smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features O=C(COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)Nc1ccc(F)cc1 646667 APRFLCYICONGJR-UHFFFAOYSA-N 432.373 5.114 0 40 IKAB O=C(CSc1nnc(CNc2cccc(Cl)c2)o1)Nc1ccc(Cl)c(Cl)c1 862999 TZXJXLUQNGAWPP-UHFFFAOYSA-N 443.743 5.373 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1N1C(=O)c2ccccc2C1=O 937081 IVDAEPNHAOFMNQ-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB COC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CC[C@H](C(C)(C)C)C2 995001 DLABSXUPCLYJJA-AWEZNQCLSA-N 439.533 5.044 0 40 IKAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(C(F)(F)F)cc1 1049643 URCBFPMQBJCRMP-NRFANRHFSA-N 426.463 6.036 0 40 IKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)c(C)c1 1254702 KVTNQWOLZLWHGZ-UHFFFAOYSA-N 433.602 6.273 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1C 1405347 VVFFLMCPINRMCO-UHFFFAOYSA-N 442.906 6.203 0 40 IKAB Cc1cccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1 1890787 VJQQROZUWQCSCJ-DEOSSOPVSA-N 427.573 6.522 0 40 IKAB Cc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 2079599 YIKIHXUCXUNDEB-KRWDZBQOSA-N 429.903 6.292 0 40 IKAB CCCCSc1nnc2c(n1)O[C@H](c1sccc1C)N(C(C)=O)c1ccccc1-2 2113790 NZTKKGMCYLJNBS-HXUWFJFHSA-N 426.567 5.245 0 40 IKAB COc1ccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc23)cc1 2340814 OUCDLMUCVYHMCX-UHFFFAOYSA-N 437.503 5.034 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 2454374 WRQFTJGWSWBXQZ-UHFFFAOYSA-N 433.508 5.365 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC[C@@H](C)C3)c2c1C 2623481 BTZSEXKFVCSJSF-OAHLLOKOSA-N 441.622 5.705 0 40 IKAB COc1cccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2-c2ccccc2)c1 2645473 QVWYBXQQMUMRIH-UHFFFAOYSA-N 441.516 5.285 0 40 IKAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 2686679 DPULSVREZRXHAH-QPLCGJKRSA-N 433.529 5.377 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCC4=CCCCC4)ncnc32)cc1 2714990 GICPNRPQZODSDX-UHFFFAOYSA-N 428.967 7.043 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)COC(=O)c1ccccc1Nc1cccc(C)c1C 3309343 XSUBUXJFAOPPTN-UHFFFAOYSA-N 446.503 5.019 0 40 IKAB CSc1nn(-c2ccc(C(=O)OCCOc3ccccc3Cl)cc2)c(=S)s1 3420446 AVDYAUOPIFFJPW-UHFFFAOYSA-N 438.983 5.274 0 40 IKAB CC1=C2C[C@@H]3[C@@H](CN[C@H]4CCCc5c4[nH]c4ccc(C)cc54)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073314 MMPRIJBNPCMKRF-UNOLVRNPSA-N 432.608 5.902 0 40 IKAB biogenic Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccccc2CN2CCCC2)c2ccccc2)c1 8229981 AEOGLKNZFRDJHL-MHZLTWQESA-N 427.592 5.369 0 40 IKAB c1ccc(Oc2cccc(OCCCCOc3cccc(Oc4ccccc4)c3)c2)cc1 8432868 ULPZZWNOMOMNOR-UHFFFAOYSA-N 426.512 7.509 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3c2C1 8439102 WXVGXEZBJLOXRD-IBGZPJMESA-N 439.621 6.700 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 8612012 OLKKSYRJILXZCH-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB C(=C/c1cccc2ccccc12)\c1nc2c(Oc3ccccc3)cccc2c2c1CCS2 8762101 FHPQUTHHRGQXRT-WUKNDPDISA-N 431.560 7.999 0 40 IKAB COc1c(C(=O)Nc2ccc(Br)cc2C)cc2ccccc2c1Br 8832263 CZHUZCFBXFYGCZ-UHFFFAOYSA-N 449.142 5.934 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904138 WZYWXSWMJPADCQ-CQSZACIVSA-N 436.335 5.889 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc4ccccc4c3)c3ccccc32)c1 8927832 YODDNQLQJFUSMZ-LJAQVGFWSA-N 435.523 5.464 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 9159310 QAIRBFFTJUHUND-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB Cc1ccc2nc(CSc3nnc(COc4ccccc4Cl)n3C3CC3)cn2c1 9198753 GSJDSVYUUPQLSV-UHFFFAOYSA-N 425.945 5.094 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)c2ccccc2SCc2c(C)noc2C)c1 9255951 NKWSOVXEXFBIRP-UHFFFAOYSA-N 426.538 5.633 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1Cc1ccc(F)cc1 9323288 VEPOLWPORILHQM-VGOFMYFVSA-N 442.693 5.184 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3cccc(Cl)c3)c(=O)c3ccccc3n2C)cc1OC 9327883 TZLRBZIEOHPUDQ-UHFFFAOYSA-N 448.906 5.128 0 40 IKAB Cc1ccc(-c2nsc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 9404016 PNHLGAMFKAOIGU-UHFFFAOYSA-N 443.903 5.917 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 9426953 DBRHDZLAWXWWEV-RUZDIDTESA-N 428.513 5.459 0 40 IKAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 9446422 UEUYOFXRFJVEFQ-HYBUGGRVSA-N 427.548 5.475 0 40 IKAB CCc1ccccc1OCCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 9456767 SAJYRBBEWCOGTR-UHFFFAOYSA-N 442.559 5.884 0 40 IKAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OC(=O)c5cccs5)cc34)oc12 9708080 QKLUJTJOKNCONA-UHFFFAOYSA-N 432.453 5.804 0 40 IKAB biogenic C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccccc1 9781013 MCDMIBHTTQBFAB-UXIGCNINSA-N 438.837 5.281 0 40 IKAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 9968788 MIEZCHLPGAAJAO-QHCPKHFHSA-N 426.545 5.607 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1NS(=O)(=O)c1ccccc1 10360076 FKQGQAJAFLIJAK-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(C)n(CCCCC[S@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 11686746 POQMHHDKXWTFHB-WJOKGBTCSA-N 432.593 5.535 0 40 IKAB CC1CCN(C(=O)Cn2c(SCCOc3ccc(Cl)cc3)nc3ccccc32)CC1 12062326 DYAKEOSAVUKZME-UHFFFAOYSA-N 444.000 5.119 0 40 IKAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 12412448 NWNQOAZCDWMOGB-AGKNDLPVSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccccc1C(F)(F)F 12440875 VKSGCPNNVJOPQA-UHFFFAOYSA-N 435.833 5.001 0 40 IKAB COCc1cc(C)nc2c1C(=O)N[C@H](c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1 12445432 XCFPCVCHWFLMCW-FQEVSTJZSA-N 446.309 5.563 0 40 IKAB COc1ccc(OC)c(-c2cs/c(=N\c3cccc(C)c3C)n2-c2cccc(C)c2C)c1 12624789 OXQKPZQFBZNADZ-DQSJHHFOSA-N 444.600 6.689 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 13116024 HXVPZCXDQUAHHH-UHFFFAOYSA-N 429.549 5.356 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2CC)cc1 13871549 WZELMRMIGRFBFT-GOSISDBHSA-N 438.597 5.348 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 14272398 CELSFIVCGLBYFH-UHFFFAOYSA-N 448.950 6.815 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 14358114 CUHIOSOWUYTHKY-FFJSRYDGSA-N 445.603 6.020 0 40 IKAB O=C(COC(=O)c1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 14360702 ZRJBTRSXKPXYCC-UHFFFAOYSA-N 430.287 5.368 0 40 IKAB O=c1oc2ccccc2cc1-c1csc(SCc2cc3c(cc2Cl)OCO3)n1 16525686 VCOFWQFCKQQNOJ-UHFFFAOYSA-N 429.906 5.591 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 17095170 XWKHNWOHRDWKNM-UHFFFAOYSA-N 426.903 7.116 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 17098675 CGWBZOHQQIJWCO-MRXNPFEDSA-N 433.939 6.414 0 40 IKAB COc1c(C(=O)Nc2ccc(Br)cc2)cc2ccccc2c1Br 17099364 VECYSKOGGBPHKM-UHFFFAOYSA-N 435.115 5.626 0 40 IKAB COc1cccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC 19567901 RGVQEEZEABERCS-HXUWFJFHSA-N 436.508 5.205 0 40 IKAB CC(C)n1cc(CN2CC[C@@H](c3c(C(N)=O)sc4ncccc34)C2)c2ccc(F)cc21 19702597 MRKXAGANNUEXDG-OAHLLOKOSA-N 436.556 5.059 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1 20105915 YJRWXLROOGYWEW-XWBFJZKFSA-N 433.551 6.450 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 20411476 FGOGQFUWGRQVAS-UHFFFAOYSA-N 444.556 6.024 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C2c3ccccc3-c3ccccc32)CC1 20530703 JDCFYWGCSKOXCE-UHFFFAOYSA-N 426.604 5.507 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCc2cccc(F)c2)C4)cc1 20610000 MGWWDOAOZFURCF-UHFFFAOYSA-N 431.463 5.002 0 40 IKAB biogenic COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(Br)o1 20611379 ZKRRDSAWJLOELM-UHFFFAOYSA-N 448.660 5.160 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cc2ccccc2nc1Sc1ccccc1 21596668 GXKMFRKRBCNVKJ-PXLXIMEGSA-N 442.927 6.384 0 40 IKAB CC(=O)N(c1nc(CSc2nc(C)cc(N)n2)cs1)c1c(C)cc(C)cc1Cl 22090417 MEVKVTQXWHUHCT-UHFFFAOYSA-N 433.990 5.071 0 40 IKAB C[C@@H]1CCc2c(sc3nc(-c4ccc(S(C)(=O)=O)cc4)cc(-c4ccccc4)c23)C1 24634757 GWXYXBJQIQHMHY-MRXNPFEDSA-N 433.598 6.159 0 40 IKAB Cc1cccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1C 28208689 XHKZBYGREVZRMJ-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Sc2ccc(Cl)cc2)sc2c1CCCC2 30873154 RAJHEKMMDQOASB-INIZCTEOSA-N 438.014 5.966 0 40 IKAB COc1ccccc1-c1noc(CNc2ccccc2C(=O)Nc2ccc(Cl)cc2)n1 32753241 SQJXKYHXYZYAMH-UHFFFAOYSA-N 434.883 5.263 0 40 IKAB Cc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCc4cc(C)ccc4C)nc32)cc1 32952663 XFNXJSCUQUAAMB-UHFFFAOYSA-N 439.631 5.733 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cc(C)cc(C)c2)cc1 33588031 TUQMFSGQUWTUMM-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB COc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccc(Cl)cc4)c(C)nc32)cc1 35288559 NYYUPOYOXKJXCE-UHFFFAOYSA-N 435.915 5.402 0 40 IKAB O=C(Nc1cccnc1)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 35679060 DTCBCDAKRQCAMC-UHFFFAOYSA-N 433.661 5.566 0 40 IKAB O=C(Nc1ccccc1)[C@@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1 40155585 YOCBZRLVVJKWPP-NRFANRHFSA-N 425.517 5.250 0 40 IKAB CCc1cc(Br)c2c(c1)N[C@@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40546024 YKGMEMSOFVXGGN-QFIPXVFZSA-N 438.325 5.459 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2C)cc1 58331341 YWMDWVJRWZCEBX-HTAPYJJXSA-N 427.504 5.094 0 40 IKAB O=C(Nc1ccc(Cl)cc1F)NC1(c2cccc(Br)c2)CCOCC1 58356978 SIVRLRGYROOEQF-UHFFFAOYSA-N 427.701 5.069 0 40 IKAB CCn1nc(C)c2nc(SCc3ccccc3C)n(Cc3ccc(Cl)cc3)c(=O)c21 64817200 CNDRMOPYCOVJRK-UHFFFAOYSA-N 438.984 5.224 0 40 IKAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc4nccnc4c3)C2)c1 69701141 JPKSZFZZASZSSN-XMMPIXPASA-N 442.906 5.283 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3nc(C(F)(F)F)ccc3c2C)sc(C)c1C 71873229 ZTRPHBVQMXOMJC-UHFFFAOYSA-N 428.457 5.341 0 40 IKAB O=C(NC(=S)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1)c1ccco1 89821538 FYNUBIMWDZHAKF-JOFILHIKSA-N 441.556 5.591 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 96117817 PQAJZABVZXRVIX-BLLLJJGKSA-N 426.369 5.499 0 40 IKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1cccc(Br)c1 97104889 ZBVKFUVCKYBTNI-WOOPDLCSSA-N 431.333 5.840 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3cccc(F)c3)C2=C(O)C1 102876677 KEOYABRPFHVFFV-SANMLTNESA-N 440.518 6.932 0 40 IKAB CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N3C(=O)c4ccccc4[C@H]3C2=C(O)C1 104164186 ZIYJEQLRLMLTIU-SANMLTNESA-N 448.522 6.337 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C=CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118927276 NQUGTZBRUBTFLM-RIACZKLLSA-N 430.629 5.942 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 216439430 CZKLVSZFOUKQRM-ZDUSSCGKSA-N 430.422 5.532 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222939003 FHEPSVQYNCAWIN-YADHBBJMSA-N 425.569 5.569 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222968618 USDGMJLUROKPLZ-QGZVFWFLSA-N 449.422 5.566 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 223104607 SBOVOMRYOLHVNH-VWLOTQADSA-N 443.006 5.837 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223409706 MANWXNVZVKNTPK-RUZDIDTESA-N 434.967 5.179 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C(C)(C)C 224175310 CTRLBYIHZMFZLL-UHFFFAOYSA-N 431.576 6.749 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224188709 ZORCYYHHMAVIEL-SFHVURJKSA-N 435.539 6.202 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 224638521 LIGWFWMNINEESO-IBGZPJMESA-N 429.004 5.338 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224659380 QPHSIOQDOVYLMT-DNQXCXABSA-N 426.545 5.688 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225415263 VGNBMEVJQDASLL-SFTDATJTSA-N 446.591 5.113 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225652169 SOJFYOFWYWWYNK-NVQXNPDNSA-N 432.649 6.034 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OC(C)C 225761127 ZTZKSSOVVBLRKR-UHFFFAOYSA-N 427.516 5.630 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2[nH]1 257263278 LPCGDYQWNMOIHF-LJQANCHMSA-N 430.939 5.607 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)C1 257324979 WQZOZQZCAQATAJ-QGZVFWFLSA-N 446.572 5.183 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cn(C)c3ccccc23)C1=O 408819839 UFOCICRTZRJXMD-QQDVTPPBSA-N 430.597 6.232 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)C1=O 409020378 OSHRBHMZJYHZIK-WORIPGKHSA-N 431.557 6.562 0 40 IKAB Clc1cccc(COc2ccc(Br)cc2CNc2ccccc2Cl)c1 409180438 SSKUMEBETFSJSG-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CC(C)(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409330132 JGRPJVDCYDDWFC-GDLZYMKVSA-N 446.594 7.350 0 40 IKAB O=C(c1ccccc1)c1nnn(Cc2c(Cl)cccc2Cl)c1C(=O)c1ccccc1 643699 IMDUHQSIMVORBP-UHFFFAOYSA-N 436.298 5.095 0 40 IKAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1cccc2cccnc12 705469 YFAJNVWJFKBYTP-UHFFFAOYSA-N 430.074 5.799 0 40 IKAB O=C(COC(=O)[C@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc(-c2ccccc2)cc1 858935 MIIDLBDLDYNGEH-VWLOTQADSA-N 449.506 5.286 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 883805 BKPGRAODWNAFJX-UHFFFAOYSA-N 441.837 5.686 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883920 RZDFBVYQOHUPBE-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1-c1ccc(C)cc1 900773 FOAWZPBTGACQGS-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccc(Cl)cc1 924525 SVPJABSKCJIWPP-UHFFFAOYSA-N 427.961 5.230 0 40 IKAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 1019498 VPHPCZJHDIRLCW-RTWAWAEBSA-N 425.912 5.020 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCC2)cc1 1224153 CQQQSPGSZPKZOM-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1371331 KWCOQSZIKZFDOF-UHFFFAOYSA-N 446.938 5.428 0 40 IKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)c1nc3ccccc3nc12 1805557 JYBVZJLFWMPHMK-XZOQPEGZSA-N 426.347 5.904 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(Cl)cc1 1927130 AXQVIGKSGKZIGK-UHFFFAOYSA-N 431.966 5.976 0 40 IKAB COc1ccc(OC)c(-c2nc(C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)c1 2131917 LVHNPJIKTSREBN-UHFFFAOYSA-N 437.499 5.330 0 40 IKAB biogenic Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2Nc2ccccc2)cc1 2158106 YDPLCGZGXXRWGE-RCCKNPSSSA-N 432.321 5.415 0 40 IKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)cc2)c1=O 2227980 RILYNZQTTVCSHX-UHFFFAOYSA-N 433.870 5.253 0 40 IKAB CCCCCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2309741 UFGLOYGJMWDBGC-UHFFFAOYSA-N 442.350 5.383 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2)Nc1ccc(F)cc1 2688360 UKRAYHFFAZUEOF-UHFFFAOYSA-N 443.503 5.710 0 40 IKAB COc1ccc(CCNC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2768878 OLSNCBRHKXYOPT-UHFFFAOYSA-N 438.571 6.081 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 3011330 HSTFIOVPTPGTFY-PKOBYXMFSA-N 448.876 6.066 0 40 IKAB CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2cccc3ccccc23)cc1 3087765 CYQIXHOAHFTYJM-UHFFFAOYSA-N 434.605 6.370 0 40 IKAB Cc1ccc(C)c(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccc(Cl)c2)c1 3284062 NZIWLXUSJMRYRG-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB O=C(CN(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1)N1CCc2ccccc21 3334943 TYGOOUZKTZICFO-UHFFFAOYSA-N 429.520 5.677 0 40 IKAB CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 3483245 QOHRQOITJHTPOS-UHFFFAOYSA-N 441.428 5.718 0 40 IKAB CN(C)c1ccc(C2c3c(oc4ccccc4c3=O)Oc3oc4ccccc4c(=O)c32)cc1 5487676 ORLCSEJVVMKUPY-UHFFFAOYSA-N 437.451 5.251 0 40 IKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Nc3ccc(Oc4ccccc4)cc3)nc2n1 8733489 JILMQZRNLHPVLW-UHFFFAOYSA-N 449.354 7.203 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 8920900 RDLMXSYGKOQUHY-FPTDNZKUSA-N 438.568 7.117 0 40 IKAB O=C(c1ccccc1)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 9146169 JJQKYALJTIFEEN-MUUNZHRXSA-N 447.559 7.725 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 9414117 MPDOWOMOQDLYTF-UHFFFAOYSA-N 426.806 5.869 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12)c1cc2ccccc2o1 9414160 CPGJZMZRABGEDV-UHFFFAOYSA-N 430.847 6.337 0 40 IKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc(Cl)c3C)c2c1 9499160 ZOKSMXJEJINDNE-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)o2)cc1 9883078 KQYNQYSKNGDKMF-NRFANRHFSA-N 445.500 5.127 0 40 IKAB Cc1ccc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667334 VHYYHWBLYUGKQW-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 11865062 SFTNRGMKKWFURV-UHFFFAOYSA-N 434.419 5.480 0 40 IKAB biogenic COc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419534 IEXARFGCFLRIIT-UHFFFAOYSA-N 430.869 5.173 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 12528064 FKUFYGKZRZDOMR-CVEARBPZSA-N 444.580 5.142 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1cccs1 12745239 NDHJFRPYEVHYHZ-UHFFFAOYSA-N 437.521 5.439 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)c1ccc(N2CCCC2=O)cc1 12876597 NJRQYFLBKSGRQE-UHFFFAOYSA-N 439.540 5.399 0 40 IKAB CCOc1ccc(NC(=O)CN(C)C(=O)c2sc3ccccc3c2Cl)cc1OCC 12895054 VYXZRPPJGMJHLO-UHFFFAOYSA-N 446.956 5.063 0 40 IKAB Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1-c1nccs1 13026749 ZIZXCMRDNURMMV-UHFFFAOYSA-N 444.585 5.865 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cc2ccccc2o1 13128133 OHTOUUCXGFMBAY-AWEZNQCLSA-N 436.512 5.135 0 40 IKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 13284039 XRQWQERTXDEQFB-UHFFFAOYSA-N 446.281 5.929 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccccc1C 13568367 BCJKDGHBRQAASG-UHFFFAOYSA-N 428.001 5.659 0 40 IKAB O=C(NCc1ccco1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686771 JDJBAJKOULPZBN-UHFFFAOYSA-N 441.512 6.044 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1OCc1ccccc1 13687138 YKLLBJDXFSSSEU-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3Cl)=NN21 13770920 ZYSNQWMPQUZZHS-NZQKXSOJSA-N 425.315 6.244 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)cc1 14074828 HCLLFNBDDCLDAP-UHFFFAOYSA-N 426.632 6.494 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CSc2nnc(N3CCCC3)n2C2CC2)cc1 14730435 LNRBMSPGVODJMB-UHFFFAOYSA-N 449.580 5.045 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1ccsc1)CC(=O)N2 15106610 LXFJGNSIUJJBCF-AWEZNQCLSA-N 436.480 5.863 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cc3ccccc3cc2O)c2ccccc2)c1 16035372 DXAZWVCJZUAHOK-RUZDIDTESA-N 439.467 5.285 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)cc1 16216593 XCJQQYUIVXQSRR-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@@]3(O)C(F)(F)F)n2)cc1 16957567 SNXRDYREUBKUGY-DYESRHJHSA-N 429.467 5.156 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c(=O)c12 17189520 PHBUZFXTAKBFTL-JSGCOSHPSA-N 440.594 5.785 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 17195758 FKAJEUFWOXAABF-OKDJJFIVSA-N 429.645 5.386 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(Br)s1 18939614 OBNIYFIGYKKYCD-OAHLLOKOSA-N 429.383 5.637 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@@H]1CCCN(C(=O)CCc3ccccc3)C1)N2 19084014 RAHNGCUXMZUGPG-HSALFYBXSA-N 444.570 5.042 0 40 IKAB O=C(NCCn1cc(-c2ccncc2)c(C2CC2)n1)c1cccc(-c2ccc(F)cc2)c1 19293282 HLNXIXXOCHLRGH-UHFFFAOYSA-N 426.495 5.059 0 40 IKAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C 22074213 OPQSEMHRXASYDQ-PYMPDBRZSA-N 442.644 5.073 0 40 IKAB CCc1cc2c(Oc3ccc(N(C)S(=O)(=O)c4ccccc4F)cc3)ncnc2s1 24057602 KVZGBINJLYFJBB-UHFFFAOYSA-N 443.525 5.010 0 40 IKAB O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)C12CC3CC(CC(C3)C1)C2 26771367 ZZPXWZXOVLNNBB-UHFFFAOYSA-N 432.955 5.743 0 40 IKAB CCN(C(=O)COc1ccc(C(C)C)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993165 GUDDZGJONMQALW-LJAQVGFWSA-N 440.587 6.617 0 40 IKAB CC(=O)N(c1ccccc1)c1nc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 28923017 KWCBWMCCOGTLMX-XMMPIXPASA-N 437.528 5.817 0 40 IKAB O=C(O)CC1(CNC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)CCCCC1 31817792 HVPOSOCSINSLRT-UHFFFAOYSA-N 441.380 5.201 0 40 IKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 33697380 VSRLAALVHZDKCA-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB O=C(CSC1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(F)cc1)Nc1cccc(F)c1 35086857 BLJSDWQOVROFGM-BKUYFWCQSA-N 449.482 5.080 0 40 IKAB CSc1nc(C)c(CCC(=O)Nc2ccccc2CN(C)C2CCCCC2)c(C)n1 40040627 DUHKLRQOLZGJGT-UHFFFAOYSA-N 426.630 5.151 0 40 IKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837341 GUFAFSORGXXAQB-UHFFFAOYSA-N 446.304 5.323 0 40 IKAB CCc1cccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc23)c1 48989340 SWOKYMNADAYYDI-KRWDZBQOSA-N 433.552 5.430 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccccc2Cl)C4)cc1 54278155 DYPWRXIISCMQPM-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB biogenic S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cccc2nccnc12 72314541 CEMLVBJBRKJDJJ-JOCHJYFZSA-N 443.963 5.831 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)CC3CCCC3)CC2)c1 72345314 XKUANGMDJGDSEW-UHFFFAOYSA-N 446.635 5.482 0 40 IKAB O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 72361054 ZPJHJYJYGURJPX-LJQANCHMSA-N 437.425 5.016 0 40 IKAB COc1cccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 97165864 FKPJBFHDESJJLJ-LJQANCHMSA-N 449.869 5.620 0 40 IKAB CC(=O)[C@H]1[C@H](c2ccc(N(C)C)cc2)C[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918160 CNXPKARYBROKAV-IPQAMJNRSA-N 435.652 5.975 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccccc1F 214325916 VUDYQYOUNVANMX-LPYMAVHISA-N 437.467 5.780 0 40 IKAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1 218800389 OAOGGEYJJPWRJB-MRXNPFEDSA-N 442.606 5.337 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC1CCCCC1 222685874 YUDOXIZEUQLGLZ-UHFFFAOYSA-N 431.001 5.914 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C 222930760 ZLIVHIRSGOYIIR-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395973 VDLIEKXWRNHCLM-DQEYMECFSA-N 440.572 5.054 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223443259 OKXOBVHMPFGVKP-RPBOFIJWSA-N 440.572 5.054 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223828585 PBZJQBBQXZTLFR-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 223871708 WUMNYRGWEBEGFM-XZOQPEGZSA-N 445.569 5.709 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1ccccc1 224087401 UOORUCQMAQJTHJ-UHFFFAOYSA-N 430.273 5.428 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224111579 WMFPGVZTVQBHRO-KRWDZBQOSA-N 447.406 5.055 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1cccnc1 224459968 GOGUSEADMKUDBF-GOTSBHOMSA-N 445.979 5.406 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(Cl)c(C)c1 224544585 NFZHKULNBWJARY-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1Cl 224954846 ILAHOPLTJXMLQK-LEWJYISDSA-N 441.000 5.477 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225164971 MVYVXCOWEJZOEE-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(Br)cc3)cc2)cc1 225533246 BCNUTQYKVAKIEZ-UHFFFAOYSA-N 445.357 5.654 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 225587717 XIZLVDJZTDRVHR-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1cc(Cl)ccc1Oc1ccccc1 225725105 YIKCBPULQJVATA-UHFFFAOYSA-N 439.298 5.739 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1cccc(F)c1 257263827 LRQWVFSNHBJOOF-UHFFFAOYSA-N 432.451 5.120 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 408555653 HTOKEKIVKLZDTR-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Br)cc1 408561927 LRLFKTPGYUIOAI-FLFQWRMESA-N 447.373 5.832 0 40 IKAB S=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408574938 NCZVPACRFWPXSG-AWEZNQCLSA-N 430.784 5.670 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccccc1Br 408714769 WPCLOQAEZMMAEU-UHFFFAOYSA-N 428.330 5.069 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1Cl 408918363 JOPPJWLZZFDWLB-ZKKFKWFVSA-N 434.322 5.396 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)N1 408985367 LPXNOIUJABQUJX-JOCHJYFZSA-N 449.595 5.562 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C(=O)NC2CCCCC2)c1C 409109964 ORFLKKFJJLDIPY-UHFFFAOYSA-N 448.972 5.201 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 409178439 IDESQDADVKTYKN-UHFFFAOYSA-N 439.349 6.545 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O 409350136 SOUVKFJVFDSYIN-PXNMLYILSA-N 439.295 5.116 0 40 IKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2cc3cccc(Cl)c3s2)cc1 585091715 CWKHVPHBFSRTOW-UHFFFAOYSA-N 435.932 6.096 0 40 IKAB O=C(N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1)C1(c2ccccc2)CCOCC1 2037845898 MTZKBRFWBPAARS-NRFANRHFSA-N 444.550 5.342 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(F)c4)o3)C2)[nH]c2ccc(F)cc12 2037846836 ZJKQKCVCGVCDSU-QGZVFWFLSA-N 435.474 5.353 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 842030 RGNXWIPNUYECGQ-NFJKTXFASA-N 434.322 5.564 0 40 IKAB Cc1ccccc1OCc1nnc(SCC(=O)c2ccccc2)n1Cc1ccccc1 916323 YXEIPCHAZJNHDX-UHFFFAOYSA-N 429.545 5.189 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 1401659 SYTZROGSLLFNAF-UHFFFAOYSA-N 430.305 5.825 0 40 IKAB CCN(CC)c1cc(C)c2cc(Cc3ccc4nc(N(CC)CC)cc(C)c4c3)ccc2n1 1701490 YXBHFGNXAAKVAP-UHFFFAOYSA-N 440.635 6.683 0 40 IKAB Cc1nc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)c2c3c(sc2n1)CCCC3 1801678 OZJSIDKXQGZSLS-UHFFFAOYSA-N 433.408 5.512 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccs2)nc2ccccc12 2068327 CIBGZCXOWOGFFJ-UHFFFAOYSA-N 432.854 6.888 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccccc2)cc1 2241048 VVEAYXVJUAHTHP-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(Cl)c1 2323921 YOHPUTXSTGQIIV-UHFFFAOYSA-N 434.952 5.533 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 2354479 DNOCEGSLBAMVAA-BLLLJJGKSA-N 430.397 5.722 0 40 IKAB O=C(Nc1ccc(Sc2ncc(C(F)(F)F)cc2Cl)cc1)c1cccnc1Cl 2562198 ULGCGHAEJJOCOR-UHFFFAOYSA-N 444.265 6.206 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 2617423 WHNLJCVAEQCLLL-MRXNPFEDSA-N 442.610 5.040 0 40 IKAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 2624025 YXVWQLJPRNTUPC-HNNXBMFYSA-N 436.562 5.124 0 40 IKAB C[C@H]1CCc2c(sc3ncn4nc([C@@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 2788952 QVNZNBZUAXDXOE-WDEREUQCSA-N 446.502 5.166 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1cccc(Cl)c1 3266422 WAZYIWFNFPATCT-UHFFFAOYSA-N 433.813 6.142 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)c4cccc(C)c4O)cc3)sc2c1 3294575 HOFILJYQBPLIKE-UHFFFAOYSA-N 432.501 5.081 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccccc2CSc2nnnn2-c2ccccc2)c(C)c1 3294589 FXUSJFOMGDYBGC-UHFFFAOYSA-N 429.549 5.132 0 40 IKAB Clc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)c1 3333479 KJOJAPGKRFZAJN-UHFFFAOYSA-N 435.936 5.668 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 3438037 GJIQCFJDGSIYMZ-NZQKXSOJSA-N 438.980 5.511 0 40 IKAB CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 5963891 YDNYDUBBAZTLTQ-LIVJDELJSA-N 444.744 7.220 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2-c2ccccc2)cc1 6246587 WYULSXRVCBYZKO-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1cccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c12 6443327 KYLMWYLXZDUYKA-UHFFFAOYSA-N 444.984 5.014 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@@H]4C3=O)c2)cc1 8451429 YBSMFSGQGIUPNU-TXKCWOHGSA-N 431.532 5.129 0 40 IKAB Cc1c(C(=O)O)sc2nc(CSc3ccccc3)nc(NCCc3ccccc3)c12 8718230 LUNFEMGRLJBCPU-UHFFFAOYSA-N 435.574 5.645 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1C 8757037 LQGFLAJPGHAATP-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@@H]2C)c(C)n1C1CC1 8887723 IGQQOBMBDOMQHO-AOMKIAJQSA-N 449.624 5.820 0 40 IKAB O=C(c1ccccc1)N1[C@H](c2ccccc2)Oc2c(ccc3cccnc23)[C@@H]1c1ccccc1 8926431 MQVOWBJKXKHVER-FIBWVYCGSA-N 442.518 6.558 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1OC 8944182 LCFNIYLOGKTILY-UHFFFAOYSA-N 426.738 5.769 0 40 IKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 8993476 FSURIVODEBZNRE-NRFANRHFSA-N 425.410 5.435 0 40 IKAB CCOc1cc(C(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc(OCC)c1OCC 9030210 CEANZPNXGGHAIM-UHFFFAOYSA-N 432.826 5.202 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3O)nc2c1 9064916 CBRFLPDPULNRTJ-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)n[nH]c1-c1ccc(OCc2ccccc2)cc1O 9130584 AEOXFEQWSOWCQQ-UHFFFAOYSA-N 440.421 6.056 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1c(Cl)cccc1Cl 9232772 AGHGNLBWJZRMII-OVCLIPMQSA-N 432.250 6.249 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c(C)c1 9250096 AFIRPTYEWBETDI-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)c1 9260862 XYFGDRCVZVEKQB-PXLXIMEGSA-N 428.513 5.337 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 9304362 XYAHVIMQWBBBKK-HGQUKEQDSA-N 448.420 5.257 0 40 IKAB O=C(O)Cc1sc(N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc1-c1ccccc1 9492122 HQGFUIPQPJEGJM-MRXNPFEDSA-N 435.530 5.447 0 40 IKAB COc1cc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc(OC)c1 9561413 YQGVRCJTPNFINV-NRFANRHFSA-N 439.874 5.748 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3)c2O1 9659759 GYOJEVLJGZBIQJ-UHFFFAOYSA-N 441.449 6.250 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(COc2ccccc2)o1 9712201 OSQGIGPKEOKKOV-UHFFFAOYSA-N 428.492 5.096 0 40 IKAB CC(C)C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9798512 CUXWJCPBCKYVMJ-NRFANRHFSA-N 438.572 5.415 0 40 IKAB COc1ccc(C(C)=O)cc1CSCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9882230 WJEDJJCRVRKQOH-UHFFFAOYSA-N 431.863 5.442 0 40 IKAB COc1ccccc1-c1c(C(C)C)nn2c3c(nnc12)C(=O)C[C@@H](/C=C/c1ccccc1)C3 10156966 DQGGUGFEYNSYIG-KQDNUWKFSA-N 438.531 5.382 0 40 IKAB CCSc1ccc(CC(=O)N(Cc2ccncc2)c2nc3c(OC)cccc3s2)cc1 10254391 MNEMESWAEDFWKO-UHFFFAOYSA-N 449.601 5.588 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 10330514 VWVHSCXMYDSSGG-UHFFFAOYSA-N 436.577 5.238 0 40 IKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OC(=O)c3cccs3)cc12 11866278 PVNKFBYYKMPKNO-UHFFFAOYSA-N 441.302 5.812 0 40 IKAB biogenic Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)[C@H](C)c4ccccc4)CC3)c12 12133574 DZABOZBDSFPOJQ-LJQANCHMSA-N 446.595 5.337 0 40 IKAB COc1cccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1OC 12344204 SVPAPHYYNSSQOD-FQEVSTJZSA-N 446.334 5.449 0 40 IKAB COc1cc(/C=C/C(=O)Nc2c(C(C)C)cccc2C(C)C)cc(Cl)c1OC(C)C 13041006 VBPNOOOHUTWFMD-VAWYXSNFSA-N 429.988 7.035 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(F)c1 13502420 NQPDPQHEMBGMCZ-XMMPIXPASA-N 431.511 5.058 0 40 IKAB Cc1cccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)c1 13513918 DFTKTTMGEXUIAF-UHFFFAOYSA-N 435.999 7.180 0 40 IKAB COc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 13893272 LOZAEEASPLQKIE-UHFFFAOYSA-N 444.534 6.430 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(Cl)cc3)ccc21 13942133 WFLLQEOVABWJEG-UHFFFAOYSA-N 435.911 5.062 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1Br 13981957 UFOSVFWSIXIDSZ-UHFFFAOYSA-N 435.115 5.382 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Cl)cc1Cl 14070112 BPZALJXAMBRNAQ-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 14141797 AINSRFFYYAAAHI-INIZCTEOSA-N 435.574 5.448 0 40 IKAB Cc1nn2c(nc(NCc3ccc(C(=O)N4CCCCC4)cc3)c3ccccc32)c1Cl 14240339 PYOYZLFQXODWJL-UHFFFAOYSA-N 433.943 5.083 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4)cc3n2)c(C)c1 14272795 CAJNKWUZZYFXGB-UHFFFAOYSA-N 443.551 5.144 0 40 IKAB O=C(C[C@@H](c1ccccc1)N(O)[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 16477328 DYHLOJFRBWLQOT-HNRBIFIRSA-N 449.550 6.706 0 40 IKAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17094691 CIVIIJNBFUUJDV-UHFFFAOYSA-N 425.985 5.462 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 17099184 AINNUYXQHNYVNC-UHFFFAOYSA-N 434.609 5.052 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1ccccc1Cl 17099405 QJYHEGNDLRCARS-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB CC12[C@H]3c4cccc5cccc(c45)[C@@H]3N([C@@H]3c4cccc5cccc(c45)[C@H]31)N2c1ccccc1 17185764 IDPUIWYSFAENMW-ZOLPILHQSA-N 436.558 7.479 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc1 19450710 VLHCQVLOEULYQD-IBGZPJMESA-N 439.556 5.000 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 19632364 VYNQNVUIRSVWBE-WOJGMQOQSA-N 440.587 7.012 0 40 IKAB COC(=O)c1sc2cc(NC(=S)N3c4ccc(F)cc4CC[C@@H]3C)ccc2c1Cl 19648342 LALNJPKXGVYOMP-NSHDSACASA-N 448.972 6.019 0 40 IKAB COCCOc1ccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)cc1 19691206 UZALVIJESLUGMN-UHFFFAOYSA-N 448.538 5.241 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c2ccccc2)cc1 20450757 TVSIYSHEFIBLMM-GDLZYMKVSA-N 432.567 6.077 0 40 IKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C[C@@H]1CCCN2CCCC[C@H]12)C3 20763608 VJJJBNQJHYLWDK-XUZZJYLKSA-N 444.575 5.185 0 40 IKAB biogenic O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)c(Cl)c1 21577181 SRUWPQCKSRFYPA-UHFFFAOYSA-N 426.344 5.250 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(F)ccc3C)nnc2-c2ccccc2)cc1 21751969 GAKGGMYWKOGDDS-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1CCCN(Cc2ccccc2)C1 30943148 YIDYTNLZSCERGY-NRFANRHFSA-N 432.951 5.422 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 33068086 VABJIOJJDACSQT-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB CCn1cc(-c2nc(-c3ccccc3)no2)c(=O)c2cc(F)c(N3CCC(C)CC3)cc21 33256019 PTEZGQDLLGTEQH-UHFFFAOYSA-N 432.499 5.114 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1 33392772 IEPDMQSPDKBPAP-ZDUSSCGKSA-N 435.380 5.388 0 40 IKAB CC1CCN(C(=S)c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)CC1 35176018 HKGQATHYKOVWNE-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 44842416 OLHSLORWHSTWER-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB c1ccc(-c2csc3ncnc(N4CCN(Cc5cccc6cccnc56)CC4)c23)cc1 57378885 JFFZDMNLVKXSEB-UHFFFAOYSA-N 437.572 5.229 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 59477575 NYPVTEXNASQRID-NTCAYCPXSA-N 440.886 7.060 0 40 IKAB COc1cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc(OC)c1OC 67245110 DTWLEFNCDUCNPN-UHFFFAOYSA-N 434.517 5.484 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 67297028 KOILSQFRYOMSPN-NFFVHWSESA-N 438.405 6.125 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)sc2c1CC[C@@H](C)C2 67339871 DTHMZXKZKWWGKU-DNGMOHDESA-N 439.533 5.456 0 40 IKAB CCOc1ccc(-c2cc3c(=O)n(Cc4cccc(C(F)(F)F)c4)ccn3n2)cc1Cl 72329628 ZHNMUMQESFGEJN-UHFFFAOYSA-N 447.844 5.282 0 40 IKAB Cc1nc2sccn2c1CN1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 72392026 HQBBWMUWAUNMRS-UHFFFAOYSA-N 434.512 5.405 0 40 IKAB COc1ccc(-n2ccc(C(=O)Nc3ccccc3SC[C@H]3CC3(Cl)Cl)n2)cc1 83952410 IMOARSUGPOGTNR-CQSZACIVSA-N 448.375 5.419 0 40 IKAB c1ccc(C(c2ccccc2)c2nnc3sc(C45CC6CC(CC(C6)C4)C5)nn23)cc1 95481704 RYEZDIRGQRNPFX-UHFFFAOYSA-N 426.589 5.834 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 101642657 MWHQGYKRJHROFV-HEXNQTKTSA-N 445.563 5.447 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 106993681 FPKNMTZKHVZRFL-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 222504585 VOVKOAMVKQCWEA-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 222841483 KBATUKIETVIYPJ-PMACEKPBSA-N 441.398 5.016 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222984634 YFHWGMHGEYQVCZ-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Cl)c(C(=O)OC)c3)ccc21 223833909 CRBXMUUKGQGXTR-UHFFFAOYSA-N 442.924 5.055 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224271377 PERGMMMDGBGMJQ-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 224296160 MJGGCPLPENUGTK-DNQXCXABSA-N 428.561 5.318 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224426112 XOOXGOMCKFKLHD-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)(C)C 224512457 QFXBUCDRKWBZLH-UHFFFAOYSA-N 447.575 6.531 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1F 224906773 UDDXMRHUBGWRIE-RPWUZVMVSA-N 446.526 5.636 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225123639 JXGWJRPBLADBBS-SANMLTNESA-N 434.624 5.411 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225132033 NZHIQFIBHOXKIF-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225217681 KQGJSPOKUZXPTK-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225545132 VRGJERFLODJTND-OAQYLSRUSA-N 438.587 5.920 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl 225631215 NULKUVUCBQPOEI-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(OCc2ccccc2)cc1 225808694 VXGMTZQNFFXSQW-UHFFFAOYSA-N 433.895 5.540 0 40 IKAB CCOC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359407 VXOYJNSSXQLKHE-UHFFFAOYSA-N 442.025 5.667 0 40 IKAB O=C(Nc1cccc2ccccc12)[C@@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408528556 GNEBCELMGOUGRL-JOCHJYFZSA-N 444.556 5.032 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1 408768512 GPWYHHZPMOJYLG-UHFFFAOYSA-N 428.351 6.113 0 40 IKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408820352 XCDIGYLYIOODMQ-GDNBJRDFSA-N 438.730 5.742 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC(C)C 408902344 NCUAIURXOQZHCZ-GZTJUZNOSA-N 448.338 5.486 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409025245 SHFHKVLAXMKMHB-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)cc2OCC)c2ccccc21 409109330 BSZMSPLEFQJWLX-ATVHPVEESA-N 430.342 5.544 0 40 IKAB Cc1ccc(C(=O)CN2C(=O)S/C(=C\c3cn(CC(C)C)c4ccccc34)C2=O)cc1 409132513 YJXDICYPOCTDSS-FMCGGJTJSA-N 432.545 5.525 0 40 IKAB O=C(COC(=O)c1ccc(Cn2nnc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1 409180757 VGHKWDAAUNSQIN-UHFFFAOYSA-N 447.494 5.186 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3cccc(CC)c3OC(C)(C)[C@H]2C[C@@H]1C(=O)O 585264504 FETLKCAXVMTCBU-FZZWXMEGSA-N 438.564 5.599 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2C1 661875 FSUBECGICZSEPZ-NSHDSACASA-N 430.371 5.408 0 40 IKAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 673826 BDRJBIBMMOPNCV-DGCLKSJQSA-N 432.899 5.130 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2Cc2ccccc2)cc1 874090 OVJDNRAHBWKWNS-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 881258 GHHQNJYMALKJES-TZMCWYRMSA-N 425.579 5.138 0 40 IKAB COc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1 1221427 CCTZLKIWVPBHPS-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CN(C)C=C(C(=O)Nc1cc(Cl)cc(Cl)c1)C(=O)Nc1cc(Cl)cc(Cl)c1 1400401 QNFXSUOPZDPUFX-UHFFFAOYSA-N 447.149 5.323 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)c3c2[C@@H]2c4c(ccc5ccccc45)OC[C@@H]2CO3)cc1 1401546 NWSNXJLXBDTGHR-BWKNWUBXSA-N 430.507 6.225 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc32)cc1 1447744 JZHYGSMCUBOIET-RTBURBONSA-N 428.536 5.100 0 40 IKAB C[C@@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)OCc1ccccc1 1904885 HWOUMCYAHJFRHM-MRXNPFEDSA-N 434.875 5.624 0 40 IKAB CCCOc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(C)cc4C)c(=O)c23)cc1 1911998 CDCKMCPMSJPWFD-UHFFFAOYSA-N 447.560 5.169 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)nc2c1 2126236 FBHOHDSPHXTSJC-UHFFFAOYSA-N 446.959 7.739 0 40 IKAB O=C(c1cc2ccccc2o1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc(Cl)cc1 2740564 GEFFDBJNLMUDCW-VWLOTQADSA-N 426.903 6.355 0 40 IKAB COc1ccc(CNc2nc(SCC(=O)c3ccc(Cl)cc3)nc3ccccc23)cc1 2948824 QEDRPRROQBMECT-UHFFFAOYSA-N 449.963 5.879 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCc2nc3ccccc3s2)c2ccccc2)c1 3241051 MIHIXWDHJVNSTI-VWLOTQADSA-N 444.556 5.769 0 40 IKAB O=C(OCc1ccccc1F)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 3296246 KETJITHKRVQJBA-UHFFFAOYSA-N 444.245 5.290 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c1C 3316159 LIVOXTTWMBPOPE-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 3455942 ZADCUUORIWOZFR-UHFFFAOYSA-N 429.523 6.382 0 40 IKAB CCCSc1nnc2c3c(nc(SCc4ccccc4)n12)-c1ccccc1CC3(C)C 3766989 DSUHAKJLZQMFSB-UHFFFAOYSA-N 446.645 6.419 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2)c1C 8435621 DHJKRDFSIQWCIE-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB Cc1cccc2sc(NC(=O)c3sc4nc5c(c(C(F)(F)F)c4c3N)CCC5)nc12 8783656 APLUJYVEGWUJNV-UHFFFAOYSA-N 448.495 5.556 0 40 IKAB CCCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCC2 9019638 XCTJVRZCDKNTPM-UHFFFAOYSA-N 449.605 5.197 0 40 IKAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)C[C@@H](c2cccs2)C4)cc1OC 9290223 FZQIOQXUEAHZCW-INIZCTEOSA-N 447.560 5.511 0 40 IKAB C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 9348763 WXOFSVGQZXAZRK-YKILCQELSA-N 444.574 6.819 0 40 IKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2C)cc1O 9409761 OXNHSUBFKLDPII-UHFFFAOYSA-N 428.488 5.928 0 40 IKAB biogenic COc1ccc([C@H]2CC(=O)N(CC(=O)c3ccccc3)c3ccccc3S2)cc1OC 9414553 AQQBNYKPSQAXJP-XMMPIXPASA-N 433.529 5.157 0 40 IKAB CSc1ccc(CN(C)C(=O)/C=C/c2ccc(OCc3cn4ccccc4n3)cc2)cc1 9638204 LXNGYUIUSCBMPU-XNTDXEJSSA-N 443.572 5.307 0 40 IKAB Cc1ccc(CN(C)C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)o1 9863697 ODAKKEREPOARAP-UHFFFAOYSA-N 444.988 5.366 0 40 IKAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(Cl)cc1 10080377 FZXOIGYRBRGNLW-KNQAVFIVSA-N 430.932 5.014 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658696 TWLZRTQILHSXTK-GFCCVEGCSA-N 447.442 5.198 0 40 IKAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)cc1Cl 11443866 VNFCRFNUNUFMLH-QMMMGPOBSA-N 430.259 5.670 0 40 IKAB COc1cc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1C(C)C 12445191 JCZCIEOAGQDLQP-UHFFFAOYSA-N 444.600 6.178 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1 12487908 NKLGQHLHFBMMOF-UHFFFAOYSA-N 427.529 5.539 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2C)cc1 12493846 LQBSNZWVBPKCOT-UHFFFAOYSA-N 442.990 6.964 0 40 IKAB Clc1ccc2c(Sc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)ccnc2c1 12553479 WALJLTPABKCCHH-AWEZNQCLSA-N 428.970 5.538 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 12755642 TYWCELCBAAWROI-AWEZNQCLSA-N 425.583 5.453 0 40 IKAB CC(C)Oc1ccc(C(=O)COC(=O)CSc2nc3cc(Cl)ccc3s2)cc1 12858997 DXSLGSRLBXJELW-UHFFFAOYSA-N 435.954 5.255 0 40 IKAB Cc1ccccc1NC(=O)Cn1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 13071616 AYZRFGQXSYCODP-UHFFFAOYSA-N 440.330 5.869 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)c1ccc2c(c1)CCC2 13118000 QCPZQMSSLJTXMT-LBPRGKRZSA-N 428.355 5.086 0 40 IKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1C 13284018 MUBNWAQIRCBPFU-UHFFFAOYSA-N 439.890 5.892 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 13564192 AWRQZCOGPCRLAZ-KNQAVFIVSA-N 427.342 5.278 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13777307 ORTBOYKLHTYEIZ-GJZUVCINSA-N 446.934 6.434 0 40 IKAB COc1cccc(-c2nc(Oc3ccc(Br)cc3C)c3ccccc3n2)c1O 13811459 YVBKXDCNWAWRNY-UHFFFAOYSA-N 437.293 5.874 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OCc1ccccc1Br 13924928 MDDDXDOCDQFQIV-ZHZULCJRSA-N 434.289 5.373 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14070198 VIHRUGJIFVHYSH-ZDUSSCGKSA-N 435.380 5.241 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14396347 NWRIFCPLRQXCBK-HNNXBMFYSA-N 440.436 6.108 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc4oc(C)nc4c3)c3ccccc3n2)cc1OC 15625460 RBBFZFMLHUNHPT-UHFFFAOYSA-N 439.471 5.621 0 40 IKAB CCOc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CC[C@H](C(C)(C)CC)C3)N1 15946156 RBTXLRLOHAHMCJ-XDHUDOTRSA-N 448.632 7.270 0 40 IKAB O=C(N[C@@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccc3ccccc23)CC1 16698981 FKQZRLIRCASIJE-HSZRJFAPSA-N 430.573 5.045 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccccc2)cc1 16789318 JXGMNTYLRCQJJL-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB Cc1cccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1 17027314 AAWPAGOKEBWXSG-UHFFFAOYSA-N 431.355 5.679 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(CSCc2ccccc2Cl)s1 17045021 GSAZYPSYFGQJCH-UHFFFAOYSA-N 425.366 5.922 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3c(F)cccc3F)CC2)n1 19084718 NGMBPWCTHRWDQX-UHFFFAOYSA-N 436.506 5.134 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20106474 CVGQLSCYTMGJEX-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20530539 CGLQGULSSYTQBG-UHFFFAOYSA-N 435.936 5.864 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)ccc1Cl 20610676 NSKYGSFXMKSKBH-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB O=C(c1ccc(COc2cccc3ccccc23)o1)N1CCC(Cc2ccccc2)CC1 23358691 SKMGDLNWBJNMGG-UHFFFAOYSA-N 425.528 6.107 0 40 IKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 26460658 AYNHOYAJONSUEY-KRWDZBQOSA-N 436.364 5.621 0 40 IKAB COCCCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccccc1Cl 32908182 RRSHZSHIJRYIBW-UHFFFAOYSA-N 447.973 5.039 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1sc2cc(Cl)ccc2c1Cl 33668028 CJRUUTARORFAKG-UHFFFAOYSA-N 431.753 5.694 0 40 IKAB CCCCOc1ccc(/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)N=C2O)cc1OC 35224760 QEDYQUYCPNXGGT-GZTJUZNOSA-N 428.872 5.034 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 38652855 WXERCCKJWYDSHZ-UHFFFAOYSA-N 428.579 5.257 0 40 IKAB Cc1ccc(C(=O)C2CCN(Cc3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c(C)c1 40086187 TWKHLHVEBADMKA-UHFFFAOYSA-N 443.469 5.467 0 40 IKAB COc1ccc(OCc2ccccn2)c(/C=C(/CCC(=O)O)c2nc3ccccc3s2)c1 58157964 KVLSEZUXLRATQS-VKAVYKQESA-N 446.528 5.684 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)c1ccccn1 72370663 XDQLWXCEVMYIQL-SFHVURJKSA-N 435.593 5.062 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302571 CDYLQCIGJAGOQL-IRLDBZIGSA-N 436.552 5.574 0 40 IKAB in-vitro COc1cc(CN2CCC[C@H](n3nccc3C(F)(F)F)C2)cc(Cl)c1OC(F)F 95995875 LQFBDWBMRAXMPJ-LBPRGKRZSA-N 439.812 5.002 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 101133842 QMPCFFAWGGZZJL-SDHOMARFSA-N 440.543 5.344 0 40 IKAB Cc1ccc(NC2=C[C@H](c3cccc(Br)c3)N(c3ccc(C)c(C)c3)C2)cc1C 103679141 SSTVIUQNOWUSES-AREMUKBSSA-N 447.420 7.240 0 40 IKAB Cc1cccc(C(=O)N[C@@H](c2nnc(SCc3ccc(Cl)cc3)n2C)C(C)C)c1 107722597 PCXKZVVFPTZRDK-LJQANCHMSA-N 428.989 5.196 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223343099 JPYMMQHCZRLZKW-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 224426398 VPWCSPBZCLJJRT-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224812747 ZKWLWDUXGZCOJP-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225014077 DNCANFOOMKOBAW-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225459992 GPOUUXWNQYPBQR-AVRDEDQJSA-N 447.044 5.295 0 40 IKAB CCCOc1ccc(C(=O)O)cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2ccc(Cl)cc2)O1 257321310 WBBZUHATAQWHKU-ZDXQCDESSA-N 445.943 5.315 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 260843355 QSSYGAMKRJMJQA-NZQKXSOJSA-N 441.015 5.751 0 40 IKAB COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1c(Cl)cccc1Cl 408576767 RASGOWMWBMZHTC-CYBMUJFWSA-N 426.365 5.025 0 40 IKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)c1 408603201 BLKNJYXSJCXRFU-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 408622371 PBEPDXSZQOFGHO-QNQZFDRPSA-N 425.912 5.210 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408626035 ZCWWWFIPUXXNJK-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)c1C 408694643 LFCYJNIBYQKEBV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409117952 PNYZBFRJMAQTCJ-UHFFFAOYSA-N 426.310 5.647 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C1\Sc2ccccc2NC1=O 409118333 PYLBMXYRVXMAFX-AUWJEWJLSA-N 441.144 5.306 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cc1 585169164 LGDPWEFXTDDUKT-JOCHJYFZSA-N 445.563 5.308 0 40 IKAB CCOC(=O)c1cc2cc(NC(=O)c3cc(-c4ccccc4)c(C)nc3O)ccc2s1 610540072 QYIZKKJKOZWUIH-UHFFFAOYSA-N 432.501 5.406 0 40 IKAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NCC(C)C)ccc21 643575854 PLMCDJPYNQEEAL-UHFFFAOYSA-N 429.649 5.238 0 40 IKAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CCCN(C(=O)C(C)(C)C)C2)ccc1Cl 2037905525 WMZDEXDFIPMGRA-VWLOTQADSA-N 449.035 5.085 0 40 IKAB 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(C)CCc2ccccc2)C1 2049238418 QXDFHJAYYMOLSW-YAGPUWFZSA-N 436.680 7.600 0 40 IKAB CSc1ccccc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 918032 NUWNUPKELFGHDH-UHFFFAOYSA-N 439.484 5.598 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1353226 DXJDPQNSLLBZCM-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccccc1-c1ccccc1 1764415 DOIMMVIRDRVFHE-UHFFFAOYSA-N 437.109 6.768 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3ccccc3C)cc12 1798897 JOADSYZPCLILCV-UHFFFAOYSA-N 445.353 6.557 0 40 IKAB biogenic c1ccc(CSc2nc3c(c(N4CCCCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 2222272 YNBHGTREDSPOOU-UHFFFAOYSA-N 441.644 6.794 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCCO3)cc1 2256345 QCHTXEWSTBFGOX-UHFFFAOYSA-N 436.515 5.704 0 40 IKAB CCCCCn1c(O)c(C(=O)Nc2ccc(C)cc2Br)c(=O)c2ccccc21 2290429 DQWDHNPRVIMQHX-UHFFFAOYSA-N 443.341 5.221 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc2ccccc2c1 2359086 NVHCJNOULMMCIK-UHFFFAOYSA-N 426.501 5.110 0 40 IKAB CCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 2418775 FFTGOCHPKNQAEV-UHFFFAOYSA-N 432.571 7.026 0 40 IKAB CCCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2427572 GUBXHMDQIISAQX-UHFFFAOYSA-N 434.942 7.186 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(OC)c(OC)cc32)c1 2691375 PMSDTXNXFBLKLU-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(CCCN(C)C)C3=O 2704257 HSYMGPNDNYBEEU-XMMPIXPASA-N 432.564 5.030 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2754051 JOZOZSBJSQNMKR-AWEZNQCLSA-N 438.549 5.654 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 3012819 LJYHGXUHYGLEGL-ROUUACIJSA-N 436.522 5.796 0 40 IKAB C[C@H]1C[C@@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1 3179120 WWALZUPRANOMKH-PTYHNJSWSA-N 434.347 7.717 0 40 IKAB CCOC(=O)c1ccc(NC(=S)c2c(C)c(CCc3ccncc3)n3ccccc23)cc1 3235404 IYXGENANTXCYFG-UHFFFAOYSA-N 443.572 5.392 0 40 IKAB COc1ccc(-n2c(SCCCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1 3327606 OYUJOKWFFXSLFB-UHFFFAOYSA-N 447.535 5.837 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2c(Cl)cccc2Cl)c1C 3360945 CZEARIUONLXZAY-UHFFFAOYSA-N 443.330 6.149 0 40 IKAB CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)[C@@H]2[C@@H]1OC3 4721049 BZNIIOGSANMIET-UNGYRXSUSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1 8439146 CBICWRWLDBJFHZ-CIAFOILYSA-N 433.533 5.206 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 8753183 WXXBQLAHEYOXNH-LJQANCHMSA-N 429.495 5.083 0 40 IKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O 8754665 HCUNIPXDAAYSAZ-SFHVURJKSA-N 439.987 5.663 0 40 IKAB CCN(CC)c1ccc2cc(-c3csc(Nc4cccc(Cl)c4)n3)c(=O)oc2c1 8916837 OFQXHCXTFCVZBZ-UHFFFAOYSA-N 425.941 6.160 0 40 IKAB COc1ccc(CN(C(=O)CC[C@@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 8917830 HFCXICIWIFMKPP-AREMUKBSSA-N 441.568 5.469 0 40 IKAB biogenic C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1 8987317 AYBYRTOJDOGWIN-KRWDZBQOSA-N 443.528 5.086 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1 9041350 QCMNZZNVOOTKIY-BDYUSTAISA-N 444.531 5.733 0 40 IKAB Cc1c([C@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 9308881 OCNHOKFBEGVRGQ-LEAFIULHSA-N 436.599 6.558 0 40 IKAB O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 9344191 CLHYMQKOPMMEGF-UHFFFAOYSA-N 426.806 5.869 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 9426297 LRLPCOSCNDTDAO-XMMPIXPASA-N 435.354 7.097 0 40 IKAB O=C(CSc1ncnc2ccccc12)N(Cc1ccccc1)c1nc2c(s1)CCCC2 9584591 ODABLPDZDYTATI-UHFFFAOYSA-N 446.601 5.291 0 40 IKAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCO2 9616426 FAXSVWLDGVECGZ-HNNXBMFYSA-N 431.517 5.055 0 40 IKAB O=C(Nc1ccccc1Cl)C(=Cc1ccc(F)cc1)C(=O)Nc1ccccc1Cl 9664813 JDTAEUVOPJTBPT-UHFFFAOYSA-N 429.278 5.793 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 9665704 VLRPGLZZECQOTK-UHFFFAOYSA-N 432.524 5.172 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10689570 CDUGTELWNHGOKY-HSZRJFAPSA-N 437.568 5.782 0 40 IKAB Cc1cccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1C 12140475 MVWNBDFCBSEMFB-UHFFFAOYSA-N 428.355 5.254 0 40 IKAB CCc1ccc(-c2n[nH]c(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n2)cc1 12885288 JLTFYJWIPQEFCZ-UHFFFAOYSA-N 442.588 5.374 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2C)c1 13134134 SRAXQFGHIYQHKX-UHFFFAOYSA-N 446.532 5.014 0 40 IKAB COc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498380 CVNAXNNLEKWLGB-VWLOTQADSA-N 448.588 5.133 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccs2)c(-c2cccs2)n1 13566458 RSRKNBYOWZDMTH-UHFFFAOYSA-N 448.598 6.093 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)Cc3ccccc3)s2)cc1 13655571 VMGQQDGBYBMKHU-UHFFFAOYSA-N 443.528 5.252 0 40 IKAB CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 13671530 PDLAXSYFXANGON-AREMUKBSSA-N 446.572 5.154 0 40 IKAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccccc2Cl)n(C(C)C)c1C 13692679 LTJBVTGUDDGIRT-UHFFFAOYSA-N 430.957 5.424 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 15317946 WLEJROOPHDOLSU-UHFFFAOYSA-N 432.376 5.189 0 40 IKAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC 16033828 FHCDSSAQYVTDRX-RZPHLTDDSA-N 445.987 5.234 0 40 IKAB biogenic,in-vitro COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(OC)c2)cc1 16789138 BHPSDRKJSQZBDM-UHFFFAOYSA-N 443.532 5.120 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16806129 MSDIWRQNIGBXAP-XMMPIXPASA-N 440.499 5.262 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c(C)c1 16844938 OSDBPEBEZHDHIJ-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c(OC)c1 16944821 FFDIMRHMHSLIRD-UHFFFAOYSA-N 434.970 5.602 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)c(-c3ccncc3)c2c1 19220268 NJJADLMIESRWEH-HXUWFJFHSA-N 441.579 5.415 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2cccc(OC)c2)n1 19525588 OMLVIAFSMMQVMM-NRFANRHFSA-N 434.540 5.077 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 20611278 FKOZKHIKIZZJFS-VGOFMYFVSA-N 426.520 5.513 0 40 IKAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCc1ccccc1Cl 22074255 DFIOTJMDQOVUIG-UHFFFAOYSA-N 438.793 6.112 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22182802 ZOYLCBLHKPYIMT-UHFFFAOYSA-N 432.376 5.075 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1 22245383 JRQNBUHKHGDCEZ-UHFFFAOYSA-N 427.573 6.062 0 40 IKAB COc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cs2)c1OC 22990575 BZWAYWHBVABBLH-UHFFFAOYSA-N 442.846 5.752 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)/C(=C/c1ccc(F)cc1)c1cccs1 23880791 DYAHCDSRJYUSOW-GHRIWEEISA-N 441.478 5.831 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1 28289197 TZBWGPUQPSMBCB-QHCPKHFHSA-N 432.608 6.222 0 40 IKAB C/C=C/c1ccc(OCCn2c([C@@H]3CCCN3C(=O)CC)nc3ccccc32)c(OC)c1 31903362 QDGXZHLXVZKILL-DGOUCMFKSA-N 433.552 5.231 0 40 IKAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccccc3Nc3ccccc3)n2)cc1 32124938 FQLPCFJLJKNFCO-UHFFFAOYSA-N 443.528 5.658 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1cccc(C)c1 34896616 MMNWBGOMPYBFBU-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB Cc1cc([C@@H](C)NC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 40074251 UABATSUXJTVQQW-XIKOKIGWSA-N 427.397 5.304 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44855326 OAAGBHZUELTVFN-DENIHFKCSA-N 426.988 5.279 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCc3ccccc32)cc1 44899952 BCRLXJKQYAJHKN-UHFFFAOYSA-N 430.857 6.174 0 40 IKAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)c1cccc(F)c1 48279718 ACXVOZBPXCPOPG-UHFFFAOYSA-N 447.432 5.282 0 40 IKAB CC(C)c1noc(-c2ccc(NC(=O)N[C@@H](C)c3cccc(Br)c3)cc2)n1 58342800 MGGHIRKPHOIZBE-ZDUSSCGKSA-N 429.318 5.505 0 40 IKAB CC(C)c1ccccc1N[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 59121224 XXZBHNZCQPDXEY-QHCPKHFHSA-N 428.985 5.595 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1nc2cc(Cl)ccc2n1C 60211847 CJIPSAMPLWJGFW-UHFFFAOYSA-N 426.929 5.376 0 40 IKAB O=C(c1ccc(Cl)cc1)C1CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1 64027208 HXHAQBZSYAWRJP-UHFFFAOYSA-N 433.360 5.785 0 40 IKAB O=c1c2sccc2nc(SCc2cc(F)ccc2F)n1CCc1ccc(Cl)cc1 71327663 PLHVIFQJPKYRSL-UHFFFAOYSA-N 448.947 5.925 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C[C@@H]3C=CCC3)CC2)c1 72345322 LRCLRXNETSGHEW-HSZRJFAPSA-N 444.619 5.258 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccccc4Cl)C3=C(O)C2)cc1OC 102677900 BLNRWUQIUHBDEJ-JLCFBVMHSA-N 436.899 5.014 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 106682629 JXTIKWMEDPXWPZ-UNOMPAQXSA-N 441.961 6.629 0 40 IKAB Ic1cccc2c1sc1c(I)cccc12 113650055 OWLKNRBIFGYQMR-UHFFFAOYSA-N 436.055 5.264 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCO)CC[C@]4(C)[C@H]3CC[C@@]21C 118931684 NPYXBHZQVNRAOF-VFGXHBSASA-N 430.717 7.405 0 40 IKAB COC(=O)CC[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 122618828 XHQVLSIVZIPGLE-KXKMLXBFSA-N 446.628 5.345 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214774451 RNQWBCBFYXWZKI-VIZOYTHASA-N 433.143 6.537 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(c2ccccc2)c2ccccc2)cc1 223076917 HNNUEMZWZUSIHJ-PLRJNAJWSA-N 436.511 5.265 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223416666 RINRAOIEPJBLOR-BJKOFHAPSA-N 432.593 5.180 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223809191 FYYFCNKOMGPKKG-HSZRJFAPSA-N 429.004 5.223 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1 224114802 FUQIYNZOYIDLMH-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 224212180 ISQPJUWTIBGPNO-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)c(C)c1 224943690 AZNOOBWEUBCGIJ-WOJBJXKFSA-N 441.398 5.151 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225005018 OIZCGXZETIJSHG-DEOSSOPVSA-N 438.637 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225138942 PQDIQVINSBSECI-SFHVURJKSA-N 433.017 5.156 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225580144 HPFVJSBXNXRRHX-BKMJKUGQSA-N 436.640 5.773 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225723236 SVGGSXVGFJCQSV-JTSKRJEESA-N 449.422 5.566 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)c1 225871188 DDZKWPNOQBGESE-UHFFFAOYSA-N 449.664 5.853 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)cc2C)c1 408699900 WWONCRZJJNDLAI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCCN1C(=O)Oc1ccccc1 408736381 BJJQAPANCISJHE-GOSISDBHSA-N 427.913 5.065 0 40 IKAB COc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)cc1 408748448 AKSIBKVFRGNBJF-ROUUACIJSA-N 438.574 5.277 0 40 IKAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 408961701 USCOTDGLKHOWQZ-STZFKDTASA-N 437.952 5.433 0 40 IKAB O=C(Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1)c1ccccc1 408991070 MOBMMUOHGMJRQC-SZLSCVSRSA-N 439.511 5.901 0 40 IKAB O=C(COC(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(C2CCCCC2)cc1 409002507 NZSARMCMNRKZLC-XMMPIXPASA-N 449.547 5.261 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(C)cc1 409118218 PFKXAJRBWUILHW-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 409177457 FGEXDYOGCZYKLU-UHFFFAOYSA-N 439.305 5.376 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccccc3Cl)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264744 KZNVTCYQDQHIOE-HTUUBCJYSA-N 444.955 5.860 0 40 IKAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(C(=O)NCCC(C)C)ccc21 643573829 YYMCCDKSJFOQEA-UHFFFAOYSA-N 443.676 5.628 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(C(F)(F)F)cc3)CC2)cc1 663828 ZYCGSYDRFQBKNL-UHFFFAOYSA-N 432.486 5.494 0 40 IKAB CC[C@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 670429 FSONJZZLZZCRID-VIFPVBQESA-N 431.245 5.250 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 848994 AFJMDPZRUJLZQF-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)o2)c1 882355 IXIBKWUMMAFDSG-UHFFFAOYSA-N 443.528 5.301 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)Nc3cccc(C)c3C)C3CCCC3)cc2c1 920206 SWWYXHLNMBZBHK-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2cc(C)ccc2[nH]c1=O 1224970 WQKNUHQTFWLQTQ-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB CC[C@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c21 1407713 DSCCTLQRRFTYSE-HSZRJFAPSA-N 439.968 5.045 0 40 IKAB CC(=O)Oc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)n2)cc1 1413644 GRAHZPLZYCUGDX-UHFFFAOYSA-N 443.450 5.915 0 40 IKAB Cc1cnc(SCc2ccc(Cl)cc2)nc1N(Cc1ccccc1)Cc1ccccc1 1679763 XJIOSFCPIHBSIY-UHFFFAOYSA-N 446.019 6.938 0 40 IKAB COCCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccccc3F)cc12 1744062 HLLAQPTUVAYYGB-UHFFFAOYSA-N 437.261 5.025 0 40 IKAB biogenic CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3 1828480 JTJMTFURXCGSPY-GOSISDBHSA-N 428.623 5.300 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@]1(C)CC1(Cl)Cl 2103082 SKCVYBBQWPLTET-SFHVURJKSA-N 446.783 6.156 0 40 IKAB O=c1c2c3c(sc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(Cl)c1)CCC3 2211842 GERIYCRKAGMUEO-UHFFFAOYSA-N 443.355 5.058 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCCC4)cc1 2273785 KUIHOHDVAIVMBB-UHFFFAOYSA-N 432.614 6.317 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)Nc3cccc4ccccc34)c3nc4ccccc4nc32)c1 2292922 ZVZZCGVVXZQHPM-UHFFFAOYSA-N 443.510 5.870 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C)cc2)cc1 2432510 QZWOKBJRLKRFNQ-RUZDIDTESA-N 439.511 5.206 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 2594509 YIYWGPPUEKOROQ-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)cc1 2955542 IGTMYHISTMJJGO-FVDSYPCUSA-N 447.922 5.329 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F)c1ccc(Cl)cc1Cl 3112352 AFHMKYDSFKKCOH-AWEZNQCLSA-N 432.147 6.118 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1Cl 3247185 NXBRFOMABSLZSO-UHFFFAOYSA-N 449.359 5.065 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3ccc(C)cc3)c2c1C 3299373 VPTDXLNXCZGVCO-UHFFFAOYSA-N 449.601 6.521 0 40 IKAB CCCCN(CC)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3347551 AUKCYTLPKCCOOK-UHFFFAOYSA-N 432.058 6.752 0 40 IKAB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NC1CCCCCC1 3350179 VYFHNEITNNPITI-UHFFFAOYSA-N 443.663 5.915 0 40 IKAB COc1cccc(CN[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 3454215 HDURPLSRIYOWNE-NRFANRHFSA-N 448.872 5.837 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636619 OAIYXZBHZNZRGH-JTSKRJEESA-N 448.588 5.376 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3665989 MNQZWLNMTPADFN-UHFFFAOYSA-N 427.344 5.686 0 40 IKAB CCN(CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(C)cc2)cs1 6511271 BPSLXCYFPKLKTL-UHFFFAOYSA-N 437.609 5.262 0 40 IKAB CC(=O)OC1=CCC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 6762187 DOZKIOWESDDEID-VVDBDTPLSA-N 442.728 8.555 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(OC)cc1OC)C(C)(C)N2 8855075 FUCFNSFPSQAKIB-LNVKXUELSA-N 428.579 5.786 0 40 IKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4ccccc4Cl)nn3)s2)cc1 8875832 CKJYEYPOJCSGCZ-UHFFFAOYSA-N 439.993 6.530 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)c1 8927850 VLNDCTCZMZEZTG-HSZRJFAPSA-N 425.937 5.026 0 40 IKAB CN(C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cccc2s1 9151914 OFXBQXFGVNZGIU-UHFFFAOYSA-N 447.579 5.552 0 40 IKAB CC(C)C(=O)Nc1cccc(C(=O)Nc2nnc(SCCCc3ccccc3)s2)c1 9196890 IWLJJNDANSGPIR-UHFFFAOYSA-N 440.594 5.110 0 40 IKAB Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)c1 9296378 ORXGMFPEAAWFFS-UHFFFAOYSA-N 442.588 5.400 0 40 IKAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(C)cc2C)CSC3)cc1OCC 9390983 XYVFTMQCESWVSI-UHFFFAOYSA-N 437.565 5.286 0 40 IKAB CCn1cnnc1SCC(=O)N(c1cccc(C)c1)c1nc(-c2ccc(C)cc2)cs1 9412972 OBJMNNYHGUXJRU-UHFFFAOYSA-N 449.605 5.495 0 40 IKAB Cc1nnc(Sc2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c23)o1 9459955 JLDIEAQQEVGAOS-UHFFFAOYSA-N 434.999 6.096 0 40 IKAB CCCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c2nn(-c3ccccc3)c(=O)c-2c1 9661533 DEHJRTXDQFSKPO-UHFFFAOYSA-N 441.318 5.108 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c(C)c1 9721269 YQQKNADOCLBCGS-SANMLTNESA-N 433.935 5.273 0 40 IKAB CC(C)C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 9798516 CUXWJCPBCKYVMJ-OAQYLSRUSA-N 438.572 5.415 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc(C)n3C3CC3)nc12 10213346 VRZBRTCQUOLDFS-UHFFFAOYSA-N 449.605 5.165 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)c1 12062693 ARJBSKWFKGMPLL-XMMPIXPASA-N 438.527 5.852 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 12660933 ILMDZPHZUORDBY-XXBNENTESA-N 447.362 5.831 0 40 IKAB biogenic O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 12691949 NTPOJASYUZGGBT-OAQYLSRUSA-N 429.545 5.864 0 40 IKAB CCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 12707630 UQHVAQGQIPJCAT-UHFFFAOYSA-N 435.325 5.067 0 40 IKAB Cc1cc(OCC(=O)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)ccc1C(C)C 13098254 DBTSHSXHZCHQHF-HSZRJFAPSA-N 432.589 5.988 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)nn1)N1c2ccccc2Sc2ccccc21 13494693 PCZJUPNQRCOXIL-UHFFFAOYSA-N 428.542 5.460 0 40 IKAB COc1cccc([C@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13995355 UQYJHHINUISCIB-RNODOKPDSA-N 443.956 5.015 0 40 IKAB CC(C)[C@@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 14014641 QCCQFNPTTFPJRJ-AREMUKBSSA-N 430.548 5.587 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3nc([C@@H]4CCCO4)n[nH]3)cc2)c1 14018908 UNLMIJVCVZFQLO-SFHVURJKSA-N 440.594 5.155 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccc(F)cc3)cc12 14092873 WQRULJRMABUJAJ-UHFFFAOYSA-N 446.478 5.272 0 40 IKAB O=C(NCCCCCOc1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 15042579 PMZNNFIWEGKMRO-UHFFFAOYSA-N 445.515 5.473 0 40 IKAB C[C@@H](NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl 15766262 UMBUAVTUMBZSKT-MRLCAUJQSA-N 447.406 5.854 0 40 IKAB Cc1ccc(NC(=O)NC[C@H]2CCC[C@H](CNC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 16284960 XNWRFHDOMHALSH-VXKWHMMOSA-N 436.600 5.670 0 40 IKAB CCOc1ccc2nc(S[C@@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926678 FXQKQRGYKMYIHQ-JOCHJYFZSA-N 435.524 5.251 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 21631573 AVKBRDLXGIWOBB-MRXNPFEDSA-N 428.970 5.086 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3Cc3ccccc3)co2)cc1 25829517 QDGROZXGMNJZMM-UHFFFAOYSA-N 443.507 5.475 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 27792677 VMJALWQWFSYSIR-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C(c1occc1-c1ccccc1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 29257039 RENGBCNAFQQEQT-UHFFFAOYSA-N 447.535 5.167 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)cc1 30752681 XXVZVQMTGXCCCS-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1ccc([C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCCCC2)cc1 32555784 AKCXOIYBJBFTIZ-OAQYLSRUSA-N 435.996 5.391 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 33636377 KJMFSXDKCNGENX-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/S/C(=N/c4ccccc4Cl)NC3=O)cc2)cc1 35644981 OMSSKSGMBAUMDS-HYARGMPZSA-N 434.948 6.119 0 40 IKAB Cc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1cccc(C)c1C 38757305 LYSKPXKNUWHMTJ-DEOSSOPVSA-N 448.588 5.220 0 40 IKAB Cc1ccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)cc1 39754478 HNUKUSKQDNGEKO-UHFFFAOYSA-N 434.967 6.291 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2ccc(Br)cc2)cc1 40485833 HXVZQFUKISARQE-OAQYLSRUSA-N 435.321 5.205 0 40 IKAB CCCCOc1c(OC)cccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44921628 QMTZUKYAMAMQDO-QFIPXVFZSA-N 438.553 5.187 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F)c1ccn(-c2ccccc2)n1 48290874 KUIWOFRMGUBDCK-UHFFFAOYSA-N 429.320 5.085 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccccc4Cl)cc3)sc2c1 59312858 SOGNKEOMMDCFPZ-UHFFFAOYSA-N 439.005 6.797 0 40 IKAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc12 65033941 GLGZAUOSKLBEBT-UHFFFAOYSA-N 430.435 5.421 0 40 IKAB COc1ccccc1-c1sc(=S)n2c3ccccc3c(=O)n(Cc3ccccc3F)c12 67334608 SNKSFTQTJRBDTP-UHFFFAOYSA-N 448.544 5.908 0 40 IKAB CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@H](c1cccc(F)c1)c1cnn(C)c1 72282605 MMDXOYKXQOMCDQ-AREMUKBSSA-N 444.510 5.011 0 40 IKAB Cc1csc(Nc2cccc([C@H]3CCCN3Cc3nc4ccccc4n3C(C)C)n2)n1 72375392 POGSDWXKBFUSOB-HXUWFJFHSA-N 432.597 5.858 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)N1CCC(COCc2ccc(Cl)cc2)CC1 77191631 GNZNOQKFBGGKQR-UHFFFAOYSA-N 426.866 5.820 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)cc1 89642583 JLYHPBNNQGJJGX-INIZCTEOSA-N 443.642 5.414 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)Cc1ccc(Br)cc1 90593109 XERTZTQSNRPHLJ-UHFFFAOYSA-N 435.774 5.393 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2cccs2)nn1C 90593285 GAALMBRPALGIRN-UHFFFAOYSA-N 428.970 5.164 0 40 IKAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCCC2)c1=S 102246351 CGEGBWIQBOXSME-VJANTYMQSA-N 430.593 5.183 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3cc(C)ccc3n2)cc1 102640736 SQINHRUMHNTJQA-YDWJEQILSA-N 428.576 6.163 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(C)c2C)cc1 113938126 FXARDTRVVMFBSP-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 222502786 PKZTYDCYCSMGIY-QHCPKHFHSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 222507483 XUGVGIQDQKKNRB-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222563465 WSAUCKSUOQGLOY-XMSQKQJNSA-N 447.044 5.197 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222909399 PDAHCZOIIYIBDK-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 223048925 NBZZZRIEAZDBIW-AREMUKBSSA-N 428.576 5.070 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223807290 MOOICFSLTFPDBP-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223838024 MYCNASSPLMVNMN-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174913 YMHSGIJYGGMHQJ-JWQCQUIFSA-N 439.588 5.115 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)cc1 224467438 BQKKKCGHQHEYJB-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 224554798 VCWZKZPKTAQEPC-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 224860260 JPFNLAKSADDAMR-UHFFFAOYSA-N 440.543 5.902 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2nnc(-c3ccc(OC)cc3)s2)c2ccccc2)cc1 225262077 AMNOLSKPVRMNBB-CJLVFECKSA-N 443.528 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225488001 WPCZUFMIYOMRMF-HFZDXXHNSA-N 430.592 5.495 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225582947 WPGYOPZPKSSYAO-INIZCTEOSA-N 436.379 6.166 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 225603151 WGMARQMKDFRDSE-XXBNENTESA-N 445.003 5.221 0 40 IKAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 225626038 SVNWYJVWZIWDJR-UHFFFAOYSA-N 444.878 6.067 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCc3ccccc3C)CC(=O)O)c(-c3ccccc3)c2c1 257248664 JERZMRIPSAQLDO-UHFFFAOYSA-N 426.516 5.221 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C3CCC3)CC2)c1 257279039 OESZULPZMUCIKR-UHFFFAOYSA-N 432.608 5.138 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 260755848 BYRAPEAMPMXCSZ-SMHULIPUSA-N 440.366 5.693 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc(-c2ccsc2)o1 390828701 BQOZKVMHORAVLG-MRXNPFEDSA-N 428.897 5.088 0 40 IKAB CCOc1c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cccc1OC 408632313 DDUJXLDWKPIMRX-WJDWOHSUSA-N 432.885 5.015 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408694291 INCSOOCEDCIDAO-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 408696088 VZHVLYKMKCVRFU-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)c(C)c2)c1 408697976 KOKDXZVZWGMBPC-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c1C 408699837 WNCWHUIBQPWFSP-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2cccc(F)c2)=N1 408989560 LGLLEQQFLCVOCG-QHCPKHFHSA-N 431.536 5.672 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 409099137 SFUJAEBJCKZJJX-FYJGNVAPSA-N 448.906 5.415 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409110493 CRLKEFDKKZMICS-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 409111758 DVIMWRUGPIDPKU-UHFFFAOYSA-N 429.947 7.632 0 40 IKAB CCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409383076 YZWYRDZKLQBLLE-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2 585261802 OGFAAIXWFDYMRD-NRFANRHFSA-N 431.507 5.335 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 2037845509 GXWAMXJDWIPWPV-UHFFFAOYSA-N 449.558 5.226 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)c3n2)cc1 648983 LLUNOZNNTSZDMB-CRICUBBOSA-N 438.522 5.683 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 1448861 FGCTXABKSPVAJP-OAQYLSRUSA-N 428.985 6.439 0 40 IKAB Cc1c(NP(=O)(Oc2ccccc2)Oc2ccccc2)c(=O)n(-c2ccccc2)n1C 2067623 VCFWXCZZBVUGEN-UHFFFAOYSA-N 435.420 5.162 0 40 IKAB CC(C)c1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1 2264690 MWHLVDWHHBSRPM-UHFFFAOYSA-N 436.515 5.636 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1N[C@H]1SC(=O)N(c2ccccc2)C1=O 2428024 PBBMYWUTIMTANX-IBGZPJMESA-N 438.530 5.230 0 40 IKAB O=c1c2c(nc(SC(c3ccccc3)c3ccccc3)n1-c1ccccc1)CCS2 2719712 VDEQXFIFSKYQCB-UHFFFAOYSA-N 428.582 5.762 0 40 IKAB Cc1sc(-n2nc(-c3ccc(F)cc3)c(C)c2-c2ccc(F)cc2)nc1-c1ccccc1 2733510 UWAHOEAFXTXZLR-UHFFFAOYSA-N 443.522 7.225 0 40 IKAB CCc1ccc(N(CC(=O)Nc2cc(OC)ccc2OC)c2nc3ccccc3s2)cc1 3280239 SVMFRSNSZFCAEM-UHFFFAOYSA-N 447.560 5.653 0 40 IKAB O=C(OCCOc1ccc(Br)cc1)c1sc2cc(F)ccc2c1Cl 3311924 HPKBAOOGRXALBI-UHFFFAOYSA-N 429.694 5.692 0 40 IKAB Cc1nn(-c2ccccc2C(F)(F)F)c2nc(-c3cccs3)cc(C(F)(F)F)c12 3327945 KTZXQFLUOUJMFL-UHFFFAOYSA-N 427.373 6.495 0 40 IKAB O=C(c1ccccc1F)c1cc(Cl)ccc1NC(=O)C(c1ccccc1)c1ccccc1 3360222 CTUOASUPCGCDLP-UHFFFAOYSA-N 443.905 6.481 0 40 IKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2)cc1OC 3364676 CRYMMQZJPVTIAK-FMIVXFBMSA-N 429.545 5.757 0 40 IKAB CCCC[C@H](CC)COc1c(C(=O)O)sc(C(=O)O)c1OC[C@H](CC)CCCC 4727816 ZFDZVPVIEZTUPH-IYBDPMFKSA-N 428.591 6.335 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 6245233 FLGFKCUPDLJPDT-INIZCTEOSA-N 449.967 5.410 0 40 IKAB Cc1ccc(C(=O)c2oc3ccc(F)cc3c2-c2cnc3c(c2)COc2ccccc2-3)cc1 8448918 SJRTXIRUNMYTBH-UHFFFAOYSA-N 435.454 6.733 0 40 IKAB Cc1cccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)c1 8452479 QEDVUOVQFIOMAF-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O 8587090 FBYDDUYFJDMVBK-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)sc2c1CCCC2 8592915 IQFHQUCEMLTHHH-ZDUSSCGKSA-N 430.570 5.195 0 40 IKAB O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 8715678 JTXSKGZAHCUCJH-JFIJJZPASA-N 425.484 5.282 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8871534 IUVQNPWHOYSELO-NJTIBFSMSA-N 437.543 5.669 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(Cl)c(Cl)c1 8902668 KOZBYTMSRMFHFV-UHFFFAOYSA-N 432.288 5.701 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c1 8921272 OIJQQXMMCWROLP-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCOC(=O)c1cnc(Nc2nc3ccccc3o2)nc1CSc1ccc(Cl)cc1 9111305 YQTLVEIYJUVYSS-UHFFFAOYSA-N 440.912 5.484 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2c(C)cccc2C)n1 9250102 OGLHIZOPBDGDCE-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB CCOc1cc(-c2nnc(NC(=O)c3ccc4ccccc4c3)o2)cc(OCC)c1OCC 9274834 BDQVBRCBXIKSLQ-UHFFFAOYSA-N 447.491 5.338 0 40 IKAB CCOc1ccccc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 9284245 JAUVKYMLDVBDNC-NRFANRHFSA-N 432.501 5.200 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 9307865 RYEBBOPFKUPAOL-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1C 9591689 OHNGYUKWDGTTJM-QGZVFWFLSA-N 447.918 6.340 0 40 IKAB CC(C)Cn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1F 9835692 UFAGSLKNPDTUFP-ZDUSSCGKSA-N 429.546 5.705 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 9982886 BJNOUHKWNLJBMR-UHFFFAOYSA-N 432.549 5.441 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040284 CUOIIGDKVSNJLI-AWEZNQCLSA-N 448.906 6.643 0 40 IKAB Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 12137131 LSPXOCUVNCCXLQ-OXJNMPFZSA-N 448.357 5.030 0 40 IKAB O=C(CSC1=NCCS1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 12311598 CYBATTCXCYOWCP-QFIPXVFZSA-N 431.586 5.354 0 40 IKAB O=C1/C(=C/Nc2ccc(Cl)cn2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 12312265 MUBPNFCJWUSRMO-LDADJPATSA-N 443.812 5.394 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SC[C@H]2CCCO2)c(C)c1 12555608 CLUHPBKWPAXYJZ-JOCHJYFZSA-N 429.589 5.899 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc(Cc4ccccc4)c(C)[nH]3)cs2)cc1 12627493 UKZNNZCWKJQALA-UHFFFAOYSA-N 448.617 5.547 0 40 IKAB CC(C)c1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12649542 FFVKZRJEXHQYIT-JOCHJYFZSA-N 446.938 5.784 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 13113114 KROJZHJELHQQEU-HUUCEWRRSA-N 433.499 5.267 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(C)c(Cl)cc3OC)c3ccccc3n2)cc1 13129287 QKMZPBQBVJVKDH-UHFFFAOYSA-N 432.907 6.133 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)c3ccccc3Cl)cnc2n1Cc1ccccc1 13500028 IBKYIUBXOVRMOV-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB C[C@@H](C(=O)NCc1noc(-c2ccccc2)n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13682113 UUBNEQLQBUIWAY-CQSZACIVSA-N 430.895 5.444 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 13687778 ZFHXORCCFJGVHI-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 13768625 YFVDRWSYNVHUJT-WMZHIEFXSA-N 439.298 5.964 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 14008060 ALJDWBYGVMIAIH-UHFFFAOYSA-N 425.410 5.347 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)n[nH]1 14805378 FSFXZDMRDAMSDB-UHFFFAOYSA-N 439.943 5.772 0 40 IKAB COc1ccc(CNc2ncnc3scc(-c4ccc(Br)cc4)c23)cn1 14808848 GQTFMBYJGYTQDR-UHFFFAOYSA-N 427.327 5.137 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)o1 15860446 WAAOMYONJWTFQF-QHCPKHFHSA-N 433.552 5.079 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3o2)cc1 16692039 RXUAMUOYAALCQM-UHFFFAOYSA-N 431.517 5.329 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2CC)c1 16845129 MMEMFFUANKPTEC-UHFFFAOYSA-N 449.601 5.438 0 40 IKAB Cc1cc(C)cc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 17010843 QTGHAMVSQFBEPR-UHFFFAOYSA-N 426.568 6.311 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)C(C)(C)C 17094538 FOUCXJFZIVJOTH-UHFFFAOYSA-N 425.554 5.486 0 40 IKAB CCCCc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1 17096259 ZGADHLSICYMADV-UHFFFAOYSA-N 428.963 7.459 0 40 IKAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1OC 17096960 RSJJGIXEOHBDJF-UHFFFAOYSA-N 430.508 5.122 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)ccc1I 17102741 GSEKSKFUSVCXAG-UHFFFAOYSA-N 438.652 5.160 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 17103119 RVAZJDKCFDAIOF-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1OC 20411929 OXOBQJIOEJQZQS-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(OCCC(C)C)c2)n2c(nc3ccccc32)N1 20672481 SFTRDUUYQRQHDV-VWLOTQADSA-N 447.579 6.093 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 24749302 VOEKABCXQHWOBM-JOCHJYFZSA-N 449.620 5.425 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25900086 BFXYSUVVUGHRGQ-JYFHCDHNSA-N 428.557 5.186 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(Cl)cc2)c2ccccc2)c1C 26770755 AYNUWIUZNJYLFX-XMMPIXPASA-N 447.003 7.472 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2ccncc2)c1C 26770944 AXHODNNKUXJJJH-HSZRJFAPSA-N 431.536 6.353 0 40 IKAB CN(C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F)c1nc2ccccc2s1 26965741 RWPHMNIIWVNNFP-UHFFFAOYSA-N 436.846 5.431 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 30861639 MJEIMNDSEMRGCV-HYBUGGRVSA-N 430.548 5.591 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 30947094 SNAPEWRCURDKFV-OBGYJAQLSA-N 446.610 6.144 0 40 IKAB Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2ccccc2)no1 31814395 FQFUUPFLKZXWAQ-UHFFFAOYSA-N 429.461 5.076 0 40 IKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCCN3CCC(C)CC3)cc12 32986724 HRPJNTIRCWLOCL-UHFFFAOYSA-N 431.580 5.071 0 40 IKAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)cc1OC 33022111 FHHDLUQKCSUKOG-UHFFFAOYSA-N 448.548 5.510 0 40 IKAB Cc1cccc(CN2CCC(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)CC2)c1 39766263 WBAWMHJEWLHYAG-UHFFFAOYSA-N 434.967 6.291 0 40 IKAB Cc1ccc([C@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 44841465 YKDXRUWONQTTLT-AREMUKBSSA-N 429.541 5.855 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc(-c2ccccn2)n1 49007171 AFYZRPFSHCTJEM-UHFFFAOYSA-N 438.862 5.250 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 58010904 HZWDHDKOFJCOBK-UXHICEINSA-N 447.604 5.368 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4c(Cl)cc(C(=O)O)cc4[C@@H]4C=CC[C@@H]43)cc2)cc1 59401534 LDORSLGECZQEBG-SLSDLSHTSA-N 445.946 6.752 0 40 IKAB CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO 72372713 MPOAODRKQATISC-QFIPXVFZSA-N 438.597 5.127 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@H]1C(O)=N2)c1sc2ccccc2c1Cl 95480312 UYHMVLJUBIEHJH-HNNXBMFYSA-N 425.897 5.013 0 40 IKAB O=C(Cc1ccc(F)cc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 100219436 ALBVZWYUADRVAJ-PUZFROQSSA-N 444.510 5.057 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1 101185562 QXMHGXKSTXCBJE-GYCJOSAFSA-N 426.391 7.009 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222637424 YPHCVFAOAAMFDU-XMMPIXPASA-N 440.603 5.388 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222942589 TTXFYMQGFLUYQG-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1 224095238 JINOMIZBAHLVQO-UHFFFAOYSA-N 436.577 5.057 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224326167 QWQUSWKEUXJJBH-QFIPXVFZSA-N 445.028 5.298 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1c1ccc(Cl)cc1 224454465 FEIWOXZQIVOFNI-VXKWHMMOSA-N 431.952 5.098 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 224457012 CTVKSMXDDASFJZ-VXKWHMMOSA-N 431.952 5.098 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1 224530155 SSGCHSMZROICKK-UHFFFAOYSA-N 433.548 5.262 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1cccc2ccccc12 224630208 AJEULWBFXZBHOO-UHFFFAOYSA-N 425.528 6.632 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 224909109 DMXOMPFUTJOPAB-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225118222 YHYGNOOXYVRKSV-AREMUKBSSA-N 434.624 5.492 0 40 IKAB Clc1cc(Br)cc2nc(-c3cccc(I)c3)[nH]c12 226343030 CZTLOCSLSQVUMJ-UHFFFAOYSA-N 433.474 5.250 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4cc(Nc5nc(C)cs5)cc(C)n4)C3)c2c1 257229503 FYIQJPIOCUYJJH-KRWDZBQOSA-N 446.580 5.103 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)cc1 257232792 GMLKGBWGKGHIGH-FQEVSTJZSA-N 446.547 5.103 0 40 IKAB CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1 257276681 NURWZUCLZSWOPN-QHCPKHFHSA-N 432.539 5.159 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccccc2OC(C)C)cc1 257282086 OSGPHHHNUWFKQE-UHFFFAOYSA-N 433.504 5.302 0 40 IKAB CC(C)=CCC[C@@]1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@@H]21 257336005 YMSQZDKVVMTSBL-UCIQRNAGSA-N 441.612 6.287 0 40 IKAB COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1ccc(Cl)c(Cl)c1 408577544 SZWKEGDWGHIDFM-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)N1CCCCCC1 408581953 BDYIIXIMALQBPD-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408647397 VHYPXSLUHZAMQR-IEBWSBKVSA-N 434.923 5.681 0 40 IKAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 408707740 DEKBRZPWRLNMHU-UHFFFAOYSA-N 446.856 5.246 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1ccccc1 408816107 SMXJBGNHBFRYSL-PDGQHHTCSA-N 426.291 5.950 0 40 IKAB COc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409175330 XGPUDFNNUQENTM-BFZJJYPJSA-N 438.571 5.922 0 40 IKAB CC(C)(C)[C@@H]1CC[C@H](C(=O)Oc2ccc(I)cc2)[C@H](C(C)(C)C)C1 1505840708 SXCNJZUGLYFXKJ-FHLIZLRMSA-N 442.381 6.321 0 40 IKAB O[C@H]1C[C@@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@@H]2C[C@@H]1n1ccnc1-c1ccccc1 2332242722 LNCIBQHTRJFHCT-MQFRRQCYSA-N 441.497 5.013 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)cc1 780971 OHIDDLFJNHFEQX-UHFFFAOYSA-N 447.541 5.667 0 40 IKAB aggregator Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1371291 IWXCYPNXIGPMAD-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CN(C)c1ncc(S(=O)(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2Cl)n1 1402976 ALSLDYJTFGXFLD-UHFFFAOYSA-N 442.755 5.003 0 40 IKAB CC[C@H](C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc12 2199256 VBGXCUUDRYNTOS-LBPRGKRZSA-N 444.413 5.010 0 40 IKAB FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2267049 KJYNPNNBCORBBE-UHFFFAOYSA-N 434.248 7.366 0 40 IKAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1 2394874 LWKCXPPNARAMJN-UHFFFAOYSA-N 448.613 5.935 0 40 IKAB CCCCCc1ccc(-c2nc(Cl)c(-c3ccc(CCCCC)cc3)c(Cl)n2)cc1 2570562 NJPAPBSZJWMXCD-UHFFFAOYSA-N 441.446 8.583 0 40 IKAB COc1ccc([C@H](Nc2ccccc2I)[C@@H]2CCCCC2=O)cc1 2589196 SALSQZUNPVNDJT-UZLBHIALSA-N 435.305 5.212 0 40 IKAB Fc1ccccc1COc1c(Br)cc(Br)cc1Br 3251962 CIXFVFHMGAKOMO-UHFFFAOYSA-N 438.916 5.692 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc2c1=O 3263871 APAOPVQBBWHNEV-UHFFFAOYSA-N 447.535 5.379 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 6973811 FLIDLMWYWSPJJZ-UHFFFAOYSA-N 436.581 5.114 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 8612325 DRQGONTYYZOTDX-UHFFFAOYSA-N 447.512 5.567 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3ncc(-c4ccccc4)n3Cc3ccco3)o2)c1 8725168 RYKOICDLHXCINQ-SFHVURJKSA-N 442.544 6.403 0 40 IKAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccccc32)cc1CSc1nc2ccccc2[nH]1 8740300 IYYGDDRCJUCTLJ-DEOSSOPVSA-N 440.572 5.580 0 40 IKAB biogenic Clc1cc(CSc2nnc(-c3cccc(Br)c3)o2)cc2c1OCCO2 8750298 RXEBADZIQHCAPR-UHFFFAOYSA-N 439.718 5.216 0 40 IKAB CC(C)n1c(SCC(=O)NCC2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 8756034 GTQYQMGTCMXRFZ-UHFFFAOYSA-N 441.428 5.621 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)N(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8788785 OMRMWCXKBAFXLH-BTYSJIOQSA-N 449.554 5.555 0 40 IKAB biogenic CCc1ccc(S(=O)(=O)/N=c2/scc(-c3c(C)oc4ccccc34)n2CC)cc1 8834242 NSMCELFGCZKRJO-GHVJWSGMSA-N 426.563 5.143 0 40 IKAB FC(F)(F)c1cccc(COn2c(-c3ccc(Cl)cc3Cl)nc3ncccc32)c1 8855386 NQKWSPLUFGXJOV-UHFFFAOYSA-N 438.236 6.053 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 8902902 UJNBHKHOOXSDDQ-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 9013637 FWDPHRPQKVGFJL-GEBXHLAXSA-N 446.506 5.060 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)c1 9063974 AGZMDFVXKHYVFB-UHFFFAOYSA-N 444.560 5.392 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 9075444 IGTHMYFIOZXWIZ-OVCLIPMQSA-N 440.830 5.034 0 40 IKAB O=C(COCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 9095066 KJMIKEBGBCJAKM-UHFFFAOYSA-N 444.409 5.092 0 40 IKAB O=C(c1ccc(-c2ccccc2F)o1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9255228 JGMFWMFRDRHEAB-UHFFFAOYSA-N 437.858 5.594 0 40 IKAB CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nc2sc(C)c(C)c2c1=O 9357903 GLGMTQINLYLCPH-UHFFFAOYSA-N 426.563 5.110 0 40 IKAB COc1cccc(NCc2nnc(SCc3ccc(F)cc3)n2C2CCCCC2)c1 9365090 UZBDEILLALSETG-UHFFFAOYSA-N 426.561 5.835 0 40 IKAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 9497166 VZTRJSLMGDMIDJ-UHFFFAOYSA-N 448.592 5.163 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2c(C)cccc2C)c1 9570155 YIPJCZZWNUUWOK-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccncc1 9581161 JSBOZTYVFPAOSN-GOSISDBHSA-N 434.801 5.291 0 40 IKAB Clc1ccccc1-c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 9593069 FYDFIXKGEYGTDK-YADARESESA-N 432.932 6.904 0 40 IKAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 9679096 IKKGALNFMJPEFT-QFIPXVFZSA-N 429.863 5.178 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)c1 9924816 GTWIUPMMSJUNHQ-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11139405 CJLQXPNEPJNNPU-LLVKDONJSA-N 427.715 5.180 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)O)CCN(Cc3cccc(C)n3)CC2)c(C)c1 12234825 WRAADZZYWDHCRH-UHFFFAOYSA-N 428.576 5.583 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)Nc2ccccc2)cc1 12493835 ZZBUOJQQRCUWDZ-UHFFFAOYSA-N 443.978 7.048 0 40 IKAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)c2ccc(C3SCCCS3)cc2)c1 12542834 CCGAXKPVIYBNEV-UHFFFAOYSA-N 442.606 5.194 0 40 IKAB Cc1noc(C)c1CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 12776691 RJWATTABSCPWGB-UHFFFAOYSA-N 437.396 6.654 0 40 IKAB COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c1 13084526 KBBVIXVYHBDMKQ-UHFFFAOYSA-N 449.963 5.367 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)nc2c(C)cccc12 13400451 LMWXHRVDAXECMF-IBGZPJMESA-N 427.573 6.341 0 40 IKAB Cc1ccc(CN(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 13502415 RBVITUAUACUNEE-SANMLTNESA-N 441.575 5.223 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 13954928 CIDOXPCFFXNEAW-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1cccs1 14141048 ONQFUTWZBNEZNQ-UHFFFAOYSA-N 430.529 5.157 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 14269858 IEVBQTOQSQZXOE-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)cc1C 15783802 MHDKXMWQARDGAW-UHFFFAOYSA-N 435.014 5.218 0 40 IKAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 16689271 FLJJNNIQPSPSBN-UHFFFAOYSA-N 425.912 5.336 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c(C)c1 16994023 RPWBRYNHGBPPGQ-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 17101154 IZQBMSTYHCKHQS-VOMDNODZSA-N 437.326 6.297 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2s1 17101937 DZTLRBIKTJOVCE-UHFFFAOYSA-N 438.336 5.603 0 40 IKAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3nnc(-c4nccc5ccccc45)o3)coc2c1 19221618 BJGJJEHZHJPQLF-NRFANRHFSA-N 438.487 5.246 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)cc1 19688471 UKSQRYQNPYINHD-VWLOTQADSA-N 432.539 5.461 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692222 OTGRIRPLZNVMSD-XMMPIXPASA-N 449.913 5.160 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2)CC1 20612496 RGWKTHGMIZJQRG-UHFFFAOYSA-N 429.706 5.277 0 40 IKAB CC(=O)c1c(C)cc(C)c(CSCc2nnc(-c3ccccc3Br)o2)c1C 22816037 ODNFYGFWAAQDJR-UHFFFAOYSA-N 445.382 6.060 0 40 IKAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4o3)C2)c2cnn(C(C)C)c2n1 24693691 MYAOKNCRDXCSCX-KRWDZBQOSA-N 431.540 5.297 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)c3ccc(NC(=O)c4ccccc4)cc3)n2)cc1 32736441 FELCWGZKANIXPP-UHFFFAOYSA-N 428.517 5.007 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc3ccccc3c2)cc1OCC 34688463 NWYNBXWOOUCJFH-UHFFFAOYSA-N 428.326 6.042 0 40 IKAB Cc1nc(-c2cc(Br)cs2)sc1C(=O)N1CCC[C@@H]1c1ccncc1 48326204 YYRBAPGQQVRHLP-CQSZACIVSA-N 434.384 5.315 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1 57323080 GVXIIMSHTHNGMK-QFIPXVFZSA-N 446.881 5.268 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1F)N1CCCC1 64471985 MVOUTRUIDIWPRG-UHFFFAOYSA-N 432.268 5.255 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)cc1 67297688 ABBGRIIUVXJXNY-FAJYDZGRSA-N 438.405 5.945 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1 71761899 XCCURVJFTPOMBX-UHFFFAOYSA-N 445.928 5.142 0 40 IKAB C[C@@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc2c(c1)CC(=O)N2 84651719 PVJFJLXRZDQARR-MRVPVSSYSA-N 439.751 5.847 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C(F)(F)F)cc1 104153319 CHYODOHQZJRDOV-JOCHJYFZSA-N 428.454 6.518 0 40 IKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 106781801 QXPNRSUMSQEKHL-STZFKDTASA-N 439.920 6.024 0 40 IKAB CC[C@@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118927616 OLLAJSNLQPFYSL-IKLSCMFCSA-N 442.728 8.206 0 40 IKAB CC(=O)OCCC[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=C[C@@]21C 118936152 BNTFAVVBPCPTKY-LEGAMMCASA-N 444.656 6.332 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1OC 214392466 JEKHRCDMDVKLNZ-GIJQJNRQSA-N 438.332 5.637 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 223025453 PKYDOXIWWWSYOM-UXHICEINSA-N 445.997 5.098 0 40 IKAB Cc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c(C)c1 223209734 UZIGAAAEEXXKFA-DEOSSOPVSA-N 427.972 6.235 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223430072 PLNFZZGXCDZPMD-DQEYMECFSA-N 440.572 5.054 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 223552018 GWNJLCIYBCKSNJ-XZOQPEGZSA-N 446.963 5.563 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1c1ccccc1 224179345 PFOMOROKXUTYDA-SXOMAYOGSA-N 446.579 6.203 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224243347 MFKKVCDYQGZXER-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 224292483 GLVOZFZPKDPEDS-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 224296022 MJGGCPLPENUGTK-ZEQRLZLVSA-N 428.561 5.318 0 40 IKAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 224330344 NTPOEQAVGKPCKG-UHFFFAOYSA-N 428.576 5.401 0 40 IKAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225033149 AGNSAZDGUNEQOU-GOTSBHOMSA-N 447.560 5.043 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225104022 SBGGFUYSZNEBKB-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NC(c2ccccc2)c2ccccc2)n1 225205204 VPBBEJCNNOPUFR-UHFFFAOYSA-N 443.551 5.744 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225299638 VYAKUPYWQSNJOY-QZTJIDSGSA-N 449.422 5.566 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1C 225367401 PPOYZYFWNDORAY-LOSJGSFVSA-N 446.620 5.535 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@H](C)C[C@@H](C)C4)cc3)CCCCC2)cc1 225542479 VHWFFEJZKAJDRV-DNQXCXABSA-N 448.651 6.192 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225863207 IFTFBDTUCZFZMT-UHFFFAOYSA-N 436.499 5.638 0 40 IKAB O=C(O)c1sc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1CCCc1ccccc1 257235797 GZNFOSNJQQPLQJ-JOCHJYFZSA-N 448.588 5.313 0 40 IKAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc12 257307539 SZDFAYPEPDIBQX-QAQDUYKDSA-N 447.560 5.664 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257341338 ZJXOQHWJHHBJBN-SFHVURJKSA-N 444.988 5.483 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564116 XXDIXNMLPBPPIF-GFMRDNFCSA-N 439.795 6.500 0 40 IKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1cccc(I)c1 408585765 ICCMNXCKIDFSFM-UHFFFAOYSA-N 429.685 5.376 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc(Br)ccc1OCc1ccccc1 408587122 QLAZCGSVPKUBLA-UHFFFAOYSA-N 432.317 6.434 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)cc1 409005458 DOFLNWRCPBHTPY-ULJHMMPZSA-N 429.541 5.853 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccccc1Cl 409059014 NZIYLRSXYLEXTG-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB CCc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409103889 HNJSEIXSLFWWKY-UHFFFAOYSA-N 435.980 6.321 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 409104462 IXZOQFAUQCEXJP-UHFFFAOYSA-N 435.980 6.376 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1c1cccc(Cl)c1 409141269 HYSSHYLMMQXFMJ-SOFYXZRVSA-N 433.714 5.825 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409183280 AHCOCBYSVSZTIS-XMMPIXPASA-N 436.964 5.675 0 40 IKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)C1=O 409239571 HIUWUOLWZIPBPQ-WOJGMQOQSA-N 449.334 5.274 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccccc1O 409412612 YOASZBBVOBQQPV-UHFFFAOYSA-N 446.532 5.194 0 40 IKAB O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)nc1Cc1ccc(F)cc1Cl 585265289 HYTXEMYTHORWDR-UHFFFAOYSA-N 447.893 6.409 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(-n6nc(C)cc6C)ncnc5c24)CCC3)cc1 642939 MSUQHBDASYCRON-UHFFFAOYSA-N 427.533 5.206 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc12 883266 RZGXBNWVRLZZNW-UHFFFAOYSA-N 427.573 5.544 0 40 IKAB O=C(c1cccs1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(C(F)(F)F)cc1 1049640 URCBFPMQBJCRMP-OAQYLSRUSA-N 426.463 6.036 0 40 IKAB CSc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@@H]3c2ccc(SC)cc2)cc1 1061094 YWRNSIBZFOHRGM-JWIKTPOESA-N 433.606 6.250 0 40 IKAB Cc1oc2cc(OC(=O)c3ccco3)ccc2c(=O)c1-c1ccc(Br)cc1 1097530 OSIHTIBJAFJQDC-UHFFFAOYSA-N 425.234 5.343 0 40 IKAB biogenic CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 1326119 XWZKAWMNYDFPMQ-LBPRGKRZSA-N 425.579 5.058 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cc(Br)c1O 1606578 HSJJJXWXNJGTJI-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB COC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 1826719 PPFSIISDLIQSBY-JOCHJYFZSA-N 425.315 5.650 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(-c2ccccc2)cc1 1909005 MUJRHAZEUYOYBV-UHFFFAOYSA-N 431.586 5.968 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1 1953254 ZFMOGJFPTAHULE-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB O=C(N[C@@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054611 NRWPCZPPDWVLRA-CQSZACIVSA-N 446.976 6.185 0 40 IKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 2177503 NSFFGGGTKOECMM-WXPCENJTSA-N 446.388 6.567 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)cc1 2249915 UBMYRRKXYDQPOJ-UHFFFAOYSA-N 449.890 5.977 0 40 IKAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@@H](C(C)(C)C)C3 2282398 FECTWPOMXTUNFG-CQSZACIVSA-N 448.654 5.379 0 40 IKAB Cc1ccc(-c2cn3c(C(=O)Nc4ccccc4)c(-c4ccccc4)c4c3n2CCCC4)cc1 2328389 QHCICEDJDMVOSV-UHFFFAOYSA-N 445.566 6.972 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 2649332 RGWUPTVIUAHKCR-UHFFFAOYSA-N 442.515 5.479 0 40 IKAB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 2944513 DCGMIQMNIOQACA-KLCZTOMCSA-N 426.597 5.149 0 40 IKAB O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)c1cc(F)c(F)c(F)c1F 3189242 CWTFSEFEPHHGNW-UHFFFAOYSA-N 442.195 6.033 0 40 IKAB CC(C)(C)c1cc(C(=O)N/C=C/n2cnc3cc(C(F)(F)F)ccc32)cc(C(C)(C)C)c1 3198975 QSBVYHMCRVYXSQ-MDZDMXLPSA-N 443.513 6.508 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)c1ccc(F)cc1 3234985 RZMSVLTVDJDYIJ-UHFFFAOYSA-N 433.866 6.042 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 8432492 YEVGJNZTMNOWST-UHFFFAOYSA-N 439.577 5.755 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1 8755053 COOQTCIDCIBKDG-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C)n2Cc2ccccc2)cs1 8897548 SNHFJMUCQWAIER-UHFFFAOYSA-N 435.578 5.068 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9192275 KPKGPJJTOBOQHF-HSZRJFAPSA-N 442.540 5.585 0 40 IKAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cccc(OC)c2)cc1 9307288 NHCCDSRTZGJRAS-UHFFFAOYSA-N 447.560 5.464 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCC(=O)c2ccccc2)s1 9324737 MDURIECZCPCGOC-UHFFFAOYSA-N 439.349 5.464 0 40 IKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 9698370 VDTQQMWDFUBKIJ-HXUWFJFHSA-N 429.951 6.394 0 40 IKAB Fc1ccccc1[C@@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 10336740 SOEVTCLAOPWVQX-UXHICEINSA-N 437.887 5.087 0 40 IKAB COc1ccc(C(=O)CSc2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc1 11695025 BVGRZBUVWYOVTL-UHFFFAOYSA-N 444.603 5.030 0 40 IKAB COc1ccccc1-c1cc(C(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)no1 12185280 KNZJNPHTZXERJK-IBGZPJMESA-N 449.532 5.824 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 12411863 AYDHDEICWWFEHF-DEOSSOPVSA-N 429.907 5.879 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1Cl 12630692 WJSOFDVPGAKEGE-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB COc1ccc(CN(Cc2ccco2)C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)cc1 12866316 YEEQIDRCKNGTNY-BLPSWELGSA-N 449.591 5.605 0 40 IKAB biogenic COc1cc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc(Cl)c1OC(C)C 12925536 SDWVMGKOPSSNQK-LJQANCHMSA-N 445.943 5.274 0 40 IKAB CC[C@@H](C)c1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 13022390 GKHIMJVZGKSSLM-DWXRJYCRSA-N 445.588 5.267 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3ccc(C)c(C)c3)c2n1 13095429 GZCORBJAUFKSCC-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccccn1 13502134 CLRQLFWAMDMZPW-VWLOTQADSA-N 445.538 5.053 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1 13615073 JALKQRRLGKTKIG-KMDXXIMOSA-N 425.355 6.617 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 13758231 JEQQFEUEUJJGBJ-DVECYGJZSA-N 434.879 5.320 0 40 IKAB Cc1sc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)n(C(C)C)c(=O)c2c1C 14183581 RINJNFGSCBLYRJ-LBPRGKRZSA-N 432.596 5.621 0 40 IKAB Cc1nc(COc2ccccc2C(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)no1 14776164 JAAHUMHYFSONIO-UHFFFAOYSA-N 440.912 5.295 0 40 IKAB COc1c(Br)cc(Br)cc1CNCCc1c[nH]c2ccccc12 16194485 ZIQPBFWWAFIANP-UHFFFAOYSA-N 438.163 5.034 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)CCC(C)(C)Cl)cc3)oc2cc1C 16284199 LDQOFIPKGIEWHN-UHFFFAOYSA-N 429.973 5.722 0 40 IKAB O=C(O)c1cc(NC(=O)c2cccc(Cl)c2)cc(NC(=O)c2cccc(Cl)c2)c1 16398807 ZMIRESWHYNVTHC-UHFFFAOYSA-N 429.259 5.196 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OCC)c1 16751116 YPIHILZJISDGLO-DEOSSOPVSA-N 449.547 5.572 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1OCC 16751937 GAAMYJWNMPSEPA-DEOSSOPVSA-N 449.547 5.716 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1Br 17094699 NSPFRZAOCRKLMG-UHFFFAOYSA-N 426.097 5.972 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 17097204 MKHBYSUTNRRXMV-UHFFFAOYSA-N 430.744 5.122 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 17099673 YGCYUXXMXQOEDZ-AWEZNQCLSA-N 435.574 6.197 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccco3)c1)O[C@H]1CCCC[C@H]21 17724525 UOWXKHBODKGGSD-MHPIHPPYSA-N 433.504 5.695 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)Cc2ccccc2)cc1 19635395 ITIPBBZWMDLLMZ-UHFFFAOYSA-N 442.342 5.946 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(F)ccc2C)C2CCCCC2)c(C)c1 20013510 AOPZLOBAHOXNSP-UHFFFAOYSA-N 446.588 5.021 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 20111706 VCYLUWWVUJRDTH-FPOVZHCZSA-N 425.569 5.385 0 40 IKAB biogenic Fc1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1Cl 20183442 CPFQOOGNINEQSW-UHFFFAOYSA-N 441.815 7.052 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccc(F)cc5)o4)cc3n2)cc1 20609963 QYACIDJPFRAKRJ-NTCAYCPXSA-N 438.462 5.780 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1)CO3 20610204 YCQCQEFCFMNFOT-UHFFFAOYSA-N 425.528 5.395 0 40 IKAB biogenic CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)cc1 20970160 YOLHVZXULNEPPF-DEOSSOPVSA-N 442.950 6.180 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 22245503 WLKOLHPXJXLJKG-UHFFFAOYSA-N 425.863 6.144 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(C)c(C)c3)n2)cc1 22460564 RJJVRHJXKXNIKQ-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 24735462 SPNKSVRWVUMQDN-AWEZNQCLSA-N 445.346 5.356 0 40 IKAB C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 24747524 OKGXKLNFUIWVPL-INIZCTEOSA-N 445.544 5.117 0 40 IKAB CC[C@H](C)c1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 32906594 MNXVFMVXAVTYON-MRDQGFSESA-N 448.588 5.431 0 40 IKAB CC(C)(C)[C@@H]1CCC[C@H]2C1=NN(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F 35999492 KKBBMOZXYZHLCD-QEEYODRMSA-N 441.494 5.839 0 40 IKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 38753412 NZGBBLVAWNMDIC-QGZVFWFLSA-N 435.951 6.275 0 40 IKAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(Br)c(Br)s1 40069848 NRYGVPJOKGDGFB-SECBINFHSA-N 433.165 5.115 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 44087479 XAZXJVTVZYVSQF-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1SCc1ccccc1 44874619 RKAHBPUMHNWNRR-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB O=c1c2sccc2n2c(SCc3cccc(Cl)c3)nnc2n1Cc1cccs1 45924489 CJFQKKPGXZTVMR-UHFFFAOYSA-N 444.994 5.161 0 40 IKAB O=Cc1ccc(OC(=O)[C@H]2C[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)cc1 100930683 WYZONEKYHPKPHC-IIMNLJJBSA-N 448.944 5.256 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 101188676 MXBWENSSVWNTAQ-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 101189326 IDYHJRKCOLVQOU-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 102281012 LJOFLXROIMSYJZ-HRCADAONSA-N 444.572 7.102 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3cccc(F)c3)C2=C(O)C1 102876679 KEOYABRPFHVFFV-AREMUKBSSA-N 440.518 6.932 0 40 IKAB Cc1ccc(N/C=C2/C(=O)N(c3ccc(-c4ccccc4)cc3)C(=O)c3ccccc32)cc1 102931569 GSBZFSVRWPNFDN-ZXVVBBHZSA-N 430.507 6.302 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/Nc3c(C)cc(C)cc3C)c3ccccc3C2=O)cc1 103005046 KVLMKHIEUWSTKG-LFVJCYFKSA-N 426.516 5.651 0 40 IKAB CCCCCc1c2c(c(CCCCC)c3c1-c1cccc4cccc-3c14)-c1ccc(C)cc1C2 103916004 KLOUNGJSEFBOGF-UHFFFAOYSA-N 444.662 9.832 0 40 IKAB CCc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 141032402 QMKQIOUMVOCPMH-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB Oc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1Br 218892052 PVQUOOMZPMCQIB-UHFFFAOYSA-N 425.935 5.836 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2cccc(Cl)c2)c1C 222816764 DPGCGRNWULAMAX-GOTSBHOMSA-N 439.028 5.832 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223028214 VHERHBNMXZKMTE-VQTJNVASSA-N 448.375 5.267 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 223453527 UJMKCUDFOVPCMN-DHIUTWEWSA-N 445.979 5.093 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)N1CCCCCC1 224025694 CSDVNVMUZWZGKO-UHFFFAOYSA-N 448.588 5.064 0 40 IKAB Cc1cc(C(=O)N(C)Cc2ccc(C(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 224089355 YANXCHFXBCRNQY-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 224421251 SZLNBEIZTONKHO-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB Cc1cccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)c1 224485101 DMRMLZWNZSVZBL-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 224494702 HAPGHRCPXBNSJL-LJQANCHMSA-N 437.967 6.069 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(OC)c3)c2)cc1 224590282 JSWSKZMQJYOATN-UHFFFAOYSA-N 449.503 5.102 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(OC)cc1 224596121 ZSOZLEQSWGKOFK-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225126896 XLQHBONXUSBBCV-GOSISDBHSA-N 445.028 5.298 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225398334 DJYCAKCAHSDDOS-HWWKNPRSSA-N 429.604 6.439 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1 225507109 ACBIWCFELSMDLU-VWLOTQADSA-N 429.589 5.506 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225751534 XKKLBWWEDSFKLC-DEOSSOPVSA-N 435.951 6.807 0 40 IKAB COC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)ccc1Cl 225768638 MAFOUUBERKEFJT-JOCHJYFZSA-N 438.980 5.819 0 40 IKAB COC(=O)c1cc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)ccc1Cl 225861646 ODBSOPXMPRHYEW-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(OC)c1 226337011 CLGOPYWUGPQRDV-BQYQJAHWSA-N 425.706 5.266 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(OC)ccc4OC)C3)c2)cc1 257208717 BNJKMQKOLTWNGE-HXUWFJFHSA-N 446.547 5.103 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cnccc23)CC1)C1(c2ccccc2F)CCOCC1 257284596 PDIRWCBBXJGQBU-NRFANRHFSA-N 446.566 5.294 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccccc2OC(C)C)C(=O)O)n[nH]1 408631780 LJWIUHSPJXBDHJ-ZDLGFXPLSA-N 445.928 5.139 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(Cl)cc2)cc1 408696362 AJNSKTRIZUTURG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cc2c(cc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)CCCC2 408979598 NCXWPYWUTBCGEF-HSZRJFAPSA-N 428.532 5.074 0 40 IKAB Cc1ccc(C)c(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 409112514 GPOBUJYULKZFDQ-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CCc1ccccc1NCc1cc(Cl)ccc1OCc1ccc(Br)cc1 409117807 NFVKAEDBYHLQJZ-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2CC)cc1 409161416 UTYZCJMIUZLGQC-INIZCTEOSA-N 442.560 5.179 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409269369 IAYHJJDYHQNDLJ-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 409339635 XKUKOSHNZDIFTJ-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1cccc(Br)c1 978189 GEMYDOSZPPVEOH-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1C 982770 KJGXEVCXVFEGOV-AREMUKBSSA-N 430.573 5.372 0 40 IKAB aggregator Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccccc2Cl)c(C)c1 1357343 KMDKDAJAZXANKD-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB COc1ccc(C2=C(Cl)C(=O)N(c3ccc(Cl)cc3)C(=O)C2(Cl)Cl)cc1 1584234 YBWYFVVHSPQRSV-UHFFFAOYSA-N 431.102 5.046 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(Cl)cc1 2107865 SOINOCXNLYPANA-UHFFFAOYSA-N 443.952 6.205 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2cnccn2)cc1 2328245 GKLCBXXOYSMTGY-UHFFFAOYSA-N 438.354 5.088 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2cc(OCC(=O)OC(C)(C)C)ccc2c1=O 2411198 SXYSBOVNFUEXEI-UHFFFAOYSA-N 426.465 5.013 0 40 IKAB biogenic CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 2447819 ZKAMMAMRFDENDU-SFHVURJKSA-N 445.972 5.824 0 40 IKAB COCCn1c(C)cc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c1C 2642510 HUBQPRJJSRLPRR-UHFFFAOYSA-N 448.544 5.068 0 40 IKAB O=C(NCCN1C(=O)S/C(=C/c2ccccc2)C1=O)c1sc2ccccc2c1Cl 2664563 FLOBOVSPCNQEOV-FOWTUZBSSA-N 442.949 5.021 0 40 IKAB COc1ccccc1-c1coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O 2667597 QEKCYUKCBUTZMA-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O 2704166 NVKOFZIYLILVTP-JOCHJYFZSA-N 431.875 5.206 0 40 IKAB CCCCc1ccc(C(=O)Oc2cccc(OC(=O)c3ccc(CCCC)cc3)c2)cc1 3115885 FYWBVAQVYNHLQX-UHFFFAOYSA-N 430.544 6.810 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCC(=O)N1CCC(Cc2ccccc2)CC1 3265362 AHPXRGXIGULLBL-VQHVLOKHSA-N 432.347 5.031 0 40 IKAB COc1cccc(N(C(=O)c2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)c1 3269106 ZISZGYIQEXIEOX-UHFFFAOYSA-N 436.536 6.950 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)cc1C 3294703 KFYYLFBETULEBK-UHFFFAOYSA-N 440.413 5.698 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3298043 YRFLFYCDFDYKJO-GOSISDBHSA-N 444.556 5.200 0 40 IKAB O=C(OCc1ccc(Br)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 3300757 QVKPQLMOKBVYLB-UHFFFAOYSA-N 433.305 5.659 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1c[nH]c2ccccc12 3307505 YHLNDZHZSWOMGT-UHFFFAOYSA-N 438.940 5.302 0 40 IKAB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3338293 QZAMIBBCMBUXCI-ZPMKCOPCSA-N 430.234 5.178 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 3353135 QUQFTCZBSPEFCH-UHFFFAOYSA-N 443.286 5.156 0 40 IKAB O=c1cc(CSc2nc(-c3ccc(F)cc3)cs2)nc2ccc(Br)cn12 3406530 FPSTUIKLOKLVKY-UHFFFAOYSA-N 448.342 5.012 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C 3851326 WKGUHYADFSJSGL-MAHKQDMRSA-N 426.685 7.880 0 40 IKAB Cc1ccc(Cn2nc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)oc2=O)cc1 4105423 PYMUZCQMSUXGES-UHFFFAOYSA-N 441.314 5.746 0 40 IKAB COc1ccc(Cc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 6973642 VYWCIMWKAUSGEK-UHFFFAOYSA-N 443.613 5.255 0 40 IKAB Ic1ccccc1/C=C\c1ccccc1I 8384015 USIHSGFBWDCXLN-KTKRTIGZSA-N 432.042 5.066 0 40 IKAB CCOc1ccc(/C=C/c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)cc1OC 8398612 AHRCREYJSUBJCF-NTEUORMPSA-N 445.946 7.045 0 40 IKAB FC(F)(F)c1ccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 8665360 LGQMKKMMRJOBOG-YLGSBGTBSA-N 426.482 6.367 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC)c4)cc3n2)c(C)c1 8832213 YMPNKUCJMWGNLZ-UHFFFAOYSA-N 443.551 5.144 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9145746 YIYRQCUYSZKBIQ-AWEZNQCLSA-N 439.751 6.026 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 9272470 RRWMNGIIWKLPLX-KRWDZBQOSA-N 446.414 5.255 0 40 IKAB COc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(C)cc2)cc1 9308520 GDYOYIZLBVOLJH-UHFFFAOYSA-N 427.533 5.420 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)c1 9309047 VFRUBLYLJGPJLD-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 9340900 VZIMMIHCLMRDTA-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB C[C@H](NC(=O)CN(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl 9390308 CULGIHAOBXRZFM-OALUTQOASA-N 449.982 5.463 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 9684452 TZEZZBBNNZDYTI-GFCCVEGCSA-N 446.935 5.200 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1 10212763 OSRIPQWLLGGIFV-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)no1 12541752 QUHHTQVZRUUGBA-UHFFFAOYSA-N 438.940 5.528 0 40 IKAB Cc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n(-c2ccccn2)n1 12562539 HEMQZYFBTKTXNM-UHFFFAOYSA-N 439.906 5.697 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1 12563740 KJYBIOCXRGKBTE-UHFFFAOYSA-N 440.341 5.249 0 40 IKAB Cc1c(C(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)oc2c(F)cccc12 12755467 PJIPJCYHBNVSAP-HXUWFJFHSA-N 430.483 5.176 0 40 IKAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1ccc(Cl)cc1C(F)(F)F 12756445 WSNZJJVSLWHNNM-CQSZACIVSA-N 432.895 5.040 0 40 IKAB CCc1cc(=O)oc2cc(Oc3nc(CN4CCCC4)nc4sc(C)c(C)c34)ccc12 12819209 OPSVZSIJCZDNCD-UHFFFAOYSA-N 435.549 5.365 0 40 IKAB COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 13026864 KWXALXYSWKQGDZ-RUZDIDTESA-N 446.547 5.039 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)OC(=O)c3ccccc3OC(F)F)n2)cc1 13063008 BGLDIOSMDUEJSB-CYBMUJFWSA-N 446.475 5.158 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1)c1cccs1 13110015 QBYMFUPKCHTBOO-UHFFFAOYSA-N 431.517 5.161 0 40 IKAB COc1ccc([C@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2)cc1 13117518 MKYDRZHCVKEDQX-XMMPIXPASA-N 442.540 5.528 0 40 IKAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 13501102 QVJUBDFICNBBOH-HSZRJFAPSA-N 448.615 5.224 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 14117509 SQDQTLTYUFZODQ-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 15946365 GCEMVDDEIAMELI-QFIPXVFZSA-N 447.560 5.163 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 16684968 KAJGHGQZMALQBY-INIZCTEOSA-N 432.549 5.260 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)cc1C 16955763 ZVOZYMGHKFYHTL-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 17101248 CLGSWKYWAGWRLI-LLVKDONJSA-N 437.417 6.848 0 40 IKAB O=C(NCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 17910518 IVWKXCZZTIROMX-UHFFFAOYSA-N 446.978 5.141 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)c1 19294058 KJVBPRYMOXRYBT-XMMPIXPASA-N 440.526 5.544 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc12 19635102 FIBWMKBGXYAGDC-UHFFFAOYSA-N 441.962 5.826 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144229 AHRPOVHMQADOOI-UHFFFAOYSA-N 426.683 5.417 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411012 BWPUETJHKJTOFX-UHFFFAOYSA-N 435.505 5.573 0 40 IKAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2Cl)cc1 26465395 JNTDMWIEZJTRFZ-PGRDOPGGSA-N 426.944 5.014 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(-c4ccc(Cl)cc4)o1)N(C)CC3)OCO2 26921246 AAIORRSUGSIROQ-KRWDZBQOSA-N 439.895 5.139 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)on2)cc1OC 27985759 QYCCHBVILBAZBP-UHFFFAOYSA-N 426.856 5.628 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)o1 29357484 QJSGRVYKHBCDDI-GOSISDBHSA-N 443.575 5.027 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 30755015 KDXVWMGHYWCOES-NRFANRHFSA-N 441.575 5.101 0 40 IKAB Cc1ccc(OCCC(=O)Nc2cccc(C(=O)N3CCc4sccc4C3)c2C)c(C)c1 32461688 UWSJVSYCCPEYIN-UHFFFAOYSA-N 448.588 5.279 0 40 IKAB CN(Cc1ccccc1NC(=O)Cn1c(-c2cccs2)n[nH]c1=S)C1CCCCC1 32902904 VQWXVKLJIOPXOM-UHFFFAOYSA-N 441.626 5.072 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3cccnc3)cc2c1 35315995 XWOJLLIRWUKIBP-UHFFFAOYSA-N 449.913 5.664 0 40 IKAB O=C(c1ccccc1)[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN21 35391991 UZPDVSAKHDABOA-RPLLCQBOSA-N 438.914 6.246 0 40 IKAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 44918387 FVWKAQJTYHSRNA-OAQYLSRUSA-N 447.406 5.624 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)n2)cc1 46018766 FNPVUIXSVMMRJP-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)cc1C 67260378 KJGGAPPNOWRHNH-UHFFFAOYSA-N 434.546 5.210 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72215280 UQAWHMWFWLWRLJ-PKOBYXMFSA-N 433.593 6.084 0 40 IKAB CC(=O)c1ccc(NC(=O)CCN2CCC(c3nc(-c4ccccc4)c(C)o3)CC2)cc1 72305227 GTPKJTWTYBTUET-UHFFFAOYSA-N 431.536 5.061 0 40 IKAB OCCCn1cc(CN2CCC[C@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 72353189 HETZVIQGCYTTBZ-VWLOTQADSA-N 445.542 5.034 0 40 IKAB CCCCS[C@@H](C)C(=O)Nc1cccc(F)c1CNC(=O)[C@@H](C)SCCCC 79016008 RTWDVFRSDOJFBT-CVEARBPZSA-N 428.639 5.224 0 40 IKAB COc1ccccc1[C@H]1c2ccc3ccccc3c2Oc2ncn(Cc3ccco3)c(=N)c21 101362504 QUSBJULTYTXUHJ-QHCPKHFHSA-N 435.483 5.452 0 40 IKAB Cc1sc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)nc1-c1ccccc1 102095176 UQTWSXFVVMGTFJ-KILAXVPQSA-N 445.426 6.181 0 40 IKAB CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2C2CC(C)(C)NC(C)(C)C2)cc1 102449819 QBXODELANDBSPY-PNHLSOANSA-N 435.637 6.329 0 40 IKAB C[C@@H]1CC2=Nc3ccccc3N(C(=O)COc3ccccc3)[C@@H](c3ccco3)C2=C(O)C1 102602383 YRJQLCBYFLJOIC-QUGAMOGWSA-N 428.488 5.761 0 40 IKAB BrC1=C(c2ccccc2)[C@H]2CCCC[C@@H]2[C@]1(Br)c1ccccc1 104136139 BPNRCGIFCBGTDU-BBTUJRGHSA-N 432.199 6.903 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(Cl)c(Cl)c1 108255636 VHYSWFCIGDBACI-UHFFFAOYSA-N 428.772 5.374 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 219838639 QNBFCWRRJBTLHV-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222677566 MEHIRAUGJNUTQN-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222861718 FQJOJYYVWFKWNY-DHIUTWEWSA-N 439.028 5.833 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 222921000 RNVPNEYTJFLDIC-IBGZPJMESA-N 443.609 5.897 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 222997820 JPXNXAMXUJVBQX-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(I)cc1 223007939 RXUXRWUFJVTUOO-INIZCTEOSA-N 429.685 5.049 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223045999 ALRXPMYIJYYFPE-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCCC2)cc1 223421618 PFWWEBQVNBSXOO-UHFFFAOYSA-N 430.570 5.106 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 223609675 OXMZESVLHPAVRH-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 223809499 WZMHRGAEBZAFQP-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223814669 MECIDRHVQSYRSB-GOSISDBHSA-N 445.028 5.217 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(Br)cn1 224000420 FOIATLYTCSLCHW-UHFFFAOYSA-N 438.822 5.686 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NCC(C)C)c1 224112932 UDMIMDGZIMWVTI-QFIPXVFZSA-N 440.653 5.035 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccco1 224157731 LJUUFMAWRDDRHM-RPWUZVMVSA-N 428.561 5.318 0 40 IKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(C(C)(C)C)cc1 224181889 PJSCQKZDMUWOEV-UHFFFAOYSA-N 425.475 6.102 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224234977 YOOQGZMPKYEPME-UHFFFAOYSA-N 431.576 6.993 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 224422118 XRXZOFUUEONDRD-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cc(C)cc(C)c1C 224614394 LFFHBISBBKIOJG-UHFFFAOYSA-N 429.560 5.788 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COCC(C)C 224742414 JZVZDCSUIJNQQS-UHFFFAOYSA-N 429.866 6.182 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1Cl 225029458 PDVZODGVPSPSEB-DHIUTWEWSA-N 437.996 6.219 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225061435 PMLFRMYJHQYUDR-SANMLTNESA-N 434.624 5.411 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225080068 IXPGVFWBNWZHSV-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225585395 PYOWVERGEDJWDU-VGSWGCGISA-N 432.967 5.052 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225609906 MYSLLCHNISBJCV-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 225643403 RAEXKRZFJFPCLE-CVDCTZTESA-N 444.616 5.089 0 40 IKAB COc1cccc(Nc2ncccc2C(=O)N2CC[C@H](Cc3cccc4ncccc34)C2)c1 257268795 MNFPCPKNLADZAF-LJQANCHMSA-N 438.531 5.087 0 40 IKAB S=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408574940 NCZVPACRFWPXSG-CQSZACIVSA-N 430.784 5.670 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408696818 CEVHRUDGCRBQEF-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1 408725019 NPALRTVTDXSMKS-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1ccc2ccccc2c1 409007086 NMBFYXVHNNFQCH-UHFFFAOYSA-N 445.544 5.411 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2cccc3ccccc23)o1 409016694 RIPWDZQQVQXBGN-ZDUSSCGKSA-N 431.344 6.962 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1cccc(C)c1 409134772 PUFZIRAIEWEDTL-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OCc1ccccc1 409143537 MPGCJWOSNHETFU-HZHRSRAPSA-N 437.561 5.891 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3ccc(Cl)c(Br)c3)c(=S)o2)cc1 409171364 ZSXVWEKDJXMTJW-UHFFFAOYSA-N 438.734 5.236 0 40 IKAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409175244 YLNFHXZILGCOBH-UHFFFAOYSA-N 444.553 5.056 0 40 IKAB CC(=O)c1cc2c(cc1C)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 584906165 BEUFYPKEKHTSGD-HNNXBMFYSA-N 438.618 6.218 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Nc1cc(F)c(F)cc1F)CC2 591520573 UDOKVEOMSAGPMW-HSZRJFAPSA-N 442.437 5.301 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc2ccccc12 1615055676 KZZOIKVLHMOLJX-SBUREZEXSA-N 442.481 5.109 0 40 IKAB Cn1nc(C(C)(C)C)c2cc3c(F)c(F)c(-n4cc(CO)c5ccccc54)c(F)c3nc21 642853 POYPDRPEOQOBRL-UHFFFAOYSA-N 438.453 5.273 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCc3ccccc3)cc2c1 884594 IOOQMRDKTWROJO-UHFFFAOYSA-N 447.629 5.283 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 885050 BXQRHJDNWPHNJO-QFIPXVFZSA-N 449.620 5.140 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 888199 PTKAGHZRNYWSFR-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3OC)cc2c1 1327150 AVZDJZASXALUKW-UHFFFAOYSA-N 447.560 5.395 0 40 IKAB O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1cccc(C(F)(F)F)c1 1396495 JUOJNPCRNXOOIV-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB Nc1nc(-c2cc(-c3cccc4ccccc34)nc(N)n2)cc(-c2cccc3ccccc23)n1 1588361 YBUAALSUKVNQFM-UHFFFAOYSA-N 440.510 5.738 0 40 IKAB in-vitro Cc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2C)cc1 2191444 RYXNQVHDQHCAMD-UHFFFAOYSA-N 442.588 5.780 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc(Cl)c1 2232447 OIZHZDPLNOYABE-UHFFFAOYSA-N 425.872 5.414 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cccc(Cl)c2Cl)cc1 2346250 DGAFTSVZDSAWCT-UHFFFAOYSA-N 441.314 5.458 0 40 IKAB Cc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1C 2648557 KYDGSCAWRDXKIU-UHFFFAOYSA-N 426.438 5.756 0 40 IKAB Sc1nnc(COc2ccc3cc(Br)ccc3c2)n1CCc1ccccc1 2791615 RPYYVXVGOXERFR-UHFFFAOYSA-N 440.366 5.304 0 40 IKAB O=C(Nc1ccccc1)c1cccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1=O 3134464 IMFOKIXKOYEFRG-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB O=C(COC(=O)C1(c2ccc(F)cc2)CCCC1)Nc1cc(C(F)(F)F)ccc1Cl 3264748 IYJQBLNVEWOTLH-UHFFFAOYSA-N 443.824 5.492 0 40 IKAB CC(=O)Nc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cnc3ccccc32)cc1 3280207 JWCRRTRVAWGRSH-UHFFFAOYSA-N 438.409 5.255 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 3280820 AVMPRXQGOSWDAJ-UHFFFAOYSA-N 445.422 5.395 0 40 IKAB O=c1cc(CSc2nnc3sc4ccccc4n23)c2ccc(Br)cc2o1 3426176 PMBVVWKDMREZAD-UHFFFAOYSA-N 444.335 5.105 0 40 IKAB CCCCCCOc1cc(Cc2nn[nH]n2)c(OCCCCCC)cc1Br 8452922 WRINDNIDOXTAFA-UHFFFAOYSA-N 439.398 5.471 0 40 IKAB C[C@@H](Cc1ccc(Cl)cc1)NCCO[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 8748945 XIRRZPCWSNKZAJ-BXKMTCNYSA-N 432.366 6.459 0 40 IKAB COc1cc(Br)cc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c(=O)oc12 8763802 FUCBRHQPSFKWQG-UHFFFAOYSA-N 443.080 5.123 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 8832202 IETLMMAFKYHXIK-UHFFFAOYSA-N 442.563 6.284 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 8871405 ZQZHLJCNQCPVQT-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@H](C)Cc3c[nH]c4ccccc34)c(C)c12 8879913 MQYLIHOPRQVRBS-MRXNPFEDSA-N 442.515 5.236 0 40 IKAB biogenic Cc1cc(Br)cc2c(C(=O)NC3CCCCC3)cc(-c3cccs3)nc12 8919315 LVTXTAWFTHXMKP-UHFFFAOYSA-N 429.383 6.097 0 40 IKAB CCCCOC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 8935110 IHTOFRUEJOWNND-PTGBLXJZSA-N 426.516 5.446 0 40 IKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccc(F)cc1 9327661 OGPJLYPJKYTPSL-UHFFFAOYSA-N 438.252 5.614 0 40 IKAB Cc1cc(SCC(=O)Nc2ccccc2C)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9345615 GGZXJPRJLJTZTL-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB CC[C@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1C 9390745 LIHLQQNETDQXMK-AWEZNQCLSA-N 444.988 5.058 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)c(Cl)c1)Nc1ccccc1 9599256 GOTJPICCMKDFOB-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 9666674 KWSSQRZDXYRISD-UHFFFAOYSA-N 427.529 5.271 0 40 IKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1ccc(OCc2ccccc2)cc1 9805731 GLNCSXAXGWUCBX-UHFFFAOYSA-N 448.364 6.041 0 40 IKAB Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 10362211 QXLULYNVYBHQFP-LBPRGKRZSA-N 449.787 5.057 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(-c4ccccc4)cc3)c12 11866660 FWPHNYHXTWDVDJ-UHFFFAOYSA-N 426.512 6.373 0 40 IKAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 12160643 VGKIPOLCLWTSDN-RLLQIKCJSA-N 448.533 5.166 0 40 IKAB COc1cccc(-c2nnc(SC[C@H](O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 12264710 VHAYJUALHNIUCX-NRFANRHFSA-N 437.952 5.422 0 40 IKAB Cc1cccc(C)c1OCCCCn1c(CN(C)C(=O)c2ccco2)nc2ccccc21 12539315 IICAMCPOKFYCGN-UHFFFAOYSA-N 431.536 5.378 0 40 IKAB C[C@H]1C[C@@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)C(=O)O1 12599618 JVYSRNRPBBQUBS-HXPMCKFVSA-N 437.908 5.401 0 40 IKAB CCOC(=O)N/N=C(/C)C1=CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 12654997 BHLVYDMAVBWYJH-NFBYZHFNSA-N 442.600 5.539 0 40 IKAB biogenic CCc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3cccc(C)c3)N2C1=O 12866172 HNFSUUJPILPBLM-AHWVRZQESA-N 435.527 5.522 0 40 IKAB biogenic CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cc1 13006408 VBGCBVUACYDARU-JOCHJYFZSA-N 440.540 5.683 0 40 IKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl 13032135 CYLLRVNBKAQTDL-VWLOTQADSA-N 449.982 5.516 0 40 IKAB COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccco4)N4CCCCC4)c23)cc1 13095514 HYPPXJZJXADJLG-FQEVSTJZSA-N 434.565 5.599 0 40 IKAB O=S(=O)(NC[C@@H](Sc1c(Cl)cccc1Cl)c1ccccc1)c1ccccc1 13150427 MIPVCGFNLAYTOB-LJQANCHMSA-N 438.401 5.805 0 40 IKAB COc1cccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13284022 LOMYSYLZMYLOKK-UHFFFAOYSA-N 441.862 5.284 0 40 IKAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 13669866 VDAVDTXKXAZTTQ-UHFFFAOYSA-N 428.576 5.006 0 40 IKAB Clc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Br)cc3)[nH]2)cc1Cl 13801265 HGHRYEYNIQBPLY-UHFFFAOYSA-N 444.159 7.480 0 40 IKAB COc1cccc(-c2nc3ccccc3c(=O)[nH]2)c1OCc1ccc(Cl)cc1Cl 13941995 UPVRWFDEMHVTJH-UHFFFAOYSA-N 427.287 5.485 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 14398217 SZJABXUOCUJUFG-AWEZNQCLSA-N 437.321 5.303 0 40 IKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2ccccc2o1 15018959 DCIUASRUMOODDZ-UHFFFAOYSA-N 428.517 5.595 0 40 IKAB COc1cccc(NC(=O)c2c(-c3cccnc3)nc3ccccc3c2-c2ccccc2)c1 15453824 MKTVIZKMVHADAC-UHFFFAOYSA-N 431.495 6.225 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)c2O1 15881160 QHQKALNIUSZTHD-UHFFFAOYSA-N 442.342 6.538 0 40 IKAB Cc1cc(C)cc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2C[C@@H]2CCCO2)c1 15912612 VJYMYELNDAIHHQ-UOODYVSWSA-N 430.520 5.846 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 16039417 JDQHBPWQKKQQIU-SCLBCKFNSA-N 448.589 5.029 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C(C)C)cc1 17095242 IELRQVAMHWJIQE-UHFFFAOYSA-N 427.136 5.596 0 40 IKAB Cc1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cccc1-c1nc2ccccc2s1 17098777 XNSZYZGHKIHHBZ-UHFFFAOYSA-N 434.389 6.220 0 40 IKAB CCCN(CCC)c1nc(Nc2ccc(OCC)cc2)c2cnn(-c3ccccc3)c2n1 17271735 HMKDGGVOXAJJAS-UHFFFAOYSA-N 430.556 5.584 0 40 IKAB CCN(C(=O)c1cnc(C)cn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712005 PQBFNDQOXADGBP-LADGPHEKSA-N 437.490 5.113 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(F)cc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 20058921 NRPXUQNFIIKJER-OSPHWJPCSA-N 443.478 5.654 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411087 IGXVDOPDYORPGD-CQSZACIVSA-N 435.505 5.571 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cc(Br)ccc1Cl 20610343 KNHAOOPPXLEQIY-UHFFFAOYSA-N 445.679 5.228 0 40 IKAB O=C1N(CC2CCCCC2)c2ccccc2[C@@]12CC(O)=Nc1c2cnn1-c1ccccc1 20717754 SXCSPBBLYGPHOG-AREMUKBSSA-N 426.520 5.077 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(Cl)cc1Cl 21577184 DSLFCXPCVXWJNE-UHFFFAOYSA-N 426.344 5.250 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)COc4cc(C)c(Cl)c(C)c4)ccc3o2)c1 21579470 LDHCQMRJITZQMI-UHFFFAOYSA-N 436.895 5.791 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1SCc1ccsc1 21964651 TZPZGVRGJGXXEU-UHFFFAOYSA-N 433.602 5.557 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCC(C)CC1 26118211 LPZRLGAOENWWGM-UHFFFAOYSA-N 446.638 5.205 0 40 IKAB CCOc1ccccc1NC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 27664162 NWZQMVIBOQSRGC-UHFFFAOYSA-N 434.348 5.727 0 40 IKAB O=C(NCc1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccc(Br)cc1 30836262 LTCMLDNQCALLJA-UHFFFAOYSA-N 425.109 5.946 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 32109337 ZDOAALYAUIOHFD-UHFFFAOYSA-N 448.950 6.772 0 40 IKAB Cc1cccc(CSCc2ccc(-c3nc(-c4ccc(Br)cc4)no3)o2)c1 33021792 HLCHESMUYIZMDI-UHFFFAOYSA-N 441.350 6.501 0 40 IKAB CCc1ccc(-c2ccc(SCc3nc(-c4cc(OC)cc(OC)c4)no3)nn2)cc1 33262472 FWNPPRYAULSHKG-UHFFFAOYSA-N 434.521 5.066 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1C 33636393 BKJCKFFBHAKJGN-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCCC1 33853821 NBUCHLHJHJHRSK-UHFFFAOYSA-N 434.590 6.495 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2cc(C)c(C)cc2C)s1 35131962 KMXJZMZEEIXZOB-MRXNPFEDSA-N 427.595 5.969 0 40 IKAB O=C(Nc1c(F)cccc1F)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38536187 ZGYCEMLMVHVWSH-UHFFFAOYSA-N 438.400 5.277 0 40 IKAB Brc1ccc(C2=NN3[C@H](c4ccc5c(c4)OCO5)Oc4ccccc4[C@H]3C2)cc1 39579409 JVBXJTQXWYXJBP-XXBNENTESA-N 449.304 5.420 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(C)cc2)n1-c1ccc(OC(F)(F)F)cc1 44087992 IGXKQMKBBRWRQC-UHFFFAOYSA-N 436.455 5.402 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 45943392 ASNJTDRZHHBAPR-UHFFFAOYSA-N 431.355 5.706 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(CC(F)(F)F)c3ccccn3)c3c(C)noc3n2)s1 48279537 QSLVFCWGTXKNFN-UHFFFAOYSA-N 432.427 5.172 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 57313260 DUSYLEOPJUZWDO-UHFFFAOYSA-N 436.577 6.094 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1OC 57994948 JYJULOWCDVMHGT-UHFFFAOYSA-N 437.315 5.052 0 40 IKAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 58173640 QVAHQQLDJIPAIJ-JOCHJYFZSA-N 444.522 5.012 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N(Cc1ccccn1)c1ccc(Cl)cc1 59784843 KELKHTVJOIQOFD-UHFFFAOYSA-N 444.844 5.337 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1ccc2oc(C)cc2c1 72370395 ZPDHPIQJBAUZKG-LJQANCHMSA-N 446.572 5.553 0 40 IKAB O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 85382169 FHPOUOHFLMWVQY-UHFFFAOYSA-N 432.487 5.076 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1OC 100563711 LVZMIAHNYYARKX-RBZQAINGSA-N 441.354 6.236 0 40 IKAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 214337725 YXMCPHCNXSIPBD-LICLKQGHSA-N 436.302 5.223 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)c(Br)c1 218859328 RISXAEYQEQJSOY-UHFFFAOYSA-N 438.365 5.619 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222894336 OZPLLYUCIJVSPY-WOJBJXKFSA-N 432.376 6.031 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 223344877 XLYTUDYWALMTER-JOCHJYFZSA-N 445.003 5.221 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223396133 MNXBSWGFVWUJPH-LOSJGSFVSA-N 440.572 5.054 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 223793261 ZWLZSYLMCOPNBR-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223825584 SACWAHZQQXPXCP-DQEYMECFSA-N 446.620 5.964 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1 223957561 YRHILEVGECEQBX-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223960407 NOFKITJUDFEZCI-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 224545977 HFLSMNOHJSJUAV-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 224692450 HHAKQQNEPMGONP-DNQXCXABSA-N 443.597 6.421 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225131742 DCUJXHHDTVORNW-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 225578991 HAECEYDVBLMFBF-XXBNENTESA-N 444.616 5.089 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225768680 ZPKMTMAXPSCIBF-JOCHJYFZSA-N 438.980 5.819 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225859877 OOZFWVHVKKWBIW-LJQANCHMSA-N 427.957 5.533 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)c1 225862090 SDSYVVLYLNVFMG-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)NC1CCCCCC1 226010809 YOBDJGBJHPMGCA-UHFFFAOYSA-N 439.629 5.659 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)o1 257233354 GOXUISNBNKORQU-GOSISDBHSA-N 447.510 5.223 0 40 IKAB O=C(c1cccs1)N1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 257241355 HXTQQUKIPOJMOB-ONTIZHBOSA-N 438.543 5.157 0 40 IKAB CC(=O)O[C@@H]1C(=O)CCc2c1ccc1c2CC[C@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C 257349287 NBPHAHNFMOQFSI-VZDTUZETSA-N 438.652 6.961 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560869 FJABPKGELLZUPW-LVWGJNHUSA-N 449.403 6.246 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccccc1Oc1ccccc1 408562656 DWEBEIBIVAQUMS-UHFFFAOYSA-N 428.351 6.113 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408571590 BTEQGFQIAJZDHP-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CCN(Cc3ccccc3)CC2)CC1 408604088 DIBVCPPZNBKFMB-UHFFFAOYSA-N 438.615 5.723 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)c(C)c2)c1 408698025 LDMMMLRIMGNPSX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Br)cc2)cc1 408699877 WRGCBGHKWQCUKQ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 408774697 CQZDOVKNSIBPNK-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409100713 WECOZJZMIRGIBJ-REHUZNOOSA-N 444.497 5.879 0 40 IKAB O=C(CSc1cccc2ccccc12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409177777 CYPFAUMKEQSYBD-UHFFFAOYSA-N 427.613 7.038 0 40 IKAB Clc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409177890 CSSDAFJVCIHRKO-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccn3)CC2)C1 643573993 VVMJEZWSGRGCLZ-UHFFFAOYSA-N 449.639 5.067 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)N1 820851 VBNHDUBGEKCAIG-OAQYLSRUSA-N 435.568 5.254 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(C)cc3C)cc2c1 884954 FSGIBVNHTAFTDF-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3cccs3)c(=O)[nH]c2c1 1366697 XYQRXSMEEIUXJF-UHFFFAOYSA-N 438.936 5.094 0 40 IKAB CCOc1ccc(-c2cc(-c3ccc(OCC)cc3)cc(-c3ccc(OCC)cc3)c2)cc1 1599718 VYPBRCXJFCHFBE-UHFFFAOYSA-N 438.567 7.884 0 40 IKAB Cc1nn(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)c(C)c1Sc1ccccc1 1802788 AOGVZOHFEMFHEM-UHFFFAOYSA-N 446.959 6.224 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@H]1c1cccs1 2257661 RHRLVSWJRHZUNP-SFTDATJTSA-N 448.548 5.761 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nnc(SCc2ccc(F)cc2)s1 2621995 CEBVTUNWSWIJSL-UHFFFAOYSA-N 442.566 5.274 0 40 IKAB O=C(COC(=O)c1nc(Cl)ccc1Cl)Nc1ccccc1Sc1ccccc1 2626975 TVZLKCFVGCMFDW-UHFFFAOYSA-N 433.316 5.335 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1nc(Cl)ccc1Cl 2646497 LYEKRJJKRCVJLA-UHFFFAOYSA-N 426.328 6.431 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c3ccccc3n2)cc1 2740793 LOFUMKWCBUOIFO-UHFFFAOYSA-N 441.556 5.502 0 40 IKAB CCOc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(OCC)cc3)cc2Cl)cc1 3210988 IVIHRCUQKACOBQ-UHFFFAOYSA-N 443.326 6.253 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ncnc3sc(C)c(C)c23)sc(C)c1CC 3260245 IDNODWXVLMVUMC-UHFFFAOYSA-N 449.623 5.148 0 40 IKAB Cc1sc2nc(CSCC(=O)c3cc(C)n(CCC(C)C)c3C)[nH]c(=O)c2c1C 3382068 XDFBCANNCXRCNY-UHFFFAOYSA-N 431.627 5.182 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1F 3407630 LRIGFAQKUGVDPU-CQSZACIVSA-N 444.963 5.972 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1C 3431494 DIKGFFCTPJKJLX-UHFFFAOYSA-N 447.991 6.488 0 40 IKAB Cc1cc(OC(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc(=O)o1 4105231 NHJWNIOPWXFWJV-JXMROGBWSA-N 430.378 5.165 0 40 IKAB CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccccc1)c1ccccc12 4149912 URRVZXFEHWTPPL-UHFFFAOYSA-N 437.517 5.652 0 40 IKAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 6088420 PBFISBRKVJRJOS-AWEZNQCLSA-N 449.359 5.285 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 6157312 AXIWNGZSMHBGMT-BJMVGYQFSA-N 449.776 5.753 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1 6190766 CURHFDHIDZYROL-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(Cl)c1N1CCCCC1 6547967 SKKOTEVSKXGXTK-UHFFFAOYSA-N 426.988 6.396 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 7059479 JYHXHZALXFOZMW-JTHBVZDNSA-N 435.321 5.700 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)c(OC)c2)ccc1OCc1cccs1 8254742 MUQYICGROXHVON-UHFFFAOYSA-N 427.566 5.075 0 40 IKAB Nc1c(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)sc2nc3c(cc12)CCCCC3 8416473 XERJISWYJSOLJK-UHFFFAOYSA-N 440.783 6.360 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 8432038 DPKVWQNRWOXNEU-UHFFFAOYSA-N 446.616 6.168 0 40 IKAB biogenic CC(C)c1ccc(C2=N/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 8443258 RSZJZMZNJSABBB-NDENLUEZSA-N 426.299 6.721 0 40 IKAB COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c1 8445484 AIFCCQPRNZOKFD-JOCHJYFZSA-N 447.383 7.117 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 8755864 AYNNXLKPFOGXGC-LJQANCHMSA-N 445.950 5.598 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)c(C)c1 8757160 YOBPWLDWOJWHGY-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)c1 8758159 AANZEFDZMZPASQ-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810919 GZSLLFQEMRXNKG-UHFFFAOYSA-N 444.503 5.143 0 40 IKAB COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 8996176 JSJMSYWLHCZLEO-UHFFFAOYSA-N 434.423 5.079 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 9072272 FWOJDRDLPOQCEM-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 9203014 QWNKXHMLMPHENI-QHCPKHFHSA-N 442.515 5.437 0 40 IKAB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1cccc(C)c1 9305027 PJTRRHBSIWNVLV-UHFFFAOYSA-N 440.657 5.860 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)[C@@H]1COc2ccccc2O1 9391427 IJFRYYBPFRAOJU-SFHVURJKSA-N 448.569 5.682 0 40 IKAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12 9413960 OMTVAEQJCXETTO-LUAWRHEFSA-N 444.418 5.205 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(F)cc1F 9639490 NYHKVBSCXLGUDF-LBPRGKRZSA-N 439.491 5.159 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 9715933 DVYRTKYBNXTDDY-KGENOOAVSA-N 434.854 5.813 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 12344168 HFGIGULPFCGIMM-HXUWFJFHSA-N 430.291 5.161 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 12461754 FDHDQOMUDWIMJB-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2C2CCCCC2)c(OC)c1 12552993 WGXREDLWSGUEIA-UHFFFAOYSA-N 425.554 5.290 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(Cc3ccccc3)C(C)C)nc3ccccc32)c1 12622530 QPARMPLJQRDBGR-UHFFFAOYSA-N 429.589 5.863 0 40 IKAB O=C(Nc1ccccc1I)[C@@H](Sc1ccccc1)c1ccccc1 12766963 NCWVXXNZDUJUMH-IBGZPJMESA-N 445.325 5.763 0 40 IKAB Cc1ccnc2nc(C(=O)N(c3nc4ccccc4s3)c3ccccc3C(C)C)nn12 12773965 NHZJAIIEWAGFBU-UHFFFAOYSA-N 428.521 5.144 0 40 IKAB Cc1ccc(C)c(NC(=O)Cc2nc(CSc3nc(C)nc4ccccc34)cs2)c1 13014233 PPHOLGQYJJKKBV-UHFFFAOYSA-N 434.590 5.485 0 40 IKAB C[C@H](NC(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1cccc(Cl)c1 13113362 FWFHHDUPYRJCQW-NSHDSACASA-N 425.863 5.272 0 40 IKAB C[C@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nc2ccccc2c(=O)[nH]1 13128710 DIWOUGLOSQAURD-INIZCTEOSA-N 431.565 5.405 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13129336 AQNCLFSYPLWCMH-HHHXNRCGSA-N 433.507 5.984 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1CCc1ccccc1 13688321 HPRZWHIXJORLEM-UHFFFAOYSA-N 444.427 6.442 0 40 IKAB CC(C)CCn1c(S[C@@H](C)C(N)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc12 14068951 JHPKXMVKSXYHLK-KRWDZBQOSA-N 445.592 5.172 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc(Cl)cc1Cl 16384909 RVZVBKZUGFAAIB-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 16610882 JHQXSZHMEHCGAI-GOSISDBHSA-N 428.532 7.048 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1cccc2c(Cl)cccc12 17097807 KSTKNQGEBWUKME-UHFFFAOYSA-N 432.310 6.942 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692899 HEUZKHDYZWUHHF-RUZDIDTESA-N 443.934 5.088 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 19700252 GDKQECRNJNALCJ-UHFFFAOYSA-N 433.621 5.161 0 40 IKAB CCc1cccc(C)c1NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 20063329 SQERMUNTRAYUGY-UHFFFAOYSA-N 440.952 5.025 0 40 IKAB Cc1ccc(CNC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20367303 VRFJOLCHYSXKPZ-NRFANRHFSA-N 432.911 5.287 0 40 IKAB Brc1ccc(Oc2ncc(CN3CCN(c4ccccc4)CC3)s2)cc1 20405835 PLHQKCXFAHOHFS-UHFFFAOYSA-N 430.371 5.020 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20456335 AXCRCHORRMSBKB-XDHOZWIPSA-N 439.599 7.165 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 20610270 CZYDKTJXTVCEFR-UHFFFAOYSA-N 438.487 5.233 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)c(Cl)c1 21123859 IFGMZNFMEKTKJE-UHFFFAOYSA-N 448.394 5.249 0 40 IKAB O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)[C@@H](C1=CCCC=C1)c1ccccc1 21486795 KOTJGWZWXQEUDJ-IFMALSPDSA-N 449.809 5.649 0 40 IKAB CCOc1cc(CNCCN(CC)CC)ccc1OCc1ccc(Cl)cc1Cl 22075393 HKRJXCVWVPQNLD-UHFFFAOYSA-N 425.400 5.403 0 40 IKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1F 22110055 LNGYYLLJKICRSX-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 22111515 UNFVLKJMSPNKQG-UHFFFAOYSA-N 430.892 5.412 0 40 IKAB CCOc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408705 NPSFPWWRHFBOPV-NDEPHWFRSA-N 427.568 5.403 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 22527195 XHGQTYJKBARXTN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(N)c2c1C 24773979 XGHLETALZMENPQ-SECBINFHSA-N 427.382 5.316 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(-c4cc(F)c(F)c(F)c4)noc3c2)cc1OC 32073647 TUHCODYLAXDIMW-UHFFFAOYSA-N 429.350 5.149 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 32622404 SYPZISQAQHKJLN-HXUWFJFHSA-N 430.335 5.215 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1ccccc1)N1CCCC1 32983805 NQLUWRSAOAOTAO-LJQANCHMSA-N 427.907 5.009 0 40 IKAB O=C(Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCC1 33025866 YRMOXTGQCNPYCC-UHFFFAOYSA-N 427.957 5.159 0 40 IKAB C[C@]1(O)c2ccccc2[C@@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 35073628 FDVCVRVOUODMNO-ZAKLOLAYSA-N 448.562 5.181 0 40 IKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 35362042 ZFQOPFFVZAMZSD-LLVKDONJSA-N 437.417 6.848 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H]2CCCC[C@@H]21 36276138 OCBGRIQTTYHAGA-CMQWMLGXSA-N 436.478 5.177 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 39404510 JFKHTAOEQKQUED-SUBFFHDQSA-N 439.005 6.900 0 40 IKAB COc1ccccc1OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 40158964 SOJDOXYXNCNABX-ZADSELPYSA-N 432.476 5.083 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)[C@H]2CC=CCC2)CC1 72345115 CFILZXKUNPQXKT-NRFANRHFSA-N 448.582 5.136 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc(F)c1 79068427 VZUVIOWIFOIDCV-HSZRJFAPSA-N 425.463 5.032 0 40 IKAB O=C(Nc1ccccc1C(=O)OCc1csc(-c2ccc(Cl)cc2)n1)c1ccco1 89813127 PXZBJPDKUVBKNF-UHFFFAOYSA-N 438.892 5.666 0 40 IKAB CC(C)(Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 96118621 VEZOMZNBSOAXHK-KRWDZBQOSA-N 446.378 5.131 0 40 IKAB COc1ccc(C(=O)c2coc3ccc(OCc4cccc(C(F)(F)F)c4)cc23)cc1 96184106 VQMQFWRPJWBUQJ-UHFFFAOYSA-N 426.390 6.270 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102518724 PAASGCQYBMQREW-CWGXUGAXSA-N 437.495 5.108 0 40 IKAB C[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 113958912 FOROABYTDVLMHS-OAQYLSRUSA-N 430.567 5.771 0 40 IKAB COc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2Cl)C1=O 214089618 IEYNQRLYPRZMJG-CXUHLZMHSA-N 438.730 5.348 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OCc2ccccc2Cl)cc1 218991631 RTXMZIZPTJNUGV-HSZRJFAPSA-N 435.951 6.260 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223333414 SSNSSKYCSNTLDS-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223343154 JPYMMQHCZRLZKW-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 223360433 YINKKZSBSNTKEK-FGZHOGPDSA-N 433.558 5.592 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224324296 KDMDLOFIMXAYKV-MOPGFXCFSA-N 444.423 5.645 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1Cl 224476969 SJIMYHCBODODCN-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225460416 KQBQPGMNKCPDPS-GCJKJVERSA-N 447.044 5.544 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225743833 BNRBPOALJPTZCR-GOSISDBHSA-N 431.426 5.069 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(N3CCCC3=O)c2)c1 225786402 NDHKXLGLZBBVRM-UHFFFAOYSA-N 436.895 5.520 0 40 IKAB Cc1cc(Nc2ccccn2)cc([C@H]2CN(Cc3nc4ccccc4n3C(C)C)CCO2)n1 257265758 MADJPVNCYIYNMA-XMMPIXPASA-N 442.567 5.033 0 40 IKAB CCc1nnc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)O)o1 408630908 DRBGFVAPOSZKDP-STZFKDTASA-N 432.501 5.582 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2cccc(C)c2)c1 408698587 OGYAGUWLQKKNHT-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c(F)cccc2Cl)C1=O 408812348 SHTJXXGGZNGKKB-LCOCASIVSA-N 429.968 6.533 0 40 IKAB COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 409380854 JALNCDSAXJLZGC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409382914 XSUGJMFZTYZJOA-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)n1nc(Nc2ccccc2)cc1Nc1ccccc1 575443507 SIQDVCBKLZJIEX-UHFFFAOYSA-N 435.487 6.022 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3ccccn3)Cc3ccccc32)c1 643563010 CCOIFVBVMPXXNN-UHFFFAOYSA-N 429.564 5.313 0 40 IKAB C[C@H](CCC[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)C(=O)O 2060993564 ITZYGDKGRKKBSN-PCGXHZOHSA-N 434.661 5.504 0 40 IKAB O=C(Nc1ccccc1)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 837047 WPTRPRGCLWVQGU-CYBMUJFWSA-N 437.552 5.379 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 1223943 ISVFDIMJDNANEQ-MRXNPFEDSA-N 449.967 5.410 0 40 IKAB Clc1ccccc1-c1nnc(-c2cccc(-c3nnc(-c4ccccc4Cl)o3)n2)o1 1607488 SBEYXBYBLCHSPO-UHFFFAOYSA-N 436.258 5.822 0 40 IKAB C[C@@H](Cc1cccc2ccccc12)C(C)(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 1634145 FVJMYDXBQKSSGZ-NRFANRHFSA-N 438.523 6.236 0 40 IKAB O=C(Nc1ccc(-c2ccccc2)cc1)c1sc(Nc2ccccc2)nc1-c1ccccc1 1746548 GJVYYXKVQZLKGA-UHFFFAOYSA-N 447.563 7.473 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 1798146 XHEYWOJOSDINGJ-UHFFFAOYSA-N 430.617 6.468 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc(Cl)c2)o1 2050909 NNJWWAWBSHAQRE-UHFFFAOYSA-N 430.916 7.129 0 40 IKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2425459 HPQISOJWPPOKMD-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 2617329 UBFUAKSVGIPCOE-UHFFFAOYSA-N 444.918 5.600 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)c3ccccc3n2)cc1 3211197 HASJGXFHYXBTAC-UHFFFAOYSA-N 441.512 5.781 0 40 IKAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl 3300358 MWWNBRBEVOVOGM-UHFFFAOYSA-N 439.739 5.102 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc2ccccc2c1 3306081 WOJXZQBFKKHQJV-UHFFFAOYSA-N 434.483 5.650 0 40 IKAB CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 4074096 XGDVSJLOTVQNKY-UBPWOKNVSA-N 440.712 7.446 0 40 IKAB biogenic Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OC(C)C)c2)c1 4089682 FOQFKGTYUJJQAV-UHFFFAOYSA-N 447.560 5.161 0 40 IKAB COc1cc(Cl)c(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc1OC 8397570 RNVGKDIKYZBZNS-UHFFFAOYSA-N 444.962 7.117 0 40 IKAB CN(C)C[C@@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 8616438 VXCVWSOSZUBRFK-GOSISDBHSA-N 430.162 6.110 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3ccc(-c4ccccc4)o3)cc2s1)c1ccco1 8902774 PJXZIRLJGCUNDN-UHFFFAOYSA-N 429.457 5.654 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4OC)cc3n2)cc1 8920690 VPYYZCCMGOCILA-UHFFFAOYSA-N 434.927 5.677 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 9066247 GSWNPNRRJILESS-GOSISDBHSA-N 434.348 5.732 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)cc1 9288279 SFMZJYQOUBPSJW-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 9507964 PJHDFDZZJSNQSG-HSZRJFAPSA-N 443.576 5.368 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccs4)cc3)sc2c1 9644096 LETLIABXUGPYEX-IBGZPJMESA-N 447.585 5.577 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)cc1Cl 9954715 GCXZAJWAIPXBKU-GOSISDBHSA-N 425.897 5.764 0 40 IKAB CCOc1ccc2[nH]c(SCC(=O)Nc3cc4oc5ccccc5c4cc3OC)nc2c1 10077545 WPANTGKWFLWZQS-UHFFFAOYSA-N 447.516 5.600 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O 11614379 GCACRAZBSNGVLE-QHCPKHFHSA-N 442.515 5.699 0 40 IKAB COc1cc(-c2c(NCCc3ccccc3)oc3cc(C)oc(=O)c23)cc(OC)c1OC 11615607 JPTVOJQUSAPEPQ-UHFFFAOYSA-N 435.476 5.042 0 40 IKAB Cc1cc(C)nc(Oc2cccc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)c2)n1 12090035 XNYOTCAIDBGHQW-HNNXBMFYSA-N 442.313 5.054 0 40 IKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Br)cc3)c3ccccn23)cc1 12342071 JUXRQFJNIUEPSS-UHFFFAOYSA-N 448.320 5.076 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1c[nH]c2ccccc12 12538223 JORSVQNNCMEBAM-UHFFFAOYSA-N 444.947 6.044 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F 12749298 BUCHKUBKDIMNMT-UHFFFAOYSA-N 444.837 5.725 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 12878791 DDOUPMFGYTXPKX-UHFFFAOYSA-N 442.953 5.045 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4nnc(-c5ccco5)s4)cc3)o2)c1 12917971 ZLFFJELBVIFRMA-UHFFFAOYSA-N 429.461 5.076 0 40 IKAB O=C(/C=C/c1cccc(NC(=O)c2ccc(Cl)cc2)c1)c1ccc(O)c(CCCl)c1 12941292 AIHLZGPCPXBLMZ-ONNFQVAWSA-N 440.326 5.975 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)CC(=O)N(c1ccccc1)C1CCCCC1 13075395 GRNHGKKMQPFZJY-UHFFFAOYSA-N 448.394 5.230 0 40 IKAB Clc1cc(CNCc2ccc(-c3nc4ccccc4s3)o2)cc2c1OCCCO2 13113436 QJVYAGGIKGLZKG-UHFFFAOYSA-N 426.925 5.661 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](c2ccccc2)C3)cc1 13575336 KXXSHNBMRIXNIM-QFIPXVFZSA-N 435.523 5.855 0 40 IKAB O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 13634447 RLDWACRDSGTDEF-ZDUSSCGKSA-N 426.954 5.044 0 40 IKAB O=C(OCCOc1c(Cl)cccc1Cl)c1nccnc1-c1nc2ccccc2s1 14200218 UOLPYSJXGGCYEI-UHFFFAOYSA-N 446.315 5.296 0 40 IKAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 14269836 QIOPKNKGESYUIC-UHFFFAOYSA-N 440.952 5.577 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@H]1c1ccccc1 14608070 KEMBUMVYNWSFBD-QFIPXVFZSA-N 429.549 5.003 0 40 IKAB O=C1C[C@H](c2ccccc2C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082147 QNIINWFLCYQQNH-CYBMUJFWSA-N 435.398 5.745 0 40 IKAB CC(C)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 15880697 UKTJHJZAKYTHMP-UHFFFAOYSA-N 428.945 5.745 0 40 IKAB Fc1cccc(F)c1CSc1nnc(Cc2cccs2)n1-c1ccc(Cl)cc1 16789603 CHXVUFAVBNZLEJ-UHFFFAOYSA-N 433.936 6.144 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1 17083428 CIHLAYABAKJJAQ-GDLZYMKVSA-N 433.507 5.361 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 17095173 QHGMWTXYEUUCGX-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 17095267 GBHBISOYHKXQGG-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17096587 ZOSOQTZEQLWQCM-UHFFFAOYSA-N 429.545 6.021 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 17099279 RTXBBGIMLATZCO-INIZCTEOSA-N 434.923 6.679 0 40 IKAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 17099377 SVGPPYZLLLMSCV-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB COc1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)ccc1O 19561505 JLRZKFNKGWEFAF-FQEVSTJZSA-N 438.524 5.190 0 40 IKAB Cc1sc(NC(=O)c2sc3cc(Br)ccc3c2Cl)c(C(N)=O)c1C 19639225 YQBQGHBOTQKFHN-UHFFFAOYSA-N 443.775 5.347 0 40 IKAB CC1(C)C=C(CC(=O)N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)CC(C)(C)N1 19690243 XBKNKPHEHJBCBK-HSZRJFAPSA-N 449.614 5.385 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 19926655 HSXFRLNMCBMVDK-QFIPXVFZSA-N 445.544 5.520 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3cc(C)ccc3C(C)C)sc2c1 20411548 SMLFGDGXYPCTLZ-UHFFFAOYSA-N 440.565 5.703 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 20492650 VRAKLYCIFVLGJA-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 22074333 ITEIQSKVILGYMA-UHFFFAOYSA-N 433.173 5.843 0 40 IKAB COc1ccc(-n2c(SCc3nc(C(C)C)no3)nnc2-c2ccccc2)cc1Cl 25044344 CEGQSZCAMYYVLP-UHFFFAOYSA-N 441.944 5.395 0 40 IKAB COc1cccc([C@@H]2CN[C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC 25480341 YUWKNXAQUIIHLZ-RDPSFJRHSA-N 430.573 5.732 0 40 IKAB CCCC(=O)c1c(-c2ccccc2)c2c3n(c(COc4ccc(Cl)cc4)nn13)CCCC2 27526410 JIQSBILIGQJCBS-UHFFFAOYSA-N 447.966 6.354 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1ccccc1CSc1nc2ccccc2[nH]1 32689206 SONBOSPKDCXJOU-UHFFFAOYSA-N 448.529 5.324 0 40 IKAB COc1ccc(OC)c(NC(=O)COc2cc(-c3ccccc3)nc3ccc(F)cc23)c1 32985813 OGLGIQBEJUMXRJ-UHFFFAOYSA-N 432.451 5.076 0 40 IKAB Cc1nc(-c2ccccc2)sc1-c1cc(O)nc(SCC(=O)Nc2ccccc2)n1 33170075 CQDIUHALRIDMNM-UHFFFAOYSA-N 434.546 5.012 0 40 IKAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 34703844 XBARKHWCGDFURB-UHFFFAOYSA-N 437.977 5.672 0 40 IKAB CCCn1ncc2c(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)cc(C3CC3)nc21 36616965 TZFVKWHVFBYXGC-UHFFFAOYSA-N 444.510 5.580 0 40 IKAB O=C(C1CCN(Cc2ccc(Cl)cc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 38850889 PEJSKCFAXWXZSO-UHFFFAOYSA-N 445.434 5.687 0 40 IKAB CC[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 40032364 KQRYBZFMNCINEM-SFHVURJKSA-N 431.305 5.443 0 40 IKAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)C1 40149318 DIMMTJPZPIAQTM-ZHALLVOQSA-N 433.625 5.084 0 40 IKAB COc1ccccc1-c1csc(-c2nnn(-c3ccc(Oc4ccccc4)cc3)c2N)n1 49001843 PBZFRBAQBAHOSA-UHFFFAOYSA-N 441.516 5.441 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@H]3C2=O)cc1 59433367 OQPPFTCYHJDUAM-PAHSPFOQSA-N 437.539 5.436 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)c1 67258942 VYMHQRKSSJXDHJ-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB CCc1ccc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228787 DATQHEDSUALXBT-UHFFFAOYSA-N 434.565 5.296 0 40 IKAB COc1ccc2oc(-c3cccc(NC(=O)COc4cc(C)ccc4C(C)C)c3C)nc2c1 72260292 YALNAWCKHRBTGF-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 72302909 YEEZVDGHAOCNSS-XMMPIXPASA-N 438.930 5.491 0 40 IKAB CC(C)n1c([C@@H]2CCCN2C(=O)CCCOc2ccccc2Cl)nc2ccccc21 72306558 LAAGKNJPFYNSSI-NRFANRHFSA-N 425.960 5.793 0 40 IKAB Cc1c(Br)c(N)c(Br)c2nc(Cc3ccc(Cl)cc3)oc12 73639366 RLLHTHYSNNFQPD-UHFFFAOYSA-N 430.527 5.488 0 40 IKAB COc1ccc(C2(C(=O)N[C@H]3CCCc4c3[nH]c3c(Cl)cccc43)CCOCC2)cc1 96114672 IMXUHUCCCXSVBG-NRFANRHFSA-N 438.955 5.072 0 40 IKAB biogenic C[C@@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)[C@@H]1C[C@H]2CC[C@H]1C2 102137392 MHVWLMHRSSAGAX-ZHPDPMBESA-N 441.163 5.512 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222856142 CTZCWUVLHPWHMF-IBGZPJMESA-N 443.031 5.728 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 223090982 WPSUFWLJLAFEGF-NRFANRHFSA-N 438.612 5.005 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223142261 XDSBQHZPMDMXAA-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223441332 DIOVLURMOAEBIS-DEOSSOPVSA-N 440.603 5.604 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 223457036 PBPKKHBZERIYGH-DNQXCXABSA-N 431.609 5.183 0 40 IKAB CC(C)Sc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 223742508 LBYATECXSVXJDT-UHFFFAOYSA-N 431.608 5.462 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)c3cc(Cl)ccc3OCc3ccccc3)s2)cc1 223758027 WSXFDEQFJQHKKE-UHFFFAOYSA-N 435.936 5.998 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)cc1 223959601 SQVBBLCCEXDMKF-XMMPIXPASA-N 436.577 5.231 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cccc2ccccc12 224306282 OLROYNSGLQHTLR-UHFFFAOYSA-N 441.483 5.086 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 224576409 HMGRDHNVIMXSKN-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc2ccccc2c1 224643879 KRDWJFQLDIPGRN-UHFFFAOYSA-N 439.511 6.272 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225034170 GZGBMLXMQZQAHN-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225164849 VDCQSMQJBZJTBH-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB Cc1cc(NCCNC(=S)Nc2c(C)cc(Br)cc2C)c2ccccc2n1 225223588 VMUMIBBRVHUVKW-UHFFFAOYSA-N 443.414 5.321 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225226501 PGDYSRYSTSBZCW-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225551272 UDXAPEBDVMMWIP-LJQANCHMSA-N 429.004 5.338 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 225603180 WGMARQMKDFRDSE-CVDCTZTESA-N 445.003 5.221 0 40 IKAB COc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C 225750379 QMUWXAMFIHISRL-UHFFFAOYSA-N 425.912 6.029 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccc(Br)cc3)nc2c1 226282821 XONJWCURHFBRPS-UHFFFAOYSA-N 427.220 5.481 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccncc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242722986 YAVJNCRQEPHRIC-CHLJYJIOSA-N 439.684 6.175 0 40 IKAB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OC 408556339 JRENHWUDUWFYBX-SFHVURJKSA-N 442.762 5.288 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971196 DFSRMARSMGLOSV-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB O=C(Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1)c1ccccc1 408991067 MOBMMUOHGMJRQC-SIUJEHFQSA-N 439.511 5.901 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)ccc1OCC(C)C 409058656 UOWMIKTZZXYXDD-NDENLUEZSA-N 431.941 6.014 0 40 IKAB CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(F)c3)c(Br)c2)C1=O 409105687 LQLOGTLSZNXIMS-LICLKQGHSA-N 436.302 5.223 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409172565 KUSPNTSNQJCPOR-INIZCTEOSA-N 444.553 5.054 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1-c1ccccc1 409184649 YMVZLWJDWWSKIY-AREMUKBSSA-N 426.899 6.788 0 40 IKAB O=C(Nc1ccc(Br)cc1F)/C(=C/c1ccccc1Cl)c1ccccc1 409265236 TXANRAJVQRBGOM-SFQUDFHCSA-N 430.704 6.421 0 40 IKAB Cc1sc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc1-c1ccccc1 409338199 FPVFHRPELRMUHC-UHFFFAOYSA-N 441.969 5.288 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409344608 HOZNBJPMOIKDRP-HYARGMPZSA-N 430.529 5.638 0 40 IKAB COC(=O)c1c(C)cc(C)c(-c2ccc(-c3c(C)cc(C)c(C(=O)OC)c3C)cc2)c1C 1772490911 IANUDESWVWHOND-UHFFFAOYSA-N 430.544 6.444 0 40 IKAB Clc1cc2c(c(CSc3nnc(-c4ccco4)n3-c3ccccc3)c1)OCOC2 643546 IDTXLJZVIAKVEJ-UHFFFAOYSA-N 425.897 5.340 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 673988 AAQBEMQPWKWIDS-DOMZBBRYSA-N 426.851 5.511 0 40 IKAB COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccc(C)c3)n2)c1 881135 APVCJCSTXXFDIB-UHFFFAOYSA-N 434.517 5.576 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)NCCc3ccccc3)c(=O)[nH]c12 884531 FXDPMYPWIYYQDI-UHFFFAOYSA-N 447.629 5.017 0 40 IKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c2c1=O)CC(C)(C)OC3 1296865 NSEQLWZPYAVDSI-UHFFFAOYSA-N 441.405 5.445 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccc(C)cc3)cc2c1 1360971 OXFGPWDQCZIBPA-UHFFFAOYSA-N 447.560 5.531 0 40 IKAB Cc1nc2cc(F)ccc2n1C1CCN(CC(=O)N(c2ccccc2)c2ccccc2)CC1 1380388 CWEJFRXFSPLHNR-UHFFFAOYSA-N 442.538 5.486 0 40 IKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1 1447885 UZPQDOVVYSEHTI-UHFFFAOYSA-N 436.847 5.604 0 40 IKAB biogenic O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccccc1Br 1783082 PWOLSLXKFDIFMX-UHFFFAOYSA-N 446.131 6.122 0 40 IKAB COc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 1862148 HOSNEHWJQPZXAN-HHHXNRCGSA-N 445.515 5.198 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2265911 LHILUTCDSLFCOZ-SDNWHVSQSA-N 430.554 5.923 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 2449390 UBEFNHYLIQDMSF-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655458 NFJXFUHQQLOTRQ-OAHLLOKOSA-N 433.435 5.218 0 40 IKAB C/C=C\[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 3925481 RTCKAOKDXNYXEH-FWSJOHTJSA-N 431.620 5.959 0 40 IKAB in-man CCC(=O)Oc1cccc2ccc(/C=C/c3cc4c(cc3Br)OCO4)nc12 8397693 BZZMPTITEXETGU-VQHVLOKHSA-N 426.266 5.212 0 40 IKAB COc1cc2c(cc1NP(=O)(Oc1ccccc1)Oc1ccccc1)oc1ccccc12 8434780 OLHHMHQZXYPWFO-UHFFFAOYSA-N 445.411 7.273 0 40 IKAB CC(C)c1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8828300 XBQWMTRCXBEZCQ-NRFANRHFSA-N 427.523 5.868 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8903019 RIOKIGMJPIVXKV-UHFFFAOYSA-N 428.532 6.905 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(O)C[C@H](c3ccco3)CC2=N1 9088757 LPJQVZLAGODLRX-CMJOXMDJSA-N 431.517 5.577 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 9308962 UYARSSLWSUMRNX-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@H](C)c2ccccc2)cc1 9355430 BIOUJXNEKJAQPZ-IIMAJNMQSA-N 442.562 7.450 0 40 IKAB CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(OC)cc1OC 9375618 VBARKUHSBMWAHE-QHCPKHFHSA-N 435.501 6.641 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc(F)c(F)c1 9518376 VYOFNNJQRKHXQY-UHFFFAOYSA-N 444.796 6.008 0 40 IKAB Fc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675978 BXNBZJGAUVGKPE-UHFFFAOYSA-N 431.854 5.804 0 40 IKAB S=C(NCCNc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccccc1 9730809 GDHSKECXQXFJPH-UHFFFAOYSA-N 443.614 6.352 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c1 9752457 NZOSRHKOVKFZHK-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB Cc1cc(C)cc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 9892739 FRNGQULQXBHNJG-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB Cc1ccc(-c2nn3cnnc3s2)cc1NC(=O)c1sc2ccccc2c1Cl 10010682 ZEUWQMDNCVMSOU-UHFFFAOYSA-N 425.926 5.282 0 40 IKAB O=C(COC(=O)c1ccc(-c2ccc(O)cc2)cc1)Nc1ccccc1SC(F)F 11461224 QQQBKXJEMGIWNO-UHFFFAOYSA-N 429.444 5.169 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc2c1-c1ccccc1 11867595 RYLCPNQZDISKFK-UHFFFAOYSA-N 441.483 5.583 0 40 IKAB O=C1CCCCC[C@@H]1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 12522456 TXIJHAQEHYHPIV-SFHVURJKSA-N 443.370 5.086 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 12609568 JQNKGAKROSIYEG-MRXNPFEDSA-N 449.967 5.410 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2Cc2ccccc2)c(C)n1C1CC1 12678803 ODPYZZVXJSASDD-UHFFFAOYSA-N 432.549 5.315 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1sc(COc2ccc(F)cc2)nc1C 12881500 ZSVOJSXCOWOHEH-UHFFFAOYSA-N 428.529 5.728 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C 12931891 SITUAENKSZHBQG-SELVFMLMSA-N 438.641 5.087 0 40 IKAB COC(=O)c1c(COC(=O)c2ccc(Cl)nc2)nc2ccccc2c1-c1ccccc1 12993756 KXGCYOQTOCYTCF-UHFFFAOYSA-N 432.863 5.094 0 40 IKAB Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S 13071816 AWGRFAHOYQYNSJ-RDJZCZTQSA-N 445.683 5.465 0 40 IKAB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccc(N(C)C)cc1 13098460 DGQLHCVQSJKUMT-HNNXBMFYSA-N 434.590 5.544 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 14778942 LZNLEWQQFVQDCM-UHFFFAOYSA-N 443.503 6.329 0 40 IKAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 15881847 UMCHIKYBFDECEE-UHFFFAOYSA-N 442.949 5.029 0 40 IKAB COc1cc(CNCc2ccccn2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195655 HRWBWVNBEYMJDP-UHFFFAOYSA-N 437.754 5.919 0 40 IKAB CC[C@@H](C)NCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16610304 CYZIRFUIKFZYNN-GFCCVEGCSA-N 447.200 6.232 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 18328005 USWNJGPVKZUMPJ-GFCCVEGCSA-N 436.518 5.072 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cc(OC)cc(OC)c2)n1 19525603 VCITUVJRHXPBAT-XMMPIXPASA-N 432.568 5.236 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20046627 QHQWUHNBHWETBU-XMMPIXPASA-N 430.548 5.072 0 40 IKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc(C(F)(F)F)ccc4c32)cc1 20183432 VGNGPQCIOYQUCK-UHFFFAOYSA-N 445.488 7.557 0 40 IKAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 20412487 FXNFHFYCBAWHGJ-UHFFFAOYSA-N 442.003 5.194 0 40 IKAB O=C(Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1)c1cnccn1 20859323 NILCGPVLARMARV-UHFFFAOYSA-N 427.316 5.826 0 40 IKAB CC(C)(C)NC(=O)CC1(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1 24441311 SDGBPLVTQRDYJI-JOCHJYFZSA-N 445.607 5.281 0 40 IKAB COc1cc(C2SCCS2)ccc1OCc1ccc(C(=O)Nc2ccccc2)cc1 25816806 FLRYXMSUJRSKMG-UHFFFAOYSA-N 437.586 6.005 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(-c5ccc(Cl)cc5)on4)cc3)sc2c1 27579820 RSKQMGULJUALRH-UHFFFAOYSA-N 445.931 6.832 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cccc(OCC(C)C)c3)cs2)cc1 32672144 QRMHZXFEUDUHIR-UHFFFAOYSA-N 438.549 5.025 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(-c2ccco2)no1 32809263 FLAKQSANEWGMGN-OAHLLOKOSA-N 427.489 5.702 0 40 IKAB COc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCCCC3)cc2)cc1Cl 33170763 FDIIMMZRZHUWRF-UHFFFAOYSA-N 438.915 5.174 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1OC 34690383 IORJHWVJXFJEFO-ZMTLZGASSA-N 446.862 5.172 0 40 IKAB Cn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)nnc1-c1ccco1 36393127 PXCAMGCEVPBLSF-UHFFFAOYSA-N 425.926 5.551 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cccc(Cl)c1 39767147 ASVUBBLNWJOCFN-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040832 RWRQZHGKBIKOOR-KRWDZBQOSA-N 438.911 5.525 0 40 IKAB CCOc1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OCC 44885648 VBVCOHVFPVQVEZ-UHFFFAOYSA-N 444.575 5.367 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)ccc1Cl 44899960 ZUZDHPMUISDZFE-UHFFFAOYSA-N 434.923 5.332 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44916359 WGRBZNSFEIIPEG-JOCHJYFZSA-N 429.004 5.088 0 40 IKAB O=C(O[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1 48326335 JCPKADNJWUXCOU-MHZLTWQESA-N 441.571 5.385 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C(F)(F)F)cc3)cc12 57720724 MMSVMEMBDGFBPS-UHFFFAOYSA-N 432.833 5.307 0 40 IKAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1ccccc1Sc1ccccc1 58450197 OOGYXBUYDJFBBF-UHFFFAOYSA-N 437.996 5.252 0 40 IKAB C[C@@H](Nc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 60100691 NAFGYSUFEFKYJK-MJGOQNOKSA-N 435.959 5.158 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N1CCC(Nc2ccc(F)cc2)CC1 65575487 ZPQIBIJXRMUHLP-UHFFFAOYSA-N 431.870 5.298 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2-c2ccccc2)cc1 67236887 AVJZXHFUFQYADZ-UHFFFAOYSA-N 446.576 5.096 0 40 IKAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(F)cc4Cl)ccn3n2)cc1Cl 72329626 YRCFRQYHZSDTIK-UHFFFAOYSA-N 432.282 5.056 0 40 IKAB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 89469816 ASXHNJORRXBMER-HNNXBMFYSA-N 431.311 5.104 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(F)c(Cl)c1F 95986362 GEUSWGAMYZIZIN-UHFFFAOYSA-N 426.250 5.374 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(C)cc2C)cc1 142780917 OCWQEKSJHDPTSW-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1ccc(C(=O)OCC)cc1 169811487 QPRJKHORUOULRT-UHFFFAOYSA-N 439.228 5.919 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 222542041 XDZJJVXMTBCGPR-HSZRJFAPSA-N 445.003 5.174 0 40 IKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 223109936 IRFFGNOARYZUJX-VWLOTQADSA-N 433.979 6.679 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223114902 YZGGWNPABONPDG-RPBOFIJWSA-N 447.604 6.046 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223795971 YTYVLKLPNXXPPQ-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COc1ccccc1C 224105389 SGSIKTWHEKAZBV-UHFFFAOYSA-N 444.575 5.162 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224139339 OGWHXTPVLFUKMW-AREMUKBSSA-N 448.651 5.783 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224243623 XSLMUQSVFBAYJD-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224315012 RKENHPSTBNWKDL-DQEYMECFSA-N 443.547 6.275 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 224365889 KTMRSIISDALRRX-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB Cc1ccccc1N(CCCC(=O)Nc1ccc2c(c1)oc1ccccc12)S(C)(=O)=O 224642040 WFENEGYUXXNVRH-UHFFFAOYSA-N 436.533 5.079 0 40 IKAB CCOc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1CSc1ccccc1 224655394 UKXPNQFVWZGYSH-UHFFFAOYSA-N 446.616 5.336 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 224743093 WUPKPBCBMCQVAZ-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225048096 SXPQWRJFTABRMF-YADHBBJMSA-N 430.592 5.413 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)cc1C 225148161 VKRRDUGRHUAJOI-LEWJYISDSA-N 436.606 5.286 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225208091 VCPHSKRAHHPIPB-CABCVRRESA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 225579018 HAECEYDVBLMFBF-CVDCTZTESA-N 444.616 5.089 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225664453 JRHCBICLQWPNQT-NVQXNPDNSA-N 430.633 5.646 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 245377418 LCACYSALAAALAR-BSDZUQITSA-N 434.536 5.015 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@]2(C)C1 253617576 WPHICUIXBCASRI-OEVFGIETSA-N 434.617 5.034 0 40 IKAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)N(C)C)CC1 257280972 ONDLPGHZWVYMIF-UHFFFAOYSA-N 438.587 5.168 0 40 IKAB CC(C)n1cc(CN2CCO[C@H](c3c(C(N)=O)sc4ccccc34)C2)c2ccccc21 257297228 RGKSPXQHFLTNSB-NRFANRHFSA-N 433.577 5.109 0 40 IKAB Cc1ccc(C(C)(C)C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cc1 257304124 SKECWTDJKPFESE-IYARVYRRSA-N 449.620 5.071 0 40 IKAB Cc1cccc(-c2ccc(CC3(C(=O)NC(C)C)CCN(C(=O)C(C)(C)C)CC3)cc2)c1 257310929 UHFPRQRSKHLQEC-UHFFFAOYSA-N 434.624 5.384 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(Cl)c2)cc1OC 408559212 YCMXSCBZCUCZLY-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)c1cc2ccccc2o1 408630210 PMIZWQFNXQHRSX-UHFFFAOYSA-N 426.881 5.139 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 408644561 GUXQGZGBNYPQNP-VIFPVBQESA-N 437.106 5.249 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(Cl)cc2)cc1 408697831 JZXZPTLKBJZGRK-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccc3ccccc3c2)cc1 408726075 RWARMVDRPOQCCE-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccccc1Cl 408816096 KKHPCEQXCRJTCU-YVLHZVERSA-N 438.332 5.637 0 40 IKAB Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1Cl 408833567 SZHLGZRCFWHMPA-UHFFFAOYSA-N 439.367 7.345 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 408994205 HGKFFDYBDDXTEX-BNELBPEVSA-N 439.511 5.901 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409097703 NJDJNZTVKCLLIJ-UHFFFAOYSA-N 443.016 5.856 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1F 409114987 JHZOGFFQYLDKLL-LPYMAVHISA-N 436.870 5.151 0 40 IKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1ccc(Cl)cc1 409192317 ARYKIHHJAIXRGH-MLPAPPSSSA-N 445.121 5.702 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)cc1 409328225 QDOKTZNLJCHIGC-WOJGMQOQSA-N 448.466 5.504 0 40 IKAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 409338982 CVAAYYWUHCXRAM-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 409411969 OPWLLFJTXJJVHB-UHFFFAOYSA-N 436.577 5.536 0 40 IKAB COCc1cccc(-c2ccc3c(c2)C2(CCOCC2)CN3C(=O)c2cc(C3CC3)on2)c1 585105684 CHGDRKWFZCKQFE-UHFFFAOYSA-N 444.531 5.074 0 40 IKAB COc1ccccc1CCCC(=O)N1CCCCCCCN(C(C)=O)c2ccccc2C1 643553548 ZODDYSJXHPDBGV-UHFFFAOYSA-N 436.596 5.364 0 40 IKAB CCOC(=O)c1cccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)c1 670417839 RBFUGOAIFLYACW-UHFFFAOYSA-N 429.516 5.132 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(I)c1 725378 GDCVTBJSAYVXFC-UHFFFAOYSA-N 440.240 5.352 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1cccc2ccccc12 892349 OLXNACMUONWBJL-UHFFFAOYSA-N 427.485 5.479 0 40 IKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(Nc5ccccc5)sc4C)ccc32)c1 1354484 JUHZPNLDALJIBW-UHFFFAOYSA-N 425.557 6.373 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@H]2c2ccc(OCC)cc2)cc1 1439880 FFYNZUVUALAQAO-RPBOFIJWSA-N 445.515 5.106 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1Cl 1935410 LQYFHLQCRDOLBI-FMIVXFBMSA-N 446.355 6.551 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1csc(C)c1C 2106077 UTYWZJLKGWIXRN-UHFFFAOYSA-N 435.570 6.676 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)OC3 2183509 OVKOKCDSEVYHND-UHFFFAOYSA-N 442.650 6.279 0 40 IKAB COc1ccc(CCNc2ncnc3c2oc2nc(CC(C)C)c4c(c23)CCC4)cc1OC 2358368 VLIAWLKNJJZQCZ-UHFFFAOYSA-N 446.551 5.130 0 40 IKAB COc1ccccc1NC(=O)c1c(N)n(-c2ccc(C)c(C)c2)c2nc3ccccc3nc12 2374646 PVCMWPDLYNDDBN-UHFFFAOYSA-N 437.503 5.034 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 2405078 HIQXRMYPJQDPOX-UHFFFAOYSA-N 431.319 6.634 0 40 IKAB CC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(Cl)c(Cl)c4)cn13)CCCC2 2413354 MBZJZARCNWMRRR-UHFFFAOYSA-N 437.370 7.229 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1C 2637703 LUESZXZMUDMRBO-UHFFFAOYSA-N 442.544 5.328 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccccc2)cc1C 2656137 BRTZOBJJHFZVBQ-UHFFFAOYSA-N 439.544 5.893 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 2660317 IDUFRRISXBWNQV-UHFFFAOYSA-N 430.577 6.080 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(Oc4ccccc4)c3)cc12 2664627 HSVXYTXUIHORRM-UHFFFAOYSA-N 443.503 6.579 0 40 IKAB Cc1ccc(-c2cc(-c3nnc(SCc4ccc(Cl)cc4)o3)c3ccccc3n2)cc1 3351765 YAEZUBLYPIWZMR-UHFFFAOYSA-N 443.959 7.206 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccc1F 3764834 HZVJVTDUFAGSAO-AREMUKBSSA-N 446.566 6.175 0 40 IKAB CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 4025835 NZDFRHCQINXFLI-SEWQFTPFSA-N 428.613 5.800 0 40 IKAB biogenic Cc1c(C(=O)OCCc2ccccc2)[nH]c2c1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2 4911809 LTSJGUAWIHMBMZ-OAQYLSRUSA-N 429.560 5.933 0 40 IKAB Fc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 5800910 LIXXXCZHBUTYLW-QYQHSDTDSA-N 434.268 6.110 0 40 IKAB CCOC(=O)Nc1nc(-c2ccccc2)c(-c2nccc(OCC(F)(F)F)c2C)s1 8715594 ZHIHJSPVKJTPMJ-UHFFFAOYSA-N 437.443 5.690 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)OCc1cccnc1Sc1ccccc1Cl 8781977 XJAJISRDOHKHON-UHFFFAOYSA-N 439.751 6.942 0 40 IKAB Clc1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)c(Cl)c1 9088368 FFKNYXSUYUQCQE-UHFFFAOYSA-N 440.153 5.373 0 40 IKAB COc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 9129871 KNRQSSDOFABHKV-AREMUKBSSA-N 428.532 5.050 0 40 IKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)nc12 9242105 UFBTXPNNXDFOEQ-UHFFFAOYSA-N 439.540 6.090 0 40 IKAB CC1(C)Cc2cccc(OCC(=O)N3CCc4sccc4[C@H]3c3cccs3)c2O1 9446563 NUOAUXIPCFDJIQ-NRFANRHFSA-N 425.575 5.076 0 40 IKAB Cc1nc(N2CCCC2=O)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 9460304 QGGWXVWWIAAZKQ-UHFFFAOYSA-N 427.913 5.276 0 40 IKAB CCc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1 9663885 DJNOWFYRPCZKMB-UHFFFAOYSA-N 444.915 5.377 0 40 IKAB CCCN(Cc1ccc(C(=O)Nc2ccccc2)cc1)Cc1nnc(-c2cccs2)o1 9739304 JOXWZDUDQVAXAU-UHFFFAOYSA-N 432.549 5.463 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1 9883080 KQYNQYSKNGDKMF-OAQYLSRUSA-N 445.500 5.127 0 40 IKAB C[C@@H](NC(=O)COC(=O)CCSc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 12541453 VNNCNJXCPHAHGO-LRYXAPPNSA-N 436.017 5.087 0 40 IKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1Cl 12569372 GLFJZZLVDNZKNI-JTQLQIEISA-N 442.418 6.089 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 12679597 ZQORVYBWYYFGTB-HNNXBMFYSA-N 447.564 5.272 0 40 IKAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3cc(Cl)ccc3OC)[nH]c2=S)cc1 12787484 ITUZMLGFRVCXPT-SFHVURJKSA-N 430.961 5.073 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CN[C@H](c2ccccc2)c2cccs2)cs1 12971367 FDGLCTITWQMPDH-XMMPIXPASA-N 447.629 6.331 0 40 IKAB C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2ccccc2c1 13109844 LIKCXGPKMLQHMZ-QGZVFWFLSA-N 428.561 5.267 0 40 IKAB C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccc2ccccc12 13126848 VTXCYNJVNQMWTE-QGZVFWFLSA-N 428.561 5.267 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 13164864 CHOQQDKXRNSWMO-DEOSSOPVSA-N 442.588 5.495 0 40 IKAB O=C(/C=C\c1ccccc1)N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 13305799 HBQWZCZPPVPNGN-CXOKCQFOSA-N 439.553 5.898 0 40 IKAB CCN1/C(=C/C=C2/SC(=O)N(c3ccccc3)C2=O)Sc2c1ccc1ccccc21 13452413 JSZSMOVLTGWMPR-SXDNLVMGSA-N 430.554 6.397 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 13839316 HWXZQDFHVOBCBP-OAHLLOKOSA-N 449.348 7.023 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc3ccccc3c2)CC1 14291104 DYPPEQUPIKDYIW-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB CCOc1nc(-c2ccc(OC)c(OC)c2)nc2c1sc(=S)n2-c1ccccc1 15021602 NDGPGVKVSJSAFN-UHFFFAOYSA-N 425.535 5.294 0 40 IKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)c1 15729514 VYTRVOMWVZMOPR-UHFFFAOYSA-N 441.527 6.531 0 40 IKAB biogenic CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 15987402 UMTMHTSTSIDAHK-XMUSRXTASA-N 437.565 5.684 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4)c3)nc2c1 16611120 GRTBWZMXGVYIQM-KRWDZBQOSA-N 443.572 6.444 0 40 IKAB COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc(OC)c1OC 16758706 GLTVCNKJBXASDQ-SBUREZEXSA-N 440.883 5.201 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)c1 17099827 AHZZLFVZELOBFC-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CC(C)CC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17102011 GJGLTUWIFNZZKG-UHFFFAOYSA-N 438.405 6.129 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 19083946 FPCRSUUEJYLAIR-LSTDLKDCSA-N 438.538 5.063 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 19637072 LOXIPFICLOBXFJ-RDJZCZTQSA-N 442.625 5.529 0 40 IKAB COc1ccc(SCc2nc3ccccc3nc2CSc2ccc(OC)cc2)cc1 20031094 SRPLXNCXSJYKQO-UHFFFAOYSA-N 434.586 6.232 0 40 IKAB Cc1ccc(-c2csc(N(C)CCCN3c4ccccc4CCc4ccccc43)n2)cc1 20394031 VYORCEKXEPIAJX-UHFFFAOYSA-N 439.628 6.882 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 20611012 LOHGJRPYDKWPBO-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1C 20993965 ZUJBPUGVMRPIIQ-CYBMUJFWSA-N 447.607 5.148 0 40 IKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 22073941 RJUVNADBUYSSIN-ZFGQVMFLSA-N 444.446 7.267 0 40 IKAB COc1cc(CCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1 24830956 HUJYDLCZCWONDA-IBGZPJMESA-N 446.547 5.108 0 40 IKAB Cc1nc(NC(=O)c2ccccc2COc2ccccc2)sc1-c1nccn1C(F)F 24865461 SNUJBJRZWOFACG-UHFFFAOYSA-N 440.475 5.541 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cccc(NC(=O)c2cccs2)c1 32109304 HDGLZFMFFIXHNQ-UHFFFAOYSA-N 435.332 5.633 0 40 IKAB OCc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 34772914 ZJADGFHDNISVJA-UHFFFAOYSA-N 440.946 5.590 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(-c2ccccc2)cc1 35264077 UHEJPVBYXYRJNJ-UHFFFAOYSA-N 426.903 6.512 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 40159132 JAOJVKSVNWBXAG-MRXNPFEDSA-N 436.512 5.153 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44911888 IYBQSQVRNCGORW-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)cc1 44936329 VMGMNGNKCGZGIA-QFIPXVFZSA-N 435.395 5.482 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 49651004 WXCXFWAZJSWENY-XMMPIXPASA-N 431.561 5.507 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c(OC)c1 57316075 HLCAODHEAKLYHD-UHFFFAOYSA-N 430.504 6.196 0 40 IKAB FC(F)(F)c1cccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)c1 71889958 NQIAGVBZXBTMSN-UHFFFAOYSA-N 438.449 5.929 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 72229915 HMTAWPGVQRRMKW-QHCPKHFHSA-N 438.310 6.587 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cs1 72358147 KOTKCEKWLXOJQL-NRFANRHFSA-N 445.510 5.362 0 40 IKAB Cc1cccc(C2=NN(C(=O)CCC(=O)O)[C@@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 95532178 FATFSUIDQQNTRD-OAQYLSRUSA-N 435.911 5.048 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccc(C)c1 95945888 GFZDUAXEBOYDFK-VWLOTQADSA-N 435.527 5.510 0 40 IKAB COc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 96324255 JVHZKBKKUAAQAZ-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)ccc1Cl 98073000 LPHUATQOKRQNOJ-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB C[C@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 100580494 LDALHFVGDABISL-VHKYSDTDSA-N 443.341 5.032 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3nc4ccccc4s3)c3ccccc3C2=O)cc1C 101271732 CBDVZXRZCVCRAT-XSFVSMFZSA-N 425.513 5.553 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)C(=O)NC1CCCC1 104696677 NXQIJRCLZWAUPF-SCDSTIRESA-N 446.572 5.387 0 40 IKAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@H]1C 107508371 GTPJOUCVMBDGOE-CXHCGLNMSA-N 446.616 5.593 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3[C@H]2c2c(-c3ccccc3)n(C)c3ccccc23)cc1 107795686 DWZZURHVWBQXBC-LJAQVGFWSA-N 428.535 6.904 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@@H]12 118913894 ZVBBVQAJSUFYKD-DPXZGAGYSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3[C@@H]3C[C@]32C1 118936342 WNFPVPRFYINGIO-FEMBOISLSA-N 428.701 7.649 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(F)cc(F)c1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 169527639 QMVJOBQJLOCTQV-JPMIEVGJSA-N 439.461 5.388 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OCCSc2ccccc2)cc1 219265534 ITBWMZHHYZVKND-DEOSSOPVSA-N 447.600 6.198 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222918507 NAOBYUORTZZNMT-DEOSSOPVSA-N 436.596 5.843 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223139344 FSWUIQYREQTBJE-JOCHJYFZSA-N 430.592 5.414 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223396764 DTYOMBMZQJDNGN-QHCPKHFHSA-N 443.031 5.557 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 223627278 SFLQJONAEMTMFB-QFIPXVFZSA-N 428.576 5.070 0 40 IKAB C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223839899 ZSGUWYRTYZOAFX-FIOICXDGSA-N 439.964 5.162 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccccc3C)c2)cc1 224063948 UDOHFYGJLDSMSO-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cccc(Cl)c1 224146328 SFBUSUDCDIQQTH-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1cc(C)cc(C)c1 224190433 CMQKDCUXCAEDTK-UHFFFAOYSA-N 444.358 6.128 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)c1 224232663 QMQMVMAYKAOIRB-UIOOFZCWSA-N 444.648 6.491 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(CN4CCOCC4)cc3)cc2)cc1 224542056 SMCXDFKVVYUWQX-UHFFFAOYSA-N 446.616 5.050 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224792337 IMVHGXUMWTXOBG-LJQANCHMSA-N 426.988 5.139 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 224894405 HMEMWJWJLQEDHT-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB O=C(NCCc1ccccc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949640 PXJKCWLQEMJNFD-UHFFFAOYSA-N 447.332 5.744 0 40 IKAB Cc1ccc2[nH]c(-c3ccc(C(=O)Nc4ccccc4Sc4ccccc4)cc3)nc2c1 225264051 LGOHAQCHKMCGHA-UHFFFAOYSA-N 435.552 6.942 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 225546898 FVTSPCZFBQAJOT-XXBNENTESA-N 445.003 5.058 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCC2)cc1 225742055 LBEZMBKQXFCGDM-UHFFFAOYSA-N 432.649 5.747 0 40 IKAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935736 MPSAKRJQHWRSFN-GFCCVEGCSA-N 443.926 5.014 0 40 IKAB Cc1nccn1Cc1cccc(C(=O)N2CCC[C@H](Cc3cccc4cccnc34)CC2)c1 257278776 ODQLFLLVYPOQBX-QFIPXVFZSA-N 438.575 5.273 0 40 IKAB Cc1nc2ccc(C(=O)N3CCO[C@H](c4cccc(Cc5ccccc5C)n4)C3)cc2s1 257296594 RDMMQIWYURZVHP-DEOSSOPVSA-N 443.572 5.113 0 40 IKAB O=C(c1ccccc1CN1CCCCC1)N1CCC[C@@H]1c1ccnc(-c2ccccc2)n1 257300324 RTVIQVRDUKRGCL-RUZDIDTESA-N 426.564 5.107 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408571228 AKUSYOLKQGYFBZ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 408668221 VUKOSAZWBNULNH-URFUVCHWSA-N 448.349 5.401 0 40 IKAB O=C(NC1CCCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704021 INCSDIHATSDLRV-XMMPIXPASA-N 443.012 5.567 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2ccccc2)cc1 409106439 RUQMIJNTUWNOIX-UHFFFAOYSA-N 431.561 5.813 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3)c3c(CC)cccc23)C1=O 409145544 QGGRBAJVYBUVHS-HMAPJEAMSA-N 436.552 6.228 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409166671 FALCISAFOKUKNM-GRSHGNNSSA-N 444.940 5.050 0 40 IKAB O=C(O)c1cc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)o2)ccc1Cl 409195643 JTIJBNMJGYWDLR-HMMYKYKNSA-N 441.870 6.517 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 409378102 LVBKIYWWVAKOHI-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100286 JRYBAIHCWKNXPX-HHHXNRCGSA-N 432.539 5.345 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2 585261778 JLWXCJSYRVZKFW-NRFANRHFSA-N 446.522 5.412 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C 663643 UPSAGJOQQQFLQU-RQZCQDPDSA-N 435.307 5.277 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 677209 HWEIBQNKLLVIHJ-CQSZACIVSA-N 436.865 5.473 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 990096 VJAXNEIEEZAGNW-MHZLTWQESA-N 447.962 5.645 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2oc(-c3ccncc3)nc2c1 1301988 WRFBUCKFJMJFKL-UHFFFAOYSA-N 448.693 5.868 0 40 IKAB CCCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 1306717 CKVIUCXZPTUPDL-UHFFFAOYSA-N 432.593 5.698 0 40 IKAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)N(c2ccccc2)c2ccccc2)CC1 1380381 GLNRVMDLKIWZPY-UHFFFAOYSA-N 428.511 6.079 0 40 IKAB O=C(Nc1ccccc1SC[C@H]1CSc2nc3ccccc3c(=O)n21)c1ccccc1 1406125 ZTPUEBJUZXYSKB-KRWDZBQOSA-N 445.569 5.088 0 40 IKAB COc1ccc(-c2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1OC 1448041 FGSWYKNXHQPXFP-UHFFFAOYSA-N 436.847 5.350 0 40 IKAB biogenic Cc1ccccc1-n1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCCC3 1818012 VEXZAWWBYPNTIG-UHFFFAOYSA-N 446.597 5.609 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 2179123 KOMCWCJPPGHPCS-NDEPHWFRSA-N 431.543 6.300 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccccc2)n1Cc1ccccc1)CCCCC3 2289345 MAJQHMUJQDCHKO-UHFFFAOYSA-N 432.614 6.068 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccc[nH]1 2624660 QOOJLYCIVGESHC-UHFFFAOYSA-N 429.332 5.544 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1SCc1ccc(F)cc1 2721729 YSEWWPUUSXMJKN-UHFFFAOYSA-N 443.496 5.745 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3cccc(Cl)c3)c2C(=O)OC)cc1 2889673 MTUNFKOHKQAHGL-UHFFFAOYSA-N 429.925 5.896 0 40 IKAB Cc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1Cl 3192238 IQODKRMMQJZANO-UHFFFAOYSA-N 433.769 5.988 0 40 IKAB CC(C)C1=CC2=CC[C@@H]3[C@](C)(C(=O)N4C(=O)c5ccccc5C4=O)CCC[C@]3(C)[C@@H]2CC1 4726884 ZZSCRJSMECRJMK-ATRCONBKSA-N 431.576 5.944 0 40 IKAB COc1cccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)c1OC 4767891 MCLNMBUNDSGBIH-HSZRJFAPSA-N 447.535 5.218 0 40 IKAB COc1cccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1 8385085 IVSVMTRYSPFHOR-QFIPXVFZSA-N 433.533 5.815 0 40 IKAB Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(NCc2ccc(Cl)cc2Cl)n1 8670734 AGAYXIREIJZWSY-MHZLTWQESA-N 440.783 5.665 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8759609 UYDVFCMOTNILOQ-IBGZPJMESA-N 429.495 5.083 0 40 IKAB COc1cccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2Cc2ccco2)c1 9308496 GDSNSHCHTRQHAF-UHFFFAOYSA-N 445.522 6.787 0 40 IKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 9793019 BSJVNAWBNFHXKV-KRWDZBQOSA-N 446.601 5.937 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCN(C(=O)c2cccs2)CC1 9868324 IHIBZLBELKJNNV-UHFFFAOYSA-N 447.585 5.516 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1c(C)noc1C 9913510 KHXLSQUAZJTEGT-UHFFFAOYSA-N 449.532 5.563 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@@H]2CCCO2)cc1 9951147 YXGBDPXJPDYOHD-NRFANRHFSA-N 448.548 5.080 0 40 IKAB COc1cc(C(=O)Oc2ccc(-c3ccc(-c4ccccc4)cc3)nn2)cc(OC)c1OC 10127792 YYTNKRNTCFKGNY-UHFFFAOYSA-N 442.471 5.056 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 10314757 JSXJVTOSMZZUAS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccn23)cc1 12342106 KVJQNUQXUNAYOZ-UHFFFAOYSA-N 447.922 5.365 0 40 IKAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(Cc2ccc(Cl)cc2Cl)c1C 12372596 SOQVQDRJXZJHGR-UHFFFAOYSA-N 427.328 5.014 0 40 IKAB C[C@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1Cl 12854616 JLFTXUJTOSUIMP-ZDUSSCGKSA-N 434.319 5.015 0 40 IKAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1c(Cl)cccc1Cl)C(=O)C(C)(C)O2 12876072 ZLFKSOGKODNKIG-UHFFFAOYSA-N 449.378 5.616 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)OCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1 12950829 FSFAIPSACWNKAC-DTQAZKPQSA-N 446.522 5.292 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@H]1c1nc2ccccc2s1 12994799 GGZLDEHSEYTEIY-YRYLYKBFSA-N 443.366 5.444 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1oc2ccccc2c1CSCc1ccccc1 13145852 PGABKEVUEBHNCX-UHFFFAOYSA-N 440.568 6.320 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13669058 QNKKSEXJGNZLCK-UHFFFAOYSA-N 436.023 6.155 0 40 IKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC(O)(c4ccc(Cl)cc4)CC3)s2)cc1 13691833 AMKUPOBRCHLEQE-UHFFFAOYSA-N 426.969 5.204 0 40 IKAB O=C1[C@H](C[C@@H]2CCC[C@@H](C3(Cl)CCCCC3)C2=O)CCC[C@H]1C1(Cl)CCCCC1 13764932 LIEKHNOVNVFJAU-UWHLTILDSA-N 441.483 7.231 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Cl)o2)cc1 14094266 JYQPECWVLUZBEZ-UHFFFAOYSA-N 430.961 5.275 0 40 IKAB C/C=C/c1ccc(OCC(=O)Nc2ccccc2NC(=O)Nc2ccccc2)c(OC)c1 14240253 DXGMBOQZQXGAQA-YCRREMRBSA-N 431.492 5.390 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 14291383 WYYICMVAVWTYJF-UHFFFAOYSA-N 428.282 5.040 0 40 IKAB COc1cc([C@H]2SC(c3ccccc3)=Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O 15084896 BSGHOHBOPYHINF-HSZRJFAPSA-N 445.519 5.949 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 15319787 HFGYCDBGQAHSPA-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 16216970 HPXJJBYSNCWVKQ-NDEPHWFRSA-N 449.510 5.811 0 40 IKAB O=C(CSCCOCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16400733 PMRBTIGWSUNPDH-UHFFFAOYSA-N 443.417 5.542 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c1 17099261 HXMMUTVUBFAJAX-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccc(F)cc1 17099402 HWLZEZCWUNVMNO-SOFGYWHQSA-N 435.307 5.919 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)nc2c1 17099495 NXRBDGALMJNSPX-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB CC(C)COc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17100995 IXWVOHWQXWTCHO-UHFFFAOYSA-N 436.964 6.904 0 40 IKAB O=C(C1CCCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373089 VWJVOZBQVIAJOF-NRFANRHFSA-N 427.552 5.178 0 40 IKAB CCn1nc(C)c(C(=O)N2CCC[C@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)c1C 19523706 PYJDTSOKTTVBRN-NRFANRHFSA-N 441.579 5.391 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1 19630063 DIUSEJDDQCNLPF-UHFFFAOYSA-N 439.540 5.148 0 40 IKAB COc1cccc(-c2ccc([C@@H]3CN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CCO3)nc2)c1 19693104 XUNFHMRZEFEJAI-DEOSSOPVSA-N 447.922 5.106 0 40 IKAB COc1cccc(-c2ccc([C@H]3CN(C(=O)c4cc5ccc(Cl)cc5[nH]4)CCO3)nc2)c1 19693105 XUNFHMRZEFEJAI-XMMPIXPASA-N 447.922 5.106 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)sc2c1 20412372 CIDDUTSGBLMAAX-UHFFFAOYSA-N 430.844 5.388 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 20528944 XKYJKIOXWFKRIF-UHFFFAOYSA-N 439.943 5.033 0 40 IKAB Cc1ccccc1-c1cc(=O)[nH]c(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)n1 20634932 QFDDMBZTHODUBV-UHFFFAOYSA-N 439.906 5.753 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(Cl)c4)ccc32)cc1 20766038 KXDVCHWEYXFMHL-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ncc(Cl)c(Cl)c1Cl 22192191 SZXDWHWTTMBNSS-UHFFFAOYSA-N 426.712 5.353 0 40 IKAB CN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1)Cc1ccccc1 25393140 GLLHTZZXMONJPB-NDEPHWFRSA-N 433.555 5.650 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)cc1C 32116571 QDMAFABJKJRAPA-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1cc(C)c(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)c(C)c1 33460224 OPUZXZMNBRBMBA-CIAFOILYSA-N 431.492 5.115 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35269902 RSERHGNHJWLPPS-UHFFFAOYSA-N 434.879 5.180 0 40 IKAB Cc1cc(C(=O)Nc2nc(-c3ccccc3)cs2)c2c(C)nn(-c3ccccc3)c2n1 36616324 OCBHAVNAQMWOEI-UHFFFAOYSA-N 425.517 5.413 0 40 IKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccccc3Br)n2)cn1 40288109 GPZRBJCETVPTFZ-UHFFFAOYSA-N 435.281 5.122 0 40 IKAB CCc1ccc(Cn2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)c3cc(CC)ccc32)cc1 57354758 CCMYDXSIMGFJMP-UHFFFAOYSA-N 449.554 6.200 0 40 IKAB Cc1nnc(SCc2c(C(=O)N3CC[C@H]4CCCC[C@H]4C3)oc3ccccc23)s1 58245171 XQEGBCUDCYPUMG-CVEARBPZSA-N 427.595 5.537 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccc(C)cc1 58420668 WJFRNYXMRUBKQC-AREMUKBSSA-N 449.554 5.843 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(F)ccc4Cl)nccn3n2)cc1C 67290009 JNWNLYFGHBRVCV-UHFFFAOYSA-N 440.931 5.536 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 72354139 ZTPXZXMVSHDKMP-SANMLTNESA-N 428.576 5.455 0 40 IKAB COc1cc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc(Br)c1O 89424089 QTFNAXOPUSUNCJ-LCYFTJDESA-N 440.293 5.287 0 40 IKAB O=C(O)c1cccc([C@@H]2Nc3ccc(CCNc4ccccn4)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)c1 100225363 BECXVCFEHZTSAS-HNNVXOBOSA-N 439.559 5.731 0 40 IKAB COc1ccc2nc(NC(=O)NC34C[C@@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)sc2c1 100556614 KVENMYLNZBETLA-LEVZQSSMSA-N 447.604 6.025 0 40 IKAB C[C@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccccc1 101584196 ORXBTMMYPIUXLC-VNAWGFGGSA-N 446.930 5.146 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@]2(C)C3(Cl)Cl)cc1OC 102206762 BSUGGWNAIDDENT-HJOGWXRNSA-N 441.354 6.317 0 40 IKAB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3ccc(Br)cc3)S2)cc1 110705811 NHBYCEULQZPWOY-QGOAFFKASA-N 430.371 5.187 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958343 JAQVHQAVLHDGDG-UHFFFAOYSA-N 432.995 5.725 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207014158 MTTSSBLKPWUHEI-OAHLLOKOSA-N 445.972 5.090 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223265910 XXMZKAFJUMMBHL-AREMUKBSSA-N 444.619 5.803 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 223373368 VLHDJCHLDVAPIK-YADHBBJMSA-N 445.617 5.118 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)c1 224230428 JOQKCADTZYHWSI-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CCN(c1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)S(=O)(=O)c1ccccc1 224355296 OGICQEJITVARHV-UHFFFAOYSA-N 448.466 5.173 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1 224566325 ONSWULISQNOXTE-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224653855 IBCHXHMFOHFLMT-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224725626 KEMZYGWNMLUFON-NRFANRHFSA-N 435.395 5.116 0 40 IKAB COC(=O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032907 LTAVHVNFONNGNO-PKTZIBPZSA-N 447.560 5.043 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(CSc3ccccc3)cc2)C(C)C)c(C)c1 225764538 NQXMSWIFBBYUES-VWLOTQADSA-N 434.674 7.279 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)[nH]n1 257211744 CAGJERMBBFOOOD-KRWDZBQOSA-N 426.948 5.004 0 40 IKAB CCCCCC(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)CC1 257319087 VQQWFTMTVISCEO-UHFFFAOYSA-N 449.035 5.311 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260817044 VOAURTKTVRYFMO-BTKWVRSESA-N 430.633 5.357 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 408543947 GGUBBANQHHOHDD-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408574650 JPPCRBBGDWFDMJ-CQSZACIVSA-N 428.907 5.188 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Sc1nc2ccccc2o1 408635353 ZTCBIHNBZPFNRP-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)c(C)c1 408698016 LAKGTTRSXRNYBS-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1C(C)C 409038472 VNRHPSGGRJTRNF-HMAPJEAMSA-N 425.550 5.551 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 409083997 WPSWFZBUECODEV-JCMHNJIXSA-N 440.996 5.652 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccccc2)c(C)c1 409112934 CTACMFCGFDOFOD-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409115643 SPBCKTGFIPGTQG-UHFFFAOYSA-N 445.968 5.599 0 40 IKAB Fc1ccccc1Cn1cc(C(=S)N2CCCCC2)c2cc(Br)ccc21 409198809 FOBFETTVWSHPRZ-UHFFFAOYSA-N 431.374 5.753 0 40 IKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCCOc1ccccc1C 409206798 LMTPLFSLCOOFPE-UHFFFAOYSA-N 447.600 5.585 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 409379222 VSGHIWFBDLRXJB-JOCHJYFZSA-N 436.533 5.042 0 40 IKAB CC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264598 JTOUOSZAHRAMJQ-BAMDZGJYSA-N 442.527 5.520 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 1848355801 PUKJTWFULBEKQV-VWLOTQADSA-N 447.922 5.325 0 40 IKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)N(c3ccccc3)c3ccccc3)sc2n1 689508 DSRPIKJGHBXKGO-UHFFFAOYSA-N 427.451 6.184 0 40 IKAB CCN(CC)C(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N 1295962 KGKFCPHSLHZTNV-UHFFFAOYSA-N 442.009 6.409 0 40 IKAB O=C(Cc1ccccc1)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CCCCC2)cs1 1366518 XBEIMUAQIVIQLY-UHFFFAOYSA-N 445.588 5.461 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)cc12 1371668 GZFWOJHIAOAVHL-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2c[nH]c(C(=O)NCc3cccc(C(F)(F)F)c3)c2)cc1 1399060 QBGYXGKEUOWRRU-UHFFFAOYSA-N 428.454 5.492 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2ccccn2)cc1 2438551 WHQPNLPWYPRTMN-UHFFFAOYSA-N 430.577 5.928 0 40 IKAB Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)cc1 2452981 BGSIWQMFCIFGRT-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB Cc1ccc(-c2csc3ncn(NC(=O)Nc4ccc(Cl)c(Cl)c4)c(=O)c23)cc1 2640200 IRLWPWQFNIRPBW-UHFFFAOYSA-N 445.331 5.516 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 2742416 AGBDTGXSUDILQN-LLVKDONJSA-N 433.982 6.170 0 40 IKAB Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@H]4CCCC[C@H]43)o2)c(C(C)C)cc1Cl 2791767 MGPIGUQHHXQDOW-GHTZIAJQSA-N 443.971 5.918 0 40 IKAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc(-c2ccc3ccccc3c2)cs1 3398760 DOCQSXZLQYAMIG-UHFFFAOYSA-N 435.936 5.375 0 40 IKAB aggregator Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc5ccccc45)cc3)CC2)cc1 4122848 JIDRHLIOWUIXCX-UHFFFAOYSA-N 449.554 5.363 0 40 IKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(Cl)cc1)C(=S)N2c1ccccc1 4767670 CHUBMIAQKDONCC-RDPSFJRHSA-N 434.948 5.827 0 40 IKAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc(-c2ccccc2)c1-c1ccccc1 6599472 YIKJBCOHWBUJGS-UHFFFAOYSA-N 442.540 6.903 0 40 IKAB O=C(CCC(=O)OCC(=O)c1cccs1)Nc1ccc(Oc2ccccc2)c(Cl)c1 8722047 DDVLGQFKZAZRIF-UHFFFAOYSA-N 443.908 5.339 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(F)cc1 8751230 WXRRCJCCFHBSIF-JKSUJKDBSA-N 439.556 5.009 0 40 IKAB Cc1nn(Cc2cccc(C(F)(F)F)c2)c(=O)n1-c1ccc(Oc2ccccc2)cc1 8781572 MVDCKKHURWSQFM-UHFFFAOYSA-N 425.410 5.202 0 40 IKAB Fc1ccc(OCc2nc(CSc3nnc(C4CC4)n3-c3ccccc3)cs2)cc1 8965621 GMKUKJHTLLKQHV-UHFFFAOYSA-N 438.553 5.612 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1Cl 9517688 DCDBZOWBRQNWRZ-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB Cc1sc2nc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)[nH]c(=O)c2c1C 9728773 XCHOQZIQKQYHDN-VIFPVBQESA-N 444.607 5.130 0 40 IKAB Cc1cc(NC(=O)[C@H](SCCOc2ccc(Br)cc2)c2ccccc2)no1 9883645 MRPNFCKJHOWKRQ-LJQANCHMSA-N 447.354 5.238 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Nc3ccccc3)cc2)cc1 10039981 IEAVVRLCPOBZCH-UHFFFAOYSA-N 437.495 6.046 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 10112189 NQBWRTLQHCFGJC-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccccc1)c1sc2ccccc2c1Cl 12635468 RLWRUDZFSLIPGU-UHFFFAOYSA-N 429.932 6.660 0 40 IKAB CN(Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)Cc1ccc(Cl)cc1Cl 13108039 JLZNVQHHGRANNT-UHFFFAOYSA-N 441.771 5.383 0 40 IKAB Fc1ccccc1N1CCN(c2ccc(-n3nncc3-c3ccc(Cl)cc3)cc2)CC1 13114421 VNRZAJNDJGJKRR-UHFFFAOYSA-N 433.918 5.053 0 40 IKAB Clc1ccc2c(c1)nc(SCc1ccc(Br)cc1)n2Cc1ccccc1 13134082 WBVXZMAXTNCGPX-UHFFFAOYSA-N 443.797 6.793 0 40 IKAB Cc1cc2c3c(c1)-c1c(sn(-c4ccc5ccccc5c4)c1=S)C(C)(C)N3C(=O)C2=O 13513466 CZADWAQTDNAHNQ-UHFFFAOYSA-N 442.565 6.175 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccccc1F 13561452 QUMSPGBJRMVKPV-JOCHJYFZSA-N 440.515 5.473 0 40 IKAB COc1ccccc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628061 RTWNNBLPGFVDTC-SAPNQHFASA-N 428.532 5.897 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)cc2F)n1C(C)C 13956183 DZAINUSPJSRSNN-UHFFFAOYSA-N 446.523 5.064 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 16610670 HHMWPKWUEHWAEJ-ZGUWOUCSSA-N 430.935 7.314 0 40 IKAB Clc1ccc2c(c1)C(c1ccccc1)=Nc1ccc(Cl)cc1C(c1ccccc1)=N2 18143775 MQGFJTPZIBDFDR-UHFFFAOYSA-N 427.334 7.645 0 40 IKAB in-vitro Cc1ccc2cccc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2n1 19234322 YBIQCONSWSZKPH-HXUWFJFHSA-N 446.551 5.070 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCCN2CCCCCC2)n1 19687004 YHAUMLNGQYLIQR-SANMLTNESA-N 437.603 5.440 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3nccc4ccccc34)CC2)n1 19691154 XKAFZMHYZUNXMC-UHFFFAOYSA-N 425.507 5.764 0 40 IKAB CCCN(CCC)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20065904 JRQHUGOCIQFNLS-UHFFFAOYSA-N 439.629 5.317 0 40 IKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 20101565 BESNBPVCNKDZIB-KRWDZBQOSA-N 447.535 5.030 0 40 IKAB Brc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 20111710 CHHFORGPJYRIQU-QHCPKHFHSA-N 433.349 5.745 0 40 IKAB biogenic CCOc1ccc([C@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc23)cc1OC 20899471 XSHSTPVXZKDABF-FQEVSTJZSA-N 448.950 5.791 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)cc1C 21844531 CYYUMNPWIIENIT-MRXNPFEDSA-N 430.624 5.416 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 22528036 LGROSKJOHNDUMR-HHHXNRCGSA-N 441.596 7.237 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 24831877 OSFNWICCEFKZLS-INIZCTEOSA-N 434.569 5.642 0 40 IKAB CCCC[C@H](CC)CN/C=C1/C(=O)N(c2ccc(OC)c(OC)c2)C(=O)c2ccccc21 25784668 WQRQLPKQFGOKLM-VJWQYWRGSA-N 436.552 5.038 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c(C)c1 28289558 AKRBUXZWUOXYSN-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4C)ccc3o2)cc1Br 32115715 NCPFKGPJZFUESY-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@H](c3ccccc3)C2)cc1 35061780 WAPXVSRYLDJVAD-JOCHJYFZSA-N 435.321 5.449 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc2ncsc2c1 40050331 FDTYDSUGHAMKSA-UHFFFAOYSA-N 441.556 5.016 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 44856523 LXPSGIKLDWZLJR-QHCPKHFHSA-N 443.429 5.545 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4cccc(C)c4)no3)nc3ccsc3c2=O)cc1 45939261 GDVTVPBHFYKMSU-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2c3c(ccc2c1=O)OCN(Cc1ccccn1)C3 54313485 JBVWGVNEDORFQS-UHFFFAOYSA-N 444.487 5.040 0 40 IKAB biogenic CCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 57314142 YDZRWEHCDJXGSK-JQIJEIRASA-N 448.526 6.203 0 40 IKAB CCn1cc(Br)cc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 58167453 DABVQMVGXBMYIQ-UHFFFAOYSA-N 427.302 5.167 0 40 IKAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 59287002 PVROJIZNHFBHLQ-UHFFFAOYSA-N 426.438 5.135 0 40 IKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 72193877 FRZOIZFBFBYKLX-XMMPIXPASA-N 440.326 5.309 0 40 IKAB Cc1cccc(CN2CCC[C@@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 72330551 HIXPCWQFYIIFFW-NAKRPHOHSA-N 427.592 5.092 0 40 IKAB COc1ccc2c(CN3CC[C@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)cn(C)c2c1 72352284 STFOPRNKEOINDS-KRWDZBQOSA-N 447.604 5.093 0 40 IKAB CC(=O)N1N=C(c2cccc(C)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 89669315 KNKVAJXABOLFAT-HSZRJFAPSA-N 426.545 5.607 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)[C@@H]2[C@@H]1OC3 100250256 BZNIIOGSANMIET-NKVYJYBBSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cc(C)cc(C)c2)cc1 107964535 XRJLHLYYUUDEJO-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COC(=O)CCC(=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 118924164 OYPYMNFOUYYNKV-YRSQQJHNSA-N 432.601 5.099 0 40 IKAB CCc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 139546219 IKGNWVGZFWTFIF-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CCCOc1ccccc1CCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 218990876 JQOKBPPTQRHYNL-UHFFFAOYSA-N 437.967 6.070 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223126910 VDYGMZNHUYUOGO-RUZDIDTESA-N 448.994 5.396 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 223271465 JJDDGPKGUQIBMT-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1F 223655503 SZOKBBSNESBWTL-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224132484 GOQIPVRGRXGHTC-NRFANRHFSA-N 433.017 5.156 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224283781 CGPOLOICEHZZPV-NRFANRHFSA-N 431.576 5.951 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 224391383 FCMPCXRZKCACQT-NHCUHLMSSA-N 449.580 5.262 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc2ccccc2c1 224640040 DMNXXVCLAVFGLF-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CCCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OCC 224712105 QEWDMJZCMGMNBM-UHFFFAOYSA-N 427.522 5.266 0 40 IKAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(Br)cc1 224735438 IFHYWNMAWCCBMU-UHFFFAOYSA-N 442.684 5.337 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225136420 HOAMPGUTBILGLW-ZWKOTPCHSA-N 433.017 5.154 0 40 IKAB Nc1c(-c2ccc(Cl)cc2Cl)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225180416 QHNIELFESMBPOJ-UHFFFAOYSA-N 440.174 6.466 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4c(F)cccc4Cl)CC3)s2)cc1 225576140 PHJSLTFGUOEECV-UHFFFAOYSA-N 444.963 5.157 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225640698 ZKBVIIYHYOXAES-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CCOc1ccc(CCC(=O)Nc2nnc(SCc3ccccc3)s2)cc1OCC 225711125 VFPHASJCUQETPT-UHFFFAOYSA-N 443.594 5.199 0 40 IKAB COc1ccccc1-c1ccc(CC2(C(=O)NCc3cccc(F)c3)CCOCC2)cc1 257219232 DGCIKWUMAPBPHV-UHFFFAOYSA-N 433.523 5.157 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 257327562 XBVKRTGQIZHKQC-XMMPIXPASA-N 438.930 5.695 0 40 IKAB CC(C)Sc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408680643 OVIMGLDSTIPIKC-UHFFFAOYSA-N 430.617 5.735 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3cccc(C)c3)n2)cc1 408693961 GDPFJYFDURDOHS-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCCCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@](O)(C(F)(F)F)C1 408953578 MDSSHBYGCKDBGW-OAQYLSRUSA-N 428.495 5.307 0 40 IKAB CC(C)Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409099232 KGETUQQXRUTLDG-UHFFFAOYSA-N 426.800 6.854 0 40 IKAB CC(C)c1ccccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409113253 ADXUZPPNDTUBDT-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB COCCN1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409124867 DDYLBNFJRGGZQP-HYARGMPZSA-N 437.492 5.241 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OCC 409139749 BUYOJLJTVLQOJS-HMMYKYKNSA-N 445.968 5.807 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccccc2C)C1=O 409152530 FNJDEAMLWALCLT-HYARGMPZSA-N 446.528 5.222 0 40 IKAB O=C(O)c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409340345 VOXSGNNHTRYGCK-SANMLTNESA-N 434.495 5.751 0 40 IKAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1Cl 409410860 RHCSUZCNWIJKGT-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550598 KWYQREKWMORGAF-HXUWFJFHSA-N 444.966 5.389 0 40 IKAB Cc1ccc(CN2CCOCCOc3ccc(C(C)C)cc3Cc3cccc(c3)C2)cc1 643565665 GHVSTAXLLJBIFY-UHFFFAOYSA-N 429.604 6.120 0 40 IKAB O=C(O)Cc1ccc2c(c1)[C@@H](NC(=O)OCC1c3ccccc3-c3ccccc31)CCC2 1857791587 FNEDFOBFMTUSMY-VWLOTQADSA-N 427.500 5.230 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)COc3c(C)cccc3C)c2)c1 683276 LFYOOKYNIUPLTE-UHFFFAOYSA-N 436.939 5.843 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 900716 SOWCIERNXNWCKA-RTBURBONSA-N 430.886 5.769 0 40 IKAB Cc1cc(F)ccc1NC(=O)CCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 917982 FKISPIWTBRSPPD-UHFFFAOYSA-N 425.407 5.324 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)/C=C/c1ccccc1 928834 ZTHHYNFEBPEASH-CCEZHUSRSA-N 448.494 5.527 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1nc(C)n(-c2cc(OC)c(Cl)cc2Cl)n1 1400989 KBUYRODPYLCOIV-UHFFFAOYSA-N 433.339 5.268 0 40 IKAB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1 2030644 PPOZJDHLKUGABS-OKHMJZBSSA-N 437.539 5.436 0 40 IKAB biogenic CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 2177492 MVOPESAGXIYHJG-AATYUJHQSA-N 436.382 7.111 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2c(C)cccc2C)cc1 2235320 ONHMQZOMIDCVBT-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2N)cc1 2373984 MVJSEWCZIZXKTC-UHFFFAOYSA-N 437.613 5.030 0 40 IKAB Cc1nnc(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1-c1ccccc1 3297417 JODJITZLVILGMO-HSZRJFAPSA-N 433.508 5.615 0 40 IKAB Clc1ccc(CSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3339732 CKMRCJVJPWVNMB-OAQYLSRUSA-N 435.936 5.726 0 40 IKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(-c2ccccc2)cc1 3341143 CCXYVAQJQWKWJL-NDEPHWFRSA-N 431.491 6.616 0 40 IKAB O=S(=O)(N[C@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1 3412631 WZMJAIPFZIJGMG-LJQANCHMSA-N 432.998 5.022 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)sc2c1 3768137 NPPKMQHIZUINIE-UHFFFAOYSA-N 446.903 6.098 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)cc1 4213749 GMLGDLAXRADMFF-OAHLLOKOSA-N 425.623 5.882 0 40 IKAB CCCC[C@@H](CC)COc1c(C(=O)O)sc(C(=O)O)c1OC[C@H](CC)CCCC 4727818 ZFDZVPVIEZTUPH-HZPDHXFCSA-N 428.591 6.335 0 40 IKAB CCC(C)(C)SCC(=O)OC[C@]1(C)CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 4804318 OGDFLFXEEQMLTP-HSWFVFMJSA-N 432.714 7.587 0 40 IKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]56O[C@@H](CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@@H]2C1)C6(C)C 4972897 JVGFZGDTAYCUDA-YNCVGHRNSA-N 426.729 8.409 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 6193998 MJOWPQLCYVLIJZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 8606588 AGHUMTRLJJPBLP-LJQANCHMSA-N 445.950 5.657 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 8816360 LIMYEGUYRLWQAI-MOPGFXCFSA-N 449.528 5.351 0 40 IKAB CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6CCCCO6)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 8918222 DNWMPSZEZKPTQK-KMPLBEPYSA-N 444.656 6.240 0 40 IKAB biogenic COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 9043606 VJYHOXGJQWDJRY-JYFHCDHNSA-N 446.978 6.888 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1cccnc1 9293566 LKJWKHLDQMOVML-HXUWFJFHSA-N 437.282 5.240 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 9295710 YQNDWEHAKUNKMQ-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB Cc1c(C)n(Cc2ccncc2)c2ncn3nc(COc4ccc(C(C)(C)C)cc4)nc3c12 9305055 HVFAYFRWPJPXKY-UHFFFAOYSA-N 440.551 5.016 0 40 IKAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1NC(=O)c1ccco1 9322971 DFTVBDAHRBSNNQ-UHFFFAOYSA-N 431.536 5.103 0 40 IKAB COc1ccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)c3ccccc3)c(Cl)nc2c1 9369880 NLJOGGDLDQOWLM-DEOSSOPVSA-N 441.918 5.888 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc3ccccc3s2)sc2c1CCC2 9444103 KHJTWEXYKQBKJU-LLVKDONJSA-N 432.592 5.143 0 40 IKAB CCCCc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 9446913 VCPAVRLQLUMPCR-UHFFFAOYSA-N 447.026 7.742 0 40 IKAB Cc1ccn2cc(-c3ccc(NS(=O)(=O)c4ccc(-c5ccccc5)cc4)cc3)nc2n1 9572172 FZMFVFAIJOYLDQ-UHFFFAOYSA-N 440.528 5.173 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 9662566 UDASGTPSELTFIS-UHFFFAOYSA-N 425.510 5.384 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 10314511 FEAAOOAQFRUDND-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 10366098 FHQHAJAKWCHXPO-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1OC 12322686 XNQBBOLAFMHPCH-UHFFFAOYSA-N 436.577 5.231 0 40 IKAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ccc(-c2nnc3n2CCCCC3)cc1 12683551 YXVVEHOSYVGLRU-UHFFFAOYSA-N 442.563 5.152 0 40 IKAB COc1ccc(Cl)cc1-c1nn(CN(C)[C@H](C)c2nc3ccccc3s2)c(=S)[nH]1 12822401 LJUFABUCHBDCRP-GFCCVEGCSA-N 446.001 5.530 0 40 IKAB O=C(Nc1ccc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1Cl)c1ccco1 12856748 KAIVXCMPWVIBJJ-UHFFFAOYSA-N 430.716 5.133 0 40 IKAB CCOc1ccc(-c2nc(CSCC(=O)Nc3cc(Cl)ccc3OC)cs2)cc1 12927897 OXYGWPLVOBORSW-UHFFFAOYSA-N 448.997 5.743 0 40 IKAB Cc1ccc(SCCN[C@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 12993660 FSGFEJMNPFCVAQ-CQSZACIVSA-N 427.620 5.464 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)cc1 13027687 WZYLFTPIYBICKV-JOCHJYFZSA-N 435.321 5.449 0 40 IKAB COc1cc2c(cc1NC(=O)CN(C)Cc1ccc(Cl)c(Cl)c1)oc1ccccc12 13038052 ISAXJVRSOQMEOV-UHFFFAOYSA-N 443.330 5.972 0 40 IKAB CCOc1ccccc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 13141275 CWTBQUWWEATIBR-UHFFFAOYSA-N 425.941 5.759 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@H](C)c2ccccc2)c1 13512134 CPOWFQBHXRKCGX-MRXNPFEDSA-N 448.548 5.195 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 13564190 AWRQZCOGPCRLAZ-DENIHFKCSA-N 427.342 5.278 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 13691851 FHXHEUYDDWRIDU-UHFFFAOYSA-N 432.911 5.374 0 40 IKAB C[C@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccnc1Cl 15856718 MDBIVYVJSJMZDZ-AWEZNQCLSA-N 445.302 5.151 0 40 IKAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 15860073 WAUVMBRNMIEXTM-QHCPKHFHSA-N 433.552 5.016 0 40 IKAB CCc1cccc(C)c1Nc1nc2cc(OC)ccc2nc1NS(=O)(=O)c1ccccc1 16162371 YMBOVTJGVHOJHI-UHFFFAOYSA-N 448.548 5.054 0 40 IKAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 16196253 WZYCDHQOAOPQRI-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)c(Cl)c1 16196317 JLZOFUDSAPIZLB-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2)CC1 16609319 DYJZPSWWTRUJQA-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 16688683 MYMYIXPUYLISFR-JOCHJYFZSA-N 446.374 5.794 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c2c1 16977506 GRWHVRVYDIPRFW-UHFFFAOYSA-N 437.540 5.659 0 40 IKAB CCc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 17095984 UOBDZSXMHNYCQK-UHFFFAOYSA-N 428.536 5.432 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)NC34CC5CC(CC(C5)C3)C4)o2)cc1Cl 17096262 LUWIHDFFIDMHFY-UHFFFAOYSA-N 428.985 5.482 0 40 IKAB Cc1c(NC(=S)NC(=O)C(C)(C)C)cccc1-c1nc2cc(Cl)cc(Cl)c2o1 17100022 ZWZNKYJDOJLACC-UHFFFAOYSA-N 436.364 5.969 0 40 IKAB Cc1ccc(-c2csc(N3N=C(c4ccc5c(c4)CCCC5)C[C@H]3c3ccccc3)n2)cc1 19851170 TYAVABCAWKJJEF-NDEPHWFRSA-N 449.623 7.353 0 40 IKAB Cc1ccc(OCCn2c(=N)n(Cc3ccc(Br)cc3)c3ccccc32)cc1 21548832 AIACRHWHKWJVKP-UHFFFAOYSA-N 436.353 5.120 0 40 IKAB Clc1ccc(-c2nc(SCCN3CCOCC3)[nH]c2-c2ccc(Cl)cc2)cc1 22611763 WQLCYKKODHWJHC-UHFFFAOYSA-N 434.392 5.475 0 40 IKAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2cc(-c3ccc(Cl)cc3)sc12 23937074 AXLGYLOCVHXZTQ-MRXNPFEDSA-N 427.982 5.704 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1cc2ccccc2c(=O)[nH]1 24283549 MFDIAXCJYFNVRI-UHFFFAOYSA-N 435.277 5.335 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 26580597 WHDCWXDYGBQFQI-BGSGZOGBSA-N 436.511 5.822 0 40 IKAB Cc1ccc(C)c(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c1 27666452 YHTNSBWVHRCERL-UHFFFAOYSA-N 426.568 5.183 0 40 IKAB COc1ccc(-c2ccc(SCc3nc(-c4ccc(C)c(C)c4)no3)nn2)cc1OC 33262526 NZTLFOVBRZOJSB-UHFFFAOYSA-N 434.521 5.120 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 35124596 HUZMKBOWIOVXPI-SDNWHVSQSA-N 442.028 5.980 0 40 IKAB Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3cnccn23)c(C)c1 35615785 VXJCIWXJZWEQBE-UHFFFAOYSA-N 442.607 7.057 0 40 IKAB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 35647215 HEAQJOHYJCQATK-OVCLIPMQSA-N 440.830 5.037 0 40 IKAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 41078214 SVFAVNAZHSBQND-UHFFFAOYSA-N 433.986 5.665 0 40 IKAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3cccc(Cl)c3)C2=S)cc1 45933298 XYRUZIHDKLFXFI-UHFFFAOYSA-N 439.024 6.570 0 40 IKAB CC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C 51330464 LWCCFKSLVJUWCE-CBPOSLDBSA-N 427.573 6.455 0 40 IKAB CCOc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)sc2c1 57313747 KHVODMLOVQQWIC-UHFFFAOYSA-N 435.343 5.254 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1Cl 59268242 JPWWREUBOFUJPW-UHFFFAOYSA-N 449.146 6.081 0 40 IKAB COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 72330496 OMCGVHHFEZRBJQ-GJZUVCINSA-N 443.591 5.090 0 40 IKAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)COc1ccc(Br)cc1 79104913 ZBANFGAXLGSXFI-UHFFFAOYSA-N 435.318 5.122 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)cc1 106703995 RAGUOYMHPQGPJZ-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OC)c2)cc1 107734290 GEJWNBJULFPHOS-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222546049 LQYJXBQWVGDORK-XMMPIXPASA-N 443.031 5.728 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccc(CSc4ccc(C)cc4)cc3)s2)cc1 223241484 UHUSVMLTONSTNR-UHFFFAOYSA-N 447.585 6.067 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1cccnc1 223473801 BKDPVDVHSIUSTJ-XZOQPEGZSA-N 444.585 5.394 0 40 IKAB CN(C(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 224067903 XWWAWWVOJISUOS-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)cc1 224080890 NKNYGIJOGHPXQT-IBGZPJMESA-N 426.576 5.214 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224107724 KREGDJISUOFLGD-LJQANCHMSA-N 447.044 5.402 0 40 IKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1CSc1ccccc1 224331744 IFXLAPAOTPKLOH-UHFFFAOYSA-N 439.580 6.507 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1)S(=O)(=O)c1ccccc1 224358131 RASODBXUUJDWCL-UHFFFAOYSA-N 448.466 5.173 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224583083 HAGJFBLDPYRCHR-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 224763312 HMXLFLDEECFWDE-IBGZPJMESA-N 438.420 6.425 0 40 IKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C 224866515 VHNKOSYJXRABHR-NHCUHLMSSA-N 426.973 5.056 0 40 IKAB COC(=O)CN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 225048310 QYSNWTOGXGRBMY-UHFFFAOYSA-N 447.512 5.000 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)c1 225145552 VINXRSURYUDADC-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1 225608046 UZFKDVLOLGVJBE-UHFFFAOYSA-N 434.030 5.077 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c(C)c1 225864739 GJEHEETYRZGSOB-UHFFFAOYSA-N 426.582 5.326 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 226707868 YKEWWKPTTWZMRI-AXHNFQJDSA-N 432.446 5.902 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccccc3Br)o2)c(Br)c1 227157380 RRIDSRDAOIXOSM-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB C[C@H]1CCCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)C1 253603943 PLNUAKYXAQBNBW-REWPJTCUSA-N 447.627 5.061 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]4(O)/C=C/c4ccccc4)[C@@H]3CC[C@@H]2C1 253617325 JBTRSWYBSZRTOK-PQNSPXJVSA-N 436.636 6.405 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257217814 DATAHXDYCUCAKJ-OAQYLSRUSA-N 426.463 5.065 0 40 IKAB COc1cc(Cl)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)c1OC 257272840 NECDMQMDFOEADE-JQYZUEPWSA-N 435.992 5.012 0 40 IKAB Cc1ccc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)cn1 257278370 OBZAHZFNIMWJFP-RBBKRZOGSA-N 440.971 5.215 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@@H]3C[C@H]21 257345091 ZZXPGTDJAKUMGZ-HWLQVEPHSA-N 441.955 5.178 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2O)c(C)c1 408543528 PRVRWOKPLXCXEV-UHFFFAOYSA-N 448.523 5.127 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nn12 408574465 QZPFJNMALWAANU-WYMLVPIESA-N 427.489 5.073 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 408699196 VJSJBAKCFQTPON-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)NC3CCCCC3)cc2s1 408748800 HSBDYEHJOQIYGD-UHFFFAOYSA-N 439.606 5.723 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Br)c1OCC 409019580 JUXVNPSIKIPAIS-KBVGCWLLSA-N 428.348 5.081 0 40 IKAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409086919 HYHDDXKEOIDMGM-HTMJNSLASA-N 447.965 5.479 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(COc2ccc(Br)cc2)cc1 409173446 NHGDYBKGJQAEFE-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB CCc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1 752710 HFAONBQKKWOWOS-UHFFFAOYSA-N 447.556 6.104 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccc(C)cc3C)cc2c1 885039 XSHBAKWMOULPNK-QFIPXVFZSA-N 449.620 5.085 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1Cl 902026 ACADGQGWXOGEKX-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)n1cnc2scc(-c3ccc4ccccc4c3)c2c1=O 937709 DWTJGFMUYLVJEW-QGZVFWFLSA-N 439.540 5.786 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2cccc(Cl)c2)c1)c1ccc(-c2ccccc2)cc1 1807194 AHGLYDMLJDSVFG-UHFFFAOYSA-N 426.903 6.512 0 40 IKAB Cc1cccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1 1890792 VJQQROZUWQCSCJ-XMMPIXPASA-N 427.573 6.522 0 40 IKAB O=C(Nc1nc2c(s1)CCc1ccccc1-2)c1cc(-c2ccccc2)nc2ccccc12 1893742 MGHFIBWEJLTTTB-UHFFFAOYSA-N 433.536 6.376 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2scc(-c3ccc(Br)cc3)c12 1911893 HYGVRHOMOMTKDO-CQSZACIVSA-N 437.384 5.555 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cc(Cl)ccc1Cl 2067264 RLPYDXYYGXRALQ-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC(C)CCOC(=O)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 2077938 RDXMOJNCMSIKCC-UHFFFAOYSA-N 438.527 5.973 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCCCC1 2083383 JPRHZCNGHYNCPY-AREMUKBSSA-N 438.615 6.439 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1c(C)cc(C)cc1C)S(=O)(=O)c1ccccc1 2648489 IBSBUDPIUVPFNL-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Fc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2714452 PEESHPSQBNOOEO-UHFFFAOYSA-N 428.898 6.492 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)n1 2771772 OVUMTRDRXRRLDD-UHFFFAOYSA-N 435.552 6.575 0 40 IKAB CC[C@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 2801781 MJOMTHNMGORLLP-AWEZNQCLSA-N 440.565 6.351 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccc(Br)cc2)n[nH]1 3326144 QVBUPVVKKRFAMV-UHFFFAOYSA-N 432.343 5.128 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1nncs1)c1ccccc1 3332874 KHBXJUSOZWVDSY-CQSZACIVSA-N 429.876 5.682 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3356034 SSYMVOCJMKOWQB-QGZVFWFLSA-N 432.524 5.217 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 3413570 RTOOIZFAVRKQOH-ACCUITESSA-N 439.342 5.618 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cc(F)c(F)cc1Cl 3458520 BBALFQJWGKNFCW-UHFFFAOYSA-N 438.933 6.784 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 3664099 WZLXEUZWEOCYMA-QHCPKHFHSA-N 435.365 6.563 0 40 IKAB CC1(C)CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 5231409 JFSHUTJDVKUMTJ-SGVHOMSISA-N 426.729 8.169 0 40 IKAB CC(C)C(=O)Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 8383288 KOIFSYMWNGJYQB-HSZRJFAPSA-N 435.907 5.716 0 40 IKAB CC1(C)c2ccccc2-n2c1cc(O)c(Sc1cc(Cl)c(Cl)cc1Cl)c2=O 8384792 NFMAFJLRDIUIBK-UHFFFAOYSA-N 438.763 6.294 0 40 IKAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 8690525 ZINBTJIEEGTFGN-KRWDZBQOSA-N 431.256 6.080 0 40 IKAB COc1cc(C)c(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1OC 8705607 LNYTZOWIGNTFKG-UHFFFAOYSA-N 433.533 5.433 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Br)o1)N(C1=CCCCC1)C1CC1 8719186 DWIYZOSXNYRAET-UHFFFAOYSA-N 434.359 5.040 0 40 IKAB Clc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 8738138 ATZHRUMOZNEMAH-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccccc4)cs3)c3ccccn23)cc1 8844889 KTNAGLNHMZCYCQ-UHFFFAOYSA-N 439.540 5.942 0 40 IKAB CCn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1ccc(Cl)cc1 8873920 AMTGXEARANHBCD-UHFFFAOYSA-N 427.879 5.842 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc21 8959036 CUIMNTNKJWIRFX-UHFFFAOYSA-N 434.458 5.365 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1 9059441 CZKAKEQGKAVHAD-UHFFFAOYSA-N 441.837 5.686 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)cc1C 9076061 HEVPJVZPURGBGF-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccs2)cc(-c2nc3ccccc3s2)c1O 9192348 DWGGARUSFHPBAQ-UHFFFAOYSA-N 425.560 5.166 0 40 IKAB CC[C@@H](c1nnc(SCc2ncc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C 9820138 GZNCVSCKWNPSCK-FQEVSTJZSA-N 433.581 5.286 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc12 10285261 GRXAENSSTHGAFC-CQSZACIVSA-N 441.906 5.522 0 40 IKAB Cc1ccc2[nH]c(=O)cc(CSc3nc4cc(C(F)(F)F)ccc4n3C3CC3)c2c1 12462595 RECPURFFORPKIU-UHFFFAOYSA-N 429.467 5.832 0 40 IKAB biogenic,in-vitro Cc1nc(CSc2ccc(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 12547235 WLDYRULOTWOUAO-INIZCTEOSA-N 434.590 5.421 0 40 IKAB Cc1ccccc1N[P@]1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C 12559709 SSXKIVUNMDWCGZ-JGCGQSQUSA-N 441.475 5.443 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCCOc3ccccc3)[C@H]2c2cccs2)cc1 12630564 YIZFEFYPIFJWLF-QPPBQGQZSA-N 435.545 5.163 0 40 IKAB CC[C@@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(C)cc1 12822236 MONRICGLMVVADX-HXUWFJFHSA-N 431.561 5.009 0 40 IKAB COc1ccc(-c2nc(CSc3n[nH]c(/C=C/c4ccc(C)o4)n3)cs2)cc1OC 12841847 OTCFYDOFUAWHME-VQHVLOKHSA-N 440.550 5.310 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 12850532 DQGDTCJGHWXRNJ-NUJGCVRESA-N 440.897 5.602 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 12892682 NNKJRNLHPABJAA-HNNXBMFYSA-N 442.515 5.236 0 40 IKAB biogenic CCOc1ccc2nc(NC(=O)c3ccc(SCc4cscn4)cc3)sc2c1 12975108 SZSQCGMDDBWZOR-UHFFFAOYSA-N 427.576 5.696 0 40 IKAB CCOC(=O)c1cc(-c2ccccn2)nc2c1c(C)nn2-c1ccc(Cl)c(Cl)c1 13129829 RMAFPIQCWFQCMK-UHFFFAOYSA-N 427.291 5.274 0 40 IKAB Cc1sc2ncnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)c2c1C 13164256 DYDOLDRNIFSJCN-GFCCVEGCSA-N 428.608 5.230 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13708692 TYOMPMHBWXLCAU-KRWDZBQOSA-N 429.903 6.130 0 40 IKAB COc1ccc(OC)c(N(CC(=O)c2ccc(Br)cc2)C2=NCCCCC2)c1 16769625 XRNHULVXOFNDHD-UHFFFAOYSA-N 445.357 5.128 0 40 IKAB Cc1cc(NC(=O)COc2ccc3ccccc3c2)c(C)cc1I 17097350 UOYZUICQJDLAFZ-UHFFFAOYSA-N 431.273 5.079 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c(Cl)c1 17098470 GSNFTXLTTSKAGF-UHFFFAOYSA-N 433.527 5.434 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5ccccc5c4)cc3)oc2c1 17101483 WQBNWJFGXBXBIY-UHFFFAOYSA-N 437.524 6.083 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 17101717 NDBBETSDLLEYMA-BJMVGYQFSA-N 437.790 5.752 0 40 IKAB COc1cccc([C@H](Nc2nc(-c3ccsc3)nc3ccccc23)c2nccn2C)c1 17591202 TXNMUIJHFVAUDY-NRFANRHFSA-N 427.533 5.302 0 40 IKAB COc1cccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1OC 19691169 XFIMVDDBGPINLQ-UHFFFAOYSA-N 434.511 5.233 0 40 IKAB CCCN(CC1CC1)[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O 19890053 FMWUSZZVKQEKSI-OAQYLSRUSA-N 433.577 5.026 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20035586 IJRLYWSZDPCMPI-UHFFFAOYSA-N 439.602 5.738 0 40 IKAB COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 20405384 FOKJNZRLRCXIIV-NRFANRHFSA-N 446.330 5.145 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(C)c1 20451185 ZTUSEOBDBUJCIL-UHFFFAOYSA-N 435.545 5.595 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)CC1 20457697 OIEXZBIWRFTYAF-UHFFFAOYSA-N 434.967 6.617 0 40 IKAB CCc1n[nH]c(SCc2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)n1 20611429 TVPNIPOEMOFREN-UHFFFAOYSA-N 428.970 5.780 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3OC)nnc2c1-c1cccc2ccccc12 20672773 GHTCXCKGVKWCGP-UHFFFAOYSA-N 437.503 5.076 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 21409755 KIGSSRKGMBRNCC-LLVKDONJSA-N 425.262 5.737 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)/C=C/c2ccc(C)s2)cs1 21465157 HYTKDTSILBMQNH-MDZDMXLPSA-N 426.563 5.571 0 40 IKAB Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4ccccc4)no3)C3CCCC3)C2)cc1 22255738 HAPPFXBEZKKWJK-JOCHJYFZSA-N 444.579 5.233 0 40 IKAB Cc1c(Cl)cccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccccc1 22274950 UZWFSMQWDXJPDO-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1c(C(=O)Nc2ccc(OCc3cccnc3)c(Cl)c2)cnn1-c1ccc(F)cc1 26261246 UNYZQKYZMBJLLD-UHFFFAOYSA-N 436.874 5.200 0 40 IKAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(Br)cc3)nc12 27117647 GJZZGUBPGZCDAY-UHFFFAOYSA-N 431.131 5.532 0 40 IKAB CCCOc1cccc(C(=O)N(CC)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)c1 27993263 DPGAQICZGWPYIQ-MHZLTWQESA-N 426.560 6.517 0 40 IKAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 32072567 UYRNDGCBKDXCBQ-QGZVFWFLSA-N 444.413 5.057 0 40 IKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(O)c1)c1cccc(OCc2ccccc2)c1 32093136 FMDRSQLZPKHJCP-UHFFFAOYSA-N 437.455 5.427 0 40 IKAB CCN(CC)[P@]1(=Nc2cccc(C)c2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32690961 NQQKOQYSALBODT-ZJXHYCNCSA-N 449.583 6.878 0 40 IKAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33705039 XAQNVUYVMRDDDJ-UHFFFAOYSA-N 435.549 5.429 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349363 ROECBBIZWSTVOX-QFIPXVFZSA-N 432.539 5.159 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cs1 72350061 RRJZSSSNJTWKSU-GOSISDBHSA-N 425.985 5.039 0 40 IKAB O=C(N[C@H](N1c2ccccc2Sc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 72414143 XCMLXJLDFPHQDC-HXUWFJFHSA-N 449.790 6.416 0 40 IKAB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 102674634 PLFDGEWUSRERIU-MPPVQRIUSA-N 447.534 5.509 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2cccc(C)c2)cc1OCc1ccccc1 108123506 KLEHCJDIPLLVFA-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(Cl)cc1Cl 216831996 QDLCQQQWWYDYJS-UHFFFAOYSA-N 434.113 5.520 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 222414373 KDBJPWYZPWCEKQ-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 222545950 GMWJZYLNKJYUEC-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222677639 MEHIRAUGJNUTQN-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222704534 XTGDJWNEPLHXFA-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)cc1Cl 222728431 PXPASEDVJKTYSG-SFHVURJKSA-N 440.392 5.654 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 222894971 XJLLDUHIXSUSQK-SANMLTNESA-N 446.591 5.113 0 40 IKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223360361 CJVPBSQXQQAGBF-SANMLTNESA-N 448.994 5.569 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223657624 MBMKBTUQAQNETI-HSZRJFAPSA-N 426.626 5.201 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 223806493 BWCWQZQFRWGIGI-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223865112 DHVLQODPKKHJSJ-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223939632 DUGVUVBUZSJCIP-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)cc1C 223947600 MSXGTTFQHGBZMO-UHFFFAOYSA-N 430.614 5.357 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224176224 UATHIPGKUGLYGR-NRFANRHFSA-N 445.603 6.323 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)nc1 224226895 NCVHQOZXJAGVAK-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C 224386423 SOHSPXWBSDOSAK-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224411421 LCBAZYMSNYIGGX-PKTZIBPZSA-N 433.483 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc(Cl)c1 224494243 YJJHZIOAUYKSAY-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 224572558 NYYZMVUXYBGIHT-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccc(C)cc1 224664299 JVGFJORRMHWELF-UHFFFAOYSA-N 437.561 5.956 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 224849317 YCMXYDVZEDZCSJ-HSZRJFAPSA-N 446.513 5.090 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225000371 JXJADZYKLOMQIA-FQEVSTJZSA-N 441.015 5.181 0 40 IKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 225526096 SHKKMHGPFWFQNX-HXUWFJFHSA-N 441.015 5.901 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225526101 REOYGZIGDGNMKI-VGOFRKELSA-N 432.967 5.052 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OCc1ccccc1 225554966 IDGVQJKHOACKKT-UHFFFAOYSA-N 433.979 7.068 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCCCCC1 225659868 VXNHQVDVEXSQCS-UHFFFAOYSA-N 430.633 5.790 0 40 IKAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833479 JKCZESUIZWIVPG-UHFFFAOYSA-N 425.532 6.100 0 40 IKAB CCCCC(=O)N1CCC[C@@H]1c1ccc(C(=O)O)c(CCOc2ccc(Cl)c(C)c2)n1 257266829 MERXOZNTTMYTHP-JOCHJYFZSA-N 444.959 5.217 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 257292247 QKQNQTGSYLJYMX-NQSCKRDGSA-N 432.568 5.251 0 40 IKAB CCCOc1ccc(C(=O)O)cc1[C@H]1C[C@](C)(NC(C)=O)C[C@@H](c2ccc(Cl)cc2)O1 257321309 WBBZUHATAQWHKU-WMTXJRDZSA-N 445.943 5.315 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4c(C)cc(C)cc4C)sc3c2)cc1 408750740 REDFHBXDYWJZJR-UHFFFAOYSA-N 432.614 7.075 0 40 IKAB CCCCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4F)cc3)C(=O)O2)cc1 409003096 DHJKVPWGPLUUJZ-KOEQRZSOSA-N 445.490 5.928 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409024980 OSAANUDFBBRPIH-UHFFFAOYSA-N 426.025 6.929 0 40 IKAB O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 409232653 AXOOPUVGLNYABW-STZFKDTASA-N 437.973 6.728 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409412663 ZEUXSFJKBABPJY-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(-n3ccnn3)c2)c1 566997898 JBGMCAUUKLTEQW-JWQCQUIFSA-N 439.519 5.039 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COc2ccccc2Br)o1 667844 RNGLCZFJHZQHJY-AWEZNQCLSA-N 444.300 5.742 0 40 IKAB COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC 729504 IDVWAKXQPFNNCL-BJKOFHAPSA-N 437.923 5.510 0 40 IKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4C(F)(F)F)n3c2c1C 903121 FJQUDSLMBWGYRO-UHFFFAOYSA-N 444.482 5.557 0 40 IKAB COc1cc(NC(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc(OC)c1OC 999797 UVTTWQMNLOQPGL-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)s1 1365078 UIJPBQDITKTOID-QHCPKHFHSA-N 447.604 5.597 0 40 IKAB Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1371659 ORTSIYCUKXMQTF-UHFFFAOYSA-N 443.522 5.827 0 40 IKAB COc1cc(C(Sc2ccccc2C(=O)O)Sc2ccccc2C(=O)O)ccc1O 1599629 GNQIOSPGKUJYRH-UHFFFAOYSA-N 442.514 5.380 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 1776601 OZPWIYLBOWATGZ-MUUNZHRXSA-N 449.550 6.418 0 40 IKAB CC(C)(C)NCCCn1c(-c2ccc(Br)cc2)cn2c3ccccc3nc12 1830744 FYGZCLCQCLHRPD-UHFFFAOYSA-N 425.374 5.497 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(C(C)C)c(C)c1 1986321 CMNMNABGCDPKDS-UHFFFAOYSA-N 437.561 6.041 0 40 IKAB O=C(Nc1cccc(Nc2ccccc2)c1)c1cccc(COc2ccc(Cl)cc2)c1 2105564 QNUMUHYKXHRENH-UHFFFAOYSA-N 428.919 6.915 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(C)c(C)c2)c2ccc(OC(=O)c3ccccc3)cc12 2280177 PKFPPCIQVFKNEM-UHFFFAOYSA-N 427.500 5.952 0 40 IKAB biogenic COc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc(F)cc5)N42)c2ccccc2CC3)cc1 2342431 JHCYWXPHRBJVCX-AREMUKBSSA-N 440.543 6.650 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)ccc(C)c2C)cc1 2366674 BTIYCXWWNIYMKH-UHFFFAOYSA-N 428.532 5.466 0 40 IKAB CC(C)(C)c1ccc(-c2cc(NC(=O)C(Cl)=C(Cl)Cl)c(C(N)=O)s2)cc1 2388152 ALAUUQOTDQKXOF-UHFFFAOYSA-N 431.772 5.636 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)CCN1c3ccccc3Sc3ccccc31)CC2 2635614 IUXVTFLIULOERA-UHFFFAOYSA-N 446.572 5.282 0 40 IKAB Cc1cc(C)c(C(=O)c2ccccc2)c(OC(=O)c2c(Cl)cc(Cl)cc2Cl)n1 3128724 LFGISDKBRIDNQH-UHFFFAOYSA-N 434.706 6.109 0 40 IKAB Cc1ccc(Oc2c(COC(=O)c3ccccc3Cl)c(-c3ccccc3)nn2C)cc1 3135103 IOTWHDQEDXMKGX-UHFFFAOYSA-N 432.907 6.198 0 40 IKAB O=C(c1ccc(Cl)cc1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 3226984 NJPGBNDZYGGANB-UHFFFAOYSA-N 446.931 7.243 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1c2c(nc3ccccc13)CCCCC2 3328320 QGANXHFADFIODK-UHFFFAOYSA-N 434.583 6.456 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)COC(=O)c3cc(C)nc4ccccc34)n2)c(C)c1 3340469 CFFURUQQWWRTHR-UHFFFAOYSA-N 445.544 5.387 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1)c1ccccc1F 3358813 CKPRIJAGOBIZNH-UHFFFAOYSA-N 438.911 5.212 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4062191 XUGISPSHIFXEHZ-FMRUUPONSA-N 428.701 7.960 0 40 IKAB biogenic CCCCCC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)[C@@H](CCCC)C(=O)C[C@H]1c1ccc(C)cc1 5707146 WRFIWFQYNGCGCJ-RPQLRNILSA-N 432.648 7.716 0 40 IKAB CCCS(=O)(=O)c1c(Nc2ccc(CC)cc2)sc(C(=O)c2ccc(C)cc2)c1N 8756730 BPTVJOJKGUGHHB-UHFFFAOYSA-N 442.606 5.359 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)cc1C 8757040 GGSJWMKGAWNFTL-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB COc1ccccc1N1C(=O)C(Nc2ccc(F)cc2)=C(Sc2ccc(C)cc2)C1=O 8763844 CQDUISIRMWXAIN-UHFFFAOYSA-N 434.492 5.132 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)n1 8825661 SAXJMJLHWDALNY-AWEZNQCLSA-N 430.526 5.067 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1 8928042 FXMMYXUGKAMLJI-FQEVSTJZSA-N 427.957 5.777 0 40 IKAB O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)c1ccc(Cl)c(Cl)c1 9345825 RINKSWNKUNWUOV-UHFFFAOYSA-N 449.750 5.751 0 40 IKAB COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 9451038 HCCFJINRVKYPDP-NRFANRHFSA-N 440.480 5.161 0 40 IKAB CC(C)(C)C(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 9512845 IHKCHMIOXBODMA-UHFFFAOYSA-N 434.565 5.104 0 40 IKAB Cc1c(C(=O)CN2C(=O)N[C@@](C)(c3cccc4ccccc34)C2=O)sc2ccccc12 9594682 SRQBLKGPUGNEHA-VWLOTQADSA-N 428.513 5.013 0 40 IKAB CCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9606879 CTONNRRITHDPOZ-UHFFFAOYSA-N 434.605 6.923 0 40 IKAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 9614455 DAQAXHHBZPXCQB-DEOSSOPVSA-N 437.326 5.566 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccc(OC(F)(F)F)cc1 9634205 GRHBOAAJSYJXBL-UHFFFAOYSA-N 444.435 5.050 0 40 IKAB O=C(Nc1ccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)cc1)c1cccs1 9671108 GSQKTZNGNVNNDE-UHFFFAOYSA-N 448.544 5.314 0 40 IKAB CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(oc3ccccc32)c1=O 9749450 WRBMARTUVSABJK-UHFFFAOYSA-N 435.549 5.290 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 10039288 MECQQBISKYDMOP-RIYZIHGNSA-N 426.925 5.101 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(OC)cccc2s1 10066697 HRVMCLACAORZLD-UHFFFAOYSA-N 437.609 5.172 0 40 IKAB COc1ccc(CCNC(=S)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 10952097 DINREZBNSFFZHW-IBGZPJMESA-N 447.604 5.058 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OC)cc2OCc2ccccc2Cl)cc1 11865163 YNPCHELDFMDQJU-UHFFFAOYSA-N 435.907 6.567 0 40 IKAB biogenic Cc1noc(CSc2ccc(C(=O)NCC(C)(c3ccccc3)c3ccccc3)cc2)n1 12817039 GDDAOFDNWBJDSN-UHFFFAOYSA-N 443.572 5.406 0 40 IKAB Cc1nc2c3ccccc3nc(SCc3csc(COc4ccc(F)cc4)n3)n2n1 12853571 PPMTVCWYSSENOT-UHFFFAOYSA-N 437.525 5.053 0 40 IKAB S=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13547802 WTDIWLXMFKIUGF-UHFFFAOYSA-N 448.635 6.436 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc2c1 13562017 WUGMEOWQDLVPLS-UHFFFAOYSA-N 427.375 6.140 0 40 IKAB O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)NCCc1ccccc1 13893967 CVCUWWYRXVNNLL-UHFFFAOYSA-N 440.568 5.569 0 40 IKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2c(C)n(C)c3ccccc23)cc1OC 13945663 XGDXSKOQQJAEBZ-MHZLTWQESA-N 444.575 5.501 0 40 IKAB CCc1ccc(NC(=O)Cc2nc(-c3ccc(SC)c(NC(C)=O)c3)cs2)cc1 14103241 WVYOJKUUJQCWJH-UHFFFAOYSA-N 425.579 5.234 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(Cl)c1 14271379 YJBYMIQTPYIBOD-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14400130 VPEKRAUNDVKSJE-IBGZPJMESA-N 428.381 5.209 0 40 IKAB COc1ccc(CCNC(=S)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 15497261 FMQWIULBJITFEA-UHFFFAOYSA-N 433.602 5.425 0 40 IKAB O=C(N[C@H](CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl 15940922 KSKWTBIDBIRVHW-QFBILLFUSA-N 438.877 5.002 0 40 IKAB Cc1cc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c(Cl)cc1Cl 16780731 FKVQBXKXASQIIR-UHFFFAOYSA-N 433.360 5.101 0 40 IKAB Cc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 17095624 GALAVELESONVFE-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB C[C@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 18247284 LDALHFVGDABISL-PNHOKKKMSA-N 443.341 5.032 0 40 IKAB O=C(c1ccc2ccccc2n1)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 19371721 MQXBJQJRMDKEKU-ZEQRLZLVSA-N 425.576 5.142 0 40 IKAB CC(=O)N1Cc2ccccc2OC2(CCC(N(C)C(=O)c3csc(C(C)C)c3)CC2)C1 19452168 MUJNYWKKHOCQPF-UHFFFAOYSA-N 440.609 5.066 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccc4[nH]c(C)nc4c3)c2)cc1 19690553 YJGCRSWLLLESHT-RUZDIDTESA-N 426.520 5.228 0 40 IKAB CC(C)c1ccc(OCc2cc([C@@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)n[nH]2)cc1 19704643 COLKMBOSOLDSKW-LJQANCHMSA-N 446.526 5.362 0 40 IKAB CCOc1cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc(OCC)c1OCC 20143414 QOODGZQYXQYVBI-UHFFFAOYSA-N 439.508 5.196 0 40 IKAB CCOc1ccc(-c2nn(CC(=O)NC3CCCCC3)c3c2cnc2ccc(F)cc23)cc1 20996545 YDYRAESWGYERCP-UHFFFAOYSA-N 446.526 5.238 0 40 IKAB O=C(COc1cc(Cl)ccc1Cl)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 23055214 OHRVSKRCOJBXNZ-QFIPXVFZSA-N 426.303 5.154 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 30847850 CTROHXLNSKIVIL-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 32611706 ANCQDDNLDDPQTB-UHFFFAOYSA-N 427.348 5.779 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 32781529 VDZORJAONYHYQF-RDPSFJRHSA-N 434.586 5.248 0 40 IKAB CC(=O)N1CCC(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)(c2ccccc2)CC1 32827388 WVOHSTAFXUXWCF-UHFFFAOYSA-N 448.950 5.651 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4ccccc4[C@H]3C2)cc1 36352168 GQZDRMWOMQJXQC-VPUSJEBWSA-N 428.532 6.116 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccccc21 41076844 AZZQAVHXUCDGFG-UHFFFAOYSA-N 439.943 5.916 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44886433 OORBTSVQPTVZAK-KRWDZBQOSA-N 435.951 6.275 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)Nc3cc(Cl)ccc3Cl)co2)cc1 48302961 FDRKAVYGNZTKTC-HXUWFJFHSA-N 446.334 5.260 0 40 IKAB Cc1[nH]c(C(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(C)c1C(=O)OC(C)C 58404336 FAMQAMYYYDVZJE-UHFFFAOYSA-N 443.931 5.011 0 40 IKAB Cc1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)c(Br)c1 64471865 TXMDIBOTUOLHMQ-UHFFFAOYSA-N 442.382 5.238 0 40 IKAB COC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1 66354532 SXFFQILYKHDSIZ-HXUWFJFHSA-N 425.322 5.723 0 40 IKAB COc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1F 71327599 PHRQLISVPHNCST-UHFFFAOYSA-N 426.538 5.141 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)nc2ccccc21 72306564 XTFOQEHSGNIJNP-JOCHJYFZSA-N 447.608 5.443 0 40 IKAB O=C(CSc1ncnc2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 89823086 DEIIUDKRQTWSFO-UHFFFAOYSA-N 433.920 5.245 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1Cl 101188926 SPNWCZMXMRSHDU-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCc1cccc(C(F)(F)F)c1 102419177 WURHPOPFIAKUES-QAQJPARQSA-N 431.292 5.873 0 40 IKAB CCN1/C(=C/c2c(/C=C3/Sc4ccccc4N3CC)c(=O)c2=O)Sc2ccccc21 102846986 GCSGCKQJUNHUGG-VOKWCDJLSA-N 432.570 5.144 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3ccc(Cl)cc3)C2=C(O)C1 102927912 XWZIIQCMRFMWSQ-HXUWFJFHSA-N 448.872 6.695 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(F)cc1 107043103 NUTWHEGJORUHAF-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)cc1C 107900085 ARTJTNRQUOGCDQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118934551 ZUYKAEVLUWUNMD-UAJCRSHUSA-N 444.700 6.932 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 210130600 OWMXUKXRPJJEPT-ODLFYWEKSA-N 446.311 6.503 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)F)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 215728442 RUQJZTVQYUEDIN-RGEXLXHISA-N 444.384 5.134 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223125938 BSRJILATWSMBCT-JOCHJYFZSA-N 436.640 5.559 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 223140255 IAFRZXHNRFCOKX-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223809045 JMHFKFYQDMADTN-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl 224030782 RJPDQRFXMFYGNO-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](C)c3ccccc3C)c2)cc1 224063900 UDOHFYGJLDSMSO-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224282605 ZGMIDINUSRXUJX-UHFFFAOYSA-N 431.576 6.794 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 224896804 AJQSDMPIZMUFAF-UHFFFAOYSA-N 430.829 5.228 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225066999 DNHXXHKFDYQRMW-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225369227 GUXVFZFARRMASS-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 225582756 SVSNZPXPYQWIQK-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1Cl 225583569 GZTKCJGKEUZAJI-UHFFFAOYSA-N 428.743 5.732 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225726300 GOKAFHFYFZRIFS-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB COc1cccc2ccc(CN3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)nc12 257203368 APRPCUVCWCSWAU-UHFFFAOYSA-N 441.550 5.748 0 40 IKAB O=C(COc1ccccc1Cl)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257206786 BEWMKRZTNCCNOZ-KRWDZBQOSA-N 445.346 5.357 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257215232 CPFMMKJEOWWFDO-GOSISDBHSA-N 449.457 5.218 0 40 IKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1C 257339193 ZAPHCKBFLHSFBN-UAPYVXQJSA-N 446.576 5.667 0 40 IKAB O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccccc2)N1c1ccc(Cl)cc1 408559183 XUGPBBUKXHHDKH-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3Oc3ccccc3)cc2)cc1 408574739 KUJOXZXEEBWQQA-UHFFFAOYSA-N 425.553 7.332 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c1 408671775 LEITZBYQTUYUDT-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 408693970 GHZCEAQULBDEOO-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1 409023149 PNGVCAFNNPUHPK-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)c1 409207761 ZNAFBONYOZNWPB-UHFFFAOYSA-N 444.940 5.391 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 409358885 HNXJVPLHBLJSTJ-UHFFFAOYSA-N 447.029 5.424 0 40 IKAB CC(=O)N1CCC(N2CCC3(CC2)CO[C@H](c2ccccc2Cl)[C@@H](C(C)C)C3)CC1 1615154442 GMXSADHUJINNCQ-ISKFKSNPSA-N 433.036 5.167 0 40 IKAB O=C(COc1ccccc1)N1CCCCCCCNCc2cc(-c3ccc(F)nc3)ccc21 2037931530 TUSTZZZTNRDCLC-UHFFFAOYSA-N 447.554 5.353 0 40 IKAB COc1ccc2c(c1)N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 822162 LJQSRWHZVBIOKI-UHFFFAOYSA-N 429.588 5.875 0 40 IKAB Cc1sc2ncn3c(SCC(=O)Nc4ccccc4-c4ccccc4)nnc3c2c1C 925324 YIJGSAOWULOHBD-UHFFFAOYSA-N 445.573 5.354 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cccc(Cl)c2)cc1 1434530 QAKOFCDOXFUDPD-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB S=c1oc(-c2ccccc2Br)nn1CNc1ccccc1Br 1435461 UESDYJSDVPXKLZ-UHFFFAOYSA-N 441.148 5.467 0 40 IKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(-c5ccccc5)cc4)c3cc12 2137514 LIJRCIIKNOENQZ-UHFFFAOYSA-N 438.479 6.507 0 40 IKAB biogenic Cc1cccc(NC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc23)c1 2290254 ULDNSESECMHQTG-UHFFFAOYSA-N 425.536 5.618 0 40 IKAB O=C(CNC(=O)c1ccc(Oc2ccccc2)cc1)OCc1ccc(Cl)c(Cl)c1 2630054 LYYCRJUWYOPXKD-UHFFFAOYSA-N 430.287 5.259 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 2636505 WYDWCMDRUZYXHZ-HXUWFJFHSA-N 446.881 6.951 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C 2685420 RRRKYTIHDADDCC-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB O=c1c2ccccc2cnn1-c1nc(-c2ccc(Cl)c(Cl)c2)cc(C(F)(F)F)n1 2745798 DIVUKAFYLPXHNF-UHFFFAOYSA-N 437.208 5.168 0 40 IKAB Cc1ccc(-c2[nH]nc3c2[C@@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746301 XINRXODWZGGTGE-HSZRJFAPSA-N 443.890 5.487 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012850 HKFBHCHIJUOPSX-UKRRQHHQSA-N 445.228 5.696 0 40 IKAB S=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3197207 LHKDFOLCFFXSGI-UHFFFAOYSA-N 447.607 7.199 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)cc1 3405362 ZBINYRHZMLSGMN-UHFFFAOYSA-N 425.897 5.729 0 40 IKAB CCCn1c(S(=O)(=O)Cc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 6181461 PWDKFCRJNSRGKQ-UHFFFAOYSA-N 434.536 5.740 0 40 IKAB COc1cccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC3CCCC3)[nH]2)c1 8595060 BGUILJZDEPOPLZ-UHFFFAOYSA-N 425.529 5.042 0 40 IKAB Cc1c(CC(=O)NCc2ccncc2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 8791732 HYFHMIWUFOLGDV-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 8825843 XAUMGDNUJFGXHX-RBZFPXEDSA-N 433.335 5.371 0 40 IKAB Cc1cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)ccc1Cl 8828285 KNZHGYBNKNVNFQ-LJQANCHMSA-N 445.950 5.598 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)c(OC)c1 9126493 AZLNDVJNHXMIBF-UHFFFAOYSA-N 447.516 5.152 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9158048 OHNMMEZNPWRYIZ-OAQYLSRUSA-N 432.476 5.107 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nncs1)C3=O 9215820 RAACMUREZLCYPU-LJQANCHMSA-N 431.517 5.000 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 9299700 BDXPHUVIJSGJLK-QYQHSDTDSA-N 440.286 5.625 0 40 IKAB Cc1ccc([C@H]2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9452259 ZFMYNFJXYJLGLB-SFHVURJKSA-N 441.270 5.454 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9545791 RIGVNYHOVDVUDJ-DNVCBOLYSA-N 444.988 5.027 0 40 IKAB Cn1c(Cc2cccs2)nnc1Sc1c(-c2ccccc2)c2ccccc2[nH]c1=O 9728395 CCWQJKBYCABIBK-UHFFFAOYSA-N 430.558 5.127 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCC(Cc3ccccc3)CC2)cs1 9782441 VPENXZZGUNATAU-OUKQBFOZSA-N 445.588 5.322 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(OC)c1 10128911 AGBACFIKFBQYQO-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB COc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)c1 12249985 CEIRLZMUADYPLM-UHFFFAOYSA-N 441.512 6.066 0 40 IKAB O=C1/C(=C\Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1c1cccc(Cl)c1 12312291 WEVTVVPFKULTDW-KQWNVCNZSA-N 428.919 5.859 0 40 IKAB Cc1ccnc(SCc2nc3cc(NC(=O)c4ccc(F)c(Cl)c4)ccc3n2C)n1 12321346 ZEVBLXYFIJLWKW-UHFFFAOYSA-N 441.919 5.009 0 40 IKAB Cc1ccc(-c2csc(N(CCCN(C)C)C(=O)COc3ccc(Cl)cc3)n2)cc1 12469048 PFJKBXYFXBPILS-UHFFFAOYSA-N 444.000 5.136 0 40 IKAB Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3cccc(Cl)c3)s2)cc1 12604258 AGOBKFMMJQMSFI-UHFFFAOYSA-N 441.969 5.230 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1 13016487 YXKJLNKQXZUMEJ-UHFFFAOYSA-N 447.560 5.500 0 40 IKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc(N2CCCC2=O)cc1 13112814 RVZXDCNZHGVDEO-UHFFFAOYSA-N 436.515 5.227 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 13146499 URXZDJOKZHZAQS-UHFFFAOYSA-N 444.512 5.266 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccc(F)cc4)cc23)cc1 13564695 VCLZOCLBMXFISH-UHFFFAOYSA-N 438.506 5.118 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CC(=O)Nc1cccc2ccccc12 14197879 YWARSQLMYMQZIQ-FQEVSTJZSA-N 437.543 5.404 0 40 IKAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)o2)cc1 14281992 SGVYYUDMIUDLKQ-HXUWFJFHSA-N 442.563 5.536 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)c1 14831547 MGFVOLPYQUZUJN-UHFFFAOYSA-N 447.988 5.240 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccs2)S1 16754543 ISXHUJBSSGHPKK-LPPZHJILSA-N 431.542 5.443 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccc(C(C)(C)C)cc1 16789085 SLCMCOQPPBAWTC-UHFFFAOYSA-N 436.625 5.808 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)c(Cl)c3)cc2Cl)CC1 17098767 VPLPKXOQBHENQS-UHFFFAOYSA-N 434.367 5.003 0 40 IKAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1 18101934 SDKLWRWAVXGWGH-QKDODKLFSA-N 448.522 5.453 0 40 IKAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c2c1 19632509 MHLLSRPLDTVJDZ-UHFFFAOYSA-N 440.612 6.675 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2sc(C)c(CC)c2C(=O)N2CCCCC2)cc1 19637056 ZQCSVDHBHSXMKS-UHFFFAOYSA-N 442.625 6.066 0 40 IKAB CCc1n[nH]c(SCc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2)n1 20611443 MYWYVEOEXHXTEK-UHFFFAOYSA-N 430.961 5.109 0 40 IKAB CN(Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)Cc1c(F)cccc1Cl 25222343 LRILEEFZXGOBEX-UHFFFAOYSA-N 431.895 5.215 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCC2)oc2ccc(Br)cc12 27992657 PDASQOLIHRNOIQ-INIZCTEOSA-N 433.371 5.132 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 30867843 SCVKVBBQXOVAEY-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Br)cc1 35147899 NKKQTRPWJWMXML-UHFFFAOYSA-N 443.316 5.526 0 40 IKAB COc1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1OC 35644693 DOCQOKGYZRZLQS-LZYBPNLTSA-N 442.846 5.268 0 40 IKAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 40069868 AUVHXDGLEOMMAN-AWEZNQCLSA-N 433.335 5.809 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cl)c(C(F)(F)F)c1 40943655 CRBIQDUYCMQHQV-UHFFFAOYSA-N 443.046 5.792 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccsc3c2=O)c(C)c1 57488619 AIUWXROYKAJACT-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB S=c1oc(-c2ccc(Cl)cc2Cl)nn1CNc1ccccc1Br 59475376 GRNDINGJSUKDHV-UHFFFAOYSA-N 431.142 6.011 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302570 CDYLQCIGJAGOQL-UNMCSNQZSA-N 436.552 5.574 0 40 IKAB in-vitro Cc1ccccc1C(=O)O[C@@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1 100785723 BLEXJRRHKCGDJC-XMMPIXPASA-N 435.863 5.390 0 40 IKAB C[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@H]3CC[C@@H]4[C@H](CN5C[C@@H](C)CC[C@@H]5[C@@]4(C)O)[C@@H]3C[C@H]12 101084934 YSOKTNCRCPDOCA-IKBKPTEGSA-N 427.673 5.162 0 40 IKAB CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 102747525 LCHKXPXWDLBGEY-RMUDUWAUSA-N 445.902 5.261 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccccc1Cl 214078459 TYSYWNUFASWOHY-HYARGMPZSA-N 435.932 6.156 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223390979 TUFURPPUYJPGMS-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(Cl)cc1 224158646 YQMGXMKOEBQRPA-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)c(C)c1 224290813 IKIZPZQDPMYBQY-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224363302 NJLWZYPBNKNMNS-LOSJGSFVSA-N 442.588 5.825 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)SCc2ccccc2)cc1 224537133 SOQICVFSBQMVEF-SFHVURJKSA-N 440.590 5.056 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224629690 LCKDVYHYJWYJFD-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225224203 RXGRLUQSZIBMCM-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB S=C(NCCCc1cccc2ccccc12)Nc1ccc(CSc2ccccc2)cc1 225808642 QHLYBYFTECQCGZ-UHFFFAOYSA-N 442.653 7.051 0 40 IKAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OC(C)C)c4ccccc34)CO2)cc1 225916855 XRJVDJXPYWRWBX-UHFFFAOYSA-N 435.520 5.326 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ncccc3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 257249253 JHMKIXYFWDRUCF-OAQYLSRUSA-N 448.994 5.418 0 40 IKAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2Cl)CC1 408573119 MBLPFFNXHOVOFG-JLHYYAGUSA-N 435.955 5.394 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408576178 SQGHDUNTPVCHIR-CCLHPLFOSA-N 444.600 5.212 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 408628335 XAJKINMLLAPPTQ-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408694582 KPMKVLWJALTXPV-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1ccccc1Cl 408925097 JGHAOBVNZYTLHP-UHFFFAOYSA-N 428.022 6.813 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 409192737 AFDLUUKKBWQMFU-RFBIWTDZSA-N 448.975 6.132 0 40 IKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)ccc1Cl 585148051 MXYUGGWMDLAUSZ-ZDUSSCGKSA-N 442.787 5.356 0 40 IKAB CC(C)N1CC[C@@H](c2n[nH]cc2-c2ccnc(NCc3cn(C(C)C)c4ccccc34)c2)C1 607854196 BBCHIWIRKKTNAU-OAQYLSRUSA-N 442.611 5.817 0 40 IKAB O=C1NCCCOc2ccccc2CCCCCC12CCN(Cc1ccccc1F)CC2 643566422 RXPFONHPVVMYEA-UHFFFAOYSA-N 438.587 5.110 0 40 IKAB O=C(c1ccccc1)[C@H](Cn1cncn1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 630040 PLEIRHUGPRYAFK-UPVQGACJSA-N 433.964 5.964 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F 800162 BZWGVWOELUPGQD-QGZVFWFLSA-N 444.906 5.093 0 40 IKAB CCOC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2cc(C)ccc2C)c1C 863369 CBBBJPUYQZRWLZ-UHFFFAOYSA-N 442.581 5.621 0 40 IKAB Cc1noc(C)c1C(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 1353810 DULLTSNNUOMFDE-DEOSSOPVSA-N 449.526 5.268 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C 1371063 LRGDMQYYUSLPML-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2532760 UDJYNIWFQQNJOP-UHFFFAOYSA-N 449.517 6.433 0 40 IKAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1ccc(SC(F)F)cc1 2664552 UOZNJJKQFSXHGG-UHFFFAOYSA-N 430.263 5.269 0 40 IKAB COc1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)c(OC)c1 2699474 QIVAODUTWSTXFF-UHFFFAOYSA-N 431.517 5.045 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 3289753 ZPQKLYOBWSSOGQ-UPVQGACJSA-N 449.934 5.262 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)s2)cc1 3328291 RLSKIOUVYBSVED-UHFFFAOYSA-N 430.942 5.198 0 40 IKAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl 3348071 CRFNZLNBQQWNII-UHFFFAOYSA-N 425.699 5.243 0 40 IKAB CCCC[C@H](CC)C(=O)O[C@H](C)C(=O)N(C[C@H](CC)CCCC)C[C@H](CC)CCCC 4428354 IMSODBOSRXBZSK-VPBXCIAMSA-N 439.725 7.396 0 40 IKAB Cc1ccc(NCCN2C(=O)c3cccc4c(N5CCCCC5)ccc(c34)C2=O)c(C)c1 6331124 BTGRHUCKLGCTMY-UHFFFAOYSA-N 427.548 5.155 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 8606587 QBNWDDQITPJKSE-IBGZPJMESA-N 429.495 5.143 0 40 IKAB COc1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8682633 MUPBTELOTRVYLW-JOCHJYFZSA-N 446.466 5.832 0 40 IKAB aggregator CC(C)c1ccc(Cn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756132 WTEYVTFBXMKQHH-NRFANRHFSA-N 427.523 5.868 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756178 BTEZETIOJDHXQO-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(Cc1cccnc1)C3=O 8846005 BJMYMQIGPPBTKL-NRFANRHFSA-N 434.854 5.034 0 40 IKAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1Oc1ccccc1 9119515 VJSSOPMSMHFOKP-UHFFFAOYSA-N 428.444 5.342 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3ccc(Br)o3)ccc2Oc2ccccc21 9134670 YXOVKZQPMCQANJ-UHFFFAOYSA-N 427.254 5.067 0 40 IKAB CCCC[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 9369615 PTXCWZMHSFJQOQ-VWLOTQADSA-N 448.607 6.061 0 40 IKAB Cc1ccc([C@@H](O)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 9375499 YWKQZWIISXPLLT-QYBKHSQCSA-N 443.568 6.133 0 40 IKAB Cc1ccccc1CSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1 9382824 RYGXHQSZTSFVJA-UHFFFAOYSA-N 444.585 5.293 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2cccs2)n(CCCOC(C)C)c1C 9421188 YFSFTIPKHLAVDU-UHFFFAOYSA-N 436.581 5.777 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 9457065 SDEAXBDLFYOJET-ACJLOTCBSA-N 448.589 5.029 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 9501239 QZVLTMRQRNVSHN-CPJSRVTESA-N 448.906 5.710 0 40 IKAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c2cnn(C(C)C)c2n1 9516253 BKBBIOXBTQDBTE-QGZVFWFLSA-N 447.608 5.765 0 40 IKAB CC(C)Cn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 9566761 PLPGVQSZOZOMHR-NXTQRVMMSA-N 442.629 5.007 0 40 IKAB O=C(CCC(=O)c1cccs1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9669962 ZCUSKXPHUGQLNX-UHFFFAOYSA-N 446.450 5.621 0 40 IKAB CCCCCc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3cc2oc1=O 11691923 HRWAVFHFUZITNQ-UHFFFAOYSA-N 425.322 7.010 0 40 IKAB COc1ccc(-c2coc3cc(OCc4ccc(Br)cc4)ccc3c2=O)cc1 11865227 IMBOXUGGPRRDNG-UHFFFAOYSA-N 437.289 5.810 0 40 IKAB biogenic Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c(Cl)c1 12276067 MABCNGAYVJTSEX-UNMCSNQZSA-N 429.734 6.889 0 40 IKAB COc1ccc(NC(=O)[C@@H](Oc2ccc(Cl)cc2Br)c2ccccc2)cc1 12603207 VESGORDZBBIAQP-FQEVSTJZSA-N 446.728 5.870 0 40 IKAB CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 12700780 CMIRQBQWGOZGRF-UHFFFAOYSA-N 426.482 5.385 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1 12843078 XOUPVGRYRAQXLP-UHFFFAOYSA-N 444.984 6.123 0 40 IKAB COCc1c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)sc2cccc(F)c12 13006072 BSTSKOUFWZNGHZ-CQSZACIVSA-N 440.565 5.816 0 40 IKAB O=C(c1cc2sccc2n1Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 13083053 HFSJTQAFZZAFQC-UHFFFAOYSA-N 435.980 5.367 0 40 IKAB Cc1cc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c(C)o1 13117234 NTAVMUAUIYEDSP-JTQLQIEISA-N 428.539 5.475 0 40 IKAB O=C(Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1cc(Cl)ccc1Cl 13148158 HVSZVNCKQKXBPQ-UHFFFAOYSA-N 447.774 6.977 0 40 IKAB Cc1sc2ncnc(Sc3nnc(-c4sc5ccccc5c4Cl)o3)c2c1C 13148447 CTIDQAFDUQSHDZ-UHFFFAOYSA-N 430.967 6.377 0 40 IKAB Oc1ccc(Br)cc1-c1nc(-c2cccc(Cl)c2)c(-c2ccccc2)[nH]1 13533712 FJXZYDJIEIZRSD-UHFFFAOYSA-N 425.713 6.532 0 40 IKAB COc1ccc(-c2c(NC(=O)Cc3cccs3)oc3ccc(Cl)cc3c2=O)cc1 13556726 MXSUOYQWLJAABT-UHFFFAOYSA-N 425.893 5.365 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)c2cccs2)cc1 13723930 JJDJXIHMWUJKCX-UHFFFAOYSA-N 430.595 5.216 0 40 IKAB CCN(CC)CCCNCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 13734444 KDALPESUEQIIEZ-UHFFFAOYSA-N 425.400 5.403 0 40 IKAB CSc1nc(NC[C@H]2CCCO2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13758620 MMXLDPNMTLFSSE-OAHLLOKOSA-N 448.617 5.708 0 40 IKAB Brc1ccc(OCc2ccccc2)c(CNCc2ccc3c(c2)OCO3)c1 16480567 WHTOTGXOSBOZGX-UHFFFAOYSA-N 426.310 5.047 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cc2)c1Cl 17101557 LAALBEHQAPYUAT-UHFFFAOYSA-N 437.548 6.044 0 40 IKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@@H]2C(=O)O 17102700 NGZQPIDJKGPPTM-XWDORNJCSA-N 438.593 5.739 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3O)nc2c1 19643682 FYFWLXYBWNWFQD-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB O=C(CSc1nc(-c2cccc(Cl)c2)[nH]c1-c1ccccc1)Nc1nccs1 20182356 KWNDAROARUZOKV-UHFFFAOYSA-N 426.954 5.584 0 40 IKAB O=C(OC1CCCCC1)c1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 20412283 ZPLHBYFBAQORLZ-UHFFFAOYSA-N 432.545 5.456 0 40 IKAB CCN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1ccc(Br)s1 20814821 BMZSQGCLNBVJJK-UHFFFAOYSA-N 429.383 5.638 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1sc2ccccc2c1Cl 21580525 LRRJTAOSGPFPJC-UHFFFAOYSA-N 433.920 6.359 0 40 IKAB CC(C)(C)NC(=O)CC1(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)CCCC1 24441309 SDGBPLVTQRDYJI-QFIPXVFZSA-N 445.607 5.281 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1C 35126488 NZRSVVHKSAQSBO-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cn1cc(/C=C2\S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)c2ccccc21 35646889 NIXAJSMBDLWKEZ-IUXPMGMMSA-N 435.858 5.742 0 40 IKAB CCN1C(=O)c2cc(NC(=O)Nc3ccc(OC)c(OC)c3)ccc2Oc2ccccc21 36705407 FEAWIHJFYBUXIO-UHFFFAOYSA-N 433.464 5.120 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834703 BDQNHVRDWUVXHN-CYBMUJFWSA-N 431.285 5.863 0 40 IKAB COc1ccc(CNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 39844516 VTRYSFBKQBQKDE-UHFFFAOYSA-N 434.517 5.104 0 40 IKAB Fc1ccc(-n2nc(CSc3nncn3-c3cccc(Cl)c3)c3c2CCC3)cc1 48355154 ABRZSSLIGHIWQH-UHFFFAOYSA-N 425.920 5.027 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 56945928 IBHNRMGFNJCYDI-XMMPIXPASA-N 449.570 5.010 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OCc1ccccc1 59503061 IGVDYTQFRGNWQO-KQWNVCNZSA-N 441.527 5.916 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1 67190098 JHJMANDVJLURQL-LVWGJNHUSA-N 434.293 5.383 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1CCc1ccccc1 67259318 CNTCCXHYXNXCIA-UHFFFAOYSA-N 440.490 5.950 0 40 IKAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Br)cc4F)ncnc3c2c1 72331959 QMZIFMYTZXEUQT-UHFFFAOYSA-N 445.317 5.052 0 40 IKAB COc1cc2c(cc1CCC(=O)N1CCC[C@@H]1c1cccc(Nc3nccs3)n1)CCC2 72375499 DVANTAZMUDCACV-OAQYLSRUSA-N 448.592 5.075 0 40 IKAB CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 96053471 IDXGAJRDHXWCIQ-FQEVSTJZSA-N 426.626 5.216 0 40 IKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(Oc2ccccc2)c1 102522067 USAUPWUYKBQSBO-DEOSSOPVSA-N 431.532 6.486 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccccc4)C3=C(O)C2)cc1 104161923 OZGPFWHAIRPXKW-KMRXNPHXSA-N 438.527 6.265 0 40 IKAB COC(=O)c1cn(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c2ccccc12 222569974 WMEGXZKRWBDFPP-UHFFFAOYSA-N 435.932 6.062 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222942879 OLCNVXUWGGUAAR-SANMLTNESA-N 430.592 5.147 0 40 IKAB Cc1cc(C(=O)Nc2cccc3ccccc23)ccc1N(C)S(=O)(=O)c1ccccc1 224189482 NYNPDCTZKYNNJB-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1cccc2ccccc12 224633847 MGAOKAWKQJMLCC-UHFFFAOYSA-N 425.528 6.090 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc2ccccc2c1 224643266 ACFGRWNHUZHYTB-UHFFFAOYSA-N 441.527 6.387 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 224748779 PXDWRDQOAXRHJG-NRFANRHFSA-N 444.641 5.161 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)c(Cl)c3)o2)cc1 224919009 VPCCDSXSDJSNIU-UHFFFAOYSA-N 436.870 6.452 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225269266 YMVLRJIXPVUOPF-UHFFFAOYSA-N 437.930 6.403 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225307085 UBJXIYQAXYMKPH-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225492070 BUWQNACTJVZIAX-KKSFZXQISA-N 435.395 5.258 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC(C)CC1 225670316 DCHNOMZEBUYNOK-UHFFFAOYSA-N 425.997 5.848 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 225671617 PIDBAJVSNHBWRN-IBGZPJMESA-N 447.044 5.153 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)/C=C/[C@@H](C)C(C)C)C1 256445864 NGEVNHYPVVOXPB-FNDVFVLASA-N 438.696 7.902 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[nH]n1 257244496 ILPCMUVSMYDJCX-KRWDZBQOSA-N 426.948 5.004 0 40 IKAB C[C@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(C(F)(F)F)cc2)C1 257258192 KSSXVCQWAFEGTD-SVFBPWRDSA-N 441.877 5.209 0 40 IKAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)C1 260707836 CEIBZGAVRNQCMG-OALUTQOASA-N 447.608 5.553 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1OC 408553544 ALOMSFIHHSIEJW-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408588144 CQGDIYFJKYHHST-UHFFFAOYSA-N 439.537 5.057 0 40 IKAB Cc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1NC(=O)c1ccc(Cl)cc1 408608853 QAHZDMMRULOZLI-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCCCCOC(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408641440 LLMZBKRSHWSDSZ-NRFANRHFSA-N 444.531 5.178 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408642301 NYTWOOFRROYVEK-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 408694860 MVCPCWKZWWRACL-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccccc4)c(-c4ccccc4)c3n2)cc1 408928128 ZVMSPULPUWJRCS-UHFFFAOYSA-N 429.445 7.058 0 40 IKAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2c(C)cc(C)cc2C)=N1 408987192 DZWZUXCGNBZPSQ-HXUWFJFHSA-N 448.419 5.612 0 40 IKAB Cc1ccc(COc2ccc(CNc3cc(Cl)ccc3C)cc2Br)cc1 409114551 IGOUQYMDWNMXNA-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)c1 409381847 OGMHHAWMBKBREH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2C)c1 409412507 QQWYYLMSDZPRTG-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB CC(C)[C@@H]1C[C@@](CCNCc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524734585 SKECJCACEUTHME-GPOLMCQNSA-N 432.023 6.756 0 40 IKAB CSc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 866522 ZSMHPDNWGIDING-XJKSGUPXSA-N 438.500 5.579 0 40 IKAB COc1ccc2nc(N3C(=O)c4c(Cl)c(Cl)c(Cl)c(Cl)c4C3=O)sc2c1 984149 PSZNRQSXFAYVHJ-UHFFFAOYSA-N 448.114 5.719 0 40 IKAB O=C1[C@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 1064740 XVHKLEXJOAPXKI-ZBFHGGJFSA-N 428.888 5.107 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)cc1Cl 1101460 RQBZNJVBBRCIAH-INIZCTEOSA-N 443.819 5.556 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)cc2c1 1327215 XOSPXVOKAXQGHX-UHFFFAOYSA-N 446.938 5.373 0 40 IKAB COc1ccc(CCN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CCC2)cc1 1339480 MQRDYHSEVHFISO-UHFFFAOYSA-N 436.983 5.885 0 40 IKAB COc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)c(OC)c1 1376435 PDERNNSNXXCBLJ-UHFFFAOYSA-N 437.565 5.426 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381861 DQSCBIIZKWQUIA-OAHLLOKOSA-N 425.315 5.576 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1F 1382727 RTPHTRMDGYAODS-JOCHJYFZSA-N 440.902 5.519 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3n2)cc1 1437135 AVDAUTLRFLRKRC-UHFFFAOYSA-N 444.844 5.307 0 40 IKAB CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 2273348 ZNIFAUWONSYYQK-HFZDXXHNSA-N 426.560 6.390 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2Cc2ccco2)c1 2451721 ZKGIRRZTCLWDHG-UHFFFAOYSA-N 446.576 5.749 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1Nc1nc2ccccc2nc1Cl 2634427 GPHSPWPLLZIYBQ-UHFFFAOYSA-N 444.343 6.585 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccs1 2725840 YDBGRBPWSAWHOD-IBGZPJMESA-N 438.553 5.638 0 40 IKAB CCCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2730249 BMXDSXRHZLKCST-CQSZACIVSA-N 448.419 6.359 0 40 IKAB CCC12C[C@@H]3C[C@H](C1)CC(P(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)(C3)C2 3163578 FUEYLKINWIXRMF-ADXLDGDMSA-N 434.520 7.682 0 40 IKAB COc1ccc(-c2nc(NC(=O)CSc3nc4ccccc4s3)sc2C)cc1 3218158 PUHYJRPTCLGHTO-UHFFFAOYSA-N 427.576 5.468 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(OC)cc1 3323434 FJLBJAJIVWWBIJ-UHFFFAOYSA-N 444.560 5.371 0 40 IKAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3323721 OZDODFNOFOLCTN-NSHDSACASA-N 426.851 5.059 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)NCCC(c1ccccc1)c1ccccc1 3344609 GXFREIMBQHBCPX-UHFFFAOYSA-N 429.545 5.167 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c1C 3370309 PFBPUNUMIDMHNX-UHFFFAOYSA-N 437.999 5.439 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)n2N)cc1 3440512 WFDMUUIVCUXOSZ-JOCHJYFZSA-N 443.576 5.056 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 4045917 FCHPWMAMKLOPSZ-UHFFFAOYSA-N 429.951 6.654 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)cc2c1 6197680 DCTYMGKOXLQYLW-IBGZPJMESA-N 447.648 5.861 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 8426700 XIOMSBOFYKNISP-RBBKRZOGSA-N 439.740 6.345 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 8718796 HNFZRTREBFKYPM-LJQANCHMSA-N 427.570 5.057 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 8828200 NBUUMQWGGAJHQQ-SFHVURJKSA-N 431.923 5.267 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1Cl 8871259 SJOKQTHOJKOQMB-LJQANCHMSA-N 445.950 5.679 0 40 IKAB COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)/C(C)=C/c2ccccc2)cc1 9130075 FZPPXGJENXSFJQ-KLIIMXHUSA-N 426.516 5.221 0 40 IKAB CN(C)c1ccc(C2c3c(c4ccccc4oc3=O)Oc3c2c(=O)oc2ccccc32)cc1 9311150 OEUQVYWIGRFTEZ-UHFFFAOYSA-N 437.451 5.251 0 40 IKAB COc1ccc(CSc2nc(-n3nc(C)cc3C)nc3sc4c(c23)CCCC4)cc1 9345149 ZVHNSWRLYFZZLB-UHFFFAOYSA-N 436.606 5.674 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 9354556 XORIRLKWZBYXRB-UHFFFAOYSA-N 432.548 7.396 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 9562228 QZZNVAKDIZHTPN-KKSFZXQISA-N 431.565 5.548 0 40 IKAB CCCN(C(=O)c1ccccc1OCC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9606886 MTXFBPMSNUIKNY-UHFFFAOYSA-N 448.632 7.313 0 40 IKAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccccc1Oc1ccccc1 9785352 YRPFLHZMIFKWQN-UHFFFAOYSA-N 436.537 5.181 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ccc2c(c1)OCCCO2 9959655 VHOHXPWUCSVCHT-UHFFFAOYSA-N 449.557 5.250 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 10212489 JPWLPTCYWZKJLA-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12192250 WUEJOYYEXYZXNN-PXJZQJOASA-N 440.587 7.196 0 40 IKAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 12541012 ZZPFNMRNVNVKON-UYTITELCSA-N 444.531 5.125 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(-c2ccco2)nn1-c1ccccc1 12603480 KYCJZJCJUDHSSQ-UHFFFAOYSA-N 447.445 5.149 0 40 IKAB CN(Cc1nc2ccccc2s1)Cn1nc(-c2ccccc2Br)[nH]c1=S 12909595 QKOLAOVRKPMHHI-UHFFFAOYSA-N 446.399 5.069 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)Cc1cccs1 13497655 FZFFPOHEVJJVFT-HSZRJFAPSA-N 438.618 5.181 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583518 NYCWBAIFOPVLTE-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3cccc(C)c3C)cc2c1 13659787 PUTUQARFBWGXKY-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1cccs1 14240707 IZEJJJFRZBXQRS-FQEVSTJZSA-N 436.577 5.034 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1Cl 14271963 ZOSIXKHXGPZBQM-UHFFFAOYSA-N 448.693 6.111 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 14706818 DJDSEVLSAYVVJO-OAHLLOKOSA-N 446.425 5.172 0 40 IKAB CCc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2[C@H](C)COC)cc1 15913715 ZGSGZYHQNBCHDI-AKURBMMKSA-N 434.577 6.534 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4)cc3n2)cc1 16193185 VEXASADUSPLQOJ-UHFFFAOYSA-N 434.927 5.434 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C(C(=O)Nc1cccc(Cl)c1C)c1ccccc1 16249998 YZNMMLGNMRMIID-UHFFFAOYSA-N 427.331 5.971 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc5ccccc5c4)c3)oc2c1 17101489 MMPQELCBWAIKSW-UHFFFAOYSA-N 437.524 6.083 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 20029822 SKELBEMOGKSOHV-UHFFFAOYSA-N 433.757 5.187 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20104383 OQZNFIGIQNMYTE-UHFFFAOYSA-N 445.628 6.704 0 40 IKAB COc1cc(C(C)=O)ccc1Oc1nc(CN2CCCCC2)nc2sc(C)c(C)c12 21324151 HCCNCMJMCSANNS-UHFFFAOYSA-N 425.554 5.298 0 40 IKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 21595877 MGERVHPYUPNQQR-UHFFFAOYSA-N 443.547 6.292 0 40 IKAB O=C(Cn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21)N1CCCC1 27697723 HXDUAXKDOXWQAK-VWLOTQADSA-N 427.573 5.540 0 40 IKAB CCOC(=O)C1CCN(C(=O)c2oc3ccccc3c2CSC2CCCCC2)CC1 28200868 FFGORWRAXJZTBM-UHFFFAOYSA-N 429.582 5.414 0 40 IKAB O=C(Nc1cc(-c2ccc(Br)cc2)no1)C1=C(c2ccccc2)SCCO1 32106120 OKLHYZKURDUXHW-UHFFFAOYSA-N 443.322 5.175 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(Cl)c1 32116611 PSJYAPUDDNJXAE-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCCOc1c(Br)cc(CNc2cccc(Cl)c2)cc1Br 34879747 WAXIAAGEVRNEJE-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35270335 BENKGOOYDVLJOX-OAHLLOKOSA-N 448.906 5.570 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 35292050 UGJMTWWLPQSGIY-UHFFFAOYSA-N 445.544 5.338 0 40 IKAB CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 35350645 VFXUNXVHKCKVQJ-KKUQBAQOSA-N 443.628 5.938 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 44905846 PRDRFCYUKVZESM-GOSISDBHSA-N 429.402 5.155 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(Cl)c1 57487944 ADUDKNVSDKTJCL-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=c1c(Cl)c(N[C@H]2CCc3c(Cl)cccc32)cnn1-c1ccc(C(F)(F)F)cn1 58413011 YEVYRCLBNLZYMG-AWEZNQCLSA-N 441.240 5.053 0 40 IKAB COc1ccc(Cc2ccc(F)cc2)cc1C(=O)NCc1ccc(Br)cc1 66088576 QRMBHCSTOSCUCC-UHFFFAOYSA-N 428.301 5.118 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CCCCC3)CC2)c1 72345311 ZHTGIEXBBJQLCC-UHFFFAOYSA-N 446.635 5.482 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349840 UOCAFAVLIFSJHH-INIZCTEOSA-N 431.483 5.552 0 40 IKAB COc1ccc(/C=C/C(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)cc1OC 90607078 LOHFCWFUFFRFOE-ZRDIBKRKSA-N 437.565 5.074 0 40 IKAB O=C1O/C(=C\Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc21 100408518 SJAJUAVIPFHTJS-WQRHYEAKSA-N 432.785 6.127 0 40 IKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@H](c3cccc(Cl)c3)C2=C(O)C1 102664228 CIGNDKGUGDYVTN-HXUWFJFHSA-N 436.968 6.546 0 40 IKAB CCCCCC[C@@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 106937322 ADHFDROAWBZRKA-FYYLOGMGSA-N 427.386 6.679 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1Cl 108189785 GSCRACUQCKVNOR-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1cc(C(=O)O)ccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144226528 RAGMKXDBLHLXEG-BKUYFWCQSA-N 432.501 5.342 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CC(=O)O)[C@H]3CC[C@@]21C 199603895 YNWNOKZYGHTMTJ-ROUDTPAMSA-N 430.673 6.844 0 40 IKAB in-vitro CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223043242 ZTCUFAXYCNFXRX-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1C(C)C 223274036 XJPFWLANZAHNAT-OAQYLSRUSA-N 447.644 7.219 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223361122 BOPFOHRSDWPLEC-HXUWFJFHSA-N 433.017 5.154 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 223552131 GWNJLCIYBCKSNJ-GOTSBHOMSA-N 446.963 5.563 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223807839 XAFAILLKOVHPTE-NRFANRHFSA-N 438.637 5.013 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224028563 OIATVGQKPQNCOY-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224314838 COECUMIGFONYQW-DQEYMECFSA-N 425.557 6.136 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224349934 AKUSUPVWPXELDP-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224650106 RQXDSWUJYSCBHQ-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225054465 QJSBFNJCHUYQOV-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225302088 QUVPCCZCRLPKMS-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225501133 GZFXTJDXLKYHFL-OAQYLSRUSA-N 425.598 5.204 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225601983 JGOKTBXISNUNEY-UHFFFAOYSA-N 427.639 5.040 0 40 IKAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972174 KUOADMQXQLAAOH-KDURUIRLSA-N 437.657 5.066 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1COc1ccc(F)c(Cl)c1 257201542 AIAUEGCYQRSQGJ-FQEVSTJZSA-N 445.853 5.027 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cnccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257328382 XFJLEEDOAKWZBA-NRFANRHFSA-N 446.566 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2c(Cl)cccc2Cl)cc1 408579201 DPZHCSYOLAEODJ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccccc2OCC(C)C)C1=O 408599784 KREOQYZOOQVADZ-UDWIEESQSA-N 438.549 5.013 0 40 IKAB CCCc1nc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(C)cc(C)cc23)C(=O)O)n[nH]1 408631444 JEKNYMLOKRECHD-UYRXBGFRSA-N 432.549 5.740 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1C 408642209 MDICWFBUQYMXQQ-SFHVURJKSA-N 434.923 5.741 0 40 IKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408701301 VUMYVJINHIWOGF-UHFFFAOYSA-N 431.941 6.065 0 40 IKAB S=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCCC1 408735670 UYMZTWQNGUOPBO-UHFFFAOYSA-N 439.584 6.504 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nn3c(CCC(=O)O)ccc3-c3ccccc3)sc2c1 408968948 DIXLRFGWXHDMFP-UHFFFAOYSA-N 438.936 5.733 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409132462 ZWSHZEGDCMAQOE-JMMZKRSASA-N 425.550 5.542 0 40 IKAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3 707078 NEXYBLQQFDKIPC-CYBMUJFWSA-N 437.590 5.469 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)c(=O)[nH]c2c1C 933938 CTTNFYIERJMYNO-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Br)o1 1284922 OEAXTSSMHCTMDU-UHFFFAOYSA-N 428.105 5.180 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1ccc(Cl)cc1 1338732 DCXLZZNWPAOOOY-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385970 URZIHVLAMZXZNH-HNNXBMFYSA-N 442.412 5.427 0 40 IKAB CCOc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 1448761 JWLKURGCMIHCEW-JOCHJYFZSA-N 440.565 5.031 0 40 IKAB O=C(NCc1cccs1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 1516059 HIMRZICMOZLUDD-UHFFFAOYSA-N 442.875 5.122 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1787531 ODEKBTVVTZFFPT-CQSZACIVSA-N 444.000 5.210 0 40 IKAB Cc1cc(C)cc(NC(=O)C(Nc2cc(C)cc(C)c2)(c2ccccc2)c2ccccc2)c1 2105523 PQUPYMKATHAUEQ-UHFFFAOYSA-N 434.583 6.915 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2236747 VZTNVJFZJGXJGV-JOCHJYFZSA-N 431.875 5.206 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCCc2ccccc21 2658499 CYLJMTIHOGVOLE-QFIPXVFZSA-N 444.884 6.491 0 40 IKAB CCc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 2799052 HUWCRRSTNBIRDM-AWEZNQCLSA-N 431.483 5.844 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1ccc(SC(F)F)cc1 3245713 FHNBFANRMDOHIK-UHFFFAOYSA-N 442.487 5.224 0 40 IKAB O=C(OCCOc1ccc(Br)cc1)c1c2c(nc3ccccc13)CCCCC2 3309429 DOTMKBUYMYAYED-UHFFFAOYSA-N 440.337 5.502 0 40 IKAB O=c1c2c3c(sc2nc(SCc2nc4ccccc4s2)n1-c1ccccc1)CCC3 3320061 KEAJJIANVUFJSA-UHFFFAOYSA-N 447.610 5.838 0 40 IKAB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1 6226050 LEQKFIOSBHONRV-UHFFFAOYSA-N 426.630 5.551 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(S[C@H](C)C(=O)Nc3ccccc3)c2c1 6631085 GSCRNEQNRBWBCC-QGZVFWFLSA-N 429.545 5.815 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Br)C(=O)O2)c1 8431926 OWOPXWVYODPYRO-STZFKDTASA-N 448.316 5.681 0 40 IKAB CCN(CC)c1ccc2nc(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(O)c2c1 8575156 VUADNNJAUSEYQD-UHFFFAOYSA-N 439.603 6.297 0 40 IKAB O[C@]1(C(F)(F)F)CC(c2cccs2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8752160 QGEUNSLTLVSASJ-INIZCTEOSA-N 429.876 5.390 0 40 IKAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 8753109 MXXHQUUHUXFGDX-FQEVSTJZSA-N 427.573 5.521 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c(C)c1 8753223 DPUIWFYALSEHFM-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc2ccccc2c1 8831805 CYLXMDABXIECCW-UHFFFAOYSA-N 440.524 6.143 0 40 IKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 8965132 KSLHLUHAJZHYNJ-UHFFFAOYSA-N 442.490 6.722 0 40 IKAB Cc1ccccc1-c1nnc(S[C@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)o1 8965861 WBTVJWDNTWZFLQ-SFHVURJKSA-N 441.940 5.012 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 9187135 PTPXXUHNCFGENA-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB Brc1ccc(-c2cn3c4ccccc4nc3n2CCCN2CCCCC2)cc1 9270356 CLGVXKWKXLRDNB-UHFFFAOYSA-N 437.385 5.595 0 40 IKAB Nc1c(C(=O)Nc2ccccc2F)c2ccccn2c1C(=O)c1ccc2c(c1)CCCC2 9316998 MSXNYKVAFYEKCO-UHFFFAOYSA-N 427.479 5.023 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9508396 PXJKNSWYXOPTDC-HSZRJFAPSA-N 428.561 5.665 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br 9590834 SBGXBLYDTBIBGK-NZQKXSOJSA-N 435.321 5.700 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3ccc(NC(=O)c4ccccc4Cl)cc32)cc1 9738500 SHCSZMCDCREAHZ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)c3nnc(-c4cccs4)o3)nnc2N2CCCC2)cc1 9864533 UNJSVCJFJWOKLP-OAHLLOKOSA-N 438.582 5.141 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 10372198 HSYYOEXPSMRQKA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 12226008 WUGWYUZFLXQDEU-UHFFFAOYSA-N 441.919 5.622 0 40 IKAB O=C(Nc1ccccc1C(=O)N(CCc1ccccc1)Cc1cccs1)c1ccco1 12593949 RCUSLXOKXBKCEU-UHFFFAOYSA-N 430.529 5.479 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCC[C@@H]1c1nc2ccccc2s1 12691319 VWZRIVPDTIGDCO-QGZVFWFLSA-N 428.941 5.478 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2N2CCCCC2)cc1OC 13015207 MSLDJBHYTNDKKT-UHFFFAOYSA-N 433.346 5.099 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccc(Cl)cc3)nc2c1 13018113 AJJXMDLXLCWRFJ-UHFFFAOYSA-N 434.948 6.295 0 40 IKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13025794 TUESLIFBBYTIFZ-VWLOTQADSA-N 448.538 5.989 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N[C@@H](c1ccccc1)c1cccs1 13121503 KFIKBTHIIJOROU-QFIPXVFZSA-N 446.601 5.204 0 40 IKAB COc1ccc(CN(Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)C2CC2)cc1 13164557 MMQZWFQNZCLAAM-UHFFFAOYSA-N 445.588 5.442 0 40 IKAB COc1ccc(OC)c([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 13518301 WMPFMYFLWNBVST-NRFANRHFSA-N 425.488 5.031 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3cccs3)on1)CC2 14184942 PDEGQXCHTCVOJV-HSZRJFAPSA-N 438.574 5.630 0 40 IKAB O=C(O)[C@@H]1C[C@H](Cc2ccc(F)cc2)CN1C(=O)OCC1c2ccccc2-c2ccccc21 14632663 VEXHSSPGYVPINR-BVZFJXPGSA-N 445.490 5.092 0 40 IKAB COc1ccc(CCNCc2c(OCc3ccc(F)cc3)ccc3ccccc23)cc1OC 16227372 MYORPXFGLIRZMM-UHFFFAOYSA-N 445.534 5.907 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)cc2)cc1 17096099 SMFVERULOOBXSE-BGYRXZFFSA-N 428.576 7.218 0 40 IKAB Cc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 19860426 YUKGQHCYKPKHPV-UHFFFAOYSA-N 439.298 6.553 0 40 IKAB COc1ccccc1OCCn1c(=N)n(Cc2ccc(C(C)(C)C)cc2)c2ccccc21 19900352 JEVKRKKQUSRRRN-UHFFFAOYSA-N 429.564 5.356 0 40 IKAB Cc1cc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)ccc1-c1ccc(CO)o1 20153756 LZVMTDFLRGNKJQ-UHFFFAOYSA-N 446.981 5.006 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 20486143 GPSKZHNXMHMBEY-UHFFFAOYSA-N 441.756 5.918 0 40 IKAB CCCN1CCC(NC[C@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 23907692 DAVPHXFNNZNKLC-HSZRJFAPSA-N 435.612 5.171 0 40 IKAB Cc1ccc(Sc2ncccc2C(=O)N(C)CC(=O)Nc2c(C)cc(C)cc2C)c(C)c1 25316095 BHOUYARQXUIFSB-UHFFFAOYSA-N 447.604 5.486 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2cc(C)cc(C)c2)c2c[nH]c3ccccc23)cc1 27746343 IGMWCLIBZSDCJI-DEOSSOPVSA-N 428.532 5.120 0 40 IKAB Cc1ccc(Cn2cc(Br)c(NC(=O)c3cc(F)c(F)cc3Cl)n2)cc1 27917108 SFZDJORBSLSJJK-UHFFFAOYSA-N 440.675 5.186 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 33475631 OVJDEKRTQVDGKT-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB Cc1ccc(S(=O)(=O)N=S=C(Sc2cccs2)c2c(C)cc(C)cc2C)cc1 33534761 OSODGKHGZUUSJS-UHFFFAOYSA-N 447.672 5.907 0 40 IKAB Cc1oc2cc(OC(=O)/C=C\c3ccccc3)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 33890306 PPZKTOKWFSEHQF-GHXNOFRVSA-N 440.451 5.158 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]12 33935956 QYXSLVBHLXGBFP-VBQJREDUSA-N 432.446 5.049 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)oc2Sc2ccc(Cl)cc2)cc1 35681715 VPUATSXQJWTPKX-UHFFFAOYSA-N 434.948 7.015 0 40 IKAB COc1cccc(CSc2nccn3nc(-c4ccc(Br)cc4)cc23)c1 38486450 GIFGZUKHHLPWQG-UHFFFAOYSA-N 426.339 5.460 0 40 IKAB CCc1ccccc1NC(=O)CN(C)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 38624102 BQNDYWQNPGBTEQ-AREMUKBSSA-N 425.532 5.225 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)c1cccc(Cl)c1 39763826 JXZDLMBXVOZKFC-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB CCN(C(=O)c1csc(-c2ccc(OC)cc2)n1)c1nc2cc(Cl)ccc2s1 69869954 CMXZKDIMIKTOKF-UHFFFAOYSA-N 429.954 5.749 0 40 IKAB COc1ccccc1C(O)(CCCCCNC(=O)OC(C)(C)C)c1ccccc1OC 72233857 OSSMRMFCRKOONY-UHFFFAOYSA-N 429.557 5.025 0 40 IKAB CCC1CCC(N(Cc2cc(=O)n3nc(C)sc3n2)[C@@H](C)c2ccc(F)cc2)CC1 72275075 HCJUAUHSPDXKAC-NNDYNSRJSA-N 428.577 5.131 0 40 IKAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177516 ZADJJCYGSUGDSK-ZDUSSCGKSA-N 446.935 5.418 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 80346219 BQFCFMKVJWGOSL-UHFFFAOYSA-N 428.989 5.621 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)Nc4cccc5[nH]ccc45)c(C)c3cc2c1C 96116203 HNWWFDGHICATMM-UHFFFAOYSA-N 428.488 5.825 0 40 IKAB biogenic O=C(NCC1(Sc2ccccc2)CCOCC1)C1c2ccccc2Oc2ccccc21 96331127 REKCOVWFHQPUHK-UHFFFAOYSA-N 431.557 5.382 0 40 IKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 100187125 GHVOMBLDMXBYRR-ZBVBGGFBSA-N 445.518 5.313 0 40 IKAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)cn1 100739100 DTWSWUQLVQZJST-TYKWCNGQSA-N 429.568 5.069 0 40 IKAB CCC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 103359882 GODSADNWHHFTCY-JDITYXQVSA-N 439.983 5.496 0 40 IKAB COC(=O)CC[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[C@@H](O)[C@@]21C 123322001 FVYCOKNQUSFTBH-AFZDBXOZSA-N 448.644 5.137 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 223260984 SEFHUFUGNGWPHF-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@@H]1CCCO1 223322261 KDYQFMFREVJYNW-BULFRSBZSA-N 439.968 5.147 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 223532462 LQNKQGVAASRQPD-RPWUZVMVSA-N 431.609 5.183 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223739561 BPNUGBOTNFITFE-SANMLTNESA-N 436.640 5.775 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 223785662 HFGGXMHRRADTEB-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)c(C)c1 223963982 LYGPEZPDLMBSLA-JOCHJYFZSA-N 440.540 5.124 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 223983217 KFAYHIWQWXQKAH-HSZRJFAPSA-N 445.003 5.005 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COc1ccc(C)cc1 224129107 WLLNOGDGDQCYGL-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CSc2ccccc2)cc1 224168933 CJVJVTMWBFBSRI-UHFFFAOYSA-N 449.626 6.375 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1Cl 224477843 ZQWHHQVFNSLEKX-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224754629 VDWAOLHXHBEXRI-VWLOTQADSA-N 448.994 5.047 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@H](C)C[C@@H](C)C4)cc3)CCCC2)c1 225509903 ZZPBBOGTQSGTDK-DHIUTWEWSA-N 434.624 5.802 0 40 IKAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1cc(Cl)ccc1Oc1ccccc1 225736843 OLRVNYGBEQQMJY-UHFFFAOYSA-N 439.298 5.739 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 225880122 QFGQIBUUCKYHGL-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257262685 LMKNQDFTRZJZOC-DEOSSOPVSA-N 448.994 5.882 0 40 IKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CCCC)n1 257303538 SHQATQVJVXBHHM-UHFFFAOYSA-N 436.552 5.832 0 40 IKAB CCOc1cc(COc2c(Cl)cc(C=O)cc2OC)ccc1OCc1ccccc1 408540109 NEQVPSPEZDUFOD-UHFFFAOYSA-N 426.896 5.718 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1nc2ccccc2[nH]1 408635305 YYQYNCPKBOGETB-WQRHYEAKSA-N 430.407 6.060 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)cc1C 408697516 KACKZCFPBHUZTR-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703458 GCDHIJOPRAQGMH-AEUPAERQSA-N 440.996 5.033 0 40 IKAB COc1cccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)c1 408840030 XAHAVKVJFDNPNR-RIYZIHGNSA-N 448.725 5.670 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OCC 409208502 GJLQMMDSPTYBLJ-LICLKQGHSA-N 438.332 6.032 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409216973 QFLKOGAZFXBLJD-LDADJPATSA-N 427.934 6.634 0 40 IKAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N[C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 509947716 WTHYKRDJWHTRGN-AEFFLSMTSA-N 431.458 5.063 0 40 IKAB Cc1cc(C)c2c(c1)[C@H]1O[C@@H](COc3ccc(C(C)C)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265918 WXASGPFTRHANIB-KUVYTWDVSA-N 438.564 5.824 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 675740 SLBKHXVFFDZUIS-WSCWJOSJSA-N 434.536 5.015 0 40 IKAB CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 890635 XNZKOXSLLCUTPF-HNNXBMFYSA-N 439.503 5.054 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919293 RZPAXJUQVLFKQV-QAPCUYQASA-N 432.446 5.686 0 40 IKAB CCCc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1Cc1ccc(Cl)cc1 1363184 IGQHPWCTIUNATC-UHFFFAOYSA-N 427.932 5.398 0 40 IKAB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1ccc2c(c1)OCO2 1599624 MQZFKLHIGUYBJZ-UHFFFAOYSA-N 440.498 5.395 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@@H](C(C)C)OC3 1825516 FGXMYJDLQKQPFP-SFHVURJKSA-N 428.623 5.496 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c(C)c1 1858065 LLEBLHPAMLYKPH-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1cccc(C(=O)Oc2ccc(Oc3ccc(OC(=O)c4cccc(C)c4)cc3)cc2)c1 2079074 WEQIRUSAZFJRGI-UHFFFAOYSA-N 438.479 6.534 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3)cc2)c2c(O)nn(C3CCCC3)c2N1 2211723 JGFIRXFEJDRWCT-QFIPXVFZSA-N 435.549 5.058 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 2326980 PZWRFTJHIZIFNR-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCc1nc(SCC(=O)c2ccc(Br)cc2)c2oc3ccccc3c2n1 2443882 TZDVGWDSRHZHPG-UHFFFAOYSA-N 427.323 5.676 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccc(F)cc3)c2cc1OC 2691937 YHPKIXPRAYOIAT-UHFFFAOYSA-N 441.506 6.025 0 40 IKAB Cc1c(C(=O)OC(C)C)sc(NC(=O)c2ccc(C(C)(C)C)cc2)c1C(=O)OC(C)C 2740293 BXGAJDAQTIROSR-UHFFFAOYSA-N 445.581 5.737 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3251085 AKHPHAICVSRCFW-LBPRGKRZSA-N 447.375 6.033 0 40 IKAB COc1cc2c(cc1NC(=S)Nc1ccc(SC(F)F)cc1)oc1ccccc12 3258889 BGEBPKFHBVGZPF-UHFFFAOYSA-N 430.501 6.718 0 40 IKAB CCN(C(=O)COC(=O)c1sc2c(Cl)c(OC)ccc2c1Cl)c1ccccc1 3261153 ITQRZPBFXRUVGF-UHFFFAOYSA-N 438.332 5.427 0 40 IKAB COC(=O)c1sc(Nc2cccc(Cl)c2C)c(-c2nc3ccccc3s2)c1N 3339422 SFUVNZSHQIDBNF-UHFFFAOYSA-N 429.954 6.099 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 3655179 PVKUVAKDYKUPPS-QHCPKHFHSA-N 434.565 5.655 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 5944353 YWVGLGMLUGNQJT-UHFFFAOYSA-N 445.613 6.388 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)C2CCCCC2)cc1 6406961 AIVFDNIZKNVMIG-UHFFFAOYSA-N 433.577 5.810 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1)OC1CCCCC1 6445038 JTEVITXXZWQZFJ-UHFFFAOYSA-N 445.947 5.695 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(CC)cc32)cc1OCC 6844059 WOZMIAXGJYTVFE-UHFFFAOYSA-N 427.548 5.789 0 40 IKAB CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 8763389 OWFUKUGOKNPCTR-QFIPXVFZSA-N 440.634 6.507 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(C)c1 8831902 ICEJQVDFQKVSAW-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1ccccc1-c1nc2cc(NC(=O)COc3ccc(C4CCCCC4)cc3)ccc2o1 8832076 RBIKZRKMUCQQBY-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1cc2ccccc2o1 8832341 CQENVABHBNNOIV-UHFFFAOYSA-N 440.886 6.744 0 40 IKAB C[C@H](NCc1ccccc1OCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 8861291 PIGJTNCWLHXXFJ-BALBBAFXSA-N 444.446 7.267 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(OCC(C)C)c4)ccc3o2)cc1OC 8903933 WZIVTSXOEXGPNI-UHFFFAOYSA-N 446.503 5.799 0 40 IKAB Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc(C34CC5CC(CC(C5)C3)C4)ccc12 8934339 JCTAPSCLAKURTL-UHFFFAOYSA-N 446.660 6.745 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(=O)oc2cc1O 9035665 BHCKYZWVJIBVTJ-UHFFFAOYSA-N 434.319 6.181 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 9037268 YJIFHMSJTAOSBL-UHFFFAOYSA-N 426.541 5.281 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCc3cc(=O)n4ccsc4n3)nc2c1 9206994 YRCPMYCYKBKXTD-UHFFFAOYSA-N 431.542 5.272 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9289260 JTENPBUEUSQQGE-AREMUKBSSA-N 436.559 6.396 0 40 IKAB O=C(CCSc1ccccc1)Nc1cccc(NC(=O)CCSc2ccccc2)c1 9368857 MFUVDOUNVRMRLV-UHFFFAOYSA-N 436.602 5.928 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1)c1cnccn1 9391891 YMVFFMHSGBSWAJ-UHFFFAOYSA-N 436.423 5.262 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 9494034 QFVVEYSJLJWPQN-HNNXBMFYSA-N 442.894 5.103 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1F)oc1ccccc12 9632338 IFLSKQYHTPEMGM-GFCCVEGCSA-N 425.387 5.057 0 40 IKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2cccc(OC)c2)cc1 9847325 WHFAHAKJZSYHEU-UHFFFAOYSA-N 432.545 5.691 0 40 IKAB CCN(c1ccc(NC(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1)C(C)C 9963170 HRMNQNPLURVBKL-UHFFFAOYSA-N 444.746 5.072 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 12195818 FBNCKCALIKJOOQ-LADGPHEKSA-N 439.342 6.634 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@H]1CCCC[C@@H]21 12372527 MAXLXFSSOLYCRP-SWYRRKHMSA-N 447.531 6.003 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 12507120 FYLNSIVGQGIDKE-QHCPKHFHSA-N 447.991 5.850 0 40 IKAB CCOc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OCC(=O)N(C(C)C)C(C)C 12527274 FKPOTKUJLFKDLU-JLHYYAGUSA-N 448.563 5.534 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c2ccccc21 12549324 RTPFQQLXLLVQDX-UHFFFAOYSA-N 442.515 5.515 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12590313 UMZQDJUWIDJNEJ-KRWDZBQOSA-N 431.517 5.093 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 12679216 CGDVSBIHYKHSAT-OAQYLSRUSA-N 429.520 5.148 0 40 IKAB Cc1cc(C)cc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 12878403 PLYBPVPNZRDINW-UHFFFAOYSA-N 443.041 5.599 0 40 IKAB CC(C)n1ncc2c(C(=O)N3CCCSc4ccccc43)cc(-c3ccccc3)nc21 13109586 RJPRMPMHTGYCKS-UHFFFAOYSA-N 428.561 5.822 0 40 IKAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c[nH]c4ccccc34)c2C1 13134656 XABMHDGTEBQAOG-KRWDZBQOSA-N 440.543 5.907 0 40 IKAB O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 13305803 HBQWZCZPPVPNGN-HWYHOQROSA-N 439.553 5.898 0 40 IKAB COc1ccc(Cl)cc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 13364345 LLMZMHIUAINDIW-FQEVSTJZSA-N 426.303 6.254 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1CSc1nc2ccccc2s1 16019925 FQQRAXYISIRGPC-UHFFFAOYSA-N 434.542 5.612 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1 16262351 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IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 89662050 QAMLRPXMMZCXPN-MOPGFXCFSA-N 446.979 5.144 0 40 IKAB Cc1ccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)cc1F 96037898 BDRZUODIOJVWQQ-UHFFFAOYSA-N 429.476 6.318 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)cc3)ccc12 102312946 XAGCOIJCLBJNPK-OEEWACLQSA-N 431.532 5.235 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222625011 KCVNTJUWVXJTJR-VGOFRKELSA-N 449.422 5.301 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 222895050 XJLLDUHIXSUSQK-AREMUKBSSA-N 446.591 5.113 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCSC1CCCCC1 223065719 MDJXETNUGMAXCT-PGMHBOJBSA-N 428.623 5.010 0 40 IKAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2 223067047 PJJRWKOZGVVSHL-RUZDIDTESA-N 448.588 5.247 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223271070 SHIBZCSQCJRHFS-NRFANRHFSA-N 447.044 5.463 0 40 IKAB 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225481296 XHRWSLLPAWPLJG-DEOSSOPVSA-N 430.617 6.653 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 225557455 WIIQMYHBMPCNGV-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCc1ccc(Cl)cc1Cl 225802669 GYNHRKKHSPDUQP-UHFFFAOYSA-N 444.240 5.311 0 40 IKAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)c1 225814619 ZNZODSMEWHWCQA-UHFFFAOYSA-N 433.895 6.062 0 40 IKAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225961310 CEIBZGAVRNQCMG-RTBURBONSA-N 447.608 5.553 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)C1)C1(c2ccc(Cl)cc2)CCOCC1 257206938 BFNXIKYSDQZABE-HXUWFJFHSA-N 448.994 5.418 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1C 408545806 OMQRJXNPDPLNDP-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 408577107 WNVKHVKTYRADDH-VMPITWQZSA-N 435.420 5.084 0 40 IKAB CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 408578520 YIQCMOFZZVTVEE-OAHLLOKOSA-N 440.392 5.415 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)o1 408636953 DKJGTOWIRJPSDV-UHFFFAOYSA-N 425.897 5.283 0 40 IKAB CCOc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 408647111 SEBCQOSQVFUHMV-UHFFFAOYSA-N 440.499 5.404 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(C)c(Cl)c2)n1 408699740 WBEZRCKOOOLXTJ-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 408791066 VMJREVMHBMSBAD-UHFFFAOYSA-N 445.971 7.677 0 40 IKAB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C 408810304 IPNKNKMUWUSJHP-IVTWHQKDSA-N 444.624 6.541 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3cccc(C)c3)cc2C)cc1 409181549 CZSVCTYWQCDPDL-UHFFFAOYSA-N 438.523 6.777 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 500291695 JZUCTBSESBWWLZ-INIZCTEOSA-N 429.973 5.007 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(OC)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264603 KLXYXGBWHWJCAF-HIGZBPRKSA-N 440.536 5.045 0 40 IKAB 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449.963 5.387 0 40 IKAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(OC(F)F)cc1 3301099 FTEWVMHYXCMMKF-UHFFFAOYSA-N 445.468 5.666 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 3331753 SBZXGNZNUBEZCP-DYHBGCKMSA-N 431.488 5.030 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 3666200 BAAKUUZTYJLECB-UHFFFAOYSA-N 432.614 7.138 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 4109868 XZLWZKYCTIMQBT-UHFFFAOYSA-N 434.502 6.011 0 40 IKAB CN(C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2 6878607 NWCXUSQITRHCNT-DGYKNECPSA-N 448.489 5.177 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 8453792 VKPWWTWMAVNDQQ-LLJLDELUSA-N 443.628 6.317 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(F)c(Cl)c3)o2)nc2ccc(Br)cc12 8717646 XWGRRTAOXDGGJN-UHFFFAOYSA-N 446.659 6.415 0 40 IKAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 8743717 VKVGQGZCUFWATF-AREMUKBSSA-N 437.543 5.236 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c(C)c1 8752806 OECWEEUITKDQMP-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1C 8816259 HBOZLQFLVMHOLR-WSDLNYQXSA-N 447.560 5.514 0 40 IKAB CCc1ccc2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)cc(=O)c2c1 8917652 YQPVGLBYEIIFGX-UHFFFAOYSA-N 437.451 5.585 0 40 IKAB COCCn1c(SCc2csc(-c3cccc(OC)c3OC)n2)nc2ccccc21 9074045 XGPREEHAJRPBPH-UHFFFAOYSA-N 441.578 5.116 0 40 IKAB CCCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)CO[C@](C)(CC)C3 9193214 PPXDWHDJBPMGIL-JOCHJYFZSA-N 428.627 5.832 0 40 IKAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 9272295 IUUXCRHNLRJGFJ-UHFFFAOYSA-N 440.543 5.681 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 9308929 OIBBRRHVCYFGMC-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB Cc1ccc([C@H](O)[P@@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 9375500 YWKQZWIISXPLLT-SVQPFCLWSA-N 443.568 6.133 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 9451205 UOSHISKRMFPCJC-GOSISDBHSA-N 427.243 5.146 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 9479190 BHOSHDUDRDZOKU-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 9849497 UDUCOHCQXISKLI-UHFFFAOYSA-N 447.966 5.134 0 40 IKAB CC(C)c1ccc(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1 9908165 SVOICOFLRQTNBL-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@H]2CCCO2)cc1 9951148 YXGBDPXJPDYOHD-OAQYLSRUSA-N 448.548 5.080 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1ccc2c(c1)OCO2 10039052 ZDVLQPVXNZIZQP-UHFFFAOYSA-N 441.270 6.091 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 10449655 FMZUTXTZVFVABC-HFJWLAOPSA-N 428.557 5.052 0 40 IKAB COc1cc(Cl)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1OC 11058183 ZYMPMPGWAMROLF-UHFFFAOYSA-N 430.502 5.618 0 40 IKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccccc1Oc1ccccc1 11852535 DEWVNZDOLBGXAJ-UHFFFAOYSA-N 429.526 6.464 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C\C(=O)Oc2ccc3ccccc3c2)cc1 12377811 ZTKUUVRMQDUQRE-JXAWBTAJSA-N 446.506 6.320 0 40 IKAB COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2C)cc1 12565168 OJPOPZDLBOHDQW-UHFFFAOYSA-N 449.963 5.975 0 40 IKAB O=C(Nc1ccc2c(c1)OCCCO2)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12567667 ATQFPWHRICGKMU-UHFFFAOYSA-N 429.451 5.092 0 40 IKAB Clc1ccc(-n2c(-c3ccc(Br)cc3)nc3nc4ccccc4nc32)cc1 12622699 UGMAVOYEHOFSHH-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB Cc1ccc(-n2nc(C)c(/C=C(\Cl)c3nc4cc(Cl)ccc4c(=O)[nH]3)c2Cl)cc1 12639963 SISWLESFYKHHOV-YVLHZVERSA-N 445.737 5.769 0 40 IKAB CCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC 12976827 MBRZCINJGJCVLY-AWEZNQCLSA-N 430.957 5.377 0 40 IKAB Fc1ccccc1-c1nnc(SCc2noc(-c3ccco3)n2)n1Cc1ccccc1 12996804 GMMHAJXWIWTHDD-UHFFFAOYSA-N 433.468 5.068 0 40 IKAB Cc1ccc(-c2noc(COC(=O)c3ccccc3OCc3ccccc3Cl)n2)cc1 13098435 VHPCSNAZTQIGMB-UHFFFAOYSA-N 434.879 5.634 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc2ccccc2cc1OC 13568042 CACSSHMOEQWJNY-UHFFFAOYSA-N 425.444 5.313 0 40 IKAB Cc1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@H](c4ccccc4)N23)cc1 13595624 QCRAKAHFAMILHC-SOUQWLJBSA-N 446.619 7.975 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13632309 WWDVAIBSFBJHPA-UHFFFAOYSA-N 430.548 5.816 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 13928575 WRIINNGAJVLRTE-XKZIYDEJSA-N 448.316 5.681 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 14009316 IIFMUEINZFLMNC-UHFFFAOYSA-N 442.603 5.431 0 40 IKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 14634892 LUOZCPDWZVQXFQ-UHFFFAOYSA-N 447.301 5.834 0 40 IKAB Cc1cc2occ(CC(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c2cc1C 15317900 JCXSTDDCQWLFFL-UHFFFAOYSA-N 431.561 5.246 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)c1 15729388 GFCPNEWKVWPPKA-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc34)c2C(N)=O)C1 17100645 AEUIOMIFLBHSBH-INIZCTEOSA-N 436.577 5.169 0 40 IKAB Cc1onc(C(C)C)c1C(=O)N1CCC(c2nc3c(C)cccn3c2NC(C)(C)C)CC1 19237594 UYMDQOXHWIYKLT-UHFFFAOYSA-N 437.588 5.293 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1 19636722 XSROKJRGWGHGDY-UHFFFAOYSA-N 442.563 6.111 0 40 IKAB CC[C@H](NC(=O)Cn1nc(C(F)F)c(Br)c1C)C12CC3CC(CC(C3)C1)C2 19639952 ORQYYEHRXZBBEL-XACAWQSSSA-N 444.364 5.003 0 40 IKAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(CC(c1ccccc1)c1ccccc1)C3 20610398 LPTYLJSDTZCXLB-UHFFFAOYSA-N 425.528 5.702 0 40 IKAB biogenic CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 20611005 AAQJDPOQOMTELG-MRXNPFEDSA-N 434.927 5.812 0 40 IKAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 24473643 IQKZDFYNNONQIU-IBGZPJMESA-N 429.545 5.493 0 40 IKAB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 27229537 YCQTVFQMYNHDDP-JWGURIENSA-N 449.963 5.393 0 40 IKAB Cn1c(=O)n(C)c2cc(Sc3ccc(Cl)cc3)c(NC(=O)c3ccc(F)cc3)cc21 28049061 UIBPPBMMVQFCCK-UHFFFAOYSA-N 441.915 5.073 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1Cl 32125190 CUUCKVZTCULMKK-UHFFFAOYSA-N 431.989 5.102 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32127207 SKEWOAHIXZSTGW-UHFFFAOYSA-N 438.405 6.027 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)C1CCCC1)Nc1ccc(Cl)c(C(F)(F)F)c1 32969312 BHYTUJRQSLKHLM-UHFFFAOYSA-N 428.838 5.109 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352221 QLYJDPXFWFSPMG-VPUSJEBWSA-N 446.978 7.104 0 40 IKAB N#C[C@H](C(=O)c1sc2ccccc2c1Cl)c1nc2cc(C(F)(F)F)ccc2s1 54281449 BAKHCSSMPCIDIB-LLVKDONJSA-N 436.867 6.673 0 40 IKAB COc1ccc([C@@H](NC(=O)/C=C(/C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 67192429 PGOVFNZQZSMXCW-ONYMQZCISA-N 433.551 6.671 0 40 IKAB NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCCC2)CC1 72345087 QNKBFHFFEYWQLO-UHFFFAOYSA-N 438.637 5.412 0 40 IKAB Cc1ccccc1Nc1nnc(SCc2csc(-c3ccc(Cl)cc3)n2)s1 89690669 JZXAJKSUIDUWEN-UHFFFAOYSA-N 431.011 6.659 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccccc2)cc1 101189616 GNQPFSFEXPGBEN-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 102625316 DATGARPAGHMVFF-KOSHJBKYSA-N 440.503 5.219 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1OC 102677893 BLNRWUQIUHBDEJ-FPTDNZKUSA-N 436.899 5.014 0 40 IKAB CCCCNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 103109419 PUENKUIYQBJHTJ-ICFOKQHNSA-N 434.561 5.246 0 40 IKAB CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 103450739 WMUGBHWKXAIERP-PZGXJGMVSA-N 437.587 7.162 0 40 IKAB CCC1(CC)C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118927829 NYYBWRGTXVHQCX-NCCRCWGKSA-N 440.756 9.013 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@@H](C)CC 214063844 OZFVMEUGZNGCOE-PCXKXAPESA-N 445.968 6.153 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222563676 WSAUCKSUOQGLOY-AVRDEDQJSA-N 447.044 5.197 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222567341 PAJDMPUJJMXMAQ-XUZZJYLKSA-N 440.653 5.242 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 222853151 POMAELODHMXGQL-SFHVURJKSA-N 447.044 5.295 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 223134955 QYNYVHUWPMRGGW-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 223389060 GVTIKIYFVWNYHJ-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223417822 JQYFZFIQXPLCJP-DNQXCXABSA-N 434.609 5.262 0 40 IKAB CC[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(C)cc1)S(C)(=O)=O 224304440 VZIXDLDAJMSTAC-OAQYLSRUSA-N 436.533 5.078 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(C(C)(C)C)cc1 224519770 PUQRTSRYOWRMQN-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224539426 QDTHMOGDBJFJAR-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cc(C)cc(C)c1C 224608666 FLADZSFFOSBVNJ-UHFFFAOYSA-N 431.576 6.965 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 224963210 QLWVHTXGNSRYET-UHFFFAOYSA-N 446.012 5.642 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225134767 RSCOXUZDQHSMMS-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225310046 BYKISAAHTCBCAD-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 225505350 KVYQGHMUKJVZAF-HXUWFJFHSA-N 445.813 6.487 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1Cl 225616133 SIMHZAJNLCOTPX-UHFFFAOYSA-N 440.993 5.266 0 40 IKAB COc1cc(C)c(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C(C)C 225666259 FXEZHDDGQJSLRD-UHFFFAOYSA-N 440.008 7.325 0 40 IKAB O=C(N[C@@H](CC1=CS[C@H]2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 230403021 PMDBULUWCYRQDX-CQLNOVPUSA-N 445.540 5.110 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C\c1cccc(Br)c1)[C@H]2O 252346968 NKLBOHZLKULONG-FDDVNLOOSA-N 443.469 7.236 0 40 IKAB O=C(c1ccccc1CN1CCCCC1)N1[C@H]2CC[C@H]1CC(Cc1ccnc3[nH]ccc13)C2 257310087 UDQFCIWROMDCRT-ZEQRLZLVSA-N 442.607 5.175 0 40 IKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccc(F)c(Cl)c3)c2)cc1Cl 408605878 HARJEMUUESOOTK-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccccc2OC(C)C)C(=O)O)o1 408633462 NDJAXIPEZSVPAB-ZDLGFXPLSA-N 446.912 5.404 0 40 IKAB O=C(CCCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 408647089 RTIPUAUDXJHZTD-UHFFFAOYSA-N 440.499 5.284 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCSc1ccc(Cl)cc1 408927024 SCKSHMKAVBKZJK-UHFFFAOYSA-N 428.022 7.062 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 409119998 RWEINWRHNJKGBI-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@H](C)Oc1ccccc1Cl 409159565 RDCBYXNQSZUUJL-AWEZNQCLSA-N 448.951 5.270 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1 409198399 FOIDIPDRDZCATF-FLWNBWAVSA-N 446.575 6.829 0 40 IKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 409236545 RWISCMVMTLTODX-LICLKQGHSA-N 439.726 5.529 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(F)cn3)cs2)cc1 585268789 PKYNRBUBWCUMSV-NRFANRHFSA-N 438.572 5.564 0 40 IKAB CCCc1ccc(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c1 2037872788 QWNCVLXJWOASOO-UHFFFAOYSA-N 444.506 5.820 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)c1 650897 JNRZHPHNJMTJGB-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2O)n1Cc1ccccc1 1223753 FEGKRWRVDGCGRC-SFHVURJKSA-N 444.560 5.127 0 40 IKAB Cc1ccc(C)c(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc2cccnc2)c1 1360804 UXAPDUYGWUVEAS-UHFFFAOYSA-N 443.620 5.633 0 40 IKAB CC(C)n1c(N2CCN(C(=O)c3sc4ccccc4c3Cl)CC2)nc2ccccc21 1370995 ORURRERTFVAAIA-UHFFFAOYSA-N 438.984 5.448 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1)Nc1ccccc1F 1421972 MZORCZKHYOXXRE-UHFFFAOYSA-N 443.569 5.685 0 40 IKAB COc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 1781934 WFFRJNSZBYEHPO-UHFFFAOYSA-N 448.613 5.669 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 1823575 MDNMRTAKYJBLRL-UHFFFAOYSA-N 428.623 5.889 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(OC)c1 2204962 MAMVSOYIBVNHIP-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB C[C@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 2270590 CJIMPNHZPWPCSQ-RBISFHTESA-N 446.550 6.514 0 40 IKAB Cn1c(CN2c3ccccc3Sc3ccccc32)nnc1SCC(=O)c1ccccc1 2578053 CHUDUYBTHHXURH-UHFFFAOYSA-N 444.585 5.593 0 40 IKAB O=C(CC1(c2ccc(Cl)cc2)C2CC3CC(C2)CC1C3)N1CCN(c2ccccc2)CC1 3125746 FRZDJTYJBUYMNZ-UHFFFAOYSA-N 449.038 5.773 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)n2)c(C)c1 3166590 KTPLZZDDMYEEEZ-UHFFFAOYSA-N 449.579 7.203 0 40 IKAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3263558 LOMRFSIUDGEZDN-NSHDSACASA-N 437.801 5.402 0 40 IKAB CCCc1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 5919350 KFRMKNMSAHSOIY-QFIPXVFZSA-N 446.938 5.613 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 6516500 FRZACAXRSCSUQD-UHFFFAOYSA-N 425.598 5.229 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cccc(C(F)(F)F)c3)c(=O)n1C2 8300247 BCPWKZXEJUGLHO-QFBILLFUSA-N 444.497 5.060 0 40 IKAB biogenic,in-vitro O=C(CSc1ncnc2c1cnn2-c1ccc(Cl)cc1)Nc1cccc2ccccc12 8902901 XJGJZOYIHBFPKP-UHFFFAOYSA-N 445.935 5.353 0 40 IKAB COc1c(C(=O)NC(=S)Nc2cccc(C)c2C)cc2ccccc2c1Br 9064813 CUTQNBOVYGRMLW-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 9076248 HTIQYUBJOTWAFZ-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(Cl)cc2)cc1OC 9426361 YKBGNFGIHUKQHQ-QHCPKHFHSA-N 447.922 5.707 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)s2)c1 9469890 CKFVWRDNTZDTLF-UHFFFAOYSA-N 432.574 5.988 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1cccs1 9833722 DVUWHSMFJJCLLB-INIZCTEOSA-N 432.574 5.064 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n2C)cc1 11152964 LQGPOUSACAFRPT-UHFFFAOYSA-N 442.588 5.131 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 12196578 MYBLUZCEHSODIU-WIOPSUGQSA-N 434.923 5.990 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 12411340 IHVPCCUPYJRKHS-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(OCC)cc32)cc1 12486394 BBZBHJTYLSCETC-UHFFFAOYSA-N 441.575 6.215 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 12775148 OARJXLYACORZRK-UHFFFAOYSA-N 448.906 5.376 0 40 IKAB Cc1ccc2c(COC(=O)c3oc4ccccc4c3COc3ccccc3)cc(=O)oc2c1 13129555 YBHBJEKJAJIOKK-UHFFFAOYSA-N 440.451 5.784 0 40 IKAB CSc1ccc2nc(N3CCN(C(=O)Cc4ccc5ccccc5c4)CC3)sc2c1 13973159 BQGMTHIKHXLJDU-UHFFFAOYSA-N 433.602 5.063 0 40 IKAB Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1NC(=O)Nc1cccc(Cl)c1 16282578 DOKNUQDGVOHSSX-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB CCCCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 16638148 YLZZEZVASKXHLS-UHFFFAOYSA-N 440.809 6.360 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(F)c(F)c3)CC2)n1 19084724 RWLFORHTUBSMLZ-UHFFFAOYSA-N 436.506 5.134 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 19220173 XKPNINLRIRRADH-TZIWHRDSSA-N 427.552 5.092 0 40 IKAB COc1cccc(C2N(Cc3ccccc3OC)CCCN2Cc2ccccc2OC)c1 19326127 PBXXVYWZZDVBDW-UHFFFAOYSA-N 432.564 5.119 0 40 IKAB CCCCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20064603 YDWVMBATVQQFIK-UHFFFAOYSA-N 439.629 5.683 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072748 YFGDTGVJOSMHAT-UHFFFAOYSA-N 425.769 5.769 0 40 IKAB COc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 22076747 VDCCRVGDZSVJNW-UHFFFAOYSA-N 446.772 5.980 0 40 IKAB CCn1cc(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236808 TXCBZPZQDBHHOQ-UHFFFAOYSA-N 428.332 5.311 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nn(CN3CCOCC3)c2=S)c(C)c1 25357206 OJKPSXNEBVQKJN-UHFFFAOYSA-N 444.604 5.054 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 27124134 FFULVVWFICCHSS-OAHLLOKOSA-N 441.603 5.616 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288532 OFQXYIZQSZYIDP-INIZCTEOSA-N 443.012 5.887 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 30753072 KMXWLGVXLBKFPE-XMMPIXPASA-N 436.577 5.010 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(Cl)c1 32686343 ILHPTPBCCWDEAN-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1nn(C)c(C)c1NC(=O)c1cc(-c2cccs2)n(-c2cc(Cl)cc(Cl)c2)n1 32902560 YWXYDPJLWGUHMO-UHFFFAOYSA-N 446.363 5.510 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)sc2c1 33530070 ZXNMEAPCTQTQOP-UHFFFAOYSA-N 438.552 7.401 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1F 33606906 YXAGOPPDCYHQLN-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 34854706 IFWWULBOCBJQQU-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB CCn1c(CC(C)C)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C 38536836 UNWVXDQCEOYMJA-UHFFFAOYSA-N 439.423 5.113 0 40 IKAB Cc1cc(C)nc(Nc2nc(-c3ccccc3)cn2-c2ccc(Oc3ccccc3)cc2)c1 40385423 ZRTQPJCVYVDPRU-UHFFFAOYSA-N 432.527 7.087 0 40 IKAB Fc1ccc(C2(CCCN3CCC[C@@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 57719649 YAGZFKJJNCUVJW-SANMLTNESA-N 447.554 5.013 0 40 IKAB CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c1 67289861 DMYGBNNDJAGSMC-UHFFFAOYSA-N 434.590 5.466 0 40 IKAB Cc1noc(-c2ccc(C(=O)N3CC[C@H](C)Sc4ccc(C(F)(F)F)cc43)cc2)n1 71943116 NNXSFHVOSDEGQY-LBPRGKRZSA-N 433.455 5.595 0 40 IKAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)s1 72375368 MHKUYUWABSGWKF-QGZVFWFLSA-N 433.537 5.271 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2cccc(C(F)(F)F)c2F)S1 96117384 CSJRAQYAWXVCMF-BZNIZROVSA-N 443.466 5.351 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3cccc4ccccc34)ccc2C)cc1 222855272 YJEOXICLBOESIX-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223380035 WJHOHERXUSLOEL-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 223406076 WWDXYCHQDYNAKC-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)c1 224009463 ZUHLMMGVFZBHQB-UHFFFAOYSA-N 448.611 6.461 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019862 KCAYVFRLLAIIMD-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(Cl)c(C)c1 224205934 POKSQLUMTLUHPO-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224316390 KDAJXBREHZKDEY-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)s2)cc1 224376565 MWYAOZLKAHLKHP-UHFFFAOYSA-N 435.936 5.998 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc2ccccc2c1 224639703 JRZBGJBDPUIEQJ-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028945 YQLYQDCJHYDOGD-DHIUTWEWSA-N 447.560 5.263 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 225643357 RAEXKRZFJFPCLE-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764891 XJIHNJANXVVXFU-UHFFFAOYSA-N 435.995 7.513 0 40 IKAB Oc1nc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2ccc(Br)cc12 253535998 AJFDBUKGJNQRCQ-UHFFFAOYSA-N 436.092 6.332 0 40 IKAB CC(C)CC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257215671 CREBDAYIQCUHMJ-HRXUQERBSA-N 438.406 5.342 0 40 IKAB CC(C)Cn1nc(-c2cc(C(C)(C)C)ccc2OCC(=O)O)cc1-c1ccc(Cl)cc1 257252189 JTVSQVAMIHYHCU-UHFFFAOYSA-N 440.971 6.287 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 408601927 CJINZMVLFKOCBL-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1Cl 408611040 PSMQDZIIJSCLDG-UHFFFAOYSA-N 432.303 5.891 0 40 IKAB COc1ccc(Cl)cc1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408635589 FMAVADPUPADFCQ-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 408668368 WJQOHKPEQKXEIP-SLUIBLPYSA-N 446.330 5.020 0 40 IKAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(C)c1 409022562 UXMQLHLEAAYXKK-YBFXNURJSA-N 431.941 5.681 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)/C(=C/c1ccccc1)c1ccccc1 409312325 KTBCXCWONNQDRP-HKOYGPOVSA-N 425.915 7.312 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 409410334 MLMCNUHNIGYBRL-UHFFFAOYSA-N 431.985 6.643 0 40 IKAB Cc1nc(C(=O)N2CCC[C@@H]2Cc2nnc(-c3ccccc3)o2)c(-c2ccccc2F)s1 504497488 HYBZWVLPALMACV-QGZVFWFLSA-N 448.523 5.155 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 524734644 XUMMOBJDHDPRKC-HSZRJFAPSA-N 447.966 5.541 0 40 IKAB Cc1cc2c(cc1-c1ccnc(N3CCN(c4ccccc4)CC3)n1)[C@H](C)CC(C)(C)N2 575473160 JVVSNRJUJCMGKG-HXUWFJFHSA-N 427.596 5.476 0 40 IKAB O=C1C[C@@H]2CCN(C3CCC(F)(F)CC3)C[C@@H]2CCOc2ccc(C(F)(F)F)cc2N1 1534646246 FQVXCQOYZZBEMP-GJZGRUSLSA-N 446.460 5.333 0 40 IKAB O=C(Nc1nc([C@@H]2CCCN2Cc2cncs2)cs1)c1ccc(C(F)(F)F)cc1 2037905348 LLQXAKJZRUPWNN-INIZCTEOSA-N 438.500 5.208 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1C 863705 FISWWJMBSFOGJI-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)cc2c1 880160 VOAGNNTYFNIPMI-UHFFFAOYSA-N 447.535 5.075 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1Cc1ccccc1 925195 ANYWFVYLHOGGHM-UHFFFAOYSA-N 442.588 5.265 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3cc(=O)oc4cc(C)cc(C)c34)cc12 2147683 DVFXYQINIACRAI-UHFFFAOYSA-N 448.515 6.209 0 40 IKAB biogenic COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1OC 2214803 MBWZLZHAECSBIC-UHFFFAOYSA-N 438.531 5.950 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(C)c(Cl)c2)n2nc(C)c(-c3ccccc3)c2n1 2336518 OGNSZEZLOSCXHY-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)cc1 2381022 WVIKFKHYROFLML-QFIPXVFZSA-N 431.875 5.200 0 40 IKAB O=C(Cc1ccccc1)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2667201 IVJOWVRLRISULB-OAHLLOKOSA-N 425.665 5.173 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1cccc(C)c1 2932424 JVLXCTATDQZTEU-PXLXIMEGSA-N 445.496 5.464 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1)c1ccc(Cl)cc1 3227405 STYWXAGVKYOCNA-GOSISDBHSA-N 448.375 5.406 0 40 IKAB COc1ccccc1Nc1ccc(NC(=O)COc2ccc(Br)cc2)cc1 3287452 LMXFDSKMBONPSQ-UHFFFAOYSA-N 427.298 5.219 0 40 IKAB COc1cccc(-c2cn3nc(COc4ccc(Cl)cc4Cl)n4c3c2CCCC4)c1 3311559 JCKUEPORRLDNMM-UHFFFAOYSA-N 442.346 6.034 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCCOc4cccc(Br)c4)c23)C1 3353641 WSSFUYJBYCCGLL-LBPRGKRZSA-N 435.412 5.750 0 40 IKAB Cc1cccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c12 6443315 WDAARFIYCLPAEV-IBGZPJMESA-N 433.621 5.607 0 40 IKAB COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Br)cc3)C2)cc1 6924891 CQEVYWFDELVOLS-QFIPXVFZSA-N 441.756 6.467 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccccc2C(F)(F)F)cc1C 8414221 GFEJFTBIDUTZPB-MOSHPQCFSA-N 444.478 5.793 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccccc2)cc1 8715773 QXNFDMKPBBJSAR-VWLOTQADSA-N 437.499 5.312 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)c1 8832087 ACHPOJIIRBBWAU-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 8922887 YWLOYUQWINBZNJ-MHZLTWQESA-N 447.962 5.608 0 40 IKAB Nc1c(C(=O)Nc2cccc(F)c2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 9090119 VVUQSDDRAHSYKZ-UHFFFAOYSA-N 439.515 6.604 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)cc1C 9250395 PMQRITNLIGQRJD-UHFFFAOYSA-N 440.952 5.025 0 40 IKAB COc1cccc2sc(N(Cc3ccccn3)C(=O)CCSc3ccc(C)cc3)nc12 9294047 UTGCAZVHCLBMLR-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9462560 VVGUEVNRMZUTLF-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 9468455 QNXPXQVMGCROMK-HSZRJFAPSA-N 440.572 5.925 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)COc3cc(C)c(Cl)c(C)c3)C(C)C)n2)cc1 9582089 AKVLWFNAQZSLKS-UHFFFAOYSA-N 427.932 5.131 0 40 IKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1nc(Cl)ccc1Cl 9670556 IVPAZTXYSQKRBB-OAQYLSRUSA-N 425.271 5.651 0 40 IKAB Nc1c(C(=O)N2CCc3ccccc3C2)sc2nc3c(cc12)C[C@@H](c1ccccc1)CC3 9804785 PWGIOKJLJNEOCD-IBGZPJMESA-N 439.584 5.350 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040991 RQKNTRVYNNSULG-HNNXBMFYSA-N 428.488 6.298 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OCC 12062898 VWNKHFAPEPOMAB-HSZRJFAPSA-N 435.520 5.244 0 40 IKAB Cc1cccc2sc(C(=O)Nc3nc(CN4C[C@H](C)O[C@H](C)C4)cs3)c(Cl)c12 12756124 MDQLXQBUJBRNCK-BETUJISGSA-N 436.002 5.181 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(SCc4cscn4)cc3)sc2c1 12765002 VJYCCTHJAOXTHE-UHFFFAOYSA-N 440.575 5.256 0 40 IKAB COc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c(OC)cc1Cl 12871712 UIJWFJADHSYZKH-OAQYLSRUSA-N 448.997 5.066 0 40 IKAB Cc1ccc(-c2nc(COc3ccc4c(-c5ccccc5)cc(=O)oc4c3)cs2)cc1 13027929 SSPYJXCVTIVEAI-UHFFFAOYSA-N 425.509 6.471 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl 13624173 KQWYZFZUJNKBEL-UHFFFAOYSA-N 448.331 5.115 0 40 IKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCCOc2ccccc2)cc1 13658682 TYOWPQHQAYAIBQ-QHCPKHFHSA-N 426.604 7.246 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 13684971 DLKUHVTULYYTMU-QFIPXVFZSA-N 448.566 6.215 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 13879626 QYKCBFGOKYAHMI-UHFFFAOYSA-N 448.951 5.017 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1Cl 14273168 IVRUAFQXUHSTBR-UHFFFAOYSA-N 446.761 6.852 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1cc2ccccc2o1 15018957 ZOTILCMLJXUXAN-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc2cc1Cl 16284268 BOTKKPVKFBNIEV-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1cccc(F)c1 16713343 LLWMMBPLACKKQU-UHFFFAOYSA-N 429.929 5.882 0 40 IKAB C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 16757859 HTUDZTFPVVNFNX-GOSISDBHSA-N 441.987 7.594 0 40 IKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(-c2cccc(Cl)c2)o1 17097249 YCOSAYNZYMPOFE-UHFFFAOYSA-N 430.916 7.129 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)c(F)c1F 17097879 QRKABXKGIBTDMW-UHFFFAOYSA-N 432.398 5.781 0 40 IKAB CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 19702532 HGIYYGSAMWNDFF-LJQANCHMSA-N 449.620 5.309 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20145394 HZMAIGPOXNAKAD-UKTHLTGXSA-N 433.435 5.499 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)cc1C 20459614 YQJSDUDCYRIBDL-SFHVURJKSA-N 440.540 5.043 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccc(C(F)(F)F)cc1 21721729 WXTFEWBKCOLLQN-UHFFFAOYSA-N 448.426 5.093 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 22529459 FESHMKOUVRWILH-GOSISDBHSA-N 431.273 5.241 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1C 27792751 SLBJXAPXWHPKRX-GOSISDBHSA-N 447.941 6.014 0 40 IKAB Cc1cc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c2ccccc2n1 27980747 OUDXIIMGPIOMMV-UHFFFAOYSA-N 439.313 5.013 0 40 IKAB Fc1cc(CSc2nnc(CN3CCCCC3)n2-c2ccccc2)c2ncccc2c1 31611823 DGBMFZHLUGFCDN-UHFFFAOYSA-N 433.556 5.233 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccccc2)CC1 39767892 LONKHGFPEMIEIB-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(F)cc2)cc1 44087025 IRBGXBHVRQWSNX-UHFFFAOYSA-N 433.508 5.418 0 40 IKAB O=C(N[C@@H](Cc1cc2ccccc2s1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320791 SLIYDUSATINDBZ-QHCPKHFHSA-N 443.524 5.436 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c(OC)c1 67297130 KDWHRBKGQHCUFB-SGEDCAFJSA-N 428.488 5.552 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 67341365 QNMKGJFKKSBEIE-UHFFFAOYSA-N 444.000 5.943 0 40 IKAB COc1ncccc1C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 71919362 NSKLOVFFVMRKQM-UHFFFAOYSA-N 442.244 5.052 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 72370268 ODUCCSSLCLJKNW-GOSISDBHSA-N 440.996 5.081 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cc2s1 72374155 ZVUJFTQJQHCKBY-NRFANRHFSA-N 445.563 5.749 0 40 IKAB Cc1c(-c2nnc3sc(-c4cccc(OCc5ccccc5)c4)nn23)oc2ccccc12 96194218 QNRWCGQZBIFECB-UHFFFAOYSA-N 438.512 6.153 0 40 IKAB Fc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(Cl)cc1 101488874 RONQUBVEGAKJOK-UHFFFAOYSA-N 431.854 5.773 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)c1 113965991 NHJLDMQUYLDGAB-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1C 216032020 QKBJYLVJKRBCIE-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222816327 SHLAOECVXZNQGD-LJQANCHMSA-N 443.031 5.728 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 223176200 JJGTUZGJBVBXGI-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 223770533 DUEITXJKYKTEMA-DNQXCXABSA-N 444.535 5.197 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1 224262072 XXYHDQWVCOKUMM-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc2ccccc12 224303864 BPBRPGSKUZMYEV-UHFFFAOYSA-N 441.483 5.451 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 224327263 XWYFJAUELWIUFM-LOSJGSFVSA-N 439.588 5.315 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224779185 AZICARLEJSDDFC-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224788912 JKMMEAZOVNQMTQ-IBGZPJMESA-N 426.988 5.057 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224832035 IMNDYSOXBBVRNG-ZEQRLZLVSA-N 448.592 5.029 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225219686 XXVSPSWNUCMVGS-DEOSSOPVSA-N 443.031 5.730 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 225629316 GGYWAJJYIDIJDJ-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225659491 NBGGAMZPVMUGDJ-SZPZYZBQSA-N 430.633 5.501 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225678034 LYVYTTSMLSCIFU-INIZCTEOSA-N 428.907 6.256 0 40 IKAB CCCc1nc(CCc2cc(Cl)cc(Cl)c2)c(C(=O)O)cc1-c1ccccc1F 257223675 DYKZFHKWLJUDQG-UHFFFAOYSA-N 432.322 6.630 0 40 IKAB COc1ccc(C(=O)N2CCC[C@]3(CC2)CN(c2ccc(F)cc2)C(=O)O3)c2ccccc12 257255600 KIDOIQPHIBZDHU-SANMLTNESA-N 448.494 5.009 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 260762913 HVDXZQGETAPWNK-UBWHGVKJSA-N 444.387 6.628 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)c1 408700119 YXWIERNMKQIKJM-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1 409121283 YVZZYCQTISLVIT-UHFFFAOYSA-N 445.562 8.132 0 40 IKAB Oc1nc(-c2cc(Br)ccc2OCc2ccc(F)cc2)nc2ccccc12 409269118 FJSVBMZYVFTTLG-UHFFFAOYSA-N 425.257 5.483 0 40 IKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2Cl)n1 585265306 IVUMNAOZUHPOFH-UHFFFAOYSA-N 434.294 6.272 0 40 IKAB Cc1nn(C(C)C)cc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 1615611144 TXYAXSKHWAWJPZ-UHFFFAOYSA-N 430.430 5.296 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1 664027 AKPZGDRVFQANCP-UHFFFAOYSA-N 434.487 5.351 0 40 IKAB O=C1[C@@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 1064746 XVHKLEXJOAPXKI-GOEBONIOSA-N 428.888 5.107 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)c1C 1223929 YJIYHSUDKBWMSS-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)c(Cl)c1 1396483 BDQZKKXLTMLYMI-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 1608222 KZASEJMAAFUHML-VIQVEINHSA-N 425.572 5.312 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CCCC2 2080194 IPAMMSOBIBMRPU-UHFFFAOYSA-N 435.973 5.563 0 40 IKAB O=C(Oc1c(C(=O)c2ccccc2)sc2ccccc12)c1ccc(-c2ccccc2)cc1 2157553 HKGXOPMOJOAUQA-UHFFFAOYSA-N 434.516 7.019 0 40 IKAB CC(C)(C)NC(=O)[C@H]1[C@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C 2273147 CRSMIGCCDJDVOE-HGIQPGCESA-N 426.560 5.497 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2295549 VULPXZGTVYSELM-QHCPKHFHSA-N 444.622 5.445 0 40 IKAB O=C(CCc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 2413386 HSJLTYFEXFXBIN-DHIUTWEWSA-N 441.510 5.135 0 40 IKAB Brc1ccc(CSc2nnc(-c3cccs3)n2Cc2ccco2)cc1 2422208 ZTTMZBUDORVPHB-UHFFFAOYSA-N 432.368 5.703 0 40 IKAB COC(=O)c1ccc(CSc2nc(NC(=O)c3ccccc3)c3c(C)c(C)oc3n2)cc1 2710620 IEGLUDDZNILTRN-UHFFFAOYSA-N 447.516 5.171 0 40 IKAB C[C@@H](c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3202695 QKXQMVQWHWXJSU-AVEISGIFSA-N 428.554 7.931 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1sc2ccccc2c1Cl 3228013 HFVZICLWPBFTIO-UHFFFAOYSA-N 439.993 5.822 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)CCN1c2ccccc2Sc2ccccc21 3338063 ITUOQMFXEIDFST-UHFFFAOYSA-N 433.529 5.634 0 40 IKAB Cc1ccc(-n2c(SCc3coc(-c4cccs4)n3)nnc2-c2ccccc2)cc1C 3446044 HDGXRAYFPQXSPM-UHFFFAOYSA-N 444.585 6.560 0 40 IKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1nnn(CCC)n1)c1ccc(F)cc1 4481559 KXKCWHKYWCDTKM-GOSISDBHSA-N 427.461 5.159 0 40 IKAB O=c1c(-c2ccc(OC(F)(F)F)cc2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 5415033 VUXCVOIIBFUZEK-DOTOQJQBSA-N 446.494 5.095 0 40 IKAB biogenic,in-vitro O=C(CCSc1ccc2ccccc2n1)Nc1ccc(-c2nc3ccccc3s2)cc1 6159114 HQTJUNUYVSNJDX-UHFFFAOYSA-N 441.581 6.632 0 40 IKAB c1ccc(COc2ccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)cc2)cc1 8397616 VDUBVYWQKRFDKU-YTMVLYRLSA-N 432.523 6.508 0 40 IKAB Ic1cscc1/C=C\c1sccc1I 8431214 IQGNYENQARSDQM-UPHRSURJSA-N 444.100 5.189 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nccn2-c2ccc(C)c(C)c2)cs1 8719913 QIBXHKNFIQTKRT-UHFFFAOYSA-N 448.617 6.231 0 40 IKAB Cc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8755189 YXEBCGRNYHYLFP-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 8873474 GMIJKBQEOIWYHJ-SANMLTNESA-N 430.573 5.837 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccccc1 8875279 HUXLIEVQDZVVIG-HYARGMPZSA-N 427.891 5.440 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c(C)c1 8922619 MEWMELBOMNIPEZ-MHZLTWQESA-N 447.962 5.581 0 40 IKAB CC(=O)N(C)Cc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1 9245056 NQEIMPHHPKKAJU-UHFFFAOYSA-N 447.585 5.312 0 40 IKAB Nc1c(C(=O)Nc2cccc3ccccc23)sc2nc3c(c(-c4ccco4)c12)CCCC3 9361367 MDKQYBXRQDFDGT-UHFFFAOYSA-N 439.540 6.423 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=S)NC1CCCCC1 9373083 HFSYHNGVUQGYDK-UHFFFAOYSA-N 438.018 5.068 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccc(Cl)cc4[nH]3)cs2)cc1 9467271 OHIACFGBYPKTSK-UHFFFAOYSA-N 428.970 5.455 0 40 IKAB CCC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1cccs1 9499483 KHHRIIAETUVFOG-DEOSSOPVSA-N 434.045 6.348 0 40 IKAB CSc1nc2ccc(NC(=O)c3cccc(N4C(=O)c5ccccc5C4=O)c3)cc2s1 9513733 HDPPLABRFBLODD-UHFFFAOYSA-N 445.525 5.071 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 9518336 AGZVMWXJWAXMTR-UHFFFAOYSA-N 436.414 5.614 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9580552 RTQOPTXNPZFCQF-INIZCTEOSA-N 432.574 5.066 0 40 IKAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Br)cc2)cc1 9599324 JGIHTWAUSZZGIK-UHFFFAOYSA-N 430.371 5.067 0 40 IKAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 9614450 MWPBLFJZCXSBFK-DEOSSOPVSA-N 447.332 5.022 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4cccc5c4OC(C)(C)C5)cc3)sc2c1 9659726 SMDCPZYLGPORGY-UHFFFAOYSA-N 444.556 6.003 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9727112 RAWMTVYHINCFFY-MRXNPFEDSA-N 446.981 5.177 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9782176 OTPSZIYOVILEAP-GOSISDBHSA-N 426.925 5.212 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 9847456 XIXLXDDYWHTCQY-UHFFFAOYSA-N 445.540 5.314 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 10015492 RQEPVVZJAWVBRC-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB O=C(C[C@@H]1SC(Cc2nc3ccccc3s2)=NC1=O)Nc1ccc2ccccc2c1 10275412 RSAJSGRVOBZJJS-IBGZPJMESA-N 431.542 5.061 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(OCc2ccccc2)CC1 10276656 WNKHEDKORGREDX-UHFFFAOYSA-N 428.557 5.785 0 40 IKAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4ccc(Cl)cc4)CC3)C1)c1cccn1-2 12086182 JVTBQWAGANESSB-SANMLTNESA-N 449.982 5.215 0 40 IKAB C[C@H](CCN1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1)c1ccccc1 12158800 QZFPYPGNRAFDRN-GOSISDBHSA-N 431.502 5.027 0 40 IKAB O=C1Nc2ccccc2[C@@]12Oc1ccc(Br)cc1-c1cc(-c3ccccc3)nn12 12760691 PHSRAUPIECSNSJ-HSZRJFAPSA-N 444.288 5.025 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 13871308 JBUBOMLUDCEVBC-HNNXBMFYSA-N 444.988 5.210 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1 13942494 OIIDYAJILYHOFN-NFQMXDRXSA-N 438.527 5.568 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5cc4OC)cc3n2)cc1 13946124 HKEUVEXKLVKZGR-UHFFFAOYSA-N 436.515 5.705 0 40 IKAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 15842213 DYUMBHKQFMSUHA-UHFFFAOYSA-N 442.573 5.587 0 40 IKAB O=C(Cc1cccs1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 15913927 HJSQSAJSUXJUQW-UHFFFAOYSA-N 441.361 5.037 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(-c3ccccc3)csc2c1=O 16845115 LBKHCWAMPOXTJA-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 17096370 KAGBLOQYRKWJGZ-OAHLLOKOSA-N 429.347 6.885 0 40 IKAB Cc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)c2ccccc2F)c1 19235054 YEUDOIMSMYCMAV-VDKIKQQVSA-N 434.580 5.326 0 40 IKAB O=C(CCC1CCCC1)N1CCC[C@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 19340752 LMQZRKRICPWHMV-QHCPKHFHSA-N 447.627 5.205 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)cc1Cl 19631006 ICZYMRMAXHUBPB-UHFFFAOYSA-N 440.135 5.141 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3nc4ccc(F)cc4[nH]3)c2)cc1 19690657 QCHMHRGXAIOTJK-QHCPKHFHSA-N 430.483 5.058 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20107380 XPCHVEIYBCNNBK-CCLHPLFOSA-N 444.600 5.303 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256947 NKHMVXFVTUNNSL-SFHVURJKSA-N 427.570 5.158 0 40 IKAB Cc1cc(C)cc(N(C(=O)Cn2cnc3sccc3c2=O)c2nc3ccccc3s2)c1 23660313 URDOUVOBLOBSIO-UHFFFAOYSA-N 446.557 5.049 0 40 IKAB Cc1ccc(Nc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)s2)c(C)c1 23968665 YEOXZJGKSGLNQL-UHFFFAOYSA-N 429.958 5.894 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24877817 KQTWBLGDIWTCPJ-DEOSSOPVSA-N 425.513 5.400 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2c(C)cccc2C)c2c[nH]c3ccccc23)cc1 27746275 UQEKMKISJMFFJA-HSZRJFAPSA-N 428.532 5.120 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1Cl 28288904 PUIWUCSSINPMEQ-IBGZPJMESA-N 447.362 5.221 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 30755367 BZUBYXPMGWSXCO-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 30849323 YLSCIXXPBLDXHZ-SFHVURJKSA-N 440.540 5.043 0 40 IKAB O=C(COc1ccc2c(c1)[nH]c1ccccc12)Nc1ccccc1C(=O)NC1CCCC1 32667980 BELLWHBFUMAXSZ-UHFFFAOYSA-N 427.504 5.011 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCc2nc3ccsc3c(=O)[nH]2)cc1 32672264 UGOMBWJDZOJKMM-UHFFFAOYSA-N 430.558 5.438 0 40 IKAB Cc1ccc2c(c1)c(O)nc1c(C(=O)Nc3cccc(C(F)(F)F)c3)sc(=S)n12 32946502 RZUCZHHIGMXNCD-UHFFFAOYSA-N 435.452 5.564 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1F 35132056 GVOKFSULVYIADE-UHFFFAOYSA-N 434.496 5.144 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 35377469 GPEZXDNWMKDLOK-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1cc([C@@H](C)NCc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO 48285680 MSMNJGJWGGASQS-GOSISDBHSA-N 441.955 5.150 0 40 IKAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)c(C)c1 49001879 HWMFSRLSGATPMX-UHFFFAOYSA-N 444.333 5.158 0 40 IKAB CC(=O)O[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)CC1=O 64559860 JRLVDQSYDDODPL-FNUGKIMXSA-N 444.700 7.218 0 40 IKAB O=C(Nc1cccc(N2CCCNC2=O)c1)c1cc2ccccc2n1Cc1ccccc1F 84594903 AKMBYVPHEJNMAI-UHFFFAOYSA-N 442.494 5.001 0 40 IKAB COc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)cc1 96100013 UIVCYMJJEWZLRF-UHFFFAOYSA-N 441.579 5.462 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2 96103663 NYEONVGUMMMXTC-LJQANCHMSA-N 446.469 5.054 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1 113963666 FKTRGUWQMVJBHF-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccc(F)cc1 214245448 VLQLPEQONHVKPX-LPYMAVHISA-N 437.467 5.780 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCCOc4ccccc4)cc3)C2=O)c1 214623334 LZFHGYHCEDMYGA-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222612747 WGXIZOBTBKPKLD-ATIYNZHBSA-N 436.640 5.507 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750381 FISGPDSIFBKPMK-GOSISDBHSA-N 447.044 5.214 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223429889 QGTQECSRXBSGOQ-RPBOFIJWSA-N 446.620 5.570 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C 223472826 NEOGCLBSZXSKHU-JWQCQUIFSA-N 439.588 5.057 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223495370 PXJVQLNBCDYIQR-NRFANRHFSA-N 449.422 5.566 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c1Cl 224001501 PXGOSYBRFGZUKU-UHFFFAOYSA-N 442.843 6.539 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc2c(c1)OCO2 224028166 OOVARFYUIPVRNN-DNQXCXABSA-N 441.512 5.247 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224213703 SWMKEPYDCHNYRE-GOTSBHOMSA-N 445.979 5.406 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)NCCC3CCCCCC3)ccc2C)cc1 224312246 SCFDZVKKUQMCQB-UHFFFAOYSA-N 442.625 5.219 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224312368 UUKDMBWQJOGTFU-XMMPIXPASA-N 441.015 5.366 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 224445012 SXMQRRLGXBMREH-XZOQPEGZSA-N 449.938 6.311 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)CCc3ccccc3)o2)c1 224904945 KVKLKIGUDBMZJX-IBGZPJMESA-N 426.516 5.768 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](CC)C(=O)NC2CCCCC2)cc1 225029653 BHLFBPWZPQWQMC-AREMUKBSSA-N 434.624 5.438 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225311195 UWVPPXXJBXTWOU-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)c1 225613438 OKCBBIGURDWMHL-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB COc1ccc(Br)cc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 226363550 ZOJOUEIRJSFXJM-UHFFFAOYSA-N 446.753 6.554 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 245237251 GZYVZMWMBUTUMQ-DZASIIFFSA-N 431.356 5.308 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CC(C)(C)C)CC1 257201752 AIXCYQPSCCSGMF-UHFFFAOYSA-N 438.587 5.168 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)n1 257204385 AUIGYNRTYIXWPK-KRWDZBQOSA-N 434.515 5.078 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 257264804 LWBPNWDVIMCMMI-CEMLEFRQSA-N 436.600 5.011 0 40 IKAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)c3ccc4c(c3)CCCN4C)nc2)cc1 257294146 QSTMYFYPCXRPKH-HHHXNRCGSA-N 425.576 5.341 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)on1 257297262 RGNQFQZIDQYXOW-IYARVYRRSA-N 436.531 5.406 0 40 IKAB Cc1ccc2[nH]c(C)c(CC(=O)N3CCCCC[C@@H]4N[C@@H](Cc5ccccc5)C[C@H]43)c2c1 257298726 RNAOHODLZVHGNH-WDDWZANVSA-N 429.608 5.072 0 40 IKAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cc1 257303856 SJASKKZIJCONKD-LJQANCHMSA-N 429.520 5.084 0 40 IKAB Cc1cc2ccccc2n1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 257307907 TUPYQRSJGBRGOI-IYARVYRRSA-N 434.565 5.151 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257330165 XNDVEKVWFXCCPP-NRFANRHFSA-N 427.935 5.970 0 40 IKAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 260833525 XQWZMEHORIKUKF-RDJZCZTQSA-N 447.804 5.292 0 40 IKAB CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(OC)cc2)cc2ccccn12 408679185 VGTNJFYRFZRWBD-UHFFFAOYSA-N 426.516 5.561 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)C(=O)[C@@H]2C1 408684855 PNOOMPVJQKLQMO-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2C)c(OC)c1 408821775 AQTKTWDXGMOYBZ-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB Cc1ccc(COc2ccc(CNc3cccc(Cl)c3C)cc2Br)cc1 409112606 FDGVAJORPWOPNE-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB C[C@H](NC(=O)c1cc2[nH]ccc2s1)c1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1 504867648 UIFPPLYOEDGYMJ-ZDUSSCGKSA-N 448.573 5.193 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2c(F)cccc2Cl)Cc2ccccc21 643553391 QSOBRMKBEGOHBP-UHFFFAOYSA-N 444.978 5.758 0 40 IKAB O=C(c1ccccc1)[C@H](Cn1cncn1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 630043 PLEIRHUGPRYAFK-LADGPHEKSA-N 433.964 5.964 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)cc1 869083 CDMPRRMHDBYLTC-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB COc1cccc(OC)c1C(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)coc2c1 940093 VXUDFTMLZLGZCM-UHFFFAOYSA-N 446.455 5.439 0 40 IKAB O=C(N[C@@H]1CC1(c1ccccc1)c1ccccc1)N[C@@H]1CC1(c1ccccc1)c1ccccc1 1707181 DIDKTFQKJBUMOX-VSGBNLITSA-N 444.578 5.803 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N(C1CCCCC1)C1CCCCC1 2093032 KYUZMQRHXXADEP-UHFFFAOYSA-N 447.022 7.663 0 40 IKAB CC(C)Cc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCC2 2221244 HUYAQZYIYNQOJC-UHFFFAOYSA-N 449.605 5.053 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nc(C)cs1)C3=O 2235384 OHLYPWWSGZVPHI-OAQYLSRUSA-N 444.556 5.914 0 40 IKAB CCc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)cc1 2302862 SBOACXRIMDCCDF-UHFFFAOYSA-N 429.903 6.157 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 2328023 XJGBBRLNGCOWSK-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccccc2Cl)c(=O)c2ccccc21 2434234 PMYLYZQPNBIQEH-UHFFFAOYSA-N 437.326 6.248 0 40 IKAB COc1ccccc1[C@@H](c1c(NC(=O)c2ccccc2)sc(C)c1C)N1CCC(C)CC1 2546479 LXOIWOFNGLBLAG-VWLOTQADSA-N 448.632 6.447 0 40 IKAB CCCCc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2887588 FTJYLNPAKOEHAO-UHFFFAOYSA-N 448.419 6.434 0 40 IKAB CC(C)CCOc1cccc(OCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c1 3179932 LGZQZUFSAPBBFT-UHFFFAOYSA-N 436.986 5.967 0 40 IKAB S=C(NCc1ccccc1)Nc1ccc(Cl)cc1NC(=S)NCc1ccccc1 3231620 AGHYIPRPSXFPEG-UHFFFAOYSA-N 441.025 5.313 0 40 IKAB Cc1nc(-c2coc3cc(OCc4ccc(Br)cc4)ccc3c2=O)cs1 3268514 YSDLZHHLKVHKOQ-UHFFFAOYSA-N 428.307 5.566 0 40 IKAB O=c1c2cc(-c3ccccc3)sc2nc(SCc2ccccc2)n1-c1ccccc1 3274774 SIRTXNOVPUOLDW-UHFFFAOYSA-N 426.566 6.407 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccccc1)N(C(C)=O)c1ccccc1-2 3655178 PVKUVAKDYKUPPS-HSZRJFAPSA-N 434.565 5.655 0 40 IKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1-c1ccccc1 3766638 SQNJTZYMOIUWGV-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)ccc1C 4671162 DDWSLHZZXWWIQG-UHFFFAOYSA-N 425.550 5.450 0 40 IKAB Cc1ccc2cc3c(N)c(C(=O)Nc4cc(Cl)c(Cl)cc4Cl)sc3nc2c1 6442071 NTJJIRMMTRWRGO-UHFFFAOYSA-N 436.751 6.553 0 40 IKAB O=C(Oc1ccccc1)c1ccc(Cn2c(-c3ccccc3)nnc2-c2ccccc2)cc1 8384164 SPPTYCRPSBBPTL-UHFFFAOYSA-N 431.495 5.880 0 40 IKAB COc1cccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 8717702 WIRVQVBMBDMYDQ-AREMUKBSSA-N 439.559 5.231 0 40 IKAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8753119 AOZDDYKRYMLZLB-GOSISDBHSA-N 431.536 5.466 0 40 IKAB Cc1cc(C)c2nc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)sc2c1 8832040 AEBWETPIASPXRU-UHFFFAOYSA-N 443.783 6.508 0 40 IKAB COc1cc(-n2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c(Cl)cc1Cl 8855321 KRUGIRKWIJTDCG-UHFFFAOYSA-N 431.706 6.022 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)[nH]2)cc1 9199476 FXCVYKHEBHLCPY-UHFFFAOYSA-N 445.386 5.263 0 40 IKAB CCCCCCc1cc(OC)cc(O)c1-c1n[nH]cc1-c1ccc(Br)cc1 9244263 NWEQPCLNJZLXAW-UHFFFAOYSA-N 429.358 6.343 0 40 IKAB CC[C@@H](C(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12)c1ccccc1 9413707 PUQOWDFOYRRNJT-GOSISDBHSA-N 428.488 5.826 0 40 IKAB COc1cccc(-c2csc(N3N=C(C)C[C@@H]3c3cc(OC)c(OC)c(OC)c3)n2)c1 9485785 BQNMVLPWKRPPIZ-LJQANCHMSA-N 439.537 5.172 0 40 IKAB Cc1cc(C)c2nc(SCc3csc(CC(=O)Nc4ccccc4C)n3)cc(C)c2c1 9493511 ZLHGBQCCISZZIE-UHFFFAOYSA-N 447.629 6.398 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1c(Cl)cccc1Cl 9632966 JFGPBOGKBIVCBT-UHFFFAOYSA-N 443.330 5.606 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 9829779 REUBZOPRGYADCY-JXMROGBWSA-N 437.546 5.017 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 9907587 GWHFDJDIUGCXPQ-HHHXNRCGSA-N 444.600 5.879 0 40 IKAB Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c(-c3ccccc3)cc(=O)oc12 10212900 WWSKRYJXXDLWAL-UHFFFAOYSA-N 449.300 5.793 0 40 IKAB CC(C)c1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 10217283 KVAFTUPMWQKTSB-SFHVURJKSA-N 443.576 5.572 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1CCN(c2nc3ccccc3o2)CC1 10422514 HGIIBPKIYUHGFO-UHFFFAOYSA-N 438.487 5.491 0 40 IKAB COc1ccc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)cn2n1 11693405 BJHPZMPFHFPDRZ-UHFFFAOYSA-N 434.499 5.176 0 40 IKAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4cc(C)ccc4OC)cc3)coc2c1 12442460 WBWKQHGEEWMVIQ-UHFFFAOYSA-N 431.444 5.163 0 40 IKAB biogenic COc1ccccc1CN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 12478224 RTZDDXQSBJRBLZ-RUZDIDTESA-N 446.547 5.121 0 40 IKAB Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Br)c1 12483215 BWHWBCSSEVPDGN-UHFFFAOYSA-N 426.154 6.047 0 40 IKAB COc1ccc(-c2nc3c(cc2-c2nc4ccccc4[nH]2)c(C)nn3-c2ccccc2)cc1 12578916 XGPMMEIGFLEVQQ-UHFFFAOYSA-N 431.499 5.948 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3F)C2)c2ccccc12 12773808 MXWAAPBAMDIXQB-OAHLLOKOSA-N 440.902 5.132 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2cc1Cl 12929497 DAVXLYRNKHLPHM-UHFFFAOYSA-N 448.931 5.550 0 40 IKAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2cccc(C(C)=O)c2)c1 12972297 NLPMSNFEVVEQCZ-UHFFFAOYSA-N 425.488 5.062 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3csc(-c4ccc(OC)c(OC)c4)n3)n2)cc1 13116984 OTZBJWXGZAFWLC-UHFFFAOYSA-N 438.578 5.467 0 40 IKAB CCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 13303759 GDKBUQQZRLFZJM-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB COc1cccc(C(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)c1 13499949 LJUOUIYNKCFIRW-UHFFFAOYSA-N 426.607 6.339 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686811 RWLDHPGBLUJXBR-KRWDZBQOSA-N 445.544 5.430 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OCc1cccc(Br)c1 15305874 SNCCDNXEWPNQKO-XSFVSMFZSA-N 434.289 5.373 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1C 15412881 CSJJXBZZVVCCJI-AREMUKBSSA-N 446.978 6.201 0 40 IKAB CC(C)CSc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 16575369 UNBOKMFWMFSZQE-UHFFFAOYSA-N 441.405 6.369 0 40 IKAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751113 LBGKWLAWCPUNDO-XMMPIXPASA-N 449.547 5.716 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1c(C)cc(C)cc1C 17095241 ZZENBBRCTUSZBP-UHFFFAOYSA-N 427.136 5.398 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@H]2C)cc1 17096381 FGLGOTXQOCWOFN-MSXUNZPYSA-N 429.358 5.488 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)c1 19634521 GVDWGHRVQWBIEB-DLBZAZTESA-N 441.549 5.203 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20050594 UTQQZCYXDFPTKL-KRCUYCIMSA-N 439.599 7.104 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 20369084 SAUMKEHNZUOYGM-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 20482328 ZQMOHKJERCUQCF-OZXSUGGESA-N 430.573 5.342 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 20609632 KMUTYKBZEFLRSH-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1Cl 20610707 ZMTDWNMZXFZHPZ-UHFFFAOYSA-N 434.927 5.632 0 40 IKAB Fc1ccc(-c2csc3ncnc(Sc4nnc(-c5ccccc5Cl)o4)c23)cc1 20667091 PYLMLEGFTRCZPM-UHFFFAOYSA-N 440.912 6.352 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072314 VSPFSMXQXKMWCW-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 22076771 HDILEOBUMLXBCB-UHFFFAOYSA-N 446.374 6.270 0 40 IKAB CCCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22109687 MJJYFIREIVMPPX-UHFFFAOYSA-N 440.762 5.625 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccc(Cl)s1 23982931 XUVLCAFEPVZNHQ-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@H](C)c3ccc(Cl)cc3Cl)cs2)cc1 24459769 KXCBMWZSRJSFFW-OAHLLOKOSA-N 449.403 6.099 0 40 IKAB CC(C)(C)c1ccc([C@]2(O)CN(c3ccc(OC(F)F)cc3)C3=[N+]2CCCCC3)cc1 27525250 PMGCZZTVWFUDTJ-RUZDIDTESA-N 429.531 5.236 0 40 IKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 27695219 FDWAUZMPHGXWLI-NRFANRHFSA-N 425.576 6.050 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)c(C)c2cc1C 28289988 GWPWSUHRRKBVLL-XMMPIXPASA-N 432.608 6.222 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 29377727 WALNYWRHTPFLIG-UHFFFAOYSA-N 443.934 5.088 0 40 IKAB COc1ccc2[nH]cc(C3=CCN(C(=O)CCc4ncc(-c5ccccc5F)o4)CC3)c2c1 32336891 NAEXEOQDHDWNRV-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=C(/C=C/c1ccc(OCc2ccccc2)cc1)OCc1nc(-c2ccc(F)cc2)no1 32672093 PTBOFDDVRQASPS-OVCLIPMQSA-N 430.435 5.211 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 34609448 YYFZLFRYFOLELG-VEIPTCAHSA-N 431.661 7.605 0 40 IKAB CC[C@@H]1CCc2c(c(-c3cccs3)nc3c(-c4ccc(OC)cc4)c(COC)nn23)C1 35326058 QABNDMVYDGXSCD-MRXNPFEDSA-N 433.577 5.795 0 40 IKAB CCc1c(C(=O)Nc2ccc(C)c(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639815 DGYJHOHYWFRCDM-UHFFFAOYSA-N 437.503 5.507 0 40 IKAB O=C(Nc1ccccc1NC(=O)c1ccccc1Cl)Nc1ccccc1C(F)(F)F 36709617 KKFHEWBIYDZYSQ-UHFFFAOYSA-N 433.817 6.255 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 38854609 PFEMSPRRYRPOBM-FQEVSTJZSA-N 433.596 5.233 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44845845 GBYAPRUIBHUHIT-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB O=C(CNC1(c2ccc(Cl)c(Cl)c2)CC1)Nc1ccc(Br)cc1F 48366854 BQFOYMGYDSTFEG-UHFFFAOYSA-N 432.120 5.112 0 40 IKAB CC(=O)N(c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1)c1ccccc1F 57296876 HMFSWXWWULVAGU-UHFFFAOYSA-N 445.563 6.188 0 40 IKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2cccc(Cl)c2)o1 57333647 UXWOGDKAWXVPMD-UHFFFAOYSA-N 429.863 5.733 0 40 IKAB C1CCc2c(sc3nc(C4CC4)nc(N4CCCC[C@@H]4c4nnc5n4CCCC5)c23)C1 95393715 PIGKIRVLGDZJPZ-QGZVFWFLSA-N 434.613 5.107 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@@H](O)C(C)(C)O 98214460 GRPNWQFOKYUABH-DLBGYGIOSA-N 444.744 8.771 0 40 IKAB biogenic,in-vitro COc1ccc(C(=O)N2C(=S)N(c3ccc(F)cc3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100034270 WYOPVRBANORFGY-SQJMNOBHSA-N 448.519 5.322 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 100426945 DQHZFFNZBCXZDN-CRICUBBOSA-N 432.907 6.503 0 40 IKAB CC(C)(CC(=O)NCc1ccc2c(c1)OCO2)CC(=O)N(c1ccccc1)c1ccccc1 199417525 KHABGEGIHINZDQ-UHFFFAOYSA-N 444.531 5.203 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NCCSCc1ccccc1 218902115 ZUKNJXJAQXLURW-UHFFFAOYSA-N 430.367 5.031 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222769961 PNTYUWGEGRUZNI-INIZCTEOSA-N 435.395 5.213 0 40 IKAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@H](C)C(=O)NCCC2=CCCCC2)cc1 222991631 IMDYZZQDFOQUBQ-JOCHJYFZSA-N 448.607 5.052 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223028134 ZYNUBEWPFQTCNH-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 223511212 NUPPNEKTQYMSAG-PKTZIBPZSA-N 444.585 5.394 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ncc(Cl)cc1Cl 224000095 YHVBAEWOGPHHTE-UHFFFAOYSA-N 428.816 6.230 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc2ccccc12 224303937 BYNMGAIDNLGZFZ-UHFFFAOYSA-N 427.500 5.997 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224540957 JIZLBRROJPLLDY-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224583208 BQEHDEACYMZREV-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1CSc1ccc(C)cc1 224664630 NWKGFHPTRIGKLS-UHFFFAOYSA-N 441.980 6.600 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224967537 JAVCDRWDMQIXNH-SANMLTNESA-N 436.640 5.365 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225158584 FZDAERQBEVIPAN-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225419811 RKMFWIKONVHICN-SANMLTNESA-N 446.591 5.115 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 225553339 HTVZOKUUQZLKOD-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225664151 SARCKGSJWYGOFB-GJZUVCINSA-N 430.633 5.501 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OC 225767850 UESUFPBWJSLAMJ-UHFFFAOYSA-N 425.525 5.111 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 247754715 WMAYNDHIDYBTEX-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB Fc1ccc(Nc2cccc(C3CCN(Cc4nc5cc(Cl)ccc5[nH]4)CC3)n2)nc1 257202103 AKLHXFLGURTJCO-UHFFFAOYSA-N 436.922 5.269 0 40 IKAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257259213 KXIYUPYJRNAVAB-IBGZPJMESA-N 444.959 5.033 0 40 IKAB COc1ccc(Br)cc1[C@@H]1C[C@](C)(NC(=O)C(C)C)[C@H]2CC[C@H](C)C[C@@H]2O1 257259534 KYURFDIETGVKFC-HRXUQERBSA-N 438.406 5.255 0 40 IKAB COc1cccc(C(=S)NCc2ccc3c(c2)OCO3)c1OCc1ccccc1Cl 408571219 AIIQSDYSBFDUKM-UHFFFAOYSA-N 441.936 5.122 0 40 IKAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)n2c(C)ccc2C)cc1 408686854 SMACZAYJTHNJOO-UHFFFAOYSA-N 431.319 5.082 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408695827 SVYDVSRVJYWGDZ-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc3ccccc23)C1=O 408807478 CZXBXWOKVWVNPF-FVEALFPGSA-N 427.593 6.894 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 408923812 GVAJAIAHEKADQZ-UHFFFAOYSA-N 441.621 7.524 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 409112019 JSOMKJVWVITHOM-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB O=C1S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 409192487 XUURQERGKWBZBV-LDADJPATSA-N 448.853 6.390 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)C1=O 409353150 HLSFTQWABFAIAQ-KGENOOAVSA-N 438.549 5.274 0 40 IKAB O=C(Nc1ccccc1)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 837045 WPTRPRGCLWVQGU-ZDUSSCGKSA-N 437.552 5.379 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCC2)cc1 874969 UMSDWEIIXHCOLR-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB O=C(CSc1nnc(CNc2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 923509 PONVSWUQRGSJSX-UHFFFAOYSA-N 432.524 5.053 0 40 IKAB CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1ccc2ccccc2c1 998168 VNYQFBORJCQSIA-RUZDIDTESA-N 437.499 5.150 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1353139 MICTYLUJIWRNPG-UHFFFAOYSA-N 431.923 5.724 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4ccccc4cc3O)n2C)cc1Cl 1426302 KYGSQASYJLMAIA-UHFFFAOYSA-N 438.940 5.034 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccccc2Cl)N2CCOCC2)c1C 1448776 ORHCYFBMDNVVMJ-HXUWFJFHSA-N 430.957 5.285 0 40 IKAB O=C1C[C@H]2CCCC[C@@H]2C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1563587 PDNQXLXVLOVBBG-RGSZASNESA-N 440.583 7.098 0 40 IKAB CSC1=Nc2sc3c(c2[C@H](SCC(=O)N[C@H](C)Cc2ccccc2)N1)CCCC3 2117778 CICZKHRHCRHJSN-VLIAUNLRSA-N 445.679 5.060 0 40 IKAB CCc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 2194903 YJBPAXNOMNBLQI-NSOVKSMOSA-N 440.612 6.455 0 40 IKAB CCOP(=O)(OCC)[C@H](Nc1ccc(Br)cc1)c1ccc(OC)cc1 2272116 KNRYXYGFXFAXBV-SFHVURJKSA-N 428.263 5.835 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cccc(Cl)c1 2446597 ZVLKCHSSXVLKBC-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cc(Cl)cc(Cl)c1 3248909 UISWGPRAYVNUHK-UHFFFAOYSA-N 441.270 5.597 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(Cl)c(Cl)cc1Cl 3335509 CSGPHCFPJXUHCE-UHFFFAOYSA-N 439.726 5.633 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2cn(C)c3ccccc23)sc2c1CCCC2 3581793 QPYRCUXPTZSFTA-AWEZNQCLSA-N 442.606 5.415 0 40 IKAB CCCC[C@H](CC)COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 3848704 XRTXNQDSOJASKD-INIZCTEOSA-N 429.358 6.761 0 40 IKAB biogenic CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 8395936 UDIXAHMHOUVQON-NEIHUHTASA-N 447.560 5.423 0 40 IKAB Cc1cc(F)ccc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 8442726 SOXDKMVCXMBQOU-UHFFFAOYSA-N 439.434 5.714 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1SCc1ccccc1F 8591746 SYCDATNDNQNUAJ-UHFFFAOYSA-N 431.535 5.667 0 40 IKAB Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccc(C)c(F)c4)oc4ccccc34)coc2c1 8611994 UKIUCGGJBDHMGU-UHFFFAOYSA-N 441.458 6.347 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@H]2c2ccccc2)cc1 8715772 QXNFDMKPBBJSAR-RUZDIDTESA-N 437.499 5.312 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1OCC 8794599 LXFFUYQFDOWVAV-UHFFFAOYSA-N 433.530 5.019 0 40 IKAB Cc1ccc([C@H](C)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C 8851914 PVXJMFGTTMULTE-SFHVURJKSA-N 438.597 5.630 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)CCCC2 8860948 OICWMGRZGOIHPA-HNNXBMFYSA-N 432.549 5.066 0 40 IKAB COc1ccc2nc(SCc3csc(CC(=O)Nc4cc(C)ccc4C)n3)[nH]c2c1 9126799 XFNOGGZDGCQMHR-UHFFFAOYSA-N 438.578 5.118 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccccc3OCC)c(O)c2)cc1 9187781 JUKFQVQTAYAXKB-UHFFFAOYSA-N 428.488 6.195 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5cccs5)o4)o3)cc2C1 9256807 HYUNKELBVUUNAF-GHMZBOCLSA-N 430.580 5.888 0 40 IKAB COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3cc(O)ccc3o2)cc1 9429198 YVVZZMVGTJUGCV-URGPHPNLSA-N 434.495 6.790 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CSc2nnc(NCc3ccccc3)s2)c1Cl 9586674 LGNKNQZWBZZVOG-UHFFFAOYSA-N 439.393 5.496 0 40 IKAB Clc1ccc(-c2ccc([C@@H]3Oc4ccccc4[C@H]4CC(c5cccs5)=NN34)o2)cc1 9593066 KWFMTDGEKLYMFB-DVECYGJZSA-N 432.932 6.904 0 40 IKAB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1ccccc1Sc1ccccc1 9603141 CBBFULRQFIISIE-UHFFFAOYSA-N 433.316 5.335 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 9790667 GKPUQZBEMOMFHM-HNNXBMFYSA-N 449.605 5.066 0 40 IKAB CCCc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 9833718 YEUAGLIWIJPDSI-UHFFFAOYSA-N 430.552 5.226 0 40 IKAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1c(Cl)cccc1C(F)(F)F 9987209 CMMSKPLTTLMEBX-CMDGGOBGSA-N 440.830 5.164 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(Br)s2)cs1 11617273 ZGVYGGODTMFSIS-UHFFFAOYSA-N 445.363 6.048 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)cc1 12160701 CKRQYAJBMKDSML-IHPCNDPISA-N 448.533 5.084 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12273865 ZVDQIOTTXNSNQS-QHCPKHFHSA-N 440.524 5.440 0 40 IKAB C[C@@H]1CCC[C@@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C 12465641 HASBTLLFIJYYAW-DNRQZRRGSA-N 436.596 5.358 0 40 IKAB CCOc1ccc2oc(C(=O)O[C@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 12635023 QOATVTHDSLYSPO-CYBMUJFWSA-N 435.398 5.343 0 40 IKAB Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 12650964 NDYBSVGBHIRAEE-CVEARBPZSA-N 447.431 6.825 0 40 IKAB COc1ccc2nc(N(Cc3ccc(Cl)cc3Cl)C(=O)c3cnccn3)sc2c1 12752869 MOURTYWGLACWGG-UHFFFAOYSA-N 445.331 5.249 0 40 IKAB Cc1ccc(C)c(CN(Cc2ccc(N3CCCC3=O)cc2)Cc2cc(C)ccc2C)c1 12800163 ZDKBEJCDURDIRP-UHFFFAOYSA-N 426.604 6.249 0 40 IKAB C[C@H](NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 12845238 RCIZBCLPLCMJIS-AWEZNQCLSA-N 435.471 5.505 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 12850806 HIFMEZWRVWHWBI-VOBQZIQPSA-N 444.457 5.157 0 40 IKAB Cc1noc(CSc2ccc(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)cc2)n1 12924010 DLPWEWFUKSWYMQ-HSZRJFAPSA-N 429.545 5.384 0 40 IKAB Cc1ccccc1C(=O)Nc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 13617871 YEWJXQJBNORDMU-UHFFFAOYSA-N 427.548 5.974 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2cn(C)c3ccccc23)n1C(C)C 13956181 OXJIFJZKTXUCPD-UHFFFAOYSA-N 448.592 5.522 0 40 IKAB COc1ccc(C(F)(F)F)cc1-c1nc(CSc2nnc(C)n2C2CC2)cs1 14169830 BDBODHJBZOHADZ-UHFFFAOYSA-N 426.489 5.365 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(/C(Cl)=C/c3ccc(OCC(=O)O)cc3)[nH]c(=O)c12 14241459 YBUUNEBNYUQZMG-HJPCULJESA-N 446.956 5.082 0 40 IKAB Cc1ccc(NCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2C)cc1 16769251 BLQDVZHSHGJCHZ-UHFFFAOYSA-N 428.561 5.515 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1Cc1ccco1 16806304 QAJZLOJSBMOEOY-VWLOTQADSA-N 449.462 5.924 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1sc2ccccc2c1Cl 17098211 XFGFJNCPWQLWDQ-UHFFFAOYSA-N 432.888 5.608 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2Cl)CC1 17099339 YWIQGHIUFNRTQN-UHFFFAOYSA-N 434.967 6.408 0 40 IKAB CCc1ccc(-n2sc3c(c2=S)-c2cc(OC)cc4c2N(C(=O)C4=O)C3(C)C)cc1 17100538 GYJZAYYBZPYCFW-UHFFFAOYSA-N 436.558 5.284 0 40 IKAB CCc1ccccc1NC(=O)/C=C/c1cc(Br)cc(Br)c1OC 17103020 BUSAINHAKLYPGZ-CMDGGOBGSA-N 439.147 5.435 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373081 FAPXDDXQNXURCY-FCHUYYIVSA-N 439.563 5.345 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C 19765627 JCNDAXSUNDQTOT-XMMPIXPASA-N 432.543 5.020 0 40 IKAB Cc1ccc(C(=O)c2cn(Cc3cccc(C(F)(F)F)c3)c3nc(C)ccc3c2=O)cc1 20132732 ZKMDHEFQKPXKMH-UHFFFAOYSA-N 436.433 5.311 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 20369090 QGNWYCQSEFQRES-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 23193560 XSBPSLHXSBFPQO-SSOJOUAXSA-N 448.950 5.392 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)OCc3ccc4ccccc4c3)c2)cc1 24522589 JTLWXQGNKTZOOV-UHFFFAOYSA-N 430.525 5.479 0 40 IKAB Cc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(c3cccc(Cl)c3)C2=O)cc1 25608638 MSGODNYHLBTAJC-LPYMAVHISA-N 436.939 6.465 0 40 IKAB CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3OC)c3ccccn23)cc1 31848339 SPRNBGHVSQAJTJ-UHFFFAOYSA-N 441.531 5.356 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 32753525 KTICSBPBYRXOTO-UHFFFAOYSA-N 448.832 5.460 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(OC)c(NC(=O)c3cccc(F)c3)c2)cc1)C(C)C 58050685 XIHHQLGVEZNBGT-UHFFFAOYSA-N 449.526 5.574 0 40 IKAB Cc1csc(Sc2ccc(NC(=O)N[C@@H](Cn3ccnc3)C(C)(C)C)c(C)c2)n1 58313347 NOVOUDWGPRITTC-SFHVURJKSA-N 429.615 5.344 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)sc1C 72375496 WTWPMQBTACEYKI-HXUWFJFHSA-N 435.528 5.496 0 40 IKAB c1ccc(COc2ccc(-c3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)cc2)cc1 80346236 QGADURUGLOAIRI-UHFFFAOYSA-N 442.588 5.900 0 40 IKAB OC1=C2Nc3ccc(Cl)cc3N=C2O[C@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 102073909 MUDAETZQJHMTBF-DEOSSOPVSA-N 443.890 6.397 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(O)=C2[C@@H]1c1ccccc1 104171807 TWLBOFDAPGQBON-WINIVTDRSA-N 426.491 6.396 0 40 IKAB Fc1c(Br)c(Br)c(F)c(Br)c1Br 196586589 ZRZJBNHRCBJBGN-UHFFFAOYSA-N 429.678 5.015 0 40 IKAB Cc1ccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 218992653 PXHGCJVDAWYCLW-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)c1 218992844 OKGXTEYZKUXVPX-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219391464 QYJLQLLCAIHHGM-KRWDZBQOSA-N 436.364 5.573 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(Cl)ccc1OCc1ccccc1 219764248 VQEIWKGKXAJENN-UHFFFAOYSA-N 434.923 5.407 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 222997375 RKOJCFXHYYKVPL-QFIPXVFZSA-N 440.653 5.179 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 223087984 ZUTFSLRAZTVSPN-PMACEKPBSA-N 444.616 5.008 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 223095379 RAJRKCXGSNLBQG-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223135894 ADGOSTBAXRLLII-OAQYLSRUSA-N 447.044 5.544 0 40 IKAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424289 BGGOJHRNCQGLPF-RUZDIDTESA-N 434.967 5.179 0 40 IKAB COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 223677430 AHAUGBKIWOFECX-UHFFFAOYSA-N 449.981 5.450 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)c1 224171551 YCYZRHSRPGKEEK-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224292072 JYKACQIBFAUPTF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 224330290 GIJYSOVURPOJHD-LOSJGSFVSA-N 439.588 5.066 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc2ccccc12 224631099 NDWCAEHNPUIDHS-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)o2)c1 224900108 LHRSPZMGMBYNRZ-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225015721 YBTYUWALIXKNSV-RTBURBONSA-N 447.044 5.463 0 40 IKAB CCOc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1OCC 225060292 AYOLWTCAQZMSFM-UHFFFAOYSA-N 428.381 5.454 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225088989 GMGJYJXEIRGLDV-SANMLTNESA-N 434.624 5.411 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)nn(-c3cccc(C(F)(F)F)c3)c2N)cc1OC 225182644 YBBFKRCWSUQRNZ-UHFFFAOYSA-N 431.336 5.176 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2cc3nc(-c4ccccc4)oc3nc2C)c1 225625996 PULONAHCPSREBC-UHFFFAOYSA-N 438.281 5.222 0 40 IKAB Cc1cccc(C2(NC(=S)Nc3ccc(CSc4ccccc4)cc3)CCCC2)c1 225855521 BOBJNBYDAQAFMQ-UHFFFAOYSA-N 432.658 7.043 0 40 IKAB C[C@@H](NC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1)c1ccccc1 225963675 IXRPEFBNPUWAMN-CQSZACIVSA-N 443.498 5.063 0 40 IKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257205073 AXNXEODHNNDOQH-UHFFFAOYSA-N 426.516 5.681 0 40 IKAB Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@@H]2CCCN2C2CCCCC2)nc1 257244957 INLXLADZMCDXMY-SANMLTNESA-N 430.596 5.131 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 257249441 JIJDXUZLRHGCGI-QFIPXVFZSA-N 435.487 5.200 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 408688344 WAUSYGCPKVOVGG-QFIPXVFZSA-N 433.356 6.090 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c1 408695277 PFIGTDJPIRGHMQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408697972 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CCOC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C 524733561 VSIMABRCJHYORA-GHTZIAJQSA-N 447.572 5.540 0 40 IKAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 680217540 PXNFGQCDVMZQGU-RPBOFIJWSA-N 439.519 5.039 0 40 IKAB CC(C)(C)c1cc(C(=O)NCC(C)(C)c2cccc(F)c2)n(Cc2ccc(F)cc2)n1 2037845341 AULFDQOIKARWHR-UHFFFAOYSA-N 425.523 5.215 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)c1 902389 DNJDOOHMGZEJTC-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3C)n2Cc2ccco2)cc1 923587 KSULDAXQNKETOM-UHFFFAOYSA-N 446.576 5.432 0 40 IKAB Cc1ccc([C@@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)o1 1353829 JOFRIQAXUJDZJZ-QHCPKHFHSA-N 432.451 5.025 0 40 IKAB O=c1c(Cc2ccccc2)c(O)n(-c2ccccc2)c(-c2ccccc2)[n+]1Cc1ccccc1 1587422 VEJMNQFRZHBEKA-UHFFFAOYSA-O 445.542 5.137 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccc(C)cc1 2247812 MJSKBPDWCJQFAD-VXKWHMMOSA-N 444.585 5.930 0 40 IKAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCS[C@H]1c1ccccc1Cl 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COc1ccc(N[C@H]2Oc3cc4c(cc3[C@@H](c3cccc(OC)c3OC)[C@@H]2C)OCO4)cc1 5741757 TVACMCACOWTLJP-IAVPUSHASA-N 449.503 5.040 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O 8587093 LKNLNPGKMHPIPX-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1 8754869 AWSBKEVDYMJHOG-LJQANCHMSA-N 445.950 5.598 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(Cl)c2)o1 8767962 VQTOZUFFNGWSIU-GHTZIAJQSA-N 443.728 6.246 0 40 IKAB c1ccc(CCSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 9069887 SBWDLGPGODPUQU-UHFFFAOYSA-N 439.609 6.730 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 9128812 JHOAOISIBJDZJL-UHFFFAOYSA-N 444.560 5.282 0 40 IKAB O=C(NCCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(-c2ccccc2)cc1 9129842 RHNFSSHNCVZNBR-UHFFFAOYSA-N 444.844 5.041 0 40 IKAB COc1ccccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl 9561423 AXTAHGYFRUVONW-FQEVSTJZSA-N 427.838 5.878 0 40 IKAB COc1ccc([C@@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c(OC)c1 9579836 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O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[C@@H]1CCCc2ccccc21 15910558 GEQUCKYWMAGPGP-HXUWFJFHSA-N 431.586 5.644 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 16611037 GYYPXJNDFGSTHF-QGZVFWFLSA-N 443.572 6.064 0 40 IKAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1C(=O)c2ccccc2C1=O 17095833 VXNANJBTKNIURN-UHFFFAOYSA-N 428.488 5.046 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc([C@H](C)CC)cc2)cc1 19644848 TXEHRTCMLQWKQK-HXUWFJFHSA-N 446.547 5.384 0 40 IKAB CCOc1ccccc1CCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20106029 IBTUDPUGCKWMAU-UHFFFAOYSA-N 428.576 5.401 0 40 IKAB CCc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969911 WFQDBYGMEAJOFS-XMMPIXPASA-N 426.495 5.665 0 40 IKAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1F 21352474 ISJDXXZOKRBAMV-CQSZACIVSA-N 441.572 5.154 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)N1CC=C(c3ccc(O)cc3)CC1)oc1ccccc12 25062179 RWLSIZBWMSKTIJ-KRWDZBQOSA-N 442.515 5.417 0 40 IKAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 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CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 96117408 WYKUGNAGJSYPGW-CZUORRHYSA-N 441.475 5.091 0 40 IKAB Fc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100841446 JYJRWSQZRBROFA-NRFANRHFSA-N 437.305 6.447 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)CC(c3cccs3)=Nc3cc(C)c(C)cc32)c(C)c1 101948094 ZLNYIUBUNVLJPX-UHFFFAOYSA-N 431.561 5.478 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 106688140 GJMLJUOVCPXDPG-STZFKDTASA-N 445.968 6.154 0 40 IKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(OCc4ccccc4)cc3)C2=O)cc1 106787809 BRNFMUCLEDSRPH-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB Clc1cccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)c1 107030584 SHNRISBYMFFBID-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1OC 214749104 QJMOUMWOLPKVAW-VCHYOVAHSA-N 438.332 5.637 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 218876652 TUAGXMSBMPITJH-SFHVURJKSA-N 432.358 5.370 0 40 IKAB COC(=O)c1cn(C(=O)c2ccc(OCCSc3ccccc3)cc2)c2ccccc12 222617554 BTGCLSCJMJNXOZ-UHFFFAOYSA-N 431.513 5.288 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222624139 JLEBYIGHNCBTSC-VGOFRKELSA-N 449.422 5.301 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 223302407 UCEOYOOHGWMXBH-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223406701 AJIJCGXXXJKIEO-SFHVURJKSA-N 449.422 5.568 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223848536 SILCAQFWSFVNHM-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224045683 MGPQTXNMAGOQKK-IBGZPJMESA-N 443.031 5.728 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1Cl 224482809 KEXAVWVWQCAACO-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224506038 VRXHCKDWDHVIHX-INIZCTEOSA-N 444.358 6.462 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1C(C)(C)C 224507892 RAYZJEYFOQQNNC-UHFFFAOYSA-N 447.575 5.900 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224540190 LXICBYHNKDSRSZ-MRXNPFEDSA-N 444.553 5.054 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)c(OC)c1 224930246 UBORUIZEJPCQTK-UHFFFAOYSA-N 448.906 5.609 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 225340935 OOVKKUJBEJOBBE-DHIUTWEWSA-N 434.609 5.602 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Cl 225506457 CLNUDSBYNUWFKW-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225558713 XZARCDJCSNNHAS-XUZZJYLKSA-N 440.653 5.508 0 40 IKAB CCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C(=O)OCC 225844692 FNOJITUIDWVJOP-UHFFFAOYSA-N 435.605 5.848 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)c1 225854354 CXFCGOWCKDGVCU-UHFFFAOYSA-N 431.443 6.298 0 40 IKAB O=C1CCC[C@]2(CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccc(F)c(F)c2)N1 257282219 OSXWJFDCTRLAAJ-RBJSKKJNSA-N 444.525 5.174 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC[C@]12C 257349520 ORGPIPGUNTVRMI-NWSJYUGNSA-N 430.629 6.086 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 257364921 FDBXCQIAUYDMBI-DLYUURAZSA-N 430.481 5.487 0 40 IKAB O=C(O)c1ccc(Cn2c(-c3ccc([N+](=O)[O-])cc3)csc2=Nc2ccccc2)cc1 334158900 KWYMJLDEXRIOFG-UHFFFAOYSA-N 431.473 5.104 0 40 IKAB O=C1CS[C@@H](c2cn(Cc3ccccc3F)c3ccccc23)N1c1ccc(Cl)cc1 408556611 KTUOXCADHBEKAT-DEOSSOPVSA-N 436.939 6.261 0 40 IKAB Clc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)c(Cl)c1 408613582 YLHLAAAPRXOWEZ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408693762 DCLSXCWUEOXWGO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2C)cc1 408699444 UGWPUTBBYGMELO-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc(Cl)cc1Cl 408714142 JPZFOFDVXVOTIQ-UHFFFAOYSA-N 448.350 5.378 0 40 IKAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1F 409087907 INONLPQFQOVMAV-STZFKDTASA-N 438.499 5.029 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc(Cl)c1 409114401 HEJNXAXRJJBCOR-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB S=C(c1cn(Cc2ccccc2Cl)c2ccc(Br)cc12)N1CCCCC1 409207717 YDTCTKLMXDFWSL-UHFFFAOYSA-N 447.829 6.267 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(CSCc3ccc(C)cc3)n2CC)cc1 409358353 FBHDUBUUHVBZQK-UHFFFAOYSA-N 440.638 5.333 0 40 IKAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccc3)CC2)C1 643588752 KCVJXNAXTYWUFJ-UHFFFAOYSA-N 448.651 5.672 0 40 IKAB O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 674978 BUTQXSFMIXYRCH-KOLCDFICSA-N 446.216 5.091 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1C 682426 VOTXVSSJWRKPAK-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(CNc3cccc(C)c3)n2-c2ccccc2)cc1 877727 UTBKYLPOESCSAK-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 890628 NVAYDLRFULOLAU-UHFFFAOYSA-N 447.482 5.519 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 1076372 SHDQAMIFOJALCO-IINUCZPTSA-N 437.539 5.086 0 40 IKAB COc1ccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1800445 FTKJFQJMWJRJIA-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB Cc1ccc(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 2061903 RFUBDIFMQMZFTM-GFCCVEGCSA-N 428.120 5.201 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c3cc12 2147139 FSMAEWDNFLFGTN-UHFFFAOYSA-N 430.287 6.034 0 40 IKAB biogenic CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)OC3 2183504 RMWNJBKNOYUEIG-UHFFFAOYSA-N 428.623 5.971 0 40 IKAB Fc1nc(F)c(Cl)c(Oc2cccc(Oc3c(F)c(F)nc(F)c3Cl)c2)c1F 2200344 GULVCGQMDDQNPE-UHFFFAOYSA-N 441.114 6.203 0 40 IKAB COc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1Cl 2257594 PNLMIOWPYYFNGE-UHFFFAOYSA-N 438.915 5.021 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)Nc3cccc4ccccc34)c3nc4ccccc4nc32)cc1 2296095 LVRIPYGZUXXING-UHFFFAOYSA-N 443.510 5.870 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1Cl 2343568 MSRKEPQSAJVRAW-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB Brc1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2349055 LSMUMXHAQMWLKW-UHFFFAOYSA-N 427.327 5.036 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2)cc1C 2430116 QWHBQPBAQDQFSW-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(Cl)cc2C)cc1 2434943 RSTLKVPWMBGUCT-UHFFFAOYSA-N 448.950 5.893 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1 2441059 SWNOQQBIPRWMRH-UHFFFAOYSA-N 434.590 5.267 0 40 IKAB CC(=O)N(CC[C@@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccc(F)cc1 2446406 RJMKQCYASVJMSQ-MHZLTWQESA-N 437.530 6.323 0 40 IKAB O=C(CCCSc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 2624733 NXIUZUPWLPQXJH-UHFFFAOYSA-N 447.535 5.741 0 40 IKAB Cc1ccc(Sc2c(COC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nn2C)cc1 3135099 LEGSGMYNYVXHIY-UHFFFAOYSA-N 448.975 6.557 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ccc(SC(F)F)cc2)c1C 3276512 AJRLPSRHCQHZPV-UHFFFAOYSA-N 430.476 5.216 0 40 IKAB CC1CCC2(CC1)NC(=O)N(Cc1cn(-c3ccccc3)nc1-c1ccc(Cl)cc1)C2=O 3384250 JUVYLXSDLZLHOT-UHFFFAOYSA-N 448.954 5.193 0 40 IKAB O=c1[nH]c2ccccc2n1CCCSc1ncnc2cc(-c3ccc(F)cc3)sc12 3446107 GJXKKLPFRZNGHG-UHFFFAOYSA-N 436.537 5.323 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1 3447477 KJAIPDVYMWRCBI-UHFFFAOYSA-N 430.529 5.279 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)oc2c1 3770758 KOSMSTXMPSFLKG-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCOc1ccc(C(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1OCC 6601846 ZXWCFTSFYDDXJI-UHFFFAOYSA-N 443.931 5.238 0 40 IKAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@H](c2ccc(Cl)cc2)N1CCc1ccccc1 8606544 JEJRMWYVHAWWRC-DEOSSOPVSA-N 429.907 5.224 0 40 IKAB aggregator C[C@@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 8749848 PHMCJPPPGLNKGP-RDTXWAMCSA-N 444.398 5.073 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 8758929 TUZMIZJRQJOMIA-LBPRGKRZSA-N 442.338 5.652 0 40 IKAB C[C@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc4ccccc4c2)c2ccccc23)C1 8765744 OOPFBTHVBBTLSJ-KRWDZBQOSA-N 441.552 6.665 0 40 IKAB O=C(Nc1ccc(COc2ccccc2)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 8834671 BEIJYKUXMJDGAG-UHFFFAOYSA-N 440.282 5.931 0 40 IKAB CCCOc1cccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)c1 8916533 JWFXRAUKUYVIFO-XKGHIZKOSA-N 445.584 6.612 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 8920831 ZFTYTBXTSCPOKI-BUXKBTBVSA-N 434.989 6.086 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N1Cc1ccccc1 9233208 QXKTZZKGTQRGCH-QRVIBDJDSA-N 445.496 5.231 0 40 IKAB CC(C)Sc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n12)CCCC3 9345934 OXQPMXUWPSVLII-UHFFFAOYSA-N 444.626 6.150 0 40 IKAB Cc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccc(Br)cc3)C2)cc1 9369614 CEHHIJXBWACYMT-OMHSXHNCSA-N 445.360 6.149 0 40 IKAB Cc1ccccc1C(=O)NCCn1cc(SCc2ccccc2Cl)c2ccccc21 9391835 VEYSAHYGYITPSS-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(Cl)c2)cc1C 9426166 MRXUPHVYMJYZEN-UHFFFAOYSA-N 428.941 5.597 0 40 IKAB COc1ccccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl 9561424 AXTAHGYFRUVONW-HXUWFJFHSA-N 427.838 5.878 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3sc(-c4ccsc4)nc3C)ccc2OC)cc1 9586585 IAJZIGUSAKQDMF-UHFFFAOYSA-N 436.558 6.117 0 40 IKAB CC1(C)N=C(SCC(=O)Nc2cc(Cl)ccc2Cl)C(c2ccc(Cl)cc2)=N1 9599213 BRWNBMYONZBJSW-UHFFFAOYSA-N 440.783 5.956 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1sc2ccccc2c1Cl 9639987 PDMZUJRUYZHNBA-UHFFFAOYSA-N 428.922 5.702 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 9713568 MDCZBFKQJJLFRA-KRWDZBQOSA-N 441.000 5.140 0 40 IKAB Cc1[nH]c(SCC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)nc1Cc1ccccc1 9730019 XOJFKJCBWLXHDZ-UHFFFAOYSA-N 435.549 5.081 0 40 IKAB COc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl 10037785 SADSGKQSOKGVBX-DEOSSOPVSA-N 449.938 5.267 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(ccc4ccccc43)s2)cc(OCC)c1OCC 11852937 IKALJZGDTWPGQG-UHFFFAOYSA-N 436.533 5.898 0 40 IKAB O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1CCc1ccccc1)CCS2 12140523 HVILCNOJLSVORM-UHFFFAOYSA-N 448.535 5.445 0 40 IKAB Cc1ccc(NC(=O)CNc2ccccc2CN(C)C2CCCCC2)c(Br)c1 12512884 LKCJZYAKPFDKBN-UHFFFAOYSA-N 444.417 5.573 0 40 IKAB Cc1ccsc1CN(C)Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S 12543845 FASJPRDDMVTNLP-UHFFFAOYSA-N 425.558 5.064 0 40 IKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)N(C)C(c3ccccc3)c3ccccc3)c2C)cc1 12551690 ULQPQPYJDYISPX-FMQUCBEESA-N 449.598 6.118 0 40 IKAB c1ccc(C(Sc2nnc(-c3cccs3)n2-c2ccccc2)c2ccccc2)cc1 12555610 RJQAOAYEGQPFOE-UHFFFAOYSA-N 425.582 6.878 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 12617504 DXUDXOSBBKSSCI-XNMGPUDCSA-N 430.523 6.637 0 40 IKAB CCCCn1ccnc1C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12623933 YQLKWSJYKQDZHN-UHFFFAOYSA-N 431.539 6.796 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 13063172 FIBBLHPEVNGBOJ-UHFFFAOYSA-N 447.903 6.024 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2cccc(F)c2)c2c[nH]c3ccccc23)cc1 13096159 IXBXYMZCCGWCHC-USXRGHEGSA-N 427.523 5.335 0 40 IKAB Cc1ccsc1-c1nnc(S[C@@H]2Cc3ccccc3C2=O)nc1-c1sccc1C 13566486 ZIPFVYWRGGWICI-MRXNPFEDSA-N 435.599 5.845 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1 14008832 AWXURDJGBYWFFF-GDLZYMKVSA-N 444.534 6.805 0 40 IKAB CC1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2Cl)CC1 14273682 PLYANJRCQHVCHU-UHFFFAOYSA-N 441.015 6.642 0 40 IKAB CCc1ccc2[nH]c(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)cc(=O)c2c1 15865358 DVAQFSNVGIHNQO-UHFFFAOYSA-N 448.592 5.214 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3cc2O)c2ccccc2)c1 16035371 DXAZWVCJZUAHOK-VWLOTQADSA-N 439.467 5.285 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)c4ccc(F)cc4)c(=O)c23)cc1 16266320 DYEXEKOGEDKTER-QGZVFWFLSA-N 449.551 5.182 0 40 IKAB O=C(COc1cccc2ccc(N3CCCCC3)nc12)Nc1ccc(OC(F)(F)F)cc1 17170605 FBIIOEKJFSPZPA-UHFFFAOYSA-N 445.441 5.141 0 40 IKAB CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 17418847 NHOFTFPUBOZDPJ-WMPKNSHKSA-N 441.527 5.412 0 40 IKAB CCCOc1ccccc1NC(=O)c1cc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19525173 IYLMMQBJHMGRMM-LJQANCHMSA-N 439.556 5.002 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)o1 19690526 PSXNMMKHNQATQE-UHFFFAOYSA-N 443.469 5.316 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20104278 SOFJMXDKCFSGGU-JOCHJYFZSA-N 448.415 6.354 0 40 IKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)c1ccc2c(c1)OCO2 20530550 IAVJCGRZILMQJF-UHFFFAOYSA-N 431.473 5.010 0 40 IKAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 21895105 HXFOTXKWCLAKCF-IBGZPJMESA-N 436.895 5.596 0 40 IKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(C(C)C)cc2)cc1OCC 22072971 DAAWJQBQHRECPB-UHFFFAOYSA-N 447.579 5.909 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3ccccc3S2)c1 23193962 GCVJNRLDMWNOIU-CJAUYULYSA-N 430.573 5.452 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cccc2ncccc12 23210320 HNTAPJYJERWSGX-LBPRGKRZSA-N 425.514 5.088 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1n[nH]c2ccccc12 25139518 MBUVPWVCJIEARO-UHFFFAOYSA-N 441.922 5.341 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116379 QKUZSNFXRGYMKH-UHFFFAOYSA-N 427.136 5.467 0 40 IKAB O=C(Oc1ccc(Cl)c2ccccc12)c1nn(Cc2ccccc2)c(=O)c2ccccc12 32958365 TULODTGMAYVQCM-UHFFFAOYSA-N 440.886 5.471 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)cc1 32985609 RYEYMFBBZIMWDW-UHFFFAOYSA-N 448.906 5.590 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N[C@@H]3CCCC[C@H]3C)nc2c1 35088393 DSJLZSYNJKFYHR-PMAPCBKXSA-N 434.605 6.086 0 40 IKAB CC(C)c1ccc(CNC(=O)c2nnn(-c3ccc(Cl)cc3)c2-c2cccnc2)cc1 38487498 NBLOWBWFDMSCAH-UHFFFAOYSA-N 431.927 5.036 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 40119379 YWQNFECAKVFZMO-XMMPIXPASA-N 441.487 5.200 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)cc1 41076870 LUTZJHQBIBZDCJ-UHFFFAOYSA-N 435.524 5.353 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(Cl)cc2)cc1 44087523 WGFLGMIQXFYRRM-UHFFFAOYSA-N 449.963 5.932 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44911885 SZNJAYIBPOWZPA-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44937099 RSIAANWTGKPVES-ZJSXRUAMSA-N 429.004 5.464 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 46012248 BMXSZHFZQPPXKN-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 46078907 JNCRTAOKQKHQCN-UHFFFAOYSA-N 447.922 5.144 0 40 IKAB FC(F)(F)c1cccc(-c2noc(-c3cc(-c4cccc(Br)c4)n[nH]3)n2)c1 46914133 JDONBBWWJBGPKQ-UHFFFAOYSA-N 435.203 5.575 0 40 IKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc2nsnc2c1 59294239 KQAXFOCFEWJKMY-UHFFFAOYSA-N 447.570 5.095 0 40 IKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cccc(Br)c2)cs1 72274672 GVBCXESYMSLXNP-UHFFFAOYSA-N 442.260 5.547 0 40 IKAB O=C(CN1CCC[C@@H]1CC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 79025775 SJDFKPZYKCYMQO-GFCCVEGCSA-N 431.772 5.384 0 40 IKAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c1 96183793 FLVZVMCAQPODIX-MUUNZHRXSA-N 442.603 5.638 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)Nc2ccccc2)cc1 97105089 AVWJONZZGZTIHK-DEOSSOPVSA-N 430.577 5.309 0 40 IKAB Clc1ncn(C23C[C@H]4C[C@@H](CC(c5nnc(C67CC8CC(CC(C8)C6)C7)o5)(C4)C2)C3)n1 102572272 USMACBIOJNEQKM-RUSVQZNGSA-N 439.991 5.029 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 106688382 OUPMTJUADFQLHC-JAIQZWGSSA-N 431.941 5.620 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(OCc2ccccc2)c1 218976910 ZPDDWEDJTBFCNG-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc2c(c1)CCCC2 223049639 VONQKZWMSUAOCN-INIZCTEOSA-N 428.381 5.310 0 40 IKAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)N[C@H](C)c4ccc(Cl)cc4)cn1c23 223108694 VIWXIEIXYRKNNY-NWDGAFQWSA-N 445.744 5.026 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223267231 KYWKQZLSNPAAKA-FQEVSTJZSA-N 440.603 5.389 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 223493046 AUTLOKRCUNKUON-JWQCQUIFSA-N 445.636 5.573 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 224022815 BMJUETWCAZLBJL-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1 224329634 UEORAWAGZJMNNJ-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COCCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224365434 QAGKRAHSXGCNKI-DQEYMECFSA-N 448.636 5.447 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cc(C)cc(C)c1 224531429 MZCOVXXGAXPGCY-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3OC)c2)cc1 224581721 YAZSWZZABCAAQS-UHFFFAOYSA-N 433.548 6.268 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1CSc1ccc(Cl)cc1 224676947 FZEYSPVKVNKINO-UHFFFAOYSA-N 425.981 6.303 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 224882554 STLFOQHPASTRLD-WOJBJXKFSA-N 442.559 5.462 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(Cl)cc3)o2)c1 224905448 XVODNSCCSPYVBN-MRXNPFEDSA-N 432.907 6.162 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccccc1 225013650 XPFKQPOUHHWCAT-LOSJGSFVSA-N 430.621 5.463 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1 225570147 IYMBEORVUWFCNO-UHFFFAOYSA-N 425.572 6.666 0 40 IKAB CCS(=O)(=O)N(C)c1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 225968597 FGCUUMMQRJMCDS-UHFFFAOYSA-N 444.940 5.171 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 227056182 KWLHNLSVNFCTMO-AUBMYDRESA-N 425.956 5.106 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609459 SFKSZNDXMPANHH-UDSQEJRCSA-N 444.700 7.030 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408574980 NNMHJZFHVLIIPI-UHFFFAOYSA-N 448.346 6.235 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1Cl 408649613 YOASCWRMVKKINO-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408667541 VROAYMIMWGCRKM-AGYDLCDTSA-N 434.322 5.093 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2cccc(C)c2)cc1 408698793 PONWJVVVHFOFKZ-UHFFFAOYSA-N 448.526 6.047 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc3ccccc23)C1=O 408807487 CZXBXWOKVWVNPF-VTKZFGDGSA-N 427.593 6.894 0 40 IKAB CCC(C)(C)c1ccc(OCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1 585265010 CCEZNJWWAAXWDZ-UHFFFAOYSA-N 449.566 7.051 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 674376 BTCGYLHYQQRGFT-SJORKVTESA-N 448.876 5.435 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@@H]1C 797194 QYWZBVFNLPJBNN-RXFWQSSRSA-N 442.559 6.009 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3n2)cc1 848692 JFBVSVQDWDIOLN-UHFFFAOYSA-N 430.817 5.629 0 40 IKAB COc1ccc2cc(CN(C(=S)Nc3ccc(C)cc3)C3CCCCC3)c(=O)[nH]c2c1 883136 PVENVSJDJBRUBC-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2cccc(Cl)c2)cc1Cl 1332327 PXSWBOWPIPQTNB-UHFFFAOYSA-N 445.371 6.285 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)cc1 1376451 IBZLNVMQHNCLTE-UHFFFAOYSA-N 448.592 5.757 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](CSc3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 1394095 DXGAUROYEGPQDM-FCHUYYIVSA-N 438.390 6.254 0 40 IKAB Cc1ccc(OCc2c(COc3ccc(Cl)cc3)sc3ccc(Cl)cc23)cc1 1631390 XBJRRJYJCNUWFD-UHFFFAOYSA-N 429.368 7.675 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 1944153 UGFSWFZQTDRHIS-UHFFFAOYSA-N 439.533 5.235 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 2059341 PFGBKJPOPHDVNF-STZFKDTASA-N 433.891 5.662 0 40 IKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N12 2182844 ANVCILZLLNXAGY-CNCHJIQNSA-N 441.383 6.501 0 40 IKAB Cc1ccccc1N1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)CC1 2350011 STTPAOAWHGLTSC-UHFFFAOYSA-N 425.580 5.329 0 40 IKAB COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccccc2F)cc1 2436064 ATPCIOPFCYOYJC-UHFFFAOYSA-N 427.451 5.653 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1Cl 2721847 DEWASAXORPBNBW-UHFFFAOYSA-N 449.912 5.852 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cnc(-c2ccccc2)nc1-c1ccccc1 3128533 UJEVDAOMJNQFPZ-UHFFFAOYSA-N 435.405 5.962 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 3190504 ZPMFOXYDBIWTPA-QUESLEJDSA-N 429.519 5.801 0 40 IKAB biogenic Cc1ccc(C(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccc(C)cc2)cc1 3292951 IPHVYMFXHBKDKK-VWLOTQADSA-N 427.573 5.968 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1C 3348603 MDUHTHBBKLNHGE-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)c1 3412716 UJFHQIXMRULNFM-LJQANCHMSA-N 441.984 5.369 0 40 IKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 4981600 ABUKBCAATVFRLI-NRLAXTHWSA-N 427.544 5.441 0 40 IKAB N=C1S/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1c1ccc(Cl)cc1Cl 8438752 QGPIPWHHNAOCER-WEYXMBDUSA-N 433.291 6.448 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CC[C@H](C)C2 8445621 UKPIOCXDFHNXNH-KRWDZBQOSA-N 432.589 5.406 0 40 IKAB O=C(CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 8772553 PKLKSGICBOZHAF-QHCPKHFHSA-N 440.568 6.290 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(CC(F)(F)F)[C@@H](C)C2CC2)cs1 8825780 SLMKOJBTFYXYNO-VNDWYCCKSA-N 437.487 5.030 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)cc1 8871455 LCVKBMCSKIPLLT-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 8973308 LVBWAEQWXWGWQZ-UHFFFAOYSA-N 430.460 5.249 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 8994501 JIYRBCZUNPHCQJ-AWEZNQCLSA-N 438.351 5.316 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 9056216 LYHFUGQFEABHHT-MRXNPFEDSA-N 432.574 6.068 0 40 IKAB COc1ccc(C2=NN(C(=O)CNc3ccc4ccccc4c3)[C@@H](c3ccco3)C2)cc1 9209227 ZDYYGCROXGUSGZ-XMMPIXPASA-N 425.488 5.231 0 40 IKAB CSc1nc(N2CCC(C)CC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9233047 ZJVCWYRETKLEKY-UHFFFAOYSA-N 436.606 5.946 0 40 IKAB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)sc2c1 9241894 ICVBOSBFSVHDEG-UHFFFAOYSA-N 430.558 5.710 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 9346129 ZJHYWCDBMLSWBM-LRDDRELGSA-N 439.965 5.310 0 40 IKAB COc1ccccc1C(=O)Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1 9366618 VLPYMMJCHIMHCB-UHFFFAOYSA-N 425.457 5.110 0 40 IKAB CCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1c(C)cccc1CC 9390969 KANGKTNHBXGAMX-UHFFFAOYSA-N 438.641 5.083 0 40 IKAB COc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1OC 9508268 HDEHJRYMXGWFTQ-UHFFFAOYSA-N 441.940 5.377 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)s2)c1C 9632312 XGZHPEBBOCEAIE-UHFFFAOYSA-N 439.393 5.936 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 10449657 FMZUTXTZVFVABC-QYBDOPJKSA-N 428.557 5.052 0 40 IKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@H](O)c1ccccc1 11713326 KEGLDSFGTKQDLR-IBGZPJMESA-N 431.989 5.697 0 40 IKAB Cc1ccccc1CSC1=NCCN1C(=O)c1c(-c2ccccc2Cl)noc1C 11757702 VTWLUDJNWVHKLK-UHFFFAOYSA-N 425.941 5.357 0 40 IKAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274476 FYPJNQYUCMDHFE-UHFFFAOYSA-N 447.857 5.429 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)c(Cl)c1 12414862 BVNQBNRALMVPQK-UHFFFAOYSA-N 435.954 5.273 0 40 IKAB CSc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 12527816 BTDIGDXUCFDLAD-UHFFFAOYSA-N 446.376 5.279 0 40 IKAB COc1cc2nc3n(c(=O)c2cc1OC)CCCC/C3=C\c1ccc(C(F)(F)F)cc1 12634098 CUUHSRUTUWOGSW-RVDMUPIBSA-N 430.426 5.157 0 40 IKAB CNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CC[C@H](C)C3 12636517 SLMKCERHLKGIGX-ZBNOLQPOSA-N 441.666 5.122 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2cccc(C)c2C)c2ccccc2)c1 12800323 QKXNLIOCEVAIJW-HSZRJFAPSA-N 443.576 5.368 0 40 IKAB Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)n2)cc1 12857590 OTLVTGNHUIVKCZ-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB O=C(CSc1nnc(NCc2ccco2)s1)N(c1ccccc1)C1CCCCC1 13128128 SABOHSRZHHQJPW-UHFFFAOYSA-N 428.583 5.201 0 40 IKAB Clc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1 13131572 PZZGIHNISHUEKF-UHFFFAOYSA-N 436.968 5.588 0 40 IKAB CCOC(=O)c1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 13512890 BPGLYQWARDDFNX-UHFFFAOYSA-N 439.577 5.132 0 40 IKAB COc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@H]3c2ccccc2OC)cc1 13570176 ALSOPIMPJQXBGB-NRFANRHFSA-N 425.488 5.680 0 40 IKAB COc1ccc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OCc1ccc(F)cc1 15086021 BYMDXERTMIJVOU-LJQANCHMSA-N 437.536 5.828 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 16194905 KDBCWPFMNPUVKE-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nnc(-c3nccc4ccccc34)o1)CCCC2 19581240 HBJPZXDVBUQFKM-LJQANCHMSA-N 428.492 5.042 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 19638886 JPYVJKRTXSFOGD-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 19947367 PNYDAWOJQRXGPS-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1ccccc1Cc1c(C)nc2c(-c3nc(-c4ccc(Cl)cc4)no3)cnn2c1C 21657838 JPUNVVVTCXPCQV-UHFFFAOYSA-N 429.911 5.616 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cc(C)ccc2C)cc1 22275453 VJJCMROIMUHFEE-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(Br)c1 22907774 NNWODLIVVPGVLC-HXUWFJFHSA-N 441.394 5.040 0 40 IKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)s2)c(=O)n(-c2ccccc2)n1C 24770684 JCKLERCQPYAUOV-FYWRMAATSA-N 449.963 5.518 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)N(Cc1cccnc1)Cc1ccco1 24831781 GIJBDACQKJIDNQ-UHFFFAOYSA-N 425.699 5.243 0 40 IKAB Cc1nc(CSc2ccc(C(=O)N(C)CC(=O)Nc3ccccc3Cl)cc2)cs1 31450135 OITATFQUWMPYGY-UHFFFAOYSA-N 445.997 5.108 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc3ccccc3c2)cc1OC 32115481 GLKWSQPWUXIHAI-UHFFFAOYSA-N 435.549 5.104 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)/C=C/c1ccc2ccccc2n1 32900600 DUIZEWMJALYXOZ-PCYKQNFTSA-N 435.527 5.720 0 40 IKAB N#CCn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 33646425 ISULHJONZNYEFV-GRSHGNNSSA-N 425.872 5.194 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 34896501 NORJLKQFPRGHIQ-KKSFZXQISA-N 431.985 5.484 0 40 IKAB Cc1ccccc1/N=C1/NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S1 35645253 RAONPCXPRLWUPC-HYARGMPZSA-N 434.948 6.119 0 40 IKAB COc1cc2nc(C(=O)N3CCC[C@@H](C)C3)cc(Nc3cc(C)cc(C)c3)c2cc1OC 48989324 AMYKHYNSNIMXGR-MRXNPFEDSA-N 433.552 5.485 0 40 IKAB COc1ccc(/C=C2\SC(Nc3cc(Cl)cc(Cl)c3)=NC2=S)c(OC)c1 51330651 VYICKMCPFYBPLP-BNCCVWRVSA-N 425.362 5.894 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nc3cc(C)[nH]c3c2=O)cc1 67237252 WSGZLGGYDFLNNO-UHFFFAOYSA-N 446.576 5.185 0 40 IKAB CC1(C)[C@@H](/C=C(/Cl)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c1cccc(Oc2ccccc2)c1 95908313 ZXQYGBMAQZUVMI-IYBCMTMPSA-N 449.856 6.544 0 40 IKAB in-vitro O=C(Nc1ccccc1NCCc1ccccc1)[C@H](c1ccccc1)N1CCCCC1=O 96011771 DBHOXSXCGZSBAQ-SANMLTNESA-N 427.548 5.034 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C 101189253 DVAXCWNRYMVXNE-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)c1 102090493 VAYQBXMHMLTKPN-WNLYKICVSA-N 437.495 5.108 0 40 IKAB Brc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1 106979173 MDQLUAVGAIPRHT-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccccc1Cl 108981415 PONCFFRMZKJHGB-VAWYXSNFSA-N 447.391 5.227 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@@H]2O 118926517 UVKLEPAXPBFJMQ-JHIGLWPESA-N 447.446 6.671 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(c3ccccc3F)S(C)(=O)=O)cc2)cc1Cl 222388265 IOELGLWHKWQNHK-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CSc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223078007 MIJJICDRIQMUOF-UHFFFAOYSA-N 436.964 5.907 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223092301 OXBMKLBNBZMZNG-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl 223322182 IUUHJCMGVQRGTI-IBGZPJMESA-N 441.786 5.133 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 223457085 PBPKKHBZERIYGH-RPWUZVMVSA-N 431.609 5.183 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC2CCCC2)cc1 224190878 MHDHFHAAXJICMM-SANMLTNESA-N 434.624 5.356 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 224212301 NDJCABHTVZENIR-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224213843 SWMKEPYDCHNYRE-DHIUTWEWSA-N 445.979 5.406 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 224262139 IBNHEOUTEJKWBR-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224451658 BUKZSEDQKPXUCM-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224658840 KZZIJDTWMGUGHT-QFIPXVFZSA-N 428.576 5.152 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(OCc2ccccc2)cc1 224891861 BEADPEODVULITI-UHFFFAOYSA-N 432.907 6.145 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225056433 LRNDROMVXAIUQX-NHCUHLMSSA-N 426.626 5.118 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225742130 DLMYSAMEYKVPMB-UHFFFAOYSA-N 446.676 5.993 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(CSc3ccccc3)cc2)C(C)C)c(C)c1 225764564 NQXMSWIFBBYUES-RUZDIDTESA-N 434.674 7.279 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778222 CYJQRFPRWYKPBM-UHFFFAOYSA-N 437.967 6.359 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c(C)c1 225865059 SBDTZPYXPFJHRA-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccccc2Cl)n1 225938665 WGRWGZKEDXBBCL-UHFFFAOYSA-N 443.926 5.016 0 40 IKAB Cc1cc(NC(=O)c2cccc3c(Br)cccc23)cc(Br)c1O 226242644 QYKQJMPHHIOCDT-UHFFFAOYSA-N 435.115 5.631 0 40 IKAB COC(=O)CC[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 257350640 YWMXOBLUILSCFX-FYQOMACHSA-N 446.628 5.345 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)c(C)c1 408561959 MAWVJJNVMBXKOG-LCUIJRPUSA-N 443.012 6.209 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cc2ccccc2o1 408615112 LXLZGCMVBIRFIK-UHFFFAOYSA-N 442.496 5.639 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409122198 YOERTNMMDTTZCN-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB S=C(c1cn(CCOc2ccccc2)c2ccc(Br)cc12)N1CCCCC1 409205407 IGCNGMQHLYFERX-UHFFFAOYSA-N 443.410 5.644 0 40 IKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccccc1 409349433 PVHDNVZELXWJKO-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 409410577 OGPLEKQXFJYMLY-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CCC1CCCCC1 643584637 RIGZIYJNHAQNJQ-QHCPKHFHSA-N 442.644 5.535 0 40 IKAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)Nc3cccs3)C[C@@H]1CCO2 1534646954 XZNJWLJFMLJIKC-ROUUACIJSA-N 427.570 5.153 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872783 PXAKEYWQBZWMOB-HOUBMWHVSA-N 426.528 5.900 0 40 IKAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)c1cc(Br)ccc1Cl 841446 PVYOKAVYEFXURH-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB COc1cc(Cn2c(C)nc3ccccc32)c(OC)cc1Cn1c(C)nc2ccccc21 1252530 SPMLUEJHERURBD-UHFFFAOYSA-N 426.520 5.117 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Nc1ccc(F)c(Cl)c1 1381410 PRBLCRNULIFVLR-UHFFFAOYSA-N 443.906 5.747 0 40 IKAB C[C@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(F)cc2)n1 1383656 SWYBCDWOHYZYQB-INIZCTEOSA-N 440.471 5.205 0 40 IKAB Cc1ccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 1410969 FORXLORKIVXNIN-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 1418682 WQDDPJOTKNWKAD-UHFFFAOYSA-N 429.564 5.655 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1 2078831 YGBPPPHKWCIKAT-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2)cc1 2088730 URUQWAPMLWAQNG-FVDSYPCUSA-N 426.472 5.403 0 40 IKAB CCCN(CCC)C(=O)CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 2191107 GYYBDLWCVQAMMP-UHFFFAOYSA-N 428.985 5.589 0 40 IKAB CCOc1cccc2c1N(C(=O)c1cccc(C)c1)C(C)(C)c1ssc(=S)c1-2 2259053 NYKIKLDUJKJBQR-UHFFFAOYSA-N 427.616 6.809 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2340087 UOIKKFFQSJYFQC-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 2342475 NEOWNVOKHYHUCA-UHFFFAOYSA-N 426.651 6.252 0 40 IKAB COc1cccc(-c2c(NC(=O)c3ccccc3C)n(-c3ccc(C)cc3)nc(C)c2=O)c1 2350285 ADPJHIYQHJPOBC-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB CN1c2ccccc2C(C)(C)[C@@]12C=Cc1cc(Br)cc(Br)c1O2 2420942 SGACMEJZUBOUBY-IBGZPJMESA-N 435.159 5.741 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1cc2ccccc2o1 2632957 GECGBVWESWCYAY-UHFFFAOYSA-N 435.524 6.311 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(O)cc1)N(Cc1ccccc1Cl)C3=O 2704197 PVXRCEXPQMRTLY-JOCHJYFZSA-N 431.875 5.206 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccccc5)CC4)ncnc32)c1 2714302 MGSOXECABIZBAX-UHFFFAOYSA-N 445.570 5.723 0 40 IKAB O=P1(Nc2ccc(Br)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164024 WFUKQXZTWNORND-UHFFFAOYSA-N 438.261 7.167 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)s2)sc(Cc2ccc3c(c2)OCO3)c1C 3236249 YIEFKDIACHFTCK-UHFFFAOYSA-N 443.546 5.175 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 6821466 FMHHFDNLURANAG-XHSDSOJGSA-N 440.897 5.602 0 40 IKAB Cc1ccccc1-n1c(C)c(C(=O)c2ccccc2)c2cc(OC(=O)c3ccccc3)ccc21 8400135 BEGLVTGAVFUSEB-UHFFFAOYSA-N 445.518 6.698 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(I)cc3)n2)cc1 8445445 ANLVDXIKBOGZLW-UHFFFAOYSA-N 447.319 6.996 0 40 IKAB CC1=NN(C(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)[C@@](O)(C(F)(F)F)C1 8455293 OCLVLMAKOKRTDH-SFHVURJKSA-N 447.240 5.045 0 40 IKAB COc1ccccc1-n1c(SCc2ncc(-c3ccccc3)o2)nnc1N1CCCCC1 8721362 COWYJNUPPCEKCD-UHFFFAOYSA-N 447.564 5.214 0 40 IKAB FC(F)(F)c1cccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)c1 8733574 STYCBDGUOJBXCJ-UHFFFAOYSA-N 433.351 7.732 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 8831973 BIXODEGQIBRJFE-UHFFFAOYSA-N 448.950 7.068 0 40 IKAB O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915451 AVIZHFHUSDWPGB-SFHVURJKSA-N 428.743 5.233 0 40 IKAB CSCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9170586 DOKMELCZELZQNO-CYBMUJFWSA-N 431.410 5.382 0 40 IKAB COc1ccc(-c2c(NC(=O)c3cccc(OC)c3)oc3ccc(Cl)cc3c2=O)cc1 9253567 XCWYFMOLJKYNCM-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 9288251 TZYXSTYPPMOHEX-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB COc1ccc([C@@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 9524264 VGKAWQQSHPWTKH-QHCPKHFHSA-N 427.529 5.703 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1c(F)cccc1F 9545871 CLLPRWITGLTISJ-UHFFFAOYSA-N 434.471 5.215 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2)cc1Cl 10119211 VJSXUTIAYNHQSI-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 12195694 WUCNIUYUQHBRSR-RCZVLFRGSA-N 436.458 5.614 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCC(Cc2ccccc2)CC1 12389044 BBSBFKWWJHBYNY-OAQYLSRUSA-N 427.342 5.011 0 40 IKAB Cc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12447768 WAUHMWKUQMKFPU-GKVSMKOHSA-N 448.975 5.517 0 40 IKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccc(N2CCCCC2)cc1 12524848 RCKHIZLTIRMSRP-UHFFFAOYSA-N 440.547 5.244 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 12623635 XOVVONPDTGRRNL-QGZVFWFLSA-N 437.923 5.665 0 40 IKAB CCOC(=O)c1nc(N(CCc2ccccc2)C(=O)c2cccc(Cl)c2)sc1C 12821280 BWDAUZUEZVVWSO-UHFFFAOYSA-N 428.941 5.171 0 40 IKAB CC1=C2C[C@@H]3[C@@H](CN4CCC(O)(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 12865885 SLTOBOOESMQMPQ-AFFJLAOCSA-N 444.015 5.082 0 40 IKAB biogenic Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 13041153 DGLQNVGNGNFEHQ-QGZVFWFLSA-N 447.387 6.251 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 13137956 VHHNXMODWABSCX-MHZLTWQESA-N 449.510 5.751 0 40 IKAB Cc1[nH]c2ccc(OCc3ccccc3)cc2c1CC(=O)Nc1cccc(C(F)(F)F)c1 13940686 GUZWAHZBWOFWDJ-UHFFFAOYSA-N 438.449 6.255 0 40 IKAB O=C(Cc1ccccc1)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 13955046 NCFCPORGCBDLNH-UHFFFAOYSA-N 448.478 5.461 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 14272561 WWGIJPGNCYYIJF-UHFFFAOYSA-N 444.943 7.032 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccccc3C(=O)c3ccccc3)n2)c1 14903493 GUCRLCRBLLBSGM-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB COc1ccc(Br)c([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)c1 15016861 YDUWLUHIHQNHKP-WIYYLYMNSA-N 441.350 5.762 0 40 IKAB Cc1cc2oc(=O)cc(COc3ncnc4c(Cl)cc(Cl)cc34)c2cc1C(C)C 16045802 PRLUWRKMDXGRAE-UHFFFAOYSA-N 429.303 6.054 0 40 IKAB CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Nc4ccc(Cl)cc4)nc3C2)cc1 16323185 UEEQZBWQVMRCCF-MRXNPFEDSA-N 448.954 5.984 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 17095940 JJHJXZMGHFDCJI-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1Cl 17097770 YRMDGTSNFPWVIR-HNNXBMFYSA-N 431.989 5.244 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cccc(OCc2ccccc2)c1 17099520 JUPDOECSKWMTLL-UHFFFAOYSA-N 435.483 6.030 0 40 IKAB COc1cc(CN(C(=O)Nc2ccc(Cl)c(Cl)c2)C2CC2)ccc1OC(F)F 17743681 SWPMTAGCTUQMBO-UHFFFAOYSA-N 431.266 5.800 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)s1 19632233 VXGXKPBCEDMZSK-UHHKXXHQSA-N 440.565 5.199 0 40 IKAB Cc1ccccc1N1CCN(CN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)CC1 19911650 YLPAHICPGZEJJC-HAVVHWLPSA-N 449.620 5.109 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(C(=O)OC2CCCCC2)cc1 20412203 IUGHAPJJFIPFKE-UHFFFAOYSA-N 435.564 6.241 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 20797435 PHLGLYCVBPGKGN-QFIPXVFZSA-N 430.895 5.323 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccccc3n2)c1 21156713 GGSFMZQFLZISBM-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22053502 XRZLTFFRQMBCCD-UHFFFAOYSA-N 441.331 5.995 0 40 IKAB Fc1ccccc1COc1ccc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 22073842 DWPRAQZIHURVDP-UHFFFAOYSA-N 444.388 6.226 0 40 IKAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1nc2ccc(F)cc2s1 22248874 NDWLQLAVUTXGFC-UHFFFAOYSA-N 438.431 5.128 0 40 IKAB CN(C)C(=O)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1 25544645 TXZSVTIZKHVCEO-UHFFFAOYSA-N 427.529 5.431 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1ccccc1 31082314 KNWMGAGRSYTTBF-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35264078 BDCVUPNNTNKHND-UHFFFAOYSA-N 432.907 5.690 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1CCCc1ccccc1)c1nc(C(C)(C)C)no1 37165032 WDMVUWJIUPIRKH-QGZVFWFLSA-N 448.592 5.563 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 40039503 SILPGWNFMFNNLZ-HSZRJFAPSA-N 444.560 5.147 0 40 IKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397461 QOGRGOCYMYDUNM-CKJXQJPGSA-N 434.971 5.924 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C 44856674 ZHTGTJLSOFPEFX-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB Cc1c(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cccc1-n1cnnc1 45920676 YLIDCEVYSIOZJG-UHFFFAOYSA-N 431.293 5.813 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 57487274 BWDMIVFMQWIRFW-UHFFFAOYSA-N 443.290 5.159 0 40 IKAB CCOC(=O)c1sc2nc(CNCc3ccccc3)nc(NCc3ccccc3)c2c1C 58450302 BAKNESPOPDRFJG-UHFFFAOYSA-N 446.576 5.078 0 40 IKAB O=S(=O)(c1cc(Cl)sc1Cl)N(Cc1cccnc1)c1ccc(Cl)cc1 59829482 WQFQDRJVVHKCBV-UHFFFAOYSA-N 433.769 5.499 0 40 IKAB CCOc1cccc([C@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 60184169 QMAWEPXKZGNILO-HNNXBMFYSA-N 446.473 5.299 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 62580981 UGHGFLMZBZYQDP-OAQYLSRUSA-N 436.625 5.406 0 40 IKAB Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2Cc2ccccc2)cc1 73686204 CBORQUJADWFDTM-UHFFFAOYSA-N 437.568 6.041 0 40 IKAB c1ccc(COc2cccc(-c3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)c2)cc1 80346225 SSZNRDYLQBIYPJ-UHFFFAOYSA-N 442.588 5.900 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302572 CDYLQCIGJAGOQL-RBBKRZOGSA-N 436.552 5.574 0 40 IKAB in-vitro CN1C/C(=C/c2ccc(SC(F)(F)F)cc2)c2nc3ccccc3c(C(=O)O)c2C1 95946723 VKEVKYGREYJSQC-UVTDQMKNSA-N 430.451 5.531 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)n1 100738895 XNUIYOGPHNNWBG-IQGASKDCSA-N 446.570 5.434 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1OCc1ccc(C)cc1 108984783 LGDIZXYUNDBIKY-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219766904 BHHSUNWBQKEMFC-UHFFFAOYSA-N 436.939 5.700 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 223085913 JSWIITSIDVVCJH-RTWAWAEBSA-N 437.638 5.251 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 223316668 LLOXZSYSTRCAAP-KCWPFWIISA-N 442.603 5.092 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223481094 PXQWZPAZJCSAER-SANMLTNESA-N 432.539 5.321 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 224019030 BQEVQKQKWRYRAR-JJWXFRNXSA-N 430.548 5.232 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccccc1 224179048 AVWJRCHSKCLYFV-VXKWHMMOSA-N 431.952 5.098 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1C 224280204 QICKLJMLQKTBMP-JWQCQUIFSA-N 425.557 6.136 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 224618182 HTJQFNGYBYNEQY-RUZDIDTESA-N 438.612 5.042 0 40 IKAB COc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224943333 XOXVTZLSJBCTHH-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225335903 IZCKTSFSRURGHR-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB O=C(/C=C/c1ccc(Br)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226363627 CLHPSSFDOUPXAY-KPKJPENVSA-N 442.765 6.945 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C1)CCCC2 257287792 PRNRTQGTORSXNU-NRFANRHFSA-N 432.539 5.612 0 40 IKAB CCOc1ccc(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)cc1CO 257308091 TVIZWZQOYWBGCR-UHFFFAOYSA-N 434.555 5.082 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@@H](C)C1 260818210 XUAOYKPJHRETSU-XLGIIRLISA-N 430.633 5.644 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)cc1Cl 408574638 MDGQNWXNJOLKFD-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1cccc(C(=S)NCCc2ccccc2)c1OCc1c(Cl)cccc1Cl 408577854 UWVPYGHMHOYXEF-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)C1=O 409191257 FNQABBPWMVSPHR-YBFXNURJSA-N 427.287 5.248 0 40 IKAB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1C(C)C 409234601 LVHLWWVBYGBAPT-VCHYOVAHSA-N 431.945 5.014 0 40 IKAB CC(C)CCNC(=O)CN1CCCC(C)(C)COc2ccccc2Oc2ncccc2C1 643575164 DNRCNHCIABDTQB-UHFFFAOYSA-N 439.600 5.037 0 40 IKAB CCN1CCCCCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582661 FRIQQNMAFXXPCI-VWNXMTODSA-N 426.601 5.041 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)c2C(N)=O)C1 670847 FFLVLJASOKJUSP-CQSZACIVSA-N 445.544 5.422 0 40 IKAB O=C(CSc1nnc2c3c4c(sc3ncn12)CCCC4)Nc1cccc2ccccc12 925297 BJTXQWFJSRFTJE-UHFFFAOYSA-N 445.573 5.102 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1C 1413983 ICGMSPTVEZGQPH-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB CCCOc1cc(C)c(C(=O)Oc2c(C(=O)N(C)C)cccc2-c2ccccc2)c(C)c1 1648501 JUJBEQDIEQECID-UHFFFAOYSA-N 431.532 5.680 0 40 IKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)c(C)c3)c2c1 2079807 JMAXIHBDNKZOOG-UHFFFAOYSA-N 445.360 6.787 0 40 IKAB COc1cccc(-n2nc3c(N4CCCC4)nnc(-c4ccccc4)c3c2-c2ccccc2)c1 2181188 MRYXJSKPURLZHG-UHFFFAOYSA-N 447.542 5.758 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1sc2cc(Cl)ccc2c1Cl 2196213 RUYWNDJBSBSWRU-UHFFFAOYSA-N 439.345 5.106 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2c(Cl)cccc2Cl)cc1 2336244 OKUHOUQDNJZSID-LYZGTLIUSA-N 442.323 6.003 0 40 IKAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cc(C)c(C)cc1C)c1ccccc12 2497178 IISKUYWRHRYRRX-UHFFFAOYSA-N 437.517 5.407 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N1CCCCC1 2625408 LBDYSZIITAVMHT-UHFFFAOYSA-N 447.391 5.346 0 40 IKAB Cc1sc2nc(COC(=O)c3cc(-c4cccs4)nc4ccccc34)[nH]c(=O)c2c1C 2650012 DKMORFNBVLQMKF-UHFFFAOYSA-N 447.541 5.235 0 40 IKAB CCCCCN(CCCCC)C(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2747214 VIDXRWHUPXWPAG-UHFFFAOYSA-N 429.029 7.439 0 40 IKAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 3011847 DPADNLRMRSKUJB-UYAOXDASSA-N 444.457 5.503 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3033263 VJLVCEZCZJSULS-UHFFFAOYSA-N 442.544 5.335 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN1c2ccccc2Sc2ccc(C(C)=O)cc21 3311654 DHCZBBWURGIJBV-UHFFFAOYSA-N 438.936 5.793 0 40 IKAB Cc1cccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 5047089 ICZXFVRJGVNCIX-IBGZPJMESA-N 425.554 5.479 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 6246620 OHCHQCGRMSJPJG-HXUWFJFHSA-N 442.588 5.979 0 40 IKAB Nc1cc2c(cc1Br)[C@H]1c3ccccc3[C@@H]2c2cc(Br)c(N)cc21 6475060 JDODGUUBJUQXKL-WOJBJXKFSA-N 442.154 5.363 0 40 IKAB Cc1cc2n(n1)[C@H](c1c(OCc3ccccc3)ccc3ccccc13)Nc1c(C)cccc1-2 8450558 YBJOEBRVPHPGLH-GDLZYMKVSA-N 431.539 6.872 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 8453046 GMEIPBILFXFVSQ-QFIPXVFZSA-N 435.553 5.050 0 40 IKAB Cc1cc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 8758641 VGLSUAXIPZWOBC-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(Cl)sc2Cl)c(C(=O)OCC)c1C 9404156 NDFIMLHROVTHCL-UHFFFAOYSA-N 436.338 5.031 0 40 IKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 9413670 DDEIGHHIERDCOY-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 9415786 PSLNYPCZQYYANS-KRWDZBQOSA-N 444.560 5.194 0 40 IKAB CCCCOc1ccc(NC(=O)CSCC(=O)c2ccc(Br)cc2)cc1 9434552 PRYOPYVAHWJKAI-UHFFFAOYSA-N 436.371 5.183 0 40 IKAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccc(Br)cc2)=N1 9599320 RSGPRHAPTNYUSX-NRFANRHFSA-N 444.398 5.457 0 40 IKAB Fc1cccc(-c2nnc([C@H](Nc3ccc(Cl)cc3)c3ccc(F)cc3Cl)o2)c1 9606645 UABTZILMFKFRTB-LJQANCHMSA-N 432.257 6.523 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 9614227 POHPAQZSWLGPTH-QHCPKHFHSA-N 429.520 5.548 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C(=O)NC2CC2)c2ccccc2)n1Cc1ccccc1 9647154 VOCODXFVFRYVKL-JOCHJYFZSA-N 444.560 5.007 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 9671607 KFSOASQLXNYPHA-DEOSSOPVSA-N 428.532 5.437 0 40 IKAB O=C(C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1)N1CCCCCC1 9953053 NZIVDDHRJWIXEI-UHFFFAOYSA-N 438.572 5.116 0 40 IKAB COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1OC 11865293 VGALJMOHIJBRBC-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB biogenic Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1 12493875 IDCCOHCQVTYUIH-IBGZPJMESA-N 434.609 5.802 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1 12555156 PCCIVZOMRFDMLE-ZEQKJWHPSA-N 432.589 6.950 0 40 IKAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N(Cc1cccnc1)Cc1ccco1 12561721 DZKVOOAUCJXDQE-UHFFFAOYSA-N 434.499 5.370 0 40 IKAB O=C(/N=c1\sccn1Cc1ccccc1Cl)c1cc(Br)ccc1Cl 12655568 HNILZGGJCJZCKU-FXBPSFAMSA-N 442.165 5.408 0 40 IKAB COc1cc(C(=O)O[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc(Cl)c1OC 12682285 REWUDBMNZQHTPU-NRFANRHFSA-N 439.895 5.202 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)CCC2 13127127 VOXLOEPNIDDLEV-QGZVFWFLSA-N 444.560 5.194 0 40 IKAB C[C@@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 13574233 CHLRAUZNHLSBRI-SNVBAGLBSA-N 428.867 5.145 0 40 IKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 13688032 WQTGOGSIXMUVQA-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC)cc1 13871522 MGHUXWZLQIMMDS-HNNXBMFYSA-N 444.988 5.385 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 13881554 FUFWWSJQAQRWPF-UHFFFAOYSA-N 435.361 5.724 0 40 IKAB Cc1c(NC(=O)COc2ccc(C3CCCCC3)cc2)cccc1-c1nc2ccccc2o1 14272350 PYHSONSUEGODIH-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)c1 17095884 HWZMULQSSMEYCM-UHFFFAOYSA-N 428.513 5.204 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 17096724 WLPASGHQVPGVMF-UHFFFAOYSA-N 429.973 6.131 0 40 IKAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC2CCCC2)C1 19448795 OLVYSDFABLVDBG-MUUNZHRXSA-N 447.623 5.005 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Br)cc1 19639196 UIQXDEGYZJECOA-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc(C)c1 19643748 SHJOIHDCCUPMDN-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 19644383 WRFARKDRJUIVEO-UHFFFAOYSA-N 446.375 6.566 0 40 IKAB O=C1C[C@@H](Sc2nc3ccccc3s2)C(=O)N1c1ccccc1Sc1ccccc1 19647987 BBXMXBRZOGQBOR-HXUWFJFHSA-N 448.594 5.872 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19690669 KSCVWFOZTSUESF-AREMUKBSSA-N 430.548 5.579 0 40 IKAB O=c1ccccc2c(/C=C/c3ccc(C(F)(F)F)cc3)nn(-c3cccc(Cl)c3)c12 19909738 FQKBECKXQLDBFZ-JLHYYAGUSA-N 426.825 6.228 0 40 IKAB Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289837 PKDJEGNHLXCHNX-UHFFFAOYSA-N 448.979 5.343 0 40 IKAB aggregator Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 20450386 PZRCZRCGEYSMEQ-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB Cc1ccc(CN2C(=O)[C@@]3(SCC(=O)N3c3cccc(Cl)c3)c3ccccc32)cc1 20573800 HZZWAUCISITDMW-DEOSSOPVSA-N 434.948 5.128 0 40 IKAB CCc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868204 ADIGHJZRIAVIRK-RUZDIDTESA-N 427.504 5.300 0 40 IKAB CCSc1nnc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)s1 21548643 FTLSAIKBSIPKAN-UHFFFAOYSA-N 441.603 6.082 0 40 IKAB CCOc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1OCc1ccccc1 22110351 QIRGIUJJLGUTIU-UHFFFAOYSA-N 432.549 5.329 0 40 IKAB Clc1ccc2nc(N3CCN(c4ccccc4Cl)CC3)cc(-c3ccccc3)c2c1 22386281 MFPFJGDDWNBJLL-UHFFFAOYSA-N 434.370 6.535 0 40 IKAB CCOc1cc(/C=C/C(=O)N(Cc2ccco2)Cc2cccs2)ccc1OC(F)F 24459736 NVGAECLFWMFWCB-CSKARUKUSA-N 433.476 5.583 0 40 IKAB Cc1c(Cl)cccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 28527598 IFPSRIFYCMZTDN-UHFFFAOYSA-N 444.366 5.858 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)CC1=O 31903476 PSLIEIIABIRZEL-NRFANRHFSA-N 439.559 5.539 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1 38196306 IJLJXPRTIZQEKH-NDENLUEZSA-N 447.874 5.221 0 40 IKAB O=C(COc1ccc2oc3ccccc3c2c1)Nc1ccccc1NC(=O)N1CCCC1 40119377 OEUSWZLGTVRSEQ-UHFFFAOYSA-N 429.476 5.231 0 40 IKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 44859754 GDDADAFPIWWYRB-RUZDIDTESA-N 429.564 6.325 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)ccc1Cl 44939643 DPMFVVSXHLAYLK-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 44949224 PGZRGHFJXOQYJN-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 57315627 IIONUCGKOBDJRJ-DTQAZKPQSA-N 434.495 6.969 0 40 IKAB COc1ccc(CCN(C)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1OC 58010621 HHKOZMZTRNTEKU-OALUTQOASA-N 436.577 5.064 0 40 IKAB CCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1C 58268792 UNMZXDOLXQFFLI-SANMLTNESA-N 433.555 6.606 0 40 IKAB CC(C)c1ccc(S(=O)(=O)c2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1 85568821 WDFXHBBQZZPFAS-UHFFFAOYSA-N 442.968 5.080 0 40 IKAB CCN(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@H](c1ccccc1)c1ccc(F)cc1 95454913 BCRUPRKQSASHOI-RUZDIDTESA-N 445.538 5.670 0 40 IKAB CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 95481740 QCAPEQMYXLSBQU-AJAJECMGSA-N 449.328 6.282 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4)no3)n2)cc1 95481888 XQMXRCLPBIEUFC-UHFFFAOYSA-N 434.521 5.220 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012661 JGEFPMUIBHSIMO-AWEZNQCLSA-N 430.217 5.041 0 40 IKAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)CCCc3ccccc3)CC2)c1 96183800 QJMCHZJWVNEAAO-LJAQVGFWSA-N 426.604 5.560 0 40 IKAB Cc1cc(-c2c(C)nn(-c3nc(-c4ccc(Cl)cc4)cs3)c2O)n(-c2ccccc2)n1 100920372 WMQGTLLZAVISHU-UHFFFAOYSA-N 447.951 5.824 0 40 IKAB CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)c(OC)c1)c1c(ccc3ccccc13)O2 101169522 FGDHBYCPKLGWOR-QHCPKHFHSA-N 441.531 5.619 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)c(C)c3)c2c1 101309238 BVRIWTMCBLHVIA-UHFFFAOYSA-N 432.545 5.745 0 40 IKAB CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2cc(C)ccc21 101470849 VUOHDNZAZMKSPQ-HSZRJFAPSA-N 437.543 5.085 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 101998946 MVWPTZPDKAOHEF-VWLOTQADSA-N 436.983 7.179 0 40 IKAB Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2cc(F)ccc2Cl)cc1 106937286 WHKFWYWQPHNMPH-UNMCSNQZSA-N 431.269 6.514 0 40 IKAB CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)cc1Cl 108062678 IQMZYSVQDLWCEF-UHFFFAOYSA-N 428.772 6.130 0 40 IKAB CC1([C@H]2CC[C@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6CCCCO6)CC[C@]5(C)[C@H]4CC[C@@]32C)OCCO1 118918246 DNWMPSZEZKPTQK-APGJSSKUSA-N 444.656 6.240 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 166668824 NBEOZPNIIBCAAS-UHFFFAOYSA-N 449.506 5.954 0 40 IKAB Cc1ccccc1[C@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 216446008 FISUHJJZUPGYQH-AREMUKBSSA-N 429.541 5.855 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)cc1Cl 223731165 ZTAWOAHQEBHVFC-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 223897518 KTEHDDXWHGTORP-AWEZNQCLSA-N 442.924 5.033 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 224182009 NGKZJUUQJJLESS-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224183365 GJSRQSAAWYWFCG-ZEQRLZLVSA-N 445.975 6.481 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(C)c1 224385005 VGQOCLHKMMYAFA-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cccc(Cl)c1 224490564 VMJZWDNBPILFHW-UHFFFAOYSA-N 439.895 5.341 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cc(C)cc(C)c1C 224609662 YSBPBZZEVHQNHK-UHFFFAOYSA-N 437.967 6.804 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225091784 SCIVPJSZVYVJHP-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225279035 UHKSVVOPXHLWQR-RUZDIDTESA-N 434.555 5.245 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 225554099 ITMJVRZXAFOAOW-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H]3c4cc(Br)ccc4O[C@@]2(C)[C@H]3C)cc1 244933154 CDYJOPUBMFPEPU-UOXRKKOCSA-N 433.371 5.028 0 40 IKAB S=C(NCc1ccccc1Cl)c1cc(Br)ccc1OCc1ccccc1 408576025 PJECYVQPKVTJQD-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 408642371 OGYQDJZXAMTVPA-LJQANCHMSA-N 430.504 5.178 0 40 IKAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647360 WXYGQIUKEFXLIC-LJQANCHMSA-N 430.504 5.096 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 408818583 XHSCPYMUNALICH-NBAINJDCSA-N 433.641 7.038 0 40 IKAB COc1ccc(OC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 408979824 SNDCWUOYTZOOTB-UHFFFAOYSA-N 444.537 6.315 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)c1 409007992 UBCYTTBNHUNZBO-GFCCVEGCSA-N 438.336 5.556 0 40 IKAB CCCOc1c(I)cc(CNc2cccc(C)c2C)cc1OC 409117221 LCYAVZKKWUULHE-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB Cc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1C 409180265 XLTBXUWIJJWHHS-UHFFFAOYSA-N 443.546 7.465 0 40 IKAB O=C(N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2)C1(c2ccc(Cl)cc2)CCC1 585261844 XEGAOZHZTQHXFY-FQEVSTJZSA-N 443.946 5.130 0 40 IKAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(O)nc(-c5ccccc5)n4)cc3cc21 618256446 ITFTYBHVTPCTFJ-OAHLLOKOSA-N 427.504 5.345 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1547212315 AYBBUNORLTWYBV-MMLJQFANSA-N 443.441 5.697 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N[C@@H](C)c3ccccc3)n2)cc1 890700 GNQGDNUEYCQBKH-AWEZNQCLSA-N 447.482 5.141 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)OCO4)cc1C 930047 QFSZSPBWWKRFFN-UHFFFAOYSA-N 437.565 5.157 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 1333634 YEWIGNLLIPWAJT-DEOSSOPVSA-N 436.577 5.334 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(OCc2ccccc2)cc1 1839012 MKAYWUYQKXLJDE-UHFFFAOYSA-N 437.521 5.141 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc1C 2192139 VXKOSMLBSLRGGO-UHFFFAOYSA-N 432.932 7.232 0 40 IKAB Cc1cccc(OP(=O)(Oc2cccc(C)c2)O[C@H](c2ccccc2)C(F)(F)F)c1 2270649 BUHMPMCPHRPNBN-OAQYLSRUSA-N 436.366 7.190 0 40 IKAB Clc1ccc2c(c1)[C@@]1(c3ccccc3)Nc3ccc(Cl)cc3[C@@]1(c1ccccc1)N2 2331904 BWPUWJJVPMKKOU-CLJLJLNGSA-N 429.350 7.032 0 40 IKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C(C)C)cc1 2382232 NPUUTMCKYKDDCB-HVNZXBJASA-N 436.536 6.627 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2397401 IZSAGAZPYRTUDK-UHFFFAOYSA-N 434.542 5.532 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2418174 WCWGAKQISRQMAT-LJQANCHMSA-N 436.920 5.776 0 40 IKAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1C 2693152 HIAFCWRAHJUJRR-UHFFFAOYSA-N 437.467 5.194 0 40 IKAB O=C(NCc1ccccc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 2950952 IJYKINDTCHVWHF-UHFFFAOYSA-N 427.554 6.017 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 3190466 NXEUDPLQPFWHHL-ZKKFKWFVSA-N 434.322 5.564 0 40 IKAB biogenic O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1c[nH]c2ccccc12 3291415 YIXASRCANARVOD-UHFFFAOYSA-N 436.968 6.170 0 40 IKAB CCNC(=S)Nc1ccccc1CC(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 3351337 WHVXSHPBMLFBDC-UHFFFAOYSA-N 438.600 6.330 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1 3368278 CMILICHFDQFFCC-UHFFFAOYSA-N 439.353 6.013 0 40 IKAB Cc1cccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)c1 3659106 IKZVFRGCHXXHCZ-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)cc1C 3660983 DHKWVIFKSMNSPW-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cc(C2(c3cc(C)c(O)cc3C(C)C)OC(=O)c3ccccc32)c(C(C)C)cc1O 5224199 POLMEVSSJQXXES-UHFFFAOYSA-N 430.544 6.424 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 5761091 NGEVNHYPVVOXPB-RZZBNZQCSA-N 438.696 7.902 0 40 IKAB in-vitro COc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 6246580 YMTVHWDXMDVICL-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@](O)(c2ccc(Br)cc2)C1 6471520 TYDDVCRBJULCPG-JOCHJYFZSA-N 429.358 5.204 0 40 IKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(Cl)c2)cc1 6472297 KYZNHYVAHJUNOF-OAQYLSRUSA-N 438.877 5.682 0 40 IKAB COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 8386532 MXIRVGLZZCTMMC-OPIFHRFKSA-N 433.507 5.119 0 40 IKAB c1csc(C(c2cccs2)c2ccc(C(c3cccs3)c3cccs3)s2)c1 8431269 OVXUSLRBHZDMIR-UHFFFAOYSA-N 440.705 8.355 0 40 IKAB C[C@@]12CC3CC(NCc4c(OCc5ccccc5)ccc5ccccc45)(C1)C[C@](C)(C3)C2 8534501 XXPWLAVNFOKBKC-IIKNGSQCSA-N 425.616 7.257 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Br)cc2)cc1 8733616 ZEZXHEUHCZFXPJ-UHFFFAOYSA-N 443.728 5.757 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8755753 IVVUALNNQBCQEA-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 8832459 GFPVKCSJMLIFPT-CYBMUJFWSA-N 449.016 5.448 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2cccc(OCC)c2o1 8960796 HFXUTLQTJXOQEB-UHFFFAOYSA-N 435.501 5.989 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 9402080 PODUGIDRBBRHHJ-UHFFFAOYSA-N 446.557 5.547 0 40 IKAB C[C@@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 9404361 ZMXYNUSBNVWFHP-SNVBAGLBSA-N 432.983 5.588 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(C(=O)c4ccccc4)cc2)CSC3)cc1 9404500 MGUVTVPUDSRSFO-UHFFFAOYSA-N 439.540 5.411 0 40 IKAB COc1ccc([C@@H](NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 9591212 KDGXUNBHOGWWOB-DEOSSOPVSA-N 432.520 5.406 0 40 IKAB C[C@@H]1Sc2nnc(Cc3cccc4ccccc34)n2N=C1c1ccc(OC(F)F)cc1 9662414 SMPNZSGRXWMGBF-AWEZNQCLSA-N 436.487 5.370 0 40 IKAB CCn1c(S[C@@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9684664 LVBQCQVMJHDCAD-QGZVFWFLSA-N 435.380 5.193 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-n2cccc2)cc1 9707836 SCLFJTZVZYWXIX-UHFFFAOYSA-N 437.594 5.193 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc(Cl)c1Cl 9799874 GVDCKUPKGMKUDV-UHFFFAOYSA-N 439.393 5.303 0 40 IKAB Cc1nnc(SCC(=O)N(Cc2ccc(Cl)cc2)C23CC4CC(CC(C4)C2)C3)s1 12768691 MWTBJGJRBYMDLX-UHFFFAOYSA-N 448.057 5.590 0 40 IKAB CSc1ccc(CN(C)Cc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)cc1 12892981 MCIUWLVOHKYHHF-UHFFFAOYSA-N 442.009 5.659 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)CCC4)[C@H]2c2cccs2)cc1 13040494 RWRUBUFZHDDDPX-DHLKQENFSA-N 430.573 5.668 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)CCc1ccc(-c2ccccc2)o1 13100422 IRJCMNZBCHCYMB-UHFFFAOYSA-N 449.938 6.020 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)n1CC(C)C 13512466 NTNUIMTZCNBRGE-UHFFFAOYSA-N 438.475 5.252 0 40 IKAB Cc1nn(Cc2ccccc2)c2c1[C@H](c1ccc(Br)cc1)SCC(O)=N2 13805519 SCDIEBCNBUCDOC-IBGZPJMESA-N 428.355 5.427 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4ccc(F)cc4)cc3-c3ccc(F)cc3)n2)cc1 13960799 DBZJDFBECIKEFO-UHFFFAOYSA-N 445.494 6.617 0 40 IKAB Cc1nc(COc2ccccc2C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 14731796 CAMZFMYHIOGMDJ-UHFFFAOYSA-N 445.319 5.247 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1ccsc1)CC(=O)N2 15106614 LXFJGNSIUJJBCF-CQSZACIVSA-N 436.480 5.863 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3ccc(C)c(Cl)c3)nc2c1 15865442 WADSKCBFWUQFIF-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccccc4)cc2)N3)C1 15946367 GCEMVDDEIAMELI-JOCHJYFZSA-N 447.560 5.163 0 40 IKAB CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3C)nccn2n1 16842369 KSGOBWGYMSIOJN-UHFFFAOYSA-N 446.576 5.614 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21 17280163 GOVFBOBMRDNMCW-HNNXBMFYSA-N 445.592 5.738 0 40 IKAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 19570224 MHRZWIRKIZLSMH-IBGZPJMESA-N 446.551 5.134 0 40 IKAB CC[C@@H](NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1)C12CC3CC(CC(C3)C1)C2 19635206 MKUUXNLYKDNHST-OIBAJTQMSA-N 442.003 5.606 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20107377 XPCHVEIYBCNNBK-DCFHFQCYSA-N 444.600 5.303 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20489883 KVQMDIPUWNFRPK-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3o2)CC1 21915545 JBOGMJQVPJDTCB-UHFFFAOYSA-N 442.359 5.885 0 40 IKAB O=C(CSc1nnc(-c2cc(Cl)sc2Cl)c(O)n1)c1ccc(Cl)cc1 24747891 MFFPLJYFADPIAT-UHFFFAOYSA-N 432.741 5.241 0 40 IKAB O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1-c1ncc(-c2ccccc2)o1 25666264 MJVCMJFMSYHJSB-UHFFFAOYSA-N 434.499 5.183 0 40 IKAB COc1ccc(CN(C(=O)c2oc3cc(C)c(C)cc3c2C)c2ccccn2)cc1OC 28287316 VHPOFXVOLOLDAI-UHFFFAOYSA-N 430.504 5.617 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)cc1C 33446412 BGGVTWRUIJHYJN-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB COc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 33651281 PYMJMIWKQFDNCO-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB COc1ccc(-c2csc(C(=O)Nc3cc(OC)ccc3OC)c2-n2cccc2)cc1 38654675 YSHQAVWDTJBKHT-UHFFFAOYSA-N 434.517 5.484 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(F)cc1 41076868 MULTVLTVFRKAPB-UHFFFAOYSA-N 435.524 5.272 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 44903285 XVRRTOXJSQONQF-UHFFFAOYSA-N 437.630 5.829 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccccc3Cl)n2)cc1 46012206 AXAPCUOBRCGGLJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)n2)cc1 46012209 HWPGCNYCWJAIBT-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1cccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)c1 49001855 IUFRDZKQJMQOKW-UHFFFAOYSA-N 441.516 5.441 0 40 IKAB COc1cccc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c1 57327417 YQRRFRZFWIMLCO-UHFFFAOYSA-N 427.500 5.053 0 40 IKAB CC(C)(C)OC(=O)N1CCC(C(=O)N[C@@H](Cc2cccc(F)c2)c2cccc(F)c2)CC1 58173638 QVAHQQLDJIPAIJ-QFIPXVFZSA-N 444.522 5.012 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1cccc(Cl)c1 59418219 BLIIJPADLDJPHN-CIAFOILYSA-N 439.895 6.299 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1 59489564 RDNQNMKAQVXPJK-UHFFFAOYSA-N 438.600 7.005 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 67297183 TYCHCXVQSSOQQK-SGEDCAFJSA-N 440.499 5.711 0 40 IKAB Cc1cc(C)n(-c2cccc(CN3CCC[C@H]3Cc3c(C(N)=O)sc4ccccc34)c2)n1 72370308 OJBNWHNIDVRPTC-FQEVSTJZSA-N 444.604 5.010 0 40 IKAB O=C(Nc1ccc(Oc2nncc3ccccc23)cc1)c1csc(-c2ccccn2)n1 95996766 BVNKCZYRSWWVDM-UHFFFAOYSA-N 425.473 5.193 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102639878 JZHYJIYCLMFOKD-RSKVWTTASA-N 426.604 6.754 0 40 IKAB C[C@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 102817362 POPRPECCKAJPEI-HNBVOPMISA-N 438.572 5.681 0 40 IKAB C[C@@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc(F)cc2)n1C 106382017 DYZYSUAZINCIAS-LLVKDONJSA-N 439.343 5.044 0 40 IKAB Clc1ccc(NCc2cc(Cl)ccc2OCc2ccccc2Cl)c(Cl)c1 106971632 DQAVVWSFWFKZQR-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 108232890 RWLWICNYTWKBGV-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 222657752 VMRZSJYVSBZFHU-UIAACRFSSA-N 431.989 5.510 0 40 IKAB CCOc1ccc(Br)cc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222669255 VVKUIRPLTNWJSY-MDASCCDHSA-N 432.387 5.222 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 223024512 RQANKQOPLQZSBP-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 223180545 HATMJGZYPBFAFB-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CCc1cccc(CC)c1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 224116306 RMFIFYCPBYVBPD-JWGURIENSA-N 434.561 5.291 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 224233956 DJEAMTDWIQWEAJ-IBGZPJMESA-N 447.044 5.153 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 224457059 CTVKSMXDDASFJZ-YADHBBJMSA-N 431.952 5.098 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 224811918 XIGOAIPHQQNLMI-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224950659 JKHPJPSIXCQAFS-UHFFFAOYSA-N 447.332 6.586 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 224984881 HUDMQTVCUSLXHK-UHFFFAOYSA-N 432.800 5.854 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225588373 ZLTJNWULSNEGNI-PGRDOPGGSA-N 447.044 5.544 0 40 IKAB Cc1ccc(SCCNC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1 225851926 AZSDRFGQQAJACH-JWGURIENSA-N 436.602 5.044 0 40 IKAB COc1cccc(C(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)c1OC 257307160 SXLMXNXKEFSBRE-IBGZPJMESA-N 431.536 5.089 0 40 IKAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408573812 KTAUWMURPSJMHV-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(C)c2)cc1 408699657 VMNHZXSQTVBOSF-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 408871405 YAHYECYIIXTVFI-CHHVJCJISA-N 428.724 5.892 0 40 IKAB CCCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OC 409121640 XJEVCWZKGPZMRE-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409171401 APUODCJHUGQHJH-BSQODDMMSA-N 436.599 7.359 0 40 IKAB C[C@@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(NC(=O)Cc2ccccc2F)c1 531754654 CMXBBGIWPIESNY-GOSISDBHSA-N 428.511 5.248 0 40 IKAB C[C@H](CCN1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1)c1ccccc1 585166491 NRAQHESSIHTZDQ-JOCHJYFZSA-N 427.592 5.052 0 40 IKAB Cc1cc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)ccc1Br 661144 LOLJECNXHBPUHS-UHFFFAOYSA-N 439.338 5.264 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1 904269 QJWRYCYHVIZPBO-UHFFFAOYSA-N 447.539 5.070 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@H](C(C)C)OC3 1821524 LTEQVPMEEPTHRJ-GOSISDBHSA-N 444.622 5.445 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccc(Cl)cc1 2062574 ZWYPSROQIJCYMM-UHFFFAOYSA-N 434.007 6.520 0 40 IKAB C[C@@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 2249537 JCYWTLINEZPBDK-UWJYYQICSA-N 438.365 5.424 0 40 IKAB Cc1cc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCCC5)ccc1Br 2395232 RMIZAIGBAILBNX-UHFFFAOYSA-N 426.310 5.099 0 40 IKAB CCCCCOC(=O)c1c(N)n(-c2ccc(CCCC)cc2)c2nc3ccccc3nc12 2407832 HEBFAYXZKVMJCZ-UHFFFAOYSA-N 430.552 5.846 0 40 IKAB CCOc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O 2449020 GXVAUZBQMIAKEY-UHFFFAOYSA-N 440.854 6.356 0 40 IKAB biogenic Cc1cc(C)c(-c2csc(NC(=O)COC(=O)/C=C/c3ccc(Cl)cc3)n2)c(C)c1 2631442 RUDZTRSZAACSFP-RMKNXTFCSA-N 440.952 5.584 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)c(C)c1 3294556 DMABZGYZAYRHFO-UHFFFAOYSA-N 440.638 5.818 0 40 IKAB Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 3658704 BUIGWTMDMQLFNW-UHFFFAOYSA-N 429.495 6.658 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 4079183 MFXRPKFYWKDYMI-FKNLGNRKSA-N 444.637 7.499 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 6280227 HQTZWOCZEUZUOE-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB COc1ccc(-c2c3c(nc4sc(C(=O)c5cccc(OC)c5)c(N)c24)CCCC3)cc1 8657475 RFMQWULJDFAUTD-UHFFFAOYSA-N 444.556 5.673 0 40 IKAB CN(C(=O)c1cccc(Nc2ccc(-c3ccc4c(c3)OCCO4)nn2)c1)C1CCCCC1 8680010 ALYAOXJHOKHNAP-UHFFFAOYSA-N 444.535 5.063 0 40 IKAB COc1ccc(CN(CC[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)C(C)=O)cc1 8738751 WWCBCYJNXBONTI-SVBPBHIXSA-N 439.596 5.215 0 40 IKAB biogenic COc1cc(NC(=O)c2cc(Cl)ccc2OC)ccc1NC(=O)c1ccccc1Cl 8832321 ITDRPECQPBOOJQ-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)c(OC)c1 9126275 ZEKVXMHUJKRHAJ-UHFFFAOYSA-N 438.549 5.777 0 40 IKAB CCCCNC(=O)c1cc(-c2ccc(OC)cc2)nc2[nH]nc(-c3ccc(Cl)cc3)c12 9228190 XXRJZVDNXPEYIH-UHFFFAOYSA-N 434.927 5.484 0 40 IKAB O=C(C[C@@H](Nc1ccccc1)c1ccccc1)c1ccc(I)cc1 9235287 NRMDDYPFLXYQED-HXUWFJFHSA-N 427.285 5.717 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c1 9291531 CZBDGCAQGMLOPG-FCHUYYIVSA-N 448.313 5.193 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3ccc(F)cc3F)c3ccccc32)c1 9394418 AYQMMDCGTHDGLL-UHFFFAOYSA-N 436.527 6.315 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 12274626 NUPXOTNMYXTOES-QFIPXVFZSA-N 449.890 5.223 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCCOc3cccc(Br)c3)c2n1 12528874 TWLNKFUVMPRROL-UHFFFAOYSA-N 427.125 6.070 0 40 IKAB C[C@H](Sc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1Cl 13096995 PGWASILARKONSW-AWEZNQCLSA-N 429.035 7.490 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CNc2cc(Cl)ccc2Oc2ccccc2)cs1 13117816 PUCBAYVDKZHDNR-UHFFFAOYSA-N 449.963 6.886 0 40 IKAB Clc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@@H]2CCCO2)cc1 13121041 NWAMNOYFXSQECJ-KRWDZBQOSA-N 442.928 5.318 0 40 IKAB CCOc1ccc([C@H]2CCCN2C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 13128303 QJCHGEDIRGKIJK-RUZDIDTESA-N 434.536 5.175 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl 13129885 ZZFSOXCRVTZAQR-ZDUSSCGKSA-N 443.330 5.604 0 40 IKAB Cc1ccc(NC(=O)N(Cc2cc3cc(C)cc(C)c3nc2Cl)C2CCCCC2)cc1 13513921 VJEXAYPOLURVIU-UHFFFAOYSA-N 435.999 7.180 0 40 IKAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(-c3ccc(F)cc3)[nH]c3ccccc23)o1 13844906 FDAMQIBNKRQROZ-MHZLTWQESA-N 436.486 6.621 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 14271264 GCOSVLUYDQBCDW-XNTDXEJSSA-N 441.512 5.212 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)OCc3c(F)c(F)c(F)c(F)c3F)c12 14712859 JHGSFTMCVSXNGA-UHFFFAOYSA-N 440.349 5.312 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1OC 15106870 SIOXAIQOBKXQQW-ZBFHGGJFSA-N 429.582 5.399 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCCC[C@H]1c1nc2ccccc2s1 16695026 VXRQHFOKAMPBHW-KRWDZBQOSA-N 444.482 5.419 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 17096596 PRYIQLMCMXIIRX-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)ccc1Cl 19637754 YAZIWATYCNJZIM-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 20241799 GTYILTMHDLAJOL-UHFFFAOYSA-N 427.592 5.380 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3ccccc3SCc3nc(C)no3)n2)cc1 24982110 MQQDAKQGSNMXFP-UHFFFAOYSA-N 436.562 5.609 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32101825 ZOEVEDJTWJXZPL-UHFFFAOYSA-N 430.316 5.927 0 40 IKAB O=C(Nc1nnc([C@H]2CCCO2)s1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32502392 SLKIWZMNZFQSTE-CQSZACIVSA-N 443.834 5.574 0 40 IKAB COc1cccc(-c2nc(-c3cc(C)n(NC(=O)c4ccccc4)c3C)cs2)c1OC 32666086 PPKLHWNNPQFQRH-UHFFFAOYSA-N 433.533 5.297 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4[nH]3)cnc21 32845044 MDCYYKADZJZWQR-UHFFFAOYSA-N 442.548 5.433 0 40 IKAB c1ccc(S[C@@H]2CSc3nnc4c5ccccc5nc-4n3[C@@H]2c2ccccc2)cc1 36625783 FLYYGIVWJQLZTJ-IFMALSPDSA-N 426.570 5.787 0 40 IKAB CCSc1ccccc1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 38772430 JXWATDKJGZUUTM-UHFFFAOYSA-N 440.590 5.017 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](c3ccc4c(c3)OCCCO4)C(C)C)o2)cc1C 40033813 JMFVFJMCTRIVFC-HHHXNRCGSA-N 448.563 5.566 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 44786604 AAQQOLGVFZNSSW-UHFFFAOYSA-N 434.392 5.210 0 40 IKAB O=C(Cc1cccnc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349387 HNUZUHNTJKIBHT-LJQANCHMSA-N 425.454 5.111 0 40 IKAB Cc1nc(-c2cccc(NC(=O)NCc3ccc(CN4CCC[C@@H](C)C4)cc3)c2)oc1C 84061823 RFQHWHJURFGLCC-GOSISDBHSA-N 432.568 5.512 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc2c(c1)OCO2 101998994 ZYKQWNZRABBVDS-AREMUKBSSA-N 446.547 6.254 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](C)CC(O)=C3[C@H]2c2ccco2)cc1 102678942 IUSQNTVMGODUCY-PUAOIOHZSA-N 428.488 6.004 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3cccc(Cl)c3)c3ccccc3C2=O)cc1 103005023 SMOQPJBRSYSMHX-PXLXIMEGSA-N 446.890 5.157 0 40 IKAB COc1ccc(N/C=C2\C(=O)N(c3ccccc3C(F)(F)F)C(=O)c3ccccc32)cc1 105905445 JIZMYXSQYSDLQW-RGEXLXHISA-N 438.405 5.354 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118913876 KSPIGVXMBWTYCY-SPTWOZHASA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro O=C(COc1ccc(Br)cc1Cl)NC(c1ccccc1)c1ccccc1 218944289 NAOOPMNDLHINHU-UHFFFAOYSA-N 430.729 5.387 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220687285 JESYFDGQZZVJOI-KRWDZBQOSA-N 443.396 5.048 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222603985 CXWVNKAAZMEWHP-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 223074654 RVJKDHOHQIZRQY-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223227189 BHYATXBLZDYPIE-HSZRJFAPSA-N 440.653 5.508 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1 223299168 CFLVSQBUGVSFFE-HSZRJFAPSA-N 431.601 6.791 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C(C)(C)C)cc1 224186574 XXYQMJORGZAPDJ-UHFFFAOYSA-N 435.589 6.546 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1OC 224583530 HOYFYJDOAUDCOK-QGZVFWFLSA-N 439.939 5.817 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1C 224950241 PEWSICRFSFIGAH-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1 225051195 GTXAETGIBBPAHW-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225129575 NENCGCCJRXGPNH-LEWJYISDSA-N 438.612 5.003 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225337936 MKQRBZKKXZLVIT-PHCAOYFPSA-N 446.572 5.246 0 40 IKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 225523086 DMXWAJATHBWBCZ-FQEVSTJZSA-N 441.015 5.901 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225695582 RJQWRVKEIRCFRX-VGSWGCGISA-N 449.422 5.566 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(Br)c1 228951992 JTQIOXZGNICHOF-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB O=C1O[C@]2(CCCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)CN1Cc1ccccc1 257277925 OABFEDVJSNECNS-DEOSSOPVSA-N 438.911 5.104 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4cccc5ncccc45)C3)CCOCC2)c1 257283209 OXFRCBGOUTYKSE-JOCHJYFZSA-N 428.576 5.073 0 40 IKAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 260712608 JLFCYQHUDQDGBK-HXUWFJFHSA-N 437.657 5.352 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 408563761 PEHXAENDNDZEAE-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc(Cl)c1Cl 408584126 LVRBRSHVZOYFQF-UHFFFAOYSA-N 438.380 5.575 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1C 408640312 ISQUXYSUOSITGX-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1C 408641802 NBMVNBVVPPVXJM-GOSISDBHSA-N 434.923 5.741 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 408644890 IFNCYCZEUPQTLK-UHFFFAOYSA-N 440.499 5.404 0 40 IKAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1Br 408691512 BHWLHJZGPWRVEE-UHFFFAOYSA-N 440.116 5.194 0 40 IKAB CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(Cl)ccc21 408713080 JKNCPMADRIVURC-UHFFFAOYSA-N 434.948 6.078 0 40 IKAB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5ccc(Cl)cc5Cl)o4)c(=O)n3c2c1 408975726 MCHOFUYCJFAIHH-GRSHGNNSSA-N 441.339 5.641 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)c2n1 409054636 AQQAHMUCHIDDMR-UHFFFAOYSA-N 430.338 7.346 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cc(C)c(Cl)c(C)c3)cc2)cc1 409183297 TZIJKAFGUOEGPD-UHFFFAOYSA-N 428.937 5.458 0 40 IKAB CCC(CC)NC(=O)c1ccc2c(c1)CN(CCC(C)C)CCCCCCCN2C(C)=O 643575948 RKKOZLHNVGYBBF-UHFFFAOYSA-N 443.676 5.770 0 40 IKAB Cc1ccc(C(=O)N2CCCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)cc1 643582005 HQXLRUWEYRFXLW-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2C1 661705 RDAVFDHCERQHOU-NSHDSACASA-N 430.371 5.408 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1sc2nc3c(cc2c1N)C[C@H](C)CC3 691686 YPQQENUIPVYARB-SNVBAGLBSA-N 430.371 5.327 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2Sc2ccccc21 780982 DVDRJKFCOIIJSP-UHFFFAOYSA-N 435.505 5.797 0 40 IKAB COc1ccc(Cl)cc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 856957 ZLBGNIKDQYPBCP-MRXNPFEDSA-N 449.765 6.236 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 976825 KBMYYTZVWPABJA-UHFFFAOYSA-N 433.508 5.565 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 992741 RAGYHYSJILEIGT-UHFFFAOYSA-N 431.875 5.604 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 1061709 XNNGEGFUCHDQSH-LSSDNNNWSA-N 427.931 5.393 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)c1 1328565 RVPAVQZLCMQDEK-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1cccs1 1333495 SGMLNLQJPMXZJE-JOCHJYFZSA-N 440.540 5.313 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc(F)cc1 1339112 JTVVDXWATCOXHZ-XMMPIXPASA-N 449.501 5.197 0 40 IKAB Brc1cc(Br)cc(-c2nnc(-c3ccc4ccccc4c3)o2)c1 1580732 MMZSYQGOCZKIDT-UHFFFAOYSA-N 430.099 6.082 0 40 IKAB CCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775131 KSBFRANPTVINTI-OAHLLOKOSA-N 430.884 5.576 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)nc2c1 2071741 UOEYFTIISAJHEZ-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 2079563 QQCLWCSSSQENFY-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB CSc1nc(SCC(=O)O)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2430890 RYIBMIRKLHXWMK-UHFFFAOYSA-N 439.587 5.294 0 40 IKAB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 2620271 TXYKPJOBSRFNCQ-IBGZPJMESA-N 442.511 6.393 0 40 IKAB CCn1c(SCC(=O)c2cc(C)n(Cc3ccco3)c2C)nnc1-c1cccs1 2660746 ONEMCXAZXJFEIA-UHFFFAOYSA-N 426.567 5.061 0 40 IKAB CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(C(=O)OC)o2)c1-c1cccc(OC)c1 2733450 DMNPUKFGUBQSJJ-UHFFFAOYSA-N 446.503 5.225 0 40 IKAB O=C(NCCCCc1ccccc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2750707 HUIMCYBNZBSWCX-UHFFFAOYSA-N 449.381 6.961 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(C)c(C)c1 2759572 ZNMMEWZPMUQXSX-FQEVSTJZSA-N 440.392 6.039 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1cccnc1 3249559 KDCVBCMOCKSCSS-UHFFFAOYSA-N 426.954 5.328 0 40 IKAB CN(C)Cn1nc(-c2ccc(Cl)cc2Cl)n(-c2ccc(F)c(Cl)c2)c1=S 3276960 RTXOROHVBKKRSV-UHFFFAOYSA-N 431.751 5.689 0 40 IKAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 3294029 CPMXCRJYVOLHOV-UHFFFAOYSA-N 429.731 5.289 0 40 IKAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Cl 3330775 AGELBFQUDMSRMJ-ZDUSSCGKSA-N 439.915 5.288 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 3340106 UANCBNMKKNHNOQ-QGZVFWFLSA-N 426.545 5.443 0 40 IKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655536 RNRJAUIKCOJUQP-AWEZNQCLSA-N 437.854 5.862 0 40 IKAB Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 3658657 VCJNUNQPIGQREI-UHFFFAOYSA-N 439.559 7.136 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5188408 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CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(OC)cc23)cc1 9676021 URMLUSSVASITIZ-UHFFFAOYSA-N 427.935 6.774 0 40 IKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(F)cc1 9729556 RRPDTFQEEWZORP-CYBMUJFWSA-N 431.920 5.348 0 40 IKAB Cc1sc2nc([C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)[nH]c(=O)c2c1C 9813229 BDLXMQUUBOEJHD-LLVKDONJSA-N 429.596 5.110 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(CC(=O)c3ccccc3)cccc12 9943275 PLZHMORQZILUEJ-UHFFFAOYSA-N 443.524 5.756 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 10112623 TVPKQWCPCXJQNY-UHFFFAOYSA-N 436.533 5.061 0 40 IKAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 10219105 CEZXNAOCZXDNSI-UHFFFAOYSA-N 441.980 5.123 0 40 IKAB CCN(CC)C(=O)Cn1c(SCCOc2ccc(Cl)c(C)c2)nc2ccccc21 12062268 LRRFUGQDWVKFEX-UHFFFAOYSA-N 431.989 5.038 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccccc3)n2[C@H](Cc2ccccc2)C(=O)O)cc1 12652659 HWYNRSQUGFMXJI-SKWYYERQSA-N 444.556 5.716 0 40 IKAB CC(C)c1ccc2c(c1)C(c1ccc(C(F)(F)F)cc1)=NNC(c1ccc(F)cc1)=N2 12881019 HZUITZFUCFVLTC-UHFFFAOYSA-N 425.429 6.402 0 40 IKAB CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1 12905049 URRQABRVOMGUSJ-UHFFFAOYSA-N 440.594 5.301 0 40 IKAB Cc1ccc(-c2noc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)n2)cc1 12917780 XJFGPKGVZGFOKL-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)Cc3ccc(NC(=O)OC(C)(C)C)cc3)c2C)cc1 13011968 RACZLNWPXIRPSE-UHFFFAOYSA-N 434.540 5.326 0 40 IKAB CC(=O)N1C[C@@H](C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)Oc2ccccc21 13163757 PNCQTWVSLYIXNB-NRFANRHFSA-N 438.936 5.244 0 40 IKAB Cc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1Cl 13555011 WCVDASYONFZXNY-UHFFFAOYSA-N 439.390 7.361 0 40 IKAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ncc(C(F)(F)F)cc3Cl)ccc21 14076295 MCOOUBZEWBJNEN-SNVBAGLBSA-N 428.863 5.026 0 40 IKAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)CSc1ccc(NC(C)=O)cc1 15445309 IEOZKQBDBLYHIO-UHFFFAOYSA-N 448.588 5.365 0 40 IKAB CCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(OC)c(OC)c1)Nc1ccccc1-2 15930724 JKPXNXPPTYEETD-IBGZPJMESA-N 444.944 5.214 0 40 IKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 15945391 LTXUMWFDKFJDBZ-AARKYKDCSA-N 448.544 5.904 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OCc1ccccc1 15947769 CAMGTXMMPQJEJN-VOIUYBSRSA-N 448.588 6.280 0 40 IKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccccc1Cl 16195749 HVEBOKKZOXNLIB-UHFFFAOYSA-N 438.793 6.112 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(Nc4ccccc4)n3)o2)cc1OC 16227602 KLIACWCSKLMFOG-UHFFFAOYSA-N 426.523 5.246 0 40 IKAB O=C(c1ccc(Br)cc1)c1cc(-c2ccccc2)c(N2CCOCC2)s1 16492790 SMBCZNYQLXYZAL-UHFFFAOYSA-N 428.351 5.245 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)cc1 16846890 ILQMJBBRNJWTRD-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](CC)C2 17094760 ZNMMCAWKRANSEW-NSHDSACASA-N 426.365 5.999 0 40 IKAB Cc1cccc2c(C(=O)N3CCN(/C=C/c4ccccc4)CC3)cc(-c3cccnc3)nc12 17098989 VAIAXHDANATDJG-WYMLVPIESA-N 434.543 5.034 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2Oc2ccccc2)sc2c1CCCCC2 17297558 KSQFCHUKEWKOLN-UHFFFAOYSA-N 435.545 6.238 0 40 IKAB CCCN1C(=O)COc2ccc(-c3csc(NC(=O)CCC4CCCCC4)n3)cc21 19820276 ISNKDUNAMVZFHW-UHFFFAOYSA-N 427.570 5.245 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20458459 WZSNRONOQGHXAV-FQEVSTJZSA-N 443.587 6.745 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3n2)cc1 20611241 QVKCBIXMBCDDJK-SFHVURJKSA-N 428.536 5.721 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 22475323 DVDJNIQLBCYGNO-SFHVURJKSA-N 433.533 5.014 0 40 IKAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 23200033 SOCDUYPKLNLJCI-NRFANRHFSA-N 430.291 5.006 0 40 IKAB COc1ccccc1C(=O)NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27742244 RPUJAKAWFOOSPM-HXUWFJFHSA-N 449.348 5.501 0 40 IKAB COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1Cl 32578829 DPVIEFKDSFWLGB-UHFFFAOYSA-N 449.894 5.538 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 33403974 LZNXQKDRPBTFRK-IBGZPJMESA-N 428.989 5.196 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)cc(=O)n2o1 35429557 JBXMDXSVNQPMQU-UHFFFAOYSA-N 447.560 5.438 0 40 IKAB COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1COc1ccccc1OC 36611520 CSKJRUJQWRHGSA-UHFFFAOYSA-N 448.544 5.127 0 40 IKAB C[C@H](Sc1nc(Cc2cccs2)n[nH]1)c1nc(-c2cccc(C(F)(F)F)c2)no1 40039552 UZZLKKLVQZOZQH-JTQLQIEISA-N 437.472 5.379 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)cc2)[nH]n1 40478294 PBYDYDLBAXIBHX-UHFFFAOYSA-N 434.293 5.884 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(Cl)cc2)cc1 44087578 LXPBWYDDHIQNAA-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB O=C(C1CCN(C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCCCCC1 57980147 ZONXDOYRNCFWQZ-RJAVSUSUSA-N 448.651 5.166 0 40 IKAB O=C(Nc1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1)c1ccccc1 59461279 UUXLWLCXAOPKTO-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709196 SBXXZWYDZDXGMP-KKUQBAQOSA-N 434.495 5.199 0 40 IKAB C[C@@H](NC(=O)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl 103259888 CULGIHAOBXRZFM-RTBURBONSA-N 449.982 5.463 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 138155887 DMEZXYAZIICMPW-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C)c(C)c1 218802825 OPYDZGJQTKCSNE-HXUWFJFHSA-N 428.579 5.047 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076588 VGNHEVTXAVOMKB-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223363911 ATNILYQIBHMTTI-XZOQPEGZSA-N 449.963 6.069 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1Cl 224137157 PJYOJNRCCBGGME-UHFFFAOYSA-N 449.978 6.023 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccco1 224157796 LJUUFMAWRDDRHM-ZEQRLZLVSA-N 428.561 5.318 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 224170854 DQQJZZXBQUSPCE-HHHXNRCGSA-N 442.603 5.461 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224753732 HKPBZHONVXXYBU-HSZRJFAPSA-N 448.651 5.917 0 40 IKAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224915732 NXMLFGROYZSGQC-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c1 224940923 GQETZEXCZGBOBM-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225172117 SVRGBEZZSNWNIL-SFHVURJKSA-N 444.978 5.278 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225606598 AKLSNSSDANFUKM-QGZVFWFLSA-N 435.395 5.176 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c2ccccc2O1 225827135 RFBQDQAOMPTOJF-VWLOTQADSA-N 445.628 7.100 0 40 IKAB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 226769376 TWTPIQHDMHTLEB-UHFFFAOYSA-N 442.240 5.278 0 40 IKAB COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 230069173 RYIBQBBEQKGBLE-VYMVRTOESA-N 438.568 5.319 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cnccc23)CC1)C1(c2ccccc2)CCOCC1 257227767 FQUJBWZPBOIRGO-JOCHJYFZSA-N 428.576 5.154 0 40 IKAB COc1cc(COc2c(Cl)cc(C(=O)O)cc2OC)ccc1OCc1ccccc1 408540182 OFFXCKKLTRNJHY-UHFFFAOYSA-N 428.868 5.213 0 40 IKAB COc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408577852 UVNSRYBROKKMFG-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2Cl)cc1 408678668 UMSLITIELHXBRH-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccccc2Cl)cc1 408680531 ZRZXFFTWKNJHMY-UHFFFAOYSA-N 432.907 5.158 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409001076 GMRCIKOAOXGBCN-QHCPKHFHSA-N 434.923 5.351 0 40 IKAB COc1ccc(-c2sc(NC(=O)CC[C@@H](O)c3ccccc3)nc2-c2ccccc2)cc1 409200248 KEUPARVRLHGVOH-JOCHJYFZSA-N 444.556 5.938 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3F)c2)C1=O)c1ccccc1 409222551 DVORRUCZDGDOSU-OEAKJJBVSA-N 447.487 5.324 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 409257337 ODKYHHRTNPWGSM-UHFFFAOYSA-N 433.573 6.727 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 409383981 SVPPOAWYBWBTDN-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CC(=O)Nc1ccc(CN2CC[C@@H](Nc3cccc(F)c3)[C@@H](Cc3ccccc3)C2)cc1 585262233 NIHTWBOFFCMCQS-WNCULLNHSA-N 431.555 5.329 0 40 IKAB CO[C@H](C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 1615058844 RQONXLZHECVYAH-SANMLTNESA-N 432.539 5.092 0 40 IKAB COc1cc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)cc(OC)c1 905758 GDZRERHBWMUVLF-UHFFFAOYSA-N 431.517 5.045 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 1371176 XCDWYUHMLQRDRJ-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB CCOc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 1448839 ZPNVPXINAFMWKW-QHCPKHFHSA-N 438.593 6.184 0 40 IKAB CCC(=O)Oc1c(Cl)cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OC 2071196 RCUVCAOWWOGEKF-PDGQHHTCSA-N 441.911 5.306 0 40 IKAB COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)cc1OCc1ccccc1F 2085803 CASBWRSGBFCQBU-NDENLUEZSA-N 437.854 5.411 0 40 IKAB CCCc1sc(N(C(=O)Cc2ccccc2)c2ccc(C)c(C)c2)nc1-c1ccccc1 2170850 ADVUTFWYXWYJIT-UHFFFAOYSA-N 440.612 7.287 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O 2403794 AMHAXGJIKOJMKU-DEOSSOPVSA-N 441.527 6.046 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(OCC(=O)NC(c4ccccc4)c4ccccc4)c23)C1 2643064 PENXBINEISQLBD-KRWDZBQOSA-N 443.572 5.101 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCc2nc3sc(C)c(C)c3c(=O)[nH]2)c1CC 2644114 NEQIBACSNCOLSU-UHFFFAOYSA-N 435.549 5.022 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1 2654499 KKKTXNUCAUASKG-UHFFFAOYSA-N 430.264 5.917 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccnc2Cl)sc(C)c1-c1cc(C)ccc1C 2762064 PAJJKGLHWDXUOG-UHFFFAOYSA-N 428.941 5.818 0 40 IKAB O=S(=O)(Nc1cc(Br)c2oc3c(c2c1)CCCC3)c1ccc(Cl)cc1 3056953 SWSSVDGCKUFSSK-UHFFFAOYSA-N 440.746 5.528 0 40 IKAB COc1ccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 3066738 DVJRHQOHLBWHKT-UHFFFAOYSA-N 434.517 5.104 0 40 IKAB O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1c(F)cccc1F 3139343 GABGCAJTFNRJIA-UHFFFAOYSA-N 449.547 7.520 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2o1)CSc1nc2cc(Cl)ccc2o1 3287875 RPSRHUGGHMQWRQ-UHFFFAOYSA-N 425.318 5.729 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccc(F)cc4)c(=O)c23)C1 3317391 XWHNVMALEIODMN-HNNXBMFYSA-N 430.614 6.043 0 40 IKAB COc1cc2c(cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1)oc1ccccc12 3327619 DJTRTKBBRWJJSH-MDZDMXLPSA-N 433.460 5.272 0 40 IKAB aggregator CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4786475 WYCBINHYUQABOH-JOCHJYFZSA-N 449.341 6.271 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Oc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 8686979 VLGXWFQMNVOYIC-AWEZNQCLSA-N 436.562 5.297 0 40 IKAB Cc1cc(OCC(=O)Nc2cccc3ccccc23)c2c(-c3ccccc3)cc(=O)oc2c1 8751740 ICGMMEPUJSVEOK-UHFFFAOYSA-N 435.479 5.939 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1C 8758173 GQJSGTDMVVWSIY-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB CCn1c(SCC(=O)N2CC[C@H](C)Sc3ccccc32)nnc1-c1cccs1 8898214 PEQVIFVVCBOQRJ-AWEZNQCLSA-N 430.624 5.036 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)cc3)ccc21 8959078 LQKPPGUARHBKCY-UHFFFAOYSA-N 445.357 5.109 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc1O2 8961509 QGBISNPJAXDVFQ-UHFFFAOYSA-N 442.924 5.140 0 40 IKAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccccc4Cl)cc3)CC2)cc1 9096388 JRKLVIJHBXWWAF-UHFFFAOYSA-N 447.966 5.117 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3ccccc3OC)c(O)c2)cc1 9129085 REMYJVVVYLGQQJ-UHFFFAOYSA-N 428.488 6.114 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccco4)n3CC(C)C)c2cc1Cl 9129281 BAWADBBFUCNPOW-UHFFFAOYSA-N 429.929 5.555 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(CC)c2ccccc2O3)cc1OCC 9134659 YKHRLYBAHNXAHY-UHFFFAOYSA-N 446.503 5.509 0 40 IKAB CCc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 9225638 YBVRGQFBUQNCNF-VWLOTQADSA-N 448.975 5.382 0 40 IKAB Cc1ccc2c(c1)C1=C([C@H](c3cccnc3)N3NC=NC3=N1)[C@@H](c1ccc(C(C)C)cc1)O2 9293636 HVVUEJNVKJTPPU-IZZNHLLZSA-N 435.531 5.318 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cc(C)cc3Cl)c2)cc1 9412347 ORNASLLSQZUEJC-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9427684 OSMMZYYAOKLFDT-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCC1 9601962 HHKYQPMVFYXVCN-SANMLTNESA-N 438.615 6.485 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 9707755 OJISCYATPASEMW-UHFFFAOYSA-N 448.569 5.523 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 9782765 RREFMPYFQBTLFE-HSZRJFAPSA-N 439.540 5.866 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C(C)=O)c3)[C@@H]2c2ccccc2)cc1 9873102 CZVQFGLSYQRWRW-AHWVRZQESA-N 442.515 5.021 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2)S(C)(=O)=O)c1 10331355 RIWOSMODRLUAIO-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2ccccc2)cc1OC 10646792 YBECLTNMYJHOBB-LJQANCHMSA-N 438.574 5.235 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)c1 10700589 YSBOFBXQKUNXRO-INIZCTEOSA-N 446.641 6.948 0 40 IKAB COc1ccccc1-c1nnc(SC[C@H](O)c2ccccc2)n1CCc1ccccc1 11366742 PWCHBVYFPMECSM-QFIPXVFZSA-N 431.561 5.022 0 40 IKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 11667246 COBIZKXWNBVKDI-GOSISDBHSA-N 431.536 5.497 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2c(cc1Br)OCCO2 11689866 XKLOUGLVUPUQRC-UHFFFAOYSA-N 436.611 5.145 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccccc1Cl 12419512 AEGNOWRLTRHDHW-UHFFFAOYSA-N 449.315 5.686 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)c1 12479091 VRXIUUKHVIWMJD-RUZDIDTESA-N 446.547 5.121 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H](OC(=O)c4ccccc4)CC[C@H]32)C1 12662386 JVRUDYNTKOCRNP-ZHKDXRFSSA-N 436.592 6.107 0 40 IKAB biogenic Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccccc4Cl)n23)cc1C 12878663 MKFFJWJBWCWLAQ-UHFFFAOYSA-N 428.970 5.459 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 12892191 PMYDJYAFKHFCIZ-HXUWFJFHSA-N 438.524 5.017 0 40 IKAB O=C1O/C(=C\N2CCc3c([nH]c4ccccc34)[C@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 12961273 GCABLUGXOGQONP-LAFYTXFYSA-N 448.478 5.148 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12980765 OZNAXPSWDFVRPC-SJKOYZFVSA-N 442.928 5.052 0 40 IKAB Cc1ccc(N(C(=O)CCNC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1C 13112424 ZLJWDMBQEDTBFL-UHFFFAOYSA-N 444.560 5.790 0 40 IKAB Cc1ccc(N[P@@]2(=O)C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 13303004 UAOKUYBEMUCFFA-YTTGMZPUSA-N 448.551 6.994 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1CCc1ccccc1 13688300 HRGRMLFGMGTQDM-UHFFFAOYSA-N 444.427 6.442 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)N1c2ccccc2Sc2ccccc21 13717223 UYQOSULFYIWANC-UHFFFAOYSA-N 444.943 7.967 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cc1 13871528 RLNSEXCLAZLXKQ-HNNXBMFYSA-N 444.988 5.385 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC)cc1 13871544 FYMDIFJKIFPAMA-SFHVURJKSA-N 438.597 5.348 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)ccc1Br 15583327 DZKZINZFEINCTH-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1OC 16176576 BSCFRGUVRBSBDS-FQEVSTJZSA-N 432.495 5.276 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 17099771 MTQRCEJWJKQNSR-HNNXBMFYSA-N 435.911 6.074 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)NCc1ccccc1Cl 18588833 CAWPIHKVQHKBDN-CQSZACIVSA-N 429.973 5.485 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 22517891 PDGKLBIUKVRKDO-QHCPKHFHSA-N 436.939 5.109 0 40 IKAB COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3cccc(C)c3)co2)cc1 22842519 LFAZUIBUSKLLKS-UHFFFAOYSA-N 434.517 5.054 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24445135 BISHQMIORFLWDT-UHFFFAOYSA-N 427.785 5.253 0 40 IKAB CCCCC1CCC(C(=O)Nc2nnc(-c3ccccc3-c3ccc(F)cc3)s2)CC1 27913993 QOCVQSFGMDBJQQ-UHFFFAOYSA-N 437.584 6.946 0 40 IKAB COc1ccc(SCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC 30752821 RURSDXZZHVTZAS-UHFFFAOYSA-N 446.421 5.152 0 40 IKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c(C)c1 32624126 NOZSCYSKFOJBIX-UHFFFAOYSA-N 430.888 5.292 0 40 IKAB N#Cc1c(NC(=O)Cn2cc(C=O)c3ccccc32)oc(-c2ccccc2)c1-c1ccccc1 33749953 HQIWBHTYPLDCBB-UHFFFAOYSA-N 445.478 5.891 0 40 IKAB COc1ccc(N(Cc2ccc(F)cc2)C(=O)COc2ccc(Cl)cc2Cl)cc1 34132417 LZWIHLQFTKKAOR-UHFFFAOYSA-N 434.294 5.753 0 40 IKAB O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 35073532 FMXAWRCGHYGXPB-GDLYEYDXSA-N 434.511 6.463 0 40 IKAB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1ccc(Br)cc1 35647570 CZVVHGKSZZRQDH-NTEUORMPSA-N 427.245 5.360 0 40 IKAB COc1cccc(NC(=O)Nc2ccccc2NC(=O)c2ccccc2C(F)(F)F)c1 36709653 UCTXHVQGNCAITC-UHFFFAOYSA-N 429.398 5.610 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)Cc1ccc(Cl)cc1Cl 40127595 ZTYRTGASQQOLTB-UHFFFAOYSA-N 429.756 5.256 0 40 IKAB Cc1ccc2c(=O)cc(CSc3ccccc3NC(=O)CCc3ccccc3)[nH]c2c1 41078241 GVOWMWROERICTF-UHFFFAOYSA-N 428.557 5.700 0 40 IKAB CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 44900708 JCLATZSTOAEXAI-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB COc1cc(/C=C(/c2nc3ccccc3[nH]2)c2nc3ccccc3s2)cc(Cl)c1OC 50647950 RSEQMUBRILHJNZ-PTNGSMBKSA-N 447.947 6.432 0 40 IKAB O=C(CSc1ccc(-c2ccc(C3CCCCC3)cc2)nn1)c1ccc2c(c1)OCO2 57486334 OTBVWVXAXSMSCB-UHFFFAOYSA-N 432.545 5.895 0 40 IKAB COc1ccc(CCN(C)C(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1OC 58010625 HHKOZMZTRNTEKU-MOPGFXCFSA-N 436.577 5.064 0 40 IKAB CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC3 71928249 CAHGCLMLTWQZNJ-ZSLNGYDASA-N 426.729 8.479 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)s1 72375563 CIPSFBNPLPJJJX-FQEVSTJZSA-N 446.580 5.017 0 40 IKAB CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 89941547 QBGZZZAEZKYRMA-FQEVSTJZSA-N 428.319 5.638 0 40 IKAB CC(C)Oc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 96115371 YJVPGCBTCMTAJV-WIOPSUGQSA-N 441.483 5.112 0 40 IKAB biogenic O=C(CCc1ccccc1Br)NCc1ccc(C(=O)c2ccsc2)s1 96119915 WFSAWRZWHNXQIQ-UHFFFAOYSA-N 434.380 5.052 0 40 IKAB COc1cc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)ccc1OC(C)=O 101429299 JBSXCIIACCSYSH-VWLOTQADSA-N 429.497 5.871 0 40 IKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1OC 102714422 OJHNSWWTXFWCDI-VWLOTQADSA-N 446.547 5.906 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1[C@H]2CC[C@H]1CC(Cc1cnc3ccccc3c1)C2 221955881 GBTAQRICVCCJNM-DQEYMECFSA-N 449.558 5.394 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 222383713 BPGMQTRJZGSFMI-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222802442 ZJSHWLFHGVBYQL-RTBURBONSA-N 428.355 5.097 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 223192772 SWGHMVZTXOHNID-LJQANCHMSA-N 448.588 5.084 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 223769246 KCVQKRIIBICTFV-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 223769515 LQSVEVZKZZOACA-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224147852 AHEMNPNJSCIGPW-SANMLTNESA-N 434.624 5.609 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccncc1 224156035 MRRFXWDMUDHRPK-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 224208004 OEVUTLLNUVCILD-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OCC 224710568 XAKHMZDMIMSLTH-UHFFFAOYSA-N 439.939 6.710 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225066296 DFWDJEYTXDFCAX-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225222682 ORNALSZNNLOUGU-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CC(C)CSc1nnc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)s1 225359372 XQCSUQWPXNEIMZ-UHFFFAOYSA-N 438.622 5.097 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OC 225760911 SPRJCIWCUVJYIR-QGZVFWFLSA-N 427.516 5.630 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1snnc1-c1ccc(Br)cc1 225784050 LAFYFYLTZADTGE-UHFFFAOYSA-N 428.233 5.239 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)C[C@H]1c1ccccc1 226782042 OFYANIQOIOBDKE-QHCPKHFHSA-N 441.918 5.546 0 40 IKAB 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)CCc2ccccc2)C1 253612425 OSYGNEOCCSKLON-QCTMDSAESA-N 438.652 6.325 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(C(=O)O)[C@](C)(CCC(=O)O)[C@H]3CC[C@]12C 253647174 QJUQBYMZJRWYDP-CHXXTDIASA-N 432.645 6.793 0 40 IKAB COc1ccccc1-c1ccccc1CN1C[C@@H](c2cccc(F)c2)[C@@]2(CCCC(=O)N2)C1 257210681 BVRPDQBMAQLHAF-LBNVMWSVSA-N 444.550 5.140 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)ccc1OCc1ccccc1 408625122 WWMNWFSARVTHOZ-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 408643696 BWHTWTPARXISIT-UHFFFAOYSA-N 442.446 5.039 0 40 IKAB Cc1ccc2cc(C(=O)CCC(=O)Nc3ccc(I)cc3)ccc2c1 408836081 ZBJTUXCFRSHFGP-UHFFFAOYSA-N 443.284 5.354 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccc(F)cc1 409015868 CCQOUAQOFQBQBI-FYJGNVAPSA-N 436.870 5.151 0 40 IKAB Cc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1 409094956 GUGGQZUIEXPQTJ-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB Cc1ccc(OCc2nn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=S)o2)cc1 409151783 HMHAWKNBJNZCBA-UHFFFAOYSA-N 443.613 5.587 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 409206925 RGYHHYFNOGIYJR-UHFFFAOYSA-N 430.209 6.437 0 40 IKAB Cc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@@H](c2ccccc2)S3)cc1 409207325 VGVALPZBELDGNP-XMMPIXPASA-N 426.545 5.573 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 409359868 OARRAFNEFVMQNJ-SRZZPIQSSA-N 438.936 5.795 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1Cl 585266072 DEFALRYKALCGBW-OAQYLSRUSA-N 442.346 5.608 0 40 IKAB CCN1CCC(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)CC1 643553193 AHMMRGFITALBNO-UHFFFAOYSA-N 441.660 5.090 0 40 IKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 683015 NJFUIAOBBSJDIZ-WOJBJXKFSA-N 432.520 5.115 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1cccc(Cl)c1 800209 QWSFSKXZZVIKCB-MRXNPFEDSA-N 430.879 5.097 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 924841 HMSXTBWSNQGTGY-FPOVZHCZSA-N 435.593 5.465 0 40 IKAB Cc1cc(C)cc(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1 942584 RTJBELUCKZCXCK-UHFFFAOYSA-N 430.456 5.324 0 40 IKAB O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)Nc1cccc2ccccc12 1346523 PJOGRFBBVILFEJ-UHFFFAOYSA-N 445.935 5.353 0 40 IKAB O=C(c1ccccc1C(F)(F)F)n1ccc(-c2nc3ccccc3n2Cc2ccccc2)n1 1383761 QSACYGVNPVPZAR-UHFFFAOYSA-N 446.432 5.655 0 40 IKAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 1770322 XAMFYUOXIXGUBS-DIFFPNOSSA-N 438.833 5.008 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1789818 DGMIALXAIIGBLP-NEPJUHHUSA-N 448.013 5.597 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2246492 ACSNALGVCSBTNO-RTWAWAEBSA-N 436.899 5.345 0 40 IKAB CCCCc1nc2sc3c(NC[C@H]4CCCO4)nc(SC)nc3c2c2c1CCC2 2426657 HUQHZUQFNQNUAV-CYBMUJFWSA-N 428.627 5.384 0 40 IKAB Cc1cc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)nc(Cl)n1 2559301 MAMMCMPQAQZLEM-UHFFFAOYSA-N 428.348 5.632 0 40 IKAB COc1ccc(/C=C/C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(OC)c1 2634343 ADIKYRPKUGVOHB-RFYAYMHSSA-N 441.483 5.366 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)s1 2665007 OZZWGRURQZWJAC-OAHLLOKOSA-N 440.594 5.140 0 40 IKAB FC(F)(F)c1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 2694379 HOAYSLKRPMPWQD-UHFFFAOYSA-N 433.437 5.618 0 40 IKAB CSc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2cccs2)cc1 2707429 XWJJRFFVLPQTDN-YADHBBJMSA-N 430.558 5.274 0 40 IKAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2737541 FGFLEYSONURRKK-UHFFFAOYSA-N 425.290 6.278 0 40 IKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 2741985 DZVAPFFZCXPVBF-NRFANRHFSA-N 438.553 5.341 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 2798640 XNDMSLBURWBHHU-HNNXBMFYSA-N 431.483 5.899 0 40 IKAB Cc1ccccc1N[C@H](c1ccc(Br)cc1)c1nnnn1C1CCCCC1 3176245 LJUCQAQHRMPDQY-HXUWFJFHSA-N 426.362 5.451 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c(Br)c1 3273541 DZXPYQNMXFENMU-UHFFFAOYSA-N 432.321 5.863 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1C=C[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846385 GNVGQELMUVQTKO-DQJYTKEYSA-N 446.672 6.577 0 40 IKAB biogenic O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)ccc1Cl 3886651 JADXAIGOQPLWFB-UHFFFAOYSA-N 436.316 5.087 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 6197672 CSXFEJGNAZSWOJ-SFHVURJKSA-N 433.621 5.471 0 40 IKAB O=c1oc2ccc(Cl)cc2c(-c2cnc3c(c2)COc2ccccc2-3)c1-c1ccccc1 8448340 CYFZKBIJAABNLU-UHFFFAOYSA-N 437.882 6.735 0 40 IKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 8612011 MNJNIWSZWCMXBU-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB aggregator O=C1[C@@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 8857382 VEVLMSSHLYQRCC-KRWDZBQOSA-N 428.376 5.630 0 40 IKAB Cc1ccc(C)c(CSc2ncnc3c2cnn3-c2ccc(Br)cc2)c1 9292148 VOKAULAEHJNOCX-UHFFFAOYSA-N 425.355 5.487 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1 9363791 BGGOMOBCKCDBQV-UHFFFAOYSA-N 427.957 5.704 0 40 IKAB CCCCSc1nnc(CNC(=O)Cc2ccccc2)n1-c1ccc(Cl)c(Cl)c1 9369049 SYJVVRLJXYECGD-UHFFFAOYSA-N 449.407 5.325 0 40 IKAB COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1cccc(F)c1)CC2 9391361 QTZMKDWAYQLITP-XMMPIXPASA-N 449.522 5.278 0 40 IKAB COc1cc(C=O)ccc1OCCOc1ccc(-c2nc3ccccc3s2)cc1OC 10039878 QILSYBQFXNSYQU-UHFFFAOYSA-N 435.501 5.251 0 40 IKAB CCN(c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1)C(C)C 10049977 CQIDQCTWFVWVNX-UHFFFAOYSA-N 443.594 5.036 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccccc1Cl 10212737 BQQPTYFGONVXEP-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCCCC3)c1ccc(Br)cc1 11692239 RMVFASDZVYRYAP-UHFFFAOYSA-N 427.294 5.086 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl 11916660 JATMSTVECORNLH-MRXNPFEDSA-N 428.985 5.740 0 40 IKAB FC(F)(F)c1cccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)c1 12082718 ZIQVECONEKFGEI-ZXVVBBHZSA-N 444.250 7.114 0 40 IKAB CCOC(=O)[C@@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 12139527 VAEJNZPMIWJVFA-IBGZPJMESA-N 435.423 5.379 0 40 IKAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccccc1Cl 12321734 ALSZXCQJNJPPTF-UHFFFAOYSA-N 430.957 5.253 0 40 IKAB COc1ccc(/C=C\C(=O)Nc2ccc3c(c2)N(C(C)=O)c2ccccc2CC3)cc1OC 12364186 AOYAJTBOMJMSJT-DHDCSXOGSA-N 442.515 5.139 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)c2nc(C(C)C)no2)cc1 12536855 XEWMSXAZSWFXIR-QGZVFWFLSA-N 449.580 5.617 0 40 IKAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)s2)cc1 12548237 FPGMCWKYKXCFGY-QGZVFWFLSA-N 432.549 5.016 0 40 IKAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCC[C@H]1c1nc2ccccc2s1 13070330 ZVXQURITMIGLDJ-HNNXBMFYSA-N 438.534 5.006 0 40 IKAB COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13552076 UBZJEEBWQDOGGA-GGAORHGYSA-N 425.315 6.244 0 40 IKAB CCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13945765 JQBGBJTVBVIAKU-SIBVEZHUSA-N 431.580 5.436 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nnc1-c1ccccc1 14083314 AHORVLFOQXYCEW-GOSISDBHSA-N 449.605 5.031 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCc3sccc3[C@@H]2C)cc1 14180463 WYBSLTHXCYBKRX-KRWDZBQOSA-N 430.573 5.984 0 40 IKAB CCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 14270077 AWYGMRJMKBHBKQ-CSKARUKUSA-N 445.371 6.342 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1OC 14911538 BNRZLPMIIGITHV-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB COc1ccc(S[C@@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)cc1OC 16311911 RCSAQOQTINWBMH-VWLOTQADSA-N 440.992 7.080 0 40 IKAB O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)s1 16430783 SGFAXFFAJGQLJM-UHFFFAOYSA-N 431.844 5.672 0 40 IKAB CC(C)CCOc1cccc(C(=O)Nc2ccc3nn(-c4cccc(Cl)c4)nc3c2)c1 16575179 HUZGHPCXXKWWBZ-UHFFFAOYSA-N 434.927 5.751 0 40 IKAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)Nc3ccc(Cl)cc3)c2=S)c1 16769367 VKSSFHOIOAJBRJ-UHFFFAOYSA-N 434.952 5.671 0 40 IKAB C[C@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 17245330 BHMSXMWLKZVLTC-INIZCTEOSA-N 443.469 5.650 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 19648600 AXINKQXPVFDCFG-OAHLLOKOSA-N 449.348 7.023 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 19692078 UQNGGBUVYVJQRE-XMMPIXPASA-N 428.511 5.282 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc2noc(-c3ccccc3)c2c1 19814209 FSRJKHJEJFOWHY-UHFFFAOYSA-N 445.931 6.448 0 40 IKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc(-c3ccc4c(c3)NC(=O)CO4)c2)cc1 19863139 HDOKZWNZTCJHDL-UHFFFAOYSA-N 442.902 6.076 0 40 IKAB Cn1c(C(=O)NCCc2cccs2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894338 SJQCZYIHEWDWCX-UHFFFAOYSA-N 429.372 6.186 0 40 IKAB Brc1ccc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc1 20111712 CHHFORGPJYRIQU-HSZRJFAPSA-N 433.349 5.745 0 40 IKAB biogenic Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 20140155 NYVIYHWUWSFINM-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(CC)cc2)cc1 20970017 YAZSEHOZMVRDDE-SANMLTNESA-N 436.559 6.089 0 40 IKAB CSc1ccc(CNC(=O)CSc2cc(Oc3cc(C)cc(C)c3)ncn2)cc1 21657611 HORAIJIAENEUMN-UHFFFAOYSA-N 425.579 5.016 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)sc2nc3c(cc12)CCCCCC3 22079221 STHLRTNBHYAZEE-UHFFFAOYSA-N 429.929 5.141 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(OCCSc2ccccc2)cc1 22523346 IWYQCFVYQIFOOO-UHFFFAOYSA-N 441.552 6.902 0 40 IKAB C[C@H]1CCN(C(=O)CNc2ccccc2NC(=O)c2ccccc2)c2ccccc2S1 24661631 PVCRZGVBSIKESI-SFHVURJKSA-N 431.561 5.268 0 40 IKAB COc1ccc(-c2cc3nc(CN(C)Cc4ccc(SC)cc4)[nH]c(=O)c3s2)cc1 27351476 AOPVZISZFAJDSM-UHFFFAOYSA-N 437.590 5.014 0 40 IKAB O=C1CN(C(=O)c2ccccc2C(F)(F)F)[C@@H](c2ccccc2)c2ccc(Cl)cc2N1 28047924 ITLNPYRGZYHRFD-NRFANRHFSA-N 444.840 5.543 0 40 IKAB O=C(O)C/C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1 33699752 QPUFRJHFWHBNOH-CYVLTUHYSA-N 437.524 6.164 0 40 IKAB CCOc1cc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)ccc1O 35647650 NRKFAYFQZHBZBZ-LZYBPNLTSA-N 442.846 5.355 0 40 IKAB O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1ccc(SC(F)(F)F)cc1 40118650 ZWYLQMCVDNBNAY-UHFFFAOYSA-N 444.891 5.263 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44855325 OAAGBHZUELTVFN-KNQAVFIVSA-N 426.988 5.279 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 46022479 IUDLZDYSRZIEBH-UHFFFAOYSA-N 446.041 6.334 0 40 IKAB Clc1cccc(-c2nnn3c2nc(N2CCN(C4CCCCC4)CC2)c2ccccc23)c1 67262702 AHQIEMWSMMHGEA-UHFFFAOYSA-N 446.986 5.053 0 40 IKAB c1ccc(-c2cc(-c3nn4c(CN5CCCCCC5)nnc4s3)c3ccccc3n2)cc1 71260620 NGKDUUKDTZXPCW-UHFFFAOYSA-N 440.576 5.444 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)c1c[nH]c2ccccc12 89857526 XROWVZFSLYJVPR-UHFFFAOYSA-N 428.492 5.530 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](C)CC(O)=C3[C@@H]2c2ccco2)cc1 102678936 IUSQNTVMGODUCY-LMKMVOKYSA-N 428.488 6.004 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 102681687 ZCLHYOSGLYGZBR-ADLFWFRXSA-N 444.457 5.157 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1OC 102731728 CYLUTXFFSVLOFB-HJPURHCSSA-N 432.476 5.314 0 40 IKAB Cc1cccc(N2CCN(C(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)c1C 102978719 HAPGNJBSQDTHAF-LMHXZZLNSA-N 445.445 5.076 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1N/C=C1\N=C(c2ccc(C)cc2)OC1=O 103648568 IDUCIYATEATNBI-WJDWOHSUSA-N 438.530 5.219 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 106683039 XIGHWKCOBWPFRW-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1OCC(C)C 106689468 VCTHSTRWINXNNN-MTJSOVHGSA-N 429.513 5.496 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 107645719 IJKFPKXHMKTNNM-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 107888069 SQUDDCPDJRMPCT-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Br)ccc2o1 108056824 UNYZZWOZTLLHQJ-UHFFFAOYSA-N 434.746 5.937 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 138812897 IAANIILWPQCRCO-YJPXFSGGSA-N 446.330 5.020 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222845618 XDMUUKMZFMTPLQ-UXHICEINSA-N 429.998 5.860 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222943809 VGVOGOUBJXVLLC-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222985261 XRKXQWUBNGPLPR-YADHBBJMSA-N 435.549 5.121 0 40 IKAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1C 223799322 ZBWFBFCNAGHVDY-UHFFFAOYSA-N 439.577 5.050 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223848654 SILCAQFWSFVNHM-VGSWGCGISA-N 449.422 5.648 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224054573 KHJDCEZWSHKYGY-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 224282087 ZZIBWANHHDMOOE-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COc1ccccc1 224363423 KFUQATGSPIOTRO-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224379606 ZZIOYFOKSMDXHD-UIOOFZCWSA-N 439.584 6.642 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 224515004 YOGMYFZWYXTYTL-IBGZPJMESA-N 441.786 5.133 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 224525796 YNQBTKDWZKAVTD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224534513 IUACWBITWHTNQR-UHFFFAOYSA-N 439.939 6.195 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 224540884 XCMHZCODLPTZIU-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224884604 KCPHJFGEBVDMKR-UHFFFAOYSA-N 447.284 5.743 0 40 IKAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(I)c1 225008995 AMOBADNJCQKEIN-UHFFFAOYSA-N 441.312 5.442 0 40 IKAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520366 DAORLQFLBGZIGM-OYRHEFFESA-N 438.587 5.633 0 40 IKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225523167 JXMHHAGBINIOIP-FQEVSTJZSA-N 441.015 6.044 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OCC 225763898 ZMMMRKHVPMRTCC-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779465 MXSBHAAMAAZBIP-SFHVURJKSA-N 437.967 6.357 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)c1 225869815 RCPNAEPMSYOUBH-UHFFFAOYSA-N 435.637 5.662 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(C[C@@H](O)CC)n1 257269181 MOXBMXWMDKWOLE-IBGZPJMESA-N 426.488 5.004 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260752882 AFDUWHIQDBFDLX-ZYNUUPFYSA-N 432.593 5.395 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)cc1 408697438 HNRJGUABBZZXLM-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)Nc1c(C)cccc1C(C)C 408702213 LPATWAZWXNWSAY-UHFFFAOYSA-N 428.598 5.100 0 40 IKAB Oc1nc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)nc2sc3c(c12)CCCCC3 408989519 KYVBPLFQVQIEFH-UHFFFAOYSA-N 431.344 6.900 0 40 IKAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)N(C)C1=S 409034174 PPXNFSYGNAHRNC-YVLHZVERSA-N 439.339 5.131 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409314641 GLXFMQVVIKLBOM-RELWKKBWSA-N 432.951 6.049 0 40 IKAB O=C(COc1ccc(CNc2ccc(Br)cc2)cc1Cl)Nc1ccccc1 409376023 SIYNPWJSHGFEAC-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccc(Cl)cc1)c1ccc2[nH]ccc2c1 593807274 QIUVQNSWQBUBFL-UHFFFAOYSA-N 429.907 5.553 0 40 IKAB Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCOCCO2 643566563 SIFXTQRSXSAXRW-UHFFFAOYSA-N 432.564 5.170 0 40 IKAB COc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 830051 YCYGVALLZKTSPY-FNZWTVRRSA-N 442.559 5.865 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NCc3ccccc3)cc2c1 875269 SYSOAPSPWNJWIJ-UHFFFAOYSA-N 445.563 5.053 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)Nc3ccc(C)cc3C)cc2c1 885036 XSHBAKWMOULPNK-JOCHJYFZSA-N 449.620 5.085 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc(C(=O)N(CC)CC)c1C 995902 KCHJKBABEULGKB-JLHYYAGUSA-N 448.972 5.021 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)C(c1ccccc1)c1ccccc1 1268692 MCQUYPBQXPRLHX-UHFFFAOYSA-N 431.344 5.344 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 1320473 CKVCCWUCNBIFHF-AREMUKBSSA-N 433.935 5.273 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 1371045 YRAFGJOYPYIJFI-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB COc1cc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2C)c(Cl)cc1Cl 1397937 PTNDSAVCHGWUFR-UHFFFAOYSA-N 425.703 5.105 0 40 IKAB Cc1cc(=O)oc2c(C)c3oc(C(=O)c4ccc(Cl)cc4)c(-c4ccccc4)c3cc12 2186366 FBYZZPVBSSKXAB-UHFFFAOYSA-N 428.871 6.707 0 40 IKAB biogenic CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2Cl)cc1 2213725 MKADPVNXOQSXRI-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n12)CCC3 2231026 ZYTSTFGAZPFPKG-UHFFFAOYSA-N 428.970 5.019 0 40 IKAB Cc1ccc(CNC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc23)cc1 2254292 PKACMAKDIWJNJF-UHFFFAOYSA-N 439.563 5.296 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Cl)cc1 2261634 IXYIJLHCGJQBFF-UHFFFAOYSA-N 442.327 5.928 0 40 IKAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC1c2ccccc2-c2ccccc21 2319977 GQFIIQPTMLUNPJ-UHFFFAOYSA-N 438.527 5.119 0 40 IKAB CCCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@@](C)(CC)C4 2356217 OLDCQPMWXOVQCY-FQEVSTJZSA-N 436.672 5.975 0 40 IKAB O=C(O)c1c(Sc2ccc(Br)cc2)c(-c2ccccc2)nc2ccccc12 2576533 FULMXDVNTAGJEM-UHFFFAOYSA-N 436.330 6.514 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1OC 2694059 VBEDAKPVXRKHRW-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCCN(C)C)C3=O 2704259 HSYMGPNDNYBEEU-DEOSSOPVSA-N 432.564 5.030 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(C)cc4)ncnc32)cc1 2715197 WVNLFKAYASDVIO-UHFFFAOYSA-N 434.543 6.407 0 40 IKAB C[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 2792210 JBYGHBNAKJYHNY-LBPRGKRZSA-N 426.301 5.839 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1cccc(C)c1 2984321 RZHKMUVPSMNXCQ-HAVVHWLPSA-N 443.499 5.196 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl 3180382 IBNCSKDJHIAUMN-RXVVDRJESA-N 433.379 5.295 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 3190506 ZPMFOXYDBIWTPA-OGKDHEGQSA-N 429.519 5.801 0 40 IKAB biogenic CSc1ccc([C@@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 3231475 XTFDBMYVRUQQNX-QHCPKHFHSA-N 443.597 6.417 0 40 IKAB O=C(COC(=O)c1cc(Cl)nc(Cl)c1)Nc1cc(Cl)c(Cl)cc1Cl 3256121 SJCDQVSXFHCAGD-UHFFFAOYSA-N 428.486 5.144 0 40 IKAB Brc1cccc(OCCOc2ncnc3scc(-c4ccccc4)c23)c1 3362745 DRKHTEFNXCLFBP-UHFFFAOYSA-N 427.323 5.579 0 40 IKAB Cc1oc2c(C)c(OCC(=O)N3CCCCCC3)ccc2c(=O)c1-c1ccccc1Cl 3411475 LYPVQJKASZHDMZ-UHFFFAOYSA-N 439.939 5.512 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 4079184 MFXRPKFYWKDYMI-KAHMIBEXSA-N 444.637 7.499 0 40 IKAB CCOc1cc(NC(=O)c2sc3ccccc3c2Cl)c(OCC)cc1NC(=O)CC 6461907 PXKSRBNPDJEZPG-UHFFFAOYSA-N 446.956 5.953 0 40 IKAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(-c2cccc(Cl)c2)o1 8832387 BANJDOXQNDZUGO-UHFFFAOYSA-N 441.870 6.626 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 8868730 WRMZXHQOKNCQOF-QGZVFWFLSA-N 428.743 5.233 0 40 IKAB Cc1nc(SCc2cc(=O)n3cc(Br)ccc3n2)n(C2CCCCC2)c1C 9126760 DMFRFLXNSKYMOF-UHFFFAOYSA-N 447.402 5.068 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)n1c(SCc2ccc(F)cc2)nc2ccccc21 9176920 HBWKGXZPMGOLME-BEFAXECRSA-N 449.378 6.699 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1cccc(Br)c1 9363784 UTGGYAAUICQMEI-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB Cc1ccccc1-n1nc2c(c1NC(=O)COc1ccc(Cl)cc1Cl)CSC2 9404523 BKFNQIJPQQAAIQ-UHFFFAOYSA-N 434.348 5.252 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@@H](C)Oc2ccccc2F)o1 9580868 MQQOTKMBSLWEGF-KGLIPLIRSA-N 425.485 5.502 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccc(C)cc2)cc1 9644269 LMHJUELXOQXHBR-QHCPKHFHSA-N 433.602 5.801 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cc(F)c(F)cc1Cl 9715419 JIFKFBDJFSQVIY-UHFFFAOYSA-N 443.906 6.354 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc(C)c(C)n3C3CCCC3)cs2)cc1 9835721 OOHZQQYQPIXYCY-UHFFFAOYSA-N 440.638 5.853 0 40 IKAB COc1cc(CN(C)C(=O)/C=C/c2nc3ccccc3s2)ccc1OCc1ccccc1 9952835 FLTVVMSAARYJMP-CCEZHUSRSA-N 444.556 5.556 0 40 IKAB CC(C)c1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 11691954 QXAFCBBXCJWLOL-UHFFFAOYSA-N 432.531 5.833 0 40 IKAB CC[C@@H](C)c1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 12529613 WLMAUYANGCNLEK-MRXNPFEDSA-N 443.503 5.507 0 40 IKAB aggregator Cc1cc(C)c(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)c(C)c1 12631020 BRBPAZZCYSGMGR-UHFFFAOYSA-N 430.577 5.215 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 12781694 AYMDZPOBPPZNLO-UHFFFAOYSA-N 431.319 5.527 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1)c1cccs1 13117548 CLMJFJFPKVMANF-QGZVFWFLSA-N 447.585 5.630 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCCC2)cc1 13120767 REVBRUFGJLLGBA-QFIPXVFZSA-N 434.609 5.452 0 40 IKAB Cc1ccc(C(=O)CSc2nc(C)cc(SCc3c(Cl)cccc3Cl)n2)cc1 13424511 YONRFJHBQIYHJL-UHFFFAOYSA-N 449.428 6.668 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 13568050 KWTLWQNMRWFBGO-UHFFFAOYSA-N 444.274 5.466 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@]1(O)c1ccc(Cl)cc1 13590741 UMQHLMRDNWRFRP-QFIPXVFZSA-N 444.840 5.617 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCCC(C)C)cc2)n2c(nc3ccccc32)N1 13634686 WQAQCZGKPWKIBR-RUZDIDTESA-N 447.579 6.093 0 40 IKAB C[C@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 13955139 NPHFHNQVSPVRGE-AWEZNQCLSA-N 436.309 5.398 0 40 IKAB Clc1ncn(C23C[C@H]4C[C@H](CC(c5nnc(C67CC8CC(CC(C8)C6)C7)o5)(C4)C2)C3)n1 13959764 USMACBIOJNEQKM-MSLFNVQWSA-N 439.991 5.029 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 14272320 ZROWEYPDVYXREI-UHFFFAOYSA-N 442.559 7.177 0 40 IKAB O=C(Nc1ccccc1)c1nc(SCc2ccc(F)cc2)ncc1Sc1ccccc1 15860669 PLVHHXIJCLUFBY-UHFFFAOYSA-N 447.560 6.312 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 15880720 HZOZOHIWPDNLIW-UHFFFAOYSA-N 435.336 5.584 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 16751128 AFFAISRWTZNPIX-DEOSSOPVSA-N 425.484 5.327 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 16789332 UKVPKPMRRLSEMM-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3Cl)oc2c1 17097269 LUAIOQUWXKGGDU-NTUHNPAUSA-N 430.935 7.232 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)nc12 17097671 FFOAUBMCZULTSS-UHFFFAOYSA-N 431.586 5.558 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c1 17098543 CDXWJLVFAAFLPL-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19400551 OPUAYHSYFGHNBL-CJFMBICVSA-N 427.539 5.010 0 40 IKAB Cc1[nH]c2c(C)cccc2c(=O)c1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 19793688 RFYLPSLHBNRAPH-UHFFFAOYSA-N 437.587 5.052 0 40 IKAB CCOc1ccc2nc(S[C@H](C(=O)NCc3ccc(F)cc3)c3ccccc3)[nH]c2c1 19926681 FXQKQRGYKMYIHQ-QFIPXVFZSA-N 435.524 5.251 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2Cl)cc1 20107398 KISYOSKLFPWYCL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)c(Cl)c1 20110248 NOTSHSYRQKYFIE-UHFFFAOYSA-N 442.762 5.151 0 40 IKAB Cc1ccc([C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2)cc1 20493677 KOCFVGOCEUJXSP-HSZRJFAPSA-N 430.400 6.441 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 20609684 HNPKWBJMGLFVKC-SDNWHVSQSA-N 431.565 5.581 0 40 IKAB CC/C(=N\N=c1/[nH]c(C(F)(F)F)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 21946745 KYMJBVGHUPUWHD-CVKSISIWSA-N 444.309 6.784 0 40 IKAB CCn1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(=O)c2cc(Cl)ccc21 22234975 DHDNWZQUHRRORM-UHFFFAOYSA-N 443.934 6.055 0 40 IKAB COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c1 27922696 XIGSQJBKBOPWNM-UHFFFAOYSA-N 430.508 5.363 0 40 IKAB O=C(Nc1ccccc1Br)c1ccc(OCCSc2ccccc2)cc1 30858918 ZYXLRNCXYHPPMO-UHFFFAOYSA-N 428.351 5.873 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OC(F)(F)F)cc1 31952014 IKCCANNBQLTDCY-LBPRGKRZSA-N 440.368 5.328 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)N(C3CCC(C)CC3)C3CC3)c2)cc1 32796992 TYCRBZIDFBDCLO-UHFFFAOYSA-N 440.609 5.003 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cccc(OCc3cscn3)c2)c1 32900649 BCNBKWYAEPLNFD-UHFFFAOYSA-N 444.516 5.618 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1nc(-c2ccc(Cl)cc2)cs1 33716078 KICGGYDPCMUGCC-UHFFFAOYSA-N 442.953 5.168 0 40 IKAB O=C(O)CCC1CCC(c2cc(F)ccc2F)(S(=O)(=O)c2ccc(Cl)cc2)CC1 33965716 XCGJIFAKUZNNOR-UHFFFAOYSA-N 442.911 5.342 0 40 IKAB in-vitro CC(C)Oc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 34828168 CBYKRZUGLNQDMA-UHFFFAOYSA-N 431.989 5.244 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 44935789 PHGOGZYTTZQNRV-JOCHJYFZSA-N 429.402 5.237 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 59489717 VCWVPZNSFGLODX-AWNIVKPZSA-N 448.544 6.062 0 40 IKAB CC(C)(C)OC(=O)N1CCC(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)CC1 59936533 VSWQBGFRGRQJAZ-UHFFFAOYSA-N 448.485 5.502 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2Cc2ccccc2)cn1 72215792 WTHVZZBIDYHXQQ-XMMPIXPASA-N 429.564 6.492 0 40 IKAB Cc1nccn1-c1ccc([C@@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 79045090 ZQRZVUIDNIPUNT-CDXDBMBRSA-N 438.531 5.045 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(F)cc3)c2c1 100894209 DGJIZZOKWDKSJB-UHFFFAOYSA-N 436.508 5.657 0 40 IKAB COC(=O)c1c(-c2c(F)cccc2Cl)noc1/C=C/Nc1ccc(Cl)cc1Cl 100915086 SCGCBSSEFQGUHC-BQYQJAHWSA-N 441.673 6.310 0 40 IKAB COC(=O)c1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 102649816 SFMNJJGEYIVAIA-XMMPIXPASA-N 446.547 5.922 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1C 216031541 LRYPJTQRFPOGSQ-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223028317 ZYNUBEWPFQTCNH-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223040167 KLFPHZWMSYQQMW-JOCHJYFZSA-N 430.592 5.414 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 223978154 PTEGXZIBPJMSCM-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c(Cl)cc1Cl 223995476 SXIPZVFIXDXULU-UHFFFAOYSA-N 442.843 6.539 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c1 224354277 AHDCOHWBSHMJJB-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2)cc1COc1ccc(-c2ccccc2)cc1 224552854 GQQKCXOVBWXRDG-UHFFFAOYSA-N 437.539 6.892 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 224882634 STLFOQHPASTRLD-UXHICEINSA-N 442.559 5.462 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 224988417 IPPYRNLIYPTBSW-UHFFFAOYSA-N 427.903 5.532 0 40 IKAB COc1cc2c(cc1-c1c(C)noc1C)[nH]c1nc(C)nc(-c3ccnc4ccccc34)c12 225379241 AEANZCXROGPSBY-UHFFFAOYSA-N 435.487 5.915 0 40 IKAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 231423039 KDQCTUZGUPZLOQ-OAHLLOKOSA-N 427.397 5.018 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)CC2CCCC2)CC1 257248182 JCNLZKPRZZYDEA-UHFFFAOYSA-N 446.635 5.482 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1OCC 408529151 GGYRAIHLFMHMIM-UHFFFAOYSA-N 426.738 5.932 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 408553591 AUVQMZZDGFVJLT-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 408593401 MPOMKOHIWCDHST-UHFFFAOYSA-N 437.521 5.184 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(Cl)c2)c1 408696762 BREPSARJGJGQNP-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408976058 DWNBHEKSZNULOM-UHFFFAOYSA-N 446.514 5.072 0 40 IKAB O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1F 409068152 FWHJUBRFEZWYQK-YVLHZVERSA-N 431.250 5.485 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409076186 ZEMDWQSMIHNYDZ-UDPFGDFPSA-N 435.307 5.277 0 40 IKAB O=C(O)c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)c1 409107652 SUIFCSYLOUPQIO-UNOMPAQXSA-N 438.892 5.065 0 40 IKAB CCc1ccccc1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1c(C)cc(C)cc1C 409367330 RXEXQFOYYGDYMM-UHFFFAOYSA-N 442.625 5.136 0 40 IKAB O=c1c2c(-c3ccccc3)csc2nc2n1CC/C2=C\c1csc(-c2ccsc2)n1 513521470 SLOMYPUDXAVHQT-XNTDXEJSSA-N 445.594 6.254 0 40 IKAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C12CC3CC(CC(C3)C1)C2 521396615 XAZZLIGHCVLLNO-GFZBZYAOSA-N 445.559 5.585 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4cccc(F)c4[nH]3)o2)c1 1848353962 BEEATMCBGJMYMC-JOCHJYFZSA-N 433.483 5.262 0 40 IKAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)C3(c4ccc(F)cc4)CCCC3)n2)c1 2037834668 AWMRHEQOYZDFTL-XMMPIXPASA-N 445.538 5.467 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 840454 CGLLLBBDBBPICX-SECBINFHSA-N 436.076 5.004 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871235 VPHUEGPVJHNWOD-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 1381378 FPTUDJKLWGWKAY-OAHLLOKOSA-N 431.964 5.370 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccco1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 1382775 JATQTDLTOPJAAL-FQEVSTJZSA-N 446.425 5.338 0 40 IKAB O=C(Sc1ccc(Cl)cc1)N1CCN(C(=O)Sc2ccc(Cl)cc2)CC1 1572511 XWQWFIBZLCCZTR-UHFFFAOYSA-N 427.378 5.735 0 40 IKAB BrC1=C(c2ccccc2)SC(Br)=C(c2ccccc2)S1 1675852 DHWQDUCQQYSDNT-UHFFFAOYSA-N 426.198 6.909 0 40 IKAB Clc1nc2ccc(Br)cc2c(Nc2ccc(Br)cc2)c1Cl 1877755 WWEQUVZDMYPWTQ-UHFFFAOYSA-N 446.957 6.810 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2c(Cl)cccc2Cl)sc2c1CC(C)(C)OC2 2286464 TVPXTCJOEMNAOM-UHFFFAOYSA-N 442.364 5.264 0 40 IKAB Nc1c(C(=O)NCc2cccs2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2349493 MTCUIMBNALQYFC-UHFFFAOYSA-N 431.565 5.049 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2cccc(F)c2)cc1 2364422 AKFLXAFLWDMXMD-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OC)c4)c3)nc2c1 2592996 SXBHZUVIBUUBDU-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB CCCCNc1nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc12 2941568 AFDMHRDZRJTGLF-UHFFFAOYSA-N 434.487 5.591 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C 3235233 SXWZKJVOOWOLDD-UHFFFAOYSA-N 434.492 5.840 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3352434 SFXQEZBXTVCFOC-VAWYXSNFSA-N 444.840 6.263 0 40 IKAB CCOc1ccccc1C(=O)OCc1ccc(COC(=O)c2ccccc2OCC)cc1 3359949 AAARADKRERASGV-UHFFFAOYSA-N 434.488 5.198 0 40 IKAB Cc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c1 3364539 CCGNUZTVOBANFP-UHFFFAOYSA-N 432.614 5.986 0 40 IKAB COc1cc(C(=O)Oc2cccc3ccc(C)nc23)ccc1OCc1ccc(Cl)cc1 4064173 VNTLSFQYMLGUMA-UHFFFAOYSA-N 433.891 6.003 0 40 IKAB CCCCCC[C@H](CCCCCCCCCCC(=O)OC[C@H](C)CCC)OC(=O)CC 4897246 DHZVTDROULFHNL-JWQCQUIFSA-N 440.709 8.159 0 40 IKAB CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)c(C(F)(F)F)c1 8720271 HENCWONAEYMTIM-UHFFFAOYSA-N 428.476 5.007 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 8816745 MPRXCXOBOBBYHI-AHKZPQOWSA-N 428.532 6.070 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 8831242 LTMKYNHZXWEJFF-UHFFFAOYSA-N 447.539 5.118 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc([C@@H](C)Oc4ccc(F)cc4)o3)cs2)cc1 8966357 PSECNHPSVNYFGM-CQSZACIVSA-N 427.526 6.073 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 9142429 JFKWULSWMHNZJY-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 9192094 YUDCFTQZMXGTPD-QFIPXVFZSA-N 446.466 5.832 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9397251 LUEVWYISICJEBT-IGKIAQTJSA-N 428.532 6.116 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)Cc1ccc(-c2ccc(Cl)cc2)o1 9462588 MNMXXXDCGRVQKT-UHFFFAOYSA-N 448.954 5.473 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 9480313 MSIAFYHWHMGNHG-UHFFFAOYSA-N 436.625 5.919 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1Cl 9525796 LXMRDUQWXXIUCA-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ncnn3-c3ccccc3)ccc21 9614783 CDRDEQQLUPKFHY-UHFFFAOYSA-N 427.533 5.126 0 40 IKAB CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9633231 AQIBSPTWUNHBGZ-UHFFFAOYSA-N 440.528 5.139 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Cl)cc1 9782435 QBAUWFZICRJTEB-JTQLQIEISA-N 437.750 5.007 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1CCc1cccs1 9788846 PYFIMKZKKPQNRC-UHFFFAOYSA-N 429.592 5.496 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1C(=O)c1ccccc1 9872484 AFZYBPUGBFZHQE-UHFFFAOYSA-N 436.515 5.155 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)c(OC)c1 10218115 ULKHJZQGBHWLRG-UHFFFAOYSA-N 432.542 5.477 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1c(Cl)nc2sccn12 11055619 LMZFIQKNGHHHSQ-HXUWFJFHSA-N 444.871 5.153 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccc(F)cc1 12539692 OKPVQLSYZKLUBB-IBGZPJMESA-N 433.914 5.393 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1C(F)(F)F 12786041 HMNKSPBZUFZLTJ-UHFFFAOYSA-N 434.849 5.596 0 40 IKAB O=C(CSCC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Br)cc1 12858950 LVCIJJOLWUXUSW-UHFFFAOYSA-N 440.362 5.671 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1CCN(C(=O)C2CC2)CC1 12933448 UGSLNKLULWNWDA-UHFFFAOYSA-N 431.561 5.064 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccc(Cl)cc2)C1 13785629 OLZQGPCJZHUFQL-NRFANRHFSA-N 425.315 5.994 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2cc1C 16284196 IPPAHDFHACSTPS-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 17095993 DCTALRRCBJZSNB-UHFFFAOYSA-N 428.536 5.397 0 40 IKAB Cc1ccc(C(=O)N2CC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)s1 19216851 MVAXSIXSAJBSKJ-LJQANCHMSA-N 441.560 5.282 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 19636580 PCVDXSNMFJYQCG-LJQANCHMSA-N 442.559 7.440 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2cccc(Cl)c2)o1 19648476 SNOSQKVBHGFUGZ-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB CCc1ccccc1NC(=O)Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3 19996408 ZXLYMVGHFWNRGM-UHFFFAOYSA-N 443.572 5.205 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)Cc4ccccc4)ccc3o2)cc1Br 20970811 QRMDGDVBYAFFIF-UHFFFAOYSA-N 437.293 5.447 0 40 IKAB Cn1c(=O)n(C)c2cc(/C=C/c3sc4c(c3C(=O)NC3CCCCC3)CCCC4)ccc21 22528896 JCNFSCMFYRFPMC-FYWRMAATSA-N 449.620 5.050 0 40 IKAB Cc1cccc(Cc2cnc(NC(=O)c3cccnc3SCc3cc(C)on3)s2)c1 26384729 PPQVZHLWCSDXBD-UHFFFAOYSA-N 436.562 5.278 0 40 IKAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)N2CCCCCC2)oc2ccc(F)cc12 27581937 QFICAYOSCHINED-OAQYLSRUSA-N 428.935 5.881 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 27776708 AFTPSOOJOPTDHS-CYBMUJFWSA-N 426.929 5.399 0 40 IKAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccccc2Cl)cc1 28534855 QUDKZYMMSMCGBQ-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32114648 NLUIHXIZBSOEDF-UHFFFAOYSA-N 434.879 5.664 0 40 IKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc(OC)c(OC)c3)cc12 32986729 OIJPFAJMSRSHNT-UHFFFAOYSA-N 442.515 5.878 0 40 IKAB COc1ccc(CN(C[C@H]2CCCO2)C(=O)c2ccccc2-c2ccccc2)cc1OC 35314817 PONFQCMWRZLMAI-JOCHJYFZSA-N 431.532 5.192 0 40 IKAB Cc1nc(SCc2nc(-c3ccc(F)c(Cl)c3)no2)nc(O)c1Cc1ccccc1 44169048 QXLPWSXSXHZVKL-UHFFFAOYSA-N 442.903 5.216 0 40 IKAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44851611 HSOMZTISAIPAJV-UHFFFAOYSA-N 446.994 5.229 0 40 IKAB CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 46012339 KHMMRFDKLLMLLE-UHFFFAOYSA-N 449.894 5.473 0 40 IKAB Cc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005446 QQGKNZOJLWOYBJ-UHFFFAOYSA-N 444.457 5.453 0 40 IKAB O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc21 59488780 JOYBAURVRDKZJY-MUUNZHRXSA-N 437.495 5.666 0 40 IKAB CCCOc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228709 SJLJWWYTHCKJHW-UHFFFAOYSA-N 434.565 5.757 0 40 IKAB O=C(CSc1nc2ccccc2s1)NCCCCc1nc(-c2cccnc2)cs1 72272006 RJNFKNIQMVNLLL-UHFFFAOYSA-N 440.619 5.046 0 40 IKAB C[C@H](Oc1ccc(Cl)c(COC(=O)c2nc(Cl)ccc2Cl)n1)c1ccccc1 72300970 MHUNDSZRNIZIGN-LBPRGKRZSA-N 437.710 5.934 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCCCC5)cc34)cs2)cc1 96037885 HXEFYWGNFPVIHS-UHFFFAOYSA-N 447.560 6.080 0 40 IKAB Cc1ccccc1-c1ccc2c(-c3ncc(C(=O)N4CCC(N(C)C)CC4)s3)noc2c1 96154654 MVCRWVSIGBZRID-UHFFFAOYSA-N 446.576 5.093 0 40 IKAB COc1ccc(C(=O)N2C(=S)N(c3ccccc3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100034292 JIGYEHHLPICMSN-SQJMNOBHSA-N 430.529 5.183 0 40 IKAB COc1ccc2nc(NC(=O)NC34C[C@H]5C[C@H](C3)CC(c3ccc(C)cc3)(C5)C4)sc2c1 100556608 KVENMYLNZBETLA-NNKNXWDPSA-N 447.604 6.025 0 40 IKAB Cc1cccc(C)c1-n1nnnc1C1(N(Cc2ccccc2)Cc2ccccc2)CCCC1 102932670 JYUODMYLZAWUMS-UHFFFAOYSA-N 437.591 5.751 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 223283047 QQUKUMNXUUQERU-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3c(C)cccc3C(C)C)o2)cc1 223406668 GIOKJLSRSQYVJO-UHFFFAOYSA-N 440.565 5.093 0 40 IKAB Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1 223417796 IBXDDWUTFGPFCW-RUZDIDTESA-N 448.994 5.691 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(OC)c1 224587723 ZDXSJPNMXIZXGW-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)c(OC)c1 224938944 GMIASEAYCNWTSF-INIZCTEOSA-N 446.478 5.656 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)c(Cl)c1 225006814 WVIKSTBWQXAUJJ-UHFFFAOYSA-N 444.796 6.351 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225119884 HOBIDKQMCNKGPS-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225357422 UICKSCJGRMHAQN-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@@H]4C)cc3)CCCCC2)c1 225539847 NOMRMDVPMKGMCB-QHCPKHFHSA-N 434.624 6.089 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 226756200 QLPONDVJCDPCIN-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253562952 DWLFOMOFCITKAK-NEWJYFPISA-N 431.919 5.733 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5Cl)o4)C3)c2c1 257250095 JLAFCIFWCPIGJX-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB Oc1cc(-c2ccc(Br)cc2)c(O)c2c1C1c3ccccc3C2c2ccccc21 261828071 AASOJMDITGCZSX-UHFFFAOYSA-N 441.324 6.515 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408559002 WYFFHMMGEJVZLF-DEOSSOPVSA-N 439.964 6.015 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@H](C)c1ccccc1 408560818 PIDBQIVEEQBXHR-GOSISDBHSA-N 430.577 5.012 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 408563330 VHZAHOQJGFXQAK-NMWGTECJSA-N 425.768 6.246 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)sc2n1 408620122 KLMUDVODSOBDQZ-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1 408695515 RBVUXKWBSDANMT-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB Cc1ccc(-c2ccc(/C=C3\SC(=N)N(c4ccc5c(c4)OCO5)C3=O)o2)cc1Cl 408978907 OMGSKFXVHHOQHH-LARPDJSXSA-N 438.892 5.693 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409088294 WRHBRZOFJKYFFT-PDGQHHTCSA-N 435.376 5.986 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 409090424 QQWVPXJHLZKIRC-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O 409156254 RNWKHKIEMHTMDH-OQLLNIDSSA-N 435.332 5.285 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3cccc(F)c3)Cc3ccccc32)c1 643563028 FHGQQBWXIWTLAK-UHFFFAOYSA-N 446.566 6.057 0 40 IKAB CCN1CCCCCN(C(=O)CC(C)(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643583583 XCOLFDHLARTFQF-NRFANRHFSA-N 430.633 5.391 0 40 IKAB COc1ccc(C=C(NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)NCc2ccccc2)cc1 1857793709 QJVNPLANQPKFMK-UHFFFAOYSA-N 442.559 5.080 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1-c1ccccc1 869077 ALBLFTRDWQOASD-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CC(C)[C@H](c1nnnn1Cc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl 1338426 CLDXLYXDCHAPHT-XMMPIXPASA-N 446.986 5.169 0 40 IKAB Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl 1405184 MQXBEGVGQLPUGF-UHFFFAOYSA-N 447.215 5.585 0 40 IKAB CCCOC(=O)COc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 1770048 GJVVGORENXZDQV-UHFFFAOYSA-N 436.382 5.245 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccccc1 1773781 KVFANBGLKPWKJC-SANMLTNESA-N 440.930 6.690 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2084931 CGVOXHHSRATXNZ-CQSZACIVSA-N 433.545 5.232 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(CC)cc1 2184817 SNUWYHPIYIGPSU-UHFFFAOYSA-N 425.550 5.396 0 40 IKAB CCCOc1ccc(C2OCC3(CO2)COC(c2ccc(OCCC)cc2)OC3)cc1 2328061 DPQWDAIGWSCBGA-UHFFFAOYSA-N 428.525 5.042 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1C 2448927 YHWURCUHQOLOOQ-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1 3271292 ZKBUHONBQFFKND-UHFFFAOYSA-N 449.717 6.266 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@@H](C)CCC[C@@H]3C)sc2c1Cl 3280475 KENQHIAPXPYKAN-QWRGUYRKSA-N 430.353 5.163 0 40 IKAB C[C@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 3329351 HPUHSVUKEMRUDV-IBGZPJMESA-N 441.483 5.581 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)NC2CCCCC2)c1C 3640059 OFVGVXUGNUIOJL-UHFFFAOYSA-N 448.972 5.201 0 40 IKAB CC(=O)[C@@H]1C[C@@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 4046866 VGHIIJSHMNDPAA-OIFPXGRLSA-N 444.534 5.824 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(F)c1 4122550 YFJXJZHFNSYQGI-UHFFFAOYSA-N 437.521 5.238 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 4182184 CXBAWHGUKNBWGS-VWLOTQADSA-N 439.386 7.520 0 40 IKAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](c3ccccc3)C[C@H]12 8773745 RRYJEBVHIBXFON-UTKZUKDTSA-N 427.466 5.323 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc2c(Cl)cccc12 8832050 GKWAUBRBTDVXDT-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1Cl 8832319 XHEXPRDHLWXBBP-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9027203 UPFICGUZUKUTDN-UHFFFAOYSA-N 449.407 5.817 0 40 IKAB CCc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)cc1 9553649 NKBYURMJEQTNQQ-UHFFFAOYSA-N 440.550 5.213 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 9578704 NJRVOFFXSFPFDT-JOCHJYFZSA-N 448.617 5.556 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl 9607206 CEYIYXHTWUWYOJ-RUZDIDTESA-N 447.966 5.245 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1F 9727323 HPFWRWLPEKRHSR-UHFFFAOYSA-N 445.947 5.836 0 40 IKAB O=C(c1ccc(-c2cccc(Cl)c2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 9730219 RVKLUABJUAFSMZ-UHFFFAOYSA-N 449.378 5.508 0 40 IKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N(c1ccccc1)C1CCCCC1 9951472 FRZLLRAFDSTCIB-UHFFFAOYSA-N 446.620 5.662 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(CC3CCCC3)[nH]2)cs1)c1ccccc1F 11885815 NMHQDZHMZAUPIZ-UHFFFAOYSA-N 431.562 5.110 0 40 IKAB Cc1ccc(C)c(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1 12062288 ZLTGRIXAPFZFEL-UHFFFAOYSA-N 437.609 5.083 0 40 IKAB COCc1cc(C)nc2sc(-c3cc(-c4ccc(OC)cc4)no3)c(-n3cccc3)c12 12445378 RNFMFVFXGFFIJD-UHFFFAOYSA-N 431.517 5.872 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)Cc2csc(-c3ccco3)n2)nc1-c1ccccc1 12544606 JPUPXCPXPPVENV-UHFFFAOYSA-N 447.545 5.108 0 40 IKAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 12582099 SWVYXEXCMNYXQZ-RUZDIDTESA-N 442.559 5.214 0 40 IKAB Cc1ccccc1C1=N/C(=C\c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O1 12648429 ZSZNHDSXIRAFDN-XKZIYDEJSA-N 438.310 6.225 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C[C@@H]2CCCO2)c1C 12733120 PPJIHOBNLXSFMX-CTNGQTDRSA-N 435.593 5.465 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc2ccccc2s1 13059317 GSDLHXKYUHNMGM-UHFFFAOYSA-N 442.484 5.071 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 13098413 LZJPZRASLCBUEO-RYUDHWBXSA-N 446.520 5.062 0 40 IKAB CC(C)c1ccc([C@@H](NCC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 13128044 GQGZGVRBYNZNMQ-AREMUKBSSA-N 449.620 5.026 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(C3CCCCC3)o2)cs1 13128443 OFTQUFIGINNIJK-UHFFFAOYSA-N 428.583 5.356 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3coc4cc(C)c(C(C)C)cc34)n2)cc1C 13129601 LXKVHEYWNTVMJW-UHFFFAOYSA-N 432.589 7.095 0 40 IKAB O=c1c2ccccc2nc(SCc2nc3ccccc3s2)n1Cc1ccc(Cl)cc1 13130422 APHSIRVPOMNMLD-UHFFFAOYSA-N 449.988 6.000 0 40 IKAB CC(C)NC(=O)CSc1ccccc1C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 13131331 YENDWEIANLRIQU-ZDUSSCGKSA-N 425.381 5.101 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)cc1 13672506 RNIDRFMTBSNKOI-INIZCTEOSA-N 440.952 5.041 0 40 IKAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 13945802 OURBYRVWXHQSSE-XMMPIXPASA-N 429.907 5.395 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 14154258 DNUNHKVVAKMKKF-UHFFFAOYSA-N 436.577 5.590 0 40 IKAB Cc1sc2nc(CN3CCCC3)nc(Oc3ccc4c5c(c(=O)oc4c3)CCC5)c2c1C 15163406 MPONYCNOZZKCQS-UHFFFAOYSA-N 447.560 5.291 0 40 IKAB Cc1csc(Sc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)n1 15165559 KDEJOVWDYUPXKR-UHFFFAOYSA-N 446.648 5.168 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 15881514 WSVRVRDRCKWKPV-UHFFFAOYSA-N 428.414 5.472 0 40 IKAB Cc1cccc2c(=O)n(CCC(=O)Nc3ccccc3Oc3ccccc3Cl)cnc12 16471046 SMVASAXDNQHTKL-UHFFFAOYSA-N 433.895 5.179 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3o2)cc1 16691935 VFOVARUPFGSJKJ-OVCLIPMQSA-N 443.528 5.420 0 40 IKAB COc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCCC2)c(OC)c1 16769034 FPOBLVJXCWVZEJ-UHFFFAOYSA-N 442.559 6.033 0 40 IKAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 17095188 OTDOQOZEBSSIMD-ZRDIBKRKSA-N 426.925 5.443 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 17097149 XOFXYFMTUPFWMK-QGZVFWFLSA-N 430.573 6.803 0 40 IKAB Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 17097821 LNZPHZWYBBZGSH-HWKANZROSA-N 432.332 5.483 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)[nH]c(=O)c12 17189528 PHBUZFXTAKBFTL-GXTWGEPZSA-N 440.594 5.785 0 40 IKAB CCOc1ccc(Nc2nc(N3CCC(C)CC3)nc3c2cnn3-c2ccccc2)cc1 17308004 VOINYRZUDFIMIF-UHFFFAOYSA-N 428.540 5.194 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(C3SCCS3)c2)c1 18216744 FURYISFVXXYDIR-UHFFFAOYSA-N 428.608 5.033 0 40 IKAB O=C(C1CCCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294074 YXSSGIFMETVLNE-HXUWFJFHSA-N 445.542 5.318 0 40 IKAB O=C(c1cc2c(F)cccc2[nH]1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19345267 QJFIAPOWVNTMAM-UHFFFAOYSA-N 430.405 5.222 0 40 IKAB COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)c(OC)c1OC 19552775 PWNMYQPVBJLJHS-GOSISDBHSA-N 428.554 5.546 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 19646558 JMNZPRZDGMLAIS-UHFFFAOYSA-N 447.709 5.398 0 40 IKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](NCc1ccccc1)c1ccc(F)cc1 20812984 ISPYDUOLRBHRMZ-AREMUKBSSA-N 447.446 6.965 0 40 IKAB CCn1cc(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236777 BJXFIQNYNSMKPP-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 22508972 WZJNRAUQBVGQFI-UHFFFAOYSA-N 434.561 5.248 0 40 IKAB CC(=O)Nc1cc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1F 24984773 PHBYSBIUXHUSQZ-NRFANRHFSA-N 445.416 5.595 0 40 IKAB CCN(C(=O)COc1ccc(OC)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993175 QYKCOYAULRCZKI-MHZLTWQESA-N 428.532 5.502 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccccc1Br 32127525 WXSALNSFXZEPQH-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB CC(C)(C)[C@H]1C/C(=C/c2ccccc2C(F)(F)F)c2nc3ccccc3c(C(=O)O)c2C1 33732221 FYOLBVHLKZRVDS-WBILKINKSA-N 439.477 7.101 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cnc(C)n1-c1nc(-c2cccs2)cs1 35682740 LWLRGBVFRMWCGT-UHFFFAOYSA-N 430.942 5.280 0 40 IKAB O=C(NC1CCCCCCCCCCC1)c1cc(-n2cnnc2)ccc1Br 35684176 STQYILUNCIGXMK-UHFFFAOYSA-N 433.394 5.433 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 36351246 IHTUQSVNUBACSA-BNAYCWRJSA-N 432.564 5.773 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)c(C)c1 36802573 LWJQPOOSVOPCJJ-UHFFFAOYSA-N 437.565 6.153 0 40 IKAB CCOc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1 38652115 NBUUFELORNVCPY-UHFFFAOYSA-N 441.354 5.527 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 44915838 URVYDMRFVUPNDN-UHFFFAOYSA-N 432.951 5.422 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1ncc(-c2ccc(Br)cc2)o1 45922579 LPDUEZBGZHWVIV-UHFFFAOYSA-N 437.746 5.797 0 40 IKAB Cc1oc(-c2ccccc2)nc1CN1CCC[C@H]1C(=O)Nc1ccc(Cl)cc1Cl 48272423 AFZUTMCKOPVXAQ-FQEVSTJZSA-N 430.335 5.560 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(Cl)cc1Cl 59472913 MGXKVEKIQHFSJJ-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB Cc1ccccc1-c1cc(NC(=O)CSCc2ccccn2)n(Cc2ccccc2)n1 78729294 UKCDHCYIRVFQED-UHFFFAOYSA-N 428.561 5.174 0 40 IKAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 101715047 LFHRIHWUOKXWMB-WZONZLPQSA-N 440.012 5.083 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OC(C)C)C1=O 106746291 RRLRRWVDDHJXOU-MOSHPQCFSA-N 427.522 5.007 0 40 IKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C2=O)cc1 106787658 BVDVNTCHMBRISZ-STZFKDTASA-N 439.920 6.024 0 40 IKAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc3c(cc12)CCCCCC3 215735599 TWQQTKMVECPDPA-UHFFFAOYSA-N 435.471 5.688 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222938282 FCCTUFMXUMGRBQ-SFTDATJTSA-N 446.403 6.277 0 40 IKAB Cc1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)ccc1NS(=O)(=O)c1ccccc1 222943624 KTUTXIOWYPEGIW-IBGZPJMESA-N 448.588 5.166 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC1CCCC1 223777636 KCHRJYVRXSYLLK-QFIPXVFZSA-N 448.651 5.701 0 40 IKAB COc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224213801 HRTNKIVERCCHRY-UHFFFAOYSA-N 429.560 6.394 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc2ccccc2c1 224315303 COVMQZSVSCMNSM-UHFFFAOYSA-N 447.918 6.342 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@H](CC(C)C)c2ccccc2)cc1NC(=O)C(C)C 224332459 WWHZZIUAPJHXMF-LJQANCHMSA-N 434.627 5.069 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1c1ccc(Cl)cc1 224480645 ZUIDLKGQRIGZBI-PKTZIBPZSA-N 430.964 5.703 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 224501936 MJCMJFRQVIRAHH-NRFANRHFSA-N 435.395 5.178 0 40 IKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224536141 HPEFHCNGUFNVNB-OAHLLOKOSA-N 446.981 5.260 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(Cl)c(C)c1 224547750 HWWIUXBEKDWXKR-UHFFFAOYSA-N 435.951 5.825 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3cccc(CN4CCCC4)c3)cc2)cc1 224592654 IJRWBMHFTLATDX-UHFFFAOYSA-N 430.617 5.813 0 40 IKAB Cn1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224653852 LYSSFDYSQXZDCT-RPWUZVMVSA-N 426.545 5.390 0 40 IKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(Cc2ccccc2)n1 257286811 PNDORRAXYJSVLH-UHFFFAOYSA-N 428.488 5.371 0 40 IKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 408563385 VOWJDMAUUIWRFN-LNVKXUELSA-N 445.382 5.366 0 40 IKAB CCCCc1ccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)cc1 408620838 MLXSOCICSLESKE-UHFFFAOYSA-N 440.638 5.998 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccc(C)cc1 408808980 GCPIVGMUXJWJBU-NVMNQCDNSA-N 448.338 5.011 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 409097777 HHGSCQPWAHBAHW-UHFFFAOYSA-N 443.359 5.937 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409119772 UEOFJYZEPCBEIO-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409184463 YCLGNDXJVGIKFV-VYVDHXHBSA-N 438.549 5.156 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3cncs3)cs2)cc1 1615189556 ZIJHBTNSIMILDA-IBGZPJMESA-N 426.611 5.487 0 40 IKAB Cc1cnc(Nc2cccc([C@H]3CN(C(=O)C4(c5ccccc5)CCCC4)CCO3)n2)s1 2037834710 FWLQEMOWVHUVLN-OAQYLSRUSA-N 448.592 5.002 0 40 IKAB O=C(NC(=S)N(Cc1ccccc1)c1ccccc1)c1ccc(Br)cc1 827124 RTUNXEVYJJZCIU-UHFFFAOYSA-N 425.351 5.171 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1 878650 JZKNDKRRBXNFKQ-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(Cl)c(Cl)c1 902294 WAHUWAQEDCTLFK-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccccc2SCC(=O)N2c3ccccc3C[C@@H]2C)cc1 929802 GVEDXZPOKDWYMY-IBGZPJMESA-N 446.572 5.082 0 40 IKAB COc1cccc(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc2cccnc2)c1 1360834 FKYCHXGKGFOXIV-UHFFFAOYSA-N 445.592 5.025 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)Nc3ccccc3C)cc2c1 1364791 IHJODQRYDASRJH-UHFFFAOYSA-N 433.939 6.641 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O 1371286 LORAHOFLLOIQGC-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3cccc(Br)c3)c(=O)oc2cc1O 2181951 AJWHOYLWOMTONI-UHFFFAOYSA-N 444.325 5.636 0 40 IKAB COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1 2292876 QRXICAQHVSTIDH-HNNXBMFYSA-N 428.623 5.719 0 40 IKAB COc1cc(C(=O)N(c2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc(OC)c1C 2649188 TYOXEWMRBBGVBQ-UHFFFAOYSA-N 448.519 6.253 0 40 IKAB Cc1cc(C)c(NC(=O)CCCSCCCC(=O)Nc2c(C)cccc2C)c(C)c1 2655043 SMNVIORSICIHKE-UHFFFAOYSA-N 426.626 6.100 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1Cl 3229441 IMNPHTIEPSAWJV-UHFFFAOYSA-N 448.906 5.833 0 40 IKAB O=C(COC(=O)c1ccc2c(c1)OCO2)Nc1ccccc1Sc1ccc(Cl)cc1 3283206 DILYKUJKCLMQSN-UHFFFAOYSA-N 441.892 5.015 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(Cc4ccccc4Cl)c3C)ccc12 3314806 MMISBHPIUIZQOB-UHFFFAOYSA-N 435.907 5.483 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 4109882 PJWAKHGRFQUXKH-UHFFFAOYSA-N 448.872 6.861 0 40 IKAB CN(C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)C1CCCCC1 6564864 HVWXOJKDXUPMEU-UHFFFAOYSA-N 427.548 5.560 0 40 IKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8848065 RPESGGLWOMMCMK-GOSISDBHSA-N 437.927 5.160 0 40 IKAB C[C@@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@H]1n1c2ccccc2c2ccccc21 9245295 FPILFFLXHSKNOF-GBJTXXJHSA-N 446.550 7.424 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 9308925 IHFCXYCQLDXVDQ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccc(Br)cc1 9391580 JIMMKZQFEKTDMW-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)CC2 9409788 BVMJKYRIZBSVLQ-MRXNPFEDSA-N 447.560 5.172 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 9449741 UIUCASZYKGGOFI-HXUWFJFHSA-N 428.444 5.292 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2)cc1OC 9462507 BJRKGMZPAMLMSK-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB CCc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 9498727 LRWZYXWWSLZINR-QGZVFWFLSA-N 428.561 5.820 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1OC 9601132 RTAJPLOOJBLFNU-UHFFFAOYSA-N 435.549 5.104 0 40 IKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 9608147 UQHNETBLBCCRSD-KRWDZBQOSA-N 434.536 6.034 0 40 IKAB COc1ccc(-c2[nH]c(-c3cccc(OC)c3)nc2SCC(=O)Nc2ccccc2)cc1 9674180 FYBQSAINBWCAFC-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCc2ccccc21 9737821 XXKFVUVQBKXGEA-MRXNPFEDSA-N 429.520 5.506 0 40 IKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)CCSc3ccccc3)nc12 9829706 QFBAOBVLPJQQFY-UHFFFAOYSA-N 435.574 5.416 0 40 IKAB Cc1csc(S[C@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 12530379 VGIYQLRVSLYQNB-SECBINFHSA-N 430.407 6.001 0 40 IKAB CC(C)Cc1cc(C(=O)O[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2n1 12880565 PKOWGEQQJKSWTC-AREMUKBSSA-N 444.575 5.780 0 40 IKAB CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)NCCc3ccccc3)cs2)cc1 13012687 XIVXACKVTRYOKH-KRWDZBQOSA-N 426.607 5.189 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2C)cc1 13026653 OKLGEXYWYHYMGJ-RUZDIDTESA-N 446.547 5.352 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)c2c[nH]c3ccccc23)cc1 13038527 MNOIIAHXFHHBCG-DEOSSOPVSA-N 428.532 5.526 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 13117541 JLYFIZYLSPZDNE-CQSZACIVSA-N 440.594 5.300 0 40 IKAB COc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14269766 UVEHOYPUVWNPDE-DHZHZOJOSA-N 447.343 5.788 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 14269894 IYVNGMBMVNGRSL-UHFFFAOYSA-N 443.528 5.374 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1C 15975029 VCFLPNOJZJGLNZ-QGZVFWFLSA-N 448.589 5.029 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 16610847 DQEUDPNEVHMJFZ-FQEVSTJZSA-N 446.550 7.928 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 17041003 CGGGLIQWTCWPQH-UHFFFAOYSA-N 447.585 5.490 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1sc2ccccc2c1Cl 17101691 DBKPCSOZFAGVEL-UHFFFAOYSA-N 437.731 7.479 0 40 IKAB CCc1cc2c(CSc3nnc(-c4cccs4)n3C3CC3)cc(=O)oc2cc1O 17271357 RFCINWAFNVVTJV-UHFFFAOYSA-N 425.535 5.008 0 40 IKAB O=C1N=C(N(Cc2ccccc2)Cc2ccccc2)NC1(c1ccccc1)c1ccccc1 17289070 ITONYFVJBLAYNH-UHFFFAOYSA-N 431.539 5.118 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(OC)cc2)Nc2ccccc2S3)cc1 19636388 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C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 40069411 YPWLTJYKLCRXDW-ZDUSSCGKSA-N 433.733 5.568 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccccc3Cl)CC1)CC(C)(C)O2 44855227 HYCRSJRIDLIWPS-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 59294521 GOBJUANTLCNJCM-AWEZNQCLSA-N 428.598 5.065 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccccc3OCc3ccccc3)no2)CC1 72328598 NYWGLLUREXARNC-UHFFFAOYSA-N 435.524 5.430 0 40 IKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCN(C(=O)CCc3nc4ccccc4s3)C2)n1 72374786 QFJFSAHFXMMMMT-QFIPXVFZSA-N 441.600 5.539 0 40 IKAB CC1(C)CC2=NC(Nc3nc4ccccc4s3)=N[C@@H](c3cccc(Cl)c3)C2=C(O)C1 102664226 CIGNDKGUGDYVTN-FQEVSTJZSA-N 436.968 6.546 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1cccc(C)c1)C(C)C 108269874 AHVRUTVHNDAGMR-HXUWFJFHSA-N 443.016 5.679 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)N[C@H](C)c3ccccc3)c2C)cc1 138997676 IPTIVMLPUUNFPZ-HXUWFJFHSA-N 438.527 5.553 0 40 IKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 222800219 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6.194 0 40 IKAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)c(C)c1 225688222 ZESRDPTVLHTGNR-LJQANCHMSA-N 434.627 5.049 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OCC(C)C 225763779 UIFOHHYFVJUDLR-UHFFFAOYSA-N 443.971 6.002 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(Br)c2nc(N)sc2c1 226312314 UHKAHWMBFKYBOW-UHFFFAOYSA-N 440.750 5.091 0 40 IKAB Clc1ccc(N=C/C=C(/Nc2ccc(Cl)cc2)c2ccc(Cl)c(Cl)c2)cc1 254380804 MEDBKPAFNMCXLE-YUVKGNLYSA-N 436.169 8.156 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)C1)C1(c2ccc(Cl)cc2)CCOCC1 257224357 FBMFXPXEKVNPLC-HXUWFJFHSA-N 448.994 5.418 0 40 IKAB CCc1c(CN2CC[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc2n1C 257230590 GCZMLCKEAAABQG-SFHVURJKSA-N 445.632 5.647 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(Cc2ccccn2)CC1 257312693 UPDRZKMRWGGLJD-UHFFFAOYSA-N 441.619 5.407 0 40 IKAB CCOc1cc(COc2ccc(Br)cc2CO)ccc1OCc1ccccc1 408539012 DLHFYAAQDHHSKO-UHFFFAOYSA-N 443.337 5.498 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)c(Cl)c2)c1 408696904 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CC(C)(C)[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)C1 1223124 BYPKLUDXPSCZDH-CYBMUJFWSA-N 429.586 5.712 0 40 IKAB COc1cccc(NC(=O)N(Cc2cccnc2)Cc2cc3cccc(C)c3nc2Cl)c1 1367617 PTPWQVMODCPAAZ-UHFFFAOYSA-N 446.938 5.835 0 40 IKAB CC(=O)c1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2247766 NGLXEECTLKWCPH-UHFFFAOYSA-N 443.304 5.601 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1sc2ccccc2c1Cl 2694984 NFJASFSMHKEBDG-UHFFFAOYSA-N 448.400 6.462 0 40 IKAB O=C(Nc1ccc(CS(=O)(=O)c2ccc(F)cc2)cc1)c1cc(Cl)cc(Cl)c1 3116612 QODAMKXFEXVZGY-UHFFFAOYSA-N 438.307 5.359 0 40 IKAB Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 3269305 UZNNJZYGNAWUPT-UHFFFAOYSA-N 426.467 5.949 0 40 IKAB Cc1cc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2c2ccccc12 3274333 GIXKFORFZVQMQS-UHFFFAOYSA-N 436.625 5.777 0 40 IKAB CCCCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 3282905 SDLHTLSVUQXTKE-UHFFFAOYSA-N 443.041 7.081 0 40 IKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 3283378 IRIJPODRPLROHK-QHCPKHFHSA-N 435.487 5.431 0 40 IKAB CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3ccc(Cl)cc3Cl)c2c1 8383370 URPBOAHQUUGPFN-UHFFFAOYSA-N 435.354 7.332 0 40 IKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc(Cl)cc(Cl)c1 8686336 YHDSJERFQPOFFM-UHFFFAOYSA-N 426.303 5.561 0 40 IKAB Fc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2ccccc2)cc1 8766720 CJLUCNHEDQSJNW-QHCPKHFHSA-N 444.469 6.370 0 40 IKAB COc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1 8831955 SHVGXIHHKYKWKV-UHFFFAOYSA-N 446.356 5.321 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c(F)c1F 8832101 MEYMPSBICXKVIA-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccc(Cl)cc5)o4)o3)cc2C1 8861841 OBFCQYNCAVFRJK-LLVKDONJSA-N 444.969 5.919 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1cccs1)Cc1cccs1 8936346 PLMRPFYLIYIVKH-UHFFFAOYSA-N 436.606 5.253 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)s2)c1 9120314 UCFXZLDTPOFDSI-GOSISDBHSA-N 442.610 5.162 0 40 IKAB Clc1cccc(Cl)c1CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9200165 BGKAQHIFKTXPMO-UHFFFAOYSA-N 427.356 6.849 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c(C)c1 9347261 MIYQDSOIANTJDZ-UHFFFAOYSA-N 425.557 6.155 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)cc1 9587122 ORIYKYFIEPDPJY-UHFFFAOYSA-N 431.970 5.543 0 40 IKAB Cc1ccccc1OCC(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 9846196 XTINDKHHSBPYMX-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB CC(=O)c1ccc(NC(=O)CN2C(=O)CC(c3ccc(C)cc3C)=Nc3ccccc32)cc1 10273936 ISGOTTZZBCBNPO-UHFFFAOYSA-N 439.515 5.002 0 40 IKAB Cc1cc(C)cc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667353 NXSLIWNMJNSIRQ-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3n2-c2cccc(C)c2)cc1 12535255 AOCFWVGJOSQDAJ-UHFFFAOYSA-N 430.533 5.023 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)c1ccc(C2CCCCC2)cc1 12656335 CVANTLQCDSVNBD-UHFFFAOYSA-N 426.585 7.048 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1csc(-c2ccc(Cl)cc2)n1 12813043 ZZROSWVTLXUAHS-UHFFFAOYSA-N 436.364 5.196 0 40 IKAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1C1CC1 12862800 APHPZJZTYRYHQZ-AWEZNQCLSA-N 449.605 5.241 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3cccc(I)c3)n2)cc1 13041742 AOPWLBBAWFFKIT-UHFFFAOYSA-N 434.302 5.229 0 40 IKAB O=C1/C(=C\Nc2ccccc2Cl)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 13304379 RLZZRFHWOUQUAH-SSZFMOIBSA-N 442.824 5.999 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCN(Cc2ccc(Cl)s2)CC1 13324960 VVWWOEADOKRMDE-UHFFFAOYSA-N 438.302 5.423 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 13502392 ADZALPUICKMLFS-RUZDIDTESA-N 445.538 5.366 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(I)ccc1Cl 13602453 IQIXMVBOCMJDPG-UHFFFAOYSA-N 445.687 5.768 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)cc1C 13667713 RTOBZBSAYIAHGG-IBGZPJMESA-N 434.561 5.004 0 40 IKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 13676722 LBRINPAYEBWNQK-UHFFFAOYSA-N 442.751 6.381 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14665320 OWBFLSLYRITAKY-HXUWFJFHSA-N 444.575 5.363 0 40 IKAB Brc1cccc(CSc2nnc(-c3ccncc3)n2Cc2ccco2)c1 16756273 SDTWMIXTXUCJCR-UHFFFAOYSA-N 427.327 5.036 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc(Cl)cc2)c1 16956479 IJPRBBKZKHPKOP-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB Cc1ccc2nc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 17098559 YTFFMCASVJSECV-UHFFFAOYSA-N 433.558 5.311 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 18247445 UUCPGQGQBLTFRC-MYNGYRLFSA-N 449.337 5.255 0 40 IKAB Cc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)c2ccccc2F)cc1 19210334 IQQCVXHYDGHZGR-VDKIKQQVSA-N 434.580 5.326 0 40 IKAB Fc1ccc(-c2cnc3c(c2)[C@H](NC2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 19336717 SAAOQJTYEQZVRN-JOCHJYFZSA-N 444.539 5.085 0 40 IKAB O=C(c1ccccc1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19368729 CLSKDOBHOBRXIE-JOCHJYFZSA-N 435.531 5.302 0 40 IKAB CCN(CC)c1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 19842753 WKJAXUPQDFYJGS-UHFFFAOYSA-N 443.660 5.616 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)CC1 20492005 LCUDLXYGQFKDHJ-UHFFFAOYSA-N 441.575 5.101 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(O)cc2)n2c(nc3ccccc32)N1 20797431 PHLGLYCVBPGKGN-JOCHJYFZSA-N 430.895 5.323 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)OCc4ccc(Cl)cc4)c3n2)cc1 21789040 AJHWGAJZZSXJJD-UHFFFAOYSA-N 445.828 5.734 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNC2CCCCCCC2)cc1 22076303 UUTMNEGPALQKDN-UHFFFAOYSA-N 436.821 6.884 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nncn3Cc3ccco3)c3ccccc3)c[nH]c12 22193701 PRCAENZLSVITBF-XMMPIXPASA-N 442.544 5.679 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2sc(Nc3ccc(F)cc3)nc2C)cc1 22246068 RBJVRKFYRNPCNK-UHFFFAOYSA-N 427.501 5.543 0 40 IKAB COc1ccc(C(=O)C2CCN(C(=O)/C(=C/c3cccc(C)c3)c3cccs3)CC2)cc1 26131957 UHXAABAEISSQCG-HKOYGPOVSA-N 445.584 5.727 0 40 IKAB O=C(COc1ccc(Br)cc1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 27746870 LNCQEYGNIXXQHF-OAQYLSRUSA-N 449.348 5.258 0 40 IKAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@@H](C)c1nc(C(C)C)no1 27777789 AVVKTRKPGBAZHI-LBPRGKRZSA-N 446.627 5.560 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2-c2ccccc2)c1 32686263 VJHQZIRVXGFHNB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 33714051 TVRJREHFLFHIEK-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 36321643 YVMWNDCPJMVOFO-UXHICEINSA-N 448.636 5.493 0 40 IKAB COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(NC(=O)c3ccc(F)cc3)cc12 38655081 RVEDXSZCGNOOBF-UHFFFAOYSA-N 444.462 5.153 0 40 IKAB O=C(Nc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@@H]23)cc1)c1ccc(Cl)cc1 43965034 ASTJQGWCDYKJKV-UGKGYDQZSA-N 426.944 5.014 0 40 IKAB COc1ccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@H](C)C2CC2)cc1 58145953 CGUOLAQOUCIHRP-QGZVFWFLSA-N 446.595 5.826 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(=O)OC)cc2)cc1 59498071 UPIDWBHNMKFSLK-VWLOTQADSA-N 444.531 5.813 0 40 IKAB Cc1cccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)c1 90421065 WYHLBWZQJDEXQL-UHFFFAOYSA-N 448.522 6.039 0 40 IKAB COc1cccc(SCC(=O)Nc2c(Br)cc(F)cc2Br)c1 95948012 VKISOWIHCSZUQU-UHFFFAOYSA-N 449.139 5.090 0 40 IKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3C(C)C)n2C(=O)N(C)C)cc1Cl 96037380 JJTSEKGLXYJVQL-UHFFFAOYSA-N 436.943 5.921 0 40 IKAB COc1ccc(/C=C2/CCCc3c2nc2ccccc2c3C(=O)OCc2ccccc2)cc1 96398712 UBADEIZVROSUEQ-PYCFMQQDSA-N 435.523 6.477 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106738200 NQCSUPJAEBPSRY-GXHLCREISA-N 431.897 5.092 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 223237381 UBMBZYUBLBWXGU-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc2ccccc12 224301812 ABLSVOMQNRIXCZ-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925657 NASTYVIXDWYYTO-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)c(Cl)c1 224998221 UFHVEGSWKGVVGI-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225076834 UFSXNPMYOZNSSH-UXHICEINSA-N 445.003 5.139 0 40 IKAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccccc1Br 225335923 SSITZNHAHKNNCG-UHFFFAOYSA-N 436.334 5.887 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408548489 SQMGRFSTBBREHT-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CCCOc1ccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408556765 KJGLOPVFTVASEC-SFHVURJKSA-N 426.763 5.670 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1OC 408557508 OGLJAZLJOTVZIF-UHFFFAOYSA-N 434.536 5.286 0 40 IKAB Fc1ccc(N2CCN(C(=S)c3cccc(OCc4ccc(Cl)cc4)c3)CC2)cc1 408571266 AUSSZAVDVIEORK-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c1C 408673742 UQCQVJCBYURSOG-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408695604 ROZIBUOFHNSHKO-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2)N1CCc2ccccc2C1 409175000 XPDMLDQNBLGULJ-IQYBJFGMSA-N 434.583 6.182 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409179005 MLDDSIWKFFJSKC-HNNVXOBOSA-N 442.990 7.197 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(Br)c1 409197640 LDSLLOITTRNDOK-BZZOAKBMSA-N 449.373 5.924 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 409311751 HMIJNDRJWBFHLM-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc(Cc2cnc(NC(=O)c3cccc(-c4ccc(OC)cc4)c3C)s2)cc1 643586925 KWSYQPAIAAIOHL-UHFFFAOYSA-N 444.556 5.979 0 40 IKAB CC(C)Cc1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 659387 AWMBNYZUBOMLSP-UHFFFAOYSA-N 438.527 5.759 0 40 IKAB CCc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 884023 BNAOLJOYKDZGIQ-PMACEKPBSA-N 444.457 5.367 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 884955 PWSKVIDTLJWJJU-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB O=C(Cn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O)Nc1ccc(Cl)cc1 951890 YZZQIZMHSVBRLB-UHFFFAOYSA-N 430.316 5.071 0 40 IKAB Cc1cc(Oc2coc3cc(OCC(=O)N4CCCCC4)ccc3c2=O)cc(C)c1Cl 956128 NPAUCKQMCJGOEX-UHFFFAOYSA-N 441.911 5.247 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccc(Cl)cc1Cl)N1CCC1=O 1020797 ZWONSMVNQAIXMK-QHCPKHFHSA-N 439.342 5.173 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 1026554 UHDQQGMPXYVEBZ-UHFFFAOYSA-N 428.241 5.170 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccccc3)cc2c1 1327381 DQRJDVVTCMOVTM-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB COc1ccc(C)cc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 1380077 BKJCFBLNUOKQRJ-QFIPXVFZSA-N 438.549 5.105 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccc(Cl)cc1C 1944333 TTWISJANGKLYOD-UHFFFAOYSA-N 447.915 5.710 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(C)(C)C)cc1)Nc1ccccc1-2 2086904 ZDFAWNPLKWHEFM-QHCPKHFHSA-N 448.636 7.012 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc2cc1O 2181936 NCQXBPRUJUYUEL-UHFFFAOYSA-N 444.325 5.636 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1Cl 2196669 HJJSXTVEKIQVBX-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB Brc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2247213 WPRFFTOKSOXJLU-UHFFFAOYSA-N 445.364 5.979 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3F)sc2c1 2329816 SNZDLNDACRSTEI-OAQYLSRUSA-N 442.471 5.600 0 40 IKAB Cc1ccc(C)c(CSc2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 2376066 GBMUAGYGAQBWKC-FQEVSTJZSA-N 439.581 5.787 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2400531 YCTGDZIKAMXECL-FQEVSTJZSA-N 432.501 5.097 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1 2412346 HXJXPOSKQUDBND-MRXNPFEDSA-N 444.299 5.010 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccc(Cl)cc1 2443118 KQEHJCJTBHVLNU-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB CCn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2444468 ZBZQZUHVDUBLJR-UHFFFAOYSA-N 437.326 6.248 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccc(Cl)c4)ncnc32)cc1 2714006 YWWCOECXXOHDHG-UHFFFAOYSA-N 428.898 6.492 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccccc2)cc1 2925276 NMHHQXUYCZTQKK-UHFFFAOYSA-N 434.630 6.291 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1F 3257124 OAVAJAMRTGTKTR-UHFFFAOYSA-N 447.388 5.087 0 40 IKAB Cc1ccc(CC(Cc2ccc(C)cc2)(C(=O)Nc2ccccc2)C(=O)c2ccccc2)cc1 3300775 CFBVKUOCBDXDKH-UHFFFAOYSA-N 447.578 6.597 0 40 IKAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 3303479 UENDXRXIQROROF-UHFFFAOYSA-N 436.514 5.023 0 40 IKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Br)cc1 3329518 WXDGNKXTEZASJN-QFIPXVFZSA-N 434.289 5.711 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C 3340895 DZBKIJXQSWLQAE-KRWDZBQOSA-N 449.601 5.208 0 40 IKAB COc1ccccc1[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 4696659 YMIRQPILRMRKAJ-JGCGQSQUSA-N 440.586 7.862 0 40 IKAB CCCCCSc1nc2ccccc2n1CC(=O)c1[nH]c(C)c(C(=O)OCC)c1C 6566972 LXGXPFFKRXUOON-UHFFFAOYSA-N 427.570 5.323 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1cc(-c2ccccc2)on1 8673961 CHKWBZANYHKOBU-UHFFFAOYSA-N 426.403 5.710 0 40 IKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8753390 OACPRMARQSGCOT-GOSISDBHSA-N 447.941 6.014 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c(C)c1 8756138 FLSOFSAWRSKDRT-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB CC(C)(C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 8756373 WSPINTRVQVOXEM-UHFFFAOYSA-N 447.623 5.652 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 8838297 RZKSATDHOQETOI-FYYLOGMGSA-N 427.306 6.683 0 40 IKAB Cc1ccc(Cn2c([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 8871503 XZJFYECBSODGBU-LJQANCHMSA-N 449.476 5.932 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 8923694 HOCPKNVNCJGALB-QFIPXVFZSA-N 446.355 5.371 0 40 IKAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308854 JHYBCWOKHOXHLG-UNMCSNQZSA-N 448.364 6.344 0 40 IKAB CC(C)c1ccc(-c2nnc(NC(=O)C3CCN(C(=O)Nc4ccccc4)CC3)s2)cc1 9387001 DVDJUIKKGURYNQ-UHFFFAOYSA-N 449.580 5.211 0 40 IKAB Cc1ccc(C)c2sc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc12 9543878 XYLFMNXCKHZALH-UHFFFAOYSA-N 441.600 5.394 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1 9599157 NIODMAGNMXBGNR-UHFFFAOYSA-N 429.948 5.713 0 40 IKAB COc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@H]2c2ccccc2)cc1 9673675 UDUMWQJEASFOFL-JOCHJYFZSA-N 434.948 5.631 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1Cl 9683952 NYGAEKPSHZKGPI-CYBMUJFWSA-N 448.951 5.955 0 40 IKAB COc1cccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(OC)cc23)c1 9847322 PWXKLIQUDUGKDH-UHFFFAOYSA-N 434.517 5.137 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3ccc(C)cc3C)cs2)cc1 9861963 KCNFMLVQCYQUPD-UHFFFAOYSA-N 449.605 5.123 0 40 IKAB Cc1cc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n2c2c(C)cccc12 11903173 OVPPQZXFFRDMAW-UHFFFAOYSA-N 430.455 5.249 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cc(OC)c(O)c(OC)c3)on2)cc1 12154156 ZXXDPVQWMQOYCL-OAQYLSRUSA-N 438.524 5.190 0 40 IKAB CN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)oc2ccccc23)c2ccccc21 12416885 GCPZTOAYQRIONH-MUUNZHRXSA-N 445.478 5.488 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)cc1 12628667 OPDIMNHUFVHVJB-UHFFFAOYSA-N 442.629 5.077 0 40 IKAB CC(C)c1ccc(N(C(=O)c2csnn2)[C@@H](C(=O)NC(C)(C)C)c2cccs2)cc1 12637433 UMNILWRBOYBHOP-LJQANCHMSA-N 442.610 5.026 0 40 IKAB CCN(C(=O)c1ccc(C)c(S(=O)(=O)N(CC)c2ccccc2)c1)c1ccc(F)cc1 12739264 REEOJIVHWJFKMP-UHFFFAOYSA-N 440.540 5.016 0 40 IKAB O=C(O)[C@H]1c2ccccc2C(=O)N(Cc2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 13148194 VJFBGEONOSRWLF-SFTDATJTSA-N 443.396 5.410 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCc3ccccc3C2)cc1Cl 13609662 WVKPZCLOTAUBBA-UHFFFAOYSA-N 444.918 5.036 0 40 IKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@H]2c2cn(C)c3ccccc23)cc1OC 13945661 XPURUEBBZVCKKD-SANMLTNESA-N 430.548 5.192 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1nc(-c2cc(F)ccc2F)cs1 14048948 ICBGJRXGKNHQCN-UHFFFAOYSA-N 447.413 5.593 0 40 IKAB Cc1sc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)n(C(C)C)c(=O)c2c1C 14183582 RINJNFGSCBLYRJ-GFCCVEGCSA-N 432.596 5.621 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2)c1 14273004 PMFXFDQCXZFLEX-UHFFFAOYSA-N 442.559 6.313 0 40 IKAB COc1cccc([C@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 15106742 FFUSEZXTRUETLF-QGZVFWFLSA-N 426.925 5.445 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1C 16035417 GJUXSUQHULWRFG-UHFFFAOYSA-N 443.330 6.149 0 40 IKAB O=C(OCc1nnc(-c2ccc(Br)s2)o1)c1occc1-c1ccccc1 16538049 UATNBUVDMFONRQ-UHFFFAOYSA-N 431.267 5.178 0 40 IKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 16751007 JTDXGCUSUDERQT-RDPSFJRHSA-N 447.531 5.086 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc(Cl)ccc2Cl)cc1 17096307 JBFLTUGICJFMTJ-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(Cl)cc2)Nc2ccccc2S3)c1 17098244 MQAXJEWOMVBLAE-OAQYLSRUSA-N 432.932 5.735 0 40 IKAB COc1cccc(CC(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)c1 19690656 FQGXCIPBUPZILP-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccccc2)cc1 20382398 ACQISXKBKDKDSB-UHFFFAOYSA-N 438.936 5.342 0 40 IKAB O=C(NC[C@H](SCc1ccccc1)c1ccccc1)c1ccccc1Br 20522881 OOKABLMPSIWFRC-NRFANRHFSA-N 426.379 5.854 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Br)s1 20605431 OVCWCHLQSAWCOJ-UHFFFAOYSA-N 441.375 6.553 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610394 XLGJVLCHRMJTKU-SDNWHVSQSA-N 442.425 5.611 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 22530669 SFLHMNYPLLSUAO-UHFFFAOYSA-N 445.559 5.804 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(Nc2ccccc2F)sc1=S 23486776 SEGNPWKNFGBSQZ-UHFFFAOYSA-N 428.480 5.665 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1cc2ccccc2o1 23957302 VKPPUDSFMDJSMN-CYBMUJFWSA-N 442.541 5.005 0 40 IKAB COc1ccc2nc(N(Cc3ccccc3)C(=O)Cc3noc4ccccc34)sc2c1 28246944 GUNBORHBNXISQN-UHFFFAOYSA-N 429.501 5.222 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32127161 JJYBERYSMWIZAN-UHFFFAOYSA-N 436.511 7.079 0 40 IKAB Cc1ccc(C)c(CSc2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)c1 32985516 UJBBZSZYELSLBE-UHFFFAOYSA-N 444.535 5.141 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccc(Cl)cc1 33000660 TXNYEHQGTCBGKX-UHFFFAOYSA-N 443.937 5.526 0 40 IKAB O=C(COC(=O)c1cc(-c2cccnc2)nc2ccccc12)c1ccccc1Br 33418204 WJSFRVGOPPKVEI-UHFFFAOYSA-N 447.288 5.099 0 40 IKAB S=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(Cc2ccccc2)CC1 33558118 RHOGZAPXQJGWTI-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccccc2)cc1 33779455 HGGWVFGUGBTMMR-UHFFFAOYSA-N 435.980 5.734 0 40 IKAB COc1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccc(C)cc1 35314018 VUPRIDWPFCSEPZ-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB O=C(O)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1 36380460 OPLRXLDCKVFOJF-UNOMPAQXSA-N 438.892 5.065 0 40 IKAB CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc23)cc1 49005000 SSSRTWZIJCRXJF-HXUWFJFHSA-N 446.551 5.263 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 49632642 GOFFXPATGGEBDZ-FQEVSTJZSA-N 439.512 5.098 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1Cl 57313996 WKPKDLYJZKPFHR-UHFFFAOYSA-N 447.554 5.661 0 40 IKAB CC(C)COc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317014 LMBNPZJWLZWVDR-UHFFFAOYSA-N 428.326 5.674 0 40 IKAB CC(C)(C)[C@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 57774941 VLODOZCTGHCFQP-INIZCTEOSA-N 426.486 6.452 0 40 IKAB CCOc1ccc(/C=C/c2noc(/C=C/c3ccc(OCC)c(OC)c3)c2CC)cc1OC 71404304 SYJWUMHZKWHKOD-UTLPMFLDSA-N 449.547 6.392 0 40 IKAB biogenic,in-vitro CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccc(C)c(C)c4)no3)c(C)c2c1 71761914 KJDXELSSBVXQEO-UHFFFAOYSA-N 439.537 5.106 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CCCC1 72215630 AAANSGFYQWKNTM-JOCHJYFZSA-N 435.568 5.743 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 72229882 IKWCYLWJPFAMEI-SANMLTNESA-N 427.931 6.192 0 40 IKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230086 KBAOWCPUHIXXOU-MHZLTWQESA-N 443.930 6.106 0 40 IKAB O=C(Nc1nnc(-c2ccsc2)s1)c1ccc(Sc2ccccc2Cl)nn1 78875949 WSUYCLLFEHUYKW-UHFFFAOYSA-N 431.955 5.114 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1cccc(C)c1 79112422 UQCQEEUXIBLNKA-VWLOTQADSA-N 449.554 5.900 0 40 IKAB O=C(CCNc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(Br)cc1 96136871 JZXKPTWHBRQODD-UHFFFAOYSA-N 437.362 6.411 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 100429371 YQRBNQVNMVZFGP-XHCCPWGMSA-N 426.516 6.333 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H]3c4cc(Br)ccc4O[C@]2(C)[C@@H]3C)cc1 100889566 CDYJOPUBMFPEPU-CCMJGWDWSA-N 433.371 5.028 0 40 IKAB Cc1cccc(N2C(=O)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C(=O)Nc2ccc(C)cc2C)c1 101353312 ISNRVOFMZWONEZ-DPZBCOQUSA-N 441.531 5.246 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 222541729 BQANOMWPIOQKSJ-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(Cl)cccc1Cl 222682459 NXYLSWUBIULDPT-LLVKDONJSA-N 448.177 5.006 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223449756 ZOVRTKAUUJMLGU-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1OC)c1ccccc1 223483394 OPXRBFPNSCUMSR-AREMUKBSSA-N 448.538 5.021 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223532071 ZQJCAXNDRHQLDS-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 223691190 KZXJQBUCAPNBLN-XMMPIXPASA-N 440.653 5.342 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)cc1 224027022 KYYUMRFYNULTCR-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224103584 ZZZWDTAWDWIZPB-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 224115367 CBJBAAUWNJWEIE-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)c(OC)cc1Cl 224357336 OKZSMXHIFHBUAO-UHFFFAOYSA-N 441.911 5.335 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(Cl)c(C)c1 224547878 PKYOTCXTQUJNAY-UHFFFAOYSA-N 439.939 5.565 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccccc1C(C)C 224567301 MEYFSCQBMWSACP-UHFFFAOYSA-N 449.547 6.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cc(C)cc(C)c1C 224614987 MTSQLOQPAQAPQV-UHFFFAOYSA-N 435.589 6.564 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225167469 BDOKRGSYZFRRAE-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c(OC)c1 225344480 QSJKNLMPNNYVTG-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225367875 LSLHEQQQOFZYAM-UHFFFAOYSA-N 433.891 5.375 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225482679 YZBADDWLJBGLNT-REWPJTCUSA-N 426.626 5.032 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225632894 LILPVNTYKCEFLD-WZONZLPQSA-N 445.003 5.003 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(CSc2ccccc2)cc1 225678211 UXMVGQSCVSDNNU-HSZRJFAPSA-N 448.657 6.876 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 225813211 YRQBNHVOQBRYQT-UHFFFAOYSA-N 443.347 5.654 0 40 IKAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)o1 226341960 JDXZXIBLMOPPCE-UHFFFAOYSA-N 449.519 5.621 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@]32C)C1 256947256 NSCDXTUACLUGIN-ZJXIMYFWSA-N 442.728 8.350 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)on2)c1 257292941 QNNUCHPQOMGIND-JOCHJYFZSA-N 447.466 5.045 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccc(F)cc3)n2)CC1 257300897 RWDAGINISOMPFQ-UHFFFAOYSA-N 427.523 5.242 0 40 IKAB O=C1CS[C@@H](c2ccccc2OCc2cccc(Cl)c2)N1c1ccc(Cl)cc1 408557746 OQFIFRMUMBCTHH-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB O=C(O)/C(=C/c1ccc(Cl)cc1Cl)Sc1nnc(-c2ccc(Cl)cc2)o1 408634629 SQBRHVNBIDTEBI-AUWJEWJLSA-N 427.696 5.915 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cc(C)ccc2C)cc1 408696768 FCAZKTRWXOBKEA-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408727780 XOTCSAFVHSUVGX-UHFFFAOYSA-N 430.511 6.162 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409113116 HZVFMXLGFCGNDI-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409115769 HCRBUFRYRAEUMS-YCWQJBQDSA-N 444.578 7.389 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 409174436 TZZPVGPCTJHSAA-OVCLIPMQSA-N 426.925 5.101 0 40 IKAB O=C(CCC(=O)OCC(=O)c1ccccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 409176179 JOUZJOCBNUCKLY-UHFFFAOYSA-N 448.224 5.157 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409178427 HVIDLBPPJFQVGT-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3cccc(OC)c3o2)n1CC 409344151 FUAPLEIBPUJKFY-UHFFFAOYSA-N 436.537 5.013 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3C)cc2)cc1 409361958 RFGIHUNVIBHEJZ-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CC(C)c1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266056 CCBIPGBPWSWFHS-DEOSSOPVSA-N 449.982 6.078 0 40 IKAB O=C(/C=C/c1cccnc1)N1CCC[C@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 585293518 YMHLJMZZEBVEKL-XTXLJPNXSA-N 441.560 5.249 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)c1 661336 APHYVMDBSJETMH-UHFFFAOYSA-N 439.334 5.548 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2Cc2ccccc2)cc1 917005 YSIPIKCBZATBIU-UHFFFAOYSA-N 446.551 5.361 0 40 IKAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccc2c(c1)OCO2 1339867 PCYYCIBYVOHFPS-UHFFFAOYSA-N 428.513 5.285 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 1352843 MUYRMLXUPJJALQ-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB O=S(=O)(NCc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1397509 SYOZNUUSZUBVHI-UHFFFAOYSA-N 442.846 5.025 0 40 IKAB COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)cc1Br 1413953 PZCGOVPNUIZSOW-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB CCCCCCc1cc(-c2onc(C)c2-c2ccc(Br)cc2)c(O)cc1OC 2102645 GFDBKEWAFPTTIS-UHFFFAOYSA-N 444.369 6.917 0 40 IKAB biogenic COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2)c1 2203974 DVTLQJOTJPDECN-UHFFFAOYSA-N 429.453 5.298 0 40 IKAB biogenic Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c(O)c1C 2264897 ODFXTFLPDRHAHD-SANMLTNESA-N 427.588 6.159 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2304831 JHRQTSOSHHFGAS-IBGZPJMESA-N 442.650 6.217 0 40 IKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccc(SC(F)F)cc1 2630041 YJKWKEYDEFGZLT-UHFFFAOYSA-N 427.472 5.393 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2s1)N(Cc1ccccc1)Cc1ccccc1 3229894 IJKZUZHIKDEEAB-UHFFFAOYSA-N 439.005 6.271 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1c(Cl)cccc1Cl 3237033 CQJSPYAHSUZWKU-UHFFFAOYSA-N 428.315 5.697 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2Nc2nc(C)nc3sc4c(c23)CCCC4)cc1 3353999 GSAOSQZXMSUDGQ-UHFFFAOYSA-N 428.561 6.183 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1cc2ccccc2o1 3770841 QFNOVKYSWCMBLS-UHFFFAOYSA-N 445.525 5.542 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 7060065 JYHXHZALXFOZMW-GMAHTHKFSA-N 435.321 5.700 0 40 IKAB COc1cc2nc(NC[C@H](C)c3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC 8604973 LPOINARSRQKTQR-KRWDZBQOSA-N 439.519 5.177 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Br)c(N)c(Br)c2)cc1 8702095 NSYHCRATOTZHHZ-UHFFFAOYSA-N 426.152 5.344 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 8725974 OGMPFPCJFSIQOP-SFHVURJKSA-N 445.592 5.016 0 40 IKAB CCc1ccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 8754704 CCQWPQBLIKHMPH-HSZRJFAPSA-N 439.559 5.194 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nc(C)c(C)n2CC(C)C)cs1 8965964 FKNXAMIIBHKYCD-UHFFFAOYSA-N 428.627 5.394 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(Cc1ccco1)C3=O 9215686 ZEKFAXYJDKNDDO-XMMPIXPASA-N 427.500 5.872 0 40 IKAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292782 IVLNMHNMAUUHHO-GGAORHGYSA-N 438.358 6.888 0 40 IKAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 9344851 DGWRVNFVNJLNNV-JOCHJYFZSA-N 431.875 5.200 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)c1 9411294 XSMGKBHFWGBIHL-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(C)c(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 9561421 IXOOUMSRQJYFOM-NRFANRHFSA-N 425.866 6.487 0 40 IKAB COc1ccc(OC)c(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 9632845 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QXRXKLRQEGNWJA-KGENOOAVSA-N 445.446 5.097 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 409321534 IDVYAHFSDCLDSA-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1cccc2cc(C(=O)N3CCC[C@@]4(CCCN4Cc4ccc(F)cc4)CC3)oc12 585100404 QKXYFNAMQGVOKO-AREMUKBSSA-N 436.527 5.241 0 40 IKAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCCc1ccncc1)C2 643567344 CVCKOJRATFEVEC-FTJBHMTQSA-N 448.655 5.128 0 40 IKAB COc1ccc(-c2cc(C(=O)/N=c3\cc(C)[nH]c4ccccc34)c3ccccc3n2)cc1OC 670737 PHQRTLDGYKTNTR-UHFFFAOYSA-N 449.510 5.450 0 40 IKAB Cc1cccc(OC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)c1C 819613 KSMDVICFYQKVBL-UHFFFAOYSA-N 440.282 5.630 0 40 IKAB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)Nc2ccccc2)cc1 925259 GZNIIZPZPGZLFX-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 933376 QXDKDOMKIATUPH-UHFFFAOYSA-N 429.545 5.587 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 1371564 UJYHWHNXLVLRSZ-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 1400058 AKYPUSKCWUXTPY-UHFFFAOYSA-N 442.771 5.099 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cc(Cl)cc(Cl)c1 1499785 LEGXJVBPVAITOK-UHFFFAOYSA-N 428.138 6.132 0 40 IKAB O=C(C[C@@H]1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1Cl 1622673 UXVYYFRGYBIXLW-AWEZNQCLSA-N 428.728 5.086 0 40 IKAB Oc1ccccc1C(Sc1nc2ccccc2s1)Sc1nc2ccccc2s1 1681613 FCSJSKBERJLLHH-UHFFFAOYSA-N 438.624 7.195 0 40 IKAB in-vitro CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)c(C)c1 1935451 YFWMMCXYNYWOBD-UHFFFAOYSA-N 443.952 5.880 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc(Cl)c1Cl 2056928 NGBHHWGBELDTNE-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3-c3ccccc3)c3ccccc3n2)cc1 2073175 YUSOPQPUKHKEIZ-UHFFFAOYSA-N 430.507 6.830 0 40 IKAB CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C 2138534 XQHGIEPSARXFNV-CLJLJLNGSA-N 433.523 6.510 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)ccc12 2152224 KJUSTRHDBMXCMG-UHFFFAOYSA-N 447.531 5.514 0 40 IKAB biogenic COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)c1 2209928 CDDAXAAJMMVWSM-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic Cc1cccc(C)c1NC(=O)C1(N(CC(C)C)C(=O)c2ccc3ccccc3n2)CCCC1 2275120 VJYLWJJYDCNWAX-UHFFFAOYSA-N 443.591 5.901 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)c1C 2616611 ZSOFBHYKULKXIN-UHFFFAOYSA-N 436.562 5.118 0 40 IKAB CC[C@@H](C)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2633553 RVGRJZUUCLIJAT-CQSZACIVSA-N 431.941 5.450 0 40 IKAB Cc1cc(OCn2ccc(C(=O)Nc3nc4ccc(Cl)cc4s3)n2)ccc1Cl 2794706 CQODPLIKYMHLJQ-UHFFFAOYSA-N 433.320 5.397 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3ccccc3Cl)c2C(=O)OC)cc1 2889681 GWAOGWPNDVMHSL-UHFFFAOYSA-N 429.925 5.896 0 40 IKAB O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Br)cc1 3068007 CHVYOAYQRNFOKD-HXUWFJFHSA-N 449.175 7.182 0 40 IKAB CC(C)(C)C(=O)N[C@@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3150452 STKJOJXWEOXECZ-SNVBAGLBSA-N 426.986 5.917 0 40 IKAB O=C(Oc1ccc(Sc2ccc(OC(=O)c3ccccc3)cc2)cc1)c1ccccc1 3158158 DIPBBCSWTSMLAY-UHFFFAOYSA-N 426.493 6.276 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 3477767 BOFGHVOFHNWQFH-AOMKIAJQSA-N 430.581 5.635 0 40 IKAB CCCCCC1CCC(c2nnc(SCC(=O)CC(=O)Nc3ccccc3)o2)CC1 4036583 WFVCFWYRUAODCC-UHFFFAOYSA-N 429.586 5.614 0 40 IKAB CCCC[C@@H](CC)COP(=O)(N(CCCC)CCCC)N(CCCC)CCCC 4691961 QKJHLSJLPBHROT-XMMPIXPASA-N 432.674 8.132 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(Cc2cccc3ccccc23)n1C 4700456 DMLFXRPYFJZYOL-UHFFFAOYSA-N 429.633 6.766 0 40 IKAB CCC(C)(C)SCC(=O)OC[C@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 4804320 OGDFLFXEEQMLTP-AYFYORAVSA-N 432.714 7.587 0 40 IKAB O=c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)coc2ccc(Br)cc12 8411080 FQQLTAANKIQOPC-UHFFFAOYSA-N 443.300 6.280 0 40 IKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2C)o1 8589819 GJMQVJNCGFWQGR-UHFFFAOYSA-N 443.890 6.672 0 40 IKAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 8721726 SKIOCWAJIPXETG-GOSISDBHSA-N 434.348 5.157 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 8812506 JHXFSRORMBSOPH-UHFFFAOYSA-N 436.364 6.072 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cc(C)c(C)cc3C)c3cc(Cl)ccc32)cc1 8922735 ZSPZTRMVHYXWQZ-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3Cl)oc12 8960413 XYBBPECBORCRGL-UHFFFAOYSA-N 440.282 6.232 0 40 IKAB Clc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 9056326 URRAMCJNSCPXIF-UHFFFAOYSA-N 429.958 5.261 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(O)c1 9402826 YCDKYOIQRBLEFN-UHFFFAOYSA-N 430.913 5.001 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9581840 BRCDLBOHWWDYGL-AFMDSPMNSA-N 431.580 5.354 0 40 IKAB COc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 9607330 IJZUMYDHBQFUGI-FQEVSTJZSA-N 434.883 5.310 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040283 CUOIIGDKVSNJLI-CQSZACIVSA-N 448.906 6.643 0 40 IKAB O=C(CCc1ccccc1)Nc1c(C(=O)c2ccc3c(c2)OCCO3)oc2ccccc12 10233240 UOTCPBYZOWGNKR-UHFFFAOYSA-N 427.456 5.006 0 40 IKAB Cc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O 10313882 VGUSNGLJRNQKTN-QGZVFWFLSA-N 442.968 5.109 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3c(F)cccc3Cl)o2)CC1 11903942 HEAXKTDNRQIPKQ-UHFFFAOYSA-N 427.929 5.269 0 40 IKAB COc1ccc(-c2[nH]c3ncccc3c2CN2CCC(O)(c3cccc(C)c3)CC2)cc1 12144242 HXNFBCISTYTCLF-UHFFFAOYSA-N 427.548 5.031 0 40 IKAB COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12193983 RSQJJSXNXBRMGB-VWNXMTODSA-N 439.342 6.553 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc12 12754303 VFDWNTSSONLAFX-UHFFFAOYSA-N 449.967 5.256 0 40 IKAB Cc1sc(/C(=C/c2ccccc2C(F)(F)F)c2nc(O)cs2)nc1-c1ccccc1 12953705 URGPTKZDJDLZON-LFIBNONCSA-N 444.503 6.888 0 40 IKAB COc1ccc(CN(C)C(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1F 13039347 YGCKQPAONHUMRU-UHFFFAOYSA-N 448.494 5.444 0 40 IKAB CCc1cccc2c(C(=O)Cn3c(SCc4ccccc4)nc4ccccc43)c[nH]c12 13075159 XZEGUNBENVHQKQ-UHFFFAOYSA-N 425.557 6.255 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SC/C=C/Cl)cc1Cl 13163649 BUEVZTAAOGDGHZ-OEIRUCHTSA-N 425.362 5.640 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13810126 JKTNYDSHFOEPRS-VPUSJEBWSA-N 428.532 6.116 0 40 IKAB COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2Cc2ccc(Cl)cc2)cc1 15981494 YJCVYKSVUZFAKI-RWEWTDSWSA-N 441.383 6.813 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3ccccc3Cl)CC2)c1 16480881 CMEMWFJKHGXIQC-RUZDIDTESA-N 447.966 5.045 0 40 IKAB Fc1ccccc1Nc1nc(Oc2ccccc2Cl)nc(N2CCc3ccccc3C2)n1 16524825 KRSJVERLLNMVGV-UHFFFAOYSA-N 447.901 5.763 0 40 IKAB CC(C)c1ncc(-c2nnnn2-c2ccc(Cl)cc2)c(-c2ccc(C(F)(F)F)cc2)n1 16576010 YJILBTQXQMMSGP-UHFFFAOYSA-N 444.848 5.582 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 16610894 MOMYWCZATVTTRB-MOPGFXCFSA-N 442.559 7.438 0 40 IKAB Cc1cc(C)c2nc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2c1 17094886 UTCPPPVBIOCMHW-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB CCc1cc(C(F)(F)F)c2c([C@H]3CCCN(Cc4ccc(OC)c(OC)c4)C3)noc2n1 19522016 MIIHEJJERLABRU-HNNXBMFYSA-N 449.473 5.201 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1 19690581 POGJQUVGMVILFY-XMMPIXPASA-N 428.511 5.369 0 40 IKAB CCc1ncc(CN(CC)[C@H]2CCO[C@@H](c3ccc(-c4ccc(OC)cc4)cc3)C2)cn1 19711989 SCANZEUAOYHMBA-AZGAKELHSA-N 431.580 5.457 0 40 IKAB c1ccc(-c2nc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cs2)cc1 22036033 HOELJDWZNGCDKL-UHFFFAOYSA-N 425.601 5.717 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O 22079420 JMRUOQNKTSMRIO-UHFFFAOYSA-N 443.572 5.228 0 40 IKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 24455723 BIUMZULEJIRUPB-ZDUSSCGKSA-N 437.754 6.454 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 25048336 GJJMEUBJSKOGJO-UHFFFAOYSA-N 448.910 5.087 0 40 IKAB O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1ccc(N2CCCCC2)cc1 25058618 KJDATBGZQMUVDL-UHFFFAOYSA-N 446.526 5.119 0 40 IKAB O=C(Sc1ccc(Cl)cc1)c1nc(SCc2ccccc2Cl)ncc1Cl 27995512 OTNNGNAKNOHOSJ-UHFFFAOYSA-N 441.792 6.662 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1SCc1cn2ccccc2n1 28506499 BFWULOASSPUVIH-UHFFFAOYSA-N 442.544 5.227 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)Cc1nc(-c2ccc(F)cc2)no1 28730195 LDLAOQXRJXNNRM-UHFFFAOYSA-N 439.922 5.023 0 40 IKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@@H](c2nnc3ccccn23)C1 32904366 WDYBHFLFDJIFPD-MRXNPFEDSA-N 440.425 5.028 0 40 IKAB C[C@H]1[C@@H](c2ccccc2)N(C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 35930592 BPODYCZWRPAIBO-HYPLZALKSA-N 437.627 7.295 0 40 IKAB CCOCCn1/c(=N/C(=O)c2ccc(Cc3ccccc3)cc2)sc2cc(F)ccc21 39716450 FXFOMNFXMRXEOR-RFBIWTDZSA-N 434.536 5.210 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2nc(-c3ccc4c(c3)OCCCO4)cs2)[C@@H]1C=C(Cl)Cl 41004283 AFFZQAHLBRYCLT-YVEFUNNKSA-N 439.364 5.501 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@H](C)c1ccccc1 41076812 DLIJMTLEBAAPBX-OAHLLOKOSA-N 432.545 5.679 0 40 IKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccc(Cl)cc1 44086689 UVWLJILUMSOLMG-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB O=C1CCCN1c1ccccc1NCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 57517371 YQBCRAXBHDLDGN-QHCPKHFHSA-N 443.572 5.106 0 40 IKAB Cc1ccc([C@@H](c2nnnn2Cc2ccccc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 57613828 YZGNFPYAFSQLJZ-SANMLTNESA-N 439.538 5.048 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)Nc1ccccc1F 58960120 VFKFQINEQRXKCS-UHFFFAOYSA-N 441.837 5.686 0 40 IKAB CCC[C@@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 60367802 PZLRSWHQYZYOJJ-MRXNPFEDSA-N 448.894 5.002 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 64950154 CPHHDAHCBGBTMU-UHFFFAOYSA-N 446.919 5.478 0 40 IKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccccc3C(F)(F)F)oc12 67299072 BLEOFXKJKFXSIS-SLMZUGIISA-N 442.393 5.216 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 69982749 PEWRCCLHVQVEFF-FUHWJXTLSA-N 426.504 5.080 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377269 KYVRYBOELRWTRC-NRFANRHFSA-N 438.934 5.205 0 40 IKAB O=C(Nc1c(Br)cccc1Br)c1csc(-c2cccs2)n1 95444475 ZBHLVOGZGMYAPQ-UHFFFAOYSA-N 444.173 5.649 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cn(Cc3cccnc3)c(C)n2)n2ccccc12 96088208 VXAPTWOGXUMBHX-UHFFFAOYSA-N 449.558 5.217 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 96400843 SEHDOBWHDBZZQU-OAXRCCLXSA-N 429.470 5.797 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 101104923 SLBBMVAFOFXSKA-KBJUPQRZSA-N 447.534 5.509 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)cc1Cl 107965700 GKDKJDUDKVHOSJ-UHFFFAOYSA-N 438.420 6.379 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1Cl 214083651 QEJPQAGQSWMHNQ-YBFXNURJSA-N 430.312 6.490 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215113293 JULJVXAGSOIGDI-CIAFOILYSA-N 441.911 6.268 0 40 IKAB CC(C)n1c(Cl)nc2cc(C(=O)NCCC(=O)Nc3cccc4ccccc34)ccc21 222552572 WZSDULUHMLJYJV-UHFFFAOYSA-N 434.927 5.182 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222674884 IEKLQYYYIYUGSL-INIZCTEOSA-N 435.395 5.213 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222752713 FIYXKYKQLKDYTO-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 222893348 SYBWDRGYLHIBCJ-RJDQKLELSA-N 446.616 6.002 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223181103 QGOAPKRFMLHCFE-IBGZPJMESA-N 447.044 5.297 0 40 IKAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)s1 223256536 GKRCAFSRKNTXEL-UHFFFAOYSA-N 445.441 5.196 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(C)cc(C)c2)cc1 223552604 TVPUGAXZDVYTEA-UHFFFAOYSA-N 444.641 5.138 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223926093 KDBSXSMQZCLVCV-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl 223959196 UUWKWNAFZLTSEP-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1C 224283326 YZDDYQRWPNWVET-UHFFFAOYSA-N 432.520 5.410 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224388866 RZFUDYCFZDGJGM-SJORKVTESA-N 434.359 5.222 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224580228 ADHTZQUXPOSZEV-BJKOFHAPSA-N 427.529 5.527 0 40 IKAB COc1ccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225314617 PJYINHXHFYIVPP-UHFFFAOYSA-N 432.589 5.710 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 225660240 JPTSTDWZNMKKIJ-AUSIDOKSSA-N 444.616 5.171 0 40 IKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2cccc(F)c2)[C@@H]1O 257315187 VAHQFSYWXFLODZ-QIGHUWCUSA-N 439.502 5.550 0 40 IKAB CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br 260756089 DDZAAXPGHQTUCB-UPRAQXHNSA-N 432.387 5.221 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCCC2)cc1 260812490 DCVSNWRUHOQRMO-QHCPKHFHSA-N 434.624 5.946 0 40 IKAB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c2c1 408632318 DGAILYWWAGZQNQ-HMAPJEAMSA-N 441.512 5.938 0 40 IKAB Cc1ccc(C)c(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646294 ASZMIZUKZGGJGJ-URFUVCHWSA-N 448.349 5.401 0 40 IKAB O=C(c1cnc(-c2ccccc2)c(-c2ccccc2)n1)N(C1CCCCC1)C1CCCCC1 408721648 KJJAENFEKLHUNU-UHFFFAOYSA-N 439.603 6.918 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1Cl 408976067 PAZDLAXFUISADJ-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB Cc1cccc(Cn2cc(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c3ccccc32)c1 409002112 SNCUGCKGJKMBCT-WGARJPEWSA-N 449.579 5.385 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 409113319 HLRDVGKXTCPJDR-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCc1sc2nc(SCCCc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409116074 LMOWLDZQXSBRBF-UHFFFAOYSA-N 434.630 6.351 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409170422 VPXYQAIEZVXYAA-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB O=C1N/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)N1Cc1ccccc1 409206233 IPDNQNVLRZUBTO-UQQQWYQISA-N 434.495 5.512 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409251090 OHBRXTIZDKAVJI-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 409375933 RBJDHMKPIXNANA-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CC(=O)c1ccccc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1 616582644 RDGCUQBSNWLAHV-UHFFFAOYSA-N 428.535 6.593 0 40 IKAB CCC(CC)CN1CCCCCCCN(C(C)=O)c2ccc(Nc3ccccn3)cc2C1 2037931538 CENBNUVATATEFL-UHFFFAOYSA-N 436.644 6.380 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccnc4Cl)c3n2)cc1 848669 QVSMRLJRJMIOJK-UHFFFAOYSA-N 431.805 5.024 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 866944 FPNJXFNVJLHURZ-DGCLKSJQSA-N 446.763 5.320 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OCCc4ccccc4)ccc3c2=O)c1 1770022 CCKPEEPZMSYZII-UHFFFAOYSA-N 440.417 6.534 0 40 IKAB CCCCOc1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1 1820162 CDVWHZFQNDPIHA-UHFFFAOYSA-N 447.272 5.152 0 40 IKAB Clc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1 2258714 PVZKMWSEIATCJC-UHFFFAOYSA-N 428.948 6.428 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(Cl)cc2NC(=O)c2cc(Cl)ccc2O)c1 2306318 AKBIAPSZBVRENR-UHFFFAOYSA-N 430.331 7.175 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccncc2)cc1 2358984 ZOIBYULTJZFDFV-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1ccc2c(c1)c(C(=O)CSc1nc(C)nc3c1oc1ccccc13)c(C)n2C 2413243 YYNYLKNXYAXLMI-UHFFFAOYSA-N 431.517 5.468 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)cc1 2450576 MFFDPIBDPIYGHT-UHFFFAOYSA-N 433.375 5.102 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1Oc1ccccc1 2657665 YVJYJIOAHJSTSI-UHFFFAOYSA-N 448.573 5.673 0 40 IKAB Fc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)c1 2714853 IXPIUDKBSNPPJO-UHFFFAOYSA-N 448.423 6.989 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc(NCCc3ccccc3)c3ccccc3n2)cc1 2941530 CBZGIPUNJOKRJJ-UHFFFAOYSA-N 442.588 5.001 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc2ccccc2cc1O 3233253 FZUOMUPMWWFKCX-UHFFFAOYSA-N 427.481 5.532 0 40 IKAB C[C@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 3336021 VPSKQOFXKKXUHI-IBGZPJMESA-N 439.486 6.130 0 40 IKAB Cc1sc2nc(CSc3ncnc4scc(-c5ccccc5)c34)[nH]c(=O)c2c1C 3418019 YETPNGBXJBETST-UHFFFAOYSA-N 436.587 5.565 0 40 IKAB CC[C@H](Sc1nc2ccccc2s1)C(=O)N1c2ccccc2Sc2ccccc21 3667202 LXWHYJMZACTDMF-SFHVURJKSA-N 434.611 6.997 0 40 IKAB CCCCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 8398023 BGXXKNOIHYMSPR-HXUWFJFHSA-N 426.567 5.327 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8753286 KLWBNZVCVFNHHL-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 8755549 UIHMFCPTXSAILW-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB COc1ccc([C@@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 9129917 OAMHGTIONMLXDK-AREMUKBSSA-N 428.532 5.050 0 40 IKAB CC1CCN(c2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CC(C)(C)OC4)CC1 9145012 IYNCKWUXMOGFGF-UHFFFAOYSA-N 444.604 5.994 0 40 IKAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 9459693 YBVSATGNIQFNFA-SCLBCKFNSA-N 440.396 6.053 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)CC2=O)cc1 9581274 LIFJDJFZJDYHBL-INIZCTEOSA-N 425.941 5.072 0 40 IKAB O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9586227 SJFIDPDQNXMIRN-CYBMUJFWSA-N 443.981 5.589 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 9968687 MHFMEZSEZWXPLW-UHFFFAOYSA-N 434.499 5.657 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1c(Cl)cnn1C 12133784 QFHPFPDRUFKHKH-QGZVFWFLSA-N 433.339 5.448 0 40 IKAB C[C@@H](CCN1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1)c1ccccc1 12158790 QZFPYPGNRAFDRN-SFHVURJKSA-N 431.502 5.027 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 12196064 RWYHXFGKNALADQ-JTHBVZDNSA-N 436.870 5.508 0 40 IKAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=S)Nc3ccccc3)ccc21 12323805 MODKOSMICVMSBQ-UHFFFAOYSA-N 448.621 5.564 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4cc(C)ccc4o3)c2)c(F)c1F 12651132 CKUYRQJYALBPJB-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)C1 12753262 LPMFHYFBJPQQBP-HNNXBMFYSA-N 433.668 5.496 0 40 IKAB C[C@@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccc(C(C)(C)C)cc1 13040963 WQDKGTKKBBSGFI-CYBMUJFWSA-N 433.426 5.515 0 40 IKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 13688659 ZSRXPABIJYQWFB-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCCCn1c(-c2cccc(S(=O)(=O)N3CCCC3)c2)cs/c1=N\c1ccccc1 13749656 HBDXWJVMCWVIPD-VHXPQNKSSA-N 441.622 5.034 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 14155659 DVXGQZIQBHVUNJ-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 14155887 IZIATWOSZSHDTE-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccc(C)c(C)c1 14272338 PUFDCTKETAJYJK-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB CCN(CC)Cc1nc(N2CCC(C(=O)c3ccccc3)CC2)c2c(C)c(C)sc2n1 14729097 CIMASRZXWSRNTQ-UHFFFAOYSA-N 436.625 5.249 0 40 IKAB Clc1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)O[C@H](c3ccccc3)C4)SC2)cc1 15083113 WYPSVJZMLKIFRQ-NRFANRHFSA-N 444.947 5.633 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Br)c2)N3)C1 16192958 WAAAETNXNVUEOZ-SCLBCKFNSA-N 433.415 6.481 0 40 IKAB COc1cc(CNCc2cccnc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195657 NPKFWDNDSJFSPY-UHFFFAOYSA-N 437.754 5.919 0 40 IKAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl 16195823 CUYGFLXUNQOUBA-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccccc1Cl 16347447 HOLATCRQVXHWKG-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB Cc1ccc(-c2cn3cccnc3n2)cc1NC(=O)c1cc(Br)ccc1Cl 17121330 VLGYLPVAIOATEN-UHFFFAOYSA-N 441.716 5.373 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1)Nc1ccccc1 18191148 YCXTWDVWIWKJBG-UHFFFAOYSA-N 444.604 5.466 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)n1 19239782 GGHQNAIYWFXSCD-QFIPXVFZSA-N 427.379 6.189 0 40 IKAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 19632557 LFXJNFCJVQGAAZ-YNEHKIRRSA-N 440.744 5.251 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 20452499 HRUBQKIQWDUSHV-OAQYLSRUSA-N 433.596 5.187 0 40 IKAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccc(Cl)cc1Cl 22077303 YMOYVAXNYZRIKY-HWKANZROSA-N 432.097 5.441 0 40 IKAB Cc1ccc(N(Cc2ccco2)C(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1 23270798 RHYZCINLJKQTEN-UHFFFAOYSA-N 435.501 5.002 0 40 IKAB O=C1CN(C(=O)CCCc2ccccc2)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047992 POESWAAQTCQGMD-VWLOTQADSA-N 436.914 5.372 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 30858104 ROGLLDRKEFSNQF-GOSISDBHSA-N 448.868 6.567 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 30860240 GFIJZZDKXUKCGG-CPJSRVTESA-N 430.548 5.591 0 40 IKAB COc1ccc(-c2nc(CSc3nncn3-c3cccc(Cl)c3)cs2)cc1OC 32945236 XRWUDSPZQLESLU-UHFFFAOYSA-N 444.969 5.354 0 40 IKAB Cc1ccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)cc1 33114609 LSGDBWAULQDBSY-UHFFFAOYSA-N 431.605 6.049 0 40 IKAB Cc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400546 GQVRSRUQFZJJIQ-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(-c3ccccc3)csc2c1=O 38486775 LHWHKOKCCKFZHN-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)cc1 39388786 AXFSKZNAOOUFKO-XKZIYDEJSA-N 438.310 6.225 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(Cl)cc2)cc1 45354931 PTXGEODUUUCREM-UHFFFAOYSA-N 444.922 5.463 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3)=NC23CCCCCC3)cc1 45932860 YWPXJZNTHRAWID-UHFFFAOYSA-N 426.969 5.672 0 40 IKAB COc1ccc(CN(Cc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)C2CC2)cc1 57331571 KEBIGOCQCCJEDW-UHFFFAOYSA-N 437.590 5.195 0 40 IKAB COc1ccc(CN2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 58088658 MFJWSCQCKSDRMH-UHFFFAOYSA-N 441.527 5.361 0 40 IKAB biogenic CSc1ccc(-c2csc(NC(=O)c3ccc(NC(C)=O)c(SC)c3)n2)cc1 58142074 QZPJTGMMCJOHED-UHFFFAOYSA-N 429.592 5.465 0 40 IKAB CN(CCCc1ccccc1)C(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 72356315 CHTVAUPDPBMQBB-AREMUKBSSA-N 440.587 5.127 0 40 IKAB O=C(Nc1cccnc1Cl)N(Cc1ccccc1)C[C@H](O)c1ccccc1C(F)(F)F 96012628 UVTPXMMENJGDDU-IBGZPJMESA-N 449.860 5.522 0 40 IKAB CC1(C)CCN2CCC(C)(C)c3c2c1cc1cc(-c2nc4ccccc4s2)c(=O)oc31 100004499 MSDMPJCOOXURQD-UHFFFAOYSA-N 430.573 6.239 0 40 IKAB in-vitro ClC1=C(Cl)[C@@]2(Cl)[C@@H](COc3ccc(Cl)cc3)C[C@@]1(Cl)C2(Cl)Cl 100360389 GRPJFZFIUCJBJN-RDZIJCNDSA-N 441.396 6.571 0 40 IKAB CCCOC(=O)c1c(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)sc(C(=O)OC)c1C 101872302 PDFIODDBYKSOSY-CDZRIVGQSA-N 447.597 5.345 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)C1 102172536 FDJPQBPEKASROG-MRDQGFSESA-N 448.588 5.547 0 40 IKAB CCn1c(SCc2ccccc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 108188834 KGNVXVXSVPTSNU-CYBMUJFWSA-N 435.380 5.388 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 214799949 HQAGDLZPMSDMPX-VGOFMYFVSA-N 433.143 6.537 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl 222934397 DAFIHYSMFLDSDV-FCHUYYIVSA-N 425.001 5.463 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223087352 LFWYLHUYRPOJRB-UHFFFAOYSA-N 444.015 6.819 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223718489 BURTYHLMDMHQNK-OAQYLSRUSA-N 449.422 5.301 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224178666 SNLUFMMHZNSNPL-UHFFFAOYSA-N 433.548 5.510 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)nc1 224456875 XCZMSMBWLZQGCZ-GOTSBHOMSA-N 445.979 5.406 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224517301 KUYQPWMCPHYMEF-IBGZPJMESA-N 449.566 6.592 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224551468 BLUKAWIKPDAVQB-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224766890 SGDNVOXKMIXSMX-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1 224905939 LVWYCCSIRJMBBJ-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1C 224952152 UWNDEUSRPWLYLX-ORQKMDSUSA-N 448.588 5.028 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 225554557 WBDOECQYSWSNJN-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 225640146 RHZAVJUVSDDSFJ-AVRDEDQJSA-N 445.003 5.058 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C 225658511 GUXJNYXLOIOUHA-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(Cl)c2)CC1 257290565 QDLFRILDBSKCHN-UHFFFAOYSA-N 448.010 5.315 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(Cl)ccc2O)C1 257297055 RFPCFGANHPWLFK-VWPQPMDRSA-N 438.351 5.203 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H](c2cccc(-c3c(F)cccc3F)n2)C1 257323265 WJKNGPBZTCAHOK-XMMPIXPASA-N 447.485 5.041 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(F)cc1 408602580 AADRYRTVVODWST-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2cccc(C)c2)cc1 408697370 GTPSZLLXDZHANB-UHFFFAOYSA-N 434.499 5.657 0 40 IKAB Oc1nc(-c2ccc(OCc3ccc(F)cc3)cc2)nc2sc3c(c12)CCCCCC3 408992929 VBOWZVSKEKPQIM-UHFFFAOYSA-N 434.536 6.441 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409124383 BQDUOIWXJKKYPP-TVHGEUBISA-N 444.578 7.389 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccccc1 409177930 HFQKPJVFOAEMLV-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccccc5Cl)cc4)c(=O)n3c2cc1C 409390582 FYSHUUXQTUGVJU-QRVIBDJDSA-N 446.959 5.306 0 40 IKAB O=S(=O)(Nc1ccc(-c2cccnc2)c2cccnc12)c1cccc(C(F)(F)F)c1 473170830 RTHSEYQQWBBPHL-UHFFFAOYSA-N 429.423 5.116 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2cc3c(s2)CCC3)Cc2ccccc21 643587395 BRRMGHKMZMGYJP-UHFFFAOYSA-N 438.637 5.832 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NC3CCCCC3)sc2c1 706006 VJHLYOHAZAJINH-UHFFFAOYSA-N 439.606 5.398 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3nc(-c4cccc(F)c4)oc3c2)cc1Cl 722845 VQSXALGTGYKMIG-UHFFFAOYSA-N 431.250 6.202 0 40 IKAB Cc1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 838936 GUGQWUFTWKDRKX-AQTBWJFISA-N 441.350 5.229 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F 901243 UAXSDBPPVDBFEY-LLVKDONJSA-N 439.409 5.560 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc4c(c2)OCO4)N(c2ccc(F)cc2)C3=O)cc1 1088935 WDDRYSRFSYUBQA-DEOSSOPVSA-N 427.435 5.003 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc4c(c2)OCO4)N(c2ccc(F)cc2)C3=O)cc1 1088936 WDDRYSRFSYUBQA-XMMPIXPASA-N 427.435 5.003 0 40 IKAB Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c1C 1349366 XGUITKQKVUWEBD-UHFFFAOYSA-N 426.586 5.085 0 40 IKAB CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 1903597 GSVYVSJXHPDNPK-MUUNZHRXSA-N 444.644 6.465 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(NC(=O)C2CCCCC2)c(-c2ccc(Cl)cc2)c1=O 2337462 DFBZVDQQGZOOFV-UHFFFAOYSA-N 439.918 5.519 0 40 IKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc2c1 2372523 SLMHSAJWXSQFDJ-UHFFFAOYSA-N 439.492 6.176 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2Cc2ccco2)c1 2451191 MNPTXEIEJHAHGT-UHFFFAOYSA-N 446.576 5.551 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCc2ccccc2)c1 2562205 DCCXNDFCGRZCCC-UHFFFAOYSA-N 436.870 6.274 0 40 IKAB COc1cccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCC(C)CC2)c1 2589870 CIZCPAGYUCMLFA-RUZDIDTESA-N 448.632 6.447 0 40 IKAB C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 2714791 OOYFYQMWQFXQDH-WIYYLYMNSA-N 428.555 6.853 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 2790462 JHYGPZOPGFKZRI-GFCCVEGCSA-N 436.371 5.453 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1c(Cl)cccc1Cl 3237749 WWUKQKISELTZQO-UHFFFAOYSA-N 429.329 5.458 0 40 IKAB COC(=O)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)c1ccccc1 3354050 LDIVNXGMHXVSBW-QFIPXVFZSA-N 429.545 5.558 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccccc1C(F)(F)F 3655944 RLHRMIWFIWGBNA-UHFFFAOYSA-N 428.454 6.062 0 40 IKAB CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(F)cc3)cs2)cc1 3765389 LMHWEAOCEJXPKR-UHFFFAOYSA-N 433.430 6.219 0 40 IKAB CC(=O)C[C@H](SCCSCCS[C@@H](CC(C)=O)c1ccccc1)c1ccccc1 4352970 AOKADWHXGUNZMD-ZEQRLZLVSA-N 446.703 6.627 0 40 IKAB c1ccc(CSc2nc3c(c(N4CCCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 5150467 CWZZPAKMKHBXJJ-UHFFFAOYSA-N 427.617 6.404 0 40 IKAB CCC1=C[C@@](C)(CC)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6077821 RBHPFOOQFJIKCB-JGCGQSQUSA-N 443.634 8.457 0 40 IKAB Clc1ccccc1Cn1nnc2c(N(Cc3ccccc3)Cc3ccccc3)ncnc21 8382964 KIDSJNQVBWXKKO-UHFFFAOYSA-N 440.938 5.130 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8755201 WLEUCRMMPSYVPP-FQEVSTJZSA-N 429.951 5.821 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c(C)c1 8757155 MYPIGKXDGCIOGK-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB FC(F)(F)c1cnc(Oc2ccc(-c3nccc(-c4cccs4)n3)cc2)c(Cl)c1 8762976 XPGPMEMMNRFOSQ-UHFFFAOYSA-N 433.842 6.732 0 40 IKAB O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCCC2)CCCCC1 8801939 BOQYONHSZZJKQN-UHFFFAOYSA-N 444.666 5.533 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3o2)c1 8831161 ISRCZAOQGBIRQP-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB Cc1cc2oc(C)c(C(=O)OCc3ccccc3)c2cc1NS(=O)(=O)c1cccs1 8870423 BBCYEYJBKPKJQY-UHFFFAOYSA-N 441.530 5.269 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1cc(Cl)c2c(c1)OCCCO2 8921077 WNBNKSQHOKOGKP-UHFFFAOYSA-N 433.291 5.048 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 9007997 OVLGPJFWFLOUQN-MHECFPHRSA-N 444.478 5.125 0 40 IKAB CCc1ccc(-c2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4[C@H]3C)s2)cc1 9059038 GJNDEAYQTWBPKR-MRXNPFEDSA-N 436.577 5.458 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1 9064854 DIZQTOCUMBGRHQ-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 9129999 NKPWUCYQGNOGNE-UHFFFAOYSA-N 443.503 5.428 0 40 IKAB biogenic CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccccc1 9144976 FHQWKSGJCRTHJX-JOCHJYFZSA-N 430.508 5.157 0 40 IKAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1 9159198 JBNYSXDCWZOCNY-JOCHJYFZSA-N 436.471 5.100 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C3CCCCC3)cc2)nnc1-c1ccccc1O 9295587 YYUADCXEWCZDOI-UHFFFAOYSA-N 436.581 5.449 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)c1ccc(C(=O)c2ccccc2)cc1 9391607 LFXGELIKDYJMFW-UHFFFAOYSA-N 443.503 5.242 0 40 IKAB CSc1nc2ccc3nc(NC(=O)c4ccccc4Oc4ccccc4)sc3c2s1 9404747 BUCDUYQXSOORAZ-UHFFFAOYSA-N 449.582 6.673 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)s2)o1)c1cc(-c2ccccc2)nc2ccccc12 9471869 VVVMCDWBYSWVGO-UHFFFAOYSA-N 432.892 5.919 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccc(C)cc1 9479395 QSDSPHQGMRRCAE-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)c1 9751169 QZLVRNIWUOJAQL-UHFFFAOYSA-N 435.549 5.228 0 40 IKAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)Cc1csc(-c2cccc(Cl)c2)n1 9832069 GPPVTORDFBRZEX-UHFFFAOYSA-N 449.963 5.256 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 9892190 MLUDVLSBGPQJPV-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(OC)c1OC 9973459 LULHVBFRNDYYPC-GXDHUFHOSA-N 439.895 5.810 0 40 IKAB Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493594 JCSRDLSOEOZJLG-UHFFFAOYSA-N 430.861 6.032 0 40 IKAB O=C1NCCCC[C@@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 11071475 RZBDEMXWIVZBAW-SFHVURJKSA-N 447.391 5.061 0 40 IKAB O=C(c1cc2ccccc2s1)N1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12375987 SPARADHATUHZAM-RUZDIDTESA-N 447.003 6.102 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(OC)c(F)c4)cs3)[C@@H](c3ccco3)C2)cc1 12420485 URVOGWBFONYRKN-OAQYLSRUSA-N 449.507 5.915 0 40 IKAB COc1ccccc1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1cccs1 12601430 VFRJQXVCSDMMMM-UHFFFAOYSA-N 431.561 5.201 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3C)cc2c1 12645152 UGPJWLGKBJZBFY-UHFFFAOYSA-N 426.516 5.078 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(Cl)cc1Cl 12676977 PTWNGRIARFMDRH-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 12873664 OHUHKXQUPRAQPK-UHFFFAOYSA-N 437.710 5.618 0 40 IKAB C[C@@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCN(c5ccccc5)CC4)c23)C1 13031784 YCTJVLRHYIQBLV-GOSISDBHSA-N 441.604 5.205 0 40 IKAB O=C(O)C12C[C@H]3C[C@@H](C1)CC(c1ccc(C45C[C@@H]6C[C@@H](CC(C(=O)O)(C6)C4)C5)cc1)(C3)C2 13401580 SEBFRJUCYLOQKF-MPIBQLFNSA-N 434.576 5.532 0 40 IKAB CCc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 13503542 VWAIVLZHCANVGB-SANMLTNESA-N 444.575 5.987 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(-c3ccccc3)cc2)n1Cc1ccc2c(c1)OCO2 13637379 PEOSTSAMXUTVFM-UHFFFAOYSA-N 432.479 5.508 0 40 IKAB COc1cc(NC(=O)c2sc(-c3ccc(OC)c(OC)c3)nc2C)c(OC)cc1Cl 15611171 QQJIPMWBUJFNMG-UHFFFAOYSA-N 448.928 5.059 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 16284276 BVYQNMLCJIYVLD-UHFFFAOYSA-N 441.965 5.547 0 40 IKAB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 16322984 BXBBJVPLEYLWRP-UHFFFAOYSA-N 431.772 5.777 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Br)ccc1O 16451267 GVNISHHSSGFNKF-FQEVSTJZSA-N 445.696 5.589 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 16611134 PWSIGKMORHCQAY-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 16840635 APDJWIIDPFYOKP-UHFFFAOYSA-N 438.556 5.897 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17094573 SMHWMCMHXXAGKX-SFHVURJKSA-N 425.598 5.227 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 17096369 XTWYJUUAVPUAAR-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB CCc1c(Cc2[nH]c(/C=C3\N=CC(C)=C3C)c(C)c2CC)[nH]c(/C=C2\N=CC(C)=C2C)c1C 17146860 SSWSAFAYPXUVEG-DYMUKZBDSA-N 440.635 7.199 0 40 IKAB COc1cc(/C=N/Nc2ccc(C(F)(F)F)cn2)c([N+](=O)[O-])cc1OCc1ccccc1 17648594 HZUJGKBJNSBMPZ-KBKYJPHKSA-N 446.385 5.042 0 40 IKAB CC1=C(C(=O)OC(C)(C)C)C(c2ccc(C(C)(C)C)cc2)C(C(=O)OC(C)(C)C)=C(C)N1 19597541 ZEBSXGMIASCIMQ-UHFFFAOYSA-N 441.612 5.902 0 40 IKAB Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl 19738746 CVZOKVPATBZNFZ-QHCPKHFHSA-N 437.049 5.446 0 40 IKAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(Cc2cccs2)C4)cc1OC 20677938 CRGOINAJANHQCN-UHFFFAOYSA-N 449.528 5.199 0 40 IKAB biogenic COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3ccccc3Cl)nn1-c1ccccc1)C2 20745609 ZDWHNRQKOPLSJV-UHFFFAOYSA-N 445.906 5.366 0 40 IKAB Nc1c(Cl)c(Cl)nc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1Cl 22056943 PLBHJHMAUDBCEI-UHFFFAOYSA-N 430.502 5.167 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 22275059 CRNFJBDFNFGOOY-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(C1CCN(C(=O)[C@@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCCC1 24142260 ZKWZODCLSQHDHT-DEOSSOPVSA-N 436.621 5.161 0 40 IKAB COc1cc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)c(OC)cc1Cl 27983231 HSKRCCSIZHZGMM-UHFFFAOYSA-N 427.884 5.270 0 40 IKAB COc1ccccc1NC(=O)c1nc(SCc2cccc(C)c2)ncc1Br 28292405 PSLNFKVRSQAKFW-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB C[C@@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nc(-c2ccco2)no1 29740079 GTDHMABJBFVDIS-CYBMUJFWSA-N 442.932 5.017 0 40 IKAB Cc1cc(NC(=S)NC(=O)Cc2ccccc2)ccc1NC(=O)c1cc2ccccc2o1 32114913 PJINCJCTSPKUHA-UHFFFAOYSA-N 443.528 5.049 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c(C)c1 32125369 NTFQIHRHFKKPMH-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB Cc1ccc(-c2csc(-n3c(NC(=O)COc4ccc(Cl)cc4)cnc3C)n2)cc1 32616186 PQOSUODJEUERDH-UHFFFAOYSA-N 438.940 5.284 0 40 IKAB COc1ccc2c(CC(=O)N[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1 32925157 SCQPOBDCIHNKOW-QGZVFWFLSA-N 428.488 5.114 0 40 IKAB Cc1cc([C@@H]2CCCN2C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)on1 32933124 WLUNJBNLXIYGIC-KRWDZBQOSA-N 426.929 5.323 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c(Cl)c1 32999429 UEPSTNFDBQPVAK-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc(-c2ccc(Br)cc2)cc1 40159291 SPAXUPIYFJHKHX-UHFFFAOYSA-N 435.277 5.428 0 40 IKAB CCN(CC)CCCNc1ncnc2c1[C@H](c1ccccc1Cl)c1ccc(O)cc1O2 44928719 XDFMMYHPRBJNHX-OAQYLSRUSA-N 438.959 5.265 0 40 IKAB COc1cccc(Oc2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)c1 48302070 ODPAWGYSSKMZOQ-UHFFFAOYSA-N 433.895 5.323 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1 49005006 AAEDMXXLZLODLM-SFHVURJKSA-N 434.540 5.104 0 40 IKAB CC1CCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)CC1 49006687 SFHKGAXOOIXBFM-UHFFFAOYSA-N 444.910 5.116 0 40 IKAB Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CN4C[C@H](C)C[C@@H](C)C4)cc23)c1 57740325 FJTBGHSWZORENE-WOJBJXKFSA-N 426.564 5.167 0 40 IKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(CCc3ccccc3)c(=O)c12 67260319 ZESAEOLVEVWDAP-UHFFFAOYSA-N 448.935 5.380 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)c(Cl)c1 67293061 CSQUTTMSIDKPBK-DAAIQYDRSA-N 431.319 5.189 0 40 IKAB Fc1cccc(Nc2noc3c2CN(Cc2ccc(OCc4ccccn4)cc2)CC3)c1 72397230 ZRRDUFXLMMBJNX-UHFFFAOYSA-N 430.483 5.090 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccc(C)cc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100427112 GJOLVIJGYYPNSF-XHCCPWGMSA-N 428.507 6.772 0 40 IKAB CCOc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2nc(-c3ccccc3)nn21 102875529 QLDHWJYEIRVHRF-QFIPXVFZSA-N 428.923 6.053 0 40 IKAB CCCCCC[C@H](C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F 113103659 VDXVHNIYCHTFIC-LTHPYGAZSA-N 448.682 9.583 0 40 IKAB COC(=O)CCC(=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 118924166 OYPYMNFOUYYNKV-QHKUEKRWSA-N 432.601 5.099 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 216423233 GYMACIIKGASZEU-SFHVURJKSA-N 449.016 5.013 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 222556179 QIRUEDMXZGDHFL-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 223076164 YQMJOVWKTLCZGS-UHFFFAOYSA-N 432.951 6.309 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 223551037 OLKPFSAZFWIUEG-XZOQPEGZSA-N 444.585 5.394 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 223589721 NFPXAXHTSNUAMZ-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 223651637 PRBKWSCDKAMTSZ-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 223741076 OXJBSDXMNHWOHV-QHCPKHFHSA-N 429.004 5.305 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223960754 FKPHGJAECCCJLX-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB CCCSc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 223984067 CIUGUUQUAIFXLR-UHFFFAOYSA-N 436.027 6.238 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1cc(C)cc(C)c1 224192777 RKNAHTILBAHNLK-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB Cc1nc(Oc2ccccc2F)nc(C)c1NC(=O)COc1ccc(Cl)cc1Cl 224336962 HEJJNZLBVWWRLQ-UHFFFAOYSA-N 436.270 5.349 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc(Cl)cc1 224471398 OETVNZCZPHVPCY-GOTSBHOMSA-N 437.012 6.219 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)s1 224483967 FFKSQJKSEQCIAI-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 224616475 CQXLKBBTGJOMKR-PKTZIBPZSA-N 447.947 5.878 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1CSc1ccccc1 224652317 CBMDCRKBFACAGI-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224653691 WRRDMNJBVYQOAY-LOSJGSFVSA-N 440.572 5.872 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224659801 RMAHATOFQOBBMT-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225099551 ZNLQCLVMXJJYRY-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225225685 XOZDZEYVHKMFJK-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB Cc1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1N1CCCC1=O 225608008 RAJHPSFSSPEIIK-UHFFFAOYSA-N 448.057 5.385 0 40 IKAB FC(F)(F)c1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Cl 225854852 BWWIVSGCIHSILR-UHFFFAOYSA-N 426.935 6.591 0 40 IKAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 226346307 MRUOIWLNCJRXQQ-GQYOUUAKSA-N 445.518 5.313 0 40 IKAB CCOc1ccc(S(=O)(=O)N2CCN=C2Cc2cccc3ccccc23)c2ccccc12 231426759 JXJMLGKVNAOHEX-UHFFFAOYSA-N 444.556 5.037 0 40 IKAB Cc1ccc(C[C@H]2CC[C@@H]3CN(CC(=O)N(c4ccccc4)c4ccccc4)C[C@@H]32)nc1 257273201 NFQOYWBYIGALFD-AZSVPQILSA-N 425.576 5.255 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)c2c1 409007995 UBXPMBOYWYBKJQ-ULJHMMPZSA-N 447.556 5.916 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2Cl)c(C)c1 409380883 JNSYXQPPNLKVQV-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc2nc(C[C@H]3CN(Cc4ccc(C(F)(F)F)cc4)CC[C@H]3CC(=O)O)[nH]c2c1 514288635 JLNJBCQHEIZPIN-ROUUACIJSA-N 445.485 5.046 0 40 IKAB biogenic,in-vitro O=C(c1cccs1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575442929 KHDHMHFTRCYEEI-UHFFFAOYSA-N 429.332 6.427 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3ccc(C)c(C)c3OC(C)(C)[C@H]2C[C@@H]1C(=O)O 585264794 NINAPQGWEQLBKT-FZZWXMEGSA-N 438.564 5.653 0 40 IKAB Cc1ccccc1C(=O)N1CCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582750 MNKHCKDLBOWFKM-NOZRDPDXSA-N 434.580 5.083 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1C 702342 JXHQCWHKXPBVFP-AWEZNQCLSA-N 433.986 5.507 0 40 IKAB C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 727023 CVKOIJVKLFRETD-FEIQLAPHSA-N 434.322 5.780 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Br)o1 885905 CXUVEXVCUWHDPE-UHFFFAOYSA-N 433.261 6.256 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1sc(Nc2ccccc2F)nc1-c1ccccc1 1061282 KLCLKSCJXCUENE-UHFFFAOYSA-N 447.491 5.716 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccco1)c1ccccc1F 1341669 TYQCXXVBXCOBAX-HSZRJFAPSA-N 438.474 5.395 0 40 IKAB CC(C)c1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)C[C@H](C)CC3 1375696 FEUHFNBSBGBPIT-CYBMUJFWSA-N 431.652 5.410 0 40 IKAB Cc1ccc(-c2nc(NC(=O)CSc3cc(Br)ccc3C)sc2C)cc1 1810831 KJCNJKVFTGBPQL-UHFFFAOYSA-N 447.423 6.229 0 40 IKAB Cc1ccc(NC(=O)c2sc(Nc3ccc(C)c(C)c3)nc2-c2ccccc2)cc1C 1896010 VHHUZIMNQRSZNQ-UHFFFAOYSA-N 427.573 7.040 0 40 IKAB Cc1ccc(NC[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C)ccc32)cc1 2059372 QCVMWQPDOJNKIV-MHZLTWQESA-N 446.594 7.065 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCC(=O)NC(C)C)c(C)c1 2620943 QVAOEEBBZJMMPV-UHFFFAOYSA-N 444.604 5.245 0 40 IKAB Cc1cccc(OCC(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1 3162581 OBHDROYMKKQWGR-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NC1CCCCC1 3246383 AIBMBTGAULIUHM-UHFFFAOYSA-N 436.939 5.469 0 40 IKAB O=C(OCc1csc(-c2ccccc2)n1)c1ccccc1OCc1ccccc1Cl 3275871 BUEMLNUZAFYMIR-UHFFFAOYSA-N 435.932 6.400 0 40 IKAB CCOc1ccc2nc(SCC(=O)c3cc(C)n(Cc4ccco4)c3C)sc2c1 3328262 UGEHBIXEJZFEJN-UHFFFAOYSA-N 426.563 5.730 0 40 IKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nc3cc(Cl)ccc3c2=O)cc1 3338460 DIMNUNLYLORYGA-UHFFFAOYSA-N 442.971 6.793 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3ccc(COc4ccc(Cl)cc4)cc3)CC2)c1C 3366545 ZNQPDXJHWOFYEW-UHFFFAOYSA-N 434.967 5.498 0 40 IKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 3658780 LXPOJEAKUGCFTC-KRWDZBQOSA-N 447.560 5.530 0 40 IKAB Cc1cc(C)cc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752590 QGXJGQBLCBBKSZ-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 8397272 PLFDGEWUSRERIU-OPQYHKBDSA-N 447.534 5.509 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 8707853 XIDNIFPPWUHQEW-MRXNPFEDSA-N 440.569 5.094 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3cccc(C)c3)CC2=O)cc1 8752267 URVSRZJELYLZMN-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3ccc4ccccc4n3)[C@H](c3ccco3)C2)cc1 8898626 GAMIPXFTBMWODR-QFIPXVFZSA-N 443.528 5.306 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc1O2 8961497 YVAVCJQIISSZRN-UHFFFAOYSA-N 436.533 5.302 0 40 IKAB C[C@@H]1CC[C@@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 9059409 NFBZLNYJLUCADR-ZIAGYGMSSA-N 435.515 5.000 0 40 IKAB O=c1oc2cc(OCc3ccccc3C(F)(F)F)ccc2cc1-c1ccc2ccccc2n1 9086425 XZOIRCAMFYSLMC-UHFFFAOYSA-N 447.412 6.606 0 40 IKAB Clc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)c(Cl)c1 9199808 TUVOANJNQDITOV-UHFFFAOYSA-N 427.356 6.849 0 40 IKAB CCC1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 9290710 XUZQUSSXMMALQL-FCRSDJTPSA-N 425.370 6.289 0 40 IKAB CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)n2ncnc2N3)cc1 9489407 HKFMMXUUWLELPP-XZOQPEGZSA-N 428.517 5.298 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9748517 NEWVSNVBQKWSFR-UHFFFAOYSA-N 448.935 5.634 0 40 IKAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 9778787 FGLZDTMENILOMJ-UHFFFAOYSA-N 445.548 5.085 0 40 IKAB CN(Cc1ccccc1)C(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9851198 SQDKCGNJCMJJPT-PZJWPPBQSA-N 447.000 5.350 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(F)cc1 9968909 HIEWHLKNZRTLTR-UHFFFAOYSA-N 436.508 5.257 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(Cl)cc1Cl 11617276 IZBADQLAVLFCFW-UHFFFAOYSA-N 434.167 6.193 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12195432 LXXJZTMDCOKJQF-RSXGOPAZSA-N 432.951 6.761 0 40 IKAB CSc1ccc(/C=C2\CCCC3=C2Nc2ncnn2[C@@H]3c2ccc(SC)cc2)cc1 12371883 QWWLGCRNAKLDCV-NLMIPJBGSA-N 432.618 6.258 0 40 IKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 12469023 WRSBDDICXYZOBO-UHFFFAOYSA-N 432.976 6.661 0 40 IKAB COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1Cl 12589951 WMUONEKCDVLBTP-XMMPIXPASA-N 435.955 5.741 0 40 IKAB COc1ccc2cc(CN(C)C(=O)c3csc(-c4cccc(OC)c4OC)n3)ccc2c1 12861155 UZAJZMRNFIOOBR-UHFFFAOYSA-N 448.544 5.261 0 40 IKAB S=C(Nc1cccc(Cl)c1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878363 JHQOVYUULPFLSB-UHFFFAOYSA-N 449.432 5.636 0 40 IKAB CCOc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3ccc(OC)cc3)cs2)cc1 13015251 CHPBMNVTCSRQRO-OAHLLOKOSA-N 428.579 5.478 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 14086650 YXGKIDROXZQNQX-MUUNZHRXSA-N 436.555 6.063 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)nc2c1 14270198 HJQYPJHYDCXSBR-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB CCOC(=O)c1ccc(Oc2ccc3c(c2)OCO3)c(NC(=O)c2ccccc2Cl)c1 15108411 AQXJZBWMRDTGBS-UHFFFAOYSA-N 439.851 5.290 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17094322 YSWPPEGYKGROBQ-KPKJPENVSA-N 425.340 6.922 0 40 IKAB COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 17096339 ZKUDHLRAEZFAAV-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 17098351 OPNIYTVFPLPQCA-UHFFFAOYSA-N 433.364 5.051 0 40 IKAB Cc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(C)cc3)c2Cl)cc1 19635176 URLHECKZRNULNJ-UHFFFAOYSA-N 441.987 7.600 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 19688153 NIWUQUCGUAKACQ-HSZRJFAPSA-N 432.539 5.159 0 40 IKAB Cc1cccc(-c2csc(-c3nc(-c4ccc(OC(C)C)cc4)no3)c2-n2cccc2)c1 21730630 RIJUVCQJUXULQJ-UHFFFAOYSA-N 441.556 7.018 0 40 IKAB CCOc1ccc(CCC(=O)N[C@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC 22520769 PKDMHDJUNCGKND-GOSISDBHSA-N 429.557 5.091 0 40 IKAB COc1cc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)cc(OC)c1OC 23125392 XJOLTBIYJRNPLX-UHFFFAOYSA-N 448.544 5.792 0 40 IKAB COc1c(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)ccc(Cl)c1Cl 27823175 FFTAKILWNHMCOP-UHFFFAOYSA-N 447.343 5.180 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 30847809 OPJMJKAATKPNQH-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 30938713 PMVLIBXKTDLGTQ-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 33460226 WDTRTQDXSFQZGD-UHFFFAOYSA-N 446.579 7.081 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 35533838 DNVUHEGWNVXSON-UHFFFAOYSA-N 449.860 5.684 0 40 IKAB O=C(Nc1sc(NC(=O)c2ccccc2Cl)nc1-c1ccccc1)c1ccccc1 35671722 HUPPOMGAIDUKRK-UHFFFAOYSA-N 433.920 5.968 0 40 IKAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(Oc4ccc(F)cc4)cc3)c12 36615802 HLYHFNMRSYGOCH-UHFFFAOYSA-N 430.483 5.016 0 40 IKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 71327648 QHPZWYZWXLLTLV-UHFFFAOYSA-N 441.021 6.263 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2N1 72332683 MXJSSPRKBGEPMU-DEOSSOPVSA-N 441.922 5.526 0 40 IKAB COCc1cc(CN2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C 72376455 ZNAMJNMPOSNKGR-HSZRJFAPSA-N 447.583 5.194 0 40 IKAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCC(COCc2ccc(Cl)cc2)CC1 77191591 BYAXEQFBXAHCJP-UHFFFAOYSA-N 427.850 5.308 0 40 IKAB O=C(N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84392818 SCBCPRWADSDPSV-IINYFYTJSA-N 438.113 5.484 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cs1 96634906 WZBPHMJLWUQLIN-YBFXNURJSA-N 437.908 5.134 0 40 IKAB C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 102644880 LDALHFVGDABISL-XMCHAPAWSA-N 443.341 5.032 0 40 IKAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 102729736 DFIXEEFDUMGXRH-ZTCOLXNVSA-N 449.300 5.083 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]32)C1 118913605 MCVIVMYFDOKJSH-MAIKWSJFSA-N 438.608 6.186 0 40 IKAB Cc1c(Cl)cccc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215741859 NKQGCASSHOEUQN-GHRIWEEISA-N 426.303 5.358 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c(Br)c1 218867222 RXNQPEXRJWAUAX-GOSISDBHSA-N 432.358 5.117 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222677319 XWKCFKKRFXSJGN-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 222713979 UCMDXYYSHYYMSJ-LVXYXVKQSA-N 444.387 6.628 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CN2CCCCCC2)cc1 223648780 QZMIJHSSEHAXIA-UHFFFAOYSA-N 426.973 5.487 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223732399 JDYNGABQCDPZHG-VWLOTQADSA-N 438.612 5.186 0 40 IKAB Cc1ccc(CN(C(=O)COc2cccc3ccccc23)[C@H](C)C(=O)NC2CCCC2)cc1 223812206 MQQVXUDQYNHKAZ-OAQYLSRUSA-N 444.575 5.003 0 40 IKAB Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)cc1 224009537 PEKPWLPMDJYOCS-UHFFFAOYSA-N 448.611 6.461 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 224245297 SCIDPIOJRWCXPR-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224625370 XOAHBQPZIWCMNX-DHIUTWEWSA-N 443.597 6.421 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccc(C)cc1 224668026 WUCKAAGFUOHTFY-UHFFFAOYSA-N 434.561 5.897 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 224672503 PYWCQRKRDFAIBI-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225049989 WVMSLGPRFQTCNB-SFTDATJTSA-N 438.612 5.003 0 40 IKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)CC1 225526052 NIXXGFOVVMNLEH-UHFFFAOYSA-N 441.015 5.901 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CSCc1ccc(Cl)cc1F 225728756 KYGRENJRESXZNE-UHFFFAOYSA-N 440.327 5.074 0 40 IKAB O=C(O)c1cc(Cl)ccc1OCC(=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 257238239 HKCBPBAVLCHYAM-UHFFFAOYSA-N 444.314 5.299 0 40 IKAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 408535322 VXHOWKWHABYTMF-FPXKJXHESA-N 441.574 5.524 0 40 IKAB CCOc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 408556679 LCWWZTMIRDGROU-DEOSSOPVSA-N 439.964 6.096 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)sc2n1 408636649 SBAHCYAKUZAHFR-UHFFFAOYSA-N 438.500 5.285 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c(C)c1 408646397 OVTKJDVGTSJYJB-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 408670311 IMLUOSCKAVNIGF-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 408675875 LLSSZLUSWHFSMW-UHFFFAOYSA-N 426.516 5.868 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408680015 XQGFNLOFYFGURE-UHFFFAOYSA-N 446.506 6.528 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)cc1Cl 408682509 JJJBTTRMQSKTHB-UHFFFAOYSA-N 435.738 5.726 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccccc2)=N[C@H]1c1ccccc1 408993299 WBLPRZQHJCKHFF-QHCPKHFHSA-N 428.557 5.595 0 40 IKAB O=C1N/C(=C\c2ccc(-c3cccc(F)c3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 409008698 AFQYTDLHLSUVHX-ZDLGFXPLSA-N 431.250 5.485 0 40 IKAB CC[C@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)c1ccccc1 409180297 WBLZSUBZUCTOJA-DEOSSOPVSA-N 429.903 6.374 0 40 IKAB CCCCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@@](O)(C(F)(F)F)C1 409182889 POZOWXYKRSSXDJ-SFHVURJKSA-N 436.927 5.383 0 40 IKAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N[C@H]1CCC[C@H]1c1ccccc1C(F)(F)F 509947719 WTHYKRDJWHTRGN-WMZOPIPTSA-N 431.458 5.063 0 40 IKAB COc1ccc(-c2ccc(C(=O)O)c(COc3ccccc3)n2)c(OCc2ccccc2)c1 585265860 SWSJFAQAXYFUNV-UHFFFAOYSA-N 441.483 5.613 0 40 IKAB CC(C)CCN(CCC(=O)O)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccccc1Cl)O2 585267484 NUYQQTUYFNQGQZ-VWLOTQADSA-N 443.971 5.239 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C)c(F)c4)c3n2)cc1 649107 PZYGQYIZULTWAT-UHFFFAOYSA-N 426.398 5.042 0 40 IKAB O=C(c1cnn2c(-c3ccccc3)cc(-c3ccccc3)nc12)N1CCCc2ccccc21 721070 GCDCLPAENKUMNC-UHFFFAOYSA-N 430.511 5.656 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 844955 ULIGLMAXRWKOHE-UHFFFAOYSA-N 434.780 5.460 0 40 IKAB Cc1cccc(NCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 877647 BTQHAKARHAZQDM-LJQANCHMSA-N 443.576 5.307 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1ccco1 1341690 MOAIUXQNDHQTAQ-VWLOTQADSA-N 448.538 5.294 0 40 IKAB CC1(C)Oc2ccc(C(=O)Nc3ccccc3)cc2N(Cc2c(F)cccc2Cl)C1=O 1342406 LWKSFWFSKLBTCM-UHFFFAOYSA-N 438.886 5.436 0 40 IKAB CC(=O)c1c(-c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nn(CCNC(C)C)c1=O 1582004 FKWKCSOALDWNOO-UHFFFAOYSA-N 444.362 5.085 0 40 IKAB Cc1ccc(COc2ccc3c(=O)c(Oc4cccc(C)c4)c(C(F)(F)F)oc3c2)cc1 1748207 ZDTZKSYTRKYMFW-UHFFFAOYSA-N 440.417 6.800 0 40 IKAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771701 KUAWWFFCXLJTOK-QGZVFWFLSA-N 430.456 5.583 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1ccc([C@@H](C)CC)cc1 1854312 DFNJCFORSJUVGS-AWEZNQCLSA-N 437.321 5.385 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 2069810 VOESBIPDAUMVOL-FQEVSTJZSA-N 444.575 6.278 0 40 IKAB O=C1OC(c2ccc(Cl)c(Cl)c2)=N/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 2137494 HBEBYPNFSIGDBT-NDENLUEZSA-N 438.266 5.557 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 2249561 WMWWMOZVZYXHIF-UHFFFAOYSA-N 447.369 7.240 0 40 IKAB C[C@H]1CCc2sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c3c2C1 2259046 GQAJGFFCPQKMRD-KRWDZBQOSA-N 432.614 5.923 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c(C)c1 2453069 ZRZBUKJHAGUXQZ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccccc1C(=O)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2688117 VAOILYDUTWKLMA-HNNXBMFYSA-N 425.665 5.552 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc(OCc3ccccc3)c(OCc3ccccc3)c2o1 3214475 XECXTYUEFNURKZ-UHFFFAOYSA-N 434.491 6.618 0 40 IKAB COc1ccc(-c2cc(C(=O)NCCc3ccc(Cl)cc3)c3ccccc3n2)cc1OC 3241628 YLEWHNHAHPHUSD-UHFFFAOYSA-N 446.934 5.545 0 40 IKAB COc1ccc([C@H](CNC(=S)c2ccc(C(C)(C)C)cc2)c2c[nH]c3ccccc23)cc1 3348959 MQUDDKILODXDNE-DEOSSOPVSA-N 442.628 6.571 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc(C)c(C)c(C)n4)cc3)sc2c1 3448298 MNHHOKXAYZHYOI-UHFFFAOYSA-N 434.590 5.718 0 40 IKAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 4427916 ZGZCPKYSCDYMOF-UHFFFAOYSA-N 428.513 5.692 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3c(C)c(C)cc(C)c3C)c3ccccc32)cc1 4555232 CXMOGRDKDBHHAC-NDEPHWFRSA-N 427.544 5.236 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCCNCCO)[C@@H]3CC[C@@]21C 4743448 GKXLUGLOAOBFQD-WTYIUZJDSA-N 433.721 6.239 0 40 IKAB OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)[C@@]1(O)CC=CCC1 5551318 VEQUNRUINVXWLL-SSEXGKCCSA-N 432.563 6.728 0 40 IKAB Cn1c(/C=C(/OC(=O)c2ccccc2)c2ccccc2)nc2cc(Br)ccc21 8400378 XBENPJPYLOAJFJ-RCCKNPSSSA-N 433.305 5.691 0 40 IKAB Cc1sc2ncnc(S[C@H](C)C(=O)N3c4ccccc4Sc4ccccc43)c2c1C 8686453 WHBLZTLLGHPYCP-OAHLLOKOSA-N 449.626 6.618 0 40 IKAB aggregator O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 8717626 QSLDPHPBAYCTKB-OZXSUGGESA-N 436.467 5.741 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 8831117 AIRQKMUIAAGISQ-UHFFFAOYSA-N 447.585 5.619 0 40 IKAB COc1ccc([C@H]2CCCCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)cc1 8880977 ONIIWURLKHRGIM-JOCHJYFZSA-N 444.535 5.826 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)sc(C)c1C 8951736 CYWFTJOUFOPMEB-FQEVSTJZSA-N 449.528 5.248 0 40 IKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)c1 9343975 LSJFRPSVYUWCID-UHFFFAOYSA-N 442.515 6.244 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CSCc2nc(-c3ccccc3OC(F)F)no2)cc1 9349553 BXLQBWPIXCNOSU-UHFFFAOYSA-N 447.507 5.507 0 40 IKAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccccc3F)cc(=O)oc2c1 9663563 INWPTEKMXSTDPX-UHFFFAOYSA-N 444.487 5.232 0 40 IKAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(Cl)ccc3s2)cc1 10187709 VHOOZJPFVPRLKQ-UHFFFAOYSA-N 435.936 5.703 0 40 IKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccc(Br)cc1 10236744 OAAWHRYGOYCYHU-UHFFFAOYSA-N 430.302 5.146 0 40 IKAB Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12640290 RDMZDLDUMBUELO-UHFFFAOYSA-N 445.529 5.743 0 40 IKAB COc1cc(C2=NNC(c3cccnc3)=Nc3ccccc32)ccc1OCc1ccccc1 12707452 FIPFCCOAOGNHDE-UHFFFAOYSA-N 434.499 5.103 0 40 IKAB Cc1cccc(Nc2nn(CN(C)Cc3cccc(Cl)c3Cl)c(=S)s2)c1 13097943 SVEYCFUCEFLQSR-UHFFFAOYSA-N 425.410 6.122 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 13513934 ZBXGWMMQZFACIC-UHFFFAOYSA-N 442.390 7.135 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 13645360 FWDPHRPQKVGFJL-QXTIUPHPSA-N 446.506 5.060 0 40 IKAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 14269162 RRIVYIRPVUADFW-UHFFFAOYSA-N 443.572 5.731 0 40 IKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccc(-c2nc3ccccc3o2)cc1 14801943 NNBHSGBMUIOOKW-UHFFFAOYSA-N 429.476 5.939 0 40 IKAB O=C(NCCCNC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 16399360 OJFQOSDFQACDIQ-UHFFFAOYSA-N 448.367 5.058 0 40 IKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(OCc2ccccc2)cc1 16480383 KAXFTTLDVRFDLD-UHFFFAOYSA-N 445.588 5.383 0 40 IKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17096609 AXXMVYVEVBJNNU-UHFFFAOYSA-N 429.545 6.165 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1)c1c(F)c(F)c(F)c(F)c1F 17101700 XBSMCQKNJYKUQT-UHFFFAOYSA-N 437.755 5.831 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(Br)cc1 17169919 NVEYIWDYJXUHBJ-UHFFFAOYSA-N 441.350 5.356 0 40 IKAB COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)cc1 19555445 CZOFHFXAZVEDAD-UBFVSLLYSA-N 438.637 5.154 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1N1C(=O)c2ccccc2C1=O 19633134 DAIQYVMOLKSRAR-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 19646688 OUMMAIHSPFJXKE-CVEARBPZSA-N 447.940 5.239 0 40 IKAB Cc1cccc(-c2nnc(CSc3nnc(COc4ccc(Cl)cc4C)o3)o2)c1 19929306 SXFWSUMAZLEHBZ-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 20489397 RBIZIHLROILHOL-UHFFFAOYSA-N 425.381 5.394 0 40 IKAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 20624091 GIAJDZFBAPFCBO-SFHVURJKSA-N 431.967 5.422 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072534 LYAYUKQDYYZDFC-UHFFFAOYSA-N 426.225 6.403 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(NCc4ccc(F)cc4)s3)o2)cc1C 23908951 NKZGJDSCYVEMNO-UHFFFAOYSA-N 447.586 5.564 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCc3nc4cc(Cl)ccc4c(=O)[nH]3)s2)cc1 23936419 KFEPQZCIWFEKHZ-UHFFFAOYSA-N 443.985 5.587 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)co2)cc1 25536892 WSVDYJLQYZLUAH-UHFFFAOYSA-N 439.544 5.893 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 35058346 VJOJAZXGERXDRI-UHFFFAOYSA-N 425.919 6.604 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647778 FRAVOLNBFRFKBU-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB FC(F)Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 39929780 SYYYXSMEMGDUPA-UGKGYDQZSA-N 426.850 6.184 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COc2ccc(Cl)cc2C(F)(F)F)cs1 95997452 MTZOYTYDNFWIOW-UHFFFAOYSA-N 426.847 6.079 0 40 IKAB O=C(/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1)c1ccccc1 100930860 QYORWCSPODCLOY-GYHWCHFESA-N 435.346 5.709 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3cc(C)ccc3n2)cc1 101538495 SQINHRUMHNTJQA-KPYOPSEVSA-N 428.576 6.163 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc3ccccc3c2)ccc1C 222770652 ZEAIQQVCNJIWHB-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 223054632 DJKRPYQDMTWURO-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223396048 HFENIQGSSNTFSO-QFIPXVFZSA-N 429.004 5.221 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 223511350 RWHURRRQPJYIOE-OAQYLSRUSA-N 446.591 5.115 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 223769126 KCVQKRIIBICTFV-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223891267 GWESBEIUYWOLMK-RPWUZVMVSA-N 431.609 5.241 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223913501 FOFQVLBEOBHQNC-KRWDZBQOSA-N 449.422 5.603 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224211385 ORSBZLLNHPMNBE-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224243482 MFKKVCDYQGZXER-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 224309664 XNRUCVCGFKXLAB-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 224508832 CNOVVSUZHPZJOJ-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 224645990 UEGFVXMAZSSEII-LGUFXXKBSA-N 445.006 6.183 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 225553587 DUEHQRWVWWOPFC-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)cc1F 225625598 KFSLVIJBEROCBW-UHFFFAOYSA-N 425.367 5.296 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225768845 JLAMBDKVIBJHMZ-DEOSSOPVSA-N 432.589 5.865 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779444 MXSBHAAMAAZBIP-GOSISDBHSA-N 437.967 6.357 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3cccc(F)c3[nH]2)o1 257339456 ZBUYSJSDYMYTSD-OAQYLSRUSA-N 433.483 5.262 0 40 IKAB O=C(CSCC(=O)Nc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1Cl 408586795 QWUREOSBFLSEKV-UHFFFAOYSA-N 438.163 5.611 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1c(F)cccc1Cl 408599645 IPMTYCKJYYLDCN-OCKHKDLRSA-N 449.837 6.254 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)cc2C)cc1 408699622 VHHFHEIIIZSXCE-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)c(=O)c2cc(Cl)ccc21 408712982 FBLMTUMPWWZPST-UHFFFAOYSA-N 430.935 5.517 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 408907447 ODZOBOQHULXPFA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 408977444 DKVMMMAFDJFUAR-DEOSSOPVSA-N 436.577 5.167 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(C)c(C)c2)cc1 409025077 LGAFQQLLAJZNPT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2OC)C1=O 409061764 HSIMKLNOAJHOTI-BOPFTXTBSA-N 434.311 5.097 0 40 IKAB CC(C)Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 409105872 JLUMCWXIQPHWMV-UHFFFAOYSA-N 426.800 6.854 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccc(Cl)cc1 409168919 VGECNMZSASSTGE-FYJGNVAPSA-N 439.298 5.670 0 40 IKAB COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 409173946 PYNZYWXDZJCBSI-BUFOOBCNSA-N 438.571 5.922 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl 409180783 RLXWAMOKHNWNKP-VXLYETTFSA-N 428.941 5.447 0 40 IKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3-c3ccccc3)n2C)cc1 409196877 ZNTAOISKRJCDAF-RQZHXJHFSA-N 428.557 5.869 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(C)c2C)ccc1Cl 409382542 SRIKMPDNMDOJAK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)cc1 409411684 ZDXAKBUXISBGDN-UHFFFAOYSA-N 441.621 7.691 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)N[C@H](CN1CCCC1)c1ccccc1 511528556 IGROQONWSMPBAN-XMMPIXPASA-N 446.526 5.037 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)c(C)cc1Cl 585151732 YGPCGQFWCUSVEW-UHFFFAOYSA-N 429.954 5.429 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)CC1 2037834958 LTKZFPFNWRLOEA-KRWDZBQOSA-N 440.975 5.629 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1C 682427 VOTXVSSJWRKPAK-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB CCc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 928171 RJXQZAWKZVOHND-UHFFFAOYSA-N 441.600 5.798 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1378376 QUSQHZVWNYAPGD-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB O=c1c2ccccc2nc(-c2ccccc2)n1-c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1572106 LUSPTSCBHLRTMH-UHFFFAOYSA-N 434.339 6.090 0 40 IKAB CCc1ccc2oc(-c3ccc(OC)cc3)c(OCC(=O)Nc3ccccc3)c(=O)c2c1 1987745 ZZPAPBLEUQGDGO-UHFFFAOYSA-N 429.472 5.049 0 40 IKAB Cc1c(OCc2ccc(Cl)cc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2119725 DQIOSCJMUZMVMW-UHFFFAOYSA-N 444.870 6.107 0 40 IKAB biogenic Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1C 2122068 HMAHZVUUCUMXBB-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 2161950 CSCBBOQBWAXRMF-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 2400671 OCMDINBGLRIULH-UHFFFAOYSA-N 439.924 5.478 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(OC)cc4)c23)CO1 2404149 SPTHASJSUQSBPB-NRFANRHFSA-N 432.636 5.956 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 2459109 MDCDXJVLKCGNGB-XMMPIXPASA-N 436.964 5.044 0 40 IKAB O=C(COC(=O)Cc1cccc2ccccc12)Nc1ccc(OCc2ccccc2)cc1 2655454 PFYLSMCEAHOSAM-UHFFFAOYSA-N 425.484 5.143 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 2704238 SKBVONNDGGSFKH-QFIPXVFZSA-N 431.875 5.206 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012847 JYGHPBDHKZMLTL-DZGCQCFKSA-N 445.228 5.696 0 40 IKAB O=C(Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl)NC1CCCCC1 3128173 IOJZMZKXQCUBCR-UHFFFAOYSA-N 429.895 6.359 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 3250022 KMMGYJYIGXMSQY-UHFFFAOYSA-N 442.513 5.453 0 40 IKAB COc1ccc(-n2nnnc2[C@@H](CC(C)C)N(Cc2ccccc2)c2ccccc2)cc1 4663583 SAGPCWOSXIWJRQ-RUZDIDTESA-N 427.552 5.465 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(N2C(=O)CCC2=O)cc1 8766677 QPVUHUKRCMCWQS-UHFFFAOYSA-N 446.315 5.023 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 8827467 FRYFFVIUOPXRAU-QFIPXVFZSA-N 444.918 5.889 0 40 IKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 9058967 CQHKEUBTASIISR-UHFFFAOYSA-N 434.879 5.883 0 40 IKAB biogenic COc1ccc([C@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 9216619 HOWCJOXRGAOWTP-XMMPIXPASA-N 426.472 5.060 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(Cl)c2)cc1 9250224 YYZUPIBMQIUGQZ-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB COc1cc(CN(C)C(=O)c2cnc3onc(C(C)C)c3c2)ccc1OCc1ccccc1 9313615 QWZMHFQUTSYKOV-UHFFFAOYSA-N 445.519 5.206 0 40 IKAB CCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2oc3ccccc3c2n1 9479818 BVHIFSGDSOBWQT-UHFFFAOYSA-N 427.913 5.331 0 40 IKAB O=C(O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccncc1 9581160 JSBOZTYVFPAOSN-SFHVURJKSA-N 434.801 5.291 0 40 IKAB C[C@H](NC(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 9849933 HOWHGGJWBVJQGK-NYSBEXSLSA-N 447.000 5.569 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561642 CZEAKZLYHQPZDX-HOFKKMOUSA-N 426.516 5.824 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 12565304 GZXFFNQSLCKXMO-XMMPIXPASA-N 438.310 6.185 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 12593352 JJSQROYQVYRQGC-GFCCVEGCSA-N 441.919 5.976 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)n1C[C@@H]1CCCO1 13145437 GLECJEMZBXEGOZ-QHCPKHFHSA-N 433.504 5.116 0 40 IKAB O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1cccs1 13575203 ZWRVFBCLONJHIQ-SFHVURJKSA-N 438.858 5.471 0 40 IKAB C[P@@](=O)(O)[C@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 13982784 SEXLHAASDZPHOM-DKFQHHCZSA-N 441.823 5.561 0 40 IKAB in-vitro COCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 14607743 XZNHVUCLZKRERE-IWAYRVGRSA-N 444.922 5.050 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)c(Cl)c2)c1 16349122 MYGDZMIPEUVFAK-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB Cc1ccc(C)c(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 17096265 UUUJJTBZFAWJOS-UHFFFAOYSA-N 429.007 7.769 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 17121246 GKSAVCDWVGFNTD-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3cccnc3)C2)o1 19220285 YHIQHOLMQAGTEU-IBGZPJMESA-N 429.520 5.298 0 40 IKAB CC(C)COc1ccccc1CN1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702531 NGUZYUPIUPVIQS-IBGZPJMESA-N 437.609 5.022 0 40 IKAB CCCCCOc1ccc([C@@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19851220 FVWAVGXBYNLLFE-NSOVKSMOSA-N 439.640 5.605 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(N2CCOCC2)cc1 20100725 SKTRAOZWULKIGS-PKNBQFBNSA-N 443.330 5.742 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20105757 FCBKPNMUPQZVNO-SHQCIBLASA-N 442.584 5.268 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1Cl 20451326 BTGGNYZJLBPRHY-UHFFFAOYSA-N 434.923 5.332 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3S2)c1 23193971 GCVJNRLDMWNOIU-AVRWGWEMSA-N 430.573 5.452 0 40 IKAB Cc1ccc(-c2nnc(COC(=O)c3ccc(-c4nnc(-c5ccccc5)o4)cc3)o2)cc1 24523038 MQQLWMYGQSHERG-UHFFFAOYSA-N 438.443 5.119 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc([C@H]3COc4ccccc4O3)cs2)cc1OC 27240931 IRUYHGJHARFZDW-OAQYLSRUSA-N 440.521 5.095 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 27746207 CTGJQIYNYBVAQO-JOCHJYFZSA-N 434.923 5.157 0 40 IKAB COc1cc2sc(NC(=O)COc3ccc(C4CCCCC4)cc3)nc2cc1Cl 32126439 MPGXYQAJTJEIAD-UHFFFAOYSA-N 430.957 6.024 0 40 IKAB Cc1cc([C@H]2CCCN2C(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)on1 32933125 WLUNJBNLXIYGIC-QGZVFWFLSA-N 426.929 5.323 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3c(C)cc(C)cc3C)c3ccccc3n2)cc1 32985618 SFKYKRWDLZKIAY-UHFFFAOYSA-N 426.516 5.853 0 40 IKAB C[C@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 40088625 KPBZRCJKPDSJET-INIZCTEOSA-N 428.939 5.227 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)Nc2c(Cl)cccc23)cc1 49947067 FIUSKSPXUZPKFQ-RUZDIDTESA-N 431.923 5.560 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H]3c3nc4ccccc4s3)cc2)cc1 58169679 VJLXNBPWOCOYHR-HSZRJFAPSA-N 443.572 5.894 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 67245459 HHWJRWXPCHUROO-UHFFFAOYSA-N 445.931 6.083 0 40 IKAB CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@@H]3CCCC[C@@H]3C)ccc21 72290495 CJPBPRIWHWWCBE-RXFWQSSRSA-N 445.607 5.421 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cc1 72356187 VLIUKKDMVNXLCI-HSZRJFAPSA-N 445.538 5.098 0 40 IKAB CC(C)c1cc(Br)c2oc(-c3ccc(Cl)cc3Br)nc2c1 73638156 AKGBOMJZWFDMSV-UHFFFAOYSA-N 429.539 6.797 0 40 IKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 102289743 NUVFRMMLYRCXNV-MELADBBJSA-N 428.941 5.175 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102643674 QENWBJAXORFUJO-DRMAHVMPSA-N 439.386 6.763 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccccc2)C1 102667108 AGNJPSRFCATBJL-CWTRNNRKSA-N 446.379 5.640 0 40 IKAB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102737090 ZVBJMQNTKVGGNM-ZONZVBGPSA-N 448.522 5.453 0 40 IKAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1ccc2ccccc2c1 107811414 MCRNLLZNAXOEMF-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc12 214805697 IFRVXVYUXYZECF-RGVLZGJSSA-N 444.339 6.392 0 40 IKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)cc(C)c1Br 218842259 LHGIRKJSWUUOMC-UHFFFAOYSA-N 438.321 5.314 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222910690 ODQSOEQUYQRMAL-RTWAWAEBSA-N 428.964 5.293 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 223077495 KRVSCZGWGOFGGQ-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 223140503 RKJIWAWDFHULCV-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl 223364939 MGRQTPPWZXTVQL-PKTZIBPZSA-N 449.963 6.069 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223372405 LRQADXWTFLIYQY-CYFREDJKSA-N 425.613 6.459 0 40 IKAB Cc1ccc(OCCNC(=O)COc2ccc3ccccc3c2Br)cc1Cl 224155017 ARMONSXMWOCOFG-UHFFFAOYSA-N 448.744 5.138 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224614265 OZIRUTBVIFVJFS-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 224632473 AXHFXCUOFGBSBT-HSZRJFAPSA-N 426.626 5.057 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225128430 XEVIDCLSNYBAHQ-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 225197688 KQXDWNFPDIIIFJ-RTBURBONSA-N 445.003 5.174 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225226537 PGDYSRYSTSBZCW-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225494299 MXGWPNLOFTWXEL-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 225528396 IORRVYUIEYFAQU-URXFXBBRSA-N 440.653 5.259 0 40 IKAB C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2cccc(C)c2)cc1 225542074 MMFTXDWSONMVKK-UHFFFAOYSA-N 449.579 6.625 0 40 IKAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)c(C)c1 225688249 ZESRDPTVLHTGNR-IBGZPJMESA-N 434.627 5.049 0 40 IKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)c1 225846102 RSKWMYVHSXYFFH-UHFFFAOYSA-N 443.332 6.224 0 40 IKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@]5(CN(C)C6(CCN(C)CC6)O5)[C@@]4(C)CC[C@H]32)C1 252695337 YKZPJVAZIXEHHB-IWQSBPKASA-N 442.688 5.087 0 40 IKAB biogenic COc1c(C)cccc1C(=O)N1CC[C@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 257322030 WEHXMKFFNSCHTN-SFHVURJKSA-N 436.581 5.154 0 40 IKAB CC(C)[C@H]1CC2(CCN(C(=O)CCCc3cn[nH]c3)CC2)CO[C@@H]1c1ccccc1Cl 257334911 YHVNJEHCBVCFRH-ZJSXRUAMSA-N 444.019 5.428 0 40 IKAB C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257344280 ZWKKUGOVFXERJI-ZDXQCDESSA-N 433.926 6.276 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@H]21 408541635 COGSWSAWRYPUAH-AEFFLSMTSA-N 430.392 5.543 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(C(C)C)cc2)ccc1NC(=O)c1ccc(Cl)cc1 408608844 PYVACWSICBTFEH-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1 408699697 VSQAMXYRXKABKC-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1Cl 409115345 IUAMEZMMMONWKX-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 409166659 DTBXTHDDOKHKAR-UHFFFAOYSA-N 433.533 5.656 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)c(C)c1 409374059 JURZADNXNBFNCF-RGVLZGJSSA-N 433.533 5.077 0 40 IKAB Cc1cc(C)c(CNc2ccccc2CN2CCC(CO)CC2)c(OCc2ccccc2)n1 569408005 YMEYCJDFZKOVQM-UHFFFAOYSA-N 445.607 5.094 0 40 IKAB Cc1ccc(C(=O)n2nc(Nc3ccc(Cl)cc3)cc2Nc2ccc(Cl)cc2)cc1 575443673 YATZVKKFLKSMNC-UHFFFAOYSA-N 437.330 6.674 0 40 IKAB COc1ccccc1-c1cc(-c2ccc(C)cc2OCC(=O)O)nn1Cc1ccccc1 585265213 ZBEDVENVANKVAL-UHFFFAOYSA-N 428.488 5.046 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 646949 LJUPEZOJSBKFTP-IEBWSBKVSA-N 448.876 5.469 0 40 IKAB O=C(/C=C/c1ccc(OCc2ccc(Br)cc2)cc1)NCc1cccs1 1383695 RGGUXTAIIQPDLL-KPKJPENVSA-N 428.351 5.419 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3cccc(Cl)c3)cc12 1895855 WIHIVCBGIQKMDG-UHFFFAOYSA-N 436.891 6.518 0 40 IKAB biogenic COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)c1 2079597 HFUICKPARPHPNR-UHFFFAOYSA-N 431.875 5.604 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2094835 YWPMKDSYIZMKEC-HXUWFJFHSA-N 426.567 5.327 0 40 IKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Oc3ccccc3)cc2)cs1 2230360 UWWGQZLFVIQQRH-UHFFFAOYSA-N 431.900 7.029 0 40 IKAB O=c1c2sccc2nc(SCc2ccccc2Cl)n1Cc1ccc2c(c1)OCO2 2909047 AJOKRSPFKJRBLV-UHFFFAOYSA-N 442.949 5.181 0 40 IKAB COCCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 3236904 YNJIOCIGYKSUAM-UHFFFAOYSA-N 444.604 5.026 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1 3302959 JIKVTHBREDVVPM-UHFFFAOYSA-N 432.373 5.384 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccc(F)cc1 3655383 WPMJKNIGAJKUIZ-UHFFFAOYSA-N 438.252 5.818 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4cccc(F)c4)ncnc32)cc1 3658762 MEYMQPAQJDQICL-UHFFFAOYSA-N 441.531 6.528 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3C)C3CCCC3)cc2c1 6134991 BBBFLKYTNGKPJU-UHFFFAOYSA-N 433.621 5.849 0 40 IKAB O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Br)cc3)sc2n1 6143841 RQQRXUZARZUAQE-UHFFFAOYSA-N 437.318 5.523 0 40 IKAB Clc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)cc1 6474885 ZOEDBBRNBWTLSD-UHFFFAOYSA-N 442.371 6.445 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](NCc2ccccc2CN2CCCC2)c2ccccc2)c1 8229978 AEOGLKNZFRDJHL-HHHXNRCGSA-N 427.592 5.369 0 40 IKAB CC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)O[C@H]2c2ccccc2)cc1 8452106 MZFOUAQJNBRGEQ-PMERELPUSA-N 445.518 6.520 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1Cl 8749345 QBPBTCBERCAIJD-JOCHJYFZSA-N 440.952 5.779 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 8860232 FAOGZFXHDBBIPN-HXUWFJFHSA-N 432.995 7.119 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8868725 BVIIFFXUYORJFK-QHCPKHFHSA-N 429.472 5.229 0 40 IKAB COc1ccc(C2=NN(C(=O)CNc3cccc4ccccc34)[C@H](c3ccco3)C2)cc1 9130819 YUJFUJHGILTIKF-DEOSSOPVSA-N 425.488 5.231 0 40 IKAB Cc1ccc2sc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)nc2c1C 9345474 MYYNVLAUHFFFLB-UHFFFAOYSA-N 441.600 5.394 0 40 IKAB COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc3ccccc3c2)cc1 9359679 IJLFMAADIUHJLK-UHFFFAOYSA-N 437.499 5.529 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc(Cl)cc(Cl)c1 9446345 VGSBNPUQPICQBS-UHFFFAOYSA-N 439.125 6.784 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc2S1 9495550 GNIHEJJHOLKQCQ-AWEZNQCLSA-N 442.635 5.351 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1 9599158 WQKFBVNAAZZYMZ-UHFFFAOYSA-N 443.975 6.103 0 40 IKAB COc1cccc([C@@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)c1OC 9669877 OUDHKZZHBAFICT-HXUWFJFHSA-N 436.458 5.025 0 40 IKAB CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2c(F)cc(F)cc23)cc1 9676133 LUOLVFPYOSABGR-UHFFFAOYSA-N 435.861 6.571 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 9724048 TWRNYSADMOKXEC-HZPDHXFCSA-N 442.560 5.540 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 9763626 GMMKWRCSTYNVQN-UHFFFAOYSA-N 438.955 6.026 0 40 IKAB O=Cc1cc(Br)c(OCc2ccc(Br)cc2)c(Br)c1 9934641 BOCWIGTUFACEKL-UHFFFAOYSA-N 448.936 5.366 0 40 IKAB Clc1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nnc1N1CCCC1 10036636 XSDCFHDAWZAUBR-UHFFFAOYSA-N 427.917 5.061 0 40 IKAB CCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn23)cc1 10119204 NNVKYPOQTXOPAL-UHFFFAOYSA-N 432.907 5.652 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(OC(C)C)c3)c2C)cc1 10314519 OMUMROUWQJUKPO-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 10442139 BORRNARUNIGTFD-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 10992557 LORBDTGWKMYJCU-UHFFFAOYSA-N 427.504 5.000 0 40 IKAB FC(F)Oc1ccc(-c2cc(C(F)(F)F)c3sc(N4CCCCC4)nc3n2)cc1 12547036 CDKVBRJHWCTROK-UHFFFAOYSA-N 429.414 5.969 0 40 IKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1Cl 12547271 NFMOZXUGUGLRGH-KRWDZBQOSA-N 437.927 5.633 0 40 IKAB Clc1cc(CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc2c1OCCO2 12558511 OKLIMWPJXANNNP-UHFFFAOYSA-N 436.924 5.046 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@H]3CCCO3)ccc2OC)cc1 12589506 NEDNYNUSXNGYKK-OAQYLSRUSA-N 449.572 5.894 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1 12644247 YNRRCKKSFXMXQB-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1SCc1ccco1 12793295 NLHPRLHPJXDUOD-UHFFFAOYSA-N 426.925 5.604 0 40 IKAB O=C(COc1ccc(Br)cc1F)N[C@@H](c1ccc(F)cc1)c1cccs1 12981717 GAHVOYLXKPXALU-IBGZPJMESA-N 438.293 5.073 0 40 IKAB CNC(=O)c1cccc(NC(=O)CSCc2csc(-c3ccc(C(C)C)cc3)n2)c1 12983253 SAXSLAJZHWMZIX-UHFFFAOYSA-N 439.606 5.165 0 40 IKAB O=C(O)c1sc2cccc(F)c2c1CSc1nc(COc2ccc(Cl)cc2)n[nH]1 12997731 AIRVLRRPKLFBDF-UHFFFAOYSA-N 449.916 5.381 0 40 IKAB O=C(Nn1c(Cc2cccs2)nc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 13084202 BIKMFASISDDQNU-UHFFFAOYSA-N 437.524 5.100 0 40 IKAB Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C 13800925 YSRJNBIZEHMUJG-RDGATRHJSA-N 429.907 5.021 0 40 IKAB CCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl 13955252 RYOBTVNMMDLBPO-UHFFFAOYSA-N 428.735 5.010 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992105 ANHFXSGGXQWTSS-UHFFFAOYSA-N 431.517 6.478 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc(Cl)c1O 15946254 PGDJIJHLTGKWCX-XCLFUZPHSA-N 449.016 6.476 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)COc1ccccc1C(C)C 15950175 RFCZAJUCBGETGM-UHFFFAOYSA-N 448.519 5.097 0 40 IKAB Fc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1Cl 16524027 SGYWIUSOLVZJSR-UHFFFAOYSA-N 443.736 7.404 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1F 17099401 MKAALCBFIROQHW-SOFGYWHQSA-N 435.307 5.919 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1cccc2c(Br)cccc12 19629997 XIGBYJZAZGNHFA-UHFFFAOYSA-N 439.534 6.271 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)cc1 19690708 KWNOOSZQJJCUKD-JOCHJYFZSA-N 432.568 5.074 0 40 IKAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)N2Cc2ccc3ncccc3c2)N1 19713890 AVYOZBNFVOQQIL-YTFSRNRJSA-N 439.481 5.238 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 19926957 TZMAXQNAFUBUFQ-XMMPIXPASA-N 437.517 5.283 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20036400 SVXXZJGBPUKNEG-AREMUKBSSA-N 443.587 6.628 0 40 IKAB Cc1ccc(CN2C(=O)[C@]3(SCC(=O)N3c3cccc(Cl)c3)c3ccccc32)cc1 20573801 HZZWAUCISITDMW-XMMPIXPASA-N 434.948 5.128 0 40 IKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)cc1 20895116 NOEMXUDAOFZIDY-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1cccs1 22542841 HRGKYWXXRGBIRP-AUSIDOKSSA-N 426.607 5.406 0 40 IKAB O=C(Nc1cccc(CNC[C@@H](c2ccco2)N2CCCCC2)c1)c1ccccc1Cl 22912358 DCYYNEUBJGBUKC-QHCPKHFHSA-N 437.971 5.502 0 40 IKAB CCCOc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)cc1 28226582 UEACRFCLRNKYTH-UHFFFAOYSA-N 442.357 5.352 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 35550808 GZYVZMWMBUTUMQ-XWESNNAXSA-N 431.356 5.308 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 48326720 OORQAYDICWNNGN-QHCPKHFHSA-N 440.528 5.516 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ccc(Cn4cccn4)cc3)cnc21 48353741 UVVVHPNSLGKOGZ-UHFFFAOYSA-N 436.519 5.176 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC[C@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 56945663 UXNOJJHAQUOSBT-XMMPIXPASA-N 449.570 5.010 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCc4cc(OC(F)(F)F)ccc43)cc2)n1 58413565 RQQGLAVQRLLLRL-UHFFFAOYSA-N 429.442 5.040 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1cccc(C)c1 59195184 GFZWSMLGDLKASM-MTJSOVHGSA-N 433.891 5.581 0 40 IKAB COCCn1c(SCc2cccc(C(=O)N3CCCCC3)c2)nc2cc(Cl)ccc21 69948872 LKHFJGBXHOHLSS-UHFFFAOYSA-N 444.000 5.255 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(Cc2cccc(C)n2)CC1 72345177 MBRUZKVLLJLVEN-UHFFFAOYSA-N 433.621 5.080 0 40 IKAB COc1cc(Br)c(NC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)cc1OC 84718142 AUASKKNSDJZTJV-GFCCVEGCSA-N 444.329 5.099 0 40 IKAB CC(C)(C)[C@H]1C/C(=C/c2ccc(Cl)c(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 96399886 DKMYIVARJYEHKS-IZNAZMGOSA-N 440.370 7.389 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1cccs1 101011777 XTMPXFLWMGGQHE-GOSISDBHSA-N 433.924 5.301 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O 101128603 LNTRJTHXPKASLK-SDHOMARFSA-N 440.543 5.344 0 40 IKAB COc1ccc(OC)c([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102675554 JSGXHINLAZTFER-JOCHJYFZSA-N 448.548 5.259 0 40 IKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 102720322 OCXXIVZWHUWTGY-UPCLLVRISA-N 446.503 5.617 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3cccnc3)C2=C(O)C1 103869295 CRLAUYJCZQHXHD-HHHXNRCGSA-N 437.543 6.117 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2OC)cc(Cl)c1OCc1ccc(C)cc1 110223239 UJZSVXDLMFYTDI-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCCOc3ccccc3)C2=O)c1 214638619 ZAOHYCDCNVYNSI-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222825407 STJSYAHJSNUCMQ-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223092187 ZNERNCDMUFBZRP-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223904726 RGEONJKIYUGPHT-JWQCQUIFSA-N 439.588 5.115 0 40 IKAB Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 223945477 JFUQDGWRSJBCOK-UHFFFAOYSA-N 430.614 5.357 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1Cl 224184863 FLGQOQSXUBZRHB-RPWUZVMVSA-N 445.975 6.481 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)o2)c(OC)c1 224932478 YDPRNIJXYWHYLD-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)c(C)c1 225089025 GMGJYJXEIRGLDV-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225381833 ZUQLOUVJQMAXOD-RPWUZVMVSA-N 432.593 5.402 0 40 IKAB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)CC1 225516424 LRAHBFKHZGRDBQ-UHFFFAOYSA-N 438.587 5.777 0 40 IKAB Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1Cc1ccccc1 225542845 IOSBIXIMGZGQFX-UHFFFAOYSA-N 437.568 6.041 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1NC(=O)C(C)C 225745413 NASIINUWPIDGQS-UHFFFAOYSA-N 433.382 5.111 0 40 IKAB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)O[C@H]1CCC[C@H](C)C1 226358130 DONFBPZWLZLMAR-HOCLYGCPSA-N 426.896 5.858 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2[C@H]3CCCC[C@H]23)CC1 257224191 FARSPDJXZDKQLL-DQEYMECFSA-N 444.619 5.029 0 40 IKAB CC(C)c1ccc(OCC(=O)N(CCc2ccccc2)Cc2ccccc2)c(C(=O)O)c1 257226995 FNEBBRACUQGPFO-UHFFFAOYSA-N 431.532 5.159 0 40 IKAB O=C(O)c1cccc(Cl)c1OCC(=O)N(Cc1ccccc1)Cc1ccc(Cl)cc1 257259707 KZPUYRMLBVJZSK-UHFFFAOYSA-N 444.314 5.299 0 40 IKAB O=C1CS[C@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1c1ccc(Cl)cc1 408553745 BOWWNSNGRBXTEI-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c(OC)c1 408635366 ACFULAODCUAKOK-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408662897 MXMKHUJDVKDLOF-HNNXBMFYSA-N 430.342 5.095 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1C 408696813 CCHJISTXLPXHRL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(Cl)cc2)c1 408699193 SCTMSQGXQNMSLA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)c2)CC1 408701812 GDZXWHDRSMXKKN-UHFFFAOYSA-N 434.989 5.136 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1Cl 408729394 ZJBAHPKRBAEZTJ-XWYWGPMTSA-N 427.931 5.393 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccc(C)cc1 409237026 UYCRSKABPJXOFG-FYJGNVAPSA-N 448.906 5.333 0 40 IKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)cc1Cl 409254754 IOHDUUAGGJIYLE-UHFFFAOYSA-N 441.314 6.287 0 40 IKAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(F)cc2)c1 606422427 CHDMJPWHROQMMD-UHFFFAOYSA-N 429.495 5.397 0 40 IKAB O=C(O)/C=C/c1ccc(CN2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc1 2037873444 KXJWZYJNVHFYJR-HRBBJJPOSA-N 436.939 5.744 0 40 IKAB COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1NC(=O)c1cc2ccccc2o1 678000 HZGZNMUWQJICFP-UHFFFAOYSA-N 444.487 5.328 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(I)cc1 830164 XHGVHEAWKFZYJO-UHFFFAOYSA-N 426.468 5.504 0 40 IKAB Cc1ccc(-c2nnc(Oc3cc4sc(C)nc4c4sccc34)c3ccccc23)cc1 1895530 PDLATMKMUXTRQE-UHFFFAOYSA-N 439.565 7.530 0 40 IKAB Oc1c(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)ccc2ccccc12 1900713 SWDSYIJIAPJGOL-UHFFFAOYSA-N 426.313 7.190 0 40 IKAB CCOC(=O)c1[nH]c2ccc(Cl)cc2c1NC(=O)Nc1ccc(Cl)c(Cl)c1 2308158 YNYHJGJGVSAPEO-UHFFFAOYSA-N 426.687 5.949 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 2361555 CPMJXRVCQHLCBV-UHFFFAOYSA-N 428.623 5.640 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)Nc1ccc(OC(F)F)cc1 2629459 RMCNBGGOSAPGMV-UHFFFAOYSA-N 440.277 5.709 0 40 IKAB Cc1ccc(CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 2721762 BGHAPNNYSCDJAO-UHFFFAOYSA-N 445.562 5.976 0 40 IKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2768846 BMRBVXMGKOGEHJ-UHFFFAOYSA-N 447.272 5.571 0 40 IKAB O=C(CNc1ccccc1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2887740 GEMPSZZBABOVCO-UHFFFAOYSA-N 425.863 5.457 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cc3ccccc3cc2OC)c2ccccc2)c1 3244227 VTIHWPIWRXROGL-VWLOTQADSA-N 441.483 5.394 0 40 IKAB C[C@@H](NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)c1ccccc1 3244720 JBKHYHCTFXALFD-UYAOXDASSA-N 444.575 5.420 0 40 IKAB COc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(N2CCCCCC2)o1 3278292 PXOSVOAIAQGZDG-UHFFFAOYSA-N 446.956 5.217 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)s1 3290517 QYGNIAQRHABFFH-UHFFFAOYSA-N 438.500 5.648 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3343758 DOQSWLOMFHBCBW-XMMPIXPASA-N 438.310 6.185 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3411865 QNJHKMFWSYHZFF-HUUCEWRRSA-N 442.968 5.563 0 40 IKAB O=c1c2ccc(Cl)cc2nc(SCc2cccc(C(F)(F)F)c2)n1C1CCCC1 3449300 FYUSBGVZNHWIEA-UHFFFAOYSA-N 438.902 6.476 0 40 IKAB CCCCc1nc2sc3c(NC[C@@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 4825548 XRQCSWFGFUTJBS-AWEZNQCLSA-N 426.586 5.024 0 40 IKAB CC(C)(C)c1ccc(C(=O)O[C@@H](c2ccc3c(c2)OCO3)c2nccc3ccccc23)cc1 6144150 MAIXTLCTHSSOGL-SANMLTNESA-N 439.511 6.207 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(F)cc2)c1C 6146580 PJLGFFDDLJGVIV-UHFFFAOYSA-N 426.513 5.112 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc12 6860497 OIQCZFBOQFETTC-UHFFFAOYSA-N 447.991 6.552 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 8657315 USWNWCSFKVIISV-NRFANRHFSA-N 425.532 5.231 0 40 IKAB CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 8667844 HVWLSUOIMGPNOV-XMMPIXPASA-N 445.434 7.144 0 40 IKAB COc1cc(/C=C2\SC(=N)N(c3ccccc3C(F)(F)F)C2=O)cc(Cl)c1O 8721664 BNDDRKNQSGJEDM-YXZMWACZSA-N 428.819 5.129 0 40 IKAB Cc1ccc2c(-c3oc4ccccc4c3NC(=O)c3ccc4c(c3)OCO4)cc(=O)oc2c1 8764396 JREPBIJLUXTRGX-UHFFFAOYSA-N 439.423 5.496 0 40 IKAB biogenic Fc1ccc(Cn2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 8857178 JCRGKNZROKYIAK-UHFFFAOYSA-N 427.306 6.623 0 40 IKAB Cc1cccc(OCCCOc2ccc(C)cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 8915992 NWSZMVZJOZQVSP-HKOYGPOVSA-N 427.500 5.496 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c23)C1 8951502 DEMPSQHHCGMRJY-ZDUSSCGKSA-N 446.041 6.053 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 9329505 WBSDDSWVVJGBOA-DTQAZKPQSA-N 435.462 5.249 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c(C)n1Cc1ccco1 9566738 HKNVFYGAFHVGDS-UHFFFAOYSA-N 438.553 5.229 0 40 IKAB Cc1ccc(-c2csc3nc(CSc4nnc(C5CCCCC5)o4)[nH]c(=O)c23)s1 9614097 NEAVCQJMKHTTGZ-UHFFFAOYSA-N 444.607 5.745 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 9675982 VKQMPURJRZHJEA-UHFFFAOYSA-N 435.571 7.245 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccccc1Br 9708226 HQUAFRKMXARAKD-IBGZPJMESA-N 427.367 5.044 0 40 IKAB CCCCc1ccc(C(=O)NCCc2sc3nc(-c4ccc(F)cc4)nn3c2C)cc1 9808983 PUYYZWVGEYSXNQ-UHFFFAOYSA-N 436.556 5.220 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2ccccc2c1 9814742 CXWAUJUYXSOEHA-HNNXBMFYSA-N 434.590 5.464 0 40 IKAB Cc1ccc(-c2noc(-c3cn(Cc4cc(C)ccc4C)c4ccc(C)cc4c3=O)n2)cc1 9940957 NFUDXGZWWBYIAY-UHFFFAOYSA-N 435.527 6.000 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cc1OC 11181396 QMDBNBLYAKFYGH-UHFFFAOYSA-N 428.872 5.235 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc3c(c2)OCO3)c(C(C)(C)CC)c1 12568268 ZESIBZZZZQAKKN-UHFFFAOYSA-N 439.596 6.588 0 40 IKAB COc1cc(-c2cc(C(=O)NC3CCCCCC3)c3ccccc3n2)cc(OC)c1OC 12583789 RRFOKNQUPLSCQV-UHFFFAOYSA-N 434.536 5.380 0 40 IKAB COc1ccc(-c2cc(COC(=O)C3c4ccccc4Oc4ccccc43)no2)cc1OC 12726872 JNARXXLPUAUFEE-UHFFFAOYSA-N 443.455 5.340 0 40 IKAB Cc1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 12803356 AVPIZWUSMODFHM-VWLOTQADSA-N 447.604 5.047 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2ccccc2o1 13098461 GKKPAOLJKPYGGD-UHFFFAOYSA-N 438.530 5.464 0 40 IKAB Cc1csc(N(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c2ccccc2)n1 13098494 NYDUDBBCFSZAGM-UHFFFAOYSA-N 428.435 6.709 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 13141877 UOXNLMOECDGFKF-UHFFFAOYSA-N 429.954 5.952 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628064 MDBINGVOZJJSCT-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB COc1cc(CCC(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)on1 13693126 CDTOFMPHXKSBRH-UHFFFAOYSA-N 438.867 5.194 0 40 IKAB biogenic O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 13940383 USYJKVNHOFDTJT-HBSZIVNGSA-N 426.947 6.777 0 40 IKAB O=C(Nc1ccccc1F)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992108 VUYOXEHQYJAFFO-UHFFFAOYSA-N 431.517 6.478 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nc12 14270811 IZHSDLSYUPTZFS-UHFFFAOYSA-N 441.965 5.953 0 40 IKAB CC(=O)c1sc(NC(=O)c2cccc(OCc3c(C)noc3C)c2)nc1-c1ccccc1 14657414 DXYYKYQCBZACCT-UHFFFAOYSA-N 447.516 5.449 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OC)c(Br)c3)cc2s1 16637228 RMGKULCLLROKBS-UHFFFAOYSA-N 448.342 5.058 0 40 IKAB CCOc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccccc1F 16688735 NHJZGNBJJRRONG-UHFFFAOYSA-N 445.332 5.251 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)cc3F)o2)cc1Cl 17098205 GDXCZAONCDVXEX-RMKNXTFCSA-N 432.879 5.713 0 40 IKAB OC1=NC(=S)S/C1=C/C1=C(c2ccccc2)Oc2ccccc2[C@@H]1c1ccccc1 17162481 SRJBWPHRVUAJIX-VAZXNAHHSA-N 427.550 6.494 0 40 IKAB CCOc1cc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)ccc1OC 19531968 DWZPCKDIPKAXEQ-INIZCTEOSA-N 449.473 5.337 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20141253 XXHWLKFTMGPSON-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(CC)cc2)cc1 20970014 YAZSEHOZMVRDDE-AREMUKBSSA-N 436.559 6.089 0 40 IKAB Cc1ccc(CCC2CCN(C(=O)[C@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 21128980 ZYLVASJUXOTJBW-DEOSSOPVSA-N 433.596 5.110 0 40 IKAB CCN(C(=O)COc1cccc(C)c1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991093 COTGCFCWWYOCDB-MHZLTWQESA-N 428.532 5.502 0 40 IKAB O=C(Nc1ccccc1F)c1nc(SCc2ccccc2F)ncc1Br 28293320 KUEYNZRQXICQEX-UHFFFAOYSA-N 436.281 5.062 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 33769594 ILOQUDIRXVTVCW-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB CCCCOc1ccc(/C=C2/C(=O)N(c3cc(Cl)ccc3C)C(=O)N=C2O)cc1OC 34835441 WLPNJAVLGHRFAB-GZTJUZNOSA-N 442.899 5.343 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC(c4nc5ccccc5o4)CC3)c12 40020194 IIBSEZQOZDWRPF-UHFFFAOYSA-N 444.516 5.421 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 40159127 UTZVOWUVFPEZLH-GOSISDBHSA-N 446.576 5.577 0 40 IKAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)cccc2n1 57315595 RORMVDAUYUQZJC-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1cccc(Cn2c(SCc3ccccc3)nc3c(oc4ccccc43)c2=O)c1 67259821 YWFSFEKTAPVVRG-UHFFFAOYSA-N 428.513 5.492 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CCCC1 72215649 NHEHBBNTMXMKSA-XMMPIXPASA-N 435.612 6.493 0 40 IKAB CC(C)CCC(=O)Nc1cc(C(F)(F)F)ccc1C1CCN(C(=O)CCC(C)C)CC1 72307946 UWLJICCKLFSWDV-UHFFFAOYSA-N 440.550 6.222 0 40 IKAB O=C(N[C@H](C(=O)O)c1ccccc1C(F)(F)F)OCC1c2ccccc2-c2ccccc21 95748955 DMTFGKGIANTPRI-NRFANRHFSA-N 441.405 5.370 0 40 IKAB COc1ccc(CCC(=O)NCc2ccccc2-c2ccsc2)cc1Br 96122909 HRWVSWIQCGELSR-UHFFFAOYSA-N 430.367 5.435 0 40 IKAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)cc1 100743634 CMHMPSUASFNVNT-RCZSKKKRSA-N 432.568 5.251 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207014207 MTTSSBLKPWUHEI-HNNXBMFYSA-N 445.972 5.090 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3F)C2=O)c1 214588435 IPQDMDDXCOQBTG-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)c(C(F)(F)F)c1 219457759 ADPHKJJPLOQNRN-UHFFFAOYSA-N 432.829 5.891 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223795711 DZOIIIGGIUQXIK-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223902826 KCMQNFWEVAVIAL-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224030533 IAKNCTCJBSTEMD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1ccccc1C(C)C 224233666 FDWCOOFACNYWOX-UHFFFAOYSA-N 444.575 5.360 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)c(OC)cc1Cl 224331487 XALFOBCIZJLGJK-UHFFFAOYSA-N 443.952 5.910 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 224725963 RMRYRIXNAAMJBH-ZEQRLZLVSA-N 443.528 5.653 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1 224818582 XAGOBVQDQCJLGK-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225051476 LBENKSXWOSFLIC-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225129949 FPKXBKMRBWEUIL-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225134890 VLCZZUAXNFLQTQ-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(C(=O)O)o3)c2)cc1 226355614 GXOCTJIDKMVDDF-UHFFFAOYSA-N 442.924 5.548 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 257332745 XYMLOJHRWYZXQU-HXUWFJFHSA-N 429.589 5.577 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 408693167 FMZWUWNDMKNXMJ-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB O=C(O)[C@@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 408874019 YRASXNPWQRSFCJ-HNNXBMFYSA-N 445.711 5.527 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(CCOc3ccc(OC)cc3)c3ccccc23)C1=O 409132923 PIVNTRQMYRXAEV-JCMHNJIXSA-N 436.533 5.175 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409234338 VQTUYIVTYWKDAL-LICLKQGHSA-N 440.323 6.158 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409257832 QMJDPGBQLNWLMZ-DEOSSOPVSA-N 438.499 5.034 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1c(F)cccc1Cl 409409312 HGXCZGFMXJABFL-UHFFFAOYSA-N 446.012 6.952 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 783416 AEYDEYBZRUXYPH-UHFFFAOYSA-N 436.364 5.090 0 40 IKAB COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3ccncc3)n2)c1 881061 REPITJQOOXTIDM-UHFFFAOYSA-N 445.544 5.112 0 40 IKAB Cc1ccc(NCc2nnc(SCc3ccccc3)n2C[C@H]2CCCO2)cc1Cl 915563 KZSRCZLAUGUAEV-LJQANCHMSA-N 428.989 5.323 0 40 IKAB Cc1cccc(Oc2coc3cc(O[C@@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 942711 IHVVQLFDHFQSAG-SFHVURJKSA-N 430.456 5.404 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(/C=C3/SC(=O)N(C(C)C)C3=O)c3ccccc32)cc1 981502 LEYYEEHNZVEZQH-CIAFOILYSA-N 433.533 5.033 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 1016907 HSFZQAHEJIWXRP-QFIPXVFZSA-N 446.963 5.686 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 1369040 INPCWVIZDHNUGY-RTBURBONSA-N 435.465 5.552 0 40 IKAB CCOC(=O)N1CCc2cc(OC)c(O)cc2[C@@H]1Cc1ccc(OCc2ccccc2)cc1 2030625 YYQLMWGRPLCJFW-DEOSSOPVSA-N 447.531 5.278 0 40 IKAB biogenic COCCCNC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cc(C)cc12 2079789 BCUIZFXWJHNWLB-UHFFFAOYSA-N 427.342 5.047 0 40 IKAB Cc1cc(Br)ccc1-n1c(-c2ccc(Cl)cc2)nc2nc3ccccc3nc21 2225111 HQGLDGVTJBZTHT-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB CC(C)c1ccc(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)cc1 3225262 YIQYPRCOIJQGJL-UHFFFAOYSA-N 430.715 5.331 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1OCc1ccc(Cl)cc1 3342418 KGTQQQQCVAPELW-UHFFFAOYSA-N 427.931 6.762 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@H](C)N1CCCc2ccccc21 3449023 UGAZWQRIGWSRKF-KRWDZBQOSA-N 434.561 5.372 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 3671221 JJSCNOOZMWTWQB-ULJHMMPZSA-N 439.511 5.856 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 6195444 LVPDZFZKCDVBLL-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 6924783 DTVSMDFQBZCGPS-UHFFFAOYSA-N 432.520 5.847 0 40 IKAB COc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 6973807 JQCYCSATFOYJGG-UHFFFAOYSA-N 445.466 5.000 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 7543384 DSZVPFKPPARSLG-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 8383387 ZDGSCUDPVLUQAN-UHFFFAOYSA-N 426.310 5.436 0 40 IKAB COc1ccc(-c2cc(-c3cccs3)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1 8448457 AKEGIHNTIKTYKA-UHFFFAOYSA-N 442.565 6.514 0 40 IKAB COc1ccc(-c2c3c(nc4sc(C(=O)c5ccc(C)cc5)c(N)c24)CCCC3)cc1 8451201 BXQIXRUCMYMKLZ-UHFFFAOYSA-N 428.557 5.972 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1Cl 8832157 GECMUKBCHXRSEI-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccc(F)cc2)ncc1Cl 8916174 DDIDUPCXPDRVHX-UHFFFAOYSA-N 441.837 5.833 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1c(Cl)cccc1Cl 8984005 HDLFXLZIZNCECT-FNORWQNLSA-N 435.203 6.363 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250372 MDBXFBYWJXPCHP-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1 9413828 HZLQMZXKVPHANR-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)sc2c1 9487375 SUYWZCDELFKWRK-FQEVSTJZSA-N 444.468 5.144 0 40 IKAB O=C(CSc1nncn1-c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 9507627 DDSNRZPZQMBUNK-UHFFFAOYSA-N 436.924 5.444 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c1 9752386 OSDILNYAIGQSRJ-UHFFFAOYSA-N 433.533 5.297 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccccc4Br)cc3)oc2cc1C 10120305 AZMGQIUGELCZHU-UHFFFAOYSA-N 435.321 5.804 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 12447580 UYSCUCREJHMFBD-DEOSSOPVSA-N 439.433 5.021 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1C1CCCCC1)Nc1ccccc1Cl 12493852 MDUNVTGKMNENBU-UHFFFAOYSA-N 441.000 5.758 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCc1nc2ccccc2[nH]1 12546579 FUHMCZGPRLPAPF-UHFFFAOYSA-N 427.891 6.097 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(COc2ccccc2Cl)o1 12676437 DOBHVEXLRNGEGN-CYBMUJFWSA-N 427.913 5.455 0 40 IKAB C[C@H]1c2ccsc2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 12811131 QTTPWWJIAHPULC-LBPRGKRZSA-N 427.982 5.486 0 40 IKAB Cc1cc(NC(=O)c2cccc(NCCc3ccccc3)n2)n(-c2ccc(Cl)cc2)n1 13015782 ZFNAIPHHUCKSIM-UHFFFAOYSA-N 431.927 5.136 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 13017599 KQXAICFAOVNKJC-AWEZNQCLSA-N 447.318 5.108 0 40 IKAB CCc1cccc2c(SCC(=O)NC3CCCCCC3)nc(-c3ccc(F)cc3)nc12 13084587 QVGOARNQVXPQHV-UHFFFAOYSA-N 437.584 5.929 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)n1C1CCCCC1 13116109 QTSNMQBSWVUXFO-UHFFFAOYSA-N 442.585 5.254 0 40 IKAB CCCc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccc(Cl)cc1 13513576 SMWBYAMRLZZHHI-UHFFFAOYSA-N 449.913 5.442 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@H](c2nc3ccccc3s2)C1 14167670 KSTGJRYZDUEVQW-INIZCTEOSA-N 442.610 5.225 0 40 IKAB COc1cc2c(c(OC)c1CC=C(C)C)C[C@H](c1ccc(O)c(CC=C(C)C)c1O)CO2 14727570 GDAAEAXMNLVRCZ-SFHVURJKSA-N 438.564 5.851 0 40 IKAB endogenous,in-man CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2ccccc2c1=O 15277642 YJPWDGDDVWAZDK-QFIPXVFZSA-N 429.545 5.197 0 40 IKAB c1ccc([C@@H]2N[C@@H](c3ccccc3)[C@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1 16478179 CXHSWOPDKRTKSI-ZDCRTTOTSA-N 449.597 7.823 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 16789199 FXQMIUDZTGMDMR-UHFFFAOYSA-N 439.924 5.223 0 40 IKAB CC(=O)N(C)C1CCC2(CC1)CN(C(=O)c1csc(C(C)C)c1)Cc1ccccc1O2 19452214 NNZXGYXQDLSNFV-UHFFFAOYSA-N 440.609 5.066 0 40 IKAB CC[C@@H](CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2)c1c[nH]c2ccccc12 19500047 UDJFACDBJNDVSU-IBGZPJMESA-N 430.548 5.387 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 19636729 AKKSGMZSRSHZMN-SFHVURJKSA-N 442.563 5.822 0 40 IKAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692225 LDHAFXSCFKRADC-XMMPIXPASA-N 449.913 5.160 0 40 IKAB CCc1ccc(NC(=O)Cn2c(-c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 19996388 OVCAYHRZKRLRIV-UHFFFAOYSA-N 443.572 5.205 0 40 IKAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 20152077 GRUCMQSKYLDHSJ-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 20624088 GIAJDZFBAPFCBO-GOSISDBHSA-N 431.967 5.422 0 40 IKAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2ccccc2nc1Cl 21276842 HMGYVWFLKMALNQ-AREMUKBSSA-N 441.918 5.078 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 21595641 WBPYUQCCFZHHMH-INIZCTEOSA-N 431.374 5.624 0 40 IKAB Cc1ccccc1NC(=O)CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 22274580 HVGXRAJFFNFXAU-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COC(=O)c1sc2nc(/C(Cl)=C/c3cc(-c4cccs4)cs3)nc(O)c2c1C 32070883 OHDMMCIPQFVRHB-GHXNOFRVSA-N 448.978 6.019 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32115352 DEYOAGODEBVRMW-UHFFFAOYSA-N 428.822 6.077 0 40 IKAB O=C(Nc1ccc(Br)cn1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32647225 RAPBESGUCMFUCH-UHFFFAOYSA-N 445.622 6.029 0 40 IKAB c1ccc(-n2c(CSc3nc4ccccc4s3)nnc2SCc2cccnc2)cc1 32761074 MGHSIXPSNULPMC-UHFFFAOYSA-N 447.614 5.857 0 40 IKAB Cc1cccc(-c2nc(CSc3nccn4nc(-c5cc(C)ccc5C)cc34)c(C)o2)c1 38486631 SCTFSYRJWZQQRN-UHFFFAOYSA-N 440.572 6.577 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359469 CJZZIBVHAZCTMV-FQEVSTJZSA-N 439.481 5.501 0 40 IKAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1ccc(Br)c(C(F)(F)F)c1 98072868 NFLFBGJLIDDPJE-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB N=c1c2c(ncn1CCCn1ccnc1)Oc1ccc3ccccc3c1[C@@H]2c1ccccc1 101122420 BJELJSWSHVKLFU-QHCPKHFHSA-N 433.515 5.088 0 40 IKAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]12 101459492 SFPYDOIXKBOBNZ-QVGHQYEOSA-N 443.543 5.043 0 40 IKAB O=C1/C(=C/Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1c1cccc(Cl)c1 103004510 WEVTVVPFKULTDW-XQNSMLJCSA-N 428.919 5.859 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cccc(Cl)c5)nc4c3)o2)cc1C 107563142 IALDPKGDLBDGBT-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1ccc(-c2nc3c(nc2-c2ccc(C)cc2)N(CCCCCCC(=O)O)CCC3)cc1 113656023 AYBWWXMNUCPFMW-UHFFFAOYSA-N 443.591 6.215 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl 222617259 BIZDJNUQNVBWGX-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750150 DAQHNLOQQBUMAP-SFHVURJKSA-N 447.044 5.214 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222822957 BAVQJYBPJIBKGN-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 223337292 GDUUWVWIQRZHCY-FGZHOGPDSA-N 434.952 5.291 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223826163 RDYQZMTVSCQXCB-IBGZPJMESA-N 443.031 5.514 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224154105 NKNMWEDMTIJWQA-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 224236781 AKNITXJZJNNGEI-FQEVSTJZSA-N 443.031 5.586 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1cccc(Cl)c1 224490924 MMQLLWJYGHMGKG-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224544681 QVRXJEMQZRLTBE-RPWUZVMVSA-N 427.529 5.527 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cc(C)cc(C)c1C 224615190 PFIMAHDTFPVHLP-UHFFFAOYSA-N 431.576 6.767 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224693573 GGSQFAZZJXQCOE-BJKOFHAPSA-N 426.545 5.688 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224704283 QKJJUHYSQMGMKM-JOCHJYFZSA-N 447.044 5.320 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225488063 WPCZUFMIYOMRMF-LVXARBLLSA-N 430.592 5.495 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225528129 TVWPKEBYEMCUSL-AVRDEDQJSA-N 447.044 5.463 0 40 IKAB O=C(Cc1cccc(Br)c1)NCCSCc1ccc(Cl)cc1Cl 225614089 MIZADHFCHNZPAJ-UHFFFAOYSA-N 433.198 5.348 0 40 IKAB Oc1nc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(Br)cc12 253536619 YWMPYNXYPONEET-UHFFFAOYSA-N 446.098 5.787 0 40 IKAB O=C(Nc1ccc(Cl)cc1)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253564167 GFEAYCMOOINTDC-NAVOZUGXSA-N 431.919 5.733 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257258041 KSDUGVPFVCSEPE-SFHVURJKSA-N 449.457 5.218 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257298004 RJSJGXRIUCSCFR-FQEVSTJZSA-N 428.532 5.497 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 257348351 DUXQZAKZLLLKRV-MMFUERAJSA-N 440.712 8.475 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 260759357 GGPAICZCBMEQKF-CAYVGHNUSA-N 429.376 5.768 0 40 IKAB O=C(CSCc1ccccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408563739 OZUZORBYXXBZOE-UHFFFAOYSA-N 430.356 6.096 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 408699354 SXWTZKPDZRXWMV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 408722821 GONQSHFACSVDIH-BVSWHAQMSA-N 437.539 5.220 0 40 IKAB O=C(CSCc1ccccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 408920776 MRQIIQQOVUEMSH-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)NC1=S 409088750 XZOYBJCHOUQLMW-YVLHZVERSA-N 439.339 5.179 0 40 IKAB CCOc1cc(Br)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409119745 UDNYYPSJXSMHEN-YVLHZVERSA-N 430.342 5.400 0 40 IKAB Cc1ccc(OCCCn2cc(/C=C3\SC(=O)N(CC(C)C)C3=O)c3ccccc32)cc1 409129790 SMQJKHXERLBERQ-IWIPYMOSSA-N 448.588 6.111 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)c2)cc1 409176491 PCPKDYZLLUODPQ-UHFFFAOYSA-N 442.298 5.594 0 40 IKAB Cc1cc(C)c(C2=Cc3ccccc3[C@H]2P(C2CCCCC2)C2CCCCC2)c(C)c1 575408798 UYQOVYNSWIOQOQ-SSEXGKCCSA-N 430.616 9.354 0 40 IKAB CC(C)CCN(CCC(=O)O)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccccc1Cl)O2 585267483 NUYQQTUYFNQGQZ-RUZDIDTESA-N 443.971 5.239 0 40 IKAB COc1ccc([C@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604418926 RJJUTPSMBSETMR-NFBKMPQASA-N 436.556 5.214 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1C 890804 HBQRXUNBEIZLNO-UHFFFAOYSA-N 435.446 5.649 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)cc1Cl 897137 JMLNPYXIYWKNFO-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 1019500 VPHPCZJHDIRLCW-NHCUHLMSSA-N 425.912 5.020 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 1396471 VTMKZUSRLJBCPC-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB CCCCCCC(=O)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 1787084 RXHXVTAWKDUPAB-CQSZACIVSA-N 431.585 5.611 0 40 IKAB Nn1c(SCc2cccc(Br)c2)nnc1-c1ccc(Cl)cc1Cl 2374030 RSJGUFHTVRLQCO-UHFFFAOYSA-N 430.158 5.021 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 2378984 NQFDGJSUAALRNH-HNNXBMFYSA-N 429.945 5.766 0 40 IKAB CC(C)CCn1c(=O)c2ccccc2n2c(CSCc3cccc4ccccc34)nnc12 2656126 URJBWRGHSOZWKQ-UHFFFAOYSA-N 442.588 5.677 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3n2)cc1C 2742677 KIRBJBGVZWNUPP-UHFFFAOYSA-N 449.579 7.203 0 40 IKAB Cc1ccccc1OCC(=O)Nc1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 2756612 IFYWXLHITSTYMN-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2799968 BEGOAVVGNIYTMM-CQSZACIVSA-N 431.483 5.844 0 40 IKAB CC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Br)cc4)cn13)CCCC2 3104158 KHLGWOUDTPODMZ-UHFFFAOYSA-N 433.349 6.376 0 40 IKAB CCCCCCn1c(SCC(=O)N(c2ccccc2)C(C)C)nc2ccccc2c1=O 3226841 ONOHCRJPQYSLJQ-UHFFFAOYSA-N 437.609 5.511 0 40 IKAB CCN(CC)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(Cl)cc2)cs1 6511281 SJPZDKWKKBIDGH-UHFFFAOYSA-N 445.991 5.981 0 40 IKAB Cc1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 8442730 KPLYXNIADXWMGL-UHFFFAOYSA-N 435.471 5.883 0 40 IKAB Brc1cc(Br)c2nc(-c3ccc(-c4ccccc4)cc3)ccc2c1 8782247 ZFTMOSQMUJKVIR-UHFFFAOYSA-N 439.150 7.094 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)NC2CCCCCC2)n1C1CCCCC1 8894755 JXXXLBXVEPSNPZ-UHFFFAOYSA-N 442.629 5.390 0 40 IKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2ccccc2)c1 9157962 VDSDXJKMIRMUBJ-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 9161396 NDSZDQRMCRSCKX-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 9354599 ZEANGQIXINPZAU-UHFFFAOYSA-N 431.311 5.002 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 9355478 IGSWLYDHXHOTNU-JRPXNJEYSA-N 442.562 7.152 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2coc3cc(C)cc(C)c23)cc1 9430880 BLZOXHFYPDQDEI-UHFFFAOYSA-N 437.495 6.516 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3OC[C@H]2c2ccccc2)o1 9549962 JURBBBSQSJKITP-NRFANRHFSA-N 443.528 5.304 0 40 IKAB CCN(C(=O)Nc1ccc(Cl)cc1)c1nc(-c2ccc(Br)cc2)cs1 9606928 NJTKVLFPYHUWPU-UHFFFAOYSA-N 436.762 6.284 0 40 IKAB CN(C)c1ccc(C(=O)N(C(=O)c2ccc(N(C)C)cc2)c2ccc(F)c(Cl)c2)cc1 9635951 QDKLBEWGXLUXRV-UHFFFAOYSA-N 439.918 5.098 0 40 IKAB C[C@@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 9799761 BUWUDFHTIGELRC-OAHLLOKOSA-N 443.473 5.129 0 40 IKAB C[C@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)C1CC1 10153198 CGPQVZXQDGBFMK-UQBPGWFLSA-N 446.572 5.158 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10362525 WEKWVGUFEHVADE-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cs1 11034685 ZAEKOYIARUBABB-HXUWFJFHSA-N 438.940 5.210 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 11117358 KBYBMTNELLFQAM-RTWAWAEBSA-N 427.957 5.165 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 11614333 SECYWCJGQCAMEA-IBGZPJMESA-N 448.887 5.707 0 40 IKAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(F)c(Cl)c1 11694983 LADLPBQMAOVLCI-UHFFFAOYSA-N 426.947 5.153 0 40 IKAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 12249409 PPJWCDCTFCMDRO-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12748951 ZKPFDGFTSOIWBF-NTKDMRAZSA-N 447.629 5.443 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1Cl 12870156 SOVIUYFYJZVTGH-QGZVFWFLSA-N 435.351 5.239 0 40 IKAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@H]1c1nc2ccccc2s1 12992538 SAEYECWSZQHEOY-AWEZNQCLSA-N 446.903 5.494 0 40 IKAB O=c1[nH]c2ccccc2n1CCCSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 13017143 GELNIDVKACRMLE-UHFFFAOYSA-N 439.544 5.031 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccccc1 13475790 NXEILGMCQKVXCQ-YYADALCUSA-N 432.523 5.363 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1 14183330 KNUQPYSUSIYRQG-XMMPIXPASA-N 441.531 5.050 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3O)oc2c1 14270262 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CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 34705906 PUIRJYPOOGCQRT-UHFFFAOYSA-N 431.989 5.244 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccc(C)c(C)c2)cc1 35352697 BCLQSJBXXUNPPM-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1C 35648090 WZBFSXJMNBOHPJ-ODLFYWEKSA-N 443.355 6.953 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OCC 38771681 OLKZSJQWHVMCLG-UHFFFAOYSA-N 449.616 6.656 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@H]3C(=O)Nc3cc(Cl)ccc3Cl)co2)cc1 48302962 FDRKAVYGNZTKTC-FQEVSTJZSA-N 446.334 5.260 0 40 IKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Br)c(C)c1 49005531 SKIJTGCMBBINFM-UHFFFAOYSA-N 427.346 5.235 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1 57428478 RQHSBPXKRGXOKY-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1cc(Cl)ccc1OCc1cccnc1 58407180 NORYLAVTJKTEMD-UHFFFAOYSA-N 429.225 5.196 0 40 IKAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1cccc(Cl)c1 59475325 GDMHUKZYQXWVMY-UHFFFAOYSA-N 436.924 5.024 0 40 IKAB CCOC(=O)c1c(CC(=O)c2ccccc2)c(-c2ccccc2)n(Cc2ccccc2)c1C 67340088 HJINVOXZIQDQGF-UHFFFAOYSA-N 437.539 6.114 0 40 IKAB CCCCCC[C@@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 72332629 ADHFDROAWBZRKA-JTHBVZDNSA-N 427.386 6.679 0 40 IKAB Cc1ccc(C)c(Nc2cnn(C34C[C@H]5C[C@@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1 101095076 VTFUKTYBYPBTPA-GAAJCNLQSA-N 441.959 5.027 0 40 IKAB O=C1/C(=C\Nc2cccc(Cl)c2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 103017779 HVDRCJPHQQUBTN-MOSHPQCFSA-N 442.824 5.999 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 216409360 KAEIPMKSGKDGEM-AVRWGWEMSA-N 434.561 5.162 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 222713670 HVBXVPCBGLKPCX-XMDBHEJHSA-N 444.387 6.628 0 40 IKAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4cccc(C(F)(F)F)c4)cc32)cc1 222963820 KCEKZSLTHSXMRQ-UHFFFAOYSA-N 440.421 5.169 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 223024427 LGYMTECDDFJDAA-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 223110433 XYJFSKVGALFJOC-AREMUKBSSA-N 433.979 6.679 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCc1ccccc1 223123872 MCHMVNFSVLRINR-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 223140613 RKJIWAWDFHULCV-CABCVRRESA-N 439.358 5.007 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 223311125 VOVIEQDQGFKFQC-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C(C)C 223323799 SSKGGAWJSLUSNF-OAHLLOKOSA-N 440.403 5.070 0 40 IKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n(-c2ccccc2)c1C 223366787 TYPPUHQARVTOSI-RPBOFIJWSA-N 442.588 5.563 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C)cc1 224012406 HRFGHHKFRLNORK-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB S=C(NCC1(c2ccccc2)CCOCC1)Nc1ccc(Sc2ccccc2)nc1 224013903 BVBWEBOOQWZRRC-UHFFFAOYSA-N 435.618 5.268 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224018158 PRXFLNRXWXLWBK-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COc1ccccc1C 224099953 GUIPRNBMTZCKNX-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Cl)cc2C)cc1 224205596 ZCHRNVMEBJATAF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 224206694 OXONQQJAJMUWIH-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc2ccccc2c1 224310059 ZRUHWKYYMVYNNO-UHFFFAOYSA-N 431.919 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1cccc(C)c1 224383621 LTKROFRMQCYYCL-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCSCc3ccccc3)cc2)c1 224554252 CPEQZRUGHGVXLU-UHFFFAOYSA-N 440.590 5.058 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)[nH]1 224919960 CWSKAVFULBSMDC-WOJBJXKFSA-N 441.398 5.275 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225134880 RSCOXUZDQHSMMS-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225636602 SUNZWMXKUGAPDE-VGSWGCGISA-N 449.422 5.648 0 40 IKAB COCCOc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F 225957104 ZDNKGNYMQNDUDV-UHFFFAOYSA-N 429.866 5.591 0 40 IKAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225984028 OGWHRQMKFVJWTG-UHFFFAOYSA-N 437.657 5.354 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 226349312 PLRQXAUSDNLUSN-UHFFFAOYSA-N 425.204 5.562 0 40 IKAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)C2CCCCC2)CC1 257286445 PLPNMZQFLGIPEK-UHFFFAOYSA-N 432.608 5.173 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCCC2)c1 260812313 AHYFOYBNDOKCNK-QHCPKHFHSA-N 434.624 5.946 0 40 IKAB CCc1nc(S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)n[nH]1 408630947 DXJAWUFLWXBCTD-ODLFYWEKSA-N 438.940 5.241 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408640017 HXBZKHQFFYHFKN-OAHLLOKOSA-N 449.776 5.219 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408649790 AHOWJKBWDMQEAL-JOCHJYFZSA-N 449.550 6.124 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)cc1C 408698405 NKZZLZQFFHTHGE-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(CSc1nnc(COc2ccc3c(c2)CCCC3)o1)Nc1cccc2ccccc12 409007978 TXMSSBHATXUABF-UHFFFAOYSA-N 445.544 5.411 0 40 IKAB CCc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1 409025848 YJGNUPLMJBOSNL-UHFFFAOYSA-N 442.968 5.121 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C(=O)Nc2ccccc2)c1C 409061013 BLTPFVJURCGDID-UHFFFAOYSA-N 442.924 5.391 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1c1ccc(Cl)cc1 409209703 HXBLRSVSYRVHQL-WQRHYEAKSA-N 449.837 6.860 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)c1 409218123 HJZOCDIPSFDYEW-BUVRLJJBSA-N 443.524 5.493 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)c1 409381186 KPUDTZVPAJNEJU-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1C 409411891 NBERWGRKYMNPND-UHFFFAOYSA-N 447.000 5.378 0 40 IKAB Cc1cc2c(cc1-c1ccnc(N3CCN(Cc4ccccc4)CC3)n1)[C@@H](C)CC(C)(C)N2 575473059 BBLQEWLUKBAHME-NRFANRHFSA-N 441.623 5.472 0 40 IKAB CC(C)(C)[C@H]1CC[C@](O)(CN2CCC(O)(COc3ccc(Cl)c(Cl)c3)CC2)CC1 585287775 RFIMZRLETGTHFB-LMTLIKQPSA-N 444.443 5.167 0 40 IKAB CCCc1cc(C(=O)N2Cc3ccccc3NCc3ccccc3OC[C@@H]2CC(C)C)no1 643581893 ATIHOKBOGGYLRI-QFIPXVFZSA-N 447.579 5.689 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccc(Cl)cc2)Cc2ccccc21 643587836 PJPVZJDAGRJWNU-UHFFFAOYSA-N 426.988 5.618 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)[C@@H]1C=C(Cl)Cl 702334 HGULZIZJVDBRTI-WCQYABFASA-N 432.373 5.499 0 40 IKAB S=c1n(CN2CCCC2)nc(COc2ccc(C3CCCCC3)cc2)n1-c1ccccc1 716246 UWYFYRYWVIYUSC-UHFFFAOYSA-N 448.636 6.083 0 40 IKAB Cc1oc(COc2ccc(C(=O)Nc3ccccc3)cc2)cc1C(=O)Nc1ccccc1 828955 CJISQOCTKZUDNV-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1cccc(C)c1 1247360 ZARRMMIQHOKXES-UHFFFAOYSA-N 441.483 5.594 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 1339030 JXPMLTKNCKABHB-RUZDIDTESA-N 445.538 5.366 0 40 IKAB CCCC(=O)Oc1ccc2c(c1)c(C(=O)OCC)c(C)n2-c1ccc(OC)c(Cl)c1 1522215 RHLVEODNFJQBAL-UHFFFAOYSA-N 429.900 5.483 0 40 IKAB CCOc1ccccc1-n1c(SCC)nc2sc3c(c2c1=O)CCc1ccccc1-3 1834338 DLKXPAAWVPWZRY-UHFFFAOYSA-N 434.586 5.724 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2081342 CJUMTQUEOIZAAS-UHFFFAOYSA-N 437.282 6.190 0 40 IKAB CCOC(CSc1nc(SC)nc2sc3c(c12)C[C@](C)(CC)OC3)OCC 2215481 DDEHDKHUBPRPIL-IBGZPJMESA-N 428.645 5.146 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cccc(Cl)c3)cc2oc1=O 2265076 WVCBPIUYVVKDKL-UHFFFAOYSA-N 435.303 5.483 0 40 IKAB CCCCCSc1nnc2c3c(nc(SCC)n12)-c1ccccc1CC31CCCC1 2369141 QTRXTIZMTWRSNW-UHFFFAOYSA-N 438.666 6.554 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Br)c2)N1Cc1ccccc1 2398964 WRPDOWBPGXJRMC-NRFANRHFSA-N 446.300 5.301 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1cccnc1 2679566 RHIDXRZHXOKBFA-UHFFFAOYSA-N 428.513 5.906 0 40 IKAB COc1ccccc1Nc1nc(-c2ccccc2Cl)c2cc(Br)ccc2n1 2690390 UHVJZLDUXJZFMZ-UHFFFAOYSA-N 440.728 6.465 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccccc2F)cc1 2721837 PRJMVCJLSXHUBE-UHFFFAOYSA-N 429.494 5.507 0 40 IKAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@H](C(C)(C)CC)C2 2741609 WCPAZWGRICLSIZ-LPHOPBHVSA-N 443.609 5.872 0 40 IKAB CCCOc1ccc(C(=O)Nc2sc(C)c(-c3ccc(F)cc3)c2C(=O)OCC)cc1 2750347 IBKIYCXSLUJDBG-UHFFFAOYSA-N 441.524 6.080 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 2889719 HLCLUWUSMZLEJD-UHFFFAOYSA-N 436.316 5.769 0 40 IKAB C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 3658686 KHGZSIKEOUGZRS-GOSISDBHSA-N 425.532 7.080 0 40 IKAB CC(C)C1=CC2=CC[C@H]3[C@](C)(C(=O)N4C(=O)c5ccccc5C4=O)CCC[C@]3(C)[C@@H]2CC1 4726882 ZZSCRJSMECRJMK-DBWGNYCGSA-N 431.576 5.944 0 40 IKAB CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 6110712 KGQSZPRCNOTKJV-GOSISDBHSA-N 446.576 5.996 0 40 IKAB CO[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@H]1C 8298881 XRJBEZUZIKBOEI-ADYXCIGPSA-N 442.772 8.903 0 40 IKAB CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccccc23)cc1 8605100 VHECWZZQGIARSA-UHFFFAOYSA-N 445.540 5.314 0 40 IKAB Cc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1ccnn1C(C)C 8747612 RRBJJWNTWAOPOC-XMMPIXPASA-N 429.524 5.231 0 40 IKAB C[C@]1(c2ccccc2)CC(n2c3ccccc3c3ccccc32)=NC(SCC(=O)O)=N1 8856014 XZYLZFUUIXGASZ-RUZDIDTESA-N 427.529 5.534 0 40 IKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccc(Br)o3)ccc21 8959283 ZVRPEWREPBNOCT-UHFFFAOYSA-N 449.345 5.092 0 40 IKAB Cc1ccccc1NC(=O)[C@]1(c2ccccc2)CC(=O)N1c1ccc(Br)cc1 9129990 GDQZNSGQPAJOSX-HSZRJFAPSA-N 435.321 5.028 0 40 IKAB Cc1c(C(=O)Nc2cc(-c3ccc(F)c(F)c3)no2)oc2ccc(Br)cc12 9250600 BWZLNHHDRCGCGU-UHFFFAOYSA-N 433.208 5.689 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(F)cc1 9253390 SILZAXBOPIHALB-UHFFFAOYSA-N 437.810 5.234 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccnc2)c1 9671235 ODLCIIMBZSQTJR-UHFFFAOYSA-N 442.519 5.043 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccco2)cc1 9679201 RBVJWXWELFQXNQ-OAQYLSRUSA-N 434.293 5.490 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 11209224 CQROTYAAUPWNAM-UHFFFAOYSA-N 449.498 5.192 0 40 IKAB O=c1c(Cl)cc(C(F)(F)F)cn1Cc1csc(COc2ccc(Cl)cc2)n1 11425297 VJBNMUPSPUGJKS-UHFFFAOYSA-N 435.254 5.258 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 12194577 KVNZKNXBBWKINH-WXVAWEFUSA-N 446.547 6.408 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1 12566680 MHUKQKSXTVGRKF-SANMLTNESA-N 449.529 5.938 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1csc(-c2ccc(C)cc2)n1 12934897 XYMRCMWISOVXFZ-UHFFFAOYSA-N 438.549 5.220 0 40 IKAB CNC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(-c3ccccc3F)s2)C2CC2)cc1 13022425 ZQGFXZJEGDGOTE-FYWRMAATSA-N 434.536 5.118 0 40 IKAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1ccccc1SCc1ccccc1F 13041552 PQNQKZGAFULCKA-UHFFFAOYSA-N 438.915 5.604 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccc(CC)cc3)nc3ccccc3c2=O)cc1 13148415 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Clc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200425 UVIFGVBVPSCCKB-UHFFFAOYSA-N 444.970 6.515 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2ccc(OC)c(OCC)c2)n1 19525606 WJJMZPKOWPTDOX-QHCPKHFHSA-N 446.595 5.626 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccs2)N2CCN(C)CC2)c1C 19880296 NTZSYEBPJSABIX-NRFANRHFSA-N 425.623 5.016 0 40 IKAB COc1ccc(Cl)cc1-n1c(SCc2cc(C)on2)nnc1-c1cccc(Cl)c1 20053296 NKJUXNBHYFPTSQ-UHFFFAOYSA-N 447.347 5.838 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139952 WDCAKBWYXPRNJN-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccccc3Br)o2)cc1C 21305242 DTTWVPPBEJCHGE-INIZCTEOSA-N 427.342 5.531 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 22073950 ZWPYCVRWHIYPKM-DUXBZUBYSA-N 446.056 6.684 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24832008 NNITVUFGKWVMFX-UHFFFAOYSA-N 433.489 5.289 0 40 IKAB O=C(Nc1cccc(CNC[C@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl 24981473 RFLKNHGOPZVHLK-JOCHJYFZSA-N 440.012 5.581 0 40 IKAB CCCCc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 30938244 GVLWSKJIOUPUCC-UHFFFAOYSA-N 429.402 5.642 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 34138837 WUCNIUYUQHBRSR-RDGATRHJSA-N 436.458 5.614 0 40 IKAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)Nc2ccc(Cl)cc2)cc1 35681713 JHWFNYODOMOQNH-UHFFFAOYSA-N 434.948 7.015 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3ccc(OC)cc3OC)cs2)c(OC)c1 39987613 SNSKHNDADLNAIJ-OAQYLSRUSA-N 440.565 5.182 0 40 IKAB CCOc1cc(/C=C/C(=O)OC)cc(Br)c1OCc1ccccc1Cl 62715584 NYKKNAZQXSFPNZ-CMDGGOBGSA-N 425.706 5.266 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 64452482 KDRVILQGPRMSDR-JTQLQIEISA-N 444.825 5.123 0 40 IKAB Cc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 67245640 MPEIGECNUVKTNF-UHFFFAOYSA-N 434.970 5.096 0 40 IKAB Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(CCc3ccccc3)c(=O)c12 67260416 MKVSKTPEMDRZBW-UHFFFAOYSA-N 448.935 5.380 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377268 LDIVVEWKZSKZGG-NRFANRHFSA-N 438.934 5.205 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 89793920 ZXXATUVQVXOJBR-PCTKBASHSA-N 429.470 5.797 0 40 IKAB CCc1cccc(N2C(=O)N(C(=O)c3ccc(C)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032791 BJUMSERECMLFOK-WNCULLNHSA-N 426.516 5.880 0 40 IKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@H]2C(=O)O 100630459 NGZQPIDJKGPPTM-PZBISTMVSA-N 438.593 5.739 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1nc(-c3ccccc3)c(C(=O)c3ccccc3)s1)C2=O 100936674 ZUWPTTAYSRUNES-QYBDOPJKSA-N 444.556 5.357 0 40 IKAB COC(=O)CC[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[C@@H](O)[C@@]21C 123321771 FVYCOKNQUSFTBH-MHLDLFGUSA-N 448.644 5.137 0 40 IKAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1 216341671 MAIMWYCSTWCNKT-UHFFFAOYSA-N 432.567 6.092 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Cl)cc1Br 218858064 ZAZLKPGXZJKTTD-INIZCTEOSA-N 438.749 5.208 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 222445709 LZMWDVGHRFDZGY-XMMPIXPASA-N 438.612 5.003 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222953958 ANUZZIGHGDWMEO-SFTDATJTSA-N 433.606 5.255 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222956352 HTYDMXVCPDHRNB-RTWAWAEBSA-N 445.419 5.952 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223047416 VVVWJBXIRVSZCN-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 223087932 ZUTFSLRAZTVSPN-UXHICEINSA-N 444.616 5.008 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223380091 WJHOHERXUSLOEL-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCCc3ccccc32)nc1 223974390 IZDTVEUAQYAISV-UHFFFAOYSA-N 442.632 5.964 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 224065807 ODNBOJUYNAQHIL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(N2CCCCS2(=O)=O)c1 224388418 OLKBDNMFJAGDOB-UHFFFAOYSA-N 438.574 5.020 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 224396721 TYPMGZOYZOPEGN-DNQXCXABSA-N 434.584 5.931 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(Cl)c(C)c1 224543836 BFZVLGPATNJHFV-UHFFFAOYSA-N 431.866 6.157 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C(C)C 224565644 QHFJUEITOSDDFN-UHFFFAOYSA-N 437.967 7.002 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225491732 BUVMKDAZYICYHC-IERDGZPVSA-N 435.395 5.258 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@@H](C)C4)cc3)CCCC2)cc1 225512919 ULIBBUFZYMCXHC-ZRZAMGCNSA-N 434.624 5.802 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225604133 QEWUAEWTBLDPAJ-XXBNENTESA-N 429.004 5.221 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)c(Cl)c1 225678685 YPOTUNHALYTHJP-MRXNPFEDSA-N 439.806 6.000 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225680066 ZEHGZAMMTRFVAY-NRFANRHFSA-N 437.609 5.210 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226341678 BUFAEQHPTNLNQQ-ZHACJKMWSA-N 445.740 6.411 0 40 IKAB O=C(Oc1cccc2ccccc12)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Oc1cccc2ccccc12 247442601 XPWPZXGCDIIACE-YXVKNGOVSA-N 434.491 5.942 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@@H]3C[C@H]21 257202960 AOAFXEMCQCJBLD-HWLQVEPHSA-N 441.955 5.178 0 40 IKAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)c3ccc4c(c3)CCCN4C)nc2)cc1 257294147 QSTMYFYPCXRPKH-MHZLTWQESA-N 425.576 5.341 0 40 IKAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 408535326 VXHOWKWHABYTMF-SMEDBKPVSA-N 441.574 5.524 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccccc1Cl 408600955 HSFSNHJKVKSGNH-VXLYETTFSA-N 431.847 6.115 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 408622380 NLTHXBDLRNFRAY-UHFFFAOYSA-N 428.598 5.255 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)ccc1OCc1ccccc1 408625810 YFMMOXPWYXHSET-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408696441 BLDVYKDBYLYOGZ-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(C)cc2)cc1 408698708 RRPSDTVGKLMXQG-UHFFFAOYSA-N 448.526 6.047 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1Cl 408698803 PQUNLLULULPTFJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN(C)c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 408960834 ONKJKFOLIXZUKV-STZFKDTASA-N 437.952 5.433 0 40 IKAB Cc1ccc(OCCCn2cc(/C=C3\SC(=O)N(C(C)C)C3=O)c3ccccc32)cc1 409125260 LLMNXAJMMMYKSS-HAHDFKILSA-N 434.561 5.864 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CC1CCCCC1 409148765 RKWMMAVJQJFBKS-HYARGMPZSA-N 425.525 6.021 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2OC)nnc1-c1cc2cc(Cl)ccc2o1 409341348 BJDJZDRUPVCPBC-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB COc1cccc(-c2oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)c1 524731220 ONCNBRXDVDDOOS-UHFFFAOYSA-N 442.423 5.215 0 40 IKAB biogenic CC1(C)Oc2c(Br)cccc2[C@H]2O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]21 585264819 PKHYMKJAQYIUFD-LCLWPZTBSA-N 445.353 5.400 0 40 IKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1cccc(F)c1)CCOCCO2 643565381 YHMGOCBDTKQGLD-UHFFFAOYSA-N 447.550 5.591 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cc(C)n(C(C)C)n1 1615610236 GLYLYYVGILPUSB-UHFFFAOYSA-N 444.457 5.604 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2ccccc2Cl)n1 1848355149 TWXUYUHWXBJGDE-VWLOTQADSA-N 429.951 5.713 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc(Br)c1 623797 KTKFBIVZOPZGNS-UHFFFAOYSA-N 427.689 5.089 0 40 IKAB COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(c23)N[C@@H](c2ccccc2)NC4=O)cc1 643027 NWGBDJCQZITLBB-HSZRJFAPSA-N 443.528 5.337 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2ccccc2c1 684699 WORFYTQQZLFLKG-XMMPIXPASA-N 442.544 5.638 0 40 IKAB CN(C)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc(N(C)C)c3)c2)c1 784057 RAXRLUZYNBWHPW-UHFFFAOYSA-N 432.528 5.107 0 40 IKAB COc1ccc2cc(CN(Cc3ccc(C)cc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1327544 XBTJJJRSYPZHRE-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(CCc1ccccc1)C(=O)c1ccco1 1341691 MOAIUXQNDHQTAQ-RUZDIDTESA-N 448.538 5.294 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)c(Cl)nc2c1 1367748 NZOYAZOISMYXMC-UHFFFAOYSA-N 444.966 6.443 0 40 IKAB CCc1ccc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 1775146 PUVOEIPXOQGAIA-QGZVFWFLSA-N 436.504 5.791 0 40 IKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)cc1OC 1944662 JRJKNZWNNCRBIY-NCELDCMTSA-N 436.305 6.112 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)C1CCCCC1 2301969 YOAAQGYVTZAEBG-HOTGVXAUSA-N 440.897 5.602 0 40 IKAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 2338643 OSAKAMGNRDNCDX-UHFFFAOYSA-N 441.343 5.611 0 40 IKAB CCCCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 2383201 DMBPKBHLISDXJB-UHFFFAOYSA-N 440.663 6.402 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccccc2F)cc1 2422710 QGAOYIURRXWNBE-DEOSSOPVSA-N 443.474 5.037 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1F 2746138 HUFBPBVRKWINPC-NDENLUEZSA-N 437.854 5.411 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012858 ABBREFQWGCYLPZ-GXTWGEPZSA-N 445.228 5.696 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccccc1 3108487 ZMUODLAAKICREI-UHFFFAOYSA-N 431.311 5.002 0 40 IKAB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1ccc(OC(F)F)cc1 3190440 BRKGVCZDLBFEPZ-UHFFFAOYSA-N 442.459 5.902 0 40 IKAB CC(=O)Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 3765745 IACXFUIFCSTVBZ-UHFFFAOYSA-N 429.332 5.928 0 40 IKAB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 8445153 SHURFDSNWJIJCK-NFFVHWSESA-N 435.405 6.236 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(C)o3)C[C@H]21 8717752 ZITJOLGPJCQEJR-HSZRJFAPSA-N 443.547 5.132 0 40 IKAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 8749004 ZZIPCTGMEGXLKT-LZYBPNLTSA-N 425.362 5.821 0 40 IKAB C[C@@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 8762135 ALQNIJCGTCZRDM-NORHQAJESA-N 436.504 5.136 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(CN5CCCC5=O)cc4)cc3)sc2c1 8862537 MJIMUTKEGGEEAL-UHFFFAOYSA-N 441.556 5.646 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(COc3cccc(C)c3)o2)c2ccccc2)cc1 8945241 ZDBFJACNYGZYIH-QHCPKHFHSA-N 445.544 5.738 0 40 IKAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 8991482 VHPDCYGDNBOWQQ-XMMPIXPASA-N 431.561 5.016 0 40 IKAB Oc1cc(OCc2ccc(F)cc2Cl)ccc1-c1[nH]ncc1-c1ccc(Cl)cc1 9160182 OSZLAWNRKFLKSE-UHFFFAOYSA-N 429.278 6.474 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(C)c3ccccc3c2=O)cc1OC 9327830 GTYLRHMYMHYTCL-UHFFFAOYSA-N 448.906 5.128 0 40 IKAB Cc1ccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)cc1 9391747 RZDOVFRZDWYXBE-UHFFFAOYSA-N 430.529 5.458 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccccc2)nc2ccccc12 9404653 OWPSUTQPNNGNJL-UHFFFAOYSA-N 440.506 6.697 0 40 IKAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)c1 9712727 FZQFBWRYJGGIMI-UHFFFAOYSA-N 448.569 5.057 0 40 IKAB Cc1cc(OCC(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c(C(C)C)cc1Cl 10444379 QEKIPDPIGDVGLJ-UHFFFAOYSA-N 428.960 5.028 0 40 IKAB Cc1cc(OCCSc2nc3ccccc3n2CC(=O)N2CCCCC2)ccc1Cl 12062265 NKMKRFUAYAUSRU-UHFFFAOYSA-N 444.000 5.182 0 40 IKAB Cc1ccc(C)c(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c1 12772921 MXOIEPPIRHGJHP-UHFFFAOYSA-N 444.556 5.439 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1 12817709 TXKJSDRUEMTQCW-IAGOWNOFSA-N 431.565 5.448 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3ccccc3)c3ccccc3n2)o1 13014192 WJHAEVVESFZXJE-OAHLLOKOSA-N 444.491 6.110 0 40 IKAB O=C1CN(c2ccc(Cc3ccccc3)cc2)C(=O)CN1c1ccc(Cc2ccccc2)cc1 13015942 XYCSPXRSYYROSG-UHFFFAOYSA-N 446.550 5.248 0 40 IKAB COc1cccc([C@@H](CNc2nc(C)nc3sc4c(c23)CCCCC4)N2CCCC2)c1 13069908 XAHDCDUYEXTVRO-OAQYLSRUSA-N 436.625 5.526 0 40 IKAB Brc1ccccc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 13112779 BPVBBATXLQFQAX-UHFFFAOYSA-N 437.366 5.443 0 40 IKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2ccccc2)cc1 13786435 IEROKQNEZOXHTN-XMMPIXPASA-N 440.506 6.539 0 40 IKAB COc1ccc(Br)c([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)c1 15016860 YDUWLUHIHQNHKP-NQIIRXRSSA-N 441.350 5.762 0 40 IKAB CCCC(=O)Nc1ccccc1SCc1cc(=O)n2nc(C3CCCCC3)sc2n1 15732000 VPDVSHBSPAKVJG-UHFFFAOYSA-N 442.610 5.230 0 40 IKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 15947176 SZHWMXLEHAVRNO-HHHXNRCGSA-N 431.507 5.265 0 40 IKAB CCc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)OCc2ccc(Br)cc2)cc1 16161694 YQMIAIPNCRTRQC-NHCUHLMSSA-N 444.369 5.500 0 40 IKAB COc1ccc(C(=O)c2sc3nc(C45CC6CC(CC(C6)C4)C5)ccc3c2N)cc1OC 16227224 LKSFVJLRVDSIDF-UHFFFAOYSA-N 448.588 5.595 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1nc(CC)n2C(=O)CC 16777684 WEXYDVRRQNHCLL-UHFFFAOYSA-N 425.341 5.013 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 19082022 DVJGIYBHDICOSZ-OAQYLSRUSA-N 434.411 5.504 0 40 IKAB COc1coc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)c1OC 19220266 XNNITUJUBCEXMU-SFHVURJKSA-N 445.519 5.168 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1 22749863 MPZSBFVFORCDFU-HXUWFJFHSA-N 425.916 5.461 0 40 IKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 30758167 QZSWZAQECBEQBZ-LJQANCHMSA-N 428.381 5.209 0 40 IKAB Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc2ccccc2c(=O)n1C(C)C 32984659 WRSMPYCKWXGEHR-UHFFFAOYSA-N 449.576 6.020 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3cccc(SC)c3)c3ccccc3n2)cc1 32985613 UECZAJNWHIPSAB-UHFFFAOYSA-N 430.529 5.650 0 40 IKAB CCCCOc1ccc(-c2cc3c(N4CCN(c5ccc(F)cc5)CC4)nccn3n2)cc1 33048705 PYHCZCFGINRLLD-UHFFFAOYSA-N 445.542 5.041 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2cccs2)cc1 35288729 UKYDYONLFRNWKZ-UHFFFAOYSA-N 436.964 6.109 0 40 IKAB C[C@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1)c1ccccc1 40132717 BFLPVLPDPIZFFQ-SFHVURJKSA-N 426.520 5.118 0 40 IKAB Fc1cccc(Cl)c1Cn1c(-c2c(F)cccc2Cl)nc2cc3c(cc21)OCCO3 40151904 UXTOMHPWSMBAKC-UHFFFAOYSA-N 447.268 6.108 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2cccc(Cl)c2)cc1 44087320 TUJZKNHILMLROT-UHFFFAOYSA-N 438.940 5.528 0 40 IKAB CCC(=O)Nc1nc2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 57313542 BGAZSDGFUAPQMM-JTQLQIEISA-N 438.336 5.358 0 40 IKAB O=C(N1CCC(c2onc3c2CCCCC3)CC1)C1(c2ccc(Cl)cc2)CCCC1 57742306 WNBGVLPPVGIWBG-UHFFFAOYSA-N 426.988 5.815 0 40 IKAB CC(=O)N(c1nc(CN(C2CC2)[C@H]2CCCOc3cc(C)c(C)cc32)cs1)C1CC1 72309432 JJONUXMINOHGGJ-QFIPXVFZSA-N 425.598 5.154 0 40 IKAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@H]2c2ccccc2)cc1 72311548 FUESGLIYBZHQFR-NRFANRHFSA-N 436.581 5.150 0 40 IKAB COc1cccc(NC(=O)c2ccc3onc(-c4coc(-c5ccc(C)cc5)n4)c3c2)c1 96154317 NFLYTQYWZROCAD-UHFFFAOYSA-N 425.444 5.719 0 40 IKAB Cc1c(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)oc2ccccc12 96194335 RGGCCYCFJFDRKE-UHFFFAOYSA-N 431.304 5.793 0 40 IKAB CC(C)Cc1ccc(S(=O)(=O)Nc2c(NC3CCCC3)c3ccccc3oc2=O)cc1 101096039 QEDYDOJJVOIASF-UHFFFAOYSA-N 440.565 5.147 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 102676548 KVALJVQIKPOBBW-HFSOOCLMSA-N 447.531 5.964 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106715618 AEHDOWGLEFFASJ-NVNXTCNLSA-N 432.250 6.249 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1CCOc1ccccc1 106766682 BAJYULRYEYFAFD-ZDLGFXPLSA-N 443.322 5.046 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)ccc1NC(=O)c1ccco1 107652388 QRTDTSDODLGMRW-UHFFFAOYSA-N 430.460 5.670 0 40 IKAB CC[C@H](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)C(C)C 118912503 FFLGORGANMRISQ-FVKRCMCYSA-N 432.733 7.076 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 222817819 IXYMBRXIDYFHMA-INIZCTEOSA-N 435.395 5.258 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222986011 JLHATVNGABATNI-YADHBBJMSA-N 425.985 6.076 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 223415625 HFVFXBNYUPWBQQ-UHFFFAOYSA-N 432.523 6.397 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 223627220 SFLQJONAEMTMFB-JOCHJYFZSA-N 428.576 5.070 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223701245 AVHVTKLCDXGTRK-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1cc(C(=O)N2CCCc3ccccc32)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224007594 KTUFWLGPKKKJBG-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224215208 SSQDXXDNKKMDLD-DNQXCXABSA-N 445.975 6.481 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224243208 NUYFAHOYCQQJMX-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224459097 QQPRWWFUHZMFQB-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(C)cc1 224466757 HGZURDUMXMHTQZ-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 224554691 VCWZKZPKTAQEPC-ROUUACIJSA-N 446.395 5.091 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224659653 YGNBRCVYOXEVJQ-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224688167 CWDXYJGZLWLZAQ-LOSJGSFVSA-N 440.572 5.698 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)o2)cc1 224853991 ZTVBPRVEWPZEIS-UHFFFAOYSA-N 448.906 6.367 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225362306 FDLKSFYCGLXZOO-NRFANRHFSA-N 435.395 5.178 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(F)cc2)n1-c1ccccc1 225544950 VRZHDNMHZBZSBF-UHFFFAOYSA-N 427.504 5.812 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245241682 MOXDDWKSQCILQK-PVNWTDOBSA-N 430.598 6.237 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257201659 AILOSCDMOXKUAV-LJQANCHMSA-N 444.560 5.112 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccc(F)cc1 408573816 KTWSCBQJZAHWCW-UHFFFAOYSA-N 425.525 5.277 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2)c1OCc1c(Cl)cccc1Cl 408574723 MMBXSWFNONDOPY-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cc(C)cc(C)c1 408594644 JBKFDBUCVNWHQW-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc(Cl)ccc1OC 408637228 HVMIVYRYPXQZOA-UHFFFAOYSA-N 428.772 6.226 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)cc(C)c3)c3ccccc3n2)cc1 408673113 YSTHVLOTJWATLB-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408684254 NCYPMPINEGVJNQ-QHCPKHFHSA-N 447.383 6.398 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1cccc(Cl)c1 408699172 RSRUPKGIVZKXPB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408699572 UWIBPQJBCUVZDI-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1 408724037 CSRBTOKMJGQRLD-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 408775303 SBMXJLVZWDWVPH-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409109872 NAYFCRGCTQGIMK-UHFFFAOYSA-N 445.968 5.654 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1ccccc1 409200455 SIMOFUKMTKJUJK-MTJSOVHGSA-N 433.891 5.581 0 40 IKAB Cc1ccc(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 409206147 HVDHEGWFPJEADX-UHFFFAOYSA-N 426.585 5.763 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 409239067 GDFUTYDQQHQTSZ-DEDYPNTBSA-N 439.298 5.670 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 585266197 WCAPJWIDHPUEID-NRFANRHFSA-N 425.891 5.094 0 40 IKAB O=C(COc1cc(F)ccc1F)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055738619 CVDUIWXFGHJPDW-UHFFFAOYSA-N 434.486 5.056 0 40 IKAB COc1ccc([C@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)c(OC)c1 646196 MXUZGBDQSKGCIW-RUZDIDTESA-N 432.545 6.020 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2OC)cc1 651861 SGMAZDUURFNMBO-RFBIWTDZSA-N 442.471 5.103 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 711899 BRIOINWOBOGTMV-SSVHHLKVSA-N 437.926 5.764 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 824686 PIXNJRVXZQYFHN-UQBPGWFLSA-N 446.522 5.514 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)C(=O)N(c1cccc3ccccc13)C2=O 850658 SWHMSVBJJRTREO-UHFFFAOYSA-N 442.474 6.046 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 874965 ZXHNICARBLRSMB-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O 884474 BANHTYSBZYKXPF-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)c1 1346547 SZMQISFDIBWUED-UHFFFAOYSA-N 430.581 5.036 0 40 IKAB O=C(NCc1ccco1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F 1376706 XSNDQGHNYPCNAV-XMMPIXPASA-N 448.519 5.114 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385968 PRRFPOHEZSLQPE-AWEZNQCLSA-N 443.305 5.715 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1393414 BHBQGKPFHQDINV-UHFFFAOYSA-N 443.812 5.310 0 40 IKAB O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2sc(-c3ccccc3)cc12 1895897 PUKRARBXYFXDSA-UHFFFAOYSA-N 445.569 5.527 0 40 IKAB COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)c(OC)c1 2087689 JNSMSGKEJNFEBA-FGZHOGPDSA-N 426.310 5.697 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cc(Cl)cc2C)cc1 2336001 OMYPOTMQMCIMBX-UHFFFAOYSA-N 434.923 5.421 0 40 IKAB CCc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 2391451 FOFXZXXFJVYFJG-MUUNZHRXSA-N 448.006 6.803 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)c(C)c1 2748230 KPSIGYNSERYEBN-QHCPKHFHSA-N 430.598 6.899 0 40 IKAB CCn1c2ccccc2c2cc(/N=c3\cc(-c4ccc(OC)cc4)oc4ccccc34)ccc21 3647547 KNHSSXPKCUMSJO-GKPLWNPISA-N 444.534 7.469 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 4193591 HUQRNDUHICMJEI-VAXLJGHUSA-N 430.529 5.220 0 40 IKAB Cc1ccc(-n2nc(C)c([C@H]3C=C[C@@H](OC(=O)N[C@H](C)c4ccccc4)C3)c2C)cc1Cl 8624079 HBIPYUGMVCEIFV-FRGLQRNOSA-N 449.982 6.350 0 40 IKAB biogenic,in-vitro O=C(Cc1ccc(Cl)cc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 8831826 OOHJTUZPVSEDBP-UHFFFAOYSA-N 447.774 7.105 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3)sc2c1 8903304 NZUYNMZHASTBRD-UHFFFAOYSA-N 447.969 5.033 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 9064912 QMAYQHUPJGXIJY-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCN(C(=O)c2ccco2)CC1 9156479 OYDPBONFHHKDIL-UHFFFAOYSA-N 431.517 5.047 0 40 IKAB CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9273077 AKDYSUBBXLTFJI-OWSXEPHWSA-N 449.392 6.677 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 9309257 UNGDQELKDFGGIH-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccc(F)cc1 9355417 HOJUOBZONUGVSB-NDEPHWFRSA-N 432.498 6.719 0 40 IKAB CC(C)[C@@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 9387091 DURMWSIALPGTGF-MUUNZHRXSA-N 444.575 5.364 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)o2)cc1 9414325 VPHFETKFAKWUEE-UHFFFAOYSA-N 439.265 5.601 0 40 IKAB O=C(Nc1ccccc1SCc1ccccc1)c1ccc(NC(=O)c2ccco2)cc1 9548399 UNOZIIPDXBWKFW-UHFFFAOYSA-N 428.513 6.077 0 40 IKAB Cc1cc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)s1 9841689 ZHEFJWMMTKXYFF-NSHDSACASA-N 428.337 5.205 0 40 IKAB C[C@@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 9953739 LHERIPJZZSBDJP-GOSISDBHSA-N 440.572 5.241 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 11328273 TYPLMWATMIDQIP-UHFFFAOYSA-N 426.451 5.595 0 40 IKAB COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 11865228 HBSXUOCCDMOJDS-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2ccccc2)on1 11916500 MJUPQWSNTGPDAP-UHFFFAOYSA-N 432.501 5.808 0 40 IKAB Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 12192609 ZDVFMUKSJKBTKY-IFMALSPDSA-N 429.734 6.889 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2C(F)(F)F)ccc1Cl 12226644 GRBXPMSPEWYDTH-UHFFFAOYSA-N 426.822 5.033 0 40 IKAB CCCCOc1ccc(C(=O)NC[C@@H](Cc2ccccc2)c2ccc(OC)c(OC)c2)cc1 12410714 QEDQQQNPVPACDE-XMMPIXPASA-N 447.575 5.639 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)C2=O 12719710 YGBQOUNQDOEMKJ-JUUAGTPSSA-N 445.430 6.880 0 40 IKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 12989070 UBEWULPZXLXIJH-UHFFFAOYSA-N 432.332 5.496 0 40 IKAB CCCOc1ccc(NC(=O)NCC(=O)N[C@@H](CCC)c2ccccc2)cc1OCCC 13018876 HTYFBHNVRHPVHV-NRFANRHFSA-N 441.572 5.043 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1 13025914 TWRWNUPJVZJUGR-RUZDIDTESA-N 446.547 5.352 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 13098412 LZJPZRASLCBUEO-TXEJJXNPSA-N 446.520 5.062 0 40 IKAB CSc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 13778076 RXIZSCQLCKFSKA-HPNDGRJYSA-N 440.593 7.486 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 14739592 SOOOECZBZWWSTD-UHFFFAOYSA-N 434.989 5.199 0 40 IKAB COc1ccc(-c2csc3ncnc(NC[C@@H](c4ccc(OC)cc4)N(C)C)c23)cc1 15346188 BZXKYCCSISXOKS-NRFANRHFSA-N 434.565 5.090 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 15413077 RWIWMDCUMXKKKF-AREMUKBSSA-N 428.532 5.248 0 40 IKAB CCOC(=O)c1c(C2CC2)csc1NC(=O)Cn1c(SC(C)C)nc2ccccc21 15912156 NKXYDZSYFQYJIU-UHFFFAOYSA-N 443.594 5.291 0 40 IKAB COc1cc(OC)c(C(=O)CN(C2=NCCCC2)c2cccc(C)c2)cc1Br 16769172 NUMAEFREWYJNHL-UHFFFAOYSA-N 445.357 5.046 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c(C)o2)cc1 17051834 XXJYZYUFBAGYBE-UHFFFAOYSA-N 443.528 5.602 0 40 IKAB Fc1ccc(Nc2nc(Nc3ccc(F)cc3)nc(N3CCc4ccccc4C3)n2)cc1 17096833 ZFDLXVAAZRGJOI-UHFFFAOYSA-N 430.462 5.200 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 17098935 IUHOYNYUVOPMJX-INIZCTEOSA-N 434.517 5.065 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 17098996 ROKQJWDLAQFYMK-UHFFFAOYSA-N 434.543 6.477 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C)c(C)c2)cc1 19947008 MWGMGLRYRVTWAD-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCc1cccc(F)c1)CO3 20610040 CQHJSPAQTFSUJP-UHFFFAOYSA-N 443.518 5.534 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccccc2Cl)o1 21580679 RBZGHWZDJFOJRD-UHFFFAOYSA-N 443.890 6.404 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)cc2)n1 23012396 HGASNTUXHCXJHU-NRFANRHFSA-N 435.549 5.055 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 23830598 XSCWMZVFRMBYCP-VWLOTQADSA-N 433.527 5.001 0 40 IKAB Nc1c(Cl)cc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1Cl 24760256 WACBCJPDOLQKNM-UHFFFAOYSA-N 433.192 5.172 0 40 IKAB CC(C)CCC[C@H](C)CCOc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1C=O 25758110 JMACLBZCZVVLDQ-PSWAGMNNSA-N 446.672 7.774 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 26829454 RFFYCFQYWGCQFK-SFHVURJKSA-N 447.585 5.745 0 40 IKAB Cc1sc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)nc1-c1ccccc1 32124858 NIANZPVJNZAJCS-UHFFFAOYSA-N 443.528 5.658 0 40 IKAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 35684952 UXYIDMPRWSSANC-QGZVFWFLSA-N 428.414 5.357 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](c2ccc(F)cc2)C2CCCC2)cc1C 36397635 FHAZQYBRHYTXFB-HSZRJFAPSA-N 438.572 5.163 0 40 IKAB O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1csc(-c2ccccc2)n1 38486322 IMUNCXDBQVEPMP-UHFFFAOYSA-N 427.533 5.120 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 39944127 WHJCOBIQSLFYJH-AREMUKBSSA-N 449.639 5.544 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCc3ccccc32)cc1 44900095 QOMPVIGGYQWPGL-UHFFFAOYSA-N 430.857 6.174 0 40 IKAB Cc1ccc2c(Nc3ccc(C(F)(F)F)cc3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005183 HIBOMKGTBACGTO-OAHLLOKOSA-N 428.458 5.715 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c1 57488247 IWMAZQIDPJPPKA-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 57774800 MUQTZNFKVHLTEF-XMSQKQJNSA-N 448.438 6.037 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)N(CC)c4cccc(C)c4)nccn3n2)cc1 67290303 YNZCPPWJNOGZQM-UHFFFAOYSA-N 446.576 5.249 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 72370044 NDARRHWQEHCKNI-RCZVLFRGSA-N 443.522 5.376 0 40 IKAB COC(C)(C)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O 96171881 STQXVIBLYBVMDI-UHFFFAOYSA-N 442.191 5.988 0 40 IKAB CC(C)[C@@H]1C[C@@]2(c3ccc(Cl)cc3)O[C@@H]3[C@@H]1[C@](c1ccc(Cl)cc1)(OC3(C)C)O2 100147471 SUSZLTGGPRLULV-APTBEKPVSA-N 433.375 6.516 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@H]1C[C@@H]2CC[C@@H]1C2 101987104 ZEEBCJUOMAGHTR-QFHJOOASSA-N 427.504 5.704 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 222695569 GMNNEBVNGQMTOH-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837765 XRRVXTZNDSRPRV-HXUWFJFHSA-N 438.999 5.307 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 223093391 VVZRPFUQSRYLKY-DQEYMECFSA-N 436.669 6.310 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 223210481 XNEKLZIOUKVWOG-UHFFFAOYSA-N 426.409 5.854 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223825940 CATOOWRQMFEEOY-LOSJGSFVSA-N 440.572 5.448 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975636 JVVBWKDSSYSGKI-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 224116001 YNAUJWAXEDIDCF-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224174364 JADULSYAVOXQTM-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406583 CUEAYQGFANBTRC-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)ccc1F 224910113 XJXTVYWMPKZTFM-BJKOFHAPSA-N 447.510 6.105 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc4c(c3)OCO4)c2)cc1 225377293 NCMVVNCMRHWHRQ-UHFFFAOYSA-N 446.572 5.430 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225378571 QRYQGYVHSFPGCR-DEOSSOPVSA-N 441.015 5.181 0 40 IKAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520856 UOQBYQLTEMLLMZ-OAQYLSRUSA-N 438.587 5.920 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 225701312 FLQKJPYKHMROIB-RUZDIDTESA-N 443.616 5.697 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2cccnc12 225878331 IDUPPNGEDQSMSB-UHFFFAOYSA-N 434.536 5.109 0 40 IKAB O=C(N1CCC(Cc2cccc3ncccc23)CC1)C1(Cc2ccc(F)cc2)CCOCC1 257204051 ASWJZRQADCRSFZ-UHFFFAOYSA-N 446.566 5.195 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1Cl 408560155 CGRRHRGYZPRHBT-UHFFFAOYSA-N 436.968 5.426 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(Cl)cc2)cc1 408698818 PVMVUVBEPGCSCF-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Br)cc(Br)c2OC)C1=O 409058208 JEINRMRPOPKZMS-GHXNOFRVSA-N 449.164 5.057 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 409072185 MHZQBANDBQVACH-JLPGSUDCSA-N 445.946 6.561 0 40 IKAB CC[C@H](CO)NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 707005 BXSIGACMNDJOKU-JWQCQUIFSA-N 442.603 5.314 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 879300 FNHJSXAETMNXAE-UHFFFAOYSA-N 443.572 5.326 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 883201 QUTOQTJUAQTFEG-SFHVURJKSA-N 431.561 5.067 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)c1 1320437 XUTUOYNCZCGMBR-NDEPHWFRSA-N 427.544 5.236 0 40 IKAB Cc1cccc(C)c1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1798712 LLFUMAZSQCYTQR-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB O=c1oc(-c2ccccc2)nc2ccc(-c3ccc4nc(-c5ccccc5)oc(=O)c4c3)cc12 1814811 APEKLYZVDBXPCS-UHFFFAOYSA-N 444.446 5.690 0 40 IKAB biogenic O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 2052219 HLBQIBOPSMCJFQ-UHFFFAOYSA-N 429.589 5.322 0 40 IKAB O=C(c1ccc(C2CCCCC2)cc1)c1sc(N2CCOCC2)nc1-c1ccccc1 2141444 CSJZQFXXMSRJTA-UHFFFAOYSA-N 432.589 5.925 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 2256488 QUCLTTRYVNDGBS-DHIUTWEWSA-N 442.519 5.699 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3cccc(Cl)c3)ccc12 2416730 INNVWEFDJNSGIQ-UHFFFAOYSA-N 430.809 6.711 0 40 IKAB biogenic O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 2640165 KOPQJVDHRFEWCO-JOCHJYFZSA-N 445.935 5.513 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 2691348 KMFQPINCYLNFRH-UHFFFAOYSA-N 425.463 5.682 0 40 IKAB Clc1ccc2nc(-c3ccccc3)c(-c3nc4ccccc4s3)c(-c3ccccc3)c2c1 3317627 NZCDPTFNIVDIFI-UHFFFAOYSA-N 448.978 8.499 0 40 IKAB COc1ccc(/C=C\C[C@@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 5765667 XJCYHVVLLSSJHZ-VXCFIXFDSA-N 430.500 5.828 0 40 IKAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1cc2ccccc2oc1=O 6907008 SNLMPMGNJIYVJB-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 8383512 GXKFLPQLRDEUCE-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 8752576 XPPQFZAOPVXNOK-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 8845311 QQQIMHIELZDMHA-VWLOTQADSA-N 449.551 5.171 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3)C3CCCCC3)n2)cc1OC 9095298 SKSNXELAEGVQRI-UHFFFAOYSA-N 435.524 5.037 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1Cl 9250403 PQUGQYQICUNYLN-UHFFFAOYSA-N 440.952 5.278 0 40 IKAB CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3F)c2c1 9305901 BFHUZWFCSCGGSO-UHFFFAOYSA-N 441.458 6.721 0 40 IKAB biogenic Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 9340127 MIMISNLPDYDIBC-UHFFFAOYSA-N 428.419 5.230 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Br)cc1 9382418 MHFOPWTYOVWZHE-GOSISDBHSA-N 446.348 5.368 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccco3)Sc3ccccc32)cc1 9414596 HWXNVONTSGFZSS-HSZRJFAPSA-N 434.561 5.831 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(Cl)cccc1Cl 9516411 PPMILXJRUBQWPR-SNVBAGLBSA-N 439.393 5.768 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 9663519 GBUXZIKVSPDXKV-QHCPKHFHSA-N 446.551 5.500 0 40 IKAB Cc1nn2c(=O)cc(CSc3nc4ccccc4s3)[nH]c2c1-c1cccc(Cl)c1 10338911 SADHKUXQGMZCNL-UHFFFAOYSA-N 438.965 5.553 0 40 IKAB CC[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1 10423593 QQQPJQVEOGKENL-DEOSSOPVSA-N 434.967 5.613 0 40 IKAB CC(=O)N(c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1)c1cccc(C)c1C 10632932 LHTMFWTWZWSFAC-UHFFFAOYSA-N 433.533 5.212 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2cnc3c(cnn3C(C)C)c2)cs1 10764088 PWYUYJNESASBST-CMDGGOBGSA-N 433.537 5.008 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)OCC(=O)Nc2ccc(C)c(C)c2)cs1 11595425 DDMODMIJQKTYOL-UHFFFAOYSA-N 426.563 5.156 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 12064376 YBAMZFSBCZSUDA-JOCHJYFZSA-N 428.513 5.277 0 40 IKAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC 12185688 QBIGXVAZKCIBGX-OAQYLSRUSA-N 440.515 5.624 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2cccc(Br)c2)N1 12559607 HGQHHJBWPXDANG-NRFANRHFSA-N 445.320 5.248 0 40 IKAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 12599383 JYKFBMVOAOFWHI-IIBYNOLFSA-N 438.572 5.557 0 40 IKAB C[C@@H](NCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 12648105 BRVSVTFBRMTSJV-LJQANCHMSA-N 425.561 5.637 0 40 IKAB Cc1oc2cc3oc(=O)c(CC(=O)NCCCOC(C)C)c(C)c3cc2c1-c1ccccc1 12887644 XYJYLTZYEKRCND-UHFFFAOYSA-N 447.531 5.297 0 40 IKAB biogenic CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC 12934865 CNWBPNFDOMSJNV-OAHLLOKOSA-N 444.984 5.767 0 40 IKAB COc1cccc(CN(C)C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1 13131700 FVCPHQQRDWBMOZ-UHFFFAOYSA-N 429.545 5.056 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 13137816 ZUAKENVMOJOSFB-INIZCTEOSA-N 440.594 5.567 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1ccccc1OC 13500053 KEOQVKOWVKYGSN-UHFFFAOYSA-N 443.551 5.783 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 13578815 MLMOOEYZXAOIBZ-NRFANRHFSA-N 431.517 5.063 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2CCCc3ccccc32)ccc1Cl 13649017 OHXQOTXMEHCNQG-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1 13893560 DOUQRAZQULJOIK-KRWDZBQOSA-N 446.503 5.168 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1c1ccc(OCc2ccccc2)cc1 14008835 AWXURDJGBYWFFF-LJAQVGFWSA-N 444.534 6.805 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccc(C)cc1 14082248 UZPTXOVGDWHMNP-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14399739 DZJDTRSEQVVEOJ-ZDUSSCGKSA-N 443.712 5.276 0 40 IKAB COc1ccc(C(=O)C[C@H](Nc2cccc(Cl)c2)c2ccc(Br)cc2)cc1 16216205 SIFSLADLZGYULJ-NRFANRHFSA-N 444.756 6.537 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Cl)nc2c(-c3ccccc3)csc2c1=O 16846654 KYVPYBWEMDKFNV-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 17097267 WURUFLALLNJECP-UHFFFAOYSA-N 430.935 6.322 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 17099839 HFWXJKDSRAWTKM-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 19236832 GRWXCKRXPOPWKB-CPJSRVTESA-N 435.518 5.052 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3)nc2c1 19638900 FLTCRPOKLDDDHA-QGZVFWFLSA-N 443.572 6.444 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@@H]1c1ccc(Cc2ccccc2)cn1 19688428 PRZTXXHEZBBYSP-AREMUKBSSA-N 427.523 5.507 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3o2)cc1 20411186 AZQYKRCDLPRBDR-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 22273845 OVIGKNDOFMAKFZ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Sc3ccccc3)C(=O)O2)cc1 27572899 UBPVHAICXBLGJG-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB O=C(CSc1nc2ccccc2o1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 27814568 ARSFQVXIEQFJGY-KRWDZBQOSA-N 433.558 5.411 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32111936 FFGIESKRVHDDTA-SFHVURJKSA-N 442.515 6.423 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 32675354 ITAUVHRNEHROPH-YZXVOZQKSA-N 429.470 5.797 0 40 IKAB Cc1ccc2nc(CSCC(=O)Nc3ccccc3Sc3ccccc3)cc(=O)n2c1 33047560 LTFLZNUNMHUVBC-UHFFFAOYSA-N 447.585 5.026 0 40 IKAB O=C(/C=C\c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 34854686 CJQKVTCNZNGYMR-IANXMLMNSA-N 432.907 6.362 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)cc1 35645097 DUHIOZJXMXDCSK-HYARGMPZSA-N 434.948 6.310 0 40 IKAB O=C(Nc1sc(NC(=O)c2cccc3ccccc23)nc1-c1ccccc1)c1ccccc1 35671733 WOUCWXPJJFQHCB-UHFFFAOYSA-N 449.535 6.468 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1OC 35982176 LWTDUWPNTJNGAZ-NLFFAJNJSA-N 434.467 5.094 0 40 IKAB O=C(Nc1ccc(NC(=O)N2CCc3ccccc3C2)c(C(F)(F)F)c1)c1ccoc1 40120562 HHJRUSQHXBYQMQ-UHFFFAOYSA-N 429.398 5.141 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)[C@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@@]3(C)[C@@H]2C1 40980852 HFSACQSILLSUII-ISSAZSKYSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(Cl)cc2)CO4)cc1 61997712 RJZPWYNOHDWJBH-UHFFFAOYSA-N 447.918 5.783 0 40 IKAB biogenic Cc1cccc(O[C@H](C)C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C2CC2)c1 72295965 AMYXSWIICAPHBV-GOSISDBHSA-N 443.522 6.200 0 40 IKAB Cc1sc2nc(C(C)C)n([C@@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)c(=O)c2c1C 72347718 UEPOJFLNFYGHMD-HXUWFJFHSA-N 449.620 5.094 0 40 IKAB Brc1nn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c2cccnc12 89219942 YWRPVSWTHHUGMT-UHFFFAOYSA-N 440.344 6.034 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@@H](C)[C@@H]4C[C@H]5CC[C@H]4C5)cc3)ccc12 102312943 XAGCOIJCLBJNPK-FSJWIPBVSA-N 431.532 5.235 0 40 IKAB COC(=O)c1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1 102649814 SFMNJJGEYIVAIA-DEOSSOPVSA-N 446.547 5.922 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1Cl 107031409 WMOQGDNAZNPKPN-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1C/C(=C\c1cccc(Br)c1)[C@H]2O 118916295 NKLBOHZLKULONG-NPJSJGGISA-N 443.469 7.236 0 40 IKAB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=C1C)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118931322 VWSVBIDALISGLC-UFRMYEDUSA-N 442.728 8.350 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc(F)cc(F)c1 169527635 QMVJOBQJLOCTQV-LIOHBJMPSA-N 439.461 5.388 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1 214148127 ODSFYRMYBMAHHX-XDHOZWIPSA-N 429.419 6.202 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547597 GIJPTNDPXSOYLT-KNQAVFIVSA-N 444.641 5.023 0 40 IKAB COc1ccc(-c2ncc(C(=O)Nc3ccc(OCc4ccccc4)cc3)c(C)n2)cc1 222576661 HYVJHYWHUJDIQK-UHFFFAOYSA-N 425.488 5.292 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 222752278 XYOHPVGMIUNZHW-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 222941825 WLGIQIQHDTVQFI-FQEVSTJZSA-N 441.959 5.504 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223103801 VWZDCDNVXXHUCG-CYBMUJFWSA-N 425.326 5.004 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 223227218 DOOKBVVDVPPDRH-IBGZPJMESA-N 445.003 5.176 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1 223638140 UZLVCTJEXPBIHW-UHFFFAOYSA-N 433.913 5.340 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCCC1 224162494 RJVXDBBHPRXCBQ-DQEYMECFSA-N 430.621 6.182 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 224422183 KWOIEFWOVPIVQG-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224512809 WWZQWSSENTVGBS-QFIPXVFZSA-N 430.592 5.004 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224574834 UNDUDHYAHUFUDY-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cc(C)cc(C)c1 224813959 HXNZEPWSMWDNCU-IBGZPJMESA-N 447.044 5.134 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 224944876 CGSQLXDBTRHJRX-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225092494 BZYQXBUISWMWIV-SANMLTNESA-N 434.624 5.411 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NCc1ccccc1 225262209 HJPDTLNLWRWXGX-UHFFFAOYSA-N 442.943 5.281 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225306723 IMVYDMKMMNMHKW-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 225546505 HNUAOBKMWHMHIT-OFVILXPXSA-N 446.591 5.249 0 40 IKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225569032 LLSDSRGXICQXDY-UHFFFAOYSA-N 441.822 5.809 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)c1 225701138 ZUZBECGZBJAENB-VWLOTQADSA-N 429.589 5.506 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225720565 NGSNYAZQFCIPFA-DEOSSOPVSA-N 440.653 5.177 0 40 IKAB Cc1noc(C)c1C(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 257241140 HWTADWSTSSWJRL-GHTZIAJQSA-N 444.959 5.116 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)cc1 408562388 PHGKUYZUOUIVRH-LNVKXUELSA-N 429.383 5.611 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2c(Cl)cccc2Cl)c1 408576745 QWCNKNKMPXGLEE-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 408668217 VUKOSAZWBNULNH-PJYWLYPCSA-N 448.349 5.401 0 40 IKAB Cc1cccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c1C 408671685 KZAGNBLYHMFNFG-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB COc1cccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1OC 408969292 KXFDTRPFQSUNMW-JYRVWZFOSA-N 434.300 5.570 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(F)cc2)cc1 409096092 JKFAPXBTZYBJJG-UHFFFAOYSA-N 439.943 6.206 0 40 IKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 409133316 SCHQQNZANZZDMT-HAVVHWLPSA-N 437.370 5.883 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 409412378 VOSWSPLZZQCYIK-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB COc1ccc(-c2cc3ccc(O)c(Cc4coc5ccc(F)cc5c4=O)c3oc2=O)cc1 585152442 FLEIAFUOCZWKNP-UHFFFAOYSA-N 444.414 5.011 0 40 IKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c1 2037872766 MQHAOFYKHYSOSI-UHFFFAOYSA-N 430.479 5.485 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 640190 REOAFLMBSBJHRF-VWLOTQADSA-N 434.561 5.738 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 661260 ROYZBAIEJDQIGU-HNNXBMFYSA-N 431.561 6.320 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 790078 YKTMWBPEQIBYCX-UHFFFAOYSA-N 440.528 5.139 0 40 IKAB O=C1O[C@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 996285 BRUMUGYSRIAMRC-OAQYLSRUSA-N 442.254 5.238 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3)nc3nc4c(cc3c2=O)COC(C)(C)C4)c1 1248963 RCNCBXMNACKTMD-UHFFFAOYSA-N 443.572 5.233 0 40 IKAB CCOc1ccc(Nc2nc(Cc3nnc(SCc4ccc(C)cc4)o3)cs2)cc1 1332936 RYCFJVCKBSWRSY-UHFFFAOYSA-N 438.578 5.860 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 1960882 ZZZWPQBVGQQPIZ-NTUHNPAUSA-N 442.298 5.981 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccc(C)cc1 2063153 CHBXJRHSOUFLBO-FMIVXFBMSA-N 439.627 6.818 0 40 IKAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c(OC)c1 2095676 XPWHZBPZAHGMIH-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic Cc1ccc(C)c(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 2274253 QAAGYJYOEGHRSO-UHFFFAOYSA-N 446.978 6.501 0 40 IKAB CCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl 2594744 SPYOLSJEEZDIMQ-CYBMUJFWSA-N 429.973 6.275 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C 2619711 XFZMUDSAKWIYBF-UHFFFAOYSA-N 428.561 5.289 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)c2n1 2660432 UHBZMUNUYAATGA-MRXNPFEDSA-N 447.362 5.709 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)CCc2ccccc2)cc1 2721173 DAFJOQRSINYNDZ-UHFFFAOYSA-N 430.573 5.685 0 40 IKAB S=C(Nc1ccccc1Sc1ccccc1)Nc1ccccc1Sc1ccccc1 2807730 GXXXDSCUKZOUDO-UHFFFAOYSA-N 444.650 7.798 0 40 IKAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccc(OCc2ccccc2)cc1 3272032 FUSMRLZKFZGNRU-UHFFFAOYSA-N 437.495 5.514 0 40 IKAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n(-c2ccc(Cl)cc2)n1 3292866 PBYOHHONECNSTM-UHFFFAOYSA-N 436.751 6.608 0 40 IKAB COC(=O)[C@@H](OC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1 3353955 JDWGIOXYHBZJQG-IBGZPJMESA-N 440.908 5.120 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 3358960 RFQWWDOMKDMOMT-FQEVSTJZSA-N 449.463 5.077 0 40 IKAB c1ccc(COc2cccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c2)cc1 8397636 NROMPVSVWHCGPF-YTMVLYRLSA-N 432.523 6.508 0 40 IKAB O[C@@]1(c2ccccc2)c2cccc(Cl)c2[C@](O)(c2ccccc2)c2cccc(Cl)c21 8453490 OXZHORJEIJPDMT-UIOOFZCWSA-N 433.334 5.875 0 40 IKAB COc1ccc2nc(SCc3csc(N(C(C)=O)c4ccccc4F)n3)[nH]c2c1 8746446 DWJBEXMENIJEEB-UHFFFAOYSA-N 428.514 5.144 0 40 IKAB COc1ccc(-c2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1OC 8748228 CQGVELIAUGUEDO-UHFFFAOYSA-N 446.528 5.801 0 40 IKAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)c2ccccn2c1C(=O)c1ccccc1 8766581 CBLZWPQCDIYIMF-UHFFFAOYSA-N 429.932 6.196 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@H]3CCCN3c3cc(C(F)(F)F)ccc32)cc1 8781589 NBHRNDADJIXESO-QGZVFWFLSA-N 438.515 5.181 0 40 IKAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OCCO2 8854452 QHSPZQRXYMTFAQ-UHFFFAOYSA-N 432.954 5.041 0 40 IKAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1Cl 8880126 AJSJNIHPUSGEGD-BQYQJAHWSA-N 440.830 5.164 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 8903850 SNNPWGWEVQJGSH-UHFFFAOYSA-N 432.476 5.553 0 40 IKAB CCCCN(CCCC)c1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 8951290 RQLYXTICVMYTGV-UHFFFAOYSA-N 440.657 6.450 0 40 IKAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 9329384 YQOGHPZQDNOPIP-JOCHJYFZSA-N 436.471 5.100 0 40 IKAB Cc1[nH]c2ccc(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)cc2c1C 9552176 NPXXXKPKDHBCKS-UHFFFAOYSA-N 425.699 5.540 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccco1)C1=CCCCC1 9578559 LSGKQXLCWNMEHB-UHFFFAOYSA-N 430.504 5.397 0 40 IKAB CCc1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Br)cc4)c3c2c1 9675915 QDICELXEQXMHGV-UHFFFAOYSA-N 442.360 6.874 0 40 IKAB CC(C)c1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCOCC3)n2)cc1 9708836 MAQUZRJCJTVXHO-UHFFFAOYSA-N 442.926 5.111 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3Cl)oc2C)cc1 9884765 XTWUUCFDSKZSAD-UHFFFAOYSA-N 436.817 6.138 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)c1 9908147 KSUCJXWOYJQGEJ-UHFFFAOYSA-N 427.529 5.473 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 11327495 HOGZYDTYKXJCTD-UHFFFAOYSA-N 425.488 5.538 0 40 IKAB CC(C)[C@@H](O)P(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C 11667447 ITBZCTBEJMCLOU-ZYSQEBTGSA-N 430.610 7.109 0 40 IKAB COc1cc(C(=O)Oc2ccc3oc(=O)c(-c4ccccc4)c(C)c3c2)cc(OC)c1OC 11866192 HGYIKKPERCITRY-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@@H](C)Cc3cccs3)cc2)n1 12257168 PNROYQHIXHWQMS-KRWDZBQOSA-N 428.561 5.071 0 40 IKAB O=C1/C(=C\Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 12312260 PQPWLVDAOBTYCZ-NDENLUEZSA-N 443.717 6.287 0 40 IKAB O=C(CCc1ccc2c(c1)OCO2)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 12692591 KSJTYTITHRUSCU-UHFFFAOYSA-N 435.332 5.341 0 40 IKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 12748959 ZKPFDGFTSOIWBF-CYFREDJKSA-N 447.629 5.443 0 40 IKAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccccc1Br 12752811 UDKQHYOBRQRNHD-LBPRGKRZSA-N 444.354 5.200 0 40 IKAB C[C@H](N[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 12819988 GMTSBLUBYCPENM-DLBZAZTESA-N 429.589 5.942 0 40 IKAB O=S(=O)(Nc1nc2ccccc2n1Cc1ccccc1)c1cc(Cl)ccc1Cl 13057405 JZICJMZONHRNDY-UHFFFAOYSA-N 432.332 5.192 0 40 IKAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cccc3C(F)(F)F)n2)cc1 13062673 XUWRKGQWLLVGTC-UHFFFAOYSA-N 440.878 5.437 0 40 IKAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 13940098 YDCRLAQQWBEVNA-AREMUKBSSA-N 433.935 5.471 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C(N)=O)C1 14273333 YWXIWPJNSJBPKB-SNVBAGLBSA-N 449.359 5.791 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1 16035304 ONGBVFRZOSFGJL-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc2ccccc2c1 17101485 UVISOPIJSONFJO-UHFFFAOYSA-N 437.524 5.453 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cccc(Br)c1 17149856 STDDPMXQNDMPPZ-UHFFFAOYSA-N 444.173 5.649 0 40 IKAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 19082283 ZCRCAFFPDJPSJH-NXHRZFHOSA-N 426.527 5.113 0 40 IKAB Cc1cnccc1C(=O)N1CCC[C@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19239421 BHHYXXAVOSAUQH-AWEZNQCLSA-N 432.446 5.088 0 40 IKAB CCC(CC)C(=O)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19500085 CTKFOQOEABRWOK-LJQANCHMSA-N 433.531 5.173 0 40 IKAB C[C@H]1CCC[C@@H](C)N1c1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)n1 19637808 SBVFXUVZTQWDRG-GASCZTMLSA-N 443.382 6.433 0 40 IKAB CCOc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(C)c(C)c1)C(=O)N3C(C)(C)C=C2C 19647844 SDBYCIVXGBJPKS-AREMUKBSSA-N 448.588 5.177 0 40 IKAB CN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C(C)(C)C)C2 19908561 NMPDSIZNJLGZDF-AWEZNQCLSA-N 448.032 5.305 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1Br 20142332 OWPQRYWZJQCLTH-UHFFFAOYSA-N 433.085 5.105 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CN1CCCCC1 20265839 LCSYSFBFQJRYFP-HZHRSRAPSA-N 431.561 5.169 0 40 IKAB Cc1ccc(C(=O)Nc2cccnc2NCCNc2ncc(C(F)(F)F)cc2Cl)cc1 20366016 GTPDGFPHZALFAV-UHFFFAOYSA-N 449.864 5.234 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c(Cl)c1 21578889 CWKURMRKEOJLQY-UHFFFAOYSA-N 448.950 6.708 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(C(=O)O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 27517381 QJUQBYMZJRWYDP-BBFSHJNKSA-N 432.645 6.793 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccccc2Br)c2c[nH]c3ccccc23)cc1 27746118 JKSQNHAUMGNWQN-HXUWFJFHSA-N 449.348 5.501 0 40 IKAB CC(=O)c1ccc(N(Cc2cc(-c3ccccc3)on2)S(=O)(=O)c2ccc(C)cc2)cc1 32764958 GEULODBRAROPCL-UHFFFAOYSA-N 446.528 5.248 0 40 IKAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cc(C)ccc1C 33013054 ZRWQJKIZVUQVPR-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1ccc(C)c(Sc2cc(N3CCC(C(=O)NCc4ccccc4C)CC3)ncn2)c1 33312066 YOAWPNJPXDWINI-UHFFFAOYSA-N 446.620 5.086 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33508034 UPYPECPVEYWPLK-UHFFFAOYSA-N 428.941 5.507 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Br)cc1 33717987 PXBRBGNTACZANW-UHFFFAOYSA-N 448.426 5.834 0 40 IKAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501293 QRPNCDXYBHBEPO-UHFFFAOYSA-N 431.467 5.160 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc(F)c(F)c2)nnc1-c1cc2ccccc2o1 39757701 JOIQWEWLONPVGB-UHFFFAOYSA-N 428.464 5.281 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 44792246 OATKCQBTCXRJJW-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 63903833 GKFFRASLSZQUFO-UHFFFAOYSA-N 425.699 5.882 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 72346278 CFSKRTYIOUYDIY-XMMPIXPASA-N 425.536 5.246 0 40 IKAB CN1CCC[C@H](c2cccc(CC3(C(=O)N4CCC5(CCCCC5)C4)CCOCC3)c2)C1 72372261 CJGKMZUIZPGCDH-VWLOTQADSA-N 438.656 5.018 0 40 IKAB O=C(N[C@H](c1cccnc1)c1ccc(F)c(F)c1)c1csc(-c2ccccc2F)n1 78418066 MWVDJYGRTHBXHL-FQEVSTJZSA-N 425.435 5.142 0 40 IKAB Cc1cc(NC(=O)[C@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1 100776179 YGJBUOIHEQKSNE-SFTDATJTSA-N 431.323 5.201 0 40 IKAB COc1cc([C@@H]2Nc3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)ccc1O 102743976 ARMOYIVKYFSWTF-RBZFPXEDSA-N 438.871 5.066 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1NS(=O)(=O)c1ccccc1 107660818 IYOONMUQXXGBFU-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215279240 TUVPIUCPRMYPNG-AYSLTRBKSA-N 442.707 5.612 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 222544349 LHDGOPWSRSYYOL-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223223430 VMOWVEBZQVSWQC-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223413642 HYDQKMBNSKQKNX-ZEQRLZLVSA-N 432.593 5.016 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223441384 DIOVLURMOAEBIS-XMMPIXPASA-N 440.603 5.604 0 40 IKAB CCc1cc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC 223681786 BZTGMXMWQCNHBS-UHFFFAOYSA-N 425.594 5.526 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1C 224263393 PPCVSRDOZNBMOQ-RPWUZVMVSA-N 428.561 5.318 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1CSc1ccc(Cl)cc1 224675237 NFSVRNUAEPOJCC-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCCC1 224807637 PEZVMVBUGDRSPW-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029060 YQLYQDCJHYDOGD-GOTSBHOMSA-N 447.560 5.263 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)n1 225287021 OTKIMLSEYRDQBM-UHFFFAOYSA-N 427.573 6.093 0 40 IKAB CSc1ccccc1C(=O)NCC1=N[C@H](c2ccccc2)c2ccccc2-n2cccc21 225376288 SVYCFOAGBYMGHR-AREMUKBSSA-N 437.568 5.521 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H]2c1ccc(Cl)cc1 245241917 UCLWIBNAFORYLW-COZQAFJOSA-N 440.971 5.670 0 40 IKAB CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6CCCCO6)CC[C@]5(C)[C@H]4CC[C@]23C)OCCO1 253498619 DNWMPSZEZKPTQK-GLUAJHGWSA-N 444.656 6.240 0 40 IKAB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 253505352 JVRUDYNTKOCRNP-AEIUUNQSSA-N 436.592 6.107 0 40 IKAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408572629 HMBJSGNVEHHTSA-KRWDZBQOSA-N 440.392 5.415 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1 408573799 KPASLXWCNQODAJ-UHFFFAOYSA-N 429.944 5.922 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1 408596387 RYXLAWWDWYFZJZ-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408606877 MMMSXIZFBXEYDS-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(Cl)cc3C)sc2n1 408620920 MVIAGNAMSKJECH-UHFFFAOYSA-N 433.002 5.618 0 40 IKAB CCCc1nc(S/C(=C\c2c(-c3ccccc3)[nH]c3ccc(OC)cc23)C(=O)O)n[nH]1 408633082 VUKYBROFYOSVBR-UYRXBGFRSA-N 434.521 5.132 0 40 IKAB CCCOc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)cc1 408635105 YUZVALUWYAJCOG-XMHGGMMESA-N 443.956 5.625 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c(C)c1 408667111 QBXBIWXCDAEXQC-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc3[nH]c4ccccc4c3c2)S1 408812052 LBJSJJDBQQKURP-UHFFFAOYSA-N 434.928 5.746 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409054523 BEONBHBKQLDJBH-ODLFYWEKSA-N 436.360 6.409 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 409061378 WRPUQPCRLKSUTF-IWIPYMOSSA-N 440.524 5.939 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409115432 MKXOLBUZEIGUOP-UHFFFAOYSA-N 426.310 5.647 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409115763 HCRBUFRYRAEUMS-DQFUCLPLSA-N 444.578 7.389 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409130570 IAPVTLDOCCDDMF-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccccc1Cl 409203686 YNOKWLPEBWPJGM-UHFFFAOYSA-N 437.992 6.052 0 40 IKAB CSc1ccc([C@@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4CC(C)C)cc1 524729699 FIRDFFHOSKEHBX-QHCPKHFHSA-N 445.588 5.219 0 40 IKAB biogenic COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@H]2CCCN3CCCC[C@@H]23)C(C)C)cc1 1565519837 JNOSKHWMPVDLKQ-PZUNEJSGSA-N 427.633 5.078 0 40 IKAB biogenic Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2cccnc2)c(C)c1 783401 KLAMCPJQSGJJDR-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1ccccc1C(=O)n1c(-c2ccccc2)cnc1SCC(=O)Nc1ccccc1 1224382 QVVOHBOYPXVVMC-UHFFFAOYSA-N 427.529 5.278 0 40 IKAB O=C(NC[C@@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2121173 FOESLKQBDXHNDH-HSZRJFAPSA-N 441.918 5.500 0 40 IKAB biogenic CCn1c(Cc2cccs2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 2223120 VXPQCFONLQJBER-UHFFFAOYSA-N 434.590 5.348 0 40 IKAB CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@@]12C=Cc1c(ccc3ccccc13)O2 2273596 WUEGPUQZTRXHGZ-NDEPHWFRSA-N 426.560 5.654 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 2452017 ARXXNUCXMMWIQG-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccccc4)n4ccccc34)n2)cc1 3229991 DAMBPGKRCOYKNE-UHFFFAOYSA-N 425.513 5.552 0 40 IKAB COc1ccc(C(=O)COC(=O)CSc2ccc3ccccc3c2Br)cc1 3233320 UVTOBFPOPCNFRU-UHFFFAOYSA-N 445.334 5.129 0 40 IKAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3253847 QYUSSMQBUHWCPX-HNNXBMFYSA-N 428.315 5.696 0 40 IKAB O=C(c1ccc(-c2nc3ccccc3s2)s1)N1CCN(c2ccccc2Cl)CC1 3307047 RKARXEMHIQTASW-UHFFFAOYSA-N 439.993 5.641 0 40 IKAB Cc1sc2ncnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)c2c1C 3332728 JCMSPTXXALLZIJ-QFIPXVFZSA-N 429.570 6.506 0 40 IKAB O=C([C@@H]1[C@H](c2ccccc2)N1C1CCCCC1)[C@H]1[C@H](c2ccccc2)N1C1CCCCC1 4726409 YKMHGWDVZGNAER-QEBQPEIUSA-N 428.620 6.072 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(C2CCCCC2)n1-c1ccccc1 6443335 LQOIVSBVTWTZRL-LJQANCHMSA-N 434.609 6.051 0 40 IKAB COc1cccc(CNc2nc3c(-c4cccc(C)c4)nnn3c3ccc(Cl)cc23)c1 8757094 NDHIEYLKMLBGTA-UHFFFAOYSA-N 429.911 5.527 0 40 IKAB COc1ccc2c(c1)CCc1c-2nn(-c2nc(-c3ccccn3)cs2)c1C(F)(F)F 8777940 WOTKNQGGXKENIK-UHFFFAOYSA-N 428.439 5.184 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Br)c1)N(c1ccccn1)C3=O 8827478 QKBQJRZVIIVBIH-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB COc1ccc(Br)cc1/C=C\C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 8832359 AXIWNGZSMHBGMT-YHYXMXQVSA-N 449.776 5.753 0 40 IKAB Cc1c(Cl)cccc1-n1nc(-c2nc(-c3ccc(Cl)cc3)no2)c2ccccc2c1=O 8857160 JOFOUNGBCQESSA-UHFFFAOYSA-N 449.297 5.718 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8915813 MZZMUKFKLALWSD-KRWDZBQOSA-N 449.913 5.406 0 40 IKAB Clc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2cccnc2)cc1 9308887 SDZPODSOMWDFRZ-UHFFFAOYSA-N 428.948 6.428 0 40 IKAB CCCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 9309117 GJXILYZPCGWGAI-UHFFFAOYSA-N 444.670 6.223 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2cccnc2)nc1 9348611 YXPLWVKLQOSNLM-NRFANRHFSA-N 428.455 5.020 0 40 IKAB C[C@H](c1nnc(SCc2cc3ccccc3nc2Cl)n1-c1ccc(F)cc1)N(C)C 9377655 GVYILOQUJFWCPM-CQSZACIVSA-N 441.963 5.523 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(=O)c4c(C)n(C)c5ccccc45)cc3)sc2c1 9382954 IHSJSGQITVDQBI-UHFFFAOYSA-N 439.540 5.893 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 9713474 ATVNTDPCZWXSFX-UHFFFAOYSA-N 441.375 5.620 0 40 IKAB CCCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(oc3ccccc32)c1=O 9749581 PJSILUSWNXDGGW-UHFFFAOYSA-N 449.576 5.599 0 40 IKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 9793026 BSJVNAWBNFHXKV-QGZVFWFLSA-N 446.601 5.937 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N(Cc1ccco1)Cc1cccs1 9799695 GJYOPGUPYHVUEP-UHFFFAOYSA-N 435.876 5.404 0 40 IKAB FC(F)(F)c1ccc(NC(=S)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 9876862 CAOBWUINUURYIM-UHFFFAOYSA-N 434.314 5.531 0 40 IKAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4C(F)(F)F)c3)cn2n1 12441266 ATNQLTUEKWTSGU-UHFFFAOYSA-N 446.816 5.329 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)NCCc3cccnc3)cc12 12606918 YZAUITNZTVNXED-UHFFFAOYSA-N 445.375 5.129 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Nc2ccc(-c3csc(C)n3)cc2)c(Br)c1 12631728 BXWIUZUQIHDRKE-ZDUSSCGKSA-N 430.371 5.629 0 40 IKAB COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OCC(=O)c1ccc(C)o1 12890555 MFKIBLHCTAOKRD-UHFFFAOYSA-N 448.471 5.257 0 40 IKAB biogenic Cc1ccc(C)c(Sc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)c1 12915820 HCZGHGWFAGOSQV-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 13025549 UOHDDJOFYLRMGA-VWLOTQADSA-N 446.547 5.434 0 40 IKAB Cc1ccc(Cn2c(S[C@H](C)C(=O)N3[C@H](C)CCC[C@H]3C)nc3ccccc3c2=O)cc1 13128425 NYCDSYQGKJMODO-VAMGGRTRSA-N 449.620 5.023 0 40 IKAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c1 13141703 AUFXGXMNQXPWCQ-UHFFFAOYSA-N 425.937 5.904 0 40 IKAB Cc1ccccc1NC(=O)COc1ccccc1/C=C1\SC(=O)N(c2ccccc2)C1=O 13914659 YNIDBUSUTXIBCV-JCMHNJIXSA-N 444.512 5.253 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c(C)c1 13936286 NLSBEHCHTPSJNV-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 14155765 GUBUTVYIIQXULS-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 14270473 GIUWKQQUNZJOOU-UHFFFAOYSA-N 447.585 5.797 0 40 IKAB O=C1C[C@@H](c2cc(Br)ccc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107123 IBHSGVMCGIXWOB-ZDUSSCGKSA-N 446.297 5.489 0 40 IKAB COc1ccc(Cl)cc1C(=O)NC(=S)N(c1ccccc1)c1ccc2ccccc2c1 16226773 YJOFRHXVRZLVHG-UHFFFAOYSA-N 446.959 6.355 0 40 IKAB O=C(Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Br)cc2)o1 16429540 XXKGDUQHXMBTHE-UHFFFAOYSA-N 433.714 6.225 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)c1 17011002 VTUOUORYJXTYES-UHFFFAOYSA-N 439.540 5.459 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17100276 QAICXDIHBAJWJQ-UHFFFAOYSA-N 436.511 5.699 0 40 IKAB CCCCc1ccc(N/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)c3ccccc32)cc1 17969026 IKYNQOFRCDPLBR-LGUFXXKBSA-N 440.543 6.068 0 40 IKAB C[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1c(F)cccc1F 18434726 AHQSKICEIYSQRH-LLVKDONJSA-N 447.557 6.264 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CC4CCCC4)C3)cc2N1 19082325 IHDIYCCTENHPEE-NJAFHUGGSA-N 426.527 5.113 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 19634160 DFBIXBVJXKHURS-GOSISDBHSA-N 441.527 6.299 0 40 IKAB CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711964 ZFNMQDAXRPQCDB-SIKLNZKXSA-N 442.531 5.779 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 20610508 JQAONHLSOZYBSV-UHFFFAOYSA-N 434.927 5.848 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccoc4C)o3)[C@H](c3ccco3)C2)cc1 21171682 LINDDPAMKZXBDQ-IBGZPJMESA-N 448.504 5.009 0 40 IKAB O=C(c1cnn(-c2ccccc2Cl)c1-n1cccc1)N1CC=C(c2ccccc2)CC1 22569922 PJLKWEIBLUONKP-UHFFFAOYSA-N 428.923 5.246 0 40 IKAB Fc1ccccc1-c1nnc(SCc2noc(-c3ccc(Cl)cc3)n2)n1C1CC1 29280958 NFEKYHDAKZXSES-UHFFFAOYSA-N 427.892 5.415 0 40 IKAB Cc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1Br 30768715 KOEOPXYFEWORKG-UHFFFAOYSA-N 430.367 5.149 0 40 IKAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)c1 32116389 OWPGJZCFAVFBAJ-UHFFFAOYSA-N 439.265 5.224 0 40 IKAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 36397533 LUNNRLYDPIBOQQ-CYBMUJFWSA-N 449.885 5.289 0 40 IKAB CCCCC1CCC(C(=O)Nc2cccc(OCc3cc(=O)n4oc(C)cc4n3)c2)CC1 41077231 GQSPUHRNHQOTBZ-UHFFFAOYSA-N 437.540 5.110 0 40 IKAB CC(C)(C)[C@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 57774919 BLHKCTWRIVCSEF-KRWDZBQOSA-N 426.486 6.452 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3c3nc4ccccc4s3)cc2)cc1 58169681 VJLXNBPWOCOYHR-QHCPKHFHSA-N 443.572 5.894 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)c(-c3ccncc3)c2c1 72396788 GJPWOZAFRLYFHZ-LJQANCHMSA-N 441.579 5.579 0 40 IKAB O=C(NCC1(Sc2ccccc2)CCOCC1)NC(c1ccccc1)c1ccccc1 96331383 SIZAQCMDEUSOTO-UHFFFAOYSA-N 432.589 5.417 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2)Nc1ccccc1 97656536 VQPXBCOGCVBFIY-UZYVYHOESA-N 448.522 5.907 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccccc1Cl 106685113 YUXIKKREGVMISO-PDGQHHTCSA-N 427.934 6.321 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 222592090 MELVRIQXRNAPAF-QHCPKHFHSA-N 445.003 5.174 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223818971 DMQNQFAHRRHICG-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 224050364 CWMVTFJTRAYWNM-SFHVURJKSA-N 445.003 5.174 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C 224142183 WFEAVKCAJVIAHL-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224389088 SBOOTRZMEBFHOQ-DLBZAZTESA-N 434.359 5.222 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 224411563 AORKZQXJKWFWGJ-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224426054 XOOXGOMCKFKLHD-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccccc1C(C)(C)C 224509873 ZUTUTSGFKOFTPT-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(OC)c3)c2)cc1 224592798 LZIRCUOIEHIMOE-UHFFFAOYSA-N 433.548 6.268 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224611184 BBDBZTLCAKSBCB-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 224620580 MVDREAJXRUIAMC-VWLOTQADSA-N 446.591 5.107 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c(OC)c1 224802030 PSDJQJBPYGQVRF-DNQXCXABSA-N 448.592 5.193 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961192 CXSPCSVIGSHPCR-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225134214 WNVQDMXQLBMACY-XMMPIXPASA-N 440.653 5.179 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(Oc2cccc3cccnc23)CC1 225705554 ASOXKDPBOGWQHB-UHFFFAOYSA-N 447.922 5.535 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1c(Cl)cccc1Cl 225803876 KZTLZEDENGMUTB-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 257226640 FLMNBZJOWFZJGV-ONTIZHBOSA-N 446.595 5.757 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257256996 KNQXIBLMTRSUGZ-QGZVFWFLSA-N 449.457 5.218 0 40 IKAB Clc1ccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)cc1 408556206 IZQQDHJZHQHQLG-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408574646 JPPCRBBGDWFDMJ-AWEZNQCLSA-N 428.907 5.188 0 40 IKAB COc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)cc2)cc1 408634367 QDYALFICMLASRR-HMAPJEAMSA-N 432.501 5.368 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408695378 QGJBURKHSCHISD-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)nc2-c2cccc(Cl)c2)cc1 408698412 NOCZZQOVHFTVNA-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccnc2)cc1-c1ccc(-c2ccccc2)cc1 408723973 BKURUILWQWCKIY-UHFFFAOYSA-N 430.511 6.162 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1F 409066006 LIFBSAYQPOCGQH-LPYMAVHISA-N 436.870 5.151 0 40 IKAB O=C(NC1CCCCC1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 409115530 MPYSFLJUKPJODQ-UHFFFAOYSA-N 440.653 5.844 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)c2ccccc21 409121157 WOLGPFPCQZGRCW-KQWNVCNZSA-N 431.507 6.101 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409258546 XZCFGTIBFNLSIH-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)c1C 409382632 VWYKSVVULNDKIR-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CN(C[C@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622808529 LLOQPZYPONHRKU-DNVCBOLYSA-N 445.403 5.964 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3(C)CCCCC3)CC2)C1 643573421 DKAHQJNBSOVPJJ-UHFFFAOYSA-N 426.645 5.303 0 40 IKAB O=C(Nc1ncc(Cc2cccc(Cl)c2Cl)s1)c1ccc(Br)cc1 848287 JYZVTKSFJROGNZ-UHFFFAOYSA-N 442.165 6.056 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901715 JFCYNXCSUHQSDO-LBPRGKRZSA-N 435.496 5.294 0 40 IKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1 932678 GWHOZYNRJGBXGU-UHFFFAOYSA-N 428.557 5.773 0 40 IKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)NCc2ccccc2)cc1 1378216 MFQHNLJXSJGCDL-UHFFFAOYSA-N 425.532 5.057 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2cccc(Cl)c2)n1 1392271 XLRIHSMNHVKKOI-UHFFFAOYSA-N 425.362 5.217 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3Cl)oc2cc1C 2056920 FXBPANDESRTHEO-UHFFFAOYSA-N 445.733 7.324 0 40 IKAB Cc1ccccc1NC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CCCC2 2072888 CTNAVXNGQCJFFG-UHFFFAOYSA-N 440.568 6.593 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2302233 UWXUHXBNNWPPEW-GOSISDBHSA-N 428.623 5.683 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 2323453 YXJORWCTERYHIV-SFHVURJKSA-N 444.579 6.407 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O 2415746 ONPSBBRAOYBSGM-OAQYLSRUSA-N 425.912 5.115 0 40 IKAB COc1ccc(OCCOc2ccccc2Cl)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 2815628 VCBKHFHVYXWDRD-PGMHBOJBSA-N 449.890 5.151 0 40 IKAB O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccc(Cl)cc1 3047473 SLTBDCCEDUITOR-UHFFFAOYSA-N 439.367 6.965 0 40 IKAB Cc1c(OCc2c(Cl)cccc2Cl)c(=O)ccn1Cc1c(F)cccc1Cl 3128596 MDTVPPWNZCEKLA-UHFFFAOYSA-N 426.702 5.883 0 40 IKAB Cc1ccc(NC(=S)NNP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)cc1 3205711 BLTHATGOPUVGSB-UHFFFAOYSA-N 447.500 6.092 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc(Br)c1 3213982 IEQWVKKFQAVMLI-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1C 3266501 JCMVGWIVHCWPAM-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1-c1ccc(C(F)(F)F)cc1 3289572 WXZSGOZPUYHTQK-UHFFFAOYSA-N 425.406 5.119 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc(OC)c1C 3298626 DUKNRJXANXWRMF-UHFFFAOYSA-N 436.577 6.436 0 40 IKAB CC(C)(C)C(=O)CSc1nnc(-c2ccccc2Br)n1Cc1ccccc1 3320558 HCACGARHPVUDNV-UHFFFAOYSA-N 444.398 5.463 0 40 IKAB Fc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)c(F)c1 3351855 SAUZJPYGLICXOB-UHFFFAOYSA-N 443.906 6.037 0 40 IKAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2ccc(C)c(Cl)c2)cc1 3352532 VFNMMILBRDRZRI-UHFFFAOYSA-N 433.964 6.324 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)C(c1ccccc1)c1ccccc1 4109840 PFGRFESTSZATOI-UHFFFAOYSA-N 438.493 6.466 0 40 IKAB O=C(CSc1ccccc1C(=O)NCc1ccccc1F)NC1CCCCCCC1 6944626 KPAKEMDFSSUFKQ-UHFFFAOYSA-N 428.573 5.077 0 40 IKAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(F)cc1F 9245557 OOKCOOAYZQPXHD-UHFFFAOYSA-N 427.838 5.186 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288253 KQQSFLIRQBFRIC-QFIPXVFZSA-N 432.886 5.756 0 40 IKAB Cc1nc(-c2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2)cs1 9512295 REMXPNMLBMHISZ-UHFFFAOYSA-N 433.533 5.484 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 9634591 KEECZFRNGXGZKF-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Cc1cccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)c1 9634986 IUSYTQHOMVARLN-NRFANRHFSA-N 432.524 5.402 0 40 IKAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@H]3c3nc4ccccc4s3)ccc2c1 9782279 OHPIJQATKQRXDZ-QHCPKHFHSA-N 445.588 5.254 0 40 IKAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3cccc(Br)c3)cs2)cc1C 9805892 MLIIIXBNJJIDEC-UHFFFAOYSA-N 445.338 5.306 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1C 9836650 ITPCPSBHWINVJO-UHFFFAOYSA-N 437.594 5.478 0 40 IKAB O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC(c2nc3ccccc3s2)CC1 9862775 FAXTWQRQJWHFGT-UHFFFAOYSA-N 443.981 5.589 0 40 IKAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C1CCCCC1 10014799 NAWHMALTZYVKGM-UHFFFAOYSA-N 432.899 5.495 0 40 IKAB FC(F)(F)c1cc(SCc2ccc(Cl)c(Cl)c2)nc2cc3c(cc12)OCO3 12139487 KUQTZHKHEVYDTL-UHFFFAOYSA-N 432.250 6.581 0 40 IKAB Cc1nc(Sc2nc3ccccc3s2)c2sc(=S)n(Cc3ccccc3)c2n1 12463256 DKNUBFYPNFTOJG-UHFFFAOYSA-N 438.628 6.340 0 40 IKAB Cc1cc(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)ccc1Cl 12539350 COGUNWOPEMVFSJ-UHFFFAOYSA-N 437.927 5.332 0 40 IKAB COc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC 12554696 WZWNSMDIDXEZNQ-NRFANRHFSA-N 430.426 5.515 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)c1cc2c(s1)CCC2 12584628 NZAGUKKLOWBSEM-UHFFFAOYSA-N 446.981 5.252 0 40 IKAB Cc1ccc(C)c(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)c1 12639738 XDNZJZALKSSKSS-UHFFFAOYSA-N 435.984 5.350 0 40 IKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1 12705009 RIIWHHSGFPEFSA-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB Cc1cccc(NC(=O)CN(C)Cc2csc(-c3cccc(Br)c3)n2)c1C 12930105 YLZKVPKPUFCSPP-UHFFFAOYSA-N 444.398 5.260 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)n2)c1 13098719 UNYRAZGDECZKOE-CYBMUJFWSA-N 432.929 5.195 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]21 13450400 QYXSLVBHLXGBFP-KEYYUXOJSA-N 432.446 5.049 0 40 IKAB CC[C@H](Oc1ccccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009336 ZCEBEZXMHDSBRJ-VWLOTQADSA-N 428.576 5.086 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Br)cc1 14071196 RJMTXAUIZGSSNU-UHFFFAOYSA-N 443.197 6.327 0 40 IKAB Cc1sc2nc(SCCOc3ccccc3F)n(-c3ccccc3)c(=O)c2c1C 15230380 PNPTUZZTGTTZHH-UHFFFAOYSA-N 426.538 5.374 0 40 IKAB COc1cccc(NC(=O)COc2cc3oc(=O)cc(-c4ccccc4)c3cc2Cl)c1 15398903 VKLGOKIZRRBSJW-UHFFFAOYSA-N 435.863 5.140 0 40 IKAB Cc1cccc(/N=c2\scc(-c3ccccc3F)n2Cc2ccc3c(c2)OCO3)c1C 15912617 XDEKZYKYTKXUCQ-RFBIWTDZSA-N 432.520 5.982 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947309 ZJOVISRHJIDLBY-IBGZPJMESA-N 448.375 6.122 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(SCc3cccc4ccccc34)s2)cc1 16035782 MZEMTBIDZQXPJU-UHFFFAOYSA-N 436.671 7.573 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2Cl)cc1Br 17098469 UENLRNGAZYYJNS-UHFFFAOYSA-N 433.527 5.516 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19634977 VZVDYMXXSQDJAP-UHFFFAOYSA-N 441.909 5.557 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1 19636584 YGCJMMSZUYQGOA-LJQANCHMSA-N 442.559 7.295 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 19648613 CWHLKNZZEZCMJW-OAHLLOKOSA-N 449.348 7.023 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20039137 QVNKYMOEFXFLKZ-OAQYLSRUSA-N 431.001 5.866 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 20460928 APTKIHAGEOAOAX-VGSWGCGISA-N 436.939 5.627 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 20765838 VOTPRYKFJRTSFV-UHFFFAOYSA-N 448.588 5.423 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc2nsnc2c1 21595680 XCGSTIFNNKWXJD-UHFFFAOYSA-N 428.521 5.109 0 40 IKAB C[C@H]1CCc2c(sc3nc(-c4ccc(S(C)(=O)=O)cc4)cc(-c4ccccc4)c23)C1 24634772 GWXYXBJQIQHMHY-INIZCTEOSA-N 433.598 6.159 0 40 IKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)N1CCN(c2ccccc2)CC1 26780062 NGFUHEXZHXRHGK-UHFFFAOYSA-N 441.510 5.033 0 40 IKAB O=C(Nc1ccccc1-c1nc(-c2ccc(F)cc2)no1)c1ccc(Br)o1 32623680 FWPRRQSIRMJMCO-UHFFFAOYSA-N 428.217 5.151 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@@H]3c3ccncc3)cc12 32907454 DBNNBOAJWBNXNN-HXUWFJFHSA-N 436.968 5.480 0 40 IKAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 35581132 YPUKXAKWKIWYMT-RBZFPXEDSA-N 425.941 5.436 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 59294024 CJJANTHATUTKRX-UHFFFAOYSA-N 437.321 5.385 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(C(=O)O)cc2Cl)cc1 59843120 FXFYFMAXTFYNGV-UHFFFAOYSA-N 425.337 5.116 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1F 67292983 XZCRFQKVJSIXQB-UZGAPFOWSA-N 435.282 5.020 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377267 LDIVVEWKZSKZGG-OAQYLSRUSA-N 438.934 5.205 0 40 IKAB C[C@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@H]21 95951564 PNEZUKVPMORBBH-SRPRTCBCSA-N 434.580 5.042 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1cccc(C(F)(F)F)c1 96305909 ZBVZHVYVVFJEDC-UHFFFAOYSA-N 439.462 6.046 0 40 IKAB CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 103450737 WMUGBHWKXAIERP-MNNSJKJDSA-N 437.587 7.162 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 222413519 CISMVWRHAMPWJA-NRFANRHFSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222615255 CSWGDLZFKXCQKH-CVDCTZTESA-N 429.004 5.037 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 222704327 FXSAQBZMXBHQBY-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222783092 VISLIAXOCMFVGQ-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 223090927 WPSUFWLJLAFEGF-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223372594 DYRIBMRVSQKERX-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 223438383 GNBDADYLBSZROC-HSZRJFAPSA-N 442.575 5.050 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223496827 GZRDUXCEJUJWOJ-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c(Br)c1 224253802 OIHSINQNIZBWES-UHFFFAOYSA-N 438.365 6.016 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224308126 CLJNJGKYEFCHTH-FQEVSTJZSA-N 426.576 5.071 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1nccs1 224423114 UVURWDIITLLDRZ-NHCUHLMSSA-N 449.580 5.262 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 224673222 GFJBCKXULLAQFD-MRXNPFEDSA-N 448.991 5.047 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 225133048 UTMXLMXHVLIFDZ-VNLJKWRZSA-N 448.588 5.412 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225723186 SVGGSXVGFJCQSV-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C 252480090 BUSNQFFAYNOQKT-UHFFFAOYSA-N 446.576 5.320 0 40 IKAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(Cl)cc4)o3)cn12 257263906 LRYUSNVCDGLXEO-NRFANRHFSA-N 434.927 5.242 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 408558532 RQGYTAZPZULNLM-UHFFFAOYSA-N 442.968 5.310 0 40 IKAB Cc1ccccc1CNC(=S)c1cc(Cl)ccc1OCc1c(F)cccc1Cl 408572140 FIYWZGINUSQCRK-UHFFFAOYSA-N 434.363 6.485 0 40 IKAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408574395 QBVWRLHYLNNNHH-JLHYYAGUSA-N 443.284 5.766 0 40 IKAB Cc1ccccc1NC(=O)CCCC(=O)OCC(=O)Nc1ccc(Oc2ccccc2)cc1 408663937 PFUKWLSKPVDPRW-UHFFFAOYSA-N 446.503 5.078 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408700087 YSPNWGLFAYFEMA-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409011701 IDKKJHZEISVAAU-BUESGFEBSA-N 436.360 6.407 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Br)cc2)nnc1-c1ccccc1 409094105 CUBJCQUMKHLBJM-UHFFFAOYSA-N 445.386 5.094 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2cccc3cccc(Cl)c23)sc2c1CCCC2 409121470 VKXWNKGUUFGMDI-UHFFFAOYSA-N 449.981 5.411 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409352533 DEKHUCXCUOCCPU-PMAPCBKXSA-N 438.534 5.899 0 40 IKAB CCCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264517 FREWQSFDTFMRCH-HIGZBPRKSA-N 442.527 5.565 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccc(Cl)cc1 648722 ZEEJGULTIFRXSS-UHFFFAOYSA-N 426.973 5.699 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)c1ccc(Br)cc1 677788 XRIDYAXBMFDPEZ-UHFFFAOYSA-N 437.362 5.822 0 40 IKAB COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)cc1 1249249 IZXUGOAZAGFNAM-KRWDZBQOSA-N 430.595 5.054 0 40 IKAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccc2ccccc2c1Br 1471174 SZUMPHUKGXOXJL-KRWDZBQOSA-N 439.353 5.344 0 40 IKAB COc1ccccc1NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 1472263 BSMCKUDVSXAQCB-UHFFFAOYSA-N 449.479 5.887 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1ccc(C(C)C)c(C)c1 1770636 NLKPRGWFUHNFLY-UHFFFAOYSA-N 437.561 6.041 0 40 IKAB Cc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)c(Cl)c(C)c4)coc3c2)c1 1775141 IVFIMFAWIBSGEI-UHFFFAOYSA-N 434.875 6.383 0 40 IKAB Cc1ccc(N2C(=O)c3cccc4c(N5CCCCCC5)ccc(c34)C2=O)c2cccnc12 1796561 RXNMQBAHIXPIBZ-UHFFFAOYSA-N 435.527 5.877 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 2050830 WTSANSOXDFYRGC-UHFFFAOYSA-N 444.943 7.437 0 40 IKAB C[C@@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c23)C1 2294470 DUJHMVBTFPUBCP-MRXNPFEDSA-N 446.597 5.547 0 40 IKAB Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 2319514 BHHBQHVVTSOPIB-UHFFFAOYSA-N 428.623 5.745 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1 2442736 CPAXHZXEAVHAPL-GOSISDBHSA-N 429.568 5.409 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCO4)c1 2688867 WTBAACBDNSJQMC-UHFFFAOYSA-N 427.435 5.128 0 40 IKAB C[C@@H](c1nc2c3c4c(sc3ncn2n1)C[C@H](C)CC4)n1nc(C(F)(F)F)cc1C1CC1 2788955 QVNZNBZUAXDXOE-MNOVXSKESA-N 446.502 5.166 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)c(Cl)c4)ccc3o2)cc1 2886914 QFHXXGMUWMHXRQ-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB COc1cc(CN(C)[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F 3433994 UFTRKPPPOOISDT-NSHDSACASA-N 433.282 5.062 0 40 IKAB CSc1nc(O)cc(CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)n1 3440041 XWTKCTYZHTWQIM-UHFFFAOYSA-N 435.578 5.061 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3c(C)cccc3C)c2n1 3550595 PYVSSDTYQDBQHH-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB CC(C)(C)c1ccc(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccc(Cl)cc2Cl)cc1 4118529 WHORTNKROLTZLD-DEOSSOPVSA-N 441.377 7.786 0 40 IKAB COCCCn1c(SCc2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 6075543 MUDGUUIEIVYDBY-UHFFFAOYSA-N 430.017 6.225 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1N1CCN(c2ccc(F)cc2)CC1 8410660 JICAYRDSQVUXPR-UHFFFAOYSA-N 433.914 5.314 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 8442769 OONMABNCULGBQV-GOEBONIOSA-N 435.837 5.153 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@@H](C)CC4)cc1 8765738 ZYWORNFNBSXOGS-INIZCTEOSA-N 435.545 5.910 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)n2-c2ccccc2)cc1 8788303 VVSNGOAXZXQUAV-QGZVFWFLSA-N 439.544 5.333 0 40 IKAB C[C@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 8938522 BWIHTGCPHWOMQD-QMMMGPOBSA-N 429.712 5.441 0 40 IKAB O=c1c2ccccc2nc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccccc1F 9167039 MEJLHDWLGHVQRY-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)NC2=S)cc1 9189161 WIVSZQQVEQCZTO-KQWNVCNZSA-N 444.556 5.235 0 40 IKAB COc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9291396 QBQHUJAQWDHEPP-RBBKRZOGSA-N 434.337 5.954 0 40 IKAB COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)c1 9327730 UFIXRKFKXVWABQ-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB O=C1C[C@H](c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 9397266 VHTSMQCKERNTNU-QGZVFWFLSA-N 433.471 5.336 0 40 IKAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccc(-c3nc4cccnc4s3)cc2)cc1 9403945 BVIGAYJBFVLSBG-UHFFFAOYSA-N 449.535 6.150 0 40 IKAB Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2nc3ccccc3s2)cc1 9638927 VGQQENRYIDUWSY-UHFFFAOYSA-N 439.585 5.294 0 40 IKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(Br)cc3)ccc2o1 9660228 DJLMTNJMSVSRKU-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB biogenic Clc1ccccc1-c1nnc([C@@H](Nc2ccccc2Br)c2ccccc2)o1 9683258 KKKMKRCJUNKBJA-IBGZPJMESA-N 440.728 6.354 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c3ccccc3n2)o1 9712158 MVFXETRSRVLTGP-UHFFFAOYSA-N 439.515 5.294 0 40 IKAB COc1ccc(CC(=O)Nc2ccc(-n3c(-c4ccc(Cl)cc4)nc(C)c3C)cc2)cc1 9805829 GGLJJJUPNGDZJT-UHFFFAOYSA-N 445.950 5.999 0 40 IKAB Cc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3O)nc2c1 9934679 LFSYMJFUDJADIL-UHFFFAOYSA-N 443.484 5.382 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1 11196689 ZIMDJPLLKKTPAK-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB CCOc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)cc1 11689945 SAJUYMTUKCITDR-UHFFFAOYSA-N 439.475 5.035 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@@H]21 12196265 FJGWBBGQOFPIDQ-UQBPGWFLSA-N 434.492 5.246 0 40 IKAB Brc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccccc3)=NN2)cc1 12485066 DSNNVEOEXJRBBQ-UHFFFAOYSA-N 426.317 6.036 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 12529524 XORFGGIMFXHNKC-CQSZACIVSA-N 430.379 6.621 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)Nc3ccc(Cl)cn3)nc2c1 12546792 QAEVGOMLIUABFN-OAHLLOKOSA-N 449.963 6.078 0 40 IKAB COc1cccc(Nc2nn(CN(C)[C@H](C)c3nc4ccccc4s3)c(=S)s2)c1 12553612 HEERJCLFOHGPQK-CYBMUJFWSA-N 443.623 5.686 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 12847281 KBBWNUBRZHPWHK-QZTJIDSGSA-N 434.849 5.758 0 40 IKAB Cc1ccc(-n2c(SCc3cc(Cl)cc4c3OCOC4)nnc2-c2ccccc2)cc1 13098507 FWLRBRSWBUHPEP-UHFFFAOYSA-N 449.963 6.055 0 40 IKAB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc4ccccc34)s2)cc1 13134804 BCYVOAUUFLRRRP-OAHLLOKOSA-N 434.590 6.117 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1Sc1ccc(Cl)cc1 13134974 IJLTZHWDHMYHFK-UHFFFAOYSA-N 426.950 6.363 0 40 IKAB CCc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 13564720 IYWHSUYTRRLLTE-UHFFFAOYSA-N 438.506 5.694 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714855 KVYGGBURMSGEET-JOCHJYFZSA-N 442.968 5.190 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 13775037 XYUDXRXUPNUPII-RDPSFJRHSA-N 444.015 6.471 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)cc2)c1 14820206 CZSCHIJJJJWKDA-UHFFFAOYSA-N 445.993 5.764 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(Cl)c2)N2CCOCC2)c1C 15441196 BIIRPDXSLBRLMA-JOCHJYFZSA-N 440.996 5.692 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cc1)c1ccc2oc3ccccc3c2c1 16525526 JYDMMFKNLCWIOC-UHFFFAOYSA-N 440.886 6.744 0 40 IKAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1Cl 16778335 RBUNCJRCCATNFA-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c(C)c1 17095919 ALONWZVOVIUJDU-UHFFFAOYSA-N 428.532 6.427 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1 19220296 CUOLQHRRQUXEKY-FQEVSTJZSA-N 427.552 5.336 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1OC 19633109 PQHRRLCOVAWMIC-NSHDSACASA-N 441.163 5.986 0 40 IKAB Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccccc2)S3)c1 20070074 UQISQRDHFTVBHR-HSZRJFAPSA-N 446.963 5.918 0 40 IKAB COc1c(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc2ccccc2c1Br 20139245 UVYMGKPTOKVZJK-UHFFFAOYSA-N 434.673 5.215 0 40 IKAB S=c1sc2ccccc2n1CN1CCN(Cn2c(=S)sc3ccccc32)CC1 20534029 GOGWXBNPDNLAKB-UHFFFAOYSA-N 444.676 5.411 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 20610581 ZREHEJIWVAGQRC-UHFFFAOYSA-N 440.934 6.603 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633483 VPCFFWFWBASHCN-QHCPKHFHSA-N 435.524 5.076 0 40 IKAB CCc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(CC)nn3c2C)cc1 20672770 XMYCSMGBAMDXAK-UHFFFAOYSA-N 435.531 5.630 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(F)cc2)c(OC)c1 22109904 WNQCJYIVSRTEKD-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(OC)ccc21 22235973 FLTMJDGUNSZLPC-UHFFFAOYSA-N 448.906 5.728 0 40 IKAB Cc1cccc(CNC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 26025171 SGHJDLLFMKNJSX-UHFFFAOYSA-N 427.348 5.148 0 40 IKAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 26125529 MWUBQYUZJQKKAX-XMMPIXPASA-N 430.573 5.071 0 40 IKAB COc1ccccc1[C@H](Nc1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770889 NKRZGZVMXCQEND-VWLOTQADSA-N 442.584 6.827 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)o1)C(c1ccccc1)c1ccccc1 28628484 DRRZDXDATMWWHM-UHFFFAOYSA-N 449.963 5.730 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2cccc(C(F)(F)F)c2)CCCC1 29563084 ADSHXRCMMTUPIK-UHFFFAOYSA-N 430.514 5.298 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl 32092104 PODLDCDZXYDZOU-INIZCTEOSA-N 433.270 5.476 0 40 IKAB Cc1ccc(-c2noc(-c3c(NC(=O)COc4ccc(F)cc4)sc(C)c3C)n2)cc1 32624504 NXYAESLNNAKXQH-UHFFFAOYSA-N 437.496 5.547 0 40 IKAB CCc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 32664940 UKULNWJWIMFNLM-MOPGFXCFSA-N 445.563 5.188 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)o2)cc1 32881928 NDQCVGYBJCIRFH-HXUWFJFHSA-N 431.561 5.946 0 40 IKAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cc(Cl)ccc2o1 33560806 YUSXFMRXBCJZJG-UHFFFAOYSA-N 434.746 5.937 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N3c4ccccc4C[C@H]3C)n(C(C)C)c(=O)c2c1C 36636656 DNPJSQRUUWFKIJ-CZUORRHYSA-N 441.622 5.114 0 40 IKAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3cccnc3)o2)c1 39844360 ARSYLVHFXRZGOP-UHFFFAOYSA-N 439.924 5.143 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2ccccc2C)cc1 44792637 UOIDYOQMOGLWGR-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCn1c(CNC(=O)c2ccc(COc3ccc4ccccc4c3)o2)nc2ccccc21 49590069 ZVUJWYTXQYFBOL-UHFFFAOYSA-N 425.488 5.311 0 40 IKAB Cc1cccc(-n2nc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c3ccccc3c2=O)c1 64949785 WCOBEVYCMJARCZ-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccc(OC)cc3)cc12 65033891 OMMLLZDUEZWMEY-UHFFFAOYSA-N 428.488 5.570 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nc2ccsc2c1=O 67209287 FWVGSILUNNQSLZ-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)C1 67240741 JDSLGNHGUMMOML-GASCZTMLSA-N 425.458 5.446 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4Cl)n3)C2)cc1 72349881 RHIVHRMVJMCMMQ-OAQYLSRUSA-N 447.966 5.304 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358491 BEFYBXGKYCAQRK-QGZVFWFLSA-N 429.417 5.321 0 40 IKAB O=C(c1ccc(Oc2ccc(F)cc2Br)nc1)N1CCC[C@H]1c1ccc[nH]1 89767980 PDEJRJHIFQEOSI-KRWDZBQOSA-N 430.277 5.081 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br 96194501 QWXOUQNJMMRFJH-VWLOTQADSA-N 442.356 6.636 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)c(C)c1 103004984 KDUGNIIOJSFLIJ-KGENOOAVSA-N 436.433 5.962 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc(F)cc1 106691611 FIKVOZXSGIKUGA-IDUWFGFVSA-N 431.286 5.306 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118924519 CZSGREWSSMQULY-VGQLYABUSA-N 428.745 8.821 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 222714649 FNEMNIGIPXLAAI-LJQANCHMSA-N 438.420 6.425 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222928025 FCLYSHYKFFZOAB-QGZVFWFLSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 223699065 CZAGCQYBOBGQQV-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223793362 QNAFOVMLHUGTHA-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc2c(c1)OCO2 224028114 OOVARFYUIPVRNN-BJKOFHAPSA-N 441.512 5.247 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc(C(C)C)cc3)ccc2C)cc1 224100861 LMOFJPOFAPLTEU-UHFFFAOYSA-N 436.577 5.158 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NCC(C)C 224129769 FBAVSEXJFVVGAQ-QFIPXVFZSA-N 436.640 5.415 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224213797 SWMKEPYDCHNYRE-XZOQPEGZSA-N 445.979 5.406 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224232399 ZBDXELLJNKOOSP-RPBOFIJWSA-N 430.621 6.101 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccccc1Cl 224479665 YXAPBQHDUQAMME-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)ccc1F 224907605 VKWINAOEAOIMOV-RPWUZVMVSA-N 444.535 5.203 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225551265 GYHNFYQUDHUANY-WMZHIEFXSA-N 429.004 5.303 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225743430 QOKZCTVHKALMRJ-UHFFFAOYSA-N 439.640 7.079 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OCC)c1 226327322 MYKPFRATBPEUES-UHFFFAOYSA-N 448.140 5.910 0 40 IKAB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c2ccccc12 226766713 QZFFBCLSHTWJLZ-UHFFFAOYSA-N 444.668 5.704 0 40 IKAB CCc1cccc2c(CN3CC[C@@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)cn(C)c12 257216307 CTXNLHSMVLBPPF-LJQANCHMSA-N 445.632 5.647 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)s1 257320198 VVSJRONKOKGEDL-MRXNPFEDSA-N 444.988 5.135 0 40 IKAB CCn1ncc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1C 257324085 WNCHGUDQOSKRAO-UHFFFAOYSA-N 442.529 5.596 0 40 IKAB COc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c1 408572682 HPQBWPDVPUXSRV-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408695297 PPGVTLZTYRPWLD-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409114131 IYEPCKPOEWSADE-UHFFFAOYSA-N 426.354 6.211 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 409116769 LGICGMRBVIZDAU-CPNJWEJPSA-N 431.841 6.547 0 40 IKAB Cc1ccc(-c2nn(CC(=O)N3c4ccccc4Sc4ccccc43)c(=S)o2)cc1 409172894 GKYDESCDRNDDDZ-UHFFFAOYSA-N 431.542 6.011 0 40 IKAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)c(Cl)c1 409195799 SBSGVUAAWMKEQO-QOCHGBHMSA-N 435.774 5.527 0 40 IKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1C 409338237 GJSRCELJEJYKJH-UHFFFAOYSA-N 436.408 5.907 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 409362712 SPFUATWPOZVISL-UHFFFAOYSA-N 448.617 5.441 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 524734493 KLSLLLGZJASLSM-HSZRJFAPSA-N 431.511 5.027 0 40 IKAB CN1CCCCCCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582238 PANSEQPPNDBXKX-VWNXMTODSA-N 426.601 5.041 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1ccc2c(c1)OCO2 667745 CAYJPTWLGDCBTL-UHFFFAOYSA-N 445.496 5.726 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)S(=O)(=O)c1ccccc1 1099293 UOLAXRNOBCYBBV-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCN(Cc1ccccc1)[C@@H](c1ccc(Cl)cc1)c1nnnn1Cc1ccc(F)cc1 1327972 BSDFCMSHZPVRQV-QHCPKHFHSA-N 435.934 5.125 0 40 IKAB CCOC(=O)c1cc(CC)sc1NC(=O)COc1ccc(C(C)(C)CC(C)(C)C)cc1 1916399 OWKOSGZFHRYXHF-UHFFFAOYSA-N 445.625 6.219 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 2074815 PCHSSRHFINCSMT-UHFFFAOYSA-N 428.557 6.908 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)c1 2184854 LXYLNHUNWBTPLK-UHFFFAOYSA-N 449.528 5.516 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5CCCC5=O)cc4)cc3)sc2c1 2618789 MJNAENMLFSZBAH-UHFFFAOYSA-N 427.529 5.651 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)N(Cc3ccccc3)C(C)C)c3ccccc3n2)o1 2637248 KAHARYOLUVSEMD-UHFFFAOYSA-N 442.515 5.397 0 40 IKAB O=P1(Nc2ccc(Cl)c(Cl)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3164046 QYHZDAPXWWONSZ-UHFFFAOYSA-N 428.255 7.711 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Cl)s3)c2C1 3312145 FHWQRCQBMUWQPQ-CQSZACIVSA-N 441.980 6.140 0 40 IKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)s2)c1 3328381 RISXBLSLUHGSIC-UHFFFAOYSA-N 430.942 5.198 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(S[C@@H](C)c3ccccc3)ncnc21 3658718 PWPSLSFRSVEKFT-IBGZPJMESA-N 437.568 6.949 0 40 IKAB O=C(COC(=O)c1ccc(-c2cnc3ccccc3n2)cc1)c1ccc(Br)cc1 4196510 MJGABMKGSLMHMQ-UHFFFAOYSA-N 447.288 5.099 0 40 IKAB CCOc1ccccc1[C@@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2nc3ccccc3n21 4767941 DUPSVERSWXSGOH-XMMPIXPASA-N 431.536 5.600 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 6246589 AARSIRYXPRNAOE-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NC1CCCCCC1 8442763 YQJNQNCMRPJDFG-UHFFFAOYSA-N 427.492 5.467 0 40 IKAB O=C(Cc1ccc(F)cc1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 8793735 RVDRELOAIKWOON-UHFFFAOYSA-N 445.519 5.732 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(CCc2ccccc2)C3=O)c(O)c1 8845789 DKMXAEKADVDUSG-VWLOTQADSA-N 443.934 5.532 0 40 IKAB CCOc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1 8872620 FIWPEXMATGBWDJ-WEMUOSSPSA-N 438.552 7.163 0 40 IKAB C[C@]12C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)N1CCc1c2[nH]c2ccccc12 8918221 DJHFIIIIBKWQTJ-FQEVSTJZSA-N 433.817 5.080 0 40 IKAB biogenic CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc21 8959768 IQKZMHCESQFJAQ-UHFFFAOYSA-N 434.458 5.365 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(F)c4)sc3n2)cc1OC 9009976 JAHRLBVQSOCBOI-UHFFFAOYSA-N 437.496 5.263 0 40 IKAB O=C(CN1CCCCC1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Cl)cc1 9129561 HSPBFSAZMSNSKC-UHFFFAOYSA-N 431.319 5.191 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1cccc(C)c1 9250199 UCSOLIOIUHFUJZ-UHFFFAOYSA-N 449.576 5.389 0 40 IKAB CCc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308831 HCQQIVIDDKLUPG-GGAORHGYSA-N 432.365 6.508 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 9545421 MKHQNCCBTZFXJH-UHFFFAOYSA-N 442.874 5.066 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)cc1 9569640 OUVPNTFQDCDYFT-UHFFFAOYSA-N 434.565 5.478 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3C(F)(F)F)c2n1 9585877 FKJBENJGPPJZAY-UHFFFAOYSA-N 429.225 5.886 0 40 IKAB O=C(CN1C(=O)CS/C1=C\c1nc(-c2ccc(F)cc2)cs1)c1ccccc1Cl 9662371 YRRZQLLZPKXUBS-NKVSQWTQSA-N 444.940 5.359 0 40 IKAB O=C(c1ccc(CNc2ncnc3sc(-c4ccccc4)cc23)cc1)N1CCCCC1 9885134 FCDQCFVTVBBCIP-UHFFFAOYSA-N 428.561 5.597 0 40 IKAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 9950288 FCVMOMWZUQNOPN-NRFANRHFSA-N 426.541 5.547 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(C)c1 10059084 CSQCMCKORHDSEO-PMERELPUSA-N 449.550 5.772 0 40 IKAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059517 UZRJJBQKACWMSQ-GDLZYMKVSA-N 435.523 5.410 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 11667143 WZGAOIAAPNRTRC-UHFFFAOYSA-N 431.536 5.412 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 12140476 HLYLMVLIYOWROR-UHFFFAOYSA-N 428.355 5.254 0 40 IKAB Cc1cc(NC(=O)c2ccc(CSc3nnc4n3CCCCC4)cc2)ccc1Cl 12568100 NTZFVDKFNRLGIG-UHFFFAOYSA-N 426.973 5.511 0 40 IKAB Cc1ccc(CNc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)cc1 12587995 SKHUSHBSXNUCPL-UHFFFAOYSA-N 430.577 5.111 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c1 12600848 AQHKIHRFLKSRRK-UONOGXRCSA-N 438.578 6.135 0 40 IKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=S)NC2CCCCC2)C1 12603326 ZXVATNJXWOXNOI-FYYLOGMGSA-N 436.669 5.821 0 40 IKAB biogenic,in-vitro COc1ccc(CSc2nc3sc(C)c(C)c3c(=O)n2Cc2ccccc2)cc1F 12634843 ZPHBYMXXRUJOEI-UHFFFAOYSA-N 440.565 5.563 0 40 IKAB Fc1ccc(Cn2nnnc2[C@H](c2ccc(F)cc2)N2CCCC3(CCCCC3)C2)cc1 12642001 BHNDLKRYZBPIJU-QHCPKHFHSA-N 437.538 5.135 0 40 IKAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)s1)C1CC1 12675799 NOCOBFCILXRTNV-UHFFFAOYSA-N 429.611 5.466 0 40 IKAB COc1ccc(Oc2cc(N[C@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc2OC)cc1 12736884 GNALICIMPNJYNU-DEOSSOPVSA-N 436.483 5.067 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 13126873 HYEKKVMGMNULFI-HSZRJFAPSA-N 439.540 5.866 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)c1ccccc1 13426348 NAHSPFVPZUIBTN-LSDHHAIUSA-N 431.483 5.520 0 40 IKAB COc1ccc(C2=NN3[C@@H](C(=O)c4ccc(C)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 13616523 QHOASVHSWVUMND-RCZVLFRGSA-N 432.907 5.410 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)c1ccc(Br)cc1 14152526 HKYIPNVGBGSOQK-UHFFFAOYSA-N 443.153 5.516 0 40 IKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)c(Cl)c1 16196325 HSVXOZWQXBIEBO-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OC 16751141 QTADKPMZMMXUDX-XMMPIXPASA-N 449.547 5.716 0 40 IKAB Cc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)c2n[nH]c(=S)s2)c1 16769399 NQAFTJPOPGRFKR-UHFFFAOYSA-N 425.366 5.593 0 40 IKAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17101157 CYWXAOQVTUAPLS-UHFFFAOYSA-N 437.326 6.860 0 40 IKAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1 22504584 AZBRPRJVKQPVOO-UHFFFAOYSA-N 449.576 6.164 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 22889316 IHMRXAYGPWBDGD-JOCHJYFZSA-N 442.584 6.031 0 40 IKAB O=C(Cc1cc(O)nc(SCc2ccccc2F)n1)Nc1ccc(Cl)c(Cl)c1 23243169 ZODLFDHITNWLKY-UHFFFAOYSA-N 438.311 5.102 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccc(Cl)cc4)ncnc3[C@@H]2C2=C1CCC2 26464326 VXPUVNNOJLOVOH-SIKLNZKXSA-N 442.053 7.063 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2ccccc2)c1C 26770763 UJIVNHNEMRRHNL-XMMPIXPASA-N 430.548 6.958 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1SC[C@H]1CCCO1 26783405 JIZZOYCVUUWYSG-QGZVFWFLSA-N 445.009 5.911 0 40 IKAB CC(C)(C)c1ccc(/C=c2/sc3nc([C@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024234 JPSWSTZSCDNWPX-FPZAFUISSA-N 448.419 5.055 0 40 IKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1OC 27345779 UZMLLYZRVQZCJO-NCUBBLFSSA-N 431.558 5.009 0 40 IKAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 28286850 SBWOYIDHOVCYGA-NRFANRHFSA-N 444.362 5.605 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(F)cc1 28527647 BWUORDMCNAHOOF-UHFFFAOYSA-N 448.329 5.689 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc5c6c(cccc46)CC5)c3)nc2c1 32204024 YRFVOXZOUDWUKD-UHFFFAOYSA-N 432.523 6.924 0 40 IKAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)C(c1ccccc1)c1ccccc1 32610579 UFPSJFDUPCUXIR-UHFFFAOYSA-N 436.342 6.009 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccccc1Cl 33388999 OKQRQCXRVDDKDT-ZDUSSCGKSA-N 435.380 5.388 0 40 IKAB CCOC(=O)[C@H]1C(=O)Oc2ccccc2[C@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 33821790 HCCASHTVIJTISL-VJBWXMMDSA-N 448.902 5.189 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)c1 38757032 BXPODNKNOKRURS-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 39357688 IVXHYDUXTYURSY-BONBVDDQSA-N 446.553 6.383 0 40 IKAB Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(F)cc2)c1 57519923 OMBKGSWVJCCEER-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB CCOC(=O)CSCC(=O)N1c2ccc(C)cc2-c2c(ssc2=S)C1(C)C 59428066 ONQBXIWNUILLMB-UHFFFAOYSA-N 439.649 5.393 0 40 IKAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)n1 60098355 QGYBUBYTBKGOSZ-QGZVFWFLSA-N 438.959 5.269 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]32)CC1 63720235 RSUMDFBTCAAZNY-RFZNLCKASA-N 443.031 5.085 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1CNS(=O)(=O)c1ccccc1C(F)(F)F 90593341 UOGSTJLVMDMEKI-UHFFFAOYSA-N 446.903 5.269 0 40 IKAB COc1ccccc1-n1c(-c2ccc3ccccc3c2)cs/c1=N\C(=O)c1ccccc1 97549963 LMDCSNCUMXNHAH-DQSJHHFOSA-N 436.536 6.109 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1c(F)cccc1Cl 106733180 IOHPQNSCVKRMFZ-GRSHGNNSSA-N 431.847 6.115 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914733 SFKSZNDXMPANHH-QXMVWNSXSA-N 444.700 7.030 0 40 IKAB O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1ccccc1 139066852 FGBLBUMURGNXGV-FKCWEYQYSA-N 446.506 5.388 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 223085278 BDPGXNNEPIUBJQ-UHFFFAOYSA-N 426.560 6.183 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 223286371 UEUUCXYEVOBXEC-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223376071 KUKYGFGFUSMPJR-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 223532716 OCTBWEPBFYQJCR-RPBOFIJWSA-N 445.636 5.573 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl 223914952 CGNQVUJPKRZPKB-CQSZACIVSA-N 441.786 5.133 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)C1(c2ccccc2)CCOCC1 224285711 UYAMMKLPDRSACV-UHFFFAOYSA-N 437.923 5.828 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224678389 NYDIUWOXZAFCJN-OAQYLSRUSA-N 438.637 5.262 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C)o2)cc1 224918279 SLGYBQZOYJTGLE-UHFFFAOYSA-N 432.907 6.621 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961300 HFTPIVPPGNGVPF-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 225477778 HIIHDNQEDRMSLO-FQEVSTJZSA-N 444.644 6.880 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225490259 CUFBCLWSPFIGHW-REWPJTCUSA-N 438.612 5.085 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC(C)CC1 225669241 IAZDKUXGGGFGGT-HCYSDIRSSA-N 430.633 5.644 0 40 IKAB S=C(NCc1nc(-c2ccccc2Cl)no1)Nc1ccc(OC2CCCC2)cc1 225819766 VBJZFUNLZDNWAG-UHFFFAOYSA-N 428.945 5.198 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccco2)cc1 245015140 LNTNLAJINDHWHT-UGKGYDQZSA-N 439.309 5.683 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)cc12 257238679 HMBDHTNFNFYOLN-GOSISDBHSA-N 433.939 5.728 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2CCCC2)CC1 257293159 QOJYFOFIJDZWEF-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257324215 WNSDSCRDYLSOIY-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 408591363 LLNHQZCXJBWLEG-UHFFFAOYSA-N 449.882 5.033 0 40 IKAB COc1cccc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 408671407 KWQUGNGIAHASEM-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1C 408695532 RFASBFAFKVTWBR-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1 409114901 RBGWZMWOLVHEAP-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 409116180 ORABDIOXEHVMBX-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1C 409178029 DIUONCKGSCAAEQ-SANMLTNESA-N 449.934 5.843 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409178401 HHHPJLVRBPMLGQ-QFIPXVFZSA-N 449.717 6.193 0 40 IKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409205125 MFHQVMOILBAWHZ-UHFFFAOYSA-N 447.619 5.853 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCCOc1ccc(C(C)(C)C)cc1 409269945 MKSUGXKGZWTSCH-UHFFFAOYSA-N 444.531 5.766 0 40 IKAB CCCc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(-c4ncco4)c3C)c12 553057937 AIGZVLKRIOWLPY-UHFFFAOYSA-N 428.448 5.651 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ncc(Cc2ccc(Br)cc2)s1 848307 GDGHFVSKZWWLKC-BJMVGYQFSA-N 433.758 5.802 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 901585 OMBCVDRZYSXQIH-UHFFFAOYSA-N 437.512 6.078 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccc(Cl)cc3)nn2c1-c1ccccc1 987998 SKQLCILBFWYXCB-UHFFFAOYSA-N 445.931 5.550 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@H]3c3ccc(C)o3)sc2n1 1016805 OJLVBDKQOUSJJN-SFHVURJKSA-N 430.533 5.388 0 40 IKAB CCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(C)c(C)sc2n1 1357900 SMLOZJPZGNOGIJ-UHFFFAOYSA-N 425.501 5.620 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@H]1CCCc2ccccc21 2105616 FICUXKQAPZRSAT-QHCPKHFHSA-N 426.947 6.671 0 40 IKAB CCCSc1nnc2c(n1)O[C@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 2114088 WMVAYZJDNSBICX-HXUWFJFHSA-N 426.567 5.245 0 40 IKAB CCCCc1ccc(-n2sc3c(c2=S)-c2cc(C)cc4c2N(C(=O)C4=O)C3(C)C)cc1 2235085 FNSRGRUFNQGTAU-UHFFFAOYSA-N 448.613 6.364 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2365130 DMYIJIGNJKPLSB-UHFFFAOYSA-N 440.506 6.469 0 40 IKAB O=C(Oc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1)c1ccc(Cl)cc1Cl 2888796 DSUXEHYNSXQVCS-UHFFFAOYSA-N 445.685 6.639 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1csc2c1CC[C@H](C)C2 3315515 KMCRAXZXQQSIBW-AWEZNQCLSA-N 425.575 6.030 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1oc2ccccc2c1COc1ccccc1 3341188 GYDDSPWJBFKCEQ-UHFFFAOYSA-N 435.479 7.056 0 40 IKAB CCOc1ccc2nc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)sc2c1 3439359 OPZACIFRYLDXEQ-UHFFFAOYSA-N 448.613 6.016 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4025727 WAVPHEOFLPWMCI-QOQOOIKZSA-N 432.604 6.534 0 40 IKAB biogenic COc1cc2cc(C(=O)Nc3ccc(C)c(C)c3)cc(-c3ccc(C)cc3)c2cc1OC 4263329 HPCFABQMFORSFK-UHFFFAOYSA-N 425.528 6.702 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1)c1cccs1 4290102 GRTPUCDLYHXTQH-UHFFFAOYSA-N 440.476 6.533 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)c(Cl)c2)cc1 8733618 HDVCFEDZJHJAMG-UHFFFAOYSA-N 433.722 6.301 0 40 IKAB COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 8755656 ALJIALGARQGPJP-ICSRJNTNSA-N 441.531 5.183 0 40 IKAB C[C@]12CCC3(C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]12)OCCO3 8788968 UMAHQZNUPCXKFC-RNIUOSIHSA-N 438.608 5.998 0 40 IKAB biogenic Cc1ccc(SCC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)c(C)c1 8885101 AAIRVXMBBUFGAB-UHFFFAOYSA-N 449.595 5.500 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 8904565 WKJWTSXOEVHVKE-UHFFFAOYSA-N 437.883 5.186 0 40 IKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2C)c1 8985490 JFIDJRDLHIYBNY-GOSISDBHSA-N 428.561 5.577 0 40 IKAB Cc1nnc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1C1CCCCC1 9125809 PWJJRBXHXWWETC-UHFFFAOYSA-N 431.562 5.085 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(F)cc1 9250203 JNQGEWIYSSTGKI-UHFFFAOYSA-N 438.524 5.464 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 9376432 GWDKQVGUNMVWCA-UHFFFAOYSA-N 436.345 6.394 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 9410763 XOILJQPCBYZIHR-DOMZBBRYSA-N 426.851 5.511 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2cccs2)nn1-c1ccccc1 9492236 KPFKFFFNWUEWLI-UHFFFAOYSA-N 428.473 5.008 0 40 IKAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4cc(Cl)ccc4OC)sc3n2)cc1 9569657 WQCUYRUEYQOQPB-UHFFFAOYSA-N 427.913 5.294 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccc(Cl)cc1 9584756 GEGYNDSACMNLIY-UHFFFAOYSA-N 436.345 5.989 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2coc(-c3cccs3)n2)n1C1CC1 9729704 BDGWTDMGHLLKGQ-UHFFFAOYSA-N 444.969 5.854 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)n1nc(NCc2ccccc2)nc1NCc1ccccc1 9933346 HEUBEPSEQZRZKA-DTQAZKPQSA-N 443.938 5.509 0 40 IKAB CCC[C@H](NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 10436004 IGHYYHXTBZAACW-QHCPKHFHSA-N 444.402 7.212 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CCCCCC2 12398729 ZEBIMOMKSQJSCL-UHFFFAOYSA-N 439.408 5.815 0 40 IKAB FC(F)(F)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 12617494 WTXRAXOOLHNSNI-IFMALSPDSA-N 428.841 6.601 0 40 IKAB COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1C 12644158 GETIHJXUYDPDQS-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB CCCCCn1cnnc1SCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 12848300 HYTFKMGJHPTKNN-UHFFFAOYSA-N 442.629 5.151 0 40 IKAB COc1ccc(NC(=O)CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 13018096 DFIKKEXQXKEANV-UHFFFAOYSA-N 430.529 5.650 0 40 IKAB Clc1c(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)sc2ccccc12 13062491 WHINTWCYFQPNKE-UHFFFAOYSA-N 441.990 7.021 0 40 IKAB O=C([C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1)N1CCCC1 13113005 MEXZKPAWKLFOBF-NRFANRHFSA-N 446.601 5.452 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 13301599 OBLRYJOBGAYEPF-BSUKRJNLSA-N 443.497 6.793 0 40 IKAB CCCCCNC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584272 JISODVNKOWVSPX-UHFFFAOYSA-N 444.622 5.096 0 40 IKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628286 QFAZZVRJLWUMOF-HXUWFJFHSA-N 444.575 6.259 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 13687782 UTQYSLFJZKCTQK-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)c1 13787256 XDIYZRSPOZLWSK-GGAORHGYSA-N 425.315 6.244 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 13799340 JCOSWLKWFVQNSZ-XNMGPUDCSA-N 446.978 7.070 0 40 IKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(Cl)cc1 14270537 NDIUEBLAMFGXLC-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO 14677063 RXILURRBPAWICG-MMSZMYIBSA-N 426.729 9.577 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 14801978 DGVBHPYDOBPFEK-UHFFFAOYSA-N 427.435 5.860 0 40 IKAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1cccc2ccccc12 15880652 PHMPSEZLPLAJHB-UHFFFAOYSA-N 436.924 5.775 0 40 IKAB COc1cn(CC(=O)Nc2cc(C)ccc2C)c(CSc2ccc(Cl)cc2)cc1=O 15883908 OWGVUWZMJVHHDD-UHFFFAOYSA-N 442.968 5.058 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1cccc(Cl)c1 16605991 PGZBHKHDESSYCE-AEXOJCPESA-N 440.027 6.766 0 40 IKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 16736044 DNSJRRPABIIHEX-XMMPIXPASA-N 440.499 5.507 0 40 IKAB COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1ccco1 16977369 ZCOSKMMWJOHYCB-UHFFFAOYSA-N 437.540 5.659 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)s1 19216918 ARWRJNKTCPYLIV-NRFANRHFSA-N 441.560 5.629 0 40 IKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20151108 AHTODWBUIYZTAO-QPJJXVBHSA-N 432.259 5.612 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 20797459 HMKBLJXHDDFFHB-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB O=C(CN1CCN(Cc2ccccc2)CC1)N(c1ccccc1)c1ccc2ccccc2c1 22931234 FZTFRRBTHWQZPN-UHFFFAOYSA-N 435.571 5.322 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23723416 DFEIFUFEHSMFGQ-OAQYLSRUSA-N 427.935 5.793 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 32093872 DLSSNFIZHVOHIM-KRWDZBQOSA-N 445.306 5.345 0 40 IKAB Cc1ccc(OCC(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1C 33607946 SFFCGOLAWWBPOQ-UHFFFAOYSA-N 447.585 5.472 0 40 IKAB FC(F)(F)c1cccc(N2N=N[C@H]3CCC/C(=C/c4ccccc4)[C@]32N2CCOCC2)c1 33660625 KFXWBCPFNYJMKN-ZREYVJCOSA-N 442.485 5.557 0 40 IKAB COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccc4ccccc4c3)C2=O)c(OC)c1 33676100 RQAZMTROVPBDLW-XKZIYDEJSA-N 435.501 5.102 0 40 IKAB COc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OCc1ccccc1 34706196 OTTJRELVSILPDG-UHFFFAOYSA-N 434.399 5.444 0 40 IKAB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)Nc3cc(C)n(Cc4ccccc4)n3)o2)c1 36611230 WPGZFMRRPYNZGQ-UHFFFAOYSA-N 443.547 6.096 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834599 SYZJMUQWADGIGE-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccccc2)CC1 39767903 PLPJFPLMIBITGG-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)c1)c1ccco1 40052437 PULYBAYNVPONHJ-UHFFFAOYSA-N 428.419 5.154 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1CSc1nc2ccccc2[nH]1 40159388 ZARHNPVQMHBSDB-UHFFFAOYSA-N 426.545 5.309 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccsc3c2=O)c1 57487439 ZZFRUYBLTUWIIO-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1C 58175566 KFLIWZASLSTNTD-OXQOHEQNSA-N 433.577 5.370 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)n2CCc2ccccc2)cc1 58556312 JFUVYAMLIBBBQR-UHFFFAOYSA-N 436.968 5.537 0 40 IKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccc(Br)cc1 72328534 OCKDGUKRYSIXPH-UHFFFAOYSA-N 446.776 5.745 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)Nc3cccc(CN4CCCC4)c3)sc3ccccc23)C1 72352642 GAOFMGONUJYGJG-FQEVSTJZSA-N 447.604 5.085 0 40 IKAB C[C@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 89905509 XOQIBEZUWPDJNL-GHTZIAJQSA-N 447.604 5.036 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@H]2c2ccsc2)cc1 95929200 VVOIPIOEQBNGNG-BJKOFHAPSA-N 448.588 5.404 0 40 IKAB Cc1oc(=O)c(C2=Nc3ccccc3S[C@H](c3ccccc3)C2)c(O)c1Br 96319398 QYLXYUPDKBPVFL-KRWDZBQOSA-N 442.334 5.774 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2c1C 102368121 LQXXNORXZILXHK-WMEZAQDKSA-N 437.634 6.014 0 40 IKAB COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(Cl)cc1 107792661 UCPWBYMPVARRNP-UHFFFAOYSA-N 440.790 5.461 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OCc1ccccc1 107980184 OVGMPGWYOCZUPU-UHFFFAOYSA-N 448.426 5.834 0 40 IKAB c1ccc2nc(CN(Cc3ccc4ccccc4n3)Cc3ccc4ccccc4n3)ccc2c1 169403245 LTGZMKPWCFEXIZ-UHFFFAOYSA-N 440.550 6.534 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 223048314 GHTPDWRTFBYSEM-VXKWHMMOSA-N 439.606 5.143 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 223310689 QZCIFRHWRYKNLN-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223701059 VYVPIRLEKGQBCG-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1cc(C(=O)N[C@H](c2ccccc2C)C(C)C)ccc1NS(=O)(=O)c1ccccc1 224000295 QKTGXOKMTHRBRV-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224181431 NCWCEZDZOXYLKR-LOSJGSFVSA-N 441.556 5.917 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 224554740 VCWZKZPKTAQEPC-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 224666989 MVHAFDMVIIJCTH-NRFANRHFSA-N 446.566 5.290 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl 225444926 SSGBXIXEQNFZNZ-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB 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COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 100971935 IAEIIBHELACHGY-LYZGTLIUSA-N 438.527 6.265 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccc(C(C)C)cc4)C3=C(O)C2)c(OC)c1 102665277 QPJUJBIYVDBKKG-CJAUYULYSA-N 444.535 5.484 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)cc1 102941980 VENREXJNMXUIOK-IEGGLYKVSA-N 428.532 5.292 0 40 IKAB O=C(CCCC(=O)Nc1ccc(Cl)cc1Cl)CC(=O)c1ccc2ccccc2c1 102978843 CEVHSFMXLSCQBI-UHFFFAOYSA-N 428.315 6.098 0 40 IKAB COC(=O)CC[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]3[C@@H](O)C[C@@]21C 123292145 DJODDBKOSONKJI-UCDHUZQTSA-N 448.644 5.137 0 40 IKAB O=S(=O)(O)C1c2cccc(c2)Cc2cccc(c2)Cc2cccc(c2)Cc2cccc1c2 164920619 LSPMSLHSCWOOHQ-UHFFFAOYSA-N 440.564 5.750 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 215139165 WTAYFQWHAXNFHV-AWQFTUOYSA-N 428.916 6.251 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220686909 ARZGBVAWJDRSGT-KRWDZBQOSA-N 443.396 5.102 0 40 IKAB CC[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 222732841 LULOZBLWBDOOIN-KRWDZBQOSA-N 428.381 5.511 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCCC1 223112345 MKEMVBKSEBNDQK-DHIUTWEWSA-N 435.618 6.131 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223481034 PXQWZPAZJCSAER-AREMUKBSSA-N 432.539 5.321 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 223656622 HAOGGJSMBMGUJB-HXUWFJFHSA-N 429.004 5.045 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c(Br)c1 224248501 SLFMMNPUAZCCRZ-UHFFFAOYSA-N 425.326 5.015 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224539719 UYOIORLTBQSCHO-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224611382 KVORUJFALZDSPE-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB O=C(O)C[C@@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(Cl)cc1Cl 225215223 VHUJJBFESXPPOW-CQSZACIVSA-N 426.350 5.106 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257201658 AILOSCDMOXKUAV-IBGZPJMESA-N 444.560 5.112 0 40 IKAB Cc1nc(CC(=O)N2CCCC[C@@H]2c2ccc(Cc3ccccc3Cl)nc2)cs1 257265042 LXAVMPSARBMIGH-JOCHJYFZSA-N 425.985 5.387 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Br)c3)N21 260786484 XOMZTWZWDZQYST-YSGRDPCXSA-N 446.414 5.611 0 40 IKAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)cc1 408633906 NDTDQBWXBLNFPQ-AQTBWJFISA-N 429.929 5.235 0 40 IKAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(Br)cc1 408692878 XMQSAMAJPZMFAW-UHFFFAOYSA-N 439.357 5.068 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 408694419 GKYZDMIECIOHMS-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1cccc(Cl)c1 408695654 RUYHZXAZIPPZSQ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1OC 408986107 LQGDWPDZYPTATD-PDGQHHTCSA-N 444.325 5.371 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 409029104 WBQJNMYIXXPZFX-RELWKKBWSA-N 430.935 5.755 0 40 IKAB O=C1/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)NC(=S)N1C1CCCCC1 409076725 CAQLUPGPKAJOKP-MOSHPQCFSA-N 444.959 5.448 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(Br)c1OCc1ccccc1 409120362 VOQVIMVXJSCJKJ-UHFFFAOYSA-N 440.381 6.601 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccccc3)cc2Br)c(Cl)c1 409131295 ITHSDCRTIITZES-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C1S[C@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 409143925 ONGPEMHTUNNOOS-JOCHJYFZSA-N 437.948 5.726 0 40 IKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl 409199594 PGOABTYIDCBERB-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB CC(C)[C@@H]1CC(CCNCc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 524734857 FPOYKKRDKDJKOG-UIOOFZCWSA-N 441.587 5.832 0 40 IKAB COC(=O)c1cc(-c2c(C)oc3c(C)c(OCc4ccc(F)cc4)ccc3c2=O)c(C)o1 970909 DDRAWQCKYSPTJI-UHFFFAOYSA-N 436.435 5.483 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)nc1C 997552 JOJFCBBTCOXCIX-UHFFFAOYSA-N 437.546 5.466 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)s1 1367160 RNJRCIOCSSKHQG-JOCHJYFZSA-N 433.577 5.207 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F 1381918 URPRSPZNDUMYPR-AWEZNQCLSA-N 426.850 5.200 0 40 IKAB CC(C)c1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1787777 OJBHTASYXGUEGC-UHFFFAOYSA-N 446.978 6.700 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1839451 KNPFGFHJBVFRNV-MHZLTWQESA-N 432.633 6.796 0 40 IKAB CCc1cccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 2122850 LWFXPFHTNHWVGT-UHFFFAOYSA-N 425.528 5.920 0 40 IKAB biogenic Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1 2199072 GASUXDXQUOHDQX-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)c1 2247366 ZLJQDUWUVGURGC-UHFFFAOYSA-N 448.913 7.081 0 40 IKAB C[C@H]1CCc2c(sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c23)C1 2294469 DUJHMVBTFPUBCP-INIZCTEOSA-N 446.597 5.547 0 40 IKAB Cc1cc(C)cc(NC2=C[C@@H](c3cccc4ccccc34)N(c3cc(C)cc(C)c3)C2=O)c1 2332098 KIJUUHCEMHWADZ-LJAQVGFWSA-N 432.567 7.157 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)NCCOc2cccc3ccccc23)cc1 2553822 NOCXKPDPAZVIIB-UHFFFAOYSA-N 439.555 5.740 0 40 IKAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)CSC3)cc1OCC 3008349 JKTRADBRFTUBKR-UHFFFAOYSA-N 437.565 5.286 0 40 IKAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)Nc1ccc(F)c(F)c1 3307690 JNKUUTXOUNRSPV-UHFFFAOYSA-N 440.471 5.140 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)O[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 3358334 BMPUKKJQDVOWNM-SFHVURJKSA-N 446.503 5.002 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@@H]2CCCc3ccccc32)cc1 3432249 UTKBPVALVYZDGU-SRUCCPAXSA-N 433.555 6.055 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)CCCC(C)C)n1-c1ccccc1 7941642 WMCKTHRPVBNEAG-QGZVFWFLSA-N 426.586 5.259 0 40 IKAB COc1ccc(-c2nc(-c3cccc(C(=O)c4ccccc4)c3)c(-c3ccccc3)[nH]2)cc1 8425669 FWCVEJPMNIASJG-UHFFFAOYSA-N 430.507 6.650 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)CCCc3ccccc3)c2)cc1 8452588 OYMOUJBGVBBOKX-UHFFFAOYSA-N 436.939 5.952 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c(C)c1 8757157 LRAXOLZWZWBTRD-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c(OC)c1 8877991 BEKYDHYCKLSXAD-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic C[C@@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 8879439 HJYPHUVDQQPLPC-FVFHPELPSA-N 448.632 5.355 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1C 8923073 XVRXNTRPRUJKJN-HHHXNRCGSA-N 447.962 5.315 0 40 IKAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(C)c2)cc1 9210728 PPKJMZAGIQKMOG-UHFFFAOYSA-N 427.533 5.420 0 40 IKAB Cc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(-c4ccccc4)cc3)nc12 9241939 SSPZIQICWOTLCF-UHFFFAOYSA-N 435.552 6.514 0 40 IKAB CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308802 XYWBWHPBOCBHCB-VWNXMTODSA-N 446.392 7.069 0 40 IKAB Cc1nc(COc2ccc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc2)cs1 9386033 NFHYCFGAVCMFHN-FQEVSTJZSA-N 435.574 5.618 0 40 IKAB Cc1cc2oc(=O)cc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)c2cc1Cl 9508299 BOTUXGRTJMSURR-UHFFFAOYSA-N 439.726 5.132 0 40 IKAB Cc1ccc2nc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)sc2c1 9544956 GFJFYNIEBRDWQI-UHFFFAOYSA-N 427.938 5.824 0 40 IKAB Cn1c(-c2ccc(Br)cc2)cnc1NCc1cccc(OCc2ccccc2)c1 9805392 CUUSFTMCIGPGPU-UHFFFAOYSA-N 448.364 6.041 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c(C)c1 10059085 CSQCMCKORHDSEO-SSEXGKCCSA-N 449.550 5.772 0 40 IKAB Cc1cccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 10110628 ZEEIRPFGOAWWBD-HHHXNRCGSA-N 444.600 5.132 0 40 IKAB O=C(NCCSCc1ccccc1F)c1ccc(CSc2ccc(Cl)cc2)cc1 10280246 KBFUGTNAWZLVEP-UHFFFAOYSA-N 446.012 6.435 0 40 IKAB O=C(Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1)c1ccc2ccccc2c1 11665532 MWWIZSKXASRJOW-UHFFFAOYSA-N 442.482 5.259 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@@H]2c2ccccc2)cc1 12338511 OATUGQVRSFARFU-WUMKDDEVSA-N 440.609 5.172 0 40 IKAB Clc1cccc(Cl)c1Cc1nc2ccccc2n1Cc1ccc(Br)cc1 12529239 SONDRQUHQFAJNK-UHFFFAOYSA-N 446.175 6.745 0 40 IKAB Cc1cc(C)c(C)c(OCCCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)c1 13015978 LLPUSMLPKXXABW-UHFFFAOYSA-N 440.591 5.668 0 40 IKAB CC(C)CNC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 13141030 RPOWKTHKFYMUEA-UHFFFAOYSA-N 436.625 5.392 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1C[C@@H]1CCCO1 13146226 PDJRCCRBTCMSJU-QHCPKHFHSA-N 433.504 5.116 0 40 IKAB O=c1[nH]c(CSc2nnc(Cc3cccs3)n2C2CCCCC2)nc2ccsc12 13147703 XGEWRJXCSXGUHD-UHFFFAOYSA-N 443.623 5.026 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 13499964 ZLDYXSIJBOJBMH-UHFFFAOYSA-N 439.610 5.372 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1cccc(F)c1 13561438 ZTMDSXWCSBPYIE-JOCHJYFZSA-N 440.515 5.473 0 40 IKAB CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(Oc5ccccc5)cc4)sc3nc12 13564161 SYPZICVRZANKRJ-UHFFFAOYSA-N 439.540 6.639 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4c(C)cccc4C)ccc32)cc1 13583662 NQXGBIJZCGYWEO-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB CCC(=O)Nc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C 16609876 CWJLUCLUNOXMML-DEOSSOPVSA-N 435.907 5.778 0 40 IKAB CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 16757515 IAXKAFLULCLIHK-UHFFFAOYSA-N 447.560 5.530 0 40 IKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 16992401 DUDHLUUIQFUVAS-UHFFFAOYSA-N 449.548 6.948 0 40 IKAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1cccc(OCc2ccccc2)c1 17096830 CONBWVMFHZEPMF-UHFFFAOYSA-N 430.451 5.411 0 40 IKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc2c(-c3ccc(F)cc3)cnn12 19817135 BGQCAZVZMMHPDX-UHFFFAOYSA-N 439.450 5.283 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1C 20487915 KTAREODJEVUKEG-UHFFFAOYSA-N 428.532 5.377 0 40 IKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccc(Cl)cc1Cl)C3 20610330 HTNNZQAQIGYPPT-UHFFFAOYSA-N 432.347 5.837 0 40 IKAB biogenic Cc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nn12 21595878 MOCVJNDAOGRLAZ-WYMLVPIESA-N 427.489 5.073 0 40 IKAB COC(=O)c1ccc(/C=C(\Cl)c2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1 22346705 PYXGDTLYAJWGMH-ATVHPVEESA-N 436.920 5.484 0 40 IKAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(CSc2ccc(Cl)cc2)cc1 24577383 SRJRXVKSISHBCI-UHFFFAOYSA-N 441.965 5.674 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC[C@H]1c1cccnc1 24767586 BVRJCSCGDNGXBP-GNNUASRNSA-N 426.545 5.373 0 40 IKAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 25918002 QBAHGYYNRCDKOM-YADARESESA-N 428.561 5.320 0 40 IKAB Cc1cccc(C2=N/C(=C/c3cc4cccc(C)c4nc3Sc3ccccc3)C(=O)O2)c1 27573006 VXSGLRJUUACFGN-XQNSMLJCSA-N 436.536 6.347 0 40 IKAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2ccc(SC(F)F)cc2)cc1 27649775 MIIBCYJHRCXOOK-UHFFFAOYSA-N 437.471 5.261 0 40 IKAB CCN(C(=O)COc1cccc(C)c1C)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993257 UELFDMOHMWMJAR-MUUNZHRXSA-N 426.560 6.110 0 40 IKAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 35039693 XMVUPQHRMOILMX-DISPHTKASA-N 435.954 5.301 0 40 IKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccccc2Br)cc1 40485427 DMKTVASFWAEOJQ-JOCHJYFZSA-N 434.333 5.810 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(-c2cc(C)c(Br)cc2C)o1 45957941 YRPPLFGGDQMPOP-AATRIKPKSA-N 428.120 5.665 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@@H](C)[C@H]32)ccc1OCc1c(C)noc1C 57991510 SWKLBDWPNPBGNR-AIIVDWBLSA-N 438.568 5.319 0 40 IKAB Cc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cc4ccccc4nc3Cl)C2)c1 89669245 AFSWDWGLKIEPCH-OAQYLSRUSA-N 435.911 5.129 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CSC[C@H](NC(=O)/C=C/c1ccco1)C(=O)O 95697840 YEWYGZOGAGEKLT-FIOJOJDNSA-N 445.625 6.015 0 40 IKAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C1=O)CCC2 98086358 CAJVUXYDKKGZTH-RGVLZGJSSA-N 448.371 6.117 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 100743906 BZJSCPSCOYZACM-SLFFLAALSA-N 436.600 5.484 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCC 106688137 JELDHQJBPPQROC-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223443209 OKXOBVHMPFGVKP-DQEYMECFSA-N 440.572 5.054 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223532128 ZQJCAXNDRHQLDS-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB Cc1ccccc1CN(C(=O)COc1cccc2ccccc12)[C@H](C)C(=O)NC1CCCC1 223781461 LEJIOLPLGKNLKU-OAQYLSRUSA-N 444.575 5.003 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 224081782 YAMKDSQIKHKHLA-UHFFFAOYSA-N 436.577 5.057 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1Cl 224134511 AUHGHIUYZCMZQU-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224426913 GUMDQYFYYAYDGZ-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)c1 224539787 OYQABTGPTKFLBN-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224616852 MYXZAFXLWWILGO-FQEVSTJZSA-N 435.539 6.220 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224789018 HUNLJBMYZLPRLG-IBGZPJMESA-N 426.988 5.057 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 224968854 HTLMBWJCPDBZSF-LJQANCHMSA-N 428.532 5.074 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225160278 IWZAZRWGJBGCMQ-RTBURBONSA-N 447.044 5.295 0 40 IKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 225477737 HIIHDNQEDRMSLO-HXUWFJFHSA-N 444.644 6.880 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 225504478 OQYAHLVRMADXEX-FQEVSTJZSA-N 434.914 6.743 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(Cl)c(Cl)c1 225831775 SFPUGCINLSZVCL-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257231373 GGKMRIIAWFEWDT-OAQYLSRUSA-N 435.430 5.176 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1C(=O)NC1CCCCC1 408551286 JXCHPFUCANKFQY-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1C 408558978 UUTPRQWJVOAQHU-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB O=C(COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(-c2ccccc2)cc1 408618865 HJYXSHXKBNXVRB-UHFFFAOYSA-N 434.850 6.446 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 408662867 MWPGMLWWSHUVFF-NRFANRHFSA-N 427.544 5.588 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408667880 QMYQHELLZCTZSC-GOSISDBHSA-N 433.935 5.624 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408699033 QZSNOVTZYVZXJV-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc(-c3ccccc3)cc2)c1 408724853 MEXJFOVEXYHWDR-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 408756045 XHDXWAWFSOBJLK-AXLDUSBXSA-N 441.530 5.924 0 40 IKAB Cc1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1 408823059 CGGJCSHZNUJKNH-UHFFFAOYSA-N 446.575 7.705 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409021506 KQSNJNZAPDJMBB-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)N(C)C2=S)cc1 409033990 MUSQZBZKKKHJGN-ZHZULCJRSA-N 438.936 5.603 0 40 IKAB COc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409175333 XGPUDFNNUQENTM-OTSSDEFXSA-N 438.571 5.922 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1ccc(Cl)cc1 585266052 BDMXHXNTZOBOHM-NRFANRHFSA-N 442.346 5.608 0 40 IKAB FC(F)(F)c1nc(-c2cccc(OC3CCN(c4ccnc5ccccc45)CC3)c2)no1 585266597 INTZUEBSBNGZQR-UHFFFAOYSA-N 440.425 5.351 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCCN1C(=O)CC1CCCC1 643584718 VQTFXQJJSVZPCC-QHCPKHFHSA-N 442.644 5.535 0 40 IKAB O=C1O[C@]2(CCCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CN1c1cccc(F)c1 1848355686 FQXPARKQPRDUDX-VWLOTQADSA-N 436.527 5.046 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 888250 PKMCGOJBGIEBCW-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919459 SLQZYQKTKIYSIX-LPHOPBHVSA-N 447.461 5.235 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 1224305 BOYSHDTZBGCJTJ-UHFFFAOYSA-N 449.620 5.767 0 40 IKAB O=C(NC[C@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 2120975 ULLQTRHOSBADBL-QHCPKHFHSA-N 441.918 5.500 0 40 IKAB biogenic CCOc1ccccc1-c1nc(C(=O)NCCc2ccccc2)cc2c1[nH]c1ccccc12 2122642 HTVHIDINRZSGQK-UHFFFAOYSA-N 435.527 5.754 0 40 IKAB biogenic CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(Cl)c3)N2C1=O 2255354 LVWGRGMQWYVKHX-QUCCMNQESA-N 440.952 5.122 0 40 IKAB CCCCCCn1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 2411820 UGHNKRPKMGQADF-UHFFFAOYSA-N 429.568 5.110 0 40 IKAB CCOc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1 2419642 ZWXJOZFQAIRUQY-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB CC(C)(C)C(=O)N[C@@H](Oc1ccnc(SCc2ccccc2)n1)C(Cl)(Cl)Cl 2679779 UVQLQQPKSRUSRV-HNNXBMFYSA-N 448.803 5.006 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012848 HKFBHCHIJUOPSX-HIFRSBDPSA-N 445.228 5.696 0 40 IKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1C 3097402 AGFFUTYXYBTQMM-UHFFFAOYSA-N 429.523 6.833 0 40 IKAB CN1CCCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CC1 3242569 WQZLWZHPTWQNRV-UHFFFAOYSA-N 448.781 5.640 0 40 IKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(Cl)c(Cl)c1 3249321 LOSIFGYBCYKHCO-UHFFFAOYSA-N 428.391 5.701 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)cc1 3329925 WJRHJGDVRHVTSL-UHFFFAOYSA-N 448.636 6.397 0 40 IKAB Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@@H](C)C2 3672096 UFZJEVSUXGBQNU-OAHLLOKOSA-N 435.618 6.243 0 40 IKAB C[C@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4550904 MBIHVWFEQLQTFF-CPJSRVTESA-N 426.560 6.246 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 8755664 RJTXHGHTYAGKQZ-GOSISDBHSA-N 431.923 5.267 0 40 IKAB O=C([C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1)N1CCCCC1 8766650 ARDNVLNUUVFXKI-LJQANCHMSA-N 449.982 5.077 0 40 IKAB O=C(CSc1nncs1)Nc1cc(-c2ccc3c(c2)CCCC3)nn1-c1ccccc1 8897775 WOHITWKWIRNPSK-UHFFFAOYSA-N 447.589 5.000 0 40 IKAB CC(C)Cn1c(S[C@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091498 WUOIOSFZYSZSQG-HZPDHXFCSA-N 444.000 5.064 0 40 IKAB Clc1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 9307222 OTKALMNBTLCIBV-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CCn1c(NC(=O)c2ccc(OC)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 9327818 UQEJVIPCZJBHOO-UHFFFAOYSA-N 432.907 5.603 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9464743 ASYQBHWBBHDSQO-OAHLLOKOSA-N 435.480 5.787 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1Cc1ccco1 9498594 IODLFKWNXJAHSG-UHFFFAOYSA-N 434.323 6.325 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(Br)cc2Cl)o1 9514494 WSUXAWSFPUIXDZ-UHFFFAOYSA-N 446.688 5.695 0 40 IKAB CC(C)(C)NC(=O)c1sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c2c1N 9910439 SEHCNUOHVFSQIN-UHFFFAOYSA-N 425.941 5.987 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 10128908 GVXJLWZVXVEQJV-XNTDXEJSSA-N 439.511 6.244 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccccc1 10314953 MWWROHNKGPZCTM-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1OC 12185689 QBIGXVAZKCIBGX-NRFANRHFSA-N 440.515 5.624 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 12311969 YSLGUYGGYDKIKD-KQWNVCNZSA-N 440.499 5.120 0 40 IKAB Cc1ccc(C(=O)[C@@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 12447549 IZLCZMCKMFJVOT-LBNPDIFZSA-N 436.463 5.516 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(Cc6ccccc6)CC5)(C4)C2)C3)cc1 12686173 WMCXGGQXWJTYAW-UXRGOTNFSA-N 428.620 5.177 0 40 IKAB Cc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)c(=O)[nH]c2c1C 12703930 RHWJJWULAIQSNK-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB CC1CCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)CC1 13073082 PBUZUIPOZZAWRE-UHFFFAOYSA-N 440.590 5.004 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)o2)cc1 13112475 FSIBKOHHWYESGA-AXVVYFOYSA-N 430.618 5.004 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N(C)c3ccccc3)n(C3CCCC3)c(=O)c2c1C 13135004 PTOMQLTZANLVDU-MRXNPFEDSA-N 441.622 5.334 0 40 IKAB Cc1cccc(N(C(=O)c2ccoc2C)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 13503527 OPLWZENGQSMPKG-XMMPIXPASA-N 434.511 5.482 0 40 IKAB CC(C)c1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccccc5)no4)cc3n2)cc1 13643102 ZILWQDWAXZIZKI-UHFFFAOYSA-N 449.436 6.256 0 40 IKAB COc1ccc(/C=C\c2nc3ccccc3nc2OCc2c(Cl)cccc2Cl)cc1 15321280 FASQSOQJUOAJAG-KAMYIIQDSA-N 437.326 6.695 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccco4)ccc3o2)cc1NC(=O)c1ccco1 16347646 UDWDLQIURSDYMK-UHFFFAOYSA-N 427.416 5.494 0 40 IKAB CCCCN(CCCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16712879 GNHBOSIJXVNEGT-UHFFFAOYSA-N 447.026 7.456 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)CC(C)=O)ncnc32)cc1 16757532 TVRFUZGDAPTMTF-SFHVURJKSA-N 431.561 5.946 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 17098274 RSACGOPARZNVHY-UHFFFAOYSA-N 432.955 6.286 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 17100914 KGUJJHRXQHOZHT-QGZVFWFLSA-N 436.939 6.123 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 17102772 HYPFTNWWKDQHCH-UHFFFAOYSA-N 438.858 6.233 0 40 IKAB CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 19085080 LSQXJKGEVRONDB-UHFFFAOYSA-N 425.598 5.288 0 40 IKAB CC(C)n1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccccc2)nc2ccccc21 19689985 WJERBPXXTQOIRW-DEOSSOPVSA-N 440.595 5.477 0 40 IKAB COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745145 DEUUJCSICQJHPN-VWLOTQADSA-N 440.543 5.781 0 40 IKAB CSc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797325 QUCHDSBCAXHAJE-XMMPIXPASA-N 440.572 5.994 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCC(C)CC2)o1 21659836 OCYGBMOFBAVSND-HXUWFJFHSA-N 428.960 5.807 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c1 22275065 XSCRPDOAAFLDFU-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2cnc(-c3ccccc3)nc2)cs1 22282465 VGYJGQHYDMUVCX-VAWYXSNFSA-N 428.517 5.139 0 40 IKAB COc1ccccc1C1=C(CN2CCOCC2)[C@@H](c2ccc(F)cc2)c2ccccc2O1 25178246 ALSUGJCUGQVFHU-SANMLTNESA-N 431.507 5.102 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(Cn5ccnc5)c4)cc3)o2)c1 25178587 QDGZYIQRMCLDNP-UHFFFAOYSA-N 435.487 5.209 0 40 IKAB COCCn1c(SCc2cccnc2)nc2scc(-c3ccccc3Cl)c2c1=O 27771566 ZSLULEUPDRFDRW-UHFFFAOYSA-N 443.981 5.112 0 40 IKAB CC(=O)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 28121477 QVIKKJJSGKNIFX-QHCPKHFHSA-N 437.312 6.207 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc4ccccc34)C[C@H]3CCCO3)oc2c1 28251467 PEQBBWAEEUXGBV-OAQYLSRUSA-N 427.500 5.076 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 30858066 XPHUKZNHBJVEJO-UHFFFAOYSA-N 436.964 6.011 0 40 IKAB COc1ccc(NC(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)cc1 32610405 SQXSMDYNQDQLSD-UHFFFAOYSA-N 435.311 5.496 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 32855862 DDGLOCPYJUALBB-HOTGVXAUSA-N 437.490 5.617 0 40 IKAB COc1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 35324155 FBJLPYMCBZFUML-RIEIJRLCSA-N 436.592 6.419 0 40 IKAB Clc1ccc(-c2nnc(Sc3ncnc4sccc34)n2Cc2ccco2)cc1 40020247 OOUDBRKBDYFGBS-UHFFFAOYSA-N 425.926 5.396 0 40 IKAB Cc1ccc(CSc2nc3ccccc3o2)c(CSc2nc3ccccc3o2)c1C 40545152 ZQCOWEHLDHLBKH-UHFFFAOYSA-N 432.570 7.170 0 40 IKAB CC(C)c1nc(Nc2ccc3[nH]nc(-c4ccc(Cl)c(Cl)c4)c3c2)c2ccccc2n1 41195121 MJGFSPYZZXPYSA-UHFFFAOYSA-N 448.357 7.347 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1C1CCCCC1)Nc1cccc(Cl)c1 44086244 TUUWDLZFFGWQQR-UHFFFAOYSA-N 425.985 6.440 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccc(Br)cc1 46022414 SROILZOYSMGDIY-UHFFFAOYSA-N 448.411 5.354 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 59477534 LPKMEEADNBIYIS-BMRADRMJSA-N 433.463 6.372 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2n2c(C(C)C)nnc12 64949254 NSQJWBIGJOVVQU-UHFFFAOYSA-N 425.945 5.094 0 40 IKAB CC(C)(C(=O)NCc1ccnc2ccccc12)[C@@H](O)c1cccc(OCc2ccccc2)c1 89621128 ORJCYCUPBXVRNK-SANMLTNESA-N 440.543 5.190 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3cc(C)ccc3n2)cc1 102640743 SQINHRUMHNTJQA-QQURRQIPSA-N 428.576 6.163 0 40 IKAB O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 103004889 PQPWLVDAOBTYCZ-UDWIEESQSA-N 443.717 6.287 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1 214631509 QROHTKBHHBEQJE-BUVRLJJBSA-N 445.540 5.819 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1 216383610 SIKSLMHQDYCCIS-QHCPKHFHSA-N 448.588 5.220 0 40 IKAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220691539 PCZSOKNGTSTWAB-IBGZPJMESA-N 443.396 5.300 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222701120 WIUJKFWJSDWVBV-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCC2 223225080 DSQLIPFHIXXJON-QGZVFWFLSA-N 441.413 5.027 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223869229 WOBGAXDRQSXFMT-IBGZPJMESA-N 442.600 5.092 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1C 224277268 RVNCZFMRRYEUAO-LOSJGSFVSA-N 440.572 5.372 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224407404 YFUNIVDUHADXHH-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224574767 WCQIIXVAWBOHMD-DNQXCXABSA-N 432.593 5.574 0 40 IKAB Cc1ccc(SCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1 224619664 CKLCPVCKMXZPJQ-JWGURIENSA-N 436.602 5.044 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224968811 XQNDVPJMKSXKEL-UHFFFAOYSA-N 446.422 5.834 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225340653 BCWQPZKKFKKNKJ-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB COc1ccc(SCCCNC(=S)Nc2ccc(Br)cc2F)cc1 225803330 LOCXDCXHLOTFON-UHFFFAOYSA-N 429.380 5.066 0 40 IKAB O=C(c1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1)N1CCCCC1 225809390 YZKZHALTTYNXNU-UHFFFAOYSA-N 431.605 5.385 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 245232657 ZNCTWZQIKCQSOU-KEKSMWEKSA-N 433.507 5.119 0 40 IKAB CCOC(=O)N[C@H](CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 409002618 ORQIDQJXBUQLRK-HSZRJFAPSA-N 437.536 5.338 0 40 IKAB CCCc1sc2nc(SCC(=O)Nc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409114063 IKGFCFPWCMUQBQ-UHFFFAOYSA-N 449.601 5.439 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409199446 DHKCVUWLCGUOQX-KQWNVCNZSA-N 439.577 6.199 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409358682 FYHBURJGBFQYCK-UHFFFAOYSA-N 448.564 5.049 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccccc1Cl 409375604 MYQYXJKJWPIVEM-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccc2ccccc2c1 1615055616 JXHSIVCRHOHQNP-HXOBKFHXSA-N 442.481 5.109 0 40 IKAB CSc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 866519 ZSMHPDNWGIDING-CJNGLKHVSA-N 438.500 5.579 0 40 IKAB COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3cccs3)n2)c1 881130 RWGYTWUWBNWSAQ-UHFFFAOYSA-N 426.519 5.329 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c(C)c1 884957 QBUACMKGWZAYIX-UHFFFAOYSA-N 445.588 5.754 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(COc2ccc3ccccc3c2)n1C 898627 GELPABFRQWJSPB-GOSISDBHSA-N 446.576 5.283 0 40 IKAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)(C)C)cs1 1366741 HKJHXJNWSPHRLY-UHFFFAOYSA-N 435.549 5.006 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C 1448857 OLXKBMWTPOHITG-OAQYLSRUSA-N 444.000 5.200 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 2093787 PIRHXOZNPDKPCL-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3ccccc3Cl)c(=O)c(C)nn2-c2ccccc2)cc1 2223371 GKIVSTHTFVZTIB-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccccc3F)c2cc1OC 2691316 QNARIASJFCXJGK-UHFFFAOYSA-N 441.506 6.025 0 40 IKAB O=C(COC(=O)COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2ccccc2c1 3238958 BMFWFTYMYZZJMF-UHFFFAOYSA-N 438.694 5.361 0 40 IKAB Cc1cccc(C)c1NC(=O)C[C@H]1SC(N(c2ccccc2)c2ccccc2)=NC1=O 3324948 VIKBGRPSSNNHEF-OAQYLSRUSA-N 429.545 5.468 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ncc(Cl)c(C)c3Cl)sc2c1 3330384 WMJUZBKDQVNKAI-UHFFFAOYSA-N 428.366 5.436 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Cc3ccccc3)c3ccccc3n2)cc1 3437624 HHJMFTIULRXRJM-UHFFFAOYSA-N 444.534 6.754 0 40 IKAB O=Cc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 3764990 AKSIHCCITXXWPE-UHFFFAOYSA-N 438.930 5.910 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 4104758 MCXULCLKYCWUMP-NQHPMUQMSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro COc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1 6177067 PMKZKUMJZOODBM-UHFFFAOYSA-N 432.501 5.982 0 40 IKAB COc1ccc(C(=O)N(CCCN(C)C)c2nc(-c3ccc(Cl)cc3)cs2)cc1 6878634 QKCBTTXANGWIFV-UHFFFAOYSA-N 429.973 5.071 0 40 IKAB Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(C34CC5CC(CC(C5)C3)C4)ccc12 8450983 FPGBKRRLKZFWGB-UHFFFAOYSA-N 432.545 5.306 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 8708493 QWCRBEMEOAHZBV-MRXNPFEDSA-N 431.517 5.532 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 8923422 KLHBHCSLZHQWMC-JOCHJYFZSA-N 447.560 5.163 0 40 IKAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)c(C)c1 9007929 BPIQUHNMYIPFFC-UHFFFAOYSA-N 449.532 5.132 0 40 IKAB Cc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccc(Br)cc3)C2)cc1 9046598 CEHHIJXBWACYMT-BFFNPARHSA-N 445.360 6.149 0 40 IKAB C[C@H](Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1)c1ccccc1 9095479 XQRKIXGAVKNEFA-QGZVFWFLSA-N 442.544 5.389 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 9134799 VOUFFQCSFHNWGF-UHFFFAOYSA-N 447.347 5.286 0 40 IKAB CCCNC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 9158491 BWFLGRZRPDDOGM-UHFFFAOYSA-N 429.539 5.998 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)c(C)c1 9250094 MWWFAOFXLUHKTK-UHFFFAOYSA-N 447.604 5.915 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3n2)cc1 9379929 HPLZRZJIGCCCMV-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc2ccc3nc(SC)sc3c2s1 9404746 MNNGLPSPTODIAI-UHFFFAOYSA-N 437.571 6.042 0 40 IKAB CCCN(C[C@@H]1COc2ccccc2O1)C(=S)Nc1ccc(Oc2ccccc2)cc1 9441880 CERYLEGTKYGNFA-JOCHJYFZSA-N 434.561 5.728 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2S1 9465180 RWDATPKHGDKXSM-INIZCTEOSA-N 436.606 5.154 0 40 IKAB Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3cccc(Cl)c3)oc3ccccc23)c1 9518327 JPLOYRUGAYPBGU-UHFFFAOYSA-N 434.879 5.664 0 40 IKAB CC(C)Cn1c(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccco1 9566760 PLPGVQSZOZOMHR-RNXZQOMOSA-N 442.629 5.007 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@H](c1ccccc1)c1cccs1 9619939 HRJJOWSSYLATPI-XMMPIXPASA-N 447.629 5.443 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 9790658 IPMSVVCPZKAOTO-UHFFFAOYSA-N 439.635 6.066 0 40 IKAB CC(C)(C)OC(=O)N1CCC2(CC1)N=C(SCc1ccccc1)C(c1ccccc1)=N2 9939796 BVAQTNAKGSXFLX-UHFFFAOYSA-N 435.593 5.548 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 12160618 CIBZZCQOXBLLDK-NJAFHUGGSA-N 426.527 5.113 0 40 IKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc5c(c4)OCCCO5)sc32)cc1 12568505 XCVAFYXYBLULGT-UHFFFAOYSA-N 433.533 5.177 0 40 IKAB COc1ccc2c(c1)c(CC(=O)OC/C=C/Cl)c(C)n2C(=O)c1ccc(Cl)cc1 12693818 DMHJXNFZSYOBLX-XCVCLJGOSA-N 432.303 5.138 0 40 IKAB COc1ccc(CNC(=O)[C@H](C)Sc2nnc(Nc3cccc(Cl)c3C)s2)cc1 12780894 SYKGMYCATZFXMT-ZDUSSCGKSA-N 449.001 5.049 0 40 IKAB CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 12848507 CSLZLCJYCQWQSN-LEWJYISDSA-N 442.485 5.921 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(C)Cc1cccc(F)c1 12911931 QJHDRGGJWABIJX-MRXNPFEDSA-N 440.588 5.058 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 13712747 KQEXPQCLPQQHQR-PKTZIBPZSA-N 442.519 5.699 0 40 IKAB COc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1OC 16070065 ULJOOWPICAMKPZ-IBGZPJMESA-N 434.923 5.400 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 16323148 MTVCTERYMICCMW-UHFFFAOYSA-N 432.520 5.506 0 40 IKAB COc1ccc(C(=O)Cn2nc(COc3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 16769108 CTRXGMCKMALGCS-UHFFFAOYSA-N 445.544 5.182 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3)c(=S)n2-c2ccccc2)cc1 16769668 WFTCGHIYUGSPSU-UHFFFAOYSA-N 434.952 5.671 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 17096950 JDGNEQTUUDGTKW-KRWDZBQOSA-N 430.504 6.034 0 40 IKAB CCOc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19647873 DYPGOOWQUOSTJL-MRDQGFSESA-N 448.588 5.257 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 19648284 FGQPHAKHRFMUKW-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB CCn1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 19689343 VVOKUEUFDRHZBU-HSZRJFAPSA-N 444.558 5.055 0 40 IKAB COCc1cc(CN2CCC(c3cc(-c4cncnc4)cc(C)n3)CC2)ccc1OC(C)C 19692131 MBXAPOWCLNMNQL-UHFFFAOYSA-N 446.595 5.160 0 40 IKAB C[C@@H](Sc1ncnc2ccccc12)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 21464973 XABOQHPXFQVQDH-LLVKDONJSA-N 428.489 5.151 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)sc2c1 21595900 LEJYXSLNVWBQAI-UHFFFAOYSA-N 425.554 5.348 0 40 IKAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1csc(-c2ccsc2)n1 24797713 LDAFDZBDTJCLIM-UHFFFAOYSA-N 425.501 5.140 0 40 IKAB Cc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1C 27662207 ZGWAIWRFNFDENL-UHFFFAOYSA-N 426.270 5.423 0 40 IKAB CCCC1=NN(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)[C@](O)(C(F)(F)F)C1 32100706 YUDVKTYLNNAFEX-HSZRJFAPSA-N 448.485 5.031 0 40 IKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCc1ccc2c(c1)OCO2 32845794 AYIBYFPWHLQRSB-UHFFFAOYSA-N 442.309 5.029 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 33653077 CNJNVUAFHBDCIU-OAQYLSRUSA-N 447.343 5.613 0 40 IKAB O[C@]1(C(F)(F)F)[C@H]2C[C@H](c3ccccc3)CCC2=NN1c1nc(-c2ccccc2)cs1 35999485 YEJCZMYYHNDOTN-FGSXEWAUSA-N 443.494 5.821 0 40 IKAB CCCC[C@H](CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21 38845284 OLOMDFPWMJQODN-AWEZNQCLSA-N 437.219 7.536 0 40 IKAB in-vitro COc1cc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(C)c(C)c3)c2cc1OC 44170105 VSJKFTOAHHOJFZ-UHFFFAOYSA-N 433.552 5.485 0 40 IKAB CC(=O)Nc1cc(C(=O)O[C@@H](c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C 48325856 RCTPVFZNDSKNMV-QFIPXVFZSA-N 433.895 5.430 0 40 IKAB COc1ccc(N(C(=O)c2cc(C3CC3)nc3c2c(C)nn3C(C)(C)C)[C@@H](C)C2CC2)cc1 58145945 CGUOLAQOUCIHRP-KRWDZBQOSA-N 446.595 5.826 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)o2)c1 59179510 KSOPRLRQGJEMPJ-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 59399027 JJPDVSRANSMFTH-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1CCc1ccc(Cl)cc1 71327661 CWKRSZDVFYGNQC-UHFFFAOYSA-N 447.412 6.300 0 40 IKAB O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(N2CCOC2=O)c1 72307966 YZSZDZYSJJVMMT-OAHLLOKOSA-N 433.304 5.122 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(=O)c1ccc(Br)o1 77160636 VUJMONJBBAOSMX-HNNXBMFYSA-N 431.311 5.104 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 89662110 GRHRAEJAGOWHKT-UXHICEINSA-N 445.991 5.749 0 40 IKAB CCN(CC)CCCNC(=O)c1ccc2onc(-c3csc(-c4ccc(C)cc4)n3)c2c1 96037910 QGXKSQHOGGYHSH-UHFFFAOYSA-N 448.592 5.388 0 40 IKAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(CC(c3ccccc3)c3ccccc3)C2)C1 96202441 PTGVOZMCVLPCTJ-UHFFFAOYSA-N 445.006 5.249 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1 106971820 GKWJUNBYODVPQN-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 106974720 NMRWFACPDGUKGA-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C 118936402 HIKOFMOIGVJKRE-DVGCOUNYSA-N 444.744 7.484 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 205692791 AFGDCYBMFFWQGG-HYARGMPZSA-N 447.512 5.018 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219354433 LHLQFGDTXITUPE-OAQYLSRUSA-N 435.911 5.359 0 40 IKAB Cc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222734291 VPMQXQFKJLKETF-IBGZPJMESA-N 445.003 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 223080459 OJYJQNNMDKFDCU-RTBURBONSA-N 445.003 5.174 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223123046 GSFNPNMTJHBWEE-DEOSSOPVSA-N 434.967 5.006 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223135376 XUZBKUCAPXFBJW-NRFANRHFSA-N 447.044 5.295 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 223224805 ASHXNSZMGWXFLS-MRXNPFEDSA-N 431.407 5.572 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223348715 PQNAQCJCCIYWCY-QFIPXVFZSA-N 445.003 5.003 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223940935 XVPQZFNZKJCAIM-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224823245 OCDOGFAZARCSJQ-HHHXNRCGSA-N 442.603 5.092 0 40 IKAB O=C(c1ccccc1Cl)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256947 LOCYZQOXELBWSK-XDHOZWIPSA-N 427.982 5.596 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225453385 NKGHXPKLOGYVEY-FGZHOGPDSA-N 430.592 5.147 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225529522 CIIVZNRIASYRRR-URXFXBBRSA-N 440.653 5.508 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(Br)c(Cl)c1 225601116 GZWIPAQOJLDZOP-UHFFFAOYSA-N 443.863 6.021 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC 225763720 TYRODSJDSRYMBZ-QGZVFWFLSA-N 443.971 6.145 0 40 IKAB CC(C)c1ccc(Nc2cnn([C@@]34C[C@H]5C[C@H](C[C@@](C(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1 245232528 XCFKVOLUJUCZML-RIQHXCIPSA-N 441.959 5.144 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2cccc(F)c2)n1-c1ccccc1 252536641 JAWYOOWVGWYLCU-UHFFFAOYSA-N 427.504 5.812 0 40 IKAB CCCOc1cc(OC)ccc1-c1ccc(C(=O)N(C)CCO)c(CCc2ccccc2)c1 257286744 PMVUICNSBRRUCF-UHFFFAOYSA-N 447.575 5.001 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 260762619 GXNCZORZSHCQSE-YGOYIFOWSA-N 431.630 6.521 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc(Cl)ccc1O 408599870 NHXFKGHMZAMZPC-UHFFFAOYSA-N 448.935 5.295 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1 408698295 OUEGNTOPFDRLDO-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1cc(C)ccc1C 408833505 SRXCXANGYCPOQE-UHFFFAOYSA-N 426.585 7.299 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccccc2Br)cc1 408841927 IQZBMXCNMNXEGU-RCCKNPSSSA-N 448.320 5.077 0 40 IKAB COc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OC(C)C 409131495 JEYCFPKDBKSFQV-XSFVSMFZSA-N 445.968 5.805 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409156602 KUXJKDBUIIQINS-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB CCN(CC)CCOc1ccc([C@@H]2OC[C@@H](c3cccc(Cl)c3)C[C@H]2C(C)C)cc1 585292469 NDRGBUILCXWBMK-HRNNMHKYSA-N 430.032 6.578 0 40 IKAB CCC1CCC(N2CCCCCCCN(C(=O)COC)c3ccc(C(=O)O)cc3C2)CC1 643583146 SBZQDAGQIYMEIP-UHFFFAOYSA-N 444.616 5.099 0 40 IKAB C[C@H]1CC[C@@H]([C@@H](C)[C@H]2[C](O)C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)N(C)C1 1560408656 JAMDWPGNTQFMMB-XKWURVGJSA-N 428.681 5.807 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc2ccccc12 1615055669 KZZOIKVLHMOLJX-GAJHUEQPSA-N 442.481 5.109 0 40 IKAB O=C(Nc1cccnc1Cl)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820965 ZUBRNRNPBYKCTL-UHFFFAOYSA-N 425.879 5.364 0 40 IKAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 863428 CJGSNIRPRUZHLE-UHFFFAOYSA-N 436.961 5.432 0 40 IKAB Nc1ccc(-c2nc3cc(Cc4ccc5nc(-c6ccc(N)cc6)[nH]c5c4)ccc3[nH]2)cc1 1145631 SCUWNIHBUXBXKG-UHFFFAOYSA-N 430.515 5.528 0 40 IKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cc(C)ccc1C 1353544 RMSJJVBQMHTSHV-UHFFFAOYSA-N 433.483 5.003 0 40 IKAB CC(C)c1nc(SCC(=O)NCc2cccs2)c2c3c(sc2n1)C[C@@H](C)CC3 1375695 FEUHFNBSBGBPIT-ZDUSSCGKSA-N 431.652 5.410 0 40 IKAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2ccc(Cl)cc2)n2c1CCC2 1582991 LWBRTXHWARELLI-UHFFFAOYSA-N 447.963 5.024 0 40 IKAB COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 1837666 UACIDLHDKXVDTL-QFIPXVFZSA-N 425.315 5.650 0 40 IKAB aggregator Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3ccccc3)cc2)cc1C 2079650 UMOZMDZEHWNFPC-UHFFFAOYSA-N 431.488 5.241 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 2093588 CWOGBPHDJCZWMR-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CCCOC(=O)c1ccc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 2122798 XPBXQUYHXPYZSD-UHFFFAOYSA-N 441.483 5.383 0 40 IKAB biogenic Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(Cl)c(Cl)c1)CO2 2159515 YVIYSGPIBNFPQG-UHFFFAOYSA-N 438.310 6.432 0 40 IKAB biogenic CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 2384513 SBVROASOQQIFJD-AYWVHJORSA-N 442.927 6.545 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc(O)cc3)sc2c1 2435971 OSBDJMGWIOWAJN-NRFANRHFSA-N 440.480 5.167 0 40 IKAB CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Cl)n3)cc2)cc1 3012067 KIDLTEKEEIWZFV-UHFFFAOYSA-N 432.951 7.683 0 40 IKAB O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)Sc1ccccc1Cl 3041339 XAABMYMFBQNSMD-UHFFFAOYSA-N 439.751 6.181 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3109493 MBXATDCEGFNYPH-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Oc1ccc(C(=O)c2ccc(F)cc2)cc1 3324349 UTACEWQNMZKRJS-UHFFFAOYSA-N 449.330 6.202 0 40 IKAB COc1ccc([C@@H](CNC(=S)c2ccc(C(C)(C)C)cc2)c2c[nH]c3ccccc23)cc1 3348961 MQUDDKILODXDNE-XMMPIXPASA-N 442.628 6.571 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3ccc(-c4ccc(OC(C)=O)cc4)cc3)sc2c1 3410110 DEGSLUUJJGYSEV-UHFFFAOYSA-N 444.556 6.484 0 40 IKAB CCN(CC)CCOc1ccc2c(-c3ccccc3)c(-c3ccc(OC)cc3)c(=O)oc2c1 4946141 SRPNFNKUZFCGIQ-UHFFFAOYSA-N 443.543 5.856 0 40 IKAB CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 6110706 VSMRZPLERYOSES-QGZVFWFLSA-N 432.549 5.688 0 40 IKAB Fc1ccccc1/C=C/c1nc2ccccc2c(=S)n1-c1cccc(C(F)(F)F)c1 6445499 XOOCCLRFFRRCAL-OUKQBFOZSA-N 426.438 7.083 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 8450984 WENDESDQSKHBNF-UHFFFAOYSA-N 437.008 6.906 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 8755299 SEDCEESSNFKADP-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810366 NJUTVAFTDNVSQA-UHFFFAOYSA-N 446.931 5.403 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2cc3c(s2)CCCCC3)cs1 9128271 IUUTYMWTBJNGMZ-UHFFFAOYSA-N 440.590 5.320 0 40 IKAB Cc1oc2cc(O[C@@H](C)C(=O)N3CCc4ccccc4C3)ccc2c(=O)c1-c1ccccc1 9446111 YRXINZHWTARJLZ-IBGZPJMESA-N 439.511 5.121 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1C 9571655 RTHQFICIDOFLAC-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB CC[C@@H]1CCCCN1C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 9644055 VDNYJXBMOBDQHB-TZMCWYRMSA-N 428.048 5.588 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCCC)cc4)cc3n2)cc1 9667270 PGLHJKFJSCIADW-UHFFFAOYSA-N 442.563 6.113 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C)cc1 10315178 OXQLHSSJKPCOMX-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1OC 12318512 LVZMIAHNYYARKX-TZRRMPRUSA-N 441.354 6.236 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 12401756 GMIJKBQEOIWYHJ-AREMUKBSSA-N 430.573 5.837 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccc(F)cc2)cc1 12482430 RPUPGXIUKYJHBM-UHFFFAOYSA-N 448.925 6.187 0 40 IKAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Br)cc32)cc1 12485281 YUESHMBWENCIKJ-UHFFFAOYSA-N 440.728 5.545 0 40 IKAB COc1ccccc1NC(=O)CSc1cc(C)nc(SCc2ccc(Cl)cc2)n1 12498588 QAMGYVJBQKBAMT-UHFFFAOYSA-N 445.997 5.470 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2OCc2ccc(Cl)cc2)cc1 12623637 XOVVONPDTGRRNL-KRWDZBQOSA-N 437.923 5.665 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1cccc(Cl)c1 12788033 CSSXCACCBVATRW-UHFFFAOYSA-N 449.860 5.003 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3cccs3)cc2)cc1 13683451 NAJBIMPORYYWAO-UHFFFAOYSA-N 428.579 5.168 0 40 IKAB Cc1ccc(OCCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 13828274 UGRCQTZNGAUXOM-UHFFFAOYSA-N 433.596 5.443 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=CC3=C2[C@H](c2ccccc2)n2ncnc2N3)cc1 15303486 COOSSAZYXWEGIW-IGKIAQTJSA-N 432.527 5.827 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 16576187 PIBYFMXADJGRML-MKAFVFIBSA-N 441.015 6.017 0 40 IKAB COc1cc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc(OC)c1OC 16758713 GLTVCNKJBXASDQ-UZUQRXQVSA-N 440.883 5.201 0 40 IKAB CCc1ccc(N(CC(=O)c2ccc(Oc3ccccc3)cc2)C2=NCCCS2)cc1 16768891 BTZJNJUAGHIXSH-UHFFFAOYSA-N 430.573 6.224 0 40 IKAB CN(C)[C@H](c1ccc(Cl)cc1Cl)c1nnnn1C(c1ccccc1)c1ccccc1 19229050 DCPRWSAKVKOXIU-JOCHJYFZSA-N 438.362 5.269 0 40 IKAB Cc1cccc(-c2cc(-c3cccc(C)c3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)c1 19635183 PHKDOVKTOLKWFM-UHFFFAOYSA-N 441.987 7.600 0 40 IKAB CCOc1ccc(NC(=O)c2cnc(Nc3nc(-c4ccccc4)cs3)nc2C)cc1 19819568 CJCALAOVFPDXRG-UHFFFAOYSA-N 431.521 5.303 0 40 IKAB O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)NC12CC3CC(CC(C3)C1)C2 20436566 DEXHUOWQYFTVIC-UHFFFAOYSA-N 436.396 5.089 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2cc1C 21578560 OPPHFAFEXRRMLC-UHFFFAOYSA-N 432.523 7.339 0 40 IKAB O=C(Oc1ccc(/C=N/NCc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 21964266 GVWHIDQDRPKVMO-AFUMVMLFSA-N 443.728 5.445 0 40 IKAB Cc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 22255832 NZMODONSDGBIHD-HSZRJFAPSA-N 446.595 5.255 0 40 IKAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)COCc1ccccc1Cl 24060511 PCLFJPKCJCFBOK-QUCCMNQESA-N 436.939 5.407 0 40 IKAB CCc1cccc2c(C(=O)[C@@H](Sc3nc(C)c(CC(N)=O)s3)c3ccccc3)c[nH]c12 24902078 BNGNVIYNKVEJKQ-QHCPKHFHSA-N 449.601 5.239 0 40 IKAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)c(Cl)c2)cc1 27526604 XZCVUJGGHOCZRM-UHFFFAOYSA-N 443.910 5.044 0 40 IKAB N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)C(=O)Nc1cc(Cl)ccc1Cl 28393627 KHFOVIBBCCXOLB-LCYFTJDESA-N 428.231 5.707 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30862807 ZTEKGCIRBSGBDQ-RUZDIDTESA-N 430.548 5.698 0 40 IKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 32624634 PSFCOENHPNHSRS-UHFFFAOYSA-N 447.516 5.290 0 40 IKAB O[C@@]1(c2cccs2)c2cccc(Cl)c2[C@@](O)(c2cccs2)c2cccc(Cl)c21 33716542 CQLPZIXZXBMJOU-SZPZYZBQSA-N 445.392 5.998 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1C 34795309 ALQPLEXNCYJLFY-CQSZACIVSA-N 449.407 5.697 0 40 IKAB Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400552 INGQAZPKHHYNPG-UHFFFAOYSA-N 445.925 5.857 0 40 IKAB CCOc1ccc(C(=O)CSc2nnc(-c3ccsc3)c(-c3ccsc3)n2)cc1 57742476 ZROAVDCKACJHDC-UHFFFAOYSA-N 439.587 5.702 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 59195080 WEHAXCFJBNFEAA-NDENLUEZSA-N 447.874 5.221 0 40 IKAB CN(C(=O)Nc1ccccc1OCC(F)(F)F)[C@@H](c1ccc(Cl)cc1)c1cccnc1 72277979 GIQDHRANHCJEGU-FQEVSTJZSA-N 449.860 5.929 0 40 IKAB COc1ccc(F)c(CN2[C@H]3CC[C@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)c1 100487484 YZKYGPBGTGLNCH-CYFREDJKSA-N 428.511 5.114 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2Cn2nc(-c3ccc(F)cc3)n(-c3ccccc3)c2=S)C1 102161591 SKUSHLNSHLKGIY-SQJMNOBHSA-N 436.600 6.067 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Br)c1OCc1ccccc1 107027661 NNCXJOKKRLUETQ-UHFFFAOYSA-N 442.353 6.048 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 223328670 QMUQCDOPKAGYCN-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223429214 KMFZVCMTABYWIA-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB CC(C)C(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)C(C)C 224019640 TUTICYRXKKZRDR-UHFFFAOYSA-N 443.396 5.205 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1Cl 224350732 AKPDLSUNUDHCPO-UHFFFAOYSA-N 448.371 6.555 0 40 IKAB CN(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224434864 XZQDUPGNCGNHGM-UHFFFAOYSA-N 449.016 5.003 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(Cl)cc1 224676063 RCQDCPSHWVMYLA-UHFFFAOYSA-N 441.980 6.600 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 224917220 LPPQMWSLHHRNCF-JJWXFRNXSA-N 430.548 5.232 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225189139 XLEABDXPFKNQNY-QHCPKHFHSA-N 442.600 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225494330 MXGWPNLOFTWXEL-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779497 FCWAEMBRTWWHMU-UHFFFAOYSA-N 437.967 6.215 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccccc1Oc1ccccc1 225830039 FYILCFKXNBNEFI-UHFFFAOYSA-N 435.483 6.253 0 40 IKAB COc1cccc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4)[C@H]3C2)c1OCc1ccccn1 257331219 XRWGIZCYANSFOX-TZBSWOFLSA-N 442.559 5.010 0 40 IKAB COc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c(OC)c1 408587802 UQMKXIWYYTYHSV-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(C)cc2C)c1 408699287 SRNNCCNXGDGZBH-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 408779704 IHRVRKQUINPQQD-PZDOZLBDSA-N 445.371 6.415 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1 408806768 BFVYYYMFRZAAJN-KQWNVCNZSA-N 431.513 5.905 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)cc2)c1 409057784 HYTMRSAQTDJGAR-HMAPJEAMSA-N 435.932 6.468 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 409059456 RERVRDXCPZINFH-UNOMPAQXSA-N 445.924 5.454 0 40 IKAB CCCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC 409111428 AMLXHRHXUXQWKT-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O)C(C)C 409217536 PUSGMHVFCYTLKO-ODLFYWEKSA-N 446.956 5.282 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 409353283 IMLYMOKVZQTJOR-BKUYFWCQSA-N 432.501 5.238 0 40 IKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 649319 YGBJOZREWHNUBW-UHFFFAOYSA-N 444.004 5.220 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)c1 674648 CHEKCJMPFOPYNC-UHFFFAOYSA-N 436.577 5.196 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2)o1 687320 MDPUATGENLWQOY-UHFFFAOYSA-N 432.343 5.353 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1C 709127 PPFFPIMNXHXXHP-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 722618 NNHBYFVKSGJDGI-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccnc2)n1C1CCCCC1 1075868 LHSDACWXALDYHA-UHFFFAOYSA-N 441.988 5.538 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3nc2C1 1250261 MJGWHIYUSGYLMU-UHFFFAOYSA-N 441.556 6.012 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3cccc(C)c3)cc2c1 1366974 RJLHXLLKVGPVDP-UHFFFAOYSA-N 444.506 5.217 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(OC)c(OC)c4)cs3)c(=O)oc2c1 2202869 IUUCZCRJXPDQRO-UHFFFAOYSA-N 436.533 5.447 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CC(C)(C)SC2 2274752 AEBKCHKNHJYSGE-UHFFFAOYSA-N 447.622 5.780 0 40 IKAB Cc1ccccc1N1CCN(c2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)CC1 2390498 FFRJFZMKOKTPDF-UHFFFAOYSA-N 439.607 5.637 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(Cl)cc2Cl)OC1=O 2405665 UYYNHAOQNDBKMS-YVLHZVERSA-N 432.694 5.485 0 40 IKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 2754706 NGZQPIDJKGPPTM-HRQSHJORSA-N 438.593 5.739 0 40 IKAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1ccc(Cl)c(C(F)(F)F)c1 3440823 CCPRRXNPQRNKED-UHFFFAOYSA-N 425.859 5.427 0 40 IKAB Cc1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3-c3ccccc3)n2)cc1 3653068 JHWUVRXRNDHYLU-UHFFFAOYSA-N 445.573 5.570 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccccc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl 3764453 JQGSJXZVGMLYND-YBFXNURJSA-N 430.312 6.490 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 3865099 ZCJKFYHNWQJUCU-UTGKDZDOSA-N 430.529 5.220 0 40 IKAB COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)CCC(C(C)(C)C)CC2)cc1 4043052 MGMUYMDAHCEEQN-UHFFFAOYSA-N 433.600 5.831 0 40 IKAB O=C(CSc1nnc(COc2ccccc2)o1)N(C1CCCCC1)C1CCCCC1 6885421 XARZZQSCCJVYPV-UHFFFAOYSA-N 429.586 5.235 0 40 IKAB Clc1ccc(/C=C/c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c(Cl)c1 8781657 YSGYSZUEBUCGHO-JXMROGBWSA-N 448.180 7.869 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)cc1 8783288 MOYIKEZCKZCHQX-MHZLTWQESA-N 441.914 5.501 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3c(C)cc(C)cc3C)cs2)cc1 8852996 JTUOYVNGEKTHTR-UHFFFAOYSA-N 439.606 5.289 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1Cl 9200025 PBYNRYUHPAVOTM-UHFFFAOYSA-N 449.963 5.942 0 40 IKAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3C)c3ccccc23)cc1 9310968 SJAUBHKRRYYCIL-UHFFFAOYSA-N 441.538 6.996 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccccc3F)cc2)CC1 9470503 SISLGAANDNESLY-UHFFFAOYSA-N 435.568 5.122 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)c1 9641690 GUGQTRRKAWKTQL-QFIPXVFZSA-N 429.545 6.134 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)C(=O)N1CCCCCC1 9780376 XNOCDWNXBJQUFB-GFCCVEGCSA-N 430.521 5.184 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cc4ccccc4)cc3)n2)cc1OC 11617465 OQYPKRXHCUGGJZ-UHFFFAOYSA-N 430.529 5.670 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC 12193188 HHHQUJJJCOQYRW-YIXXDRMTSA-N 442.559 6.244 0 40 IKAB COc1ccccc1-c1nnc2sc(-c3cc(-c4ccccc4)nc4ccccc34)nn12 12389399 UUDUJCZSRLZREP-UHFFFAOYSA-N 435.512 5.744 0 40 IKAB C[C@@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 12531643 RLHWXMVLBQTVLW-OAQYLSRUSA-N 435.523 6.582 0 40 IKAB CCN(CC)C(=O)c1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 12554497 MKJFRKMDMMYJRV-CYBMUJFWSA-N 441.881 5.280 0 40 IKAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COC(=O)CC12CC3CC(CC(C3)C1)C2 12565838 ZANUPWGPFJWTNR-UHFFFAOYSA-N 447.597 5.136 0 40 IKAB O=C(COc1ccccc1Cc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2s1 12589181 UUMXQOSAGVOHIP-JOCHJYFZSA-N 428.557 5.630 0 40 IKAB CCOc1ccccc1C1=N/C(=C\c2ccc(OC)c(OCc3ccccc3)c2)C(=O)O1 12619478 SOQKHABFZKZASS-QNGOZBTKSA-N 429.472 5.017 0 40 IKAB CCN(C(=O)COc1ncnc2scc(-c3ccccc3)c12)c1cccc2ccccc12 12653884 MLNSIXDJZPDMMC-UHFFFAOYSA-N 439.540 5.943 0 40 IKAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)C[C@@H](C)O1 12782185 QGDZFORVMHQMKU-OKILXGFUSA-N 428.941 5.056 0 40 IKAB CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878292 IDUSDWUYIJEBAN-UHFFFAOYSA-N 443.041 5.545 0 40 IKAB CCN(CC)[C@@H](CNc1ncnc2scc(-c3ccc(OC)cc3)c12)c1ccccc1 13095830 IPGNWOWBUMYPLA-QFIPXVFZSA-N 432.593 5.862 0 40 IKAB Fc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@@H]2CCCO2)cc1 13120821 IGNCSWWWBXTLIR-FQEVSTJZSA-N 436.512 5.211 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Oc2ccccc2)cc1 13302553 CHKPWYKJLVVMNN-KGENOOAVSA-N 436.920 6.238 0 40 IKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(Cc1ccccc1Cl)C3 13570451 WIGSNSMOXMGRKL-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB biogenic CCc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)s1 13956964 ROIHHSWZYVDXQQ-UHFFFAOYSA-N 439.338 5.331 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1cccc2ccccc12 14132051 UKAPDIWJURLUIB-OEAKJJBVSA-N 445.927 6.990 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)cc1 14609524 PFQOHHBSPWIVIL-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 14704443 GCKVRJBVOSOVEN-ROUUACIJSA-N 436.508 6.108 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)c(Cl)c1 16492162 PZXOUCBKXVEXIZ-UHFFFAOYSA-N 440.351 7.290 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 16681526 MSPNOBFUUNZZPX-UHFFFAOYSA-N 434.392 5.602 0 40 IKAB CCOc1cc(CNC2CCCCCC2)cc(Br)c1OCc1ccccc1 16688605 KBMCIXSXBYXPEL-UHFFFAOYSA-N 432.402 6.239 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2CC)cc1 16845132 GNTDGLGIDYYLRD-UHFFFAOYSA-N 449.601 5.438 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 17823148 SEPGHCCRPAHPBO-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB CN(C)[C@@H](c1ccc(Cl)cc1Cl)c1nnnn1C(c1ccccc1)c1ccccc1 19229048 DCPRWSAKVKOXIU-QFIPXVFZSA-N 438.362 5.269 0 40 IKAB COc1ccc(-c2nn(-c3ccc(C)cc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 19641065 YANYLCFDZZIKOG-UHFFFAOYSA-N 444.531 5.858 0 40 IKAB O=C(NCCc1cn(C(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccc(Cl)cc1 19691826 AUYGIBXOBLEBDE-UHFFFAOYSA-N 437.326 5.609 0 40 IKAB COc1ccc(C(=O)[C@@H](OC(=O)CCC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 20095142 BOBUFMALGXBEHO-MHZLTWQESA-N 445.515 5.198 0 40 IKAB COc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1-c1ccc(CO)o1 20140415 LKCTWPLOFPOJPH-UHFFFAOYSA-N 441.842 5.752 0 40 IKAB COc1ccc(C)cc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20357197 WMZIUEMMCLOTJO-OAQYLSRUSA-N 448.910 5.618 0 40 IKAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(Br)c1 20489720 CYLISUDDOOFXBY-XMMPIXPASA-N 438.365 5.605 0 40 IKAB O=C(O)[C@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 20728947 VQTGHYUXEWYYMK-VWLOTQADSA-N 445.950 5.436 0 40 IKAB Cc1ccc(-c2noc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)n2)cc1 22255417 RDZDTPRGMSNFNT-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB O=C(CCN1CCN(Cc2csc3ccccc23)CC1)Nc1c(Cl)cccc1Cl 22916962 ZPVWASBAQLXZMI-UHFFFAOYSA-N 448.419 5.355 0 40 IKAB CCCn1c(SCC(=O)Nc2c(F)cccc2F)nc2ccc(C(F)(F)F)cc21 23582635 FJULBIFTTSVAES-UHFFFAOYSA-N 429.414 5.474 0 40 IKAB Cc1nn(Cc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)o2)c(C)c1Br 27980576 GBVMKQIOVSUTNQ-UHFFFAOYSA-N 442.235 5.175 0 40 IKAB Cc1ccc2oc(C(=O)N(Cc3cccc4ccccc34)C[C@H]3CCCO3)cc(=O)c2c1 27990826 ICZKFEQXACNQTD-OAQYLSRUSA-N 427.500 5.076 0 40 IKAB CC(C)c1ccc([C@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)c2cccs2)cc1 32779040 BZHOCPJNIKSOII-QHCPKHFHSA-N 441.980 5.840 0 40 IKAB Cc1cccn2c(=O)cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc12 33067857 TTXGAEHJJHVREA-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)n2C)c1 33528963 WICNNYNQUKRVMC-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)c(C)c1 33616645 NIEDKNSPHDYUDA-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Fc1ccccc1Cn1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc21 33719538 VXWWQRHEPRWREE-UHFFFAOYSA-N 443.525 7.553 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cccc(Br)c2)cc1)c1cccc(Cl)c1 35264146 FTPOLLNOCNVMMB-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB O[C@]1(C(F)(F)F)[C@@H]2C[C@H](c3ccccc3)CCC2=NN1c1nc(-c2ccccc2)cs1 35999483 YEJCZMYYHNDOTN-HMFYCAOWSA-N 443.494 5.821 0 40 IKAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 36057959 LQVVRETYJPAIQE-JSNMRZPZSA-N 444.457 5.043 0 40 IKAB CCCCCCn1c(SCC(=O)c2ccccc2F)nnc1-c1c[nH]c2ccccc12 38188293 VSJSGBLSXCNTIA-UHFFFAOYSA-N 436.556 6.121 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccc(Cl)cc1 44839208 IMIDEOHCLWNYEQ-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c1 44916146 UOLLWLUQKUSJSY-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB Cc1ccc(C)n1C1CCN(C(=O)c2csc(COc3ccc(Cl)cc3)n2)CC1 65475613 DHKHMPDUBMIRBL-UHFFFAOYSA-N 429.973 5.271 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215799 SZAKWBIGWLEBHA-HXUWFJFHSA-N 439.556 6.227 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 72356316 XOZGHSZUVXYRFM-QHCPKHFHSA-N 446.978 5.348 0 40 IKAB Ic1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cn1 79106207 JDQZBULOBGAALG-UHFFFAOYSA-N 431.258 5.150 0 40 IKAB COCCn1c(C(=O)NCc2ccc(F)c(F)c2)cc2c1c1ccccc1n2C(C)C 96037303 DQGKYODCNCNCFF-UHFFFAOYSA-N 425.479 5.032 0 40 IKAB COc1ccc(-c2c(C)nn3c(O)c(Cc4ccc(Br)cc4)c(C)nc23)cc1 102733935 GNDFKIIYZUYVDX-UHFFFAOYSA-N 438.325 5.081 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1 106684762 PLKOYKVSBSCZEC-XYGWBWBKSA-N 438.552 6.235 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(C)c(C)c2)cc1 107941185 LNUSFDGZIGSDBI-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 118925653 UOYOJYKLYHOIHZ-WLSCSYPLSA-N 442.684 7.139 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-n3c(-c4ccc(Cl)cc4)nc(C)c3C)cc2)cc1 199430789 FZMMDAFRJGYGOV-UHFFFAOYSA-N 431.923 6.070 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 222713875 UCMDXYYSHYYMSJ-SZFUDVHCSA-N 444.387 6.628 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 223242495 QZCGGZLJGMGZMY-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223902882 KCMQNFWEVAVIAL-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 223995086 HBYOCVPGSVDQRP-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)c1 224246154 XKAWXCJZRFWATK-PKTZIBPZSA-N 445.979 5.406 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224574626 WCQIIXVAWBOHMD-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cc(C)cc(C)c1C 224609526 ZZOSSMAQIOXXDZ-UHFFFAOYSA-N 437.967 6.804 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(C)c(C)c1 224621236 TUIJBWMMJCVDCL-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224733178 WLSLXJLGUQRUGJ-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225333631 QJQSYSCKKXILIW-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225459697 CYTMOOVHPPITFI-AVRDEDQJSA-N 447.044 5.295 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225602114 FNZPEBWNFGEYLO-UHFFFAOYSA-N 441.666 5.231 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 225612204 TVVCRXKIXJXPMQ-PGRDOPGGSA-N 445.003 5.058 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC(Cc2ccccc2)CC1 225804874 MTDICCIAXBUASH-UHFFFAOYSA-N 443.469 5.169 0 40 IKAB Cc1cc(C)nc(Nc2ccc(C(=O)N3c4ccc(Br)cc4C[C@@H]3C)cc2)n1 225912563 BCTNQGGMCGWVPO-HNNXBMFYSA-N 437.341 5.191 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 257349038 LALAQRGFSWBMHR-KXBIWMEMSA-N 442.728 8.350 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 408553495 AGQBPCIOEOIDOG-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 408568412 TZMSVNFWUXUACO-MHWRWJLKSA-N 430.500 5.590 0 40 IKAB CCn1c(S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408632361 DXIJMFUMIYEGPG-UNOMPAQXSA-N 438.940 5.626 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 408647007 QZJRYLMZELPUAX-SECBINFHSA-N 437.106 5.249 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)c(C)c1 408694632 LBLNAGFDVQVTGG-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2cccc3ccccc23)c1 408726033 RNIQSVHLBLRMHS-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB O=C1/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)NC(=S)N1C1CCCCC1 409090203 LCCLNUFPBXCHMK-UQQQWYQISA-N 442.584 5.809 0 40 IKAB Fc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)cc1 409098925 MTOAZUFZKGCYJR-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1 409189354 JWOSUZCYKDPSEZ-GZTJUZNOSA-N 448.352 6.979 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 409227586 QHFROPGIAJODCX-KGENOOAVSA-N 437.973 6.728 0 40 IKAB COC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1C 409267101 SKULSQALUXDAOA-UHFFFAOYSA-N 425.937 5.980 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1Cl 892493 TUVCPZKJMRZBOQ-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCc1cc(=O)[nH]c2ccccc12 916165 IEXYITSXAFFROH-UHFFFAOYSA-N 442.544 5.164 0 40 IKAB Cc1cc(Oc2coc3cc(OCC(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl 950740 JQWGMNCQXZPRSP-UHFFFAOYSA-N 430.884 5.434 0 40 IKAB O=C(CSc1nnc2scc(-c3ccccc3)n12)c1ccc(Oc2ccccc2)cc1 1105098 GVGNGWPFAOALET-UHFFFAOYSA-N 443.553 6.225 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)cc12 1371655 IPLIHLDWCQNZKR-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CN(NC(=S)Nc1ccccc1)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 1393385 VWLWZPGIMTWWSV-UHFFFAOYSA-N 445.392 5.005 0 40 IKAB CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 2103174 FEZSASLVQYQVCM-BDYUSTAISA-N 449.554 5.770 0 40 IKAB biogenic CCOc1ccccc1-c1nc(C(=O)NCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 2119614 WYIPKPUFRMMDHH-UHFFFAOYSA-N 439.490 5.851 0 40 IKAB biogenic Cc1cccc(-n2c(SCc3cccc(Cl)c3)nc3sc(C)c(C)c3c2=O)c1 2143328 BKUNEEVXWTWBCL-UHFFFAOYSA-N 426.994 6.318 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2cccc(C)c2)cc1 2453541 JVSWQVZRZRLOLZ-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)c2ccc(Br)o2)cc1 2718637 VCLDMHIMPVIYST-UHFFFAOYSA-N 449.370 5.981 0 40 IKAB COC(=O)c1ccccc1Oc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104487 QCVWNLSZWXZVRQ-UHFFFAOYSA-N 428.513 6.015 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1cccc(C(F)(F)F)c1 3116775 UDOSTAWETWSYHY-UHFFFAOYSA-N 439.842 5.444 0 40 IKAB Cc1ccc(NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c(C)c1 3244845 BPPYCBLQXBSXGU-UHFFFAOYSA-N 432.545 5.478 0 40 IKAB CC(=O)Nc1ccc([C@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 3770979 CVCONDHAAFKXHA-HHHXNRCGSA-N 432.479 6.087 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2nc3c(C)cccc3cc2C)sc(C)c1C 6089452 AIMRBDQTMSSMPI-UHFFFAOYSA-N 428.579 5.437 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 8444417 QGXLRPBMOJPXQK-DGCLKSJQSA-N 432.899 5.321 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1C 8752839 KIFHXFKJPDMRJC-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c(C)c1 8810459 PTSBRGJBOFKZDH-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1ccccc1Cc1ccccc1 8982637 IECRZIGEMRXMKZ-UHFFFAOYSA-N 438.321 5.260 0 40 IKAB Cc1ccc(-c2csc(Cc3nc(-c4c[nH]c(C(=O)N5CCCC5)c4)cs3)n2)cc1 9112355 ILEIVRQTORSYGG-UHFFFAOYSA-N 434.590 5.397 0 40 IKAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@@H](c1ccc(F)cc1)c1cccs1 9254791 FFAHMASVTVOLPZ-QFIPXVFZSA-N 429.538 5.046 0 40 IKAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)C[C@H](c2cccs2)C4)cc1OC 9290226 FZQIOQXUEAHZCW-MRXNPFEDSA-N 447.560 5.511 0 40 IKAB Clc1ccc(C2=Nn3c(nnc3-c3cc(-c4ccccc4)[nH]n3)SC2)cc1Cl 9360650 CCKWMWIBTCPOKM-UHFFFAOYSA-N 427.320 5.000 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccccc1Br 9413614 ZQOBUFNMNZOEMB-UHFFFAOYSA-N 435.277 5.700 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NC1CCCCCC1 9508160 JVQWGMDYXJPWRV-UHFFFAOYSA-N 444.988 5.171 0 40 IKAB CSCC[C@@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2s1 9579212 WHKGONDWGCPSDO-GOSISDBHSA-N 439.631 5.573 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 9585882 JPHMJDLTACGJLW-UHFFFAOYSA-N 429.954 5.952 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)n2C(C)C)cc1 9664071 GOHBFVRMVPJSBI-UHFFFAOYSA-N 435.549 5.550 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)c1C 9671062 VPNUIHFXNYUEMS-UHFFFAOYSA-N 448.523 5.196 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(F)c1)N(c1nccs1)C3=O 10233034 VNHGBYVJEMNGRX-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2ccc(C(F)(F)F)cn2)c2ccccc2)c1 11266006 FFMFEASFSNTAFF-HXUWFJFHSA-N 430.451 5.775 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NC(=O)NC3CCCCC3)nc2c1 12541499 QUOYXHWSLKPVAP-UHFFFAOYSA-N 449.576 5.161 0 40 IKAB c1ccc(Cn2cc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)c3ccccc32)cc1 12547452 OUQAXSRGKNNKCD-GDLZYMKVSA-N 426.523 6.679 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CSc2ncn[nH]2)cc1 12568934 RIENEPVSLIXINS-OAQYLSRUSA-N 434.952 5.270 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1Br 12630214 FVCCWCPEZRFNRF-UHFFFAOYSA-N 441.375 6.553 0 40 IKAB Cc1nc(-c2ccco2)nc2sc(C(=O)Nc3cc4c(cc3Cl)OCCO4)c(C)c12 12787365 ONZVDFKAEYLCFP-UHFFFAOYSA-N 441.896 5.245 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1C 12812751 OVZOPDWWMFAEDE-INIZCTEOSA-N 431.561 5.718 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 12847138 IIAIGXQNFMCHGE-RBUKOAKNSA-N 448.876 6.066 0 40 IKAB Nc1c(C(=O)c2ccc3c(c2)OCO3)sc2nc(-c3ccco3)cc(C(F)(F)F)c12 12958551 FXTBTLCJZYWPIM-UHFFFAOYSA-N 432.379 5.117 0 40 IKAB Cc1ccc2nc(CSc3nnc(SCc4ccc(Cl)cc4)s3)cc(=O)n2c1 13145778 OCESQGHRYIVAHE-UHFFFAOYSA-N 447.010 5.092 0 40 IKAB O=c1c2ccccc2nc(SCCCc2ccccc2)n1OCCCc1ccccc1 13513989 PFLJDXZJWNSEOR-UHFFFAOYSA-N 430.573 5.183 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(NC(=O)c2cccs2)cc1 15641604 AOEUEZLPHRKZRN-UHFFFAOYSA-N 436.924 5.151 0 40 IKAB CCOc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(OC)cc4)c23)CC1 15940881 ULTXJTNKVGFZMJ-UHFFFAOYSA-N 446.576 5.092 0 40 IKAB Cc1ccc(NC(=O)OCc2ccc(F)cc2)cc1NC(=O)OCc1ccc(F)cc1 16347539 FZDHJXWPOYCTBP-UHFFFAOYSA-N 426.419 5.771 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cc(Br)ccc1O 16451265 GVNISHHSSGFNKF-HXUWFJFHSA-N 445.696 5.589 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c1Cl 17095496 DJILULWEAUDLEX-UHFFFAOYSA-N 427.542 6.588 0 40 IKAB CCCCn1c(S)nnc1-c1cc(C2CC2)nc2c1c(C1CC1)nn2-c1ccccc1 17097183 KGBWSKJPOGEJNS-UHFFFAOYSA-N 430.581 5.523 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 17097218 QOOVUMVDSNLHLW-UHFFFAOYSA-N 430.879 5.520 0 40 IKAB Cc1ccc2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 17098534 AMVOVQLQQJFJLR-UHFFFAOYSA-N 433.558 5.311 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c1 17099330 BWUWVQMWFZQDEM-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1ccc(C)c(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 18117888 KAINNWSBPQWLDT-KGENOOAVSA-N 436.433 5.962 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1 19643742 FRKNGMQOJWEFTH-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(CC(c1ccccc1)c1ccccc1)CO3 20412567 OQARARVJYKUWDL-UHFFFAOYSA-N 445.946 6.047 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2)c1 20488078 LFPFGQZZKKSWNW-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 20494310 TYMSDNNKSOXJJF-UHFFFAOYSA-N 435.589 5.941 0 40 IKAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 20523388 JWWCGHMZEJBXGM-UHFFFAOYSA-N 435.933 5.089 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1 21124281 QHYRPWXARDEHIW-UHFFFAOYSA-N 442.003 5.410 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 23127019 GLUZAJKTNZYRHN-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CC(C)(C)CC(C)(C)c1ccc(OC[C@@H](O)CN2CCN(c3ccccc3F)CC2)cc1 26780378 XRXNVLYFDWQKBV-QFIPXVFZSA-N 442.619 5.101 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O 27792456 GTSWDXPIBAMHDE-HXUWFJFHSA-N 433.596 5.529 0 40 IKAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 32610126 BVNIFSBCPFMGLN-UHFFFAOYSA-N 447.941 6.111 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2)cc1OCc1ccccc1 33573856 YNIVVIGHKJQLSN-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB S=C1N2N=C(c3ccccc3)SC2=N[C@H](c2ccc(Cl)cc2)N1c1ccccc1 35077520 NLKHQEJWHQVHTJ-IBGZPJMESA-N 434.977 5.910 0 40 IKAB Cc1nnc(SCc2c(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)oc3ccccc23)s1 58245170 XQEGBCUDCYPUMG-HOTGVXAUSA-N 427.595 5.537 0 40 IKAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 59056658 FTSBXZGBCILQPO-DHZHZOJOSA-N 440.322 5.674 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1 59294250 UNVJFLBRXWPWKR-UHFFFAOYSA-N 444.575 6.341 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 67295928 IKYLZJLDLPILGE-XHPQRKPJSA-N 445.422 5.401 0 40 IKAB Cc1cccc(-c2noc(CN3CCC4(CC3)C[C@H]4c3nnc(-c4cccc(F)c4)o3)n2)c1 71890591 OQBLNLIECCWNLO-FQEVSTJZSA-N 445.498 5.004 0 40 IKAB CC(=O)Nc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 101500595 LVUAMUMQPLNJMS-SBUREZEXSA-N 429.476 5.255 0 40 IKAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1 107749790 AYPJTOQTEAGKBO-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)C=C[C@@H]32)C1 118936187 ASDNAJPPNCFFSI-LEKDBJHXSA-N 442.728 8.061 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1c(OCc2ccccc2)ccc2ccccc12 207492564 SZGRTLXPYAWDEM-LFVJCYFKSA-N 439.898 6.417 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 222706101 JRSPQRWYQMMQSH-ZLGUVYLKSA-N 442.510 5.871 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12 222726643 JXGFXYUYOKQTOY-INIZCTEOSA-N 443.374 5.243 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222938877 YCAKVPMTEKXWSG-VXKWHMMOSA-N 425.569 5.569 0 40 IKAB Cc1ccccc1CN(C(=O)CCSCc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223782748 FQWYVCWJFSAXBG-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224232349 ZBDXELLJNKOOSP-JWQCQUIFSA-N 430.621 6.101 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccc(C)c(C)c1 224289575 OEWJBDHGEXQUCP-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 224557486 SWVVRAZDGCHDBL-UHFFFAOYSA-N 430.548 5.073 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 224841934 GYICETLHRKQQDA-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225187456 QMCSHWGBMMLCCS-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225346493 DMVOPCGMBZCNMJ-ROUUACIJSA-N 449.422 5.485 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 225673013 GPHWANZASOEFDH-LJQANCHMSA-N 429.004 5.025 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1O[C@@H](C)CC 225758700 JKHWHPCJHYWZQB-FQEVSTJZSA-N 437.580 6.190 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)c(C)c1 225768587 YMSSJSUIVWZRIP-OAQYLSRUSA-N 443.385 6.281 0 40 IKAB S=C(Nc1cccc(Br)c1)NC1(CCc2ccccc2Cl)CCCC1 225845960 LXKPTWGQEYFWHR-UHFFFAOYSA-N 437.834 6.335 0 40 IKAB Clc1cccc(NCc2ccc(-c3ccc(Br)cc3)o2)c1N1CCOCC1 226240333 CAZUVVCCIYEZKK-UHFFFAOYSA-N 447.760 5.811 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5ncccc5c4)C3)CCOCC2)cc1 257264065 LSTDTPVAAWFBRO-QHCPKHFHSA-N 428.576 5.073 0 40 IKAB CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)ncc(-c3ccc(O)cc3)c2O)CC[C@H]1C 257651043 YDGOHTBOOYAVOP-RXGASFOTSA-N 439.596 6.740 0 40 IKAB biogenic,in-vitro O=C1CS[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccc(Cl)cc1 408556634 KWBPIIRWLOMCDU-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408639972 GVIZWXAQHBZSOM-GOSISDBHSA-N 434.923 5.686 0 40 IKAB O=C(O)c1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 408751055 VVCJSKIGKQQQFR-UHFFFAOYSA-N 446.509 5.087 0 40 IKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1 408920993 AMZDMPFHEPBGGZ-NHFJDJAPSA-N 437.970 7.110 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1C 409083508 BEJCHCJRASSEMK-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409120326 VLIIIEWMYWSHJT-UHFFFAOYSA-N 445.968 5.654 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c(C)c1 409158570 UAYRJDRASCBKIO-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB O=C(O)c1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 409195024 QUJQIGQPQQKANG-UHFFFAOYSA-N 440.318 6.003 0 40 IKAB COc1cccc(-c2ccc3c(c2)CN(C(C)C)CCCCCCCN3C(C)=O)c1F 643578728 OJRHBETVVLDFAN-UHFFFAOYSA-N 426.576 6.029 0 40 IKAB Cc1ccc(C)c([C@]2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)c1 2113469531 NNKKFSRWKQTAOM-MHZLTWQESA-N 441.368 7.135 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)Cc2ccccc2Cl)cc1Cl 643415 OEBLJYQVVFHYSQ-UHFFFAOYSA-N 449.359 5.496 0 40 IKAB CCSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccccc4)n12)CCCC3 1251702 OLFHLMWLKODORF-UHFFFAOYSA-N 440.619 5.305 0 40 IKAB C[C@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381831 XXGRNUUWSFHCNV-HNNXBMFYSA-N 425.315 5.576 0 40 IKAB CCOc1ccc(NC(=S)Oc2cccc(C(=O)Nc3ccccc3Cl)c2)cc1 1437747 QXGFTVAVSBXNBZ-UHFFFAOYSA-N 426.925 5.767 0 40 IKAB COc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1Cl 1847783 TZGMCWDEPFCRMN-UHFFFAOYSA-N 425.755 6.305 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 1862232 SQYPNYCVWWZBGO-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB COc1ccccc1N1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 1895201 RRWOJHQTYZCPIQ-UHFFFAOYSA-N 436.968 5.347 0 40 IKAB CCOc1cc(C(=O)Oc2c(C)cc(Br)cc2C)cc(OCC)c1OCC 1903598 WYZMBLQHNZHGNA-UHFFFAOYSA-N 437.330 5.481 0 40 IKAB CCc1c(C)sc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1C(=O)OC 2082055 QYNDJZUTFJASSA-HXUWFJFHSA-N 425.575 5.878 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2090044 XVVJBPPGERDDDW-INIZCTEOSA-N 430.910 6.676 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 2736255 GUMOSXIEFGYNCN-LLVKDONJSA-N 440.392 6.245 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 3325426 GVRZMGGEOVCFQH-UHFFFAOYSA-N 442.540 5.742 0 40 IKAB COc1ccc(CCSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3434258 JNLBARNYQFZEBU-QHCPKHFHSA-N 445.544 5.123 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc(C)c1Cl 3655491 BRHSCKHSBURASX-QGZVFWFLSA-N 447.918 6.340 0 40 IKAB CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Br)cc1 4767997 XGKWZFUPQYYRKA-HXUWFJFHSA-N 440.341 5.431 0 40 IKAB COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1[C@@H]3C 5836342 JDSKXNOKMRKBKV-INIZCTEOSA-N 427.500 5.208 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl 8427194 RLPNYOQXRRHRGH-FQEVSTJZSA-N 431.750 7.011 0 40 IKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 8752452 KXTLPTYOKACYIZ-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)nc12 8832036 HFBNREYIBBYPLB-PKNBQFBNSA-N 443.355 7.132 0 40 IKAB Cc1sc(-c2cc3cc(Br)ccc3oc2=O)nc1-c1ccc(Cl)cc1 8926579 ZSSUTXINAXVUOL-UHFFFAOYSA-N 432.726 6.308 0 40 IKAB Cc1ncc(CO)c2c1Oc1nc(-c3cccc(F)c3)nc(SCc3ccccc3)c1C2 9116393 NPMAMHOZWHSCCE-UHFFFAOYSA-N 445.519 5.467 0 40 IKAB Cc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 9129735 IGLAXMPPOQFMPU-GMAHTHKFSA-N 443.761 7.198 0 40 IKAB CSc1nc(N2CCC(C)CC2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 9193101 GNVCITJMQPWEBO-UHFFFAOYSA-N 446.645 6.353 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1Cl 9194807 MEFJBHBXKUTISC-UHFFFAOYSA-N 438.936 6.276 0 40 IKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)C1c2ccccc2Oc2ccccc21 9252148 BXUULBURIUIVJR-UHFFFAOYSA-N 435.508 6.235 0 40 IKAB C[C@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 9255904 GJJNBLQNERHVDB-JTQLQIEISA-N 438.734 5.272 0 40 IKAB Cc1ccc(C)c(CSc2cn(Cc3ccc(Br)cc3)c3ccccc23)c1 9391704 FNGWVDQGMGROQA-UHFFFAOYSA-N 436.418 7.361 0 40 IKAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 9446423 UEUYOFXRFJVEFQ-RDPSFJRHSA-N 427.548 5.475 0 40 IKAB C[C@@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc12)C(=O)N1CCCC1 9548560 HTYWGRAZKOPEDB-GFCCVEGCSA-N 448.411 5.224 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 9592469 CCJMILFKAVXYNU-WTDSWWLTSA-N 448.737 5.901 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1CC(F)(F)F 9872667 ROMSRKRRTVGBAB-UHFFFAOYSA-N 434.487 5.100 0 40 IKAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccc(-c2nc3ccccc3s2)cc1 9912062 ILUOFAIELQWRSD-UHFFFAOYSA-N 436.558 5.156 0 40 IKAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnc3ccccc32)cc1 10427471 BAFKBOBEXACZNU-OAQYLSRUSA-N 448.935 5.121 0 40 IKAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Br)cc2)cc1 11024015 OWZXVJOEYXUEFJ-OAQYLSRUSA-N 440.341 5.286 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 12196596 VLHRXUDAKOMLIY-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)NCc1cn2cc(Cl)ccc2n1 12507711 PMIUJPBETQVADT-UHFFFAOYSA-N 449.725 5.199 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccccc2C(F)(F)F)N1 12523852 KAARZALRQAOJMZ-NRFANRHFSA-N 434.421 5.504 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561647 CZEAKZLYHQPZDX-YIXXDRMTSA-N 426.516 5.824 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12584239 LLVPVQLACZHCGI-UHFFFAOYSA-N 444.560 5.075 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3cccc(Cl)c3)cc12 12644567 FZDRBULYNBTXCT-UHFFFAOYSA-N 448.925 5.780 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 12850857 RQFQCESTUKGTTQ-DOMZBBRYSA-N 442.850 5.216 0 40 IKAB O=C1COc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)cc2N1 12895184 PYUGIDFPHULEKS-UHFFFAOYSA-N 429.863 5.138 0 40 IKAB COCc1c(C(=O)Nc2nc(-c3ccc(OC)cc3)c(C)s2)sc2cccc(F)c12 13114341 IKOYMGAKLYXGRJ-UHFFFAOYSA-N 442.537 5.880 0 40 IKAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc12 13134483 PCTNCTYNURPRRR-UHFFFAOYSA-N 448.548 5.969 0 40 IKAB CCCn1c(S[C@@H](C)C(=O)c2ccc(C)cc2)nc2ccc(Br)cc2c1=O 13137876 LRXGZPAIOAUZDJ-AWEZNQCLSA-N 445.382 5.241 0 40 IKAB CCc1ccccc1NC(=O)N(Cc1cc2cc(C)ccc2n2nnnc12)C1CCCCC1 13568282 XICNOQQSZRPFSF-UHFFFAOYSA-N 442.567 5.515 0 40 IKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cccc(OCc2ccccc2)c1 13684603 HMKKZHQWUMORLN-UHFFFAOYSA-N 428.532 5.580 0 40 IKAB CCc1cccc(OCC(=O)Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)c1 14018515 VHCDVWQPOHUHBS-UHFFFAOYSA-N 447.516 5.235 0 40 IKAB O=C(CN1CCC[C@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 14129749 RQWRIEHNSGOXPR-FQEVSTJZSA-N 437.634 5.454 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 14137173 ZSXNFSDZXNSZNC-UHFFFAOYSA-N 447.269 5.528 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccc(C2SCCS2)cc1 15787726 ZSPBPCAHUMFPEM-FQEVSTJZSA-N 433.042 5.386 0 40 IKAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OCc1ccccc1 15947669 SUSJHEJVLLRLIP-IQMFZBJNSA-N 434.561 5.889 0 40 IKAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 16195809 VGTHBOHCSMOTSO-NRFANRHFSA-N 432.347 5.404 0 40 IKAB Cc1c(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)oc2ccccc12 16266663 TUOCQVFADJBOFW-UHFFFAOYSA-N 437.282 7.109 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N(CCO)Cc4ccccc4)ncnc32)c1 16768314 SSGRGICMFHYVEG-UHFFFAOYSA-N 434.543 5.395 0 40 IKAB Cc1cccc(NC(=O)c2c(N)n(C(=O)c3ccc(Br)cc3)c3ccccc23)c1 16807290 JLUXGQYRDVVGOT-UHFFFAOYSA-N 448.320 5.235 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc(OCc2ccccc2)c1 17098848 BAKKNYVZKQOTDO-UHFFFAOYSA-N 434.495 6.004 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cnc(Nc2nc(-c3ccccc3)cs2)nc1C 19819578 FLNPRAWJFKKZHX-UHFFFAOYSA-N 431.521 5.221 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 20458975 CPXNBULMQSOOMB-UHFFFAOYSA-N 431.923 5.343 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)c1 21897689 LTKJAIZSTLDJGY-GOSISDBHSA-N 436.552 5.367 0 40 IKAB Fc1ccc(COc2ccc(Cl)cc2CNn2c(-c3ccncc3)n[nH]c2=S)cc1 22111086 BYZOAKMEQLCTDE-UHFFFAOYSA-N 441.919 5.118 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)c1 28290486 VHDAKSPULLAPNX-UHFFFAOYSA-N 430.932 6.212 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264339 KQFZLGZKOHZOBJ-UHFFFAOYSA-N 430.891 5.763 0 40 IKAB S=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 35883177 RJSBLMGVGPVIET-OBNJBMLMSA-N 436.452 5.585 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1 39373538 JOBAYBRAHVTSSW-NTUCOQBPSA-N 442.728 8.206 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc(F)cc1Cl 40050328 BFHZEIXHJNPKCF-UHFFFAOYSA-N 436.914 5.199 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(Cl)cc2)cc1 44087570 FOSMFDQTLSAXPJ-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cc(Cl)c(Cl)cc1Cl 44947546 BAWHEVHTFKZEEK-UHFFFAOYSA-N 429.583 6.826 0 40 IKAB O=C1CSC2=N[C@@H]3/C(=C\c4ccc(Cl)cc4)CCC[C@@H]3[C@@H](c3ccc(Cl)cc3)N12 51329851 MLJGGZQKISBLGP-XRDOFBCLSA-N 443.399 6.232 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 57317332 HGCWLHMPRSLNKB-LBPRGKRZSA-N 444.856 5.036 0 40 IKAB CCc1cc(=O)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(-c2cccc(Cl)c2)n1 57527851 JXMBNUUQGFIWJZ-UHFFFAOYSA-N 436.726 5.072 0 40 IKAB Cc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccc(C(C)C)cc2)nc1 67295167 JLTRPVKTEJBBIO-FVDSYPCUSA-N 431.923 6.398 0 40 IKAB COc1cc(NC2=NC(=O)S/C2=C\c2cccc(Oc3ncccn3)c2)cc(OC)c1 72401765 BSBJLWZGJUTMQC-GRSHGNNSSA-N 434.477 5.004 0 40 IKAB COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(-c2ccc(NC(=O)Nc3ccccc3)cc2)cc1 95938187 NDIRKROHIMEFOI-DNQXCXABSA-N 442.515 5.770 0 40 IKAB CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@H]4C)cc32)n1 96156369 NFTGJEHPZSQUQW-HYBUGGRVSA-N 443.595 5.026 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc(C(F)(F)F)nc1 96358322 LFMNGCVXXXJTHK-UHFFFAOYSA-N 430.411 5.055 0 40 IKAB CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)cs1 100219449 OPUJQTMIDKBEOL-MAEOIBBWSA-N 446.576 5.613 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1Br 106691818 LZCMHYRGARESKF-YVLHZVERSA-N 436.302 5.223 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214938390 VRYOOHMSOSIYHM-VCHYOVAHSA-N 427.323 5.475 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1 216249975 APPHQDNTRURYPC-RCZVLFRGSA-N 434.561 5.243 0 40 IKAB CCOC(=O)c1ccc(NC(=O)COc2ccc3ccccc3c2Br)c(C)c1 218906155 XETWQRSDNQFVIA-UHFFFAOYSA-N 442.309 5.105 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 218928924 MZNVEILDZIIADZ-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 222651903 CQFXPFNOQGFEGK-RUZDIDTESA-N 434.555 5.244 0 40 IKAB C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 222655730 IODWRVPHXLOAMF-INIZCTEOSA-N 439.964 5.895 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 223078560 YZPLQJYHLZDNJN-QGZVFWFLSA-N 448.950 5.433 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223135110 IQWKWKHHABBRAI-VQTJNVASSA-N 434.555 5.244 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccc(C)cc2)cc1 223377287 VZBUMEZWZMTFCU-UHFFFAOYSA-N 448.588 5.341 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223743359 RQVQZAMLOZMSSR-HHHXNRCGSA-N 444.619 5.805 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223809615 KMKQLJKCSYCHEU-JOCHJYFZSA-N 430.589 5.032 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 223976219 YMOGPZSUUJAPEZ-INIZCTEOSA-N 427.932 5.248 0 40 IKAB Cc1cc(C(=O)NC2CCCCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224008151 LYDBXHAASFPDTD-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224276397 LNQWSKUYPMKAKD-MHZLTWQESA-N 448.651 5.917 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccc(Cl)cc1 224501810 OOXDSYRWNPBXQS-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 224518077 BYFCGOAHBBWWRY-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB Fc1ccc(COc2ccc(CNC(=S)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 225534375 CPQDTENKMYBFPV-UHFFFAOYSA-N 434.458 5.910 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCCCC2)cc(C)c1OCc1ccccc1 225546725 UFPQVFWGPQAZKL-UHFFFAOYSA-N 431.551 6.862 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NCc1cccc(C(F)(F)F)c1 225601401 MQIOIWNSUXYOGQ-UHFFFAOYSA-N 438.243 5.316 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 245377551 MNDJWAKEJGFTBX-KXTAGPOFSA-N 427.931 5.891 0 40 IKAB CC(C)(Oc1ccc(CCNC(=O)OCC2c3ccccc3-c3ccccc32)cc1)C(=O)O 256630225 GUNTZELRMUVRBA-UHFFFAOYSA-N 445.515 5.010 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)cc12 257226838 FMKDTODHRHWZOX-RUZDIDTESA-N 429.951 6.093 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257231238 GFXBJDBAIAEPRI-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB CCc1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)cs1 257281558 OPUJQTMIDKBEOL-SAABIXHNSA-N 446.576 5.613 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@@H](Cc2ccc3ccncc3c2)CC1 257302076 SBIUQHSGHQVCAP-HXUWFJFHSA-N 437.547 5.253 0 40 IKAB COc1cc2c(cc1CN1CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 257324346 WOFYRNRKKXIDJO-DEOSSOPVSA-N 430.567 5.688 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3cccc(F)c3)CC2)n1 257330306 XNUIYOGPHNNWBG-XYWHTSSQSA-N 446.570 5.434 0 40 IKAB COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 257332305 XWRUPDSOYWJZHA-XMMPIXPASA-N 447.022 6.203 0 40 IKAB COc1cc(COc2c(Cl)cc(C(=O)O)cc2Cl)ccc1OCc1ccccc1 408541541 ZVDNKQFKXVNRJU-UHFFFAOYSA-N 433.287 5.858 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccccc1C 408595805 OOBNQQLKWHHWAK-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Br)cc3)ccc21 408597943 WVWBQKMMXOCNJM-UHFFFAOYSA-N 429.339 5.378 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408647395 VHYPXSLUHZAMQR-HKUYNNGSSA-N 434.923 5.681 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2)c1 408698364 MYHFTKGVKZREDL-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 408703163 DVSZQTMJONHJBW-XMMPIXPASA-N 436.964 5.675 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1 409098029 NCWUIMJASWMTPD-UHFFFAOYSA-N 445.386 5.157 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 409112024 ALLZCMJRGPMJEC-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 409174319 RVXYMWHHCYHUDN-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 409202188 PUFZFCISLZJKDK-FMNVXAMXSA-N 431.535 5.117 0 40 IKAB O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccccc1Cl 409378719 QSOFCEQVCJNAPQ-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409409207 FZYIPJRXMNCFCP-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB C[C@@H](CCN1CCC(Cc2cccc(-c3cccnc3)c2)(C(N)=O)CC1)c1ccccc1 585166492 NRAQHESSIHTZDQ-QFIPXVFZSA-N 427.592 5.052 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 884527 NQGBKDGVSKKELW-SFHVURJKSA-N 447.629 5.536 0 40 IKAB Cc1cccc2c(SCC(=O)NCc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12 1367385 ZGFYNMJUCAXPFE-UHFFFAOYSA-N 435.499 5.292 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1ccccc1 1448241 KCPZALYPRVFHHM-KRWDZBQOSA-N 436.342 5.912 0 40 IKAB CC(=O)Oc1ccc(C(=C(Br)C(C)(C)C)c2ccc(OC(C)=O)cc2)cc1 1643969 OGNIQKVHZLJBDK-UHFFFAOYSA-N 431.326 5.738 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1737992 HSBMMWWSPKSUOM-UHFFFAOYSA-N 447.321 7.136 0 40 IKAB O=C(c1ccccc1)c1c(-c2ccccc2)c(C(=O)c2ccccc2)c2ccccc2c1Cl 1757061 NOUMTVJPRRYJEK-UHFFFAOYSA-N 446.933 7.622 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)C 1817024 ITBZCTBEJMCLOU-OCUVMPOSSA-N 430.610 7.109 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 1851377 JTSPCIMKWXCCSD-VMPITWQZSA-N 439.770 6.298 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc(OCc2ccccc2)c1 1865281 UMOTVDFVRQSJPN-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@H](CC)C2 2105198 LWZLVXUOCRWAPO-LBPRGKRZSA-N 448.009 6.560 0 40 IKAB COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)c1 2229609 RMNGPBOWDOGYGW-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 2256141 LVQQGWHHVQFJNP-XZOQPEGZSA-N 430.870 5.283 0 40 IKAB CCCCn1c(SCC(=O)c2c[nH]c3c(CC)cccc23)nnc1-c1ccc(OC)cc1 2656665 QFXIDCNDNZDGHY-UHFFFAOYSA-N 448.592 5.773 0 40 IKAB Cc1ccc(C(=O)N[C@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 3010979 MXWRELPZNMXJRM-HNNXBMFYSA-N 426.558 5.840 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)cc(C)c4)c3N2)cc1 3012740 PIIRWWPKKSDYLA-VQTJNVASSA-N 428.458 5.721 0 40 IKAB COc1ccc(NC(=O)Cc2sc(-c3ccc(Cl)cc3)nc2-c2ccccc2)cc1 3047471 HZCTWEFQBFOUTI-UHFFFAOYSA-N 434.948 6.320 0 40 IKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CNc1ccc(Oc2ccccc2)cc1 3173979 CHKPWYKJLVVMNN-STZFKDTASA-N 436.920 6.238 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccccc2Br)CCCCC1 3176201 OIYOIHUWJMFDIY-UHFFFAOYSA-N 443.385 5.480 0 40 IKAB CC(C)c1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 3177066 BCUSTBDELLCTOE-UHFFFAOYSA-N 436.275 7.795 0 40 IKAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 3252473 MIJYCUKEMITICC-QGZVFWFLSA-N 427.456 5.522 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1C 3276631 MNOZKDJXHKYZMF-UHFFFAOYSA-N 439.393 5.936 0 40 IKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cc(Br)ccc1Cl 3281181 DOYZYKUPKYUHPE-UHFFFAOYSA-N 435.730 5.088 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 3347224 VTUQUYRILRKYLR-HXUWFJFHSA-N 430.548 5.999 0 40 IKAB CCCCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=N)NC2=O)cc1 3852078 ZPAJZSLBLJWOOH-JWGURIENSA-N 446.576 5.637 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4177326 CLQSTNBXINTVCK-UHPHFRDNSA-N 428.642 5.543 0 40 IKAB CCCCCCOC(=O)[C@H](CCCC)P(=O)(OCCCCCC)OCCCCCC 4429438 BMEMCUBESWSWAB-QHCPKHFHSA-N 448.625 8.056 0 40 IKAB COc1ccc(C(c2ccccc2C(=O)O)c2ccc(OC)c3ccccc23)c2ccccc12 5808120 RPHANSZCZYCVHU-UHFFFAOYSA-N 448.518 6.889 0 40 IKAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 8231992 GANQUGODZYJLAQ-RUZDIDTESA-N 427.548 5.031 0 40 IKAB CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@](O)(c2ccc(Br)cc2)C1 8425390 COGMEKUTJZKSIN-XMMPIXPASA-N 449.348 5.573 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1coc2c(C)c(C)ccc12 8869273 MRDNTEDRZVFBFV-UHFFFAOYSA-N 447.556 6.444 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(CC)cc2)cc1 9296266 SZOZFHZYNPPEMX-UHFFFAOYSA-N 443.576 5.185 0 40 IKAB Cc1ccc(NC(=O)c2c[nH]c3ccccc23)cc1S(=O)(=O)Nc1ccccc1Cl 9363988 XYPGXRHHXRLCNO-UHFFFAOYSA-N 439.924 5.183 0 40 IKAB Cc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Br)c(C)c2)cc1 9599358 WIRFMOWVYWKTQR-UHFFFAOYSA-N 444.398 5.375 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1F 9664524 KTWSVMXKOBLVLE-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 9666709 DKEPOWKFZSNNCK-MRXNPFEDSA-N 433.577 5.283 0 40 IKAB Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3ccc(Cl)cc3)C(=O)C2)c(C)c1 10273935 OUBCOSBDOMHTJS-UHFFFAOYSA-N 431.923 5.453 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 10337729 DJXFRAOIYWULTR-UHFFFAOYSA-N 442.968 5.275 0 40 IKAB Cc1cc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3cnn(C(C)C)c3n2)c(C)o1 11370625 RIBKHLMMIXNDED-UHFFFAOYSA-N 428.414 5.559 0 40 IKAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 11427579 DGEJSAYLMMSFOF-UHFFFAOYSA-N 443.503 5.126 0 40 IKAB CCOc1ccc2oc(-c3ccccc3)c(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c2c1 11866465 MGFSEDBGAXHWDG-UHFFFAOYSA-N 428.488 5.734 0 40 IKAB biogenic CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(CC)cc1 12414870 FNILLHHJVGGUGW-UHFFFAOYSA-N 429.563 5.263 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N(C)Cc1ccccc1N1CCCC1 12509543 IEFBSTCCHMQPOC-UHFFFAOYSA-N 436.987 5.074 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccccc1)C1=CCCCC1 12803203 VYABSQHPLAEGRA-UHFFFAOYSA-N 436.581 5.293 0 40 IKAB C[C@@H](Oc1ccccc1)c1nnc(SCCC(=O)Nc2ccccc2)n1-c1ccccc1 12851331 OAUORMOFNBWWKL-LJQANCHMSA-N 444.560 5.528 0 40 IKAB COc1cccc(C(=O)CSc2nnc3n(Cc4ccc(C)cc4)c4ccccc4n23)c1 13084155 NGEZHBXTNMZFRX-UHFFFAOYSA-N 442.544 5.024 0 40 IKAB Cc1ccc(CNC(=O)COc2cc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 13164606 BEXMEGGXAFBNJE-UHFFFAOYSA-N 438.527 5.404 0 40 IKAB Cc1cc(C)cc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)c1 13564719 OVTVNKWHRKVPOJ-UHFFFAOYSA-N 438.506 5.749 0 40 IKAB Clc1ccc(NC2=Nc3cc4c(cc3[C@@H](c3ccc(Cl)cc3)O2)OCCO4)cc1 15023772 KVMCJVYNJRXRRV-OAQYLSRUSA-N 427.287 5.984 0 40 IKAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2C)cc1 15413243 UZWBREBAKUUHQM-RUZDIDTESA-N 430.573 5.455 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 15910324 BASAPHXKTUUGLJ-JOCHJYFZSA-N 433.895 5.399 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)cc1C 16312540 KIEGSGRHYDLXDA-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB O=C(NCc1ccccc1Cl)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccccc1 16476619 QWFBOWIQWLGVNM-STZFKDTASA-N 425.315 5.081 0 40 IKAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 16742100 YAWQNBCIINKXBO-DEOSSOPVSA-N 441.483 5.167 0 40 IKAB CCc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)c2c1 16753239 AXVNTOCNKZLPOO-UHFFFAOYSA-N 448.544 5.250 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccccc3C)c2=S)cc1 16769132 KAZBBTTZRQFRJB-UHFFFAOYSA-N 444.560 5.238 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)COc2c(C)cccc2C)n1 19525628 FOHPSZAGSVDZFU-QHCPKHFHSA-N 444.579 5.159 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 20797480 QVGZUQDLPSEEJK-JOCHJYFZSA-N 430.895 5.323 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 22386390 VXRJKKMBPWMIGF-HXUWFJFHSA-N 440.927 5.309 0 40 IKAB O=C(NC[C@@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 22766046 JUPKARFDRYOMOU-NRFANRHFSA-N 430.495 5.296 0 40 IKAB Brc1ccc(-c2csc3ncnc(Sc4nnc(C5CC5)o4)c23)cc1 24989078 VXDUJSMIIFVWNC-UHFFFAOYSA-N 431.340 5.532 0 40 IKAB C[C@@]1(CCc2ccccc2)NC[C@@H](c2ccc(Cl)cc2Cl)c2c1[nH]c1ccccc21 25480328 BHMUOSZNNXHPOJ-LVXARBLLSA-N 435.398 7.058 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Oc2ccccc2)cc1 30867457 BUJZGILCVLTFEV-UHFFFAOYSA-N 427.831 5.952 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30938690 VWWGTRGOVQSHNR-LBPRGKRZSA-N 432.178 6.151 0 40 IKAB Cc1nc2ccc(C(=O)N(C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)cc2nc1C 32741247 YEJTYQZPEXWBFE-UHFFFAOYSA-N 447.970 5.034 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 38752872 SVAPRTDVMQJYNA-UHFFFAOYSA-N 433.551 7.134 0 40 IKAB O=C(OCC12CC3CC(CC(C3)C1)C2)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 45221319 AQYFYVSNLJVOJX-UHFFFAOYSA-N 439.987 5.363 0 40 IKAB Cc1cccc(-c2csc(C(=O)Nc3ccc(Br)cc3)c2-n2cccc2)c1 64872280 MNTJWYJTNWIGCO-UHFFFAOYSA-N 437.362 6.529 0 40 IKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1F 67258534 CGWHOQCQVZHQLF-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB Fc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 72332614 WHKFWYWQPHNMPH-IFMALSPDSA-N 431.269 6.514 0 40 IKAB O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 89830380 HPNMXCOMSVXBCO-QFIPXVFZSA-N 443.572 5.490 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)c(Cl)c3)n2)cc1 95482475 KOESLRATGHDVPF-UHFFFAOYSA-N 436.364 5.244 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cc(Br)cc(C(F)(F)F)c1 98072696 OXIJGUNWAYQZMS-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB CCOC(=O)c1cn(Cc2ccccc2Cl)c2cc(C(F)(F)F)c(F)cc2c1=O 199727949 ICAGPFHGBRXUAE-UHFFFAOYSA-N 427.781 5.038 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222589496 BODWZGQKQCQADV-RUZDIDTESA-N 434.580 5.378 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@H]1CCCN(Cc2ccccc2Cl)C1 222626204 NYOCDVZWJASLOA-INIZCTEOSA-N 447.391 5.363 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccc(OCc2ccc(F)cc2)cc1 223306311 JXISRUUSRRVJHD-UHFFFAOYSA-N 447.934 5.747 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 223438654 PECOTFDCUBYKJE-JOCHJYFZSA-N 444.616 5.171 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223609496 TUVBYTCPTYHXLK-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 224019420 DXNYOZOHDHLQFK-QGZVFWFLSA-N 433.017 5.154 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224319887 JNZCQFWGFOUZSN-JWQCQUIFSA-N 430.621 6.182 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 224496709 BARURGRPTXANIR-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1CSc1ccccc1 224652203 LONZLBONFWRWCX-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)cc1 224933970 TWYBBNBNPMYDIB-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 224936984 KACJOZLHPWVXQA-HNNXBMFYSA-N 425.579 5.115 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225015318 WBPCJLKMYZRKFA-OALUTQOASA-N 447.044 5.214 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2)o1 227145697 QIHRFAUJEUNKST-SOFGYWHQSA-N 431.717 5.905 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@H]32)cc1 247851495 RUTRJJLYGLJIKF-NHQIJDEQSA-N 430.317 5.671 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)cc1NCc1ccccn1 257276118 NSKZDPZONKIGGP-AREMUKBSSA-N 449.558 5.436 0 40 IKAB Cc1ccccc1CN1CCC[C@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 257323948 WMNVHPLBAPYRQN-QFIPXVFZSA-N 446.570 5.102 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(F)cc2)cc1 408627512 NIIGGSRVWIMJPR-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccc(C)c(Cl)c2)c1 408698332 PFZWETNJKIKHEU-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1 408919332 WNABOGRRIFDPPN-ZCOIRKDISA-N 443.930 5.223 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1cccc(F)c1 409111534 COSSJKPSNMTXTF-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)n1C 409168833 NWMHPOVCHMZHMC-UHFFFAOYSA-N 438.597 5.119 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 409182210 JJUNSJISKPJBAF-RQZCQDPDSA-N 435.332 5.231 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409233123 QODXUXIPHJXBQL-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1366540 MJZXEQDOMJHDIT-UHFFFAOYSA-N 446.576 5.235 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377389 NRRMAYJYLWVZHD-UHFFFAOYSA-N 441.578 5.093 0 40 IKAB O=C(N[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1Cl 1436687 TXLDMFOYROGSCL-IBGZPJMESA-N 433.722 5.757 0 40 IKAB COc1ccc([C@@H](Sc2ccc(Cl)cc2)[C@@H]2CCc3ccccc3C2=O)cc1OC 1798844 OSDNTUDUPKOALG-PXDATVDWSA-N 438.976 6.636 0 40 IKAB Cc1nc2c(cc(Oc3nnc(-c4ccc(F)cc4)c4ccccc34)c3ccsc32)s1 2083508 NBHCFCAEEJSWJC-UHFFFAOYSA-N 443.528 7.361 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc(Cl)cc1F 2105649 PQCFYVGHRPVAMB-UHFFFAOYSA-N 425.290 6.908 0 40 IKAB Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nc3sc(C)c(C)c3c2=O)c1 2143326 DZDHQYBJIVKFLZ-UHFFFAOYSA-N 442.609 6.818 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2215807 OQULNFYSWYKMFB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NC5CCCCC5)ncnc4c23)CO1 2298641 AZXDDNNQVQMPOG-UHFFFAOYSA-N 434.565 6.095 0 40 IKAB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4Cl)nc3C2)cc1 2422642 KXOLUMNYZKYJTJ-CQSZACIVSA-N 426.303 5.257 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1nnc(SCc2ccc(F)cc2)s1 2661350 KSGNDPDHGYNUFF-UHFFFAOYSA-N 425.510 5.140 0 40 IKAB Cc1ccc(NC(=O)c2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)c(C)c1 2797705 QDXXKEDJIQMDMH-OAHLLOKOSA-N 433.581 5.359 0 40 IKAB Fc1ccccc1-c1nnc2c3ccccc3nc(Oc3ccc(Cl)cc3Cl)n12 3063648 IKZFMOOVTIQLDS-UHFFFAOYSA-N 425.250 6.183 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 3146023 FWAUPPVMWREHOB-UHFFFAOYSA-N 435.523 6.929 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cc2c(s1)CCC2 3231226 JUPAZYNLTQIBFS-UHFFFAOYSA-N 431.966 6.048 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccc(OC)cc4)n3C(C)C)c[nH]c12 3285496 BADCGZVATAAXQG-UHFFFAOYSA-N 434.565 5.553 0 40 IKAB O=C(OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc(Cl)c(Cl)c1 3367812 XCBCBFBVQARMRS-UHFFFAOYSA-N 431.300 5.315 0 40 IKAB CC[C@H](C)N(C(=O)NCCCCCCNC(=O)N([C@@H](C)CC)[C@@H](C)CC)[C@@H](C)CC 5002796 IKUIGTIMDRBBOP-CMOCDZPBSA-N 426.690 5.764 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 6134683 SISIKAFUXWVUBL-QGZVFWFLSA-N 440.678 6.736 0 40 IKAB CCC(=O)Oc1c(OC)cc(/C=C/c2ccc3cccc(OC(=O)CC)c3n2)cc1OC 8397698 NLSPUENDZXQYPU-ZRDIBKRKSA-N 435.476 5.053 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 8871518 CWSSYZKPILTIQK-QFIPXVFZSA-N 439.559 5.621 0 40 IKAB COc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 8916809 NUOQWMJBQZKGPV-LJAQVGFWSA-N 433.555 6.663 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(C)cc(Cl)cc3s2)cc(OCC)c1OCC 8956139 LUQJXTOYBYVZDF-UHFFFAOYSA-N 434.945 5.707 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nc5cccnc5[nH]4)cc3)sc2c1 9110279 XNDODDJKCBISPY-UHFFFAOYSA-N 431.546 5.274 0 40 IKAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2ccc3ccccc3c2)C1=O 9233236 PWKITCDVSVXNCD-WSDLNYQXSA-N 435.501 5.102 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 9670401 YPZRFLAWNADHCE-UHFFFAOYSA-N 437.906 5.302 0 40 IKAB Cc1ccn2c(NC(=O)c3cc(Cl)c4c(c3)OCCO4)c(-c3cccs3)nc2c1 9671962 IBJXYAOGOZLJNO-UHFFFAOYSA-N 425.897 5.048 0 40 IKAB Cc1sc2c(c1C)c(=O)n(-c1ccc(Cl)cc1)c(=O)n2Cc1ccc(F)cc1Cl 9937386 NFOHPVZBFNPFOF-UHFFFAOYSA-N 449.334 5.325 0 40 IKAB Fc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Br)cc1)=N2 12486565 BQCPCYJVPSVAJG-UHFFFAOYSA-N 428.692 5.676 0 40 IKAB Cc1c(-c2nnc(CSc3nnc(C4CC4)n3Cc3ccco3)o2)oc2ccccc12 12813235 UAIAHVXMDFTPMN-UHFFFAOYSA-N 433.493 5.194 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccccc2F)c1C(F)(F)F 13008548 BDOVXDJGOIOATB-UHFFFAOYSA-N 432.204 5.267 0 40 IKAB Cc1cc(C)c(NC(=O)CCCS[C@@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 13012345 QVQQLHORYFTWEC-FQEVSTJZSA-N 426.626 6.214 0 40 IKAB S=C(Nc1c2c(nc3ccccc13)CCCC2)Nc1c2c(nc3ccccc13)CCCC2 13222699 GMCNXFSROKTTBP-UHFFFAOYSA-N 438.600 6.350 0 40 IKAB COc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1NC(=O)c1cccs1 13566135 FGBCSSMECLLUCM-UHFFFAOYSA-N 436.920 6.068 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 13842461 RJJMPAJYZOOGQY-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB O=C1CCc2cc(C(=O)CSc3nnc(-c4ccccc4)c4ccccc34)ccc2N1 14115673 RMXSLMRNYAJAOQ-UHFFFAOYSA-N 425.513 5.157 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C@@H]3C(=O)O)cc2)cc1 14974428 BOZRFEQDOFSZBV-PKTZIBPZSA-N 428.488 5.681 0 40 IKAB in-vitro Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=S)NC(=O)c1ccccc1 16284562 LPMCAWARAVZESL-UHFFFAOYSA-N 437.528 5.009 0 40 IKAB Cc1ccc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1 16348637 JAUPOFNHSXZRGX-UHFFFAOYSA-N 442.902 6.647 0 40 IKAB Fc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)c(F)c1 16524038 NCXGXADYLJUXRX-UHFFFAOYSA-N 427.281 6.890 0 40 IKAB Cc1c(C(=O)NCCCN2CCCC[C@@H]2C)cc(-c2ccccc2)n1-c1ccc(F)cc1 16531728 PIBOZLGJUGNEIC-FQEVSTJZSA-N 433.571 5.586 0 40 IKAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1NC(=O)c1ccccc1Cl 17097226 KXWPWFPAWIXQGJ-UHFFFAOYSA-N 430.891 6.006 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 19236833 GRWXCKRXPOPWKB-NBGIEHNGSA-N 435.518 5.052 0 40 IKAB Cc1ccc2[nH]cc([C@@H](C(=O)O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20737191 BBSLLIRKNWLBQQ-MHZLTWQESA-N 439.559 5.009 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1 23860560 GGIAAXPTNVBGPH-QFIPXVFZSA-N 443.591 5.027 0 40 IKAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2N1C(=O)c1ccccc1 28206880 BDLDQNYZESTBMG-SFHVURJKSA-N 442.540 5.232 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)cc1C 30753715 QRIGKTXOYSXGHV-DEOSSOPVSA-N 448.588 5.220 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4c5c(cccc35)CC4)o2)cc1C 33397850 CCEOREOVEJDTFY-UHFFFAOYSA-N 426.541 5.942 0 40 IKAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)cc1 33664220 FFOPWSKURPPUDH-UHFFFAOYSA-N 436.533 5.257 0 40 IKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccncc5)c3c2N)CCCC4)cc1OC 35326342 WIIVQAYKJKKVGY-UHFFFAOYSA-N 445.544 5.068 0 40 IKAB Cc1cc(C)c2c(NC(=O)c3ccccc3)c([C@@H](c3ccccc3)c3ccc(C)o3)oc2n1 36559020 JNBNGPNQTJPYSN-DEOSSOPVSA-N 436.511 6.779 0 40 IKAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1CCC(c1ccccc1)c1ccccc1 36569414 YBXSCHYPYJUFCQ-UHFFFAOYSA-N 435.527 5.375 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(Br)cc3C)cc(C3CC3)nc21 36616441 LRICCKWTOFRSGH-UHFFFAOYSA-N 441.373 5.740 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 38753753 WOHVYMVIUMXVPL-VWLOTQADSA-N 443.930 6.520 0 40 IKAB Cc1cc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(Cl)cc2)ccc1Cl 40301079 CTRQONFSXHALOM-UHFFFAOYSA-N 440.330 5.869 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44855429 HPQIPCUTZLBFIS-SANMLTNESA-N 440.587 5.586 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44911475 RCCNAYJTZCTUFA-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB Cc1oc(-c2ccc(OC(C)C)cc2)nc1CSc1nc(O)cc(-c2ccccc2)n1 45924684 NWXZUSCOWVEOHT-UHFFFAOYSA-N 433.533 5.892 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1 48291126 FLWSRCNHUWFLNK-CQSZACIVSA-N 445.479 5.505 0 40 IKAB COc1cccc(CSc2nc3c(sc4ncccc43)c(=O)n2CCC(C)C)c1 48989014 IDKTVKFWBSRODU-UHFFFAOYSA-N 425.579 5.353 0 40 IKAB CCOc1ccc(-c2cc3c(SCc4ccc(C(=O)OC)o4)nccn3n2)cc1Cl 48990953 VXESHYKJRIDIBR-UHFFFAOYSA-N 443.912 5.120 0 40 IKAB Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)c(C(=O)N3CCC[C@H](C)C3)cnc2n1 49005418 XMFMDJSHDVQUOT-AWEZNQCLSA-N 444.457 5.453 0 40 IKAB Cc1cccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)c1 65322326 NSJOFHNCKTZQRO-UHFFFAOYSA-N 434.584 5.175 0 40 IKAB CCOc1ccc(C2=C[C@H](c3cc(Br)ccc3F)n3ncnc3N2)cc1Cl 102664455 JAPMOOOYQDBUHU-QGZVFWFLSA-N 449.711 5.288 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C2[C@@H]1c1ccccc1 102879522 GZCBREOSOKFUPB-DCFHFQCYSA-N 442.946 6.910 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106722480 YSLRMSQNKQIPBS-PDGQHHTCSA-N 432.339 5.474 0 40 IKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccc(Cl)cc1 107797190 WQDPWEDLPAZXAT-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 216035570 KPAIIRJCCCVWDJ-UHFFFAOYSA-N 426.756 5.900 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223115474 JCPBMYCAQSZADH-XZOQPEGZSA-N 447.560 5.345 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)c(C)c2)cc1 223555019 NRNQBDQPDUZQRO-UHFFFAOYSA-N 444.641 5.138 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C(C)(C)C 224172107 ASOLVHHPUKGMBC-UHFFFAOYSA-N 435.589 6.546 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 224197151 OXMPMCGAYMYLDI-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1C 224257474 OXXNFYVKNDYACM-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 224329770 CKKASHGYXNBPKX-FTJBHMTQSA-N 438.600 5.920 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 224538460 NZMDZOWSVQGOKH-JOCHJYFZSA-N 431.576 6.032 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)oc2ccccc23)c1 225151920 ZZKMPGMRFOLNHR-KQWNVCNZSA-N 436.467 5.897 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225246402 WKKSHJCHANLHAQ-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225602025 NALQNDKLCLYBPU-UHFFFAOYSA-N 427.639 5.040 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@H]32)CC1 247882608 RSUMDFBTCAAZNY-ZKOSBZSFSA-N 443.031 5.085 0 40 IKAB COc1cccc(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c1 257326264 WWNTWSHHHCQZMH-HSZRJFAPSA-N 440.465 5.677 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260814713 MQFVIPBIOGRSAB-QHCPKHFHSA-N 446.676 5.993 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1cccc(Cl)c1 408553415 WCEVXHUSKNEDSU-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cc(C(=O)Nc2ccc(F)c(C)c2)cc(Br)c1OCc1ccccc1 408623339 SNXLWKSNUMZZLV-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408641096 JRDUMGVOYRVAJO-CQSZACIVSA-N 435.749 5.019 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408654729 GLSNKERDXBRKSK-QGZVFWFLSA-N 426.299 5.619 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)cc3C)c3ccccc3n2)cc1 408669821 OXPGGBYTHICOLJ-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 408702218 LRXWPCOKCXWEGZ-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Cl)c1OCc1ccccc1 409020714 SJBIAXHGCXPVSV-NPRIEWAGSA-N 445.968 6.153 0 40 IKAB COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1cccc(C)c1 409197085 VPQBMVPKWKJHTM-WSDLNYQXSA-N 447.918 5.889 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409349048 QLVLSVUPXMPOGX-GQFJFNLSSA-N 429.925 5.437 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 646950 LJUPEZOJSBKFTP-HKUYNNGSSA-N 448.876 5.469 0 40 IKAB CSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 684885 XWUGSNRVVFKXKK-GOSISDBHSA-N 433.320 5.011 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)c1ccc3c(c1)OCO3)C(C)(C)c1ssc(=S)c1-2 844591 HFDRIYIFIHAXRQ-UHFFFAOYSA-N 441.599 6.447 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 875980 SMYZYXGEOVILOP-UHFFFAOYSA-N 445.544 5.668 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 886547 OCNAMYQZZWYRMZ-SFHVURJKSA-N 429.549 5.065 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 886645 VOTNFDKBVNGMFV-QGZVFWFLSA-N 430.533 5.068 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)c(C)c1 944086 KVCPQQGMVPXJJR-UHFFFAOYSA-N 447.556 6.159 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cccs1 1333501 OJBAGCLOHOQZFM-QHCPKHFHSA-N 436.577 5.482 0 40 IKAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc2N1C(=O)C1CC1 1366177 FBGPRCNYCRPQHK-CYBMUJFWSA-N 437.952 5.403 0 40 IKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1371306 WJOISFDFRXSBRN-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)c4cccs4)n12)CCCC3 1376505 QFXBUYXYCWPOBB-UHFFFAOYSA-N 428.608 5.378 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccccc2Cl)c1C 1890837 RZSVZMDBWGIBIH-HSZRJFAPSA-N 447.991 6.867 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(C)cc1C 1914017 CQHSGCJJWWKYDG-UHFFFAOYSA-N 437.561 6.006 0 40 IKAB COc1ccc(Oc2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 1940854 BHPDEFWJLVBKAS-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)c1ccc(Br)cc1 1994104 OLWNYWBEWCMJAU-UHFFFAOYSA-N 425.234 5.077 0 40 IKAB O=C(N[C@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2066241 KRBZQXNCVKMQGA-SFHVURJKSA-N 428.146 6.031 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3cc(Br)ccc3n2)cc1 2088985 LZONFBOZKZNYGZ-UHFFFAOYSA-N 445.360 5.945 0 40 IKAB Cc1cccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)c1 2111729 APPASPBEFPFHKC-AHKZPQOWSA-N 449.554 6.083 0 40 IKAB biogenic CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@H]1c1cccs1 2257249 MGOLEUARBKVJGG-SFTDATJTSA-N 448.548 5.761 0 40 IKAB Cc1ccc2nc(-c3ccccc3)c(C)c(C(=O)OCC(=O)c3ccc(Cl)cc3)c2c1 2307788 BWBUMKHHHKNCDU-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB Brc1ccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 2311692 PXRVQOJGWRNAHW-UHFFFAOYSA-N 439.150 7.094 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1 2321699 UOSNITOXVMRZNX-UHFFFAOYSA-N 426.520 5.288 0 40 IKAB CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)COC(C)(C)C4 2361098 CAYYOOYTLLPYFY-UHFFFAOYSA-N 428.608 5.205 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2cccc(F)c2)c1C 2546544 YZSISXMDWSTCCL-QHCPKHFHSA-N 431.536 6.353 0 40 IKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccccc1C(F)(F)F 2631850 QVBUDTBAZRAUTQ-SDNWHVSQSA-N 437.464 5.551 0 40 IKAB O=C(/C=C/c1ccc2ccccc2c1)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2669443 CHOLVEKRKDMCIT-PKNBQFBNSA-N 439.367 6.846 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 3016768 GLUPEEJTCCQNQN-UHFFFAOYSA-N 437.539 6.822 0 40 IKAB O=P(OCC(Cl)(Cl)Cl)(OCC(Cl)(Cl)Cl)Oc1ccccc1 3135498 SEAHICPWDJFVMP-UHFFFAOYSA-N 436.870 5.947 0 40 IKAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1c2ccccc2Sc2ccccc21 3165883 DTTUHTOZLVZZLJ-UHFFFAOYSA-N 430.532 7.345 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCc2ccc(Br)cc2F)c1CC 3336295 BFLQCPPWYXRICD-UHFFFAOYSA-N 430.317 6.008 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846393 KRLZDCUGJCHXMY-SCIMUGROSA-N 448.688 6.801 0 40 IKAB biogenic CCCCC1CCC(C(=O)OCC(=O)c2ccc(C3CCC(CCC)CC3)cc2)CC1 4697348 WZUFTEOYZWJVKB-UHFFFAOYSA-N 426.641 7.483 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 8385397 LNWDQGIXCASRCN-UHFFFAOYSA-N 425.517 5.359 0 40 IKAB Cc1ccc(-c2nc3n(n2)[C@H](c2ccccc2Cl)C=C(c2ccc(Cl)cc2)N3)cc1 8592227 SYZVELBUEBWBRG-QFIPXVFZSA-N 433.342 6.616 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 8603949 VWZPSGZHGJIZDQ-UHFFFAOYSA-N 428.532 6.148 0 40 IKAB aggregator O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12)c1ccccc1 8722006 SFTPYWUYYDVVMR-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 8753084 QXJDZPJQPVLJFD-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8755674 PPPJNGNYPKEZLV-KRWDZBQOSA-N 449.913 5.406 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 8852871 UJMXNASEZRPZEN-UHFFFAOYSA-N 439.606 5.487 0 40 IKAB COc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)C[C@@H]2C)c1 9034275 SASIHYJRVRVPCN-SFHVURJKSA-N 431.561 5.629 0 40 IKAB C[C@@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1Cc1ccccc1 9057716 AERIEVYZMIEUNL-MRXNPFEDSA-N 434.337 5.338 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2cn(CC(=O)N3CCC(C)CC3)c3ccccc23)c1 9118474 WTFZAYLIWGTLRU-UHFFFAOYSA-N 449.620 5.247 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCc2sccc2[C@H]1c1cccs1 9200812 QWCLYQUCVBNVQG-IBGZPJMESA-N 447.507 5.352 0 40 IKAB Cc1ccc2nc(-c3ccc(N[C@@]4(c5ccccc5)OC(=O)c5ccccc54)cc3)sc2c1 9327495 QPHKJBRWOBGBEA-NDEPHWFRSA-N 448.547 6.755 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355544 CKFLBURPIRFVSR-ADXZGYQBSA-N 446.525 7.280 0 40 IKAB Cc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)Nc3ccc(N4CCC(C)CC4)cc3)ccc12 9411005 MJUAKJAOBDNTPV-LJQANCHMSA-N 434.536 5.052 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 9496037 OABRTUXILMIGEJ-KRWDZBQOSA-N 434.714 5.166 0 40 IKAB Cn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 9602864 NOQNEENZVHHMSJ-QFIPXVFZSA-N 432.524 5.017 0 40 IKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 9678791 CZDBTPOJTLCTRK-UQBPGWFLSA-N 434.561 5.077 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccc(C)cc3c2=O)cc1 9855775 MSQHXPKLMZGYAW-UHFFFAOYSA-N 438.527 5.105 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2)c(OC)c1OC 9973442 DGZZONDIBTWWOH-FOWTUZBSSA-N 435.545 5.657 0 40 IKAB O=C1c2ccccc2CC[C@H]1[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 10059608 YINNRXHQONSTFJ-IRPSRAIASA-N 433.507 5.020 0 40 IKAB CCc1ccc2nc(N(CCN(CC)CC)C(=O)c3ccc4ncsc4c3)sc2c1 10066636 DOBNQQQGFZMFDI-UHFFFAOYSA-N 438.622 5.457 0 40 IKAB COc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)cc3)s2)c1 10267702 ZEIKQCKOSQYSGJ-UHFFFAOYSA-N 436.356 5.028 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(OC[C@@H]3CCCO3)C2=C(N2CCCCC2)C1 12491001 FPHJHUUUCKCBSR-GEFUHLBYSA-N 443.528 5.769 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccccc3Br)OC2=O)cc1 13928360 IKFNNCACNJCKAA-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2c1 13946113 QKTKHDXKWVOYEM-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc3O)nc2c1 14270212 GAHHKOOHLXQJCB-UKTHLTGXSA-N 443.528 5.289 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 14404854 HXTXFHZMGAKADK-CCEZHUSRSA-N 442.544 5.455 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 15881513 NETLWYFZHAETOT-UHFFFAOYSA-N 428.414 5.472 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCc2ccccc2)cc1 16752447 XIKFNUOIXULOQY-XMMPIXPASA-N 425.484 5.327 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)o2)cc1 16846383 CJWHLGJSZYFEQN-UHFFFAOYSA-N 448.422 5.298 0 40 IKAB Cn1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 19290448 SJVXRBDLXUORKH-KBMIEXCESA-N 444.604 5.018 0 40 IKAB CCc1cccc2c(/C=C3\N=C(S)N(CC)C3=O)cn(Cc3c(F)cccc3Cl)c12 20058673 RDJOBDOKIJKSGN-JAIQZWGSSA-N 441.959 5.533 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(C(=O)O)ccc1Cl 20151103 XUUYSEMQXYJXBZ-ZZXKWVIFSA-N 436.678 6.257 0 40 IKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccc(OC)cc1)C3 20412300 TVCFMNNDYRTOFX-UHFFFAOYSA-N 427.928 5.192 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 20491154 DNBSGTDOAJINHB-QFIPXVFZSA-N 442.968 5.046 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCN(C)CC2)c1C 23292197 XZMSLLDZORVNNV-QHCPKHFHSA-N 437.584 5.093 0 40 IKAB Cc1cccn2c(NC(=O)c3sc4cc(F)ccc4c3Cl)c(-c3ccccc3)nc12 24751226 AXOPTTPGOICYNI-UHFFFAOYSA-N 435.911 6.569 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1 26477095 OFCAIMWNICPTBU-SFHVURJKSA-N 431.439 5.170 0 40 IKAB COc1ccc(OCC(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744482 YZFXJCJZCLAUSI-OAQYLSRUSA-N 434.923 5.157 0 40 IKAB Cc1ccc(-c2noc(-c3sc(NC(=O)c4cc(-c5ccccc5)on4)nc3C)n2)cc1 31814922 VAIRCAQQLSAAOI-UHFFFAOYSA-N 443.488 5.384 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)sc2c1 32118810 CVPWORIJROHSLZ-UHFFFAOYSA-N 427.595 5.553 0 40 IKAB CC(C)[C@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 32908370 CEPBYQGWJZKJNW-SANMLTNESA-N 447.579 5.001 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33272018 WPJWWDPOLXVBGZ-UHFFFAOYSA-N 426.925 5.015 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 33546430 KCPOZESQGUYETK-UHFFFAOYSA-N 430.017 5.755 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Br 33615926 HBWYHKILKFCODN-UHFFFAOYSA-N 425.109 6.577 0 40 IKAB CC(=O)OCC[C@H]1SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 36633829 RCDGZWSJOUUUQB-WOJBJXKFSA-N 441.940 5.078 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 39748379 PZHAGRGGQRMJSE-UHFFFAOYSA-N 445.994 6.319 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44886381 KOWROIKPVSICSE-DEOSSOPVSA-N 449.978 6.665 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 85414322 ZTSGQQIRBWBFEW-CQSZACIVSA-N 431.841 6.332 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(F)cc5F)cc34)co2)cc1 96037807 QLTUXHNGHKWWRO-UHFFFAOYSA-N 445.425 5.666 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C\c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 102495310 ALQNIJCGTCZRDM-HCSGDKDASA-N 436.504 5.136 0 40 IKAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@H]2C1 102644878 LDALHFVGDABISL-UAOJZALGSA-N 443.341 5.032 0 40 IKAB CCOc1ccccc1-c1cc(-c2cc(C(=O)O)ccc2OC)nn1Cc1ccccc1 103298755 MCUZKHZNUKETLU-UHFFFAOYSA-N 428.488 5.371 0 40 IKAB O=C(NC(=S)Nc1cccc2cccnc12)c1sc2cc(Cl)ccc2c1Cl 108932258 RXWPESIXRMHOFF-UHFFFAOYSA-N 432.357 5.883 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Br)cc2Cl)cc1 218946301 MYMBGVKPYGADNT-UHFFFAOYSA-N 440.765 5.018 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(C)cc3)c2)cc1 222546973 ULWSUWLHYQEXNV-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 222690110 GKSKSDGECLQISG-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 222841673 KBATUKIETVIYPJ-WOJBJXKFSA-N 441.398 5.016 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 223934173 QBRJPPSHONCUHS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223960648 GLIHESMPKKBUMH-VGSWGCGISA-N 449.422 5.648 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224034067 FQCNITUOZFCCRX-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224231210 BHGWXDPZXJHGQA-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cc(C)cc(C)c1 224312140 CBUCHFNFOFXIJW-JOCHJYFZSA-N 447.044 5.134 0 40 IKAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl 224332399 PHWNGNCTONARJM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224350475 UYARYASPHSPXON-SFHVURJKSA-N 449.422 5.342 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 224663639 ORGSSYXJRHTXCE-XMMPIXPASA-N 440.653 5.116 0 40 IKAB C[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 224732782 UGRYYOBRLVEBFN-ZVTCDHROSA-N 432.589 5.694 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225023307 SBLMADKYQGMGKK-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB COc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225265923 SBTBQIRQJBTDQG-SFHVURJKSA-N 438.618 5.741 0 40 IKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225530338 YFPJRLZPJLJWOJ-KRWDZBQOSA-N 434.407 7.238 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225570742 DGTAZTPRZICFGN-IBGZPJMESA-N 429.004 5.338 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225696507 UIZGUJNFBHQAMB-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 225870522 FBIMIJRBXKXTTK-UHFFFAOYSA-N 436.983 6.764 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)COc1ccc2c(c1)CCCC2 225877163 DSPSPCUJAGHSDN-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB O[C@@H](CN1CCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 247801665 WEOJIUMBVVUGJJ-WNCULLNHSA-N 435.656 5.229 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)ccc21 257226845 FMKOAZSEXWPBCL-XMMPIXPASA-N 443.566 5.214 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 257334205 YFACHLRFFQWHSG-SFHVURJKSA-N 438.934 5.270 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 260784251 VMRZSJYVSBZFHU-XPGWFJOJSA-N 431.989 5.510 0 40 IKAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408638369 CAHKDWGGEJNXAY-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(C)(=O)=O 409128557 PNOFLMDZQWIPRF-UHFFFAOYSA-N 444.556 5.367 0 40 IKAB O=C(O)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C12CC3CC(CC(C3)C1)C2 521396616 XAZZLIGHCVLLNO-SNXCOZLRSA-N 445.559 5.585 0 40 IKAB COc1ccc(CN2CCCC(C)(C)COc3ccccc3Oc3ncccc3C2)cc1 643567343 ZFZOYXBQLLIFQK-UHFFFAOYSA-N 432.564 6.084 0 40 IKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3cnc4ccccc4c3)ccc21 643570087 JDDLTHDJUCEAQS-UHFFFAOYSA-N 443.635 6.677 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3)nnc2-c2ccc(OC)c(OC)c2)cc1 1238026 NFKRYZPUXMNIRV-UHFFFAOYSA-N 433.533 5.252 0 40 IKAB Cc1nc(NC(=O)/C=C/c2ccccc2)sc1C(=O)Nc1ccc(Br)cc1 1378938 CLGSBZDDZRITRH-KPKJPENVSA-N 442.338 5.118 0 40 IKAB CN(C)C(=S)SC(=S)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1570679 UXBNOOUEHRPLEN-UHFFFAOYSA-N 445.698 6.910 0 40 IKAB C1=C(c2ccccc2)[C@H](O[C@@H]2Oc3ccccc3C=C2c2ccccc2)Oc2ccccc21 1628998 YAKDOYHRLNCZJM-KYJUHHDHSA-N 430.503 6.922 0 40 IKAB COc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 1772086 SEVPIOCKTQHZAU-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCC1 2300847 QVJFJQBKRUBPAD-DQEYMECFSA-N 448.404 6.629 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@@H]1C 2311970 OIVJVRFFZGVHGX-FNZWTVRRSA-N 444.550 6.529 0 40 IKAB Cc1nc(SCc2ccccc2Cl)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2403355 CYGHZTBSEPPMCY-UHFFFAOYSA-N 442.009 6.345 0 40 IKAB Clc1ccc(-c2nc(Nc3ccc4c(c3)OCCO4)c3c4c(sc3n2)CCC4)cc1 2620978 IXWKOUUSEVQQJH-UHFFFAOYSA-N 435.936 6.015 0 40 IKAB CCCCCC(=O)Nc1ccc(-c2csc(Nc3ccccc3C(F)(F)F)n2)cc1 2646319 WWWKMNXHPRLNIR-UHFFFAOYSA-N 433.499 7.091 0 40 IKAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 2692659 DZZJXGDKVQTITJ-UHFFFAOYSA-N 439.895 5.400 0 40 IKAB COc1ccc([C@H]2NC(=O)c3cc(C(C)C)sc3N2)cc1COc1ccc(F)cc1F 2738005 QAPUBNJISKHUPG-NRFANRHFSA-N 444.503 5.591 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 3011646 KQQNLEVBHLEXGC-MJGOQNOKSA-N 430.430 5.113 0 40 IKAB O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Br)cc1 3068006 CHVYOAYQRNFOKD-FQEVSTJZSA-N 449.175 7.182 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1C 3222809 ZAZXWJNCOORLJZ-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)c1ccc(F)cc1 3254649 UZLDXWXSFOVFKG-UHFFFAOYSA-N 428.492 5.530 0 40 IKAB CS(=O)(=O)c1ccc2nc(NC(=O)/C(=C/c3cccs3)c3cccs3)sc2c1 3272614 HOPXFAQQIWEGKQ-GXDHUFHOSA-N 446.600 5.002 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636616 CWSONHBODQDMAZ-HTAPYJJXSA-N 434.561 5.202 0 40 IKAB C[C@@H]1c2nc(-c3ccccc3)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 3840624 JFAIKPVNVLPUTI-KMZQWJRRSA-N 438.637 5.122 0 40 IKAB biogenic,in-vitro CCCCCC[C@@H](CCCCCCCCCCC(=O)OC[C@H](C)CCC)OC(=O)CC 4897245 DHZVTDROULFHNL-RPBOFIJWSA-N 440.709 8.159 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 6134466 UQBPFSCOSHJKMO-FLSMSTFGSA-N 437.543 5.669 0 40 IKAB Clc1ccc(OCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 6474918 VOZDIIPQWMXHNL-UHFFFAOYSA-N 442.371 6.445 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(-c2ccccc2)cc1 8735604 RSMPCHBFEJLVSQ-UHFFFAOYSA-N 431.586 5.907 0 40 IKAB Oc1ccccc1/C=C/C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@](O)(C(F)(F)F)C1 8753991 DFRINZYZGSOSIV-JRMCHAMMSA-N 449.429 5.185 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8828150 KZEYDMUPSFSTFZ-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB CCCOc1cccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 8845244 WUVXXHIYKIOUAS-RUZDIDTESA-N 443.503 5.218 0 40 IKAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 8922929 PKJSCMUCXVTILM-OYLFLEFRSA-N 440.326 5.247 0 40 IKAB CCOC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(C)cc3)n2)cc1 8936537 SFJWUUNSAQVLLY-UHFFFAOYSA-N 426.563 5.102 0 40 IKAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 8981337 LNHZCMQMQGNHPX-SFHVURJKSA-N 434.403 5.817 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 9054307 QZINUEPRGFBGKC-QPPBQGQZSA-N 435.568 5.083 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(OCc2ccccc2)cc1 9095350 ISVCGDYYFCIDJD-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB Cc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)cc1 9116252 XMAUMXXPBPEBPW-UHFFFAOYSA-N 441.556 5.637 0 40 IKAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3F)cc2O)cc1 9129097 MKMHNYNKHRAQNS-UHFFFAOYSA-N 448.450 5.469 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1NC(=O)C(C)C 9189825 AMHYKNPNLPVOHC-UHFFFAOYSA-N 447.318 6.109 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 9447413 LENTWWHCTWPMLM-QHCPKHFHSA-N 428.488 5.579 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3cccc(Cl)c3)o2)cc1 9469048 JUHQLJKLRSISNY-HNNXBMFYSA-N 444.988 5.206 0 40 IKAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 9495522 YMIHNENYYYZRHG-FQEVSTJZSA-N 441.000 5.635 0 40 IKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cccc(Br)c1 9584132 OYTPJSFUKQLMFA-UHFFFAOYSA-N 438.397 5.157 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2[nH]1 9601565 KIFYAGDXIMZVPS-UHFFFAOYSA-N 438.339 6.529 0 40 IKAB CCCC(CCC)C(=O)Nc1cc(C)nn1-c1ncnc2c1cnn2-c1ccc(C)c(C)c1 9661280 HTWPHVNIJQVCSY-UHFFFAOYSA-N 445.571 5.081 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccc2)cc1 9679160 XIIJYTCJAOJPJO-QHCPKHFHSA-N 444.332 5.897 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1cccc(F)c1 9983788 RQYCXKYXXLMNRL-UHFFFAOYSA-N 430.574 5.306 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc12 10285257 GRXAENSSTHGAFC-AWEZNQCLSA-N 441.906 5.522 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10337486 KQBAEHHPEAFKOI-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB COC(=O)c1occc1CSc1nnc(-c2cccnc2)n1-c1ccccc1C(C)C 12527311 PKVMFVBEGAZTMD-UHFFFAOYSA-N 434.521 5.125 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3cccnc3)nc3c2cnn3Cc2cccs2)c1 12543132 YUXBSSKLPVFAPL-UHFFFAOYSA-N 425.517 5.164 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccc(Cl)cc3Cl)c12 12760389 ZTJUQSNZTUTCKK-UHFFFAOYSA-N 429.307 5.116 0 40 IKAB CC(=O)c1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 13120053 JOHOLNRZSAFDDQ-OAQYLSRUSA-N 430.485 5.004 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)[C@@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 13140048 ZIEVHIDFSZVYFJ-VWLOTQADSA-N 436.621 5.136 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O 13714858 KVYGGBURMSGEET-QFIPXVFZSA-N 442.968 5.190 0 40 IKAB COc1ccccc1NC(=O)c1sc2nc(-c3cccs3)c3c(c2c1N)CCCC3 13896835 VOYXRICKKQAERG-UHFFFAOYSA-N 435.574 5.747 0 40 IKAB Cc1cccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)c1 13960724 HFAKEIQVSUIBIS-UHFFFAOYSA-N 439.303 6.615 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14272947 YEBZNOAEDILIQJ-UHFFFAOYSA-N 447.962 6.636 0 40 IKAB COc1ccc(-c2nc(C)c(CCNC(=O)c3cccc4ccccc34)s2)cc1OC 16991948 FKTWHANIWZBNGC-UHFFFAOYSA-N 432.545 5.261 0 40 IKAB Cc1cc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1C 17095204 ZPIKBDSXFSURNQ-CSKARUKUSA-N 426.925 5.449 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 17099456 PYMAETFDCHALFV-LBPRGKRZSA-N 435.387 5.406 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1 17099521 ZVWIAIQNIAUBBW-UHFFFAOYSA-N 435.483 6.030 0 40 IKAB Cc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 17102640 FKJSNQKYYVGFEG-PNAZTGMHSA-N 438.568 5.033 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cc2ccccc2)cc1 18043517 JBOCLJAKOZVOHS-FZDFQQAASA-N 441.530 5.674 0 40 IKAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 19633469 ZVXFSTRDCNVEAH-INIZCTEOSA-N 441.424 5.013 0 40 IKAB COc1cc(/C=C/c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc(OC)c1OC 19974567 NGZLIDHLUFMVIS-BUHFOSPRSA-N 441.487 5.107 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(C(=O)O)c(Cl)c1 20150894 NANGBPPPQLQXHU-XBXARRHUSA-N 436.678 6.257 0 40 IKAB Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 20285524 RPOLCTDEYDNTSC-QYQHSDTDSA-N 443.446 5.825 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 21580354 QKBXZLUJRVFQCQ-UHFFFAOYSA-N 442.302 5.806 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 24766245 VFUGMQKYJPDDTJ-MRXNPFEDSA-N 434.569 5.812 0 40 IKAB Cc1ccn2c(NC(=O)c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)nc2c1 26687845 UPWVBVXCVJEOFG-UHFFFAOYSA-N 440.728 5.978 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl 32092106 PODLDCDZXYDZOU-MRXNPFEDSA-N 433.270 5.476 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)co2)c(C)c1 32754340 JREMJHHYXBWUAZ-SANMLTNESA-N 425.488 5.079 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5cccc(F)c5)nc4c3)o2)cc1C 33407564 BWZWJCOCXIDFAF-UHFFFAOYSA-N 426.447 6.763 0 40 IKAB CC1=CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1C 33650200 NGFFRJBGMSPDMS-ZJJHUPNDSA-N 426.729 8.025 0 40 IKAB biogenic,in-vitro CC(C)Oc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 36350560 GCUNXFHHCXMPOA-IAPPQJPRSA-N 426.560 6.840 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1)c1ccc(Cl)cc1 39767967 RRIPFVFKDQMFMK-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c3n2)cc1 40484673 MFZUUASFYFANQP-UHFFFAOYSA-N 449.432 5.392 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2ccc(Br)cc2)cc1 40485836 HXVZQFUKISARQE-NRFANRHFSA-N 435.321 5.205 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1 41019108 ZUSHFZOUXFMTDO-UHFFFAOYSA-N 426.900 5.523 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44852877 ACYRJLSYCCFQJS-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB C[C@H]1CCCCN1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 48313817 CURGSKWSCMEMEF-NRFANRHFSA-N 431.580 5.355 0 40 IKAB COc1cc(OC)c(Nc2cc(C(=O)N3CCC(C)CC3)nc3ccccc23)cc1Cl 48986024 JBJIHBNDDUZEBT-UHFFFAOYSA-N 439.943 5.521 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4cccc(OC)c4)no3)c3ccccc3c2=O)cc1 49001822 ZQMUMLSHXZKCME-UHFFFAOYSA-N 439.471 5.115 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)N(C1CCCCC1)C1CCCCC1 59795454 OMJHYFXPYFEAFU-UHFFFAOYSA-N 433.021 5.711 0 40 IKAB Cc1ccc(-n2nc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)c3ccccc3c2=O)cc1 64949638 KRGBJTOBLUBVFK-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72215075 NHHKNAUZSJXDIH-JOCHJYFZSA-N 437.584 5.991 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccccc2OCc2ccccc2Cl)S1 85411774 GJTHFZUCXBAZTR-FQEVSTJZSA-N 427.957 5.876 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O[C@H]2c1ccccc1 100696898 IBONGHOLTHILSV-INYXNEPCSA-N 445.562 6.387 0 40 IKAB Clc1ccc(C2=Nc3ccccc3C(c3ccc(Cl)cc3)=Nc3ccccc32)cc1 101491011 CERNYAMKSNGAMW-UHFFFAOYSA-N 427.334 7.645 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 106687267 GWHWCSBIHFTNEI-ODLFYWEKSA-N 439.876 5.535 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(Cl)c1N1CCCCC1 108025816 XNZGUVUBFPMHCK-UHFFFAOYSA-N 437.765 5.662 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222840235 ULBVPLHCXGRCFU-UXHICEINSA-N 430.499 5.272 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 223848977 IGYPMHGMHNEBBS-DNQXCXABSA-N 444.560 5.024 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)c(OC)c1 224206868 RPJFGBTVMBWJRU-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1C 224275232 CHRCFHZHCZPITJ-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224332323 VWCXERKGBPDSCC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(N2CCCCS2(=O)=O)cc1 224380051 BBIBDKPSIAAVDO-UHFFFAOYSA-N 438.574 5.020 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225254708 VZVRZCXNHTXQDU-QHCPKHFHSA-N 444.616 5.009 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225415144 VGNBMEVJQDASLL-NHCUHLMSSA-N 446.591 5.113 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225525861 HEGJASBOFGROGB-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 225686812 YVWWAAWJCZELBO-HXUWFJFHSA-N 440.603 5.245 0 40 IKAB CC(C)c1nc(COc2cccc(Cl)c2Cl)c(C(=O)O)cc1-c1ccccc1F 257230388 GCCBASIPUKOIBO-UHFFFAOYSA-N 434.294 6.595 0 40 IKAB O=C(N1CCC[C@H](Cc2cnc3ccccc3c2)CC1)C1(c2cccc(F)c2)CCOCC1 257317986 VMAPIDWMEBMTTL-NRFANRHFSA-N 446.566 5.294 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 408647008 QZJRYLMZELPUAX-VIFPVBQESA-N 437.106 5.249 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)c(C)c2)n1 408697226 GHIJGAZYUMSOFT-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408973173 ZMVOXERLKXFNPZ-UHFFFAOYSA-N 425.743 5.446 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 409143217 ZROXCIVVJWNXNR-LTGZKZEYSA-N 435.570 6.408 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cccc(Br)c1 409153720 MUPNJVALWSDYDJ-DHDCSXOGSA-N 442.256 5.704 0 40 IKAB Cc1cccc(C)c1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409183028 RNFXCCKIYRZCJY-SANMLTNESA-N 449.934 5.843 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OCC)c(Br)c2)C1=O 409237383 UEQKXCKWVQKHJS-XYOKQWHBSA-N 449.164 5.057 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3cccnc3)Cc3ccccc32)c1 643563379 TUQJLKAGLMFKLW-UHFFFAOYSA-N 429.564 5.313 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 648734 LHVNHNGNAIWNJB-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB Cn1c2ccccc2c2cc(/C=C(/NC(=O)c3ccccc3)C(=O)N3CCCCC3)ccc21 675767 DBJXSFVUHUXGDL-LYBHJNIJSA-N 437.543 5.115 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cc(C)c3ccccc3n2)sc2c1CCC2 710221 JTOLVEZNRIAMCN-UHFFFAOYSA-N 426.563 5.001 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871451 JIYKTXYTCGJXJS-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 976146 FCOSZIYUBRQYCJ-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB O=C(N1CCN(c2nc3ccccc3s2)CC1)N1c2ccccc2Sc2ccccc21 1365180 ZSGDUBYLTNOIFJ-UHFFFAOYSA-N 444.585 5.841 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc2ccccc12 1789982 ZDDCNOZYIMXEFE-UHFFFAOYSA-N 428.669 6.276 0 40 IKAB CCOc1ccccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1836355 ACKICCFBKJFYJN-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB CCOc1ccc(NC(=S)NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 2111166 GISYJOYSHMNQAJ-UHFFFAOYSA-N 427.529 5.427 0 40 IKAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 2622037 CEHZQNJONRMBJP-SFHVURJKSA-N 441.483 5.825 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 2688453 ZVXPSJZINDBPTQ-UHFFFAOYSA-N 427.435 5.128 0 40 IKAB Cc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714178 PQQLKBSAOQMWOL-UHFFFAOYSA-N 444.460 7.158 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2740588 DAZOEDPDRCZNFZ-UHFFFAOYSA-N 447.288 5.645 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 3069995 UBEWELLQXXQGQZ-UHFFFAOYSA-N 440.446 6.628 0 40 IKAB Cc1ccc([C@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1 3168669 FOGLSFBLUZLLJS-NRFANRHFSA-N 428.757 6.837 0 40 IKAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)ccc1Br 3305274 QRPPBUZGKMWEQT-UHFFFAOYSA-N 444.329 5.858 0 40 IKAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2ccc3c(c2)OCO3)cc1 3421645 ZCHIDLUWXRIZFO-UHFFFAOYSA-N 429.501 5.090 0 40 IKAB CC(C)(C)c1nnc2sc(SCCSc3cc(Cl)ccc3Cl)nn2c1=O 3450869 GXPXCYFSWIAZGN-UHFFFAOYSA-N 447.438 5.035 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 4074095 XGDVSJLOTVQNKY-CCJYTWKCSA-N 440.712 7.446 0 40 IKAB biogenic Cc1c(NC(=S)NC(=O)/C=C/c2ccccc2)cccc1-c1nc2ccccc2s1 4082380 CPPYMZWGGUBTKG-CCEZHUSRSA-N 429.570 5.798 0 40 IKAB O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@@H](Cl)c2ccccc2)cc1C=Cc1ccccc1 4267899 YSMPRUOJLAHKGO-FCHUYYIVSA-N 443.286 6.933 0 40 IKAB biogenic c1ccc(CN(CCCCN(Cc2ccccc2)Cc2ccccc2)Cc2ccccc2)cc1 5464760 OCWIUCRMHBUFRM-UHFFFAOYSA-N 448.654 7.171 0 40 IKAB Oc1ccccc1[C@@H]1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1 5724435 XECDJUHIUDDYCD-QFIPXVFZSA-N 448.570 5.851 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c(C)c1 6195453 QYDAGSKGZRDRNH-UHFFFAOYSA-N 445.588 5.754 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(F)cc1 6297384 MCMGXGICAXIAOH-UHFFFAOYSA-N 437.521 5.238 0 40 IKAB CCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(=O)CC)c1ccccc1-2 8398016 BGXXKNOIHYMSPR-FQEVSTJZSA-N 426.567 5.327 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3ncc(-c4ccccc4)n3Cc3ccco3)o2)c1 8725167 RYKOICDLHXCINQ-GOSISDBHSA-N 442.544 6.403 0 40 IKAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)cc1OC 8791417 MCSNDANVIOXWID-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic Cc1cc(C)c2c(-n3cccc3)c(NC(=O)OCc3ccc(C(C)(C)C)cc3)sc2n1 8857361 DYNVZYCSIHTQRT-UHFFFAOYSA-N 433.577 6.750 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100697 DCFOFKXUIMGUQG-UHFFFAOYSA-N 427.504 5.080 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccc(Cl)c1 9277579 KJSSJXBGXNLPFT-UHFFFAOYSA-N 446.359 5.702 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)n1 9349312 QPKWMDRTTWVNFN-QFIPXVFZSA-N 445.592 5.389 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 9498913 DMEAILFTTFJHSB-UHFFFAOYSA-N 446.576 5.615 0 40 IKAB Cc1nnc(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1Cc1ccccc1 9602875 WLGOJMXGQVDLJT-QFIPXVFZSA-N 432.524 5.246 0 40 IKAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1ccccc1C(F)(F)F 9817645 LJCKPEVQSHSQPK-UHFFFAOYSA-N 433.407 5.122 0 40 IKAB Cc1ccc(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 10110393 UFIBONNJDKSMMQ-MHZLTWQESA-N 444.600 5.132 0 40 IKAB COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2C)cc1O 11865071 LYCHWCJXOUAOBI-UHFFFAOYSA-N 443.503 5.428 0 40 IKAB biogenic CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 12780568 UTWFAHVHRMVGSR-CYBMUJFWSA-N 435.471 5.117 0 40 IKAB CCn1c(SCc2cc(Br)ccc2OC)nnc1-c1cccc(OC)c1 12810768 OWWUGYAMIBZDCT-UHFFFAOYSA-N 434.359 5.037 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCCO2 13098513 LFQVTFRZLJLHCV-QHCPKHFHSA-N 425.912 5.888 0 40 IKAB COc1c(OC)c(-c2c[nH]c3ccccc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12 13373931 LXKDFRJCVQJIIM-UHFFFAOYSA-N 428.488 6.018 0 40 IKAB biogenic Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1 13498266 FADIBWWIESEOCM-VWLOTQADSA-N 432.589 5.432 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 13518275 WCETXBKHCDKONH-HXUWFJFHSA-N 425.488 5.138 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712695 FSLSGNJPHLODCQ-JOCHJYFZSA-N 442.968 5.190 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)cc1)c1ccco1 13941641 PYXBNRCZUSJWKV-UHFFFAOYSA-N 426.428 5.149 0 40 IKAB Cc1nnc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)s1 13956900 YIAKUMHBMAKZHB-UHFFFAOYSA-N 425.311 5.077 0 40 IKAB CCCCCOc1ccc(NC(=O)COc2ccc(C)cc2-n2nc3ccccc3n2)cc1 15022188 IQYPKBBTAFTDNQ-UHFFFAOYSA-N 444.535 5.315 0 40 IKAB Cc1ccc(-c2cc(OC(=O)c3oc4ccc(C)cc4c3C)cc3sc(=O)oc23)cc1 16742483 SERXKEFUDAHNHS-UHFFFAOYSA-N 430.481 6.412 0 40 IKAB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc(Cl)c1O 17085952 KIGVNDDVIMLPAK-BUXKBTBVSA-N 434.989 5.511 0 40 IKAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2C)c1 17121155 WGJCUQKTMWEQMK-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Br 17312613 METMWUXNQIVPMG-GOSISDBHSA-N 447.380 5.607 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 19082053 LNOTYRPWWXFJKM-AREMUKBSSA-N 449.639 5.519 0 40 IKAB COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236835 OMCGVHHFEZRBJQ-BKMJKUGQSA-N 443.591 5.090 0 40 IKAB C[C@H]1CCC[C@H](C)N1c1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)n1 19637814 SBVFXUVZTQWDRG-GJZGRUSLSA-N 443.382 6.433 0 40 IKAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@H]3CCC(C)=C(C)C3)CC2)cc1 19695263 QYYUKMAGRCIJOY-QFIPXVFZSA-N 448.611 5.061 0 40 IKAB CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cccc(OC)c1OC 19841343 VHJPMBFXSFVNMW-UHFFFAOYSA-N 449.547 5.076 0 40 IKAB biogenic CC1=C(C)[C@H](OC2CCN(Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O 20146043 PZOBURSZJVEHCU-SANMLTNESA-N 438.999 5.068 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 20490661 WKXQOTHHEKKYKG-XMMPIXPASA-N 448.588 5.220 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610518 AWUTXRFIRTZZBV-UHFFFAOYSA-N 428.536 5.975 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1Cl 22579401 URXFFKUSDVTJFQ-LBPRGKRZSA-N 441.305 5.001 0 40 IKAB CCc1ccc([C@@H]2C(c3nc4ccccc4s3)=C(O)C(=O)N2c2nnc(C)s2)cc1 27021760 XKTGQHXMMAPHND-GOSISDBHSA-N 434.546 5.076 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3c(Cl)cccc3Cl)n2)c1 27916428 WBIMVQQJGKEDKT-UHFFFAOYSA-N 426.756 5.866 0 40 IKAB CCN(C(=O)COc1ccc(C)c(C)c1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993229 RNRFVLIZZPXXPQ-NDEPHWFRSA-N 442.559 5.810 0 40 IKAB C[C@@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1Cl 31420699 DWDIZUVSTPVRSF-LLVKDONJSA-N 427.378 5.821 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 32111996 CULOMHWSQMTJBE-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB O=C(Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1 33710304 GXSKMCROYUZMOT-MKPDMIMOSA-N 444.578 6.817 0 40 IKAB COc1ccccc1NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 33741718 LPSSWVYWXNMSJI-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB COc1cc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCC3)cc(OC)c1OC 35323928 BLNSHSFKWCBRHN-UHFFFAOYSA-N 449.938 5.621 0 40 IKAB O=C(Cc1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38488450 XGGIMXWWMCVPOV-UHFFFAOYSA-N 445.588 5.158 0 40 IKAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(Cl)cc1 40397429 CMGQEIDDLPDWGE-UHFFFAOYSA-N 449.341 5.629 0 40 IKAB COc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 44088145 IDBGDHOVLUTJIS-UHFFFAOYSA-N 438.499 6.442 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 59500416 GNTDGAJRAGDPMV-VUUXHMSQSA-N 448.349 5.954 0 40 IKAB biogenic CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)nc1-c1ccccc1 72307386 MZZQYPQJNHMXKD-OAQYLSRUSA-N 438.549 5.021 0 40 IKAB O=C1c2nn(-c3ccccc3)c(-c3ccco3)c2[C@H](c2cccc(O)c2)N1c1nccs1 96336166 MBLKOKHCWKWHFK-NRFANRHFSA-N 440.484 5.044 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 169707753 HAQUBYZYPMXCSI-BFZJJYPJSA-N 438.571 6.634 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 222887086 CVOPEAXXMBQIBF-WOJBJXKFSA-N 441.398 5.017 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 223029108 CUUQSHXUJJPSEF-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223035488 RFMGDDXRJDEQTG-GOSISDBHSA-N 434.323 5.168 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 223257702 SYPPUEWMKMNXSM-XMMPIXPASA-N 446.591 5.249 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224661245 YAMQQRMLZIQYRN-HSZRJFAPSA-N 429.004 5.161 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 225711914 NONRTWPAZYVEJU-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)C1 225763390 HURFJMISNISYQY-QGZVFWFLSA-N 438.622 5.315 0 40 IKAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 225817156 YXYISKQORCZQHE-UHFFFAOYSA-N 426.851 5.204 0 40 IKAB Cn1cc(CN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 257234685 GUQPFSROKGEIQM-JOCHJYFZSA-N 429.995 6.197 0 40 IKAB O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 257341999 ZMRIOFPKTLSGHU-WNCULLNHSA-N 432.514 5.270 0 40 IKAB Oc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1Br 326122362 OLCWZAOPTZOEDS-UHFFFAOYSA-N 449.142 6.322 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1F 408559190 XVHZPLNBLPXJQA-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB COCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408567851 SAQKVAUWAFMFMB-RELWKKBWSA-N 448.950 5.286 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1C 408642966 QDHGKOHKIYQVQU-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1ccc(C(=O)C[C@H](c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408680829 HASBOQXCKHNJEZ-HSZRJFAPSA-N 447.383 6.398 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2cccc3ccccc23)cc1 408725353 ODBYAVDFSCEXIS-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1C 408973950 RDZMNCYMZQYORL-AREMUKBSSA-N 430.573 5.372 0 40 IKAB CCOC(=O)N[C@@H](CC(=O)OCC(=O)c1ccc(C2CCCCC2)cc1)c1ccccc1 409002621 ORQIDQJXBUQLRK-QHCPKHFHSA-N 437.536 5.338 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cccc(OC)c3)nnc2-c2ccccc2)cc1 409097028 LJWMAIKXTSGBAR-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccccc1F 409111652 DKNYAYBUVLNFKS-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c2ccccc21 409114854 LQMVIUMEBJOZLV-STZFKDTASA-N 438.354 6.870 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1 409115846 HUDAZTQEUPZMBT-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB CCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c2ccccc21 409122448 YXBRMJRLVXTXCV-UQQQWYQISA-N 435.523 6.335 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409171080 YZPIBSACCQTMFJ-UYRXBGFRSA-N 444.940 5.194 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 409172112 HSVYUHFZQQERCG-ONDHQXCVSA-N 444.940 5.192 0 40 IKAB Cc1ccc(C(=O)OCc2ccccc2)cc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409176532 QIKNANUCZJTLMU-UHFFFAOYSA-N 440.282 5.459 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409243458 YTPDVMYZJQWUDO-OQLLNIDSSA-N 426.719 5.809 0 40 IKAB CC1=C(c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc(N)n2)Sc2ccccc2N1 634436 YXTKZZGPHYAZBU-UHFFFAOYSA-N 444.347 5.524 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)nc2-c2ccccc2)c(Br)c1 648661 FVXKXCMBXMDKAU-UHFFFAOYSA-N 447.336 5.322 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778428 YHILKVLDHROGCU-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-c2ccccc2)cc1 868883 DFQPJJRPKJOQEK-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB COc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 932783 ZTTIYRBWXGQUKK-IBGZPJMESA-N 428.941 5.298 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 969896 UGBBWRMDBUNWAC-BJKOFHAPSA-N 444.897 5.592 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2ccc(C)c(C)c2)cc1 991679 DIDHSCIHQXQGFT-UHFFFAOYSA-N 440.499 5.204 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 1327301 HWOYQACMPQOMIF-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB O=C(c1ccccc1Cl)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359069 WWJKTZONSLGMIW-UHFFFAOYSA-N 438.314 5.073 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381859 DQSCBIIZKWQUIA-HNNXBMFYSA-N 425.315 5.576 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)c(C)oc3c2)cc1 1463817 BTJSWJKVBDRACQ-UHFFFAOYSA-N 443.480 5.606 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)OCc3ccc(Br)cc3)c3ccccc3n2)cc1 2079287 STAWGXTWGYETCI-UHFFFAOYSA-N 448.316 6.030 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)cc1 2093115 LVRHVMYDGRACCI-UHFFFAOYSA-N 438.527 6.338 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(C)c2C)CO4)cc1 2120667 BXIHGMIQVZIKBR-UHFFFAOYSA-N 427.500 5.750 0 40 IKAB biogenic Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1Cl 2371445 IXNDVANBBOLYAS-UHFFFAOYSA-N 430.942 5.198 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2418469 YJXKHCHYMFWOOL-GBXCKJPGSA-N 431.532 5.257 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCCO5)cc1 2691338 WDRQRZXXILSQNW-UHFFFAOYSA-N 435.527 5.893 0 40 IKAB COc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)nc4ccccc34)cc2)cc1 3340098 VVOLLRAULDNZSU-UHFFFAOYSA-N 446.510 6.301 0 40 IKAB C[C@@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 4946192 UTXNYGUZJLLOSP-PQXUGLKDSA-N 430.180 5.134 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 8396117 STORORKACXTVDI-UHFFFAOYSA-N 440.469 5.114 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3F)sc3c2CCCCC3)c(C)c1 8445647 QVYONYIMPPFQOI-UHFFFAOYSA-N 436.552 6.278 0 40 IKAB CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 8763388 OWFUKUGOKNPCTR-JOCHJYFZSA-N 440.634 6.507 0 40 IKAB Cc1cc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 9413009 VZXBYSYMQZWOHT-ZDUSSCGKSA-N 431.949 5.129 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1nc2ccccc2s1 9452324 KWAUSZBUDBOTJE-HXUWFJFHSA-N 444.899 5.806 0 40 IKAB Cc1ccc2nc(CSc3nc4cc(Cl)ccc4n3Cc3ccccc3)cc(=O)n2c1 9468488 COWHZPSPOFBIJB-UHFFFAOYSA-N 446.963 5.347 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3c(F)cc(F)cc3s2)CC1 9543615 GNIVTSFBCKLPEF-UHFFFAOYSA-N 449.526 5.055 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)CCc3ccccc3)nc12 9708985 HIWZBNQSCKXIDF-UHFFFAOYSA-N 437.952 5.519 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc(OC)c1OC 10120156 QEOJRJNCSTVBQX-UHFFFAOYSA-N 446.503 5.896 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 12599741 KJNSHWRAMQNRCS-XPKDYRNWSA-N 443.392 6.369 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2cccc(C)c2)c1 12817465 BHKDGTPAASSGNJ-SFTDATJTSA-N 430.548 5.511 0 40 IKAB CCCn1c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 13114628 KEVHRIMPBZRFQK-GOSISDBHSA-N 443.576 5.536 0 40 IKAB Clc1ccc(-n2nnnc2CSc2nc(C3CCCCC3)nc3ccccc23)cc1 13502523 JLTDAEISDIJDLI-UHFFFAOYSA-N 436.972 5.599 0 40 IKAB COc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 13759452 XJTIZVWYNQJXHT-UHFFFAOYSA-N 440.543 5.681 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4OC)cc3)nc2c1 13946363 IVZUDEAMEHJQEZ-UHFFFAOYSA-N 445.544 5.501 0 40 IKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(Cl)cc1Cl 14069890 CERSPXWJGGCYAK-UHFFFAOYSA-N 443.359 5.673 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)Cc4csc(N5CCCC5=O)n4)cc3)sc2c1 14157453 GKPXRNODNSEBRC-UHFFFAOYSA-N 448.573 5.036 0 40 IKAB CC(=O)N(c1nc(/C=C2\N=C(c3ccccc3C)OC2=O)cs1)c1cccc(C)c1C 14241583 YZHAOILKSZBZCN-NDENLUEZSA-N 431.517 5.097 0 40 IKAB CC1=CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3ccc(Cl)c(F)c3)c3cc(C)cc1c32 14671896 BUEYKRXMUSPBAM-QHCPKHFHSA-N 442.943 5.262 0 40 IKAB COc1ccc(C(=O)Oc2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)cc2)cc1 15947854 VAJRHDYJZWCOPC-PEBXRYMYSA-N 448.544 5.530 0 40 IKAB CCc1ccc(-c2csc(S(=O)(=O)c3nc(-c4ccc(CC)cc4)cs3)n2)cc1 16162083 IONRZSDTTPATMB-UHFFFAOYSA-N 440.615 5.891 0 40 IKAB CCOc1ccc(-n2c(C)nnc2-c2ccc(-c3ccc(-c4ccccc4)cc3)cc2)cc1 16692076 QMLIVWDCPQEQHG-UHFFFAOYSA-N 431.539 6.975 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 19581659 SNFHUXMLVXTTSW-LOSJGSFVSA-N 442.559 5.014 0 40 IKAB C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20386539 USEVJXUDAHBZHA-KHIBUBOWSA-N 430.342 5.150 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 20411275 OUNYGYBKKDUAQU-SAPNQHFASA-N 448.522 7.530 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnc2scc(-c3ccccc3)n2c1=O 20767780 XKLXREKHTDSGOB-UHFFFAOYSA-N 449.841 5.348 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1sc2cc(F)ccc2c1Cl 20836401 PJTSGSBLOZULEE-UHFFFAOYSA-N 435.958 6.090 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCCC4)c(F)c3)o2)cc1Cl 21576298 POKGWTFEFAKNRW-FMIVXFBMSA-N 438.930 6.690 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@H]1c1cccs1 21846233 OIXUERBANZNDMV-KRWDZBQOSA-N 436.562 5.045 0 40 IKAB COCc1c(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)oc2ccccc12 24344329 IHILFYPWNKNMRQ-UHFFFAOYSA-N 430.291 5.383 0 40 IKAB COc1ccc(-c2nc(COC(=O)Cc3c(Cl)cccc3Cl)cs2)c(OC)c1 24829962 ROPPIWWGIYVZRH-UHFFFAOYSA-N 438.332 5.420 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 25277777 BAZQBNARRHRFRD-UHFFFAOYSA-N 436.537 5.629 0 40 IKAB Cc1nc(NC(=O)c2ccccc2SCc2c(C)noc2C)sc1-c1nccn1C 30994148 INCLEGUOFFJVHX-UHFFFAOYSA-N 439.566 5.001 0 40 IKAB Cc1cc(C)c2nc3c(c([C@H](O)[C@@H]4CCCCN4)c2c1)CC/C3=C\c1ccc(Cl)cc1 31761062 RBWRXGUYQAVWHA-PDBAVAOXSA-N 432.995 6.167 0 40 IKAB in-vitro COc1cc2sc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)nc2cc1Cl 32126543 ZJOQWVABMCELIL-UHFFFAOYSA-N 426.350 5.047 0 40 IKAB CC(C)(C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)SC1=S 35039750 UKLSVEDWEMGDCW-ZSOIEALJSA-N 442.345 5.318 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@@H](C)c3ccc(F)cc3)c2)cc1 38755172 DPONEJHGORCLHV-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 39427771 IBAUGCWVSWQYMK-QHCPKHFHSA-N 431.540 5.083 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2nc(-c3cccc(F)c3)cs2)cc1 40058905 PNRFJRNWSWEJRP-UHFFFAOYSA-N 427.501 5.477 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44900272 DZKFKMKQTGNQDO-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 44912118 ZRNBMEQRYSFBLW-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 59056504 YTIJYNWUCAAQMM-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB CCOc1ccc(Cl)c(C(=O)Nc2ccc(S[C@@H](C)CC)cc2C(F)(F)F)n1 60306129 QRVPRXZZWSSKQM-NSHDSACASA-N 432.895 6.295 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1Cl 67294613 TWCDYJQDPYWCMZ-VYIQYICTSA-N 439.298 6.233 0 40 IKAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372625 XKLKALRZHJIZKG-HXUWFJFHSA-N 449.605 5.794 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N1CCC[C@H]1c1ccncc1 84419504 RDMWOZGJLLKASA-IBGZPJMESA-N 426.314 5.151 0 40 IKAB CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 95458917 JROYXEBDYTVEOX-TZIWHRDSSA-N 438.534 5.277 0 40 IKAB Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccc(F)c2)o1 97105806 CYTMUXWOBITLCR-LJQANCHMSA-N 427.273 5.481 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072992 VVZQWHZNWUPVPZ-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB Cc1cc2c(cc1C)N(CC(=O)Nc1cc(F)cc(F)c1)C(=O)CC(c1cccs1)=N2 101947676 YQOSIBBTRFXOPI-UHFFFAOYSA-N 439.487 5.139 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1Br 103718538 GQKJWQYBJLXTDC-LLVKDONJSA-N 442.140 5.056 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OCc1ccccc1 108285779 NMBCIZFJLFRKEA-UHFFFAOYSA-N 444.300 5.818 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222625079 KCVNTJUWVXJTJR-HTAPYJJXSA-N 449.422 5.301 0 40 IKAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768452 CUTZQGCTXNKFLF-FQEVSTJZSA-N 438.999 5.307 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222942184 USUYEQPXHNRXCY-GOSISDBHSA-N 427.570 5.302 0 40 IKAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223065223 LRUCEVUKYNZTLF-MHZLTWQESA-N 442.603 5.176 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223867235 RUZGLHWEGXGXIB-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COc1ccc(C)cc1 224124294 XJILCMHIOSYMHA-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224426801 GUMDQYFYYAYDGZ-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1C(C)C 224570931 ADWOSXCKFZSRBR-UHFFFAOYSA-N 445.603 7.165 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224668361 VTOLRHJRUWAUPI-NRFANRHFSA-N 444.575 5.085 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 225167574 ZKXQYYPCBGCYSK-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)cc1C 225256240 TVGPINZYTHFXMI-FYJGNVAPSA-N 437.590 5.260 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225520995 ARRKCADNIQICDL-XXBNENTESA-N 429.004 5.303 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NCCCSCc1ccccc1Cl 225607257 UHGARQKOYCCRCP-UHFFFAOYSA-N 447.826 5.852 0 40 IKAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)C1 225972674 BMEDTHSBVFUUKJ-QGZVFWFLSA-N 444.048 5.165 0 40 IKAB CCOC(=O)c1cc(-c2ccc3c4c(cccc24)CC3)nc2ccc(Br)cc12 226360607 JEQVIXYJSKRKAS-UHFFFAOYSA-N 432.317 6.093 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCC2)CC1 257223538 DXVJNQHSROIMJV-UHFFFAOYSA-N 438.637 5.235 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@H]4C)cc3)CCCC2)cc1 260812320 AKTIBDRJIIRAAU-OAQYLSRUSA-N 436.596 5.399 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(Cl)ccc1Cl 408627548 OCYYGFOPIYTNAM-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)cc1 408640212 HQIKPGMYDDPGLA-NRFANRHFSA-N 442.559 5.764 0 40 IKAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O 408647740 XJHFXXZQSVGKEK-QFIPXVFZSA-N 436.511 5.932 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(Br)cc2)cc1 408697799 JREYPYUBVWWQET-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(Cl)cc2)cc1 408699824 WKAQXQDVXBIPBO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408976950 HFKNCSKBODDHGC-UHFFFAOYSA-N 449.645 7.031 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 409007010 MNWMGQONIGFAHM-SNVBAGLBSA-N 442.299 5.386 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1Cl 409112634 FSEKFIDGARAORR-HMAPJEAMSA-N 447.962 6.471 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409370858 UUWXJSHWCPYWAI-UHFFFAOYSA-N 432.564 5.949 0 40 IKAB Cc1cnc(Nc2cccc([C@@H]3CCCN(Cc4c(C)nc5c(C)cccn45)C3)n2)s1 585262648 OHNLQDUCCABVGU-LJQANCHMSA-N 432.597 5.234 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)cc2c1 884399 IAXHWELUYHPHFS-UHFFFAOYSA-N 437.565 5.436 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1 900600 FDFCCSIDHZARSB-UHFFFAOYSA-N 428.561 5.341 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1352816 NRZGXYYJQUBPGL-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB Cc1ccc2c(SCC(=O)NCc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc2c1 1367688 NXPCTRAJZIAQPH-UHFFFAOYSA-N 435.499 5.292 0 40 IKAB Cc1c(OCc2c(F)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)cc1Cl 1405179 XPBTYAJUDORYPP-UHFFFAOYSA-N 426.702 5.883 0 40 IKAB CCOC(=O)c1csc(-n2nc(-c3ccc4ccccc4c3)cc2C(F)(F)C(F)F)n1 1415810 YEVJXDMHDLONGV-UHFFFAOYSA-N 449.429 5.683 0 40 IKAB COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1OC 1746690 ZQLIRKHOPMIJPK-FGZHOGPDSA-N 426.310 5.697 0 40 IKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(C(=O)OC2CCCCC2)cc1 1777816 RAWVCEHDXODTDS-UHFFFAOYSA-N 432.520 5.953 0 40 IKAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 1904877 SHSCORBZRCTJEH-JTQLQIEISA-N 426.774 5.073 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 2050892 SJJXATDMDKKLIN-UHFFFAOYSA-N 449.293 7.314 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 2054656 UMHARGQXNAJHLK-NRFANRHFSA-N 449.809 6.676 0 40 IKAB CCCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2222436 PLRGUFQCTKZJTG-UHFFFAOYSA-N 430.617 6.219 0 40 IKAB biogenic CC(C)NC(=O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)NC(=O)c1ccccc1 2319026 CMYGPQTTYWWSHO-ZHZULCJRSA-N 442.437 5.261 0 40 IKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1F 2329273 HFEXQTDRLUZHGK-AREMUKBSSA-N 433.567 6.574 0 40 IKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1 2413774 RGWIIQJIRDMGMD-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2449052 INLJYPKMGZDYJT-UHFFFAOYSA-N 431.967 6.204 0 40 IKAB COc1ccccc1-n1c(SCC(=O)c2cccc(Cl)c2)nc2ccccc2c1=O 2624608 SAQYRRVISPCCTF-UHFFFAOYSA-N 436.920 5.023 0 40 IKAB CCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(OC)c(OC)c1)Nc1ccccc1-2 2746056 JKPXNXPPTYEETD-LJQANCHMSA-N 444.944 5.214 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(C(F)(F)F)cc1 2925018 SCLLLBPFSXMDTH-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1cccc(Cl)c1 3049299 GXNJESVADVQDSO-UHFFFAOYSA-N 439.846 5.539 0 40 IKAB Cc1ccc(SCc2nn(C)c(Cl)c2CSc2cccc(Cl)c2Cl)cc1 3105898 UTQIIOYOCKHPNL-UHFFFAOYSA-N 443.852 7.273 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1C 3291785 XHGMGIZPLHMWGR-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1 3368311 IYBKUNPXULGTDS-UHFFFAOYSA-N 447.556 6.203 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nncs1)c1ccccc1 3405619 IVBWZOMSIZKUPK-AWEZNQCLSA-N 429.876 5.682 0 40 IKAB COc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c(OC)c1 3581695 DELMOHBJVMJPIN-UHFFFAOYSA-N 446.572 5.746 0 40 IKAB Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658703 SWBPTHQEBNDGLD-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3c2C1 4660844 OWOYATZPOINZFQ-GOSISDBHSA-N 425.594 6.392 0 40 IKAB Cc1ccc(NC(=O)NC[C@]2(C)C[C@@H](NC(=O)Nc3ccc(C)cc3)CC(C)(C)C2)cc1 5085429 CSPTYTLNTZSUIM-BKMJKUGQSA-N 436.600 5.832 0 40 IKAB CCS(=O)(=O)c1ccc(-c2csc(-c3ccc(Cl)cc3)n2)c(Cl)c1Cl 8659737 RNPLQYHKEPYJSS-UHFFFAOYSA-N 432.781 6.231 0 40 IKAB aggregator COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 8755678 FMLULCNDCWYSDT-LJQANCHMSA-N 445.950 5.576 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1Cc1ccc(F)cc1 8861123 MBQLTVCXHCFTGH-UHFFFAOYSA-N 435.524 5.241 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1OC 8903827 CNEJKQQJJRWCHI-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 9065405 LISUREDJGUCUNG-WZJCLXMASA-N 439.640 5.677 0 40 IKAB COc1ccc(-c2csc(-c3cc4cc(Cl)cc(Cl)c4oc3=O)n2)c(OC)c1 9307943 GBQDYNULLBEFKJ-UHFFFAOYSA-N 434.300 5.908 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2Cl)n(C[C@H]2CCCO2)c1C 9410646 SSKZHIBDYSYRJI-QGZVFWFLSA-N 448.954 5.733 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)nc2ccccc12 9492059 YZMKUJIBHMJTPK-UHFFFAOYSA-N 443.576 5.259 0 40 IKAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCc2sccc2[C@H]1c1cccs1 9578966 KIOKQGVBPFVCFA-KDLSMAQYSA-N 431.586 5.242 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc5c(cc4c32)OCCO5)cc1C 9675962 COOQDHOONNDUEF-UHFFFAOYSA-N 425.463 5.768 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)cc1 9752527 PBCPKLWBJJEXIV-UHFFFAOYSA-N 447.560 5.551 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCSc2ccccc21 9815060 BGROETGQKYQWOW-QFIPXVFZSA-N 441.556 5.515 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9823736 ZSBOSMQHLSKLJI-UHFFFAOYSA-N 435.578 5.417 0 40 IKAB O=C(Nc1ccc(-c2nc(CN3CCOCC3)cs2)cc1)c1cc2ccccc2s1 12360316 VRVWFCSYRNIMGZ-UHFFFAOYSA-N 435.574 5.109 0 40 IKAB COc1ccc(N[C@@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 12525001 BUVMBNMUISMHFH-HSZRJFAPSA-N 429.545 5.919 0 40 IKAB CC(=O)c1ccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)cc1 12632285 YEGVRVMZYPBKMW-OAQYLSRUSA-N 427.460 5.018 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3Cl)c(=O)[nH]c2c1 12644426 GNLHRRFGGRDYPV-UHFFFAOYSA-N 448.925 5.780 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C(=O)N2 12788454 BMHWKUAPMWADPG-JOCHJYFZSA-N 448.448 6.341 0 40 IKAB O=C(CCCc1cccs1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12814777 OZMVWVFRYIMMFX-OAQYLSRUSA-N 443.494 5.872 0 40 IKAB COc1ccc2nc(/C=C/c3csc(N(C(C)=O)c4c(C)cccc4C)n3)sc2c1 13002249 JVNCRQTWNNVKTO-DHZHZOJOSA-N 435.574 6.233 0 40 IKAB Cc1cccc2cc([C@@H]3CC(c4ccccc4)=NN3C(=O)CCCC(=O)O)c(Cl)nc12 13028364 SETOESGDSSOKBN-FQEVSTJZSA-N 435.911 5.129 0 40 IKAB Cc1cc(C)cc(C(=O)N(c2ccc(Cl)c(Cl)c2)c2nc3ccccc3s2)c1 13062967 VDJJVRXWXYJJHG-UHFFFAOYSA-N 427.356 7.198 0 40 IKAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13063838 FMDVLGNSTQQKMI-XMMPIXPASA-N 448.615 5.224 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 13134502 KLVJMRKGSIKZHO-UHPIZROJSA-N 445.522 6.277 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 13942493 OIIDYAJILYHOFN-DCFHFQCYSA-N 438.527 5.568 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2F)cc1OCC 15327090 OOLYDARHZJYLBA-UHFFFAOYSA-N 430.701 5.681 0 40 IKAB CN(C)c1ccc(-c2onc3c2c(=O)n(-c2ccccc2)c(=S)n3-c2ccccc2)cc1 16186522 JRXRYUQFQZTERR-UHFFFAOYSA-N 440.528 5.232 0 40 IKAB Cc1ncc(-c2nc(NC(C)C)cc([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 19287357 HHKFHRZRQPQVRF-SFHVURJKSA-N 427.618 5.015 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1ccc(OCc2ccccc2)cc1 19647145 IZZVJKVYRQRXKX-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1)c1ccco1 20410988 MZPNEYHOKMNZDH-UHFFFAOYSA-N 442.294 5.156 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2)cc1 20488471 AAYCYQPFUZQMEV-RIYZIHGNSA-N 442.515 5.617 0 40 IKAB CSC1=NC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)N=C1c1ccc(C)c(C)c1 20578155 GOPZFKBPELECAC-UHFFFAOYSA-N 441.000 5.545 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671784 QJLPEUWBDVDUMI-OAQYLSRUSA-N 442.588 5.761 0 40 IKAB CC(C)(C)C(=O)NCc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)s1 21984855 WEFWHPGXMQTRGY-UHFFFAOYSA-N 449.985 5.089 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)n1Cc1ccccc1 22000073 WIGISWCDCGLVJG-UHFFFAOYSA-N 448.592 5.436 0 40 IKAB Fc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22035656 PTXQKQPOIKEGBV-MUUNZHRXSA-N 427.567 5.647 0 40 IKAB biogenic CCc1ccccc1N(CC(=O)Nc1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 22275587 MKLBPWZWLINQRW-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCCc3ccccc32)cc1 22521462 ZGCFDZAZRVCXQG-UHFFFAOYSA-N 425.532 5.019 0 40 IKAB COc1ccccc1N[C@@H](c1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770815 YHKWIULYGNIQBU-VWLOTQADSA-N 442.584 6.827 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 27521713 PDORAAMPXMCYMY-UHFFFAOYSA-N 444.712 5.594 0 40 IKAB Cc1nn2c(Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585065 ILSVEJJAMFNUDM-UHFFFAOYSA-N 445.353 7.422 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30945417 ADGOVKLEAGOYRF-CYBMUJFWSA-N 432.178 6.151 0 40 IKAB Cc1c(Cl)cc2c(oc(=O)n2CC(=O)N(C2CCCCC2)C2CCCCC2)c1Cl 30947913 RCCYEKSLRSXJML-UHFFFAOYSA-N 439.383 5.704 0 40 IKAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cnn3c(-c4cccs4)ccnc23)cs1 31782643 QCDNKJIPOBFVDJ-UHFFFAOYSA-N 443.557 5.093 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)cc(Br)c1OCC 34719629 IZGWYFFRXRKFMV-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB Nc1ccc2oc(-c3cc(Br)cc(Br)c3Br)nc2c1 40542349 HJTQZWDMBBFJKG-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(OC)cc2Br)o1 57353800 LLSFHDOCTPPSGD-FNORWQNLSA-N 430.092 5.057 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(C)c1 57426018 LXUZNFLWTAOABE-UHFFFAOYSA-N 429.611 5.160 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1C 57487726 BHWJSOPWBFONOP-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB COc1ccc(CN2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)c(OC)c1 61997688 ZAMDTQYULVCYAI-UHFFFAOYSA-N 443.499 5.138 0 40 IKAB biogenic COc1cccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)c1 69375040 DEGCUSGKNWBFLC-DEOSSOPVSA-N 442.544 5.307 0 40 IKAB COc1ccc2c(c1)c(CN1CCC[C@H]1c1cncc(Nc3ccccn3)n1)cn2C(C)C 72376429 TYMCTQVTBJTHCO-DEOSSOPVSA-N 442.567 5.497 0 40 IKAB Cc1[nH]c([C@@H]2CCCN2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)nc1-c1ccccc1 95408499 PLBQUNFDMQAMCO-NRFANRHFSA-N 429.524 5.103 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 118935122 DUXQZAKZLLLKRV-SUAZTWCESA-N 440.712 8.475 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccccc2Cl)no1 222733357 BTHBVAFIRMARHU-UHFFFAOYSA-N 442.755 5.246 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223094503 QIKPSTZEZSWVKN-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223254799 VDJSQHJUGXXFGM-XMMPIXPASA-N 438.612 5.185 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 223698573 JMMHIJNNQCXIOO-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223768879 XRAJEQVHBITZKQ-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 224177396 WFNDCXAAEIONHN-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC)c1 224253649 JJMXFMADPCCGLJ-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(OC)cc1 224600723 OYNORJAUBXCYAJ-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 224910710 AFYCWGOLORQUGB-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 225079220 NOAXYTKOBLAUAP-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225208122 VCPHSKRAHHPIPB-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225478591 UPWPZHJZJZAJDL-XXBNENTESA-N 445.003 5.221 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 225839740 KVRAMHBNSGBMJQ-FDJRJZQMSA-N 446.547 5.271 0 40 IKAB Cc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 226355701 FDYUBEIPCJDYSJ-UHFFFAOYSA-N 436.533 5.378 0 40 IKAB O=C(O)COc1cc(F)ccc1-c1cc(-c2ccc(F)cc2)n(CCc2ccccc2)n1 257220293 DKHBUUYKTJBBMJ-UHFFFAOYSA-N 434.442 5.201 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 257296131 RBKKBZRZCSMYPK-INIZCTEOSA-N 444.988 5.135 0 40 IKAB O=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1ccc(Cl)cc1 408725140 JMXDPJCTRQPJQJ-MLPAPPSSSA-N 445.121 5.702 0 40 IKAB Cc1cccc(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)O)cc3s2)c1 408750905 TZFBXFPBDFIKRF-MSOLQXFVSA-N 440.590 5.727 0 40 IKAB O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408978505 MOKYRMKUDVWVQI-UHFFFAOYSA-N 438.874 5.626 0 40 IKAB S=C(c1ccc(OCc2ccc(Cl)cc2Cl)cc1)N1CCc2ccccc2C1 409205219 GNEPWZIZLOGZTP-UHFFFAOYSA-N 428.384 6.306 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)c1 409227968 YGXIUWVPVLTVKP-BUVRLJJBSA-N 443.524 5.493 0 40 IKAB COc1cccc(Cc2ccc(C3CCN(Cc4c(C)[nH]c5ccc(F)cc45)CC3)nc2)c1 1848357382 TXBSWQHKKZHWNI-UHFFFAOYSA-N 443.566 5.989 0 40 IKAB Cc1c(C(=O)N2CCC[C@@]3(C[C@@H](Oc4cccc(Cl)c4)CO3)C2)[nH]c2ccc(F)cc12 2037846322 OEUOKUREDVFQBK-NTKDMRAZSA-N 442.918 5.112 0 40 IKAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 646581 ZZYOUNBTUCHNQD-OAHLLOKOSA-N 431.483 5.268 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4Cl)sc3n2)c1 661191 YUORNWWBBIDWOX-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB COc1cc(C(=O)O[C@H](c2ccccc2)c2nccc3ccccc23)cc(OC)c1OC 944831 AJJHWJZAMWDEKK-XMMPIXPASA-N 429.472 5.207 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCC1CCCCC1 2063142 QKMHFLNCPCKKER-UHFFFAOYSA-N 433.664 7.157 0 40 IKAB CCCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2398179 RLJVYTZNUDCFIL-SFHVURJKSA-N 429.568 5.108 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccc(Cl)c(Cl)c3)nc21 2401189 KRWISBLJBSBQGJ-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2447230 GWKLRJNJWFSWGG-UHFFFAOYSA-N 431.580 6.972 0 40 IKAB CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2887734 JCPBUNJEPZDZAU-UHFFFAOYSA-N 433.499 5.927 0 40 IKAB O=S(=O)(Nc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1 3124822 YLMPHNNSZYMATJ-UHFFFAOYSA-N 439.962 6.408 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@]3(c3ccccc3)C2=O)cc1 3146074 RNOHEJPLQGHZGB-BQSKHHFISA-N 441.530 5.713 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1)CCC3 3259661 JIOMNWXGDGOUFN-UHFFFAOYSA-N 439.005 5.941 0 40 IKAB CCN(C(=O)CSc1nnc2cc(C)c3ccccc3n12)c1cccc2ccccc12 3316185 UUMQWOUWSXUKDH-UHFFFAOYSA-N 426.545 5.489 0 40 IKAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(C)(C)C)cc1 3320429 ZSZCAXMPVAEQHD-KRWDZBQOSA-N 443.588 5.793 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3Cl)nc2c1 3770819 GJGBKNDLIDZEQB-UHFFFAOYSA-N 448.950 6.772 0 40 IKAB COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CC[C@@H](c1ccccc1)C2 8455765 CDNLEYLXQKABOY-HXUWFJFHSA-N 433.573 5.769 0 40 IKAB Fc1cccc(Cl)c1Cn1c(-c2cccnc2Cl)nc2cc(Cl)c(Cl)cc21 8733623 GOQBNVNYMYYONO-UHFFFAOYSA-N 441.120 6.899 0 40 IKAB O=C(Oc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 8825164 DMTBYAAIHUVIQV-UHFFFAOYSA-N 449.934 5.377 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)N(CCc2ccccc2)C3=O)c(O)c1 8845772 CDBXDUHKZNIZDK-RUZDIDTESA-N 427.479 5.018 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 8846085 SSVHMPKKCWBHOI-XMMPIXPASA-N 440.499 5.425 0 40 IKAB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3cccs3)c2C1 8934620 NBXPQBJKZFLUAW-INIZCTEOSA-N 446.641 6.989 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 9184209 TUTGGCATWRHPEM-UHFFFAOYSA-N 435.479 6.256 0 40 IKAB biogenic COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)c1 9199037 DIEUDFLAOAYVCR-UHFFFAOYSA-N 447.531 5.403 0 40 IKAB CCc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 9250101 ULHHXDXYYXLWNN-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB Cc1cccc2nc(-c3cccc(Br)c3)c(Nc3ccc4c(c3)OCCO4)n12 9289131 RQZMSLLAZBSAFY-UHFFFAOYSA-N 436.309 5.587 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC=C(c2ccccc2)CC1 9461478 DNKGTRFIQJGZEG-UHFFFAOYSA-N 449.554 5.537 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)NCc1cccs1 9833728 DVUWHSMFJJCLLB-MRXNPFEDSA-N 432.574 5.064 0 40 IKAB COc1ccc(CCNC(=O)c2cc3cc(Oc4cccc(C)c4)ccc3[nH]2)cc1OC 9892511 BKUIVNLMEYCFPW-UHFFFAOYSA-N 430.504 5.258 0 40 IKAB COc1cccc(Nc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(C)cc23)c1 9908782 HRXBEALGQXRROP-UHFFFAOYSA-N 438.936 5.782 0 40 IKAB O=C1c2ccccc2CC[C@@H]1[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 10059611 YINNRXHQONSTFJ-ABYGYWHVSA-N 433.507 5.020 0 40 IKAB Cc1oc(-c2ccccc2)nc1CSc1nc2ccccc2c(=O)n1Cc1ccco1 10392737 LFSCCEZLKOBHFL-UHFFFAOYSA-N 429.501 5.294 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CCN(C(=O)c2cccs2)CC1 11512850 HLBHOHWBZQTESJ-UHFFFAOYSA-N 440.952 5.685 0 40 IKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(C(=O)OC)cc3)cc2oc1=O 11866657 XPPVTZXGMNWUCL-UHFFFAOYSA-N 442.939 6.243 0 40 IKAB CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 12130189 JYIWNOWFQQNUMD-RDGATRHJSA-N 429.907 5.251 0 40 IKAB O=c1c(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)coc2ccccc12 12185767 WKDNCCREVKNOCI-NRFANRHFSA-N 444.487 5.294 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cc(-c3cc4ccccc4oc3=O)ccc2OC)cc1 12296662 CRSYWWUWELZPEN-NTEUORMPSA-N 427.456 5.129 0 40 IKAB biogenic COc1cccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1OC 12344209 SVPAPHYYNSSQOD-HXUWFJFHSA-N 446.334 5.449 0 40 IKAB CCCOc1ccc(C(=O)CCC(=O)N[C@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 12525162 XJNIVJFUUSBGPY-HHHXNRCGSA-N 441.531 5.220 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 12569271 DRYHETIXUDABGI-DEOSSOPVSA-N 442.588 5.495 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2CC)cc1 13871545 FYMDIFJKIFPAMA-GOSISDBHSA-N 438.597 5.348 0 40 IKAB Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1CCc1ccccc1 14200070 NXQXXCFULUJYFZ-UHFFFAOYSA-N 431.609 5.380 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)cc3n2)cc1 14270915 QBCPIKSVJWEFBH-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)CC1 14273667 PAXVWHZDCLLAMK-UHFFFAOYSA-N 444.362 5.648 0 40 IKAB COc1ccc(Br)c([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016859 YDUWLUHIHQNHKP-GHTZIAJQSA-N 441.350 5.762 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2c3c(nc4ccccc24)CCC3)cs1 15222306 DZWFEYCOUFCEJI-UHFFFAOYSA-N 443.528 5.222 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(F)c(F)c4F)cc3)c2O1 15881190 IOTLSUWSVPOGQP-UHFFFAOYSA-N 427.422 5.649 0 40 IKAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2ccc(Cl)cc2)C(=O)OCc2ccccc2)cc1 15944877 BDZHKFGBMINZHA-ULJHMMPZSA-N 447.962 6.152 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 17026270 IQSPXILHAPDQQG-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17099222 VIVGSXLWKKJVCN-UHFFFAOYSA-N 434.879 5.664 0 40 IKAB c1ccc2c(c1)C[C@H](O[C@@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 17185435 HCUKEBCEJKFZER-PSWAGMNNSA-N 438.617 7.900 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 18208524 YAFPRMDPAABEAK-QEFMBMMRSA-N 429.519 6.083 0 40 IKAB Cc1cc2cc(NC(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2n1C 19126235 NZBHLNLECIRTFY-IBGZPJMESA-N 448.567 5.013 0 40 IKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19933525 IAUPWKVHFCBEDU-VWLOTQADSA-N 429.560 6.320 0 40 IKAB Cc1cc(C(=O)N[C@H](CC(C)C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 20041374 YCRDMOJPIUPPDG-XMMPIXPASA-N 436.577 5.313 0 40 IKAB CC[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20456721 AJWBXNVTPBKFMH-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 20528617 PQUZMPSJFKBTHQ-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)c1C 21844616 OVFMAEMXELFLKB-INIZCTEOSA-N 430.624 5.416 0 40 IKAB O=C1CN(C(=O)c2c(F)cccc2Cl)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048052 NMAOJSYGPBMUKO-OAQYLSRUSA-N 447.268 5.456 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1csc(-c2ccsc2)n1 29474068 HRNGKLXNZFDENT-UHFFFAOYSA-N 438.603 5.139 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c2cccnc12 32622596 FWCAXEXJWOTRQX-UHFFFAOYSA-N 425.282 5.703 0 40 IKAB COc1ccc(Cc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)cc1OC 35167720 JWRLUMOHAFLCEH-UHFFFAOYSA-N 443.547 5.086 0 40 IKAB C[C@@H](Nc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1)c1ccccc1 40158547 KDRUOAOPRILAID-MRXNPFEDSA-N 438.453 5.867 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)n2)cc1 46012212 ZTHJHVXJLJBXGH-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cc(C)c(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c(C)c1 46022384 HEOXKEMISUWOFC-UHFFFAOYSA-N 425.623 5.907 0 40 IKAB COc1cccc(NC(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)c1OC 49443602 IQSIIOYMAMIRRA-UHFFFAOYSA-N 441.553 5.006 0 40 IKAB C[C@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl 57322412 UMOXMVJJAGHDMD-GOSISDBHSA-N 428.359 6.241 0 40 IKAB CN(Cc1cccc2ccccc12)C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 58381085 WOBDGHOCHLBLMH-HXUWFJFHSA-N 444.478 5.320 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc4nsnc4c3)cccc2c1Cl 59294060 CRCKTSFNWSATJY-UHFFFAOYSA-N 444.969 5.340 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1 59472904 JGZZDGCPFQCTMT-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 59477584 TZWPWYMXEUHUJF-JQIJEIRASA-N 442.902 6.504 0 40 IKAB COc1ccc(C2=CCN(C(=O)c3cc4c(F)cc(Br)cc4[nH]3)CC2)cc1 65609523 GKSHBPQHQQSBAN-UHFFFAOYSA-N 429.289 5.008 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5ccc(C)c(C)c5)c(=O)c4c3C)n2)c1 67260277 CCIZKRKWYQIHSP-UHFFFAOYSA-N 442.544 5.457 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)c(C)c3s2)n1 72228682 XLPZRUXQLZFHBY-UHFFFAOYSA-N 434.565 5.755 0 40 IKAB O[C@H](COc1ccccc1Cl)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 82086509 RKYVEHDGJYDZAB-SFHVURJKSA-N 427.331 5.374 0 40 IKAB C[C@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)[C@@H]1C[C@H]2CC[C@H]1C2 102137389 MHVWLMHRSSAGAX-RMIALFOJSA-N 441.163 5.512 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102752404 FEXTXOKTCVPOFJ-KMDXXIMOSA-N 444.506 5.174 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 223016019 JFWFHLJIKUAPTQ-HSZRJFAPSA-N 436.939 5.375 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223395269 WULJIOPOBYMBJS-RPWUZVMVSA-N 428.536 5.184 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223736247 BGVPQMWUIVDGPU-DEOSSOPVSA-N 438.612 5.023 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224033745 ZUDHADMVYFZSCN-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224211164 YWCXOCITKIBJBT-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB Cc1cccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 224431845 NUSXZYNVHFODLG-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCCC1 224600109 HNFFKWAMFXJDJS-JWQCQUIFSA-N 446.620 5.888 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3cccc4c3CCCC4)c2)cc1 224860431 FNFALPYLNDSUDD-UHFFFAOYSA-N 441.571 6.111 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)ccc1F 224894591 MHGBXJOEKVPYHW-BJKOFHAPSA-N 443.551 5.200 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1F 224905845 VSDIARPTOXWWRV-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225188243 GPKZQUBNSKZCQR-XMMPIXPASA-N 441.015 5.447 0 40 IKAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225740443 LMZLFWHURLJUAD-CYBMUJFWSA-N 438.822 5.230 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5cccnc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252495773 OZTJWHHQFTUXEG-JBEUYMCYSA-N 439.684 6.175 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257310122 UDTSRYPUAVCRDG-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408622523 QXOXBOWRCVYOIJ-SFHVURJKSA-N 430.935 5.580 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(C)c(C)c2)cc1 408627361 ZOKJTBPSMIVHLH-UHFFFAOYSA-N 442.625 5.036 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1C 408670876 YLMWEOQASFFINC-URFUVCHWSA-N 448.349 5.401 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)n3ncnc3n2)cc1OC 409057395 PGOPVOKADBNUFK-UHFFFAOYSA-N 438.487 5.055 0 40 IKAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409212907 SCLKBOIOEMMCBK-UHFFFAOYSA-N 428.989 5.213 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c(C)c1 409382602 UVUQSQJPDDGDBS-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(-c2cccs2)s1 618256651 VHTFSRNWDKHPLB-OAHLLOKOSA-N 425.497 5.278 0 40 IKAB CC(C)(CC12CC3CC(CC(C3)C1)C2)OC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)O 644163745 WCCIXRYSJDUEOF-NCWDGNTMSA-N 438.568 5.275 0 40 IKAB NC(=O)c1cc(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)ccc1F 681958353 IFQLJMLCOPSCQI-UHFFFAOYSA-N 437.229 5.415 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2sccc2C)n2nc(-c3ccccc3)nc2N1 956261 WTBONVDMCPACTP-FQEVSTJZSA-N 427.533 5.243 0 40 IKAB Cc1[nH]nc(-c2ccc(OCc3ccccc3)c(C)c2O)c1-c1cnn(-c2ccccc2)c1 1184831 XWUAQWUKICAJFO-UHFFFAOYSA-N 436.515 5.831 0 40 IKAB Clc1ccc(CSc2nnc(SCc3ccc(Cl)cc3)c3[nH]cnc23)cc1 1692113 HNCRPRCOGKJGGE-UHFFFAOYSA-N 433.389 6.244 0 40 IKAB Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)C[C@H](C(C)C)OC3 1803611 QKVXERDXEIKVLM-LJQANCHMSA-N 442.650 5.991 0 40 IKAB COc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)cc1 1840935 HTYZCWKOQYHYIN-UHFFFAOYSA-N 437.289 5.810 0 40 IKAB biogenic COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccc(F)cc5)ccc34)c(=O)oc12 2121074 PHMAQZOFJXLYCJ-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB biogenic Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(Cl)c2)cc1 2241076 YWNOXLPNEKMMRJ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 2373377 QIVRVXSEVRRQNM-UHFFFAOYSA-N 445.331 5.263 0 40 IKAB Cc1c(-c2cccc(Br)c2)c(=O)oc2c(Cl)cc(Br)cc12 2529939 YNOYBBAWJPIRAI-UHFFFAOYSA-N 428.507 5.947 0 40 IKAB biogenic O=C(Nc1ccc(F)cc1)[C@H](Sc1ncnc2sc3c(c12)CCCC3)c1ccccc1 2643192 LSYNOQATLMBBRB-OAQYLSRUSA-N 449.576 6.181 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 3011621 AOKRXBYQBKYXIW-ICSRJNTNSA-N 444.457 5.421 0 40 IKAB Cc1ccc(Sc2c(COC(=O)c3ccccc3Cl)c(-c3ccccc3)nn2C)cc1 3135104 QXASQMWTZCLJIY-UHFFFAOYSA-N 448.975 6.557 0 40 IKAB CC(=O)c1ccc(Oc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)cc1 3139313 SKBPWSSDXIMBBL-UHFFFAOYSA-N 445.316 6.568 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccco3)n2-c2ccccc2C(C)C)cc1 3283711 MEIRLYQBVRFABA-UHFFFAOYSA-N 433.533 5.634 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc(-c2ccccc2Br)n[nH]1 3286877 XLWQSPUHGDYYJT-UHFFFAOYSA-N 432.343 5.128 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc(OC(F)F)cc1 3343499 ADTITWWVKSLYLQ-UHFFFAOYSA-N 425.431 5.145 0 40 IKAB O=C(OCc1cccc2ccccc12)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3405712 ALRNUHNPCIWLGW-UHFFFAOYSA-N 429.928 7.127 0 40 IKAB O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl 3655331 RSQRAPVXGUMXCS-UHFFFAOYSA-N 449.890 6.923 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCCCC4)c(N)c23)cc1 6157152 DJJMNOGQHDIBQI-UHFFFAOYSA-N 443.572 5.847 0 40 IKAB CC(C)(C)c1ccc(OCCn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1 6364031 XIQMFUGVDKLTLK-UHFFFAOYSA-N 427.544 6.280 0 40 IKAB COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 6924895 MDMQPGTXAQYNIG-NRFANRHFSA-N 431.750 7.011 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)sc2n1 8450710 ZGZRHULQPVAFQT-FQEVSTJZSA-N 426.545 5.487 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nnc(-c3ccc(F)cc3)o2)cs1 8825759 PKSLJSMMTPISEJ-UHFFFAOYSA-N 440.525 5.114 0 40 IKAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(OC)cc3)cc12 8870352 CQBHUNYFZJGNAQ-UHFFFAOYSA-N 445.537 5.206 0 40 IKAB Cc1ccc(-c2csc(N(C(=O)CSc3nncs3)c3cccc(C)c3)n2)cc1 8896803 DSHZMUAXRHMJFN-UHFFFAOYSA-N 438.603 5.735 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccccc3OC)c2)cc1 8917914 BBJXKPFUBYWUQZ-WEMUOSSPSA-N 429.516 6.365 0 40 IKAB biogenic CCCCOc1ccc(C(=O)N(CCCN(C)C)c2nc3c(OC)cccc3s2)cc1 9151902 OZYGMZGKHXPGSK-UHFFFAOYSA-N 441.597 5.082 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 9155512 WGOSSYBZTGIQMO-UHFFFAOYSA-N 437.956 5.389 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O 9215574 PXFLGXXWXAKJPJ-QFIPXVFZSA-N 439.939 5.424 0 40 IKAB COc1ccccc1C(=O)Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12 9328057 ZZOUJNMDLVLZTD-UHFFFAOYSA-N 437.520 6.343 0 40 IKAB CCc1ccc(OCC(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)cc1 9430718 ZWZQKCBVGRFRSM-UHFFFAOYSA-N 436.485 5.077 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1cc2ccccc2oc1=O 9661709 QLDJLOZUVWCDTD-UHFFFAOYSA-N 441.512 5.529 0 40 IKAB O=C(CCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1ccc2ccccc2c1 9782191 QQRYTZCWUBUKCA-UHFFFAOYSA-N 428.557 5.819 0 40 IKAB CCc1ccc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)n(-c3ccccc3)n2)cc1 10216194 BAHRWKMOETXDLL-UHFFFAOYSA-N 445.548 5.093 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 12196058 RWYHXFGKNALADQ-GMAHTHKFSA-N 436.870 5.508 0 40 IKAB Cc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12447766 WAUHMWKUQMKFPU-SSOJOUAXSA-N 448.975 5.517 0 40 IKAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Oc1ccc2cc(Br)ccc2c1 12782744 YTUOUPOAQCXVMH-UHFFFAOYSA-N 430.323 5.540 0 40 IKAB CCn1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 12797964 DYOUGWARMWEMOF-MRXNPFEDSA-N 449.601 5.289 0 40 IKAB Cc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 12853739 ULYWSYMFBBDPPR-ZDUSSCGKSA-N 437.417 6.686 0 40 IKAB CC[C@@H](C)c1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 13121286 AIPRZFGKVNCZKX-ZHRRBRCNSA-N 431.561 5.028 0 40 IKAB Fc1cc2c(c(Cn3c(-c4cscn4)nc4ccccc43)c1)O[C@@H](c1ccccc1)OC2 13129081 LBRFOELLLLIBJA-VWLOTQADSA-N 443.503 5.955 0 40 IKAB Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN12 13661556 FXDJARUSHYGKCE-XLIONFOSSA-N 429.701 5.938 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC 13768463 IETLLEJSUPDFJV-LVXARBLLSA-N 430.504 5.263 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14411692 VYPKREWYSXBSKS-OAQYLSRUSA-N 447.343 5.613 0 40 IKAB COc1ccc(-c2nc(CNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832710 IGDRGLKCAXWWRE-OAHLLOKOSA-N 430.957 5.173 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 15865325 SFZXAYQIJLTTDE-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 15947585 DIEFXTGMTRFZPK-FPTDNZKUSA-N 438.980 6.534 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)nc2cc1Cl 16284321 WWPIIJXUMKMREP-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1C 16311897 IOHRRUFKGABSJZ-AREMUKBSSA-N 432.995 6.093 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccccc1N1CCCCC1 16450410 VMVZIAFMEVGIRW-PKNBQFBNSA-N 434.392 5.510 0 40 IKAB CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)Oc1cccc2cccnc12 16577184 RTTRUPRDIFRKIG-FZMZJTMJSA-N 425.120 5.044 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 17097843 VXXWMMLLXVOUFC-UHFFFAOYSA-N 432.348 6.005 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)c(Cl)c1 17100896 NYZRVOUTWJVXGO-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB c1ccc(CCCOc2ccc(NCc3ccccc3OCCc3ccccc3)cc2)cc1 19738425 SKTAPAPUQIMKGG-UHFFFAOYSA-N 437.583 6.932 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20111042 XPVNREBNGIRGJM-UHFFFAOYSA-N 444.884 6.564 0 40 IKAB CN1CCc2c(sc3nc(SCCCc4ccccc4)n(-c4ccccc4)c(=O)c23)C1 20358340 HYTDMFLTDRDRNV-UHFFFAOYSA-N 447.629 5.160 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 20549800 JRZRNWYMNJRVQK-JKSUJKDBSA-N 449.956 5.463 0 40 IKAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC(O)=N3)cc1 20746089 BXUXZEIHVYXQJY-KRWDZBQOSA-N 431.279 5.037 0 40 IKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 24459981 ZIYXSUWXWGUQQV-CYBMUJFWSA-N 437.754 6.454 0 40 IKAB CC(C)(C)NC(=O)CC1(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)CCCC1 29222924 XXMNHHPCMAPFJX-UHFFFAOYSA-N 436.556 5.134 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2OCc2ccccc2Cl)S1 35042616 BVYFHJFPHHUKAY-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl 35290471 MWBSLIHDOMHRPC-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CCOc1ccc(NC(=O)CCNC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 41156315 DCKNYWBNHILUPV-UHFFFAOYSA-N 439.515 5.059 0 40 IKAB C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 44950219 OQICVFKHGNCGEO-NSYGIPOTSA-N 434.536 5.091 0 40 IKAB CCNc1cc(-c2ccsc2)nc(C2CCN(C(=O)c3ccccc3OCC)CC2)n1 57774961 GBKZLOUDZOZXMV-UHFFFAOYSA-N 436.581 5.055 0 40 IKAB CCOC(=O)c1c(NC(=O)CN(C)C(c2ccccc2)c2ccccc2)sc2c1CCC2 57884616 JHTDEBVYJRBWRV-UHFFFAOYSA-N 448.588 5.073 0 40 IKAB CC(C)N(CC[C@H](c1ccccc1)c1cc(CO)ccc1OCc1ccccc1)C(C)C 59157975 GVKBRMPULOEHLO-HHHXNRCGSA-N 431.620 6.399 0 40 IKAB O=C(Nc1cc(C(=O)N2CCCSc3ccccc32)ccc1Cl)c1cccs1 60438705 QHCKMZYFCNHNIM-UHFFFAOYSA-N 428.966 5.796 0 40 IKAB CC[C@@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(F)ccc1F 64869614 GQBQGGKLEOGAFN-LJQANCHMSA-N 445.491 5.018 0 40 IKAB CCOc1ccc(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO 72372715 XTDOADFSLXYUBT-QFIPXVFZSA-N 438.597 5.127 0 40 IKAB CCOc1ccc2cc(S(=O)(=O)Oc3c(Cl)cc(Cl)c4cccnc34)ccc2c1 96305710 GUMWYAGGZKLEGK-UHFFFAOYSA-N 448.327 5.861 0 40 IKAB Cc1cc2ccccc2n1CC(=O)NC[C@H]1CC[C@H](c2nnc(-c3ccsc3)o2)CC1 100156413 TUPYQRSJGBRGOI-HDICACEKSA-N 434.565 5.151 0 40 IKAB COCCn1/c(=N/C(=O)c2cccc3ccccc23)sc2cc(Br)ccc21 100872566 STACTLZGKOBUIY-LNVKXUELSA-N 441.350 5.006 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(Cl)c1Cl 102933301 HGTCXHGGZFYUJS-JOCHJYFZSA-N 429.347 6.806 0 40 IKAB Cc1ccc(N[C@@H]2SC=C(c3ccc(Cl)cc3)N2CCCN2CCOCC2)c(C)c1 103206236 MOORLJODRJFZNJ-DEOSSOPVSA-N 444.044 5.422 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OCC 106734520 KNQJGLBIBGGFMM-JAIQZWGSSA-N 449.931 5.903 0 40 IKAB COc1ccc(Br)c(C(=O)N2CCS[C@@H](c3ccccc3Cl)CC2)c1 211146350 KFCJVHUBAFCONV-GOSISDBHSA-N 440.790 5.432 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc(C)c1Cl 218919276 BVGJGEHUXDCYRN-UHFFFAOYSA-N 432.800 5.692 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 223008445 HQXOLZICRGXZTB-QGZVFWFLSA-N 449.422 5.566 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224149340 AOFDPBSCPPWTNN-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224236601 XKWGCGHIEQZVEF-IBGZPJMESA-N 429.004 5.025 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 224420598 JCPHXWOBLDVDGG-SJORKVTESA-N 434.359 5.222 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(C)[nH]3)cc2)cc1 224722951 GOIZKERYDICCTP-JWQCQUIFSA-N 440.572 5.996 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225130643 NOIRLIFGFZIKSI-SANMLTNESA-N 430.592 5.414 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](C)CCc3ccccc3)n2)cc1 225201115 VZRHGRSFMZHTLL-QGZVFWFLSA-N 435.597 5.235 0 40 IKAB COC(=O)c1cc2cc(NC(=S)NCc3ccc(Cl)cc3Cl)ccc2s1 225212585 MYQVKSKFVMHJKY-UHFFFAOYSA-N 425.362 5.481 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225481573 HJAZYLXONVJRML-GBXCKJPGSA-N 438.612 5.085 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225545398 RYBXORSYDVINJJ-UHFFFAOYSA-N 426.576 5.777 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225615460 GCELHTOWCJFGJW-FGZHOGPDSA-N 432.649 5.459 0 40 IKAB S=C(NCc1nc(-c2ccccc2)no1)Nc1ccc(CSc2ccccc2)cc1 225813351 WGVCYHIXLAZQDJ-UHFFFAOYSA-N 432.574 5.516 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)sc1C 257249428 JIHDTKFQODWKOD-QFIPXVFZSA-N 431.565 5.020 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1 257285172 PFYOEIZRGJDPDJ-GOSISDBHSA-N 428.916 5.128 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3cccc(C(F)(F)F)c3)N3CCCC3)no2)cc1 334162267 LNPZPSBHIQEDMY-OAQYLSRUSA-N 443.469 5.236 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 408578859 ZXSNNLSEAUMYPL-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(Cl)c2C)n1 408696702 DROSVXSLKNSRRU-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(Cl)cc1 408698392 NGUPIJMGFXBRSU-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB COc1c(Br)cc(-c2nc(O)c3c(C)c(C)sc3n2)cc1Br 408734117 DDZFGYUBQLIQHV-UHFFFAOYSA-N 444.148 5.214 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccccc2)cc1 408920215 BKZBTTBVJPEZRA-GOSISDBHSA-N 440.590 5.224 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc2ccccc2c1 409019217 VZWQFVISOXZEAM-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 409114633 KPZGXQXBTGILIC-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409176560 RDBGKCMDFPVOPM-YUVBVNQKSA-N 426.604 6.603 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@](O)(C(F)(F)F)[C@@H]2C1 409342371 BQABZZAENBIRHY-STXHMFSFSA-N 430.898 5.564 0 40 IKAB O=C(/C=C\c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 585145841 CJQKVTCNZNGYMR-KPDSRVRSSA-N 432.907 6.362 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 682099 CQPBJKHRXOOFOU-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB CCc1ccccc1NC(=O)COc1ccc2oc(-c3ccc(OC)cc3)cc(=O)c2c1 955678 MUWWXLXICPSZEO-UHFFFAOYSA-N 429.472 5.049 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(C(F)(F)F)cc(-c4cccs4)c3c2N)nc1 1056220 JDVSWUMKHLOYLX-UHFFFAOYSA-N 434.468 5.582 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(-c4ccc(OC)cc4)c(C)oc3c2)cc1 1463877 CMNSHVDASPMSRS-UHFFFAOYSA-N 430.456 5.143 0 40 IKAB biogenic O=C(CNC(=O)c1ccccc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1728362 DNRAMFMTBFHONY-UHFFFAOYSA-N 427.498 5.289 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc2ccccc12 1858240 SLCAFNIDRQXWGR-UHFFFAOYSA-N 443.494 5.586 0 40 IKAB CCCCCCOc1ccc(/C=C/C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1OC 1904505 ZIRYCSXKXMGARR-UKTHLTGXSA-N 436.504 5.688 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccccc3)c3cc(Br)ccc3n2)cc1 2088686 GCWNZMMJEFGBPB-KRWDZBQOSA-N 445.360 6.464 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(COc3ccc4c(c3)CCC4)c2)cc1 2105188 NIBYSXAYAFQTJU-UHFFFAOYSA-N 429.516 5.572 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccccc2Cl)c1 2405342 PNZXQLLFYGEUKE-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB C[C@@H]1CCc2sc(C(=O)OCC(=O)N(CCc3ccccc3)Cc3ccccc3)cc2C1 2660437 BVUQIFBBPBTKMK-HXUWFJFHSA-N 447.600 5.301 0 40 IKAB O=C(Nc1ccc(C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)c1cc(Cl)cc(Cl)c1 2683863 NXYJOFDEHIBKRG-CBKSTNSXSA-N 434.794 7.075 0 40 IKAB COc1ccc2nc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)sc2c1 3229465 MWOYBSQXCLMOHI-UHFFFAOYSA-N 440.977 6.503 0 40 IKAB O=C(c1ccccc1)c1sc(N2CCOCC2)nc1-c1ccc(C2CCCCC2)cc1 3315165 KHMGBKXFWGCDBV-UHFFFAOYSA-N 432.589 5.925 0 40 IKAB CC(C)Cc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 3337419 GDQKZQNRHJTRDZ-SFHVURJKSA-N 425.494 7.062 0 40 IKAB Cc1ccc(NC(=O)Oc2ccc3c(=O)c(-c4c(F)cccc4Cl)c(C)oc3c2)cc1 3367874 WAYOQCAKCXPKJB-UHFFFAOYSA-N 437.854 6.480 0 40 IKAB O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccccc1 3635701 KDCMTSZGCGCAQL-UHFFFAOYSA-N 437.561 5.614 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)NCCc1ccccc1)CC[C@@H](C)C2 8445620 UKPIOCXDFHNXNH-QGZVFWFLSA-N 432.589 5.406 0 40 IKAB C[C@@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@H](C)CN1C(=O)/C=C/c1ccccc1Cl 8456220 PNFOVWBPCOGLDD-XSBOGERCSA-N 443.374 5.168 0 40 IKAB O=C(C[C@H](Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1)c1ccc(Cl)cc1 8773287 OIJFWJJREGHXNP-SANMLTNESA-N 437.926 6.978 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 8790897 KNHKMDWJHCJIQX-FNZWTVRRSA-N 438.527 5.438 0 40 IKAB biogenic CCCCCCOC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 8836547 ISTKSXVUAAZWLN-UHFFFAOYSA-N 436.943 5.855 0 40 IKAB Cc1ccc(-c2csc(N(C(=O)CSc3ncccn3)c3cccc(C)c3)n2)cc1 8896396 LLCXBQBAGJBLJZ-UHFFFAOYSA-N 432.574 5.674 0 40 IKAB CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@H]1N(O)C(=O)Nc1cccc(Cl)c1 8934567 YZYJIQBWKOZQNA-INIZCTEOSA-N 439.965 5.341 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccccc2)cc1 9130208 PVZCLABLYJNPSD-UNMCSNQZSA-N 429.734 6.889 0 40 IKAB COc1ccc(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)c(OC)c1 9130579 JSXXGEJINRBCFG-NHFJDJAPSA-N 447.487 5.375 0 40 IKAB CCOc1cccc2cc(C(=O)N3CCN(c4nc5ccc(Cl)cc5s4)CC3)oc12 9133844 WAYBBSOSJSWJES-UHFFFAOYSA-N 441.940 5.057 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1F 9234304 SBRQDQDNRULXRR-OEAKJJBVSA-N 449.503 5.650 0 40 IKAB CC(=O)c1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 9283920 QFXRHNQFZWMVFL-UHFFFAOYSA-N 438.593 5.463 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1CCc1ccccc1 9355550 ZPKAYISHDATSDZ-LJAQVGFWSA-N 446.525 6.762 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc12 9382289 BISDOBVQOQIZTJ-UHFFFAOYSA-N 446.363 5.484 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(-c3nc4ccccc4s3)o2)c(OC)c1 9477123 NOZLOJMJFOVULS-GOSISDBHSA-N 434.517 5.551 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccc(F)cc1 9497602 IPLPQHOIKADZDD-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB c1csc(Cc2nnc(SCc3coc(-c4cccs4)n3)n2C2CCCCC2)c1 9620592 FEUYUWBZUWASOY-UHFFFAOYSA-N 442.635 6.444 0 40 IKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1NC(=O)c1ccc(Cl)cc1Cl 10059983 AAIXNQOUDRKBQN-UHFFFAOYSA-N 437.710 5.516 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 10433942 PTARBYITEMWJCU-HXUWFJFHSA-N 428.576 6.046 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3cccc(NC(=O)c4ccco4)c3)cs2)cc1 11200894 VEOOCZQWGCBIGD-UHFFFAOYSA-N 447.516 5.057 0 40 IKAB COc1ccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)cc1 11902233 PLLQUJRNDNRWMD-UHFFFAOYSA-N 433.411 5.222 0 40 IKAB CC[C@H](CNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 12610012 LRKBRQJMIYQNSR-LJQANCHMSA-N 446.576 5.238 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1)C(=O)c1ccccn1 13502133 CLRQLFWAMDMZPW-RUZDIDTESA-N 445.538 5.053 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@@H](c1ccccc1)C2)c1ccc(F)cc1 13575998 HXPVJQNXWZYYOY-HXUWFJFHSA-N 439.486 5.686 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cc(Br)ccc2Cl)c1)c1cccs1 13940636 WXMZBCCYNNEBBW-UHFFFAOYSA-N 435.730 5.669 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 14155740 SITRWPGIFGEOEM-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB O=C(c1ccccc1)[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 15227310 UZPDVSAKHDABOA-SHQCIBLASA-N 438.914 6.246 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2C)cc1 15729400 FSKBFEJKSZJOFG-UHFFFAOYSA-N 441.527 6.531 0 40 IKAB biogenic Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cc(Cl)ccc1Cl 16284397 FPICHTOPAGFPQL-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB CCc1ccc(C(=O)Cn2nc(COc3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 16769116 PEJQPSYKLWMGMQ-UHFFFAOYSA-N 443.572 5.736 0 40 IKAB CC(=O)Oc1cc(C)cc2c1[C@@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1C2 17002340 NJDMULFSFVYYPR-LJAPERKMSA-N 438.608 5.908 0 40 IKAB CCOc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)cc(OCC)c1OCC 17206868 SCUHQTZCAJGBLG-UHFFFAOYSA-N 447.944 5.307 0 40 IKAB Cc1cc2cc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2o1 19126551 NBOWNGBZVMPBMW-GOSISDBHSA-N 435.524 5.268 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062123 JQQLYYLWEVMWPN-UHFFFAOYSA-N 434.989 5.028 0 40 IKAB Cc1cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1Cl 20110700 GJDUTJVTDMJUAK-UHFFFAOYSA-N 435.951 6.194 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccccc1)C3 20412264 FABFAEJWUINTGQ-UHFFFAOYSA-N 431.919 5.698 0 40 IKAB Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3ccc(F)cc3)c2n1 21654978 IBBVSHKYMRBGDC-UHFFFAOYSA-N 446.869 5.263 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 22508816 GNKTXNSUMIZCFH-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB O=C(C1CCN(C(=O)[C@H](Sc2ccccc2)c2ccccc2)CC1)N1CCCCCC1 24142265 ZKWZODCLSQHDHT-XMMPIXPASA-N 436.621 5.161 0 40 IKAB NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 27564096 ASHAGPCLJNISKM-MHZLTWQESA-N 431.495 5.019 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3OC)n2CCc2ccccc2)n1 27764394 YTFONJNEFNQUAO-KRWDZBQOSA-N 449.580 5.385 0 40 IKAB Cc1ccccc1-c1nnc(S[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1 28075434 VZXLORRSJMIVQP-LBPRGKRZSA-N 436.518 5.456 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc4ccccc4c3)nc2cc1Cl 32126360 YOELVRDFGVZAEY-UHFFFAOYSA-N 427.938 5.238 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(F)cc1 32127978 LPGOVKANOMATFK-UHFFFAOYSA-N 441.487 5.914 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 32721393 GLFJVCYXOHIFFW-VWLOTQADSA-N 427.544 5.734 0 40 IKAB Cc1nc(CSc2nc3scc(-c4cccs4)c3c(=O)n2-c2ccccc2)no1 32837611 JBQWUENRBPMCSB-UHFFFAOYSA-N 438.559 5.159 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@@H]1c1csc(N(C(C)=O)c2c(C)cccc2C)n1 32891487 BNJGTFDXWGMTRA-QFIPXVFZSA-N 434.565 5.421 0 40 IKAB O=C(COC(=O)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1)Nc1cccnc1Cl 33497248 CTMVDTHIKVEJAL-PDGQHHTCSA-N 445.277 5.250 0 40 IKAB CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 34138846 QHLFBLZCLTWWCE-RDGATRHJSA-N 434.923 5.990 0 40 IKAB COc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 35167738 SGQCHKKOPLESGH-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@H](c1ccccc1)c1ccccn1 36398005 GCDKFZJSJWWUST-HHHXNRCGSA-N 449.558 5.075 0 40 IKAB CCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)NC1=S 39556217 CWIWVIFYRSKIPE-GRSHGNNSSA-N 444.387 5.464 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccc(C)cc2)cc1 44086526 ZSVPDNRKLPXNTC-UHFFFAOYSA-N 435.578 5.047 0 40 IKAB Clc1ccc(C2=C[C@@H](c3ccc4c(c3)OCO4)n3nc(-c4ccccc4)nc3N2)cc1 101514222 SZPXNCQBMQOYSG-FQEVSTJZSA-N 428.879 5.383 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4Cl)C3=C(O)C2)cc1 102475959 ZFZYIBJMDUUYFX-WGDIFIGCSA-N 430.935 6.978 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 106684893 HYWKSHKXROEMHB-HMAPJEAMSA-N 437.948 6.519 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222604865 RUQXSPULNSNIPD-JQAFLVLXSA-N 438.778 5.095 0 40 IKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 222800308 IUIQSQOTFCAZQD-UHFFFAOYSA-N 427.375 5.675 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222979918 IMZDJHMXYAYXHI-LOSJGSFVSA-N 426.589 5.798 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1C(C)C 224231751 GAHHOBCTJWIUDG-UHFFFAOYSA-N 439.939 6.312 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 224461688 SRZJLTSMPMFWJZ-HHHXNRCGSA-N 426.560 6.489 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224845279 WRRAZRGBBDYOTR-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224931544 AFNNOZRXKGHMEB-UHFFFAOYSA-N 428.488 5.841 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc24)CC3)cc1NC(=O)C(C)C 225201734 ODDJMSUPWBRMHZ-UHFFFAOYSA-N 440.590 5.056 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 225612285 SRCURNGNARYWMC-DENIHFKCSA-N 445.003 5.058 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cc2cc3ccccc3nc2s1 226095734 XZHCPBCWSKCBTC-UHFFFAOYSA-N 439.378 6.589 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccccc1 408604195 HRVIABMDQJRELB-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 408622374 PBEPDXSZQOFGHO-QNVNORHNSA-N 425.912 5.210 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 408779615 ZLNSYOFLDXBDNU-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB O=C(NCc1ccccc1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408976671 BPXHYUMJWAUDMR-UHFFFAOYSA-N 442.569 6.409 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(OCC(C)C)c3ccccc23)NC(=S)N1 666669 GARRIDINMJZYFM-DEOSSOPVSA-N 445.588 5.306 0 40 IKAB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccc(Cl)cc1 866336 QYMDUEPPSYWAQJ-UHFFFAOYSA-N 438.774 5.483 0 40 IKAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)Nc1cccc(Cl)c1 877680 ZRBFROSONZDSNH-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB CCN(C(=O)c1cc(OC)c(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1 932761 HVTVQVUYQTVQOP-UHFFFAOYSA-N 432.929 5.156 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](Cc2cc(Cl)cc(Cl)c2O)C(=O)c2ccccc2)cc1 1582528 BGCMQBUGXHYPCK-FQEVSTJZSA-N 449.355 5.275 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 1851162 YQSOKVMRHRGAPR-ZDUSSCGKSA-N 429.973 6.131 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 2054468 GKCZEAWOZPUETJ-FQRUVTKNSA-N 444.550 6.529 0 40 IKAB CCCCc1cc(=O)oc2cc(OC(=O)[C@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 2149529 TYUTUABMUHOAQV-QGZVFWFLSA-N 449.931 5.094 0 40 IKAB biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccc4ccccc24)CCCC3)cc1 2186016 LJMUYCBLCSOJCR-UHFFFAOYSA-N 440.568 6.593 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)cc1Cl 2247944 SVYWJOULZOQAIU-UHFFFAOYSA-N 449.890 5.652 0 40 IKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O 2296040 SRUAMLVYHGPXKN-UHFFFAOYSA-N 428.528 6.639 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1)c1ccc2ccccc2n1 2652048 HSCAIBZTMXDARL-UHFFFAOYSA-N 443.462 5.441 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccc(C)c(C)c3)n2)c(OC)c1 2733485 JVZDWOSAKPBOJM-UHFFFAOYSA-N 444.531 5.858 0 40 IKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 3320232 KOWKIXLERCNEGC-SNVBAGLBSA-N 442.418 6.089 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)c(Cl)c1 3325456 PMDIMDOBTCOCMA-UHFFFAOYSA-N 442.949 5.782 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(C)c1ccccc1 3352055 MXLMCJDYLIFGOG-MRXNPFEDSA-N 441.000 5.857 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)N(Cc1ccccc1)Cc1ccccc1 3382385 OQCNOZDYJDPDDF-UHFFFAOYSA-N 430.598 6.131 0 40 IKAB Fc1ccc(-c2cc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3n2)cc1 3583584 TXNQHRJSEQWGCB-UHFFFAOYSA-N 435.380 6.777 0 40 IKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@@H]4C(Cl)(Cl)[C@@]45CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C 4897056 UFSQBZDHAWVKPF-DGUAWOKISA-N 427.412 5.704 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@@]1(C)[C@H]2CC[C@@H]1[C@@H](C)CCCC(C)C 5276919 VIXDHGDNWWEKMR-FEMYRDQSSA-N 430.632 8.203 0 40 IKAB COc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 6075419 YSELXLBJUXZFIQ-UHFFFAOYSA-N 426.564 5.493 0 40 IKAB C[C@@H](NCc1c(OCc2ccccc2)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 6267292 GCRHWPGUIYJISV-QOHRDKRTSA-N 425.616 7.113 0 40 IKAB Cc1ccccc1NC(=O)c1cc2c(CO)cnc(C)c2o/c1=N\c1ccc(Cl)cc1 8575224 WNUVZIRGRITUST-PNHLSOANSA-N 433.895 5.075 0 40 IKAB COc1cc(CN(Cc2ccco2)C(=O)Nc2ccc(Cl)cc2)cc(OC)c1OC 8917417 RIGYLUDLXQHNQJ-UHFFFAOYSA-N 430.888 5.193 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nc(-c3ccc(C)cc3)n[nH]2)cs1 8966174 AGXCLZUENFQCKB-UHFFFAOYSA-N 435.578 5.522 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 8966397 LHUPIKBICMQCIJ-INIZCTEOSA-N 434.565 5.103 0 40 IKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 9190027 LEGIQMMIBHNQFE-YADARESESA-N 428.532 5.619 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2[C@@H]1c1cccs1 9216775 BIIFYFHAIRBDPX-LJQANCHMSA-N 431.966 5.412 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)cc1F 9354737 SJTOVEYXPIPVSG-UHFFFAOYSA-N 446.128 6.271 0 40 IKAB CCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 9409000 FAQZSRAWSPHUEK-VWLOTQADSA-N 443.503 5.300 0 40 IKAB CCCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 9409261 OQNZMBUWYSZQCM-RUZDIDTESA-N 433.552 5.697 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)N1CCCCCC1 9606593 LFEHKVVFHSWARV-INIZCTEOSA-N 444.988 5.123 0 40 IKAB Clc1ccccc1-c1noc(CSc2nnc(-c3ccco3)n2C2CCCCC2)n1 9669357 IYIHQUWHNHAKGK-UHFFFAOYSA-N 441.944 6.039 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 9724055 TWRNYSADMOKXEC-CVEARBPZSA-N 442.560 5.540 0 40 IKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 9791144 IVBSMZOGHVDGBY-UHFFFAOYSA-N 426.925 5.686 0 40 IKAB CCOc1ccc(CN(CC)C(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1OC 9824103 YOSBVSAKYKAIHW-UHFFFAOYSA-N 438.549 5.070 0 40 IKAB O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccccc3Cl)cc(=O)c2c1 12390170 CYBLHXHJSUEWGI-UHFFFAOYSA-N 429.259 5.326 0 40 IKAB biogenic Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 12461756 FDHDQOMUDWIMJB-NRFANRHFSA-N 425.532 5.253 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 12558999 TWYYEZFPVJUTSA-LJAQVGFWSA-N 446.550 6.916 0 40 IKAB Cc1ccc(N=[P@](c2c(C)nn(-c3ccccc3)c2C)(N(C)C)C(C)(C)C)cc1Cl 12559149 GTPVJSSXTJYDLG-SSEXGKCCSA-N 442.975 6.884 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1cc(C)ccc1C(C)C 12784398 KDASODKLVHMDAH-UHFFFAOYSA-N 441.959 5.639 0 40 IKAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc2ccccc12 12981903 FREXQXSPXGERIZ-OAHLLOKOSA-N 447.516 5.152 0 40 IKAB Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(Br)cc2)cc1 13370217 XHJKCFCQQCIQSY-RCCKNPSSSA-N 435.321 5.167 0 40 IKAB COc1ccc2c(c1)c(-c1csc(NC(=O)CCc3c[nH]c4ccccc34)n1)c(C)n2C 13570185 XQRNLHZAPVVLSB-UHFFFAOYSA-N 444.560 5.671 0 40 IKAB biogenic CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccccc1 13925233 ZBQKOPYRCJKYIH-ZHZULCJRSA-N 447.874 5.302 0 40 IKAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N[C@H](c1ccccc1)c1cccs1 14670854 OFAYBEXHISKISS-SHQCIBLASA-N 426.585 5.527 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc3oc(C)nc3c2)cs1)c1ccccc1F 15598961 KSAMGIWPDPCXRE-CSKARUKUSA-N 436.468 5.068 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 15905958 CJQKVTCNZNGYMR-NHOKYHNRSA-N 432.907 6.362 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195491 OBQJXDSLKOEHNQ-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB COc1ccc(Nc2cc(Nc3ccc(OC)cc3)cc(Nc3ccc(OC)cc3)c2)cc1 16217182 HYTNHQVZXPPKPJ-UHFFFAOYSA-N 441.531 6.943 0 40 IKAB CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 16768336 QIWVGQNMSUPDMA-UHFFFAOYSA-N 425.458 5.080 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 17100889 ZWKBEUOTLSLKFV-UHFFFAOYSA-N 436.924 5.232 0 40 IKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 17312413 GEBSWFFEUBOHOQ-AWEZNQCLSA-N 433.766 6.750 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCc3ccccc32)cc1 20108828 RKXRQXQOCNQREL-UHFFFAOYSA-N 425.301 5.403 0 40 IKAB COc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1-c1ccc(CO)o1 20139587 BAZCDRMVXLENED-UHFFFAOYSA-N 448.327 6.221 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2F)c2ccccc2)c1C 26770810 BGPTYQGNTLXTQQ-XMMPIXPASA-N 430.548 6.958 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(NC(=O)c2ccccc2Br)cc1 27260975 YEVOKVINNPKUDG-UHFFFAOYSA-N 445.316 6.107 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971891 RPZWAHJOUGLHRN-UHFFFAOYSA-N 437.421 5.858 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126390 RHUBOAAEYYUTIA-DTQAZKPQSA-N 449.535 6.174 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2cc(C)ccc2C(C)C)c1 34930869 FKGVFRWSXWSENL-UHFFFAOYSA-N 441.597 5.139 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39773355 SEHVLWIUBJEMHD-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 44937737 LCUJQHZZILIEHY-SSEXGKCCSA-N 446.594 6.073 0 40 IKAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1C 57316296 PEUZAUVMPOQLEP-UHFFFAOYSA-N 443.366 5.130 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3\C(=O)Nc4cc(C(F)(F)F)ccc43)c2c1 59186133 MTQNJAKWTZRQOG-MOSHPQCFSA-N 427.422 6.149 0 40 IKAB CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)cc1 64558215 CDDLAIPGLHXNGI-QHCPKHFHSA-N 447.556 5.197 0 40 IKAB O=C1NCCCC[C@H]1Oc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 69419703 NLGCGNDJQHXFOK-HXUWFJFHSA-N 431.517 5.198 0 40 IKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 71851104 YPGJRPXMYQFLDQ-SFTDATJTSA-N 449.513 5.754 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c(C)c3s2)n1 72228620 NACLSDCHMWYVFX-UHFFFAOYSA-N 445.375 6.275 0 40 IKAB CC(C)(C)S(=O)(=O)[C@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 96120076 JKXFHYLTQWSJTO-KRWDZBQOSA-N 440.392 5.088 0 40 IKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1cccc2ccccc12 106719867 GVTYLFHVUDYNAH-ZDLGFXPLSA-N 430.312 6.089 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 222760883 RRISJSKLUYUJHI-OALUTQOASA-N 428.355 5.015 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 223609873 WLVZPZOIGSMECK-XMMPIXPASA-N 440.653 5.260 0 40 IKAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)ccc1OC 223687725 UCGOTZAGDRDEBI-UHFFFAOYSA-N 447.940 5.513 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223776590 ZEGMSHXXCYKYDM-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cc(C)cc(C)c1C 224280373 QHOOMACBOWLJJY-UHFFFAOYSA-N 432.520 5.410 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1cc(C)cc(C)c1C 224612333 AGZFZAJDARLGDI-UHFFFAOYSA-N 447.531 5.628 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 224847785 BUGFLQGOCWVHMM-MRXNPFEDSA-N 448.941 5.027 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1C 225148326 DYSBIWVSCHSIGF-VXKWHMMOSA-N 436.606 5.286 0 40 IKAB O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCC(Cc2ccccc2)CC1 225578050 YYTLPIDXSWWUIX-UHFFFAOYSA-N 428.979 5.172 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 225611483 RGWQBZOCHNBKQA-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 408537183 ZKGSSJTWEYITIX-UHFFFAOYSA-N 436.515 5.043 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccccc1Cl 408574333 LWKWRCHXGVMCHB-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2c(CC)cccc2CC)C1 408641114 KNYHLWOYUOKNPZ-SFHVURJKSA-N 443.385 5.128 0 40 IKAB O=C(O)[C@H](Sc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 408874020 YRASXNPWQRSFCJ-OAHLLOKOSA-N 445.711 5.527 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccccc4Cl)C(=O)O3)sc2c1Cl 408970801 KMXQKMRMFMTKFR-WQLSENKSSA-N 438.719 6.215 0 40 IKAB CCOc1ccc(NCc2ccc(OS(=O)(=O)c3ccc(C)cc3)c(OCC)c2)cc1 409110457 WGEODFLXTFFTMN-UHFFFAOYSA-N 441.549 5.172 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)C1CCCCC1 673946 AMBGVFFJXMZQSY-OCCSQVGLSA-N 446.926 5.663 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C 725717 CVIRNRVIYGCZGX-UQBPGWFLSA-N 430.523 6.139 0 40 IKAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1cccs1 728052 JNNCYHDETQMUPI-UHFFFAOYSA-N 448.496 5.464 0 40 IKAB biogenic O=C(Nc1cc(NC(=O)c2ccccc2Br)ccc1Cl)c1ccccc1 830112 IXCRXEGBXKXSQL-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 866866 RRBJRSVJBNKOIJ-DGCLKSJQSA-N 445.228 5.696 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1Cl 931549 UHRCEQRQNSWWRV-UHFFFAOYSA-N 447.991 5.889 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Br)o1 1284950 KEGQHYKCUXWDOS-UHFFFAOYSA-N 448.338 5.816 0 40 IKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 1360105 GQBHFKIDJNZATG-SFHVURJKSA-N 445.972 5.082 0 40 IKAB COc1ccccc1C(=O)N(CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 1366515 OUVWPRIRXCXGHS-UHFFFAOYSA-N 440.543 5.039 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 1837309 JQJMUQPBYFANTJ-XPWALMASSA-N 429.318 6.448 0 40 IKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CCCCC2 2062344 FPQAOVBKTWFKRI-UHFFFAOYSA-N 438.980 6.104 0 40 IKAB CCCc1cc(=O)oc2c(C)c(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)ccc12 2149711 NFPFYNADWKUSIF-UHFFFAOYSA-N 433.504 5.124 0 40 IKAB biogenic CCCCCCc1c(C)c2cc(Cl)c(OC(=O)c3cccc(OC)c3)cc2oc1=O 2250974 XMXZLUCJYHXRNB-UHFFFAOYSA-N 428.912 6.105 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2oc3ccccc3c2n1 2442516 QDHFXTGATLFNJI-UHFFFAOYSA-N 432.332 5.976 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)cc1 2450337 RKXYBEAWHSRDFG-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CCOc1ccc(-n2c(SCCOc3cccc(C)c3)nnc2-c2cccnc2)cc1 2625342 OFNXAAAIFKEFHU-UHFFFAOYSA-N 432.549 5.208 0 40 IKAB CC(C)n1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(oc3ccccc32)c1=O 2713507 UVQKGDPSORCTGR-UHFFFAOYSA-N 427.913 5.108 0 40 IKAB CC(C)Cc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 2749957 WDTBKJLHMQBPCQ-UHFFFAOYSA-N 426.994 7.129 0 40 IKAB CCOc1ccc2nc(SCCC(=O)Nc3ccc(Br)cc3)sc2c1 2773742 WDTYIICAECEPNK-UHFFFAOYSA-N 437.384 5.578 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3ccccc3Cl)cc2)cc1 3225021 ZBQWLVQKTUWVES-UHFFFAOYSA-N 440.008 7.551 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cc(-c2ccccc2)nc2ccccc12 3241633 IXFQQLKYAJTFAY-UHFFFAOYSA-N 425.488 6.417 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)C2C[C@H]3CCC[C@H](C2)C3=O)c2ccccc21 3335405 NMWMEYRQVFHDQH-WOJBJXKFSA-N 443.543 5.450 0 40 IKAB CC[C@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C 3361630 WYEUQFSRRVOQQE-ZDUSSCGKSA-N 433.426 5.081 0 40 IKAB Cc1nc(NC(=O)c2ccc(OCCC(C)C)cc2)sc1Cc1ccc2c(c1)OCO2 3422851 BXBAVINSGAFNJT-UHFFFAOYSA-N 438.549 5.448 0 40 IKAB CCCCC[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC 4099983 INXGAHHQCIHNOR-JJILFORISA-N 443.631 6.897 0 40 IKAB COCCCn1c(SCc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 6075542 VZYMZXDEYHTKFK-UHFFFAOYSA-N 430.017 6.225 0 40 IKAB CC(C)c1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)O)cc1 6077047 RXDJZHYVFMLOFP-UHFFFAOYSA-N 431.355 6.067 0 40 IKAB CN(C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2 6878608 NWCXUSQITRHCNT-YBZPJSEDSA-N 448.489 5.177 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1 8613377 XQQHRBRVBRMJES-QFIPXVFZSA-N 440.971 5.669 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c1Cl 8747198 KDZPHPDOUJIMAJ-UHFFFAOYSA-N 433.364 5.491 0 40 IKAB CCCS(=O)(=O)c1c(Nc2ccc(CC)cc2)sc(C(=O)c2ccccc2)c1N 8768558 YUWSTGUIFTUELG-UHFFFAOYSA-N 428.579 5.051 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 8812510 JRNWTAGGWYBVQE-UHFFFAOYSA-N 436.364 6.072 0 40 IKAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 8824294 XLMFOSFNKFHYHY-UHFFFAOYSA-N 447.494 5.478 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(F)c(Cl)c3)cs2)cc1 8852941 VTESBSYFIZWWFA-UHFFFAOYSA-N 449.960 5.156 0 40 IKAB O=C(CSc1nc(O)c2c3c(sc2n1)CCCC3)c1ccc(Br)cc1 8897964 INJGSRFYEBVOAJ-UHFFFAOYSA-N 435.368 5.013 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3F)cc(O)c2C(=O)O1 8918406 JROWYQRXCGGZRG-KQEHZQRSSA-N 426.484 5.592 0 40 IKAB O=C(c1nc2ccccc2s1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9274282 JVVBWXSPHAPYLC-UHFFFAOYSA-N 438.484 5.426 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 9355428 BIOUJXNEKJAQPZ-URAOTHONSA-N 442.562 7.450 0 40 IKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(OCC)c(OCC)c(OCC)c1 9414381 ZKFBTIGLYKIEDV-UHFFFAOYSA-N 441.480 5.058 0 40 IKAB Clc1ccccc1-n1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 9435237 HGXSOSBNMKKXPO-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3c(c2)OCO3)cc1C 9518402 IIHAXEFSSZFQDS-UHFFFAOYSA-N 428.444 5.283 0 40 IKAB CCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607160 IERWAHQQERHIPR-UHFFFAOYSA-N 435.593 6.925 0 40 IKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Sc3nnc(C)n3C)c2c1C 9703141 JBVJBDRHHVOQLB-UHFFFAOYSA-N 448.042 5.842 0 40 IKAB CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccc(Cl)cc1 11063986 NYFSKOWLHVFSDO-UHFFFAOYSA-N 432.336 5.614 0 40 IKAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 12412446 NWNQOAZCDWMOGB-BPUDUMNDSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2Cc2ccccc2)c1 12496331 ZHDGPBNGJNEHBL-LJQANCHMSA-N 428.561 5.421 0 40 IKAB Cc1csc(S[C@@H](C)C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)n1 12530382 VGIYQLRVSLYQNB-VIFPVBQESA-N 430.407 6.001 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1OC 12774416 YLRNMYCGSVPAJG-OAGJVSPASA-N 428.941 5.344 0 40 IKAB CCC[C@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 12782457 ROPHKQDEBAJEJS-LXKVQUBZSA-N 425.476 5.165 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)[nH]c(=O)c12 13039883 CBAUNTPWKXQBIU-GFCCVEGCSA-N 438.424 5.820 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)cc2)n1 13163263 IQFLUJWGPSXWSS-UHFFFAOYSA-N 439.541 5.024 0 40 IKAB COc1cccc(-c2c([C@@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)c1 13942499 NCMPNOIVXFBJOT-NDEPHWFRSA-N 438.571 6.445 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 14093130 GIQQZVUAVDRWDJ-IERDGZPVSA-N 436.581 5.595 0 40 IKAB CC1=CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3ccc(Cl)c(F)c3)c3cc(C)cc1c32 14671897 BUEYKRXMUSPBAM-HSZRJFAPSA-N 442.943 5.262 0 40 IKAB Clc1ccc(-c2cc(-c3nn4c(-c5ccc(Cl)cc5Cl)nnc4s3)n[nH]2)cc1 15079976 DXKUEWVBBHVVOM-UHFFFAOYSA-N 447.738 5.870 0 40 IKAB Fc1ccc(-c2noc([C@@H]3Cc4[nH]cnc4CN3Cc3cc4ccccc4o3)n2)cc1Cl 15707288 WHXZFDIRXYNOLX-FQEVSTJZSA-N 449.873 5.298 0 40 IKAB biogenic,in-vitro CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 15881452 IUWRDKSOLXXGHC-UHFFFAOYSA-N 428.414 5.301 0 40 IKAB c1ccc(Cn2c(SCc3csc(-c4ccccc4)n3)nnc2-c2ccco2)cc1 16035359 OFGLZUBUWPNWHX-UHFFFAOYSA-N 430.558 6.002 0 40 IKAB Brc1ccc(-c2nnn3ncc(-c4ccccc4)c(-c4ccccc4)c23)cc1 16493294 RELVJSCBLIKNEQ-UHFFFAOYSA-N 427.305 5.888 0 40 IKAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 16591641 KGFLCLNPMXKFRV-DNVCBOLYSA-N 426.866 5.303 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)cc1C 17206388 ACRTZBOSNGKZAN-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB Cc1csc2nc(CSc3ccccc3NC(=O)c3ccccc3Cl)cc(=O)n12 20583061 ZSWGJRUNYLNIGE-UHFFFAOYSA-N 441.965 5.262 0 40 IKAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 20671486 ZZVUZXWXGJFOIC-HNNXBMFYSA-N 438.915 5.122 0 40 IKAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 21005932 UQLWOPHKXPFBCE-XMMPIXPASA-N 438.531 5.024 0 40 IKAB Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(Br)cc4c3C)n2)s1 21659729 VMAQFGHXRPAXTA-UHFFFAOYSA-N 434.340 5.644 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)n2)cc1 32624067 AJPIUXZVANLUBT-UHFFFAOYSA-N 429.476 5.452 0 40 IKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c(C)c1 32624103 ZRRSPERUDKAJPN-UHFFFAOYSA-N 430.888 5.292 0 40 IKAB O=C(O)/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(Br)c1 33614184 LFKASNOAFMQDTF-ZZXKWVIFSA-N 446.522 5.542 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1C1CCCC1 57523222 IAVJOBPYGOUOKM-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB C[C@H]1CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2[C@H]1C 71789658 FSLPMRQHCOLESF-AAJMQRDZSA-N 426.729 8.025 0 40 IKAB in-vitro COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2CCCc2ccccc2)nc1C 72345440 QBNFEBHMCPVCOA-XMMPIXPASA-N 444.579 5.206 0 40 IKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)N(C)c1cc(F)ccc1F 84124553 HHPVGJDDSGDUCN-UHFFFAOYSA-N 438.858 5.656 0 40 IKAB COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1F 96308059 XPXNYVIJJBIUGN-UHFFFAOYSA-N 427.273 5.719 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4F)cc3)C2=O)cc1 106704007 MKAIZEIUBUGVGT-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106721310 WEXIBSSWSINTBM-JFENUBAZSA-N 436.360 6.407 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCC(=O)O)[C@@H]3CC[C@@H]2C1 122611935 HZNDGGABZZJKNK-SIKGHVKHSA-N 432.601 5.257 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195532248 UVWGKYLODFTVNF-BIFSNJIPSA-N 434.411 5.800 0 40 IKAB COc1cc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)ccc1OC(C)C 219768018 WZBFRWWTETZQCM-UHFFFAOYSA-N 439.939 5.645 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222920553 ZZIGBFNBIHLSFR-QHCPKHFHSA-N 429.004 5.452 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 223046908 VTILNUCJOHNXJD-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 223055747 URMJIPJBKHHYKH-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223818394 ZBLSUAUZUYLGPU-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)cc(C)c1Br 224244575 HLFLPHNINXEYDM-UHFFFAOYSA-N 425.326 5.069 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224279861 IDNOAPFIAMPXEA-UHFFFAOYSA-N 433.504 5.238 0 40 IKAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2Cl)c1)S(=O)(=O)c1ccccc1 224330093 YEDJROCAXNGDAL-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 224420411 NTHDFYVWSPKIML-SJORKVTESA-N 434.359 5.222 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)C1CCCCC1 224556909 QBTYYURKBPOXMD-UHFFFAOYSA-N 427.353 5.313 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(C)C 224567595 FWJIQPIHXUSBAW-UHFFFAOYSA-N 447.531 5.811 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224632747 ZLCKNJNNYXGOET-DEOSSOPVSA-N 440.653 5.365 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224775303 SMUNAMMFMRUKPD-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)ccc1F 224889261 ALQDPUBNKRYHTN-ROUUACIJSA-N 448.386 5.530 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225132642 PKYROTLLYRIYQF-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225195108 ONWISFNJGCTYFH-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(Br)c(Cl)c1 225288183 ZEGWWWKHNVKYKM-UHFFFAOYSA-N 436.227 5.835 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 225553314 HTVZOKUUQZLKOD-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc(C)c1OCc1ccccc1 225575507 ANLBDHOAYGKOJQ-UHFFFAOYSA-N 433.523 5.708 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC 225684542 HHZRBRNQQGXALB-MRXNPFEDSA-N 429.944 5.754 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225690358 GZFYMCNJEILCIJ-VGOFRKELSA-N 449.422 5.566 0 40 IKAB COCCOc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F 225955997 SMMBJLOEYWOFCH-UHFFFAOYSA-N 443.465 5.675 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cc1 257210974 BWXWPSTUWXMNCV-JOCHJYFZSA-N 448.538 5.241 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1[C@H]2CC[C@H]1CC(Cc1ccc3ccncc3c1)C2 257226288 FJZSXGWICQHBQD-UIOOFZCWSA-N 449.558 5.394 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)CC1)C1(c2ccccc2)CCOCC1 257226990 FNDCOSMDQJZTMT-JOCHJYFZSA-N 428.576 5.154 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257231132 GFKCSOQDXBJYJF-LJQANCHMSA-N 431.923 5.487 0 40 IKAB Cc1nccn1[C@@H]1CCC[C@@H](N(C)Cc2cc(Cl)ccc2OCc2ccccc2)[C@H]1O 257232037 GJEAUQGQHBVRGW-VDKIKQQVSA-N 439.987 5.010 0 40 IKAB COc1ccc(-c2nccc([C@@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)n2)cc1 257314878 UYXZXVQCZDWZTE-DEOSSOPVSA-N 439.519 5.072 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812568 GUZLUUPJMDREOH-QHCPKHFHSA-N 446.676 5.993 0 40 IKAB COc1cccc(C(=S)NCCc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 408577550 TTXOSHKPLRSFQI-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1 408579556 HUOKKNMZYQEDJF-UHFFFAOYSA-N 444.556 6.734 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)Sc1nc2ccccc2[nH]1 408634582 RWHNEQKHNFNUMM-BKUYFWCQSA-N 446.484 5.058 0 40 IKAB CCCCCOC(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408641441 LLMZBKRSHWSDSZ-OAQYLSRUSA-N 444.531 5.178 0 40 IKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408646781 WKFGEVHDAZEQEJ-OAQYLSRUSA-N 428.532 5.650 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c(C)c1 408726788 UUKAZJVSMCXXLK-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CCCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408800583 PYVUZJWWGSMEQR-ANQPRWKQSA-N 435.613 6.529 0 40 IKAB COc1ccccc1/C=C1\N=C(c2sc3cc(Cl)cc(Cl)c3c2Cl)OC1=O 408971457 ORQHUDHQKACKKN-SDQBBNPISA-N 438.719 6.215 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1C 409154194 NYSHMYUSAOVATC-CAOOACKPSA-N 435.332 5.285 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(C)[nH]c4ccccc34)C2=O)cc1Cl 409172422 HRTADPZFCJPFRP-VXLYETTFSA-N 439.924 5.113 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409352536 DEKHUCXCUOCCPU-PNCHPQGNSA-N 438.534 5.899 0 40 IKAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N[C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F 509947717 WTHYKRDJWHTRGN-FUHWJXTLSA-N 431.458 5.063 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccc3c(c2)nc(O)n3C2CCCC2)c1)c1ccccc1 512190574 YTZJWLNIYFASDE-UHFFFAOYSA-N 440.503 5.362 0 40 IKAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3cccc(C(F)(F)F)c3)no2)cc1Cl 1889128307 HELBJFHRFZPULP-UHFFFAOYSA-N 434.805 5.865 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cccc(Br)c1 663241 MKGWUFRTQWIXDX-UHFFFAOYSA-N 426.097 5.972 0 40 IKAB CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 688156 LJQCICPMTOGJIE-DOWAUTBPSA-N 437.539 5.269 0 40 IKAB O=C(NCc1ccc(F)cc1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848726 WEGNDXZVSLGBSZ-UHFFFAOYSA-N 448.807 5.138 0 40 IKAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccccc3Cl)cc2)cc1 959606 NFOQNSMHHSHPKU-XNTDXEJSSA-N 435.907 5.423 0 40 IKAB Cc1cc(=O)oc2c1cc(NC(=O)c1ccccc1)c1occ(OC(=O)c3ccccc3)c12 1065069 ZEOIWRMNCLFVDT-UHFFFAOYSA-N 439.423 5.319 0 40 IKAB biogenic O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1 1320611 DSPFAHSGSOIPEU-HSZRJFAPSA-N 426.299 5.001 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 1326264 XWROPACHOFJTKW-ZDUSSCGKSA-N 427.595 5.172 0 40 IKAB O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1cccc(C(F)(F)F)c1 1400661 XNIQCJFJZXEQQL-UHFFFAOYSA-N 441.478 5.986 0 40 IKAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccc(Br)cc1 1750931 ZEZFYBFOURXXSM-UHFFFAOYSA-N 442.165 6.056 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)c1 2050802 PRZQVRBOOHGWFK-UHFFFAOYSA-N 436.511 7.079 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c2ccccc12 2052026 IAMLQWWZHQAACZ-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB O=C(NC1CCCCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2081423 NUAACHGOHHWNSV-UHFFFAOYSA-N 427.375 7.051 0 40 IKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccccc1 2177235 REIPMRWKLRFYLF-MHZLTWQESA-N 436.511 6.045 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 2313576 LKUYRIYMOODRJC-UHFFFAOYSA-N 435.936 5.929 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)c(Cl)c4)c23)cc1 2366562 ABCOXUYJYKHIOB-UHFFFAOYSA-N 443.956 6.190 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccc(C)cc1 2447098 LHENDKRPGUCUIQ-UHFFFAOYSA-N 444.560 5.797 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 2617424 WHNLJCVAEQCLLL-INIZCTEOSA-N 442.610 5.040 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc(F)c(F)c1 2619844 LBUXBZMXUMNRBG-UHFFFAOYSA-N 433.911 5.967 0 40 IKAB Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)c(C)c1 2679369 WAAUIBNZACSFNH-UHFFFAOYSA-N 427.573 7.040 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(C)c(C)c3)cn(Cc3cccc(F)c3)c2cc1OC 2691231 XNMOHOOZKUNQPM-UHFFFAOYSA-N 445.490 5.054 0 40 IKAB O=C(Nc1cnn(Cc2c(F)cccc2Cl)c1)c1cccc(COCC(F)(F)F)c1 2796266 YSKFTLNKUVVSKZ-UHFFFAOYSA-N 441.812 5.055 0 40 IKAB O=C(Nc1ccc(Oc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1)c1cccs1 3243336 NFCWCRNWWWKVHB-UHFFFAOYSA-N 441.487 6.542 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 3361132 HPFKFFNZTPQCJR-DEOSSOPVSA-N 429.545 5.609 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 3369300 WUMCDZBNSAILST-SFHVURJKSA-N 448.828 5.158 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2c1c(-c1ccccc1)nn2-c1ccccc1 3642158 VWFOVRZHRCQEGD-UHFFFAOYSA-N 449.863 7.427 0 40 IKAB COc1ccc(CNCC[C@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 4027905 IGJZWRNLGLPQPE-SFTDATJTSA-N 427.585 5.181 0 40 IKAB biogenic Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4555225 MYHZZPOMFZRIHU-MUUNZHRXSA-N 427.544 5.236 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 4660849 JJMQQBVJXJKAJY-INIZCTEOSA-N 427.566 5.783 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 8384545 AOUHKBBOYPXIDG-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB CCOC(CCCNCc1cn(-c2ccc(F)cc2)nc1-c1ccc(C)cc1)OCC 8395596 KDKUGVNJQMQPSX-UHFFFAOYSA-N 425.548 5.256 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(F)cc23)cc1 8605049 YINGJTKOPVDVFF-UHFFFAOYSA-N 436.508 5.657 0 40 IKAB C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)c1ccc(F)cc1 8721045 CRQSSISIXUBQTB-QOFKITFHSA-N 444.377 6.678 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(OC)ccc4ccccc24)N3)C1 8919934 TVOSNIIORABCIE-HJPURHCSSA-N 434.605 6.880 0 40 IKAB CC1(C)CCc2c(cc(OCC(=O)c3ccccc3)c3c(-c4ccccc4)cc(=O)oc23)O1 8991213 MLVRLQIBWUAYDQ-UHFFFAOYSA-N 440.495 5.825 0 40 IKAB biogenic O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@@H]1c1nnc2n1CCCCC2 9053850 CVVGQEXQACIEIU-QGZVFWFLSA-N 426.973 5.364 0 40 IKAB CC(C)c1ccccc1-n1c(SCc2cn3ccsc3n2)nc2ccccc2c1=O 9166979 BHBPFPRSZWSLHT-UHFFFAOYSA-N 432.574 5.511 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1cccc(Cl)c1 9404436 SXXVZQGYRCTEDI-UHFFFAOYSA-N 447.947 6.317 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)cc1 9487290 HSSPLOROWGRAFT-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc2n1C 9510741 SZVBSVBSVVBYIK-UHFFFAOYSA-N 436.433 5.785 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)c1 9516709 OYAVSBZRBKQKCH-HHHXNRCGSA-N 427.592 5.369 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)NCCOc1ccc(Cl)cc1 9597134 QODVCQXTUGAKHF-UHFFFAOYSA-N 438.955 5.253 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1Cl 9663621 DJFFHCMIHOKDDF-UHFFFAOYSA-N 447.343 5.637 0 40 IKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccccc2Cl)n1 9908172 BXSWXLVYXDHAOO-UHFFFAOYSA-N 426.954 6.224 0 40 IKAB CC1(C)Cc2ccccc2C(CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)=N1 9972065 GIVATPJPEDACJS-UHFFFAOYSA-N 445.485 6.218 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 12285311 BPLNFIJHCUUQLH-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 12322513 VZOCBXOCWPEFEW-ZGKFYVQTSA-N 443.934 5.655 0 40 IKAB COc1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 12843659 MUIFOLFAAZEOTM-UHFFFAOYSA-N 446.956 5.109 0 40 IKAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 12878272 PEHCMCWBSDAUHC-UHFFFAOYSA-N 429.014 5.291 0 40 IKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 12911077 PQJBIYNTOSOSGM-UHFFFAOYSA-N 438.911 5.525 0 40 IKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)/C=C/c3c(Cl)nc4sccn34)n2)cc1 13134654 HEGUOWKNCIHZHI-XEHSLEBBSA-N 442.997 6.338 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)cc12 13146468 GFXBXUHQSXPYEL-UHFFFAOYSA-N 434.521 5.910 0 40 IKAB C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NC1CCCCCC1 13148552 OJDZHQTVXKMUIM-OAHLLOKOSA-N 441.622 5.112 0 40 IKAB O=C(NCc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccco1)C1=CCCCC1 13148903 SGAIFBWSTJRQMH-UHFFFAOYSA-N 444.531 5.075 0 40 IKAB O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634399 YMLDJIWPBKDZBW-ZDUSSCGKSA-N 426.954 5.044 0 40 IKAB COc1ccc(OC)c(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1 13972391 SBKRXURSYHZHKP-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB Cc1ccc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccc(Cl)cc2Cl)cc1F 14070057 NZDFEZSSVGNQMG-NRFANRHFSA-N 445.321 5.421 0 40 IKAB C[C@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 14671878 KZMXARTWDDEFJL-XMHCIUCPSA-N 446.494 5.271 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 15419379 KUDMRTZOAIYGCI-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl 16576193 GFFCPKBGDUNZCL-DPDSROAVSA-N 440.027 6.622 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 17096366 SFYQHVVSJRTQJY-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccc(Br)c1 17149854 IJSJPLKNOXMDML-UHFFFAOYSA-N 441.350 5.356 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1cccc(Cl)c1 17249535 BZQCYQYGOWTYCQ-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1nc(C)cc1C 19210157 WAYILDHBWGYAAL-UHFFFAOYSA-N 440.591 5.463 0 40 IKAB CC[C@H](C(=O)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1)c1ccccc1 19500530 SPWXQHWMNPFRJQ-QHCPKHFHSA-N 426.564 5.316 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1C 19646485 IYNLVZMIOYAXHF-UHFFFAOYSA-N 447.604 5.547 0 40 IKAB CCN(C(=O)c1snnc1C)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711938 PWWAPANTQKIGKB-GHTZIAJQSA-N 443.519 5.174 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1 19928221 IAPUJPYVBVNXCC-UHFFFAOYSA-N 425.945 5.765 0 40 IKAB COc1ccc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1-c1ccc(CO)o1 20140342 DCQURFYUROWBET-UHFFFAOYSA-N 437.879 5.922 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(O[C@@H](C)CC)c3)sc2c1 20411512 UZJSLVYRFDLTRL-HNNXBMFYSA-N 426.538 5.683 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)Nc4ccccc4)c3c2c1 20996409 UNKXAINLXZTHEE-UHFFFAOYSA-N 440.478 5.428 0 40 IKAB CCOc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3onc(C)c13)O[C@H](C)C2 22320033 IBWCNIONDJCWAD-CQSZACIVSA-N 429.476 5.173 0 40 IKAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 22627446 HCQHBQYRSUVCBI-GOSISDBHSA-N 445.375 5.259 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)c(C)c1 28207126 LDYOHJMQSLVLFC-LJQANCHMSA-N 434.561 5.004 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 28292655 BDDFEYMEIMOAJB-XMMPIXPASA-N 446.591 5.490 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1Cl 32115252 QQCTVXAJONYDOL-UHFFFAOYSA-N 449.240 6.341 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(C)c4)cc3)n2)cc1 32578690 HAPZRSXJCBFVSP-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)c(C)c2c1 32593569 DRCGAJFNZSTDNT-UHFFFAOYSA-N 448.367 5.898 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 39755985 XQASYYAKEHIDAL-UHFFFAOYSA-N 449.275 6.002 0 40 IKAB Cc1ccc(SC(Sc2ccc(C)cc2)=C2N=C(c3ccc(C)cc3)OC2=O)cc1 41154849 UMWHLHMPTMLSFZ-UHFFFAOYSA-N 431.582 6.669 0 40 IKAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccc(C(F)(F)F)c1 48235005 FSHWYWDTNDJWNA-OAQYLSRUSA-N 428.410 5.147 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)cc1C 57488510 AMYZORCUPJLWEZ-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1I)c1ccc(Cl)s1 65565095 JGABQTYZPNFEBV-UHFFFAOYSA-N 431.604 5.277 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCC1 72215620 SDKCYOBGQHVSSS-IBGZPJMESA-N 431.577 5.838 0 40 IKAB Cc1sc(-c2ccco2)nc1C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 72308008 CPQMPDFDNNXMMQ-UHFFFAOYSA-N 449.513 5.034 0 40 IKAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396404 BRIAOLBIMKRZNO-FQEVSTJZSA-N 425.532 6.029 0 40 IKAB CC(=O)N1N=C(c2cccc(C)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 89669313 KNKVAJXABOLFAT-QHCPKHFHSA-N 426.545 5.607 0 40 IKAB CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccccc1OC 95436500 KISBGDCWVGIFRI-URXFXBBRSA-N 447.535 5.069 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1OC 100563709 LVZMIAHNYYARKX-WXFUMESZSA-N 441.354 6.236 0 40 IKAB C[C@@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)[C@@H]1C[C@H]2CC[C@H]1C2 102271453 ZPNRQRGEAVQHPL-REYXVDKWSA-N 441.596 6.084 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 102701916 GTLUFRZIGQDXTO-RUZDIDTESA-N 446.547 5.906 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)c1 106707172 DYVXYHKIYFDDQP-MTJSOVHGSA-N 433.485 5.498 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccc(Cl)cc1 108250422 PJFBCAMGWOXUQO-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/CC(C)C)C1 118923352 CJUZRVVXJPNXNH-XSNLWGEASA-N 426.685 7.736 0 40 IKAB CCOc1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218885112 DIABOXIJICYAGR-UHFFFAOYSA-N 448.401 5.273 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccccc1Oc1ccccc1 218903555 SNJNLNZBAKLLQW-UHFFFAOYSA-N 448.316 6.412 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 223193804 YGDOGGHITRBHSX-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3)c2)cc1 224537304 GQXHCPXKFFMDAX-UHFFFAOYSA-N 431.576 6.876 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1C(C)C 224570195 VAZNKMQQTXMNCJ-UHFFFAOYSA-N 433.548 5.726 0 40 IKAB Cn1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224653902 LYSSFDYSQXZDCT-BJKOFHAPSA-N 426.545 5.390 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 224880622 BOHBYAQHNRFYOK-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCCc3ccc(OC)cc3)o2)cc1 224916461 MREXEDHTUZLQGX-UHFFFAOYSA-N 442.515 5.388 0 40 IKAB CC(C)c1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 225742989 YLCRPGVRFQGNRS-UHFFFAOYSA-N 438.574 5.036 0 40 IKAB Nc1c(C(=O)c2ccc3ccccc3c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173642 TZBXKAPQRIPOFL-UHFFFAOYSA-N 426.463 6.160 0 40 IKAB C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2)C1 257211137 BXQVCLPTNYUJLE-ACHVPNTGSA-N 432.391 6.651 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)c1cccc(Cl)c1 257317626 VKOJOGTXEAKIMN-XKWXGUCDSA-N 432.391 6.448 0 40 IKAB O=C(Nc1cccc(I)c1)c1ccccc1OCc1ccccc1 310318037 XWROQUVFXPIBHV-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB CCOc1ccccc1N(Cc1ccc(Cl)cc1Cl)S(=O)(=O)c1ccccc1 408624354 HCLAFJUVGVHMMN-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc(Br)c1OC(C)C 409016524 DBNCPPHQLYSQAB-SEJMYLSOSA-N 442.375 5.470 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)cc1 409026462 QCQWXZWGSUOXPZ-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Cl)c(Cl)c1 409182416 LXQFVNPNEFDEQD-UHFFFAOYSA-N 442.323 6.310 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409198756 KNHGOSNXLXYXAF-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB S=C(c1cn(CCOc2ccccc2Cl)c2ccccc12)N1CCc2ccccc2C1 409204490 HYWMQZZTAHQFMU-UHFFFAOYSA-N 447.003 6.108 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 409214932 YWPFXUWULBPNIQ-JCMHNJIXSA-N 443.540 6.030 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 409350587 UFDBYHMWVLFFRW-UHFFFAOYSA-N 436.577 5.292 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 409380555 GUQBWBBWPHCTRN-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c1 877860 IKNYEGJJSPZYKY-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 883233 UHDPCDYTVRNNDL-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 907835 FXEJLDARJPYQJD-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)cc1C 925197 BLYQTNHQPZSWTA-UHFFFAOYSA-N 442.588 5.265 0 40 IKAB CCc1c(C)sc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c1C(N)=O 998717 KOVAJVSFUZEBMN-UHFFFAOYSA-N 438.336 5.240 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccco2)c1 1328516 RYTGHKMCKVHOGK-UHFFFAOYSA-N 438.940 5.528 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 1439686 PUNQVLCGWOEWNJ-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB NCC(CCCCC(CN)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1 1717946 OAKBRPQCGMQBQA-UHFFFAOYSA-N 448.654 6.437 0 40 IKAB CCCOC(=O)[C@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775161 VQRSPSZUSHSPMN-IBGZPJMESA-N 444.911 5.966 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccc(-c5cccc(C(F)(F)F)c5)o4)c(=O)n3c2cc1C 2062493 BFWZKQIINRVLMG-JAIQZWGSSA-N 440.446 5.353 0 40 IKAB O=C(c1ccccc1Cl)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 2075362 AWZNDLPVDDDQJZ-RUZDIDTESA-N 432.995 6.876 0 40 IKAB CCn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2241957 DQIVGOYAKCBYEN-UHFFFAOYSA-N 432.907 5.603 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)ccc2C)cc1 2329826 VTSXECXNPSDTAE-UHFFFAOYSA-N 428.532 5.548 0 40 IKAB CCCCCCSc1nc2nc3c(cc2c(=O)n1-c1ccc(C)cc1)COC(C)(C)C3 2335234 YWOSSRUEQLBACW-UHFFFAOYSA-N 437.609 5.613 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Oc3ccccc3)n2C)c1 2627478 IKOCVJKCUNAIID-UHFFFAOYSA-N 446.532 5.014 0 40 IKAB Cc1ccc(-c2nc(NC(=O)[C@H]3COc4ccccc4O3)sc2-c2ccc(C)cc2)cc1 2654420 OFYRWVUBAKHCOL-JOCHJYFZSA-N 442.540 5.872 0 40 IKAB Cc1ccc(C(=O)Nc2nc(C34C[C@H]5C[C@H](CC(c6ccc(C)cc6)(C5)C3)C4)cs2)cc1 2683853 KYZNXPYYTJORFF-LHUUVIGISA-N 442.628 6.802 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cccc(OC(=S)Nc2ccc3ccccc3c2)c1 3079491 KPOBOOBCSRAYNN-UHFFFAOYSA-N 448.547 7.021 0 40 IKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N(Cc1ccccc1)Cc1ccccc1 3210075 RIBOYHGBFRKKCH-UHFFFAOYSA-N 426.368 7.051 0 40 IKAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1 3235655 GLWNCSOQAHMJEA-UHFFFAOYSA-N 429.394 5.222 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1nc2ccccc2s1 3266348 RMBOXFGWGWMZCX-UHFFFAOYSA-N 449.586 5.336 0 40 IKAB Cc1ccc([C@H]2c3c(C)nn(-c4ccccc4C)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 3366178 YEMNVAYACSCOFR-QFIPXVFZSA-N 435.358 6.449 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)C(=O)N(C)c1ccccc1 3374147 WWKDHMZULNNLAO-RTBURBONSA-N 443.572 5.149 0 40 IKAB Clc1ccc(CSc2nn3c(SCc4ccc(Cl)cc4)nnc3s2)cc1 3669077 BEXJKJRPHBXKSZ-UHFFFAOYSA-N 439.418 6.077 0 40 IKAB CCCC1CCC(C2CCC(c3noc(-c4ccc(-c5ccccc5)cc4)n3)CC2)CC1 4577692 NHAXVEBJEMIHHT-UHFFFAOYSA-N 428.620 8.284 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)NC3CCCCC3)C3CCCCC3)cc2c1 4861279 XUMGBRTYESZTIY-UHFFFAOYSA-N 428.020 6.682 0 40 IKAB Cc1nc(C)c(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)s1 8601188 VOEXDZFYXUWETB-UHFFFAOYSA-N 425.366 5.255 0 40 IKAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cccc(F)c3)c2=O)cc1 8603901 DEYVRHUWGKWJGL-UHFFFAOYSA-N 430.504 5.117 0 40 IKAB CC(=O)Nc1ccc(Sc2ncccc2C(=O)Nc2cc(Cl)cc(Cl)c2)cn1 8666262 SPHDSKHTDZMXAT-UHFFFAOYSA-N 433.320 5.145 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)c2nnc(-c3ccccc3)o2)s1 8728407 PWAGPRIPRLOPMF-CYBMUJFWSA-N 425.539 5.584 0 40 IKAB Cc1nc(SCC(=O)Nc2ccccc2C(=O)NC2CCCC2)n(C2CCCC2)c1C 8778031 QGHKUGPIMLNRCE-UHFFFAOYSA-N 440.613 5.018 0 40 IKAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923571 UXAQLWXPNRLOML-MYYSRTQBSA-N 440.326 5.247 0 40 IKAB COc1cccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)c1 9101207 XSPMNTXUBVCFOL-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB Cc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 9129734 IGLAXMPPOQFMPU-JTHBVZDNSA-N 443.761 7.198 0 40 IKAB Fc1ccccc1CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1 9309057 PQUFKCGSZQLFPX-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB O=c1sc2ccccc2n1Cc1nnc(SCc2cccc(F)c2)n1-c1ccccc1 9382820 YISFUGHFHGGUPL-UHFFFAOYSA-N 448.548 5.123 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 9462320 LIEWMCGEEMYSGL-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 9600918 NBAXVZLVEBDJEJ-WIYYLYMNSA-N 425.351 6.061 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(CCc3ccccn3)c2)cc(OCC)c1OCC 9614369 CDDJILQSWCPVFT-UHFFFAOYSA-N 434.536 5.315 0 40 IKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1cccc(-c2nnnn2C2CC2)c1 9678822 GFKBTVGMHMWBTE-UHFFFAOYSA-N 441.560 5.136 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 9882608 QGCGEAYWJLZLFT-LBPRGKRZSA-N 449.001 5.431 0 40 IKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(-c2cccnc2)n1C1CC1 9995210 AMSKRFHHLZZCQX-UHFFFAOYSA-N 437.528 5.335 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c(C)c1 10211444 NZKPAFPTMCZUPS-UHFFFAOYSA-N 443.572 5.350 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Cc2ccncc2)cc1 12058156 FWMDZUQQRLBTCT-UHFFFAOYSA-N 431.717 5.106 0 40 IKAB COc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(OCc4cccc(F)c4)cc2)CC(=O)O3)cc1 12370974 JGRASGBHBUCIIX-JOCHJYFZSA-N 444.462 5.244 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(OC[C@H]3CCCO3)C2=C(N2CCCCC2)C1 12491020 FPHJHUUUCKCBSR-QJWGWKRISA-N 443.528 5.769 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 12600212 PCRHWGSXUURPBT-UHFFFAOYSA-N 443.503 6.579 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccccc1-c1ccccc1 12698808 CBHAFBZYEQVUGY-MRXNPFEDSA-N 434.590 5.254 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12)N1CCCc2ccccc21 12716358 HSNPUDYYFKURJN-UHFFFAOYSA-N 447.510 5.647 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 12886474 QFMXFIRLVNOTIR-FQEVSTJZSA-N 426.925 5.062 0 40 IKAB CC(C)[C@@H](NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)c1cccs1 12917329 VQIHVMGDJJXKTR-OAQYLSRUSA-N 447.622 5.126 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC 12973320 UCHBSORTJGWPLP-MRXNPFEDSA-N 438.524 5.159 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 13117832 IKAJIZCARBXWGJ-UHFFFAOYSA-N 437.547 5.567 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Br)c(C)c3)c3ccccc3n2)cc1 13138062 AAUYCNIXYPWKLT-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB O=C(NC1CCCCC1)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684696 CJXNDVUQMPIBGZ-UHFFFAOYSA-N 428.532 5.580 0 40 IKAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1cc(C(F)(F)F)ccc1Cl 13690679 NFQJJDSVUHNJQT-UHFFFAOYSA-N 425.863 5.029 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CC[C@@H](C(C)(C)CC)C2 13940543 UTDJRPYAIZCFPS-CQSZACIVSA-N 438.659 5.325 0 40 IKAB COc1cc(OC)c(OC)cc1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 14132476 SQTSGHOKRCETQR-WSDLNYQXSA-N 435.501 5.102 0 40 IKAB CCCN(Cc1ccc(OCC)c(OCC)c1)C(=O)Cc1coc2cc(OC)ccc12 14182275 OOOLOMSOYFFYRP-UHFFFAOYSA-N 425.525 5.220 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1OC 16176382 WRQKWKBQJBCBLA-NRFANRHFSA-N 432.495 5.276 0 40 IKAB O[C@H](CNCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 16477431 IZVUKEJVJRCQDH-OAQYLSRUSA-N 446.772 5.505 0 40 IKAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1ccccc1C(F)(F)F 16713053 REVNIJXODSMAPF-YKYHQJSKSA-N 446.450 5.327 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccccc2)cc1 16807904 JZFZGGDAOPJOFA-UHFFFAOYSA-N 435.543 6.802 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2c1 17099263 LLUFEDLTZYSZOI-UHFFFAOYSA-N 434.923 6.744 0 40 IKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)n2)cc1OC 17099430 GMZVQIJTDLKBLV-VMPITWQZSA-N 435.332 5.786 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3C3CCOCC3)n2)c1 19294053 GGTHTNFTQHJAJC-HSZRJFAPSA-N 433.531 5.127 0 40 IKAB Clc1ccc2c(c1)[C@@H](N1CCN(CCCc3ccccc3)CC1)Cc1ccccc1S2 19370901 MEDWDHFXMSTIMQ-VWLOTQADSA-N 449.063 6.339 0 40 IKAB Cc1c(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc2n1C 19371981 RTMRSMKPNRDRKC-UHFFFAOYSA-N 437.587 5.077 0 40 IKAB COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccc(C(C)C)cc4)C[C@H]23)c1 19453270 AEPROQUGUUVWOP-ZONZVBGPSA-N 432.608 5.045 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20045948 OWENXIQHJFTLST-FQEVSTJZSA-N 430.548 5.189 0 40 IKAB CC(C)COc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20347256 UZPLZYCBDDVFEJ-UHFFFAOYSA-N 428.576 5.269 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccccc4)cc3n2)cc1 20611027 ANKNVRVQFXZQPY-UHFFFAOYSA-N 445.592 5.306 0 40 IKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 20612910 BRRVUJQTIYWYPC-UHFFFAOYSA-N 432.611 5.004 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2cc1C 21578865 YJVXOOVSAFHBSN-UHFFFAOYSA-N 434.923 6.399 0 40 IKAB CCc1cc2c(Oc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)ncnc2s1 24058236 KISKOOKXNLBPPH-UHFFFAOYSA-N 425.535 5.155 0 40 IKAB CSc1ccc(CN(C)C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 24627130 RZWZITUWIBVKQQ-OAQYLSRUSA-N 432.589 5.073 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 32114533 IIHNSWRZAMQNSV-UHFFFAOYSA-N 428.488 5.628 0 40 IKAB Cc1cccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)c1 33021937 ZTESFCIAPZJRSK-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)c(Cl)c3)o2)cc1C 33366694 SZHXHNFERVVMFA-UHFFFAOYSA-N 428.897 5.042 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)o2)c1 34869216 POTKKLYQUUBEIJ-UHFFFAOYSA-N 432.343 5.155 0 40 IKAB CC(C)c1cc(-c2nc3ncccn3c2Nc2ccc3c(c2)OCO3)cc(C(C)C)c1O 35615913 SBQKFBGGPYHWTR-UHFFFAOYSA-N 430.508 5.821 0 40 IKAB O=C1N/C(=N/c2ccccc2F)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648104 BOODQQCFEODCTO-YVLHZVERSA-N 433.291 6.284 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1F 40050586 AQIUJDLGCMCNOC-AWEZNQCLSA-N 430.526 5.067 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 40068309 QQPQGJFBYZLOIF-VWLOTQADSA-N 430.479 5.307 0 40 IKAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C=C12 59409622 SDFFXZBPKQGUHN-XVOWXPBNSA-N 441.015 5.005 0 40 IKAB biogenic COc1ccccc1Cc1cccc(C2CCN(Cc3ccc(NC(C)=O)cc3)CC2)n1 72349947 XYVXOLAKVHIMKN-UHFFFAOYSA-N 429.564 5.019 0 40 IKAB Cc1ccc(C(=O)[C@@]2(C)[C@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 100169241 IZLCZMCKMFJVOT-QPVYNBJUSA-N 436.463 5.516 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)cc1 106701229 NUMHLGUSHSJKFP-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 205677362 KTPIJZWGLPPKIM-HYARGMPZSA-N 447.512 5.018 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222785171 RHWILUAUPANSCW-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222940739 IOXJWWBEKOMBTF-YADHBBJMSA-N 425.985 5.932 0 40 IKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCC2 223205805 REXMLKQMXREYAI-OAHLLOKOSA-N 430.386 5.492 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223276088 IROAHZSGEOCRLN-HXUWFJFHSA-N 426.576 5.215 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2C)cc1 224090169 UWZVFDFWFXXPQZ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224309933 KKOXVOQBJJUYAL-RPBOFIJWSA-N 430.621 6.182 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1OC 224577648 XLKVPPZTZXBDMN-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3CN3CCCCC3)cc2)cc1 224808106 BXFPPNGBLZAONU-UHFFFAOYSA-N 444.644 6.203 0 40 IKAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224820487 YDFRBYLMKVQYNX-MHZLTWQESA-N 442.603 5.011 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)ccc1F 224905630 HHHWDTZOQYTANR-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)ccc1C 225061481 PMLFRMYJHQYUDR-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225098053 BCZUPYCMAFAGRE-XMMPIXPASA-N 441.015 5.447 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 225152423 WIODSUGQWAUKIW-IBGZPJMESA-N 442.600 5.174 0 40 IKAB O=C(c1cccc(Cl)c1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225255728 OKKNUNNSDNMJFB-XDHOZWIPSA-N 427.982 5.596 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225612967 WFGVFSYUGSMBDR-KKSFZXQISA-N 435.395 5.258 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226756363 OVBDIJNBTWMUDE-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3[nH]c4ccc(F)cc4c3C)C2)o1 257233355 GOXUISNBNKORQU-SFHVURJKSA-N 447.510 5.223 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CCCCC1 260911652 COWJWFKIRMTNBW-AGILITTLSA-N 438.641 5.157 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1C(=O)NC1CCCCC1 408553442 WJFPKZABQPHPEF-UHFFFAOYSA-N 428.598 5.290 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 408602421 NLCFROZHUDSWRB-RGVLZGJSSA-N 429.925 5.294 0 40 IKAB CN1C(=O)S/C(=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)C1=O 408817276 LCRHKNFLZNZYDV-HKOYGPOVSA-N 436.536 6.477 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1cc(C)ccc1C 408822041 AYUFITPKBRJHIY-UHFFFAOYSA-N 429.383 6.394 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409072613 TYDHNZUNMLTQLL-YVLHZVERSA-N 433.678 6.004 0 40 IKAB CCCc1sc2nc(SCc3cccc(C)c3)n(-c3ccc(F)cc3)c(=O)c2c1C 409117566 PFQNDTFCEUIMEA-UHFFFAOYSA-N 438.593 6.448 0 40 IKAB CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(c2cccc(Cl)c2)C1=O 409149770 QIUAFBGMYXUJID-MRXNPFEDSA-N 440.746 5.312 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)c1 409263318 KJFHIQIFLIHILT-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1nn(CCNC(=O)c2c(-c3ccccc3Cl)noc2C)c(C)c1-c1ccsc1 575614714 CGXVBXGZCYAENT-UHFFFAOYSA-N 440.956 5.275 0 40 IKAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccc(Cl)cn2)cs1)c1cccc(Cl)c1 585294422 FBURIZCZZGNDNT-SFHVURJKSA-N 433.364 5.434 0 40 IKAB Cc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(C)nc3Cl)cs2)cc1 585295331 VNXFOVRCEOQFNQ-IBGZPJMESA-N 426.973 5.398 0 40 IKAB CC(C)N1CC[C@H](c2n[nH]cc2-c2ccnc(NCc3cn(C(C)C)c4ccccc34)c2)C1 607854188 BBCHIWIRKKTNAU-NRFANRHFSA-N 442.611 5.817 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2F)c1C 676492 DYMJZSIPSPIDIO-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB COC(=O)c1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)cc1 956391 RBPKAZMMOUPZPA-OQLLNIDSSA-N 431.488 5.021 0 40 IKAB Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2O)cc1 1223789 BGAJZOFHEQZHEF-UHFFFAOYSA-N 441.516 5.291 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 1223928 MQGYHHLAKIZEQA-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(c1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359058 SWPTVBINTBGWDX-UHFFFAOYSA-N 438.314 5.073 0 40 IKAB Cc1cc2c(ncn2Cc2ccccc2)c(NS(=O)(=O)c2ccc(Cl)cc2)c1C 1385892 YMJKCBAGBIFOSY-UHFFFAOYSA-N 425.941 5.156 0 40 IKAB COc1cc2cc(C(=O)Nc3ccc(C(C)=O)cc3)cc(-c3ccc(C)cc3)c2cc1OC 1464109 IMKZVDRTFBVPOU-UHFFFAOYSA-N 439.511 6.287 0 40 IKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc(C)c2c1 2238376 OEBCDHGAGUYDIO-QGZVFWFLSA-N 427.483 5.086 0 40 IKAB COc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)c1 2246250 SDVMYGBLHXWRBW-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB S=C(NCCCCCNC(=S)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 2757131 CKABQCZDOSDPTC-UHFFFAOYSA-N 441.453 5.437 0 40 IKAB O=C(NCc1ccncc1)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 2783796 HNFGMYXEBNJPCO-UHFFFAOYSA-N 447.688 5.244 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc2c(c1)OCO2 2970061 DIOPZRKGXQRYET-UHFFFAOYSA-N 436.920 5.119 0 40 IKAB O=C1c2ccccc2-c2nn(C(=O)c3cccc(OC(F)(F)C(F)F)c3)c3cccc1c23 3170161 MHDJNMJHYIYJQA-UHFFFAOYSA-N 440.352 5.173 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 3351456 HLOUSBIGPFYJRX-UHFFFAOYSA-N 437.471 5.511 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 5066571 LXYZFYZHIWAOGX-QHCPKHFHSA-N 430.529 5.015 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 6212754 FFZPKBOIZNYVTR-SNOBZRMMSA-N 426.601 5.920 0 40 IKAB Cc1nc2ccccc2n1C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 8430344 FKDXUAFLYZRWSB-UHFFFAOYSA-N 442.316 6.011 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 8440006 HGULZIZJVDBRTI-AAEUAGOBSA-N 432.373 5.499 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 8442771 OONMABNCULGBQV-HOCLYGCPSA-N 435.837 5.153 0 40 IKAB Cc1nn(-c2ccccc2)c(N)c1C(c1ccccc1)c1c(C)nn(-c2ccccc2)c1N 8774373 SGSKAJFROSVROE-UHFFFAOYSA-N 434.547 5.019 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1C 8871080 KWYLJQDOWQMAHD-IBGZPJMESA-N 443.595 5.717 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccc(Cl)cc2)n1 9250087 LXKZALPWFUYNQO-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB CN(C)c1ccc(C(=O)Nc2cc3ccccc3cc2C(=O)c2ccc(N(C)C)cc2)cc1 9363731 HMGMOYFFRIPUIV-UHFFFAOYSA-N 437.543 5.455 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)c(C)c2)cc1 9414028 DZAIBPKWPTUSIJ-UHFFFAOYSA-N 428.488 5.953 0 40 IKAB CC(C)Cn1c(S[C@@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 9442104 XRRHLAMUKVIUQC-NSHDSACASA-N 440.356 5.015 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H]2C[C@@H](C)OC2=O)c(C)c1 9871000 QASVENCJUYSPON-WZONZLPQSA-N 443.572 5.424 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 9953107 RVWRJGVCXUCCII-CVEARBPZSA-N 442.560 5.080 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 10314764 AXDPLRCZBCUSFT-UHFFFAOYSA-N 436.577 5.238 0 40 IKAB Cc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381617 DQBFTBJJVMWETP-SOFGYWHQSA-N 442.997 5.653 0 40 IKAB CCCOc1ccc([C@H](CC(=O)O)NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 12411270 RODYGMKIQZOVOL-IBGZPJMESA-N 442.899 5.038 0 40 IKAB COc1cccc(C(=O)CSc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)c1 12467900 LJWXLFMYGKIXBS-UHFFFAOYSA-N 446.597 6.221 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n(C[C@H]2CCCO2)c1C 12535283 OGEXIEMEJQUIKX-JOCHJYFZSA-N 437.565 5.202 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@H](C)[C@@]2(O)C1 12871361 MAKUVLYPLCQIEK-LCXWCDESSA-N 444.656 5.697 0 40 IKAB biogenic COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 13057400 FKFQBDKFTAQOCO-ZEQKJWHPSA-N 428.532 5.435 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl 13776434 YHLOHODZHWFWOD-AUSIDOKSSA-N 439.298 5.964 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 14155545 XLEPEVQVJFPMLT-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 15412590 SHBXTTNGXUQLFX-MUUNZHRXSA-N 440.587 6.165 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 15910731 AWTGORGZABTZRL-UHFFFAOYSA-N 443.830 5.275 0 40 IKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1c(F)cccc1Cl 16196287 FHASRLYMDJOVLU-UHFFFAOYSA-N 438.930 5.880 0 40 IKAB Cc1c(C(=O)NCCCN2CCCC[C@@H]2C)cc(-c2ccccc2)n1-c1ccccc1F 16531714 LPMLINVMCBWOAS-FQEVSTJZSA-N 433.571 5.586 0 40 IKAB CCN1CCN(c2ccc(NC(=O)C(C)(c3ccccc3)c3ccccc3)cc2Cl)CC1 16681521 GQFSNSLLHFWING-UHFFFAOYSA-N 448.010 5.427 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 16788793 PLGBRUSXCPLHAP-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc(Cl)c1O 17085955 KIGVNDDVIMLPAK-CWTRNNRKSA-N 434.989 5.511 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 17101151 CTNFABGXTNTZMT-ZDUSSCGKSA-N 437.321 5.439 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)Nc3ccn(Cc4ccccc4)n3)c2c1 19644930 DNYMBOVYCZYOCF-UHFFFAOYSA-N 446.554 6.324 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2cccc(Cl)c2)ncc1C(=O)Nc1ccccc1F 19764748 JVHHHXPBDSYMPL-QFIPXVFZSA-N 438.934 5.557 0 40 IKAB CCCCCOc1ccc([C@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 19851230 FVWAVGXBYNLLFE-VSGBNLITSA-N 439.640 5.605 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20050597 UTQQZCYXDFPTKL-LCXHTYQMSA-N 439.599 7.104 0 40 IKAB CCOc1ccccc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20189994 MLHJLNBAHGATML-NRFANRHFSA-N 433.895 5.308 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O 21524543 IOZPZFXMWDKLDS-GOSISDBHSA-N 425.960 5.275 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc23)cc1 24483427 HWXFOWKAPSJQIW-AVRDEDQJSA-N 430.379 5.066 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(OC(C)C)cc4)no3)nn2)cc1C 32951373 AKLOSIOZFRKZQV-UHFFFAOYSA-N 432.549 5.890 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 34838237 GZLCFJZGXKBRNC-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB CCOc1c(Br)cc(CNc2ccc(F)c(Cl)c2)cc1Br 35018421 XWVZUDVPCSSYLW-UHFFFAOYSA-N 437.534 6.015 0 40 IKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3ccccc3Cl)o1)CC(O)=N2 36356883 JMMJHAKMVPURSE-CYBMUJFWSA-N 440.290 5.661 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC1(c2ccc(Br)cc2)CC1 48312412 SYFRRUQBXZASNI-UHFFFAOYSA-N 447.785 5.574 0 40 IKAB Cc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@@H](c2cc3ccccc3nc2Cl)C1 71924259 YADSSSNFAXUDKS-OAQYLSRUSA-N 435.911 5.129 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H]1C(c3ccccc3Cl)=NO[C@@H]1C)oc1ccccc12 100281900 ISEJCPCYDHLLGM-DMZKTXOQSA-N 434.879 5.626 0 40 IKAB Cc1ccccc1OCc1n(CC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C 102581645 OHZBSGJYECCCNY-WDZJFXIESA-N 449.615 5.357 0 40 IKAB COc1cc(OC)c([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102865676 LWSZBFZOQJOTCJ-VWLOTQADSA-N 436.552 6.201 0 40 IKAB C[C@H]1CCCN([C@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 102894163 LZWZYLRIDMBKKK-SUMWQHHRSA-N 428.945 5.231 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc21 105059952 SGAKKUDJDUMIOC-UHFFFAOYSA-N 427.729 6.483 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@@H](CC(C)C)c1ccccc1 219163143 DHEUTTJJYQUDQB-QHCPKHFHSA-N 448.588 5.074 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](CC)C(=O)NC)cc1 223276023 XQPUMONJJCCQPT-NRFANRHFSA-N 435.395 5.042 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)(C)C 224171708 AHWIDHQHUPVTCV-UHFFFAOYSA-N 433.504 5.553 0 40 IKAB CC(C)Sc1nnc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)s1 224282397 DGRKZXIHKRPUNG-UHFFFAOYSA-N 436.027 6.237 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 224345013 DXCMCNORTNKWMQ-LOSJGSFVSA-N 440.572 5.317 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1C 224372615 BGLPFFDTPDGYCO-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1cccc(C)c1 224386306 BJLPUTNPWBLIBD-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Oc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224473754 KJUHPPKYSFGHBF-PKTZIBPZSA-N 446.963 5.408 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224587958 JEZYWPARTPOJRE-HSZRJFAPSA-N 429.004 5.161 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1C 225133012 UTMXLMXHVLIFDZ-KDYMBEQYSA-N 448.588 5.412 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCSCc2ccccc2F)ccc1Cl 225613090 GICQHIUHCYFDQK-UHFFFAOYSA-N 440.993 5.266 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225726353 GOKAFHFYFZRIFS-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CCc1cc(Br)cc(C)c1NC(=O)c1cc2cc3ccccc3nc2s1 226095722 LGHOKXQNMWHYDG-UHFFFAOYSA-N 425.351 6.335 0 40 IKAB CNc1nc(-c2ccc(OC)c(NC(=O)c3cc4cc5ccccc5nc4s3)c2)cs1 226095822 PJJYPHBYGVTTFZ-UHFFFAOYSA-N 446.557 5.876 0 40 IKAB O=Cc1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c2ccccc12 226766852 XGMXQUMRFNUIEE-UHFFFAOYSA-N 428.669 5.818 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)cc12 257249677 JJHQHZBMDPPAEX-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257306672 SVHQWQBRSQATTE-JOCHJYFZSA-N 438.575 5.273 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)cc1 408699905 WYLIXZQWEDTFIJ-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c(C)c1 408728714 RVALMTGQYQSQHV-WLGONLEPSA-N 431.535 5.727 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 408732155 SVDQIEKICFZSIO-DQXSBBCTSA-N 429.519 5.585 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccc(Cl)cc2Cl)o1 409008032 UVRADWLNZCLQNB-LBPRGKRZSA-N 438.336 5.556 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(F)cc1 409012699 LEBFVYSYUHQDGE-PCXKXAPESA-N 429.513 5.638 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Cl 409017377 WDSHONLGBPLWDE-YQNUULROSA-N 444.940 5.192 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 409126304 HIDIZWKKNVWUTC-KRWDZBQOSA-N 438.980 5.703 0 40 IKAB COCCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409130463 HZJRRLVKJGXYPH-HZHRSRAPSA-N 433.529 5.410 0 40 IKAB O=C(c1cccnc1)N1CCCCCCCNCc2cc(NCCc3ccccc3)ccc21 643574440 XGOYFSAQDRGUKV-UHFFFAOYSA-N 442.607 5.437 0 40 IKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(CCCc1ccccc1)CCCCCO2 643583182 VXBKMIIJHLBLQD-UHFFFAOYSA-N 443.587 5.973 0 40 IKAB Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)cc1C 1542033357 LHMUFCSKYWXATD-UHFFFAOYSA-N 429.155 6.926 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2C(=O)O)[C@@H](C)c2ccccc2)cc1 2037854252 CYSSRCNKMOXFAX-NRFANRHFSA-N 445.559 5.985 0 40 IKAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc(Br)cc1 831349 GIMVBGKGRLKRHN-LJQANCHMSA-N 434.380 5.039 0 40 IKAB Cc1oc2cc(OCc3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 842836 DATRWOVLWRWIKN-UHFFFAOYSA-N 448.902 6.162 0 40 IKAB biogenic Cc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 1050113 MWKNJOGEZNECEE-UHFFFAOYSA-N 444.366 5.858 0 40 IKAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 1098379 MRUOIWLNCJRXQQ-DMTYEBIYSA-N 445.518 5.313 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1 1359628 DHCUPLSYKCFTEG-UHFFFAOYSA-N 444.506 5.135 0 40 IKAB COc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 1903188 ALBRMRSWNPMINF-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB COc1ccc(C(=O)N[C@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 2068925 IRAVZYYLCDHQNW-HNNXBMFYSA-N 442.557 5.540 0 40 IKAB Cc1cc(C)nc(S[C@@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 2232502 FBSDGWKMSGQFEF-XZOQPEGZSA-N 447.585 5.113 0 40 IKAB CSC1=NC2=NC3=C([C@H](c4ccc(C)cc4)N2N1)[C@@H](c1ccccc1)Oc1ccccc13 2253434 ZCKRVNLUKYRHRJ-BJKOFHAPSA-N 438.556 5.490 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2Cl)c(Cl)c1)c1ccc(Cl)cc1 2340745 SVMJKXGZCOKCNQ-UHFFFAOYSA-N 442.729 7.845 0 40 IKAB COc1ccccc1N(Cc1csc(-c2ccccc2)n1)S(=O)(=O)c1cccs1 2663852 NMRDALFJEUEGNV-UHFFFAOYSA-N 442.587 5.276 0 40 IKAB CCCCSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 2721874 IMMWRZQNVVZEHQ-UHFFFAOYSA-N 442.356 5.422 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 2916718 IMBARSFXZOGDSH-BJKOFHAPSA-N 444.897 5.592 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 2999863 UNFFTTLFOJCQPA-UUOWRZLLSA-N 445.390 6.287 0 40 IKAB COc1cc(-c2cc(C(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc(OC)c1OC 3207481 NXMHBFFJAXRGBE-UHFFFAOYSA-N 448.906 5.833 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1Cl 3316502 BTHSDNGHJNIFTN-FQEVSTJZSA-N 448.733 6.492 0 40 IKAB C[C@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3320448 IXDNOSXCPXZZKQ-HSBZDZAISA-N 433.898 6.082 0 40 IKAB O=C(COc1ccccc1C(=O)c1cnn(-c2ccccc2)c1)Nc1ccc2ccccc2c1 3355662 JLEUUPXMOIKUHI-UHFFFAOYSA-N 447.494 5.274 0 40 IKAB aggregator CC(C)(C)c1ncc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nc1Cl 3851967 RBNGRJRTCZQBAA-UHFFFAOYSA-N 425.760 5.717 0 40 IKAB biogenic O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@H](Cl)c2ccccc2)cc1C=Cc1ccccc1 4267895 YSMPRUOJLAHKGO-YADHBBJMSA-N 443.286 6.933 0 40 IKAB biogenic CCN(CC)CCOC(=O)C(OCCCc1ccccc1)(c1ccccc1)c1ccccc1 4430118 QVHKRJIZHJRDAW-UHFFFAOYSA-N 445.603 5.465 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 6179702 YZKAPSTTZRKQDR-UHFFFAOYSA-N 445.588 6.394 0 40 IKAB COc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NC3CCCC3)[nH]2)cc1 8595059 KQCUPRCEXCPBCF-UHFFFAOYSA-N 425.529 5.042 0 40 IKAB aggregator COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)c1 8755651 ALJIALGARQGPJP-AZUAARDMSA-N 441.531 5.183 0 40 IKAB C[C@@H](NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 8832395 ASBDLHPLSMRWAJ-XNSMAJRBSA-N 444.402 6.988 0 40 IKAB Cc1cc2oc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc(=O)c2cc1Cl 9317384 GZVDSUDHDLYMCQ-UHFFFAOYSA-N 443.937 5.151 0 40 IKAB Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 9371640 WVBNZRGIIBRSPR-QFIPXVFZSA-N 435.907 5.128 0 40 IKAB COc1cccc2c1OC1(CCC(C(C)(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 9379893 LGTRJSDIFMJKMV-SOIRFNPCSA-N 438.999 6.825 0 40 IKAB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccc(C)cc4)cc3O)n[nH]c2C)cc1 9409630 HRQWVUHDSNLZNV-UHFFFAOYSA-N 444.487 5.557 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Br)cc1 9599231 HZBAWMBREPMTBW-UHFFFAOYSA-N 442.382 5.293 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9632661 RTOIBVGNCGJDMS-MRXNPFEDSA-N 443.931 5.094 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(O)c2ccccc12 9908904 ZVGJBLJUPYWGEA-HSZRJFAPSA-N 444.918 5.699 0 40 IKAB CC(C)CC(=O)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 9948551 USALWSBBDGOHQQ-UHFFFAOYSA-N 432.355 5.495 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193112 HEHATUBMJXRNOU-JTHBVZDNSA-N 435.321 5.700 0 40 IKAB Cc1nc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)sc1-c1nccn1C 12547399 SIOOTIGQYYSOFR-UHFFFAOYSA-N 446.561 5.019 0 40 IKAB CSc1ncc(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)n1-c1ccc(F)cc1 12754652 YTYPZSSOFBPHMF-UHFFFAOYSA-N 446.479 5.387 0 40 IKAB Cc1cccc(NC(=O)NCCCCCCCCCCNC(=O)Nc2cccc(C)c2)c1 14923464 UBZCPDISVDFMLR-UHFFFAOYSA-N 438.616 6.367 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)ccc1OC(F)F 15620230 CLXZNYLZSLKYQW-VQHVLOKHSA-N 444.503 5.326 0 40 IKAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H]([C@@H](C)CC)C(=O)N12)C(=O)Nc1ccccc1C 15783624 HTFJGDBBWXQQCN-ONGXBYRLSA-N 448.592 5.150 0 40 IKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)cc1OC 15881808 KSZQNHRASRBZHV-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1 16043833 YEIWVOZNQDZOHB-HXUWFJFHSA-N 441.915 5.171 0 40 IKAB O[C@@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 16477394 TYFUYBMLNZAZIB-NRFANRHFSA-N 446.772 5.505 0 40 IKAB CC(C)CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccsc2c1=O 16843551 GUNSEQXZNDTOBZ-UHFFFAOYSA-N 446.985 5.500 0 40 IKAB COc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 16960511 XOOQRKAUKCVRGU-UHFFFAOYSA-N 440.551 5.870 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2nc3cccnc3s2)c1 16992252 UVZYAOMVQZTMKR-UHFFFAOYSA-N 428.542 6.043 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)cc1 17094572 LOJZKBWAVWXSIX-UHFFFAOYSA-N 425.598 5.085 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1Cl 17096347 YQMIRCIWWBEKEM-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1cc(F)ccc1F 17156544 TWUIHBDUAKOSTD-UHFFFAOYSA-N 430.867 5.059 0 40 IKAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373040 FYIGPDCGMFKXNI-HSZRJFAPSA-N 436.519 5.045 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1Cl 20050145 AQRLJTNOINAKJV-UHFFFAOYSA-N 442.762 5.151 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1 20483942 PFDAJOVTVGOKBA-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 22029362 BPXDXUMHEVVWPR-UHFFFAOYSA-N 443.286 5.041 0 40 IKAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 22255335 RKHLJLHCVTYFMF-UHFFFAOYSA-N 447.922 5.631 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN=C2Cc2ccccc2)c(C(C)C)c1 24269591 CIKZVORRKFFCSP-UHFFFAOYSA-N 426.626 5.702 0 40 IKAB Nc1c(Cl)cc(NC(=O)c2cc(-c3ccccc3)c(N3CCOCC3)s2)cc1Cl 24760114 NFDMJZPXDVONAB-UHFFFAOYSA-N 448.375 5.393 0 40 IKAB CCCCN(CCCC)C[C@H](C(C)=O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841532 SGJLLIYCHAVIGF-NOZRDPDXSA-N 449.591 5.738 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 32718955 YIFZXLXLRLHSNJ-UHFFFAOYSA-N 448.548 5.140 0 40 IKAB CCCCOc1ccc(-c2cc3c(N4CCN(C5CCCCC5)CC4)nccn3n2)cc1 33266331 WSIWACMYKVOANG-UHFFFAOYSA-N 433.600 5.030 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3cccnc3)cc2c1 35312554 COCSNJSCIYGIRJ-UHFFFAOYSA-N 431.923 5.525 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)c12 48301000 ICKKAABYZQTRRC-VWLOTQADSA-N 434.499 5.455 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317295 RYFGEUJVNFFTFK-UHFFFAOYSA-N 441.639 5.166 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 104710434 ODHBWTUOTQPOQY-MRXNPFEDSA-N 429.582 5.641 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1C 224276039 DEZVUGPSBUBPEP-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224289653 MAHGKKVSBMLYCW-RTBURBONSA-N 444.423 5.700 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C(C)(C)C)cc1 224523471 KECALMYGKUVAHN-UHFFFAOYSA-N 447.575 6.531 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCC1 224599935 MYOIHIDYPPYGPF-RPWUZVMVSA-N 432.593 5.498 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCCNc1ccccc1 225058869 AKZJRWSUHPGHMH-JWQCQUIFSA-N 445.636 5.473 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1C 225148436 DYSBIWVSCHSIGF-FGZHOGPDSA-N 436.606 5.286 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 225169282 VBXSVFOWAIUJSP-FQEVSTJZSA-N 444.616 5.009 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225226240 UXAAMFJUFFBMPV-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225339422 PIIKQHPNAUEPIR-UHFFFAOYSA-N 443.528 5.230 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 225869327 CTAVSSMQDGTJLR-UHFFFAOYSA-N 444.796 6.037 0 40 IKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(Br)ccc2Br)c1 228950043 GWOXIVAVHGUWPQ-UHFFFAOYSA-N 442.151 5.988 0 40 IKAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)n1 257202483 AMBJDXGNCLESQO-SFHVURJKSA-N 449.986 5.162 0 40 IKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 257291726 QIJDALMPFCNXGU-UHFFFAOYSA-N 436.552 5.688 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257347675 PMJBQFRZSVOFFB-XGZGAJKBSA-N 448.644 5.137 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OCC 408616945 AUACUCOKYMUNJA-UHFFFAOYSA-N 434.374 6.402 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 408626145 ZJRZVIVXZVRWKT-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408657674 ISOGERUGLRABSK-QGZVFWFLSA-N 426.299 5.619 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4Cl)c3)C(=O)[C@H]2C1 408675160 AEIRVMHAQANUMA-HOTGVXAUSA-N 429.303 5.091 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(OCC)cc3)n2)cc1 408695903 UUKDKPGZKZMISF-UHFFFAOYSA-N 442.519 5.292 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408708942 VNAHNWMICBXWET-OAQYLSRUSA-N 432.951 5.031 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408749658 IGRNWRGGSBSEKH-IAGOWNOFSA-N 426.538 5.407 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4C)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409038570 AAERZSBXBXAUNV-CGWFDZAZSA-N 445.562 6.035 0 40 IKAB Clc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 409103280 GISCTQSWJHEAHQ-UHFFFAOYSA-N 447.778 6.582 0 40 IKAB O=C(NCc1ccccc1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 409111715 CDUUWOMROHCXII-UHFFFAOYSA-N 448.632 5.712 0 40 IKAB CCOc1cc(CNc2ccccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409256232 KIOFNSOZBSSZBB-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(C)cc3C)cc2Cl)c1 409268138 QIVKPSOVZZUSCV-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccc(C(=O)c2cccs2)cc1 643486 WWPBSFWJPSQEAF-UHFFFAOYSA-N 425.509 6.246 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Br)cc4)sc3n2)cc1 661593 CKVDORQGVKHKEP-UHFFFAOYSA-N 439.334 5.548 0 40 IKAB Cc1oc(C(=O)Nc2ccccc2)cc1COc1ccc(C(=O)Nc2ccccc2)cc1 828950 YVTLYZGZXLSGII-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 874700 BYWKDOCBFRVNTI-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(C(F)(F)F)s1)c1ccc(Br)cc1 945126 RDZNTUYPDPNBFN-UHFFFAOYSA-N 433.274 5.905 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1ccccc1C(F)(F)F 1247967 BWBYBPXYBIMDLT-DHDCSXOGSA-N 440.830 5.034 0 40 IKAB CCOc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3NCc3ccco3)cc2c1 1330457 UVGGNRYHWSHTNX-UHFFFAOYSA-N 434.883 5.100 0 40 IKAB O=C(CSc1nc(C2CC2)nc2ccccc12)N1c2ccccc2Sc2ccccc21 1332681 ZSAJPLGOPJFSCU-UHFFFAOYSA-N 441.581 6.429 0 40 IKAB COc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c(OC)c1 1339859 XAMMBAOJWYCLNE-UHFFFAOYSA-N 444.556 5.574 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C(C)C)nc2sc(C)c(C)c12 1340339 HBOAOHXMIPDGBS-UHFFFAOYSA-N 436.002 5.824 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccco1 1341822 NMXKATVQRZRGPB-DEOSSOPVSA-N 434.536 5.056 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1Cl 1380113 IXFJVPIAWOLPJO-QFIPXVFZSA-N 440.902 5.519 0 40 IKAB COc1ccc(CCNc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 1407291 QLLXNQXHEKCDFP-HXUWFJFHSA-N 429.564 5.350 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Br)cc1 1883800 IGOXSVCZAAISML-UHFFFAOYSA-N 449.131 6.239 0 40 IKAB CC(C)(C)c1ccc(Oc2coc3cc(OCCCc4ccccc4)ccc3c2=O)cc1 1915234 BBZHMBAPASRFPP-UHFFFAOYSA-N 428.528 6.894 0 40 IKAB COc1ccc2c(COc3ccc4c(=O)c(-c5ccccc5)coc4c3)cc(=O)oc2c1 2150773 SDKHZRSSQSVVOV-UHFFFAOYSA-N 426.424 5.154 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1nc(C)c(C)s1)C3=O 2210464 IJUDZERPRPWWLS-QFIPXVFZSA-N 444.556 6.048 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 2225162 LDTCTESSDXYSPT-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB C[C@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)c1ccccc1 2720043 KFSVWLGPOGLKGH-ZDUSSCGKSA-N 445.407 5.497 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc2c(c1)OCO2 2909048 UMXYLNITEUSFOX-UHFFFAOYSA-N 442.949 5.181 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C1(c2ccc(Cl)cc2)CCCC1 3008166 RPRWBBZQBFJVEX-UHFFFAOYSA-N 441.959 5.862 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 3037110 LNTSHRPDUYJBSW-KGYLQXTDSA-N 433.565 5.944 0 40 IKAB CC(C)(C)C(=O)C(Cc1ccc(Br)cc1)Cc1ccc(Br)cc1 3148501 YGYLDJWYVFGZEW-UHFFFAOYSA-N 438.203 6.228 0 40 IKAB CCOc1ccc2oc(C(=O)N(C3=N[C@@H](C)CS3)c3ccc(Cl)cc3)c(C)c2c1 3336892 XKGRDGGASQGUNM-ZDUSSCGKSA-N 428.941 5.931 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N[C@@H]1CCCc2ccccc21 3355559 BLHDQZRYPMMZDK-LJQANCHMSA-N 448.781 6.007 0 40 IKAB CN(C)CC(C)(C)CN[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 3434592 XMOHMCJLCJJPRG-IBGZPJMESA-N 441.925 5.216 0 40 IKAB COc1ccc(OC)c([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)c1 4767875 KCMUBKOXTWNKLM-DEOSSOPVSA-N 447.535 5.218 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CC[C@H](O)CC3=O)CC[C@]2(C)C1 5047624 XUEQTRQROYLIEL-GVQQKFASSA-N 448.688 6.493 0 40 IKAB CC(C)(C)P(=NC(=S)N1CCCCC1)(N1CCCCCC1)N1CCCCCC1 5496378 WUEQOVWSMGIWRD-UHFFFAOYSA-N 426.655 6.339 0 40 IKAB Brc1cccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 5940247 KIGWZRWQNFEJHP-YMHSLHOESA-N 437.381 6.111 0 40 IKAB CC12[C@H]3c4cccc5cccc(c45)[C@@H]3N([C@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 8386401 IDPUIWYSFAENMW-ORYMTKCHSA-N 436.558 7.479 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 8440691 ZZTJUHTUNPXPFW-VWLOTQADSA-N 440.008 6.332 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc(C3CC3)nc21 8826115 CEZCGPVMMLTVMC-UHFFFAOYSA-N 436.519 5.685 0 40 IKAB Cc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(C)cc3)C(=O)N(CCC(C)C)C2(C)C)cc1 8926371 IESWCZIMZMMQTJ-QFIPXVFZSA-N 438.572 5.620 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(Br)cc3)ccc1O2 9135382 UKDSHKFRKAIQDY-UHFFFAOYSA-N 437.293 5.392 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccc5ccccc45)nc3c1[C@@H]2c1ccccc1 9158986 COFGMRWGNZDKOF-XMMPIXPASA-N 442.478 5.936 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccccc1 9260663 YATMJAROPWVBJW-HYARGMPZSA-N 427.891 5.440 0 40 IKAB biogenic CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 9305160 WGLCOTFKVPBFGF-KRWDZBQOSA-N 438.597 5.372 0 40 IKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(Cl)cc3)CC4=O)nc(C)c2c1 9346050 FDNRPWJYAYXGRV-QGZVFWFLSA-N 443.938 5.600 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1ccccc1 9355540 NJRLKOIESPZYBV-NDEPHWFRSA-N 432.498 6.719 0 40 IKAB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccc(Br)cc2)CS3)cc1 9360210 CCRKHVPCXLUMTK-UHFFFAOYSA-N 427.371 5.363 0 40 IKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 9456725 RBVJIXNMOZRUAB-UHFFFAOYSA-N 446.400 5.906 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 10112191 BVDBZUYUGBHQHA-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CSc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(C(C)(C)C)cc3)sc2c1 10528857 BOEMDNWSKSACBI-UHFFFAOYSA-N 447.629 6.558 0 40 IKAB CN(Cc1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1)C(=O)c1ccco1 11667152 ZLFPXDBBLAGZOZ-UHFFFAOYSA-N 431.536 5.278 0 40 IKAB CN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 11667181 CIPMSGAVSCUNNO-UHFFFAOYSA-N 429.589 5.950 0 40 IKAB COc1cccc(NCc2nnc(SCC(=O)c3cccs3)n2C2CCCCC2)c1 12534782 FAEIPWJYFZYEBD-UHFFFAOYSA-N 442.610 5.441 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12542230 SRDRAWBNHDQKEJ-MKSRXEMYSA-N 441.571 6.129 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 12784525 HCMVVEAEWLVWPC-QZTJIDSGSA-N 445.588 5.490 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1cccc2ccccc12 13635670 QHRGRZQTXMWXIE-UHFFFAOYSA-N 427.895 5.467 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1 13678889 KRRKQLPOIYFICZ-UHFFFAOYSA-N 428.579 5.257 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687483 ZOBKOZGVABRHCI-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 14132025 RAVCOCQOHJPDNQ-PCLIKHOPSA-N 439.536 6.628 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 14709904 OGOOZNCXXLQEJV-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB COc1ccc([C@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413040 RIZLBOCTAFKXCN-SANMLTNESA-N 428.532 5.050 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccccc2OC)on1 15974087 PNIFOUHJPIFBNY-UHFFFAOYSA-N 448.500 5.508 0 40 IKAB CCCCOc1ccc(C(=O)O[C@@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 15978159 AITWSBYFRIMUQY-RUZDIDTESA-N 447.531 5.801 0 40 IKAB Clc1ccccc1COc1ccc2ccccc2c1CNCCc1c[nH]c2ccccc12 16525930 UQDZHQZOYYNOFZ-UHFFFAOYSA-N 440.974 6.886 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 17095930 ADSDQDZBCSXQDR-SFHVURJKSA-N 428.532 6.588 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)ccc1Br 17099917 FJQMCRHRWLVTOA-UHFFFAOYSA-N 436.103 5.427 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1F)c1cccc2c(Cl)cccc12 17101683 YDVRJMROYRNHGC-UHFFFAOYSA-N 437.721 5.522 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 19646674 VGDSRFBJXVOWLK-GJZGRUSLSA-N 447.940 5.239 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1 20411351 DCAXPERWIMNRJK-UHFFFAOYSA-N 449.963 6.398 0 40 IKAB CC(C)N1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)C1 20840645 JJHBOBAEDATFAY-UHFFFAOYSA-N 447.629 5.506 0 40 IKAB Cc1ccc(C)c(NC(=O)Cn2c(=O)c(CNc3ccccc3)cc3ccc(C)cc32)c1 20940081 YHOUVWHZRYJCRP-UHFFFAOYSA-N 425.532 5.178 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccco1 21595754 RCEHDVIEUQUHMO-UHFFFAOYSA-N 434.536 5.934 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 22475325 DVDJNIQLBCYGNO-GOSISDBHSA-N 433.533 5.014 0 40 IKAB C[C@@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(C(C)(C)C)no1 24047797 QCLHULVICYLIFG-CYBMUJFWSA-N 432.981 5.055 0 40 IKAB CCc1ccccc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 24759707 DKPAIAJPPQTWKL-JOCHJYFZSA-N 441.358 5.536 0 40 IKAB O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131683 XYEKNSBJTLSHHL-HNNXBMFYSA-N 438.496 5.716 0 40 IKAB COc1cccc(N[C@@H](c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770923 SQUXJPZEBPASBP-DEOSSOPVSA-N 443.572 6.222 0 40 IKAB CC(C)c1ccc([C@@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCOCC2)cc1 28291783 UOVNFMFGHHEFMF-HXUWFJFHSA-N 443.012 5.481 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32114783 LXYBGDBTPCXNLJ-UHFFFAOYSA-N 428.822 5.752 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl 32594062 MZXIZSNFTNMOQE-HNNXBMFYSA-N 425.916 5.292 0 40 IKAB Clc1ccccc1N1[C@H](n2nnc3ccccc32)CCC[C@H]1n1nnc2ccccc21 33413356 MTIZOFGVMJWOLE-DHIUTWEWSA-N 429.915 5.217 0 40 IKAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4nc5c(C)cccc5s4)cc(C)nc32)cc1 36615966 NFNDFAPWQDTKAY-UHFFFAOYSA-N 443.532 5.216 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Br)c2)N1Cc1ccc(F)cc1 40485541 FUKDLRIMIULOIN-NRFANRHFSA-N 438.296 5.641 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@@H]2c2cccc(Br)c2)cc1 40485845 IHSDTWGMHXUVCW-OAQYLSRUSA-N 435.321 5.205 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nnc(C)s3)n2-c2ccccc2C)cc1 44086807 ANJDZYMCFCFAMD-UHFFFAOYSA-N 435.578 5.047 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44932227 XWRGDRHEACHKLC-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB COc1ccccc1-c1nc(-c2ccccc2OCC(=O)Nc2ccc(Cl)cc2)no1 44974462 DSQWDIDDYNTHAU-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=C(Nc1nc2cc(F)c(F)cc2s1)c1nc(Cl)c(Cl)c(Cl)c1Cl 58779146 OLVHSQLPNNELPV-UHFFFAOYSA-N 429.062 5.835 0 40 IKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)n2)cc1 67257753 TUILTCWFWONUJJ-UHFFFAOYSA-N 434.348 5.498 0 40 IKAB O=Cc1ccc2c(c1)[C@@H]1CCC[C@@H]1N2c1ccc(C=C(c2ccccc2)c2ccccc2)cc1 95079911 SYQNONGZPWUKAF-IZEXYCQBSA-N 441.574 7.876 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@H]4C(C)C)cc3C2=O)c1 102066509 KJORDJNCXCUSDH-GERBCZOESA-N 433.548 5.722 0 40 IKAB biogenic Cc1ccc(C(=O)Oc2ccc([C@H]3C4=C(O)CC(C)(C)CC4=Nc4ncnn43)cc2)cc1 102858425 NJRVLEFVVIPAPW-QFIPXVFZSA-N 428.492 5.113 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/Nc3cccc4c3CCCC4)c3ccccc3C2=O)cc1 103004514 KZTXRCWXAFUIGW-XIEYBQDHSA-N 438.527 5.604 0 40 IKAB Cc1noc(C)c1C12C[C@@H]3C[C@H](CC(Cc4nc5c6c(C)c(C)sc6ncn5n4)(C3)C1)C2 103152556 ZGEUKQJBADTMCH-LYBIEXDWSA-N 447.608 5.641 0 40 IKAB C[C@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O 118913589 KEOLCBLQBIWDBI-HPVRMYKESA-N 446.672 5.155 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc4ccccc4)CC[C@@]32C)C1 118925899 XMWPQZREYSBONJ-SMMAGBJFSA-N 449.635 6.526 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927567 FDKJNVMJOZNFQP-FTMFKYNVSA-N 430.629 6.086 0 40 IKAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 216439467 CZKLVSZFOUKQRM-CYBMUJFWSA-N 430.422 5.532 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 223373669 XPXWMGZSMMBVMA-RTWAWAEBSA-N 444.575 6.015 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223436281 PHXDQGVTTVNPTN-DQEYMECFSA-N 441.556 5.523 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 223552187 GWNJLCIYBCKSNJ-PKTZIBPZSA-N 446.963 5.563 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223552939 ZVCLYWNFRQJDKQ-QFIPXVFZSA-N 444.641 5.140 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1Cl 224135824 FSIFVGUWZNFVNP-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224176578 XHFOYHHAAKHQSY-DNQXCXABSA-N 426.545 5.058 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224300374 HRHQHFCRICHQBV-UHFFFAOYSA-N 425.528 6.551 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224311559 BLXHQHAQFQGBMC-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224345700 KTIJCMUQQDBDHM-UHFFFAOYSA-N 427.953 5.580 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)ccc1F 224914710 DSRXGEKQICJWDM-DNQXCXABSA-N 434.584 6.013 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225131659 GIWWWGRXDBPHTL-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225459536 OQZITDPXOHAGLT-URXFXBBRSA-N 440.653 5.259 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)CC(C)(C)O2 225674574 WLCJXTMMIKBADB-MRXNPFEDSA-N 439.806 6.000 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2O1 225728404 ZQUJQWCJJDEPFG-GOSISDBHSA-N 428.381 5.495 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@H]1c1ccccc1C 226778671 XXAJFVBDXNMJEA-VWLOTQADSA-N 435.527 5.510 0 40 IKAB Cc1ccc(N=C/C=C(/Nc2ccc(C)c(Cl)c2)c2ccc(Cl)cc2)cc1Cl 254706013 UOQZPAZZODYLAG-HBOWQFNRSA-N 429.778 8.119 0 40 IKAB Cc1nc(Nc2cncc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)sc1C 257232040 GJEHNJOIBHRZIR-UHFFFAOYSA-N 430.581 5.221 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1OC 408609933 PLCGKHFPPNHDDM-UHFFFAOYSA-N 438.092 5.227 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408648378 XYRHZLQMICAOOX-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408674245 YVVQYZQLFDAERL-MRXNPFEDSA-N 426.299 5.619 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)/C=C/c1ccccc1 408848709 XWPAKHRSBPIJEO-IBCOTZFFSA-N 439.467 5.049 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409011826 HZXWWTSRWIZFGR-ZRRZQRFHSA-N 428.348 5.080 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)c1 409105141 GQORXURBZWHEST-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1C 409109592 HVHLEFKJCCQIDL-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB Cc1ccccc1NC(=O)CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409174741 UMAFCUJTSQGXQN-VWLOTQADSA-N 435.907 5.535 0 40 IKAB Cc1nc(S/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(=O)O)n[nH]1 409192709 ZKYJXBONIJPSKF-MTJSOVHGSA-N 435.480 5.202 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409254277 YRLDPGWEGCLOHU-UHFFFAOYSA-N 438.955 5.849 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409351015 WUDHQLWYYUMTAW-VYVDHXHBSA-N 438.549 5.156 0 40 IKAB CC[C@H](C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 585295394 XYDBMXYRMWTJFX-BYHUZDBLSA-N 444.015 6.151 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871536 LATQEESRGINFEU-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB COc1ccc(-c2nsc3c(SCC(=O)Nc4cc(C)cc(C)c4)ncnc23)cc1 902742 FSILGEBZUCFSTF-UHFFFAOYSA-N 436.562 5.110 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccccc1 1339036 QXEORUWXSFGSTH-XMMPIXPASA-N 431.511 5.058 0 40 IKAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc2ccccc2n1 1355180 XMCHNDBJTUNPJA-UHFFFAOYSA-N 427.479 5.733 0 40 IKAB COc1ccc([C@@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1OC 1454349 JZGLDCVDDGOVRX-INIZCTEOSA-N 436.320 5.146 0 40 IKAB CCCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2240619 NIXVHVIQMRCUGI-UHFFFAOYSA-N 444.644 6.679 0 40 IKAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2640994 SDZBQWGMRAKQFR-GOSISDBHSA-N 436.625 5.485 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2cc(-c3ccccc3)sc2n1 2679323 CYQHCCDCHWEITD-UHFFFAOYSA-N 425.966 6.051 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1 2754969 MXJZCIAIZXSXEI-UHFFFAOYSA-N 445.563 5.627 0 40 IKAB CC(C)N(C(=O)CSc1nc2ccccc2s1)c1ccc(Nc2ccccc2)cc1 3397001 QVKPMEIWVBHIMH-UHFFFAOYSA-N 433.602 6.574 0 40 IKAB O=C(Nc1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)c1ccc(F)cc1 3582236 SPNGWEGSCHWERE-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)[nH]c2SC(=O)c2ccccc2)cc1 6150552 ZHNODPTXIFRACF-UHFFFAOYSA-N 434.542 5.150 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 8430691 BAZRRFRPCSIXJT-UHFFFAOYSA-N 428.337 5.128 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@@H]2[C@@H]1c1ccc(Cl)cc1 8453260 VPEICTQDOUWGTK-GMAHTHKFSA-N 436.342 6.549 0 40 IKAB CCOc1ccc(-n2c(N)c(C(=O)OCC(CC)CC)c3nc4ccccc4nc32)cc1 8836575 ZQIOREUROCZNDT-UHFFFAOYSA-N 432.524 5.148 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccc(C)cc2)cc1 8843111 CBLFDBOWMZBDPI-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)c1ccccc1 8855999 VWHUNWXNMZADLO-LJQANCHMSA-N 443.638 5.358 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 8870333 YHTXSAJFHSGSCH-UHFFFAOYSA-N 449.528 5.694 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 8871360 KYOPYFOOPNSSGD-SFHVURJKSA-N 431.923 5.267 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)n2C(C)C)cc1 9053865 JLDDQDSVNCLVAB-ZDUSSCGKSA-N 448.951 5.446 0 40 IKAB Cc1cccc(C)c1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 9064848 KVFGPNYYJQYYNL-VQHVLOKHSA-N 445.371 6.397 0 40 IKAB Nc1ncc(-c2ccc(Br)cc2)c(-c2ccc(OCc3ccccc3)cc2O)n1 9186402 SGWOZEBCZHUONJ-UHFFFAOYSA-N 448.320 5.440 0 40 IKAB biogenic C[C@@H](NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N)c1ccccc1 9186983 VEILFPSANZASMZ-GOSISDBHSA-N 449.579 6.704 0 40 IKAB CC(C)Sc1nc2sc3c(c2c2nnc(SCCN4CCCCC4)n12)CCCC3 9347678 CGCUPNWSQVOIKC-UHFFFAOYSA-N 447.699 5.296 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 9371833 VAYQBXMHMLTKPN-IKVMQTKTSA-N 437.495 5.108 0 40 IKAB Nn1c(SCc2cccc3ccccc23)nnc1-c1cc(-c2ccc(Cl)cc2)[nH]n1 9487631 RXGNZIADTFVLHM-UHFFFAOYSA-N 432.940 5.148 0 40 IKAB COc1ccc(Br)cc1CN(C)C(=O)CCc1ncc(-c2ccc(C)cc2)o1 9512149 QMWVSDWSIFQFAY-UHFFFAOYSA-N 443.341 5.012 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(Cl)cc2)cc1 9599139 RGBHWZRJMWVUEI-UHFFFAOYSA-N 427.957 5.192 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)c1 9664155 XMJZFBDWEGJFJF-UHFFFAOYSA-N 448.979 5.686 0 40 IKAB Cc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)cc2)c1 9762214 AOWUQYMJPFGRAO-QGZVFWFLSA-N 446.572 5.543 0 40 IKAB CC(C)CC(=O)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948606 PMVYKEJPXJULTD-UHFFFAOYSA-N 432.355 5.495 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1NS(=O)(=O)c1ccccc1 10358510 LSJIYZVAYPZQSD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOC(=O)N1CCc2c(sc(NC(=O)C(C)C)c2-c2nc3ccccc3s2)C1 11024120 MNUDLAZOFVNJAC-UHFFFAOYSA-N 429.567 5.134 0 40 IKAB COc1ccc(-n2c(SCCOc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 11151824 SXIDHEKFYXDIOD-UHFFFAOYSA-N 432.549 5.126 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3F)oc3c(sc4ccccc43)c2=O)cc1 11691996 MCXOLVZEVOXHKV-UHFFFAOYSA-N 445.471 6.075 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)ncn4[C@@H](C)c3ccccc3)cc2)cs1 12463247 IJAHQDLAQAGNNH-KRWDZBQOSA-N 438.556 6.330 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)N2CCCCC2)nnc1-c1c[nH]c2ccccc12 12527050 MXGLREGRJLWBPX-GOSISDBHSA-N 445.592 5.217 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)c(F)c2)cc(Br)c1OCc1ccccc1 12568259 GZTOCJINLPYHIH-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3Br)c3ccccc3C2=O)cc1C 12648039 NQWILMYNBPUBKJ-ZHZULCJRSA-N 447.332 5.706 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3C)C2)c2ccccc12 12768961 KJZCRTBHBBGQSK-KRWDZBQOSA-N 436.939 5.301 0 40 IKAB CC(C)c1c(NC(=O)/C=C/c2ccc(-c3ccccc3)s2)c(=O)n(-c2ccccc2)n1C 13001277 RVQDLHDEUBCSRO-BMRADRMJSA-N 443.572 5.680 0 40 IKAB COc1ccccc1-c1nc(CN(C)CC(=O)Nc2c(Cl)cccc2Cl)cs1 13038928 IJZYPDQCPHLBSY-UHFFFAOYSA-N 436.364 5.196 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)N1c2ccccc2Sc2ccccc21 13134477 FYXYJRBUTZIYCS-UHFFFAOYSA-N 446.753 6.311 0 40 IKAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 13562286 HUPHXNZALDIWMI-UZLBHIALSA-N 432.033 6.106 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)c3ccccc3n2C)cc1 13942418 CXFNAUQDRCHVEY-RBTNQOKQSA-N 436.555 5.878 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccccc1 13955583 VFRCBCKRGZLQNR-MYUZEXMDSA-N 437.543 5.289 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 15647076 BBLVHFLMOYPYTI-IBGZPJMESA-N 428.479 5.739 0 40 IKAB COc1c(Br)cc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 16194478 QSGNMKAHAVLYNR-UHFFFAOYSA-N 429.196 5.279 0 40 IKAB 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CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccccc1Cl 107042982 ZKLSQPFXGYPWBS-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 123255345 WICQHKDZHVVRAU-QJVLRDIYSA-N 444.700 6.930 0 40 IKAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 222538864 VLUNSTJQVYXHSA-XMMPIXPASA-N 436.577 5.010 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 223072810 DDOXMMLHANGXFB-FGZHOGPDSA-N 441.984 5.312 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 223230436 FCWQOTMFRABVKG-LJQANCHMSA-N 429.004 5.169 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C(C)C 223373499 NFIMQYMUPMIWAL-OAHLLOKOSA-N 440.403 5.070 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 223778231 CJSYFYQHKXRBIU-HSZRJFAPSA-N 445.003 5.223 0 40 IKAB COc1ccccc1Oc1ccc(NC(=S)NCC2(c3ccccc3)CCCC2)cn1 223974884 HIBKHDBLNCIWLB-UHFFFAOYSA-N 433.577 5.681 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccc(Cl)cc1 224350480 IDQPUHPORZZXDF-UHFFFAOYSA-N 441.936 5.664 0 40 IKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 224526422 BQPMFGHYDBKAAL-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 224616347 HKHJPKROTUZHMF-DHIUTWEWSA-N 431.492 5.363 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)cc1 224658086 ZHCBVEXPXJGFTB-BJKOFHAPSA-N 443.597 6.421 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224665506 DSHHUBWZJCAFGN-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225055422 XKQDFRZCMZHSLJ-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)cc1C 225258811 JFNWPDBEWFXEMV-IBGZPJMESA-N 434.627 5.049 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)cc1C 225607962 JJMYJVCGMRMLCA-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB 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O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 9057124 WSURSINOSUUMGK-UFFVCSGVSA-N 442.273 6.056 0 40 IKAB COc1cccc2cc(C(=O)N(C[C@@H]3CCCO3)c3nc4c(C)ccc(C)c4s3)oc12 9133773 APXSNLRMOPPIQL-KRWDZBQOSA-N 436.533 5.494 0 40 IKAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccccc1 9584976 JLJOIZWUNZMXNZ-INIZCTEOSA-N 449.963 5.009 0 40 IKAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Br)cc2)=N1 9599276 YPDHNEQSIRMOLW-FQEVSTJZSA-N 448.361 5.288 0 40 IKAB Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)nc2ccccc21 9685422 GIIGGISCMUDLDF-QGZVFWFLSA-N 438.603 5.166 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2 9972071 LEHKLISOBDGNCD-OAQYLSRUSA-N 445.302 5.490 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 10325229 XFKJOSURROOXGA-GOSISDBHSA-N 434.561 5.202 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 10866552 JSBWBGHEEXWXGK-NRFANRHFSA-N 428.557 5.640 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)c1 11667238 IGGMOHDYCDXUKI-UHFFFAOYSA-N 431.536 5.460 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OS(=O)(=O)c3ccccc3)cc12 11866225 UFNGVMLRWAWABD-UHFFFAOYSA-N 426.877 5.190 0 40 IKAB biogenic CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12193023 QHUCHETWCXZLTG-IAPPQJPRSA-N 442.559 6.507 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1 12478443 NUIGMJWIIGMKJD-RUZDIDTESA-N 448.538 5.560 0 40 IKAB CCn1c(C)cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c1C 13114718 HNZCCVVPLUBVLO-UHFFFAOYSA-N 444.988 5.259 0 40 IKAB Cc1cc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)n3C3CC3)c2C)no1 13125875 ZJNPQOXZMHLOED-UHFFFAOYSA-N 439.566 5.020 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1cccc(F)c1 13498375 XMPVNJHLARNKEC-XMMPIXPASA-N 436.552 5.263 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc(Cl)c1 14269130 NXUIGAQHCHGEGA-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 14270716 CIYLXLUZFOHBHR-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2Cc2ccc(Cl)cc2)n1 14360443 XCCYXGQAPBTBOQ-UHFFFAOYSA-N 447.951 5.546 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(-c4nc5ccccc5[nH]4)cc3)c12 14898578 XWDBCDCIAKNENH-UHFFFAOYSA-N 448.486 5.332 0 40 IKAB Cc1c(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cccc1-c1nc2ccccc2o1 16250104 UMBXTMLMPBOCOX-UHFFFAOYSA-N 435.936 5.512 0 40 IKAB COc1cccc(-c2nn(-c3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2Cl)c1 17094295 KOYOSSQTWSXUDJ-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB O=C(COc1ccc2ccccc2c1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17095261 LRDLCXHZBGYYJT-UHFFFAOYSA-N 427.283 6.529 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 17095966 MCTVGIGNSNCFLI-GOSISDBHSA-N 428.532 6.643 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 17096373 WQMINZFXHHKQAS-HNNXBMFYSA-N 429.347 6.885 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3F)nc2c1 17097344 PDAYQMLOBRVRAX-UHFFFAOYSA-N 431.250 6.202 0 40 IKAB CCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 17098713 SEYKZHHTZOUNQH-UHFFFAOYSA-N 433.983 5.477 0 40 IKAB Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)c(C)cc1I 17099706 BZBQVUZULCKWDV-UHFFFAOYSA-N 435.692 5.967 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17101712 DQFPJCPYATUDBN-UHFFFAOYSA-N 437.765 5.600 0 40 IKAB O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@H](c4ccccc4)C[C@H]3C2=O)c1 18152747 CMWQHGOOGSLUPK-WUMKDDEVSA-N 431.532 5.249 0 40 IKAB COc1ccccc1-c1ccccc1C[C@@]1(C(=O)O)CCCN(Cc2cccc(F)c2)C1 19571702 ZJUPSXWKBZLJBC-MHZLTWQESA-N 433.523 5.411 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)c3cccnc3)CC2)n1 19694872 YVDLVIMAFDSULK-UHFFFAOYSA-N 439.481 5.414 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCc2ccccc2F)C4)cc1 19882480 BVEUEMVHXWLARL-UHFFFAOYSA-N 431.463 5.002 0 40 IKAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NCC5CCCCC5)C4=O)cc3)sc2c1 19890033 OBQRXXDGKZFRBC-NRFANRHFSA-N 433.577 5.074 0 40 IKAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccc(C(C)C)cc2)S1(=O)=O 20063499 IKXCCWWACHFXQD-UHFFFAOYSA-N 446.572 5.378 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3)c(OC)c2)cc1 20103012 OGSACDVJHHOICT-UHFFFAOYSA-N 438.955 6.026 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1Cl 20488781 UFTHGNCVTZEMKT-UHFFFAOYSA-N 448.950 5.722 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 20549798 JRZRNWYMNJRVQK-HZPDHXFCSA-N 449.956 5.463 0 40 IKAB CCc1ccccc1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275378 PXIIHUOMGRGDOQ-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275513 FCXCYFKHUZCRCC-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 22533495 YDTCSLQZNZQKNU-UHFFFAOYSA-N 448.588 5.640 0 40 IKAB COc1ccc(-c2c(C)nn3c(Nc4ccc(Cl)c(Cl)c4)cc(C)nc23)cc1OC 27585423 VHTGBNJQGWEEEP-UHFFFAOYSA-N 443.334 6.081 0 40 IKAB COc1ccc(CN(C(=O)c2oc3cc(C)cc(C)c3c2C)c2ccccn2)cc1OC 28287949 WEQLDGZEIIWXHP-UHFFFAOYSA-N 430.504 5.617 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 32901716 NKWLPIJWCBAFQH-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3o2)no1 33270692 LKKAJAHNIAOIMI-UHFFFAOYSA-N 428.901 5.036 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H](O)COc2ccc(C3CCCCC3)cc2)CC1 33541891 XLWFWQMRMCBPCK-XMMPIXPASA-N 443.031 5.258 0 40 IKAB CC(C)N(C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C 33556278 IEGPLMBNCDZNLQ-UHFFFAOYSA-N 440.616 6.779 0 40 IKAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccccc1F 33623223 RZUYGEMVPKIOPN-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB Cc1cc2nc(C3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)[nH]c2cc1C 35291743 HGFKMWDFLXXMNA-UHFFFAOYSA-N 430.474 5.017 0 40 IKAB C[C@H](Sc1ncnc2c1cnn2C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 36397053 QHCBNYLFJVWPFW-AWEZNQCLSA-N 434.956 5.268 0 40 IKAB Cc1c([C@H](C)NC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)oc2ccccc12 58167470 NYHZDLFVEBSRDM-FDDCHVKYSA-N 427.504 5.481 0 40 IKAB Brc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 59409098 PVQJCDSETPMUQF-NRFANRHFSA-N 425.351 5.725 0 40 IKAB CN(Cc1nccn1CC(F)(F)F)C(=O)c1ccc(COc2ccc3ccccc3c2)o1 65553716 YVIAXHKRPGPLDV-UHFFFAOYSA-N 443.425 5.043 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214854 IHNNTGQHWBSVLW-OAQYLSRUSA-N 439.556 5.705 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)NC3(c4ccccc4)CCCC3)sc3ccccc23)C1 72352633 WGJXZIPCNNEWNA-LJQANCHMSA-N 432.589 5.436 0 40 IKAB Cc1nc(C[C@@H]2CCCN(C(=O)CC3CCCCC3)C2)cc(Nc2ncc(C)s2)n1 72382296 BAHJIXVQZRDTFG-IBGZPJMESA-N 427.618 5.045 0 40 IKAB CC(C)c1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221521 RGXUVIPHALFQRH-NRFANRHFSA-N 426.468 5.730 0 40 IKAB biogenic COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c1C 106712591 XVPUOHVBNLRDSA-ZDLGFXPLSA-N 439.364 5.295 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222821481 YFOIAOAWKPCINW-SFHVURJKSA-N 445.003 5.174 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 222996718 OBQJMMHXVFCEPS-GOSISDBHSA-N 433.017 5.074 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 223360384 YINKKZSBSNTKEK-FCHUYYIVSA-N 433.558 5.592 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223443012 GJBMQVYOKDTOCH-RPBOFIJWSA-N 446.620 5.570 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223974839 MTYJXIVGYIIJAJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1Cl 224134563 PSARAWQDZQQUBF-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(C(C)(C)C)cc1 224178499 GXWAQKBKNLCTAW-UHFFFAOYSA-N 437.967 6.155 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(Cl)c(C)c1 224207350 PQZPILZBYNCXAC-UHFFFAOYSA-N 446.330 6.150 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 224314392 SALIXBZYCPKUKR-KRWDZBQOSA-N 433.935 5.856 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 224554905 SLVLXJCPMQZLNS-ROUUACIJSA-N 446.395 5.091 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1C(C)C 224566407 VEKPGJIXFFKKOS-UHFFFAOYSA-N 441.930 6.833 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 224799398 XTNPJUZXQPMNDJ-LJQANCHMSA-N 443.031 5.514 0 40 IKAB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)CC1 225520721 HHVUAGCRYSFKSB-UHFFFAOYSA-N 438.587 5.777 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225552610 OVCLYFXAYXSDPM-WXVAWEFUSA-N 444.619 5.803 0 40 IKAB FC(F)(F)c1cccc(N2CCN(C3CCN(Cc4cc5ccccc5o4)CC3)CC2)c1 252500283 SREAPHYCRFCLIP-UHFFFAOYSA-N 443.513 5.238 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)n1 257247435 IYZYENWMCNWRGE-QGZVFWFLSA-N 446.526 5.011 0 40 IKAB Cc1ncc(CN2CCO[C@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)s1 257265058 LXDJWDUQSRBPRB-NRFANRHFSA-N 433.499 5.030 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)cc12 257291326 QGMJUTRIYQAWGA-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 408682543 YWMPWXAVWHRHDD-UHFFFAOYSA-N 444.553 5.379 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)c(Cl)c2)c1 408694655 LKDGKPKJTBIZFW-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(Cl)cc2)c1 408699277 VXZUGVXABIXMLE-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C(c1ccccc1)c1ccccc1 408713899 CFXYIWCGIRPEME-UHFFFAOYSA-N 439.559 5.825 0 40 IKAB COC(=O)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408811366 NNAQWTJHEAPSGC-QZAGLCHTSA-N 435.569 5.527 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3ccc(-c4ccccc4)cc3)nc2-c2ccccc2)cc1 408826692 KMPJZKYPBSFQJJ-UHFFFAOYSA-N 446.575 7.705 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063742 MNUWKGFCZXXITA-UHFFFAOYSA-N 432.951 5.806 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)c1 409102731 TWAHFEBMRUPPQN-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc(Cl)cc3)sc3c2CCCC3)cc1C 409111929 AKLLAXNTODCYOE-UHFFFAOYSA-N 438.980 6.402 0 40 IKAB Cc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1C 409115505 MRLQLZXXTFYGSR-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 409178917 KHUDKJPTAAPJBU-AWNIVKPZSA-N 447.343 5.446 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\S(=O)(=O)c3ccc(C)cc3)n2C)cc1 409196589 QAKLCJHSFYQXLI-IZHYLOQSSA-N 434.586 5.327 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)cc(C)c2)cc1 409383757 FEGSXLJQVQVDEE-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB CC(C)(C)OC(=O)O[C@]1(c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc21 585656283 HNUZWMFRWDNHTL-DEOSSOPVSA-N 425.481 5.164 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(Cc3cccc(F)c3)n2)C1 1848355087 SUGCPQUSUOATKK-HXUWFJFHSA-N 427.523 5.242 0 40 IKAB O=C(Cc1ccc(Br)cc1)Nc1cnn(Cc2c(Cl)cccc2Cl)c1 680072 RPBXECUAPADVNN-UHFFFAOYSA-N 439.140 5.182 0 40 IKAB COc1cccc(OC)c1C(=O)Oc1ccc2c(=O)c(Oc3cc(C)ccc3C)coc2c1 723964 GUJOQBLZORARSG-UHFFFAOYSA-N 446.455 5.439 0 40 IKAB biogenic COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 881949 VAYDAIGJNAAZNN-UHFFFAOYSA-N 437.908 5.284 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 1320465 BNVKGSCCPKRCDD-HSZRJFAPSA-N 426.299 5.001 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1 1365947 MTWVAIYCGZXVJB-IBGZPJMESA-N 438.515 5.450 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)c(C)c1 1859840 IYCAEMKBUJVBLT-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(C(=O)NCCc3ccccc3)ccc2Cl)cc1 2069743 JMSUBNCFDVFKPY-UHFFFAOYSA-N 434.967 5.862 0 40 IKAB Ic1cccc(-n2c(-c3ccccc3)nc3nc4ccccc4nc32)c1 2214687 IFCBGNJJHCZUAC-UHFFFAOYSA-N 448.267 5.240 0 40 IKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2255050 UPLPLZCOZIBLIY-DNQXCXABSA-N 444.897 5.592 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)C3CCCCC3)ccc2c1=O 2377571 SVGKFBZJIACXMO-UHFFFAOYSA-N 446.421 5.973 0 40 IKAB biogenic C[C@H]1CCc2c(c3ccccc3n2C(=O)CSc2nnc3sc4ccccc4n23)C1 2405259 RLDSOLCONSEVBU-AWEZNQCLSA-N 432.574 5.456 0 40 IKAB O=C(OCC(=O)N1CCc2ccccc21)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 2630079 JLKQBOVEYGDYSW-PXLXIMEGSA-N 435.882 5.152 0 40 IKAB Cc1sc2ncn3nc(CCn4nc(C(F)(F)F)cc4C)nc3c2c1-c1ccccc1 2792674 BPTSRQSOVPTWHP-UHFFFAOYSA-N 442.470 5.081 0 40 IKAB NC(=O)c1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(Cl)cc1Cl 2937074 XTPRSIDOOBRACV-UHFFFAOYSA-N 445.146 5.382 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)Nc1ccccc1F 3259946 JDDAZLIOUASAGH-UHFFFAOYSA-N 434.854 5.490 0 40 IKAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1)OCc1ccccc1 3262633 CDIRDAOIDXAJHT-QHCPKHFHSA-N 447.922 5.298 0 40 IKAB Cc1ccc(C(=O)Sc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(C)c1 3328998 YOZYHWJTNXSAAV-UHFFFAOYSA-N 441.600 6.781 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@@H]3C)cc(=O)oc2c1 3365652 YHGDNZZBCVIOSX-LAUBAEHRSA-N 446.576 5.798 0 40 IKAB CCn1c(SCCCC(=O)c2ccc(Br)cc2)nnc1-c1cccs1 3412056 SCRKXKQWIXEOMB-UHFFFAOYSA-N 436.400 5.544 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)c(Cl)c(C)c2)cc1 3655513 ZRACOOSZNRGXGO-UHFFFAOYSA-N 447.918 6.260 0 40 IKAB C(=C/c1ccccc1OCCCCOc1ccccc1/C=C/c1ccccc1)\c1ccccc1 3847094 XFLWYCSVIRUPER-MBALSZOMSA-N 446.590 8.265 0 40 IKAB O=C1CCC[C@@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 5641067 WPDWXBXPPXADDC-HXUWFJFHSA-N 436.667 7.776 0 40 IKAB CC(C)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 8635839 RWSPTEVKEIYVGP-NNWRFLSQSA-N 448.567 5.230 0 40 IKAB biogenic,in-vitro Clc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3C3CCCCC3)o2)cc1 8752755 JACOHKYDQPIVGD-UHFFFAOYSA-N 441.944 6.039 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc2c(c1)OCCO2 8756982 DHQBWIOYEJIKJB-UHFFFAOYSA-N 437.565 5.052 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccc(Cl)cc1 8926554 DJWXJWRSXZBTSU-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB CCOc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 9232572 OWCFUXKXGAWNHL-SSEXGKCCSA-N 447.582 7.053 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c(Cl)c1 9293166 VIAJQASPXKGQNU-FGZHOGPDSA-N 448.313 5.193 0 40 IKAB COc1ccc(Cc2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 9512792 WYTZMAVVNLUTAI-JOCHJYFZSA-N 449.507 5.280 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@H](C)CC(C)(C)C4)ncnc32)cc1 9531301 MUCKECRIZRAIKH-PZJWPPBQSA-N 440.591 6.723 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1F 9546562 LZQJWRZVQVLKQI-IBGZPJMESA-N 443.478 5.278 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@H]2c2ccccc2Cl)cc1 9679511 KHLKYDGUDNJVPE-JOCHJYFZSA-N 447.878 5.250 0 40 IKAB CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@H]1c1ccc(Cl)cc1 9850280 YQLUPEABRRTZJK-QUCCMNQESA-N 432.973 5.008 0 40 IKAB Cn1c(CN2CCC[C@@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 12202067 SWPFEBCLKKKORA-KRWDZBQOSA-N 444.501 5.223 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1cccc(Br)c1 12226205 CSEAPASBXJUFRT-UHFFFAOYSA-N 427.220 5.069 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1c(N)c(C(=O)c2ccc(C)c(C)c2)n2ccccc12 12342147 CDDJDURSRYLMOK-UHFFFAOYSA-N 447.922 5.284 0 40 IKAB COc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc23)cc1 12424621 GGRQFUXCUAHLLS-HNNXBMFYSA-N 435.574 5.164 0 40 IKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H]1c1nc2ccccc2s1 12599075 FURCLTXABAPGHW-BLGFXRMMSA-N 440.952 5.488 0 40 IKAB Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 12680738 MTFBTNHUSDWOSA-FQEVSTJZSA-N 445.544 5.817 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 13536954 YXHIZMKPEVXIID-LADGPHEKSA-N 449.348 6.090 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 15906021 JFKHTAOEQKQUED-FHFXGYIMSA-N 439.005 6.900 0 40 IKAB Cc1ccc(N(Cc2cccc(OCc3ccc(Cl)cc3)c2)C(=O)c2ccccc2)cc1 16292597 FKPZNAGWKOWOPF-UHFFFAOYSA-N 441.958 7.074 0 40 IKAB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@@H](c2ccccc2)C1 16492426 KSKWHTQHWZDQNU-HXUWFJFHSA-N 444.332 5.396 0 40 IKAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccccc1Cl 16606138 FRFWBGPUELLYEW-YFKJYVEOSA-N 440.027 6.766 0 40 IKAB CCOc1cc(CNCC(C)C)cc(Br)c1OCc1ccc(Cl)cc1 16688425 VNIGWNNSJDRFFR-UHFFFAOYSA-N 426.782 5.826 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 17099257 DANPJRXQSAMHIK-INIZCTEOSA-N 434.923 6.679 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 17099337 CUCQQTKTQCCPLS-UHFFFAOYSA-N 434.967 6.408 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc5ccccc5s4)C3)cc2n1 19522388 FNARIJLAABBSQS-AWEZNQCLSA-N 444.482 5.155 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2)cc1 19642066 AWJYWPJETZNYPO-UHFFFAOYSA-N 444.619 6.781 0 40 IKAB Cc1ccccc1CN1CCC[C@@](O)(c2nc(C)c(CCOc3ccccc3)s2)CC1 19738683 GQVVCNVFICLATI-SANMLTNESA-N 436.621 5.255 0 40 IKAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)ccc1-c1ccc(CO)o1 20139583 PASOLQWMLKICIS-UHFFFAOYSA-N 432.328 6.521 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 20411755 WOSKMAZMFBFBBT-UHFFFAOYSA-N 446.528 5.693 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 20610218 IBNKGNWADPSXJF-UHFFFAOYSA-N 434.927 5.271 0 40 IKAB Clc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(Cl)c1 21486343 HZMVNIMYXBLXBJ-UHFFFAOYSA-N 439.392 7.802 0 40 IKAB Cc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22112326 TXBJQJNOQFTYGT-UHFFFAOYSA-N 445.375 6.032 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2ccccc2Cl)c2c[nH]c3ccccc23)cc1 23573175 HIIXPRVQAGJMOF-FQEVSTJZSA-N 434.923 5.157 0 40 IKAB CCc1ccc(OCC(=O)N(CC)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27991104 BXKSCFPJJDIRBF-NDEPHWFRSA-N 426.560 6.056 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)cc1C 32116649 REFOTZKIFASPFD-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CC(C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1)(c1ccccc1)c1ccccc1 32127380 GBOLILYSWXJNLG-UHFFFAOYSA-N 427.356 6.548 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3sccc3C(=O)c3ccccc3)cs2)cc1 32931809 PQFNZPRZYLTSBM-UHFFFAOYSA-N 448.569 5.504 0 40 IKAB O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@]12NCCc1c2[nH]c2ccccc12 35323522 WFPVBYJDLCCKPO-RUZDIDTESA-N 448.353 5.411 0 40 IKAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(Cl)cc2)c1 57486289 ATXQFILEHPPTSQ-UHFFFAOYSA-N 427.957 5.031 0 40 IKAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccc(Cl)cc3)c12 58160620 IQULCRXJCQEOFC-INIZCTEOSA-N 427.982 5.704 0 40 IKAB CCCn1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(=O)c2ccccc21 64963681 DAOMHCKLRBMNNC-UHFFFAOYSA-N 437.499 5.708 0 40 IKAB CC(=O)Oc1cc(C)c2c(c1)CC[C@@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 65748857 TZGGOZSKJGOUCF-VDWGHMIBSA-N 444.700 8.443 0 40 IKAB in-vitro COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1F 67259916 CPFGMEPHHVEOKC-UHFFFAOYSA-N 430.501 5.085 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 89822935 XEUFMLYRJPTBAP-RYGJVYDSSA-N 434.433 5.257 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 101191847 CGGJPQBOGMMGRQ-NRWUCQMLSA-N 446.926 5.661 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 101530981 RFBBNAHDSTYUGA-QYNSEJBZSA-N 432.490 5.098 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 106296973 BYFPSTGQZHMVQF-HHHXNRCGSA-N 434.495 6.182 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 108913088 OFMWAWUPRBPOOI-GGPYAICQSA-N 441.962 7.169 0 40 IKAB COC(=O)CC[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=C[C@@]21C 118924582 SWHWAFFISKDSIL-RUIGJVBESA-N 430.629 5.942 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 217938312 MWHQGYKRJHROFV-OPWBJGKSSA-N 445.563 5.447 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 222507421 XUGVGIQDQKKNRB-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)CC(C)(C)O2 223278787 DLZFVUQHFCCTLS-GYZZIOIESA-N 446.572 5.246 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223313490 GZWWVYHFKLZATA-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccc1 223370434 QEQOUURWBSKWNI-QZTJIDSGSA-N 430.396 5.078 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223585339 GJQLVSSWTLKQHQ-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223794666 QDFOIIHVKYDNTD-OAQYLSRUSA-N 438.637 5.262 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 223952253 OZOSNJVPBMRAGE-FQEVSTJZSA-N 430.614 5.359 0 40 IKAB Cc1ccccc1CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019087 QDPWYUXMLOTMSN-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CN(c1ccc(C(=O)NCCC2CCCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224235882 IIWAWBZCCGJLHY-UHFFFAOYSA-N 449.016 5.255 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224244400 JYICRBICVJEBQA-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2OC)cc1 224266478 QQKZVZVYRVKNIZ-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224324437 QJHNXAQMPHSKEM-OALUTQOASA-N 444.423 5.645 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 224343121 LZWVGRMFZYSICI-IZZNHLLZSA-N 438.600 5.920 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224766129 FKIBFJPFXZTACJ-VWLOTQADSA-N 448.994 5.047 0 40 IKAB COC(=O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032722 PABKFMGNWMUBGM-PKTZIBPZSA-N 447.560 5.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225459433 OQZITDPXOHAGLT-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225646232 ZKSYGKNZVHPGCW-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766817 PDWMSIJYCDYMMA-UHFFFAOYSA-N 442.696 6.127 0 40 IKAB COc1ccc2c(CN3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)cn(C)c2c1 257214656 CMWMVSCLCAMFSL-UHFFFAOYSA-N 443.566 5.691 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccc(Cl)cc1C(=O)O)[C@@H](C)c1ccccc1 257215060 COMOQKLUOBGBQS-SFHVURJKSA-N 437.923 5.515 0 40 IKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OC)n(CCc2ccccc2)n1 257260748 LEDVCDSYLSQTTF-UHFFFAOYSA-N 442.515 5.565 0 40 IKAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CC3=CC(C)(C)NC(C)(C)C3)n2)s1 257281622 OQDXAIXSRJFMAO-LJQANCHMSA-N 439.629 5.121 0 40 IKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 257299928 RSFBUZLPYLBVDG-UHFFFAOYSA-N 446.934 5.945 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5Cl)o4)C3)cc12 257322462 WGBXSLJAAJFBMA-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB COc1cccc(C(=O)C[C@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408682872 KDOPAXLSETXBTR-HSZRJFAPSA-N 428.937 5.445 0 40 IKAB COc1cccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)c1 408979170 PMIMPRZNQDQQHS-UHFFFAOYSA-N 440.532 5.438 0 40 IKAB CN(C)c1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409140512 FDJMXHXTGRMUER-PTGBLXJZSA-N 431.561 5.212 0 40 IKAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c1 409157297 IFKNVEBAWIGUEJ-UDWIEESQSA-N 434.542 5.237 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409195956 XGJXORXCOPEEFM-YBFXNURJSA-N 439.876 5.848 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(Cl)c1 409360232 MIUVUHFNTLGDNR-UHFFFAOYSA-N 447.029 5.424 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc3ccccc3n2)Cc2ccccc21 643560420 QWGOFJPJEAZKCL-UHFFFAOYSA-N 429.564 5.584 0 40 IKAB CCN1CCCCN(C(=O)CCC2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643561986 GRTRKPNMKWRKJV-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB Cc1cc(C(=O)Nc2ccc(-c3nc4cc(Br)ccc4s3)cc2)ncn1 1615613189 QYMYSUXFZSWGGT-UHFFFAOYSA-N 425.311 5.077 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccc(F)cc3)nc12 648803 UEHUPJIEACSKDO-UHFFFAOYSA-N 447.535 5.738 0 40 IKAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 714954 JCFCWGCVDGABCZ-DOTOQJQBSA-N 436.821 5.155 0 40 IKAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 800084 ODMXXASRLXOXGO-IBGZPJMESA-N 438.515 5.138 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 843630 AJWLGUNRLUABCH-GOTSBHOMSA-N 430.870 5.283 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 949709 QXDOUZDNTAUCBB-JOCHJYFZSA-N 441.922 5.526 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 1003815 XDBCOAWUOQJORN-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccco1)C(=O)c1cccs1 1333466 KAICLRJAWIZCPH-HXUWFJFHSA-N 428.579 5.235 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1341531 YQPRZAIZWPRKHE-XMMPIXPASA-N 432.520 5.125 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)Cc1cc2cccc(C)c2[nH]c1=O 1378241 BNSLMWIMUKKXNI-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB CN(C)c1ccc(NC(=S)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 1435576 KKGDGPMBXFHDIG-UHFFFAOYSA-N 425.941 5.434 0 40 IKAB COc1ccc(CN(CC[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 1882494 NHUADAMKWCCPMV-LJAQVGFWSA-N 445.603 6.362 0 40 IKAB biogenic O=C(Nc1cc(Cl)ccc1Cl)c1cc(Br)cc(Br)c1O 1882676 IACFWPGNIZWEIQ-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB Cc1c(Cl)cccc1NC1=C(Sc2ccccc2)C(=O)N(Cc2ccccc2)C1=O 1907277 ZKPZJCNCYPTOCC-UHFFFAOYSA-N 434.948 5.633 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)C(c1ccccc1)c1ccccc1 2052188 FWRNUSSEMPYOMV-UHFFFAOYSA-N 448.897 6.004 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSC1=NCCS1 2279645 SPGPWZGNCAFRCU-QHCPKHFHSA-N 445.053 5.997 0 40 IKAB Cc1ccc2nc(-c3ccc(N[C@]4(c5ccccc5)OC(=O)c5ccccc54)cc3)sc2c1 2281557 QPHKJBRWOBGBEA-MUUNZHRXSA-N 448.547 6.755 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4cccc(C)c4)cc2-3)cc1 2691360 VKUXUVUKOOSSLF-UHFFFAOYSA-N 439.515 5.586 0 40 IKAB COc1ccc(C)cc1Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 3277566 PISQLVWDOKPGNL-UHFFFAOYSA-N 437.493 5.175 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)ccc1Br 3290743 CVFLUHILJJDEKS-UHFFFAOYSA-N 440.293 5.345 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)N1CC=C(c3ccccc3)CC1)oc1ccccc12 3292525 OXNVDTPFHPOECC-SFHVURJKSA-N 426.516 5.711 0 40 IKAB COc1cc(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)ccc1OCc1ccccc1 3309301 UNOBACOAXWTFRO-UHFFFAOYSA-N 447.531 5.367 0 40 IKAB Cc1cc(=O)oc2c(C)c(OC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)ccc12 3378926 VJOSDNQWMAHXHT-UHFFFAOYSA-N 436.467 5.482 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)cc1 3459639 GOGXDNFHTWBHLB-UHFFFAOYSA-N 428.557 6.288 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1 4122732 ZXWKOIJWCOLWGH-UHFFFAOYSA-N 445.544 5.754 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cccc4ccccc34)nc(-c3ccccc3)nc12 6860542 NIWGTDWQBQNFKO-UHFFFAOYSA-N 449.579 6.743 0 40 IKAB Cc1ccc2nc(-c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)cc(C(=O)O)c2c1 8440329 VHAPFDWELSLWRV-UHFFFAOYSA-N 431.797 6.841 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc(F)cc1 8759612 CWDFKMJUZMJNBO-KRWDZBQOSA-N 449.913 5.428 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(NC(=O)C(C)C)cc2)c1Cl 8832333 UDPADJNAIZLUJI-UHFFFAOYSA-N 443.758 5.876 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3cccc(Oc4ccccc4)c3)sc2c1 9151883 BLNULAZEBFFDTC-UHFFFAOYSA-N 445.588 5.996 0 40 IKAB COc1cc([C@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 9477041 HECRMLFDXMYQGX-GOSISDBHSA-N 443.956 5.817 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 9581468 RYHJQVMKGAKULU-LJQANCHMSA-N 426.516 5.702 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CN(C)[C@@H](C)c3nc4ccccc4s3)cs2)cc1 9642459 ZGHURHMUPAEBAI-INIZCTEOSA-N 436.606 5.435 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc(C)n2C2CCCCC2)o1 9877705 JTXBJFDKNCSCDU-UHFFFAOYSA-N 436.541 5.397 0 40 IKAB CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1ccc(C)cc1 9941312 RNJMEBFGUZTMFS-UHFFFAOYSA-N 435.527 5.946 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4ccccc4c3)c2C)cc1 10314882 SHRZUHNKNASDKK-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB COc1ccc(Cl)c2sc(N(CCCn3ccnc3)C(=O)c3cccc(F)c3)nc12 10381625 LKZKXSNWJQTESF-UHFFFAOYSA-N 444.919 5.031 0 40 IKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)s1 11181405 BXVZBNLHCOKJHV-UHFFFAOYSA-N 439.606 5.549 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCOCC2)cc1 11240881 WBHANMRETOMQRL-UHFFFAOYSA-N 446.334 5.056 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)c1ccc(Cl)cc1Cl 12249592 LQOUUYXJHKZAKW-UHFFFAOYSA-N 429.712 5.584 0 40 IKAB COC(=O)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 12446053 DXYBQSIYNVUPTM-UHFFFAOYSA-N 442.306 5.269 0 40 IKAB Cc1cc(-n2nc3ccccc3n2)c2oc(SCc3cc(F)c(F)cc3Cl)nc2c1 12446756 SSMOYOQSKHLVAO-UHFFFAOYSA-N 442.878 6.094 0 40 IKAB Clc1ccc2nc(-c3ccccc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1 12486873 VUYNDJSEPGGDAK-UHFFFAOYSA-N 430.920 6.293 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(NC(=O)C(C)C)cc3)c3c(C)noc3n2)s1 12785480 MLIBLYKZCQMPMF-UHFFFAOYSA-N 434.521 5.415 0 40 IKAB CCCc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccs2)cc1 12883465 WYNTYPRVEMVPSK-LADGPHEKSA-N 448.588 5.338 0 40 IKAB COc1ccc(N(Cc2nc(-c3cccs3)oc2C)S(=O)(=O)c2cccs2)cc1 13011773 OOAYWWYRIPYBHW-UHFFFAOYSA-N 446.575 5.177 0 40 IKAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)c1 13029807 VKUSUNQCGIXCCS-UHFFFAOYSA-N 439.515 5.150 0 40 IKAB O=C([C@H]1CC(=O)N(C2CCCC2)C1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13114287 UJLGMCDKMDKHLX-SFHVURJKSA-N 449.551 5.405 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684805 YHHKUTZDPZAOHR-KRWDZBQOSA-N 436.939 5.700 0 40 IKAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4cccc(C(C)=O)c4)cc3)c(C)oc2c1 13689932 ZCCXYGZXDUHSBP-UHFFFAOYSA-N 443.455 5.357 0 40 IKAB biogenic CCOC(=O)c1ccc(Nc2c(-c3ccc(O)c(OC)c3)nc3ccc(Cl)cn23)cc1 15414399 RSASIJNSUPTHCI-UHFFFAOYSA-N 437.883 5.289 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4cccc(Cl)c4Cl)cc3)c2O1 15881157 ZELMLQLMHNBPJZ-UHFFFAOYSA-N 442.342 6.538 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 16157643 RPXHRGQQBWIMJR-CSKARUKUSA-N 430.729 6.631 0 40 IKAB COc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc(Cl)cc1 16185156 HCVRMDJHLVGFBT-IBGZPJMESA-N 442.924 5.100 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 16193288 UJRKDSHUDUJGIJ-QHCPKHFHSA-N 449.576 5.143 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2nnc(SCc3ccccc3Cl)s2)[C@@H]1C=C(Cl)Cl 16733603 LFEBJETXWVGQNQ-GXFFZTMASA-N 448.828 6.014 0 40 IKAB O[C@@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957577 PEAWIEYQMCERBF-OXJNMPFZSA-N 449.885 5.501 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(N3CCCC[C@H]3C)cc2)cc(OCC)c1OCC 17095032 KRUOYSNVYPZEIR-GOSISDBHSA-N 426.557 5.514 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)c(Cl)c(C)c3)cc2s1 17097746 YYQJKNUNAIFRHX-UHFFFAOYSA-N 431.945 5.323 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19637758 PLISVMUVALAYHA-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB CCc1ccc(-c2cc(C(=O)NCc3cccnc3)c3cc(Br)ccc3n2)cc1 19644288 CQKJOUHHLOBZER-UHFFFAOYSA-N 446.348 5.552 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(CSc2ccccn2)c1 20111970 PIAKGGWHCINPNY-DEOSSOPVSA-N 431.561 5.108 0 40 IKAB biogenic COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 20451016 SZUSTHQRWKNIOS-ZWKOTPCHSA-N 434.561 5.306 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c(OC)c1 21595560 YDYSZMAYHDEWJW-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CSc1cccc(C(=O)N(CCn2cccn2)c2nc3c(Cl)cccc3s2)c1 23144757 NPLCWSAIAPOJFI-UHFFFAOYSA-N 428.970 5.215 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 24169687 OFRHLAQFSURWOP-UHFFFAOYSA-N 431.542 5.967 0 40 IKAB CCCOc1c(Br)cc(C(=O)N2CCC[C@H]2c2ccc(OC)cc2)cc1OC 27394881 BZNVEZDNYDZVRV-IBGZPJMESA-N 448.357 5.232 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1C 32622460 BYTNSDXWTLRSLX-UHFFFAOYSA-N 446.345 5.540 0 40 IKAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 33621760 VSSMHSOCSVHHJX-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)cc1OC 35325953 AWNSWWICKWQHDF-UHFFFAOYSA-N 445.544 5.068 0 40 IKAB Cc1ccc2c(c1)c1ncn([C@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(Cl)cc1 35400695 NZWPKKJYCPTVJT-GOSISDBHSA-N 427.935 5.971 0 40 IKAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38852835 JYIRIJANTMEDCS-UHFFFAOYSA-N 429.457 5.388 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3Cl)CC1)CC(C)(C)O2 44855228 HYCRSJRIDLIWPS-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB Cc1cccc(C)c1OC1CCN(Cc2cc(=O)n3c(-c4ccccc4)csc3n2)CC1 48312250 KKWZUPZRQNJSOE-UHFFFAOYSA-N 445.588 5.083 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)Nc1ccccc1C(F)(F)F 49030449 QUTHDZHJIWTYPT-OAHLLOKOSA-N 433.430 5.127 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)o2)c1 58162734 DBTYQBHLOLWNTL-CHWSQXEVSA-N 437.594 5.610 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 59294196 OZZSGMXLEBFVTD-SAPNQHFASA-N 434.495 6.969 0 40 IKAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 65563755 HSNDLEBBNGBNTG-BGYRXZFFSA-N 448.588 5.273 0 40 IKAB COC(=O)c1c(NC(=O)c2cnc(C)cn2)sc(C)c1-c1ccc(Cl)cc1Cl 71801258 WBZXZMJHBBKBFY-UHFFFAOYSA-N 436.320 5.168 0 40 IKAB Cc1cc2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340931 URPKJWVZOMVKSX-AWEZNQCLSA-N 448.514 5.017 0 40 IKAB CN(CCCC(=O)N1CCC[C@@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1)c1ccccc1 72380424 UXLDERHBGKTJIR-HXUWFJFHSA-N 436.987 5.353 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl 84691740 VLTGEFMKVGXGSH-VXGBXAGGSA-N 440.758 5.697 0 40 IKAB Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1cc(Cl)ccc1F 95401701 TUCIJYGPMSDSKY-UHFFFAOYSA-N 439.893 6.777 0 40 IKAB COc1ccccc1[C@@H]1C=C(c2ccc(Cl)cc2)Nc2nc(-c3ccc(Cl)cc3)nn21 100817219 PDCRVAJXJSCDSC-NRFANRHFSA-N 449.341 6.317 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936200 ZUXCJTMUJNGXDG-VCRDOGAPSA-N 430.629 5.942 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3sc(C)nc3C)nc3ccccc23)cc1 215695895 BUKICFXFAPCJPK-UHFFFAOYSA-N 432.501 5.023 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 222900060 KDDDGNOLNSRLAT-LJQANCHMSA-N 434.555 5.244 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223741384 UBKOIMJXHKOFFU-OAQYLSRUSA-N 434.624 5.393 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cccc(Cl)c1 224146178 QMODCUZZLJGAFU-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCCC1 224162437 RJVXDBBHPRXCBQ-LOSJGSFVSA-N 430.621 6.182 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177312 BFAGVIMRONNRJS-RPBOFIJWSA-N 440.572 5.448 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 224214326 LZUJIUSIPAJQPW-RPWUZVMVSA-N 443.597 6.311 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 224244130 AIUQGBOFUMKGIY-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(Cl)cc1 224350812 XOJDDDSDCHWUPC-UHFFFAOYSA-N 429.994 6.615 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cc(C)cc(C)c1 224534441 PKMUEUPNDQDCFR-UHFFFAOYSA-N 439.939 6.195 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224876246 RNKRSQOWWFYLSR-XZOQPEGZSA-N 446.963 5.408 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 225525957 NLRDTXQYGYNEEP-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 225683118 QAKBVBONOUATKC-MRXNPFEDSA-N 439.350 5.186 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(C(F)(F)F)c1 225804052 FMGFXNMGJORUHQ-UHFFFAOYSA-N 429.320 5.346 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1Cl 225866593 YWZRRUKVEMFAIB-UHFFFAOYSA-N 437.392 5.926 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)cc1 252495210 ONOUFHOCNXGTGB-UHFFFAOYSA-N 446.576 5.266 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 257332744 XYMLOJHRWYZXQU-FQEVSTJZSA-N 429.589 5.577 0 40 IKAB CCOc1cc(COc2ccc(Br)cc2C=O)ccc1OCc1ccccc1 408541190 YHLKZTOSXGRZSY-UHFFFAOYSA-N 441.321 5.818 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2Cl)cc1 408674859 DJQVXDHIMKDCIF-UHFFFAOYSA-N 437.326 5.721 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC(c2ccccc2)c2ccccc2)cc1 408675969 MHVZOQCKJGWGTF-UHFFFAOYSA-N 444.534 6.003 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408697184 FSXXGALMPXMUNX-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2ccc(F)cc2)cc1 408699580 XYZBQVHSJIWFRV-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB COc1ccc(CCCC(=O)Nc2ccc(I)cc2C(C)C)cc1 408914652 VOUYYDCAVFNISF-UHFFFAOYSA-N 437.321 5.385 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 409099025 RPZDYHUPAHVOAG-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409167557 JDIKODMEBXSNQR-HIPSJFSSSA-N 444.940 5.192 0 40 IKAB Cc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(C)c1-c1ccc(Br)cc1 409198122 XRFVWPVLMSTXEZ-FLFQWRMESA-N 445.426 5.468 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccc(F)cc1 409262014 HARBTCJHMLYPQP-UHFFFAOYSA-N 444.325 6.453 0 40 IKAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccc(F)c(Cl)c1 585151788 KCTFUXLLEGJAKA-UHFFFAOYSA-N 433.917 5.260 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cccc(-c3noc(CC(C)(C)C)n3)c2)cc1 607445278 UTRQELGRUKQIQE-UHFFFAOYSA-N 434.540 5.060 0 40 IKAB Nc1c(S(=O)(=O)c2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 1025730 RWEBUXJRSURQDH-UHFFFAOYSA-N 440.493 5.459 0 40 IKAB CC(=O)O[C@@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@H](c2ccc(C)cc2)C1(C)C 1075125 VFYZBKMASOPBDO-DHIUTWEWSA-N 428.960 5.282 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(C)c1 1268181 WAJXNNONTANVNL-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)cc1 1326307 XGGWGUPRGUKMTC-LBPRGKRZSA-N 425.579 5.058 0 40 IKAB Cc1nc(-c2ccccc2)nc2c1nc(Cc1ccc(Cl)cc1)n2Nc1ccccc1 1611299 VSYROJMOAOCFIW-UHFFFAOYSA-N 425.923 5.921 0 40 IKAB COC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 1809137 WZSUVVOZZQQOSY-QJMZJAKPSA-N 434.355 5.034 0 40 IKAB CCCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1OC 1904526 HNBSICWXXWNZPR-MHWRWJLKSA-N 446.499 5.460 0 40 IKAB CCC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 2183501 PLFJJXVLJSSGHX-IRXDYDNUSA-N 443.609 5.971 0 40 IKAB CCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 2650526 MBXRRBMHVCWLOY-UHFFFAOYSA-N 443.016 5.504 0 40 IKAB Cc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 2688461 AORCEWIMVCFYKQ-UHFFFAOYSA-N 441.918 5.984 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3ccccc3F)c2cc1OC 2691312 PXIHXJJWGZIRQM-UHFFFAOYSA-N 427.479 5.716 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 3012817 LJYHGXUHYGLEGL-MSOLQXFVSA-N 436.522 5.796 0 40 IKAB Cc1ccccc1-n1c(CSc2ccc(Cl)cc2)nc2ccc(Cl)cc2c1=O 3050381 ZGRYNYOUAYICQO-UHFFFAOYSA-N 427.356 6.293 0 40 IKAB CCOC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(Br)cc2)c1C 3257592 MSBYOXUWPPAZEY-UHFFFAOYSA-N 444.350 5.970 0 40 IKAB Cc1nc2ccccc2n1CCc1nnc(SCc2ccccc2)n1-c1ccccc1 3851078 KMDPCHVMFYXHBE-UHFFFAOYSA-N 425.561 5.460 0 40 IKAB biogenic CCCCN(CCCC)CC(CN(CCCC)CCCC)OC(=O)Nc1ccccc1 4778083 MBSNCDFUFRHARJ-UHFFFAOYSA-N 433.681 6.408 0 40 IKAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 5093850 DUIQVZMYHHJIOJ-OAQYLSRUSA-N 425.960 5.094 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 5631425 AYNSZTKDERUHKJ-ZCHVDTBOSA-N 431.620 5.198 0 40 IKAB biogenic COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3nc4ccccc4[nH]3)s2)cc1 6016644 WZNADYROUVFJJN-UHFFFAOYSA-N 426.501 5.614 0 40 IKAB COc1ccc2c(-c3cc4ccc(OCc5ccccc5)cc4oc3=O)cc(=O)oc2c1 8790452 BJORXSAWBPSICA-UHFFFAOYSA-N 426.424 5.154 0 40 IKAB biogenic Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccncc4)c(C)c3cc2c1-c1ccccc1 8792041 YVTPJIUKDPTFKJ-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(OC)cc(OC)c4)cc3n2)cc1 8832177 CVYWQMGMJQSKER-UHFFFAOYSA-N 444.535 5.341 0 40 IKAB Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 9339417 OQJLTYVIAJRBSV-VWLOTQADSA-N 425.488 5.642 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCc1ccccc1 9355419 NYUZAHCAXRGFLD-LJAQVGFWSA-N 428.535 6.623 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(-c2nc3cccnc3s2)cc1 9403943 FPXBQDKPYVBWFU-UHFFFAOYSA-N 435.552 6.519 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1CC(F)(F)F 9417900 SIABETWZWXXCNX-UHFFFAOYSA-N 434.443 5.174 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)c1cc(-c3cccs3)nc3ccccc13)CC2 9449716 GUENOEWEWZRJJS-UHFFFAOYSA-N 430.529 5.179 0 40 IKAB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1OC 9461167 QUZMOJDAECAYKO-GDLZYMKVSA-N 447.538 6.288 0 40 IKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2c1 9525620 JGCZPYJODLXMHA-UHFFFAOYSA-N 429.570 6.370 0 40 IKAB CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 9556573 GMKFUSDAUBCYDZ-FQEVSTJZSA-N 432.501 5.015 0 40 IKAB O=C1CN(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c2ccccc2N1 9584993 UHODNSXQBLXNDU-UHFFFAOYSA-N 441.512 5.086 0 40 IKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1nc(Cl)ccc1Cl 9670555 IVPAZTXYSQKRBB-NRFANRHFSA-N 425.271 5.651 0 40 IKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)cc1Cl 9883449 XXPNGCGRUIOFDQ-SECBINFHSA-N 429.826 5.560 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c(C)n1C1CC1 9883590 BSDNUMMQHIUHSH-UHFFFAOYSA-N 443.981 6.333 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2nccs2)cc1 9969178 WGWVQQRYMYMXBN-UHFFFAOYSA-N 440.525 5.079 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CCCCCCC2)cc1Cl 10119267 QBNNYKSRJWFGHM-UHFFFAOYSA-N 438.955 5.680 0 40 IKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195730 UJYHWDBTVWNJPQ-RPLLCQBOSA-N 444.531 5.735 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 12195861 REHWOVJLBUKDGQ-AZGAKELHSA-N 448.950 6.380 0 40 IKAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccccc3OC)ccc21 12323710 JYYUNCWBNQBNHF-UHFFFAOYSA-N 447.564 5.016 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@H]1CCCC[C@H]21 12372528 MAXLXFSSOLYCRP-ISJBWFOZSA-N 447.531 6.003 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C3CC3)n(-c3ccccc3)n2)cs1 12567293 RAYNXESEVVLSOY-UHFFFAOYSA-N 447.589 5.578 0 40 IKAB Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)c1 12644187 ZPKXLQBCQBJDQU-RZDMPUFOSA-N 434.693 7.115 0 40 IKAB CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 12644650 YXDJYLBEZXKACR-UHFFFAOYSA-N 440.543 5.386 0 40 IKAB C[C@]12C(=O)N(c3ccc(Cl)cc3C(F)(F)F)C(=O)N1CCc1c2[nH]c2ccccc12 12866465 VHYGOVDMZZIZJZ-FQEVSTJZSA-N 433.817 5.080 0 40 IKAB biogenic O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1cccnc1 12871559 LBWMKUNZYHUQTQ-UHFFFAOYSA-N 431.361 5.419 0 40 IKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@@H](c3ccccc3F)C2)cc1 13027658 JJAVNCYWRNYGMF-JOCHJYFZSA-N 437.312 5.888 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 13040832 IZZCKGNTPOXILW-HXUWFJFHSA-N 433.533 5.457 0 40 IKAB COc1ccc(-c2csc3nc(C)nc(Oc4cc(C)ccc4Cl)c23)cc1OC 13063295 ACXJGMQUCFDGAE-UHFFFAOYSA-N 426.925 6.438 0 40 IKAB Cc1cccc(-c2cc3nc4c(c(NC5CCN(Cc6ccccc6)CC5)n3n2)CCC4)c1 13562653 YTARQNKXYHWWOB-UHFFFAOYSA-N 437.591 5.270 0 40 IKAB COc1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2ccccc2C)cc1 13688777 LLCLDUYYTNCSRU-NTEUORMPSA-N 447.332 5.636 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc(-c2nc3ncccc3o2)c1O 13828375 ZCFCKSKGEFHOPY-UHFFFAOYSA-N 445.862 6.070 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 14269302 NDYZINMYXGSWKD-UHFFFAOYSA-N 440.572 5.411 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@@H](c2ccccc2)c2ccc(F)cc2)c1Cl 14814244 VQWMAANBKGCQNG-QHCPKHFHSA-N 431.338 6.101 0 40 IKAB COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 15412179 LTRRCRTVRGGQTD-HHHXNRCGSA-N 442.559 5.557 0 40 IKAB O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1cccs1)(C3)C2)c1cccs1 15906549 HYBAAZFBLBZBIW-UHFFFAOYSA-N 442.650 5.336 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cccc(Cl)c1Cl 16383854 XXCBMYDGOHVRAC-UHFFFAOYSA-N 433.678 6.413 0 40 IKAB Clc1ccc(-c2nc(SCc3cc4c(cc3Cl)OCO4)nc3c2CCCC3)cc1 16429382 SMKIBYCWBJFRTK-UHFFFAOYSA-N 445.371 6.350 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 16740587 XUOCLBJLWCDMFO-LJQANCHMSA-N 447.420 7.197 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 19644374 KSOYNDRRWULJCV-UHFFFAOYSA-N 446.375 6.368 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2C)c2cccc(C)c2)cc1 20234917 SYTUPYPTKIAXAX-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20454082 ISNMYHVHEBKZRN-XMMPIXPASA-N 442.603 5.313 0 40 IKAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2cccc(Cl)c2)cc1OCC 22072034 INDOSJHLPDJXFE-UHFFFAOYSA-N 439.943 5.249 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)c(C)c12 22991855 YSWNNNTZOSUJEX-SFHVURJKSA-N 449.576 5.324 0 40 IKAB COc1ccc(CCN2COc3c(c4c(C(C)=O)c(C)oc4c4ccccc34)C2)cc1OC 23224629 LPDICZITDGMDNN-UHFFFAOYSA-N 445.515 5.509 0 40 IKAB CCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993081 KZLBXFSGECKHLS-SANMLTNESA-N 448.950 5.847 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 30847447 MTOGWHQJDHDLQF-SANMLTNESA-N 427.569 6.928 0 40 IKAB Cc1cc2occ(CC(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C 32753856 SRMXLRADZZXZNG-QGZVFWFLSA-N 427.566 5.030 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(O)cc(-c3sc(-c4ccccc4)nc3C)n2)c1 33170083 XLRPOYWMRUFTTI-UHFFFAOYSA-N 448.573 5.320 0 40 IKAB COc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 35314899 LXEPQUAYPLKGCV-IUXPMGMMSA-N 439.320 5.117 0 40 IKAB Cc1ccc2c(c1)c1ncn([C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccc(Cl)cc1 35400694 NZWPKKJYCPTVJT-SFHVURJKSA-N 427.935 5.971 0 40 IKAB CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@H](C)[C@@H]1C 36136636 VIRAINOWLHFODO-CSFCJLNVSA-N 448.607 5.422 0 40 IKAB COC(=O)c1c(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CCCC2 36622711 FOJFZBKGRIESIX-JLHYYAGUSA-N 442.606 5.063 0 40 IKAB CC(=O)OCC[C@@H]1SC(=O)N=C1N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 36633828 RCDGZWSJOUUUQB-PMACEKPBSA-N 441.940 5.078 0 40 IKAB O=C(Cc1ccc(NC(=O)NCc2cccc3ccccc23)cc1)NCc1cccs1 38489906 FFXYUGRZLAIHLA-UHFFFAOYSA-N 429.545 5.082 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)c1 57472777 YPIXCCCYXMBZNQ-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB CCC[C@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1 58203297 GCFJANZPPKHBLS-SANMLTNESA-N 433.552 5.269 0 40 IKAB Cc1ccc(-c2csc(C(=O)Nc3cccc(Br)c3)c2-n2cccc2)cc1 64472574 RFXGTMIASDBQJO-UHFFFAOYSA-N 437.362 6.529 0 40 IKAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccccc2C)nc1 67294726 GXIUELPULCKZON-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 89568172 MTYUYHPUIVGAOU-OAHLLOKOSA-N 431.916 5.207 0 40 IKAB O[C@](c1ccccc1)(c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 204894629 PPRQLSUUVLNCJT-AREMUKBSSA-N 429.357 6.517 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207017458 BHMZTIZWJDOBPU-CYBMUJFWSA-N 436.459 5.304 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 223380832 VSAUTSCXVCHNCI-FTJBHMTQSA-N 444.648 6.178 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 223770612 IKSAEEODPZJUOL-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 224108745 VJQCCGZQPIFSHG-DEOSSOPVSA-N 436.577 5.029 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C(C)(C)C 224169508 FHBOIWBKJQTUAZ-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)cc1 224308855 TWDBVJITISKVLS-UHFFFAOYSA-N 436.577 5.306 0 40 IKAB CCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OCC 224700256 BTBJBDWLTOPURC-UHFFFAOYSA-N 425.912 6.320 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224812570 KZWDXYOKCLUKHF-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2O1 225664556 YJICQQBLGGIVQK-UWFGVWCKSA-N 445.990 7.079 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 225718606 MLQQLUCCUBPFDN-HBVBNRCBSA-N 432.589 5.731 0 40 IKAB Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c1 226765818 CZBLDFHKAPJCPU-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CC(C)(C)CN[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257205390 AYUBXWZGDHGGBS-XXBNENTESA-N 434.455 6.510 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)C2)cn1 257271484 MYOAHZZKAKBCCN-FQEVSTJZSA-N 438.531 5.220 0 40 IKAB COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1Cl 408571225 AJWSJIVNQMMTTH-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2C)c1OCc1c(Cl)cccc1Cl 408573265 JMTBYNKVSRURLB-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1NC(=O)c1ccc(Cl)cc1 408605989 KOUONEFSIQPTLG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccccc1Br)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675794 KNFIXHISIYVEQP-UHFFFAOYSA-N 437.268 5.329 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1cccc(Cl)c1 408698263 OJTMVHBBJZAJRL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1-c1ccc(Cl)cc1 409099921 RRKYBAWMAGFRGY-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc2ccccc12 409134306 OPRGQDDFKLHIKS-UHFFFAOYSA-N 447.962 7.092 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2Cl)cc1 409171712 FQJLJYKRBWXJGQ-HHHXNRCGSA-N 438.958 7.014 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 409180579 XHZMLDUAQBQEFD-UHFFFAOYSA-N 429.299 5.921 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 409338567 MFODTAXVIFBZRT-UHFFFAOYSA-N 442.928 5.011 0 40 IKAB Clc1ccccc1CSc1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1 575615904 IZKUQFNCXLTEEY-UHFFFAOYSA-N 435.936 5.916 0 40 IKAB O=C1O[C@@]2(CCCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)C2)c2ccccc21 585304433 UQFRDKJKXNRICV-HHHXNRCGSA-N 445.490 5.239 0 40 IKAB COc1cc(C(=O)N2Cc3ccccc3NCc3ccccc3OC[C@@H]2CC(C)C)ccn1 643581916 DRPRIDBIUBCCBG-QHCPKHFHSA-N 445.563 5.152 0 40 IKAB O=C(Nc1ccccc1Oc1ccc(F)cc1)c1cccc(OCc2ccc(F)cc2)c1 2037843727 GCCWHVQVPXIGJH-UHFFFAOYSA-N 431.438 6.588 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 674329 WXAOCTBZBNFPPE-WBMJQRKESA-N 440.809 5.051 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C)Cc1ccccc1 900928 BEZYSGWCKLZIQT-OAHLLOKOSA-N 431.483 5.302 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1C 1371048 ARGTYRAGYRSDRY-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCC(=O)OC(C)(C)C)cc12 1463681 DVLDNZGOMRPCQG-UHFFFAOYSA-N 426.465 5.006 0 40 IKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Oc1cccc(Br)c1)C(F)(F)F 1891302 UFKUKYVTJBITPP-UHFFFAOYSA-N 428.126 5.761 0 40 IKAB CCCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(C)(c5ccccc54)[C@@H]3C2=O)cc1 2030646 PPOZJDHLKUGABS-FPWWFTSNSA-N 437.539 5.436 0 40 IKAB biogenic COc1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2105191 AYZPBTAUSFAGBA-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc3c(c2)OCO3)cc1 2246041 QPLFLUVJENXTIC-UHFFFAOYSA-N 436.515 5.721 0 40 IKAB C[C@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O 2249540 JCYWTLINEZPBDK-DYESRHJHSA-N 438.365 5.424 0 40 IKAB CC(C)Oc1ccc(-c2nc(Oc3ccc(Cl)c4ccccc34)c3ccccc3n2)cc1 2437293 PEWAENVMYHDYPH-UHFFFAOYSA-N 440.930 7.683 0 40 IKAB Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2-c2ccccc2)cc1 2524174 YCJFFRWTHPOYJB-UHFFFAOYSA-N 425.916 5.931 0 40 IKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc3ccccc3nc12 2666561 KXQIQCTYFATIJT-XZOQPEGZSA-N 425.454 5.616 0 40 IKAB O=C(CSc1nccc(-c2ccc(OC(F)F)cc2)n1)c1ccc(Cl)cc1Cl 2788943 HUWMOHWGTXPNHD-UHFFFAOYSA-N 441.286 6.027 0 40 IKAB O=c1cc(-c2ccc(Cl)cc2)oc2ccc(OCc3ccc(Br)cc3)cc12 2888809 IQIJWITWJJQXQW-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB O=C(Oc1cccc(Cl)c1Cl)c1oc2ccccc2c1CSC1CCCCC1 3302546 CEGZXBKAZMTTPJ-UHFFFAOYSA-N 435.372 7.525 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 3321233 BHJWPJZFYIAYNS-UHFFFAOYSA-N 436.027 6.171 0 40 IKAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(Oc4ccc5c(c4)OCO5)c23)cc1 3326728 JHCNXLSKCVQBBL-UHFFFAOYSA-N 445.544 5.865 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc(Br)c4)nc3c2)c1 4150503 WESRFNONMLCGQC-UHFFFAOYSA-N 437.293 5.908 0 40 IKAB CCN1/C(=C/C=C\C(C)=C/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 6134676 DPZUVOXAZZITDV-UHFFFAOYSA-N 431.650 7.198 0 40 IKAB Brc1ccc(C2=CSC3=NN=C(c4ccccc4)[C@@H](c4ccccc4)N23)cc1 8398212 BISJVTOFDAXMTH-JOCHJYFZSA-N 446.373 6.312 0 40 IKAB C[C@@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(=O)c2ccccc2)c1 8452355 YVIZRUUADPZGDZ-HXUWFJFHSA-N 432.519 6.377 0 40 IKAB CC(C)(C)OC(=O)[C@H]1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21 8665748 ZMNQSAJGWRXSPA-XMMPIXPASA-N 425.528 5.292 0 40 IKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2[C@@H](C)c2ccncc2)c(C)c1 8826413 RPLDGDDTXYPPND-SFHVURJKSA-N 429.549 5.303 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1c2c(nn1-c1ccccc1)CSC2 8909471 NEEOBLPWGXTYLV-UHFFFAOYSA-N 425.557 5.780 0 40 IKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1OCC 8919964 BAMKEYFCDFMTHU-KSFYIVLOSA-N 442.625 6.516 0 40 IKAB CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1 8922633 MVEHPHNDXUSVNY-AREMUKBSSA-N 449.934 5.055 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CCCn2cnc3c(C)cccc3c2=O)cc1 8940520 DJAAJAUXCLDEEU-UHFFFAOYSA-N 427.504 5.225 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1 9043280 WIIXLHIDJQYCGQ-MDZDMXLPSA-N 442.414 6.159 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(C[C@@H]2CCCO2)c1C 9130664 SHKPPZKHFLFZEG-KRWDZBQOSA-N 432.499 5.219 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\c3cccc(OCc4ccc(C)cc4)c3)NC2=S)cc1 9189167 PBVONIMSKGUOFW-LFVJCYFKSA-N 444.556 5.235 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl 9283490 OXUDHPYPJCMYRZ-FQEVSTJZSA-N 426.973 5.438 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 9409253 OOBLADCDXUSEBQ-AREMUKBSSA-N 439.515 5.920 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3o2)cc1 9553726 IEKKFTBDEMLMAN-UHFFFAOYSA-N 426.516 6.560 0 40 IKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc(C)c(C)c2)cc1 9847410 UHTUTEFMZPGRGR-UHFFFAOYSA-N 430.573 6.299 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C 10007632 HCPXJZFILNENFH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 10314874 PSZGCSMNYYEBPR-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(O)C/C(=C\c1ccc(-c2ccccc2Br)o1)c1nc2ccccc2s1 12565948 VZHAFAUBRMHQKF-ACCUITESSA-N 440.318 6.334 0 40 IKAB COc1ccc([C@@H](NC(=O)CNc2ccccc2N2CCCCC2)c2ccccc2)cc1 12577728 PIFLFGGDLBDPAU-MHZLTWQESA-N 429.564 5.003 0 40 IKAB CCOc1ccc(C(=O)N(C)[C@@]2(c3ccccc3Cl)CCCCC2=O)cc1OCC 12680197 JETYQRWADLHQRU-XMMPIXPASA-N 429.944 5.248 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@@H]2CCCC[C@H]2C)cc1 12784403 XJLKUMNLQWOWAE-WIYYLYMNSA-N 444.645 5.442 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F 12788197 WRVPBSCXGMQRFE-SFHVURJKSA-N 429.495 5.237 0 40 IKAB O=C(CSc1nnc2[nH]c3ccccc3n12)Nc1ccc(Oc2ccccc2Cl)cc1 12789299 AMWURORFGDFEDG-UHFFFAOYSA-N 449.923 5.387 0 40 IKAB Fc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)n3nc(C(F)(F)F)nc3n2)cc1 13011626 VLVTWTRBYPJPCA-UHFFFAOYSA-N 427.188 5.923 0 40 IKAB CSc1ccc2c(c1)N(C(=O)CN[C@H](C)c1ccc(Cl)cc1)c1ccccc1S2 13040193 UBSPXZWNXREMMC-OAHLLOKOSA-N 441.021 6.542 0 40 IKAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(C(C)(C)C)cc1)CCC2 13150528 OQSIMBLVJMPKNM-KNTRCKAVSA-N 442.559 5.312 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1sc(-c2ccccc2)nc1-c1ccccc1 15607384 UWSHZFVMMHNVQN-UHFFFAOYSA-N 443.528 5.696 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)c1OC 15881820 RASAXJNZVHVZIY-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB Cc1ccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4ccc(C)cc4)CC3)CC2)cc1 16291897 DLTBOIGCADTVIF-UHFFFAOYSA-N 446.635 5.878 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 16611239 AEGCNZKQQPOFFK-MRXNPFEDSA-N 429.545 6.135 0 40 IKAB O=C(c1cc(-c2ccncc2)nc2ccc(Cl)cc12)N1CCN(c2ccc(F)cc2)CC1 19645410 BSTZIDIMMFFHPJ-UHFFFAOYSA-N 446.913 5.052 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 20062040 URSRPKMPXLFPSS-UHFFFAOYSA-N 434.989 5.280 0 40 IKAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccc(Cl)cc1)Nc1nccs1 20182374 AUCFVMVRSOSTFD-UHFFFAOYSA-N 426.954 5.584 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccc(Cl)cc1)CCN(C)C3 20440098 FGSQENOSEDQNLO-UHFFFAOYSA-N 434.030 5.227 0 40 IKAB CSc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 20461561 JBFZNYWRBQYESB-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1OC 21789274 SKOWYWXIGFWKMZ-OAQYLSRUSA-N 444.531 5.146 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3occc3COc3ccccc3)cc2)n1 22378508 QABBBEVRGRBRIN-UHFFFAOYSA-N 431.517 5.669 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c(C)c1 23127023 FKLKMBSIYJQTLR-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB COc1cc(CN[C@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 25358889 DESOZMNQRVQKIS-MRXNPFEDSA-N 427.342 5.283 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCC(C)CC1 26118910 LTJVHBFJMSCYHD-UHFFFAOYSA-N 446.638 5.007 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 26433290 GBVAFPLGIPAILV-ZDUSSCGKSA-N 428.901 5.514 0 40 IKAB O=C(Nc1ccc(Cl)cc1)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 27642630 JNSGAKNBLCDOPK-UHFFFAOYSA-N 438.314 6.595 0 40 IKAB CCCCCCOc1c(Cl)cc(C(=O)Nc2ccccc2OC(F)F)cc1Cl 27795467 CHBOVMXAHSJDGE-UHFFFAOYSA-N 432.294 6.806 0 40 IKAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1C 28208701 ZGAUFDJGDMZWRT-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccccc1 28527498 UFCHKYKUHUSRMM-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB COc1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1NC(C)=O 32909963 ZIKFGQLTYSAAHR-UHFFFAOYSA-N 447.516 5.339 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1cccc(C)c1 33733196 UFUBMRWBAWIVLG-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c(C)c1 35108519 NUJLALRCYLFSGG-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Clc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 35146138 JYYAPAQSLFJFFL-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB O=C(CCSc1ccccc1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38926452 FXHMNOCJGDHRJL-UHFFFAOYSA-N 447.526 5.476 0 40 IKAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(C)cc4)ccc32)c1-c1ccc(Cl)cc1 40397425 HRVZPXCDRIOZBY-UHFFFAOYSA-N 428.923 5.284 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)c1 57487799 RWWOSJOMWISNNL-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB CCO[C@H]1CC(=O)O[C@@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]32)C1 67665407 YVEQEBOMQFZSIT-AGTQIICWSA-N 446.628 5.630 0 40 IKAB in-vitro Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1 72353670 YWKNROIRKRMSAS-FQEVSTJZSA-N 426.568 5.157 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(Oc3ncc(Cl)cc3Cl)cc2)cc1C 96305693 ZMRICAQRIDRLTK-UHFFFAOYSA-N 438.332 5.874 0 40 IKAB CCOc1cc2c(cc1/C=C1/SC(=O)N(Cc3cccc4ccccc34)C1=O)CCC2 98086332 NBRJPUGYYBCZIS-BUVRLJJBSA-N 429.541 5.964 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3ccco3)C2=C(O)C1 103523479 KOMGXIFITASVFW-SANMLTNESA-N 426.516 6.315 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106712918 JWMLTSUEOCZBOS-GRSHGNNSSA-N 436.360 6.265 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107043333 GVJNFEYYDMGQHH-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C1C)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118931321 VWSVBIDALISGLC-AWUROXJSSA-N 442.728 8.350 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)[nH]2)c1 216027478 BFYZMGCYENFCJG-UHFFFAOYSA-N 430.558 5.702 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccc(CSc2ccccc2)cc1 218813766 YIVVGEWWCPHESP-UHFFFAOYSA-N 428.351 5.759 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764346 NYFHEBSGLVQNFL-UHFFFAOYSA-N 436.939 5.557 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222624210 JLEBYIGHNCBTSC-HTAPYJJXSA-N 449.422 5.301 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222781706 VASMTGVFTNKHGI-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223054131 YILXEJNSONKPIK-SANMLTNESA-N 428.576 5.051 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224272351 KQRXCYIDHSYEED-LJQANCHMSA-N 429.004 5.025 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 224437205 BFCSAJAXJHVPIF-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1CSc1ccc(Cl)cc1 224674153 HXENPYAEYLAGSX-UHFFFAOYSA-N 433.907 6.562 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225558347 DFKNDMJOKDXPFS-NZQKXSOJSA-N 426.626 5.199 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225583450 FGNBCOZJCARZNR-QPPBQGQZSA-N 438.612 5.219 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3ccncc3)CC2)c1 257234366 GTFOFQQMDDQCLE-UHFFFAOYSA-N 441.619 5.407 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)nc1 257252646 JVONXKUXSOVBHJ-FQEVSTJZSA-N 426.560 5.324 0 40 IKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CCCC)n1 257319369 VSBVVSAXSJTMEQ-UHFFFAOYSA-N 440.971 6.477 0 40 IKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCCC)cc1-c1ccccc1OCC 257341135 ZIYLCZRPWURAIX-UHFFFAOYSA-N 436.552 5.832 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@H]4C)cc3)CCCC2)cc1 260814487 JLEYBZUFSTXSKC-HSZRJFAPSA-N 434.624 6.089 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408547846 NUBSBDJTYKHKHY-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1C 408549061 WHFJFCNQZAXCHS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1cc2c(ccc3ccccc32)o1 408629452 BLMYPBJQSCLPFL-UHFFFAOYSA-N 434.495 5.811 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)c(C)c1 408693658 BNPOXFCDUPTHKY-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703466 GCDHIJOPRAQGMH-VPSWZUQSSA-N 440.996 5.033 0 40 IKAB CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408771660 JYRMBGWAHRWPLE-RUZDIDTESA-N 432.545 5.112 0 40 IKAB Cc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1 408848743 YDGACHROLONFIG-RIYZIHGNSA-N 432.726 5.970 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409115116 KFAQAQMFRXJBCP-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB COc1ccc2ccc(OC)c(C[C@H]3SC(=O)N(Cc4ccccc4Cl)C3=O)c2c1 409162111 ROZCPXJIZOMEMW-OAQYLSRUSA-N 441.936 5.317 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O[C@H](C)CC)cc3)C2=O)cc1 409173464 NQVSJMMOWABTFN-QAIWHXNASA-N 438.549 5.101 0 40 IKAB CCC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 409178751 OGUGOXLBIHXHIF-UHFFFAOYSA-N 439.305 5.840 0 40 IKAB COc1cc(/C=C(\Sc2n[nH]c(C)n2)C(=O)O)ccc1OCc1cccc2ccccc12 409190613 SWXVEHLWVKQABD-XKZIYDEJSA-N 447.516 5.072 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(C(C)C)cc3)sc2C)cc1 409194937 NEAWGMLAGMAKFA-UHFFFAOYSA-N 436.577 6.242 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1Cl 409231131 HTZYESFLAVDHNR-LICLKQGHSA-N 443.242 5.049 0 40 IKAB O=C(c1ccccc1)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570514 HQLMYTYHINIYEW-UHFFFAOYSA-N 446.635 5.426 0 40 IKAB Cc1ccsc1CN1CCC(N2C(=O)NCCc3ccccc3[C@@H]2c2ccccc2)CC1 1615528801 CEGBGHPSIHOJNS-SANMLTNESA-N 445.632 5.378 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1C 660551 WCYNJBYSRYHNOE-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccc(Br)cc1 725649 DCRJMXDREBETBC-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CC1(C)CC(=O)c2c(oc3ccc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)cc23)C1 944082 VZBURBUMTIMURA-UHFFFAOYSA-N 425.550 5.686 0 40 IKAB Cc1ccccc1N[C@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 1653812 OYHXPMDLQJEAAI-SANMLTNESA-N 429.456 7.457 0 40 IKAB CCCCOc1ccc2c(=O)c(Oc3ccc4ccccc4c3)c(C(F)(F)F)oc2c1 1771742 CVSVWXYXKYLEJE-UHFFFAOYSA-N 428.406 6.936 0 40 IKAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1cc(Cl)ccc1Cl 1789826 BAVJQLIVVPIYKX-SNVBAGLBSA-N 438.405 5.996 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)c3ccccc3)cc2)cc1C 2079648 KTNHCIAHDIXWTO-UHFFFAOYSA-N 445.515 5.631 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc(C)c1CC 2084332 VFEMHCUWZMALCS-NRFANRHFSA-N 439.602 6.268 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)oc3cc4oc(=O)c5c(c4cc23)CCCC5)cc1F 2282132 YSBUXCGYAZJGKY-UHFFFAOYSA-N 440.470 6.900 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2336374 GDLVQJKUTRBHOX-IBGZPJMESA-N 447.627 6.002 0 40 IKAB CC(C)Cn1nc(C(=O)Nc2nc(-c3ccccc3Cl)cs2)c2ccccc2c1=O 2657346 QBCKLHNDHOEJMJ-UHFFFAOYSA-N 438.940 5.082 0 40 IKAB CCc1nnc(NC(=O)c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)s1 2664235 QRNKXPCDADCWJV-UHFFFAOYSA-N 438.336 5.247 0 40 IKAB CCCN(Cc1ccccc1)C(=S)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 3057190 XNEUGGPNCBOSRB-UHFFFAOYSA-N 434.561 5.523 0 40 IKAB Cc1nn(C(=O)C(c2ccccc2)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 3185321 LXHJGLJNGBNPNO-UHFFFAOYSA-N 432.976 6.777 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1nc2ccc(Br)cc2s1 3232345 XLHOXFVNGWRSBK-UHFFFAOYSA-N 436.381 5.399 0 40 IKAB O=C(OCC(=O)N1CCCc2ccccc21)c1ccccc1OCc1ccccc1Cl 3261248 SLNRETFEKXTPAT-UHFFFAOYSA-N 435.907 5.055 0 40 IKAB Clc1ccc(-c2nc(N[C@@H]3CCCc4ccccc43)c3c4c(sc3n2)CCC4)cc1 3325045 SBZSQGXBNJBOAJ-HXUWFJFHSA-N 431.992 6.990 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3411869 QNJHKMFWSYHZFF-GJZGRUSLSA-N 442.968 5.563 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc2c(cc1Br)OCCO2 3433835 FMUQPICBJFIHSF-UHFFFAOYSA-N 438.321 5.381 0 40 IKAB Cc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)oc3c(C)cccc3c2=O)c1 5030924 WEJFGSYPZNPHSX-UHFFFAOYSA-N 425.528 6.627 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccccc2)nc2c(C)c(Cl)ccc12 8383676 AUGUYTKSKNEBRC-UHFFFAOYSA-N 428.963 7.241 0 40 IKAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 8439200 MQLQHOHSXSIVMV-UHFFFAOYSA-N 435.929 5.297 0 40 IKAB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@@H](c3ccccc3)C2)c(OC(C)=O)c1 8684632 NHOPCFDQUMPFTB-XOJXFWDVSA-N 440.499 5.012 0 40 IKAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O 8717822 PCJQCZSDQZNHIC-GFCCVEGCSA-N 444.343 5.632 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8755563 UEIFTMNHCNFUSX-QGZVFWFLSA-N 433.914 5.706 0 40 IKAB Cc1cccc(Cn2cc3c(=O)n(Cc4cccc(Cl)c4)nc-3c3cc(F)ccc32)c1 8757148 DUYBAEUPGLSKIV-UHFFFAOYSA-N 431.898 5.500 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4cccc(Cl)c4)N3C2=O)c1 8917886 XTRARPMVPVDXHB-UPVQGACJSA-N 441.918 5.613 0 40 IKAB biogenic Cc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1C 9064517 ZVVHIYWLGOUDLK-UHFFFAOYSA-N 442.540 5.512 0 40 IKAB COc1cccc(COc2ccc(-c3n[nH]c(C)c3Oc3ccccc3OC)c(O)c2)c1 9130737 NBQSDOABCRIQOY-UHFFFAOYSA-N 432.476 5.479 0 40 IKAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1C 9233998 ZAZJFXUZKAACKN-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccccc2)cc1 9307663 RHVYCQIGIOXOGY-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB CCOc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)cc1 9329924 KYPYZIUXAPIWOD-RUZDIDTESA-N 427.479 5.673 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 9355431 FYOSQKPOQONCFE-LJAQVGFWSA-N 446.525 7.028 0 40 IKAB Cc1ccccc1/C=C1\SC(=O)N[C@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 9431902 DPFINXDAQAEMFU-QNIXBDOOSA-N 439.540 5.690 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC 9506738 GJBDSFMJOLYIQI-XJKSGUPXSA-N 443.638 5.728 0 40 IKAB COc1cccc(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)c1 9514648 ZEMFZHTXHPTNRF-QGZVFWFLSA-N 426.561 5.254 0 40 IKAB C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC(=O)Nc1cccc2ccccc12 9591990 HPZDJKSOLYSLAF-AWEZNQCLSA-N 430.335 5.044 0 40 IKAB Cc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1Cl 9606496 FATPFCKTVSKHMW-HXUWFJFHSA-N 428.294 6.692 0 40 IKAB COc1cccc(NC(=O)[C@@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9615683 VGPZSONKARCIAJ-QFIPXVFZSA-N 430.533 5.056 0 40 IKAB COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)c1 9660214 NGMLBTRBKZBJQQ-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccccc2)n1-c1ccccc1 9668979 PCUJFNOBCYHCSQ-IBGZPJMESA-N 428.561 5.359 0 40 IKAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 9669692 GDLVVNKURMAOJZ-QFIPXVFZSA-N 442.540 5.270 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 9675940 NUWTXISFRAMKOF-UHFFFAOYSA-N 435.527 6.343 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 12565547 QFBGLAUKNDIICH-QGZVFWFLSA-N 445.563 6.680 0 40 IKAB CCn1c(SCC(=O)c2ccccc2OC)nc2scc(-c3cccs3)c2c1=O 12682300 YLFCAHZVHJPZFZ-UHFFFAOYSA-N 442.587 5.190 0 40 IKAB C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C1 12791376 KKTXWHSTEFWTDB-KRWDZBQOSA-N 440.590 5.088 0 40 IKAB COc1cccc(/C=C/C(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)c1OC(F)F 12886299 ZSYVLZUZFSCGPA-NTEUORMPSA-N 442.389 5.286 0 40 IKAB O=C(OCc1cc(F)cc2c1OCOC2)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 12897513 BETLMHMTFGZPQJ-ROUUACIJSA-N 427.497 5.319 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3ccc(C(C)(C)C)cc3)c2n1 13096333 NYKNGJHOURTACK-UHFFFAOYSA-N 445.390 6.185 0 40 IKAB O=S(=O)(NC[C@@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccccc1 13150218 JFODNCYASWUYJD-HXUWFJFHSA-N 426.588 5.108 0 40 IKAB C[C@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@H]1C 13579167 IIOAHCKQGJYWKY-MSOLQXFVSA-N 447.629 5.954 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCCCC3)cc2)sc2c1CCCC2 13678123 UHEAIWMYCDSDIM-UHFFFAOYSA-N 426.582 5.042 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 13999627 KXFKPFXZZDVXCU-FQEVSTJZSA-N 430.548 5.627 0 40 IKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)o1 15987426 OPCHFKNCVNQVQC-GOSISDBHSA-N 429.517 5.310 0 40 IKAB O=c1[nH]c(/C(Cl)=C/c2ccc(Br)cc2)nc2scc(-c3cccs3)c12 16043701 BLDRURCLUSZMEJ-JYRVWZFOSA-N 449.782 6.213 0 40 IKAB COc1ccc(C)cc1C(=O)CCCCCCCCCCC(=O)c1cc(C)ccc1OC 16284681 CLDMLIWCBLWKCE-UHFFFAOYSA-N 438.608 7.287 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1 16734290 TZTOGFCIRKPVAN-UHFFFAOYSA-N 442.471 5.423 0 40 IKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 16807638 SFHLRMPNMFQXKA-UHFFFAOYSA-N 446.572 5.868 0 40 IKAB COc1ccccc1-c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl 17094287 KISDPWIHAUHCDV-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB Cc1ccc(-c2nn(-c3nc(-c4ccccc4)c(C)s3)c(-c3ccc(C)cc3)c2C)cc1 17099687 GZYIEAGCCONCOR-UHFFFAOYSA-N 435.596 7.563 0 40 IKAB Clc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17189445 HEIHRVCPZGAGSX-UHFFFAOYSA-N 426.911 5.825 0 40 IKAB C[C@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2S1 17525466 OUYYMYUADJOXNR-INIZCTEOSA-N 428.985 5.110 0 40 IKAB CCc1onc(C)c1C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521106 OQQHLTZNZIRWBE-MRXNPFEDSA-N 435.553 5.018 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 19637660 ORSJLAFNGTYYLL-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3)c2C)cc1 19645652 SNDWMYQNRNLJIE-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694612 OONJHMAOQXQBJH-QFIPXVFZSA-N 448.542 5.033 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cccc(Cl)c3)oc12 20285556 AQFJFOQUECNFGX-BZZOAKBMSA-N 439.920 5.468 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20486000 LNUNBSRMKRTQNL-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)CC(=O)Nc3cccc4ccccc34)c(C)c12 24856512 HZTNASOKZLAGNE-UHFFFAOYSA-N 444.560 5.049 0 40 IKAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1ccc(F)cc1 28284439 VPLBDFNTGJRTFD-UHFFFAOYSA-N 427.497 5.284 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)oc2c1 28292307 BMNPQBTXTHLNMV-QHCPKHFHSA-N 448.607 5.459 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)C(/C=C\c2ccccc2)C(C(=O)Nc2ccccc2)=C(C)N1 31817028 PTQBOWVVDUQGOG-HNENSFHCSA-N 449.554 5.745 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c1C 35535103 ZHORDEJFMUGINL-IOZGHAEBSA-N 437.580 6.208 0 40 IKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c1 35648099 ZQPLBAKYXDCSHL-ODLFYWEKSA-N 443.355 6.953 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 36618879 HGJAVMLAHQASRB-UHFFFAOYSA-N 434.586 5.724 0 40 IKAB CC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 39331898 XRPYRCCVSZYAQT-UJSHJDKLSA-N 428.657 6.893 0 40 IKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 44936865 MUKFJJUBBCCMBJ-QHCPKHFHSA-N 433.423 6.109 0 40 IKAB CCCCCn1c(SCc2ccc(N3CCCC3=O)cc2)nc2ccsc2c1=O 67259662 ZLNCZQKOYMEIGK-UHFFFAOYSA-N 427.595 5.067 0 40 IKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5Cl)n4ccn3n2)cc1C 67260650 GMYCHCOTEMBHJX-UHFFFAOYSA-N 437.931 5.746 0 40 IKAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(-c3ccc(Cl)cc3)ccc12 72265534 NTUGLPQOMLUFJD-UHFFFAOYSA-N 443.753 6.192 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc2nc1C 72356483 SLCIKVZMYXYNIO-NRFANRHFSA-N 440.522 5.468 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)n2)sc1C 72375409 QUSDDSMBJVMDIU-FQEVSTJZSA-N 446.580 5.071 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(-c4nc5c(Cl)cccc5[nH]4)cc3)cc2)no1 78796671 NOGAMUVZVGOCFO-UHFFFAOYSA-N 429.867 5.494 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1=O 101050701 DNRSHPPENRRNNQ-PUHATCMVSA-N 432.907 5.008 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5ccc(Br)cn5)(C4)C2)C3)cc1 101132391 CJWWQJMPLQYICM-PQJGELLGSA-N 425.370 5.629 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222624559 QQVLTJAKAXYJBP-VGSWGCGISA-N 449.422 5.301 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 223029395 OLJHIGUQVRWTQI-OALUTQOASA-N 447.044 5.214 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 223253297 IFXWRCMCUSGGJF-PPHZAIPVSA-N 444.600 5.514 0 40 IKAB CCC[C@@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223425622 XZPYGGIDLVHMJH-OAHLLOKOSA-N 438.977 5.307 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 223446675 LHMFTUPJJOMYQG-QFIPXVFZSA-N 442.575 5.050 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 223532668 OCTBWEPBFYQJCR-JWQCQUIFSA-N 445.636 5.573 0 40 IKAB O=C(NCCOc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2F)CC1 223578867 BPFCNRYESDOWIN-UHFFFAOYSA-N 440.946 5.040 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223643848 LVKUXOQLOREUSK-RUZDIDTESA-N 438.612 5.221 0 40 IKAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 223728044 KVHZHOXJWXEBDA-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 223913319 BDYHVAZCVRVSPC-MRXNPFEDSA-N 435.395 5.042 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 224006217 ADWAPTJZNNXWRE-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 224086651 NEQYWQZRVQEPGM-CQSZACIVSA-N 439.358 5.007 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224158097 IEMNJKIKWQMGMV-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(-c3ccccc3)cc2)c1 224215874 QPVFHFBSHBZRHD-UHFFFAOYSA-N 437.539 6.756 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1C 224256986 QXUGGBZOONSQHV-MOPGFXCFSA-N 444.423 5.700 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 224459511 KWDXZPMYNRAYQF-GOTSBHOMSA-N 445.979 5.157 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(Cl)cc1 224501233 INUSPUWOFNPEJY-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224519797 JIZMNUKWUFAKFA-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3cccc(CN4CCOCC4)c3)cc2)cc1 224708019 RJHBEBYPOKDGBB-UHFFFAOYSA-N 446.616 5.050 0 40 IKAB Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224721361 YEDMLIKQHYJXMT-JOCHJYFZSA-N 436.596 5.020 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 224844368 ZBDJRGUVGKTWGI-LJQANCHMSA-N 436.983 5.369 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225100123 LXOXRQUEVIRSHO-QFIPXVFZSA-N 447.044 5.546 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225114555 VFPPANZMWYLCJK-FCHUYYIVSA-N 436.640 5.557 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(C)c1 225473952 WXVQPYHWXMKOJV-QFIPXVFZSA-N 432.967 5.276 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1C(F)(F)F 225953810 FBUAGEGXZGDFIJ-UHFFFAOYSA-N 429.479 5.392 0 40 IKAB Cc1cc(Nc2ccccc2)nc2cc(OC(C)C)c(S(=O)(=O)Nc3ccccc3)cc12 227148834 ZKLIQMRWMSRZEH-UHFFFAOYSA-N 447.560 5.875 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1 257226150 FJIMYJAVUBMNIE-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2s1 257300088 RSVLNSRPVJXGEE-IBGZPJMESA-N 447.991 6.340 0 40 IKAB CCCCc1ccc(NC(=O)c2cc3c(N4CCCC4)nc(SC)nc3s2)cc1 408622512 QXKPEFXCXHQLQB-UHFFFAOYSA-N 426.611 5.608 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(C)c2)cc1 408698071 NGABERQXCOZGNU-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 408803678 RZLSNXNLSQDTDA-UHFFFAOYSA-N 439.900 5.370 0 40 IKAB O=C(Nc1ccccc1C(=O)O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408882080 PFANPKNMMZLIFN-UHFFFAOYSA-N 428.532 5.092 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)CCCOc1ccc(Cl)cc1Cl 408911403 JGMIOFSYZOMMNL-UHFFFAOYSA-N 445.184 6.677 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(-c3ccc(Br)cc3)c12 409055087 JRKIYVLMKDTPID-UHFFFAOYSA-N 440.344 6.825 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc1CC2 409057011 OIXBZOXPEKUKEP-UHFFFAOYSA-N 426.541 6.145 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccccc1Cl 409119898 USRLYEMVRXXMOL-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)Nc1cccc(Cl)c1 409163889 ZCANGNMRYUDTCY-OVCLIPMQSA-N 441.723 5.322 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409167396 JNFNPJYFCOFDFA-KWKXUMAYSA-N 446.953 7.028 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2)o1 409197885 RAKDLQYVVKTJNM-UHFFFAOYSA-N 430.209 6.437 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)cc1 409229084 JNJTZXHWLBRJSW-MFKUBSTISA-N 435.527 5.399 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1=O 643566602 VAEPLIHDPWXBLF-UHFFFAOYSA-N 441.015 5.186 0 40 IKAB Cc1cnn(CC(=O)N2CCCCCCCCN(Cc3ccccc3)c3ccccc3C2)c1 643569288 RTPSNNFRZPHPAT-UHFFFAOYSA-N 444.623 5.581 0 40 IKAB Cc1cccc(C(=O)N[C@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 836721 IPJIOHRDGNBNFO-QGZVFWFLSA-N 444.815 5.025 0 40 IKAB O=C(CSc1nnc(-c2ccccc2O)o1)N1c2ccccc2Sc2ccccc21 873617 SKYYYFJDZNOAAI-UHFFFAOYSA-N 433.514 5.364 0 40 IKAB CCOc1ccc(C(=O)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1359209 MTMNVUVCPYALHO-UHFFFAOYSA-N 432.545 5.139 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 1859695 OJTCBUPOGPSUGD-CYBMUJFWSA-N 444.000 6.521 0 40 IKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1NCCOC(=O)c1cccs1 1912342 FMDQZRZTHSGIGF-UHFFFAOYSA-N 439.320 5.049 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(=O)oc2c1 2206710 POTPUWNWTSKXOG-UHFFFAOYSA-N 445.371 6.737 0 40 IKAB CC(C)CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2251324 KPTNDWIPRHUORQ-UHFFFAOYSA-N 434.605 6.058 0 40 IKAB CCCOc1ccccc1/N=c1\ssc2c1-c1cc(OCC)ccc1NC2(C)C 2282841 AUUMJSITYQIWJT-GYHWCHFESA-N 426.607 6.557 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 2348742 SXIZZBSOFVMAHS-KRWDZBQOSA-N 428.488 5.386 0 40 IKAB Nc1c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc2n1C1CCCCC1 2370906 SUPUWHIEBUIAEH-UHFFFAOYSA-N 440.956 5.158 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccc(C)cc2)cc1 2447200 MBTSGJJMXCOCHW-UHFFFAOYSA-N 446.551 5.729 0 40 IKAB CCc1cc([C@@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551894 ORDCFVCSMZIXAM-HSZRJFAPSA-N 439.024 6.792 0 40 IKAB c1ccc(Oc2ccc(Nc3nc(-c4ccc(C5CCCCC5)cc4)cs3)cc2)cc1 2911878 AWXAJFGOFLKFKB-UHFFFAOYSA-N 426.585 8.394 0 40 IKAB Cc1cccc(N[C@@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 3147798 XZAXECKKIPVYKN-HNNXBMFYSA-N 436.564 5.296 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3237257 UELARNXQRDLFAI-UHFFFAOYSA-N 446.481 6.524 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccc2ccccc2c1 3254052 FIMFRQYNBDHYMV-UHFFFAOYSA-N 445.954 6.050 0 40 IKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1c(Cl)cccc1Cl 3276370 HHQYEIOZSXZEDK-JLHYYAGUSA-N 438.357 5.839 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3ccc(C)cc3)ncnc21 3658716 MENUGIAIIZDBKX-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB O=S(=O)(Nc1ccc2n[nH]c(Cl)c2c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 4352773 GRGGGWAQBJFQCE-UHFFFAOYSA-N 443.756 5.055 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)c1 4557676 NKSADPZTUJXUFB-UHFFFAOYSA-N 429.582 5.641 0 40 IKAB O=C(C[C@@H]1CCC[C@@H](CC(=O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 5082450 SUJNXAOXYNOELZ-SVBPBHIXSA-N 425.572 5.998 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)c1 6146687 SMZREUJKQIUVKG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(C(=O)NCCCCCCCCCCCCNC(=O)c2ccc(C)cc2)cc1 6204302 XYLHXTHVOFSMFO-UHFFFAOYSA-N 436.640 6.364 0 40 IKAB Cc1ccc2cc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)c(=O)[nH]c2c1 6409500 DMASXFRZSPWKCE-UHFFFAOYSA-N 444.984 5.014 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1 8452482 ZIAURQQOGBMZFN-UHFFFAOYSA-N 433.266 5.402 0 40 IKAB O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)cc2Cl)c[nH]1 8781674 WRNGRJNYRDRJHH-UHFFFAOYSA-N 439.129 6.054 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844042 YFEWHYYLXSGVGR-UHFFFAOYSA-N 435.405 5.787 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1coc2cc(C)ccc12 8868154 IACBKGQSZMXTOE-UHFFFAOYSA-N 433.529 6.136 0 40 IKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 8892696 UFHHJUYDSWAKDC-JXFKEZNVSA-N 445.415 6.868 0 40 IKAB Cc1cc(=O)oc2cc(Oc3ncnc4scc(-c5ccc(C(C)C)cc5)c34)ccc12 8898676 XLAOKIXHMBPQGL-UHFFFAOYSA-N 428.513 6.689 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(OC)ccc4ccccc24)N3)C1 8919940 TVOSNIIORABCIE-WAIKUNEKSA-N 434.605 6.880 0 40 IKAB CCCCc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9224060 AZJFOGOCOHKQQD-UHFFFAOYSA-N 442.567 5.003 0 40 IKAB COc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(C(C)C)cc2)n2ccccc12 9316696 YPZFWKOBDUBVKL-UHFFFAOYSA-N 427.504 5.137 0 40 IKAB CC(C)c1ccc(-c2noc(CSc3nnc([C@H]4COc5ccccc5O4)o3)n2)cc1 9448165 WYASJQHCTPSOBT-GOSISDBHSA-N 436.493 5.048 0 40 IKAB COc1cccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)c1 9580914 WYHDLGOCLFNQKK-UHFFFAOYSA-N 434.543 6.356 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccc(Oc2ccccc2)cc1 9730303 DBJVJPCQDGTOBU-UHFFFAOYSA-N 443.532 5.198 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c1 9752467 UDEJIRQJRKETRB-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB Cc1sc(NC(=O)c2ccccc2S(C)(=O)=O)c(-c2nc3ccccc3s2)c1C 9762053 GFTJBFIADKXFBV-UHFFFAOYSA-N 442.587 5.297 0 40 IKAB COc1cccc(-n2ccnc2SCc2csc(-c3ccc(OC)c(OC)c3)n2)c1 11199275 ZYIWZEXKIKUZIT-UHFFFAOYSA-N 439.562 5.314 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4nn(-c5ccccc5)ccc4=O)cc3)sc2c1 12111550 QMJHQWTXJMWQJJ-UHFFFAOYSA-N 438.512 5.070 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4cccnc4Cl)n3)ccc21 12220063 DYQZRRPVXOYMQR-UHFFFAOYSA-N 440.956 5.046 0 40 IKAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC 12418668 FHCDSSAQYVTDRX-QXWFJRNPSA-N 445.987 5.234 0 40 IKAB CCc1nc(S[C@@H](C)c2nnc(-c3cccs3)o2)nc(N)c1-c1ccc(Cl)cc1 12564088 INOQWENHHHVPFX-NSHDSACASA-N 443.985 5.906 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)C12CC3CC(CC(C3)C1)C2 12656608 NXXBNZZHLPZYEX-UHFFFAOYSA-N 430.617 6.157 0 40 IKAB Cc1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)nc1-c1cccs1 12710503 KUGLSYCZXSCXIP-UHFFFAOYSA-N 436.587 6.141 0 40 IKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccccc1Br 12914464 MOPNHGSCLYEGLK-LJQANCHMSA-N 433.396 5.158 0 40 IKAB CCc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)n2)cc1 12982314 MCLMSRVGAKNCGR-FQEVSTJZSA-N 446.576 5.595 0 40 IKAB CN(Cc1ccccc1)[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 13040475 ARJPLBGJSZFOEU-OAQYLSRUSA-N 432.873 6.171 0 40 IKAB Cc1cccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)c1 13576691 HOMHSNWJLGZRMJ-NRFANRHFSA-N 431.517 5.063 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1 13634739 JNRGDUHTRCCVDK-DEOSSOPVSA-N 433.552 5.847 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N1CCN(C2=Nc3ccccc3Oc3ccccc32)CC1 13726051 XBKTULFOKAYPNH-UHFFFAOYSA-N 432.911 5.374 0 40 IKAB Cc1cc(Cl)ccc1NC(=S)N=[P@@](c1ccccc1)(N1CCOCC1)C(C)(C)C 15634722 KRQAFNJNEBIIEK-NDEPHWFRSA-N 449.988 5.918 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 15945750 VORJTHCALATLOZ-WLRWDXFRSA-N 432.973 6.100 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3)nc2c1 16610726 LZMXQWAPVGBTGR-GOSISDBHSA-N 428.532 6.643 0 40 IKAB C/C=C/c1ccc(OCCOC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 17041497 SKTQSHDZMDDWHT-ONEGZZNKSA-N 429.822 6.028 0 40 IKAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC2CCCC2)C1 19448801 ITYNVLLXBAWKDD-NDEPHWFRSA-N 447.623 5.005 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(Cl)c3N3CCCC3)o2)cc1Cl 19633390 CDOHXKODJIDELY-ZRDIBKRKSA-N 441.358 6.814 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cccc(OC)c3OC)c2)cc1 19691383 HQBDRCOHOVYBQE-QHCPKHFHSA-N 432.520 5.060 0 40 IKAB O=C(c1ccc(Br)cc1)N1C(=S)C(c2ccccc2)=NC12CCCCC2 20152308 FSUWFNBBNIVQGT-UHFFFAOYSA-N 427.367 5.382 0 40 IKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)ccc1OCc1ccc(Cl)cc1Cl 22076254 KNLFZDYGJNMHHM-UHFFFAOYSA-N 438.439 7.276 0 40 IKAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4o3)C2)c2cnn(C(C)C)c2n1 24693687 MYAOKNCRDXCSCX-QGZVFWFLSA-N 431.540 5.297 0 40 IKAB O=C(NC1CC1)c1ccc(CN(Cc2nc(-c3ccccc3)c3ccccc3n2)C2CC2)cc1 24865738 GBQVGOFRIPZLRI-UHFFFAOYSA-N 448.570 5.354 0 40 IKAB C[C@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C 26240784 JIXVFDDGRDNDAW-IIBYNOLFSA-N 443.567 5.099 0 40 IKAB O=C(NC1CC1)c1ccc(CN(Cc2ccco2)Cc2ccccc2Br)cc1 26926683 GAYDIZDBJJRGMA-UHFFFAOYSA-N 439.353 5.137 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCO4)c12 29797004 ABIQMEORTOLHCE-SFHVURJKSA-N 447.516 5.008 0 40 IKAB Cc1ccccc1OCc1nnc(SCc2nc(-c3ccco3)no2)n1-c1ccccc1 32754537 WWBGKZHQXGQAQV-UHFFFAOYSA-N 445.504 5.090 0 40 IKAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c1 34806350 QRHQUZPPPOYXTC-UHFFFAOYSA-N 435.549 5.429 0 40 IKAB Cc1cccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1 34837765 LRQAQCGRHUCZOA-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB COc1c2c(c(OC)c3ccccc13)[C@@H]1O[C@H]2[C@H]2C3c4ccccc4C(c4ccccc43)[C@H]21 37246246 BPGDPTLAGQOQTD-JZUJEJOVSA-N 432.519 6.506 0 40 IKAB C/C=C(/C)c1cc(O)c(C)c(O)c1C(=O)Oc1cc(/C(C)=C/C)c(C(=O)O)c(O)c1C 39559955 LFTHRDXERPBJOF-NTLHZVPKSA-N 426.465 5.184 0 40 IKAB biogenic,in-vitro CCCCC1CCC(C(=O)Nc2nn3c(-c4ccc(OCC)cc4)nnc3s2)CC1 41108782 HMSLXKMQVFZGFP-UHFFFAOYSA-N 427.574 5.187 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2)cc1 44904074 ZMLVKSBRBJZHLO-QHCPKHFHSA-N 430.504 5.015 0 40 IKAB CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=S)N[C@H]1c1ccccc1 59596930 UNQAABGYZZSZBL-IBGZPJMESA-N 435.376 5.262 0 40 IKAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c(Cl)c1 59843149 SQOHNRGQNAOOJI-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB CCC[C@H](NC(=O)c1ccc(Cl)c(NS(C)(=O)=O)c1)c1cccc(C(F)(F)F)c1 60367801 PZLRSWHQYZYOJJ-INIZCTEOSA-N 448.894 5.002 0 40 IKAB Clc1cccc(-c2nnn3c2nc(N2CC=C(c4ccccc4)CC2)c2ccccc23)c1 67262691 ISGBSAOYUNOUOV-UHFFFAOYSA-N 437.934 5.892 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 89761480 ACIVDRLTBWWRHP-KDHJQZJWSA-N 442.588 5.335 0 40 IKAB CCOP(=O)(OCC)[C@](NC(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F 91252838 GZSDOGMDDCCTGM-LJQANCHMSA-N 445.374 5.594 0 40 IKAB CC(=O)O[C@@H]1CCC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H]12 123235866 PKUJASLHJROUFW-JMOFALFHSA-N 430.717 8.039 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 222782416 OLFOZCVFLHHZLN-QFIPXVFZSA-N 449.422 5.566 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222848969 HRMBGDSIYVBESZ-VQTJNVASSA-N 432.376 6.029 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COc1cccc(C)c1 224112160 ZWJDKSHUYCBYKX-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224186263 HTTPLFFKJKEVJM-SANMLTNESA-N 442.603 5.092 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1N(C)S(=O)(=O)c1ccccc1 224192585 QIFAPZYOTUGSIF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1OC 224241994 SLEUUVMEFCTCNC-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1 224292470 UYDCJBXSTUWFQJ-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224374563 KOFXVWGLMRTEJT-FTJBHMTQSA-N 444.648 6.689 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 224381474 IUOFYAJESRDLSH-UHFFFAOYSA-N 444.358 6.210 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc2c(c1)CCCC2)c1ccccc1 224968895 HTLMBWJCPDBZSF-IBGZPJMESA-N 428.532 5.074 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1C1CCCC1 225025378 KVCXLJVVIBZWBR-CLJLJLNGSA-N 438.600 5.941 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225056455 LRNDROMVXAIUQX-LEWJYISDSA-N 426.626 5.118 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225095620 SGLBEKLYLHKZMA-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225132348 FKHGVJVVINHGRB-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225267272 SIGCNZYTAZSEMK-UHFFFAOYSA-N 439.902 6.928 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225329076 MCKKNYCNMVFSAB-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225555532 ZOEUYZGYIGLWPW-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 225629472 KZHZQPLDYSQJBW-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc3ccccc23)cc1Cl 225809185 VXCJTVCKGZBQEN-UHFFFAOYSA-N 426.969 5.589 0 40 IKAB COc1ccc(OCC2=NN=C(SC(=O)N(c3ccccc3)c3ccccc3)CO2)cc1 226820607 WBXWCZULTUDBHD-UHFFFAOYSA-N 447.516 5.508 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]54C)[C@H]2[C@H]1OC3 245380356 XGDVSJLOTVQNKY-JLFCHQBESA-N 440.712 7.446 0 40 IKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccc(Br)cc1 408560944 FZOIJCYHVSTJSC-UHFFFAOYSA-N 427.245 5.844 0 40 IKAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Cl)c(Cl)c1 408576071 PMZHPHOCIJBMFL-UHFFFAOYSA-N 436.360 6.029 0 40 IKAB CN(c1ccccc1C(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 408579730 JVGCVPDLTOGRES-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCOC(=O)COc1ccc2ccccc2c1/C=C(\Sc1nc2ccccc2o1)C(=O)O 408634054 OGPBIVZOHJYRGD-BKUYFWCQSA-N 449.484 5.141 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408697321 IZLIIUOYLJNOCW-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN1C(=O)S/C(=C/c2cn(CCSc3ccc(Cl)cc3)c3ccccc23)C1=O 408774699 XRJHHKVCOMPTNJ-XDHOZWIPSA-N 428.966 5.753 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 408783424 LGAGBVMHSCDVSG-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 408927586 XRYHLGXROCCAQY-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1cc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br 408980734 STRLKWPMPBBLCE-NRFANRHFSA-N 437.337 5.257 0 40 IKAB Cc1ccc(NC(=O)COc2cccc(CNc3cccc(Cl)c3C)c2)cc1Cl 409252755 DMRZRYQVKHHWLF-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C 409339893 MNSMYHHXZGQDPI-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 409416141 PXHRONJHQVLAKB-RQOWECAXSA-N 435.532 5.487 0 40 IKAB CC(C)c1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266057 CCBIPGBPWSWFHS-XMMPIXPASA-N 449.982 6.078 0 40 IKAB COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2-c2ccc(OC)cc2)cc1 667960 IBZFTBRFTXIZSZ-QPLCGJKRSA-N 430.529 5.273 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)cc1 1223936 ZNDLWVNYKBZLSC-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NCc3cccs3)c2c1 1367933 NYEZINNMJLIFPD-UHFFFAOYSA-N 433.602 5.638 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 1378853 XQEXCKCJFVHRLY-UHFFFAOYSA-N 441.622 5.741 0 40 IKAB O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1cc(Cl)ccc1Cl 1405210 QQUVXHZOBMPBHF-UHFFFAOYSA-N 440.377 5.715 0 40 IKAB C[C@]1(Br)C2c3ccccc3C(c3ccccc32)[C@]1(C)C(Cl)(Cl)Cl 1711919 JNUYLKYUSXCNOV-FOIPXRHGSA-N 430.600 6.808 0 40 IKAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)c1ccc(OCc2ccccc2)cc1 1838254 VKLYMVRCTASPDV-UHFFFAOYSA-N 436.891 5.308 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 2063291 UMMVFCPDAHCDHR-UHFFFAOYSA-N 449.293 7.314 0 40 IKAB CCOc1ccc(-n2c(SCc3ccccc3F)nc3sc(C)c(C)c3c2=O)cc1 2143108 PBUGCNAQZDZNIK-UHFFFAOYSA-N 440.565 5.894 0 40 IKAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccc(Cl)cc1 2244790 SLLNFGIBHAGJOD-UHFFFAOYSA-N 444.792 6.351 0 40 IKAB biogenic CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1F 2256301 CSTQWRYBURWMPM-SFTDATJTSA-N 448.548 5.761 0 40 IKAB COc1ccccc1NC(=O)c1c(N)n(-c2cc(C)cc(C)c2)c2nc3ccccc3nc12 2371163 QGEKPRRSQSHJKY-UHFFFAOYSA-N 437.503 5.034 0 40 IKAB O=C(Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1)c1ccc(Cl)cc1 2401418 WUPNMMVKMIGEKZ-UHFFFAOYSA-N 433.872 5.942 0 40 IKAB biogenic CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2417869 AWHHEENBXJLBBS-QFIPXVFZSA-N 430.891 5.715 0 40 IKAB CCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2oc3ccccc3c2n1 2445988 HKVOHSZGYAYWPA-UHFFFAOYSA-N 431.439 5.688 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(Cl)cc2)oc1NCCc1ccccc1 3215858 DDYRLZJBAHJRMU-UHFFFAOYSA-N 438.936 5.482 0 40 IKAB CCOc1ccc(Nc2nnc(SCC(=O)N(c3ccccc3)C(C)C)s2)cc1 3227381 ZZMQXSAEKBJVNV-UHFFFAOYSA-N 428.583 5.214 0 40 IKAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1Br 3296416 XNAVWGCZJSWLPK-NRFANRHFSA-N 441.346 5.709 0 40 IKAB COc1cc(C)c(CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1OC 3387866 BJYFQKYNEKOIMH-UHFFFAOYSA-N 432.549 5.256 0 40 IKAB CCc1cccc(C)c1NC(=O)c1c(C)nn(Cc2ccc(Cl)cc2Cl)c1Cl 3402605 IWJMQPPNEYXXOR-UHFFFAOYSA-N 436.770 6.323 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)C[C@H](O)C(F)(F)F 8672352 DIWXLDADNWFYOC-HNNXBMFYSA-N 440.771 5.316 0 40 IKAB C[C@@]1(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1(Br)Br 8685907 VKYLIJKMBHFFAO-SFHVURJKSA-N 437.175 5.112 0 40 IKAB c1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cs2)cc1 8748194 STSPHGCAWUTPAA-QGZVFWFLSA-N 440.619 5.601 0 40 IKAB COc1ccc(N2C(=O)N[C@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C2C)cc1 8748977 FSGFYGZDHWBAML-HSZRJFAPSA-N 431.467 5.018 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)OCc1cc2ccccc2nc1Cl 8825262 MNJKYAUJXNZMLO-UHFFFAOYSA-N 445.993 5.879 0 40 IKAB O=C(c1ccccc1)c1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccccc1 8872047 JDKWQEOMIREADG-UHFFFAOYSA-N 442.584 6.196 0 40 IKAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(N5CCCCC5)ncnc4c23)CO1 9034172 YNJHRMOFINNJEE-UHFFFAOYSA-N 430.577 5.748 0 40 IKAB COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1 9068861 IAQXOEDBIGUBBL-CVYRBCPQSA-N 426.516 5.403 0 40 IKAB Cc1c(CCC(=O)Nc2ccccn2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 9304918 NKNKTIIFILCVJL-UHFFFAOYSA-N 442.446 5.620 0 40 IKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccc(I)cc2)c2ccccc2N1C(C)=O 9434480 BHOZEQWQPMADOF-YHBQJITHSA-N 434.321 5.226 0 40 IKAB COc1ccc2nc(Cl)c([C@H]3CC(c4cccs4)=NN3C(=O)c3ccco3)cc2c1 9495110 FOMMSSVAVOLYFS-GOSISDBHSA-N 437.908 5.543 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 9495160 MRAIUDWUDZIJPU-SFHVURJKSA-N 429.701 5.687 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)s2)cc1 9545277 XZCMMIHCHLSZNI-UHFFFAOYSA-N 448.573 5.688 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 9549294 POVHLGIIBZWNMC-UHFFFAOYSA-N 426.925 5.332 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1cccc(Cl)c1Cl 9599237 VGKTVTWGAWDZIJ-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB Cc1ccc(C2=NC3(CCCC3)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 9599353 MFPZPZWAMIIRBF-UHFFFAOYSA-N 429.948 5.631 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccccc3C)o2)c2ccccc2)c1 9641686 GUGQTRRKAWKTQL-JOCHJYFZSA-N 429.545 6.134 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 9666337 SFEYBNMTXALEDZ-MRXNPFEDSA-N 448.523 5.231 0 40 IKAB COc1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1Br 9683467 RKRPSVGNYZPUCJ-UHFFFAOYSA-N 434.334 5.483 0 40 IKAB Cc1cc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)c(C)s1 9841693 ZHEFJWMMTKXYFF-LLVKDONJSA-N 428.337 5.205 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccnn1Cc1c(Cl)cccc1Cl 12787421 BVZSXXOTUUNABX-UHFFFAOYSA-N 433.320 5.136 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OC 12823550 IXVGCVVVNAVMJK-NRFANRHFSA-N 443.503 5.193 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1 13026666 KLKAAWIABXSTRJ-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB Cc1ccccc1-n1c(-c2cccnc2)nn(CN(C)Cc2ccccc2Cl)c1=S 13073794 KQAZOCZOYDUGTJ-UHFFFAOYSA-N 435.984 5.517 0 40 IKAB CCn1c(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 13141098 KIYHEQVZYTXQHN-JTQLQIEISA-N 427.382 5.453 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1C 13141812 OGDJARWYJYWUCD-UHFFFAOYSA-N 448.975 5.939 0 40 IKAB Cc1ccccc1C(=O)c1c(NC(=O)CN2CCc3ccccc3C2)sc2c1CCCC2 13496089 BSXOIUKASNXXBF-UHFFFAOYSA-N 444.600 5.163 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)cc1 13512747 IDJAYOCHFABQJR-UHFFFAOYSA-N 437.569 5.016 0 40 IKAB S=C(Nc1ccccc1Cl)N(CCN1CCOCC1)Cc1cccc2ccccc12 13721613 QMCWRODOEGMDFN-UHFFFAOYSA-N 440.012 5.024 0 40 IKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@@H](C)Oc1ccccc1 13850134 RMBIGQQPCVBHEX-QGZVFWFLSA-N 432.549 5.322 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 15881515 QHDCUNYQYUFTHK-UHFFFAOYSA-N 444.413 5.352 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4F)CC3)cc2)cc1 16575630 DUQSHVOMIAXOGN-UHFFFAOYSA-N 447.554 5.187 0 40 IKAB CC[C@@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16611388 AUEQTGYZSLHILG-INIZCTEOSA-N 433.173 5.195 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)nc12 17094884 YUKVLVIIJDVODY-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB COc1cc(Br)c(CC(=O)Nc2ccccc2Cc2ccccc2)cc1OC 17339174 WWPKIYHUKAXWGZ-UHFFFAOYSA-N 440.337 5.238 0 40 IKAB COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)c2c(O)c3ccccc3oc2=O)cc1 19897612 KBOLOVOXFYZOJI-HXUWFJFHSA-N 434.875 5.566 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3ccc(C)cc3)n(-c3ccccc3OC)n2)cc1OC 20636382 DBFMWQIAVQOJGZ-UHFFFAOYSA-N 444.487 5.093 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1Cl 22073786 HNVCPELGJAMJBP-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1 22245570 XFNCSYPYCIHVHK-CYBMUJFWSA-N 430.371 5.473 0 40 IKAB CC[C@H]1c2c(cc(OC)c(O)c2Oc2cc3c(cc2OC)CCN(C)[C@@H]3CC)CCN1C 24717635 BOXBKGGQZPGMRE-UXHICEINSA-N 440.584 5.080 0 40 IKAB biogenic Cc1cc(C(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(C)n1Cc1ccco1 25613518 GQTRCDAJOYJIOG-UHFFFAOYSA-N 428.492 5.643 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccc2Cl)c1C 26770898 QQYWRKNLWDONPM-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB COCCCn1c(S[C@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccccc1Cl 29737493 BYQDFGVKIHURBK-CYBMUJFWSA-N 445.932 5.131 0 40 IKAB Cc1ccccc1CSCC(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30853822 CLGIUIQEKLSGMX-UHFFFAOYSA-N 431.601 6.395 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)cc1C 36716934 DDHLKOFPTAPVNO-UHFFFAOYSA-N 434.521 5.396 0 40 IKAB Cc1nc(C)c([C@@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 40157036 STYPBZOJJKDCAT-CYBMUJFWSA-N 425.583 5.305 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 40717274 QJHRMZUZIITDHF-UHFFFAOYSA-N 444.531 6.470 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 51329988 LGKRFJCIXFSLEJ-SANMLTNESA-N 425.576 5.894 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1Cl 59477516 NNOHCHDTQQUFJT-DHZHZOJOSA-N 449.675 5.857 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2ccc(COCC)cc2)n1 72390629 IWNJBKSDMBTVNY-DEOSSOPVSA-N 444.579 5.313 0 40 IKAB CC(C)Oc1cc(Br)ccc1C(=O)N1CCC(c2ccnc(C(C)C)n2)CC1 95431482 GNHKHWNEIKJRJG-UHFFFAOYSA-N 446.389 5.170 0 40 IKAB COc1ccccc1CN1[C@@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 100425773 IEPHGEUEKDHBEY-RTBURBONSA-N 447.501 5.421 0 40 IKAB CCOc1ccccc1Nc1nnc(SCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)s1 102187028 JHKKLSMMKSGQGE-QRQCRPRQSA-N 446.642 5.200 0 40 IKAB CCC(CC)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2 104698476 LDMHMNCSYRLFLS-JZJYNLBNSA-N 442.559 5.573 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 214473570 BYUDSJSBBLHVAH-RGVLZGJSSA-N 444.339 6.798 0 40 IKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1c(F)cccc1Cl 215154314 CCZBEPDAXJEXJO-OVCLIPMQSA-N 426.694 5.478 0 40 IKAB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cn4)sc3n2)cc1 215708134 SDVLSVJJXOULHY-UHFFFAOYSA-N 428.439 5.520 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1C 216029902 IGLATQXPAOOWOO-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 222631570 CQDVXTDWHGFQRT-CFGAKRJMSA-N 430.360 6.238 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222980709 DGWPPPLATBCRGM-LEWJYISDSA-N 444.025 6.252 0 40 IKAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223050528 GXCLESMICPUVCQ-DEOSSOPVSA-N 434.967 5.006 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 223080570 OJYJQNNMDKFDCU-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 223656694 HXQPSZDMUJAPQZ-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224186051 GIVRIJZEQVOQCZ-UHFFFAOYSA-N 433.548 5.510 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)c(OC)c1 224303555 KAWFQCSGLNGSAS-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 224426351 VPWCSPBZCLJJRT-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(Cl)cc1 224502240 KLFQEMGMMMAYCZ-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 224508167 MPZUAOJCZLEUOT-VWLOTQADSA-N 434.580 5.424 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224528343 QYKJHTZBFRABPY-IBGZPJMESA-N 449.566 6.592 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225226275 UXAAMFJUFFBMPV-NRFANRHFSA-N 433.017 5.156 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225612880 WFGVFSYUGSMBDR-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225717390 ADRXJSMFIZNPMD-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c(C)c1 225865036 LLNMXNLCNUZOTB-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173153 DVYYXRMZSKHPAZ-UHFFFAOYSA-N 425.863 5.682 0 40 IKAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1 257236744 HDOORHUHLXMOKP-SAABIXHNSA-N 432.549 5.359 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@@H](C)c2ccccc2)cc1 257264956 LWQSANHWTKZKIE-SFHVURJKSA-N 437.923 5.515 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257303473 SHKDRLQZXHMKNO-IBGZPJMESA-N 446.522 5.636 0 40 IKAB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 408556684 LCWWZTMIRDGROU-XMMPIXPASA-N 439.964 6.096 0 40 IKAB CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 408571969 DOGLHHYIYGHGSK-UHFFFAOYSA-N 443.827 5.539 0 40 IKAB O=C(Nc1cccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1 408683962 NVTAUHNGCCJDNZ-VGNMNXCYSA-N 446.506 5.388 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1c(Cl)cccc1Cl 408694701 LRDGTUNVTGZDQP-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408696241 YNDLZLQAYKBCLW-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 408926651 VPMCLAOAUPUTTH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(C(F)(F)F)c3)CC2)cc1 409053829 QPTDZKIUNQYEFM-UHFFFAOYSA-N 432.486 5.494 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409195957 XIHQJEPUYRJTGQ-YBFXNURJSA-N 430.312 6.803 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2C)nnc1-c1ccccc1 409199996 GIVYYMBFILKEHM-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1 409206771 XOXSQTHTJJWDJF-DQSJHHFOSA-N 442.584 6.341 0 40 IKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccc(C)cc2)n1 575443173 POUNKYBWZBYYPL-UHFFFAOYSA-N 428.492 5.384 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCCCCC1 998726 UEKNBIZOGBAHQT-AAEUAGOBSA-N 432.899 5.275 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cccs3)cc2c1 1366803 UREHRZJBEMCRJH-UHFFFAOYSA-N 438.936 5.094 0 40 IKAB COc1ccccc1C(=O)N1c2ccc(OC(=O)c3ccc(F)cc3)cc2C(C)=CC1(C)C 1446413 QKISYOFSZKIJKG-UHFFFAOYSA-N 445.490 5.896 0 40 IKAB COc1ccc(NC(=O)/C(=C\c2cccs2)NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2060332 RMLTWKUCIQYFLK-CJLVFECKSA-N 434.561 5.464 0 40 IKAB CCn1c2ccccc2c2cc(/C=C/[C@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 2124077 FNSAGXWCIIDFMA-NUKVQWKISA-N 435.571 5.842 0 40 IKAB biogenic CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 2188956 IBDCVFMMEYWPSL-UHFFFAOYSA-N 436.364 5.974 0 40 IKAB CCCCn1c(SCC(=O)OCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2349953 PLGPSQDOMNVUKA-UHFFFAOYSA-N 440.609 5.124 0 40 IKAB Cc1ccc(COn2c(SCc3ccc(C)cc3C)nc3ccccc3c2=O)c(C)c1 2410827 ZIPUNBNSOSSDBY-UHFFFAOYSA-N 430.573 5.551 0 40 IKAB CSc1nc(SC)c2sc3nc(-c4ccco4)c4c(c3c2n1)CC(C)(C)OC4 2414914 YUXMWFURRGUMEA-UHFFFAOYSA-N 429.592 5.795 0 40 IKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)NCc3ccc(Cl)cc3Cl)sc21 2429652 ANGLLWVMZVXHEF-UHFFFAOYSA-N 430.360 5.941 0 40 IKAB COC(=O)c1cc(CSc2nnc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n2)oc1C 2640773 NKMQJQRWVFOBHC-UHFFFAOYSA-N 445.544 5.803 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCCc1c[nH]c2ccccc12 2649661 DQQFOQOGTLIFGU-FQEVSTJZSA-N 437.893 5.636 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3F)c3ccccc3n2)cc1OC 3249866 RSIMBYCEOXEZGI-UHFFFAOYSA-N 445.446 5.098 0 40 IKAB CCCC1=C(C(=O)OC)[C@H](c2ccc(Br)cc2)NC(=S)N1c1ccccc1 3339385 UDQHPMOLVINOKB-IBGZPJMESA-N 445.382 5.112 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccn2)cc1 3355774 BOULHLBYFUZTPX-UHFFFAOYSA-N 443.359 5.937 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O 4082366 DCJVKINJRHKIHH-MFTSUCBKSA-N 429.645 5.386 0 40 IKAB biogenic CN[P@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 8617784 XYKIOPQTMJJZBF-SANMLTNESA-N 434.691 5.175 0 40 IKAB O=S(=O)(/C(=C/c1ccc(C(F)(F)F)cc1)c1nc2ccccc2[nH]1)c1ccccc1 8685355 GFNKOHYICHFZDD-XSFVSMFZSA-N 428.435 5.554 0 40 IKAB O=[S@](Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8781515 GZXCRHJFLPJMTC-PMERELPUSA-N 433.964 5.717 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C[C@@H](C(C)(C)C)CC3 8870297 NDAUSSIBTZHZIR-HNNXBMFYSA-N 431.985 6.346 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)s2)cc1 9062352 JJSLSNGSBOAEMK-UHFFFAOYSA-N 436.345 5.988 0 40 IKAB COc1cccc(C(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCC4)c1 9086495 AVMGCEAFKMEROE-UHFFFAOYSA-N 434.948 5.927 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)cc1 9129795 FLAMZEXSZXLDGP-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)c4nnc(-c5cccs5)o4)o3)cc2C1 9256806 HYUNKELBVUUNAF-QWRGUYRKSA-N 430.580 5.888 0 40 IKAB CCCCCOc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 9272990 FVFGABJRLGWKFB-NRFANRHFSA-N 441.575 6.145 0 40 IKAB CN(C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2s1 9603882 HLWKUPSQXPUKNN-UHFFFAOYSA-N 427.879 5.177 0 40 IKAB O=C(CSc1nnc(Nc2ccc(F)cc2)s1)N(Cc1ccco1)C1=CCCCC1 9608387 IFDXWDBDSKTWDH-UHFFFAOYSA-N 444.557 5.593 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccccc1 9951976 SJTXEUDMNCDBGU-JOCHJYFZSA-N 433.533 5.442 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(Nc5ccccc5)cc4)ncnc32)cc1Cl 10253784 PDFZSHAQTLWOFP-UHFFFAOYSA-N 426.911 6.265 0 40 IKAB Cc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)ccc12 11426266 GXDYNLMGUCEQAA-UHFFFAOYSA-N 444.270 5.601 0 40 IKAB Cc1ccc(-c2nnc(SCc3nc(C(C)C)no3)n2-c2ccc(Cl)cc2)cc1 12606924 NKTRBRGEYAJFBX-UHFFFAOYSA-N 425.945 5.695 0 40 IKAB CCOc1cc([C@@H]2NC[C@H](c3ccc(OC)cc3)c3c2[nH]c2ccccc32)ccc1OC 12683089 WGCZLEVZAYUPRK-RLWLMLJZSA-N 428.532 5.408 0 40 IKAB Cc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)n(C[C@H]2CCCO2)c1C 12774644 UXLSKLZJDROPOX-JOCHJYFZSA-N 427.614 5.137 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 13014723 VHAFBEJKVUHVSR-ZDUSSCGKSA-N 431.949 5.211 0 40 IKAB Cc1ccc(NC(=O)COC(=O)CC2(Cc3nc4ccccc4s3)CCCC2)cc1C 13133837 XKBGCCRFTHNZFT-UHFFFAOYSA-N 436.577 5.588 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)cc1 13941678 UCKNWUPAJHCBRG-UHFFFAOYSA-N 429.545 5.610 0 40 IKAB Cc1ccc2c(C(=O)CN3CCC4(CC3)CC(=O)c3cc(Cl)c(C)cc3O4)c[nH]c2c1 14000045 GBMXYSHWOORLJR-UHFFFAOYSA-N 436.939 5.121 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 14270245 VOMVCKAZTMKOQS-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB COc1ccc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2c1 15882388 NPWBKJHBZXQNFH-UHFFFAOYSA-N 445.544 5.060 0 40 IKAB COc1cc(CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc(OC)c1OC 16195247 WLWBMFUAKDSILB-UHFFFAOYSA-N 433.529 6.327 0 40 IKAB O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1cccc(Cl)c1 16398881 ONYARPOAULBSNC-WCSRMQSCSA-N 438.686 5.072 0 40 IKAB CCc1ccc2occ(CC(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 16753197 RWIPAMJAUPAJQY-UHFFFAOYSA-N 438.571 5.472 0 40 IKAB CCOc1ccc(C(=O)Cn2nc(COc3ccc(C(C)(C)C)cc3)oc2=S)cc1 16769022 SBWOZWRONUOXKZ-UHFFFAOYSA-N 426.538 5.364 0 40 IKAB CCN(CC)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 17096674 DIFQEILUBJPUGK-UHFFFAOYSA-N 429.775 6.127 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 17098197 HUENHLPFVUVTMJ-UHFFFAOYSA-N 432.749 5.296 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 17099271 HEDINXBEBZUIIW-INIZCTEOSA-N 434.923 6.679 0 40 IKAB Cc1ccc(-c2[nH]ncc2CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 19722281 RSLRDDDKXGZIEP-UHFFFAOYSA-N 436.603 5.601 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 19945498 ZSBBXUSZDYCVGH-UHFFFAOYSA-N 438.911 5.644 0 40 IKAB Cc1cc(SCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)nc2ccccc12 20036756 YDMQTQKIHIZQRQ-UHFFFAOYSA-N 441.581 6.551 0 40 IKAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 20632472 DHFKZZQMIGQKLL-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C(C)C)cc2)C4)cc1 20671802 SOYBCWOAEIYZEO-OAQYLSRUSA-N 442.588 5.761 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1cccc2ccccc12 20672791 OGBLLPCIEOJGLU-UHFFFAOYSA-N 441.922 5.721 0 40 IKAB CCCN(C(=O)CSc1nnc(-c2cccc(Br)c2)o1)C1=CCCCC1 21325081 BVJAJXFHQZBMCD-UHFFFAOYSA-N 436.375 5.288 0 40 IKAB CC1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)cc2)CC1 21596101 DSSFUOZNKCAODU-UHFFFAOYSA-N 431.374 5.482 0 40 IKAB COc1ccc(CNCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 22076733 RDAXELXQWUASOV-UHFFFAOYSA-N 442.353 5.335 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccccc2Cl)c(OCC)c1 22109772 PGYNYDKSIQQTHL-UHFFFAOYSA-N 432.977 5.268 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C 23127025 SGLKEEJWUJXJTB-UHFFFAOYSA-N 449.601 5.264 0 40 IKAB c1ccc(Cn2c(CN3CCCC3)nnc2SCc2csc(-c3ccccc3)n2)cc1 25746503 TUMXOGADPFYQIV-UHFFFAOYSA-N 447.633 5.338 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971980 QIWFHUUBXAGWJC-UHFFFAOYSA-N 433.895 5.501 0 40 IKAB O=C(O)c1cccc(-c2nc(-c3ccccc3)c(C(=O)Nc3ccc4c(c3)OCO4)s2)c1 32927813 NQSDPRTVXYNFQV-UHFFFAOYSA-N 444.468 5.156 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1 33021896 XYVAWZCWCRATJL-UHFFFAOYSA-N 428.439 5.813 0 40 IKAB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646145 WXGLCXNNOGAJEL-HMAPJEAMSA-N 430.916 6.836 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 39389022 UCQVCXBZGLCJAX-SFHVURJKSA-N 447.604 6.107 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 40485569 FGGWMTUXTFJXND-QHCPKHFHSA-N 448.360 5.853 0 40 IKAB Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2cccc(C(F)(F)F)c2)cc1 44087804 LMLBOPGRLVSSPU-UHFFFAOYSA-N 442.481 7.298 0 40 IKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 57997083 RLLLVUZQSDZVRI-CYBMUJFWSA-N 435.471 5.502 0 40 IKAB Cc1noc(C)c1C(=O)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 58082991 SYHYYUIBUPXRIP-UHFFFAOYSA-N 430.233 5.254 0 40 IKAB Cc1cccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)c1 67260272 SCSAXCRAFCKUSF-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1 72215810 DVIORNWVEDFFFL-HSZRJFAPSA-N 443.547 6.132 0 40 IKAB CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@H]3CCCC[C@H]3C)ccc21 72290492 CJPBPRIWHWWCBE-IBVKSMDESA-N 445.607 5.421 0 40 IKAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)s1 72354108 DGVGRXZKKALAAE-OAQYLSRUSA-N 434.609 5.116 0 40 IKAB CCc1nc2ccccc2n1C1CCN(C(=O)CCCc2nc3ccccc3s2)CC1 95458922 KCSAFOQTCSJVSC-UHFFFAOYSA-N 432.593 5.395 0 40 IKAB O=C(NCc1cccnc1)c1cc2ccc(-c3cccc(Cl)c3)cn2c1-c1cocn1 96155483 RJKQOWNCDYNEKF-UHFFFAOYSA-N 428.879 5.240 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1c(C)cccc1C 96635019 LIBHABBWDGTEES-CIAFOILYSA-N 445.544 5.406 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 100619385 MBCSHGNNTJIEPV-ASSNKEHSSA-N 432.446 5.049 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 102969869 AYOOLMOEXJWWAF-VWLOTQADSA-N 436.983 7.323 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)cc2)c1 214064432 RMRURSRAEXLXHN-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)C)cc1 222545817 QLARNLKGTYCYNB-QHCPKHFHSA-N 429.004 5.167 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223287222 UOPJQLINYONLDG-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 223344540 ZAONLCAOCBYFMI-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 223735123 IBQLNBNBABAWCY-RUZDIDTESA-N 446.591 5.251 0 40 IKAB Cc1ccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 224100333 LBDLMBNUDUESER-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1Cl 224279711 ZVCFLTXCHMFHAK-UHFFFAOYSA-N 439.939 6.114 0 40 IKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 224506958 MOKCBSFFWUXKDJ-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)c(C)c1 224543208 MSAGKZDVCUUUCL-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C(C)C 224567454 VXWYNXDWGMFBMS-UHFFFAOYSA-N 449.547 6.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccc(C)cc1 224665251 YIJQXCKJEFTSGF-UHFFFAOYSA-N 434.561 5.897 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224688081 CWDXYJGZLWLZAQ-DQEYMECFSA-N 440.572 5.698 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224706718 UCFAMWJLYAGRAQ-OAQYLSRUSA-N 438.637 5.343 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224810640 QXOSJUUWNOGVKP-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 225168601 HYKAYEDSLOXBES-HHHXNRCGSA-N 447.550 5.757 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 225523377 ATRZDVWJFDZCEI-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3)n2)c1 225534796 MROWJOZDUHYLLP-UHFFFAOYSA-N 440.528 5.096 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225634838 GFUAOZOLFCWNBW-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1cc(C)c(OCc2ccccc2)c(C)c1 225697408 LVPHEMPAGUFANB-UHFFFAOYSA-N 425.613 6.688 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)cc1Cl 225866611 OTLBTBPMVBMTFZ-UHFFFAOYSA-N 432.973 5.281 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225908773 OYJZIIIQSMPKMV-CYBMUJFWSA-N 432.178 6.151 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc(Cl)c1Cl 253579699 ZYCSGQIKWGOSOG-UHFFFAOYSA-N 437.396 5.310 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1)C1=CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@@]1(C)CC3 254350676 QZSOQOOFGQQOKW-GOOROAPNSA-N 438.696 8.046 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(C(=O)C2CCC2)CC1 257294528 QUOYEYINUGLBTG-UHFFFAOYSA-N 432.608 5.138 0 40 IKAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 408551793 GETKPBQGUGBPNB-UHFFFAOYSA-N 438.907 5.666 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)cc1 408560196 DFPAYNXJZUFSRB-UHFFFAOYSA-N 430.577 5.413 0 40 IKAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(Cl)c1 408616579 ZNBXZMJQVMPBGA-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB Cc1nnc(S/C(=C\c2cc(Br)c(Sc3ccccc3)o2)C(=O)O)o1 408632127 NQFKJVUGKZRAPK-JYRVWZFOSA-N 439.312 5.103 0 40 IKAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)ccc(Br)c1Cl 408646624 VVQSNYGLQZVNHJ-NSHDSACASA-N 442.140 5.056 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(C)cc2)cc1 408695364 QEXUSMZDTVVIHY-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408696019 VAYYXENUUHJVRJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3sc(C(=O)N4CCCCC4)cc3c2)c(C)c1 408713167 MMGWOVQPXWMXKM-UHFFFAOYSA-N 442.606 5.253 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 409134102 VTKQEWFJXLCLNP-UHFFFAOYSA-N 438.980 5.184 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc2ccccc12 409177119 BARXGEVZNDTWCD-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409192240 VYGJPXMBYLNYBI-XDHOZWIPSA-N 429.328 6.333 0 40 IKAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 2037978377 STFNFZJAKGOQFA-VWLOTQADSA-N 431.605 5.070 0 40 IKAB COc1ccc(C(=O)Cn2cnc3scc(-c4ccc(C(C)C)cc4)c3c2=O)c(OC)c1 938880 MJZFAWHLYHMHNW-UHFFFAOYSA-N 448.544 5.149 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 1339019 GUNKHXXRYZNRDE-HSZRJFAPSA-N 433.577 5.289 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccc(F)cc1 1339111 JTVVDXWATCOXHZ-DEOSSOPVSA-N 449.501 5.197 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 1371615 FQZUPLOOJKUCDK-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB O=C1c2cc3c(cc2[C@H]2C[C@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 2049066 DSTSQAROMMWVIN-GZGNHOFSSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro O=S(=O)(N=S(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 2279846 OLZRPSWBOUWLSR-UHFFFAOYSA-N 444.792 6.256 0 40 IKAB CC(C)c1nc2sc3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c2c1CCC2 2400299 IBUQJFZQHPKTQL-UHFFFAOYSA-N 442.632 6.311 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)CCc3ccccc3)c3nc4ccccc4nc32)c1 2413980 WHWUYZCKMBWUAY-LJQANCHMSA-N 449.558 5.215 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc4ccccc34)nnc2-c2ccco2)cc1 2449513 ONEIFAZWFZNPTK-UHFFFAOYSA-N 440.528 5.720 0 40 IKAB O=P(Nc1ccccc1)(OCC(Cl)(Cl)Cl)OCC(Cl)(Cl)Cl 3135499 SMJIXWWLYNPQGU-UHFFFAOYSA-N 435.886 5.980 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3302275 MHXUDAZADYJOJP-XMMPIXPASA-N 440.528 5.474 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 3446837 AIBBLDAVWHKKHQ-IERDGZPVSA-N 445.592 5.856 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 3643842 HQCWMNGAYJCANW-FQEVSTJZSA-N 445.544 5.641 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 3659070 PKFPJGIGHNEYQD-CIAFOILYSA-N 448.906 5.333 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4062193 XUGISPSHIFXEHZ-JFSNBKTQSA-N 428.701 7.960 0 40 IKAB biogenic COc1ccccc1CN(C(=O)c1ccccc1)c1ccc(N2CCOCC2)c(Cl)c1 4083438 XACQWSLKZBSEAG-UHFFFAOYSA-N 436.939 5.032 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c(C)c1 4218042 ZJYWINDIVDBRIL-UHFFFAOYSA-N 425.623 6.041 0 40 IKAB Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)c1 6912880 ZPKXLQBCQBJDQU-PKXQUSJVSA-N 434.693 7.115 0 40 IKAB COc1ccc(Cl)cc1/C=C/c1ccc2cccc(OCc3ccccc3Cl)c2n1 8396645 RPLDQEJIKYPECO-JLHYYAGUSA-N 436.338 7.300 0 40 IKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 8431645 GBSAGACUTNJOCD-VYWDTDEQSA-N 426.947 6.777 0 40 IKAB O=C(Nc1nc2ccc(F)cc2s1)c1nc(SCc2ccccc2F)ncc1Cl 8613773 BFOONOBRVLCPMZ-UHFFFAOYSA-N 448.907 5.563 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccc(F)cc1 8756163 ZSNQCMKYDNAMPM-KRWDZBQOSA-N 449.913 5.428 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)cc1 8758463 TUNUXWJDPGIPJE-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 8871419 QIXXFWIVYKSDBP-GOSISDBHSA-N 431.923 5.267 0 40 IKAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 8888309 GYOAHBGWMYFOGR-ZWKOTPCHSA-N 434.750 6.435 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915476 FAAHPDLXUPUZQU-HNNXBMFYSA-N 433.162 6.122 0 40 IKAB CCOc1cc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc(Cl)c1OCc1ccc(F)cc1 9130592 WWSVXPPYVKSWQZ-UHFFFAOYSA-N 441.890 5.239 0 40 IKAB O=C(CCCSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 9216828 UUUJWCFMRNQSIB-KRWDZBQOSA-N 439.631 6.142 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c1C 9752493 VKVWOMMXQYIALY-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Br)cc1 9846237 HBDCIAKGXHPDCV-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1cc2ccccc2o1 10136548 XGZWHGUUAOPUQJ-UHFFFAOYSA-N 446.454 5.461 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 11398007 HYSYMWOLARMTFZ-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C(=O)N1c1ccccc1 12285300 IGLRQHASGNTYIL-KGENOOAVSA-N 449.304 5.125 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 12494210 GMTRRTYCTNORLV-IBGZPJMESA-N 434.609 5.802 0 40 IKAB Cc1nc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)cs1 12822657 HQVCPQSEBNXSGQ-HXUWFJFHSA-N 437.565 5.193 0 40 IKAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1c(Cl)cccc1C(F)(F)F 12921482 ZFKSMDZCKYUCMV-UHFFFAOYSA-N 428.863 5.654 0 40 IKAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 13063142 ZUSJLECPOCXGTI-LJQANCHMSA-N 444.531 5.097 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 13120263 AAATVJFGQAZXQO-MRXNPFEDSA-N 434.517 5.493 0 40 IKAB COc1cccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1OC 13598088 GRNHFPWBUHLTLO-UHFFFAOYSA-N 425.315 6.735 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14083826 PNJOLLOUHCBZIV-HNNXBMFYSA-N 437.952 5.933 0 40 IKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1nc(Cl)ccc1Cl 15648085 VJHJBNCJNMVHAU-UHFFFAOYSA-N 435.138 5.186 0 40 IKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)cc1 16161538 CXTHPCDEBVUELX-UHFFFAOYSA-N 425.315 6.925 0 40 IKAB CCOc1ccc2ccccc2c1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 17085908 JABBVOCCRBNMAF-HJPURHCSSA-N 434.605 6.305 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 17095969 BPPHUBGMPNJDET-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@@H](c3ccccc3)c3cccs3)ccc12 18536888 QPMGLLLGTJYECR-VWLOTQADSA-N 433.529 5.092 0 40 IKAB O=C(c1cc2ccccc2nc1C1CCN(Cc2cccc(F)c2F)CC1)N1CCCC1 19376242 FTOKUVOUHLIYSD-UHFFFAOYSA-N 435.518 5.129 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccc(C)cc3)n2)c(OC)c1 19641099 RUDVEKQTIQFELT-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C1=Cc2ccccc2OC=C1 19809871 CXFUEPMFXXHASO-UHFFFAOYSA-N 435.476 5.659 0 40 IKAB CC1=NC2=NC(Nc3cccc(Cl)c3Cl)=N[C@H](c3ccc(C(C)C)cc3)N2C(O)=C1 19900821 BTPULVLKVMVCHX-FQEVSTJZSA-N 442.350 6.129 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(OCC(=O)O)c2)cc1 20158249 CSSBZKRZWOWMTL-UHFFFAOYSA-N 446.528 5.802 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4Cl)c3)n2)cc1 22255421 SBOFEHSZGZDDFC-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB Cc1c(NC(=O)c2ccc(OC(C)C)cc2)cccc1C(=O)N1CCc2sccc2C1 26046616 KMMLDAFTAAZGQP-UHFFFAOYSA-N 434.561 5.295 0 40 IKAB O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 26129548 GFXHPPDQXBZFCQ-NRFANRHFSA-N 427.401 5.169 0 40 IKAB COc1ccc(-c2nc(CSc3nncn3CCc3cccs3)cs2)cc1OC 29988534 OXKJOTHMQFBMCD-UHFFFAOYSA-N 444.607 5.015 0 40 IKAB Cc1nc(NC(=O)c2ccc(Br)cc2)sc1-c1nc(-c2ccccc2)no1 31813659 JHMITSSROAJLQK-UHFFFAOYSA-N 441.310 5.183 0 40 IKAB COc1ccc(-c2nsc3c(S[C@@H](C)C(=O)Nc4ccccc4C)ncnc23)cc1 35289461 PRFVQPADOXMCOY-AWEZNQCLSA-N 436.562 5.190 0 40 IKAB O=C(N1CCC(n2cnc3cc(C(F)(F)F)ccc32)CC1)C12CC3CC(CC(C3)C1)C2 35315868 AUMDLRFUDOZHAF-UHFFFAOYSA-N 431.502 5.435 0 40 IKAB CCC[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)c(C)nn23)C1 35325700 LFUFMOQMCCVZIM-QGZVFWFLSA-N 433.958 7.069 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc2cc(F)ccc2[nH]1 40059524 YYYDHPLICCQFGB-UHFFFAOYSA-N 441.506 5.026 0 40 IKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(-c3ccno3)c2)n1 40556437 QNZJHJZKHCZVPQ-UHFFFAOYSA-N 439.566 5.958 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 44917320 CKNZXCKMZLYROW-UHFFFAOYSA-N 426.560 5.819 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1F 46079099 UDKNSVYSFAUZES-UHFFFAOYSA-N 438.886 5.333 0 40 IKAB Cc1cc(C)c(NC(=O)CN[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 57363003 BGYMGPZISKEVQH-SANMLTNESA-N 429.564 5.137 0 40 IKAB Cc1ccc2c(C3=CCN(C(=O)c4sc(NC(=O)c5ccco5)cc4C)CC3)c[nH]c2c1 58179096 BWNRLEKUYSRVRO-UHFFFAOYSA-N 445.544 5.621 0 40 IKAB COc1ccc(C2=CCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)CC2)cc1 60883123 LKVGDLSHXILWQS-UHFFFAOYSA-N 426.875 5.381 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C 72370489 RXUGEOFHMVEKEL-LJQANCHMSA-N 438.641 5.252 0 40 IKAB O=C(Nc1ccccc1OC(F)F)N1CCCC[C@@H]1c1ncc(-c2cccc(F)c2)[nH]1 79019474 YLEIJVFQWBESNP-GOSISDBHSA-N 430.430 5.576 0 40 IKAB CCCOC(=O)c1c(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)sc(C(=O)OC)c1C 101872293 PDFIODDBYKSOSY-OXAUBPOISA-N 447.597 5.345 0 40 IKAB CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O 102678697 YRRGIRMXBSLSSV-UQBPGWFLSA-N 444.535 5.571 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccccc3Br)c3ccccc3C2=O)c(C)c1 104720727 ZANCVPSLDMWCDQ-RGEXLXHISA-N 447.332 5.706 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 107041598 TWSWTMZBNFZHTB-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1Cl 219471737 MFKYUWAJPSHKQS-UHFFFAOYSA-N 436.895 5.049 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222618089 UMQBBDLNTLCCAZ-WXVAWEFUSA-N 444.619 5.537 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 222722671 UMSBUBXAHGWYNV-INIZCTEOSA-N 435.395 5.213 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 222805494 GZHLAIILHRTLAG-PMACEKPBSA-N 442.382 5.405 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222848917 HRMBGDSIYVBESZ-UXHICEINSA-N 432.376 6.029 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223721682 SGCIWRPVKMUTPT-GOSISDBHSA-N 445.028 5.298 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177249 BFAGVIMRONNRJS-JWQCQUIFSA-N 440.572 5.448 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224648243 VQDMYPDHBHDMSD-LJQANCHMSA-N 443.518 6.448 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224725670 KEMZYGWNMLUFON-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224858254 OHZRVMZXVABYHR-IBGZPJMESA-N 441.622 5.924 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225263882 WHOONSNLYOAAJU-HHHXNRCGSA-N 442.603 5.176 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(Br)c1 225290184 MSJBBVOVUXODQX-UHFFFAOYSA-N 444.291 5.461 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 225507034 SADKKZDWSWJVFO-VWLOTQADSA-N 429.589 5.506 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1cc(C(F)(F)F)ccc1Cl 225828674 KLZWBYWBECNDBE-UHFFFAOYSA-N 445.828 6.133 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCCc3ccccc3)CC(=O)O)c(-c3ccccc3)c2c1 257335609 YLBCDWFCAFHYKT-UHFFFAOYSA-N 426.516 5.303 0 40 IKAB C[C@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CCCCCC3)n2)C1 260712594 JKMSFRNKPYCWGO-RBUKOAKNSA-N 444.693 5.101 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1 408559069 XFNZBDGCMMJOPZ-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 408593872 QJGBJHRAWNWRKQ-UHFFFAOYSA-N 449.882 5.033 0 40 IKAB CCOc1ccccc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)n1CC)C(=O)O 408630701 AJRGVOSHDMJNHD-AQTBWJFISA-N 429.929 5.235 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408696117 WITIBMAWECPIBS-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 408817693 YGNHQMWRAKYNHC-LPYMAVHISA-N 447.321 6.341 0 40 IKAB COc1ccc(C(=O)Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 408974781 GYNMVXXIQVPTDX-UHFFFAOYSA-N 432.479 6.192 0 40 IKAB COc1ccc(-c2cc(C)nc3c(-c4ccc(Cl)cc4)c(-c4ccccc4)nn23)cc1 409058131 IJINRHMYQKUXGY-UHFFFAOYSA-N 425.919 6.701 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1cccc2ccccc12 409110766 GPGAIIHOHRDMPY-UHFFFAOYSA-N 445.990 7.645 0 40 IKAB CCCN1CCCCCCN(C(=O)C2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582010 HVLQAFQCXIGXES-VWNXMTODSA-N 426.601 5.041 0 40 IKAB O=c1c2cc(F)c(F)cc2nc(SCc2nc(-c3cccc(Cl)c3)no2)n1C1CC1 2087187290 JBLZKZXDQIQPCB-UHFFFAOYSA-N 446.866 5.005 0 40 IKAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(Oc2ccccc2)cc1 629374 YOHHECYGCJBOHF-UHFFFAOYSA-N 447.541 5.656 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 868693 HLOYFYLYZNRYDL-UHFFFAOYSA-N 432.343 5.101 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 884956 HYZSYPHYTWRDHH-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@H]1C 901309 LKOROUZPJCWFPJ-CABCVRRESA-N 443.494 5.621 0 40 IKAB CCc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1 1365837 VITXABVMSCPPGN-IBGZPJMESA-N 438.515 5.396 0 40 IKAB C[C@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385964 LFTYTOOUFCVVQJ-AWEZNQCLSA-N 443.305 5.715 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(I)cc3)cc2)cc1 1434847 POCBXVBYVRROJQ-UHFFFAOYSA-N 443.284 5.431 0 40 IKAB Cc1ccc(-c2nc(Nc3ccc(I)cc3)c3ccccc3n2)cc1 1775383 SIXKIWYAXJIONI-UHFFFAOYSA-N 437.284 5.953 0 40 IKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1-c1ccc(C(C)C)cc1 2089038 ZUWFQQVJMVHTBM-INIZCTEOSA-N 437.561 6.040 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 2093922 VHAVVGUTYPZEBI-UHFFFAOYSA-N 433.935 6.702 0 40 IKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(C)cc3)c3ccccc32)cc1 2250621 SDNFSTWELAKVMF-NGNWLEOVSA-N 425.572 6.538 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 3328312 JKAGIBCLBOOUBF-IBGZPJMESA-N 442.868 6.402 0 40 IKAB COc1ccc(N(CC(=O)c2ccc(C3CCCCC3)cc2)C2=NCCCCC2)c(OC)c1 3618657 KHTTZDASURPRQT-UHFFFAOYSA-N 448.607 6.413 0 40 IKAB COc1ccc(C2=NN(c3ccc(Cl)cc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 6924896 ZDEIXRQAVUZUTB-QFIPXVFZSA-N 431.750 7.011 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccncc4)nc3c2)cc1Br 9065537 RMKRCXPWSHCTTM-UHFFFAOYSA-N 438.281 5.303 0 40 IKAB COc1cccc(NC(=O)[C@H](Nc2cccc(-c3csc(C)n3)c2)c2ccccc2)c1 9127114 ASDGAWGCDNJAPX-XMMPIXPASA-N 429.545 5.919 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O 9215592 FTWQCBFWKVOJRB-QFIPXVFZSA-N 439.939 5.424 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 9254958 KTEVWKIPRBLEHC-FQEVSTJZSA-N 435.549 5.376 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3)c3ccccn23)cc1 9316903 GWLKZKQSKARAET-UHFFFAOYSA-N 433.895 5.057 0 40 IKAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 9578942 UTQDLRUAEVHHKN-QFIPXVFZSA-N 444.535 5.099 0 40 IKAB CCc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9607538 FBEDXKIMYHOGNK-OAQYLSRUSA-N 432.911 5.864 0 40 IKAB CCc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccccc4)c3c2c1 9676141 XHSXHPUVROJCAH-UHFFFAOYSA-N 428.333 6.566 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 9953105 RVWRJGVCXUCCII-JKSUJKDBSA-N 442.560 5.080 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccs1 11692012 GWYKSCXNHCCPMB-UHFFFAOYSA-N 442.359 6.005 0 40 IKAB COC(=O)c1ccc(-c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1 12249692 UTOGFLIOZXUVCW-UHFFFAOYSA-N 436.536 6.666 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NC1CCCCC1 12311648 KMZYNHXOXRYKHA-UHFFFAOYSA-N 434.508 5.351 0 40 IKAB Cc1c(C(=O)Nc2ccc(F)c(-c3nnc4n3CCCCC4)c2)oc2c(Cl)cccc12 12767947 SBKNXHNRFJSJOB-UHFFFAOYSA-N 438.890 5.771 0 40 IKAB O=C(C[C@](O)(c1nc2ccccc2s1)C(F)(F)F)c1cccc(Br)c1 12769516 VSAJZYCMRVOIFS-INIZCTEOSA-N 430.245 5.082 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12801693 IZNLVLVJQHHJNI-FQEVSTJZSA-N 438.524 5.172 0 40 IKAB O=S(=O)(CO[C@@H]1/C(=C/c2ccccc2)COc2ccccc21)c1ccc(Cl)cc1 12959356 OFFNSXCBNITLCT-NLMIPJBGSA-N 426.921 5.305 0 40 IKAB COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1OC 13006932 TZZOITOSVBLTCO-UHFFFAOYSA-N 440.543 5.542 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)N[C@H](c1ccc2c(c1)OCCCO2)C(C)C 13100783 UHDQCHNHQPJENK-IBGZPJMESA-N 428.579 5.468 0 40 IKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 13778089 KYVWHOUGNSMFTK-HNPKZYAISA-N 444.575 5.155 0 40 IKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 13893409 NTUUEGNLHWOMJX-MUAVYFROSA-N 432.567 7.001 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nc(COc3ccccc3C)n[nH]2)c2ccccc2)cc1 14182912 XBLFHQAOZMFGTD-HSZRJFAPSA-N 444.560 5.473 0 40 IKAB Cc1cccc(C)c1Nc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2ncccn12 15414535 RHOAFIGLTKKDGV-UHFFFAOYSA-N 442.607 7.057 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1 16262750 VKPLTQFOOHUVPY-IBGZPJMESA-N 444.025 5.462 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccco1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16699217 IHAZQUNAYWHCBB-AREMUKBSSA-N 438.527 5.191 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17098849 HGTGKLVVLMILFA-UHFFFAOYSA-N 434.495 6.731 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 19221775 BVVJUVDOTUCPSC-HNNXBMFYSA-N 426.442 5.391 0 40 IKAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[nH]c12 19236543 GNAALCXOWYNDHV-IBGZPJMESA-N 426.520 5.424 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1N1C(=O)c2ccccc2C1=O 19633153 AAKNIXQDBABKQA-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 19755776 MKTLIYMYMZJBGZ-RUZDIDTESA-N 437.547 5.313 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)CCC2CCCC2)ncc1C(=O)Nc1ccc(F)cc1 19765062 KGTSJKOPDOTJJP-QFIPXVFZSA-N 438.547 5.200 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20045817 RQGDGOLRHIUILD-QGZVFWFLSA-N 432.800 5.854 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCCCC3)cc1 20152268 QZCGJBFATKMSCJ-UHFFFAOYSA-N 445.415 6.625 0 40 IKAB On1c(-c2ccccc2)c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c2ccccc21 20192851 AWCHUXOBSHQALF-VWLOTQADSA-N 425.919 6.796 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OCC)c2)n2c(nc3ccccc32)N1 20672272 OXABHGIHDRGZCQ-XMMPIXPASA-N 449.551 5.466 0 40 IKAB CC(C)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 21042960 ICFFLFAGMHIHPD-UHFFFAOYSA-N 449.913 5.618 0 40 IKAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1 22110493 SPTZOMLQKQBWCE-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB COc1cc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)c(OC)cc1Cl 22239289 PWFARZXFSOKKLA-UHFFFAOYSA-N 441.846 5.260 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 24442631 WBLYQEGLZYBOAU-UHFFFAOYSA-N 446.506 5.326 0 40 IKAB Cc1ccc(OCCCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30861287 YTCLZFZJODCTBD-UHFFFAOYSA-N 444.575 6.343 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1cccc2ccccc12 32115445 ODPGGLHCBONIND-UHFFFAOYSA-N 434.829 6.832 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 32118792 ZJHVIOVLXJGDJA-UHFFFAOYSA-N 445.613 6.433 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 34858591 JLFMHBKYLWAKFZ-SFHVURJKSA-N 442.588 5.656 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Cl)c1OCc1ccc(Cl)cc1 35077535 VPENYNZUZHOKQS-UHFFFAOYSA-N 438.420 6.379 0 40 IKAB O=C(Nc1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1)c1cccc(Cl)c1 35264011 UWODQXFKUCPKCJ-UHFFFAOYSA-N 441.339 6.713 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 36025447 VCYLUWWVUJRDTH-TZIWHRDSSA-N 425.569 5.385 0 40 IKAB biogenic O=C(Nc1ccc(F)c(Cl)c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38772090 WZSMYSMNBCDTFQ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1 38991448 ZWWFPTNHBKGDFJ-SANMLTNESA-N 426.560 5.519 0 40 IKAB Cc1nc2cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)ccc2n1-c1ccccc1 40039838 PUJRLWVMWWNZBR-UHFFFAOYSA-N 445.473 5.351 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1 59474763 KMAAENQRHUFIHA-UHFFFAOYSA-N 441.537 5.871 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 59477573 SYFMKHHGWGZJST-FYWRMAATSA-N 434.495 7.024 0 40 IKAB Cc1cc(C)cc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 67245644 LTSDKHRIDZRASC-UHFFFAOYSA-N 434.970 5.096 0 40 IKAB COc1cccc(N2C(=O)/C(=C/c3ccc(C(C)C)cc3)N=C2SCc2cc(C)on2)c1 69873082 GBTWSDKZCNFGRA-QRVIBDJDSA-N 447.560 5.792 0 40 IKAB O=C(CCc1nc(-c2ccco2)no1)O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72307970 UMQCJDBBWZVGBI-OAHLLOKOSA-N 434.292 5.128 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(Cc5ccc(F)cc5)cc(C)n4)C3)nc2c1 72354197 NGABSSPAZDSBLK-JOCHJYFZSA-N 442.538 5.096 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1/C=C/c1ccccc1 95115964 NECJNVCTPVHMCG-NSFRLNINSA-N 447.538 5.542 0 40 IKAB Cc1cc(-c2c(C)nn(-c3nc(-c4ccc(Cl)cc4)cs3)c2O)n(C(C)(C)C)n1 100334421 YQWPBJQSPKVKJB-UHFFFAOYSA-N 427.961 5.590 0 40 IKAB CC(C)(C)C1=NN(c2ccccc2)C(=O)[C@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C(C)(C)C 100989750 HVUYFELWXZRABM-BGYRXZFFSA-N 430.552 5.117 0 40 IKAB O=C(CC(=O)c1ccc(-c2ccc(C(=O)CC(=O)c3ccccc3)cc2)cc1)c1ccccc1 104142837 CKVCCVWLSUKOIG-UHFFFAOYSA-N 446.502 6.265 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 106698453 JDZKRDJCZVWEFY-UNOMPAQXSA-N 425.506 6.115 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(Br)c1OC(C)C 106989133 WLFKOVYRACUVGW-UHFFFAOYSA-N 433.173 6.554 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1cc(Cl)c(Cl)cc1Cl 108094907 LUPHBJDINBVBDW-UHFFFAOYSA-N 425.562 6.140 0 40 IKAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 108131602 OXMYYVUXXDKODS-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc34)ccc2C)c1 222849377 NUUBAKQPXCXXRS-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222851072 HHWIRIYXRPKZGD-UXHICEINSA-N 441.940 5.074 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 223389252 YDZHGUPCQKDXSU-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 223854245 MEQJGGIGYYZUGV-RPBOFIJWSA-N 446.620 5.888 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 223952195 OZOSNJVPBMRAGE-HXUWFJFHSA-N 430.614 5.359 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC(C)(C)CC(C)(C)C)ccc1Cl 223956225 SLVOIRIDHQRMKE-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224228844 LWDBJVDQNDDSGL-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cc(C)cc(C)c2C)c1 224282970 NVACZUUQWWSXBS-UHFFFAOYSA-N 431.576 6.577 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 224366060 DMRJLKFTKLSKAM-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1 224543359 XMHHHIJYELYKJI-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)C 224571710 XXVMNCADZDXCFV-QFIPXVFZSA-N 445.603 6.539 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C)c(C)c1 224622718 QGLRRNVFVJYGKB-UHFFFAOYSA-N 433.504 5.305 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc2ccccc12 224635775 DJRUIJBKIJPCMO-UHFFFAOYSA-N 443.568 6.792 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)ccc1F 224894559 MHGBXJOEKVPYHW-RPWUZVMVSA-N 443.551 5.200 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 225160418 XPXQXOHMOWQTAE-LJQANCHMSA-N 445.003 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225587060 WZGILZPMSSAGGT-XMSQKQJNSA-N 447.044 5.463 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 225631721 FLPQXSBQPHFPFP-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccc(Oc2ccccc2)cc1 225740279 PLDKMRIOUCDXLN-UHFFFAOYSA-N 449.304 5.195 0 40 IKAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257209133 BPECCAPTJRPVFD-QHCPKHFHSA-N 430.483 5.162 0 40 IKAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)cc1 257303855 SJASKKZIJCONKD-IBGZPJMESA-N 429.520 5.084 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)cc1Cl 408608084 MPYYWJGIQSFANG-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 408620389 IOAXOXSRBSARRE-IYZJKTGWSA-N 434.322 5.564 0 40 IKAB CC1CCC(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 408647151 BGEVIEQTYWXRNE-RVSUYCCRSA-N 440.370 5.158 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1Cl 408647910 WAHKIODIIMPJRF-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1Cl 408697141 DZJWKKMRARGBID-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc(Cl)c2Cl)C1=O 408800536 NRWPAGKEPUQMHM-UMGVBXAYSA-N 446.423 7.047 0 40 IKAB COc1ccc(OC)c(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c1 408968715 BQPLSLPDZJVNCS-ZSOIEALJSA-N 434.300 5.570 0 40 IKAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccccc1F 409030525 GCQXVQPKRUHJHT-STZFKDTASA-N 448.519 5.018 0 40 IKAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409173613 MMZAYWSODORDRV-HKTXXRBESA-N 434.649 6.245 0 40 IKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(CCc2cc(Cl)cc(Cl)c2)n1 585265673 XKJBSOVNSPJGKY-UHFFFAOYSA-N 444.358 6.636 0 40 IKAB CC(C)c1csc(CCN2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)n1 1547208774 GTAJJOWTPUXVMH-UHFFFAOYSA-N 445.013 5.848 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)c(OC)c1 652465 LFVSWDWNNWXGQT-UHFFFAOYSA-N 448.906 5.833 0 40 IKAB CCc1ccc([C@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 683328 OULJLHWAYCXJAP-KRWDZBQOSA-N 429.343 5.089 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4C(F)(F)F)c23)C1 912303 VMKVGSBYEPUAAK-NSHDSACASA-N 437.512 5.566 0 40 IKAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)cc1 990106 JRTAAIJYRVGGEA-LJAQVGFWSA-N 441.571 5.688 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1371177 KBUGBQHYTVDCFS-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB CCOC(=O)N1CCc2cc(OC)c(O)cc2[C@H]1Cc1ccc(OCc2ccccc2)cc1 1559558 YYQLMWGRPLCJFW-XMMPIXPASA-N 447.531 5.278 0 40 IKAB biogenic CC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)cc1 2079302 JHLGXHHERNPJDS-UHFFFAOYSA-N 431.557 6.730 0 40 IKAB CC(C)c1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 2097980 JUKJYYXSCZQVDF-AHWVRZQESA-N 441.575 5.902 0 40 IKAB biogenic COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc(OC)c3)n2)cc1 2115393 ZYWJNXSHTHDOJX-UHFFFAOYSA-N 437.499 5.330 0 40 IKAB biogenic COc1ccc2oc(=O)c(-c3nc(-c4ccc(Sc5ccccc5)cc4)cs3)cc2c1 2240173 ZQYMFWAHFKSWMY-UHFFFAOYSA-N 443.549 6.743 0 40 IKAB O=c1oc2ccc(Cl)cc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1Cl 2576877 QENIHHZLQLQSLN-UHFFFAOYSA-N 436.121 7.741 0 40 IKAB biogenic CN1C(=S)N(C)[C@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1c1ccccc1 2616109 HDDZDLSQJOMDTH-HSZRJFAPSA-N 447.991 5.593 0 40 IKAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3234811 HMHDKNJFRNAQQA-UHFFFAOYSA-N 445.142 6.071 0 40 IKAB COc1ccc(OC)c(/C=C/C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 3328684 KLMWVHJGZVNICJ-IZZDOVSWSA-N 434.458 5.365 0 40 IKAB Cc1nnc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1Cc1ccccc1 3533817 LURIVUNFGUELKQ-DEOSSOPVSA-N 447.535 5.674 0 40 IKAB O=C(c1cc(-c2ccccc2)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 3669714 RRZJAZKBSDQSDT-UHFFFAOYSA-N 430.572 8.097 0 40 IKAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 4428300 YXHQCPFGXOFHLR-RLQUZOAZSA-N 442.558 7.122 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 6074149 ODTVZVMYGHTXFS-UHFFFAOYSA-N 448.592 5.308 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1 6150352 QXMHGXKSTXCBJE-VOIUYBSRSA-N 426.391 7.009 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756197 IFXPGFYICLGZFL-LJQANCHMSA-N 429.495 5.083 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccc(Cl)cc3)cc(O)c2C(=O)O1 8918369 SHEUNWNBJVAJOA-GALSZHCDSA-N 442.939 6.106 0 40 IKAB Cc1oc2cc(OCC(=O)NCc3cccs3)ccc2c(=O)c1-c1ccc(Cl)cc1 8991523 KOTFLMOTICGPLN-UHFFFAOYSA-N 439.920 5.179 0 40 IKAB CCC(=O)N(c1nnc(SCc2csc(-c3ccc(CC)cc3)n2)s1)C1CC1 9337409 WVSCIQRQFPLUOS-UHFFFAOYSA-N 430.624 5.422 0 40 IKAB C[C@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 9346461 YNRKYFUNPRGPSW-HNNXBMFYSA-N 432.998 5.551 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1C(C)C 9479915 WLXOEKNXIWQOJQ-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2c[nH]c3ccccc23)cc1 9507751 ILODYJBBIJAANR-IBGZPJMESA-N 434.565 5.476 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)cc1OC 9518437 OYBXNRGOKCJBOD-UHFFFAOYSA-N 436.508 5.611 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4cccc(Cl)c4)c(C)s3)CC2=O)cc1 9581273 LIFJDJFZJDYHBL-MRXNPFEDSA-N 425.941 5.072 0 40 IKAB CC(C)(C)[C@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1 9597944 PORSHRGDSAHHFY-AWEZNQCLSA-N 447.366 5.630 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 9669719 MEZMRUQKZZRPFW-VWLOTQADSA-N 434.536 5.637 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1 9838607 CDKBIUXWEUEDES-UHFFFAOYSA-N 438.936 5.863 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 11116386 WVXVIMMSLHDULY-SFTDATJTSA-N 427.957 5.165 0 40 IKAB Cc1c(C(=O)Nc2ccccc2)c(NC(=O)C2CCCCC2)n(Cc2ccccc2)c1C 12062022 OKRDSMYPHIFXEV-UHFFFAOYSA-N 429.564 5.924 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12194946 UCNVAOVGCZIFHQ-URXFXBBRSA-N 448.906 5.378 0 40 IKAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@H]1c1nc2ccccc2[nH]1 12603796 SXTGYSZEZCZJEX-VMSUTVGLSA-N 449.404 5.143 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 12847267 KBBWNUBRZHPWHK-ROUUACIJSA-N 434.849 5.758 0 40 IKAB Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Sc2ccc(F)cc2)cc1 12955028 UICRFKZNAKVWME-UHFFFAOYSA-N 436.533 5.575 0 40 IKAB CCCC(=O)Nc1ccc(C(=O)[C@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 12978599 UNUGVVNCSHEBIV-SFHVURJKSA-N 448.519 5.136 0 40 IKAB COc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)cc1OC 13006931 YXBYJXGKMMJOCO-UHFFFAOYSA-N 440.543 5.542 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cc1OC 13134021 ICBOLYYWROHHST-QHCPKHFHSA-N 438.527 5.726 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3ccc(F)cc3)cc2c1 13513912 KKNYEWGZAXKNEP-UHFFFAOYSA-N 432.926 6.487 0 40 IKAB COc1cc(/C=C/c2cc[n+](C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 13565510 QRTLXOJEXKEIDT-ONEGZZNKSA-O 444.338 5.014 0 40 IKAB CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628355 OBYDFXGNIYTZNR-UHFFFAOYSA-N 430.548 6.278 0 40 IKAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)c1ccccc1 14117299 FMOGFPKYFGPUMA-GOSISDBHSA-N 438.597 5.143 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 14272590 HXHRVHBHIMUHOM-UHFFFAOYSA-N 448.522 7.201 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cc3ccccc3o2)c1C 14405571 PZAYJLHSKOVMGP-UHFFFAOYSA-N 430.508 5.551 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(O[C@@H](C)CC)cc2)c1 14831548 QKRZMWUJGXDKJE-AWEZNQCLSA-N 447.988 5.383 0 40 IKAB O=C1/C(=C\Nc2cccc(F)c2)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 15906008 HQLWOUPTQLWIEE-AQTBWJFISA-N 426.369 5.485 0 40 IKAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OC(=O)c1ccco1 15947503 DSHDFUDUMXINMD-FKIZINRSSA-N 438.505 5.123 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 15975130 JGSRVEJWRTVZMR-XHDPSFHLSA-N 429.945 5.766 0 40 IKAB CCCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1nc(C)n2C(=O)CCC 16777266 NYEAINMBJBMAMV-UHFFFAOYSA-N 439.368 5.539 0 40 IKAB COc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 16916145 OKHDUJVVWXHZNS-UHFFFAOYSA-N 435.574 5.274 0 40 IKAB COc1ccccc1[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 17286432 YMIRQPILRMRKAJ-YTTGMZPUSA-N 440.586 7.862 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC 17302413 PHVVYEBAQIQMHQ-UHFFFAOYSA-N 441.487 5.130 0 40 IKAB Clc1cc2c(cc1CN1CCC[C@@H]1c1nnc(-c3nccc4ccccc34)o1)OCO2 19376468 SVJVRPXALNSDNK-GOSISDBHSA-N 434.883 5.004 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2s1 19632496 PYCIAJGREFHMLH-UHFFFAOYSA-N 440.594 5.285 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 20063129 ORDZTCAJJSZFEH-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccccc1Sc1ccccc1)cn2C 22237359 VJEZNSYWXZNZBT-UHFFFAOYSA-N 430.529 5.341 0 40 IKAB CCCCc1noc(CSc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 24836847 LMFMULKZOZCYDK-UHFFFAOYSA-N 427.555 5.022 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 30753282 SQFDETCSTBSXIV-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB Cc1cc(C)c(NC(=O)CCCSCc2coc(-c3ccc(Cl)cc3)n2)c(C)c1 31423728 VEWCBIJEGPVPTQ-UHFFFAOYSA-N 428.985 6.572 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623579 UMZSEYJVWVSPMZ-HNNXBMFYSA-N 449.894 5.472 0 40 IKAB Cc1cccc(CSc2nc3c(-c4ccccc4)cn(C)c3c(=O)n2CCC(C)C)c1 33114612 RORDISHZYINXIE-UHFFFAOYSA-N 431.605 6.049 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 35550816 GZYVZMWMBUTUMQ-QMYADUOMSA-N 431.356 5.308 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(OCc2ccc(F)cc2)c1 40068311 QQPQGJFBYZLOIF-RUZDIDTESA-N 430.479 5.307 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Br)c1 40943653 LPDBIFGYIXXLMR-UHFFFAOYSA-N 436.655 5.701 0 40 IKAB C=Cc1ccc(Cn2cc(-c3nc(-c4ccc(C)cc4)no3)c(=O)c3cc(CC)ccc32)cc1 57354757 LAXUZYLBXPCOIP-UHFFFAOYSA-N 447.538 6.281 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228804 PCURXLBQEFMUKS-UHFFFAOYSA-N 434.565 5.350 0 40 IKAB CC/C(=C1\c2ccccc2OCc2cccc(OC)c21)c1cccc(NS(C)(=O)=O)c1 95921019 PHIKAOOZNGLKDI-QQTULTPQSA-N 435.545 5.328 0 40 IKAB in-vitro CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccccc1Cl 102650672 RSKLBVAJBPWPTQ-RUZDIDTESA-N 436.983 7.323 0 40 IKAB FC(F)Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN21 105833430 SYYYXSMEMGDUPA-DENIHFKCSA-N 426.850 6.184 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)cc1 106974962 KBUJRLIHXDYXPY-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958850 MEWSBGJRCCCMBF-QFIPXVFZSA-N 442.603 5.641 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 222605677 MCODFFANQSAFPS-YDFBLROQSA-N 438.021 6.476 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NCC(C)C)c1 224144979 ZARTWPFKLPAWQI-QFIPXVFZSA-N 440.653 5.035 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224164806 FJNPCSVLVSPCAX-HNNXBMFYSA-N 430.331 6.072 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224224015 YBSKRNZLJVSRTR-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1C 224280309 DHESPFPWKPMKGR-RPBOFIJWSA-N 443.547 6.275 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225026831 SQMJPFLKDQEKFG-CLCOLTQESA-N 438.552 5.425 0 40 IKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1O[C@@H](C)CC 225823521 HVPGGJWFNAZPAL-IBGZPJMESA-N 435.605 5.847 0 40 IKAB C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 247653891 OFMXGFHWLZPCFL-DAQOKEOHSA-N 426.729 8.457 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(Cl)cc1 408569271 ZXTQCALVCNSNMP-UHFFFAOYSA-N 425.706 5.321 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 408684754 NYRIYIPBDSTILJ-JOCHJYFZSA-N 433.356 6.090 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)c(C)c1 408699670 VOVKQCLOILAZLR-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)c(OC)c2)S1 408802277 XXZOMOMZECSQGB-UHFFFAOYSA-N 447.964 5.155 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)ccc1O 408804943 HOAAUDLRFNXQAL-IITPGXHISA-N 437.585 5.845 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(Cl)cc1OC 408873034 MCACIKPLLOLAIE-NVMNQCDNSA-N 438.332 5.637 0 40 IKAB COc1cc2c(cc1C)-c1nc(Nc3ccc(I)cc3)sc1CC2 408885639 DFVMFQKUUIUVCU-UHFFFAOYSA-N 448.329 5.574 0 40 IKAB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)N(C)C1=S 409038372 OORNAFYYEDFWGO-SXGWCWSVSA-N 441.767 5.255 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(Cl)c2)c1 409107693 SMSXXVNQECSSEN-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409177554 GXZKTZSGTGDFSK-UHFFFAOYSA-N 438.332 5.382 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(OC)cc2Br)C1=O 409208190 ABAARPMTGOSMEE-YBEGLDIGSA-N 428.348 5.083 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)Nc1cccc(Cl)c1 409412396 VZZIXHHMNXUDJE-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB O=C(CCCc1nc2ccccc2s1)N1CCCCCCN(Cc2ccccc2)CCC1 643561794 HZKIPUZMEPSZOJ-UHFFFAOYSA-N 449.664 5.914 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(c2ccccc2)CC1 689388 CXVJYDSWEXRDFB-UHFFFAOYSA-N 427.935 5.518 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778400 VSIWUDJWWNZQHS-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 786608 BUFUREVKUZXQEC-RUZDIDTESA-N 432.545 5.112 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 898437 LMTSFLALDDWECI-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB Cc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4ccc(C)cc4)n3n2)cc1 988006 FDEZLKHOFBPXOQ-UHFFFAOYSA-N 439.540 5.513 0 40 IKAB CC(=O)Oc1cc2c(C(=O)NCCc3c[nH]c4ccccc34)c(C)oc2c2ccccc12 1236059 RGJXMJRJMSPTLA-UHFFFAOYSA-N 426.472 5.274 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2104245 RCMPQCKGDIPOLX-OAQYLSRUSA-N 440.594 5.717 0 40 IKAB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 2194901 YJBPAXNOMNBLQI-IZLXSDGUSA-N 440.612 6.455 0 40 IKAB Nc1c(Br)cc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1Br 2214288 KQUISUNPPYVJDD-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4F)cc2-3)cc1 2693387 FKXWUHTUISIGTA-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB O=C(Oc1ccccc1Br)c1ccc(COc2ccc3ccccc3c2)cc1 2750385 ZGMADDKBJLNPQW-UHFFFAOYSA-N 433.301 6.401 0 40 IKAB Cc1ccc(-c2csc3ncnc(Oc4cc5sc(C)nc5c5sccc45)c23)cc1 3244101 WAWFUKGLWGLPGQ-UHFFFAOYSA-N 445.594 7.592 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cn(C)c3ccccc23)sc2c1CCCC2 3581787 PBDNUKBZJVXRGJ-UHFFFAOYSA-N 428.579 5.026 0 40 IKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@@H]2C(=O)Nc2cccc(Br)c2)cc1 3669295 YSZOZQZBMJUAMX-XMMPIXPASA-N 448.404 6.519 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@@H]4CCCCCCC[C@@H]4[C@@H]3C2=O)cc1 5941018 VCDXHZUBOZUMDL-PXTBKIQTSA-N 442.559 5.907 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 6023354 NPEUXSMVPWBZJU-SFHVURJKSA-N 439.621 6.682 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8400771 GAMANWJXGOFAST-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 8606568 REEOCKKOJRYJIB-SANMLTNESA-N 439.515 5.317 0 40 IKAB aggregator CCCOc1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 8739443 AGFFUPHVCSAVMO-NKFKGCMQSA-N 438.552 5.427 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 8831853 JZOLWINCOMCRIK-UHFFFAOYSA-N 443.355 6.839 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 8831946 RAIRTICYDXJOML-UHFFFAOYSA-N 440.930 7.677 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 9215710 ZQXZIHPZHHMPHC-OAQYLSRUSA-N 441.524 5.014 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 9220633 ZKNPBOIRFWTGCH-UHFFFAOYSA-N 433.552 5.133 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 9272518 MBWACYIAXKKYPA-MHZLTWQESA-N 437.587 6.098 0 40 IKAB Cc1ccc([C@@H](c2ccc(C)o2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 9327474 DXJDCUUOVWECFO-AREMUKBSSA-N 431.557 6.186 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccccc1)N2 9346212 OQQJQJAWBFNHGR-JKLYREDQSA-N 439.494 5.215 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)s1 9452175 CZAHJPZRCSZXAX-QZIMMCEPSA-N 431.399 6.269 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 9481726 DNKLAWPSIYKGKP-UHFFFAOYSA-N 426.498 5.185 0 40 IKAB COc1ccc(C(=O)CSc2nnc(Cc3ccc(Cl)cc3)n2CC(C)C)cc1 9615130 KFUNJCFPSCDBRQ-UHFFFAOYSA-N 429.973 5.162 0 40 IKAB Cc1cc(CSc2nnc(-c3ccccc3Br)n2Cc2ccccc2)no1 9762642 UDIINFHBGGKGFL-UHFFFAOYSA-N 441.354 5.345 0 40 IKAB CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Br)c2)CC1 9849534 VNXBXJSEZOMQFW-UHFFFAOYSA-N 443.429 5.490 0 40 IKAB Cc1ccc(C)c(OCCC(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 9961120 MYEJHAKJPUVDJD-UHFFFAOYSA-N 430.715 5.214 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 10212814 GACPTEMBUNMLQZ-HNNXBMFYSA-N 443.507 5.163 0 40 IKAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 11398447 NUHZWLZXBGCGEV-LBPRGKRZSA-N 440.377 5.096 0 40 IKAB Brc1ccc(-c2nnc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc1 12550342 JFBOHYMOGNATGO-UHFFFAOYSA-N 427.305 6.116 0 40 IKAB Cc1sc2nc(CN3CCCCC3)nc(Oc3ccc4c(C)cc(=O)oc4c3)c2c1C 12770733 WCPBNKDGROAOPU-UHFFFAOYSA-N 435.549 5.501 0 40 IKAB Cc1ccc(C)n1-c1sccc1-c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 12955275 HDULFDSYGRHKMO-UHFFFAOYSA-N 439.371 6.839 0 40 IKAB CCCCc1nc2cc(NC(=O)c3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1 13502038 STMPQFCCYMRKBP-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(Br)c1 14553051 CIFVPAALYAIDEF-UHFFFAOYSA-N 427.136 5.643 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2cccc(Oc3ccccc3)c2)cc1 15980199 QCRNBXSBDHINEP-UHFFFAOYSA-N 447.487 5.231 0 40 IKAB Cc1cc(-c2ccccc2)c2cc(-c3ccc4nc(C)cc(-c5ccccc5)c4c3)ccc2n1 16268852 DSUYFWGLHXNTPF-UHFFFAOYSA-N 436.558 8.401 0 40 IKAB O=C(NCCCn1ccnc1)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 17094302 RJKOFWGHULOCBT-UHFFFAOYSA-N 425.319 5.225 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCCC[C@@H]2C)cc1 17096380 FGLGOTXQOCWOFN-XNWJVHIKSA-N 429.358 5.488 0 40 IKAB Cc1ccc(-n2cnc3cc(Nc4nnc(-c5ccccc5)c5ccccc45)ccc32)cc1 17161307 YWNMZWZNMICVDH-UHFFFAOYSA-N 427.511 6.688 0 40 IKAB Cc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1 19635577 GGLOEQIOCDESRI-UHFFFAOYSA-N 442.412 6.718 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(C(C)C)cc1 19641070 WWIPSZFLXHKBNB-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCOCC1 19901518 AATXPCZOCYBGKG-RUZDIDTESA-N 440.587 5.285 0 40 IKAB Brc1ccc(-c2n[nH]c(SCc3cccc(Br)c3)n2)cc1 19927922 PFVAWYNSXBKNBP-UHFFFAOYSA-N 425.149 5.289 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 20571378 CLPRSCSMDNPPFN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)CCn3c(-c4cccc(C)c4)n[nH]c3=S)c2C)cc1 24778811 RLGOJUQRUJHSNJ-UHFFFAOYSA-N 446.580 5.056 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 25039669 SFRQEUPERBJNMF-AWEZNQCLSA-N 447.568 5.398 0 40 IKAB CCCCc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1 27585098 NNDCZDNCAHDEAT-UHFFFAOYSA-N 432.571 7.458 0 40 IKAB Brc1ccc(-c2nnc(CSc3nnc(C4CCCCC4)o3)o2)s1 27719458 FTQIMKCZVBOZEM-UHFFFAOYSA-N 427.349 5.284 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@H]1CCCCN1C(=O)c1cccs1 30857273 LRBOPDAWSINVEH-GFCCVEGCSA-N 437.999 5.220 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578643 JCEWFLSWSKUXFB-UHFFFAOYSA-N 439.393 5.587 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@@H](C)CC5)o2)cc1 32741639 OFZISRUMFTVDHP-QWHCGFSZSA-N 437.594 5.610 0 40 IKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(OC)cc4OC)no3)nn2)cc1 33262471 HZWLZLFVEYNMIJ-UHFFFAOYSA-N 434.521 5.066 0 40 IKAB CCOc1ccc2nc(NC(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)sc2c1 33365987 YNNWTFCIYHVUKZ-UHFFFAOYSA-N 436.920 5.832 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cc(Cl)ccc1Cl 35176692 ZUNXCTVDYSXVPS-UHFFFAOYSA-N 428.772 5.374 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)cc1 35341132 LFELLXXFJUAGRK-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1ccc(Cl)cc1 35400326 SYIKUWDKOLAVCI-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB COc1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)c(OC)c1 35644575 ZQEDEEDZDJJDDF-FRKPEAEDSA-N 442.846 5.268 0 40 IKAB CCCSC1=NC2(CCN(C(=O)NCc3ccccc3)CC2)N=C1c1ccc(C)cc1 65329833 DGVLFELDJIHRCB-UHFFFAOYSA-N 434.609 5.041 0 40 IKAB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782837 IBNFQZMCZXLXIE-CKENVCLCSA-N 448.651 6.290 0 40 IKAB Cc1ccc(NC(=O)[C@H](Nc2cccc(Oc3ccccc3)c2)c2ccccc2)cc1Cl 72235953 ZWLVBIWPAJOYRK-AREMUKBSSA-N 442.946 7.233 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C2CC2)c1 72295964 AMYXSWIICAPHBV-SFHVURJKSA-N 443.522 6.200 0 40 IKAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 72350373 SAZBDAYNBCQFCH-QFIPXVFZSA-N 432.539 5.159 0 40 IKAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 95480428 IBRLGWYZSDIPSD-OAQYLSRUSA-N 446.982 5.598 0 40 IKAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 101229333 LQVVRETYJPAIQE-UAOJZALGSA-N 444.457 5.043 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 210201133 NQISXRXGHGOXQS-HYARGMPZSA-N 435.932 6.468 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219840051 SPVUASSHIUGHFG-UHFFFAOYSA-N 436.939 5.701 0 40 IKAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220735804 YZSFCIKMXVYQPT-NRFANRHFSA-N 437.005 5.174 0 40 IKAB COC(=O)c1ccc(NC2CCCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223414477 FCHMHNHQHGNMDC-UHFFFAOYSA-N 436.961 5.062 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccc2c(c1)oc1ccccc12)c1cccc2ccccc12 223699648 AYYVRGOROUYWOV-UHFFFAOYSA-N 444.512 5.144 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 224727908 RRLJBJJDNMRZGQ-VNLJKWRZSA-N 448.588 5.412 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 225340670 IGWHPFNTBRXLQB-DQEYMECFSA-N 446.620 5.963 0 40 IKAB CCOc1cccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225440232 VZJKTWVAHKJRNA-UHFFFAOYSA-N 446.616 6.100 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225535940 CXTLHLALFNKJFX-LJQANCHMSA-N 447.044 5.132 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC 225763749 TYRODSJDSRYMBZ-KRWDZBQOSA-N 443.971 6.145 0 40 IKAB O=C(/C(=C/c1ccccc1Cl)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 408562911 GSWHLRPKYDTGTN-OBOROZHESA-N 442.990 5.738 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cc2c(ccc3ccccc32)o1 408616539 AGRHRHXOWVTTJD-UHFFFAOYSA-N 430.356 6.556 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 408622378 PBEPDXSZQOFGHO-YWNXVRHISA-N 425.912 5.210 0 40 IKAB CC(C)Oc1ccc(Br)cc1/C=C(/Sc1nc2ccccc2o1)C(=O)O 408635331 ZKFALCKRECOUNX-LICLKQGHSA-N 434.311 5.595 0 40 IKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 408646145 VPTZQVLBHVAWIK-GOSISDBHSA-N 434.923 5.686 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1 408723592 XJNMSKQYXFWMMJ-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc3ccccc3c2)cc1 408725439 OZRKLZNHEGQONF-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1ccc(Cl)cc1 409145841 SDGNOOIJPULMPC-DEDYPNTBSA-N 447.940 5.000 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3)c(OCC)c2)C1=O 409214598 WIFIWYWTVUEURR-JWGURIENSA-N 425.550 5.891 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2c(C)cccc2C)n1CC 409331634 OARGJORFFJTESB-UHFFFAOYSA-N 438.597 5.095 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)cc1 409380772 HYWQWYPFHBVWBG-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(/C=C/c1ccco1)N1CCC(c2cc3ccccc3c(Nc3nccs3)n2)CC1 585293120 XGEALTKWLIPCMW-BQYQJAHWSA-N 430.533 5.447 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@H](Cc4cnc5ccccc5c4)C3)c2C)cc1 585294159 RMBAVDWVQUNYSU-OAQYLSRUSA-N 436.555 5.924 0 40 IKAB CCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1ccc(OC)cc1OC 643398 FYOQSWBEULQKKM-UHFFFAOYSA-N 430.957 6.254 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 658575 GMVMCVQFXFKCGB-UHFFFAOYSA-N 431.414 5.956 0 40 IKAB COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC 729507 IDVWAKXQPFNNCL-RPWUZVMVSA-N 437.923 5.510 0 40 IKAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861382 SLHUCIDDZHKHHM-DEOSSOPVSA-N 428.488 5.159 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2cccnc2)cc1 873211 MAXIAJZJOKXHIW-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1 898721 TZDGKCJCQTUKRL-UHFFFAOYSA-N 432.524 5.302 0 40 IKAB O=C(CCSc1nc(-c2ccc3c(c2)OCO3)cc(C(F)(F)F)n1)Nc1ccccc1 920145 OSSHJJGOKMNINB-UHFFFAOYSA-N 447.438 5.012 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)c1ccccc1 976880 UEHUNMYSWYPQFZ-UHFFFAOYSA-N 428.561 5.346 0 40 IKAB O=C1S/C(=C/c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 1101160 HWANHLYMRFRQHC-CAOOACKPSA-N 432.284 5.336 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1353244 DGGQVGCHOKLMBG-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)NC3CCCCC3)c(=O)[nH]c2c1C 1378392 DGFHUSMSGUJVLU-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB CCCCCCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc1=O 1902780 OSOPALOQCRTTHH-UHFFFAOYSA-N 432.482 7.130 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2104347 RWGWWOVBVPYLAC-JOCHJYFZSA-N 438.553 5.557 0 40 IKAB Cc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c(C)c1 2119536 LIOHADHOPVUUGY-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1ccc(Cl)c(Cl)c1 2280751 YHLRMCUHXUCANY-UHFFFAOYSA-N 446.355 6.673 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1cccs1 2322065 UPUKRRCVWDKFSG-UHFFFAOYSA-N 433.554 6.573 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1cccc(Cl)c1 2434479 ZXIFQPYMTHNSNE-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)C(=O)N(c1ccc(Cl)c(Cl)c1)C2=O 2630708 BBKYBVLIGCMSLP-UHFFFAOYSA-N 447.224 5.325 0 40 IKAB O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(Cl)cc1 2683845 GNXJPBMQIYRILC-QURFURGYSA-N 442.002 7.382 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccc(OC)cc1 2692226 NBTBNZJDPOQSCM-UHFFFAOYSA-N 439.515 5.667 0 40 IKAB COc1cccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)c1 2750900 WFXVDEWXLPMGLF-UHFFFAOYSA-N 437.539 6.117 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 2790461 JHYGPZOPGFKZRI-LBPRGKRZSA-N 436.371 5.453 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 3016906 BIFVYZFHJIFDNW-XQNSMLJCSA-N 445.946 6.561 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)OCC(=O)c2cccs2)cc1 3227914 ACQRMXKNGHBRCH-SDNWHVSQSA-N 444.512 5.049 0 40 IKAB COC(=O)[C@]1(C)CCC[C@]2(C)[C@@H]3C[C@H]4C(C(C)C)=C[C@]3(CC[C@@H]12)[C@@H]1C(=O)CCC(=O)[C@H]41 4028970 DCGMIQMNIOQACA-CSAIHQNMSA-N 426.597 5.149 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)cc1 8617326 PEVLMRSVWWDBJA-UHFFFAOYSA-N 430.529 5.390 0 40 IKAB c1ccc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@H](c3ccccc3)C2)cc1 8694703 KVYMKQNZVQXAJO-MHZLTWQESA-N 431.564 7.319 0 40 IKAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1 8720021 GBLXGAYZLZGDNG-QHCPKHFHSA-N 427.529 5.123 0 40 IKAB c1ccc(Cc2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2ccccc2)cc1 8756735 KDOVSRLONODAPQ-VWLOTQADSA-N 440.506 6.154 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 8776078 XVADSWGAWXLQRM-HXUWFJFHSA-N 444.604 5.438 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 8870304 WXSBUBQTBTXJMO-UHFFFAOYSA-N 435.501 5.386 0 40 IKAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(CCCC)c3c(c12)CCC3 8997310 ZCHPKKQWNXTMTR-UHFFFAOYSA-N 443.638 5.896 0 40 IKAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N1CCC(c2c[nH]c3ccccc23)CC1 9220471 DDBYLYMQHVQVAK-UHFFFAOYSA-N 432.527 5.798 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccc(Cl)cc2)c(C)c1 9233219 TUWKVCRSBOOTLV-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1ccc2c(c1)C1=C([C@@H](c3ccc(C(C)C)cc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 9293638 HVVUEJNVKJTPPU-CLJLJLNGSA-N 435.531 5.318 0 40 IKAB O=C(c1nc2ccccc2s1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1 9402344 MALNGQHTCZNIBZ-UHFFFAOYSA-N 438.484 5.426 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9462677 QJFWQIYJALARHV-UHFFFAOYSA-N 434.540 5.242 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)c(=O)[nH]c2c1 9462679 QMZHCUJTIRSKRA-UHFFFAOYSA-N 430.592 6.109 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1cc2ccccc2o1 9518399 BYUBXORKTYQPMK-UHFFFAOYSA-N 432.382 5.962 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 9675970 MOYSOKYZJQVPCO-UHFFFAOYSA-N 429.907 6.301 0 40 IKAB O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1cc(Cl)ccc1Cl 9724191 LLWZDKPXTPBQCQ-UHFFFAOYSA-N 426.343 6.262 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 10013004 FUCJKHJINIJPOC-UHFFFAOYSA-N 434.495 6.274 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 10119702 JKUXKPOAWIZZOE-UHFFFAOYSA-N 449.348 6.689 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10689566 CDUGTELWNHGOKY-QHCPKHFHSA-N 437.568 5.782 0 40 IKAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCc2cccs2)CCOCC1 12231513 QCPYRIFQSHKWPW-UHFFFAOYSA-N 439.552 5.219 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2NCc2ccc(F)cc2)cc1 12419644 IJFVTLKBWUCLLP-UHFFFAOYSA-N 428.510 5.296 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)c2ccccc21 12547047 NMWMEYRQVFHDQH-WCRBZPEASA-N 443.543 5.450 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 12569537 KRMHTMWWLANUCO-OSPHWJPCSA-N 447.629 5.525 0 40 IKAB CCCCCC[C@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12584029 ZBOOXSDPGRNKQI-QFIPXVFZSA-N 436.599 7.658 0 40 IKAB CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 12596993 QBCNJXUUQBDROK-UHFFFAOYSA-N 434.590 5.137 0 40 IKAB Cc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c2c(C)c(C)sc2n1 12636703 RWMYHXWMNKWKSS-UHFFFAOYSA-N 449.626 6.538 0 40 IKAB CC(=O)c1sc(NC(=O)c2ccc(Cl)c(N3CCCC3=O)c2)nc1-c1ccccc1 12766897 BJJMINONPYJIAX-UHFFFAOYSA-N 439.924 5.045 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)C(C)(C)O2 12875409 LCKFFQIDUKSJRJ-UHFFFAOYSA-N 432.495 5.399 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(-c4ccccc4OC)o3)cs2)cc1 12902391 UGOHWEBMQPGSSU-UHFFFAOYSA-N 425.535 5.560 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(C)cc3Cl)C2)c2ccccc12 12922422 SQHZHOBBPANHRA-QGZVFWFLSA-N 436.939 5.301 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCCN3C(=O)c4ccccc4C3=O)nc2c1 13018076 BIWVXXFRHZXVRG-UHFFFAOYSA-N 440.524 5.299 0 40 IKAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 13039253 AVPSPJJCBUHCHH-SHQCIBLASA-N 442.559 5.743 0 40 IKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13095856 ADFXSGIGOHSBKJ-UHFFFAOYSA-N 436.393 5.367 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(SCC(C)C)c2c1C 13150459 NVAGLXLCCUVXNY-UHFFFAOYSA-N 432.636 6.217 0 40 IKAB O=C(Nc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CCCC2)c1)c1ccccc1Cl 14095083 MZJFULZGEKHLFE-XMMPIXPASA-N 445.950 6.101 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)c1 14153861 PQTRLADVVOPUPG-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 14272081 UDCLNBRYQGFORU-UHFFFAOYSA-N 448.309 7.049 0 40 IKAB CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@@H]1[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 15021892 HCCASHTVIJTISL-YTFSRNRJSA-N 448.902 5.189 0 40 IKAB CCCCCOc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(OCCCCC)cc2)cc1 15905883 HPKSGVLDXMGMEW-UIOOFZCWSA-N 444.568 5.981 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 16610469 CJMFBFMMQXIAKC-LBPRGKRZSA-N 433.986 5.562 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3C)c2c1 17136003 BFRUHFGHAPIFNW-UHFFFAOYSA-N 433.577 5.828 0 40 IKAB O=C(Nn1c(=S)[nH]c2sc3c(c2c1=O)CCCCC3)c1cc2c(s1)CCCCC2 19644001 HLGPLDFHAUYVJM-UHFFFAOYSA-N 445.635 5.104 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1N1CCCC1=O 20104511 NTUHMANRQNIGKJ-UHFFFAOYSA-N 438.574 5.074 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20105095 YDIDRKCWNLGSAR-UHFFFAOYSA-N 436.559 5.064 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 20633280 HCKHQWROXBANHM-DEOSSOPVSA-N 449.551 5.322 0 40 IKAB CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OCc1ccc(F)cc1 22110485 NCNJHEMUZLOFAM-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN1c2ccc(F)cc2-c2ccccc2S1(=O)=O 24607693 ULWCTBTWEBCKFV-UHFFFAOYSA-N 438.524 5.072 0 40 IKAB COc1cc(/C=C2\SC(=S)N=C2O)cc(Br)c1OCc1ccccc1 27527578 HPPZMIDITUTGMY-DHDCSXOGSA-N 436.352 5.366 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1nc(-c2ccc3c(c2)CCO3)cs1 28678168 UFKJKXWAZRJYNL-UHFFFAOYSA-N 425.560 5.491 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 30479029 WSTJZHINBVJFQP-UHFFFAOYSA-N 438.449 5.861 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30938679 PTUCAYUJKPOZKU-CYBMUJFWSA-N 432.178 6.151 0 40 IKAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl 32074714 KZKZFBYHQOWNDM-UHFFFAOYSA-N 435.892 6.019 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)C(Cl)(Cl)Cl)ccc3o2)cc1C 32116675 AKTJELIKNWVXOM-UHFFFAOYSA-N 442.755 5.295 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127719 ZDILFROKFHVQNQ-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 32461021 OEWDSUKIIYHZPM-OAQYLSRUSA-N 436.581 5.069 0 40 IKAB COc1cc(Br)c(CC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1OC 32740834 PHLIIOJBQYJBRV-CQSZACIVSA-N 428.326 5.039 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 33034262 HQFPKBAYVUKARU-KGENOOAVSA-N 442.316 5.795 0 40 IKAB CCCCc1ccc(-n2c(C)cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3O)c2C)cc1 33583574 YMHPDIRIGSDBMZ-HZHRSRAPSA-N 445.519 5.532 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2F)s1 35671360 RBLMMJDLTSBMJH-UHFFFAOYSA-N 426.498 5.185 0 40 IKAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 37613820 DHPABJAAWYDUQJ-UDFVPUEDSA-N 427.931 5.973 0 40 IKAB Cn1cnnc1Sc1ccc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 58156734 HVMGNPATAUIGPD-UHFFFAOYSA-N 443.557 5.495 0 40 IKAB COc1ccc(NC(=O)c2cnn(C(C)C)c2C(F)(F)F)cc1NC(=O)OC(C)(C)C 60337226 QBADMIPBENGJJC-UHFFFAOYSA-N 442.438 5.091 0 40 IKAB CN(C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@H](c1ccccc1)c1ccc(F)cc1 65565104 FVENYPAMSFMMQC-JOCHJYFZSA-N 439.874 5.063 0 40 IKAB CCO[C@H]1CC(=O)O[C@@H](CC[C@@H]2[C@H]3C(=C[C@H](C)C[C@@H]3OC(=O)C(C)(C)CC)C=C[C@@H]2C)C1 67665406 YVEQEBOMQFZSIT-JZVGLLOXSA-N 446.628 5.630 0 40 IKAB in-vitro CN(C(=O)Cc1ccccc1F)c1ccc(NC(=O)Cc2ccccc2F)cc1Cl 78899383 WJEZCEQWAJCVLD-UHFFFAOYSA-N 428.866 5.005 0 40 IKAB C[S@](=O)C[C@@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12)c1ccccc1 83990099 SYQUHSZXRHZGGI-KWMCUTETSA-N 427.982 5.543 0 40 IKAB O=C(N[C@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84392823 SCBCPRWADSDPSV-QMTHXVAHSA-N 438.113 5.484 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 89662162 NYMNHIOZXYHXJA-MOPGFXCFSA-N 446.979 5.144 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(OC)c1 102839778 ZRVPLKLACAGKSC-ORGXJRBJSA-N 430.548 5.474 0 40 IKAB O=C(C1CCN(C(=O)C23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCCCCC1 104203814 ZONXDOYRNCFWQZ-AEACUUAWSA-N 448.651 5.166 0 40 IKAB CCOC(=O)[C@H](Oc1nc2ccccc2nc1/C=C/c1ccc(OC)cc1)c1ccccc1 108125935 UQURDOWIBQJHNM-DYHBGCKMSA-N 440.499 5.492 0 40 IKAB CCOc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 108247025 SBIRYYRDNULCQU-UHFFFAOYSA-N 425.362 5.734 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)C(C)(C)C[C@]4(C)[C@H]3CC[C@@]21C 118927842 FJMOGZOGGOQQDM-YTWVVCNGSA-N 440.756 8.869 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(I)cc1 223007881 RXUXRWUFJVTUOO-MRXNPFEDSA-N 429.685 5.049 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cc(C)cc(C)c1 224194333 OBGMJCKVNKEEDU-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224238126 SNQKGIJBNRZHQF-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1OC 224576877 CPBRHDMLXMSRNH-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 224777744 XJDVPHKUPAADGC-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224820379 YKTQZORCCOSJEK-MHZLTWQESA-N 442.603 5.011 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C(C)C 224866782 CQIZSFUDQJWYJP-FCHUYYIVSA-N 441.000 5.617 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224942198 CKIDIGZEDOHNFU-QFIPXVFZSA-N 447.044 5.054 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224967998 IYWVAXCWJSNOMC-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1)N1CCCCC1 225522640 QIDHZDBSQUUSAZ-UHFFFAOYSA-N 440.971 5.182 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)cc1 408561354 IGJDUEJJKLXEKA-GYHWCHFESA-N 443.410 6.001 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 408611595 UFPDKCUGJHHGPE-UHFFFAOYSA-N 449.309 5.771 0 40 IKAB CCc1nc(S/C(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)O)n[nH]1 408631906 NDOHNXPSJXQQTF-ODLFYWEKSA-N 438.940 5.241 0 40 IKAB CCc1nnc(S/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)O)o1 408632482 QMLMZEHZUZXNDF-NDENLUEZSA-N 437.496 5.300 0 40 IKAB CCCc1sc(NC(=O)c2cc(OC)c(OC)c(OC)c2)nc1-c1ccc(OC)cc1 408823811 GIMUFWOELVOTFB-UHFFFAOYSA-N 442.537 5.049 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)O1 409002785 ANKINJNPHRITRP-UDWIEESQSA-N 437.854 5.411 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 409110086 QZSXBXRUDZJNPM-UHFFFAOYSA-N 447.962 7.092 0 40 IKAB CCc1sc2nc(SCC(=O)Nc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409136984 VWVOIOPKAPZZNY-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1CCc1ccccc1 409199934 FUHGFGDMKXCDAE-LYBHJNIJSA-N 445.540 5.423 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OC)c2)C1=O 409208243 BIDALUOBBPDFJB-PTNGSMBKSA-N 428.348 5.083 0 40 IKAB CSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409313406 BPBQHDASNFOVSV-RUZDIDTESA-N 448.613 5.478 0 40 IKAB CC(C)(C)OC(=O)N(CC(=O)OCc1ccccc1)C(=O)c1cc(Cl)ccc1Cl 585656411 ZRPVCMVFSGTTLH-UHFFFAOYSA-N 438.307 5.114 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 643589228 RSNOXIYTDSEREX-UHFFFAOYSA-N 433.379 5.953 0 40 IKAB Oc1ccc2ccccc2c1-c1c([C@H](O)c2cccc3ccccc23)ccc2ccccc12 675082932 IGROPODNLOBHGI-WJOKGBTCSA-N 426.515 7.601 0 40 IKAB COc1ccc([C@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 717980 GOEMEMPXHVGXON-XMMPIXPASA-N 427.529 5.323 0 40 IKAB Cc1cc(Br)cc2c(C(=O)Nc3ccc(F)cc3)cc(-c3cccs3)nc12 1098026 YFQUNPRLERPILT-UHFFFAOYSA-N 441.325 6.426 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc2c1 1327302 NEEVMKOENLHHDF-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 1336179 ZOIWGTUWJJLUCH-RUZDIDTESA-N 447.604 5.217 0 40 IKAB Cc1cc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 1371183 DFVIRDHOEPATAG-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1371297 FHVYZURHINRHNS-UHFFFAOYSA-N 443.522 5.827 0 40 IKAB COC(=O)c1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1 1447880 BOVSYYPNOYHWLW-UHFFFAOYSA-N 436.847 5.604 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)nc2c1 1838091 URYLCRGFOLKJFP-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB CC(C)Cc1nc2sc3c(SCc4ccc(Cl)cc4)ncnc3c2c2c1CCC2 2213797 XPVACQXDSTYEOS-UHFFFAOYSA-N 440.037 6.872 0 40 IKAB CSc1nc(SCc2ccc(Br)cc2)c2c3c(sc2n1)CCCC3 2236379 CYTWBKIJMVVXIP-UHFFFAOYSA-N 437.453 6.347 0 40 IKAB Cc1nc2oc3c(NCc4ccc(OC(C)C)cc4)ncnc3c2c2c1COC(C)(C)C2 2241692 TWVPAGBPMHGNRW-UHFFFAOYSA-N 432.524 5.330 0 40 IKAB c1ccc(-c2nc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cs2)cc1 2648665 RODYOXGQKRETNX-UHFFFAOYSA-N 426.566 7.424 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2c1Cc1ccccc1O2 2688359 UGSHVYFJYMHJRX-UHFFFAOYSA-N 439.540 5.879 0 40 IKAB COc1ccc(Oc2nc3ccccc3c3nnc(-c4ccc(Br)cc4)n23)cc1 3063646 MRYWKCYCYGJREE-UHFFFAOYSA-N 447.292 5.508 0 40 IKAB O=C(Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1)c1ccc(Br)cc1 3214200 LRCLZPMAOXJLAL-UHFFFAOYSA-N 442.153 5.014 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)cc1 3243472 WOGKTAFLEOLOOD-AREMUKBSSA-N 441.556 5.322 0 40 IKAB Cc1ccc(-n2c(SCC(=O)NCCC3=CCCCC3)nnc2-c2ccccc2)cc1C 3320412 RYTAGDTZQBNNJQ-UHFFFAOYSA-N 446.620 5.650 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[C@H]1CCCc2ccccc21 3403120 WSMGARBJDKATOT-QHCPKHFHSA-N 440.572 5.220 0 40 IKAB Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)cc2C)c(C)c1 5379885 INKOXCRWHTUTPB-UHFFFAOYSA-N 436.640 7.398 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1cccc2ccccc12 8497886 NEWZKXFPWSBRPF-IOXNAGQWSA-N 435.910 5.587 0 40 IKAB Cc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1C 8788505 ZXNWDTKDXYQRNP-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8828259 YAHVRNFULCABCG-LJQANCHMSA-N 449.476 5.932 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCCCC)cc3)sc2c1 8903166 HEMZDILSGPAJMM-UHFFFAOYSA-N 426.538 5.684 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)Nc3ccc4c(c3)OCO4)c(C)c2c2occ(C(C)(C)C)c12 8991008 XJXJRQHUHWDPNP-UHFFFAOYSA-N 447.487 5.363 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4)cc3O)n[nH]c2C)cc1OC 9130739 VMVYMQCBULQBPI-UHFFFAOYSA-N 434.467 5.493 0 40 IKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1cccs1 9216215 GILFHRNVGRTJFT-UHFFFAOYSA-N 426.291 5.536 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9313602 CDBSTZLXUKKQCY-HSZRJFAPSA-N 444.604 5.785 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1cc(Cl)ccc1Cl 9413856 GLNMCHNRRCJTDH-UHFFFAOYSA-N 443.261 6.383 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1ccccc1 9429274 OFWYJUSUQNSYOC-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 9450927 LKQUJEYSMGDJAM-UWJYYQICSA-N 447.966 5.579 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3cccc(OC)c3)[nH]c2-c2ccccc2)cc1 9512783 LRTJOYDBTYNKSX-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB CCCCN1C(=O)CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@H]1c1ccc(OC)cc1 9515368 SRMPOIUQSVGZFO-PGRDOPGGSA-N 437.565 5.023 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c1)c1cccs1 9712503 CGTNEZPDDQEFRD-IBGZPJMESA-N 447.585 5.978 0 40 IKAB COc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc(Cl)c1OCCC(C)C 10540383 DEKNWINOKGNELT-UHFFFAOYSA-N 441.959 5.828 0 40 IKAB Cc1ccnc(-n2c(SCc3nc(-c4cccs4)oc3C)nc3ccccc3c2=O)c1 11204791 IZKVDLPUMDTSDE-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@H](c2ccccc2Cl)C1 11847442 OFUKKSPZMKXLAN-NRFANRHFSA-N 435.310 6.368 0 40 IKAB CC(=O)N1c2ccccc2C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)c2ccccc21 12379468 AQMRGRNRAXPAPD-UHFFFAOYSA-N 444.361 7.374 0 40 IKAB CN(C(=O)C[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 12408609 TULKOYIVOUPXHN-PZJWPPBQSA-N 434.407 6.126 0 40 IKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccc(Cl)cc3)n2)cc1 12441905 YKYDZYYQKURTQC-UHFFFAOYSA-N 438.940 5.284 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@H](C)Oc3ccccc3)n2)cc1 12442173 CYJHVYWCPDZEMW-KRWDZBQOSA-N 448.548 5.109 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)N1CCN(c2ccc(F)cc2)CC1 12562996 KAAKYCXCLZQRKB-UHFFFAOYSA-N 448.325 5.069 0 40 IKAB O=C(c1ccc(Br)o1)N(CCc1ccccc1)c1nc2ccccc2s1 12800554 ZTVQIQWVGXHYCJ-UHFFFAOYSA-N 427.323 5.541 0 40 IKAB O=C(c1nn2c(C(F)(F)F)c3c(nc2c1Cl)-c1ccccc1CC3)N1CCCCCC1 12844323 VSVIOGHLAZIFTN-UHFFFAOYSA-N 448.876 5.183 0 40 IKAB CCCOc1ccc(/C=C/C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cc1OCC 12927216 ISYWUBUOXCPKKM-WUXMJOGZSA-N 425.456 5.425 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 12984000 VOROQGBVPXFPAG-HSZRJFAPSA-N 429.545 5.749 0 40 IKAB Cc1cc(C2=NN=C(Nc3cccc(C(F)(F)F)c3)SC2)c(C)n1C[C@H]1CCCO1 13062788 XISHOGPEZBGGMX-QGZVFWFLSA-N 436.503 5.222 0 40 IKAB Cc1cc(OCC(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C(C)C)cc1Cl 13098259 YTZMKQPMXNDSJC-VWLOTQADSA-N 445.987 5.825 0 40 IKAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc2c(Cl)cccc12 14291283 SEUWMLVQQFRSTJ-UHFFFAOYSA-N 449.923 5.229 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=CC3=C2[C@@H](c2ccccc2)n2ncnc2N3)cc1 15303481 COOSSAZYXWEGIW-SHQCIBLASA-N 432.527 5.827 0 40 IKAB CC(C)(C)c1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1 15932664 SKDZQGKPLLXMNR-QNGOZBTKSA-N 438.980 6.109 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)CCc2c(C)noc2C)cc1C 16180114 ZUWGCMLLNUXCNN-UHFFFAOYSA-N 442.563 5.352 0 40 IKAB O=C(Nc1nc2cc(Cl)ccc2s1)c1ccc(-c2ccc(Br)cc2)o1 16429537 JJLOJARWZWGFPB-UHFFFAOYSA-N 433.714 6.225 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C 16844929 RRMHKWCJNUTNSZ-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 17095933 GIOSUISNOGUGON-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)COc4ccccc4)c3)nc2c1 17097525 LFWLQKQJTFZCTL-UHFFFAOYSA-N 431.517 5.004 0 40 IKAB COC(=O)c1c(NC(=S)Nc2ccc(Cc3ccncc3)cc2)sc2c1CCCC2 17101602 KDMASIZELZLPHW-UHFFFAOYSA-N 437.590 5.208 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1cccc2nsnc12 19077705 CDDSKEWESDOLKF-UHFFFAOYSA-N 447.520 5.171 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(CC)cc4)cc3n2)cc1 19636713 BDXGIDZTQMXXOU-UHFFFAOYSA-N 442.563 5.651 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20486707 LHEHUDRZJNKBHH-IBGZPJMESA-N 426.409 5.817 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 20494781 JXNXSJYQRIRFSW-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccccc4Br)cc3n2)cc1 20610468 GVMJKDLAPGEYEP-UHFFFAOYSA-N 435.325 5.559 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)CCc2ncc(-c3ccc(CC(C)C)cc3)o2)c1 21897692 LTKJAIZSTLDJGY-SFHVURJKSA-N 436.552 5.367 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCN(C)CC2)c1C 23292198 XZMSLLDZORVNNV-HSZRJFAPSA-N 437.584 5.093 0 40 IKAB COc1ccc(C(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 26843848 IAZXYTQGKKVMHA-UHFFFAOYSA-N 426.321 5.441 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c1 27400685 JWQQSQABFVCYGI-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB COc1ccccc1CNC[C@@H]1C=C(C)[C@H](Cc2nnc(-c3cccnc3)o2)C[C@H]1C(C)C 30882899 FBTLNUZJRAUXNC-HJOGWXRNSA-N 446.595 5.327 0 40 IKAB biogenic,in-vitro O=C1C[C@@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1cccc(Cl)c1 31903691 BWIJTPOWDFCUPC-JRMCHAMMSA-N 427.935 5.924 0 40 IKAB C[C@H](c1nnc(SCCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C 32739566 AWYYOAOLAFTSMJ-OAHLLOKOSA-N 434.968 5.244 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)no1 32754638 BYTDIYDKIMPFCR-UHFFFAOYSA-N 430.533 5.081 0 40 IKAB C/C=C\c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C/C)cc2)cc1 33579212 JRZSSQRNBKDVDD-INWPEIIHSA-N 446.546 8.568 0 40 IKAB Cc1cccc(NC(=O)N2CCC(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)CC2)c1 40146614 CFPSTSCLHIPYQZ-SANMLTNESA-N 441.575 5.339 0 40 IKAB CCc1ccc([C@@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(SC)cc2)cc1 40485719 BVOJNVJVONKHQR-RUZDIDTESA-N 429.585 6.332 0 40 IKAB FC(F)(F)c1cccc(CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 45925273 FGPYNJPXXCIUTE-UHFFFAOYSA-N 435.474 6.861 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCC2)N=C1c1cccs1 46022376 URBPGKOSWUHHHF-UHFFFAOYSA-N 433.986 5.254 0 40 IKAB O=C(N1CCC[C@H]1c1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 57993513 DBGDOGRJRBHYRW-ROUUACIJSA-N 434.590 6.000 0 40 IKAB COc1cccc(Cn2c(SCc3ccc(C)cc3)nc3c(oc4ccccc43)c2=O)c1 67259826 DLMRHZILWYDVAB-UHFFFAOYSA-N 442.540 5.800 0 40 IKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 71851111 YPGJRPXMYQFLDQ-NHCUHLMSSA-N 449.513 5.754 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 72193632 NMGRXYDCLVVDMU-UHFFFAOYSA-N 441.786 6.209 0 40 IKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cccc(Br)c1 72328533 DZUHSWHROVARTB-UHFFFAOYSA-N 446.776 5.745 0 40 IKAB COc1ccc2cc(CN3CCC[C@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 72330564 VNGZSACNXGYWPK-IGKIAQTJSA-N 443.591 5.113 0 40 IKAB COc1ccc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)CCCN(C)c2ccccc2)cc1 72356352 CKIRICCYRPCCPL-XMMPIXPASA-N 432.568 5.056 0 40 IKAB O=C(c1cccc2ncccc12)N1CCC[C@@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374530 MEZJNPZJSRUEKY-XMMPIXPASA-N 448.530 5.096 0 40 IKAB Cc1nc(C(F)(F)F)ccc1C(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 84028749 AMUKWCILNDPTLJ-UHFFFAOYSA-N 425.863 5.424 0 40 IKAB CC(=O)C(Sc1cc(C(C)(C)C)nc2c(-c3ccc(Cl)cc3)c(C)nn12)C(C)=O 101158423 ZZKJGCRZBXCEBG-UHFFFAOYSA-N 429.973 5.294 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 222924937 QWFVBVGKAIDAAO-XMMPIXPASA-N 445.563 5.105 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223436339 PHXDQGVTTVNPTN-RPBOFIJWSA-N 441.556 5.523 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 223557631 PIXQDYMWDKQPJX-OAQYLSRUSA-N 444.641 5.085 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223748559 GLLSYRDQCCGDSN-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223760237 OAEZUMDTPZPBNB-FQEVSTJZSA-N 448.994 5.415 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 223815020 OKNBPAOUSKBYHA-XMMPIXPASA-N 442.575 5.017 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 223978530 SHMZNTSZIVXFOX-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 224107515 JQAXWWJLWLAXLS-UHFFFAOYSA-N 430.331 5.819 0 40 IKAB CN(c1ccc(Cl)c(C(=O)NCCC2CCCCCC2)c1)S(=O)(=O)c1ccccc1 224336916 GORCELUZBPHDMX-UHFFFAOYSA-N 449.016 5.255 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224359535 KKXOKSZMTIAENM-OAHLLOKOSA-N 427.595 5.534 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224855223 PTMUXHOKGHTBQG-RPWUZVMVSA-N 448.592 5.193 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225191477 KHZBNGOVAAUOPX-SANMLTNESA-N 430.592 5.414 0 40 IKAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520325 DAORLQFLBGZIGM-NHCUHLMSSA-N 438.587 5.633 0 40 IKAB Cc1ccc(CN(C(=O)CCCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225533096 LYFJNOYLWQUPOL-LJQANCHMSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 225547714 FWOJZRKCVOWRCR-URXFXBBRSA-N 440.653 5.340 0 40 IKAB COC(=O)CCc1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226342379 LNLKNLLIOBHARX-UHFFFAOYSA-N 436.104 5.580 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245241679 MOXDDWKSQCILQK-DOONRZCYSA-N 430.598 6.237 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 247471920 FTGWMAWRYWOGKN-LNLJWIGCSA-N 430.498 6.514 0 40 IKAB COCc1cccc(C(=O)N2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c1 257329485 XKDWXOOBLKETDZ-JTHBVZDNSA-N 441.955 5.022 0 40 IKAB COc1cc(C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408551062 AOPCJUOFAVNLCR-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB O=C(O)/C(=C/c1cc(Cl)cc(Cl)c1O)Sc1nnc(-c2ccc(Cl)cc2)o1 408634817 VCPROMJLTWVUFS-MLPAPPSSSA-N 443.695 5.620 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4cccc(N)c4)c3)cc2)cc1 408672492 NHEVEZXQTQQYSR-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)cc1C 408674363 ZHWDOMOOHFQZJD-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccc(Cl)cc1 408751130 WWNVDBIEDPIHFT-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)NC1=S 409007797 RQZMXTWVZNNPNQ-SXGWCWSVSA-N 441.767 5.303 0 40 IKAB CCCN1C(=O)S[C@@H](Cc2ccccc2OCc2ccc(Br)cc2)C1=O 409149614 LCLQXQPPTBFDPG-SFHVURJKSA-N 434.355 5.045 0 40 IKAB CCCOc1c(I)cc(CNc2ccccc2Cl)cc1OC 409173918 PHCMYFQVJHZDQT-UHFFFAOYSA-N 431.701 5.354 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccccc1N1C(=O)c2ccccc2C1=O 409182231 JRUKSOPGCWHQGJ-UHFFFAOYSA-N 433.463 5.434 0 40 IKAB CCOc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/SC(=O)N(CCOC)C1=O 409212242 OFLFONCWTYBVDI-WSDLNYQXSA-N 441.593 5.236 0 40 IKAB COc1ccc(-c2nc(O)c3ccccc3n2)cc1OCc1ccc(Cl)cc1Cl 409264473 FXXDIQKYCIOQDD-UHFFFAOYSA-N 427.287 5.897 0 40 IKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccc(F)cc1)CCCCCO2 643583188 WMCCXQFQVBLMJT-UHFFFAOYSA-N 433.523 5.680 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)Nc3ccc(C)nc3)ccc21 1848441831 LZHYGTCDCDHZDU-UHFFFAOYSA-N 436.600 5.170 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 648602 QNIZMDFMOSNDGT-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2cc(C)ccc2C)C(Cl)(Cl)Cl)c1 836723 IPJIOHRDGNBNFO-KRWDZBQOSA-N 444.815 5.025 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 866506 RQFQCESTUKGTTQ-SWLSCSKDSA-N 442.850 5.216 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 995230 QHNMUOPXFAPMEV-UHFFFAOYSA-N 427.323 5.863 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 1103463 QDEVMYGQHGYALP-DEOSSOPVSA-N 430.891 5.338 0 40 IKAB biogenic Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)cc12 1371646 HFYIHTCHFXRUNN-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB Cc1ccc(-c2nnc(CSc3nnc4c5c6c(sc5nc(C)n34)CCCC6)o2)cc1 1372237 YEUOJWJFVFZNSE-UHFFFAOYSA-N 448.577 5.177 0 40 IKAB Cc1ccc(NC(=O)Nc2cccnc2-n2nc(C(F)(F)F)cc2C(F)(F)F)cc1 1390643 FLCDJFFVUVUHKV-UHFFFAOYSA-N 429.324 5.257 0 40 IKAB CCCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 2084440 RNZIIOKVDBVOTH-AWEZNQCLSA-N 435.973 5.643 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(F)cc3Cl)c(C)c2oc1=O 2094688 RVGDBSISYHEQAD-UHFFFAOYSA-N 432.875 5.277 0 40 IKAB biogenic CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 2296775 DGTGWXSSTQSPAY-OAHLLOKOSA-N 444.622 5.203 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(c1nc2ccc(F)cc2s1)C3=O 2334454 SKIBWZHMEHWPJA-NRFANRHFSA-N 442.471 5.600 0 40 IKAB CC(C)Sc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)COC(C)(C)C3 2410584 WWHFTGBWBUWPLJ-UHFFFAOYSA-N 434.627 6.475 0 40 IKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc1 2414492 UMZODFSNKMJDSV-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB CCOC(=O)c1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 3062636 NADJVZMXJDWOFK-UHFFFAOYSA-N 425.421 6.158 0 40 IKAB O=C(Oc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1Cl)c1ccccc1 3184972 RIEGMEDSHCQEPF-UHFFFAOYSA-N 437.904 5.513 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 3231600 SAQITWDENGVYAZ-UHFFFAOYSA-N 444.531 5.051 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3cc4c(C)nn(-c5ccc(F)cc5)c4s3)CC2)c1C 3236027 DUDHOZRDGDRZQV-UHFFFAOYSA-N 448.567 5.114 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)c1 3307230 WNYTZVRORYLTBJ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Oc3ccccc3)c2)nnc1-c1ccccc1F 3477845 VMBQTIFAAYSXJV-UHFFFAOYSA-N 434.496 5.144 0 40 IKAB CCCCC/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/CCCCC)cc2)cc1 4401920 BKCBSSPLHWOFJF-PHEQNACWSA-N 432.608 7.504 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc(Br)cc1 8386764 MNSRIPKTVZLOGG-NRFANRHFSA-N 429.720 6.597 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccc[nH]3)nnc2-c2ccccc2Cl)cc1 8720661 BOIZDAZUVJPFHM-UHFFFAOYSA-N 438.940 5.290 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(C)c3)s2)cc1OCC 8793943 AIYSXGIAIRSMIV-UHFFFAOYSA-N 429.567 5.189 0 40 IKAB CC(=O)N1CCN(c2ccccc2NC(=O)c2sc3cc(Cl)ccc3c2Cl)CC1 8832549 WVDKZQKLNPSULI-UHFFFAOYSA-N 448.375 5.129 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc3ccccc3nc2s1 8873528 KFPAXGJWWVKAEW-UHFFFAOYSA-N 436.993 6.674 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8974681 PBJHZUJBHMNEJD-HSZRJFAPSA-N 442.490 5.370 0 40 IKAB COc1ccc(OC)c(NC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)c1 9347911 AXWJTHKFVKQWSN-UHFFFAOYSA-N 449.503 5.344 0 40 IKAB COc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 9397008 MASKWKLWSWQJQG-JYFHCDHNSA-N 432.951 6.714 0 40 IKAB CC(C)[C@@H]1C[C@@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 9420530 VFJFJHQLZRMSMM-RRPNLBNLSA-N 441.059 5.916 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 9469373 NPGUVVUWSDEHDS-UHFFFAOYSA-N 441.944 5.579 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)cc2C)cc1 9591830 OLMUXNFCUOLKSZ-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1cccc(Cl)c1 9633153 LBSRPVRZFVJLGB-UHFFFAOYSA-N 436.345 5.989 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 9963962 HVRDXEGMCNMDSH-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CC(C)c1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 10096134 DUHKNBVLQLGPGA-UHFFFAOYSA-N 436.349 5.985 0 40 IKAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 12493159 PMPATEGGGQOVEU-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CSCC[C@@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1nc2ccccc2[nH]1 12534954 FSPMPQXAVKJWFE-MRXNPFEDSA-N 428.608 5.281 0 40 IKAB COC(=O)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12555317 ITHKTCSFOLPNQI-UHFFFAOYSA-N 428.538 6.282 0 40 IKAB Cc1cc(NC(=O)[C@@H](SCc2nc(-c3ccccc3Cl)no2)c2ccccc2)no1 12906662 DBKVCMRBAPSLGJ-IBGZPJMESA-N 440.912 5.300 0 40 IKAB COc1cc2cc(C3=NN(C(=O)C(C)C)[C@@H](c4ccccc4)C3)c(Cl)nc2cc1OC 12981288 AHAPMIXXOVRRQF-HXUWFJFHSA-N 437.927 5.239 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1C 13148908 MSPMREPJZRDLKE-UHFFFAOYSA-N 435.307 5.233 0 40 IKAB COc1ccc(Br)cc1CN(C)C(=O)CCCCc1nc2ccccc2s1 14118929 TTWKOFDPWOLZOJ-UHFFFAOYSA-N 447.398 5.439 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(O)c1 14269768 WKFZABVRTPMFSO-WEVVVXLNSA-N 447.343 5.794 0 40 IKAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@@H](C)Cc4cccs4)CC3)noc2n1 19568972 JJALWXKWWGAVJW-LBPRGKRZSA-N 437.487 5.196 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc(OC)ccc3OC)c2)cc1 19691392 LUQRHXMGAXVHKX-DEOSSOPVSA-N 432.520 5.060 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 19908589 ZLAHWROHXQEFNB-LITSAYRRSA-N 430.507 6.106 0 40 IKAB COc1ccc2ccccc2c1[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 20274027 JADNWACXLZFKOL-HHHXNRCGSA-N 431.495 6.168 0 40 IKAB C[C@@H]1CCC[C@@H](NC(=O)c2cccc(-n3c(=S)[nH]c4cc(Cl)ccc4c3=O)c2)[C@@H]1C 20645464 OHPBGKCMMZDNTR-PJIJBLCYSA-N 441.984 5.256 0 40 IKAB CCOc1ccc([C@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc23)cc1OC 25082138 HOJHOLFNNIDMIE-QFIPXVFZSA-N 443.547 5.207 0 40 IKAB Cc1nnc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1C1CCCCC1 26482271 TYASXUDWAHOAIX-CQSZACIVSA-N 429.615 5.013 0 40 IKAB O[C@H](CN1CCCc2ccccc21)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 27694593 PDTQVBZYLJVPQG-JOCHJYFZSA-N 431.967 5.094 0 40 IKAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)/C=C/c1sc2ccccc2c1Cl 31348379 FZSUBXCYAPBKPQ-ZHACJKMWSA-N 434.895 5.333 0 40 IKAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1Cl 33630575 BIHPOSUTIDXPSY-UHFFFAOYSA-N 440.790 5.461 0 40 IKAB Cc1cc([C@@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 40074249 UABATSUXJTVQQW-KZULUSFZSA-N 427.397 5.304 0 40 IKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 44088268 FMVMWEKVICWDRM-UHFFFAOYSA-N 425.298 6.015 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44901673 DOMZQMZJOKYKCK-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 57428563 SRHLOXBIRJFFJW-UHFFFAOYSA-N 449.601 5.128 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1 57986238 NNFBWGQKBLNQNQ-UHFFFAOYSA-N 435.343 5.824 0 40 IKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccccc1Cl 59056599 DAIGHDSGVMNPQV-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1ccccc1-n1nc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)c2ccccc2c1=O 64950219 KGGVWQLVBODFIA-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB CCCCOCCN(C(=O)c1ccn(-c2ccccc2)n1)c1ccccc1Br 72288270 DYYSKKMUIBSIFJ-UHFFFAOYSA-N 442.357 5.098 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccc(F)cc4)cc(C)n3)C2)cc1 72356188 VLIUKKDMVNXLCI-QHCPKHFHSA-N 445.538 5.098 0 40 IKAB COc1ccc(-c2cc(N3CCC(C(=O)Nc4ccccc4C(C)C)CC3)ncn2)cc1 77191875 NZUAHCNMEDJWRS-UHFFFAOYSA-N 430.552 5.131 0 40 IKAB C1CCc2c(sc3nc(C4CC4)nc(N4CCCC[C@H]4c4nnc5n4CCCC5)c23)C1 95393716 PIGKIRVLGDZJPZ-KRWDZBQOSA-N 434.613 5.107 0 40 IKAB CC(C)n1cnc([C@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@H]4C)cc32)n1 96156371 NFTGJEHPZSQUQW-YKSBVNFPSA-N 443.595 5.026 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1 98002327 BZNAZAYHJRKOMS-CIAFOILYSA-N 431.517 5.097 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2c1C 102368124 LQXXNORXZILXHK-PCODUJHASA-N 437.634 6.014 0 40 IKAB O=C(O)c1ccccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 106685253 WLUPVMXEJXDHQB-ODLFYWEKSA-N 439.876 5.535 0 40 IKAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1c(Cl)cccc1Cl 106718097 NHLKVDQAKMIPBX-IUXPMGMMSA-N 432.284 5.336 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 107724933 BZUZYDCRDIMWKT-UHFFFAOYSA-N 431.989 5.246 0 40 IKAB COC(=O)CC[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=C[C@@]21C 118924580 SWHWAFFISKDSIL-SHJQKZDVSA-N 430.629 5.942 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222922185 ZJDDLQDGBOJAFM-QHCPKHFHSA-N 437.967 7.226 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 222997759 JPXNXAMXUJVBQX-LJQANCHMSA-N 447.044 5.215 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 223095058 YPNOYWNROIWGCV-JOCHJYFZSA-N 440.653 5.179 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395067 PLDRMFGGQIXAJB-RPWUZVMVSA-N 428.536 5.184 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223480140 NGGQPKDTQTUVJU-AREMUKBSSA-N 436.571 5.702 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223606974 FXOQXAQWNDNAGN-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223819396 YCUACOKPSVAPTO-IBGZPJMESA-N 426.988 5.057 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223872278 SBALEFZNZKORSW-GOTSBHOMSA-N 431.492 5.363 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223980319 OFZWZIORPZPMOA-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 223995240 JFLJSAGJXXXHAO-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 224330715 MVBJJFJKIUIRJM-RPBOFIJWSA-N 439.588 5.315 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)SCc2ccccc2)cc1 224537085 SOQICVFSBQMVEF-GOSISDBHSA-N 440.590 5.056 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3c(F)cccc3Cl)s2)c(Cl)c1 225006874 YIUSYVMBPQBBCD-UHFFFAOYSA-N 428.341 5.837 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)ccc1Cl 225025038 GKUDWKGVLMIMSM-PKTZIBPZSA-N 437.012 5.749 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 225512312 GHXBUPKSEYCGSQ-RUZDIDTESA-N 443.616 5.697 0 40 IKAB Cc1cccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)c1 225541388 CVNWYJRGWFXZJS-UHFFFAOYSA-N 427.588 7.031 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1)c1ccccc1 225614982 FTKQKIJBFMYJJP-MRXNPFEDSA-N 437.337 5.121 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cc(C(C)C)c(OC)cc2C)cc1 225668549 PRHXCPYSNXWZGT-UHFFFAOYSA-N 439.939 6.834 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)O)o2)cc1 226356649 FHULGWPXAMKDEP-UHFFFAOYSA-N 442.309 5.957 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609320 NPYXBHZQVNRAOF-PPUYEYNDSA-N 430.717 7.405 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 257340570 ZGSNDKLNLIDRLV-QGZVFWFLSA-N 449.595 5.660 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N1c1ccc(Cl)cc1 408555757 IGKVOXAACWRLBC-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1Cl 408697422 HHIDYSSHQLIUMH-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB O=C1S/C(=C\c2ccc(N3CCCCC3)o2)C(=O)N1Cc1ccc(Br)cc1 408865182 BOHSOHQZXFEKEF-ATVHPVEESA-N 447.354 5.269 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 409109420 DOGGFRBYZPWNIO-UHFFFAOYSA-N 436.577 5.030 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1 409113532 BPRQKTPUONTPJK-UHFFFAOYSA-N 440.381 6.574 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@@H](C)CC 409345605 JTGJPIHNXNSLBN-GQFJFNLSSA-N 431.941 6.157 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 409381852 OHODUEJJWPMARF-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CC(C)(C)[C@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 585152279 JNYPASGVNHFUAQ-GOSISDBHSA-N 434.323 5.326 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccc(C(C)C)cc2)CC1 585166180 LYZTZBHCZOFMGD-UHFFFAOYSA-N 441.619 5.443 0 40 IKAB CCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1 670417819 LARFUTXWNLKZBM-UHFFFAOYSA-N 428.359 7.771 0 40 IKAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 680217536 PXNFGQCDVMZQGU-JWQCQUIFSA-N 439.519 5.039 0 40 IKAB C[C@H](C(=O)N1C(=O)OC[C@@H]1c1ccccc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 1772715023 RIOFDRQIIZOAOT-PLGVSFSBSA-N 446.522 6.004 0 40 IKAB CSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1)N(C(C)=O)c1ccc(Cl)cc1-2 684884 XWUGSNRVVFKXKK-SFHVURJKSA-N 433.320 5.011 0 40 IKAB Cc1ccc(NCc2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl 917285 GOXMJNGIOFCNOQ-INIZCTEOSA-N 444.004 5.125 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)c(C)c1 1261886 MWUZQUNUXDHCAL-UHFFFAOYSA-N 449.967 5.126 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2c(C)noc2C)c2ccccc2)cc1 1353820 JECXFVCDRVYTAE-VWLOTQADSA-N 445.563 5.437 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)Nc3ccc4c(c3)c3ccccc3n4CC)ccc21 1579278 JZASPZVKLYNQNL-UHFFFAOYSA-N 446.554 7.586 0 40 IKAB CCOC(=O)c1c(CSc2ccccc2)n(-c2ccccc2)c2ccc(OC(C)=O)cc12 2202638 AKWCLNKZKSGCAV-UHFFFAOYSA-N 445.540 6.025 0 40 IKAB Cc1c(OCC(=O)c2ccc(-c3ccccc3)cc2)ccc2c3c(c(=O)oc12)CCCCC3 2396896 KAHBOSKMAQYMPW-UHFFFAOYSA-N 438.523 6.299 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 2617117 ZIMBMXNAOZHFMO-IBGZPJMESA-N 429.516 5.535 0 40 IKAB COc1ccc2oc(C(=O)OCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(C)c2c1 2627497 LXWVVRRRZAJGRW-UHFFFAOYSA-N 441.789 5.218 0 40 IKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCCC4=CCCCC4)ncnc32)c1 2715123 NDIULLOHOQAYQQ-UHFFFAOYSA-N 428.967 7.043 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 2741434 ZVACHOGGXGSWIK-OIQJVACTSA-N 446.012 6.381 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3CCCO3)c3cc(Br)ccc3n2)cc1 2770051 GYQKMXIXNNUOHB-OYHNWAKOSA-N 439.353 5.270 0 40 IKAB COc1ccc(/C=C2\N=C(S)N(C3CC3)C2=O)cc1COc1cc(C)c(Cl)c(C)c1 2791732 JMUJWRCOTXWBDS-ODLFYWEKSA-N 442.968 5.176 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(=O)c2ccc(Br)cc2)cc1 3016980 MMQCSHHCMPKGCR-XSFVSMFZSA-N 448.272 5.013 0 40 IKAB CCCc1sc(N(C(=O)c2ccc(C)cc2)c2ccc(OC)cc2)nc1-c1ccccc1 3176983 RPWUDELDILAIIN-UHFFFAOYSA-N 442.584 7.058 0 40 IKAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1oc2ccccc2c1CSCc1ccccc1 3314330 NQXIGIASTIYYMX-UHFFFAOYSA-N 444.596 7.691 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)Nc1ccc(Cl)c(Cl)c1 3427840 JNXPBIIOJNHLAN-INIZCTEOSA-N 444.156 5.149 0 40 IKAB CCc1ccc(NC2=C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 3670065 XVYDULKZBDZJAA-NDEPHWFRSA-N 438.615 7.193 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 4073918 BZNIIOGSANMIET-XOZCFOERSA-N 442.728 7.238 0 40 IKAB biogenic CCC(C)(C)c1ccc(OCCCc2nc(-c3ccc(C)cc3)no2)c(C(C)(C)CC)c1 4685118 KZUHGMAAUJQIAM-UHFFFAOYSA-N 434.624 7.432 0 40 IKAB Fc1ccc(Cn2c(SCc3ccc(Br)cc3)nc3ccccc32)cc1 8442350 CFYALZSLNKQDHX-UHFFFAOYSA-N 427.342 6.279 0 40 IKAB Cc1sc2c(c1C)c(=O)n(CCc1ccccc1)c(=O)n2Cc1ccc(C(C)(C)C)cc1 8593160 YEWDTQDLAXBGNH-UHFFFAOYSA-N 446.616 5.430 0 40 IKAB CCc1ccccc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O 8608365 UDHRTIHWXBXUPA-UHFFFAOYSA-N 426.925 5.238 0 40 IKAB aggregator Cc1oc2cc3oc(=O)c(CC(=O)NCc4cccnc4)c(C)c3cc2c1-c1ccccc1 8791365 SFMHDAIIDURTMN-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic CCOc1ccccc1/C=C/c1nc2c(Oc3ccccc3)cccc2c2c1CCS2 8855475 DRKDWMZVXWREGJ-FOCLMDBBSA-N 425.553 7.244 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)s1 8919003 FNUAESFQPZXTQF-VWLOTQADSA-N 447.943 5.562 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)nc2c1 9064980 VUQPMGDZKYRHBE-INIZCTEOSA-N 443.572 6.444 0 40 IKAB CCc1cc([C@H](c2cccc(OC)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 9254032 JNSFDOUEQSRXMR-DEOSSOPVSA-N 434.605 6.147 0 40 IKAB CCn1c(SCc2ccccc2Cl)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 9306131 OORXVTSEGYSPBH-LJQANCHMSA-N 428.989 5.371 0 40 IKAB Cc1cccc(-n2c(/C=C/c3ccc(O)cc3)nc3ccc(Br)cc3c2=O)c1 9456508 LQGLQNKZJMEFTH-KPKJPENVSA-N 433.305 5.333 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2)cc1 9499382 OUEJMPYCMFCUKQ-UHFFFAOYSA-N 436.507 5.824 0 40 IKAB COc1cccc(-c2nc(SCC(=O)Nc3ccc(F)cc3)c(-c3ccccc3)[nH]2)c1 9512840 HAWNNDTWOJHOSM-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 9592286 YCLAQBJNUBDZNP-HXUWFJFHSA-N 434.492 5.318 0 40 IKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 9625353 GNYKYMULFWZFQU-UHFFFAOYSA-N 435.336 5.584 0 40 IKAB O=C(c1ccccc1)c1ccc(OCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 9669691 GDLVVNKURMAOJZ-JOCHJYFZSA-N 442.540 5.270 0 40 IKAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1 9959652 YGSNUFZSWYXPSA-UHFFFAOYSA-N 426.541 5.286 0 40 IKAB O=S(=O)(Cc1cccc(Cl)c1)Nc1ccccc1SCc1ccc(Cl)cc1 10112687 ODZPISOBQIEWLB-UHFFFAOYSA-N 438.401 6.228 0 40 IKAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc(OCc2cscn2)cc1 10322246 KWULYJQUHZVSAL-UHFFFAOYSA-N 426.501 5.289 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)CCn3c(-c4cccc(C)c4)n[nH]c3=S)cc2)c1 10832550 KTXUIJDLKDYUTK-UHFFFAOYSA-N 444.560 6.046 0 40 IKAB O=C(O)c1cc(-c2ccc3noc(-c4ccccc4)c3c2)nc2ccc(Br)cc12 12292808 QAMAFIJXSBAFDL-UHFFFAOYSA-N 445.272 6.171 0 40 IKAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2ccccc2Cl)n(C(C)C)c1C 12407569 QLPXEAJVKOHVLT-UHFFFAOYSA-N 448.947 5.563 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12485583 SHQJWVLXUSLWED-UHFFFAOYSA-N 440.591 5.883 0 40 IKAB COc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)cc1 12634831 CQVBKWSQOMDHSP-UHFFFAOYSA-N 436.968 5.347 0 40 IKAB Cc1ccc(-n2c(SCc3coc(-c4ccc(F)cc4)n3)nnc2-c2ccncc2)cc1 12825575 MUJSIRWGLPAHNB-UHFFFAOYSA-N 443.507 5.724 0 40 IKAB CN(Cc1ccc(Cl)cc1)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 13070713 RCUMVGVMTIVTRY-UHFFFAOYSA-N 430.360 5.590 0 40 IKAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(SC)cc2)cc(Cl)c1OCC(C)C 13071852 HBIHOZMHJDBLNK-DHZHZOJOSA-N 434.001 5.777 0 40 IKAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 13116965 RETDXMIIAJPRKN-HNNXBMFYSA-N 433.537 5.116 0 40 IKAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 13128321 AXHLOCDXPGFJLA-UHFFFAOYSA-N 447.029 5.526 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 14272077 FRJZZYBIENCVNG-MDWZMJQESA-N 448.320 5.653 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 16752420 HSIFIIHOQKDRPI-VWLOTQADSA-N 437.539 5.878 0 40 IKAB CC(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16768356 ZBEDSQKWIFZLLE-UHFFFAOYSA-N 435.369 6.308 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 17097663 LCNLWYYJHGQGFZ-UHFFFAOYSA-N 431.586 5.961 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 17098356 PNTMTNOXEINTMW-HDDXYUSQSA-N 433.379 6.292 0 40 IKAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19463351 FSDMSBUNAOBSQO-DVOMOZLQSA-N 434.487 5.186 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2ccc(COC)cc2)n1 19525578 ABSALJKUEHOPCW-QFIPXVFZSA-N 448.567 5.215 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 20145471 CLZGUXTVAZPNTF-SOFGYWHQSA-N 446.286 5.921 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20797439 XZGKXMRTSYUXER-JOCHJYFZSA-N 449.341 6.271 0 40 IKAB Cc1c(C(=O)Nc2ccc(Br)cc2F)cnn1-c1cccc(C(F)(F)F)c1 24753632 IVSKWDDKMOQMSN-UHFFFAOYSA-N 442.210 5.353 0 40 IKAB COc1ccccc1-c1csc(NC(=O)c2cc3cc(Br)ccc3o2)n1 28250451 UWJGTDHWSTUMFY-UHFFFAOYSA-N 429.295 5.580 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 32675356 ITAUVHRNEHROPH-SUYAPPDUSA-N 429.470 5.797 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)c1 33068087 KJGZHQGUMCLBAQ-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)cc1 33619263 KDPFVEJPGKZNJT-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 33858225 SYGRXGBQXBHCCN-VCRXTVNUSA-N 431.941 5.762 0 40 IKAB Clc1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 34888347 WUFACZTZZZVLDI-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(/C=C/c1c(Cl)nc2sccn12)OCc1csc(-c2ccccc2Cl)n1 39608547 LXGRVIPSOPRFQO-AATRIKPKSA-N 436.345 5.583 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 49006035 RQRXCRJNFSSUBC-UHFFFAOYSA-N 432.524 5.156 0 40 IKAB COc1cc2ccccc2cc1-c1nc2c(Br)c(N)c(Br)cc2o1 57326829 CCNDVQUYLBXFMU-UHFFFAOYSA-N 448.114 5.764 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(=O)OC)cc2)cc1 59498070 UPIDWBHNMKFSLK-RUZDIDTESA-N 444.531 5.813 0 40 IKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccccc4F)s3)oc12 67339479 KFJQUACNKQRBJG-VOTSOKGWSA-N 442.899 5.933 0 40 IKAB CCc1cc2c(N3CCC4(CC3)C[C@H]4c3nnc(-c4cccc(F)c4)o3)ncnc2s1 71890506 CDSMQEFJBQYZSL-SFHVURJKSA-N 435.528 5.217 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 72391340 GWPUSDSGGLNEKR-HXUWFJFHSA-N 440.526 5.196 0 40 IKAB COc1cc(-c2nc(CSc3nnc(-c4ccc(C)cc4C)o3)cs2)ccc1O 78995328 JSPDQCIYDWATGS-UHFFFAOYSA-N 425.535 5.483 0 40 IKAB CN(C)c1ccc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)c(C(F)(F)F)c1 83854236 PAJLFJRGJYVRNH-UHFFFAOYSA-N 425.410 5.832 0 40 IKAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccccc1F 85412300 QQDWTAXNHYFUJY-OAQYLSRUSA-N 441.528 5.370 0 40 IKAB O=C(NCc1ccc(F)cc1F)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038062 STIANJHUQJSIOT-UHFFFAOYSA-N 428.442 5.000 0 40 IKAB O=C(CSc1nncs1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 96504266 XQOCFGSSNLCUED-XAXZLRJXSA-N 446.601 5.453 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 100429572 QPJOZWQOFMZQPP-CLYVBNDRSA-N 442.515 6.248 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3cccs3)CC2)on1 100743722 HQUFOUHXOLIBER-ZYSHUDEJSA-N 438.597 5.079 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)NCCC5=CCCCC5)(C4)C2)C3)cc1 102317036 CEJBFBUOGDCULN-CLOGCQCWSA-N 435.608 5.383 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(OC(F)F)c(Cl)c1 103007688 REJOUOSWWVEECO-TYGXQLQZSA-N 448.735 6.004 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915130 OSYGNEOCCSKLON-AUBLJOOZSA-N 438.652 6.325 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OCC 215106571 LGMWYJFPVUPGEP-VXLYETTFSA-N 435.904 5.513 0 40 IKAB C[Si](C)(C)c1c(C(F)(F)F)nc2c([Si](C)(C)C)c(F)ccc2c1Br 219792965 JPNZFGOGQWDKEV-UHFFFAOYSA-N 438.411 5.246 0 40 IKAB CC(C)c1ccccc1NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222381806 HXUSCZXRHJOFKV-UHFFFAOYSA-N 443.396 5.302 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 223095247 YKXOWCGZBHWRLD-IBGZPJMESA-N 447.044 5.215 0 40 IKAB Cc1ccc(CNC(=O)[C@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 223201984 ISGUVCZMIXUIKJ-SANMLTNESA-N 446.566 5.046 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 223693180 FCXULPSXTZKLAW-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223828455 SAKACRPOZMEHOV-INIZCTEOSA-N 433.379 5.012 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3Br)ccc2OC)cc1 224264930 QXOZGSUGSJHMFD-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224374867 LSFNLEUDUDMKNO-CLJLJLNGSA-N 438.600 6.173 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 224393505 FVHFPSBVIBKTJF-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224407322 YFUNIVDUHADXHH-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224408546 XXIDQGGIVOFPPH-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224865698 NGDQMKWNSCEEKW-FCHUYYIVSA-N 438.984 5.534 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224913300 FNBHFHLZLYPWRU-UHFFFAOYSA-N 426.516 6.612 0 40 IKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 224966516 CMQZZRNHKXLKDW-HNNXBMFYSA-N 437.326 6.806 0 40 IKAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225033112 AGNSAZDGUNEQOU-XZOQPEGZSA-N 447.560 5.043 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225557217 CLVMUPOEHAGMPM-GCJKJVERSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225644207 OZNMMPHZLVNLCT-GCJKJVERSA-N 430.589 5.030 0 40 IKAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(-c4ccccc4)o3)n2)C1 225919819 LQTOKPYGOOWZTB-HNNXBMFYSA-N 441.988 5.113 0 40 IKAB COc1ccc(CCn2c(C)c3c(C)nn4cc(-c5ccco5)cc4c3c2C)cc1OC 252492138 MDXASKIFFDIFOG-UHFFFAOYSA-N 429.520 5.734 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(Cl)cc1 408561794 LJXOKCHRLBNKMI-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(Br)c2)o1)Sc1nc2ccccc2o1 408635213 YFVZALQQKCFAIE-WQRHYEAKSA-N 442.290 6.068 0 40 IKAB O=C(Nc1ccc(Br)cc1Br)c1cc2cc(Cl)ccc2o1 408706963 FXFSKKKHNXNKBC-UHFFFAOYSA-N 429.495 5.864 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2cccc3ccccc23)cc1 408724157 GPVPQXJSFKTDKU-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1OC 408813785 OVRYUPCMNBFZND-IFFKVGTPSA-N 437.585 5.758 0 40 IKAB Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)c(Cl)c1 408827106 CJGAFBUUFHABBV-UHFFFAOYSA-N 442.165 6.440 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 409011323 HCWUQHRSAGGHTD-ZDLGFXPLSA-N 431.250 5.485 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)S(C)(=O)=O)cc1 409026128 HACJLIKNJJGHSZ-UHFFFAOYSA-N 444.556 5.367 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 409074146 YEKDSHBOQVCTEC-LFVJCYFKSA-N 445.946 6.561 0 40 IKAB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1CCc1ccccc1 409209207 HRLPCRXIFIVWCN-LYBHJNIJSA-N 445.540 5.423 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@](O)(C(F)(F)F)[C@H]2C1 409342366 BQABZZAENBIRHY-QEEYODRMSA-N 430.898 5.564 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409358329 DUUCKMSCAYIGQV-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(-n3ccnn3)c2)c1 566997899 JBGMCAUUKLTEQW-LOSJGSFVSA-N 439.519 5.039 0 40 IKAB CCOc1ccc(CN2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO 585176616 VFIQRKOKWCNGDI-QHCPKHFHSA-N 434.555 5.082 0 40 IKAB CN1CCCCN(C(=O)c2ccccc2Cl)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562343 PWQSRKQIVUFGQI-GGAORHGYSA-N 440.971 5.038 0 40 IKAB CC(C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2)(c1ccccc1)c1ccccc1 1615525530 IZLRTFFDCDRJIB-AREMUKBSSA-N 441.571 5.222 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4ccc(Cl)cc4)c3n2)cc1 649059 KLLRDOMLAKUAOZ-UHFFFAOYSA-N 440.881 5.268 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4Br)c(N)c3cc2C1 661730 TWSMYWXALBZPGU-GFCCVEGCSA-N 444.398 5.717 0 40 IKAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1C 1057905 PXVVFJKQJLSRKM-DEOSSOPVSA-N 427.504 5.123 0 40 IKAB biogenic CCc1ccccc1NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@@H]1CCCO1 1224976 KBRBFFUJZKVLBF-QFIPXVFZSA-N 449.620 5.085 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)cc1 1371324 LXJJAWCYSUZDKV-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 1794294 GMPQGPNWCYTPPI-HKBQPEDESA-N 431.579 7.489 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc2c(Br)cccc12 2081686 FMOMVWKNXYHHKJ-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CC[C@@H](C)C2 2085959 YIRJCPFRSLQWJM-OAHLLOKOSA-N 447.556 5.926 0 40 IKAB COc1ccc(-n2cnc3cc(Nc4nnc(-c5ccccc5)c5ccccc45)ccc32)cc1 2290310 RDZDGDIBUAUEHJ-UHFFFAOYSA-N 443.510 6.388 0 40 IKAB O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2305482 TVPBGVRLADZYID-GDBMZVCRSA-N 440.878 5.188 0 40 IKAB COc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2317924 DYHZXUDMNGFYQD-UHFFFAOYSA-N 431.293 5.407 0 40 IKAB Cc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1C 2360014 ZBTHDMJTGLQZCN-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB CSc1nc(SCCO)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 2433906 OJAHMPGLPXJXKG-UHFFFAOYSA-N 435.640 5.021 0 40 IKAB O=c1oc2c(Br)cc(Br)cc2cc1-c1nc2ccccc2s1 2959992 UUWYRKNXQYRCFD-UHFFFAOYSA-N 437.112 5.595 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(OC(F)F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 3283185 VEWRKHRFVPQJNO-FPYGCLRLSA-N 449.759 5.155 0 40 IKAB COc1ccc(CCC(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1OC 3287817 VQLIAWUVGKLLKI-UHFFFAOYSA-N 434.517 5.677 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(SC(F)F)cc2)s1 3316291 CVBKYAYXXFVYKA-UHFFFAOYSA-N 438.550 5.636 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)CSC(c2ccccc2)c2ccccc2)c1 3340531 HRRQXGKNTFMPRK-UHFFFAOYSA-N 439.580 7.249 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 3348904 BWEJXHTYTJOPNA-INIZCTEOSA-N 434.492 5.149 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)c1 3448891 KJDGJTQKPZTHDY-UHFFFAOYSA-N 447.560 5.792 0 40 IKAB COc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(Cl)cc3)n2)cc1 3765704 CSLQSUDURSUMHZ-UHFFFAOYSA-N 435.858 6.344 0 40 IKAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc(-c2ccccc2)cc1 8439624 UEEIHBGEXOLJFE-UHFFFAOYSA-N 431.542 5.531 0 40 IKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)cc1 8830928 DGJCTAMMCCIBMZ-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)CCCC2 8898822 HFWBCQIBILAADQ-AWEZNQCLSA-N 427.957 5.238 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4)ccc3o2)cc1OC 8903958 GWFWEFMOLUQGSZ-UHFFFAOYSA-N 438.867 5.183 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 8926053 XKRAANNKPJEXFV-RXFWQSSRSA-N 442.559 5.865 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)cs2)cc1 8966358 PSECNHPSVNYFGM-AWEZNQCLSA-N 427.526 6.073 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c12 9068259 RMFGPHBUBGSFSQ-ZZIIXHQDSA-N 429.585 7.378 0 40 IKAB biogenic COc1cccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c1 9116618 SDIYLZWGPUJDJM-UHFFFAOYSA-N 448.573 5.315 0 40 IKAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 9222430 HNEHOJMJRVNHPE-NSHDSACASA-N 428.863 5.215 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9288233 TUHCLXGIDDEWGP-AREMUKBSSA-N 436.559 6.396 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccc3c(c2)OCO3)cc1 9414320 FCBOHNTYINXHAG-LCYFTJDESA-N 440.455 5.374 0 40 IKAB CCOc1ccc(C(=O)Oc2cc(-c3ccc(OCC)cc3)c3oc(=O)sc3c2)cc1 9430723 GFIHRKBBDQEDIJ-UHFFFAOYSA-N 436.485 5.538 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1cccc(C)c1C 9711812 UIUAJMGSUSOXCQ-UHFFFAOYSA-N 439.610 5.541 0 40 IKAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccccc1Br 9713862 BJNXHWMIXVBEJF-UHFFFAOYSA-N 436.762 5.015 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1Cl 10371220 BKFUFSKKQYIDLJ-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCCC2)cc1 11916626 PZRZICGHCBXCAB-HSZRJFAPSA-N 445.003 5.078 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)ccc1OC 12414876 WAAGQBJBCMHNAI-UHFFFAOYSA-N 445.562 5.018 0 40 IKAB Cc1cc(NC(=O)c2cc3ccccc3o2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 12441850 QMJZDGPQUNRUFL-UHFFFAOYSA-N 434.908 5.956 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1Cl 13367092 IPHMYPCIYLNJQK-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 13425375 NYVRXFPSGIVMMH-IBGZPJMESA-N 440.572 5.942 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 13498374 QKGGPCCNRGUZCF-DEOSSOPVSA-N 436.552 5.263 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(C)c(C)c4)cc23)cc1 13564705 MOVIYJFQVKADPE-UHFFFAOYSA-N 434.543 5.918 0 40 IKAB Cc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960758 XZOPSAQOCNEGSA-UHFFFAOYSA-N 435.398 8.055 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c(C)c1 14038491 ZNRSWVRCVADVJK-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1ccc(-n2ncc3c(=O)nc(SCc4ncc(-c5ccc(Cl)cc5)o4)[nH]c32)cc1 14198715 KUXXNYCCDCWOMQ-UHFFFAOYSA-N 449.923 5.018 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)cc1Cl 14272619 FOSQJFBCXBEYIE-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cccc(Cl)c2Cl)N1c1cccc(C(F)(F)F)c1 15303920 WUQZEWTUYPDDIM-LJQANCHMSA-N 437.248 6.783 0 40 IKAB O=C(/C=C/c1ccc2c(c1)OCO2)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 16035714 PPJZVUPOFNTYPO-HEAKDJBOSA-N 425.440 5.077 0 40 IKAB O=C(Nc1cccc(Cl)c1)OCC[C@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 16398961 PUKOGOWPWDAUQN-LJQANCHMSA-N 436.339 6.019 0 40 IKAB Clc1ccccc1COc1ccc2ccccc2c1CNCc1ccc2c(c1)OCO2 16525989 DAMFWDJPOJCRKN-UHFFFAOYSA-N 431.919 6.091 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 16789468 JBAJGFPCNCSQNU-SFHVURJKSA-N 443.576 5.574 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 17096590 XUXQKFDVEMTRQT-INIZCTEOSA-N 429.545 6.135 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 17097345 OBMNZONSOCVGRO-UHFFFAOYSA-N 431.250 6.202 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3O)nc2c1 17097558 SFAGWHDORXMXLH-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)c1 17097661 PESKHMKDVCENPH-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB COC(=O)c1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccccc2)cc1 18010876 WBCKMGKHHGQGCM-UHFFFAOYSA-N 440.528 5.495 0 40 IKAB aggregator COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 19633208 WTOMVJDJAPGRMF-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccccc1-c1nc2ccccc2s1 19637777 JFVASLLGWCEVJA-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1ccccc1 19817287 GUWRHWCBWBUOOR-OAHLLOKOSA-N 437.421 6.140 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc(C(=O)O)c1O 20151120 FHCOECNBOKABTA-HWKANZROSA-N 432.259 5.618 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411040 JQHRUVCEWVQNAJ-UHFFFAOYSA-N 443.937 5.526 0 40 IKAB C[C@H](CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 22580833 TZTINWHNVDZMRN-IUNZSJPTSA-N 434.627 6.522 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 24766686 NEOPBKWZQFRLMS-UHFFFAOYSA-N 428.517 6.015 0 40 IKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC 27563415 NJWKCJRGYUJKBW-FYWRMAATSA-N 443.613 6.205 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccc(C)cc1 30753076 KMXWLGVXLBKFPE-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C/c2ccccc2)=NC=C1c1ccccc1 31740087 WNVFKEPKFBWOQI-UNMXYYQHSA-N 437.586 8.453 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115236 UHZVMJAKLYBQHN-FPYGCLRLSA-N 445.252 6.732 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116664 GPIKLPUULQTZAH-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)S1 35042871 HYELTKQPBGQLRP-ODLFYWEKSA-N 438.892 5.689 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 35047400 IFWQEPZBUQMECD-QRFRQXIXSA-N 435.326 5.154 0 40 IKAB Cc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 35684951 UXYIDMPRWSSANC-KRWDZBQOSA-N 428.414 5.357 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 38851790 YXCFBYGOCVXRJQ-UHFFFAOYSA-N 434.392 5.210 0 40 IKAB CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 39427738 FYWVDSRKUZVQAT-QHCPKHFHSA-N 431.540 5.165 0 40 IKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C 44856368 HFFPZBZKLBLUQN-SFHVURJKSA-N 429.402 5.155 0 40 IKAB COc1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(OC)cc1Cl 57314017 VUFBFCSWYIXODA-PKNBQFBNSA-N 442.924 5.144 0 40 IKAB CCCC(=O)Nc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1C 58407803 RFUPUUXKYNXKHS-UHFFFAOYSA-N 434.515 5.190 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccc(F)cc1 59186096 FQLHIZFTSKUYJQ-GRSHGNNSSA-N 443.396 5.925 0 40 IKAB Cc1ccccc1CSc1nnc(-c2sc3ncccc3c2N)n1Cc1ccco1 64370109 QQDFZBGNUZQEAO-UHFFFAOYSA-N 433.562 5.379 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 67245214 QIMILMRWQFSQHI-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB Cc1ccccc1-c1noc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2)n1 69607295 MSHIHVWBGZPKCC-UHFFFAOYSA-N 440.528 5.096 0 40 IKAB CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@@H]3CCCC[C@H]3C)ccc21 72290494 CJPBPRIWHWWCBE-FQRUVTKNSA-N 445.607 5.421 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 72333406 ROULNNMYOLVVNK-UHFFFAOYSA-N 444.560 5.074 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 72356183 MOHUAGTUJBVRAU-RUZDIDTESA-N 441.575 5.267 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c2c1C 102368127 LQXXNORXZILXHK-QSOKESPWSA-N 437.634 6.014 0 40 IKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1OC 102728021 CKOWHYRAUUEWKP-HJPURHCSSA-N 432.476 5.314 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccccc4)C3=C(O)C2)cc1 104161927 OZGPFWHAIRPXKW-PIKZIKFNSA-N 438.527 6.265 0 40 IKAB Clc1ccc(OCc2ccccc2Cl)c(CNc2ccc(Cl)c(Cl)c2)c1 107039102 AOORTXORQWYDGY-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1Oc1ccccc1 218944030 SAIFWINPPPIWBP-UHFFFAOYSA-N 432.701 5.912 0 40 IKAB CC[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(OC)c1 219847342 CCPZIWYVRRSXHP-JOCHJYFZSA-N 439.939 5.817 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1cccc2ccccc12 222726585 JXGFXYUYOKQTOY-MRXNPFEDSA-N 443.374 5.243 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222911548 QLEPOUJFUVZXFC-LEWJYISDSA-N 445.419 5.808 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 223438331 GNBDADYLBSZROC-QHCPKHFHSA-N 442.575 5.050 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223748224 HYFGXYFZUDFOLZ-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224083969 MWDRTFCMIPKXIW-LJQANCHMSA-N 434.555 5.244 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)c1 224247477 WSTUOCQLXXCKMU-ZEQRLZLVSA-N 445.975 6.481 0 40 IKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COCc1ccccc1 224357588 PUNNULOMURWHEK-UHFFFAOYSA-N 437.539 5.931 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224453917 JUCHLVVCYGVGSK-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(C)c(C)c1 224622856 XSEMGVUOTOCGGG-UHFFFAOYSA-N 439.939 6.195 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccc(CC)cc2)S(C)(=O)=O)cc1 224748738 PXDWRDQOAXRHJG-OAQYLSRUSA-N 444.641 5.161 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225615360 UYFPFOCGIVIFNY-GCJKJVERSA-N 447.044 5.295 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225636622 SUNZWMXKUGAPDE-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 225668776 OWQHHEIRQBTDMK-IEBRLRAKSA-N 430.633 5.357 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 257308300 TWFVNSKPCSNUKJ-SFHVURJKSA-N 436.581 5.235 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 260781623 UCMDXYYSHYYMSJ-OREJSRFESA-N 444.387 6.628 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 408558807 VYDPHWSWAINYTI-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c1 408617996 INJRDVNPQYWOGA-UHFFFAOYSA-N 428.598 5.255 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1cccc(Cl)c1Cl 408644560 GUXQGZGBNYPQNP-SECBINFHSA-N 437.106 5.249 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408683341 MQPUAWNQMYUNRD-ZBFHGGJFSA-N 429.303 5.091 0 40 IKAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Br)cc2)c1 408692975 ZWOXIFRGUGMAOO-UHFFFAOYSA-N 439.357 5.068 0 40 IKAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408805553 GPEJQIJMGMNRFS-ZIRSXLEASA-N 442.004 6.403 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc(Br)c1OC 408989037 JLKCPHVCBFTMKZ-UHFFFAOYSA-N 435.343 5.113 0 40 IKAB CCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(Br)cc3)no2)cc1Cl 575608779 YXQLXGQRGSRFAA-UHFFFAOYSA-N 445.704 5.608 0 40 IKAB O=C(c1cc2ccccc2cc1O)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100290 JRYBAIHCWKNXPX-MHZLTWQESA-N 432.539 5.345 0 40 IKAB C[N+]1=C(/C=C/C=C2C=C(c3cccs3)OC(c3cccs3)=C2)C(C)(C)c2ccccc21 685944465 OVTGZSPRDQIFGN-MKMNVTDBSA-N 442.629 7.411 0 40 IKAB O=C(c1ccc(COc2ccc(Cl)cc2Cl)cc1)n1cc(Br)cn1 659240 NEBNGTTXFZIADO-UHFFFAOYSA-N 426.097 5.220 0 40 IKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2nc(-c3ccc(F)cc3)ccc12 661657 STGGUSTXONBMKV-UHFFFAOYSA-N 431.414 5.956 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 865993 KYXZGKZXZOKMIX-RTWAWAEBSA-N 436.437 5.949 0 40 IKAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)c1ccc2ccccc2c1 992716 OTIAMDWQWLIFBR-UHFFFAOYSA-N 432.479 5.732 0 40 IKAB O=C(CSc1nnc(-c2csc3c2CCCC3)o1)Nc1ccc(Cl)c(Cl)c1 1405213 JZLXPAGVVLNRRP-UHFFFAOYSA-N 440.377 5.715 0 40 IKAB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 1772217 LTQBEVYVCKAHPL-UHFFFAOYSA-N 442.389 6.192 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2069731 OXTZGIDEHNYLBF-UHFFFAOYSA-N 440.930 6.820 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cccc(Cl)c3n2)cc1 2079593 YTNJZCMUQLKWOQ-UHFFFAOYSA-N 433.866 6.042 0 40 IKAB CCCCOC(=O)c1ccc(N2COc3c(cc4c(CCCC)cc(=O)oc4c3C)C2)cc1 2159364 XCNPOVREQZQPGV-UHFFFAOYSA-N 449.547 5.757 0 40 IKAB biogenic CSc1nc(SCC(=O)Nc2ccc(C(C)=O)cc2)c2c3c(sc2n1)CCCC3 2246664 WNKSYIPRWIGHCY-UHFFFAOYSA-N 443.619 5.225 0 40 IKAB C[C@H](NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12)c1ccccc1 2291646 RUXBKXBABPGZEG-HNNXBMFYSA-N 441.922 5.300 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2Cl)c(=O)c(C)nn1-c1ccccc1 2331320 KLEWIAHUXJOSDW-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2408311 WNMKBBSHSWGILC-NRFANRHFSA-N 446.528 5.323 0 40 IKAB COc1ccccc1[C@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 2451936 LUZQTDPKABVXEN-XMMPIXPASA-N 427.529 5.323 0 40 IKAB CCOc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)cc1 2546388 DBZPIAHPFCUAOO-VWLOTQADSA-N 448.632 6.591 0 40 IKAB O=C(c1cc(Cl)nc(Cl)c1)N(Cc1cccnc1)Cc1cccc(Cl)c1Cl 2556145 RSBPCPTVJSFLML-UHFFFAOYSA-N 441.145 5.933 0 40 IKAB COC(=O)CCCNc1ccc(C(F)(F)F)cc1NC(=O)Nc1ccc(Cl)cc1 3104281 LVCDBDMONBRUOT-UHFFFAOYSA-N 429.826 5.368 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1 3236994 ASPFWKZFSLMGRL-UHFFFAOYSA-N 433.348 5.445 0 40 IKAB CCCCCc1ccc(-c2nc(-c3ccc(C4CCC(CCCCC)CC4)cc3)no2)cc1 4020420 ZCRCQBMBGWMEDR-UHFFFAOYSA-N 444.663 8.990 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 4385061 PFOYFRGRENSNPB-OAQYLSRUSA-N 425.532 5.312 0 40 IKAB CCC(CC)COC(=O)CC(CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC 4403558 LOJCVBYPRKBWPG-UHFFFAOYSA-N 428.610 5.321 0 40 IKAB CCCCCC1CCC(c2ccc(-c3ccc(-c4noc(CCCC)n4)cc3)cc2)CC1 4675677 ZRMAUUXSJNTAEJ-UHFFFAOYSA-N 430.636 8.600 0 40 IKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 6472293 HOCXWOYOGUFMPL-HSZRJFAPSA-N 432.486 5.348 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3C/C=C/c3ccccc3)CC2=O)cc1 8871533 IUVQNPWHOYSELO-YVWYTEFXSA-N 437.543 5.669 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 8922567 QGEQBQYHLVNXLD-VUCADHLHSA-N 449.978 5.250 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)Cc2csc(-c3ccccc3)n2)c1 9223375 CVPCISFKSNUAIE-UHFFFAOYSA-N 427.529 5.552 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1 9232691 GYSGCFDYIOLNSE-RUZDIDTESA-N 439.946 6.561 0 40 IKAB c1ccc(-c2nc3n(Cc4ccccn4)c(-c4ccccc4)cn3c2-c2ccccc2)cc1 9428666 WUFFASFLUGZKCW-UHFFFAOYSA-N 426.523 6.580 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc(CN3CCCCC3)cc2)c2ccccc2)c1 9516070 IDYCCDJTDBRBRE-NDEPHWFRSA-N 441.619 5.759 0 40 IKAB O=C(N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1c(F)cccc1F 9607614 HTLZVASIFHJPGX-LJQANCHMSA-N 425.822 5.188 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1Cl 9632876 IMRBVALWHARVQY-UHFFFAOYSA-N 442.298 5.721 0 40 IKAB COc1ccc([C@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCCCC2)cc1 10217965 DYQCZLLVTKEZTG-FQEVSTJZSA-N 441.622 5.146 0 40 IKAB CCN(CC)Cc1ccccc1CNC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 10284531 JCHJYGJQRGEHEM-FRIKZZABSA-N 432.699 5.147 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 12088155 RREQPILJXPAOED-NRFANRHFSA-N 434.584 5.101 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4OCCC(C)C)cc3)sc2c1 12137548 LTDWYPCAMPFNSP-UHFFFAOYSA-N 430.573 6.949 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 12194291 DRNMZJKMURLSBL-IAPPQJPRSA-N 426.560 6.806 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(CSCc2ccc(F)cc2)cs1 12287209 FCSFJONNDSJRPG-UHFFFAOYSA-N 448.588 6.564 0 40 IKAB CC(=O)Nc1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 12311250 YEORHGOYGSJLFA-PNHLSOANSA-N 447.947 5.559 0 40 IKAB CC(C)c1cccc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)nc12 12361946 IOSSFINDKKMKND-UHFFFAOYSA-N 437.568 6.815 0 40 IKAB O=C(COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 12375999 XGSPYQBMCRDWCC-UHFFFAOYSA-N 440.926 6.101 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc4c(c3)CCC4)[C@@H]2c2cccs2)cc1 13040493 RWRUBUFZHDDDPX-WIOPSUGQSA-N 430.573 5.668 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 13141688 DIFMZOKTIWBIMK-UHFFFAOYSA-N 445.563 6.292 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)ccc2Cl)cc1 13583780 MGPOXCRYZBJATN-UHFFFAOYSA-N 434.923 5.503 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 14272636 PSRFDXUGIAHCTN-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB Cc1sc2nc(SCC34CC5CC(CC(C5)C3)C4)n(-c3ccccc3)c(=O)c2c1C 14358579 UDGGWKGQUNCAHE-UHFFFAOYSA-N 436.646 6.373 0 40 IKAB c1csc(-c2csc(Cc3ccc(Cc4nc(-c5cccs5)cs4)s3)n2)c1 16778632 WZQHXRWTLRYYCF-UHFFFAOYSA-N 442.681 7.300 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 17094727 KAPDCCIOEMEJCA-UHFFFAOYSA-N 426.303 6.572 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17095692 UFXLAMPHWGUDHJ-UHFFFAOYSA-N 428.275 5.523 0 40 IKAB COc1ccc(Cl)cc1-n1c(S)nnc1CSCc1ccc(F)cc1Cl 17096783 QBNJTBPIKMADKF-UHFFFAOYSA-N 430.357 5.444 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4c(OC)cccc4OC)cc3)nc2c1 17096939 HYRHYOKENOXOPZ-MRXNPFEDSA-N 430.504 6.278 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CCc4ccncc4)C3)noc2n1 19452010 OUTSZPPAKKBYKS-INIZCTEOSA-N 446.473 5.099 0 40 IKAB CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2onc(C)c2C)cc1 19533136 GYCBBHSALIZFLS-HSZRJFAPSA-N 448.567 5.142 0 40 IKAB CCOc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20176836 RVTDKPANYPKXCE-NRFANRHFSA-N 448.910 5.700 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2Cl)cc1 20455860 LUIRBKRAAAPNOD-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 20460891 PNAHSMZEGGBKSJ-UZUQRXQVSA-N 436.939 5.627 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c1 20490663 WKXQOTHHEKKYKG-DEOSSOPVSA-N 448.588 5.220 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)cc1 20616534 GYKWSFHJTPGKRG-NMWGTECJSA-N 440.322 5.445 0 40 IKAB CC(C)c1ccccc1-n1ccnc1SCc1nnc(C(=O)NCc2ccccc2)s1 22080042 SECDGROFEQHVAV-UHFFFAOYSA-N 449.605 5.070 0 40 IKAB Cc1ccc(S[C@H](CS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 22134010 BLHSHQUHPAWWJR-OAQYLSRUSA-N 447.419 6.065 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C 22917879 QOLCRCBTSQBICN-QHCPKHFHSA-N 437.584 5.093 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2F)cc1 27664491 YIWQAGWCOCDOJW-OAHLLOKOSA-N 448.450 5.239 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1ccc(F)cc1Cl)c1ccccn1 28291453 IMTQQRVBVWHUIW-UHFFFAOYSA-N 449.707 5.249 0 40 IKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cccc(NC(=O)C2CC2)c1 31182568 ZMEYCHNWUDXONA-UHFFFAOYSA-N 431.439 5.430 0 40 IKAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1cccc(Cl)c1 32094718 FYCZPRAUTIHFPO-UHFFFAOYSA-N 439.968 5.934 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1C 32114592 LGOCHKFPKLRAFY-UHFFFAOYSA-N 428.488 5.628 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 35085965 QIRZAPOMCURPMP-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 35272869 BKYMRAMJTQYYNG-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB Cc1cc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)ccc1Br 35478600 ALBWZZBRZAIGEN-UHFFFAOYSA-N 442.332 5.815 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 44849152 VYBFFGLHLZVRGW-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2Cl)CC1 44855377 ANOOFPJCNLGCDK-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(NC(=O)Nc3ccc(F)cc3F)c2)c(C)c1 58060145 PRGKLQXWIZKNSU-UHFFFAOYSA-N 445.491 5.335 0 40 IKAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccccc1C(F)(F)F 67293333 XGSLJXSCGQYHOJ-MEFGMAGPSA-N 425.366 5.037 0 40 IKAB O=C(c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1)N1CCCCCC1 71795041 DSAUXQLLBNUEJV-UHFFFAOYSA-N 441.647 5.972 0 40 IKAB COc1cccc(OC)c1C(=O)NCC12C[C@@H]3C[C@@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 100222514 KNYXGOBZQAFZSY-QHSPCKSISA-N 433.592 5.589 0 40 IKAB CC(C)(C)OC(=O)N1[C@@H]2CC[C@@H]1c1c(nc(-c3ccncc3)nc1Nc1cccc(F)c1)C2 100493452 NAFZHHPHLGCAKY-UYAOXDASSA-N 447.514 5.418 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2cccnc12 102694969 TZTZHUYTZKHNCN-DXQXWHQDSA-N 430.507 5.478 0 40 IKAB 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)CCc2ccccc2)C1 118915004 OSYGNEOCCSKLON-QSGQTCIVSA-N 438.652 6.325 0 40 IKAB c1ccc([Sn](c2ccccc2)(C2CCCCC2)C2CCCCC2)cc1 195761339 PXQGTURWBNIMIM-UHFFFAOYSA-N 439.231 5.918 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)C2=O)cc1 214609495 BEUMUCRYXVSRCN-UDWIEESQSA-N 443.446 6.510 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 216406842 QRVXXFJSPVDTRO-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222654910 HFVWULVLJASFKP-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 223140660 RKJIWAWDFHULCV-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223299369 JXSKAKVMQWLERE-DEOSSOPVSA-N 438.612 5.185 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224035755 OULDIBIZOXLDMW-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COc1cccc(C)c1 224116470 LABAFZGTLVMVTI-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224177147 HZZMXMZRGUHRFY-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224187753 QQTLVBMKURBKHN-NRFANRHFSA-N 445.603 6.323 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 224309967 KKOXVOQBJJUYAL-LOSJGSFVSA-N 430.621 6.182 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 224391437 FCMPCXRZKCACQT-RTWAWAEBSA-N 449.580 5.262 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 224423471 UFTCDAMPDNBSRP-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224540626 ICVRSODRUVOLGN-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1OC 224583476 HOYFYJDOAUDCOK-KRWDZBQOSA-N 439.939 5.817 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225056477 LRNDROMVXAIUQX-RTWAWAEBSA-N 426.626 5.118 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225125247 XVFVBXRLAVNUSJ-DEOSSOPVSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225167506 BDOKRGSYZFRRAE-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225209295 OXFMHVSYRWYYBU-RUZDIDTESA-N 438.587 5.241 0 40 IKAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225341253 SADLFQJUMLERJL-UHFFFAOYSA-N 434.323 5.033 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225632803 LILPVNTYKCEFLD-MBSDFSHPSA-N 445.003 5.003 0 40 IKAB CC1=C[C@@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]21 226410861 SFPYDOIXKBOBNZ-DLTYFMDKSA-N 443.543 5.043 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408699383 TYQSNPMJNSIPAZ-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(OC)cc1 408822031 ADXDFVIPTKSXGB-UHFFFAOYSA-N 431.355 5.786 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 408906121 CQBDYMBRBMIVTJ-NTEUORMPSA-N 426.925 5.101 0 40 IKAB O=C(CSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408921876 JWLCXAVCLWRFPG-UHFFFAOYSA-N 448.569 5.371 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)o1 409004954 CNBRJIFEBMQKEA-SLEUVZQESA-N 444.384 5.303 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 409100793 WTFCIGIVOHHJNI-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(Cl)cc1 409120611 UQSDZMNBKBAAQO-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1O 409137257 WFBSOQCMEPIZSK-MHWRWJLKSA-N 440.359 5.170 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1CCCc1ccccc1 409141840 KJQLJTWGESAFRD-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409176825 YVIZCFLLIWYMTA-AREMUKBSSA-N 449.934 5.843 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C 524733568 VSIMABRCJHYORA-WIYYLYMNSA-N 447.572 5.540 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H](Cn1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 630054 MCKCPBXNNGDCBE-UPVQGACJSA-N 433.964 5.964 0 40 IKAB CCC(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 680592 SPJRBRHYEYATOX-UHFFFAOYSA-N 449.601 5.911 0 40 IKAB COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2cc(C)ccc2C)cc1OC 729505 IDVWAKXQPFNNCL-ZEQRLZLVSA-N 437.923 5.510 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2ccc(C)cc2[nH]c1=O 894884 DUSOHDHACAKPSJ-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccccc3c2=O)c1 1439966 ZVINXGPNHIKUBF-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 2079602 YJUUCONSOYGPAI-INIZCTEOSA-N 445.902 5.992 0 40 IKAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N[C@@H](c1ccccc1)C1CCCC1 2316770 ZMWYKOXCGMTGRE-VWLOTQADSA-N 432.564 5.281 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 2421925 NLLRERCLVYWIBR-INIZCTEOSA-N 444.299 5.010 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 3012773 KTFLEGVYMUZVHD-QZTJIDSGSA-N 434.849 5.758 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3247032 NDDGBVPKUVDLSW-INIZCTEOSA-N 444.512 5.350 0 40 IKAB CCc1cc2c(=O)c(Oc3ccccc3F)c(C)oc2cc1OCc1ccccc1Cl 3251595 SJCNCARZKVFRRK-UHFFFAOYSA-N 438.882 6.828 0 40 IKAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 3332273 QYIFWCLOTNBLSK-MRXNPFEDSA-N 427.422 5.408 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(SCc2cccc3ccccc23)s1 3355500 ZOGQABYQGOTSEY-UHFFFAOYSA-N 438.599 5.967 0 40 IKAB CCc1ccc(-n2c(SCc3cc(OC)c(OC)cc3C)nc3ccccc3c2=O)cc1 3439702 FPXGMSDSYHXFQU-UHFFFAOYSA-N 446.572 5.566 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655438 QYRCPIUVTITVGQ-UHFFFAOYSA-N 427.500 6.403 0 40 IKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4073276 WAIQWYALYSCYLA-OJGVMHKXSA-N 426.729 8.455 0 40 IKAB biogenic COc1ccc(CCNc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1OC 4757713 QWDFDEAJIWHMPP-UHFFFAOYSA-N 437.849 5.488 0 40 IKAB O=C(NCCCCCN1CCC2(CCCCC2)CC1)[C@H](c1ccccc1)C1CCCCC1 6575708 SFSBYBMQEOXDPV-HHHXNRCGSA-N 438.700 6.683 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cccc(Cl)c3)nc(-c3ccccc3)nc12 6860533 AYHTZYXINSGORD-UHFFFAOYSA-N 433.964 6.243 0 40 IKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 8753337 BCJHMSRUXGQCJK-QHCPKHFHSA-N 439.559 5.330 0 40 IKAB COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 8768344 JDOJGPFKNMGSNZ-OCOZRVBESA-N 449.601 5.718 0 40 IKAB CCCOc1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 8779005 ZXLVROLFGVZHJW-UHFFFAOYSA-N 441.358 6.759 0 40 IKAB CC(C)Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 9041983 NIFJYAHTPLYRHT-LITSAYRRSA-N 434.539 6.869 0 40 IKAB Cc1csc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)[nH]c(=O)c12 9305666 AFBKBXHFQATOPO-UHFFFAOYSA-N 437.571 5.215 0 40 IKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 9355482 XPRBGFCGWKWPSL-PMERELPUSA-N 442.562 6.633 0 40 IKAB O=c1c2c3c(sc2nc(SCc2cccc(F)c2)n1Cc1ccco1)CCCC3 9463777 RGHSCUVHDARGDW-UHFFFAOYSA-N 426.538 5.410 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccnn3C3CCCC3)[C@@H]2c2cccs2)cc1 9466167 IGNLGPHCFCDLHA-HYBUGGRVSA-N 448.592 5.491 0 40 IKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccc(F)cc4)c3c2c1 9725409 WAEVWGGUVGEDLW-UHFFFAOYSA-N 440.478 5.428 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(C(C)(C)C)cc4)cc3)oc2cc1C 10120439 SPCDPCXTZIEJBI-UHFFFAOYSA-N 442.559 6.104 0 40 IKAB CCN(Cc1ccccc1)C(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 10876265 QYLIDYKDMHYPKL-QGZVFWFLSA-N 443.638 5.185 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 12311912 JWDWZEZMBQUAPC-QHCPKHFHSA-N 442.544 5.042 0 40 IKAB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Cl)c(Cl)c1 12364450 TUHFZNZEHPPYTM-UHFFFAOYSA-N 438.314 6.141 0 40 IKAB Cc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n(C[C@@H]2CCCO2)c1C 12520279 GUGODZQJMVYKKE-ZDUSSCGKSA-N 448.803 5.370 0 40 IKAB Cc1ccccc1N[P@@]1(=O)c2c(C)nn(-c3ccccc3)c2N=C(c2ccccc2)N1C 12559710 SSXKIVUNMDWCGZ-YTTGMZPUSA-N 441.475 5.443 0 40 IKAB O=c1nc2n(c3sc4c(c13)CCCC4)Cc1ccccc1/C2=C\c1ccc(Cl)cc1 12578088 OAHQLRVJTOYAPV-DEDYPNTBSA-N 430.960 5.941 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)N(C)Cc1ccccc1N1CCCC1 12584192 RJPAFFLNWMWWAS-CCEZHUSRSA-N 448.998 5.165 0 40 IKAB CC(C)Cc1nnc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)s1 13109500 SEEHIRHIYAQBLY-UHFFFAOYSA-N 437.590 6.169 0 40 IKAB Cc1ccc(C(=O)c2c(NC(=O)CN3CCc4ccccc4C3)sc3c2CCCC3)cc1 13496085 VMIKDOZJALBBAT-UHFFFAOYSA-N 444.600 5.163 0 40 IKAB COc1ccc(-c2nc3c(s2)CN(C(=S)Nc2ccccc2Cl)CC3)cc1OC 13690764 OBIFLMYLLDYZHV-UHFFFAOYSA-N 445.997 5.236 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009352 TUBJNSLYVXKFRR-FQEVSTJZSA-N 434.967 5.041 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 14291129 ATFQMWPOQVUUCA-UHFFFAOYSA-N 442.003 5.194 0 40 IKAB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1ccc(Cl)cc1Cl 15319452 ZAAJAYHCQRYBPD-UHFFFAOYSA-N 438.314 6.141 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)ccc12 16031393 NBKBKRNRMMGSCU-YCRPNKLZSA-N 445.556 5.289 0 40 IKAB biogenic CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 17123384 ADVGETHEAVMOEJ-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1cccc(Cl)c1 20167997 TXDVYVDOYADXAH-HOTGVXAUSA-N 449.956 5.383 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1C 22520503 LVCBQBYAQJOTMV-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB O=C(Oc1ccccc1)c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 24522869 PYTLOBJFTRGQGY-UHFFFAOYSA-N 432.479 5.331 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc(I)c1 28121523 JIWJKMIFHVPMCH-UHFFFAOYSA-N 440.693 5.320 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C 28306097 PCOIUYQMIZAJFB-UHFFFAOYSA-N 436.846 5.121 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C)c3)sc2c1 33000457 PSGKUCSKCZHHSB-UHFFFAOYSA-N 427.595 5.710 0 40 IKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)Nc3cc(F)c(N(C)C)c(F)c3)cc2)o1 40156145 UMQQZVUZNRYYNZ-UHFFFAOYSA-N 434.446 5.309 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1O[C@@H](C)c1ccccc1 41076811 DLIJMTLEBAAPBX-HNNXBMFYSA-N 432.545 5.679 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@@H](C)CC5)o2)c1 58162737 DBTYQBHLOLWNTL-STQMWFEESA-N 437.594 5.610 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1 58331343 YWMDWVJRWZCEBX-JTSKRJEESA-N 427.504 5.094 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)c1 67217033 PIVQMXXZGWLUOH-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@]12C 70687370 MJVCJGGOYKSADY-DDXPSLRLSA-N 430.673 5.640 0 40 IKAB biogenic C[C@@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 72295515 BGEAKLWCPWMSNI-SFHVURJKSA-N 441.556 5.896 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(CCCOc2ccc(F)cc2)C1 72352493 YEXSEJQXOFPYMZ-KRWDZBQOSA-N 426.557 5.001 0 40 IKAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)c2cccc(Cl)c2F)n1 72361468 LOTWDTAPJSDVGY-MRXNPFEDSA-N 431.924 5.063 0 40 IKAB Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)n[nH]1 72371477 ZCVUTFONNWJUCM-HXUWFJFHSA-N 432.955 5.222 0 40 IKAB CO[C@H](C)c1nc(C)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)s1 89558986 GWUGRWXXTBCGDP-GFCCVEGCSA-N 425.535 5.394 0 40 IKAB Clc1ccc(OCCCc2nnc(SCc3ccccc3Cl)o2)c(Cl)c1 108248291 VXSYQAAVGBPWBP-UHFFFAOYSA-N 429.756 6.334 0 40 IKAB 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)CCc2ccccc2)C1 118915131 OSYGNEOCCSKLON-CGKHQHHXSA-N 438.652 6.325 0 40 IKAB CCSC1(SCC)CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929217 ZXXFJBWMFVMIFM-PPOWDTIZSA-N 436.727 7.083 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CCC(F)(F)F)CC[C@@H]32)C1 118933516 FSIYIALQTPKKEU-NKPDLQHQSA-N 442.562 6.489 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 197664959 LAAGUFXGFUJBRL-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1NS(=O)(=O)c1ccccc1 222943243 JWCAXYLBWHKADM-LJQANCHMSA-N 448.588 5.166 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222984289 JEZMYJKZBQBFHJ-QHCPKHFHSA-N 442.603 5.542 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 223072752 DDOXMMLHANGXFB-FCHUYYIVSA-N 441.984 5.312 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223407069 WXBWVDQKVFPODT-OAQYLSRUSA-N 430.589 5.030 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223779942 ZOAXGESRCNKWFW-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 223792852 GDUPMAVNFPOYHX-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224209923 AIQDQQXITSEPRD-SFHVURJKSA-N 433.017 5.012 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224320476 VORCSLYHXCGPTE-GOSISDBHSA-N 429.491 6.058 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)c1 224539835 OYQABTGPTKFLBN-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 224542188 IQHSPIJJSXBACC-QHCPKHFHSA-N 445.003 5.079 0 40 IKAB O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224566219 CUPRXVULZOTPEC-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1CSc1ccc(Cl)cc1 224672561 CPRKYZMDHRYBKW-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224885232 BNKUPIATYIOAQD-PKTZIBPZSA-N 446.963 5.408 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)ccc1Br 224918059 QWENBBRNYQWTHC-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225312395 NPXCPGICORRMKL-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 225523346 ATRZDVWJFDZCEI-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 225534901 GLMOOQSLYFHJOR-UHFFFAOYSA-N 449.551 5.018 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225616315 OJRMEKCLUIEMGN-PGRDOPGGSA-N 447.044 5.544 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225625501 JIOWIBZKCRWVPC-UHFFFAOYSA-N 441.822 5.811 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 225682233 PNYRNJSMMLIQRW-KRWDZBQOSA-N 435.387 5.355 0 40 IKAB O=C(NCCNc1ccccc1)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 257204439 AUPQSHFQOCVCNL-UHFFFAOYSA-N 432.539 5.060 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)C2CCCCC2)CC1 257328164 XELHUWVVAAUVMG-UHFFFAOYSA-N 447.623 5.005 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Br)cc1 408564546 ZJSYXSZKAGGSHR-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cccc(C)c2C)cc1 408623832 PZKLKGKVYJQGDU-UHFFFAOYSA-N 442.625 5.036 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(F)cc2)cc1Cl 408699102 URIYSBCHJJBHIT-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB Cc1cccc(C2=N/C(=C\c3cccc(OC(=O)c4ccc(C(C)(C)C)cc4)c3)C(=O)O2)c1 408984737 JPZQNXIRBLTCIK-ULJHMMPZSA-N 439.511 5.856 0 40 IKAB CC(C)COc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 585263484 VSZASTGSYSSITD-UHFFFAOYSA-N 440.543 5.927 0 40 IKAB O=C(O)/C=C/c1ccc(CN2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)cc1 2037873445 KXJWZYJNVHFYJR-RGPPVUSESA-N 436.939 5.744 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 2049238423 SFKSZNDXMPANHH-OJMPHCHBSA-N 444.700 7.030 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NC4CCCCC4)sc3c2)cc1 1059437 GTQDHYFTNGVMLP-UHFFFAOYSA-N 439.606 5.398 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359526 PPZPHNIDMQWEJE-JOCHJYFZSA-N 441.506 5.414 0 40 IKAB Clc1ccc(SCN(CSc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1575402 HDXZUCFMRYLPLQ-UHFFFAOYSA-N 440.848 7.953 0 40 IKAB Brc1ccc(OCCCCCCOc2ccc(Br)cc2)cc1 1682781 RCTHJRFRURADHF-UHFFFAOYSA-N 428.164 6.230 0 40 IKAB in-vitro CCCCCCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2104246 RCMPQCKGDIPOLX-NRFANRHFSA-N 440.594 5.717 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2CCc2ccccc2)cc1 2224728 CQBLLBVQBQKBTO-UHFFFAOYSA-N 448.617 5.543 0 40 IKAB Clc1cc(Br)ccc1-n1c(-c2ccccc2)nc2nc3ccccc3nc21 2235785 KCKAJFSNPOEHHC-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2399630 SCOKLZMANQWSPK-JOCHJYFZSA-N 433.891 5.908 0 40 IKAB COc1ccc(N(Cc2cccc(C(F)(F)F)c2)S(=O)(=O)c2ccc(C)cc2)cc1 3359438 XRXCSBCMFAUJFY-UHFFFAOYSA-N 435.467 5.418 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)C2CCCCC2)sc(C)c1-c1ccccc1 4352814 VTAJYQRRVRUXPT-UHFFFAOYSA-N 430.595 5.294 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@@H](O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 5631424 AYNSZTKDERUHKJ-CQHKTHSUSA-N 431.620 5.198 0 40 IKAB biogenic Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc3c(c(-c4cccs4)c12)CCCC3 6189131 RIPLGYIKFYBXQQ-UHFFFAOYSA-N 439.993 6.392 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)nc2c1 8831964 GPDPYBRESNUHNN-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB CCCC[C@](CCC(=O)O)(C(=O)OCC)c1csc(Nc2ccc(OCC)cc2)n1 8836709 GGWRDSXIQRCPDL-JOCHJYFZSA-N 434.558 5.141 0 40 IKAB Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)nc1 8845997 LDJHPJWUZLBKHL-QHCPKHFHSA-N 428.463 5.509 0 40 IKAB Cc1ccccc1Oc1nc(-c2ccccc2)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1 8855500 YSEPORGMKAOKIW-UHFFFAOYSA-N 449.959 6.644 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 8870287 FFNROQRXQSGOTQ-MRXNPFEDSA-N 446.012 6.737 0 40 IKAB O=C(NC(Nc1cccnc1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl 9282619 GZCSSNWRMHPDQD-UHFFFAOYSA-N 432.151 5.051 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2-c2ccccc2)cc1 9307744 SABYOIKJVIJTSO-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB Cc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl 9464265 ITCNSWHEKIJBSQ-HSZRJFAPSA-N 433.939 5.333 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12)c1ccccc1Cl 9518512 HQZOMVQFQCUHKT-UHFFFAOYSA-N 448.862 5.362 0 40 IKAB Clc1ccccc1-c1nnc([C@@H](Nc2ccc(Br)cc2)c2ccccc2)o1 9561395 QHTOMWNWFQSYDY-IBGZPJMESA-N 440.728 6.354 0 40 IKAB Cc1nc(N2CCC[C@@H](c3nnc4ccccn34)C2)c2cc(-c3ccccc3)sc2n1 9670644 RPWGUBVLZOCXNB-GOSISDBHSA-N 426.549 5.093 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nnc(NCc3ccccc3)s2)c2ccccc2S1 9952812 SVOMIWLBYKBOMH-OAHLLOKOSA-N 442.635 5.160 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)Nc3c(C)nn(C)c3C)nc2c1 9952916 JTAQHAMOJQGDER-QGZVFWFLSA-N 446.576 5.380 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CCc1ccc(Cl)cc1 11653767 RCZHUKRKHMZCNE-UHFFFAOYSA-N 438.911 5.181 0 40 IKAB CCOc1ccccc1NC(=O)c1sc(=S)n(-c2cc(Cl)ccc2OC)c1N 12416087 NVXWZJYIKGTNAW-UHFFFAOYSA-N 435.958 5.163 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2C2CCCCC2)cc1 12519993 LLXAQVAFLADALI-INIZCTEOSA-N 436.581 5.619 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 12624871 DAGUFHAEYSXVRN-CQSZACIVSA-N 436.558 5.771 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(c2ncnc3c(-c4ccc(F)cc4)nsc23)CC1 12639240 VZBCOCMLZBHQPI-UHFFFAOYSA-N 439.947 5.181 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)c1cccs1 12791871 AUHVPPYBRFLMRG-UHFFFAOYSA-N 429.545 5.222 0 40 IKAB Clc1ccc(-c2csc3ncnc(NC[C@@H](c4ccccc4)N4CCCC4)c23)cc1 13031178 QWANRNRPGJOGEZ-NRFANRHFSA-N 434.996 6.261 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccs1 13498230 PKCSUIXWLBVQJA-SANMLTNESA-N 446.616 5.428 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc1Br 13534417 ONJMRYHJSXTVRO-UHFFFAOYSA-N 439.740 6.835 0 40 IKAB Cc1ccc(O)c(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)c1 13567135 OKBGZVMVZXGVEE-UHFFFAOYSA-N 425.560 5.318 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)c1oc2ccccc2c1CSC1CCCCC1 14358908 XFDRTTOQNBMUQH-UHFFFAOYSA-N 443.996 7.221 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(Cl)cc1 15634705 WIXCDLDUYVVUOU-BMJUYKDLSA-N 448.717 8.505 0 40 IKAB O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)c1ccc(Cl)s1 16429376 VPIWIYKBWXYEJP-UHFFFAOYSA-N 435.401 6.366 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 16429710 LTPCPTHVDUIIRJ-UHFFFAOYSA-N 431.250 5.958 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccccc2C)cc1OC 17181047 ZEIBFCOZLOLPOR-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)c1ccccc1 19459164 GWLXLHAGDCXGNK-FRYIKTPZSA-N 444.570 5.213 0 40 IKAB COc1cccc(CN2CCC[C@](Cc3ccccc3-c3ccccc3OC)(C(=O)O)C2)c1 19565010 XYWKOYQXXKUXSB-MUUNZHRXSA-N 445.559 5.280 0 40 IKAB COc1ccc(CNc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccccc23)cc1 20382546 LSPLEXSVSDGBJP-UHFFFAOYSA-N 438.936 5.342 0 40 IKAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20494988 WGLHYTIRNPGANK-GOSISDBHSA-N 446.547 5.651 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)c(OC)c1 21595864 GYPSFSUTZHVNPK-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB COc1cccc([C@@H](CNc2ncnc3sccc23)c2c[nH]c3ccccc23)c1OC 23381121 IWBZSWBTCLSJKU-LJQANCHMSA-N 430.533 5.434 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709462 QNLCTZLYZOJZAD-HSZRJFAPSA-N 430.554 6.066 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3cccc(C4SCCCS4)c3)c12 25449722 SGCLWEZXLXWMST-UHFFFAOYSA-N 426.611 5.521 0 40 IKAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913887 PEEPFRAPLSASTI-UHFFFAOYSA-N 428.485 5.834 0 40 IKAB CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]21C 28639021 NVNUNRUPWXZKAL-YKHKZODKSA-N 442.728 7.428 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(O)cc(-c3sc(-c4ccccc4)nc3C)n2)cc1 33170078 UATPIMBFCPTVGM-UHFFFAOYSA-N 448.573 5.320 0 40 IKAB Cc1ccccc1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2ccc(Cl)cn12 35606523 LIJXEBPXCRNNOJ-UHFFFAOYSA-N 449.835 6.943 0 40 IKAB COC(=O)c1cc(-c2cccc(OC(F)F)c2)nc2c1c(C1CC1)nn2-c1ccccc1 36615350 CNZXXUPPCGSPBT-UHFFFAOYSA-N 435.430 5.353 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3cnn(Cc4ccc(C)cc4)c3)cc(C3CC3)nc21 36616085 JRBJYUSRIYTXJZ-UHFFFAOYSA-N 442.567 5.223 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1Cl 44939862 MMWZGPXNGFAKLB-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccccc1C 46085296 JUXPZWQHHZVOOI-MHZLTWQESA-N 433.555 6.525 0 40 IKAB COc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 57316128 UWLUPTPKWVVQQY-FMIVXFBMSA-N 435.530 5.091 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1ccccc1Cl 59855326 XFJFXJMXLOYOLB-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB Cc1c(NC(=O)c2cc3cc(Br)ccc3o2)cccc1C(=O)Nc1ccccc1 60274274 IVTFHOIQTQEAKW-UHFFFAOYSA-N 449.304 6.008 0 40 IKAB C=Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)cc1 67260381 GVDGOYIICHTLFK-UHFFFAOYSA-N 432.530 5.236 0 40 IKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214586 DOSNFCLXQXIRPG-IBGZPJMESA-N 433.593 5.941 0 40 IKAB FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3nc(-c4ccsc4)no3)n2)c1 72308665 HVOSHYFQYZAIBC-KRWDZBQOSA-N 445.470 5.544 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 72354023 QEOBJNQSMOYGOO-FQEVSTJZSA-N 448.998 5.256 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3c(C(C)C)n(C)n(-c4ccccc4)c3=O)c(F)c2)cc1 78789880 FLVHVBCESIBXGW-UHFFFAOYSA-N 443.522 5.666 0 40 IKAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 84019701 VZZCNETUTCQTFM-UHFFFAOYSA-N 442.972 5.663 0 40 IKAB Cc1cc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)cc(C)c1Cl 84086113 FKZQXOSUALPQOT-UHFFFAOYSA-N 430.213 5.362 0 40 IKAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(C)s3)CC2)Oc2ccccc21 96053470 IDXGAJRDHXWCIQ-HXUWFJFHSA-N 426.626 5.216 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(/C=C(/CCC(=O)O)c3nc4ccccc4s3)c2)cc1 96767642 GWUNVNIOZFPFLQ-HKWRFOASSA-N 442.540 6.262 0 40 IKAB O=C(OCC1c2ccccc2-c2ccccc21)n1cc(-c2noc(C3CC3)n2)c2ccccc21 98071639 PFVLQGHFBHHTCJ-UHFFFAOYSA-N 447.494 6.366 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(C)cc1 106982717 PRYWXKLJZPDZCH-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)c1 113938246 MWWLSDPFSUSYRR-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC(C)C 214191173 COVRCTILHPVFKT-UDWIEESQSA-N 431.941 5.762 0 40 IKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218886102 RAGVXTVHSYXROX-UHFFFAOYSA-N 446.429 5.998 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@@H](CC)c1ccc(C)cc1 219478528 GDTGGGQWPSUDIB-QHCPKHFHSA-N 448.588 5.001 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 223341805 SWXLRPYWPRMTMO-DNQXCXABSA-N 434.609 5.771 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223358703 COQQEERTPZUMMC-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223549310 ILTPIFSSFJPZQA-HHHXNRCGSA-N 448.607 5.572 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 224242771 RSBGTNVHSIWGOG-XMMPIXPASA-N 438.637 5.094 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224440139 BDTRHVVDTOUEEU-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224517351 KUYQPWMCPHYMEF-LJQANCHMSA-N 449.566 6.592 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccc(OC)cc1 224600784 VDWQFMHPVJFGCR-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225312365 NPXCPGICORRMKL-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225346175 VAKZQLXKPBPCJX-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225376102 SFSXKVVNLGNKLY-UHFFFAOYSA-N 431.285 5.294 0 40 IKAB S=C(NCCCSCc1ccccc1Cl)Nc1ccc(Br)cc1 225605987 WDLVMTPCROTJSM-UHFFFAOYSA-N 429.836 5.712 0 40 IKAB COc1ccc2ccccc2c1CCC(=O)N1CCC(Oc2cccc3cccnc23)CC1 238816372 BOGVGSYBVVBTFS-UHFFFAOYSA-N 440.543 5.399 0 40 IKAB COc1ccccc1-c1ccc(CN2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)cc1 257249187 JHEYCPPJISXZFF-RBJSKKJNSA-N 444.550 5.140 0 40 IKAB Cc1ccc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)s1 257296624 RDPKNRVKHQEPPO-UHFFFAOYSA-N 446.616 5.277 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 301315015 MLSZUGFSRHUHIP-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(N2CCN(C(=O)/C(=C/c3ccccc3Cl)c3ccccc3)CC2)c1C 408563345 LQBXRTKRNSHDCO-LYBHJNIJSA-N 430.979 5.846 0 40 IKAB CC(C)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408808457 PRBAULBVVWUXCM-KQXXUEMGSA-N 435.613 6.528 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1Cl 408816259 TTWVLCWJYYTVSX-WQRHYEAKSA-N 425.849 5.539 0 40 IKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409120023 SHUOYLBTYLEHMU-UHFFFAOYSA-N 427.982 5.908 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)c1ccc(Cl)cc1Cl 409273156 VYTZTHJUVNLDQY-UHFFFAOYSA-N 441.270 5.537 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1C 409376409 AOCSYISQJAHNNA-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)[nH]c2c1 1848353251 NQARQCPUMYEKBQ-IBGZPJMESA-N 433.939 5.728 0 40 IKAB Nc1c(C(=O)Nc2ccccc2Br)sc2nc(-c3cccs3)ccc12 660306 GQMNJPMWZOOXCC-UHFFFAOYSA-N 430.352 5.622 0 40 IKAB Cc1cc(F)ccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901215 KBFFZZHZFASYBY-ZDUSSCGKSA-N 435.446 5.729 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1C1CC1 1431661 HCXYYWSDQITVII-UHFFFAOYSA-N 439.890 6.083 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1cc(Br)ccc1OC 1854416 DQPBDEMPEOELFE-TZIYXEQSSA-N 447.398 5.498 0 40 IKAB Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc4c(c3)OCO4)n2)cc1 2130599 DQLURHZPBVNZPI-UHFFFAOYSA-N 435.483 5.350 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)COc2c(C)cc(Cl)cc2Cl)sc2c1CCCC2 2138410 YMYNRIHJBGGYQP-UHFFFAOYSA-N 442.364 5.436 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 2145426 IZMNMTCKXCHODH-UHFFFAOYSA-N 434.405 5.974 0 40 IKAB COc1ccccc1-c1cc(-c2ccccc2)nc2sc(C(=O)NC(C)(C)C)c(N)c12 2202972 XJIBQOJZWNAORT-UHFFFAOYSA-N 431.561 5.749 0 40 IKAB CCCCCCn1c(O)c(C(=O)Nc2cccc(Br)c2)c(=O)c2ccccc21 2291064 YHINXVIKSAWBES-UHFFFAOYSA-N 443.341 5.302 0 40 IKAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccccc4)o3)n2Cc2ccco2)cc1 2640716 RRQNKUGLYDZNAL-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB CC[C@@H](NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 2789234 LFCWKFYAZKYDLW-GOSISDBHSA-N 444.398 5.560 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2cc(Cl)cc(Cl)c2)cc(C(C)(C)C)c1 3217624 YNPLNBQOULUMHH-UHFFFAOYSA-N 436.379 6.384 0 40 IKAB CCOc1ccc2nc(NC(=O)c3ccccc3OCc3ccccc3Cl)sc2c1 3272605 FMNDDZIBWIOWSG-UHFFFAOYSA-N 438.936 6.180 0 40 IKAB C[C@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3291573 FJPODYHFBDQECX-VKJYCEFSSA-N 430.234 5.178 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)c2ccccc2)c1 3310295 DVWSRYGRKWIQHQ-GOSISDBHSA-N 448.415 6.562 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 3469535 MEHKZINTZUXHDC-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 3648942 WPGWWJIFBYIKSM-RUZDIDTESA-N 435.571 6.158 0 40 IKAB Clc1ccccc1COc1cccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1 4112712 SVNOUXPQWZTDNM-UHFFFAOYSA-N 436.942 7.643 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)cnc1NCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4678392 ACAFGGNTLZEKFG-UHFFFAOYSA-N 426.004 6.653 0 40 IKAB CC(C)Oc1ccc([C@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 5501246 HWPUVKJLWUXEAN-NIYFSFCBSA-N 425.975 7.139 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)n1 8827448 JLKKEQJZVHNSIE-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(SC)c1 9002289 DKRMUALUTYCMAP-UHFFFAOYSA-N 433.576 5.033 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2c(F)cccc2s1 9151915 ZHHPUHCPUUHGSG-UHFFFAOYSA-N 447.579 5.625 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3C)nc2c1 9226601 IHYSYRMRZLWRJI-UHFFFAOYSA-N 446.375 6.368 0 40 IKAB Brc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9304739 GVRVYQAAZNPRCM-CVDCTZTESA-N 449.304 5.420 0 40 IKAB Cc1cc(C)c(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c(C)c1 9420848 QOTFBWOAALLOJN-UHFFFAOYSA-N 443.499 5.836 0 40 IKAB Cc1ccc(C)c(-n2c(SCc3cn4cccnc4n3)nnc2-c2ccccc2Cl)c1 9441439 RXUSKEMCPJPDHO-UHFFFAOYSA-N 446.967 5.540 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1OC 9446344 BQHHVOGFHQOCEG-UHFFFAOYSA-N 430.287 5.494 0 40 IKAB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)no1 9449356 WPYRHWSBIRQQJI-QGZVFWFLSA-N 427.243 5.146 0 40 IKAB CCOC(=O)c1c([C@@H]2COc3ccccc3O2)csc1NC(=O)c1ccc(Cl)cc1 9553688 SLBDRSZYRODMCI-SFHVURJKSA-N 443.908 5.343 0 40 IKAB Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)c(C)c1 9597248 LVCPPVZBPCXOKS-UHFFFAOYSA-N 426.463 6.412 0 40 IKAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C1CCCCC1 9793125 WRWLWNAHUZWSGK-GOSISDBHSA-N 434.609 5.728 0 40 IKAB COc1cccc(Nc2nnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)s2)c1 10267627 YLLBNUUYFUOKNF-NSHDSACASA-N 445.595 5.058 0 40 IKAB CCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1ccc(Cl)c(Cl)c1 11691391 SLBANXDBWFSQAA-UHFFFAOYSA-N 446.359 5.581 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 11866356 AOPNMUIWSBODBE-UHFFFAOYSA-N 439.870 6.403 0 40 IKAB biogenic COc1ccc(CNC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc23)cc1 12424620 GGRQFUXCUAHLLS-OAHLLOKOSA-N 435.574 5.164 0 40 IKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCCCC2)c1 12799379 HQIMNYSJJBGAAZ-UHFFFAOYSA-N 434.517 5.013 0 40 IKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCC(c2nc3ccccc3s2)CC1 12876779 DIDYTSLZWZZQHA-UHFFFAOYSA-N 447.412 6.838 0 40 IKAB CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 13025614 BSDGHGDVDHTSRL-QFIPXVFZSA-N 438.549 5.187 0 40 IKAB Cc1cc(/C=C2\Sc3ccc4ccccc4c3N2C)cc(C)[n+]1-c1ccc(C(C)C)cc1 13051256 PMLFFYICUOSIFZ-UHFFFAOYSA-N 437.632 7.397 0 40 IKAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccccc3)c3ccccc23)c1C 13164114 BTCNGWFFCYHMGY-UHFFFAOYSA-N 431.561 5.337 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687533 LAKYCPNFRASXLE-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)c(C)c2)CC1=O 13751500 XZAGRGAUAFIRCK-OAQYLSRUSA-N 425.532 5.231 0 40 IKAB CC(C)[C@H](NCc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc2c(c1)OCCCO2 14014644 QCCQFNPTTFPJRJ-SANMLTNESA-N 430.548 5.587 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccccc1N1CCCC1 14071092 INQDTUWPTMBWGF-MHZLTWQESA-N 443.591 5.416 0 40 IKAB COc1cc(CNC2CCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195623 DZUKEIVBVHMIGC-UHFFFAOYSA-N 442.814 7.047 0 40 IKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 16291047 UTGVXNQIYIPFLC-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2Cl)CC1 17096779 YSMSIZZCCACBDG-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3O)nc2c1 17097579 JEPGYRHGVIZJBS-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB Cc1ccc(NC(=O)CSc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1 18142779 KZIXEZFAPNDUQI-UHFFFAOYSA-N 434.948 5.888 0 40 IKAB C[C@@H](OC(=O)Nc1ccc(Cl)cc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 19014975 RGLPJASNTHMEBQ-CQSZACIVSA-N 444.318 6.947 0 40 IKAB O=c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2cc(Cl)ccc2o1 19371290 WBAZASIHBCHIIX-UHFFFAOYSA-N 444.962 5.354 0 40 IKAB biogenic CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)c2sccn12 19523091 OKLBKYQIJKCEGR-GOSISDBHSA-N 449.580 5.326 0 40 IKAB CCn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccccc1Cl 19634874 ULRWGBREVXEYJH-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB O=C(Cc1ccccc1)NC1CCC(CC2CCC(NC(=O)Cc3ccccc3)CC2)CC1 19645324 CUWVEBGAACLTJW-UHFFFAOYSA-N 446.635 5.212 0 40 IKAB Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)c1 19893501 XFNLXYCLRZTDIB-IRLDBZIGSA-N 429.734 6.889 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411211 STFWDUSOTNEAPH-UHFFFAOYSA-N 428.532 7.049 0 40 IKAB COc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2cccc3ccccc23)cc1 24746759 ODLMVEMVMRYULO-UHFFFAOYSA-N 425.488 5.151 0 40 IKAB CCOc1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1ccccn1 24751313 WQSYCAZRPIMDFU-DEOSSOPVSA-N 438.955 5.840 0 40 IKAB CCCc1ccc([C@@H](NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)C)cc1 24767253 ZUSODGZHRNDRPM-NRFANRHFSA-N 426.561 5.369 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 24832204 NMUHSCASCZNYCY-UHFFFAOYSA-N 440.425 5.095 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 28526983 JRFCKPFKVCUAQS-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB Brc1ccccc1-c1nnc(SCc2nccn2Cc2ccccc2)o1 31702599 BSHPDISRWRFIDN-UHFFFAOYSA-N 427.327 5.036 0 40 IKAB CC(=O)[C@H](CN(CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841582 WLJJKQXSWXBIGG-UKILVPOCSA-N 449.591 5.450 0 40 IKAB O=c1[nH]c(-c2ccc(-c3cccc(Br)c3)o2)nc2sc3c(c12)CCCC3 32109535 AWRVGAQVZHJEKC-UHFFFAOYSA-N 427.323 5.553 0 40 IKAB CCOc1cccc2c1O[C@@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 36352225 QHLFBLZCLTWWCE-DHLKQENFSA-N 434.923 5.990 0 40 IKAB Cc1cc(C)n(C[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c(=O)n1 36624824 UJIYZTFDPNZRJR-XMMPIXPASA-N 449.554 5.210 0 40 IKAB Cc1cc(Br)ccc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 36811770 NYJXCZJIWATCFG-NRFANRHFSA-N 437.337 5.257 0 40 IKAB CCCOc1ccccc1CCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44851645 KBJRFVHQDSILHD-UHFFFAOYSA-N 442.603 5.396 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1 44904199 HCEGQMRXWFELMY-NRFANRHFSA-N 449.016 5.094 0 40 IKAB COc1cc([C@@H](C)NC(=O)c2cc3c(F)cccc3s2)ccc1OCc1ccncc1 59316073 RJQXXUNBDBZQNK-OAHLLOKOSA-N 436.508 5.514 0 40 IKAB O=C(Cc1ccccc1)N1CCC(CCCC2CCN(C(=O)Cc3ccccc3)CC2)CC1 59474685 BRKSZUWDNYOETD-UHFFFAOYSA-N 446.635 5.119 0 40 IKAB COc1ccc([C@H]2NC[C@@H](c3cccc(OC)c3OC)c3c2[nH]c2ccccc32)cc1OC 83975911 MIBRBZIHVIFGLP-UQBPGWFLSA-N 444.531 5.027 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CN[C@H](c3ccccc3)c3cccs3)cs2)cc1 89284887 GPHUIZGUTRFXED-XMMPIXPASA-N 447.629 6.331 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1C 95349030 IOFDEXJYMTYZFQ-UHFFFAOYSA-N 427.576 6.000 0 40 IKAB CC(C)Sc1ccccc1C(=O)N(C)Cc1nc(-c2cccc(Br)c2)no1 96235937 TZNYRCYRUSGYAI-UHFFFAOYSA-N 446.370 5.272 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C2/N=C(c3ccc4ccccc4c3)OC2=O)cs1 96635081 MJVWEFDJANRWQC-HYARGMPZSA-N 439.496 5.325 0 40 IKAB CC(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 100840831 LHZNKHFGDSDGSP-LCUIJRPUSA-N 432.932 5.803 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@H]3C2=O)c1 100933976 VCKMBHWNGBOGEH-CYXNTTPDSA-N 434.495 5.199 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219845886 DFPNZFNLPRONKK-RUZDIDTESA-N 437.967 6.445 0 40 IKAB Cc1c(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cccc1N(C)S(C)(=O)=O 222433986 VQAUBJUCELIGQO-UHFFFAOYSA-N 444.940 5.089 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 223766257 ATDNBBWDAZTBBL-IBGZPJMESA-N 433.523 5.367 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223779823 YOTPJFRIBXHCFV-DNQXCXABSA-N 432.593 5.574 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 223808910 PDLJNMABLLTKLD-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(Cl)cc1 224157951 OKYRJHSGFHRSKR-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224365228 LQKGRAKDFQNSJB-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 224380228 WOQNNARPQWHKFX-UHFFFAOYSA-N 427.953 5.320 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224528270 XXHMYPJVGVNVMR-UHFFFAOYSA-N 435.539 6.031 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224586587 FBYXUWXORAKVFN-SANMLTNESA-N 436.640 5.631 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1C 224756856 ZHRIBNTVFOXCBE-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 224891787 XYGOLODUAROOPB-UHFFFAOYSA-N 430.118 6.527 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1Cl 224954803 ILAHOPLTJXMLQK-RTWAWAEBSA-N 441.000 5.477 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225095835 IZMOAQIRQNGCTA-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225174171 HBWPGLMTPARBDI-ROUUACIJSA-N 433.017 5.154 0 40 IKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 225778879 ZXQAKCLVRYGMAK-JXMROGBWSA-N 446.978 5.390 0 40 IKAB CCN(C(=O)C(F)(F)F)c1ccc(-c2cc3ccccc3oc2=O)c(Br)c1 226358448 BFXFEAWDGBWNPB-UHFFFAOYSA-N 440.215 5.138 0 40 IKAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CCC2CCCC2)CC1 257310814 UGRRQFVWVWKQCB-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(Cl)ccc(C(=O)OC)c3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 408622368 PBEPDXSZQOFGHO-BEWDEPOQSA-N 425.912 5.210 0 40 IKAB CCOc1ccc(Cl)cc1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 408635226 YMHKUAHWTPKICU-YBEGLDIGSA-N 437.304 5.660 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(F)cc1 409017599 VGWQVJZPKNIAAD-WOJGMQOQSA-N 428.872 5.316 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2cccc(C)c2)C1=O 409055182 KGKMGEVOIMOLPF-HAHDFKILSA-N 431.513 5.824 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409059131 PQHISFPIGCDDOS-UKWGHVSLSA-N 445.371 6.441 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409112853 LZJFWFIAUWOGPJ-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CCc1ccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 409118518 NWRHJIYQCVTURX-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409176640 UBQFLRLOJXJNIK-ZPTXYVIGSA-N 442.990 7.197 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 409268000 XQSJXOKEQUWRHO-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB COCc1cc(C)nc2sc(C(=O)Nc3ccc(Br)cc3Cl)c(N)c12 409372216 CXZXCXDTYDOWFX-UHFFFAOYSA-N 440.750 5.002 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)cc1 409373289 GQJDIBUDIYYGST-MOSHPQCFSA-N 438.549 5.076 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2ccc3c(c2)C[C@H](C)O3)Cc2ccccc21 643587822 OTVJRZKFFULXNT-NRFANRHFSA-N 448.607 5.606 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cccnc1Cl 646588 GMTODCWBZIZXFT-LLVKDONJSA-N 438.862 5.330 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc3n2)cc1 661566 SZNHHXCIGYKVCA-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB COc1ccc(CNC(=O)c2sc3nc4c(c(C(F)(F)F)c3c2N)CCCCC4)cc1 664016 ZIFIUQOBVSMWBJ-UHFFFAOYSA-N 449.498 5.105 0 40 IKAB CCc1cc([C@H](c2cccc(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 1235991 KJZITLVURIBBHV-VWLOTQADSA-N 448.632 6.393 0 40 IKAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1cc(Cl)ccc1Cl 1789825 BAVJQLIVVPIYKX-JTQLQIEISA-N 438.405 5.996 0 40 IKAB Cc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1ccc(-c2ccccc2)cc1 2187021 AKUPPTYXSAKWMZ-UHFFFAOYSA-N 438.508 6.144 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nnc(-c3ccco3)o2)c1 2248830 YMYPYHSXTUBSDK-UHFFFAOYSA-N 443.503 6.062 0 40 IKAB CCCc1nc2sc3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c2c1CCC2 2410766 SJGPOAUDWXVJFU-UHFFFAOYSA-N 442.632 6.140 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1cccs1 2725841 YDBGRBPWSAWHOD-LJQANCHMSA-N 438.553 5.638 0 40 IKAB Cc1c(OCc2ccc(Cl)cc2)c(=O)ccn1-c1ncc(C(F)(F)F)cc1Cl 3128578 PHMCLFCKQHCPPX-UHFFFAOYSA-N 429.225 5.446 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(COC(=O)c2cc3ccccc3o2)nn1-c1ccccc1 3172168 RFADHXBBOBJVKC-UZTOHYMASA-N 426.516 6.150 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC(Cc2ccccc2)CC1 3209317 YQAMECSUDVXDTN-UHFFFAOYSA-N 427.573 5.696 0 40 IKAB Cc1cc(NC(=O)C2c3ccccc3Oc3ccccc32)n(-c2ccccc2C(F)(F)F)n1 3215483 ZDOACFYJTWOFFB-UHFFFAOYSA-N 449.432 6.076 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)CC(=O)Nc1ccccc1Sc1ccccc1 3428972 PWOWSZKZRKJARY-UHFFFAOYSA-N 439.968 5.000 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 3584079 SCEKBNVSEKNFNW-QUCCMNQESA-N 444.457 5.421 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccccn1 3999406 SMZKBAODSMESBE-ARLMHJPKSA-N 428.617 5.131 0 40 IKAB biogenic Cc1ccccc1NC(=O)Cc1nc(COC(=O)C2CCC(C(C)(C)C)CC2)cs1 8036310 KIWJWEZGTHQHQB-UHFFFAOYSA-N 428.598 5.528 0 40 IKAB COc1ccc([C@H]2NC(=O)c3sc4nc5c(c(-c6ccccc6)c4c3N2)CCC5)cc1 8386906 RZZKGSRCGOHNOK-HSZRJFAPSA-N 427.529 5.315 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2c(C(=O)Nc3cccc(F)c3)oc3ccccc23)cc1 8603886 RYHTWWHVYMORFH-UHFFFAOYSA-N 432.451 5.864 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)Nc2ccccc21 8756926 SDFAEURXUUJSEE-UHFFFAOYSA-N 429.973 5.553 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 8915801 HWYDTOBBZGHFRJ-QGZVFWFLSA-N 449.913 5.406 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1 8987322 AYBYRTOJDOGWIN-QGZVFWFLSA-N 443.528 5.086 0 40 IKAB Cc1cccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)c1 9404434 GNZKHSWSFYAPLB-UHFFFAOYSA-N 427.529 5.972 0 40 IKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1 9404439 SLLUWNGWMRMWSD-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 9425832 XSQNPJUHEDQFGD-SANMLTNESA-N 447.490 5.167 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c1 9443619 LGNPGPZJKOIAOT-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cccc(Oc2ccccc2)c1 9543714 MOMWDLSXEFCFAC-UHFFFAOYSA-N 427.887 6.616 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 9581758 UDDKLQIGIKZTMV-UHFFFAOYSA-N 425.897 5.089 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)N(C)Cc3cc(Br)ccc3OC)ccc2c1 9590773 ZCWCVDSEVLJDGQ-HNNXBMFYSA-N 442.353 5.382 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c1C 9618834 AQMZIDWDPCDMGI-JTQLQIEISA-N 429.567 5.045 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 9814733 WEPDPYICRHFTOZ-UHFFFAOYSA-N 426.592 5.766 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 9851392 DPNRDZUOWHRDKI-XMMPIXPASA-N 438.499 5.034 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10333904 PRIOKYNEUFJMDB-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB O=C(CSc1ccc(-c2ccc(Br)cc2)nn1)Nc1cccc(Cl)c1 12140484 KUFABHKMGPPXPI-UHFFFAOYSA-N 434.746 5.290 0 40 IKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCC[C@H]2c2ccncc2)cc1 12554858 NANBBTHFZWAUID-VWLOTQADSA-N 443.522 5.674 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cc(F)ccc1Br 12815759 BVKXXUKPIYRZLE-UHFFFAOYSA-N 443.320 5.216 0 40 IKAB COC(=O)c1ccc(CN(C)Cn2nc(Nc3cccc(Cl)c3C)sc2=S)cc1 13017885 FPMHHPDORWREMV-UHFFFAOYSA-N 449.001 5.256 0 40 IKAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(F)c(Cl)c1 13117188 XXXXDFWPDBMACI-UHFFFAOYSA-N 446.718 5.299 0 40 IKAB O=Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 13139393 NBOBGBQOWWSZBX-SANMLTNESA-N 434.495 5.409 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 13498283 NYMIPFOKKBEWSQ-XMMPIXPASA-N 436.577 5.021 0 40 IKAB Cc1cc2c3c(c1)[C@@]1(NC(=O)c4ccccc4N1)C(=O)N3C1(CCCCCC1)CC2(C)C 14162473 YENBZWPEFDLKBM-HHHXNRCGSA-N 429.564 5.124 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 14271339 UQGYCJQOLSMPBX-UHFFFAOYSA-N 443.616 5.568 0 40 IKAB COc1ccc(NC(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1OC 15133528 XVKZNMUQRBAYFU-UHFFFAOYSA-N 438.527 5.817 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-n2cccc2)cc1Cl 15881942 OCCIATFWSHTPDE-UHFFFAOYSA-N 429.977 5.131 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1OC 16227432 YHXRJFDGAJTZSL-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB CC(C)(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)Nc4cccc(Cl)c4)nc3C2)cc1 16323189 GXYRYGOGALPOLP-MRXNPFEDSA-N 448.954 5.984 0 40 IKAB CN(CCCNC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl 19074961 ISTBPXSCUWBGNY-UHFFFAOYSA-N 434.150 5.192 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20035598 FDRRCIFGIGEJDQ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3cc(C)c(Cl)c(C)c3)sc2c1 20411537 FKYVJWJYNQZZMQ-UHFFFAOYSA-N 446.956 5.541 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(Cc2ccc(F)cc2Cl)c1C 20541168 LWHYOVRYVQIYKI-UHFFFAOYSA-N 437.302 5.647 0 40 IKAB CCc1ccccc1-n1c(SCc2cc(F)cc3c2OCOC3)nc2ccccc2c1=O 25811959 HTWQMHJIPRJVSU-UHFFFAOYSA-N 448.519 5.246 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1CSc1nc2ccccc2o1 32883835 CQBGIHVLLZPOAV-UHFFFAOYSA-N 443.528 5.721 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccccc1N1CCc2sccc2C1 32915676 CKUZGNIWDDVBAY-UHFFFAOYSA-N 429.545 5.455 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccn2)n1Cc1ccccc1 35312283 RSPGODJWPJDMIQ-UHFFFAOYSA-N 449.967 5.081 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 35684720 NHMXYICNQXGXKW-KRWDZBQOSA-N 431.279 5.037 0 40 IKAB COc1ccc(-c2cc(C(=O)NCc3cc4c(s3)CCCC4)c3c(C)noc3n2)cc1 36613706 XKJACTPBAAJDPJ-UHFFFAOYSA-N 433.533 5.077 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1cccc(Cl)c1 59418220 GHGIAKHCCVQOCE-CIAFOILYSA-N 439.895 6.299 0 40 IKAB COc1cccc(-c2nc3c(s2)CN(Cc2cccc(OCc4ccccn4)c2)CC3)c1 72392031 GVZWVIDNJMCLEJ-UHFFFAOYSA-N 443.572 5.351 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 96008129 GTUDRRUNOQEARX-OAQYLSRUSA-N 444.453 5.202 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1 100657902 NJEIVKWBMVYMBA-BGYRXZFFSA-N 434.605 5.284 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)c(OC)c1OC 102723019 UJNMUVXRJCPGME-KSFYIVLOSA-N 446.503 5.617 0 40 IKAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccco1 103242949 UERTURUPPNSLDO-KCITZHQASA-N 447.564 5.878 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1OC 104158630 RARIFBVFOAQOEU-PIIWDFAUSA-N 440.543 6.641 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN12 105833424 XGQUTMJLDSGZSQ-OFNKIYASSA-N 435.321 5.700 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106737182 KYRPKHGJJZMBEY-UKWGHVSLSA-N 445.924 5.484 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223028742 JHZHRJBESFSLFY-VQTJNVASSA-N 448.375 5.267 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223313416 GZWWVYHFKLZATA-NRFANRHFSA-N 449.422 5.566 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC)cc1 224265819 NOJIUPQVRSVZPZ-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224280000 IDNWRGDQONTOSH-UHFFFAOYSA-N 447.531 5.628 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 224556831 MICZIHSRDKYEEO-QHCPKHFHSA-N 426.626 5.057 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224657614 SYWNUZNKEAFKPM-RPWUZVMVSA-N 427.529 5.952 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)c(OC)c1 224935041 AESWQPZFQKXYHX-UHFFFAOYSA-N 442.471 5.481 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)s1 225361289 SOOCCGSCNSTGER-GOTSBHOMSA-N 435.618 5.950 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225574247 MJLQSNUJOHTWRB-WIOPSUGQSA-N 438.612 5.185 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 225876516 TWCUPSNSXDWKQX-UHFFFAOYSA-N 438.955 5.610 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]12 253612449 QGGRDHGCNNAWIE-SUHOCENSSA-N 444.700 7.218 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257246064 ISHBYYOHUGRHOS-OAQYLSRUSA-N 444.560 5.460 0 40 IKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Br)cc1 408532433 YEEICCVTNYTJAD-UHFFFAOYSA-N 447.288 5.918 0 40 IKAB CCOc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408572631 HMBJSGNVEHHTSA-QGZVFWFLSA-N 440.392 5.415 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 408643350 AKLLPXJESOJCKV-SECBINFHSA-N 437.106 5.249 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)C1=O 409106801 MVEKUDKOCQRXTH-LICLKQGHSA-N 438.332 5.637 0 40 IKAB CCCc1sc2nc(SCc3cccc(C)c3)n(-c3cccc(C)c3)c(=O)c2c1C 409121633 XGFQTKAGXNTWLQ-UHFFFAOYSA-N 434.630 6.617 0 40 IKAB CCCN1C(=O)S[C@H](Cc2ccccc2OCc2ccc(Br)cc2)C1=O 409149613 LCLQXQPPTBFDPG-GOSISDBHSA-N 434.355 5.045 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)c(C)c1 409235263 ZGUNGLMXVFPSGR-UHFFFAOYSA-N 431.001 5.382 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C2CCCCC2)c(C)c1 409367258 OPUZXFARJYNUPJ-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 409383970 RXXPUIJHIYWHPJ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1cc(F)cc(F)c1 585266664 KDENFMRXMNSTKQ-OAQYLSRUSA-N 443.881 5.233 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)c(OC)c1 797637 CDCNAKWYNBPQQX-MHZLTWQESA-N 439.596 5.360 0 40 IKAB biogenic COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(C)cc23)c1 993086 WUCXRSNBWVFJPX-UHFFFAOYSA-N 439.511 5.875 0 40 IKAB O=C1N[C@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 1017336 OGKSHIRFSHCNRY-QGZVFWFLSA-N 431.464 5.898 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 1254971 IIQUPFUDMGJWFL-HXUWFJFHSA-N 428.319 5.638 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccc(Cl)cc1 1380112 SDNWTCAAWVRIDM-JOCHJYFZSA-N 440.902 5.519 0 40 IKAB Cc1c(Cl)cccc1NC[C@@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1774330 WPSYVZVZMWBRSZ-MRXNPFEDSA-N 433.766 6.536 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1ccccc1OC 1782471 BUOQLIJQDQKZRC-JLHYYAGUSA-N 425.481 5.391 0 40 IKAB O=C(Nc1ccc(/C=C/c2ccccc2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 1889722 BZKPANGWTSPLCB-VOTSOKGWSA-N 434.322 7.676 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 2234403 XMXBWQIQUBPSMO-ABAIWWIYSA-N 446.400 6.281 0 40 IKAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2cc(C)ccc2C)cc1O 2238368 LZSFIOJTLCEJLW-UHFFFAOYSA-N 427.504 5.303 0 40 IKAB biogenic COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 2238892 ACPMWNORQYWXKQ-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nc3ccccc3c2=O)cc1 2259486 AQXHIRNPHFJTQT-UHFFFAOYSA-N 449.963 5.387 0 40 IKAB CC(C)Cc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2272465 RCENWKCKJYXGTH-UHFFFAOYSA-N 432.593 5.901 0 40 IKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)COc1ccccc1C)c1ccccc12 2288014 MJOUHMFKIMXWRP-UHFFFAOYSA-N 431.488 5.109 0 40 IKAB CCCCOc1ccc(C(=O)O[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2617027 HIVMXZJDTSXZHO-SANMLTNESA-N 427.500 6.128 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)cc1 2750151 OIBRUSPKJPFLSO-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB Cc1ccc(-c2cc(NS(=O)(=O)c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 3284899 MZASERXIYYPCIZ-UHFFFAOYSA-N 439.540 5.802 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(OC)cc1OC 3305546 GACMNIXCZVUAMK-UHFFFAOYSA-N 445.924 5.515 0 40 IKAB C[C@H](NCc1cccc(OCc2c(Cl)cccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 8856020 YNINFXOIXJQORQ-MPVQEXEOSA-N 444.446 7.267 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 9066033 ZTXVXQYFQRBAAP-GOTSBHOMSA-N 430.870 5.283 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1OC 9303619 WWRJNWKACOOMPF-HYBUGGRVSA-N 438.886 5.739 0 40 IKAB Cc1ccc(NC(=O)C2=C(c3ccccc3)N=C(S)N[C@H]2c2ccc(Cl)cc2)cc1 9304816 IFSNGKSBDRHXMG-QFIPXVFZSA-N 433.964 5.629 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@H]1c1cccs1 9461267 RHRLVSWJRHZUNP-RTWAWAEBSA-N 448.548 5.761 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2nc(-c3ccccc3)oc2C)c2ccccc2)c1 9465794 OBIIVZSVNGCZGX-XMMPIXPASA-N 440.499 5.804 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)C34CC5CC(CC(C5)C3)C4)n2Cc2ccco2)c1 9467293 HZMDZXHJPSMSLU-UHFFFAOYSA-N 447.604 5.772 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9615869 PXJKNSWYXOPTDC-QHCPKHFHSA-N 428.561 5.665 0 40 IKAB COc1cccc2c1OC1=C(C2)C(=S)N[C@H](c2ccc(Cl)cc2)N1c1cccc(C)c1 9673598 HTNLQUSNJOYMFJ-QHCPKHFHSA-N 448.975 5.940 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2Cc2ccco2)c1 10022085 VXKXOBZVHUHHEF-UHFFFAOYSA-N 444.560 5.114 0 40 IKAB CN(Cc1ccsc1)C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 12547360 ISMNYEULNYOJLW-UHFFFAOYSA-N 431.633 5.679 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)c(F)c1)c1c(c3ccccc3oc1=O)N2 12561729 XBDODGGADIVWOW-QFIPXVFZSA-N 441.437 5.803 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 12630747 FHPDPEHHEUNAFU-SANMLTNESA-N 430.573 5.372 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 12660763 LZCWWOSAFSUJDG-CALCHBBNSA-N 441.000 5.469 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(-c2cccs2)[nH]1 12679775 NOTPIBBUHNAHKM-UHFFFAOYSA-N 444.969 5.197 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 12847274 KBBWNUBRZHPWHK-MSOLQXFVSA-N 434.849 5.758 0 40 IKAB Cc1c(CC(=O)Nc2ccc(CCO)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 12888074 NSTKGVLZPKINCG-UHFFFAOYSA-N 447.531 5.170 0 40 IKAB biogenic COc1ccccc1C(=O)Nc1c(-c2cc(=O)oc3c(C)cc(C)cc23)oc2ccccc12 12895849 UXWLKEHCJMVJJF-UHFFFAOYSA-N 439.467 6.084 0 40 IKAB biogenic CN(C(=O)c1ccc(Br)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 13510034 XFPNOMPHKVZZFO-UHFFFAOYSA-N 430.371 5.542 0 40 IKAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@@H](C)c2ccccc2)C4)cc1OC 13730374 PPUAZMNIWYNNGW-KRWDZBQOSA-N 443.499 5.390 0 40 IKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13957798 JYQBPUXBYACHBD-UHFFFAOYSA-N 426.825 6.826 0 40 IKAB Cc1cc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)no1 14085125 ZSYMJQABGMBXAY-UHFFFAOYSA-N 431.348 5.889 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14122122 FLVNXSRADDLGJB-UHFFFAOYSA-N 444.693 5.085 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)c1 15729393 PRWJTIYAXGLIRJ-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 15947471 WDINJFCEZYIXJT-OVWNDWIMSA-N 433.360 6.869 0 40 IKAB COc1ccc(C(=O)Oc2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)cc2)cc1 15947856 VAJRHDYJZWCOPC-JLCFBVMHSA-N 448.544 5.530 0 40 IKAB CCOc1cccc(-c2cc(C(=O)NCc3ccccn3)c3ccc(Cl)c(C)c3n2)c1 16392559 GWFWQTVNYOKBML-UHFFFAOYSA-N 431.923 5.587 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 17099428 AYOQOORFUPBYHD-UHFFFAOYSA-N 435.332 5.779 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C)c(C)c2)cc1 19946999 KHUJWJMZZQYBIT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB COc1cnc(-c2ccccc2)nc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 20219226 DDIHTMPMOGSSHI-UHFFFAOYSA-N 436.559 5.064 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 20411348 FVADCOVFBUMITO-UHFFFAOYSA-N 433.508 5.884 0 40 IKAB COc1ccc(-c2cn3c(CC(=O)N4c5ccc(F)cc5CC[C@@H]4C)csc3n2)cc1 20555533 UTSFRYJXQZJNFR-HNNXBMFYSA-N 435.524 5.121 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1Cl 20765694 SVZSPKFMBYVMKU-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB C[C@H](NC(=O)c1ccccc1SCC(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 24831747 SOPNYRCAQKIBDP-SFHVURJKSA-N 430.573 5.215 0 40 IKAB CC[C@@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc2c1 26772128 FRDOVDLKLQQWCJ-WYRIXSBYSA-N 436.291 5.171 0 40 IKAB biogenic Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 28358754 BNDYDAHFYYJOOX-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3ccc(OCC)c(Br)c3)sc2c1 32118755 IFDXQMGMQMHGRP-UHFFFAOYSA-N 433.371 6.052 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(C)c1 32125269 KQWZQSHRFYWWNM-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB CSc1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 32944964 AEKOOTGQRBEHQT-AWEZNQCLSA-N 441.525 5.751 0 40 IKAB N=C1NC(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(Br)c2)S1 33411693 GJKUYVHMIIIMBU-YBFXNURJSA-N 439.334 5.320 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 33581038 NCULKBITEPIIBY-UZLBHIALSA-N 432.948 5.086 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 33652883 QGVSRQLSOAPFSG-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C(O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2)c(Br)c1 34894918 XQDUQGYWWOMTDY-ZZXKWVIFSA-N 430.067 5.028 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1)c1ccc(Br)cc1 35264148 MYCCAFXUZMTDRY-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3F)C23CCCCC3)n1 36354843 SMXHVGFMSUGDBD-NRFANRHFSA-N 449.551 5.676 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c1 48310220 WVQVJMFIAGJKPU-UHFFFAOYSA-N 425.916 5.064 0 40 IKAB COc1ccccc1Cn1ncc2c1CCC[C@H]2NC(=O)c1ccc(-c2ccccc2)cc1 57761845 YJIVWYZWOWSBFA-RUZDIDTESA-N 437.543 5.414 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 59589161 HMMVBUVVQLUGQA-WMQINEEOSA-N 428.701 7.492 0 40 IKAB endogenous,in-man CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N[C@@H](C)CC)cc1 71328084 VBBHINDJJVZNCX-SFHVURJKSA-N 429.630 5.375 0 40 IKAB Cc1cc2nc(-c3cccc4c(Br)cccc34)oc2c(Br)c1C 73639162 QOPSTSMXZXUGHL-UHFFFAOYSA-N 431.127 6.790 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OCC)cc32)cc1 96837285 HMRKQMJXEZRUFK-UHFFFAOYSA-N 427.548 6.007 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216252078 AZKVLQYEZDCIEW-QHCPKHFHSA-N 425.981 6.737 0 40 IKAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219119352 YCMCZPYFWUEFGX-CVDCTZTESA-N 444.641 5.023 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 222777312 LFWCEOJSSDIHCU-NSHDSACASA-N 448.177 5.006 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222894265 OZPLLYUCIJVSPY-VQTJNVASSA-N 432.376 6.031 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223135289 HNCUZWPLZHJGPH-OAQYLSRUSA-N 447.044 5.295 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 223266208 CPMARGUNZRGGSJ-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 223979467 XLZCMUOYTKWGBG-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224171646 HXQUBIPHMCUWAZ-UHFFFAOYSA-N 440.540 5.028 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 224197629 CLGVMIWXJPAORY-QHCPKHFHSA-N 444.978 5.196 0 40 IKAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224503405 ROZMRAFRQUTLBF-VQTJNVASSA-N 441.398 5.404 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C(C)C 224565587 OOMWTULEBYZQHR-UHFFFAOYSA-N 437.967 7.002 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 224976558 FNIWCDKNIPAILO-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB O=C(CCc1nc(-c2ccccc2Cl)no1)N(Cc1ccccc1)Cc1ccccc1 225811232 NYCNBWRZUAPUAB-UHFFFAOYSA-N 431.923 5.552 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 227145747 VXWBQFYRNWGFPJ-VQHVLOKHSA-N 431.717 5.905 0 40 IKAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC 257256184 KKJXVBBERAYFOC-XMMPIXPASA-N 448.538 5.510 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1cc2cc(Br)ccc2o1 408708453 QHONTAIXCSHMJV-UHFFFAOYSA-N 429.495 5.864 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1C 409112470 GKGHWGJSWZAFAY-UHFFFAOYSA-N 440.337 5.955 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409115626 KEUHGIIIAVRUNC-PWXYAVEVSA-N 428.963 6.889 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)cc1 409120359 VOBVPIFKPVWERM-UHFFFAOYSA-N 429.919 6.468 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409236763 HBXDSBQCWHNXNA-LICLKQGHSA-N 440.323 6.158 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(OCc2ccc(Cl)cc2)c1 409379612 YLVCUMBHCXBQLS-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cc4cc(C(F)(F)F)ccc4s3)cc2)CC1 2037850000 GDDHZFHOFUIOAG-UHFFFAOYSA-N 433.499 5.314 0 40 IKAB Clc1ccc(OCOc2ccc(Cl)c(Br)c2)cc1Br 2362803846 SHHFOVLBMCVDJC-UHFFFAOYSA-N 426.919 5.934 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 641118 YNYDFZSLSOJHAO-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 673862 QGXLRPBMOJPXQK-YPMHNXCESA-N 432.899 5.321 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 682101 SBMJFMRMLCJWIZ-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccccc2)cc1 714712 WKFAPQBFJWMKLW-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCc1ccc(NC(=O)c2cnn3c2N[C@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 884024 BNAOLJOYKDZGIQ-VQTJNVASSA-N 444.457 5.367 0 40 IKAB O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 1240312 NQOFAJOEIOWIAU-GOSISDBHSA-N 429.701 5.687 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)cc12 1371678 YHUWJEQIYQVOTH-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB Cc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccc(Cl)cc4)c(C)c(C)cc32)c1 1388558 FVBRMFMJFIDINY-UHFFFAOYSA-N 439.968 5.464 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2cc(Br)c(OCC=C(C)C)cc12 2106849 ZIIOUMIVSGXABO-UHFFFAOYSA-N 429.310 6.384 0 40 IKAB biogenic Cc1cc(Cl)ccc1OCC(=O)Oc1c(C)cc(Br)cc1Br 2134619 VVFVASNIMLWFAN-UHFFFAOYSA-N 448.538 5.466 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2O)n1 2206128 CMRDAROLMITUHS-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)sc21 2418668 IZRYGPIVRPHQQR-UHFFFAOYSA-N 429.589 5.799 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 2449409 HXPSFRMVYDJMTP-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 2660742 AZYJTCGJZKIAOQ-XMMPIXPASA-N 442.588 5.724 0 40 IKAB Cc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(F)c(Cl)c3)s2)cc1 2679417 HMYGJRMRLDOZIJ-UHFFFAOYSA-N 437.927 6.907 0 40 IKAB Cc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(Cl)cc1 2688719 MTRLJDCDAHGCMN-UHFFFAOYSA-N 427.891 5.942 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@@H](CC)C2 2708296 OLOYXLKTUCQNTB-SAAWKEMMSA-N 443.565 5.109 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 2740007 SORRSKZGPKQMHE-HAHDFKILSA-N 427.500 5.626 0 40 IKAB Cc1ccc(NC(=O)COC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)cc1 3246490 IQYIQZZXMSFRKI-IBGZPJMESA-N 442.865 5.286 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1cccc2ccccc12)c1ccccc1 3283166 DDXMKNOPFYDXSY-RUZDIDTESA-N 425.484 5.694 0 40 IKAB Cc1sc2ncnc(Sc3nc4ccccc4c(=O)n3Cc3ccccc3)c2c1C 3441809 RGMGFLSCQFJJRT-UHFFFAOYSA-N 430.558 5.218 0 40 IKAB Cc1cccc(-n2nnnc2SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1 3442558 BXHOGMWTCASSDX-UHFFFAOYSA-N 425.517 5.094 0 40 IKAB CCCCCC1CCC(c2nnc(SCCN3C(=O)c4ccccc4C3=O)o2)CC1 4036523 XKHWLONMNLSZSD-UHFFFAOYSA-N 427.570 5.312 0 40 IKAB CCCCc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 6161548 VBZUDHUTABOMKP-UHFFFAOYSA-N 448.419 6.434 0 40 IKAB Cc1cccc(C)c1OCCn1c(CCCNC(=O)C2CCCCC2)nc2ccccc21 6752585 MDGGGAAGEFMNMW-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1-c1ccccc1 6878458 FLOPTJGCEQXXCU-UHFFFAOYSA-N 428.561 5.287 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCO2 8685413 NUFTXTCIBPSPJF-UHFFFAOYSA-N 429.501 5.203 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1Cc1ccccc1 8753370 NZEXWUPKCCWVNF-HSZRJFAPSA-N 439.559 5.412 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(OCc5ccccc5)cc4)ccc3o2)c1 8832086 ASCPHSCZNYJRIG-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 8871522 WQDMPCPXCUPVQP-IBGZPJMESA-N 445.950 5.657 0 40 IKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)CCCOc1ccc(Cl)cc1Cl)CC2 8994500 JIYRBCZUNPHCQJ-CQSZACIVSA-N 438.351 5.316 0 40 IKAB COc1ccc2[nH]c(=O)c(-c3nc4ccc(Cl)cn4c3Nc3cc(C)cc(C)c3)cc2c1 9210836 RXTUMXPDECYPHE-UHFFFAOYSA-N 444.922 5.865 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccccc2Cl)cc1 9273010 UWHWIQJBQFVXDZ-UHFFFAOYSA-N 447.966 6.319 0 40 IKAB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(F)cc4)c3c2c1 9676089 CSOLBMBWELRJJY-UHFFFAOYSA-N 432.296 6.451 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C[C@@H]1C 10153185 SJJGTAKHHUYIRA-NBGIEHNGSA-N 448.588 5.404 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C)cc4C)cc3C[C@@H]2C)cc1 10326568 AENXCNBLGSIZRH-IBGZPJMESA-N 434.561 5.004 0 40 IKAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 10588518 JVTNHYCXSQFEJT-UHFFFAOYSA-N 428.513 5.231 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 10730273 RUDBGMAXIUFSMF-INIZCTEOSA-N 449.967 5.410 0 40 IKAB Cn1cc(OCc2ccc(F)cc2)c(=O)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 12166889 RNSCRNVCAPRYRK-UHFFFAOYSA-N 444.462 5.148 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1OC 12371247 JNOOFDPCFXLRJZ-ZLNRFVROSA-N 445.317 6.066 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(Cl)ccc3Sc3ccccc3)o2)cc1 12549207 TUVHCQIWCLPKCC-UHFFFAOYSA-N 447.943 7.206 0 40 IKAB COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OCc1ccccc1 12578590 UUJMCAXBVHAQBA-MHZLTWQESA-N 433.511 6.263 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)c3occc3Br)C3CCCCC3)n2)cc1 12655141 RYJICIRBLDTDEQ-UHFFFAOYSA-N 444.329 5.376 0 40 IKAB COc1cc(/C=C/C(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)ccc1OCC(C)C 12760534 JVJMBRDJTZUFQB-GXDHUFHOSA-N 433.552 5.493 0 40 IKAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1ccc2c(c1)OCCCO2 12899402 NQJLBNXDWAEGHB-UHFFFAOYSA-N 434.439 5.166 0 40 IKAB Cc1ccc(OCCCn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 13030888 DVJAUMKTXLSHNE-QHCPKHFHSA-N 426.604 7.164 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc21 13942473 VDXSXCLKNDTBPO-HRFSGMKKSA-N 440.518 5.709 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 14154788 MVFLYUOESPBSBQ-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(F)cc4)cc3n2)c(C)c1 16678412 HBXYLCDAVIKDTE-UHFFFAOYSA-N 431.515 5.275 0 40 IKAB COc1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 16841939 WCSCBQPOXQVFGE-GFCCVEGCSA-N 433.327 5.232 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 17095821 ZYZSLOBFYMOLJN-QGZVFWFLSA-N 428.488 5.018 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 17099278 RTXBBGIMLATZCO-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 19294084 XTZUSYHIEFYTNG-NRFANRHFSA-N 440.526 5.196 0 40 IKAB COC(C)(C)C(=O)N1CCC(c2cc(Cc3cccc(C(F)(F)F)c3)cc(C)n2)CC1 19691708 KGHCVXHNBHHPDQ-UHFFFAOYSA-N 434.502 5.131 0 40 IKAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3ccc(Cn4ccnc4C)cc3)cc2)C1 19711838 YAXSEKKLADYBMW-FTJBHMTQSA-N 446.595 5.054 0 40 IKAB Brc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 19893737 JVBXJTQXWYXJBP-AUSIDOKSSA-N 449.304 5.420 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 20411956 HNPWOCPRCZHJGD-UHFFFAOYSA-N 446.503 5.943 0 40 IKAB CCOc1cc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)ccc1O 20797299 OKTRASHWAPXKDK-DEOSSOPVSA-N 440.503 5.068 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 20862333 OCIQXNJIFYAXMZ-GOSISDBHSA-N 443.576 5.070 0 40 IKAB O=C(c1ccc2ncsc2c1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 22089784 GWXXJZCDPNFFBU-UHFFFAOYSA-N 449.526 5.122 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 22527975 YXKTVOPHERTITQ-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(CN4CCCC4)n3Cc3ccccc3)co2)cc1 24912915 IXIZAXYREWLSGJ-UHFFFAOYSA-N 445.592 5.178 0 40 IKAB COc1ccccc1/C=C(/C(=O)OCc1csc(-c2ccccc2)n1)c1ccccc1 25393775 ZDLCDVUOKVOSOG-XQNSMLJCSA-N 427.525 6.103 0 40 IKAB CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccccc1F 33560997 UPHJLVLNVWECGI-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 34956338 YNUUQPZWRDEVNW-CQSZACIVSA-N 441.394 6.243 0 40 IKAB COc1ccc(Cn2cnc3c4ccccc4n(Cc4c(F)cccc4Cl)c3c2=O)cc1 35400202 MDKXLIBHOWLALL-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB COc1cccc(Cn2cnc3c4ccccc4n(Cc4c(F)cccc4Cl)c3c2=O)c1 35400273 MNBTVXOVVOUUBV-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 57061451 XGYTWGZBVRWFDM-QKSFETHESA-N 433.954 6.754 0 40 IKAB Cc1ccccc1NC(=O)Cn1cccc1-c1nc(-c2ccc(OC(F)(F)F)cc2)no1 57486947 YWLCZQOUSAOYIQ-UHFFFAOYSA-N 442.397 5.051 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCc4ccccn4)sc3c2)cc1 59417561 MWGWIYVWVFOFSB-UHFFFAOYSA-N 433.602 6.533 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1ccc(C(C)(C)C)cc1 62715807 NLPWPSYOOUOQQC-LZYBPNLTSA-N 431.532 5.929 0 40 IKAB CC(C)Oc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 67245368 GJCQUTMVJQEKQP-UHFFFAOYSA-N 441.462 5.634 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1)CC(=O)O3 72404467 OUITXBPQJQRTKX-GOIQZJDBSA-N 448.515 5.315 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2CCC(=O)N2CCCOC(C)C)c1 85430407 NNTCIKPGDXBZCR-QFIPXVFZSA-N 436.552 5.331 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1F 96037779 YAZSATDHCLNFBL-UHFFFAOYSA-N 427.483 5.117 0 40 IKAB Cc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4ccco4)C3=C(O)C2)cc1 101380641 VJPJZXLIGRIPPM-DCFHFQCYSA-N 438.527 6.548 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)cc1 106702614 ISFSAGSIEVCYSU-STZFKDTASA-N 437.605 6.532 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 113965478 BUTJYBPEABFLPU-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB COC(=O)CC[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=C[C@@]21C 118924586 SWHWAFFISKDSIL-JGHQURMISA-N 430.629 5.942 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 223492838 ICJJYYMFDYPCQE-DNQXCXABSA-N 431.609 5.183 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 223815848 FNFNTTDIRCQROR-QHCPKHFHSA-N 444.616 5.173 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223830970 BGPSQWYVJCVEPR-GOSISDBHSA-N 445.028 5.217 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224047122 UNXBMVNCTQMQJS-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB CCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224066137 XBVBGYHGKCDUSB-UHFFFAOYSA-N 449.359 5.609 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(C)c3)c2)cc1 224137613 BMRGWWVHKIMVFI-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(C)C 224231609 VJMKYEZZQDKKNH-UHFFFAOYSA-N 433.504 5.421 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1c1ccc(Cl)cc1 224454379 FEIWOXZQIVOFNI-FCHUYYIVSA-N 431.952 5.098 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(C)cc1 224467303 RWHNBSRPKUPSMV-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)cc1Cl 224525120 UKYROSSTSFFUQM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 224553536 APDXCCRBRHVRIO-UHFFFAOYSA-N 444.940 5.182 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 224615466 XFPVHSVJPFHGIK-SFHVURJKSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 224877688 LDDFUGMTXZNWJP-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225459746 XKXVTVJQVSIILZ-XMSQKQJNSA-N 447.044 5.295 0 40 IKAB COc1ccc(Cl)cc1C(=O)Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1 408528532 IZOTXDCJFGCAQB-UHFFFAOYSA-N 432.863 5.817 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(Br)cc3)sc2n1 408620866 MOPUYHFVKAGAAE-UHFFFAOYSA-N 449.399 5.028 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)c1 408641308 JWEUSLVQCJGWLK-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 408647727 XICUZMSJTDYWRL-IBGZPJMESA-N 430.504 5.178 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679970 XHYRXULYRXQSAU-UHFFFAOYSA-N 426.369 5.586 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)c1 408696474 ADUAUMIRMILBSR-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1CC1CCCCC1 409135545 ZBZZWFFHDXFLGC-YBFXNURJSA-N 436.360 6.870 0 40 IKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1ccc(Br)cc1 409166940 HOEJFXAPROFGHO-UHFFFAOYSA-N 446.410 5.790 0 40 IKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409182289 JSZHQLOKAMGECU-UHFFFAOYSA-N 427.613 7.038 0 40 IKAB CCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409244547 FHSFMYRNGUJNOZ-KEBDBYFISA-N 445.371 6.443 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2CC)cc1 409328524 WZJMVNGZQYPFLU-UHFFFAOYSA-N 438.597 5.294 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 504294255 RJJBNZOLYQZPJQ-GBMOJBKZSA-N 429.541 5.825 0 40 IKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c(OCC(=O)O)c1 585264857 RDLXIWRRQFARMS-UHFFFAOYSA-N 448.906 5.391 0 40 IKAB CC(C)c1ccc(CCc2nc(N3CCC[C@@H]3Cc3ccccc3)ncc2C(=O)O)cc1 585268695 BYFRDTYWZPUOMG-HSZRJFAPSA-N 429.564 5.295 0 40 IKAB Cc1ccc(CN2CCC[C@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)c(Cl)n1 585295153 NEVRJSAYXKLAMY-SFHVURJKSA-N 447.391 5.743 0 40 IKAB Cc1c(-c2nn3c(-c4ccc(C(F)(F)F)cc4)nnc3s2)cnn1-c1ccccc1 632910 BPGOUOIQOIEPJT-UHFFFAOYSA-N 426.427 5.033 0 40 IKAB COc1ccc([C@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC 720738 XZJATTBGOKZMLP-FCHUYYIVSA-N 427.859 5.032 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 830157 QETCNKZVXMYMJH-UHFFFAOYSA-N 428.879 5.488 0 40 IKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 1224252 IORWNSDSOBOQTL-HXUWFJFHSA-N 441.600 5.474 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1327155 BPYQXACXKHGOBG-UHFFFAOYSA-N 445.950 5.978 0 40 IKAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cc2cc(C)ccc2nc1Cl 1367665 CBBWXOZVAUCLAM-UHFFFAOYSA-N 426.944 5.195 0 40 IKAB COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(=O)c1ccco1 1367757 LEZDHUMQYPPYTH-UHFFFAOYSA-N 434.923 5.949 0 40 IKAB COc1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 2129306 MNEWCLXTTXZGNC-UHFFFAOYSA-N 435.527 5.754 0 40 IKAB biogenic CCn1c(SCc2ccc(C)cc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2307892 XIAKOVFEHIZPFD-UHFFFAOYSA-N 444.644 6.597 0 40 IKAB CC[C@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(CCc3ccccc3)c(=O)c21 2392152 ZLJRUXPGTDLMAP-MUUNZHRXSA-N 446.660 6.515 0 40 IKAB CC(C)Oc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 2447174 KNPCFZQMRZUWSB-NDEPHWFRSA-N 435.583 6.712 0 40 IKAB CC(C)CSc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Br)cc1 2461117 DHWXHJIQYNHOCT-UHFFFAOYSA-N 442.356 5.278 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)NCCC3=CCCCC3)n2C(C)C)cc1 2622715 XXHOHKUONROYQM-QGZVFWFLSA-N 428.602 5.022 0 40 IKAB C[C@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2634608 NWBRMVHIQCNKKB-HNNXBMFYSA-N 429.394 5.682 0 40 IKAB O=C(Nc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 2684522 BCIFSLXQDUALFS-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 2889732 KIODMAUQXRIYJX-UHFFFAOYSA-N 441.552 6.738 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(F)cc4)ncnc32)cc1Cl 2974956 CIHIMQVFNYIURQ-UHFFFAOYSA-N 442.925 6.801 0 40 IKAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Cl)cc1C(F)(F)F 3229069 SAKRJLLDWBTQCS-UHFFFAOYSA-N 442.875 5.347 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2cccc(Br)c2)cc1 3359650 AGIVQFWWJHXYRS-UHFFFAOYSA-N 439.353 6.013 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1NS(=O)(=O)c1cccs1 6147118 VTQJCLGKBUKQCU-UHFFFAOYSA-N 442.349 5.500 0 40 IKAB CC[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 6197449 NEKIJDOCELLVQH-HHHXNRCGSA-N 430.617 6.513 0 40 IKAB O=C1[C@@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 8385781 QRYJUSMKRBSNCZ-GKRYNVPLSA-N 449.575 6.613 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccnc4)c(C)c3cc2c1-c1ccccc1 8792529 FVVNLAFIXJCREV-UHFFFAOYSA-N 438.483 5.789 0 40 IKAB biogenic Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828293 GQKFENQCMSOLDE-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB O=C(c1cccc2c(Cl)cccc12)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 8831781 DPTSQINLHSKYIO-UHFFFAOYSA-N 440.799 5.151 0 40 IKAB Cc1ccc(C)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 8852533 ODVICKBTIOCTBY-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2ccccc2c1 8921991 JTCQJDQMFBKFGY-MHZLTWQESA-N 441.914 5.501 0 40 IKAB CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1cccc(OC)c1 9059879 ZERWCXMSXBCICF-UHFFFAOYSA-N 446.551 5.336 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1Cl 9293259 IZYMSRNDGIYNOA-YADHBBJMSA-N 448.313 5.193 0 40 IKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(Oc2ccccc2)cc1 9404555 FDEPCTGQBOQDQU-UHFFFAOYSA-N 429.526 6.464 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 9496691 WAERNMHOLFRCIF-HNNXBMFYSA-N 438.940 5.359 0 40 IKAB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 9508586 LVQWVZKQRXMQPZ-AWEZNQCLSA-N 426.567 5.166 0 40 IKAB C[C@@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1ccc2ccccc2c1 9630368 MBQLZJRULNECBO-GOSISDBHSA-N 447.494 5.634 0 40 IKAB Cc1ccc(-n2ccnc2SCc2csc(CC(=O)Nc3ccccc3C)n2)c(C)c1 9868864 ZTFHZJHSMYHGGM-UHFFFAOYSA-N 448.617 5.728 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1cccc(OC(C)C)c1)N(c1nccs1)C3=O 10233177 HKQRZIZWNSWIDI-NRFANRHFSA-N 446.528 5.403 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10326288 KLGZOGGBKVFUAT-SFHVURJKSA-N 448.588 5.204 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1)c1ccc(C)cc1 11809981 NIQCLJZXUMNTGR-HXUWFJFHSA-N 432.549 5.114 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(F)cc(F)cc2s1 12141021 HLSSYXYGLNNSHJ-UHFFFAOYSA-N 443.441 5.192 0 40 IKAB Cc1cc(NC(=O)c2ccc(Br)o2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442050 SSBLEHSAMGFGIJ-UHFFFAOYSA-N 447.289 5.051 0 40 IKAB O=C(Nc1ccc(Cl)cc1)C(=O)c1c(-c2ccccc2)nc2sc3c(n12)CCCC3 12600742 CYPXVHHDEFIDTC-UHFFFAOYSA-N 435.936 5.416 0 40 IKAB Cc1ccccc1/N=c1\scc(-c2ccc(Cl)cc2Cl)n1[C@H](C)CCC(C)C 12622270 LRMUXOFKCSVCFN-PIHGLKBESA-N 433.448 8.061 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C[C@H]2CCCO2)c1C 12733132 PPJIHOBNLXSFMX-PZJWPPBQSA-N 435.593 5.465 0 40 IKAB COc1ccccc1[C@@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 12786263 SBCQHWAVINAONR-QGZVFWFLSA-N 432.948 5.269 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12946856 BHTGLGQUPZGDBX-UHFFFAOYSA-N 432.204 5.267 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 13006290 XRXHGAVWXLVVGU-UHFFFAOYSA-N 437.337 5.093 0 40 IKAB C[C@H](OC(=O)CCSc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13072308 CJBWWOMMUYIIGT-ZDUSSCGKSA-N 448.516 5.141 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)c2C)cc1 13121175 OQMOTQAKMWDEGX-UHFFFAOYSA-N 434.540 5.295 0 40 IKAB O=C1c2ccccc2N[C@@H](c2c(-c3ccccc3)nc3sccn23)N1CC(F)(F)F 13127232 WACXNQGXGCDFSC-GOSISDBHSA-N 428.439 5.192 0 40 IKAB Cc1c(C)n(Cc2ccco2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 13593623 ZDYTUHYGOPAUIE-UHFFFAOYSA-N 446.561 5.239 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)cc1 13871551 WKUKAAKHOBMVIM-GOSISDBHSA-N 438.597 5.348 0 40 IKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 13942367 SVAMKUOSTACNRR-SANMLTNESA-N 428.963 7.080 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 14404846 XFZQRJFHSAMNAT-QGOAFFKASA-N 436.515 5.393 0 40 IKAB COc1cccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1 15209910 YCGNVNUEFGZJNV-UHFFFAOYSA-N 439.562 5.053 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(C3CCCCC3)n(-n3cccc3)c2=S)cc1Cl 16807217 DZVBSPNDAGSKMV-UHFFFAOYSA-N 429.977 5.175 0 40 IKAB CC(C)C(=O)N1CCCC[C@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19085610 RZYDMPDIQGBXMA-YQQAZPJKSA-N 426.508 5.315 0 40 IKAB C[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)c(F)c1 23818378 PPZCZGVFIUNAJE-NSHDSACASA-N 447.835 5.126 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 24802842 NAJFDHVNQGTLMS-UHFFFAOYSA-N 439.515 5.336 0 40 IKAB CCCOc1ccc(/C=c2/sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 26532171 AGFFUPHVCSAVMO-PTGBLXJZSA-N 438.552 5.427 0 40 IKAB O=C(Nc1ccccc1)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 27028215 GWYJGKITLOQYSU-UHFFFAOYSA-N 449.529 6.803 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2cccc(Cl)c2)CC1 30620870 MVFTWCYRZCTCSI-UHFFFAOYSA-N 443.934 5.624 0 40 IKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 30860414 KZPDVOJLROVQDG-HNNXBMFYSA-N 432.369 5.076 0 40 IKAB O=c1c2ccccc2n2c(SCc3cccc(Cl)c3)nnc2n1CCc1ccccc1 32985534 RXDMQMGLHZMVPN-UHFFFAOYSA-N 446.963 5.233 0 40 IKAB Cc1ccc(-c2ncc3c(SCC(=O)Nc4ccc(C(C)C)cc4)ncnc3n2)cc1 33300933 ILLBEDGQGBQFGC-UHFFFAOYSA-N 429.549 5.249 0 40 IKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 57279577 RLKGFOVWYBDRSI-UHFFFAOYSA-N 434.495 6.635 0 40 IKAB CC(C)c1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1 57486364 JNLPMDQMQRDAIV-UHFFFAOYSA-N 427.367 6.005 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1Cl 59227213 XVLVHAOTCLAYGE-NSHDSACASA-N 442.140 5.056 0 40 IKAB COc1ccc(Br)cc1[C@@H]1Nc2c(Cl)cc(C(=O)O)cc2[C@@H]2C=CC[C@@H]21 59436905 PCWPTBFAJYUDFE-FHSNZYRGSA-N 434.717 5.636 0 40 IKAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 72304098 LEKHVSZNBOBDET-SFHVURJKSA-N 430.614 5.417 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c(C)c1 72333446 QOQQRVIKARJUGO-UHFFFAOYSA-N 444.560 5.074 0 40 IKAB O=C(CCn1ncc2ccccc21)N1CCC(c2[nH]c3ccccc3c2-c2ccncc2)CC1 72342175 GRIUFDNRQYUCBI-UHFFFAOYSA-N 449.558 5.376 0 40 IKAB Clc1ccccc1OCCc1cc([C@@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1 72371723 XXIKNKKBVRRXQW-LJQANCHMSA-N 432.955 5.222 0 40 IKAB CC(=O)N1N=C(c2ccccc2Cl)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 89930428 FWLZPCWRFFSJOW-QFIPXVFZSA-N 430.895 5.483 0 40 IKAB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)Cc2ccccc2)c1 95116696 YVZCSRLQSJKESP-HSZRJFAPSA-N 449.348 5.378 0 40 IKAB COc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1OC 100425611 FQZCNALJCICLHL-XHCCPWGMSA-N 426.516 6.333 0 40 IKAB Cc1cccc(CSCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219763464 NARUOUZPDSXUHN-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 222768520 CUTZQGCTXNKFLF-HXUWFJFHSA-N 438.999 5.307 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCc2cccc3ccccc23)c(Br)c1 222863509 QGVRUWUYQONTHW-UHFFFAOYSA-N 426.354 5.595 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 222886691 KSSFFKGUKNRSFL-UXHICEINSA-N 441.398 5.017 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 223067277 LWVLQYQCDJRTCQ-RTBURBONSA-N 445.003 5.174 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Br)ccc32)c1 223082824 IYHZQRTWLCHIJF-UHFFFAOYSA-N 449.348 5.603 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223268685 IBUAFAQCSNXMIS-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223362864 BKXPEZGCLKKESN-GOSISDBHSA-N 449.422 5.486 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 223552877 ZVCLYWNFRQJDKQ-JOCHJYFZSA-N 444.641 5.140 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223632112 KQJDOIWDXMXHAQ-VQTJNVASSA-N 448.375 5.003 0 40 IKAB Cc1ccccc1CNC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224066494 NTYHUYLGULBFLG-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 224194544 SKKUZAJCGSBEIN-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1C(C)C 224230409 UKEDDRISZJHYKL-UHFFFAOYSA-N 443.465 6.669 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224350402 NMXCOJXSXVUVQW-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224444864 AJPYFDHVYPSXQU-GOTSBHOMSA-N 433.483 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(-c2ccccc2)cc1 224553763 DOTGGGJQAZKSIB-UHFFFAOYSA-N 441.502 6.723 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 224560415 JZMBNIZNPLLXMR-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccc(C)cc1 224662610 ZYXRURYOVOPTHU-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225362999 NSEPLXDUWVXSDR-JWQCQUIFSA-N 446.620 5.963 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1NC(=O)C(C)C 225613931 OOKLLJJEKLJZTM-UHFFFAOYSA-N 433.382 5.111 0 40 IKAB CCC[C@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 225855103 RXQYTYWUPZNVLM-KRWDZBQOSA-N 444.622 5.343 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)cc1Cl 225866636 IIOAOBBVWTUNJM-UHFFFAOYSA-N 447.000 5.671 0 40 IKAB C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)NCc3ccc(CO)cc3)ccc2O1 257327686 XCGRKDUUAOFSTI-MHZLTWQESA-N 449.978 5.018 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Br)cc1 408561586 KAQKXKIDGDRRHP-LNVKXUELSA-N 445.382 5.311 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 408595660 LBMRQUNEGSJKOJ-UHFFFAOYSA-N 438.597 5.150 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Cl)c1 408603013 AFMCROBTUJZXAN-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OCC)cc3)cc3ccccn23)cc1 408677883 SASRFKKRHKSNDD-UHFFFAOYSA-N 440.543 6.169 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nn2-c2ccccc2)c1 408696136 WQBJUHZLLZVPCT-UHFFFAOYSA-N 446.510 6.287 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409019435 JDLHSNKQCXLABK-NSMHLIOHSA-N 438.980 6.486 0 40 IKAB Cc1cc(C)cc(COc2cc(O)c3c(c2)C=CCCCC(=O)CCC[C@@H](C)OC3=O)c1 1614467729 SMJWSYHLFFZHQK-HXUWFJFHSA-N 436.548 6.070 0 40 IKAB biogenic Cc1nc(-c2c[nH]nc2-c2ccc(OCc3ccc(Br)cc3)cc2O)cs1 1003577 NOVWEQCMKXHVCO-UHFFFAOYSA-N 442.338 5.556 0 40 IKAB CCN(CC)CCOc1ccc(C2=C(c3ccc(OC)cc3)Cc3cc(OC)ccc32)cc1 1692218 RRQDMEPRABCAAF-UHFFFAOYSA-N 443.587 5.940 0 40 IKAB biogenic,in-vitro CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)CC)CC4)cc1 1795865 GFFWXRSMXHALKX-GOSISDBHSA-N 425.594 6.337 0 40 IKAB O=P(Nc1cccc2cccnc12)(Oc1ccccc1Cl)Oc1ccccc1Cl 1858802 VUBXROVJXUWXTH-UHFFFAOYSA-N 445.242 7.220 0 40 IKAB FC(F)(F)c1cccc(Nc2nnc(Nc3cccc(C(F)(F)F)c3)c3ccccc23)c1 1895241 NYYLEJMHFLMUDR-UHFFFAOYSA-N 448.370 7.155 0 40 IKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C)C3)c1 2185819 OCNHZTDMDZVQNY-HNNXBMFYSA-N 438.980 6.339 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 2442424 UMTLIMMEPHETFB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1ccc(OCC)cc1 2706343 NUJHVFCLAWDDDQ-UHFFFAOYSA-N 429.615 5.257 0 40 IKAB Cc1ccc(C(=O)NC[C@@]2(C)C[C@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C 2752492 KSIKJNIQBQLYQP-YWEHKCAJSA-N 434.624 5.665 0 40 IKAB CCc1ccc(C(=O)C[C@@H](Nc2ccc(Br)cc2)c2ccc(OC)cc2)cc1 3166451 DHGGERTVBWWLAZ-HSZRJFAPSA-N 438.365 6.446 0 40 IKAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 3188304 XVDZBLUTAZJVOP-UHFFFAOYSA-N 438.622 5.400 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2-c2ccccc2)cc1 3312516 QACPWUJSFJMNFC-UHFFFAOYSA-N 446.576 5.233 0 40 IKAB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3338296 QZAMIBBCMBUXCI-TZOMUSMUSA-N 430.234 5.178 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 4660848 JJMQQBVJXJKAJY-MRXNPFEDSA-N 427.566 5.783 0 40 IKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 5759392 KZASEJMAAFUHML-AWUHDJBCSA-N 425.572 5.312 0 40 IKAB CCCCCC(=O)N[C@H](Nc1ccc(C(=O)OCCCC)cc1)C(Cl)(Cl)Cl 6077854 ZIYXSCMEGDSVKA-SFHVURJKSA-N 437.795 5.448 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)NC1CCCCCCCCCCC1 8452699 QHBIVYSCBDGSOI-UHFFFAOYSA-N 430.814 6.271 0 40 IKAB Cn1ccnc1SCC(=O)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 8778704 JUYMNFPIIPHNMR-UHFFFAOYSA-N 438.553 5.008 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 8857515 QJQBZOSRVYFMPP-UHFFFAOYSA-N 432.854 6.449 0 40 IKAB COC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8867209 OHAQRXFDHWZILB-RUZDIDTESA-N 442.544 5.089 0 40 IKAB CCCCCN1C(=O)N(c2ccc(C)cc2)[C@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C 8926378 VIJRBCGJYRUDPI-JOCHJYFZSA-N 438.572 5.764 0 40 IKAB CC(C)(C)c1cc(C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc(C(C)(C)C)c1O 9188005 XKQZWHIQZVSSKN-UHFFFAOYSA-N 445.072 6.138 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9211027 BWGWSUIFERGGLX-OAQYLSRUSA-N 448.931 5.622 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O 9266953 PRKSRCZNGQNDEA-XMMPIXPASA-N 438.527 5.674 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 9282672 HKUVVHOJTYAKOL-VWLOTQADSA-N 438.527 5.986 0 40 IKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2F)cc1O 9344937 MRIHBBBHHCWANO-UHFFFAOYSA-N 432.451 5.758 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 9380497 KMAOUSXEXYHBCK-QHCPKHFHSA-N 435.930 6.004 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1cccc2ccccc12 9584324 QYZPSGHZSARQEQ-UHFFFAOYSA-N 440.528 5.470 0 40 IKAB Cc1ccc(-c2cn(-c3ccccc3)c(SCc3cc(=O)n4ccsc4n3)n2)cc1C 9666668 GRLRMKNRMHJYPP-UHFFFAOYSA-N 444.585 5.518 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2Nc2cccc(C)c2C)cc1 9858026 KPEABRDBMKZDMF-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)N(Cc1ccco1)C1=CCCCC1 9864373 IJWXGGMPRUSXOA-UHFFFAOYSA-N 440.594 5.322 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1Cl 10119261 WCDZWZKGYHJESG-UHFFFAOYSA-N 446.934 6.015 0 40 IKAB COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1C)CC2 11726249 LFFIMUNTVYQGJW-RUZDIDTESA-N 445.559 5.448 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4c(OC)cccc4OC)ccc3oc2=O)cc1 11866217 ZSAUACKNPZDHSM-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic Fc1ccc([C@H]2CC(c3ccc(I)cc3)=NN2c2ccccc2)cc1 12376675 CTQJKBZVPGWPHF-OAQYLSRUSA-N 442.275 5.786 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 12486787 KEVLETLQKSBYSS-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1 12528919 POQMNLJGLXZCBQ-VWLOTQADSA-N 442.515 5.045 0 40 IKAB Cc1cc(C)c2nc(SCC(=O)N(C)CC(=O)Nc3ccccc3Cl)cc(C)c2c1 12547025 DWQMHLXMZRWCPR-UHFFFAOYSA-N 441.984 5.003 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 12845913 ZLAQSPCEHWGWMQ-UHFFFAOYSA-N 448.876 5.151 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 13133670 NDARXNQIFZPRFA-GOSISDBHSA-N 432.545 5.558 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1 13502156 ARHCETCYZZERJX-DEOSSOPVSA-N 447.604 5.284 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn12 13644806 AROBVTFBKCLYLU-UHFFFAOYSA-N 447.829 5.847 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)ccc1Cl 14269665 YFDOBUMMEGYWHR-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB Cc1cc(C)c2oc(C(=O)N(Cc3ccc(C(C)C)cc3)c3ccccn3)cc(=O)c2c1 15669872 UOWMXRVTPYYDST-UHFFFAOYSA-N 426.516 5.775 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nc4cc(Cl)ccc4o3)ccc21 15910869 RMYRMFATIHMSDH-UHFFFAOYSA-N 435.936 6.340 0 40 IKAB COc1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccc(C)cc3)cc2-c2ccccc2)cc1 15951961 DAIJKYBWCCHUQB-UHFFFAOYSA-N 428.555 7.281 0 40 IKAB Cc1ccccc1CSc1nnc([C@@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 16033365 HQTDFBUWKOUYSX-LJQANCHMSA-N 425.554 5.479 0 40 IKAB CCCCCC[C@@H](C/C=C\CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O 16891752 GXLLXKLCZRBGPM-RNAYGUPVSA-N 440.621 6.060 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 19638632 CSKXVLPMSZDWCM-UHFFFAOYSA-N 443.551 5.226 0 40 IKAB Cc1ccc2[nH]c3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)ncnc3c2c1 19707392 ARGIXZNUJRDJCP-UHFFFAOYSA-N 433.559 5.331 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2c(CN3CCOCC3)cc(Cl)c3cccnc23)cc1 19863742 PINIYBVNDTUJRF-UHFFFAOYSA-N 438.955 5.237 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20495063 CZGIKOGNPBJXNT-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1Cl 20610764 OFYPSNAJBQOHRI-UHFFFAOYSA-N 436.899 5.122 0 40 IKAB COc1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)nc3ccccc3c2=O)cc1 20799216 LYVIVXPXVMXLAR-UHFFFAOYSA-N 432.523 5.982 0 40 IKAB CCc1ccc([C@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)N(C)C)cc1 22684777 NVGGMDNQTXAFDG-QHCPKHFHSA-N 439.650 5.339 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23637629 FUAPOLUFWZHDLX-GOSISDBHSA-N 429.549 5.065 0 40 IKAB Cc1ccccc1N[C@H](c1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770814 GOBQIOHKAYANQG-RUZDIDTESA-N 426.585 7.127 0 40 IKAB CC(C)(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(F)ccc3o2)c2ccccn2)cc1 27990057 SZDIHUKAKHVNBU-UHFFFAOYSA-N 430.479 5.472 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@H](c3cccs3)C2)cc1 28062365 JFXOVSMPIUKJIQ-NRFANRHFSA-N 435.549 6.375 0 40 IKAB COCCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 28362763 OEBXLRSTSWILPY-UHFFFAOYSA-N 438.778 5.300 0 40 IKAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H]3CCSc4ccc(Cl)cc43)c2C)cs1 29380981 ADBDILSRQPDSNI-SFHVURJKSA-N 432.014 5.544 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 30943335 OMJDKHOZDMXBDH-HXUWFJFHSA-N 428.960 5.148 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 32116366 PADRPBYFMVLWJB-UHFFFAOYSA-N 433.040 6.337 0 40 IKAB CC1=C[C@@H](CN(C)Cc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442661 YEUJFBDWSDCCHY-HJOGWXRNSA-N 431.584 5.056 0 40 IKAB biogenic,in-vitro O=C(Cc1csc(Cc2ccccn2)n1)Nc1cccc(C2SCCCS2)c1 40131222 PJVSJMWNYCXQGA-UHFFFAOYSA-N 427.620 5.179 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 67245447 OGGSXROIJBMSRD-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB S=c1[nH]nc(C2CC2)n1CCNc1ncnc2scc(-c3ccc(Cl)cc3)c12 72307738 NCZSRZSDMNKXTF-UHFFFAOYSA-N 428.974 5.255 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1cccnc1Nc1cccc(F)c1 84372639 PWWOTMLHKBBZSS-UHFFFAOYSA-N 434.858 6.057 0 40 IKAB CC(C)[C@H](NC(=O)COC1CCCCC1)c1ccccc1NC(=O)COC1CCCCC1 95443733 INLDVBNOFPDKBE-SANMLTNESA-N 444.616 5.137 0 40 IKAB CC(C)(C)OC(=O)NC[C@H]1CC[C@H](C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 100796148 CGYUBYWOEBZTLZ-PUZFROQSSA-N 437.584 5.115 0 40 IKAB CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101378551 QWSIAAFSNMINOX-SFBBKYIBSA-N 435.520 5.190 0 40 IKAB CCOc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O 102675037 PYFVFXDWBJAACS-OYHNWAKOSA-N 436.899 5.101 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 215702642 RLXCLWVJGZGUBG-AQTBWJFISA-N 432.423 5.056 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1OCc1ccccc1 218988753 JWJWDAQGYCQSGM-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COc1ccccc1C 224099407 GETPRQGSZFNKLA-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224183312 GJSRQSAAWYWFCG-BJKOFHAPSA-N 445.975 6.481 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 224194493 SKKUZAJCGSBEIN-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)cc1 224499358 DVAXZIUGRIEHSG-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 224540823 XYECEOKYOPMKFJ-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccccc1C(C)C 224567949 ILPBJNYGHJRQCK-UHFFFAOYSA-N 447.531 5.827 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccc(C)cc1 224663398 NJWITEOOVKXZQW-UHFFFAOYSA-N 445.506 6.957 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](CC)C(=O)NC2CCCCC2)cc1 225029617 BHLFBPWZPQWQMC-SANMLTNESA-N 434.624 5.438 0 40 IKAB COc1ccccc1CNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225313186 SRQJBJNNTPINFA-UHFFFAOYSA-N 432.589 5.710 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225419776 RKMFWIKONVHICN-AREMUKBSSA-N 446.591 5.115 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 225523824 IUHWBEWVUHDNEF-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225537669 OCDPTJBDZMQZLP-HXUWFJFHSA-N 444.644 6.880 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3F)CCOCC2)cc(C)c1OCc1ccccc1 225573076 ZPQBGXLNRJDFIT-UHFFFAOYSA-N 433.523 5.708 0 40 IKAB COc1ccc(F)cc1-c1ccc(C[C@]2(C(=O)NCCC3=CCCCC3)CCCO2)cc1 257246178 ISWFBPKOELMBSR-MHZLTWQESA-N 437.555 5.600 0 40 IKAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)N4CCC(CCO)CC4)ccc3O2)cc1 257274135 NJRVTBKNZPWBJH-LJAQVGFWSA-N 449.635 5.300 0 40 IKAB CCc1ccc(CN(Cc2ccccc2)C(=O)COc2c(Cl)cccc2C(=O)O)cc1 257295403 QYEDIYKAMMVRDL-UHFFFAOYSA-N 437.923 5.208 0 40 IKAB COCc1cccc(C(=O)N2CCC3(CC2)CO[C@@H]2c4ccccc4OC(C)(C)[C@H]2C3)c1 257305431 SPYYLVWPLFESOC-LADGPHEKSA-N 435.564 5.004 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2)CCOCC1 257338705 YYPHSROZGSSXOH-HSZRJFAPSA-N 428.576 5.055 0 40 IKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc(Cl)c1OC(C)C 260784307 VRVQWYPGYKNZNM-VOBQZIQPSA-N 431.989 5.510 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(OC)c2)cc(Cl)c1OCc1ccc(C)cc1 408551517 DJWWZZNXEDGODB-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 408559227 YJUQUOXHIMGUAO-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408574203 KZWQXAIYUHFFPW-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1 408574921 NBKGWTQUITVVGO-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB CCCc1nc(S/C(=C\c2ccccc2OCc2cccc(Cl)c2)C(=O)O)n[nH]1 408633358 XXTTXRIXSLJMJA-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)c(C)c1 408700013 YJGYILQYWQVBKL-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408751035 VPMFUBLSZPYDKB-WZBLMQSHSA-N 436.533 5.039 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)S1 408810193 IJTNQHKTXQJSKV-UHFFFAOYSA-N 429.880 5.511 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 409239469 NAFQZICBAOCKNH-WOJGMQOQSA-N 431.897 5.064 0 40 IKAB CCSc1ccccc1C(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 1775966717 VULAASXXFBFMSU-UHFFFAOYSA-N 442.600 5.086 0 40 IKAB O=C1C[C@H](c2ccc(F)c(Br)c2)c2cc(Br)c3ccccc3c2N1 861534 XIFPRMJTLFTFQQ-CYBMUJFWSA-N 449.117 5.978 0 40 IKAB CCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 982702 WTZDKRPCDHKJQH-AREMUKBSSA-N 430.573 5.318 0 40 IKAB aggregator CCn1c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 1306058 ZLIUGBVTSLZJQR-HSZRJFAPSA-N 429.545 5.690 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360032 YKPTYNNICDABAJ-QFIPXVFZSA-N 433.552 5.207 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 1377251 PCLYCTWVQPQVRO-CYBMUJFWSA-N 439.606 5.433 0 40 IKAB O=C(CSc1c(Cl)cccc1Cl)Nc1nc(-c2ccccc2Cl)cs1 1392108 XNALVVIDNFLPCU-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 1828761 NSUAISKJGHSCEF-MUUNZHRXSA-N 431.576 6.053 0 40 IKAB biogenic CCCOc1ccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)cc1 1837823 SLINYFSERLAWCZ-UHFFFAOYSA-N 439.492 7.387 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ccccc2Nc2ccccc2)c2ccccc2)cc1C 2079639 HJVHSLTYQWOQNN-NDEPHWFRSA-N 435.523 6.828 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 2200046 BGDBEKLMQTUJOF-DEOSSOPVSA-N 439.511 5.206 0 40 IKAB Cn1c(NC(=O)c2cccc(Br)c2)c(-c2ccccc2)c(=O)c2ccccc21 2213925 DFKXNIJTFYTVQB-UHFFFAOYSA-N 433.305 5.220 0 40 IKAB Cc1ccccc1-n1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2294191 SEAPSVMYCLHHII-UHFFFAOYSA-N 430.617 6.466 0 40 IKAB biogenic CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CC[C@H](C(C)(C)C)C3 2314745 PTLSAMOTMCGSGM-ZDUSSCGKSA-N 426.651 6.987 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccs3)sc2c1 2445237 JJXIVDSHVHVUNU-IBGZPJMESA-N 430.510 5.522 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(F)cc1Cl 3229112 MSOORYVGKLGQHA-UHFFFAOYSA-N 429.929 5.882 0 40 IKAB Cc1ccc(C(=O)Sc2sc(=S)sc2SC(=O)c2ccc(C)cc2)cc1 3667393 JZHSWUVYWBCVEQ-UHFFFAOYSA-N 434.654 7.021 0 40 IKAB O=C1C[C@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 4118557 OSFYLSHUWZASFG-AWEZNQCLSA-N 431.138 5.180 0 40 IKAB Cc1ccc([C@@]2(c3ccccc3)C=C(c3ccccc3)N=C2c2nccc3ccccc23)cc1 5004819 CPIAORIJNHBYST-YTTGMZPUSA-N 436.558 7.373 0 40 IKAB CCOC(=O)c1c(C)n(CCOCc2ccc(Cl)cc2)c2c1cc(O)c1ccccc12 5947965 UMCKSMKEUTXQOW-UHFFFAOYSA-N 437.923 5.855 0 40 IKAB O=C1N[C@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8722389 PNOSBHMWSPWLBJ-FQEVSTJZSA-N 444.387 5.467 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@H](C)C3)cc1 8781330 IRZYASLOZNLOJH-HNNXBMFYSA-N 438.980 6.339 0 40 IKAB Cc1coc2cc3oc(=O)c(CC(=O)Nc4ccc(N5CCC(C)CC5)cc4)c(C)c3cc12 8792245 YPSKWDHSTXFMPM-UHFFFAOYSA-N 444.531 5.574 0 40 IKAB biogenic Cc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1C 8857155 ZGRVOHJAEXTBEN-UHFFFAOYSA-N 428.879 5.373 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 8871521 WQDMPCPXCUPVQP-LJQANCHMSA-N 445.950 5.657 0 40 IKAB COc1ccccc1-c1nc(C)c(-c2ccc(SCc3cc(C)ccc3C)nn2)s1 8875900 UWRXKNLHLKLDBS-UHFFFAOYSA-N 433.602 6.493 0 40 IKAB CN(CCOC(c1ccccc1)c1ccccc1)CC(=O)Nc1c(Cl)cccc1Cl 8986776 ABTRGWPQNUHGRO-UHFFFAOYSA-N 443.374 5.670 0 40 IKAB Cc1c(CC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 9033841 WQRLMRYCRGTIFM-UHFFFAOYSA-N 427.250 5.213 0 40 IKAB biogenic Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccccn4)c(C)c3cc2c1-c1ccccc1 9061251 VFLXLLDVOLXLHY-UHFFFAOYSA-N 438.483 5.789 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 9209470 CADDQPJTQQVEPJ-HSZRJFAPSA-N 445.902 5.243 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 9307388 RVXTXUAKZIPNHI-INIZCTEOSA-N 449.986 5.754 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nnc2-c2ccccc2)cc1 9308099 ADSMTWWHBXIHLL-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB Cc1nc(COc2ccc(C(=O)N(C)Cc3ccccc3N3CCCCC3)cc2)cs1 9379523 QLGRNODSTWFATR-UHFFFAOYSA-N 435.593 5.293 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)s2)cc1 9507231 HOWNBLHPTOMBCE-UHFFFAOYSA-N 439.393 5.936 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2C2CCCCC2)cc1 9545253 OXHPKKAWVRVDIE-UHFFFAOYSA-N 436.581 5.498 0 40 IKAB Cc1sc2nc(-c3cccs3)nc(N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C 9576899 KORZEONQIYBDHG-ZDUSSCGKSA-N 443.619 5.613 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2c(oc3ccccc32)c1=O 9751650 LJCYCONLCTWLCC-UHFFFAOYSA-N 441.940 5.245 0 40 IKAB Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 9761131 LYBCYNGOTCPQNE-NRFANRHFSA-N 446.175 7.112 0 40 IKAB COc1cc(OC)cc(-c2nnc(Sc3ncnc4sc5c(c34)CCCCC5)o2)c1 9767172 WWUICGVGVOGMJV-UHFFFAOYSA-N 440.550 5.179 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1ccc(O)c2ccccc12 9908908 ZVGJBLJUPYWGEA-QHCPKHFHSA-N 444.918 5.699 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 12811997 QCJRWNBXCQJDIT-UHFFFAOYSA-N 448.379 5.791 0 40 IKAB COC(=O)c1ccccc1Sc1cc(Sc2ccc(C)cc2)nc(-c2ccccc2)n1 12955137 JYJMTPBDWSJGPG-UHFFFAOYSA-N 444.581 6.541 0 40 IKAB CSc1ccc2c(c1)N(C(=O)CN[C@H](C)c1cccc(Cl)c1)c1ccccc1S2 13040180 BFIXDCPBWOUZGE-OAHLLOKOSA-N 441.021 6.542 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4oc5ccccc5c4c3)c2Cl)cc1 13100404 BWOMCCKGYRUAEC-UHFFFAOYSA-N 429.907 6.353 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 13871309 JBUBOMLUDCEVBC-OAHLLOKOSA-N 444.988 5.210 0 40 IKAB Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 15188058 DKQXIYIPJAWZTF-OAQYLSRUSA-N 436.169 7.656 0 40 IKAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccc(F)c(Cl)c1 16777982 HDIGMEYPMYPAIY-UHFFFAOYSA-N 433.940 5.006 0 40 IKAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)oc4C)ccn3n2)cc1C 16840031 OIQDNENRDQSHCW-UHFFFAOYSA-N 444.922 5.445 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c(C)c1 17097848 BJGFHJNOSCEUDS-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2s1)c1ccco1 20411003 QHLREDYBBRFSLK-UHFFFAOYSA-N 432.288 5.701 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3ccc(CN4CCCc5ccccc54)cc3)CC2)c1C 20493559 ORFGNKZRAWBBHK-UHFFFAOYSA-N 439.603 5.219 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)c(C)c3)nnc2c1-c1cccc2ccccc12 20672814 RMKQRPJPXAISFJ-UHFFFAOYSA-N 435.531 5.684 0 40 IKAB COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)C(C)(C)C)cc2s1 20895189 GKUOPARJDFDMCR-UHFFFAOYSA-N 430.595 5.769 0 40 IKAB CC(=O)Nc1ccc(NCc2ccc(-c3ccc(Cl)cc3)o2)c(N2CCOCC2)c1 22636706 NWYIBJJTIZQZDT-UHFFFAOYSA-N 425.916 5.007 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 25852005 WQMLTXSGMVGCFB-FQEVSTJZSA-N 427.529 5.375 0 40 IKAB CCOc1c(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cccc1OC 33337780 LAVFTYRRZAISLT-YVLHZVERSA-N 438.332 5.637 0 40 IKAB COc1cc(Br)c(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1OC 33474314 RKARWIKHHXNRKB-XFXZXTDPSA-N 448.338 5.481 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc(Cl)c1N1CCCC1 33768759 SOWKCTKUQSJIIT-UHFFFAOYSA-N 432.033 5.360 0 40 IKAB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c1C 35645301 RRJMCIZLSBXODZ-OEAKJJBVSA-N 448.975 6.618 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 39404513 JFKHTAOEQKQUED-UGSGIHTQSA-N 439.005 6.900 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(C(C)C)nnc23)cc1Cl 64949244 SROOWCYTSYDEBG-UHFFFAOYSA-N 425.945 5.094 0 40 IKAB COc1cccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)c1 67245199 OTKJAVAHCYMXFI-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB CNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC2CCCCC2)CC1 72345286 YAFXBYQVOGERLF-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccc(OC)c3)oc12 73642767 XCZLCYIIWXLFBE-UHFFFAOYSA-N 426.108 5.173 0 40 IKAB O=[S@](CCSc1nnc2sc3ccccc3n12)c1cc(Cl)ccc1Cl 95357393 FURCZASSDFJYNB-VWLOTQADSA-N 428.391 5.151 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Br)cc4[C@H]3C2)o1 102728984 UQMMHWCVYFSYTN-NQIIRXRSSA-N 443.728 6.246 0 40 IKAB Cc1ccc(C2=C[C@H](c3cc(Br)ccc3F)n3c(nc4ccccc43)N2)cc1 102799595 UMHCHSRXBMBLCA-JOCHJYFZSA-N 434.312 6.302 0 40 IKAB Cc1cccc(CSCCNC(=O)COc2ccc3ccccc3c2Br)c1 218902566 UOFKWQDPYLLOTG-UHFFFAOYSA-N 444.394 5.339 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223028493 VEZBEHLPTHJGQU-VQTJNVASSA-N 448.375 5.267 0 40 IKAB CC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 223334659 LBFPAISSMPJIQL-HSZRJFAPSA-N 441.358 5.400 0 40 IKAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223359045 AJHXYOZNFYLHIJ-MUUNZHRXSA-N 442.603 5.552 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 223406646 AJIJCGXXXJKIEO-GOSISDBHSA-N 449.422 5.568 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223711659 GDRRHVGXVOMLCV-RUZDIDTESA-N 436.640 5.507 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223824085 FDSIYIRGXOPEDI-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 224074402 NJJWVOQPMAZZBY-UHFFFAOYSA-N 442.496 5.639 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1C 224097897 GBWCOFIMWCXBSG-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224145235 ONBVLJORALZIBS-IBGZPJMESA-N 447.044 5.071 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224161160 IDXBVXHTOYFWCD-DNQXCXABSA-N 443.597 6.311 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224178905 LSAYVZCVQADKDP-UHFFFAOYSA-N 447.575 5.553 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 224240359 GCJWETZWXVESKJ-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cc(C)cc(C)c1C 224277680 DCIXTINIJMTBNM-UHFFFAOYSA-N 444.358 6.759 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCCC1 224430248 IQKVUKJNCXVNFW-LOSJGSFVSA-N 448.611 6.321 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224533116 WPTKXINCGUCHCO-UHFFFAOYSA-N 427.903 6.326 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1F 224914231 DSRXGEKQICJWDM-RPWUZVMVSA-N 434.584 6.013 0 40 IKAB CCN(c1ccc(Br)cc1F)S(=O)(=O)c1cc(Cl)ccc1Cl 224941429 LWYIQSDDQUGJNV-UHFFFAOYSA-N 427.122 5.110 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225165229 BEZHZQLZEOJFII-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225606302 XDZDJOGFYSPEBW-WZONZLPQSA-N 445.003 5.003 0 40 IKAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226341383 WZCOHUYWGFQFCO-DAFODLJHSA-N 435.532 5.487 0 40 IKAB CC(=O)N(c1ccccc1)[C@@H]1COC2(CCN(Cc3ccccc3OC3CCCC3)CC2)C1 257204831 AWLRSOHRRLMRTN-VWLOTQADSA-N 448.607 5.185 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257209302 BPVHIWLQNFEESR-OAQYLSRUSA-N 437.543 5.310 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 257324546 WPFAYCXHJAQTSN-LJQANCHMSA-N 434.559 5.247 0 40 IKAB CCOc1ccc(NCc2cc(Br)c(OCC)c(Br)c2)cc1 315761059 RENKLPZMEPDPRN-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB COc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 408552111 HJJWNFRNOADSOY-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCc1ccc(C)cc1 408554701 SYDVCSDFSUEJDU-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1cccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)c1 408577265 SDURIXDCTNUURF-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(Cl)cc1)Sc1nc2ccccc2[nH]1 408634434 RDMCVTZXOSBIEK-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccccc1Cl 408683225 KWFSOFIPZNEUMW-UHFFFAOYSA-N 435.738 5.726 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409169750 ZESWHYGWVFGJPN-GNANYNKOSA-N 442.990 6.567 0 40 IKAB CCCCCCC1=NN(C(=O)CSCc2ccccc2Cl)[C@](O)(C(F)(F)F)C1 409182888 POZOWXYKRSSXDJ-GOSISDBHSA-N 436.927 5.383 0 40 IKAB CCCN(CCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccc(C)cc1 409218249 ZPRMWYLPFTUFDW-UHFFFAOYSA-N 443.638 5.113 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3C)cc2Br)c1 409259657 CBIYZTVGNZQWDS-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1cc2ccccc2o1 409328557 XNQSEJXNLMVYEF-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCC3)cc1 722329 KFXDNMCCYIGLPT-UHFFFAOYSA-N 434.561 5.459 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778436 XWDDILVALCKECW-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB O=C1CN(c2nc(-c3ccccc3)c3cc(Br)ccc3n2)c2ccccc2N1 843942 CKHIPQFGCYCBDK-UHFFFAOYSA-N 431.293 5.150 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 853162 JTRRNRGBQKXSAA-UHFFFAOYSA-N 431.495 6.889 0 40 IKAB CCC(=O)Nc1sc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(C)c1C(=O)OC 871344 YJDIOPVZYQLNNN-UHFFFAOYSA-N 448.850 5.116 0 40 IKAB COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 955498 FJSJOLVUBWVPCR-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB O=C1O[C@@]2(c3ccc(Br)cc3)[C@@H](OC(=O)C23CCCCC3)C12CCCCC2 1075654 IBGURYAQEKKAFD-JTSKRJEESA-N 433.342 5.028 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 1239986 APZCHBOWEPMMQW-AREMUKBSSA-N 436.515 5.246 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2cccc(Cl)c2)c1C 1298138 ABYJHUBDCZKCBT-OAQYLSRUSA-N 437.952 6.460 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccncc1 1336127 YKEZZFRNRDOZCW-VWLOTQADSA-N 447.604 5.217 0 40 IKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1c(C)cccc1C 1353557 AXHHFQQBUBDPIA-UHFFFAOYSA-N 433.483 5.003 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3cccc(Cl)c3)cc12 1371622 VJMIXWVDVKDNJK-HXUWFJFHSA-N 439.943 5.011 0 40 IKAB Cc1c(-n2c(-c3ccc(Cl)cc3Cl)csc2=S)c(=O)n(-c2ccccc2)n1C 1462262 IGWUQOXMAAJFHU-UHFFFAOYSA-N 448.400 6.040 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@@H](C)C2 1747157 OCQYGIDAWHUADK-LLVKDONJSA-N 442.364 5.374 0 40 IKAB Cc1ccc(NC(=O)CSc2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 2074246 HUVKNOZLCMBDBY-UHFFFAOYSA-N 429.998 5.770 0 40 IKAB COc1cccc(-c2nc(N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c1O 2231040 OKSZCZUSEZYDMV-UHFFFAOYSA-N 425.532 5.470 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3Cl)c2NC(=O)c2ccccc2F)cc1 2339585 DJIBKLASQAIKPR-UHFFFAOYSA-N 447.897 5.561 0 40 IKAB O=C(c1ccccc1)N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 2434694 HFIYGUFQGFTTJD-UHFFFAOYSA-N 434.499 5.005 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3F)n2-c2ccccc2)cc1 2453740 SBZHPDUKAHXQQW-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(C)c2C)n1-c1ccc(C)cc1 2662304 FKZPJOPLYVLOBI-UHFFFAOYSA-N 446.576 5.182 0 40 IKAB Cc1ccc(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)cc1Cl 2689858 BJBUVPLMDLVKGR-UHFFFAOYSA-N 441.620 5.764 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(C(F)(F)F)c1 2799085 XHISFMGNTZHABP-UHFFFAOYSA-N 447.360 5.505 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 3287430 XZZOVBQJTWRESZ-UHFFFAOYSA-N 436.377 5.413 0 40 IKAB Clc1ccc(COc2ccccc2CNc2ccc3oc(-c4ccccc4)nc3c2)cc1 3315084 PBDWJYRZSJSPII-UHFFFAOYSA-N 440.930 7.339 0 40 IKAB CSc1nc2ccc(N[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2s1 3342660 CWITVYODTCJNLX-OAHLLOKOSA-N 435.574 6.250 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2c(c1)OCCO2 3346513 VVJGNJWJNSNPOQ-MHZLTWQESA-N 434.495 5.896 0 40 IKAB Cc1cc(NC(=O)c2cc3nc(Nc4ccccc4)sc3s2)ccc1Br 3437781 OGBVUQOSRQNZSI-UHFFFAOYSA-N 444.379 6.425 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Oc1ccc(C2CCCCC2)cc1)c1cccnc1 3666856 GULBSXOLOXALFB-UHFFFAOYSA-N 440.465 7.193 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3cc(C)c(C)cc3-c3c(ssc3=S)C2(C)C)cc1 3770960 QPTQIJDXAYSQPQ-UHFFFAOYSA-N 447.672 6.575 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109873 BDOVBQUDADZDIW-UHFFFAOYSA-N 428.454 5.866 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 4182185 CXBAWHGUKNBWGS-RUZDIDTESA-N 439.386 7.520 0 40 IKAB CCCC[C@H](CC)COP(=O)(N(CCCC)CCCC)N(CCCC)CCCC 6379788 QKJHLSJLPBHROT-DEOSSOPVSA-N 432.674 8.132 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F)c1cccc(Cl)c1 8810218 LKMBYIBNEWPZJQ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1Br 8850944 RWLZMOJAJRPYCU-CQSZACIVSA-N 431.355 5.087 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3Cl)n(-c3ccc(Cl)cc3)n2)cc1C 8857143 VVMLLRZOFKZCNK-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)cc1C 8861458 LPRCJGAYMUSPTF-UHFFFAOYSA-N 445.972 5.140 0 40 IKAB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(OCC)ccc2NC3(C)C)cc1 8916856 ZFJDKTSXOITUEC-FLFQWRMESA-N 440.590 5.945 0 40 IKAB CCCCN(CCCC)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 9192491 RJMKIZMEKJQORC-UHFFFAOYSA-N 442.698 6.980 0 40 IKAB COc1ccc(OCCS[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 9244648 YPDIOYQZJADTRU-ZDUSSCGKSA-N 444.603 5.595 0 40 IKAB Brc1c(OCCCN2CCCC[C@H]2c2cccnc2)ccc2ccccc12 9410983 DZPPULQLLRCPBO-NRFANRHFSA-N 425.370 5.993 0 40 IKAB biogenic CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C4CC4)n3C3CC3)c3ccccc3)c[nH]c12 9548734 WXFWPAQFXRORDW-DEOSSOPVSA-N 442.588 6.250 0 40 IKAB CCc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 9561439 OISRNBLBRHTQBN-NRFANRHFSA-N 425.866 6.432 0 40 IKAB Cc1sc2ncnc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)c2c1C 9562241 KKPSLKFVKKZRJR-VIFPVBQESA-N 428.608 5.023 0 40 IKAB CCNc1cc(C)nc(Nc2ccc(NS(=O)(=O)c3cc(C(C)C)ccc3C)cc2)n1 9572442 CDGCSDJTPJXOGQ-UHFFFAOYSA-N 439.585 5.193 0 40 IKAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 9665762 IHNYRSUPAHUSPE-UHFFFAOYSA-N 435.380 5.317 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@@H](c1ccccc1)c1cccs1 9777662 SKTVILACXZIQSU-VWLOTQADSA-N 442.540 5.285 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)c2cc3sccc3n2Cc2ccc(F)cc2)c1 9969799 HHERXJNLOSGKNM-UHFFFAOYSA-N 438.524 5.940 0 40 IKAB C[C@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1-c1ccccc1 10358733 BMEKCIRLCWKLDT-KRWDZBQOSA-N 430.529 5.466 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10697468 LMWUSDFSAOUUHE-DEOSSOPVSA-N 428.580 5.128 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(CNc3ccc(NC(C)=O)c(Cl)c3)[nH]c(=O)c12 10944461 GQXUXCABJVEKHR-NSHDSACASA-N 432.977 5.106 0 40 IKAB Cc1c(Cl)c(=O)oc2cc(OCc3cccc(Oc4ccccc4)c3)c(Cl)cc12 11692242 LIXHTTZTBHRRIY-UHFFFAOYSA-N 427.283 6.780 0 40 IKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1ccccc1C(=O)c1ccccc1 12649342 ADAZKPVXXXQEKZ-UHFFFAOYSA-N 447.575 5.568 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1 13673889 RDEVFGMNKAKGCQ-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1 15229316 IJLJXPRTIZQEKH-UDWIEESQSA-N 447.874 5.221 0 40 IKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccnn1Cc1ccc(Cl)cc1 15641596 YQNBXPCQEDBRLR-UHFFFAOYSA-N 445.997 5.081 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(C)cc4)oc3c2)cc1OC 15729392 IFAMJOJMNVEDDO-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 16284274 QTHNHYMOSMLBEM-UHFFFAOYSA-N 426.350 5.047 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 17095273 ONPWCBLKISZKRX-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 17103169 NXDKVMKFOOMXQR-UHFFFAOYSA-N 439.346 6.322 0 40 IKAB C[C@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)C1 17245587 RBGNQCOCBYDSDG-INIZCTEOSA-N 443.469 5.507 0 40 IKAB Cc1sc2c([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C 19561720 WTGQOVUKHRTUMX-LJQANCHMSA-N 445.592 5.100 0 40 IKAB COCCOc1ccc(C(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1 19691414 BXCGYQMBKQGJDM-UHFFFAOYSA-N 430.548 5.102 0 40 IKAB Cc1nc([C@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccc(F)cc1 19765026 RQDSVHKHOGRWTI-JOCHJYFZSA-N 438.547 5.200 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 20043096 GJXVHKSNLVTYLQ-OAQYLSRUSA-N 449.016 5.032 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c1C 20451239 KLFHXEUZKDLEOT-UHFFFAOYSA-N 434.989 5.162 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 21595838 QZSHJJNUWQRYML-UHFFFAOYSA-N 444.600 7.057 0 40 IKAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 22076779 OBSLYSHZXKUTHT-UHFFFAOYSA-N 429.919 5.755 0 40 IKAB CCn1cc(C(=O)Nc2cccc(Br)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236761 NEFUGJKQMWGORF-UHFFFAOYSA-N 439.231 5.055 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc(-c2ccncc2)no1 22461039 CPZORZQWGQIWMC-UHFFFAOYSA-N 441.274 5.123 0 40 IKAB CC(C)N(C(=O)CSc1noc(-c2ccc(Br)cc2)n1)c1ccccc1 28527237 GALLXBOKLFESTL-UHFFFAOYSA-N 432.343 5.033 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 32118707 ZENJPCBDXHQBOD-UHFFFAOYSA-N 439.378 6.807 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(Br)o1 32999580 LPUVEVRSFPTCGS-UHFFFAOYSA-N 437.087 5.849 0 40 IKAB COc1cc([C@H]2N[C@@H](C(=O)O)CS2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 33479401 ZIAKTJSAPIEARV-PBHICJAKSA-N 448.755 5.023 0 40 IKAB COc1ccc(/C=C2/CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)O)cc1 33740128 RJGLUKJDMCEBLR-QNGOZBTKSA-N 436.511 5.498 0 40 IKAB Cc1cccc(OCCn2c(C)c(/C=C3\N=C(c4ccccc4)OC3=O)c3ccccc32)c1 41082787 LSJAPCREJSKHPT-BWAHOGKJSA-N 436.511 5.682 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2ccc(OC(F)F)cc2)cc1 44088166 WXZSVPFJNRIMIK-UHFFFAOYSA-N 443.519 5.164 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)cc1C 57428562 CBATYAFVMHRSKQ-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CC(C)C[C@@H](C)N(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc2[nH]ccc2c1 58266397 BZKRMXLSTVUEAG-GOSISDBHSA-N 433.552 5.363 0 40 IKAB COc1cc(/C=C2/C[C@@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OC(F)F 96399879 XHPDRPMGVQJANL-LKKYZFDUSA-N 425.431 5.666 0 40 IKAB CCc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccc(C)c(C)c2)cc1 97898298 SGNWNLCRBLTWEJ-IKPAITLHSA-N 441.531 5.292 0 40 IKAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1 101015343 SPMJFSKYZHNYDJ-JOCHJYFZSA-N 441.922 5.548 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1Cl)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 101170752 BRIOINWOBOGTMV-HKDRDPIHSA-N 437.926 5.764 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1OC 107700440 CCKBFDBAVDGJII-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118928190 VHWDKHQGPSRJLD-YBGUUFKTSA-N 436.592 5.639 0 40 IKAB COc1cc(C)c(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2C)cc1C(C)C 223512512 TXPCBJYTOVBEJQ-SANMLTNESA-N 437.605 5.812 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 224013594 UJTCINBKLGQYBG-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1NS(=O)(=O)c1ccc(Cl)cc1 224054283 QMUIGXBQRXEDEO-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1Cl 224118853 BBORXRKLCXBKCA-UHFFFAOYSA-N 446.399 6.403 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224233765 GRLLEIXOCPXBAJ-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 224265676 GHJCPCMAFQPNOX-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1 224360004 NNZAVRCDYMCKPA-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)s1 224625610 WFKKIVKUDRLQPV-BJKOFHAPSA-N 443.597 6.421 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1ccc2ccccc2c1 224688383 MDJMQVNOENBXBE-UHFFFAOYSA-N 448.588 5.036 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 224690512 VYDWPTOODJLKTQ-HSZRJFAPSA-N 445.003 5.079 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3CC4(CCCCC4)Oc4ccccc43)cc2)n1 225285078 BWCRTQFVBHGXDH-XMMPIXPASA-N 429.564 5.505 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225696299 OOUZXGXLPYGJFA-UHFFFAOYSA-N 432.649 5.747 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)c1ccc(Cl)cc1 408556802 JXDMBIWYIBQEGD-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)O)n[nH]1 408631937 NKLZMTICERCWPD-JCMHNJIXSA-N 445.544 5.707 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)Sc1nc2ccccc2[nH]1 408632623 FWUDHLMQHDDKNF-BKUYFWCQSA-N 446.484 5.058 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408971654 KWLAMAMFOBLHOM-UHFFFAOYSA-N 435.557 6.876 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(C2CCCCC2)cc1 408979507 MNGNIFKAXSIORL-SANMLTNESA-N 426.560 6.234 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(C)c2C)cc1 409027355 CUIGIUUYQOYPMH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409094246 CQSSFEJJKDPJHA-UHFFFAOYSA-N 449.407 5.947 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c1 409408206 JILHCLSYEKCSRS-UHFFFAOYSA-N 437.005 5.168 0 40 IKAB CSc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 866520 ZSMHPDNWGIDING-CZUORRHYSA-N 438.500 5.579 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 888279 ZOCYJQBTRMDLMM-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB COc1ccccc1NC(=O)[C@H](Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 907873 SEWQCGWQERGAGZ-KRWDZBQOSA-N 448.544 5.287 0 40 IKAB COc1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c(C)c1 917989 RAUPBHXPOFYZLN-UHFFFAOYSA-N 437.443 5.193 0 40 IKAB O=S(=O)(Nc1ccccc1)c1ccc(CCc2ncc(C(F)(F)F)cc2Cl)s1 1382314 HOPUXDBNFKMCDS-UHFFFAOYSA-N 446.903 5.401 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(C(F)(F)F)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385971 URZIHVLAMZXZNH-OAHLLOKOSA-N 442.412 5.427 0 40 IKAB O=C(c1cccc2c1Oc1ccccc1S2)c1cccc2c1Oc1ccccc1S2 1584514 RMZGODBTOUEBRJ-UHFFFAOYSA-N 426.518 7.431 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccccc1Br 1986261 HVHAQCQZMFQVCV-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB COC(=O)COc1ccc(-c2nnc(Nc3cccc4ccccc34)c3ccccc23)cc1 2360394 VUDCJFWWTLHSRF-UHFFFAOYSA-N 435.483 5.745 0 40 IKAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2371002 TVDPOCVINOIXSD-HRFSGMKKSA-N 430.312 5.717 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 2652776 FJIWMJMCDPYNOX-UHFFFAOYSA-N 431.561 5.409 0 40 IKAB Cc1ccc(Nc2[nH]c(=O)c3ccccc3c2C(=O)c2ccc(Br)cc2)cc1 2700548 LEDAVBSJQUYIKU-UHFFFAOYSA-N 433.305 5.574 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1Cl 3302062 OIJDBUMBVVCSIQ-UHFFFAOYSA-N 449.812 5.947 0 40 IKAB CCCc1ccc(Oc2coc3cc(OCC(=O)Nc4ccccc4C)ccc3c2=O)cc1 3366413 MTHOYURSAPLLOD-UHFFFAOYSA-N 443.499 5.864 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1 3655624 WSZFYQQFMBCSIH-LJQANCHMSA-N 441.527 6.502 0 40 IKAB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(C(C)C)cc1 3864156 VPRBQAWIHMFLST-ZWKOTPCHSA-N 441.549 5.239 0 40 IKAB C[C@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc(Br)cc12 4767714 ZRKKBXCNIUILTL-QIGVCLAPSA-N 441.753 5.422 0 40 IKAB O=c1cc(CN2CCC(Cc3ccccc3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 5552694 VIGXWSFLXWHHSI-UHFFFAOYSA-N 425.528 5.620 0 40 IKAB biogenic O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 8432235 VLFPSFZIZWZSBU-UHFFFAOYSA-N 440.974 6.650 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 8755212 FZLCAROIKGUZJC-HXUWFJFHSA-N 429.951 5.821 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c(C)c1 9425751 DKZJACXEOMMXKP-AREMUKBSSA-N 433.935 5.273 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(OC(C)C)c1)N(c1cc(C)on1)C3=O 9449565 TTXFHUREMRQEAW-QHCPKHFHSA-N 444.487 5.189 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9464531 JQKGTODLJHFVTC-GHMZBOCLSA-N 440.327 5.541 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1C 9591720 ZTOSNVPCCYPFPF-KRWDZBQOSA-N 447.918 6.340 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)c(Cl)c1 9632877 FFDYEVNSYIKBFR-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCO2 10037975 OECNDJOPQCPBDS-UHFFFAOYSA-N 430.460 5.608 0 40 IKAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4ccc(Br)cc4)ccc3C(=O)O2)cc1 11666564 NCBHPPGUEBQHFC-NRFANRHFSA-N 436.305 5.464 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1ccc2c(c1)OCO2 12786511 APJHTBCDCYNPJS-UHFFFAOYSA-N 434.439 5.138 0 40 IKAB Cc1cc(-c2cc(C(=O)N(C)c3nc4ccccc4s3)c3c(C)noc3n2)c(C)s1 12853286 BWUPXNHTMRGLIU-UHFFFAOYSA-N 434.546 5.763 0 40 IKAB COC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 12983024 WCLKVEXZRRFSOJ-UHFFFAOYSA-N 449.890 5.235 0 40 IKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1)c1ccsc1 13017711 RAGZLFSGGAZCHO-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 13062865 NWXVKJLIURRQPU-GOSISDBHSA-N 430.548 5.100 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2C2CCCCC2)cc1 13098748 WMXMCQSCGQALDZ-UHFFFAOYSA-N 440.544 5.329 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14070125 UHVYZNOUIHPCHJ-JOCHJYFZSA-N 434.471 5.061 0 40 IKAB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1ccc(Cl)cc1 14269114 FCWXYLNTBJCWFO-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(F)cc1 15229335 MVSTXZCFSVQGLB-STZFKDTASA-N 445.446 5.097 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 16610776 QHBPDLODHLWQPX-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Br)c1 17101042 TXPWBKFRMCWTHH-FNORWQNLSA-N 437.120 6.668 0 40 IKAB Cc1cc(-c2ccc(NC(=O)N3[C@H](C)C3(C)C)c(C)c2)ccc1NC(=O)N1[C@@H](C)C1(C)C 17313724 KQVRLJDZJABHCL-MPKZNSERSA-N 434.584 6.000 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 19082288 ZCRCAFFPDJPSJH-KBAYOESNSA-N 426.527 5.113 0 40 IKAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O 19318960 YTEZPFUJIPPOPH-UHFFFAOYSA-N 441.619 5.187 0 40 IKAB biogenic CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)cc1 19648297 SVOROPDVUQRPGI-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 19692028 GHOOSMAZGULZPQ-AREMUKBSSA-N 442.538 5.223 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC 20456619 BBECYMVNTBRLNR-QGZVFWFLSA-N 439.602 6.115 0 40 IKAB Cc1cc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2cc1C 20479762 WSWCHONXZJTHNX-UHFFFAOYSA-N 438.571 5.317 0 40 IKAB biogenic CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 20610238 VVDITWTUYMDHQX-UHFFFAOYSA-N 434.499 5.739 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(C)cc1 20875012 DGSUYZMXYAWRIV-UHFFFAOYSA-N 425.912 5.224 0 40 IKAB CCOc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1 22110070 DUQNUEAQALJGQE-UHFFFAOYSA-N 432.549 5.329 0 40 IKAB O=C(c1ccc(Br)o1)N(C[C@H]1CCCO1)c1nc2c(Cl)cccc2s1 22889511 XINGSUWHBMIKNC-SNVBAGLBSA-N 441.734 5.131 0 40 IKAB CC1CCN(Cc2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3n2C)CC1 26121046 QABWUEDGPRMPTF-UHFFFAOYSA-N 448.611 5.120 0 40 IKAB COc1ccc(OCC(=O)Nc2c(C(=O)Nc3cccc(C)c3)oc3ccccc23)cc1 27664482 IHVJUYOSQNDPRJ-UHFFFAOYSA-N 430.460 5.020 0 40 IKAB Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccccc2F)n1 28403853 TWLPHTAVDWIACM-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccc2n1C(=O)c1cccs1 28535392 BEQLSAKOFBGUFW-UHFFFAOYSA-N 430.316 5.533 0 40 IKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)c(Cl)nc2cc1C 35290982 VQPLYKLDXAEKKD-UHFFFAOYSA-N 448.929 6.273 0 40 IKAB CCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639818 RMNQOXZJMYNVBP-UHFFFAOYSA-N 427.439 5.029 0 40 IKAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 40145439 JTNFYKWVHZIWMJ-UHFFFAOYSA-N 449.860 5.304 0 40 IKAB Cc1nc(C)c([C@H](C)NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 40157037 STYPBZOJJKDCAT-ZDUSSCGKSA-N 425.583 5.305 0 40 IKAB COc1c(CC=C(C)C)c(O)c2c(=O)c(-c3ccc(O)cc3O)coc2c1CC=C(C)C 49181553 FHDKXSPEYWLIGA-UHFFFAOYSA-N 436.504 5.603 0 40 IKAB biogenic,in-vitro O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccccc3F)sc2c1 59417539 KBMOITMPEBZIJA-UHFFFAOYSA-N 438.505 5.678 0 40 IKAB Cc1ccccc1Cn1cnc2sc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1=O 67260322 OAYFPJACAHZWNM-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349871 AGCVXJSDKZIWPH-KRWDZBQOSA-N 445.510 5.476 0 40 IKAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c12 95478663 YLLQWECEAVUPPH-OAHLLOKOSA-N 428.410 5.025 0 40 IKAB CC(C)(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 101472949 XEVKWAVTQJYFCZ-WTYVLRPYSA-N 440.562 7.752 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102717186 QNLQEZCOMBQHPE-QRVBRYPASA-N 445.327 5.106 0 40 IKAB ClC1(Cl)C(Cl)(Cl)[C@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12 104126939 DCBAITJOIHSJDW-WOJBJXKFSA-N 436.165 6.565 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)c(Br)cc1O 106707270 KMKSEFJUCAQGIQ-NVMNQCDNSA-N 448.338 5.098 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)[C@@H]2O 118914038 KUZBETODCMAEND-UPVZVMQFSA-N 444.562 5.966 0 40 IKAB CC1=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]43)[C@@H]2C1 118914391 RJQCTQMDJCNDGK-RKZZQTKVSA-N 428.657 6.104 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 223103560 FKEGFGNXTHVCCA-VWLOTQADSA-N 425.016 5.698 0 40 IKAB C[C@@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 223108811 VIWXIEIXYRKNNY-VXGBXAGGSA-N 445.744 5.026 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223123095 GSFNPNMTJHBWEE-XMMPIXPASA-N 434.967 5.006 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223193415 WYKRVLQUUUENCI-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 223266621 XAELAQGQLQBPPT-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 223402683 OKQDQIFWZKHEDA-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB Cc1ccccc1CN(C(=O)CCSCc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223782687 FQWYVCWJFSAXBG-NRFANRHFSA-N 438.637 5.094 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223865303 MYQYPBGJVCUZGW-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225269698 ZENOVSCFJXGLIB-ROUUACIJSA-N 449.422 5.485 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225342624 FFNBTKAHPWPJOX-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225608341 PZHBQOQUXFUAEK-CVDCTZTESA-N 429.004 5.221 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C 225628721 DMQWJCDALLRQOH-NSOVKSMOSA-N 427.588 6.245 0 40 IKAB CC(C)CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225730063 JGQLJJHWNZQZMN-MHZLTWQESA-N 442.603 5.032 0 40 IKAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 226338641 PFOWLCSPYWWUQZ-HWKANZROSA-N 426.687 5.370 0 40 IKAB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 226769466 ICKJUMCCJUXRFX-UHFFFAOYSA-N 428.213 5.190 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257344541 ZXSOYQJKBVJANC-NRFANRHFSA-N 431.530 6.120 0 40 IKAB Clc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)c(Cl)c1 408613098 XLBZOUMZDYTPCH-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@@H]2c2ccccc2)c1 408680584 ICDQPMFHKZJVKO-MUUNZHRXSA-N 432.523 6.608 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(Cl)c2)c1 408697638 IWLGYEHVNHEOLK-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(NCCSCc1cccs1)c1ccc(CSc2ccc(Cl)cc2)cc1 408907225 MZRRETZIOYXVJS-UHFFFAOYSA-N 434.051 6.357 0 40 IKAB CCCc1sc2nc(SCCCc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C 409109897 NPFFUZUPXWUMQA-UHFFFAOYSA-N 448.657 6.741 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 409111537 AWJNYJLBYZPDRL-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB O=C1NC(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccc(Br)cc23)S1 409136600 XSPCISPCMMGPRE-IDUWFGFVSA-N 447.741 5.429 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 409174977 XAFMGVAXADOWPX-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)cc3Cl)n2C)cc1 409200900 TUQUMJMJGFRTLO-RFBIWTDZSA-N 432.976 6.432 0 40 IKAB Clc1ccc([C@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 409206558 PKKYQIKRSJCSJH-JOCHJYFZSA-N 432.936 5.610 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OC)c(OCC)c2)C1=O 409214431 VERFUPRRZLSJRB-PTNGSMBKSA-N 428.348 5.083 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]12C 585656247 MNVMNXXLQFRDCC-ABTCMNIQSA-N 446.760 7.466 0 40 IKAB O=C(c1ccccc1F)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845557 BSTAQQGJBREYNB-INIZCTEOSA-N 434.902 5.209 0 40 IKAB C[C@@H]1CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2[C@@H]1C 2061001036 XUARCIYIVXVTAE-JAFGUIKCSA-N 442.728 6.997 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)c3n2)cc1 648985 LLUNOZNNTSZDMB-GKVSMKOHSA-N 438.522 5.683 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 674327 WXAOCTBZBNFPPE-LRDDRELGSA-N 440.809 5.051 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)c3)nc2c1 679790 PDNRMSRZWWVJQE-UHFFFAOYSA-N 429.867 5.290 0 40 IKAB S=c1oc(-c2ccccc2Br)nn1CNc1ccc(Cl)c(Cl)c1 819693 GNCPIHUNIYIKON-UHFFFAOYSA-N 431.142 6.011 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 883855 FAJBKXAECUVIAT-UHFFFAOYSA-N 431.439 5.096 0 40 IKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2cccc(Cl)c2C)n1 888753 HOXPUMMPFKTRPC-UHFFFAOYSA-N 440.981 6.533 0 40 IKAB CC(=O)c1ccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 918019 VZRFSOCVTDNWAZ-UHFFFAOYSA-N 435.427 5.079 0 40 IKAB CCc1ccc(Oc2coc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3c2=O)cc1 950746 JBKPMCBLNWMROT-UHFFFAOYSA-N 446.455 5.384 0 40 IKAB COc1cc(/C=C/C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1ccccc1 951468 HYOLGIMNIYXXDW-JLHYYAGUSA-N 430.529 5.844 0 40 IKAB O=C(N[C@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1059838 LVLKSARGTZIDFB-IBGZPJMESA-N 433.722 5.757 0 40 IKAB O=C(COc1ccccc1)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 1298868 NMXVZZKXWSYLCC-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB CC[C@@H](C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)c4)n3)ccc21 1366805 NOGHOYIGDORKCB-OAHLLOKOSA-N 435.549 5.006 0 40 IKAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 1408314 OSHLORLDRCVVKA-FYJGNVAPSA-N 448.906 5.021 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c(C)c1 1838846 FTJZUNBVEVURQB-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccc(Cn2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2247841 FGYQBSMDZQUJDE-UHFFFAOYSA-N 445.320 5.466 0 40 IKAB CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CC[C@@H](C(C)(C)C)C3 2314746 PTLSAMOTMCGSGM-CYBMUJFWSA-N 426.651 6.987 0 40 IKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(C)cc1)C(=O)C2 2402131 AKTSCGDUUPTRRN-MHZLTWQESA-N 431.532 5.480 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2ccccc2)cc1 2652886 SZCUIDREADVYOV-UHFFFAOYSA-N 435.505 5.005 0 40 IKAB Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCCO5)cc1 2688839 NVJLZQVDIBINLG-UHFFFAOYSA-N 445.881 5.815 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 3264269 FOYFVJNNQBAPBX-UHFFFAOYSA-N 428.351 5.759 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)c2ccc(Br)s2)s1 3295032 LIUGTYRLGGLNLO-UHFFFAOYSA-N 440.413 5.698 0 40 IKAB aggregator CCc1cccc(C)c1NC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 3322924 WYGUTCPNYYPQKR-UHFFFAOYSA-N 435.574 5.253 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1 3448821 VZDRKNPOKZVKLD-UHFFFAOYSA-N 429.910 5.535 0 40 IKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4561815 NTPVNNGNFGYPRG-WMBPSLEXSA-N 426.604 7.212 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 6089981 JPMONXUBQBYSQP-UHFFFAOYSA-N 447.560 5.227 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 6135819 AUZAHPAQTFITLD-UHFFFAOYSA-N 432.524 5.233 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccnn1CC1CCCCC1 8394117 OUCNQCMWMWKCCT-UHFFFAOYSA-N 425.558 5.008 0 40 IKAB C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c4ccccc43)c2C1 8439282 LARANPFIXPUHNA-KRWDZBQOSA-N 447.600 6.809 0 40 IKAB CC1(C)CC(=O)c2c(oc3c(Cl)cc(NS(=O)(=O)c4ccc(Cl)cc4)cc23)C1 8606280 DAMBNYUXAOFCSR-UHFFFAOYSA-N 438.332 5.696 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2c(C)cc(C)cc2C)c1 8614154 AKEADVBGXCJSLS-UHFFFAOYSA-N 447.604 5.915 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C(=O)c4ccc(Br)cc4)Oc4ccccc4[C@H]3C2)cc1 8809421 ZSHJBMJNDPORCZ-ZJSXRUAMSA-N 447.332 5.510 0 40 IKAB Cn1ccnc1[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 9057974 UPXUPHYTDUYMDV-XMMPIXPASA-N 431.923 5.025 0 40 IKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1cccc(Br)c1 9136266 DIZIQLGSHQBQLK-UHFFFAOYSA-N 435.321 5.181 0 40 IKAB Cc1cc(C)nc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 9142399 QBNRNGLSSJMHGA-VQHVLOKHSA-N 447.347 5.187 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCC2)cc1 9204248 ISVUCMPASVYGFN-NRFANRHFSA-N 426.944 5.279 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccccc1 9485284 ABORDLYOKATWSZ-UHFFFAOYSA-N 430.533 5.488 0 40 IKAB O=C(Nc1ccc(-c2csc(NC(=O)c3ccc(F)cc3F)n2)cc1)c1ccccc1 9641615 PKIIEMNZNMMCBM-UHFFFAOYSA-N 435.455 5.593 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1cc(F)ccc1F 9835075 JKLNONCNFOTWPO-LBPRGKRZSA-N 439.491 5.159 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1C 9957784 BMZAILOZGRQCPV-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)o1 12177514 QGOJWORTAZTWHI-UHFFFAOYSA-N 433.489 5.268 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)C1=Cc2cc(Br)ccc2OC=C1 12274580 SRRMXPJWDIVIFL-UHFFFAOYSA-N 439.334 5.425 0 40 IKAB CCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12420106 UBKTWKXGFRZWRB-VWLOTQADSA-N 431.923 5.412 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(Br)cc32)cc1 12486423 XGHIZURPARCQRH-UHFFFAOYSA-N 434.337 5.590 0 40 IKAB C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12819974 GMTSBLUBYCPENM-SJORKVTESA-N 429.589 5.942 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccc(F)cc2)C(=O)C(C)(C)O3)cc1 12875788 FZLJWSPUCIDPKQ-UHFFFAOYSA-N 446.522 5.906 0 40 IKAB O=C([C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1)N1CCCC1 13113006 MEXZKPAWKLFOBF-OAQYLSRUSA-N 446.601 5.452 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 13127378 HQSMPVDUIMHGBV-UHFFFAOYSA-N 448.519 6.137 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccnc2)c1 13283345 ZONDVNBWCHUTNO-UHFFFAOYSA-N 444.604 5.630 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 13568045 RRSPJVHNDHCCAV-UHFFFAOYSA-N 429.863 5.957 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@@H](C)Oc1ccccc1Cl 13870832 VNGRTCODBJGKRW-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c2ccccc21 13942471 VDXSXCLKNDTBPO-NFQMXDRXSA-N 440.518 5.709 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(C)cc3)nc2cc1C 14272692 LSZSUKPXTSPEKX-UHFFFAOYSA-N 441.318 5.605 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)ccc1OC(F)F 14583192 HXBADGXRIADWGK-UHFFFAOYSA-N 429.448 5.315 0 40 IKAB COc1cc(C(=O)NC[C@H](SCc2ccccc2)c2ccccc2)cc(OC)c1OC 16195219 BOKUJBNYGKNEGN-QHCPKHFHSA-N 437.561 5.117 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195496 DRADFOVDNNJCHM-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@@]3(O)C(F)(F)F)n2)cc1 16957569 SNXRDYREUBKUGY-LAUBAEHRSA-N 429.467 5.156 0 40 IKAB Cc1cc(C)cc(-n2c(S[C@H](C)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)c1 17010965 DSFXIJXNUHLWSM-GOSISDBHSA-N 425.557 6.337 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 19236830 GRWXCKRXPOPWKB-NLFFAJNJSA-N 435.518 5.052 0 40 IKAB CCOc1cc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)ccc1OC 19531966 DWZPCKDIPKAXEQ-MRXNPFEDSA-N 449.473 5.337 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)s1 19632227 VXGXKPBCEDMZSK-JGWIZLHMSA-N 440.565 5.199 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)c1 19634515 GVDWGHRVQWBIEB-IRXDYDNUSA-N 441.549 5.203 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 19636622 DOWCEIOLLCYUFZ-GOSISDBHSA-N 442.559 6.951 0 40 IKAB COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\c3ccc(C(C)=O)cc3)n2)cc1 20131701 LQXUNSJMWQHKLN-RFBIWTDZSA-N 437.455 5.593 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 20528427 JLGIOLGRSWTLIT-UHFFFAOYSA-N 427.456 5.278 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N2CCC[C@H]2c2cccnc2)c2cnn(C(C)C)c2n1 22423977 YOGPCEVRFHMLGO-DEOSSOPVSA-N 425.536 5.360 0 40 IKAB CCN1CCC[C@@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 22936841 BANBPNNLXARKHO-LJQANCHMSA-N 437.809 5.255 0 40 IKAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 23362550 HWHBDLHRSDBJQT-FQEVSTJZSA-N 445.588 5.146 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 24751768 OSGUSINHLBYOSS-JOCHJYFZSA-N 447.604 5.211 0 40 IKAB CC(=O)N1CCc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4o3)ccc21 32722099 IGDORFZYNDDAPD-UHFFFAOYSA-N 443.528 5.281 0 40 IKAB CCc1ccccc1NC(=O)Nc1ccc(CC2=NCCc3cc(OC)c(OC)cc32)cc1 33408100 ANFUCONBIBSASX-UHFFFAOYSA-N 443.547 5.498 0 40 IKAB CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N(C)C)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@@H](C)OC(C)=O 33903729 AYSBIMSATXNCSF-HWDCVNTKSA-N 447.660 5.070 0 40 IKAB biogenic,in-man CC[C@H](C)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 35362043 ZFQOPFFVZAMZSD-NSHDSACASA-N 437.417 6.848 0 40 IKAB Cc1sc(=O)n(CC(=O)OC2c3ccccc3-c3ccccc32)c1-c1ccc(F)cc1 40129197 SZTOYERJTBTSAD-UHFFFAOYSA-N 431.488 5.338 0 40 IKAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005456 VQSKDXMYFMKLQW-UHFFFAOYSA-N 439.357 5.316 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)cc1 50011322 MGZKPMKNQSJING-UHFFFAOYSA-N 426.630 5.377 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@@H](C)CC5)o2)c1 58162736 DBTYQBHLOLWNTL-QWHCGFSZSA-N 437.594 5.610 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 58245993 MTLFBEVNYQYLJF-IRXDYDNUSA-N 448.523 5.172 0 40 IKAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@@H](Sc1ccccc1)c1ccccc1 60248479 VOBAPIYWRRQYHX-DEOSSOPVSA-N 432.589 5.853 0 40 IKAB Cc1cc(CNC(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)on1 61771528 YXELXRFAAPVZBG-UHFFFAOYSA-N 445.248 5.015 0 40 IKAB COc1cc(CNCCc2nnc(-c3ccccc3)o2)ccc1OCc1ccc(Cl)cc1 72310926 HSWLZQPEEMIEFE-UHFFFAOYSA-N 449.938 5.310 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2Cl)nc1-c1ccccc1 95348749 KYWKDHYMOHUUFW-SJORKVTESA-N 434.952 5.606 0 40 IKAB C[C@@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@@H](C)O1 95957195 PSVNWGQGOJNVSA-NXEZZACHSA-N 449.165 5.561 0 40 IKAB CCN(CC)C(=O)C[C@@H]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)Oc2ccccc21 96243249 FDFOVFULAYTANN-OAQYLSRUSA-N 449.595 5.186 0 40 IKAB FC(F)(F)c1ccc(-c2noc(-c3ncn4c3CO[C@@H](c3ccccc3Cl)C4)n2)cc1 97077554 VPQJMYTYPUUJHY-QGZVFWFLSA-N 446.816 5.544 0 40 IKAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 218992744 JYRAXMDSHCSKOQ-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750476 JGZUOGKTRUTZFC-SFHVURJKSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 223305884 COWJWFKIRMTNBW-ZTCOLXNVSA-N 438.641 5.157 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223361478 LYQXCVWAHHZADN-NRFANRHFSA-N 447.044 5.295 0 40 IKAB Cc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C(C)C)c(C)c1 223929829 XWHGKTQGSOTTSG-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COc1ccc(C)cc1 224471107 RQDQOKLCWPOCFL-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 224508880 CNOVVSUZHPZJOJ-NRFANRHFSA-N 435.395 5.096 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1C 224614621 AZJNBVNXBIWLCP-LOSJGSFVSA-N 440.572 5.372 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1CSc1ccc(Cl)cc1 224670908 MXNKVBNCHKDFSC-UHFFFAOYSA-N 425.981 6.004 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccn3C)cc2)cc1 224711693 PDXBXCOCGFKZHM-DQEYMECFSA-N 440.572 5.698 0 40 IKAB CCCCOCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)ccc1OCC 224727835 MOTAVHZTJWISHW-UHFFFAOYSA-N 429.866 6.327 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 224985665 PRWJQBBJGXCEKQ-KRWDZBQOSA-N 436.939 5.627 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225040453 PWSGRMKJIDNLGN-LEWJYISDSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225488033 WPCZUFMIYOMRMF-RLWLMLJZSA-N 430.592 5.495 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 225642694 QSUROPPTMCFZGA-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225720629 ODMINAHKIUFLCJ-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCOc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)cc1 225937429 ZQIJBSBPFVEOTB-UHFFFAOYSA-N 435.567 6.561 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609457 SFKSZNDXMPANHH-DODVTEIESA-N 444.700 7.030 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)cc1C 257200110 ACAUCOQODBEYCH-HXUWFJFHSA-N 434.605 5.215 0 40 IKAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 408647513 UEQJOCYZLLDAFA-QGZVFWFLSA-N 428.463 5.075 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409090675 NDAQJRUYMDFGSV-UHFFFAOYSA-N 439.511 6.709 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)cc(Br)c1O 409095786 JERXLKMBSZZORT-MLPAPPSSSA-N 427.117 5.003 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 409103093 AKLCMLBIZPBEFC-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB O=C1N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1ccc(Cl)cc1 409167451 LJUWMVGKBLCUGP-LDADJPATSA-N 431.801 5.247 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)c1 409182640 MGDSCFLYLRGPGC-NDEPHWFRSA-N 436.507 6.355 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409203397 VZRVRYIEHYKWOC-MOHJPFBDSA-N 431.557 6.298 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 409242784 TVYINSUDVHBZSZ-ODLFYWEKSA-N 427.287 5.655 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(F)(F)F)cc3)C2=O)cc1 409345858 LWXSXZFDDDRSFE-WQRHYEAKSA-N 448.466 5.504 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c2ccccc12 409360875 OVDCQICDVZXVJL-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CCN1CCCCCCCN(C(=O)C2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583391 SHEXBCMWIOPLGB-VWNXMTODSA-N 426.601 5.041 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1cccc2ccccc12 1615056233 WADRGKUSGUGSIB-HXOBKFHXSA-N 442.481 5.109 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 648276 GNMQXMTUYHIOJL-UHFFFAOYSA-N 434.565 5.248 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cc(I)ccc1Cl 855723 TUNAKDCTLOWHIP-UHFFFAOYSA-N 426.468 5.504 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 866864 RRBJRSVJBNKOIJ-YPMHNXCESA-N 445.228 5.696 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cccc(C)c2C)c1C 871216 QNWKFSSHWQMPEQ-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1)Nc1ccccc1 917130 DVEQMRZVUBXJFS-UHFFFAOYSA-N 434.952 5.242 0 40 IKAB Cc1oc(C(=O)Nc2ccccc2)cc1CSc1ccccc1C(=O)Nc1ccccc1 1059860 AZOVFLKYVZGMTK-UHFFFAOYSA-N 442.540 6.385 0 40 IKAB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)COc1cc(Cl)ccc1Cl 1744238 PJWBHLCWCDULIO-BQYQJAHWSA-N 429.299 6.157 0 40 IKAB CCOc1ccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)cc1OC 2121157 WFVCCDNZSAOKJZ-UHFFFAOYSA-N 443.547 5.853 0 40 IKAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3c(F)cccc3Cl)c(C)c2oc1=O 2150444 ODDQSVPSXAAJLH-UHFFFAOYSA-N 432.875 5.277 0 40 IKAB biogenic CC(C)c1ccc2oc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nc2c1 2314031 YQNCANDYTKVWTR-UHFFFAOYSA-N 446.959 7.739 0 40 IKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1F 2380204 QRAKUKZKAKDXCX-NGQVCNFZSA-N 426.472 6.031 0 40 IKAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2415426 KCJYQLGUHSFDIF-HRFSGMKKSA-N 430.312 5.717 0 40 IKAB COc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1Cl 2629884 UCMTXAJZZJNSKK-RVDMUPIBSA-N 433.938 5.194 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1 2693389 IVORSMXIHLJNHG-UHFFFAOYSA-N 441.462 5.518 0 40 IKAB CC1=C(C)SC(=c2sc3n(c2=O)[C@H](c2ccccc2)C=C(c2ccc(C)cc2)N=3)S1 3192613 SKJZXGBFYINVQM-FQEVSTJZSA-N 448.638 5.279 0 40 IKAB COc1ccc(Nc2oc(-c3ccccc3Cl)nc2S(=O)(=O)c2ccccc2)cc1 3254643 SVZNCPQHVLGJAI-UHFFFAOYSA-N 440.908 5.580 0 40 IKAB O=C(c1ccc(Cl)cc1)c1ccc(OC(=O)c2ccccc2Nc2ccccc2)cc1 3417945 MSACTAXXMKHRMI-UHFFFAOYSA-N 427.887 6.534 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCc2nnc(-c3ccccc3Br)o2)c1 3474331 DEUBMVZRVPYELR-UHFFFAOYSA-N 439.718 5.231 0 40 IKAB CCCCCN(CCCCC)CCCCCCCCCCN1CCCc2ccccc21 4366813 MPWWHCUQGPDQNO-UHFFFAOYSA-N 428.749 8.242 0 40 IKAB COc1ccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(F)(F)F)cc3)oc2c1 4422346 RTNKQZOHOJCJGR-FAJYDZGRSA-N 438.405 5.945 0 40 IKAB c1ccc(COc2cccc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)c2)cc1 8397623 NROMPVSVWHCGPF-LMSSTIIKSA-N 432.523 6.508 0 40 IKAB Cc1cc2cc(N(C(=O)c3ccccc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1 8439303 GBSSHHZNGYOCDB-UHFFFAOYSA-N 433.529 5.702 0 40 IKAB Cc1ccc(C(=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)sc3nc(C)cc(C)c23)cc1 8590724 QRUBIJMNLCAABU-UHFFFAOYSA-N 443.572 6.343 0 40 IKAB c1ccc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@@H](c3ccccc3)C2)cc1 8694704 KVYMKQNZVQXAJO-HHHXNRCGSA-N 431.564 7.319 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 8708598 YCHYMRAZMZKAAQ-GFCCVEGCSA-N 433.327 5.261 0 40 IKAB Cc1csc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)n1 9116638 DUMMICOUSUFOCT-UHFFFAOYSA-N 439.591 5.071 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(Cl)s3)nc3ccccc3c2=O)cc1 9460912 TYXUJCBYWKKJDJ-UHFFFAOYSA-N 442.949 5.084 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 9464328 ABLQXYWQPGYHON-MRXNPFEDSA-N 449.507 5.574 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4ccc(Cl)cc4)c(=O)c23)s1 9464935 DBXKXTNKXZJPHN-CYBMUJFWSA-N 443.981 5.026 0 40 IKAB Cc1nnc(SCC(=O)N[C@H](c2ccccc2)c2cccs2)n1C1CCCCC1 9477264 BMFQICBBVBUAND-OAQYLSRUSA-N 426.611 5.151 0 40 IKAB Cc1ccccc1-c1cc(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2o1 9572641 AJLGSTQUWRWCFT-UHFFFAOYSA-N 425.893 5.223 0 40 IKAB biogenic Cc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)cc1Cl 9581275 DJDULOXBECBEQG-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)c1cc(C)n(C)c1C 9609333 VSPVSERDMIUOHI-UHFFFAOYSA-N 442.515 5.318 0 40 IKAB C[C@@H]1Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O 9639965 FJODPEQYKBGXLQ-HNNXBMFYSA-N 441.512 5.449 0 40 IKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc2o1 9660217 MCESVOQAXHANBL-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic COc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 9668169 WJNAGXWPWXPDOR-UHFFFAOYSA-N 426.472 5.311 0 40 IKAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccc(Cl)cc2)cc1 9679095 IKKGALNFMJPEFT-JOCHJYFZSA-N 429.863 5.178 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCCC2)cc1 9951224 ZQJUMTWXEZJJED-UHFFFAOYSA-N 442.972 5.501 0 40 IKAB CCN(CC)C(=O)CSc1nc(-c2ccc(C)cc2)nc2c1Cc1cc(C)ccc1O2 9955174 IJQMAHFMFRBABF-UHFFFAOYSA-N 433.577 5.417 0 40 IKAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 12528725 KLQQDBUUVTXAQW-HSZRJFAPSA-N 441.531 5.142 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccc4c(c3)NC(=O)CO4)n2C2CCCC2)cc1 12533328 FUWUJTDESZKYNG-IZHYLOQSSA-N 435.549 5.294 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cccc(C(F)(F)F)c1 13041521 SNYUTNQSAUTEQO-UHFFFAOYSA-N 437.414 6.002 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 13113074 JRYOGFZPJRKEDU-ZIAGYGMSSA-N 425.485 5.502 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2F)s1 13120573 HXHXSLQEZFFNDU-UHFFFAOYSA-N 426.498 5.185 0 40 IKAB CCOC(=O)[C@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(C)cc4)nn23)C1 13562702 CMMVAYGKHXLYBL-QFIPXVFZSA-N 440.547 5.151 0 40 IKAB Cc1cccc(N(CCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 13847424 QVTOAWSMZNLQOI-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c(C)c1 13893203 AJYAEZMGMMVQDL-AREMUKBSSA-N 433.935 5.007 0 40 IKAB Cc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 13936076 MAWUNROUVDIEDC-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB COc1cccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)c1 13960572 MRBHKSWBSXMRDV-UHFFFAOYSA-N 447.376 6.653 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)CCCC2 14180307 XJRVIFHGRIAAAJ-HNNXBMFYSA-N 438.622 5.190 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 14634534 PWJRGUUCDMFLFM-UHFFFAOYSA-N 446.498 5.395 0 40 IKAB COc1ccc(Nc2nc(Nc3ccc(OC)cc3)nc(Nc3ccc(OC)cc3)n2)cc1 14922856 UDVGZSXPQRYXKY-UHFFFAOYSA-N 444.495 5.128 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 17097138 JJZLTTVLHNPPAJ-KRWDZBQOSA-N 430.573 6.803 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 17097850 BEDLJBGCBOWWOO-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1cccc(F)c1 17099397 MKCZRVDIVKZXPY-FNORWQNLSA-N 435.307 5.919 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1 20152874 XOABBPGSSVRZGT-UHFFFAOYSA-N 438.549 5.053 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 24843414 OYOMQARXXLVTDW-AREMUKBSSA-N 429.564 5.868 0 40 IKAB O=C(NCCc1cccc2cccnc12)c1ccccc1CSc1nc2ccccc2o1 29454355 KKFICHDEMMZQAA-UHFFFAOYSA-N 439.540 5.641 0 40 IKAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNc4ccccn4)C=C3C)o2)cc1 30883332 GVODQICXKIBFIW-FUDKSRODSA-N 432.568 5.649 0 40 IKAB biogenic,in-vitro CC(=O)c1cccc(NC(=O)Nc2c(C)nn(COc3cccc(C(F)(F)F)c3)c2C)c1 32610204 CGUJNPYXTDGNLT-UHFFFAOYSA-N 446.429 5.402 0 40 IKAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(Br)cc3Cl)cc2)n1 32907903 PSODGVWWVDBABC-UHFFFAOYSA-N 438.734 5.339 0 40 IKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3c3ccc(C)cc3)c3ccccc3n2C)cc1 34887829 FTYUGJVPOBOKEE-PMERELPUSA-N 442.562 7.212 0 40 IKAB Cc1ccn(-c2ccc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4-c3ccccc3)cc2)n1 36617057 BJNJALCQEAWEKQ-UHFFFAOYSA-N 448.530 5.353 0 40 IKAB O=C(N[C@@H](Cc1ccc(Cl)cc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 40710592 LTGUFIDCGQXZES-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB COc1cccc(NC(=O)CSC2=Nc3ccccc3N=C(c3cccc(OC)c3)C2)c1 44166919 STWPCIFBZSCIKZ-UHFFFAOYSA-N 445.544 5.630 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Cn2ccnc2)cc1 44918009 XTPKTTJLJGBCFK-UHFFFAOYSA-N 433.964 6.129 0 40 IKAB CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccc(C)cc2)no1 46012168 QMNCZNGRHADVEN-UHFFFAOYSA-N 429.476 5.128 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1CCc1cccs1 57473451 NQBYTQKPWBKAOP-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB O=C1/C(=C\N2CCCc3ccccc32)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 57638427 HASNBBUJWFRTQB-JWGURIENSA-N 448.444 5.686 0 40 IKAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1[nH]c2ccccc2c1Br 58202596 JWCSHTDROBPQSQ-UHFFFAOYSA-N 438.325 5.290 0 40 IKAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)c3ccc(F)c(F)c3)c12 58378158 YNOGFKHXQGLHHG-UHFFFAOYSA-N 447.363 5.772 0 40 IKAB O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1c1ccc(Cl)c(Cl)c1 59483700 KOFRCGSUUVOLBB-IBGZPJMESA-N 448.147 6.527 0 40 IKAB CCn1c(C)nc2cc(NC(=O)c3sc4ccccc4c3[C@H]3CCN(C(C)=O)C3)ccc21 72352589 PFLOASSLJDXEOH-KRWDZBQOSA-N 446.576 5.167 0 40 IKAB COc1cccc(C(=O)Nc2ccc(NCc3ccccc3)c(Cl)c2)c1OC(F)F 78452105 LNHNCIIGZAFWPE-UHFFFAOYSA-N 432.854 5.814 0 40 IKAB Cc1c(-c2ccc(Cc3ccc(OC(F)(F)F)cc3)cc2)[nH]c2cc(Cl)ccc2c1=O 84652193 GGVLPENGSGQOOU-UHFFFAOYSA-N 443.852 6.646 0 40 IKAB in-vitro O=C(Nc1cccc(F)c1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037432 AIKNAFGOJJIHNV-UHFFFAOYSA-N 425.467 5.177 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cs1)c1c(C)cccc1C 96634907 QGTUGUWCDDMCDU-UDWIEESQSA-N 431.517 5.097 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 222628006 ZZADBFJWXGUHMA-UHFFFAOYSA-N 426.825 6.826 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223807741 UHEOGYSCPCVHII-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224074318 QTJYMFKUQAEEOX-JOCHJYFZSA-N 449.422 5.302 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224309311 KDBNOEWETFOWCV-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224311472 BLXHQHAQFQGBMC-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)c1 224846174 QMFCYFONSGKVBK-UHFFFAOYSA-N 425.699 5.882 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c(C)c1 225056362 MFNUCNQDQXIFLX-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225162709 YFCKQWPZYRRANB-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225551294 GYHNFYQUDHUANY-XXBNENTESA-N 429.004 5.303 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1Cl 225810899 ZWHAJKVKLWYBDF-UHFFFAOYSA-N 434.964 5.454 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1)C1=CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]1(C)CC3 254350689 QZSOQOOFGQQOKW-ONZUKKLCSA-N 438.696 8.046 0 40 IKAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)cc1 257332774 XYOQOPMLMWJKGT-FQEVSTJZSA-N 429.520 5.084 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(C)c(Cl)c2)cc1Cl 408555593 HIQKYLQGFDBMOZ-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 408648049 WYOHUXRZPONCHA-UHFFFAOYSA-N 428.463 5.399 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Br)cc1 408677858 RYUQQJMOBFERPD-UHFFFAOYSA-N 433.305 5.499 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)cc1 408694313 IUBHDGRMJDTBBK-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1sc2cc(Cl)ccc2c1Cl 408847037 SHEOCBHKQAYIMK-UHFFFAOYSA-N 431.296 6.022 0 40 IKAB Clc1ccccc1COc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl 409177886 COQHSBCPGMPRHN-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 409201488 NQFCPILBQRUDQG-UHFFFAOYSA-N 443.016 5.252 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3cc4ccccc4cc3[nH]2)cc1Br 409389833 ATDLUBRHJUJRCG-UHFFFAOYSA-N 426.339 5.518 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(-c3cnc4ccccc4c3)ccc21 643579442 ZCRCTFIIBBJKDB-UHFFFAOYSA-N 429.608 6.429 0 40 IKAB CN1CCCCCCCN(C(=O)CC(C)(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583976 GVWRCHIHLULNTO-VWNXMTODSA-N 442.644 5.678 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cc(OCC)c(OCC)c(OCC)c3)sc2c1 847195 QEDYXKRSDZDNLB-UHFFFAOYSA-N 430.526 5.143 0 40 IKAB CC(C)C[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 943927 LFFACLDHCGAAMI-QGZVFWFLSA-N 438.833 5.008 0 40 IKAB Cc1cccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)c(Cl)c4)cc3C2=O)c1 992852 SRLHJAMZHAYVGC-UHFFFAOYSA-N 440.282 5.459 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1ccc(COc2ccccc2Cl)o1 997587 YGPUSPXDJWJIOA-UHFFFAOYSA-N 445.327 6.541 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 1584267 IXUADUJVACNDMV-FCDQGJHFSA-N 430.507 6.113 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c(C)c1 1852825 IBJDGPYXFMRADW-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(c1cc(Cl)cc(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2027455 JLJSWXFEBFRZEC-UHFFFAOYSA-N 440.273 7.455 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12 2079286 REAALWBDFYITQC-UHFFFAOYSA-N 429.560 6.722 0 40 IKAB CC(C)c1ccc(-c2nc(C(=O)NCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 2120287 WEOMORNCARFJNJ-UHFFFAOYSA-N 433.555 6.479 0 40 IKAB biogenic CCCNC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2410432 QMDRBWTUENMUEA-UHFFFAOYSA-N 425.576 6.168 0 40 IKAB CCOc1ccc([C@@H]2SCC(O)=Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2589477 UFKACIBEKZJPMK-VWLOTQADSA-N 441.556 6.362 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(N4CCCCC4)cc3)s2)c1 2655844 KVPJGDGYTOMWHA-UHFFFAOYSA-N 439.610 5.311 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc(Cl)cc1Cl 2694994 GORHNJAJDAQXCY-UHFFFAOYSA-N 446.384 6.278 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 2704504 OVSCUDONUFCQPC-NRFANRHFSA-N 435.838 5.037 0 40 IKAB C[C@H](CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2731158 HURYXKUDWLUZLB-OAHLLOKOSA-N 442.441 5.101 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 2737226 ZUZBRSHBRVJLAO-KGLIPLIRSA-N 435.973 5.417 0 40 IKAB CCOc1ccc(/C=C2/N=C(c3ccc(C)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 3146463 ZRSUXTHEYUQSJO-XIEYBQDHSA-N 426.516 5.627 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccccc2OC(F)F)cc1 3322287 ZCCHOCKPEDTTEX-UHFFFAOYSA-N 439.462 5.153 0 40 IKAB Cc1ccc(CNC(=O)C2CCN(Cc3ccc(OCc4ccccc4)cc3)CC2)cc1 4700407 ZOLLOIOFMNJGQR-UHFFFAOYSA-N 428.576 5.102 0 40 IKAB Oc1ccc(Br)cc1-c1nc2cnccn2c1Nc1cccc(C(F)(F)F)c1 4763344 AZDLLDYLLPYFSS-UHFFFAOYSA-N 449.230 5.627 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 5950093 ACCPATVSLMPXHQ-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 8831906 LRDQMCPOGHECRO-UHFFFAOYSA-N 441.314 6.841 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 9191733 KGRANHCYKOMZQC-HSZRJFAPSA-N 444.918 6.023 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1ccc(F)cc1 9222092 UYBBLEZMCXHETI-UHFFFAOYSA-N 439.487 5.456 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCN=C1SCc1ccccc1 9381030 SKQCHJZPYPYLLB-UHFFFAOYSA-N 432.389 5.469 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 9426282 KSPHOBRIEPBBCA-DEOSSOPVSA-N 445.360 6.553 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 9450933 LKQUJEYSMGDJAM-UTKZUKDTSA-N 447.966 5.579 0 40 IKAB NC(=O)CCN(Cc1ccccc1)C(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 9454142 VYVQTZXUUWHXKV-UHFFFAOYSA-N 438.980 5.150 0 40 IKAB COc1cccc(NC(=O)[C@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 9512400 HVGZKCYEEYWCPF-HSZRJFAPSA-N 444.560 5.116 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1F 9633040 ZUYHLYWBIYSEHL-UHFFFAOYSA-N 428.489 5.005 0 40 IKAB CCn1c(SCC(=O)c2ccc(Br)s2)nnc1-c1cccc(Cl)c1 9823006 SKUCJQRBESABHA-UHFFFAOYSA-N 442.791 5.417 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1Cl 9944294 IPQDCVODCRUOJZ-UHFFFAOYSA-N 443.359 5.767 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)c1 10112442 ZZCXZJNYNCNTAP-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 10434547 CEFIDCFMTGIGDU-HSZRJFAPSA-N 426.545 5.607 0 40 IKAB N=C1S[C@@H](Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc23)s1 11692941 QLTNIGLDLZVWSU-NRFANRHFSA-N 429.570 5.513 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccc(OCC(F)(F)F)cc2)cs1 11984430 VALLBWUVVMTDIS-UHFFFAOYSA-N 436.455 5.331 0 40 IKAB Cc1ccccc1/N=c1\scc(-c2ccc(Cl)cc2Cl)n1[C@@H](C)CCC(C)C 12622272 LRMUXOFKCSVCFN-LTHSRMNQSA-N 433.448 8.061 0 40 IKAB Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(C(C)(C)C)cc2)n1 12955609 IMMCUYPGYDBQPZ-NDEPHWFRSA-N 431.026 6.195 0 40 IKAB Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)NCCc3ccc(Cl)cc3)s2)c1 13010291 GODZZIKOWBTJIS-UHFFFAOYSA-N 428.945 5.030 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCCC(F)(F)F)n2-c2ccc(Cl)cc2)cc1 13016800 SVSFEHXWGZMQEB-UHFFFAOYSA-N 439.934 6.930 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 13057102 RQIZSHRBFCRCBE-GJZGRUSLSA-N 434.989 5.162 0 40 IKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628283 QFAZZVRJLWUMOF-FQEVSTJZSA-N 444.575 6.259 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 13898782 KAZCZINTYFPOIZ-OAQYLSRUSA-N 430.548 5.122 0 40 IKAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 14246354 GRVNMVMDBBWERF-LJQANCHMSA-N 426.607 5.046 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12 16740320 FXACRFQALYHPER-UHFFFAOYSA-N 437.902 5.992 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)c1 16955905 WWUOOFCEVNJWCC-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB Cc1cc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)ccc1Br 17011070 IWYPMFQNZDBFPK-UHFFFAOYSA-N 437.746 5.797 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccc(C)cc3)cc12 17051556 SKWSFLNMJQPJDL-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB Cc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17094329 WHXUAENNZYYLES-UHFFFAOYSA-N 425.363 6.460 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1 17095885 WAKNKHRSJHEKLT-UHFFFAOYSA-N 428.513 5.204 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 19082281 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40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCc3ccc(Cl)nc3)[C@H]2c2cccs2)cc1 22966424 OPDZZPYVVMCCRZ-AVRDEDQJSA-N 440.952 5.333 0 40 IKAB CCCOc1ccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27744619 XEZOHOCEAPFNBP-DEOSSOPVSA-N 428.532 5.527 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)c(C)c2cc1Cl 28289690 AXZPTBIHPWCFCN-NRFANRHFSA-N 426.988 6.033 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC(F)(F)F)cc3)ccc21 33048520 ABNBGULYCNVACT-UHFFFAOYSA-N 434.439 5.514 0 40 IKAB COC1CCN(Cc2ccc(C(=O)Nc3ccccc3SCC(F)(F)F)cc2)CC1 40156704 CPWFSPWXPOAHGU-UHFFFAOYSA-N 438.515 5.204 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 41091590 QASHDUVQKQRAPT-UHFFFAOYSA-N 443.330 5.501 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1C 44086901 VBCWBTZWJSNCMI-UHFFFAOYSA-N 431.355 5.265 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 44949374 SMYNFPMEBNYAJG-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1sc2nc(-c3ccccn3)nc(NCCc3nccn3C)c2c1-c1ccccc1 57265274 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436.340 5.233 0 40 IKAB FC1(F)S[C@@H]2[C@H](C1(F)F)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 102959921 IOTWKLDMBZIDBV-FJRXNLRQSA-N 430.892 5.792 0 40 IKAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@H]1C 107508378 GTPJOUCVMBDGOE-MSZSIXEZSA-N 446.616 5.593 0 40 IKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](NC[C@H](O)COc3ccccc3)CC[C@@H]12 118913079 ULILXULMDVDQAM-HBPNSXOPSA-N 425.657 5.817 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3[C@H]3C[C@]32C1 118936344 WNFPVPRFYINGIO-WYYFOJFFSA-N 428.701 7.649 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 216486113 IYIXVTBZJZVIPH-UHFFFAOYSA-N 443.572 5.282 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 218929007 YXTBDRGFUXQPDY-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 222605801 MCODFFANQSAFPS-RTOPAQNCSA-N 438.021 6.476 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1C(C)C 223349188 HTDQVKLUPLVQPY-IBGZPJMESA-N 443.031 5.870 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223606639 IMOOJEZLGXKNMO-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223792604 VIRZWZSWSPWTRU-DNQXCXABSA-N 432.593 5.574 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223806229 VSRYCIDZONBYOV-HSZRJFAPSA-N 429.004 5.305 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223814232 BIRSBAGJRDBHHR-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223816474 VVHXGSKYIWDVIS-DEOSSOPVSA-N 426.576 5.044 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224199928 VCGPGVMXXREXRL-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 224276703 JLJWPJWUTTYHEJ-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)c1 224314313 UGZADTKQBZIOTO-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB CC(C)(C)c1ccc(OCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 224481763 OSNILHAIJSPDMD-UHFFFAOYSA-N 425.550 5.134 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224528445 AWLSDUBMKSEAEN-RPBOFIJWSA-N 446.620 5.801 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc2ccccc12 224631219 HCIRCNPFSDFQER-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 225644557 GMMJALIYCJNFOY-XXBNENTESA-N 444.616 5.338 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)c(C)c1 225686416 IJRQFAFJBZIHKP-KRWDZBQOSA-N 435.387 5.355 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F 225778371 OLROJBXTHVMUFI-UHFFFAOYSA-N 427.850 5.444 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(Cl)cc2C(=O)O)[C@H](C)c2ccccc2)cc1 257264955 LWQSANHWTKZKIE-GOSISDBHSA-N 437.923 5.515 0 40 IKAB Cc1cccc(Oc2ccc([C@@H]3CCCCN3C(=O)c3cccc(-n4cnnc4)c3)cn2)c1 257330574 XOYQBQZVWPCZME-DEOSSOPVSA-N 439.519 5.130 0 40 IKAB O=C(NC1CCCCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408621429 RVJPDCYZQJDGEL-AREMUKBSSA-N 436.621 5.346 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)Sc1nc2ccccc2o1 408632627 FYIXKQRFWFDSJC-ZDLGFXPLSA-N 441.848 5.657 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2c1 408730419 GEYWCJAHVNGIAX-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 408750614 PKDUGCBOQHHUAE-UHFFFAOYSA-N 444.537 5.380 0 40 IKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cc(Br)ccc4O)C(=O)O3)sc2c1 408838577 GIQSGUHKFXJVCN-MDWZMJQESA-N 448.725 5.676 0 40 IKAB COc1ccc2ccc(OC)c(C[C@@H]3SC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 409145120 MQKJMOYTKDBNAW-FQEVSTJZSA-N 427.909 5.322 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1 409195369 IBRZDHRIADTRPX-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB CCCN(CCC)C(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1cccc(C)c1 409214763 UKGSVNYXADZTJR-UHFFFAOYSA-N 443.638 5.113 0 40 IKAB CCCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409233565 GIJBCXSHAUZRTH-BUVRLJJBSA-N 426.541 6.289 0 40 IKAB COc1cc(Cl)c2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265242 ZQQVOTPHSUNRFA-BVPXEZJJSA-N 430.928 5.299 0 40 IKAB CN1/C(=C/C=C2/C=C(/C=C/C3=[N+](C)c4ccccc4C3(C)C)CC2)C(C)(C)c2ccccc21 685944735 ZCADIPBWDHBZPP-UHFFFAOYSA-N 435.635 7.207 0 40 IKAB CCOc1ccc(CC2=NCCc3cc(OC(C)C)c(OC(C)C)cc32)cc1OCC 597672 APMMVXSVJLZZRR-UHFFFAOYSA-N 425.569 5.646 0 40 IKAB in-man O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1Br 826453 HUFLCDCMAPLRGU-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 843541 QIPZVDQHCSKCMN-XZOQPEGZSA-N 430.870 5.283 0 40 IKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl 846105 KSQKVYLTOBWAEI-UHFFFAOYSA-N 428.275 5.523 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)c2ccco2)cc1 868792 ATGYVSWQBDXTNE-FQEVSTJZSA-N 433.323 5.139 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 874569 SZMMIEBQDWNXBT-UHFFFAOYSA-N 446.551 5.078 0 40 IKAB Cc1sc2ncnc(SCC(=O)N3c4ccccc4CCc4ccccc43)c2c1C 929247 GALPDSFGVVVNLF-UHFFFAOYSA-N 431.586 5.864 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 1006558 APJJGXMKVZPYTG-UHFFFAOYSA-N 429.303 5.897 0 40 IKAB O=c1c(-c2ccc(Cl)cc2)c(C(F)(F)F)oc2cc(OCc3ccc(F)cc3)ccc12 1959218 BDWFSYNKNBGSBX-UHFFFAOYSA-N 448.799 6.850 0 40 IKAB biogenic S=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 2255193 RZHCTRZUWOEJMQ-UHFFFAOYSA-N 448.595 6.594 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 2323455 YXJORWCTERYHIV-GOSISDBHSA-N 444.579 6.407 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1nnc2ccccn12)c1ccccc1 2619422 KEAZNGRKGMMIRE-GOSISDBHSA-N 428.439 5.220 0 40 IKAB CCOc1ccc(-n2c(SCc3ccccc3Cl)nc3c(c2=O)SCC3)cc1 2719938 QHUZJUPFTFKSGY-UHFFFAOYSA-N 430.982 5.225 0 40 IKAB Cc1ccccc1-c1cc(C(=O)Nc2nc3ccc(Cl)cc3s2)c2ccccc2n1 2751520 ORCKLXQFCJWVTK-UHFFFAOYSA-N 429.932 6.726 0 40 IKAB CCCC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1c(F)cccc1F 2768233 CVGCVRIPMBQSCK-UHFFFAOYSA-N 441.543 7.226 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cc2cc(Br)ccc2oc1=O 2784838 LRWWRCUYZUFLRA-UHFFFAOYSA-N 428.326 6.055 0 40 IKAB O=C(Nc1ccc(F)c(F)c1F)c1ccc(C(=O)Nc2ccc(F)c(F)c2F)s1 3186386 HISJXJLWBFWHLX-UHFFFAOYSA-N 430.329 5.087 0 40 IKAB COc1ccc(NS(=O)(=O)c2ccc3oc(SCc4ccc(F)cc4)nc3c2)cc1 3239982 GFRMCHKENLBOCS-UHFFFAOYSA-N 444.509 5.069 0 40 IKAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1c(Cl)cc(Cl)cc1Cl 3303944 JIDBCDNGSBWYDO-UHFFFAOYSA-N 442.604 5.341 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c(C)c1 3373537 WGBGGDQHDARUJJ-UHFFFAOYSA-N 439.515 5.260 0 40 IKAB COc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)c(OC)c1 3378606 OJPHBBUPONDOHJ-UHFFFAOYSA-N 430.529 5.598 0 40 IKAB Cc1ccc(-c2nc(COC(=O)c3ccc(OCc4c(C)noc4C)cc3)cs2)cc1 3378975 LZRYGMGMPGRGSV-UHFFFAOYSA-N 434.517 5.659 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 8383493 PETBJVNWTWIFMM-SFHVURJKSA-N 443.930 6.600 0 40 IKAB O=C(Nc1ccccc1Br)c1csc(-c2ccccc2)c1-c1ccccc1 8426259 VASSLBNSGOEVFH-UHFFFAOYSA-N 434.358 7.097 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)no2)cc1F 8587286 QMNSZRSSQTYTDD-UHFFFAOYSA-N 440.430 6.019 0 40 IKAB Cc1sc2nc(SCc3nc(-c4ccccc4Cl)no3)n(C(C)C)c(=O)c2c1C 8750327 DQANCLFJUQGMTK-UHFFFAOYSA-N 446.985 5.651 0 40 IKAB Cc1ccc(Sc2c(-c3ccc(Cl)cc3Cl)nc3ccccc3c2C(=O)O)cc1 8781520 XIQLDPCGJVIDFN-UHFFFAOYSA-N 440.351 7.366 0 40 IKAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 8810211 KGPOQQFLDMETFV-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB C[C@@H](NCc1ccccc1OCc1c(Cl)cccc1Cl)C12CC3CC(CC(C3)C1)C2 8861292 PIGJTNCWLHXXFJ-ZFGQVMFLSA-N 444.446 7.267 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C(c1ccccc1)c1ccccc1 8882715 SECXJTBRZKPIMJ-UHFFFAOYSA-N 429.520 5.529 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccc(Br)o1 8917405 KILOVEALJNXPQR-UHFFFAOYSA-N 428.213 5.411 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(C)c(Cl)ccc3s2)cc(OCC)c1OCC 8956138 LZMVNUWLZZPFCI-UHFFFAOYSA-N 434.945 5.707 0 40 IKAB COc1ccc(C2=C/C(=C3/N=C(c4ccc(Cl)cc4)OC3=O)c3ccccc3O2)cc1 8972114 HZKPUNLDMFNOND-ATJXCDBQSA-N 429.859 5.497 0 40 IKAB COc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2Cc2ccco2)c1 9307340 UDFNQIYRZLXZNA-UHFFFAOYSA-N 446.359 6.194 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)nnc1-c1cccnc1 9492686 CYTQJCQLMLWKPR-RTBURBONSA-N 449.624 5.049 0 40 IKAB Cc1nc2sc3c(c2c(-c2ccccc2)c1Sc1ccccc1C(=O)O)CCCC3 9509177 GXRSIWGVOKXLQX-UHFFFAOYSA-N 431.582 7.000 0 40 IKAB Cc1nc(N2CCC(C(=O)Nc3ccccc3O)CC2)c2c(-c3ccccc3)csc2n1 9534419 JTNOZLNRDQXRIM-UHFFFAOYSA-N 444.560 5.227 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 9561823 ZAERETBQMRQUGJ-NRFANRHFSA-N 449.601 6.097 0 40 IKAB O=C(CCCSc1nc2ccccc2s1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9788992 ZWXDUPNJAANDFA-GOSISDBHSA-N 440.590 5.304 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(-c3csc(C)n3)c2)nnc1-c1ccccc1 9797687 MEWIAEVCTXAPAU-UHFFFAOYSA-N 435.578 5.128 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)C12CC3CC(CC(C3)C1)C2 12564978 PCCUCYBLELJHOB-UHFFFAOYSA-N 448.563 5.402 0 40 IKAB COc1ccc(-c2csc3nc(C)nc(-n4cnc(-c5ccccc5)c4)c23)cc1OC 12628710 XXPOXFDFTMEKIK-UHFFFAOYSA-N 428.517 5.537 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 12652396 SLRBCUKFHXQMSA-IBGZPJMESA-N 431.458 5.270 0 40 IKAB COc1cc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c(OC)cc1Cl 12995910 KERDSCGSNAZQOQ-UHFFFAOYSA-N 429.885 5.183 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccccc3-c3ccccc3)n2)cc1 13112228 PGTNOBRXRYSYEP-UHFFFAOYSA-N 443.528 5.453 0 40 IKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 13284020 ZJDSCDZKROWSIS-UHFFFAOYSA-N 439.890 5.892 0 40 IKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)C1CCCCC1 13625336 DHOJUKUBUFUXOQ-UHFFFAOYSA-N 427.500 6.214 0 40 IKAB biogenic O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 13634395 YMLDJIWPBKDZBW-CYBMUJFWSA-N 426.954 5.044 0 40 IKAB CC[C@H](c1nnc(SCC(=O)c2cccc3ccccc23)n1Cc1ccccc1)N(C)C 14123334 GJHGQKFJLYAOBR-HSZRJFAPSA-N 444.604 5.467 0 40 IKAB Cc1cc(Cl)ccc1NC(=S)N=[P@](c1ccccc1)(N1CCOCC1)C(C)(C)C 15634719 KRQAFNJNEBIIEK-MUUNZHRXSA-N 449.988 5.918 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)c(C)c1 17094256 XYWUOXOHQUIDCX-FPYGCLRLSA-N 425.120 5.181 0 40 IKAB CCc1ccc(NC(=O)/C=C/c2cc(Br)cc(Br)c2OC)cc1 17103018 HVHNLCBYJYSJLR-RMKNXTFCSA-N 439.147 5.435 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Br)cc2)cc1 20047950 CSFJCLMNJNJTOZ-HXUWFJFHSA-N 436.415 5.595 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(C(=O)O)ccc1Cl 20151064 ULBBKEGCTCWZNO-RMKNXTFCSA-N 435.785 5.969 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 20549806 PNFWXWGXMHPQBR-HUUCEWRRSA-N 449.956 5.463 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20610302 AGZDHXWDQZAYAG-UHFFFAOYSA-N 430.508 5.106 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 20970080 KKGLOEORPKATFD-DEOSSOPVSA-N 426.495 5.665 0 40 IKAB CCN(CC)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 22075468 LAPCINOVRMVETI-UHFFFAOYSA-N 425.798 5.113 0 40 IKAB O=C(Nc1nccs1)c1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)cc1 24917248 WVOIDBJDLYKSTB-UHFFFAOYSA-N 431.542 5.475 0 40 IKAB O=C(Nc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccccc1)c1cccs1 27562553 LQECOMIXMMGEHE-UHFFFAOYSA-N 430.510 5.897 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 27664484 LSHGEAOTFUNZRJ-QGZVFWFLSA-N 444.487 5.408 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)C(c3ccccc3)c3ccccc3)cs2)cc1 27993700 FSYPEPMIYOSMIM-UHFFFAOYSA-N 428.557 5.310 0 40 IKAB Cc1nnc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)o1 29834078 NRHGUVBLBHCREB-UHFFFAOYSA-N 439.972 5.869 0 40 IKAB O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2nc(Cl)nc(Cl)c2C1 30678389 AYCKHGGFLCWKMC-UHFFFAOYSA-N 426.303 5.091 0 40 IKAB C[C@@H](Nc1ccc2c(c1)NC(=O)CO2)c1nc2cc(Cl)ccc2n1Cc1ccccc1 32806147 KWPLNCVJMXMNIE-OAHLLOKOSA-N 432.911 5.242 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccc1CN(C)C1CCCCC1 32904226 BHJNPXYSVFCCFV-UHFFFAOYSA-N 430.596 5.435 0 40 IKAB Cc1nc(C)c(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)s1 32905930 QAKYAZOYRNUZQK-UHFFFAOYSA-N 444.607 5.313 0 40 IKAB CC(C)(C)c1nc2cc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)ccc2o1 33216139 LRGXZAYGNXGDDJ-UHFFFAOYSA-N 446.404 5.721 0 40 IKAB Brc1ccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)cc1 33262429 TYIMVGBIDQCSKQ-UHFFFAOYSA-N 425.311 5.248 0 40 IKAB CC(C)CCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@@H](C)C(=O)O 33637016 STCSWZPJESBYAV-SFTDATJTSA-N 428.610 6.052 0 40 IKAB COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(C)cc2)c1 35314030 BKSYMFJGNYCIMN-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB CCCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)NC1=S 39556212 CZCPKQIVXGCTCC-ODLFYWEKSA-N 444.387 5.464 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 40157330 QWGABZCEQCAYRX-OAQYLSRUSA-N 448.371 5.111 0 40 IKAB CCN(C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1)c1ccc(F)cc1 48279757 YJRDYYIKVZPJJR-JLHYYAGUSA-N 427.476 5.172 0 40 IKAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2)cc1)c1ccccc1 49422243 DCERHNRTZZZDCO-UHFFFAOYSA-N 430.895 5.089 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2ccc(Cl)cc2)C4)cc1 54278153 JENFLKJYLQOZMK-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB biogenic Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)cc(C)c1I 59294224 UAKRMTICJOAWLW-UHFFFAOYSA-N 427.285 5.827 0 40 IKAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c(Cl)c1 59843122 ZIQYIBYOLRLKKA-UHFFFAOYSA-N 445.327 5.485 0 40 IKAB CCCCc1ccc(NC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64872362 MXMZZVWUCMAGOX-UHFFFAOYSA-N 434.992 7.454 0 40 IKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2cccc(Cl)c2)cc1 89638804 GGYDSVCFHDQDQP-JOCHJYFZSA-N 445.371 5.842 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N(c3ccc(N(C)C)cc3)[C@H](C)c3ccccn3)cs2)o1 95468117 PCRAXZZZAXRYNU-GOSISDBHSA-N 446.576 5.509 0 40 IKAB CCOC(=O)c1ccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1 101095350 MSNNQQHEPUCDQI-UHFFFAOYSA-N 449.507 5.358 0 40 IKAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br 222666314 LIZZUQIHXPNSLI-MDASCCDHSA-N 432.387 5.222 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223058981 VUFAQGJHSZXYQL-RUZDIDTESA-N 448.994 5.252 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 223073955 MUOIJBNZBHBLAS-YADHBBJMSA-N 441.984 5.312 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 223225811 GKZIVCDJRMJTJH-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223656278 STAAWZFYDJVTBF-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 223839708 CVVHHZLEWBWZGZ-INIZCTEOSA-N 425.912 5.427 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)COc3ccc(C(C)C)cc3Br)s2)cc1 224161094 ZMKIAMSFYOMRQZ-UHFFFAOYSA-N 446.370 5.417 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224177139 JLIUNAHDMMLWAT-SFHVURJKSA-N 435.539 6.202 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 224212413 NBSPVBKCJWPKMD-MRXNPFEDSA-N 444.358 6.380 0 40 IKAB CCOC(=O)C1CCN(C(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)CC1 224352068 PGZPKCSXWCGUEX-UHFFFAOYSA-N 447.984 5.056 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCCC1 224430294 IQKVUKJNCXVNFW-DQEYMECFSA-N 448.611 6.321 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224440041 FZFKJEKYFNEOGS-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224446494 PVFQZTHUKPEQBN-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 224580206 OSPFPIUJGNPEGQ-RUZDIDTESA-N 438.612 5.042 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(OC)cc1 224604656 BASXCBQULFVEEB-HXUWFJFHSA-N 433.548 5.424 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926073 VGTGTVQRHYQLCA-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 225576643 IBWZMVYULYHBNK-OFVILXPXSA-N 446.591 5.249 0 40 IKAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919315 NHSZDTBVHCTPET-UHFFFAOYSA-N 441.560 5.052 0 40 IKAB COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408578414 YFKXYWMSKULDQG-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(-c2cc(C)nc(SCc3nc(O)c4c5c(sc4n3)CCCC5)n2)cc1 408583693 WRJOVVRRQIDYMI-UHFFFAOYSA-N 434.590 5.642 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 408699947 XPUJVRDVJTWMKR-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 409113941 JQKBCPHYIGKYMH-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1cccc(F)c1 409117869 PEUXSQMWCWVNCH-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 409204032 BWMVYABOIANLDX-SGEDCAFJSA-N 428.601 6.064 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@H]1CCC2=O 504776095 DCJVKINJRHKIHH-ITYOZXKKSA-N 429.645 5.386 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)cc1 649071 JGJYRKXYFFRSBM-UHFFFAOYSA-N 446.379 5.913 0 40 IKAB CCc1ccc2nc(-c3ccc(-c4ccc(Cl)c(C(F)(F)F)c4)o3)cc(C(=O)O)c2c1 1790044 RIWVCOSEUJUQIG-UHFFFAOYSA-N 445.824 7.095 0 40 IKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 2184861 QBZXOORWORWJCE-UHFFFAOYSA-N 429.538 5.424 0 40 IKAB COc1ccc([C@@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(Cl)cc3)c3ccccc32)cc1 2202699 LFCGNUNKVAVJSX-OETTXPGDSA-N 445.990 6.883 0 40 IKAB O=P(Nc1ccccc1Br)(Oc1ccccc1F)Oc1ccccc1F 2226569 ICQROWZCXOIKLW-UHFFFAOYSA-N 440.180 6.405 0 40 IKAB CC(C)Cc1nc2sc3c(SCC(=O)N4CCCCC4)ncnc3c2c2c1CCC2 2239301 RDRSPVARKYQNOP-UHFFFAOYSA-N 440.638 5.031 0 40 IKAB CC1CCN([C@H](C)C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 2292551 KHAKSADXWAYEPL-NFQMXDRXSA-N 439.043 6.282 0 40 IKAB Clc1ccc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2521599 JAHJITLFJSDRCG-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic C[C@@H](CCc1ccco1)N(C)C(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 2731157 HURYXKUDWLUZLB-HNNXBMFYSA-N 442.441 5.101 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(OC(F)(F)F)cc1 2925019 RJSPBEUTINPEAU-UHFFFAOYSA-N 445.875 5.488 0 40 IKAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(SC(F)F)cc1 3248100 CQCGXUVRWYEQRS-UHFFFAOYSA-N 434.533 5.408 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccccc3CC)c3ccccc3C2=O)cc1 3274275 IKOSZOGVDZVPAX-QJOMJCCJSA-N 440.499 5.066 0 40 IKAB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)N1CCCC1 3292983 AHGBCEIOJIXRLO-UHFFFAOYSA-N 434.609 5.242 0 40 IKAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 3300716 DAGJRVLQBIBVLE-UHFFFAOYSA-N 442.437 5.231 0 40 IKAB O=C(COc1ccc(Br)cc1Br)Nc1ccc(Cl)cc1F 3447755 OWKPXTYBARWBQC-UHFFFAOYSA-N 437.490 5.022 0 40 IKAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(Br)c4ccccc34)c2n1 6038764 HEONICKHIVKZOV-UHFFFAOYSA-N 428.307 5.227 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 6474907 WBXLTEDRFAFWPS-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)ccc2c1 6525627 MIQWJXJGTXMVNG-XZUXRINTSA-N 426.553 5.499 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc2c1C 8765430 BZPUHFMOKXDWRC-UHFFFAOYSA-N 443.455 5.142 0 40 IKAB biogenic COc1ccc(-c2cs/c(=N\c3ccccc3)n2-c2ccccc2)cc1Br 8781009 FFQOEJOZENDSJC-GYHWCHFESA-N 437.362 6.209 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 8828199 NBUUMQWGGAJHQQ-GOSISDBHSA-N 431.923 5.267 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)nc3sc(C)c(C)c23)cs1 8861071 RJDRQIAMTLYMAO-UHFFFAOYSA-N 440.619 6.050 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1ccc(C(C)(C)C)cc1 9027475 DCYZXNVURMEXNE-UHFFFAOYSA-N 443.016 5.955 0 40 IKAB CCCCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1[C@@H](CC)N(C)C 9216948 GXZCFMXDOSNPPE-LJQANCHMSA-N 428.602 5.106 0 40 IKAB COc1ccc(-c2cc(=O)n3c4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1OC 9262094 GIVYWRALIPAYQD-UHFFFAOYSA-N 445.906 5.035 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)s1 9354741 OVRRIPFRTGLOMU-UHFFFAOYSA-N 431.336 5.745 0 40 IKAB Cc1csc(SCc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)n1 9376595 OZFHNURPNQWOHR-UHFFFAOYSA-N 437.634 5.270 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc1 9707758 FKRJYBAMWCBEAY-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 9831967 LCRGAMXJQQLERD-FQEVSTJZSA-N 448.617 5.580 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 9832107 QRNYTKSXVIRMDA-UHFFFAOYSA-N 425.583 5.232 0 40 IKAB COc1ccc(CCNC(=S)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1 10952100 DINREZBNSFFZHW-LJQANCHMSA-N 447.604 5.058 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)NCc3ccccc3Cl)c(Cl)c12 11665722 OSODJIJULZMAFS-UHFFFAOYSA-N 429.282 5.105 0 40 IKAB COc1ccc(-c2coc3c(C)c(OCC(=O)Nc4ccc(C)cc4)ccc3c2=O)cc1 11865156 AQTRWWMFRLMDBG-UHFFFAOYSA-N 429.472 5.103 0 40 IKAB biogenic COc1cccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(Cl)cc3Cl)o2)c1 12371618 OWBSFQKUYAVTJO-UHFFFAOYSA-N 440.286 5.971 0 40 IKAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC 12602319 BUUQPBMMBRTQII-GNISGLHKSA-N 425.916 5.001 0 40 IKAB Cc1nnc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1Cc1ccccc1 12686544 FTNVPEWHXDENDA-GOSISDBHSA-N 428.561 5.421 0 40 IKAB CNC(=O)c1ccc(CN(Cc2ccco2)Cc2cc3ccc(C)c(C)c3nc2Cl)cc1 12761690 OTMPFRGQLONEHU-UHFFFAOYSA-N 447.966 5.660 0 40 IKAB CSc1ccccc1NC(=O)[C@@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C 12983554 GLIJFMFPVOREJU-OAHLLOKOSA-N 445.606 5.300 0 40 IKAB Cc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 13591745 IGLAXMPPOQFMPU-GGAORHGYSA-N 443.761 7.198 0 40 IKAB Cc1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1Br 13687579 IGOZCGUCASWARL-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13953139 FVJVYPIPLKEQOU-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB NC(=O)c1ccc(-c2nnc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc23)cc1 14944600 UPMAOTVCKCIDRZ-UHFFFAOYSA-N 446.510 5.718 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccccc2F)c2c[nH]c3ccccc23)cc1OC 16176575 BSCFRGUVRBSBDS-HXUWFJFHSA-N 432.495 5.276 0 40 IKAB Fc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 16401413 WRCWTJRAPKSSFR-UHFFFAOYSA-N 438.757 6.697 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 16688684 MYMYIXPUYLISFR-QFIPXVFZSA-N 446.374 5.794 0 40 IKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc(OCc2ccccc2)c1 17100467 VOPNAPWEKDZCPS-UHFFFAOYSA-N 436.536 6.795 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nc2c1 17103153 LRGVYLNFKFITSF-CQSZACIVSA-N 439.342 7.567 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3cccs3)c1)O[C@@H]1CCCC[C@H]21 17724601 JYQQAGGPXAPCLP-CEYNDMKZSA-N 449.572 6.163 0 40 IKAB Cc1cc(C(=O)N2CC[C@@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)cs1 19571655 KLZSVJVXRDGIEE-LJQANCHMSA-N 441.560 5.282 0 40 IKAB O=C1N[C@@H](c2ccccc2OCc2ccc(F)cc2)Nc2sc(Cc3ccccc3)cc21 19640997 NCOSASZHVTZYFW-XMMPIXPASA-N 444.531 5.911 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccc(F)cc2)nc2c1CCC(=O)N2Cc1ccccc1 19703733 NFIUWGSJXKLXQO-XMMPIXPASA-N 444.554 5.131 0 40 IKAB CCc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2)n1 20611432 PTKICSKXNLUAPQ-UHFFFAOYSA-N 438.940 5.825 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(OCc2ccccc2Cl)c1 22258327 CKQPCSBVUGGHGA-UHFFFAOYSA-N 443.930 6.750 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 24221536 XUCCZPVPICCUIS-UHFFFAOYSA-N 427.348 5.779 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 24828842 JJJLMDZXTJBMNG-UHFFFAOYSA-N 429.879 5.679 0 40 IKAB Cc1ccc2c(C)c(C(=O)Nc3nonc3-c3ccc(Br)cc3)oc2c1C 27663240 NFTKTASNKDYKFG-UHFFFAOYSA-N 426.270 5.423 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 32692045 GXPYATBSJHYMFR-UHFFFAOYSA-N 433.964 6.436 0 40 IKAB COc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1OCc1cccnc1 32833911 YRAWSMZQIJEHFJ-UHFFFAOYSA-N 427.504 5.282 0 40 IKAB O=C1N/C(=N\c2cccc(Cl)c2Cl)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35646001 HLRMYVMGUKEJDO-YVLHZVERSA-N 449.746 6.798 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 48286838 AKQDKRQQYNFANV-LJQANCHMSA-N 426.517 5.033 0 40 IKAB Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc(C)c1Cl 57317023 FBLITDQYNUQLBR-UHFFFAOYSA-N 448.744 5.675 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 57774917 BLHKCTWRIVCSEF-QGZVFWFLSA-N 426.486 6.452 0 40 IKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Sc3ncccn3)cc2C)cc1 58192378 VEPXMDXEAKZUSU-UHFFFAOYSA-N 446.601 5.858 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72358094 FTLOJJBQPQBWOE-XMMPIXPASA-N 433.939 5.262 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)Cn4ccc(C)n4)C3)c(-c3ccncc3)c2c1 72396818 SQFSQRNYHQNALC-DENIHFKCSA-N 441.579 5.086 0 40 IKAB COc1cc(OC)c2cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc45)nc3)n(C)c2c1 72404104 PAOLCENDQLPJNT-UHFFFAOYSA-N 442.475 5.116 0 40 IKAB O=C(CN1CCC[C@H]1CC(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 79025769 SJDFKPZYKCYMQO-LBPRGKRZSA-N 431.772 5.384 0 40 IKAB CC(C)(C)OC(=O)N(Cc1ccc(Cl)cc1)c1nc(-c2ccc(N)cc2)cn2ccnc12 95092931 WRELXIWZAXCCPH-UHFFFAOYSA-N 449.942 5.574 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Br)cc1F)c1cccc(C(=O)c2ccccc2)c1 98073326 IXQGTGOOBMTDFD-CQSZACIVSA-N 426.285 5.561 0 40 IKAB COc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 100026362 FOSIJFKMOGKKTI-VYIQYICTSA-N 446.304 5.980 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100914565 FWPXXWJCAFWHHE-VABKMULXSA-N 432.907 5.008 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc(Cl)c1O 106717888 JFWUJIYHZXPUAQ-CHHVJCJISA-N 444.723 5.598 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)cc1 109032142 KYEQRLVZSQSOPT-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1c1ccccc1 208686160 TYUJZZHWNHPCPM-UQQQWYQISA-N 437.520 6.660 0 40 IKAB COC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)ccc1Cl 219765825 KMGSVVPPFFZLEF-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 222550949 IBHCFBPFIUKVOP-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 222878860 QJQBTMLSINUGQX-FQEVSTJZSA-N 426.409 5.763 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222951957 BLMXKUDMOBEOEE-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 223046994 KBZCNGKCNDMTNT-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H]1CC(C)(C)Oc2ccccc21 223206691 PACIXPBMVLYPRV-PHCAOYFPSA-N 446.572 5.246 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 223330233 WIHNGECJHSYRBP-KRFWEUHSSA-N 446.547 5.271 0 40 IKAB Cc1cc(C(=O)NC2CCCCCCC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224219621 SVBXRTRMTCKJCK-UHFFFAOYSA-N 449.016 5.316 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)nc1 224259808 DTCGDDBWAMWCMP-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 224269335 LVOVNHBTEQMQEQ-LJQANCHMSA-N 445.003 5.032 0 40 IKAB CCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224316470 XOEYAYAJDWTVEM-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)cc3)c2)cc1 224469592 MZTCPTIYBGMXQV-UHFFFAOYSA-N 433.504 5.402 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 224664404 BHSYZMBITNEZPQ-DEOSSOPVSA-N 438.612 5.077 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 224814763 CTIUDGKNSYYXPP-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224968038 IYWVAXCWJSNOMC-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1cc(Br)ccc1Cl 225069325 AQTIJGDOXBXSRP-UHFFFAOYSA-N 435.749 5.417 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)cc1C 225148230 VKRRDUGRHUAJOI-SFTDATJTSA-N 436.606 5.286 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225251315 XNMRQFFUIBKNOW-DLBZAZTESA-N 435.395 5.258 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 225335093 DIYNIFZNSXSCDV-WOJBJXKFSA-N 429.998 5.761 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225680086 ZEHGZAMMTRFVAY-OAQYLSRUSA-N 437.609 5.210 0 40 IKAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCC2)n1 226008674 AJILFPKHPMKJKY-QGZVFWFLSA-N 425.602 5.267 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc(Br)c2)o1 226347939 XBPHENCIEDWARD-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257316936 VHQGMSBVOKWZGM-HSZRJFAPSA-N 448.994 5.809 0 40 IKAB Cc1cc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2o1 257319434 VSNRPMGPFHVYDG-FQEVSTJZSA-N 430.935 6.476 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c1 408543881 FSPSHGKOPBZZLS-UHFFFAOYSA-N 434.989 5.210 0 40 IKAB CCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(F)cc1 408562288 OPNCXACVIMWIHJ-OHYPFYFLSA-N 444.575 6.197 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 408620387 IOAXOXSRBSARRE-HRZAVBMWSA-N 434.322 5.564 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409117462 NQIUXNZEAWAUOW-UHFFFAOYSA-N 445.968 5.654 0 40 IKAB O=C(c1ccc2c(c1)nc(O)n2C1CCCC1)N1CCC(c2noc3cc(F)ccc23)CC1 567289661 SDWZPCGVDNJWQG-UHFFFAOYSA-N 448.498 5.157 0 40 IKAB O=c1/c(=C/c2ccc(Oc3ccc(Cl)cc3)cc2Cl)sc2nc3ccccc3n12 585152303 MVXMFISAFQEFOL-JAIQZWGSSA-N 439.323 5.556 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3cnccc3c2)CC1)C1(Cc2ccccc2)CCOCC1 1848355923 UECFTLMOZMTPMQ-QHCPKHFHSA-N 442.603 5.446 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(-n6nc(C)cc6C)nc(C)nc5c24)CCC3)cc1 642954 RNCVURZISZEGAG-UHFFFAOYSA-N 441.560 5.515 0 40 IKAB O=C(Oc1c(Cl)cc(NS(=O)(=O)c2ccccc2)c2ccccc12)c1ccccc1 822146 CCBMGQZUVRZVOQ-UHFFFAOYSA-N 437.904 5.513 0 40 IKAB O=C(c1cccc(Br)c1)c1cn(-c2ccccc2)nc1C(=O)c1ccccc1 988044 GRYFDAVIBGSOPE-UHFFFAOYSA-N 431.289 5.097 0 40 IKAB aggregator CC1(C)Cc2c(sc3nc(Cc4ccccc4)nc(SCc4ccccc4)c23)CO1 1749046 XFYHLWXINBKKEX-UHFFFAOYSA-N 432.614 6.426 0 40 IKAB CCCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 2217651 DOJUATQHQXFAHW-UHFFFAOYSA-N 448.548 5.353 0 40 IKAB CCC[C@@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c23)CO1 2221633 FKGVRTNMPHVAFH-CYBMUJFWSA-N 433.986 5.143 0 40 IKAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 2440698 AKQNTBAVQREVAG-UHFFFAOYSA-N 448.446 5.789 0 40 IKAB biogenic CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 2443512 SOVZPUOUZQXCSV-UHFFFAOYSA-N 432.549 5.441 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(Cl)c1 2450614 QNVRSBDRNBMZEM-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 2721836 FVDLARGTUYXFDV-UHFFFAOYSA-N 425.531 5.677 0 40 IKAB CCCCCn1c(NC(=O)c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 3267745 KPJFPTUUATWEKL-UHFFFAOYSA-N 430.508 5.204 0 40 IKAB CC[C@@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3ccccc3n2)cc1 3342358 LXTSILAWWZVMLP-QGZVFWFLSA-N 446.497 7.269 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c(CC)cccc12 6860486 PJOKZCZPJLLKGD-UHFFFAOYSA-N 441.600 6.461 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 8453155 CQYVPSZLMWSAAD-JOCHJYFZSA-N 435.553 5.050 0 40 IKAB CC1(C)Cc2ccccc2C2=CC(C(F)(F)C(F)F)=CC(=C3C=C([N+](=O)[O-])C=CC3=O)N21 8755152 PJAGWYHVPNFKQB-UHFFFAOYSA-N 446.400 5.058 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cc2ccncc2)cc1 8832393 JHKNSPWBRWREQV-SOFGYWHQSA-N 449.337 6.891 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccccc1)c1c(ncn3nc(-c4ccco4)nc13)O2 9158371 DDFFIXYMEKCZKS-NRFANRHFSA-N 446.470 5.164 0 40 IKAB Nc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@@H]3c1cccnc1 9302898 FFDHLPRSWVQKEG-QFIPXVFZSA-N 442.482 5.208 0 40 IKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(Cl)c1 9606520 PBGXZANPRWDLNE-FQEVSTJZSA-N 446.284 6.832 0 40 IKAB CC(C)(C)NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 9631264 NGJRPMFEOBADSY-UHFFFAOYSA-N 436.625 5.534 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)cc1 9751177 DGTJLFXTBNBUKF-UHFFFAOYSA-N 435.549 5.228 0 40 IKAB COc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(F)cc3)c2c1 9847471 DVDYLVASHFPIKI-UHFFFAOYSA-N 449.503 5.063 0 40 IKAB COC(=O)c1ccc(CSc2ccc(-c3sc(-c4ccc(F)cc4)nc3C)nn2)o1 10456036 YJOZBLORMLIXGS-UHFFFAOYSA-N 441.509 5.387 0 40 IKAB Cc1oc2c(F)c(F)c(F)c(F)c2c1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11075622 HPTCQNDFQRWWHU-UHFFFAOYSA-N 428.385 5.708 0 40 IKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc2)nc(C)n1 12225885 JKJALDJNYMSPPB-UHFFFAOYSA-N 441.919 5.623 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2Cl)cn1-c1ccccc1)c1cccs1 12589449 MYPTXSAYCPEZRO-UHFFFAOYSA-N 445.396 6.883 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 12636629 ZBFDQISZEKOCKU-UHFFFAOYSA-N 426.504 5.620 0 40 IKAB COc1ccc(-n2c(SCC(=O)N3c4ccccc4C[C@H]3C)nc3ccccc32)cc1 12657779 VGDGWAFHDCHMDE-QGZVFWFLSA-N 429.545 5.104 0 40 IKAB O=C(Nc1ccc(C2CCCCC2)cc1)c1cc2sccc2n1Cc1ccc(F)cc1 13083091 BOAGULQHVJPNQF-UHFFFAOYSA-N 432.564 7.190 0 40 IKAB COc1ccc(CNc2nnc(SCC(=O)Nc3ccc4ccccc4c3)s2)cc1 13163887 PYIAHZLLAMMOTR-UHFFFAOYSA-N 436.562 5.043 0 40 IKAB CCOc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 13936261 NUZSKGMIHUKJBB-UHFFFAOYSA-N 441.578 5.003 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)c(C)c1 14272787 QRUWRVCHYAAIGI-UHFFFAOYSA-N 447.970 5.789 0 40 IKAB Clc1ccc(-c2nnc3sc(-c4cccc(Br)c4)nn23)c(Cl)c1 15081041 LGHPROARDYYFGE-UHFFFAOYSA-N 426.126 5.589 0 40 IKAB CC(=O)Oc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 15133405 AGWDUQPUHYOPFB-ODLFYWEKSA-N 442.254 5.523 0 40 IKAB c1ccc(CC2(Cc3ccccc3)OC[C@H](Cn3c4ccccc4c4ccccc43)O2)cc1 16478812 UDSYRVMIARHTTK-VWLOTQADSA-N 433.551 6.392 0 40 IKAB CC(=O)C[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758102 XZLQNGBVWLOETP-KRWDZBQOSA-N 435.980 6.509 0 40 IKAB COc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 16842579 RLFWECQDPAKMMI-UHFFFAOYSA-N 426.339 5.460 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1cccc(C(F)(F)F)c1 17149911 CAHNEXBIYOVBLG-UHFFFAOYSA-N 430.451 5.612 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 19636564 LJQQSQSIPGQZST-OALUTQOASA-N 442.559 7.438 0 40 IKAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690247 PIZQWVZZELGQMG-LJQANCHMSA-N 448.929 5.132 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 20493881 VLHAEXNGHOSRCR-SHQCIBLASA-N 444.600 5.650 0 40 IKAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 21895103 HXFOTXKWCLAKCF-LJQANCHMSA-N 436.895 5.596 0 40 IKAB COCCCn1c(S[C@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl 23905353 BINPFNOIAHKKLZ-CYBMUJFWSA-N 435.981 5.169 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(Cn2cc(Br)cn2)cc1 27969808 WYVWFYMFICEOIR-UHFFFAOYSA-N 425.113 5.253 0 40 IKAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28536694 GQUBLSUIBKXSSX-UHFFFAOYSA-N 437.352 5.010 0 40 IKAB CC(C)Cc1csc2c1c1nc(-c3cccnc3)nn1c(=O)n2Cc1ccc(Cl)cc1 32093001 WUQYPUHBUUFGHU-UHFFFAOYSA-N 449.967 5.068 0 40 IKAB O=C(Cc1csc(Cc2cccc(Cl)c2)n1)Nc1cc2c(cc1Cl)OCCCO2 36760467 LKONQRGYDHQICQ-UHFFFAOYSA-N 449.359 5.383 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 41089713 IGCQICWBTZDBQW-UHFFFAOYSA-N 434.521 5.149 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(Cl)c1 67292974 IJUOCEFZLZYOPO-IAIVQWBNSA-N 435.282 5.020 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1CNC(=O)c1cc(-c2ccc(F)cc2)nn1C 90593268 DPHWULMLTXMMPM-UHFFFAOYSA-N 440.931 5.242 0 40 IKAB COc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1OC 100425617 FQZCNALJCICLHL-UZTOHYMASA-N 426.516 6.333 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 100612812 VVZPDOBDYXKVPZ-XCLFUZPHSA-N 439.503 5.275 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccc(F)c1 101373522 DBAXYIIMUYORRC-MMTVBGGISA-N 440.518 6.786 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 101530975 RFBBNAHDSTYUGA-VYAAIZFGSA-N 432.490 5.098 0 40 IKAB CC(C)(C)c1ccc([C@H]2C3=C(O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 102531065 BPRNTYSLLNTUKX-VWLOTQADSA-N 429.541 5.916 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1Cl 106683985 QCONNKQBPGRGQB-IDUWFGFVSA-N 447.741 5.820 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 107814320 HGNYMIJZVROCPE-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 110213276 VHUAOGPJELPZKF-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2I)c2ccccc2O1 222633164 RUERTFOCXAEKAG-KRWDZBQOSA-N 435.305 5.104 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 222881631 JSUNTYPHSAZNSF-VWLOTQADSA-N 430.548 5.018 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 223087958 HQKHZKXJXKYCSK-RPWUZVMVSA-N 434.609 5.446 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223303127 OVCQSTQGAANMMB-HSZRJFAPSA-N 438.612 5.021 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223744956 AQEUSHPCXSCHFX-XMMPIXPASA-N 438.612 5.221 0 40 IKAB Cc1ccc(SCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1 223828471 DTYMRAHNGYXVFG-JWGURIENSA-N 436.602 5.044 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 224058680 BZOGNZOTTYYODB-UHFFFAOYSA-N 436.298 5.662 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224194755 SZOGZLQBTRUUER-AREMUKBSSA-N 442.603 5.092 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224212666 MPETWAZVLGEHBD-MRXNPFEDSA-N 427.903 5.866 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 224425061 IVANZSHBXCMPHV-NRFANRHFSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COc1ccc(C)cc1 224471174 ZGESFBWMHROKSK-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(Cl)cc2)cc1 224535139 SVHJYBSDPLIWNE-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(Cl)c(C)c1 224544648 SOWGNZJOXVMXQC-UHFFFAOYSA-N 439.939 6.277 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1cccc2ccccc12 224629645 LXDAFDMOJJXKTH-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC2CCCCC2)cc1 225374882 GKDFFTOETBOWSU-MHZLTWQESA-N 448.651 5.480 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1Cl 225541554 WABXXABDTUWPGZ-UHFFFAOYSA-N 444.015 6.683 0 40 IKAB COc1ccc(C(=O)OC23CC4CC(CC(C4)C2)C3)cc1-c1cc2ccccc2oc1=O 226357975 LZGIGHNFIMMOCO-UHFFFAOYSA-N 430.500 5.594 0 40 IKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)c1C 253530816 WUIVTTCUCRCNIV-UAPYVXQJSA-N 440.012 6.179 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257217813 DATAHXDYCUCAKJ-NRFANRHFSA-N 426.463 5.065 0 40 IKAB CN(C)c1cccc(C(=O)N2CCC[C@H]2c2cccc(-c3cccc(C(F)(F)F)c3)n2)c1 257275173 NOEWGMVSQRVTRU-QHCPKHFHSA-N 439.481 5.811 0 40 IKAB Cc1cccc(-c2cccc([C@@H]3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1 257313059 UQVKKVRYZGOKMO-XMMPIXPASA-N 440.587 5.511 0 40 IKAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 257331852 XUNLYFLRHBDUTF-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OCC 260783809 UIVBBVXNWZSUCK-CWFSZBLJSA-N 431.989 5.512 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(Cl)cc1 408560144 CDSYLABVCUPEKW-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(F)cc1 408560511 DAHROYJRYPMOLP-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 408781726 FLLWQMXKVUTWHS-GLSAMTQTSA-N 448.544 5.204 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1C1CCCCC1 409079430 FUFNAIBZQDJESZ-MOSHPQCFSA-N 428.891 5.284 0 40 IKAB CCN(CC)C(=O)COc1cccc([C@@H]2OC[C@@H](c3cccc(Cl)c3)C[C@H]2C(C)C)c1 585293423 WLLJMFPEUUIUFR-CVJWPJSTSA-N 444.015 6.105 0 40 IKAB Cc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 624112 KBTWFHHYKCASSF-UHFFFAOYSA-N 435.896 5.327 0 40 IKAB CCN(Cc1ccccc1)C(=O)Nc1ccc(C)c(NC(=O)N(CC)Cc2ccccc2)c1 640695 WSYRYWKMCDQCRD-UHFFFAOYSA-N 444.579 6.103 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2C)n1CC 649317 QEMHGODWFAXZNV-UHFFFAOYSA-N 437.613 5.129 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)sc(C)c1C 671895 QVEQENQHAZGXSD-UHFFFAOYSA-N 434.517 5.911 0 40 IKAB CC(C)(COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 823356 YARDGUKBJJCSBK-GOSISDBHSA-N 439.364 5.595 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCC2)cc1 878999 OCGRZBUHANBMSW-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(CNc2ccc(F)cc2)n1-c1ccccc1 898661 NTWGHXCNXVPGBU-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB O=C(O)CCc1ccc(-c2ccc(F)cc2)n1NC(=O)c1sc2ccccc2c1Cl 980327 WTMARJRNPIIQLC-UHFFFAOYSA-N 442.899 5.563 0 40 IKAB CC(=O)Nc1c(C(=O)c2ccc(Br)s2)oc2ccc(Br)cc12 1054637 ZPBDEQYSTNHOJW-UHFFFAOYSA-N 443.116 5.209 0 40 IKAB CCOc1ccccc1C(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 1346814 FFJAAZBOLWSUKB-UHFFFAOYSA-N 440.543 5.120 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3c(C)cc(C)cc23)cc1 2079756 PACRJUWWKRNVST-UHFFFAOYSA-N 426.516 6.178 0 40 IKAB Cc1ccc(Sc2cc(Oc3ccccc3)c3c(c2)Oc2ccccc2NC3=O)cc1 2192667 GJMZWSNFBWNOMV-UHFFFAOYSA-N 425.509 7.297 0 40 IKAB Cn1c(CC(=O)Nc2ccccc2C(F)(F)F)c(Sc2ccccc2)c2ccccc21 2381840 KOJGNAATMNZQPI-UHFFFAOYSA-N 440.490 6.530 0 40 IKAB COc1ccccc1C(=O)Nc1ccc(Oc2nc(C)nc3sc4c(c23)CCCC4)cc1 2680082 PPRPITFWIRWKBP-UHFFFAOYSA-N 445.544 5.932 0 40 IKAB Cc1nc(CSc2ccc(Cl)cc2)cc(Sc2c(Cl)cccc2Cl)n1 3105887 IRIWQDOMOUAGKY-UHFFFAOYSA-N 427.809 7.189 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccc(SC(F)F)cc2s1 3235372 MFHQYJJEPDQBRP-UHFFFAOYSA-N 440.540 6.772 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)c1 3259108 VFHYEOMUEQPPAC-UHFFFAOYSA-N 440.638 5.783 0 40 IKAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccccc1O 3309991 REPRDXSXKMIWRR-IBGZPJMESA-N 449.812 5.601 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3313255 KNCRBALIRRQHEN-UHFFFAOYSA-N 449.816 5.293 0 40 IKAB Fc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)c(Cl)c1 3339238 YUYMILATCBTISX-UHFFFAOYSA-N 439.899 5.748 0 40 IKAB Cc1ccc(-n2nnnc2S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 3498587 PWJWHVAZLXMVNG-HSZRJFAPSA-N 425.517 5.168 0 40 IKAB aggregator Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc(OC(C)C)c1 4122494 WTWMLNCANCPJJP-UHFFFAOYSA-N 446.532 5.112 0 40 IKAB CCCCCC[C@@H](C)Oc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)nc2)cc1 4321147 FQMFCNMVBVQPJN-XMMPIXPASA-N 429.648 8.886 0 40 IKAB Cc1ccc(C)c(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c1 6255783 QYRPFGXIBLLSQM-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 8004304 MSLGAGZARNHVOI-HXUWFJFHSA-N 427.548 5.031 0 40 IKAB CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cccc4ccccc34)c2c1 8383379 WQQGLGINHWPWFR-UHFFFAOYSA-N 432.523 6.878 0 40 IKAB CCOC(=O)c1c(-c2cc(C)c(C)c(C)c2)csc1NC(=O)c1ccc2ccccc2c1 8433046 SSJHDJSCOCECOH-UHFFFAOYSA-N 443.568 6.923 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc2ccccc12 8452278 XWXKSINTUGKDJO-GFCCVEGCSA-N 449.142 5.771 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 8727889 IGHHOCBJPFBAJF-JTSKRJEESA-N 432.593 5.555 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 8781816 ZDKMWXPTHAJJLV-UHFFFAOYSA-N 431.266 6.312 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc(Cl)cc1 8788502 TUQWJMAWNXSHSV-UHFFFAOYSA-N 446.384 6.396 0 40 IKAB O=C1[C@H](C[C@@H]2CCC[C@@H](C3(Cl)CCCCC3)C2=O)CCC[C@@H]1C1(Cl)CCCCC1 9144894 LIEKHNOVNVFJAU-XSDIEEQYSA-N 441.483 7.231 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccccc1)N2 9346210 OQQJQJAWBFNHGR-NQOXEKHISA-N 439.494 5.215 0 40 IKAB CCCSc1nnc(CNC(=O)c2cccc(F)c2)n1-c1ccc(Cl)c(Cl)c1 9368987 QDUNLVZCSIUQMP-UHFFFAOYSA-N 439.343 5.145 0 40 IKAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC 9409238 YPLCIHOKNSKPJK-VWLOTQADSA-N 449.551 5.315 0 40 IKAB Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C[C@@H]2CCCO2)cc1 9535703 QDOBMDCHRTZPQO-SFHVURJKSA-N 448.361 5.318 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)C12CC3CC(CC(C3)C1)C2 9590725 AYBKNOANOWTTOK-UHFFFAOYSA-N 437.055 6.194 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 9605464 JKIKWAIJOWAPAP-DEOSSOPVSA-N 441.575 5.269 0 40 IKAB COc1ccc(NC(=O)[C@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1Cl 9639808 GIHLZNFHUXKTCL-XMMPIXPASA-N 449.938 5.267 0 40 IKAB CCn1cc(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c(=O)c2ccc(C)nc21 9764409 HXSFLWSDWKOGSZ-UHFFFAOYSA-N 432.549 5.026 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 9884848 PKXPHCWJBKOVEF-UHFFFAOYSA-N 449.165 5.470 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc(Br)c1OC 12549099 QSTXOSMNFJJYEM-UHFFFAOYSA-N 434.208 5.007 0 40 IKAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 12655837 NZDFRHCQINXFLI-WBLKXBLGSA-N 428.613 5.800 0 40 IKAB COc1ccc(-c2nc(CSc3nc(/C=C/c4cccs4)n[nH]3)cs2)cc1OC 14334226 BSASUQYALXGBTA-SOFGYWHQSA-N 442.591 5.470 0 40 IKAB CCc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccccc1OC)C[C@H]2c1ccccn1 14607635 DSYGJBJVOPFZOT-QHCPKHFHSA-N 426.495 5.769 0 40 IKAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1Cl 14649666 OGZYTJLCCKVNLU-UHFFFAOYSA-N 426.738 5.426 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@H]1CC2 15305020 VFXUNXVHKCKVQJ-ZNZIZOMTSA-N 443.628 5.938 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 16008550 GAPAPECDRFOMCW-UHFFFAOYSA-N 426.350 5.398 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc2ccccc2c1 16284461 OYKCYYIUMXWUNE-UHFFFAOYSA-N 428.495 6.288 0 40 IKAB COc1ccc(S[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 16291787 OWZFSRXYHIANBC-XMMPIXPASA-N 426.965 6.772 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(-c3ccccc3)csc2c1=O 16845119 RAKRSFUKTDVBKK-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB CC[C@H](C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 16903831 QCXHBKVNFXHHIS-NRFANRHFSA-N 447.623 5.868 0 40 IKAB CN(c1ccccc1)c1nnc(-c2ccc(NC(=O)c3cc4ccccc4o3)cc2)s1 16915529 SJYFKQBZKBKBNF-UHFFFAOYSA-N 426.501 5.972 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1sc2ccccc2c1Cl 17098212 FOFCPFRANVTJGR-UHFFFAOYSA-N 432.888 5.608 0 40 IKAB CC(=O)Nc1cccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)c1 18199127 SMECOQQGCIURRP-UHFFFAOYSA-N 441.322 5.441 0 40 IKAB CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2onc(C)c2C)cc1 19533138 GYCBBHSALIZFLS-QHCPKHFHSA-N 448.567 5.142 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc([C@@H](C)CC)cc2)cc1 19644845 TXEHRTCMLQWKQK-FQEVSTJZSA-N 446.547 5.384 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)n1 19692027 GHOOSMAZGULZPQ-SANMLTNESA-N 442.538 5.223 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@@H](C)O4)cs2)CC1 19796658 PIXCEJMUVKQWJH-KLAILNCOSA-N 441.597 5.489 0 40 IKAB COc1ccc(Br)cc1CN1CCN(C2CCC(c3ccccc3)CC2)CC1 19889504 XDTQIHHVOIOJKX-UHFFFAOYSA-N 443.429 5.302 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1cccc(Cl)c1 20047859 AFXRVPRSYITPDB-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1Cl 20228400 MPAAETOTDNIFRR-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB Cc1c(NC(=O)c2ccc(CSCc3ccccc3)cc2)c(=O)n(-c2ccccc2)n1C 20238986 QLGQUWBNWXJTPK-UHFFFAOYSA-N 443.572 5.170 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 20454173 NMDZTOZSZTULIA-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB COc1ccc(OC)c(NC(=O)Nc2c(C)nn(Cc3ccc(F)cc3Cl)c2C)c1 20541164 AHJGHIIGKZJOQL-UHFFFAOYSA-N 432.883 5.002 0 40 IKAB CCc1n[nH]c(SCc2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2)n1 20611451 KRWVYXMUXXPMLZ-UHFFFAOYSA-N 437.352 5.227 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccc(C(C)(C)C)cc3)c3ccccc3S2(=O)=O)cc1 21356506 QLOSOZZDWGYWIO-UHFFFAOYSA-N 434.561 5.628 0 40 IKAB O=C(Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1)c1ccccc1 24468933 ICTCFWOSUIJGJW-UHFFFAOYSA-N 432.570 5.905 0 40 IKAB O=c1/c(=C/c2c(OCc3ccccc3)ccc3ccccc23)sc2nc3ccccc3n12 26464974 WFMMWNQBRHRAMK-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB Fc1ccc(NC(=S)N2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1Cl 26532495 QTRKKLCUQLDIAI-UHFFFAOYSA-N 432.779 5.301 0 40 IKAB O=C(NCc1ccccc1Cn1cccn1)c1ccccc1-c1ncc(-c2ccccc2)o1 27256746 OKDDBOLFYRONBG-UHFFFAOYSA-N 434.499 5.183 0 40 IKAB Cc1cccnc1N(Cc1cccs1)C(=O)c1oc2cc(Br)ccc2c1C 27663628 OUJKORLWWPTRIO-UHFFFAOYSA-N 441.350 6.116 0 40 IKAB CCOC(=O)c1c(CSc2nncn2C(C)C)nc2ccccc2c1-c1ccccc1 29769708 BUUUCQFRIMBXPU-UHFFFAOYSA-N 432.549 5.543 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 30861633 MJEIMNDSEMRGCV-RDPSFJRHSA-N 430.548 5.591 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1Cl 32126683 RJPSLDWCYBTRJV-UHFFFAOYSA-N 442.902 6.952 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)c(C)o2)cc1 32984683 OGTXUTHGRCKIBB-UHFFFAOYSA-N 439.540 5.950 0 40 IKAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccc(Cl)cc4)n3)c2)cc1 33327314 FOQOTCHDFRTRJU-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)ccc1O 35615893 IZADLNPCVHXMGS-UHFFFAOYSA-N 444.716 5.875 0 40 IKAB CC(=O)O[C@H]1C(=O)CCc2c1ccc1c2CC[C@@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C 36371916 NBPHAHNFMOQFSI-FXFYWSDDSA-N 438.652 6.961 0 40 IKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@H]3C)c12 40155218 RJTABTWXYCBUHP-OAHLLOKOSA-N 440.478 5.578 0 40 IKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(CSc2ccccc2)cc1 44873283 ZFBMGJSNCIHVAK-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44949792 WUHIBACDWILWSS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc2c(Nc3ccc(Cl)c(C(F)(F)F)c3)c(C(=O)N3CCCC3)cnc2n1 49004587 QJEFKEQGKSDWBO-UHFFFAOYSA-N 434.849 5.590 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 57303659 DHSBRFCZZNBNKU-MHZLTWQESA-N 438.575 5.326 0 40 IKAB O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 59371718 DFCKDGUVZMUWCJ-HXUWFJFHSA-N 449.175 7.182 0 40 IKAB Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1C 67295006 DUFCHQOSQLJJBM-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3nc(C)c(C)s3)n2CC(C)C)cc1 72191957 VMJFGUKOXSXZPC-INIZCTEOSA-N 429.615 5.102 0 40 IKAB CCCCS[C@@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@H](C)SCCCC 79016006 RTWDVFRSDOJFBT-HOTGVXAUSA-N 428.639 5.224 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/c3ccc(Cl)c(Cl)c3)N=C2SCc2ncno2)cc1 97035482 JZWDJBAJPPHTCC-MFOYZWKCSA-N 445.331 5.362 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C 101189162 QUYXFZXSBFUOQJ-UHFFFAOYSA-N 446.576 5.149 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1SCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104750261 MHLLKEHGHYRKTM-YSNWRPKNSA-N 436.621 5.534 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccc(C)cc1 223069604 BVDQJUXDHMOZAD-UHFFFAOYSA-N 448.588 5.124 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223313573 YLIRTFBHQHRINZ-NRFANRHFSA-N 432.967 5.052 0 40 IKAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223428625 QLZLQZUPBNVTHX-HSZRJFAPSA-N 441.358 5.052 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c1Br 223909409 RJXLNWOEGCAONT-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 223942533 UUSBVIYJKNHHEV-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 224202215 TZCVMWJMFSRUQL-UHFFFAOYSA-N 430.331 5.819 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 224669353 CVTDMBCTTHTSRQ-NRFANRHFSA-N 438.637 5.176 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 224877258 CDQPKGJHZPGBQG-UHFFFAOYSA-N 446.263 5.663 0 40 IKAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375238 SQTNCTXVLNAHND-LOSJGSFVSA-N 446.620 5.963 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 225548352 ZAWJUXWHWYLXCD-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(=O)OCC 225759956 SZNFNENXSQKRND-UHFFFAOYSA-N 437.580 6.191 0 40 IKAB CCOc1cc(-c2nnc(N)o2)cc(Br)c1OCc1cccc2ccccc12 226325605 GFVQQRYVZOMCPU-UHFFFAOYSA-N 440.297 5.212 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ccncc3c2)CC1)C1(c2ccccc2F)CCOCC1 257279285 OFXWZFSYCRDSDK-NRFANRHFSA-N 446.566 5.294 0 40 IKAB CC1(C(=O)N2CCC(c3cccc(Cc4ccccc4)n3)CC2)CCN(C2CCCC2)CC1 257297770 RISROPYCEURQOD-UHFFFAOYSA-N 445.651 5.423 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 408974936 GDVXXJYUDWWBLF-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccc(Cl)cc1 409115743 GZFLLQANSYPBON-JCMHNJIXSA-N 433.935 6.225 0 40 IKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccc(Cl)cc1 409196750 XFDXOKGLJCCRGG-RCCKNPSSSA-N 435.907 5.689 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cncc(-c3cccc(Cl)c3)n2)C1 1848355108 CCZKAELIFSAEAP-SFHVURJKSA-N 430.939 5.227 0 40 IKAB CC(Cc1ccccc1)(C1=N[C@H](Cc2ccccc2)CO1)C1=N[C@H](Cc2ccccc2)CO1 1857775541 BKDFXLZJORKSHN-CLJLJLNGSA-N 438.571 5.315 0 40 IKAB O=C(COc1ccccc1Cl)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037846023 LVYXHGIQFJMNRC-KRWDZBQOSA-N 445.346 5.357 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OCC)c3)nc3ccccc23)cc1 674361 NADUAQAESQFMPK-UHFFFAOYSA-N 440.499 5.730 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 683280 UTBPKBVVVOHFBH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)c1 830282 QQZPPSADNJJMEM-UHFFFAOYSA-N 441.575 5.995 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 883229 TVDFHRJVGVCWLF-UHFFFAOYSA-N 427.573 5.544 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 931496 CMGBDBCFIGCPDO-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB O=C1N[C@@H](c2ccccc2)Nc2c1sc1nc(-c3cccs3)cc(C(F)(F)F)c21 1017335 OGKSHIRFSHCNRY-KRWDZBQOSA-N 431.464 5.898 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 1094969 IKJOZUWFPSRJKG-UHFFFAOYSA-N 444.947 5.958 0 40 IKAB COc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1 1382295 KIMKGQVCXHWZFA-UHFFFAOYSA-N 437.834 5.018 0 40 IKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc12 1774947 PLYIFBSWOQQSQM-UHFFFAOYSA-N 443.543 6.333 0 40 IKAB Cc1cc(C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 2204038 HPCUEOFQVHEGMK-UHFFFAOYSA-N 432.951 6.111 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2Cc2ccco2)cc1 2446468 RZOWCPOHFGOTQJ-UHFFFAOYSA-N 446.576 5.551 0 40 IKAB CSc1nc2ccc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2s1 2647041 BQEWQAXRUNOMNU-UHFFFAOYSA-N 438.905 5.491 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2702756 HBXXXYKCQOATAN-HXUWFJFHSA-N 432.501 5.178 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1nnc(-c2ccccc2)o1 3308669 UNHXBXSRLNWKAV-UHFFFAOYSA-N 429.501 5.473 0 40 IKAB CC(C)c1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 3327666 MXPZAVNIWCMIOF-JOCHJYFZSA-N 430.529 5.924 0 40 IKAB Cc1cccc(OCCCC(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)c1 3329709 KIVBGYPOANCADY-UHFFFAOYSA-N 433.986 5.590 0 40 IKAB CCCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 3649112 PLFKPKOFPMZPFM-QJOMJCCJSA-N 447.604 5.448 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 5453168 GPAYFLROALHUFV-OKPKYCIKSA-N 428.701 7.771 0 40 IKAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 5477937 PQHKPUZTVFIOGO-RUZDIDTESA-N 425.532 5.030 0 40 IKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)cc1C 6161558 XRQSQFGHNFQJBQ-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)/C=C/c1ccco1 6297326 KFQWIUITCWQYES-PKNBQFBNSA-N 435.530 5.091 0 40 IKAB O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc2ccccc2c1 8384180 ZTXJIGRSFINUAO-UHFFFAOYSA-N 434.451 5.597 0 40 IKAB CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 8627696 FDSCJBNNBOEULF-MUUNZHRXSA-N 448.651 7.103 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810047 VNHHDDKYDUHNGR-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810749 RUHOQHHTCSEWJN-UHFFFAOYSA-N 444.503 5.361 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)OCc1cccnc1Sc1ccc(Cl)cc1 8857073 SBHHXAGXMFKCPL-UHFFFAOYSA-N 439.751 6.942 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8920887 MTHVBNUESRSLER-NYHFZMIOSA-N 438.568 7.117 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 9033196 OMDXLDUEOJWXPD-HOFKKMOUSA-N 428.532 5.677 0 40 IKAB biogenic Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccccc2)n1 9193185 ROWHAZXJIFTHBM-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(Br)cc2F)n1 9223218 RDAWWMJYFKRNOE-UHFFFAOYSA-N 446.345 5.540 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)cc1Cl 9307614 KGVKVEOOIANJAS-UHFFFAOYSA-N 428.772 6.130 0 40 IKAB Clc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 9307912 RFYLZLFHCCAZJS-QPJJXVBHSA-N 438.383 7.047 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)c(C)c1 9390982 TZWUWCSINPCBNR-UHFFFAOYSA-N 429.545 5.407 0 40 IKAB COc1ccc2nc(SCC(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)[nH]c2c1 9435214 ARPGTNBBMQDGJQ-UHFFFAOYSA-N 439.924 5.748 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@@H]2C1=O 9459791 DNRSHPPENRRNNQ-WWNPGLIZSA-N 432.907 5.008 0 40 IKAB Cc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c(O)c1C 9460939 HBJQGAJEPJHYOE-SANMLTNESA-N 443.587 5.396 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 9471023 UIXHTJUTUXFZPX-SFHVURJKSA-N 426.339 5.590 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)cc3)c3cc(Cl)ccc32)cc1 9554032 JLPHIBPBOHSNBF-DEOSSOPVSA-N 440.326 5.309 0 40 IKAB Cc1ccc(C(c2c(C)nn(-c3ccccc3)c2O)c2c(C)nn(-c3ccccc3)c2O)o1 9601506 XYHXGGRCXFEABW-UHFFFAOYSA-N 440.503 5.168 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9862791 PMBQNFPNWGLKAA-LJQANCHMSA-N 448.617 5.039 0 40 IKAB COc1ccccc1Oc1c(C)oc2cc(OCc3c(F)cccc3Cl)ccc2c1=O 11865242 NQYZMCSWRJIDRN-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 12375463 FXDJARUSHYGKCE-FXAWDEMLSA-N 429.701 5.938 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(F)cc1 12494837 INPCWVIZDHNUGY-YQQQUEKLSA-N 435.465 5.552 0 40 IKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(SCc2cscn2)cc1 12767309 RHPNACJFZMRWCC-UHFFFAOYSA-N 430.624 5.130 0 40 IKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCc3ccccc3C2)cc1 12940941 STJJCXYQEWBEST-UHFFFAOYSA-N 428.507 5.500 0 40 IKAB Oc1ccc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)/c(=N/c3nccs3)oc2c1 13940856 RLUHGTNGKUNMLB-PLRJNAJWSA-N 437.933 6.271 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)ccc3o2)cc1 14272528 SJKQGQDQCAGGOQ-UHFFFAOYSA-N 444.384 5.875 0 40 IKAB COCCn1c(C)cc(C(=O)CSc2nc3ccccc3n2CCc2ccccc2)c1C 14361418 ODKAHCOLOJRRHY-UHFFFAOYSA-N 447.604 5.319 0 40 IKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@@](C)(CNCc3cccc4ccccc34)CCC[C@]21C 16949670 JVRGEFPYXCXEQL-JFHPUIQFSA-N 425.660 7.763 0 40 IKAB CCOC(=O)c1csc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)n1 16956885 HALKNDOFYAVTDV-IBGZPJMESA-N 446.359 5.982 0 40 IKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N[C@H](C)c1ccccc1 17099438 NNWGVNWWGSTWID-MRXNPFEDSA-N 435.354 7.008 0 40 IKAB CC(C)(C)c1csc(NC(=O)c2ccc(C(=O)Nc3nc(C(C)(C)C)cs3)s2)n1 17112947 OFPIOQVBRZZBIB-UHFFFAOYSA-N 448.639 5.761 0 40 IKAB C[C@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)cc1Cl 18026278 MBVYBQLAAPEQAA-LBPRGKRZSA-N 436.867 5.010 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373181 XXIRAFWPSIMJHH-AUSIDOKSSA-N 425.536 5.302 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2ccc(OC)c(OC)c2)n1 19525604 MHZYQRMVNLSUOL-QFIPXVFZSA-N 432.568 5.236 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@H]1c1cc(-c3ccc(F)cc3)cc(C)n1)CCCC2 19691247 ODOSGAXLCZRSGI-DEOSSOPVSA-N 432.543 5.269 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)ccc1-c1ccc(CO)o1 20151997 WWNUMESDHFXLJN-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(Cl)c(Cl)c2)cc1 20152200 ZRXNPSRKSNAOHO-UHFFFAOYSA-N 446.403 6.145 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20239771 SAMMUFNXXJYVTJ-VWLOTQADSA-N 432.545 5.030 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 20488460 YEVSWHBVEGKHKT-UHFFFAOYSA-N 427.953 5.669 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2C)c1 21961157 NGDOROTXNJNRDL-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl 22521613 FPRCFDIYPPGBEK-QGZVFWFLSA-N 432.800 5.854 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 23723418 DFEIFUFEHSMFGQ-NRFANRHFSA-N 427.935 5.793 0 40 IKAB C/C=C/c1ccc(Oc2cnn(-c3ccc(C(F)(F)F)cn3)c(=O)c2Cl)c(OC)c1 24340093 IMRYOZIBTRMZRT-ONEGZZNKSA-N 437.805 5.134 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 24941953 VPDJFERPFXQVCI-HXUWFJFHSA-N 432.495 5.417 0 40 IKAB CC(C)(C)CC(C)(C)c1ccc(OC[C@H](O)CN2CCN(c3ccccc3F)CC2)cc1 26780380 XRXNVLYFDWQKBV-JOCHJYFZSA-N 442.619 5.101 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(COc2ccc3c(c2)OCO3)o1 28223620 CVLUHJNNBYFPQO-UHFFFAOYSA-N 439.773 5.512 0 40 IKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 28303813 PWXIXMXGTGFMJO-UHFFFAOYSA-N 431.923 6.246 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32071997 XSRUKBQQYMFTGN-KRWDZBQOSA-N 445.306 5.345 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1)c1nc2ccccc2[nH]1 40157397 DXBFBNIWHCWZPM-FQEVSTJZSA-N 433.533 5.250 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1C 67209363 WKNWJMJQDUIXAR-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc(OC)c1 67294909 WJDXQYUMEUQOBF-GFMRDNFCSA-N 441.896 5.045 0 40 IKAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 72332627 PLPOQLSFCNESQK-XUZZJYLKSA-N 447.332 5.510 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372623 SKICRZRNUKIHNO-JOCHJYFZSA-N 443.576 5.732 0 40 IKAB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1 214201946 CPYJJGXYBLIWQX-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCc1ccccc1 214352451 LDCWPRKHHCWNOI-OEAKJJBVSA-N 449.503 5.650 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219472718 ILAKPFBDCMLTRZ-NRFANRHFSA-N 428.532 5.307 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 222409771 KJVLQPPXGCSHMF-HSZRJFAPSA-N 438.612 5.003 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223603856 ZGPMXGUJFYPSGF-SANMLTNESA-N 430.592 5.496 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 223652023 OJVNFUXOCOLFFH-XMMPIXPASA-N 440.653 5.260 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223793637 FRCQHPDTTJWCHY-ZEQRLZLVSA-N 434.609 5.657 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223841887 WKPZLSIGPOGCAX-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 223993151 YMBHTHBFKWUKNY-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177414 BFAGVIMRONNRJS-DQEYMECFSA-N 440.572 5.448 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224181383 NCWCEZDZOXYLKR-RPBOFIJWSA-N 441.556 5.917 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc2ccccc12 224635975 CTSXIDRAJZKLRK-UHFFFAOYSA-N 439.555 6.995 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccc(CSc4ccccc4)cc3)s2)cc1 224708649 RPSXERVFNALBFC-UHFFFAOYSA-N 433.558 5.758 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224720245 IITYPUANLGAYQU-IBGZPJMESA-N 426.988 5.057 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)cc1 224957484 LCGZOYPWMJGHHD-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB Cc1cc(I)ccc1NC(=O)Cc1ccc(-c2ccccc2)cc1 224972376 ISQCTJHEQKYIPO-UHFFFAOYSA-N 427.285 5.448 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)c3cc(Cl)ccc3OCc3ccccc3)ccc21 225113231 SOQJDZLDPTWMEK-UHFFFAOYSA-N 438.936 5.568 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1Cl 225287958 QDMYHNWUYKLVAY-UHFFFAOYSA-N 425.328 6.091 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C(=O)OCC)c(Cl)c1 225626083 ALNVRINLFKPKFM-UHFFFAOYSA-N 434.989 5.225 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225749025 OALUTDSMMMEGHE-VGOFRKELSA-N 449.422 5.566 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cccc(OCc4ccccc4)c3)nn12 227143139 CACWJWRRUNLVPF-UHFFFAOYSA-N 438.516 5.055 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 257233497 GPOBMWHHFQXYQI-NRFANRHFSA-N 448.557 6.044 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 257247113 IXNUAYVRXCNFHK-HSZRJFAPSA-N 437.543 5.634 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC(C)(C)C)CC1 257318565 VOMKFYIALNZYKN-UHFFFAOYSA-N 434.624 5.386 0 40 IKAB C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 257345229 KGICHBLSYNZKLD-UDVHUSTNSA-N 446.719 8.446 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 408551516 DJRQMSYWVUZRHE-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2)cc1Br 408553590 AUUJRTKHAGAKBL-UHFFFAOYSA-N 441.325 5.087 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 408599829 LWHJBEUAQDKGNK-YBFXNURJSA-N 446.366 5.720 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408673511 XBWPYSXKDCGFCW-FQEVSTJZSA-N 443.543 5.370 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 409052125 GDVGGXDPFVBJAK-JCMHNJIXSA-N 437.492 5.493 0 40 IKAB COc1cc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)ccc1OC(=O)c1ccco1 409053663 GTFFUBCHYLKGNZ-XMHGGMMESA-N 445.471 5.149 0 40 IKAB CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3ccc(F)cc3)c(=O)c2c1C 409110522 DJWYRXKTFIJJBG-UHFFFAOYSA-N 442.556 6.279 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1Cl 409111876 CVALIKMEGNBSPU-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409115243 HTQMXJVVNYVSJO-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)cc1 409231473 JGPRPCUUNUHPQB-YZSQISJMSA-N 448.522 5.820 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(Cl)cc2)ccc1Cl 409381915 OXJYHCZNHTZCBB-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c(C)c1 409383167 ZWEZVAYDEKWXOQ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC(C)(C)OC(=O)n1cc(/C=C/c2nc3c(ccc4ccccc43)s2)c2ccccc21 585672955 SRNFWNDMDSMWAZ-FYWRMAATSA-N 426.541 7.358 0 40 IKAB Nc1c(C(=O)Nc2cccc(Br)c2)sc2nc3c(cc12)CCCCCC3 691608 YTILZMHPXCGULM-UHFFFAOYSA-N 430.371 5.552 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)cc1 1773537 SIIGUQCKOJUDFW-UHFFFAOYSA-N 438.593 6.304 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cccc(Br)c1 1957833 UATMIZDTFPQGKC-UHFFFAOYSA-N 449.131 6.239 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c2ccccc12 2050732 DNTIHYZEWNADBP-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB O=C(N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054602 DWHZGLDITSEUQS-AWEZNQCLSA-N 446.976 6.185 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2oc1=O 2093149 HRFWQFDOSOJGQW-UHFFFAOYSA-N 434.410 5.195 0 40 IKAB biogenic O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3c(F)cccc3F)cc2o1 2123559 RMQDTMJAMNEVGD-UHFFFAOYSA-N 432.378 5.424 0 40 IKAB biogenic C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(COc3ccc(F)cc3)nnc2s1 2183231 IYLRUJZDTMEBNN-HNNXBMFYSA-N 448.498 5.862 0 40 IKAB CCCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2398180 RLJVYTZNUDCFIL-GOSISDBHSA-N 429.568 5.108 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2403337 ZQDBBXGKHNDQAB-UHFFFAOYSA-N 430.552 6.016 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 2708587 CPVHOEXRGVOAQJ-VWNXMTODSA-N 432.391 5.719 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 2774146 BGKDPEYJIHCIBO-UHFFFAOYSA-N 439.353 5.545 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cccc(OC(=S)Nc2cccc3ccccc23)c1 3087763 JUGUFTVDBXKHLL-UHFFFAOYSA-N 448.547 7.021 0 40 IKAB O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1ccccc1F 3162737 WBBTWVSXTOBWJA-UHFFFAOYSA-N 431.557 7.380 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCCC(c1ccccc1)c1ccccc1 3337104 JDPKOGRMCKPHLQ-VWLOTQADSA-N 448.994 5.433 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1[C@@H](C)c1ccccc1)C(=O)N(C)c1ccccc1 3374138 WWKDHMZULNNLAO-OALUTQOASA-N 443.572 5.149 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1 3418252 JFVMPYGFTVPGEM-QFIPXVFZSA-N 441.556 5.303 0 40 IKAB COc1ccc(-c2nc3cc(C)ccn3c2NC(=O)c2ccc(Br)cc2)cc1 4791047 CBTIUWNZUSURFY-UHFFFAOYSA-N 436.309 5.333 0 40 IKAB COc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCCC3)cc1 8385966 OYPDHDXGINFFNR-UHFFFAOYSA-N 429.545 5.685 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 8424509 RHISFAGIRYBARC-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c(C)c1 8810363 CDIJVVMFWUUDLG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@@H](c2nnc3ccc(C(F)(F)F)cn23)C1 8825118 JQKGXMSDPSEMFX-GFCCVEGCSA-N 443.256 5.075 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c(F)c1F 8831965 CWYMUKSWBPDRPV-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB CCCCOCCCn1c(-c2ccc(Br)cc2)nc2nc3ccccc3nc21 8871025 JZXXLJJSHGBRNT-UHFFFAOYSA-N 439.357 5.616 0 40 IKAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 8921747 OWTPWMGPJHCQBY-LJQANCHMSA-N 441.484 5.091 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc2Oc2ccccc21 8961158 CDJZOPATXSSUQD-UHFFFAOYSA-N 442.924 5.222 0 40 IKAB CCCCCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 9273995 CNDIPPUHSJOMND-UHFFFAOYSA-N 438.622 6.702 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 9355565 GANIMWIHAAMTEX-RUZDIDTESA-N 449.381 7.487 0 40 IKAB COc1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1Br 9415588 XIWDFWARZSBRMD-UHFFFAOYSA-N 436.400 5.329 0 40 IKAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1ccc2ccccc2c1 9425320 OSHRWSJALXTQRT-UHFFFAOYSA-N 435.527 5.055 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9546686 RZOPSCJJKWQXSB-UHFFFAOYSA-N 435.578 5.038 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 9672272 BGGMBNPZOCTFMO-IBGZPJMESA-N 431.458 5.208 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(C)cc4c32)cc1 9676092 MZOBQDUJFKMMDW-UHFFFAOYSA-N 428.333 6.620 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c(oc3ccccc32)c1=O 9751762 BHABESLKMVOYQT-UHFFFAOYSA-N 435.549 5.407 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(C2CCCCC2)cc1 9766730 XQIDUPKOXXFSSG-UHFFFAOYSA-N 432.486 5.854 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Br)cc4)cc3)oc2cc1C 10120313 UCPZNEIXXJDOBJ-UHFFFAOYSA-N 435.321 5.804 0 40 IKAB Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 12249954 OBPDNCIUXCNRDG-UHFFFAOYSA-N 425.513 6.366 0 40 IKAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)C(C)(C)C)cc1 12389871 QOIBVQJNSOECPC-UHFFFAOYSA-N 432.586 5.046 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(Cl)cc3)oc12 12437467 SODFCJPDGTYRQA-BZZOAKBMSA-N 439.920 5.468 0 40 IKAB Cc1ccc(SCCOC(=O)/C(=C/c2cccs2)n2nnnc2-c2ccccc2)cc1 12550273 OELKDWPRCVFGAJ-PGMHBOJBSA-N 448.573 5.044 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCc2ccccc2C1 12633049 NZRYJONZZHOZHC-UHFFFAOYSA-N 429.520 5.113 0 40 IKAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1C 12776630 HNTFZARZROABHY-UHFFFAOYSA-N 430.426 5.293 0 40 IKAB CC(=O)N1CCC(Nc2nc(-c3cccnc3)nc3sc(C)c(-c4ccccc4)c23)CC1 12780816 KXPLFGNRGXTPRJ-UHFFFAOYSA-N 443.576 5.152 0 40 IKAB C[C@H](OC(=O)/C=C/c1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13072463 VMAKWNUPHIGSDL-ZCRIDZFUSA-N 448.878 5.325 0 40 IKAB COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@@H]2CCCO2)cc1 13120654 FWQFFWKSOWXHDT-FQEVSTJZSA-N 448.548 5.080 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)cc(Cl)c3)c2n1 13148745 YJWAQAYQLIXSCJ-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 13513906 GDFFLMUZYHQKRE-UHFFFAOYSA-N 428.963 6.656 0 40 IKAB Clc1ccccc1-c1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 14109159 MRSSBHUTKIFBRT-UHFFFAOYSA-N 445.038 6.335 0 40 IKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1cccc2ccccc12 14132142 RLCQCZXFAYZSIT-KOEQRZSOSA-N 437.520 6.869 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1CSc1nc2ccccc2o1 14793228 FAMBTKOVEPLPGO-UHFFFAOYSA-N 447.516 5.339 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 16035772 RLFFOORFFXPLLB-UHFFFAOYSA-N 433.257 5.030 0 40 IKAB O=C(O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 16450006 XQVZDMNYCKPKBY-UHFFFAOYSA-N 444.300 5.155 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 16491688 PQINRSNJQMUBCM-UHFFFAOYSA-N 448.440 7.158 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCC(=O)c4ccccc4)ncnc32)c1 16757726 FGTITANCBLZVAV-UHFFFAOYSA-N 435.552 6.371 0 40 IKAB Cc1ccc(-n2c3c(cc(C(=O)Nc4cc(C(C)C)c(O)cc4C)c2=O)C(=O)CCC3)cc1 16957065 PENGDHHEUFTUFN-UHFFFAOYSA-N 444.531 5.055 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 17010768 XXGNNEWJWIBIJH-UHFFFAOYSA-N 448.526 5.056 0 40 IKAB CCOc1ccc2ccccc2c1[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 17085911 JABBVOCCRBNMAF-WAIKUNEKSA-N 434.605 6.305 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3O)oc2c1 17097566 CKSYTIBWWNUOAV-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)c1 17098246 XQYOJIDVCAMEKD-UHFFFAOYSA-N 432.932 7.232 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 17101092 ROJWLHSGBJGWBP-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCC)cc1 19629752 OWEYSDSAKRHCRB-RUZDIDTESA-N 439.515 5.424 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)N(C)C)cc1 19897860 ZGGXVPBFIYZNBO-XXBNENTESA-N 444.556 5.011 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 20411188 BALBIPIFZFRFRO-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB CCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797337 YBLSRDBOVOKOIR-VWLOTQADSA-N 438.531 5.671 0 40 IKAB COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)CC(C)C)cc2s1 20895187 UUYPEDJJLSWQDO-UHFFFAOYSA-N 430.595 5.769 0 40 IKAB CCOc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969930 HCYZCIGZKHUUSX-DEOSSOPVSA-N 442.494 5.502 0 40 IKAB Cc1ccc(NC(=O)CN(c2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 22274583 JZUCDWBRYIIOOW-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(C1c2ccccc2Oc2ccccc21)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 22893918 MYASEOQRSYIKAD-KRWDZBQOSA-N 442.540 5.746 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(NC(=O)[C@H]2CCCO2)c1 22964111 VPOQGUPZJYOMBF-OAQYLSRUSA-N 443.528 5.333 0 40 IKAB CCOc1ccc(C(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 25469092 XWBQGENIMXSFES-GOSISDBHSA-N 432.520 5.179 0 40 IKAB COc1ccc(-c2ccc(CCC(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)o2)cc1 25617210 VPEHYDDKISMZJJ-QFIPXVFZSA-N 435.520 5.269 0 40 IKAB Cc1cc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)ccc1Cl 26124623 PBGUOGVBLMVUCQ-UHFFFAOYSA-N 441.318 5.362 0 40 IKAB CC1CCN([C@@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 27575197 FVOCUZQUCNMMBJ-FQEVSTJZSA-N 441.572 5.064 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)oc2ccc(Cl)cc12 28289192 ZPMCDHAZUFIRFH-QFIPXVFZSA-N 438.999 6.259 0 40 IKAB CCN(CC)CCCn1c(S)nnc1-c1ccc(COc2ccc(C(C)(C)C)cc2)o1 33580373 RUZSSIHEZPHIRQ-UHFFFAOYSA-N 442.629 5.435 0 40 IKAB Cc1sc2nc(CN3CCCC3)nc(SCc3nc(-c4ccccc4)no3)c2c1C 40067239 QSIZHNLXDLDUEI-UHFFFAOYSA-N 437.594 5.246 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 44086514 STXORLWGCYIQMK-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccc(C)cc2)cc1 44086523 YRFKGDOWPVNVJJ-UHFFFAOYSA-N 434.590 5.652 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(Cl)cc2)cc1 44087519 ZFYKTJUZFCVLCA-UHFFFAOYSA-N 441.984 5.306 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 57317270 BEDYNWYCSYDJED-VMPITWQZSA-N 440.868 5.382 0 40 IKAB Cc1ccc(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)cc1Cl 57775063 FHYROBBKODBEDO-UHFFFAOYSA-N 435.959 5.175 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 59294118 WRVUSRPDCIRXQM-NTCAYCPXSA-N 436.536 6.044 0 40 IKAB CC(C)c1nnc2c(SCC(=O)Nc3ccccc3C(F)(F)F)nc3ccccc3n12 64949214 VVTZSNMAXAAGRW-UHFFFAOYSA-N 445.470 5.151 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)cc1 72349879 MVKTUWIHNDRCIR-UHFFFAOYSA-N 447.966 5.304 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359641 FFWWKMPQABWJAJ-GOSISDBHSA-N 443.444 5.250 0 40 IKAB Cc1cc(C)n2ncc(CN3CCc4nc(-c5cccc(C(F)(F)F)c5)sc4C3)c2n1 72392028 SVYZNUFMNBTTIF-UHFFFAOYSA-N 443.498 5.047 0 40 IKAB COc1ccc([C@@H]2NC[C@H](c3cccc(OC)c3OC)c3c2[nH]c2ccccc32)cc1OC 83975920 MIBRBZIHVIFGLP-CLOONOSVSA-N 444.531 5.027 0 40 IKAB CN(CCc1cccc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1)C1CC1 95460073 MRSFPHPAAQUCCI-UHFFFAOYSA-N 428.536 5.220 0 40 IKAB O=C1C[C@@H](Sc2ccc(Br)cc2)C(=O)N1c1cc(Cl)cc(Cl)c1 100933536 OSFYLSHUWZASFG-CQSZACIVSA-N 431.138 5.180 0 40 IKAB CC(=O)Nc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 101500594 LVUAMUMQPLNJMS-UZUQRXQVSA-N 429.476 5.255 0 40 IKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccc2oc(=O)ccc2c1 102728423 KLQVPYHSTWSION-UHFFFAOYSA-N 435.892 5.336 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(SC)cc2)c1 103177088 WOAILKNGXYOOAL-DHLKQENFSA-N 432.545 5.668 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106700694 IIDUJUUSPRUWTR-XTBHVRTMSA-N 436.360 6.407 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 222556240 QIRUEDMXZGDHFL-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 223224667 MCUBGQYNUMSCLK-MRXNPFEDSA-N 431.407 5.572 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 223792303 KLUQJBOUYWBOIY-RPWUZVMVSA-N 444.560 5.100 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223851406 BYWHALKTFZJCPY-INIZCTEOSA-N 433.379 5.012 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1cc(C)cc(C)c1 224196894 CTKHMOJNVYCFMY-UHFFFAOYSA-N 443.587 5.986 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224199878 VCGPGVMXXREXRL-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 224324839 WOGFTUAFYQNNCN-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccc(C)cc1 224337863 ZJFUNMJGPPOFCZ-UHFFFAOYSA-N 431.479 6.567 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 224440741 PBOXQNNBVLUPDP-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224810593 QXOSJUUWNOGVKP-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225134245 WNVQDMXQLBMACY-DEOSSOPVSA-N 440.653 5.179 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)cc2)n1 225287124 FTIUGTDJHRMLBV-UHFFFAOYSA-N 448.419 5.518 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl 225511504 HHWRVFRTEHYKMM-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB COc1ccc(SCCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225802966 GGYXJMZNAVTCTN-UHFFFAOYSA-N 434.936 5.836 0 40 IKAB O=C(c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1)N1CCCCC1 225811101 UQZDCAJOZHHHDS-UHFFFAOYSA-N 439.600 5.250 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257238353 HKOVJAVJTLMMKD-RUZDIDTESA-N 439.003 5.294 0 40 IKAB Cc1cccc(Nc2cc(C)nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2)n1 257254399 KCXDYWWUUJXECP-UHFFFAOYSA-N 439.563 5.267 0 40 IKAB C[C@H](C(=O)Nc1ccccc1Oc1ccccc1)N1c2cccc3cccc(c23)S1(=O)=O 408602121 CJBFWENYGYSOCU-QGZVFWFLSA-N 444.512 5.168 0 40 IKAB CCOc1ccc(-c2nc(Nc3ccc(Br)cc3)sc2CC(=O)O)cc1 408890664 XILCVAFUSYYPMF-UHFFFAOYSA-N 433.327 5.342 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccccc1Cl 409116852 NCNQGGNWNPEBGE-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CC1CCCCC1 409131718 JFSKOVHYBCUGCR-BUVRLJJBSA-N 430.573 6.306 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1cc(C)ccc1C 409194422 BRFKWJDOKMOWSR-UHFFFAOYSA-N 434.605 6.598 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409206987 YAUKUTOMLBENSQ-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(OCC)c2)C1=O 409237401 ILNVQHVOYAPOKN-WOJGMQOQSA-N 449.334 5.274 0 40 IKAB CC(=O)c1cc(C)cc2c1N(C(=O)CSc1nc3ccccc3s1)C(C)(C)C[C@@H]2C 584906218 DUZXNMGLGLQVAV-HNNXBMFYSA-N 438.618 6.218 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 1848355935 VLJAAWSSPDSBKY-HSZRJFAPSA-N 428.532 5.273 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccc(F)cc2)c1C 871365 MLWROJZMMSQVBP-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)cc1OC 906279 LNSXOULBHYXCDH-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1cccc(OCC)c1 1438165 ADJOIPOEINZOEB-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB CC(C)(C)c1ccc(Oc2coc3cc(OCC(=O)NC4CCCCC4)ccc3c2=O)cc1 1913257 OMHNTYBEMHKRJG-UHFFFAOYSA-N 449.547 5.711 0 40 IKAB COC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCCCC2 2082286 OLPSHNIMMWLYFV-UHFFFAOYSA-N 433.573 5.964 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2102271 WXOPDAGQHWBVGA-UHFFFAOYSA-N 432.447 5.834 0 40 IKAB biogenic O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2227942 WOJJERBNUDMKTD-JSGCOSHPSA-N 440.878 5.188 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2245090 PQAODQOYWIQYTL-UHFFFAOYSA-N 430.552 5.701 0 40 IKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 2409918 PMASXNUKPUBJRT-HNNXBMFYSA-N 438.578 5.749 0 40 IKAB COc1ccc(Cc2noc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)n2)cc1 2479449 PFLISHYEYKKIBH-UHFFFAOYSA-N 427.891 6.205 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H](Sc1nncs1)c1ccccc1 2618838 YITMIORGFVBKIO-CQSZACIVSA-N 429.876 5.682 0 40 IKAB CCN(C(=O)CSc1nnc(C2CC2)n1-c1ccccc1)c1cccc2ccccc12 2642619 TYIIEDJOFFIRIS-UHFFFAOYSA-N 428.561 5.443 0 40 IKAB COc1cc(C(=O)OCC(=O)Nc2cccc3ccccc23)ccc1OCc1ccccc1 2653565 MSUNRKSTPPYLAL-UHFFFAOYSA-N 441.483 5.223 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1ccc2ccccc2c1 2653569 SGUIZABFCWMZRT-UHFFFAOYSA-N 429.447 5.353 0 40 IKAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2)c2ccccc12 3009780 HOCQLGQGZQWMAP-PLRJNAJWSA-N 436.511 5.648 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](NC1CCCCCCC1)c1ccccc1 3325159 GUCFCNIKKNULPZ-OAQYLSRUSA-N 438.921 6.741 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 6973770 ZNCTWZQIKCQSOU-HSWFVFMJSA-N 433.507 5.119 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 8383492 PETBJVNWTWIFMM-GOSISDBHSA-N 443.930 6.600 0 40 IKAB Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@H]2[C@H]1c1cccs1 8455580 VEDPLASXZAZMKR-GPMDQVFXSA-N 439.631 6.257 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccccc3)C2)cc1C 8720937 ICKYVLFBOMPXDO-RUZDIDTESA-N 444.003 7.436 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8755207 MNZMDRPTPKHOMM-SFHVURJKSA-N 447.941 5.960 0 40 IKAB COc1ccc2nc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2c1 8832027 COICQBZKTCHEAF-QPJJXVBHSA-N 445.327 6.524 0 40 IKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 9255870 GYYGZGZSYADILM-OAQYLSRUSA-N 428.513 5.023 0 40 IKAB Oc1ccc(Br)cc1-c1nc2ncccn2c1Nc1cccc(C(F)(F)F)c1 9289163 RXWPCMQXELUOBI-UHFFFAOYSA-N 449.230 5.627 0 40 IKAB Cn1cc([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc21 9289205 VUEHFPOWWHDTLT-XMMPIXPASA-N 429.907 5.016 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 9308963 RSBLPFILNAMXSZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1c[nH]c2ccccc12 9382290 KRNLJDOKJPOFSU-UHFFFAOYSA-N 425.945 5.139 0 40 IKAB CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OC 9409225 CPZXBSHEECQMQE-RUZDIDTESA-N 449.551 5.315 0 40 IKAB Cc1cc(C)c2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc2c1 9543708 QNBKSXRNKKTTJG-UHFFFAOYSA-N 426.394 5.244 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1C 9546558 HKBFPSBLQLUODP-NRFANRHFSA-N 439.515 5.447 0 40 IKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1Cl 9606393 TWYSAIJKDNIETR-HXUWFJFHSA-N 446.284 6.832 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2cc(-c3ccccc3)on2)n1C1CC1 9950454 ADAXAKRTXGSJFL-UHFFFAOYSA-N 438.940 5.793 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)ccc1Cl 10364676 WZMLDRYFWGNATG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O[C@@H]([C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1)C(Cl)(Cl)Cl 12376624 OVYMARCHHCDVLL-RTWAWAEBSA-N 445.777 5.948 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nc2ccccc2n1C(F)F 12525699 AFKRDSIUSJDPAW-AWEZNQCLSA-N 440.519 6.110 0 40 IKAB S=c1n(CN(Cc2ccncc2)C2CC2)nc(-c2cccs2)n1Cc1ccccc1 12544100 RFBIDJMNVOHSLR-UHFFFAOYSA-N 433.606 5.208 0 40 IKAB c1ccc(-c2nc3sccn3c2CN2CCC(c3nc4ccccc4s3)CC2)cc1 12588919 MOSBRVGFGZJQNM-UHFFFAOYSA-N 430.602 6.052 0 40 IKAB O=C(CSCc1csc(-c2ccccc2Cl)n1)N1CCC(c2ccccc2)=N1 12813422 RVRUQZAPPDNCMC-UHFFFAOYSA-N 427.982 5.333 0 40 IKAB Cc1cc(C)cc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)c1 12822946 LTLJJDARSVUUCQ-UHFFFAOYSA-N 444.516 5.854 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@H](C)c1ccccc1F 12927565 FDOSJHYVPQDHHN-GOSISDBHSA-N 429.495 5.237 0 40 IKAB Cc1cccc(Cc2cnc(NC(=O)c3ccccc3SCc3c(C)noc3C)s2)c1 13017682 YIEHBTFDIKWLSB-UHFFFAOYSA-N 449.601 6.192 0 40 IKAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 13057396 FKFQBDKFTAQOCO-JYFHCDHNSA-N 428.532 5.435 0 40 IKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N(Cc1ccc(F)cc1)C1CC1 13126502 NEKJQYBRQQWGDH-UHFFFAOYSA-N 436.552 5.196 0 40 IKAB CCN(c1ccc2sc(C(=O)N3CCCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 13610001 RWEHQNHWTSTNCQ-UHFFFAOYSA-N 442.606 5.051 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 14272843 OCZJFHUPJOEWIA-YCRREMRBSA-N 441.293 5.827 0 40 IKAB CCOc1cc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2)cc(Br)c1OC 16439847 PHULOOQDXZLJIA-NTUHNPAUSA-N 435.705 5.055 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 16610587 MWPISIPTLPTHJY-INIZCTEOSA-N 448.950 6.988 0 40 IKAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 16741859 QIAMKXBQHXBJRD-XMMPIXPASA-N 427.475 5.548 0 40 IKAB Clc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757546 COVWZVUYVKPWBO-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl 18256127 KCCFPAJBOLQVHE-IYBDPMFKSA-N 449.382 5.743 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 20411175 RODWGAYOYGIJMG-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB CC(C)Oc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1nccs1 20730934 VDORXXBEVZQIIU-UHFFFAOYSA-N 434.517 5.275 0 40 IKAB biogenic Cc1ccc(OCCSc2nc3ccc(NC(=O)c4cccc(F)c4)cc3s2)cc1 20895142 UXJIJOAOMXVDOP-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccccc3Br)c2)cc1 30868278 BPBIIWLYHDRNRT-UHFFFAOYSA-N 436.349 6.230 0 40 IKAB O=C(Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccccc2)cs1)C(F)(F)F 32986973 QHZKXIRAABTAGW-UHFFFAOYSA-N 448.857 5.817 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 33616175 TUTOPTQYNXNIAI-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB Cc1ccn2c(Nc3ccccc3)c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 35615764 OLLYVUXBPHCCMM-UHFFFAOYSA-N 427.592 7.354 0 40 IKAB Cc1noc(C)c1NC(=O)c1cc(-c2ccccc2)nc2onc(-c3ccc(F)cc3)c12 36618421 RSGNCRYUOONQIX-UHFFFAOYSA-N 428.423 5.553 0 40 IKAB C[C@@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1)c1ccccc1 40143317 HBNGNEQSSKYACU-GOSISDBHSA-N 427.504 5.383 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@H]2c2ccc(Cl)cc2)cc1 40485447 UERNHDFQGRNFGA-QHCPKHFHSA-N 435.907 5.410 0 40 IKAB CSc1cccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c1 46022451 VPCBMPREKIQNQG-UHFFFAOYSA-N 429.636 5.704 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)Nc4ccccc4)cc3c2)cc1 46058630 FYIPFUKZBMYDCH-UHFFFAOYSA-N 436.558 5.287 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCC2(c3ccc(F)cc3)CCCC2)no1 48341966 HLAQRQCPJUCLII-UHFFFAOYSA-N 425.529 5.051 0 40 IKAB COc1ccccc1N(Cc1nc(-c2ccc(C)cc2)oc1C)S(=O)(=O)c1ccccc1 48989757 NVODHVQHDJZQPR-UHFFFAOYSA-N 448.544 5.363 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 57428387 FKQMBFUKTWKSGK-UHFFFAOYSA-N 449.601 5.521 0 40 IKAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NCc1cccc(C(F)(F)F)c1 71326372 KLPVOAZBDDXCNS-UHFFFAOYSA-N 426.851 5.192 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)c(C)c3s2)n1 72228807 MUKDYUGQROJTOD-UHFFFAOYSA-N 434.565 5.350 0 40 IKAB COc1ccc(Cl)cc1C(=O)N1CCN([C@H](c2ccccc2)c2cc(C)ccc2C)CC1 72265269 XKYMLGBFFVIOKD-AREMUKBSSA-N 448.994 5.513 0 40 IKAB Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 72394597 RXBSDQBPZJQWII-OAQYLSRUSA-N 425.598 5.313 0 40 IKAB Cc1ncc(CN(C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 85878958 YLNBZYPJSQFFHU-UHFFFAOYSA-N 446.503 5.403 0 40 IKAB biogenic O=S(=O)(Cc1cc(Cl)c2c(c1)OCO2)[C@@H](c1ccccc1)c1ccc(Cl)cc1 89827621 GGVSOLUXKDARRZ-NRFANRHFSA-N 435.328 5.427 0 40 IKAB O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344486 ZCXRFEZGTYIYAD-VWLOTQADSA-N 430.592 5.230 0 40 IKAB CC1=C(CC(=O)Nc2nccs2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101450055 OWZZPDJNIRNDDL-YKKSQVCZSA-N 438.549 5.376 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 102699668 WENAUEXWDPYYJE-AUSIDOKSSA-N 447.362 5.831 0 40 IKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3onc(C)c32)cc1 102734310 VACQXHYEZVDZLT-MBSDFSHPSA-N 444.487 5.386 0 40 IKAB COc1cc(OC)c([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102865678 LWSZBFZOQJOTCJ-RUZDIDTESA-N 436.552 6.201 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccc(C)cc1 106973922 KCZKKCMDUZGGJY-UHFFFAOYSA-N 440.381 6.574 0 40 IKAB C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 110518619 MZIWRSXHNVMYEY-APRZANMYSA-N 439.650 5.665 0 40 IKAB O=c1/c(=C/c2ccccc2OCc2ccc3ccccc3c2)sc2nc3ccccc3n12 164078930 UTVYMCCEKRMPNC-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H]2c1ccc(Cl)cc1 222194226 UCLWIBNAFORYLW-LQKXZRDHSA-N 440.971 5.670 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 222689127 GXNCZORZSHCQSE-VEXUSMLFSA-N 431.630 6.521 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223223361 VMOWVEBZQVSWQC-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223492801 NXPVKUPXAWGGGW-HHHXNRCGSA-N 446.566 5.301 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223672736 RQHPQMTXUFLZBK-QFIPXVFZSA-N 428.576 5.070 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223806280 IQRQVRTZJIMMHT-QFIPXVFZSA-N 434.624 5.527 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1Cl 224136084 FLSZDKGQIRAYOH-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)c1 224290095 AFSHNUVEFMYJMX-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224325044 IZYWFUVYEBKRCD-ZEQRLZLVSA-N 425.561 5.007 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccc(Cl)cc1 224460485 VTISBRYQRLPNQY-VXKWHMMOSA-N 434.952 5.355 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1Cc1ccco1 224595746 GFSPSTCSSRWDOY-DNQXCXABSA-N 444.560 5.024 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224876207 RNKRSQOWWFYLSR-PKTZIBPZSA-N 446.963 5.408 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(OC)ccc3OC)o2)cc1 224919815 WMTQNIARUOYEBM-UHFFFAOYSA-N 444.487 5.677 0 40 IKAB O=C(NC1CCCCCC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949058 YJSUPTSGAIDQDK-UHFFFAOYSA-N 439.353 6.224 0 40 IKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 225870813 OVOHYPBLSPPECP-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB O=C(O)CCc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226342340 RBIKMSWTRZPWDP-UHFFFAOYSA-N 438.532 6.006 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257256995 KNQXIBLMTRSUGZ-KRWDZBQOSA-N 449.457 5.218 0 40 IKAB Fc1ccc(O[C@H]2COC3(CCN(Cc4cccc(OCc5ccccn5)c4)CC3)C2)cc1 257308686 TXSKUEWEAPFONE-AREMUKBSSA-N 448.538 5.002 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 257323770 WLTXHVQCMWRDPF-JOCHJYFZSA-N 437.543 5.310 0 40 IKAB C/C(=C\c1cc(Br)ccc1OC(=O)c1ccc(Br)cc1)[N+](=O)[O-] 408536034 PPBPVHYOSYYTJE-CSKARUKUSA-N 441.075 5.068 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)[C@@H]2C1 408689779 ZHPPCZUSTBCCCK-DLBZAZTESA-N 429.303 5.091 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2ccc(C)cc2)cc1 408696839 CLWZSUNTKOGEIG-UHFFFAOYSA-N 426.520 5.456 0 40 IKAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 408713837 AGBMAMVSLMVNKQ-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Cl)N1c1ccc(Br)cc1 408840167 BQPARWXUXYXOQR-CPNJWEJPSA-N 438.712 5.332 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409036049 KBSQICCJHTVXJX-AQTBWJFISA-N 428.435 5.570 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 409093802 ADFPAYDBULGRGJ-SXGWCWSVSA-N 425.699 5.138 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(OC)c2)cc1 409258634 UZVDPKUPJXOSQZ-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCc1ccc(Cl)cc1 585265991 XGLVKWHANQKOHQ-UHFFFAOYSA-N 435.955 5.073 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3nccs3)cs2)cc1 585268793 RMEWJQJAWCJGEX-GOSISDBHSA-N 426.611 5.487 0 40 IKAB CC(C)(C)C(=O)N1CC[C@@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 643550714 NMDXLQMZWSPHTJ-KRWDZBQOSA-N 438.572 5.525 0 40 IKAB CC(C)[C@@H]1C[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)c2ccccc21 685939975 PCTHXIHTUJIEHE-FIPFOOKPSA-N 441.527 5.649 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3-c3c(ssc3=S)C2(C)C)cc1OC 851498 RFKJSIIULGHRDH-UHFFFAOYSA-N 429.588 6.119 0 40 IKAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1ccccc1C(F)(F)F 1329239 YDSOUDVLIAMGQQ-UHFFFAOYSA-N 428.439 5.375 0 40 IKAB Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4c(F)cccc4Cl)o3)sc21 1401898 BSZWSVJDXFSTSF-UHFFFAOYSA-N 448.854 5.788 0 40 IKAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c(C)c1 1915279 YKMDUSOMDAYEEX-RIYZIHGNSA-N 449.934 5.731 0 40 IKAB Cc1ccccc1[C@H]1C(/C=C2/SC(=S)N=C2O)=C(c2cccs2)Oc2ccccc21 2054395 RWBUMFPLCDRAEN-NNVROAHOSA-N 447.606 6.864 0 40 IKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1 2079819 LIZLZYOZKNYYFH-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(C)cc2)Nc2ccccc2S3)cc1 2229097 PIPQZGCKBICZDC-HSZRJFAPSA-N 426.541 5.644 0 40 IKAB CCCCc1nc2sc3c(N(CCC)CCC)ncnc3c2c2c1COC(C)(C)C2 2254883 LZDARYMZBJONFO-UHFFFAOYSA-N 426.630 6.060 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1F 2256302 CSTQWRYBURWMPM-RTWAWAEBSA-N 448.548 5.761 0 40 IKAB CCCCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccccc1Cl)C[C@H](C)CC3 2335525 XTBBLVDLXIHAEB-CQSZACIVSA-N 444.000 5.353 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccccc2)cc1 2453291 HUEPXYXGATYGGT-UHFFFAOYSA-N 434.008 7.178 0 40 IKAB COc1ccc(SCc2c(CSc3ccc(Cl)cc3)nn(C)c2Cl)cc1 3105793 OHONFPSWPSUYGI-UHFFFAOYSA-N 425.406 6.320 0 40 IKAB C[C@@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 3311249 JUXQELMCTJKTDU-GFCCVEGCSA-N 447.274 5.023 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 3348157 RPDRPJRDIKWXMX-UHFFFAOYSA-N 434.974 5.291 0 40 IKAB CCCOc1ccc(-c2ccc(-c3noc(-c4ccccc4Br)n3)cc2)cc1 3584799 QSFMHXJIXWUMLG-UHFFFAOYSA-N 435.321 6.622 0 40 IKAB CCCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 4122730 QRJOULRUZVWENM-UHFFFAOYSA-N 439.581 6.020 0 40 IKAB NC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCCCCCCCC2 4651404 ASHKVIAICGPFCL-UHFFFAOYSA-N 426.626 6.028 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1 8445758 VYENZATXULXUDI-UHFFFAOYSA-N 443.566 6.736 0 40 IKAB CC(=O)c1c(C)oc2c(Br)cc(NS(=O)(=O)c3ccc(C)cc3C)cc12 8765698 MKPDQPMLPGKAAL-UHFFFAOYSA-N 436.327 5.124 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3C)s2)cc1OCC 8823474 RADGQDMBXSQLBP-UHFFFAOYSA-N 429.567 5.189 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Br)c1)N(c1ccccn1)C3=O 8827479 QKBQJRZVIIVBIH-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 8831858 ISWQQFVXOVAFSZ-UHFFFAOYSA-N 448.309 7.049 0 40 IKAB S=c1n(C2c3ccccc3Oc3ccccc32)nc(-c2ccccc2)n1-c1ccccc1 8885076 GTPLCYIWPKKPMK-UHFFFAOYSA-N 433.536 6.814 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc(Cl)c4)s3)c(=O)oc2c1 8915957 PFOHSTFNHAZOPW-UHFFFAOYSA-N 426.929 5.555 0 40 IKAB CCCSc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CC[C@H](C)C4 9165160 WWCGVLXDYYIAGW-LBPRGKRZSA-N 445.013 5.375 0 40 IKAB c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 9282113 IIVCNWHGZWASCQ-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB CCOC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1 9410050 MVYPNTSOCLAGCK-UHFFFAOYSA-N 444.487 5.639 0 40 IKAB COc1ccccc1-c1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 9448949 PJVSWAKZMWGQPH-UHFFFAOYSA-N 440.619 5.690 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cc(C)nc4ccccc34)c2)c1 9465401 MTYRADINQKMPAG-UHFFFAOYSA-N 445.544 5.213 0 40 IKAB Cc1ccccc1-c1cc(=O)c2cc(NC(=O)c3ccccc3Br)ccc2o1 9660231 ATLKTUYKFJKQTI-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB biogenic NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 9671778 YYLOTQSOXOVQMQ-RTWAWAEBSA-N 435.549 5.004 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1C1CC1)N(c1ccccc1)C1CCCCC1 9815313 VXWVGTDBKDDFBF-UHFFFAOYSA-N 433.581 5.133 0 40 IKAB Cc1cc(C)n(CCCCC[S@@](=O)c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)n1 11686745 POQMHHDKXWTFHB-HKBQPEDESA-N 432.593 5.535 0 40 IKAB investigational COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)Nc1ccccc1C 12062300 CUIUGDOPJHWUKD-UHFFFAOYSA-N 447.560 5.163 0 40 IKAB COc1ccccc1-c1nnc2sc(-c3cc(-c4cccs4)nc4ccccc34)nn12 12409119 AAASYBAHWMOFFK-UHFFFAOYSA-N 441.541 5.805 0 40 IKAB O=C(NCCC1=CCCCC1)NCc1cccc(CNC(=O)NCCC2=CCCCC2)c1 12548730 NAUCRBXOKNJQRN-UHFFFAOYSA-N 438.616 5.066 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N(Cc2cccs2)Cc2cccs2)cc1 12849845 SJXYRNGXXSAGBX-UHFFFAOYSA-N 428.579 5.999 0 40 IKAB CCOCc1c(C(=O)NCc2ccc(OCc3ccccc3)c(OC)c2)oc2ccccc12 13005746 MWJNTPJSPCYCIY-UHFFFAOYSA-N 445.515 5.487 0 40 IKAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1C1CCCCC1 13028426 LNOUHZQWZGWLPN-GFCCVEGCSA-N 428.480 5.110 0 40 IKAB c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 13787054 PLAGTODDOYBOMK-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB CC(C)CCn1c(S[C@H](C)C(N)=O)nnc1-c1cc(-c2ccccc2)nc2ccccc12 14068954 JHPKXMVKSXYHLK-QGZVFWFLSA-N 445.592 5.172 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 14141796 AINSRFFYYAAAHI-MRXNPFEDSA-N 435.574 5.448 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 14273070 CZYXXMFXLLDUCN-GOSISDBHSA-N 442.515 6.216 0 40 IKAB CCCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1ccc(Cl)c(Cl)c1 15441499 GTENWCPJTWQMEY-UHFFFAOYSA-N 432.332 5.273 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 15859975 HJRHFUZWAIIANN-QHCPKHFHSA-N 449.620 5.629 0 40 IKAB Cc1ccc(Cn2c([C@@H](Cc3ccccc3)NC(=O)c3ccccc3)nc3ccccc32)cc1 15910961 LAHYSFGRZFXKRA-HHHXNRCGSA-N 445.566 6.107 0 40 IKAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 16477262 NPZVVFHZLFFBBW-XMMPIXPASA-N 449.392 5.585 0 40 IKAB CCCCCC(=O)N[C@@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 16637785 MJKKRTCKPGXPPG-CYBMUJFWSA-N 440.120 6.164 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 17094608 UZPOOAQGUQTKDM-UHFFFAOYSA-N 425.747 5.380 0 40 IKAB Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17095206 WHQKZRIJVJHHPT-JXMROGBWSA-N 426.925 5.449 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 17095960 KEUCKKLDSRMYGY-SFHVURJKSA-N 428.532 7.049 0 40 IKAB O=C(Nc1ccc(Cl)cc1)OCC[C@@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 19075432 PZUBFEBVSOVOPX-IBGZPJMESA-N 436.339 6.019 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)cs1 19571739 SDDXBWHFCVIMCD-BHYGNILZSA-N 436.572 5.093 0 40 IKAB c1ccc(COc2ccc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)cc1 22927290 BFAGILBKTHWRQD-UHFFFAOYSA-N 448.610 6.173 0 40 IKAB Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3cc(C)ccc3C)n3c2nc2ccccc23)cc1 23382112 SJSAZYULEUWZMW-DEOSSOPVSA-N 438.531 5.078 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2cc1C 28293042 PUSLXVULACMMEF-DEOSSOPVSA-N 446.591 5.490 0 40 IKAB CC(=O)N(c1nc(COC(=O)c2ccc3c(c2)CCO3)cs1)c1c(C)cc(C)cc1C 31059660 QVVNWJGQLAEZHM-UHFFFAOYSA-N 436.533 5.045 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(F)cc1 35211724 IRIFYTQGHWYMPA-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CCC(=O)Nc1nc2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2s1 57313540 BGAZSDGFUAPQMM-SNVBAGLBSA-N 438.336 5.358 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 100429360 YQRBNQVNMVZFGP-PPHZAIPVSA-N 426.516 6.333 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(SC)cc2)cc1OC 102745799 GJMCKONYJBLBDT-OFVILXPXSA-N 432.545 5.668 0 40 IKAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 108260925 YOKMKYWVNQSTNB-UHFFFAOYSA-N 425.362 5.657 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222848773 IPDLSFLSEYSCRO-WOJBJXKFSA-N 432.376 6.029 0 40 IKAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl)c1ccc2c(c1)CCCC2 223049573 VONQKZWMSUAOCN-MRXNPFEDSA-N 428.381 5.310 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223639504 FILAURFNGOUSBT-SNVBAGLBSA-N 438.734 5.027 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 223735180 IBQLNBNBABAWCY-VWLOTQADSA-N 446.591 5.251 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223814654 MECIDRHVQSYRSB-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2Cl)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224216065 QHFUKXRSSYRFAY-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1C 224256801 VAXLMSJHKYVEBG-MOPGFXCFSA-N 444.423 5.700 0 40 IKAB CC(C)c1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224267730 QCYXORHZPVDGIQ-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccc(Cl)cc1 224673021 LKJHGFGYAVHGBI-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(NC(C)=O)cc3)o2)c1 224902190 BXZJRAISIVNMLK-UHFFFAOYSA-N 427.460 5.228 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C(C)C 225341735 FPBIQIFXFOZBBQ-DQEYMECFSA-N 448.636 6.045 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225668675 UOYXJSPUUFALEY-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC(C)CC1 225669139 NDHAKZYMERGVOR-UHFFFAOYSA-N 430.633 5.501 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225723051 APVBAEVAOASQBZ-VGOFRKELSA-N 449.422 5.566 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225870745 CGHJFHDBCHEAST-UHFFFAOYSA-N 442.028 5.699 0 40 IKAB O=C(N1[C@H]2CC[C@H]1CC(Cc1cccc3ncccc13)C2)C1(c2ccccc2)CCOCC1 257228348 FTMDMWWHGSLSHC-DQEYMECFSA-N 440.587 5.295 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 257250250 JLTAIGOMSCUNDG-JOCHJYFZSA-N 437.543 5.310 0 40 IKAB COc1cccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 408575478 OLWHZXSSWAJSEF-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccc(F)cc2)cc1 408698154 LONLCVAPNCNWAO-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 409327372 JGWVCQPZSDQHKJ-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB FC(F)(F)COc1nc(OCC(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 850711 WMEVMERLBINEAS-UHFFFAOYSA-N 444.335 5.224 0 40 IKAB biogenic Cc1ccccc1OCc1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1-c1ccccc1 898747 HSWGBCVTJXWHFO-IBGZPJMESA-N 444.560 5.274 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 989840 QAOLECUIZWAQDW-MHZLTWQESA-N 447.962 5.645 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)cc1C 1339946 LYUFGKGLXWIYOL-UHFFFAOYSA-N 433.577 5.420 0 40 IKAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1371257 IOMFYKCRPBTQBM-FQEVSTJZSA-N 439.943 5.011 0 40 IKAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378220 VSUVQKIAGOECIV-UHFFFAOYSA-N 445.950 5.767 0 40 IKAB Clc1ccc(OCCn2c(SCc3nc4ccccc4[nH]3)nc3ccccc32)cc1 1408163 SSZXLMUCWDYRKO-UHFFFAOYSA-N 434.952 5.937 0 40 IKAB C[C@]1(Br)C2c3ccccc3C(c3ccccc32)[C@@]1(C)C(Cl)(Cl)Cl 1711918 JNUYLKYUSXCNOV-HIEASXQVSA-N 430.600 6.808 0 40 IKAB COc1ccc(NC(=O)c2cccc(C(=O)Nc3ccc(OC)cc3Cl)c2)c(Cl)c1 1738932 ZXUIMVREQAQVFO-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(C)cc2C)c2c3c(sc2n1)COC(C)(C)C3 2348705 GTHQWEFMPJOIHP-UHFFFAOYSA-N 441.622 5.453 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2cccc3cccnc23)cc1 3278332 YMXIOWIGIMUBCE-UHFFFAOYSA-N 443.528 5.227 0 40 IKAB Clc1ccc(Nc2nc(-c3ccc(I)cc3)cs2)cc1Cl 3663393 NYIVRZUSKGUDJP-UHFFFAOYSA-N 447.128 6.465 0 40 IKAB CC(=O)C(C(=O)O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 3846281 RGMXZJHDZJTGFP-WDJPJFJCSA-N 448.559 5.332 0 40 IKAB biogenic CCCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1OC 5946117 UTUMDVBOSMQDOE-UHFFFAOYSA-N 425.554 5.514 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)N(Cc1ccc(Cl)cc1)C[C@@H](O)C(F)(F)F 8672353 DIWXLDADNWFYOC-OAHLLOKOSA-N 440.771 5.316 0 40 IKAB CC(C)Sc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CC[C@H](C)C4 8768544 ZASUWYAAGASVHQ-LBPRGKRZSA-N 445.013 5.374 0 40 IKAB COc1ccc([C@@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 8916523 JMERSEKGZYRQDV-QFIPXVFZSA-N 437.337 5.132 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 9036867 NFVDIFNIIGAHON-UHFFFAOYSA-N 442.540 5.117 0 40 IKAB FC(F)(F)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9076272 WTXRAXOOLHNSNI-RBBKRZOGSA-N 428.841 6.601 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1 9518343 WKMMIXUIRYIYRN-UHFFFAOYSA-N 428.488 5.655 0 40 IKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1 9660227 HJJPPFYSDDDRTK-UHFFFAOYSA-N 431.919 6.663 0 40 IKAB biogenic CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@H]2c2cccs2)cc1 9679594 BCWAAQWPHPENFX-HXUWFJFHSA-N 435.530 5.126 0 40 IKAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1cccc2c(Cl)cccc12 10128823 FJCACBGHRVONDV-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 10315316 CWIQBPFOGOVLIB-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1C 10702610 BFGXWTCCVAONSC-HNNXBMFYSA-N 446.641 6.948 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1C 12250495 TYHSWFGOLWDNTH-UHFFFAOYSA-N 427.573 6.293 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(CC)cc32)cc1OCC 12486035 QHDMFKYNLQJRAL-UHFFFAOYSA-N 443.547 5.489 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12584067 OIGGSNQUXZYHLS-QFIPXVFZSA-N 436.599 7.513 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 12806463 NUPVNUVMJNTNCU-RUZDIDTESA-N 442.515 5.780 0 40 IKAB CCN(CC(=O)Nc1ccccc1OC)C(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 12981697 MDUDQMOKCVPSRK-UHFFFAOYSA-N 447.318 5.363 0 40 IKAB c1ccc2c(c1)OC[C@@H](c1nnc3n1N=C(c1ccc(C4CCCCC4)cc1)CS3)O2 13134301 HPKRVBWFNSOSKY-QFIPXVFZSA-N 432.549 5.196 0 40 IKAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 13138548 AKMGSUWPHWDUIN-HNNXBMFYSA-N 428.315 5.696 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@H](C)c1ccccc1 13163833 ICPPGIRBMYLCDP-HXUWFJFHSA-N 438.527 5.657 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)Cc1cccs1)c1ccccc1 13498209 PJBLCIMBELYGMF-XMMPIXPASA-N 436.552 5.263 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O 13786169 IXPJGZQLQJOSEA-NRFANRHFSA-N 445.544 5.210 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc2c(Br)cccc12 13943523 VSEYKNIEAONOAF-UHFFFAOYSA-N 449.304 6.008 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5ccc(F)cc5)o4)o3)cc2C1 14242957 NUKKJHUCHWTQST-NWDGAFQWSA-N 442.541 5.965 0 40 IKAB CCc1cccc2c(/C=C3/SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c[nH]c12 15008694 ACBNUXCJQCOFNV-FBCYGCLPSA-N 440.908 5.349 0 40 IKAB COc1cc(/C=C/c2nc3ccccc3s2)ccc1OCC(=O)Nc1ccccc1F 16050434 KHLNDXJHXNCFJB-ACCUITESSA-N 434.492 5.632 0 40 IKAB CCOc1ccc([C@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)cc1 16141544 SPJKJFUROXNAOZ-HXUWFJFHSA-N 430.342 5.174 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c1 17097844 NEDWPDRFDHIRRB-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB CCOc1ccc(Nc2nc(N3CCC[C@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 17308008 YUAWNCZXXAEFDJ-SFHVURJKSA-N 428.540 5.194 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 20112627 SIOZUJFSZAGLSS-HXUWFJFHSA-N 442.968 5.330 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1ccc(-c2ccc(CO)o2)cc1 20145451 NPZLPGCISTYZFR-XYOKQWHBSA-N 437.854 6.143 0 40 IKAB C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20386526 USEVJXUDAHBZHA-YKAGIRRDSA-N 430.342 5.150 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236780 GRONKNRGQKVAEU-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CCN(C(=O)COc1ccc(OC)cc1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993106 HFNRXEJBQQCPRW-MHZLTWQESA-N 444.531 5.202 0 40 IKAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 28289485 LPILQALLGDAWRN-QHCPKHFHSA-N 446.591 5.220 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 33000433 BKYMUOGVVIXOOQ-UHFFFAOYSA-N 447.585 5.598 0 40 IKAB CC1(C)[C@@H](C(=O)N[C@H](NC2CCCCC2)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 35047589 KBOJCECEPHHEFJ-SUHUHFCYSA-N 436.638 5.312 0 40 IKAB CCn1c(CNC(=O)c2ccccc2C)nnc1SCc1ccc(Cl)c(Cl)c1 35085311 VXJDNFCHGBMLII-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 35103508 RAZUSBPSZHRZOT-DKNZLLBESA-N 445.968 6.071 0 40 IKAB S=C(c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)N1CCOCC1 35362398 RUVBDQNQLZCKAW-UHFFFAOYSA-N 442.378 5.189 0 40 IKAB Cc1sc2nc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nc(N)c2c1C 36820592 LJWIQJOEPXWRHT-UHFFFAOYSA-N 437.472 5.251 0 40 IKAB Cc1ccc(Oc2ccc(N(C)C(=O)c3c(-c4ccccc4Cl)noc3C)cc2)nn1 38670817 ZBSOPWLMAXJMQO-UHFFFAOYSA-N 434.883 5.471 0 40 IKAB Cc1cccc(Cn2c(SCC(=O)NCc3ccccc3Cl)nc3ccccc32)c1 41076830 YNCAFAVUPWGVSN-UHFFFAOYSA-N 435.980 5.455 0 40 IKAB C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 44904943 FAZSAKDALVFMCD-WXTAPIANSA-N 448.563 5.133 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C[C@H]3CCCO3)cc12 58227774 YNGCGLUXSMGIQG-OAHLLOKOSA-N 438.380 5.012 0 40 IKAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1oc2cc(Cl)ccc2c(=O)c1Cc1ccccc1 71863759 XFDRXBCVLODNAF-OAQYLSRUSA-N 441.955 6.259 0 40 IKAB COc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)cc1 72396519 TVAPHJRTJNZYRK-UHFFFAOYSA-N 449.576 5.031 0 40 IKAB COc1cc(CNC(=O)c2cc(-c3cccs3)on2)ccc1OCc1ccccc1F 72427736 HHOYFDOLGDCKFC-UHFFFAOYSA-N 438.480 5.060 0 40 IKAB CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 89953275 CTSWGEUCCZDJNH-QGZVFWFLSA-N 431.558 5.022 0 40 IKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccc(-c2nc(C3CC3)no2)cc1Cl 96006661 IDEXFHMFYLAZPN-UHFFFAOYSA-N 432.911 5.614 0 40 IKAB COC(=O)C[C@H](c1ccc(C)c(C)c1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96116067 DLVNYBCESLTWRU-OAQYLSRUSA-N 444.483 5.183 0 40 IKAB biogenic O=C1C[C@H](Sc2nc3ccccc3s2)C(=O)N1c1ccccc1Sc1ccccc1 105331141 BBXMXBRZOGQBOR-FQEVSTJZSA-N 448.594 5.872 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNc2ccc(Cl)cc2)cc1 107027184 OIRZSNUORLUOGY-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079608 JEAOXHKFKBXOGA-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 223189024 IRPBYGYILIVTNM-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@@H](C)C(=O)NCC(C)C 224139595 ZAZAIEPKFJNHAB-QFIPXVFZSA-N 430.592 5.270 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1N(C)S(=O)(=O)c1ccccc1 224196353 PIDVIOHLFRXZTI-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224210973 VVHPKVHDWZSQGC-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224592237 QWJPIGVDAVDZKL-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1ccc(C)c(C)c1 224624560 ZPJLLRHBNNZITL-UHFFFAOYSA-N 444.575 5.244 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 224635018 TUPGUYVUEYWTSA-SANMLTNESA-N 434.624 5.090 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)ccc1F 224914275 DSRXGEKQICJWDM-BJKOFHAPSA-N 434.584 6.013 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3OCC)o2)cc1 224919520 YVDIHWXUQWOVPM-UHFFFAOYSA-N 428.488 6.058 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 224984765 RWZXXFMXUORANC-UHFFFAOYSA-N 425.981 6.737 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225160354 IWZAZRWGJBGCMQ-MOPGFXCFSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 225199742 KZZGLVGTFURPAK-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(C)c(C)c1 225209259 OXFMHVSYRWYYBU-VWLOTQADSA-N 438.587 5.241 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(=O)OCC)c1 225626043 LLWQNJJYOUGYHX-UHFFFAOYSA-N 434.989 5.225 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 225684168 JJHKUXZIMLCSNC-OAQYLSRUSA-N 426.582 5.605 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)C2[C@@H]3CCCC[C@@H]23)CC1 257224193 FARSPDJXZDKQLL-JWQCQUIFSA-N 444.619 5.029 0 40 IKAB C[C@]12C[C@@H](c3cccc(C(F)(F)F)c3)N(C(=O)c3ccccc3)[C@H]1CCCCC(=O)N2 257260949 LFEIFSWUMPPAGP-JTAQYXEDSA-N 430.470 5.110 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257312358 UNOICJSDIHRWQQ-QHCPKHFHSA-N 448.473 5.301 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(Cl)c1 408564465 YLXYNBZSWZTINQ-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Br)cc1 408607298 JSJCNTPYSOLVCF-UHFFFAOYSA-N 442.309 5.347 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)c(C)c2)ccc1OCc1ccccc1 408623354 SQPZYMCGAZLQOK-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1OC(C)C 408632335 DNBDMKLEKRENMA-WQRHYEAKSA-N 446.912 5.404 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c1 408697020 DPZWHFAQOLRZMQ-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Br)o2)C1=O 408805272 FQVRACSWTVJASK-OIZPTJBSSA-N 446.390 6.096 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(OCc2ccccc2Cl)cc1 408819867 YKSWFXUHGQISGC-UHFFFAOYSA-N 439.919 5.821 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)c1 408926579 UTKYUCCOFYSOIM-GOSISDBHSA-N 440.590 5.224 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)c2ccccc21 409118015 MOXUWIISJIOYAW-JWGURIENSA-N 447.962 6.615 0 40 IKAB O=C1C[C@@H](c2ccc3ncccc3c2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730126 WTIPLJORJPPRHV-SFHVURJKSA-N 435.435 5.155 0 40 IKAB biogenic Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)cc12 1848353255 QDSOMKJZKQRVNS-GOSISDBHSA-N 433.939 5.728 0 40 IKAB CCOC(=O)[C@H](C)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 2037845445 DNZXMFMCZHVWDV-KRWDZBQOSA-N 436.581 5.080 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cc(C)ccc2C)c1C 868898 GSHGLZXSBRGLJA-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 888252 KXCDYGJOWRTLNH-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](c1ccc(O)cc1)N(CC(C)C)C(=O)c1ccccc1F 1410272 LVEDZTBSEQJUJV-RUZDIDTESA-N 448.538 5.626 0 40 IKAB COc1ccc(-n2c(N)c(C(=O)Nc3ccccc3)c3nc4ccccc4nc32)cc1Cl 2351765 JNFRWYMZSIYJJT-UHFFFAOYSA-N 443.894 5.070 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 2691393 VPTOLNYVANDUEP-UHFFFAOYSA-N 443.478 5.416 0 40 IKAB Fc1ccc(N2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 2714123 XZCWZEMBVISDAX-UHFFFAOYSA-N 449.533 5.553 0 40 IKAB COc1ccc(NC(=O)c2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc1 2750211 WZSGUVWEZZYYJE-UHFFFAOYSA-N 434.580 6.055 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CSc1cccc(C(F)(F)F)c1 3133626 GYAFJWIPEVHUQV-UHFFFAOYSA-N 446.877 7.628 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@H]2Sc2ccc(F)cc2)cc1 3227055 RPPDJUJJHDZQBO-LOSJGSFVSA-N 449.572 6.154 0 40 IKAB Cc1ccc(-c2csc(NC(=O)COC(=O)CSc3ccc(Cl)cc3)n2)cc1 3316102 PQQIVSHDCNLRIX-UHFFFAOYSA-N 432.954 5.046 0 40 IKAB CCCC[C@@H](CC)COc1ccc(-c2nnc(-c3ccc(Br)cc3)o2)cc1 3848703 XRTXNQDSOJASKD-MRXNPFEDSA-N 429.358 6.761 0 40 IKAB biogenic CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 6386557 RAXBOMADBJEYQB-INIZCTEOSA-N 427.570 5.119 0 40 IKAB CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)ccc21 8397595 SGBUYXOKZMIPTR-MFMCTBQISA-N 443.550 7.057 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 8832311 DCONLLBDHPNGGI-UHFFFAOYSA-N 444.575 6.668 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C)c1ccccc1 8856000 VWHUNWXNMZADLO-IBGZPJMESA-N 443.638 5.358 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2nc(-c3cccs3)no2)n1C1CC1 8966049 OBZNRGLJVASOMC-UHFFFAOYSA-N 445.957 5.249 0 40 IKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1cc(Br)ccc1Cl)CSC2 9404466 UQZMRPZZINXTCH-UHFFFAOYSA-N 448.773 5.596 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 9605386 YOXJYHHNHBKWEW-FQEVSTJZSA-N 439.558 5.010 0 40 IKAB COc1cc(C(C)=O)ccc1OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1 9646641 PFUYRWUCHUJGEQ-NRFANRHFSA-N 433.529 5.157 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ncccc3o2)ccc1C 9668077 UUQGIAHTDFSWQT-UHFFFAOYSA-N 428.275 5.766 0 40 IKAB CC(C)Cn1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c2ccccc2c1=O 9730229 UHNDNQXPCWOMCN-HXUWFJFHSA-N 446.576 5.030 0 40 IKAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 9763648 MDDUSWUAFKBWRN-UHFFFAOYSA-N 427.298 5.700 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 9892057 KVYMYIVPXRJMRL-UHFFFAOYSA-N 449.963 6.398 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(-c3ccc(C)cc3)n[nH]2)c2ccccc2)c1 10218261 SLVUVBFNQXLRSZ-QFIPXVFZSA-N 442.544 5.455 0 40 IKAB Cc1ccc2c(COC(=O)c3cc(-c4ccco4)nc4c3cnn4C(C)C)cc(=O)oc2c1 11043062 XOLXARAKYNRSGQ-UHFFFAOYSA-N 443.459 5.044 0 40 IKAB CCn1c2cc(C)sc2c2cnn(CC(=O)Nc3ccccc3-c3ccccc3)c(=O)c21 12142714 SOUXXHBCUBXWTP-UHFFFAOYSA-N 442.544 5.047 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12192298 PGRMMXIICDRNCJ-VPUSJEBWSA-N 428.532 6.116 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C(=O)c1c(-c2ccccc2)cc2ccccn12 12585157 XSORNHSTGIXMGG-UHFFFAOYSA-N 437.268 5.329 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12600513 GZYVZMWMBUTUMQ-ZLHSVIROSA-N 431.356 5.308 0 40 IKAB CCCCCN1CC(=O)N2C[C@@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12872821 JCBNIGDJJIATDY-FNZWTVRRSA-N 449.982 5.043 0 40 IKAB biogenic CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)CCc1ccc(C(C)(C)C)cc1 12904572 RNQRTYFSPAOKCX-UHFFFAOYSA-N 439.987 5.245 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1OCc1ccccc1Cl 13010984 AIFYDRARMKWWEC-UHFFFAOYSA-N 436.939 5.247 0 40 IKAB COC(=O)c1c(NC(=O)COC(=O)C2CCC(C(C)(C)C)CC2)sc2c1CCCCC2 13146019 JOYHLYLKKZGBAR-UHFFFAOYSA-N 449.613 5.138 0 40 IKAB Cc1ccc(OCCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 13226953 TZXJDGYNUCFJFW-QFIPXVFZSA-N 444.579 5.144 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 13925308 WAOBHMCINPCBJA-MOSHPQCFSA-N 438.266 5.557 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 14273305 OJLOKQCCIPWUSV-INIZCTEOSA-N 442.625 5.313 0 40 IKAB O=C(CCCc1nc2ccccc2s1)N1Cc2cc3c(cc2C2(CCCC2)C1)OCCO3 14419677 NSDSAXRTPZWVCO-UHFFFAOYSA-N 448.588 5.244 0 40 IKAB CC(=O)c1cccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 15778729 RXLZHJBMXRVIKI-NRFANRHFSA-N 446.894 5.504 0 40 IKAB Cc1ccc(NC(=O)Nc2cccnc2Cl)cc1NC(=O)Nc1cccnc1Cl 16046478 RXLCDPCJCMZVJO-UHFFFAOYSA-N 431.283 5.380 0 40 IKAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 16348789 OEWQNUDFMDYLDR-WEVVVXLNSA-N 430.316 6.218 0 40 IKAB Cc1ccccc1/N=c1\scc(-c2ccc(Br)cc2)n1-c1ccccc1C 16711471 ABZCQTWCNXGMMS-BZZOAKBMSA-N 435.390 6.818 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]32CSC(=O)N2c2ccccc2)cc1 16712041 GYYCHPLVFWVGCJ-RCZVLFRGSA-N 443.528 5.266 0 40 IKAB COc1cccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)c1OC 19567904 RGVQEEZEABERCS-FQEVSTJZSA-N 436.508 5.205 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@]2(O)C1 19802558 MCXULCLKYCWUMP-YQBGFEHGSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro CC(C)c1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 20610568 ZPYPBRGOZLQWCX-UHFFFAOYSA-N 446.963 6.664 0 40 IKAB COc1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 22076757 NXMLWAVUXLIKGO-UHFFFAOYSA-N 430.317 5.466 0 40 IKAB O=C(NC1CC1)c1ccc(CN(Cc2csc(-c3ccsc3)n2)Cc2ccco2)cc1 24762928 PGCSEFLPRDRZHH-UHFFFAOYSA-N 449.601 5.559 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25900076 BFXYSUVVUGHRGQ-OZXSUGGESA-N 428.557 5.186 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 30756965 ITYABVHIJXIYLB-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 30945296 NJVMFLNXVFSBEC-FQEVSTJZSA-N 429.539 5.804 0 40 IKAB CN(c1ccc(Oc2ncnc3cc(Cl)ccc23)cc1)S(=O)(=O)c1ccccc1F 32907679 GKYFFVHWXRTPEF-UHFFFAOYSA-N 443.887 5.040 0 40 IKAB Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4ccc(C)c(C)c4)ccc3C)nc2c1 33068078 FGSVFUCTIUDIRK-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 35550859 KJNSHWRAMQNRCS-IVMMDQJWSA-N 443.392 6.369 0 40 IKAB CC(=O)c1ccc(-c2ccc([C@H]3CC(O)=Nc4c3c(C)nn4-c3ccc(Cl)nn3)o2)cc1 36357232 XSEWQRQHYRINAC-MRXNPFEDSA-N 447.882 5.210 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c(C)c1 57425421 WCDMGSHGKLEKGI-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)OCc1csc(-c2ccccn2)n1 65342129 CTSBYCLCPBRWJY-UHFFFAOYSA-N 427.938 5.647 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4ccc(CC)cc4)c(=O)c4ccccc34)n2)cc1 67245326 GSOLHZVTHKLEKA-UHFFFAOYSA-N 437.499 5.669 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccsc23)CC1 70007246 YRGIAHBLTDFEEV-OAQYLSRUSA-N 435.597 5.384 0 40 IKAB Cc1ccc2c(-c3ccccc3)c(C3=NN(C(=O)C(C)C)[C@@H](c4ccco4)C3)c(=O)[nH]c2c1 79047030 XPVMXGBKTQADPK-JOCHJYFZSA-N 439.515 5.430 0 40 IKAB C[C@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073080 OQJOBVMVAKQQKT-AWEZNQCLSA-N 426.285 5.561 0 40 IKAB C[C@@H]1CC[C@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@H]2[C@@H]1C 104131449 ULWYRERWMYGJNF-LLDCCMONSA-N 426.729 7.859 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccc3ccccc3c2)cc1OCc1ccccc1 107626284 MLEOJMYMURAIQU-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222835001 RGVQWBAKPCROPF-CQSZACIVSA-N 441.786 5.336 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222891230 NJWUBKDOZJDNNO-VQTJNVASSA-N 429.998 5.862 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222942652 TTXFYMQGFLUYQG-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C 223359172 DCZLFYHSODIXOI-RPWUZVMVSA-N 428.561 5.255 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223551927 FEOCKSLRNKJUSD-GOTSBHOMSA-N 430.508 5.048 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N(C)Cc2ccc(C(C)C)cc2)c1 224077400 KTJBLAFCXWEEAR-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224345978 AFFJYEUIVMRPMC-UHFFFAOYSA-N 441.980 5.622 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)cc1 224499492 XUSABOLPQSVUIE-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 224628181 UCQKOCJZLIFMCH-XMMPIXPASA-N 440.653 5.116 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225346266 YGIOJLHGDDYXOR-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225547462 VPUCNPIYBWWEBE-OFVILXPXSA-N 438.612 5.219 0 40 IKAB C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253498548 KGICHBLSYNZKLD-RJJCQPRKSA-N 446.719 8.446 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1c1ccccc1 253617345 SSHZMKOIMDTLHW-MKJPHVJISA-N 446.631 6.541 0 40 IKAB Cc1ccc2oc(CN3CCCC[C@@H]3C[C@H](NC(=O)C(C)(C)C)c3ccccn3)c(C)c2c1 257241912 IAFKJXIADCKNDQ-QPPBQGQZSA-N 447.623 6.093 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 408558895 WNLLWNIHDQLYOL-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408571333 BCTLWASMMXICAU-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408575264 NNDXZHOWPXLXMH-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Br)cc2)cc1 408578154 WEYRJYBMUNXRLE-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1Br 408642026 MCJCTGWZSKOERE-LLVKDONJSA-N 442.140 5.056 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c3ccccc3n2)cc1 408672770 WTHCKMFINZVECB-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCCCCC1 408703794 HFNNDZCCLBNMIX-QHCPKHFHSA-N 428.985 5.130 0 40 IKAB COc1cc(/C=C/[N+](=O)[O-])ccc1OCc1ccc(Br)cc1Br 408782226 FVIBRXAVSXGHHL-VOTSOKGWSA-N 443.091 5.047 0 40 IKAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408805551 GPEJQIJMGMNRFS-HFSVPUNZSA-N 442.004 6.403 0 40 IKAB COc1ccc([C@@H](CC(=O)NCC2(c3ccccc3)CCCCC2)c2ccccc2O)cc1 524734715 GUWAIGJYHBVHAE-AREMUKBSSA-N 443.587 5.941 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1083103385 RGMOWKMCHFVBQH-DEPWHIHDSA-N 435.490 5.012 0 40 IKAB O=C(N[C@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccccc1Cl 1615021636 MNPSDSVUAONOBI-CQSZACIVSA-N 447.960 6.152 0 40 IKAB CC(C)[C@H]1CC2(CCN(C3CCN(C(C)C)CC3)CC2)CO[C@@H]1c1ccccc1Cl 1615154127 DZBRRJKFPCYHIT-ILBGXUMGSA-N 433.080 6.029 0 40 IKAB O=C(/C=C/c1ccc(Br)cc1)Nc1ccc(-c2nc3ccccc3o2)c(O)c1 722730 VANKDHAUOYRUAM-KPKJPENVSA-N 435.277 5.615 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2O)n1Cc1ccccc1 1223752 FEGKRWRVDGCGRC-GOSISDBHSA-N 444.560 5.127 0 40 IKAB COc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)cc2c1 1339494 UWNYPVKELAQDHS-UHFFFAOYSA-N 443.374 5.922 0 40 IKAB CC[C@H](C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(OC)c4)n3)ccc21 1366808 NOGHOYIGDORKCB-HNNXBMFYSA-N 435.549 5.006 0 40 IKAB CC(C)c1nc(SCC(=O)Nc2ccc3c(c2)OCO3)c2c3c(sc2n1)CCCC3 1377467 QPYRGACPFJQMAG-UHFFFAOYSA-N 441.578 5.153 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)CN1c1ccccc1 1448242 KCPZALYPRVFHHM-QGZVFWFLSA-N 436.342 5.912 0 40 IKAB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1ccc(Cl)cc1 1599626 VPFNFDIBEGVBKL-UHFFFAOYSA-N 430.934 6.320 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12 1795857 WXSYKZKRMRGNLX-UHFFFAOYSA-N 443.565 6.012 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1 2050787 JRKCFSFJOWBSFT-UHFFFAOYSA-N 436.511 7.079 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)c3ccccc3n2)cc1 2073167 SLUMDNVPSRXMAZ-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(F)cc2)cc1 2088898 QGBBBQSHQHBWGN-COOPMVRXSA-N 430.435 5.233 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2246859 BNFLWZRLAJJHTR-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccc(Cl)cc2)cc1 2415060 TZNHIPDLHKGJFJ-UHFFFAOYSA-N 427.907 6.467 0 40 IKAB Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)nn1Cc1cccc(C(F)(F)F)c1 2728732 PVMZKOCLFSLOMC-UHFFFAOYSA-N 440.469 5.701 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133298 GQNGSDJVZLIVGK-UHFFFAOYSA-N 433.739 5.816 0 40 IKAB Cc1ccc(-c2nc(Oc3ccc(Br)cc3)nc(-c3ccc(C)cc3)n2)cc1 3179034 OOXBYAPZHPHJKV-UHFFFAOYSA-N 432.321 6.377 0 40 IKAB CN(C)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1 3182172 XHPUYICJDOILJN-UHFFFAOYSA-N 427.571 7.030 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc2c(c1)OCCO2 3265524 RUPITYXRRBCEJX-UHFFFAOYSA-N 443.908 5.269 0 40 IKAB Cc1ccc(Oc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 3284693 HTWNUXCHOSWGTD-UHFFFAOYSA-N 439.005 7.226 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccccc1Cl 3288545 OSFVTTKZEBNJGZ-CQSZACIVSA-N 429.925 5.651 0 40 IKAB CCc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1 3364577 GULOWMIVFSDYDM-UHFFFAOYSA-N 433.533 5.036 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 4768003 JYJCLAIKRCNNQV-DEOSSOPVSA-N 442.950 6.234 0 40 IKAB CC(C)Oc1ccc([C@@H](CCN[C@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 5501240 HWPUVKJLWUXEAN-BCHFMIIMSA-N 425.975 7.139 0 40 IKAB COc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 6282053 UKPGYJDQFJTMFX-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB Cc1cccc(C)c1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7929451 NBRCWVTYHNQMRC-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 8832182 HRUZLMBTKLZOLW-UHFFFAOYSA-N 442.906 5.796 0 40 IKAB COc1ccc(-c2c(NC(=O)c3cccc(C)c3)oc3c(sc4ccccc43)c2=O)cc1 8836306 AMNPBLDVRBIXJY-UHFFFAOYSA-N 441.508 6.244 0 40 IKAB CSc1nc2cc(Cl)ccc2c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl 8873345 CZPXKKWDNPBDRF-UHFFFAOYSA-N 429.756 5.855 0 40 IKAB COc1cc(C(=S)N2CCN(c3ccccc3)CC2)ccc1OCc1ccc(C)cc1 9189295 JBLNPYSZCNWNMQ-UHFFFAOYSA-N 432.589 5.080 0 40 IKAB c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5cccs5)nc4c32)cc1 9281034 LYKUJNBACUZJCG-OAQYLSRUSA-N 432.508 6.292 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 9348821 KHQLTQXYJNDAJV-UHFFFAOYSA-N 444.668 5.721 0 40 IKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O 9410796 FKRNECMXPDJJDI-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1c2ccccc2SC[C@H]1c1ccccc1 9464477 DVPRUXPWKAJELM-FQEVSTJZSA-N 448.617 5.463 0 40 IKAB COc1cc(OC)cc(C(=O)N(Cc2ccccc2)c2nc3c(C)cc(C)cc3s2)c1 9525611 AVCTXSCJZIFDSB-UHFFFAOYSA-N 432.545 5.777 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)cc4)c3n2)cc1OC 9594887 XHXCOLJANHJKTM-UHFFFAOYSA-N 427.426 5.740 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc2C1 9833966 IKWNHCOSCFQMBB-QGZVFWFLSA-N 446.601 5.061 0 40 IKAB COc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(SC)cc3)nc12 11143907 RYVNREJTXBLHLW-MRXNPFEDSA-N 428.579 5.161 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccc(Br)cc1 12226081 MNWANXPNVXHUPU-UHFFFAOYSA-N 427.220 5.069 0 40 IKAB C[C@H](NC(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 12631313 HOWHGGJWBVJQGK-DLVCFXQMSA-N 447.000 5.569 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C4CC4)nc4ccccc34)n2)c1 12758493 DAFDLAUWDFUMCW-UHFFFAOYSA-N 431.517 5.505 0 40 IKAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccc(-c3ccc(Cl)cc3)s2)CC1 12798457 MQWRKATZHDWWHY-UHFFFAOYSA-N 425.937 5.509 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12849402 SBXHVRDJGIZGET-XHDPSFHLSA-N 442.850 5.216 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nc2c1 12879520 REQGIVUAXJJKCW-ZDUSSCGKSA-N 436.865 5.955 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccnn1Cc1ccc(Cl)cc1 12882272 LIXIUPOOWUOZST-UHFFFAOYSA-N 443.359 5.543 0 40 IKAB Cc1noc(CSc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)cc2)n1 12986890 RKJPWIBDCMTCOM-UHFFFAOYSA-N 436.562 5.032 0 40 IKAB Brc1cc2c(cc1CSc1nnc(-c3c[nH]c4ccccc34)o1)OCO2 13028092 RVEPGFAOCUHXQQ-UHFFFAOYSA-N 430.283 5.001 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 13114979 UXSSUVMDXFZULB-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 13141241 NCLMZHYUJGFOEQ-QGZVFWFLSA-N 440.638 5.405 0 40 IKAB Cc1ccc(-n2c(SCc3nc4cc(Cl)ccc4[nH]3)nnc2-c2ccccc2)cc1C 13524559 WCWWBUDEDCWBNC-UHFFFAOYSA-N 445.979 6.373 0 40 IKAB O=C(NCCSCc1ccccc1Cl)N1c2ccccc2Sc2ccccc21 13717104 ZINOCHPPFOULJQ-UHFFFAOYSA-N 426.994 6.586 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 13805392 XCEYLXKLJKUVGF-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1 13844316 JEDCGFGZYOTSNY-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1Cl 14154202 QADRSXOSGVWZQM-UHFFFAOYSA-N 431.985 5.689 0 40 IKAB Cc1cccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 14272039 VFERKKAFSGIFDL-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 14358116 CUHIOSOWUYTHKY-KDIMLMLESA-N 445.603 6.020 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCCOc1ccc(Cl)cc1 14400808 FKVQOQDDXFZDGB-UHFFFAOYSA-N 425.981 6.738 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2Cl)c2ccccc2)cc1 14412373 YFBUHFRZGPHSHR-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCC[C@H]1c1ccccc1F 15671025 DOECBCCNWTXFJJ-KRWDZBQOSA-N 444.388 5.125 0 40 IKAB CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 16837189 FZFDCPRMECRLEO-UHFFFAOYSA-N 449.601 5.664 0 40 IKAB Cc1ccc2nc(NC(=O)CCc3csc(NC(=O)Nc4ccccc4)n3)sc2c1 16849060 RWAVYQGMEKZXKQ-UHFFFAOYSA-N 437.550 5.277 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 17103148 CEGJANYHBJVGCD-CQSZACIVSA-N 439.342 7.567 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 17112894 KLTHKIQPZGROKV-UHFFFAOYSA-N 448.588 5.378 0 40 IKAB COc1ccccc1CNc1nc(Nc2cccc(C)c2)c2cnn(-c3ccccc3)c2n1 17135446 NLFLRBYQFOGRKK-UHFFFAOYSA-N 436.519 5.488 0 40 IKAB C[C@@H]1O[C@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 17207553 FPILFFLXHSKNOF-CIGLBZRHSA-N 446.550 7.424 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1ccc(-c2ccc(F)cc2)s1 24091075 SKILNBLVWRTGJY-UHFFFAOYSA-N 449.507 5.152 0 40 IKAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1 28527176 BITMWSWZCWYRSI-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 32119117 WDZGDLGWKFITAP-UHFFFAOYSA-N 445.371 7.458 0 40 IKAB O=C(CSc1ccc2ccccc2c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 32693173 PRERBSLABVSOQW-UHFFFAOYSA-N 446.494 5.426 0 40 IKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccccc1CSc1nc2ccccc2o1 32744902 STYIZBQRAHZZDN-UHFFFAOYSA-N 443.528 5.499 0 40 IKAB CCOc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1ccc(Cl)cc12 33251391 WFJRHLQJPOJZNJ-UHFFFAOYSA-N 431.926 5.288 0 40 IKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3cccc(Cl)c3)o1)CC(O)=N2 36366102 XVJZEQATPAKBJN-AWEZNQCLSA-N 440.290 5.661 0 40 IKAB CC(=O)O[C@H]1C(=O)CCc2c1ccc1c2CC[C@@]2(C)[C@@H]1CC[C@H]2[C@H](C)CC[C@H](C)C(C)C 36371915 NBPHAHNFMOQFSI-PPFKNVMVSA-N 438.652 6.961 0 40 IKAB Cc1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1N1CCCC1=O 38697031 YQLFJMMPFPGONN-UHFFFAOYSA-N 430.348 5.412 0 40 IKAB COc1cccc(OCCOc2ccccc2/C=C2/N=C(c3ccccc3Cl)OC2=O)c1 41082723 KUIZZLVLDGHZID-PXLXIMEGSA-N 449.890 5.151 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCCCC1 44087682 KSLJDPFNBXZVMS-UHFFFAOYSA-N 445.510 5.663 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44885266 RHPFMCKNRBJZBD-SANMLTNESA-N 443.518 6.032 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4cccc(Cl)c4)c3)cc2)cc1 49422235 OYHFJEPNLUOHQU-UHFFFAOYSA-N 444.922 5.398 0 40 IKAB CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C 51330458 FCHAMQYISDHWJM-MMRWGBFTSA-N 442.588 5.612 0 40 IKAB CC(=O)c1ccc(N2CCN(c3cc(C)nc(-c4ccc(C(F)(F)F)cc4)n3)CC2)cc1 57477788 HSOVJUMPVJMGLR-UHFFFAOYSA-N 440.469 5.000 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@@H](c1ccc(F)cc1)c1cccs1 57541858 GZQOVTRWNODYQI-QKKBWIMNSA-N 432.948 5.564 0 40 IKAB CCCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339355 SDPNPSMTUOMWRH-CSKARUKUSA-N 442.309 5.804 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(F)cc2)n1CCc1ccc(Cl)cc1 71327659 HLZSELIPXZRMFK-UHFFFAOYSA-N 430.957 5.786 0 40 IKAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3[C@H](CC)c3ccccc3)n2)cc1 71844214 ZXJKIBLFDXDDCM-PKTZIBPZSA-N 433.552 5.253 0 40 IKAB COc1cc(C(=O)N2CCCN(Cc3ccccc3)c3ccccc32)ccc1OC(F)F 72291474 QJVKKHLYIAYURD-UHFFFAOYSA-N 438.474 5.354 0 40 IKAB Cc1cccc(OCCn2c(NC(=O)c3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 95481313 LHJOTWXFSJTPGD-UHFFFAOYSA-N 427.548 5.974 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)NCc2nc(-c3cccc(Br)c3)no2)cc1 95482216 PFIGSAAEGXPKKK-FMIVXFBMSA-N 440.341 5.126 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)cc1 98087281 NOCXLINKNHZELW-UHFFFAOYSA-N 445.470 5.421 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1C 101189201 WFZIITBXUAMHCD-UHFFFAOYSA-N 445.386 5.099 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccccc2)C1 102667098 AGNJPSRFCATBJL-BUXKBTBVSA-N 446.379 5.640 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 107674743 WOECZEHHQQFTKT-UHFFFAOYSA-N 429.347 6.350 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cccc(Cl)c2)cc1 142551093 NILFQQMROLUMDJ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O[C@H](C)CC 214634691 MOPJMKAZXSQSBU-FEMWLQECSA-N 425.550 5.808 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 216282641 SDMKPEVRAJPACO-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222677400 XWKCFKKRFXSJGN-GOSISDBHSA-N 447.044 5.214 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 223376145 CPOUEFDIZMEHGT-BJKOFHAPSA-N 444.991 5.698 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc4c(cc3OC)CCCC4)ccc21 223970674 KELZZDCCGXJIIE-UHFFFAOYSA-N 434.561 5.503 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COc1ccccc1C 224104445 VSWYRQISIWDSDZ-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224518625 YZBCSFXALMAAAH-UHFFFAOYSA-N 431.576 6.200 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc4ccccc4c3)c2)cc1 224642742 QXDUTTWOVNIGTF-UHFFFAOYSA-N 441.527 6.469 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224659909 YAJPBTGUIRHWJM-SANMLTNESA-N 436.640 5.631 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225344978 BBRNRHFCLZITHW-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 225403231 PNTPHAZIWZQXLA-FQEVSTJZSA-N 430.548 5.454 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225863531 MOAOKMAVCAGPNL-UHFFFAOYSA-N 431.001 5.749 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1Cl 225936335 PDHBLPAMSPTZNQ-UHFFFAOYSA-N 441.958 6.516 0 40 IKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 226769346 JKBMEYQLDGSTAI-UHFFFAOYSA-N 442.240 5.498 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 255942125 ZCQLKZLOVLXTMA-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@H]32)nnc1-c1ccccc1 408534600 TUNMGRZFXWJESQ-QUCCMNQESA-N 446.601 5.059 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NC(=O)c1ccccc1 408606388 LURCPCAFGWEEHR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)c1)c1ccccc1 408683964 NVTAUHNGCCJDNZ-WKEDTZOBSA-N 446.506 5.388 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1ccccc1Cl 409099580 RDHXNSOSCXECKP-MTJSOVHGSA-N 428.340 6.658 0 40 IKAB COc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1OCc1ccccc1 409204889 LQHUNSRGPCOVOX-BKUYFWCQSA-N 448.906 5.021 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\S(=O)(=O)c1ccccc1 409207363 STGPIZDESDFZCW-GYHWCHFESA-N 440.977 5.364 0 40 IKAB O=C(O)c1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409337014 SJOHSWVVQUXVAQ-KMGYJMAQSA-N 442.309 5.173 0 40 IKAB Cn1c([C@@H]2CCCN2C(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)nc2ccccc21 524735289 OHSSLCHHZJYGQR-XZOQPEGZSA-N 432.955 5.371 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(Cc3cccc(F)c3)n2)C1 1848355086 SUGCPQUSUOATKK-FQEVSTJZSA-N 427.523 5.242 0 40 IKAB Cc1ccc2cccc(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)c2n1 670890 HNAXWWWRWXGWIE-UHFFFAOYSA-N 429.932 6.726 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 790431 DMIZFXRRPARKGW-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(CCC1=CCCCC1)C(=O)C(F)(F)F 800168 CLNYVYXCUGPHMQ-GOSISDBHSA-N 428.520 5.129 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 874565 JMQLHBWEOBDBDN-UHFFFAOYSA-N 446.551 5.078 0 40 IKAB CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(O)cc1 886730 WLUQJWDQXAZKGP-GOSISDBHSA-N 444.560 5.516 0 40 IKAB COc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 1265027 HAKVAUWXPOSGHR-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc2c1 1327132 JCTPLHUJJKAQQA-UHFFFAOYSA-N 435.911 5.571 0 40 IKAB Cc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1C 1380136 IDKKJGVQKALVJW-XMMPIXPASA-N 434.511 5.482 0 40 IKAB CC(=O)Nc1ccc(Oc2nc(SCc3ccc(Cl)cc3)nc3c2CCCC3)cc1 1398474 OTIKCYDILIOQMC-UHFFFAOYSA-N 439.968 6.052 0 40 IKAB CCOc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OCC 1422170 ORVZISZRLHMLTN-UHFFFAOYSA-N 443.503 5.382 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)N(c1ccccc1)c1ccccc1 2074068 CPYIRUPTPZXBKY-UHFFFAOYSA-N 447.563 6.754 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3c(C)cccc3C)c2c1 2074109 PRTIVZHKINNHCP-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB CCOC(=O)c1sc2nnc(-c3ccccc3)c(-c3ccccc3)c2c1-n1cccc1 2150267 OSGOXTRFUVOGML-UHFFFAOYSA-N 425.513 5.993 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 2200518 VSORMYANUPOQHR-IBGZPJMESA-N 432.432 5.193 0 40 IKAB COc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2249140 IIGQRHGMKPKIEP-YADHBBJMSA-N 448.935 5.214 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(N(c3ccccc3)c3ccccc3)sc2Cl)cc1 2318431 KMJRHFAEOWZZTC-UHFFFAOYSA-N 440.977 6.408 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2Cl)cc1 2433099 IBTORNMBNULERS-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB Cc1ccc(C(=O)N/C(=C/c2ccccc2Cl)C(=O)Nc2ccc(Cl)cc2)cc1 2677833 PPZXBMJIONZCEU-KGENOOAVSA-N 425.315 5.711 0 40 IKAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(C(F)(F)F)c1 2706442 CFZGCGIOTANTCU-UHFFFAOYSA-N 439.532 5.487 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2775934 XLHPVBGJQSPRNM-UHFFFAOYSA-N 431.333 5.937 0 40 IKAB COc1ccc(C(=O)Nc2nn(Cc3c(Cl)cccc3Cl)cc2Cl)cc1OC 2805386 VRIYOIGBDXRWOA-UHFFFAOYSA-N 440.714 5.161 0 40 IKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1cc(Br)ccc1Cl 3274659 OJZJAYPMIOGJCW-UHFFFAOYSA-N 449.729 6.279 0 40 IKAB O=C(CC(=O)Nc1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 3276778 KHHPHLOXCANWFJ-UHFFFAOYSA-N 438.483 6.239 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(Nc2ccccc2C)s1 3323654 BLENPIDKFKAPRH-UHFFFAOYSA-N 434.974 5.291 0 40 IKAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3323723 OZDODFNOFOLCTN-LLVKDONJSA-N 426.851 5.059 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)cc2)cc1 3376143 PMJZQTLCQWUOJU-OMCISZLKSA-N 429.516 6.547 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)CCN1CCC(C)CC1 4278801 NWEMWXPQKBBACN-UHFFFAOYSA-N 428.598 5.269 0 40 IKAB O=C(c1ccccc1)c1sc(NC(=O)c2cccc3ccccc23)nc1-c1ccccc1 4427917 KYYHUWJRBWHBGI-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)NCCc4ccc(Cl)cc4)c(C)c32)c1C 8613022 ZWHNNCSOHVPMCN-UHFFFAOYSA-N 437.923 5.328 0 40 IKAB O=c1[nH]nc(CNc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)c2ccccc12 8733494 YWUCZGYCZNLMON-UHFFFAOYSA-N 446.816 5.395 0 40 IKAB COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)c1 8791601 GDAKCWPSFNXJJF-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 8988544 AREFADZJZSHSDA-HZPDHXFCSA-N 433.021 5.310 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1OCC 9136236 JHMIMTGNRLRPSQ-UHFFFAOYSA-N 444.531 5.216 0 40 IKAB COc1ccc(OCCS[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 9244649 YPDIOYQZJADTRU-CYBMUJFWSA-N 444.603 5.595 0 40 IKAB CC(C)N(C(=O)COc1ccc(-c2nnco2)cc1)c1ccc(Nc2ccccc2)cc1 9338987 DMITVOLKTVEQHO-UHFFFAOYSA-N 428.492 5.301 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(-c2ccccc2)cs1 9544907 KGQNCQZILLKMTL-AWEZNQCLSA-N 425.604 5.732 0 40 IKAB COc1ccc(NC(=O)c2ccccc2NC(=O)c2ccc3ncsc3c2)cc1Cl 9562773 CHXFFTZUQRDCEG-UHFFFAOYSA-N 437.908 5.463 0 40 IKAB CN(Cc1cc(=O)n2c3c(sc2n1)CCCC3)Cc1ccc(-c2ccc(Cl)cc2)o1 9595263 DATLGXZREYEJHQ-UHFFFAOYSA-N 439.968 5.180 0 40 IKAB C[C@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)N1CCCC1 9642435 AHPYTYKUDFYGQV-AWEZNQCLSA-N 442.382 5.162 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 9729527 XVOVQZQJECZWSE-MSOLQXFVSA-N 444.560 5.045 0 40 IKAB C[C@@H](Sc1nc2cc(C(F)(F)F)ccc2n1C1CC1)C(=O)c1ccc2c(c1)CCC2 12364899 MJLPKRYQFWXKAO-CYBMUJFWSA-N 430.495 6.242 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Br)cc1 12628083 DUPXAFCMZDZFMF-UNOMPAQXSA-N 436.305 5.529 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)o2)cc1 12852470 NIZCQXARFAYHNI-UHFFFAOYSA-N 445.544 5.085 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1 13138565 GMALGJGMFKVTKF-HNNXBMFYSA-N 429.973 5.134 0 40 IKAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628268 FRIUIQHNKVZTGY-GOSISDBHSA-N 446.547 5.651 0 40 IKAB Cc1nnc2ccc(-c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)nn12 14055346 VSTCSGQNTQVFSP-UHFFFAOYSA-N 433.515 5.260 0 40 IKAB COc1ccc(/C=C(/CC(=O)NC2CCCCC2)c2nc3ccccc3s2)cc1OC 14168080 OTAIDAXUUNFREL-JXAWBTAJSA-N 436.577 5.693 0 40 IKAB COc1cc(C(=O)N(Cc2ccc(F)cc2)C2CC2)cc(OC)c1OCc1ccccc1 14181049 IZMRASWGKQQCFY-UHFFFAOYSA-N 435.495 5.227 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 14607262 VRFXGUPNMCVBFM-KBMIEXCESA-N 434.561 5.077 0 40 IKAB Cc1cc(C)c(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3)c2)c(Cl)c1 14669575 KMNCUNQYJDPGFX-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4)o3)n2)cc1 15991755 KFWOWBCGRUNUTE-UHFFFAOYSA-N 433.489 5.193 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 16194548 MLPZMAKJWJKBAG-DHZHZOJOSA-N 438.314 6.197 0 40 IKAB CCOc1cc(CNCCCNC)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16688570 NYWVYVQUNBWGSG-UHFFFAOYSA-N 431.791 5.324 0 40 IKAB COc1c(C(=O)Nc2cccc(Br)c2)cc2ccccc2c1Br 17099363 DBDYTAYYVYOCLE-UHFFFAOYSA-N 435.115 5.626 0 40 IKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1ccco1 17136000 NLXOJUOKPQBNNT-UHFFFAOYSA-N 437.996 6.473 0 40 IKAB CCN1CCc2c(sc(NC(=O)CCc3ccccc3)c2-c2nc3ccccc3s2)C1 17288771 GJPBDOBGVATDPW-UHFFFAOYSA-N 447.629 5.974 0 40 IKAB COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc1OC 19560485 UJSQOQDBCVAIQJ-NRFANRHFSA-N 438.499 5.184 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 19648621 XJPROJGMRFQTKB-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB CCN(C(=O)c1snnc1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711971 YZZVPLDRIFZOGL-LEWJYISDSA-N 443.519 5.174 0 40 IKAB FC(F)(F)c1cccc(-c2cn[nH]c2[C@H]2CCCN(Cc3cccc4c3OCO4)C2)c1 19789452 SOGXDEAEGUWLFJ-INIZCTEOSA-N 429.442 5.204 0 40 IKAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCCc3ccccc32)cc1 20458286 MIJKRTMJAIMZBR-UHFFFAOYSA-N 434.580 5.442 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20735761 MILHWOFIUWZHFP-MRXNPFEDSA-N 434.805 5.394 0 40 IKAB O=C(Nc1ccc2nc(SCC(=O)N3CCCc4ccccc43)sc2c1)c1ccco1 20894802 FJNIQWXSROJSDJ-UHFFFAOYSA-N 449.557 5.213 0 40 IKAB O=C(Nc1ccccc1-c1nc(COc2ccccc2)no1)c1ccc(Cl)cc1Cl 22458838 JMPHWKSEKABQCG-UHFFFAOYSA-N 440.286 5.875 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(Cl)c2)c2ccccc2)c1C 26770784 ILLISAUVLKWISO-XMMPIXPASA-N 447.003 7.472 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2cccs2)c1C 26770946 MFXFNXUNPANSSE-QFIPXVFZSA-N 436.577 7.019 0 40 IKAB CCOP(=O)(OCC)[C@@H](NC(=O)/C=C/c1ccccc1Cl)C(Cl)(Cl)Cl 26962913 PYBVVWZAECKYBM-ATWMFIQVSA-N 449.098 5.432 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)N2CCCCCC2)cc1 27662245 FSLHILYNSPIHRR-XMMPIXPASA-N 434.580 5.714 0 40 IKAB COc1ccccc1NC(=O)c1nc(SCc2ccccc2C)ncc1Br 28403834 KWJUFQZVFCIQDG-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB OC1=NC(=S)S/C1=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1 33547248 LOOXVEGUADEFGW-MHWRWJLKSA-N 442.363 5.631 0 40 IKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 35646325 LARXBVPZYSCFED-JAIQZWGSSA-N 443.355 6.953 0 40 IKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35646724 CFAGCRWORMONID-ZDLGFXPLSA-N 443.843 5.539 0 40 IKAB C[C@@H](OC(=O)c1ccccc1SC[C@@H]1CCCO1)c1nc2ccccc2n1C(F)F 39983227 QEJGMEQMOGEMML-CABCVRRESA-N 432.492 5.621 0 40 IKAB Cc1ccccc1OCCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 59109427 UUVNHIFAUPDOSZ-UHFFFAOYSA-N 440.259 5.926 0 40 IKAB Cc1ccc(-c2n[nH]c(SC(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1 59382464 GBLWKIYOPFWOQV-UHFFFAOYSA-N 433.580 6.864 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1)[C@H]1CCCC[C@H]1C(=O)O 59478022 FLZPSLFMJYBBHL-DLBZAZTESA-N 444.553 5.557 0 40 IKAB C[C@H](Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 59489612 DVNWOCBSPHFQLQ-LBPRGKRZSA-N 440.575 5.124 0 40 IKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1cccc(C(F)(F)F)c1 72328538 WRLAORPKHSUZDW-UHFFFAOYSA-N 435.877 6.001 0 40 IKAB Cc1ccc(C2(CNc3cc([C@H](C)Cn4nc(C)c(C)c4C)nc(C)n3)CCOCC2)cc1 72373180 XZOYWASVIBSXBO-LJQANCHMSA-N 447.627 5.179 0 40 IKAB COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(OC)cc4)CC(O)=C32)cc1 100429364 YQRBNQVNMVZFGP-WINIVTDRSA-N 426.516 6.333 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O 100521137 MNDJWAKEJGFTBX-ZLSIYFNSSA-N 427.931 5.891 0 40 IKAB O=C1/C(=C\Nc2ccc(Cl)cn2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 102328748 MUBPNFCJWUSRMO-PDGQHHTCSA-N 443.812 5.394 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 102681266 SMNNPRYAEDCRGM-VTERFDHCSA-N 447.531 5.964 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OCC)cc1 102969892 CNYUPWKSMXDAJH-MHZLTWQESA-N 446.591 7.068 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 107030975 AWRZOHDUVCGWCY-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCOC(=O)c1cc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)ccc1Cl 219471621 GQFHQLLVXHNMCZ-UHFFFAOYSA-N 436.895 5.049 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1cc(Cl)ccc1OCc1ccccc1 219761929 UGNWAGFDFKDMJA-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223184339 PCBDYXSYBZEQCV-HXUWFJFHSA-N 443.031 5.730 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223316992 ZLLCZOSOOPJXSX-NRFANRHFSA-N 447.044 5.544 0 40 IKAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O 223647270 WTFJPDQSTCTQSO-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(C(C)(C)C)cc1 224521955 NHBLZIORZBHDQE-UHFFFAOYSA-N 439.502 6.492 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 224576134 DURUBFTXRVWTKH-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225057827 DDODKLHBAHGSCS-SANMLTNESA-N 434.624 5.411 0 40 IKAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 225586059 TWDPCPOJYTWONE-NRFANRHFSA-N 430.951 5.110 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 225603094 WGMARQMKDFRDSE-AUSIDOKSSA-N 445.003 5.221 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225720588 NGSNYAZQFCIPFA-XMMPIXPASA-N 440.653 5.177 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225743742 XGHMIPVDBRWQHS-VGOFRKELSA-N 449.422 5.566 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)c1 225854875 OJDBNOUPVXAADF-UHFFFAOYSA-N 440.962 6.899 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Br)c1 226340985 WGDNQBKCQKZDNU-VMPITWQZSA-N 430.125 5.911 0 40 IKAB NC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226342349 JJQPFNMIUWGLPL-UHFFFAOYSA-N 437.548 5.406 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(F)cc3)o2)ccn1 257201553 AICHONQPJKBFRH-OAQYLSRUSA-N 448.523 5.209 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@@H]3[C@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]3[C@@]2(C)CC1 257348352 DUXQZAKZLLLKRV-VKOUYNRGSA-N 440.712 8.475 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]2c2cc(OC)cc(OC)c2)cc1 261506928 CMZCMAJEZRWTMR-DHIUTWEWSA-N 441.321 5.741 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1c(Cl)cccc1Cl 408577676 UFWOWTSWPZRJDX-UHFFFAOYSA-N 438.420 6.379 0 40 IKAB CN1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 408578527 YKPJECHHCJOGNC-UHFFFAOYSA-N 429.800 5.149 0 40 IKAB CCc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)O)o1 408632292 PSQQIFXHPGBSHW-YVLHZVERSA-N 434.876 5.221 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Oc2ccccc2)cc1 408675417 IKOFRWAMCVXJGA-UHFFFAOYSA-N 446.506 6.528 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccccc1 408697452 JKERHGPETCEFFE-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)nn2-c2ccc(C)cc2)cc1 408726100 RZNXNCPMXMFJFV-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 409012366 JMIUGLSINRGKMH-BXUJETTOSA-N 446.366 5.863 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccc(F)cc1 409117098 KQIMJHIPFULOMZ-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3Cl)c3ccccc23)C1=O 409125367 FCEITYAXJTZBGB-STZFKDTASA-N 440.952 5.820 0 40 IKAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 585151853 ZEFRAUCICZSUOS-UHFFFAOYSA-N 439.562 5.093 0 40 IKAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(-c3ccc(F)nc3)ccc21 643570754 KEAUJGJYPFJWLY-UHFFFAOYSA-N 425.592 6.053 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1 664173 TVILAMUEIGBADW-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 865642 UGXGJUPKAZSTFM-HUUCEWRRSA-N 426.870 5.259 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cc(C)ccc2C)c1C 868920 ZYGFSPKQWVLGQM-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC 877670 NWLYTWAQVQDUBY-UHFFFAOYSA-N 428.989 5.474 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ncc(C)s3)c2c1 917189 ALHOJYRVGQLQDT-UHFFFAOYSA-N 436.562 5.191 0 40 IKAB aggregator Cc1ccc(-c2cnc3ccccc3n2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1443150 UILHFKOBERFHRR-UHFFFAOYSA-N 444.343 5.713 0 40 IKAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S[C@@H]2CCc3ccccc32)cc1 1574218 VSWMTYZQVXLDKY-OAQYLSRUSA-N 438.574 5.285 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)C[C@H]1C 1833133 HDQZETFNIWCCJR-NFQMXDRXSA-N 440.587 6.517 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3CC)c2c1 2074254 VAOPOBHLZQFBKX-UHFFFAOYSA-N 443.572 5.989 0 40 IKAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@H]3CC[C@]12C 2087637 LCHQKKCWNVVBHJ-CEGFDSHFSA-N 441.656 5.552 0 40 IKAB biogenic O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc(Cl)cc1 2284597 AXQAJGSSPNMXII-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCC3 2287657 DVHKIFNSOWCHNK-UHFFFAOYSA-N 442.606 5.070 0 40 IKAB CCn1c(NC(=O)c2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2327804 YDLCICKJHHONOS-UHFFFAOYSA-N 437.326 6.248 0 40 IKAB O=c1[nH]c(CSc2ncc(C(F)(F)F)cc2Cl)nc2sc3c(c12)CCCC3 3303612 LCOOKZMNCLRUGF-UHFFFAOYSA-N 431.892 5.223 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(Oc2ccccc2)c1 3376512 ZDFVKEIIQNSQDF-UHFFFAOYSA-N 448.573 5.673 0 40 IKAB CC(=O)Nc1ccc(SCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)cc1 3447386 IIEUCZJKDRHNFN-UHFFFAOYSA-N 425.579 5.192 0 40 IKAB Cc1ccccc1Cc1nnc2sc([C@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 8398764 VHOXSCNXIVNOHB-QGZVFWFLSA-N 428.536 6.043 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8590511 CZLGWMFZPALFAO-UHFFFAOYSA-N 429.932 6.660 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(NC2CCCCC2)s1 8709005 HGIZDRIWPBALGP-CYBMUJFWSA-N 447.655 5.204 0 40 IKAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@H]1c1ccc2c3c(cccc13)CC2 8834507 KIYVMONVXGAYJG-NRFANRHFSA-N 449.519 5.394 0 40 IKAB Clc1ccc(-c2nc3ncccc3n2OCc2ccc(Br)cc2)c(Cl)c1 8873736 YSOVTMQFUATQCF-UHFFFAOYSA-N 449.135 5.796 0 40 IKAB CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 8934189 LUJLJNXUWBUNPH-JOCHJYFZSA-N 448.498 5.296 0 40 IKAB CCC1=NN(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2ccccc2)c2ccccc21 9075694 HVDFMBHWKIHHMG-RUZDIDTESA-N 426.545 5.587 0 40 IKAB Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3cccc(F)c3)c1C2 9116431 UZQGHHXSJHQQAH-UHFFFAOYSA-N 445.519 5.467 0 40 IKAB C[C@@H](NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 9142363 SPJPATSWIPRPQF-PYMPDBRZSA-N 448.632 5.475 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)n1 9349311 QPKWMDRTTWVNFN-JOCHJYFZSA-N 445.592 5.389 0 40 IKAB Cc1nc2cc(NC(=O)c3ccccc3SCC(=O)NCC3CCCCC3)ccc2o1 9387311 HESMPLHHJVQNCM-UHFFFAOYSA-N 437.565 5.177 0 40 IKAB CCc1ccc2c(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc(=O)oc2c1 9508390 OGANMNABYQSRSH-UHFFFAOYSA-N 430.432 5.299 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OC[C@@H]2CCCO2)cc1 9593118 WUHQCHHDFDTNSW-IBGZPJMESA-N 430.529 5.773 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)sc(C)c1C 9597894 DZPDWCNZLWOEFH-UHFFFAOYSA-N 439.320 5.756 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@H](c2ccccc2)c2cccs2)n1 9640373 MFDIWERLWPLVNU-HSZRJFAPSA-N 431.586 5.511 0 40 IKAB Cc1nc(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)c2c(C)c(C)sc2n1 9791905 DDXXVXVAMHHQTF-QGZVFWFLSA-N 429.611 5.189 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3C)[C@@H]2c2ccccc2OC)cc1 9865028 GYQFSFXRYWUVOL-NVQXNPDNSA-N 444.531 5.135 0 40 IKAB COc1ccc(CNc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 12419647 PBYUIPOJJGLVJA-UHFFFAOYSA-N 440.546 5.165 0 40 IKAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)ccc3Cl)n2)C1 12759718 LUMXAYMTTDXQBD-NSHDSACASA-N 428.783 5.043 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 13095427 NSSZKNQUTQYAJE-UHFFFAOYSA-N 438.531 5.274 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(C(F)(F)F)C[C@@]1(O)c1ccc(Cl)cc1 13590739 UMQHLMRDNWRFRP-JOCHJYFZSA-N 444.840 5.617 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711571 HRYAPGULXUORLM-NRFANRHFSA-N 440.590 5.021 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 13764383 LSVVQGOVNUXOAF-GGPAXRDESA-N 426.604 7.258 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 14155253 MCSCJYCRFCUWEA-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Cc1cc(OCC(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)c(C(C)C)cc1Cl 16262191 DEGWXJMFVRSMDN-JOCHJYFZSA-N 446.378 5.443 0 40 IKAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)cc1 16846487 ZONCOMRADTUQGX-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB O=C(c1ccccc1)c1c(C[C@H](O)c2cccnc2)n(C(=O)c2ccccc2)c2ccccc12 17219071 BMAMBNTZRPGRTE-SANMLTNESA-N 446.506 5.232 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)Cc3c(C)nc4ccccn34)c2)c1 19691968 KXLQWCUHWYPMAS-RUZDIDTESA-N 438.575 5.152 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20105755 FCBKPNMUPQZVNO-SQHAQQRYSA-N 442.584 5.268 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20450751 AXVZDBMRVPHVTP-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(CN2CCCc3ccccc32)cc1 20489581 CVYPBQOENDLYTH-UHFFFAOYSA-N 439.559 5.128 0 40 IKAB O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccc(-c2ccccc2)cc1 21367034 UNGIYXSGWUDKQE-UHFFFAOYSA-N 443.528 5.218 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccc(Br)cc4)o3)no2)cc1 25054428 PYEPAIUEAGZHDO-UHFFFAOYSA-N 449.717 5.495 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)c(C)c2cc1Cl 27991524 HCYHDSCFQFGOPO-LJQANCHMSA-N 431.001 6.112 0 40 IKAB Cc1sc(NC(=O)c2sc3nc(C4CC4)nc(C)c3c2C)nc1-c1ccc(F)cc1 29648070 FFWFAEUETMMQMU-UHFFFAOYSA-N 438.553 6.009 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32071999 XSRUKBQQYMFTGN-QGZVFWFLSA-N 445.306 5.345 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(Cl)cc4)cc3)n2)cc1 32578632 GXDHDFQKCHTTKJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl 33326050 JPVJYRKSKMIJME-GOSISDBHSA-N 427.957 5.341 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33780359 WGCUWDGUQQFXKQ-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 34879934 NVPQSVDHEMHIMR-GOSISDBHSA-N 449.407 5.541 0 40 IKAB CN(Cc1ccsc1)C(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 39981875 GASXFCALJQVEEF-HXUWFJFHSA-N 447.387 5.055 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2ccc(Br)cc2)cc1 40485886 MMEVZIKZPKLYLR-NRFANRHFSA-N 435.321 5.205 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 44848586 AHHFTYXRQZFTCN-INZJWMLVSA-N 433.979 6.793 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 58160424 WJJMKBPCVDAWRD-SANMLTNESA-N 441.575 5.334 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCC1 72215479 VCRCWYOYGIYDQB-JOCHJYFZSA-N 435.568 5.743 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)c2ccccc2C(F)(F)F)nc1-c1ccccc1 95348658 YVOOYIFIBIBBKL-UHFFFAOYSA-N 428.439 5.482 0 40 IKAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(C(C)(C)C)cc1 95482194 IVMHYVITWZCJAD-UHFFFAOYSA-N 428.330 5.069 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(Cl)cc3)c2c1 101148057 IWMCRNGUZIYAIB-UHFFFAOYSA-N 438.936 5.863 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2)c1 218976265 CJGIRWQBUIHZTN-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1Cl 224148254 HLNHXRFIXPVHAI-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224616031 KGVXJJYNSQKVFY-QFIPXVFZSA-N 445.603 6.341 0 40 IKAB Cc1cc(NC(=S)NCCSCc2cccc(Cl)c2)ccc1Br 225299230 HUSGDRKKCSIXQA-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1 225411017 CJSWNRXCSKKOIV-JJWXFRNXSA-N 446.616 5.700 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225615329 UYFPFOCGIVIFNY-PGRDOPGGSA-N 447.044 5.295 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCC(C)C 225684610 FVSOTMFSSTWYQA-UHFFFAOYSA-N 429.944 5.612 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225726328 GOKAFHFYFZRIFS-VGSWGCGISA-N 449.422 5.648 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1Cl 225810877 HJQIQEYLAAZGNO-UHFFFAOYSA-N 434.964 5.454 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F 225955366 WWMSHMIVVHPYGB-UHFFFAOYSA-N 425.878 6.597 0 40 IKAB COc1cc(C)c(CN2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C 257308634 TXMBLKCBOOZFJM-XMMPIXPASA-N 443.591 5.161 0 40 IKAB Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 408680831 HASBOQXCKHNJEZ-QHCPKHFHSA-N 447.383 6.398 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 408694301 IPNQDHZJLYTWKK-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408697855 LXJJTHGOWUOQKJ-UHFFFAOYSA-N 445.256 5.772 0 40 IKAB CCOc1ccccc1/C=C1\N=C(c2sc3c(Cl)c(OC)ccc3c2Cl)OC1=O 408969809 VAIVSBOISPWEPR-RAXLEYEMSA-N 448.327 5.960 0 40 IKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(Cl)ccc1Cl 409024864 IJMSZWYXMKXZTN-UHFFFAOYSA-N 436.404 6.262 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409071030 MZEUXLCEPAISGF-CXUHLZMHSA-N 426.296 5.768 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1 409100424 VWKIPRQBTFTBEP-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409100837 WVYXBEIQEKPXGY-SITPEIFSSA-N 447.512 5.017 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1-c1ccccc1 409195384 PFYCTRXRAKZPMC-FLWNBWAVSA-N 446.575 6.829 0 40 IKAB CCCc1nc(CCc2cc(Cl)cc(Cl)c2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265062 FCLSIJMWBWGXRR-UHFFFAOYSA-N 448.777 7.145 0 40 IKAB CCC(CC)NC(=O)c1ccc2c(c1)CN(CC(C)C)CCCCCCCN2C(C)=O 643575002 ALTCWNYRHLCSFD-UHFFFAOYSA-N 429.649 5.380 0 40 IKAB O=C(O)c1ccc2c(c1)CN(C1CCCC1)CCCCCCCN2C(=O)c1ccncc1 2037949627 HHHDDMSOBZSMBI-UHFFFAOYSA-N 435.568 5.135 0 40 IKAB O=C(OCCF)N1CCC([C@@H]2CCCCN2Cc2ccc(F)cc2C(F)(F)F)CC1 2056226604 WACACKIPMCDNSI-IBGZPJMESA-N 434.449 5.017 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)sc2c1CCCC2 995973 OKORFSXBXYGCRQ-UHFFFAOYSA-N 446.528 5.782 0 40 IKAB COC(=O)c1ccccc1-c1ccc(/C=C2\SC(=S)N(c3cccc(C)c3)C2=O)o1 1150424 NFYQDMZGQIWPSI-MOSHPQCFSA-N 435.526 5.447 0 40 IKAB Cc1ccc(SCC(=O)c2ccc(Cc3ncc(C(F)(F)F)cc3Cl)s2)cc1 1386084 HMROTAXNTQNBJR-UHFFFAOYSA-N 441.927 6.690 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)Oc2cc(C)ccc2C(C)C)cc1 1703582 YSGCFJDJSHZJQK-UHFFFAOYSA-N 432.586 5.540 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc2c1C 2093616 VNXNSRWALLQOBQ-MRXNPFEDSA-N 431.532 5.535 0 40 IKAB biogenic Cc1cccc(-n2c(SCc3cccc(Br)c3)nc3ccccc3c2=O)c1 2343933 NALSSKZGZYIBLU-UHFFFAOYSA-N 437.362 5.749 0 40 IKAB Cc1ccccc1-n1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)CCC3 2365026 VQVFXCPZPKWOTE-UHFFFAOYSA-N 444.585 5.184 0 40 IKAB CCOc1ccccc1[C@@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 2443916 GAPYMQQAQIIGEK-VWLOTQADSA-N 441.556 5.713 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(I)cc1 3095289 CWTJOJIOOQDFEP-UHFFFAOYSA-N 435.305 5.356 0 40 IKAB C[C@H](NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 3230311 BUTBLDYLADGGTI-KRWDZBQOSA-N 439.964 5.667 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3c(C)c(C)cc(C)c3C)c3ccccc32)cc1 4555231 CXMOGRDKDBHHAC-MUUNZHRXSA-N 427.544 5.236 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc3c(c2)c2ccccc2n3C)cc1 8432207 CHALOZHLJVOAIS-MHZLTWQESA-N 433.511 6.111 0 40 IKAB CCOc1ccc2nc(NC(=O)CCC(=O)OCC[C@H](C)CCC=C(C)C)sc2c1 8781089 TUHHOBXJBIUBFT-QGZVFWFLSA-N 432.586 5.730 0 40 IKAB CCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 8789731 MJLBZDDHZPUNCU-HSBSSIIGSA-N 434.580 5.210 0 40 IKAB biogenic COc1cccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)c1 8897278 SOAZIBVOIDXELN-UHFFFAOYSA-N 438.553 5.844 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(OC)c4)cc3n2)cc1 8920697 MPHRAQCEROSAFF-UHFFFAOYSA-N 434.927 5.677 0 40 IKAB CCCCN(C)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9191646 QQDFAQKOOBZANY-UHFFFAOYSA-N 444.670 6.172 0 40 IKAB O=C1C[C@@H](c2ccccc2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 9245034 WLDODJHAVDKUNG-FQEVSTJZSA-N 443.510 5.743 0 40 IKAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292784 IVLNMHNMAUUHHO-GMAHTHKFSA-N 438.358 6.888 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 9296349 IROYTOZVYMZYEB-RQZCQDPDSA-N 430.718 6.719 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)cc1C 9391619 PQSIJHRMFPLYKU-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB CC(C)c1nc2sc3c(=O)n(CCc4ccccc4)cnc3c2c2c1COC(C)(C)C2 9422515 BSIKEHSOPNTEIE-UHFFFAOYSA-N 433.577 5.224 0 40 IKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1cn(-c2ccccc2)nc1-c1cccnc1 9884355 HDEKXNHSMGUCBC-UHFFFAOYSA-N 438.487 5.228 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2)cc1 9959218 YSSCCYHBQKBFKN-UHFFFAOYSA-N 444.487 5.410 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)cc1C 10253644 RNKVJDOSQVTCET-UHFFFAOYSA-N 441.922 6.622 0 40 IKAB COc1ccc2nc(-c3cccc(NC(=O)CC(c4ccccc4)c4ccccc4)c3)cn2n1 11693400 HJYCYXFQEYTSIV-UHFFFAOYSA-N 448.526 5.566 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1 12485115 UTQWHMHLSVYHSQ-UHFFFAOYSA-N 438.358 6.606 0 40 IKAB Fc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@@H]3c3cccs3)c2=S)cc1 12544043 LNQKHAHSGDBGIM-LJQANCHMSA-N 437.569 5.460 0 40 IKAB Cc1ccc(SCc2cc(O)nc(SCC(=O)n3c(C)c(C)c4ccccc43)n2)cc1 12587591 ZGTRLEAMOWVGOX-UHFFFAOYSA-N 449.601 5.787 0 40 IKAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 12599385 JYKFBMVOAOFWHI-HRAATJIYSA-N 438.572 5.557 0 40 IKAB Cc1ccc(SCC(=O)OCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c(C)c1 12687007 OSPDVYBPVGXLDU-UHFFFAOYSA-N 436.558 5.104 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1C 12789611 HNBJIGXGNYAZRN-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 13163925 HZMKDPZQOBVFMG-SANMLTNESA-N 442.588 5.137 0 40 IKAB COc1cc(Cl)cc(Cl)c1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13512848 NMMVKCAXDYRXFC-XXBNENTESA-N 425.315 6.244 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1cccc(F)c1 13561439 ZTMDSXWCSBPYIE-QFIPXVFZSA-N 440.515 5.473 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)CSc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 14164576 MVUMEYKBJONMOL-UHFFFAOYSA-N 444.906 5.131 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 14272162 MHELBWBTBLNWFV-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3F)[C@H]2c2cccs2)cc1 15005136 VNCQDFQTGCTRIF-JTSKRJEESA-N 426.488 5.458 0 40 IKAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H]([C@H](C)CC)C(=O)N12)C(=O)Nc1ccccc1C 15783618 HTFJGDBBWXQQCN-NQERJWCQSA-N 448.592 5.150 0 40 IKAB COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1F 16195886 MVXXMWUDBZLEPC-UHFFFAOYSA-N 438.930 5.880 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 21580639 USHMYUNKFMGYPY-DTQAZKPQSA-N 435.483 6.150 0 40 IKAB CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(F)cc1 22076341 IMBFCICHAFKZIW-UHFFFAOYSA-N 434.305 5.449 0 40 IKAB COc1ccc(-c2nc(CSc3nnc4sc5ccccc5n34)cs2)cc1OC 23638316 LBKWZQNVDAPCFU-UHFFFAOYSA-N 440.575 5.377 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1cccc(C(=O)NC2CC2)c1 25324176 IHNZXTQZQGIQFU-UHFFFAOYSA-N 429.545 5.210 0 40 IKAB CC(=O)Nc1ccc(NCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1 27526517 WSRQOEQBTRXPOH-UHFFFAOYSA-N 433.943 5.363 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C)c(C)c3)sc2c1 32118821 HGZZNSLKUYLXMO-UHFFFAOYSA-N 427.595 5.148 0 40 IKAB O=C(OCc1cc(F)cc2c1OCOC2)c1nc(Cl)c(Cl)c(Cl)c1Cl 32384830 MKOVGTYHEVTKRP-UHFFFAOYSA-N 427.042 5.058 0 40 IKAB Fc1ccccc1-c1ccc(SCc2nc(-c3cccc(Br)c3)no2)nn1 33262534 ZNKVFZPPAITNIR-UHFFFAOYSA-N 443.301 5.388 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 33633408 AAVSCPJMSHJZBC-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@@H](C)CC)cc1Br 34965517 WCVYFIAPBHWVAB-ZDUSSCGKSA-N 435.387 5.488 0 40 IKAB COc1ccc(-c2csc(-c3cc(NC(=O)CC4CCCCC4)n(C)n3)n2)cc1OC 35683179 HGAASCBQFVAGKG-UHFFFAOYSA-N 440.569 5.137 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cc(C)cc(C)c3)CC2=O)cc1 40255652 OOIQUEBGGTUJPT-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1nc2nc(N3CCC(C)CC3)nc(O)c2c(=S)n1-c1cc(Cl)cc(Cl)c1 40386886 BVZPXTTYMLHYQT-UHFFFAOYSA-N 436.368 5.102 0 40 IKAB C[C@@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3c2C1 54290453 MCVCOILFWLIGNN-CQSZACIVSA-N 447.435 5.445 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c(OC)c1 57312876 BUWQCIZGZNOVML-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 57774798 MUQTZNFKVHLTEF-GCJKJVERSA-N 448.438 6.037 0 40 IKAB Cc1nc(COc2ccc(/C=C/C(=O)N(Cc3ccccc3)CC(F)F)cc2)cs1 72303526 DZBVSATZPUMOOD-FMIVXFBMSA-N 428.504 5.338 0 40 IKAB CN(Cc1nc(-c2cccnc2)no1)c1nc(C2CC2)nc2scc(-c3ccccc3)c12 79017541 KRWOMRNFEBYTLK-UHFFFAOYSA-N 440.532 5.317 0 40 IKAB C[C@@H](c1nnc(SCCSc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 95469635 NZVMJIXHLKSFIV-AWEZNQCLSA-N 437.009 5.567 0 40 IKAB c1ccc(CC23N=NC(Cc4ccccc4)([C@@H]4c5ccccc5[C@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 101043407 IQRJNKFXXMODER-JZBRLZLPSA-N 438.574 7.191 0 40 IKAB Clc1cccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)c1 104339802 KONUGBRQPMPVJV-UHFFFAOYSA-N 445.005 8.507 0 40 IKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl 215245717 LBVROCXSSWKYJB-VIZOYTHASA-N 426.694 5.478 0 40 IKAB O=C(O)CCc1ccc2c(c1)CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 217775994 MCEGNEPMGGGJSW-UHFFFAOYSA-N 427.500 5.406 0 40 IKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)c(C)c1 222722927 UJRDQFRWEDHTCT-LJQANCHMSA-N 442.353 5.566 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 222952892 WEKRESODHUVXGL-IBGZPJMESA-N 426.409 5.817 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223028089 VHERHBNMXZKMTE-PMACEKPBSA-N 448.375 5.267 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 223055690 URMJIPJBKHHYKH-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CSc1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 223077293 MNICSFMFIXSCGF-UHFFFAOYSA-N 436.964 5.907 0 40 IKAB CCc1ccc(OCC(=O)N[C@H](CC)c2ccc3c(c2)CCCC3)c(Br)c1 223081922 IDHRLDHQEVWIHX-OAQYLSRUSA-N 430.386 5.537 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223343291 FAUHMELQYKGMKN-JOCHJYFZSA-N 429.004 5.303 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccc(C)c(C)c1 224623060 QFYWOVICDSDTIO-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1C 224631964 PFZCLHWEHFCFNA-DQEYMECFSA-N 440.572 5.698 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225723213 SVGGSXVGFJCQSV-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1COC2(CCN(Cc3ccccc3OC3CCCC3)CC2)C1 257204830 AWLRSOHRRLMRTN-RUZDIDTESA-N 448.607 5.185 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)C(C)(C)c3ccccc3F)C2)n1 257338381 YXCKWKWBRJWBJI-QGZVFWFLSA-N 436.506 5.101 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@@]12C 257349521 ORGPIPGUNTVRMI-SRFOZDDCSA-N 430.629 6.086 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)c1 408695898 UTKFQSAOLDBAIP-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)cc1C 408697776 JIBKHJNFTJRANY-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(Cl)c2C)cc1 408699314 WDQLMUSXHHDVCB-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(C)c2)cc1 408699688 YNVYORHWSKREIF-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1nc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)O)n[nH]1 409196373 ZTKXZYROGDPFOV-IUXPMGMMSA-N 436.320 5.217 0 40 IKAB COc1ccccc1C(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)cc1 409205356 PXDDBUBRCSVFSM-BKUYFWCQSA-N 447.874 5.221 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)c1 409380928 JZKBLLDISYXDER-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc(C(F)(F)F)c4)sc3n2)c1 661284 DCPYREBBOXWJAJ-UHFFFAOYSA-N 443.450 5.825 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 868897 QLTPPHINSIGHMZ-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(C)cc3)cc2c1 883210 GPAGNXCYFFWNMR-UHFFFAOYSA-N 447.560 5.227 0 40 IKAB O=C(O)[C@H](Cc1ccccc1)Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 1306096 BBAVKGJFFHPYOL-FQEVSTJZSA-N 443.572 5.269 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)O[C@H](C)C4)ncnc32)cc1Cl 1447687 NHWRQMWDRHZODD-QZTJIDSGSA-N 432.955 5.663 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)n1c(SCc2ccc(F)cc2)nc2ccccc21 1821264 HBWKGXZPMGOLME-KXBFYZLASA-N 449.378 6.699 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1OC 1918463 LLGIGECQCPPVOQ-XBXARRHUSA-N 435.332 5.786 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 2031536 MMJHVWVYRRPQHW-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB COc1ccccc1-c1c(NC(=O)c2ccc(Cl)cc2)n(-c2ccccc2)nc(C)c1=O 2231520 FBDWKLLYKKHVIU-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 2268145 USPPXVKRCVRMPM-KKSFZXQISA-N 441.358 6.351 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccc(Cl)cc4)ncnc32)cc1 2714761 VNGFPFAMOUANRR-UHFFFAOYSA-N 442.925 6.535 0 40 IKAB Cc1nnc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)s1 2757271 MPZQHJJQSNITTB-UHFFFAOYSA-N 425.311 5.077 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)c1C 3008314 JSYXXMLIYYVFNP-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 3284029 PWBPIKLTUQMVHG-UHFFFAOYSA-N 446.576 5.116 0 40 IKAB Brc1cc2c(cc1Nc1ncnc3sc(-c4ccccc4)cc13)OCCO2 3399078 JJOMKOVBDMGPRC-UHFFFAOYSA-N 440.322 5.636 0 40 IKAB CCCCCC[C@H](CCCCCCCCCCC(=O)OCC(CC)CC)OC(=O)CC 5742977 UMZQPDJSTHEQNY-RUZDIDTESA-N 440.709 8.159 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 5944738 SUCROPXIDNBOMJ-UHFFFAOYSA-N 447.585 5.877 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 6300290 TYWNYGLLXSWWCE-LJQANCHMSA-N 433.621 5.525 0 40 IKAB COc1ccc(NC(=O)N[C@@H]2C=C[C@@H](c3c(C)nn(-c4ccc(C(C)C)cc4)c3C)C2)cc1 8636076 UOTRIQMZDFBBAO-FYYLOGMGSA-N 444.579 5.855 0 40 IKAB biogenic,in-vitro CCN(C(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc12 8728182 XWDQKVMAIKNION-UHFFFAOYSA-N 446.551 5.718 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1C 8754689 JRIBZXXQPHOPKZ-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccc2c(Cl)cccc12 8832121 JWLWUQYRCDEMQX-UHFFFAOYSA-N 448.909 7.707 0 40 IKAB COc1ccc(OC)c(NC(=O)c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)c1 8848647 IGABRQKTPSFGTE-UHFFFAOYSA-N 432.907 6.133 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 8871450 BFUQRXUTTPLAQA-KRWDZBQOSA-N 433.914 5.706 0 40 IKAB Cc1cc(C)cc(SCc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)c1 8888021 JWDJWXAQFVYMFI-UHFFFAOYSA-N 440.490 6.314 0 40 IKAB Cc1cc(C)c2nc(Nc3nc(CSc4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 9013776 TZQRBYVTCAZACY-UHFFFAOYSA-N 437.956 5.328 0 40 IKAB Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 9064740 MKMFRVSPDUMTIY-WEVVVXLNSA-N 447.343 5.794 0 40 IKAB CNc1nc(OC(C(F)(F)F)C(F)(F)F)nc(N(c2ccccc2)c2ccccc2)n1 9113763 HZANRXJAOYDNBC-UHFFFAOYSA-N 443.351 5.255 0 40 IKAB COc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)cc1OC 9243717 JBCUWDNNRZJBTC-VWLOTQADSA-N 443.478 5.291 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2cccs2)ccc1OCc1c(C)noc1C 9245511 GMRNXLHOWFCBKW-WAEYIKQSSA-N 438.549 5.317 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 9404367 VJHLFWOTGNAVHC-KRWDZBQOSA-N 449.985 5.385 0 40 IKAB Cc1ccc([C@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@H](C(C)C)C2)cc1 9450795 HWGMGUWZMIRCFG-SIKLNZKXSA-N 434.374 5.243 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1-c1ccco1 9477704 APKFGSFARLRRHC-NRFANRHFSA-N 446.532 5.233 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1Cl 9478548 LYTLDHGBMKZZAU-LLVKDONJSA-N 436.965 5.177 0 40 IKAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 9496388 ASSDUXVQXPCGBO-CQSZACIVSA-N 445.548 5.083 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)cc1 9510616 IZSHUUOUYWHVSI-UHFFFAOYSA-N 449.576 5.124 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 9597177 RUONFKGCORTOFC-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB CC(C)n1ncc2c(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc(C3CC3)nc21 9670225 XGHSXUHHGBWSHS-HXUWFJFHSA-N 431.565 5.477 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 9714154 LDCQYQXDYJTRGV-QHCPKHFHSA-N 448.519 5.009 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@@H]1CCCc2ccccc21 9730075 OHGBRUDWCXSABY-HXUWFJFHSA-N 436.581 5.329 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2cccc(Br)c2)o1 9798643 VXSIDTYVMQCBND-GFCCVEGCSA-N 442.338 5.652 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Br)c4)c3n2)cc1 9907395 HSVLFGMKUUEMTE-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1Cl 10119236 SGPGBMLTGPTWKV-UHFFFAOYSA-N 446.890 5.292 0 40 IKAB O=C(CCCSc1ccccc1)N(Cc1ccncc1)c1nc2c(F)cccc2s1 10254368 AYJRCOMMSRZVMS-UHFFFAOYSA-N 437.565 5.936 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 12602237 NZXJIWTZDJHOMA-UHFFFAOYSA-N 429.225 5.886 0 40 IKAB COc1cccc(-n2ccnc2SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c1 12603034 HTDLNUZGSCTGJL-UHFFFAOYSA-N 441.862 5.284 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CN[C@H](c2ccccc2)c2cc3ccccc3o2)cc1 12787773 NATFDPBBSVPDLV-MUUNZHRXSA-N 432.523 6.564 0 40 IKAB CC(=O)Nc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 12804053 FITPDAYDWGEVGK-JOCHJYFZSA-N 436.895 5.144 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 13120182 AMGWTGUUDMBQGI-UHFFFAOYSA-N 437.421 6.307 0 40 IKAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2Cl)CC1 13133792 DLFZKKCNOPBWDH-LJQANCHMSA-N 435.955 5.282 0 40 IKAB Cn1/c(=N/C(=O)c2oc3ccccc3c2CSCc2ccccc2)sc2ccccc21 13525398 BIZHCUPRRQNLQM-QPLCGJKRSA-N 444.581 6.161 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)Oc1ccc(-c3nnco3)cc1)oc1ccccc12 14354364 QHSOGLYEOGTXNE-AWEZNQCLSA-N 429.432 5.051 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c1C 14361176 WHOMQPSLAPLGKT-UHFFFAOYSA-N 433.533 5.122 0 40 IKAB Cc1ccc(C)c(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 14397139 IWMKISBVHBQPOH-UHFFFAOYSA-N 436.577 5.155 0 40 IKAB C[C@@H]1CC(C)(C)N2C(=O)[C@@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 14671877 KZMXARTWDDEFJL-DMZKTXOQSA-N 446.494 5.271 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)c1 15304086 PMRKXCXUNXRYBD-UHFFFAOYSA-N 433.983 6.803 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(O)c(OC)c2)N3)C1 15946211 CNQLMTYELNUCMS-XCLFUZPHSA-N 430.570 5.441 0 40 IKAB Cc1c(C(=O)NCCCN2CCCC[C@H]2C)cc(-c2ccccc2)n1-c1ccc(F)cc1 16531727 PIBOZLGJUGNEIC-HXUWFJFHSA-N 433.571 5.586 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 17101079 OLZGINLWCPHNDX-PKNBQFBNSA-N 437.282 5.446 0 40 IKAB CC(C)c1ccccc1-n1c(SCc2cc(-c3ccco3)on2)nnc1-c1cccnc1 18282876 HJKSXCCTCANYSB-UHFFFAOYSA-N 443.532 5.993 0 40 IKAB CN(C)c1nc2ccccc2cc1CN(Cc1ccccn1)C1CC(C)(C)NC(C)(C)C1 19461029 WWYLIVLOKNDXJJ-UHFFFAOYSA-N 431.628 5.007 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(OC)cc2)Nc2ccccc2S3)cc1 19636385 AOJQUHMGWASZER-QHCPKHFHSA-N 442.540 5.344 0 40 IKAB CCN(C(=O)c1ccn(CC)n1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19711625 LWARRMPDWJVUAP-LADGPHEKSA-N 439.506 5.231 0 40 IKAB Cc1cc(NC(=O)c2cccc3c(Br)cccc23)ccc1-c1ccc(CO)o1 20139092 HPAZQXDSSQRZBH-UHFFFAOYSA-N 436.305 5.915 0 40 IKAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448464 YZZVRMOYTGETHA-INIZCTEOSA-N 440.952 5.041 0 40 IKAB CC[C@H](C)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cn(CC)nc2C)cc1 20614304 FYWVRDKPQDSDDX-SFHVURJKSA-N 443.588 5.255 0 40 IKAB COCc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)sc2cccc(F)c12 21601031 GKOOKGQVAWLIHE-LJQANCHMSA-N 443.931 5.093 0 40 IKAB CCCn1nnnc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22111863 BLOOBSFMTNIWPV-UHFFFAOYSA-N 426.735 5.234 0 40 IKAB O=C(CSc1nnc(NC2CC2)s1)N1c2ccccc2SC[C@H]1c1ccccc1 23053681 HMYAWNHMDIVVKF-KRWDZBQOSA-N 440.619 5.085 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1ccccc1-c1nc2ccccc2s1 24499084 PNAFDKUGBDZSQT-UHFFFAOYSA-N 431.542 6.169 0 40 IKAB Cc1ccc(-c2nc(CN3CCC[C@H]3C(=O)Nc3ccc(Cl)cc3Cl)co2)c(C)c1 26461314 BURXMFJXDRMTEJ-NRFANRHFSA-N 444.362 5.868 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 27776711 AFTPSOOJOPTDHS-ZDUSSCGKSA-N 426.929 5.399 0 40 IKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc12)C[C@H]1CCCO1 27990886 ZSKIYSZPAYXZFT-HXUWFJFHSA-N 447.918 5.421 0 40 IKAB Cc1ccc(C)c(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 28208695 UTUBOCLPBODPEP-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB CCc1ccc2oc(C(=O)N(Cc3ccc(OC)c(OC)c3)c3ccccn3)c(C)c2c1 28404653 ZKZLMAANAGTYST-UHFFFAOYSA-N 430.504 5.563 0 40 IKAB Cc1ccccc1-n1c(SCc2nc(-c3cccs3)no2)nnc1-c1cccnc1 32671904 MWFHCMXARGUZQZ-UHFFFAOYSA-N 432.534 5.042 0 40 IKAB COc1ccc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)c(OC)c1 33022099 ALVHOIBQBHNMEA-UHFFFAOYSA-N 434.521 5.120 0 40 IKAB CC1=NN(c2ccc(C)cc2)C(=O)[C@@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 33428985 FIGLBODDVBPGOD-GGAORHGYSA-N 438.369 5.082 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501414 XVGKKDHWTBQWEO-HRAATJIYSA-N 425.479 5.038 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCCCCC3)cc2)sc2c1CCCC2 38857845 KHBAVTYAJZVJER-UHFFFAOYSA-N 440.609 5.432 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F 40135349 TZRWOOHDYMWNHF-ZIAGYGMSSA-N 435.902 5.072 0 40 IKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(C(C)(C)C)cc2)n1 40556431 WTDGWRPBNDYFPZ-UHFFFAOYSA-N 428.627 6.601 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 44885912 DGQYWBREWWFOOL-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)c1 44916142 XMVXONUGXRSNPL-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB CCOc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(Br)c1O 57826871 AUTKQMFRKGBQBM-LCYFTJDESA-N 448.338 5.569 0 40 IKAB CCCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 58171224 VKDRJQVOHSNNQX-NRFANRHFSA-N 448.394 5.521 0 40 IKAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1csc2ccccc12 64033622 HEPUTOBOAZNPHV-INIZCTEOSA-N 443.524 6.130 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 67245269 FWMHQVYMDSQQEO-UHFFFAOYSA-N 425.513 5.738 0 40 IKAB O=c1c2sccc2nc(SCCc2ccccc2)n1-c1ccc(Br)cc1 71327535 FPTRHOJWVSHQEU-UHFFFAOYSA-N 443.391 5.545 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5C)cc34)co2)cc1 96154283 IBKMMTWUOJGXJD-UHFFFAOYSA-N 426.432 5.114 0 40 IKAB COc1ccc(F)c(CN2[C@@H]3CC[C@@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)c1 100487486 YZKYGPBGTGLNCH-NTKDMRAZSA-N 428.511 5.114 0 40 IKAB O=c1c(C2=NCCCCC2)c2[nH]c(-c3ccc(Br)cc3)cn2n1-c1ccccc1 101083786 HTXQSNPQQAFYGH-UHFFFAOYSA-N 449.352 5.211 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC(F)F 106683564 RLMCDHLTAOBMMT-SXGWCWSVSA-N 425.840 5.187 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222802317 ZJSHWLFHGVBYQL-MOPGFXCFSA-N 428.355 5.097 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 223407461 IBBVXBZOXXZFBF-QFIPXVFZSA-N 444.616 5.338 0 40 IKAB CC(C)c1ccc(CNC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224096634 MNHTVRLPBRILJW-UHFFFAOYSA-N 442.968 5.194 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccccc1C 224127230 FFUOLAWCTXYGDL-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224176965 LFOLJNXVAMIKKC-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 224365940 KTMRSIISDALRRX-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224407567 HLKJGZXNLRUMEZ-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224472841 WRPJWQYOWNQIKU-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224539622 UYOIORLTBQSCHO-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224540765 KKYUCAOWWYHPJS-VWLOTQADSA-N 436.640 5.496 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224550280 VFEBGYXXHQQWIM-QGZVFWFLSA-N 441.930 6.256 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C(C)C 224570864 AEADZDKIJHGKJI-UHFFFAOYSA-N 431.576 6.965 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c(Cl)c1 225006703 AXNJSKFXGBWNMW-UHFFFAOYSA-N 444.796 6.351 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 225199625 YREQACRDFOBQCH-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225230621 HZAQWKZZJIUIKX-PMACEKPBSA-N 440.603 5.388 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OCc1ccccc1 225552043 CZYVORMNAYCOSJ-UHFFFAOYSA-N 433.979 7.068 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 225688242 KNQSNZNWCNYAOE-OAQYLSRUSA-N 426.582 5.605 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12 225934189 FFZZJAJVEHLWLF-UHFFFAOYSA-N 427.931 6.177 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cc2cc(OC)ccc2nc1C 226095995 OAJYZZWDDDNIQQ-UHFFFAOYSA-N 427.342 5.691 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 253609609 NJICGAVMYWKCMW-LSGPWRKHSA-N 442.728 7.738 0 40 IKAB biogenic,in-vitro Cc1nccn1Cc1ccccc1C(=O)N1C[C@H]2CCC[C@H](Cc3cccc(F)c3)[C@H]2C1 257241565 HYOIWZHZYXXZEC-WHSBFGAESA-N 431.555 5.110 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257249200 JHGHOSIWAIHJPO-NRFANRHFSA-N 437.543 5.310 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)ccc3C)n2)cc1 408526395 AHRGHJILFIJGPX-UHFFFAOYSA-N 447.482 5.519 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 408598737 AIYVVXRXWGSTOT-VXLYETTFSA-N 444.940 5.050 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(O)cc1 408840219 CMDCXQXSFZNPEJ-QGOAFFKASA-N 431.904 5.490 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1F 409125789 BAICCNJREVPYHG-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1C 409357214 JVIYREKBIAIHNM-MTJSOVHGSA-N 438.549 5.013 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 409360914 NZEOHHVFXRETIR-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(-c3ncco3)c2)c1 543311733 QXEWPTFAAZRJPA-DQEYMECFSA-N 439.515 6.113 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccc5c(c4)OCO5)ccc3c2N)cc1Cl 661414 JSZXPSOCBZGVJY-UHFFFAOYSA-N 437.908 5.488 0 40 IKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1ccc(Br)cc1 936114 YOKZBZOCHGZJGF-UHFFFAOYSA-N 442.316 6.169 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NCc1cccs1 1367675 DCUDCWBORCBEMS-UHFFFAOYSA-N 425.966 5.420 0 40 IKAB CCCc1nc(SCC(=O)Nc2nc(C(C)(C)C)cs2)c2c(C)c(C)sc2n1 1372218 GMBGEDKGCTVLLJ-UHFFFAOYSA-N 434.656 5.745 0 40 IKAB Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2)cc1 1769139 SZEQYLBGLGRXRP-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB biogenic Cc1cccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccc(C)cc34)cc2)c1 2078824 AVWVUVVLQXMLGJ-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB CCOc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 2194288 NLVMFSUPGGVACN-GOSISDBHSA-N 439.519 5.092 0 40 IKAB Cc1cc(Br)ccc1-n1c(-c2cccc(Cl)c2)nc2nc3ccccc3nc21 2238978 FQXOJGTYWDUGRW-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 2270800 FAGCPZPKAGIRTC-MRXNPFEDSA-N 426.651 6.490 0 40 IKAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)N[C@H](c1ccccc1)C1CCCC1 2316771 ZMWYKOXCGMTGRE-RUZDIDTESA-N 432.564 5.281 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(C)cc1 2452818 UEKJYDPOFNJXGN-UHFFFAOYSA-N 428.561 5.671 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(Br)ccc1I 2617697 RTDMQUPUPOQIHY-UHFFFAOYSA-N 444.110 5.429 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccccc4OC)cc2-3)cc1 2690122 VHGJQYULNFCBGR-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCO4)cc1 2690138 KWRRJRNDNQVOAC-UHFFFAOYSA-N 437.499 5.606 0 40 IKAB Cc1c(Br)cc2nc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)nc2c1C 2950559 YYRTWTBJNJOUFK-UHFFFAOYSA-N 425.276 6.621 0 40 IKAB O=C(CCc1nc2ccccc2s1)Nc1nnc(SCc2ccc(Cl)cc2)s1 3281807 XJRPQYPZUYJYPA-UHFFFAOYSA-N 447.010 5.665 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@H]3C)cc(=O)oc2c1 3365640 YHGDNZZBCVIOSX-UTKZUKDTSA-N 446.576 5.798 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 6059805 LNFAZIGWVYVNRQ-MRXNPFEDSA-N 446.012 6.737 0 40 IKAB COc1ccccc1CSc1nnc([C@@H](C)N2CCCCC2)n1-c1ccc(F)cc1 6582589 MCHXCYXVUZFQNC-QGZVFWFLSA-N 426.561 5.254 0 40 IKAB CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCCC[C@H]3c3cccnc3)cs2)n1 8777826 JTZHZRBRUBPURB-KRWDZBQOSA-N 449.502 5.233 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 8821674 MMQDPPWWWTXTQF-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8898716 AGRMAZAPNYDIJI-UHFFFAOYSA-N 438.531 5.356 0 40 IKAB C[C@@H](Cc1nnc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)s1)c1ccccc1 9095478 XQRKIXGAVKNEFA-KRWDZBQOSA-N 442.544 5.389 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3Oc3ccc(C(=O)OC)cc3)c(O)c2)cc1 9129208 NHELXIOULVKWDX-UHFFFAOYSA-N 442.471 5.583 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc5ccccc5n4)nc3c1[C@H]2c1ccccc1 9185467 ATRNJNHLIMRAPH-QHCPKHFHSA-N 443.466 5.331 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9289105 MAMQYOGMNPVGRZ-ZDUSSCGKSA-N 433.291 5.553 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)n2)cc1 9451716 IABDTUPFUNYFMU-ZDUSSCGKSA-N 426.473 5.253 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2C)c1 9507910 ZHTJEKQLPFQQBA-UHFFFAOYSA-N 440.878 5.194 0 40 IKAB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3OC)nc3ccccc32)cc1 9662735 JIUYLZDZNULUOW-INIZCTEOSA-N 433.533 5.162 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@@H]4CCOc5ccccc54)c23)cc1 9767433 YWCGVRUYKLMZPU-LJQANCHMSA-N 447.585 5.399 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 9779709 KATBWASWSSPFKI-UHFFFAOYSA-N 444.535 5.269 0 40 IKAB O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 9854266 ARHSOCSTUDUVOT-UHFFFAOYSA-N 428.439 5.608 0 40 IKAB O=C(C[C@@H](C(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 12547142 YTIVAFWBAOBASC-SFHVURJKSA-N 433.305 5.565 0 40 IKAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 12554257 JNOUMFJSCLPXCS-KGLIPLIRSA-N 432.952 5.046 0 40 IKAB COc1ccccc1[C@@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 13028724 FXIHKSCSZOZXCN-OAHLLOKOSA-N 435.574 5.336 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Cc1c(F)cccc1Cl)CC2 13042204 DRHCWAAQYJNXRW-VWLOTQADSA-N 439.914 5.213 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1C 13500008 UQYQINDWUIECBB-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB COc1ccc(-c2nc3c(c(S[C@@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 13514064 BHIGDCMBXCVBEA-INIZCTEOSA-N 449.576 5.123 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13659062 KRCIVRSCWDMSLF-QHCPKHFHSA-N 426.604 7.164 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2C(=O)NC(C)(C)C)c(Br)c1 13683942 YTQKDILGFJPLFH-UHFFFAOYSA-N 447.373 5.118 0 40 IKAB CCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 13936087 JTQKSPVKDYGXRI-UHFFFAOYSA-N 445.997 5.512 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2C)cc1 13936243 MEHIKUFPJWDDJY-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[C@H](C(C)(C)C)C2 13942950 ABBJFGTYJMYCSF-INIZCTEOSA-N 429.582 5.266 0 40 IKAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 13966218 GDWPGGWKPLZJII-UHFFFAOYSA-N 428.535 6.744 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c(C)c1 14154837 VSUIPFGOMPNLHW-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1ncc(-c2ccc(Cl)cc2)o1 15419284 YPKFSHMWLFOUEN-UHFFFAOYSA-N 448.748 5.136 0 40 IKAB CC(C)c1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccccc3)c3ccccc32)cc1 15680802 MXOKEIDFWOYNQY-UHFFFAOYSA-N 446.572 5.377 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(O)c(OC)c2)N3)C1 15946217 CNQLMTYELNUCMS-RNODOKPDSA-N 430.570 5.441 0 40 IKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)c3ccccc32)cc1 16778049 UGOPGZJQPGKEIK-UHFFFAOYSA-N 437.421 5.492 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 17098696 SFRFZFQVHWZFEI-UHFFFAOYSA-N 433.943 5.481 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCC4(CC3)OCCO4)c3cc(Cl)ccc3n2)c(C)c1 17100910 BFMHJHVHWPNZMS-UHFFFAOYSA-N 436.939 5.151 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Br)cc4)cc3n2)cc1 20035494 FGWPDHYIOBCREW-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4cccc(Cl)c4)o3)cs2)cc1OC 21548445 BWSNYFHMXODUTP-UHFFFAOYSA-N 445.953 5.823 0 40 IKAB CCN1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 23153876 ALNWRMZYIOYAGA-UHFFFAOYSA-N 425.623 5.922 0 40 IKAB Cc1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)cc1Cl 25391378 OMLOQECUEXERBM-UHFFFAOYSA-N 441.962 6.007 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 27407255 MVMDECIMXWXGAN-RDTXWAMCSA-N 448.589 5.029 0 40 IKAB CC(=O)c1c(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)oc(C)cc1=O 28114351 MVOHKYHIYUUVMP-UHFFFAOYSA-N 431.275 5.828 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 28697008 PBCBFUPUFKZKJJ-SECBINFHSA-N 442.755 5.013 0 40 IKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 32610231 RVJRDAXAXKKASZ-ROUUACIJSA-N 430.335 5.585 0 40 IKAB Cc1noc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1 32902066 QWUHNZZXSYGGFK-KRWDZBQOSA-N 429.545 5.828 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1 33215803 DCZVEZGQQAYIPZ-UHFFFAOYSA-N 427.863 6.134 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)n1C 33716510 FXOIBKAUDLHGQV-GOSISDBHSA-N 449.407 5.541 0 40 IKAB Cc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1C 35533945 LEYGEBUZIVZJKZ-UHFFFAOYSA-N 438.506 5.749 0 40 IKAB Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3nc(C)ccn23)cc1 35606381 BIINCYNXCNHUTJ-UHFFFAOYSA-N 442.607 7.057 0 40 IKAB CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 36617104 XGWQLPRMTHBTNR-UHFFFAOYSA-N 434.270 6.028 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)N(C)C2=S)cc1C 44599065 IHOBBMDZDMYWAX-OCKHKDLRSA-N 440.366 5.152 0 40 IKAB c1ccc(-c2csc3nc(C4CC4)nc(NCc4ccnc(N5CCOCC5)c4)c23)cc1 58162768 SBMATVARZBXYFL-UHFFFAOYSA-N 443.576 5.079 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 58420827 FPESYYXGWKSLLH-UHFFFAOYSA-N 444.438 5.767 0 40 IKAB CSc1cccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c1 67341472 OEYFPOSRKRIFEF-UHFFFAOYSA-N 425.623 6.003 0 40 IKAB CCCCCCc1cc2cc(-c3nnc(-c4ccc(C)cc4)o3)c(=O)oc2cc1OC(C)=O 69871448 TYTDXRBGOHXSMJ-UHFFFAOYSA-N 446.503 5.867 0 40 IKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 84357588 FYXLQXOSGHZHJY-KYLMHTFMSA-N 439.993 6.295 0 40 IKAB Cc1ccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)cc1C 96037897 WEZLPJZXGVYRKA-UHFFFAOYSA-N 425.513 6.487 0 40 IKAB CC1(C)[C@@H]2CC[C@]1(C)CN(C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 100330052 IVFYNVUWEOJAST-IYJATWDHSA-N 445.434 6.220 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 106741612 YNINLIIOOABIGV-ODLFYWEKSA-N 435.904 5.513 0 40 IKAB C[C@@H]1CCCCN1Cc1ccc2oc(-c3cccc(I)c3)nc2c1 216839310 LBYYUHPIBJSMIJ-CQSZACIVSA-N 432.305 5.474 0 40 IKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 219420979 RSQYZFISWHBPEI-UHFFFAOYSA-N 447.450 6.078 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223540305 MUTZJVYHKIVROI-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 223717156 MMLOMODVISUUEC-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224407370 YFUNIVDUHADXHH-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(F)c1 224576081 DURUBFTXRVWTKH-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224704030 ZSIQJUAOVGUFKO-GOSISDBHSA-N 444.978 5.196 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224757944 ZFWJOOQULFDYFQ-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)ccc1F 224907693 VKWINAOEAOIMOV-DNQXCXABSA-N 444.535 5.203 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCCNc1ccccc1 225034177 DFPLHEBKAWVOFG-PMACEKPBSA-N 429.014 5.271 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225218478 AWPUHGQEZHESSM-RUZDIDTESA-N 438.587 5.241 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225460447 KQBQPGMNKCPDPS-AVRDEDQJSA-N 447.044 5.544 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225585145 NTBFIXWSODOLLG-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC 225763825 YIYRKDPJKWYWOH-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB CCN(CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1)c1ccccc1 245285396 WYPUQCMXCOJEKG-PHPARIFJSA-N 449.598 6.336 0 40 IKAB O=C1c2cc3c(cc2[C@@H]2C[C@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 247798830 DSTSQAROMMWVIN-VTZPFEBOSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro COc1ccc(NC(=O)CN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257215440 CQCOYUIXGRFKFG-NRFANRHFSA-N 449.982 5.153 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Br)cc1 408561362 IHWGTFILCAORSW-LNVKXUELSA-N 429.383 5.611 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408639682 GVCWQBBKIXXNEP-HXUWFJFHSA-N 444.531 5.486 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2Cl)nc1-c1ccc(F)cc1 408694285 IKAQMBSXJABSAU-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O 409218203 DJOKLUWMHCVVRD-JLPGSUDCSA-N 445.540 5.938 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(-c3nc4cccnc4s3)cc2C)cc1C 585151804 MMBHRAIHYOLYFJ-UHFFFAOYSA-N 439.562 5.093 0 40 IKAB Nc1c(C(=O)NCCc2ccc(Cl)cc2)sc2nc(-c3ccc(F)cc3)ccc12 661671 WUFQAQRFIZWLTD-UHFFFAOYSA-N 425.916 5.311 0 40 IKAB CN(C)c1ccc(-c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1 663350 BQDYCEVQZUKVKO-UHFFFAOYSA-N 434.969 5.258 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 674781 ZCLHYOSGLYGZBR-HEFCMCLBSA-N 444.457 5.157 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccc(F)cc3)s2)cc1 702330 GADROJHQYVYOAG-UHFFFAOYSA-N 431.558 5.285 0 40 IKAB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 944093 TXXNOZXSYMJCNG-IBGZPJMESA-N 433.573 6.538 0 40 IKAB CCOC(=O)c1c(C)n(-c2cccc(C)c2)c2ccc(OC(=O)COc3ccccc3)cc12 974547 KBROIQRLLAQADL-UHFFFAOYSA-N 443.499 5.408 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)/C=C/c1cc(Br)ccc1OC 1854411 DQPBDEMPEOELFE-BRADTZPFSA-N 447.398 5.498 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1nc2ccc(F)cc2s1 2197767 DIJROBBWRNGMJJ-FQEVSTJZSA-N 428.444 5.292 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2237554 SQLBQLWLTIYIKW-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(c1nc(C)c(C)s1)C3=O 2408139 GQFFCXXIUPXGCV-LJQANCHMSA-N 436.920 5.578 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2443808 ZMIMTGOBGIBEQN-UHFFFAOYSA-N 442.588 5.963 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c23)C1 2679630 HPFJQVYJFJHSIU-CQSZACIVSA-N 432.515 5.162 0 40 IKAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)cc1 2889697 QABDHCXFUHFRNN-UHFFFAOYSA-N 430.323 5.525 0 40 IKAB O=C(NCCCCCNC(=O)Nc1cccc2ccccc12)Nc1cccc2ccccc12 3144947 HYMUHXUKRZGZCD-UHFFFAOYSA-N 440.547 6.107 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)n1nc2c3c(cccc31)C(=O)c1ccccc1-2 3186868 MXNQOINMYBLTPI-UHFFFAOYSA-N 439.858 5.553 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)s2)cs1 3226564 UJRORKWPLONXLH-UHFFFAOYSA-N 429.748 5.305 0 40 IKAB Cc1ccc(-n2nc(C)c3c(C(=O)Nc4nccs4)cc(-c4ccccc4)nc32)cc1 3351845 BVUHSQUSGOAXNR-UHFFFAOYSA-N 425.517 5.413 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 3367538 UGPNJBZMSYAMGW-LBPRGKRZSA-N 429.954 6.032 0 40 IKAB O=C1N[C@H](c2cccc(OCc3ccccc3)c2)Nc2c1sc(=S)n2-c1ccccc1 3666635 LAUPQMQIHPFGTH-OAQYLSRUSA-N 445.569 5.701 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)cc(C)c2C)c2ccccc21 4555226 MYHZZPOMFZRIHU-NDEPHWFRSA-N 427.544 5.236 0 40 IKAB CCOc1ccc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2c1 6134272 WMUJZYVGFOXRGJ-UHFFFAOYSA-N 432.332 5.990 0 40 IKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3c(CC)cccc3CC)c2c1 8383381 SDAUXWKEUMEZQD-UHFFFAOYSA-N 442.990 7.495 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl 8405729 NPVPPCXSDYYGHQ-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB c1ccc(Cc2nc(-c3ccc(Nc4nc(-c5ccccc5)cs4)cc3)cs2)cc1 8441999 BBSDFBZZVLTMAO-UHFFFAOYSA-N 425.582 7.268 0 40 IKAB C[C@H](Cc1ccc(Cl)cc1)NCCO[C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 8748949 XIRRZPCWSNKZAJ-MZNJEOGPSA-N 432.366 6.459 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 8825350 WQPVZDDCOPHBLF-UHFFFAOYSA-N 430.577 5.144 0 40 IKAB Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)(C)C 8870415 NUUSTRVBXPMOHL-UHFFFAOYSA-N 443.565 5.795 0 40 IKAB Cc1cc(C)c(C)c(Cn2c(CCNC(=O)c3ccc(Cl)cc3)nc3ccccc32)c1C 8871542 FJOXUYLFEYBOAX-UHFFFAOYSA-N 445.994 5.944 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)oc2c1 8915597 GDLIURBLCCOSKS-UHFFFAOYSA-N 441.414 5.470 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@H](C)[C@@]2(O)C1 8952731 MAKUVLYPLCQIEK-AVCOJGQESA-N 444.656 5.697 0 40 IKAB biogenic O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCC(c2nc3ccccc3[nH]2)CC1 9156665 SALWPAAPJYGSAX-UHFFFAOYSA-N 440.330 6.150 0 40 IKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 9199024 JSBKUJIMEQTMRE-UHFFFAOYSA-N 441.862 5.372 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 9312219 IHUFGXDGWSHTLL-RISCZKNCSA-N 442.393 5.043 0 40 IKAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCC3 9464120 WNCMJRNNBAQIMV-UHFFFAOYSA-N 429.611 5.677 0 40 IKAB Cc1ccc([C@@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(C)nc4c32)cc1 9510519 GLFVOYJADBUZPO-HXUWFJFHSA-N 442.910 5.175 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(OC)ccc(Cl)c3s2)c1 9708976 YYKRDICSYBTLKW-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c1C 9846585 NFDPCDBYZDCUGG-YGRLFVJLSA-N 443.594 5.434 0 40 IKAB O=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 9968505 VFXSQHCHKHAECA-OAQYLSRUSA-N 438.300 5.971 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl 10245776 ZXOKPJHTJMKBQL-UHFFFAOYSA-N 434.879 5.990 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C)cc1 10314984 NKQHRBADRXDFJU-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12375753 JADSSAWHXAGPIK-JLHYYAGUSA-N 436.298 6.362 0 40 IKAB COc1ccc(CCC2CCN([C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 12745535 FOMWAYZJPFJMOI-KRWDZBQOSA-N 434.502 5.386 0 40 IKAB COc1c(F)c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2C)c1F 12856914 CRDFVZOZASVTQB-UHFFFAOYSA-N 431.345 5.016 0 40 IKAB CCOc1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 12879651 YRAJWOBLFMFYEU-UHFFFAOYSA-N 430.577 5.403 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)/C=C/c3ccccc3)cc2)cc1Cl 13133823 MPFAIHZYMYMSEW-BUHFOSPRSA-N 426.925 5.313 0 40 IKAB COc1ccccc1C(=O)COC(=O)c1c(C)c(-c2cccc(Cl)c2)nc2ccccc12 13138060 REFAOLRNWJAVKS-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB Cc1noc(C)c1C12C[C@H]3C[C@H](CC(Cc4nc5c6c(C)c(C)sc6ncn5n4)(C3)C1)C2 13640798 ZGEUKQJBADTMCH-FLCJAFJVSA-N 447.608 5.641 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709151 MRUZYWSSXDOITF-HXUWFJFHSA-N 427.569 6.847 0 40 IKAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 13779184 UMZFKDLJITZBCJ-CYXNTTPDSA-N 434.495 5.199 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 13806143 QZVLTMRQRNVSHN-NBGIEHNGSA-N 448.906 5.710 0 40 IKAB O=C(COCC(=O)Nc1cccc(Cl)c1Cl)Nc1ccc(Oc2ccccc2)cc1 13880344 NBQIANUIWMODLM-UHFFFAOYSA-N 445.302 5.380 0 40 IKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)c3ccccc3n2C)cc1 13942424 CXFNAUQDRCHVEY-PIKZIKFNSA-N 436.555 5.878 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 14272190 DINJZWLXRCAYAM-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)c(C)c3)c3ccccc23)cc1 15680820 KPKWBDGRYQMIDD-UHFFFAOYSA-N 446.572 5.179 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 16576175 ZMPUABWMIXOKEL-KXEBGOAGSA-N 440.027 6.622 0 40 IKAB Fc1cc2c(c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)c1)OCOC2 16629203 ILTUSFFYEDNMEI-UHFFFAOYSA-N 426.947 5.615 0 40 IKAB COc1cccc([C@H](Nc2nc(-c3cccs3)nc3ccccc23)c2nccn2C)c1 17591109 CUQXYKVTDKCCRR-NRFANRHFSA-N 427.533 5.302 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4C[C@@H](c5ccccc5)CC[C@H]4C3=O)c2)cc1 17988517 KARCJUPLQAHYHT-GPUOULLFSA-N 438.527 5.321 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20152846 FHYXNRCDOMAVRP-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)[nH]c1-c1ccccc1)Nc1nccs1 20182354 CLDVNFSEXRJDID-UHFFFAOYSA-N 426.954 5.584 0 40 IKAB C[C@@]1(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)CC1(Cl)Cl 21601526 KODHJRHHWSDLKU-SFHVURJKSA-N 428.747 5.245 0 40 IKAB O=C(O)/C=C/c1cc(Br)cc(Br)c1OCc1ccccc1Cl 22077351 WZAUBFFZRGLARX-AATRIKPKSA-N 446.522 5.542 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccco3)C34CC5CC(CC(C5)C3)C4)ccc12 25056807 JZXCRVIZPCRENE-UHFFFAOYSA-N 447.531 5.071 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(F)cc3F)cc2)cc1 25391099 NBSTVDSCSLPWQV-UHFFFAOYSA-N 431.504 6.246 0 40 IKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1cccc2ccccc12 27905498 OTQNUIKXYBVHGK-MHZLTWQESA-N 440.568 6.514 0 40 IKAB CCCCn1c(SCc2nc(-c3cccc(Cl)c3)oc2C)nc2ccccc2c1=O 32984654 JAXUDDGHICBNJS-UHFFFAOYSA-N 439.968 6.106 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)cc(I)c1OCC 33761047 MSXQEUQNMLDTTG-UHFFFAOYSA-N 431.701 5.354 0 40 IKAB O=C(NC(=S)Nc1ccccc1C(F)(F)F)c1sc2cc(Cl)ccc2c1Cl 34888493 UEFCMIIDFRDPBD-UHFFFAOYSA-N 449.306 6.354 0 40 IKAB COc1cccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccs2)c1 46022255 MYWDBHTWGVOWJG-UHFFFAOYSA-N 427.595 5.380 0 40 IKAB CC(C)OCCCN1COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2C1 57173024 TXWKAXWNFRXTCN-UHFFFAOYSA-N 447.453 5.446 0 40 IKAB CC(C)(C)c1nn(-c2ccccc2)c2nc3c(cc12)CN(CCc1ccccc1)C(=O)O3 57740596 PSFHDPLGUYFCRN-UHFFFAOYSA-N 426.520 5.275 0 40 IKAB Cc1oc(-c2cccs2)nc1C(=O)OCc1nnc(-c2ccc(Cl)cc2Cl)o1 63969707 AYDPEANAWKBIJX-UHFFFAOYSA-N 436.276 5.425 0 40 IKAB CCc1ccc(-n2cc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 67245351 SAYQUQXGWNJPGA-UHFFFAOYSA-N 439.540 5.992 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4)nccn3n2)cc1 67290369 PEEBCEAVTOLPPF-UHFFFAOYSA-N 438.940 5.179 0 40 IKAB Cc1cccc(C2(CNc3cc([C@H](C)Cn4nc(C)c(C)c4C)nc(C)n3)CCOCC2)c1 72373183 CJDGKHFCNZWEPV-LJQANCHMSA-N 447.627 5.179 0 40 IKAB O=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@H]2c1ccccc1 96797835 ITTQAMYBEGYMAS-GEKRJRFOSA-N 444.578 5.960 0 40 IKAB in-vitro O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccccc1F 106695914 ITXLKAIQPNRUHZ-XKZIYDEJSA-N 437.467 5.780 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1C 106982648 OMINSYFYSWUSCC-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1Cc1ccccc1 214061470 BIGPDFMZCWXTCH-LPYMAVHISA-N 436.964 6.043 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 216372790 RLGFROJLPDLLRK-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 222388779 JZFFTPXPWJAOTA-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1NC(=O)C(C)C 223086295 WDPHFUBFCDSMKP-UHFFFAOYSA-N 433.382 5.111 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223825642 SACWAHZQQXPXCP-RPBOFIJWSA-N 446.620 5.964 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1C 223952703 IVOQYDADEVOUJG-DEOSSOPVSA-N 436.577 5.294 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224035337 LSTWKNWGIPCGOX-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 224041742 HLNDMXPYYGKREW-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)cc1 224305263 GQGITIZEDMWAPZ-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224518314 PZIKGOOBYYGSFC-QFIPXVFZSA-N 447.044 5.153 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cccc(OC)c1 224587991 CRZSRWYSZYIUNU-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224653743 WRRDMNJBVYQOAY-DQEYMECFSA-N 440.572 5.872 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COCC(C)C 224738191 GOOFSLNJRIHLKP-UHFFFAOYSA-N 429.866 6.182 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(F)cc3F)o2)c(OC)c1 224933341 HCLGADXGEVAQEG-UHFFFAOYSA-N 436.414 5.556 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225345202 UDSGYTYKYBKZKW-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408573251 NDQCIIZKUSHSRU-DTQAZKPQSA-N 436.536 7.184 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)ccc1NC(=O)c1ccccc1 408626765 WSWHRTPEHRWAQJ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)c(Cl)c1 408703879 UYLTUURVAXIQKT-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 408911421 JLIXNDVIHFJAPU-NSHDSACASA-N 431.157 6.285 0 40 IKAB COc1cc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1OCc1ccccc1 408919208 UVIGTIUFJJVTNL-QFIPXVFZSA-N 444.922 5.228 0 40 IKAB CCCCCC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 408949121 DTDUYOHGDGBECP-PIGZYNQJSA-N 441.277 5.180 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccccc1 409106363 RONRYGOLJIOTDM-UHFFFAOYSA-N 445.386 5.157 0 40 IKAB COc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409119844 QQCRWZMVDMECFD-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409208755 DCNTYRKHLIPSMF-VCRXTVNUSA-N 444.940 5.037 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Br)cc2)c2cccs2)cc1 868804 QYLLRSKJBDFVEQ-FQEVSTJZSA-N 449.391 5.607 0 40 IKAB COc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 884511 OSVMELFKHILXSS-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2O)cc1 1223785 CVJCHYFHHYHZCH-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB COc1ccc(CN(Cc2ccccc2Cl)C(=O)c2cc3ccccc3oc2=O)cc1 1330084 QXAJZYYEPPADND-UHFFFAOYSA-N 433.891 5.298 0 40 IKAB Cc1cccc(C)c1NC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 1355057 PMMRAFYUFFQKMQ-UHFFFAOYSA-N 447.510 5.392 0 40 IKAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H](C)CC)cs1 1366828 KBSHPTVKQOKPAW-INIZCTEOSA-N 449.576 5.396 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 2073880 ZYFZHCMGTFQTOE-FQEVSTJZSA-N 436.537 5.412 0 40 IKAB COc1ccc(C(=O)C[C@H](c2ccccc2)[C@@H]2CCCCN(c3ccccc3)C2=O)cc1 2097581 LCPKZYWDWZRWST-IZZNHLLZSA-N 427.544 5.885 0 40 IKAB biogenic CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 2108933 SJIHOEKCVPDYLP-BKJWKRJESA-N 434.580 5.291 0 40 IKAB biogenic CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)c12 2147105 DMYOJOWLPWKKLJ-SFHVURJKSA-N 445.556 5.289 0 40 IKAB biogenic CCCCc1ccc(-n2c(N)c(C(=O)NC3CCCC3)c3nc4ccccc4nc32)cc1 2245855 ONNLIZOJSKTVCU-UHFFFAOYSA-N 427.552 5.171 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 2256139 LVQQGWHHVQFJNP-DHIUTWEWSA-N 430.870 5.283 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 2297901 JWJSKDDXHKBQPS-DEOSSOPVSA-N 428.467 5.209 0 40 IKAB Brc1ccc(-c2n[nH]c(SCc3csc(-c4ccccc4)n3)n2)cc1 2626029 FQMWWQPEJAVBIN-UHFFFAOYSA-N 429.368 5.650 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)c(Cl)c3)cc2)cc1 2630345 JIRHRVBUCNRXPT-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CC[C@H](C)C2 2736772 LNZKKRIMLFITCE-VEMDQMBVSA-N 425.594 6.213 0 40 IKAB Cn1nc(CSc2ccccc2)c(CSc2c(Cl)cccc2Cl)c1Cl 3105910 UGCLVFLYUUJELI-UHFFFAOYSA-N 429.825 6.965 0 40 IKAB Cc1ccc([C@@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3N=C3C=Cc4ccccc4N32)cc1 3290240 CIWBTEWASSYBSP-AREMUKBSSA-N 436.946 6.809 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 3314192 JQFUFXHJLFLBHK-NDEPHWFRSA-N 449.550 6.359 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)cc1Cl 3318281 NGKZEOKKIQLHJG-HXUWFJFHSA-N 440.977 6.430 0 40 IKAB O=C(COC(=O)CSc1ccc(Cl)cc1)Nc1cc(Cl)c(Cl)cc1Cl 3352894 VKEPZDNXXGUITL-UHFFFAOYSA-N 439.147 5.574 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N(CCc2ccccc2)CCc2ccccc2)cc1 3363755 TWBTZJNXUYVSME-UHFFFAOYSA-N 432.589 5.051 0 40 IKAB COCc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)oc2ccccc12 3405993 QBOTWMZZURROBN-UHFFFAOYSA-N 429.498 5.114 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)cc1 3433752 GHTKALVTWSYITA-UHFFFAOYSA-N 448.617 6.069 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C1=N/C(=C/c2cc(Cl)cc(Cl)c2O)C(=O)O1 5648402 OUPLSFAPONKZAR-VIZOYTHASA-N 449.677 5.660 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 6135487 XKOOAFOYGHNPLJ-UHFFFAOYSA-N 447.648 6.239 0 40 IKAB CCOc1ccc2nc(NC(=O)CSc3ncnc4sc(C)c(C)c34)sc2c1 6631237 PUDFLANWUHBQGU-UHFFFAOYSA-N 430.580 5.047 0 40 IKAB FC(F)(F)c1cc(C(F)(F)F)c2ccc(Oc3ccc(Cl)cc3Cl)nc2n1 8733714 UOIXBJOKKTXZMN-UHFFFAOYSA-N 427.131 6.767 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810827 PIXNSVNRLDTPKS-UHFFFAOYSA-N 430.476 5.141 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 8869378 HJOGPEXYPVBIEC-HSZRJFAPSA-N 435.520 5.182 0 40 IKAB CC(C)COc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902777 UIXJWRKSLPCNJW-UHFFFAOYSA-N 435.505 5.429 0 40 IKAB Cc1cccc(CSC2=NCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)c1 9277440 UQLTXVICFHMPMF-UHFFFAOYSA-N 425.941 5.357 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccs1)c1ccc(Cl)cc1Cl 9348842 RTECLFHFSJFCNK-UHFFFAOYSA-N 432.353 6.549 0 40 IKAB CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 9409260 XWOSZTWEQGYXLG-VWLOTQADSA-N 433.552 5.697 0 40 IKAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 9536335 ALVCOJZWERXKFF-UHFFFAOYSA-N 427.529 5.271 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)cc1Cl 9632546 HDQNCNALMFDYLD-UHFFFAOYSA-N 444.944 5.519 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1Cc1ccccc1 9729525 XVOVQZQJECZWSE-ZWKOTPCHSA-N 444.560 5.045 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 9797804 MBFLCLAZECXJCO-OAHLLOKOSA-N 435.524 5.416 0 40 IKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc12 10187569 MFCNUUJAXABJQQ-UHFFFAOYSA-N 429.954 5.652 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(OCC)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 12196612 GEVDRPVWKFXUFD-SQHAQQRYSA-N 444.531 5.735 0 40 IKAB COc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C 12579058 ZLNDAUJJCNAWKX-LJQANCHMSA-N 427.932 5.237 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl)C(N)=O 12587518 NPIAOSBVGMMUSA-LBPRGKRZSA-N 449.407 5.505 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)cc2c1 12644927 UYTJIVGKIJMRHS-UHFFFAOYSA-N 432.907 5.033 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCCc1cccs1 13112892 GFPUHVJCSOFHQO-UHFFFAOYSA-N 447.029 5.226 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2cc(-c3ccco3)on2)n1C1CC1 13126080 WLGXLYZODQEVKH-UHFFFAOYSA-N 428.901 5.386 0 40 IKAB Cc1ccsc1-c1nnc(SCC(=O)c2cccs2)nc1-c1sccc1C 13566489 MROSCXQQLUQOSC-UHFFFAOYSA-N 429.617 5.982 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@@H](C)Oc1ccccc1Cl 13870826 LJBUJACFZVIRHF-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)OCc1cc(-c2ccccc2)on1 15337325 PYPXLARZPSEEQS-FQEVSTJZSA-N 447.318 5.146 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 15787652 NKRKXKFXNFSZJH-UHFFFAOYSA-N 432.392 5.012 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 16268796 IGXPLUUMLVUREQ-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB CCN(CCO)[C@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 16943323 OUUMPQIDYVRUGJ-LJAQVGFWSA-N 435.567 6.259 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 17095998 SBXUSMDKNRVWRF-GOSISDBHSA-N 428.536 5.514 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3ccccc3)c(C)c2)c(F)c1F 17097867 WTACXQQSZAVYTL-UHFFFAOYSA-N 432.373 5.065 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 19402659 NVEUZSABFSVOCN-SHQCIBLASA-N 440.591 5.013 0 40 IKAB CC(C)Oc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 19450868 LRWDIRNFKZDFFZ-FYYLOGMGSA-N 441.641 5.190 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1 19690987 ZNOYDKQPPIDESN-UHFFFAOYSA-N 444.575 5.622 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC 21789257 MBGPPPJDLCGURR-JOCHJYFZSA-N 428.532 5.446 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(OCc2ccccc2Cl)c1 22258509 VGTMVYYKWBFRTD-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB Cc1nc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n(C[C@@H]2CCCO2)c1C 23077360 DDBPKJGTPURQFF-QHCPKHFHSA-N 449.620 5.019 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNCCN2CCOCC2)c(Cl)c1 23469463 UGKLMWWJTGFCLY-UHFFFAOYSA-N 445.390 5.147 0 40 IKAB CC(C)c1nnc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)s1 25323183 VRLUMKGVCSVEAV-UHFFFAOYSA-N 443.576 5.020 0 40 IKAB Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@H]2c2cccs2)c1 25742879 XHPCNQFIIBHLHK-IBGZPJMESA-N 448.573 5.305 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccc(Cl)c2)c1C 26770902 UUGPYEIUDUAKPM-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(F)cc1 28629374 JCAMUYYFRICFSR-UHFFFAOYSA-N 448.501 6.674 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCc2sccc2[C@H]1c1cccs1 29421800 UEJZYNKRLLMBQL-IBGZPJMESA-N 445.635 5.507 0 40 IKAB Cc1cc(Br)c(NC(=O)Cn2ccc3cc(Br)ccc32)cc1C 32124563 STKKZVGVRUKQDR-UHFFFAOYSA-N 436.147 5.422 0 40 IKAB COc1cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)ccc1OCc1csc(C)n1 32769201 JGQCRIWPWYVZEZ-OAHLLOKOSA-N 440.590 5.570 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 34746279 LMZWRBFGZUJIDG-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 34897903 ACMQEXHXLYQTAU-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c(C)c1 35292048 BJINZHUENOUKFU-UHFFFAOYSA-N 429.545 5.556 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(CN3CCCCCC3)cc2)sc2c1CCCC2 38857970 QIWDQEYCHSQEGR-UHFFFAOYSA-N 426.582 5.042 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cn2)cc1C 40122698 CUWHORCKBUHSKK-UHFFFAOYSA-N 447.510 5.121 0 40 IKAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2csc(-c3ccccn3)n2)s1 40139835 JMURLLHGKYBFJM-UVTDQMKNSA-N 425.926 5.046 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc(C)c1I 57315652 BQZWGVXJFJLOSG-PKNBQFBNSA-N 443.284 5.820 0 40 IKAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317245 AVYZYUWWNSNQJZ-UHFFFAOYSA-N 441.639 5.166 0 40 IKAB COc1ccccc1NC(=O)CCCCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 58305317 ZZZWRSFJFFUXMY-UHFFFAOYSA-N 446.551 5.033 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1nc(N2CCCC2)ncc1Cl 58413525 PXSGIIWEBWJKMV-UHFFFAOYSA-N 429.307 5.428 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2F)c(Br)c1 64984996 WLUWRNXDIGKUBH-UHFFFAOYSA-N 445.126 5.492 0 40 IKAB Cc1nc2cc(F)cc(C(=O)Nc3ccc(NC(=O)N4CCCCCC4)cc3)c2nc1C 70017552 MRHVDINOBHKMBV-UHFFFAOYSA-N 435.503 5.046 0 40 IKAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3cccc4nccnc34)C2)cc1 72314558 QUNOUTVJOCJPCO-QHCPKHFHSA-N 439.544 5.187 0 40 IKAB COc1ccc2c(C)c(CCC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)c(=O)oc2c1C 96221598 BVOGNRVYHQHJAS-JOCHJYFZSA-N 444.531 5.026 0 40 IKAB biogenic CCOC(=O)c1sc(N2N=C(c3ccccc3)C[C@@H]2c2ccc(Cl)cc2)nc1C 96319012 FHVSEHYJQXNHTH-LJQANCHMSA-N 425.941 5.637 0 40 IKAB COc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 101379500 GCLGATWSCADNKQ-BYCLXTJYSA-N 425.557 6.182 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC 102665106 JMBQVHKBHUJOLX-IVZQSRNASA-N 436.899 5.014 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)cc2)C(=O)N1c1cccc2ccccc12 102728071 IKXHSWHUXBQRKK-CCDWMCETSA-N 438.458 5.030 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 103528146 BPNGGJULFGVECG-XZOTUCIWSA-N 448.349 6.236 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 106702008 XKTPAWACPXPPJP-IWIPYMOSSA-N 445.540 5.819 0 40 IKAB Clc1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl 107040472 SILJNNQFGFEZCZ-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)cc1Cl 107758990 WCDQLKQDGOWQOS-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 107838613 BFSOURUTQODDHA-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc2ccccc2c1 113627237 KTVCWHCDJUJPKD-ZRZAMGCNSA-N 442.540 5.026 0 40 IKAB C[C@@H](CC[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926913 PRJNMBBZEPYCTP-OMAREYFJSA-N 436.680 7.076 0 40 IKAB C[C@@H](CC[C@@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926920 PRJNMBBZEPYCTP-LTZZPTABSA-N 436.680 7.076 0 40 IKAB CCc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 145475706 NYFZJOJGQNEWNG-UHFFFAOYSA-N 436.577 5.206 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(F)cc1Cl 205687345 ZKQCEZXQOBLYPG-VXLYETTFSA-N 448.302 6.629 0 40 IKAB C[C@H]1C[C@@H](C)CN(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)C1 215683341 WOTUQJMIKNKYIM-PHIMTYICSA-N 439.528 5.744 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 223023439 XMPBNBOBKSXTJR-HXUWFJFHSA-N 440.893 5.173 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 223268638 IQCOJJXBCXGUNY-GOSISDBHSA-N 448.588 5.204 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223748075 VPFBMELHMOPLLT-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223806211 VLVBSJNISSYTSL-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223969120 CJRWIXROZDVVFO-BJKOFHAPSA-N 445.592 5.134 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2c3c(cccc13)CC2 224101620 UOXQYAHBVBSWFM-UHFFFAOYSA-N 448.588 5.064 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224110230 ODFHXSZOETXREN-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224297702 UFJPGSXFGXVERA-IZZNHLLZSA-N 444.648 6.409 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224768399 CSGFLMAMSDQBHM-HSZRJFAPSA-N 442.603 5.461 0 40 IKAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccc(CSc2ccccc2)cc1 225453558 OMKYYHFYKXUCFK-UHFFFAOYSA-N 430.602 5.651 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 225528433 BMIJVZPPTBRBEX-UHFFFAOYSA-N 440.370 7.023 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2cccc3ccccc23)cc1 225608247 NHOGUSRNOLAQMD-KQWNVCNZSA-N 428.513 5.320 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 225629340 GGYWAJJYIDIJDJ-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB C[C@@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010409 YUDXYEYZOFFAEX-LJQANCHMSA-N 444.693 5.103 0 40 IKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3ccc(OC)c(Br)c3)nc2c1 226283756 DYMLFPORKKATGK-UHFFFAOYSA-N 443.219 5.181 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccc(Cl)cc1Cl 409060872 YVIJZIBVJUPQEA-UHFFFAOYSA-N 445.371 6.438 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 409169762 ZITPGUGLSFDMJM-DEDYPNTBSA-N 439.298 5.670 0 40 IKAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)C1=O 409192170 VDXKFCCGCLKULY-VIZOYTHASA-N 446.117 5.402 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409263858 MYPYQBJRFZHEFP-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C1C[C@H](c2ccccc2)[C@H]2[C@@H](NCc3cccnc3)CCC[C@H]2N1Cc1ccc(F)cc1 585261859 YYTPCTSDZWNNNW-ASUDMDKOSA-N 443.566 5.064 0 40 IKAB Cn1cc(-c2noc(CCC3CCCC3)n2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 1775966809 BAWDXPJDXGYOBD-UHFFFAOYSA-N 438.547 5.231 0 40 IKAB CSc1ccccc1NC(=O)N1CCC[C@]2(CCCN(Cc3csc(C)n3)C2)C1 2056224384 PHVVAKUTJBPYMI-QFIPXVFZSA-N 430.643 5.084 0 40 IKAB COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(-n5nc(C)cc5C)ncnc4c23)cc1 642988 WHANYNYIXFOKKB-UHFFFAOYSA-N 443.532 5.229 0 40 IKAB CC1=C[C@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@H](C)C1 783602 WJBCXGNDJCUFGU-VQTJNVASSA-N 434.621 5.713 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(Cl)c2)cc1 1055970 FUVOBRFDFQTYIS-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F 1339141 MQKXLVZLELAECN-RUZDIDTESA-N 445.538 5.366 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNS(=O)(=O)c1ccccc1Cl 1390521 JXCGAPBPGLTNOG-UHFFFAOYSA-N 446.903 5.269 0 40 IKAB C[C@H](Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)OCc1ccccc1 1791351 ISAOOOUZRQNSPE-INIZCTEOSA-N 434.875 5.624 0 40 IKAB CCCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(C)c3ccccc32)cc1 2030645 PPOZJDHLKUGABS-NSIFAMOJSA-N 437.539 5.436 0 40 IKAB biogenic Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c2ccccc12 2052022 MVARJEBZHGWCJG-UHFFFAOYSA-N 449.337 6.960 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccc1 2105174 CFVCUWBBXWWXHW-INIZCTEOSA-N 431.333 6.155 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(COc2ccc(Cl)cc2Cl)c1 2107915 YNCFAZDROPZXEY-UHFFFAOYSA-N 441.141 7.132 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5ccccc5c4)c23)cc1 2220937 WXILKTJBJUAZQJ-UHFFFAOYSA-N 426.566 6.795 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@@H](C(=O)OCC)c3ccccc3)cc12 2365215 CZWAPJGCOPFESX-RUZDIDTESA-N 444.483 5.960 0 40 IKAB biogenic Cc1onc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 2641959 VWJZUNAEAFPPHP-UHFFFAOYSA-N 442.953 5.700 0 40 IKAB C[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)c1ccc(C(C)(C)C)cc1 2792211 JBYGHBNAKJYHNY-GFCCVEGCSA-N 426.301 5.839 0 40 IKAB CN(Cc1ccccc1)C(=O)CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941525 YCARBWFAVNGOFK-UHFFFAOYSA-N 442.588 5.035 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3198528 YNRVVECAUSSSBE-UHFFFAOYSA-N 436.536 6.891 0 40 IKAB C[C@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3233154 XJQXHLRMHUTPEJ-LURJTMIESA-N 441.492 5.186 0 40 IKAB Cc1cc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)n(-c2ccccc2)n1 3237216 IRDANRKQMNZVBE-UHFFFAOYSA-N 440.528 5.475 0 40 IKAB O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)c1cccs1 3268427 YHHHVORCZBAXSJ-UHFFFAOYSA-N 425.560 6.111 0 40 IKAB COc1ccc(OCCSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 3352805 JKTLBQXTNBLJAT-UHFFFAOYSA-N 427.545 5.769 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 3356343 CMRZAWYSHFXBKL-UHFFFAOYSA-N 435.622 5.980 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccc(OC)cc1 4043175 JSHXXHUKOLMTHC-XCZPVHLTSA-N 437.624 5.905 0 40 IKAB biogenic O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccc(Cl)cc2)o1 4082377 JJLPGWRJJWPPAS-UHFFFAOYSA-N 444.943 6.298 0 40 IKAB CCN(CC)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccccc2)cs1 6511318 SOPYDXGBRJTXTE-UHFFFAOYSA-N 449.664 6.486 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1 8673668 ISFVAPJDJQHPTQ-UHFFFAOYSA-N 425.579 5.106 0 40 IKAB CCc1ccc2c(c1)[C@]1(Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 8717674 CYJJHXZMCITFHC-DHLKQENFSA-N 429.907 5.251 0 40 IKAB CCOC(=O)[C@H](Cc1ccc(F)cc1)c1ccnn1-c1c(Cl)cc(Cl)cc1Cl 8762062 YVIGFYDHUOWPGI-OAHLLOKOSA-N 441.717 5.861 0 40 IKAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(C(F)(F)F)cc2)s1 8762404 NZUZGWRXXORVAH-UHFFFAOYSA-N 427.900 7.062 0 40 IKAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8869938 PUJIEUPROGCANC-KRWDZBQOSA-N 443.168 5.577 0 40 IKAB CC(=O)[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)c1ccccc1 9113182 ITMCVGFEMSTYNQ-IBGZPJMESA-N 434.392 6.330 0 40 IKAB CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 9287911 VDDUSYQXSVDMQA-IHLOFXLRSA-N 443.590 7.216 0 40 IKAB COc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)n(C)c3ccccc3c2=O)c1 9327864 BNFDFRYBTSKRDK-UHFFFAOYSA-N 440.543 5.764 0 40 IKAB CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1 9390963 UGMMYDUCNCDDBW-UHFFFAOYSA-N 442.604 5.131 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 9884900 OXJSVHLKXIEGSS-LBPRGKRZSA-N 432.343 5.181 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 10216706 TVDLBIBTCBGJDC-OAQYLSRUSA-N 447.608 5.535 0 40 IKAB CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 10358165 DGDMOHFRZQJACS-UHFFFAOYSA-N 440.540 5.321 0 40 IKAB O=C(CSCC(=O)N1c2ccccc2CCc2ccccc21)Nc1ccc(Cl)cc1 10381873 OBAWDJPUFMGCLP-UHFFFAOYSA-N 436.964 5.475 0 40 IKAB CSc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c1 10433577 HWYYORYLRXLLLJ-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 11117581 PDNQNBQRHGXTLI-WOJBJXKFSA-N 447.482 5.222 0 40 IKAB Fc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN12 12312110 OTTUGFPKVIDRRO-XLIONFOSSA-N 429.314 5.892 0 40 IKAB Cc1cccc2c(=O)[nH]c(CSc3nnc(-c4sc5ccccc5c4Cl)o3)nc12 12883047 XWXUGXBNPIQBCW-UHFFFAOYSA-N 440.937 5.442 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)N1CCN(C/C=C/c2ccccc2)CC1 13126735 UQHWLXBZGSUNKG-XBXARRHUSA-N 433.379 5.010 0 40 IKAB CN(C)CC(C)(C)CNc1cc(-c2ccccc2)nc2cc(-c3cccc(Cl)c3)nn12 13562750 SICUWNDXWGTJOH-UHFFFAOYSA-N 433.987 5.716 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)c(C)c1 13583625 UUVUZZLPURHDJB-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB CCc1ccccc1[C@H](CC(=O)OC)N[C@@H]1c2ccccc2C(=O)N1[C@@H]1CCC[C@@H](C)[C@@H]1C 13892882 VIRAINOWLHFODO-RVXRHLIJSA-N 448.607 5.422 0 40 IKAB COc1ccccc1CCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 14020394 XHSQKYMXHLCQDM-UHFFFAOYSA-N 432.398 5.131 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)N3CCc4sccc4[C@H]3c3cccs3)n2)cc1 14067717 WWEGRMRVKBMVDP-QFIPXVFZSA-N 435.574 5.275 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 15437842 SINQBQHPXJXCMB-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB c1ccc([C@@H]2N[C@@H](c3ccccc3)[C@H](c3ccco3)C23c2ccccc2-c2ccccc23)cc1 16478167 DDHXGJCURYWKBG-CHQNGUEUSA-N 439.558 7.416 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)c(Cl)c2)cc1 17096310 WEZQVJYWRAYNPL-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17101680 AJDCNIGSLMCSNC-UHFFFAOYSA-N 437.710 6.508 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)Cn4ccnc4C)C3)c(-c3ccncc3)c2c1 19220112 OCZILPKVJXUIBB-SIKLNZKXSA-N 441.579 5.086 0 40 IKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccsc3)CC[C@H]21 19347736 LHJHDPOETRCZDD-KCZVDYSFSA-N 426.582 5.079 0 40 IKAB O=C(c1cccc(F)c1)N1CC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373304 RIIBYAYHSWGCTI-HXUWFJFHSA-N 439.494 5.051 0 40 IKAB CCc1noc(CC)c1C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521316 LOQFCJMZSIONGO-MRXNPFEDSA-N 449.580 5.272 0 40 IKAB COCc1ccc(OC)c(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 19565000 NRFUSRCVEGVFJG-UHFFFAOYSA-N 431.483 5.003 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cc(-c4cccc(C)c4)nc4ccccc34)sc2c1 19630070 JUVJUQWZYBEMQO-UHFFFAOYSA-N 439.540 6.471 0 40 IKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2c(C)cccc2C)cc1OCC 22073086 BRFCCWATXNMHTM-UHFFFAOYSA-N 433.552 5.403 0 40 IKAB CCOc1cc(CNn2c(C)n[nH]c2=S)ccc1OCc1ccc(Cl)cc1Cl 22112334 BKAIJFWNNXCNIZ-UHFFFAOYSA-N 439.368 5.277 0 40 IKAB Cc1ccc2nc(COc3cccc(C(=O)N(C)Cc4nc5ccccc5s4)c3)cn2c1 22375395 QGEDIIJTCTZFQP-UHFFFAOYSA-N 442.544 5.104 0 40 IKAB O=C(CCCn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 24697618 NGBDQFYTRSFTCB-UHFFFAOYSA-N 440.528 5.092 0 40 IKAB COc1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2cccc(C)c2C)cc1OC 27525486 HQQRTTHXSXZZAR-DQSJHHFOSA-N 444.600 6.326 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(Br)cc1C(F)(F)F 27976905 IQWUYDRINAVXIW-UHFFFAOYSA-N 438.247 5.523 0 40 IKAB Cc1cccc(CSc2nnc(Nc3ccc(C(C)C)cc3)c(=O)n2-n2cccc2)c1 28536511 AQSPDYINZSCUBH-UHFFFAOYSA-N 431.565 5.219 0 40 IKAB CCc1nnc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)s1 28539363 JFEAGQATVIUMKV-UHFFFAOYSA-N 437.528 5.630 0 40 IKAB O=C(COc1ccc2oc3ccccc3c2c1)N1CCC(c2nc3ccccc3[nH]2)CC1 29267775 AZNDZPJOAKEYKS-UHFFFAOYSA-N 425.488 5.247 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cn(-c2ccccc2)nc1-c1cccc(Cl)c1 33404619 MUXWYLWXDAYHFD-CIAFOILYSA-N 432.310 6.339 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 33582216 SCHMHFQHGBGZIJ-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB CSCC[C@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 33916946 PNHJBKYKRCQHBJ-WIJSZAOYSA-N 441.600 5.708 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cc(Cl)ccc1Cl 34933486 LGRZMFTVFLZNCF-UHFFFAOYSA-N 445.689 5.700 0 40 IKAB COc1ccc(-c2n[nH]c3ccc(Nc4nc(C(F)(F)F)nc5ccccc45)cc23)cc1 41181218 OJCPFCVCXDDCDS-UHFFFAOYSA-N 435.409 5.944 0 40 IKAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 57315441 KBRPTYTZAYLFQF-OAHLLOKOSA-N 425.891 5.021 0 40 IKAB Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(C)c1I 57315725 HAQAWVUBRZHMCH-UHFFFAOYSA-N 431.726 5.292 0 40 IKAB O=c1c2ccccc2c(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)nn1-c1ccccc1 64949577 SCQBDZGMKJXDIY-UHFFFAOYSA-N 434.377 5.122 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4F)nccn3n2)cc1C 67289843 NSKQSZPSEZWZAS-UHFFFAOYSA-N 440.931 5.536 0 40 IKAB CCCC1CCC([C@H](C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 71260643 QGVZRMLLKPOPCV-MWXLCCTBSA-N 426.601 5.344 0 40 IKAB COc1ccc2c(c1)c(C(=O)N1CCC(O)(c3ccc(Cl)cc3)CC1)cn2C(C)C 79481653 SAHYQOXTDXQNBL-UHFFFAOYSA-N 426.944 5.008 0 40 IKAB C[C@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(=O)O 83263740 XECNEFSRQDLYQD-FBFGTNPHSA-N 444.656 6.023 0 40 IKAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)c1 95116086 WYMHSBZRJRGOPS-JOCHJYFZSA-N 435.321 5.449 0 40 IKAB CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccco4)C3=C(O)C2)cc1 103450751 RENLHQBTYTUIPA-UZTOHYMASA-N 427.548 6.755 0 40 IKAB Cc1ccc(-c2c(C)c(-c3ccccc3)c(-c3ccccc3)c(C)c2-c2ccccc2)cc1C 104189127 PLXCPOIEIQTLBP-UHFFFAOYSA-N 438.614 9.588 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750537 JGZUOGKTRUTZFC-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl 222844488 NCRGROVZQKSOGI-MSOLQXFVSA-N 436.939 5.545 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223130457 YGVROSCGLDBGJL-VQTJNVASSA-N 426.576 5.214 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 223595808 GJCWXLLSNWDVGM-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)ccc1Cl 224178678 UVWWMINQFLQJRR-DNQXCXABSA-N 444.991 6.011 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224289605 MAHGKKVSBMLYCW-RBUKOAKNSA-N 444.423 5.700 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 224592290 QWJPIGVDAVDZKL-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)c1 224933910 BHLSATQETHPURZ-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225242375 UFTZZJPTZSRART-UXHICEINSA-N 434.555 5.244 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3c(Cl)cccc3Cl)cc2)n1 225287269 UABHVOFMMARDJF-UHFFFAOYSA-N 448.419 5.518 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225723104 APVBAEVAOASQBZ-VGSWGCGISA-N 449.422 5.566 0 40 IKAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225740462 LMZLFWHURLJUAD-ZDUSSCGKSA-N 438.822 5.230 0 40 IKAB Clc1cc(Br)cc2nc(-c3ccc(I)cc3)[nH]c12 226343037 YHVZMKXLSIYFRJ-UHFFFAOYSA-N 433.474 5.250 0 40 IKAB COc1cccc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c1 257266075 MBLQNFPRPGOJHX-UHFFFAOYSA-N 440.509 6.079 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)on2)cc1 257298016 RJTSNPFUQMKVFK-QFIPXVFZSA-N 447.466 5.045 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408573755 KHUIMLZKVAPSAJ-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@@H]2C1 408685160 QFWJQNJXIYSRGS-DLBZAZTESA-N 429.303 5.091 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(C(C)C)cc2)cc1-c1cccc2ccccc12 408726795 UYPHJYSKDXKKJC-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1Br 408810402 PJXPDXIMBKFIGI-UHFFFAOYSA-N 438.754 5.183 0 40 IKAB Cc1cc(C)cc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 408927243 UOKSHRXMSQYPBO-UHFFFAOYSA-N 428.450 5.893 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409115619 KEUHGIIIAVRUNC-ISAVSCMOSA-N 428.963 6.889 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409364550 XVZDQFDRGOKRCY-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB CCc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)sc1-c1ccccc1 585152220 BJVWIJVREJILBT-UHFFFAOYSA-N 432.614 6.607 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2cccc(C(F)(F)F)c2)Cc2ccccc21 643589165 PCCINTLDDIUTED-UHFFFAOYSA-N 446.513 6.055 0 40 IKAB Brc1ccc(-c2nc3scc(-c4ccc(Br)cc4)n3n2)cc1 632366 MNBSHMWUAZWCTF-UHFFFAOYSA-N 435.144 5.650 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccccc2F)cc1 857940 KPBLPGPRWOPYQG-UHFFFAOYSA-N 448.519 5.121 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NC3CCCCC3)cc2c1 1327174 QXEJRQBDYHSOSP-UHFFFAOYSA-N 431.580 5.178 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1OC 1413218 CCKITGSXEPOASO-RUZDIDTESA-N 425.488 5.152 0 40 IKAB S=C(NNc1ccccc1Oc1ccccc1)NNc1ccccc1Oc1ccccc1 1653873 MPENNSUECLPXKK-UHFFFAOYSA-N 442.544 6.089 0 40 IKAB Cc1ccc([C@]2(c3ccccc3)C=C(c3ccccc3)N=C2c2nccc3ccccc23)cc1 1705902 CPIAORIJNHBYST-JGCGQSQUSA-N 436.558 7.373 0 40 IKAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 1770156 VWOKMIFZRJMFIH-ZDUSSCGKSA-N 447.281 5.068 0 40 IKAB Cc1scc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC(C)C)c1C 2108721 HEEYLBVIVNKHDP-UHFFFAOYSA-N 433.982 6.564 0 40 IKAB O=C(NC1CCCCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2131030 ARKOISPBGUATRC-UHFFFAOYSA-N 441.531 5.955 0 40 IKAB biogenic Cc1cc(C)c2oc(C(=O)Nc3nnc(SC/C=C/c4ccccc4)s3)cc(=O)c2c1 2364390 QIXYWINPLGACSR-RMKNXTFCSA-N 449.557 5.319 0 40 IKAB CC(C)(Nc1ccccc1)c1nnnn1[C@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C 2461716 GRCZQAAWAHSMGU-CMQXMCPJSA-N 444.410 6.628 0 40 IKAB Cc1noc(C)c1CSC1=N/C(=C/c2ccco2)C(=O)N1c1ccc(OC(F)F)cc1 2661648 VKFXZHSDNAFIND-VCHYOVAHSA-N 445.447 5.163 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 3244933 ZQEXXYVABMEYJO-UHFFFAOYSA-N 446.963 5.898 0 40 IKAB CCN(c1ccc(NC(=O)COc2ccc3cc(Br)ccc3c2)cc1)C(C)C 3302420 RTGLCYMKRAIYJA-UHFFFAOYSA-N 441.369 5.855 0 40 IKAB O=C(CSc1cn(Cc2ccc(Cl)cc2)c2ccccc12)N1CCCc2ccccc21 3581832 LNEOKFWAZWSIBN-UHFFFAOYSA-N 447.003 6.415 0 40 IKAB Cc1cc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)ccc1Cl 3655509 HUMJOBDVUDNTNT-UHFFFAOYSA-N 437.854 5.782 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)c(Cl)c2)cc1 6142857 KSITXNTUVNKXOV-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB O=C(Nc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1)OCc1ccccc1 8716941 FEIWLLRHELBTOD-UHFFFAOYSA-N 446.863 5.505 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 8755239 FVPSYZYUGNWPDO-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB Cc1cccc(Cn2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c3sc4ccccc4c32)c1 8756933 FFGDXIFQLZLZDZ-UHFFFAOYSA-N 430.504 5.171 0 40 IKAB CN(Cc1ccccc1)C(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 8781787 CMROJFRWCUFMOK-NTEUORMPSA-N 426.343 6.244 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1cccc(Cl)c1 8810217 NOFYTNVTFCVHCV-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C/c1ccco1 8965457 WFUFXXFHWFGPEC-PEZBUJJGSA-N 438.508 6.449 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 8995601 HQQTZUXFDOUEBA-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)c(C)c1 9118407 XRJKFLQSMAVPQK-UHFFFAOYSA-N 449.620 5.392 0 40 IKAB C(=C/c1ccccc1)\CN1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 9158927 NTVGQKFJFIZTBB-FMIVXFBMSA-N 446.554 5.878 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 9159815 VNFHOPWPXIYAFS-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)COc2ccc3ccccc3c2Br)cc1 9230414 HEUOANQDAOOJNE-UHFFFAOYSA-N 441.325 5.214 0 40 IKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1c(F)cccc1Cl 9233098 XBIKLNPSQRYPCL-VIZOYTHASA-N 442.693 5.184 0 40 IKAB CCOc1ccc(-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)cc1 9244643 ZWKGLCNIIZWMFI-UHFFFAOYSA-N 431.517 5.533 0 40 IKAB CC(C)CC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 9288874 QGKPZOFWTLNEAU-UHFFFAOYSA-N 441.535 5.218 0 40 IKAB CCc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 9561440 OISRNBLBRHTQBN-OAQYLSRUSA-N 425.866 6.432 0 40 IKAB CCCCc1ccc(NC(=O)c2cn(CCC)cc3c(=O)n(-c4ccccc4)nc2-3)cc1 9661522 SCRICWORVJNOQH-UHFFFAOYSA-N 428.536 5.144 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 9794110 BZKDEGUIMZYXIE-INIZCTEOSA-N 442.544 5.375 0 40 IKAB CS(=O)(=O)c1ccc(CC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 10252627 HFPULYLYRBZGTE-UHFFFAOYSA-N 448.569 5.062 0 40 IKAB Cc1noc(-c2ccc(OCc3ccc(Br)cc3)cc2O)c1-c1ccccc1 11866319 VLBQHVGLWRNJFE-UHFFFAOYSA-N 436.305 6.364 0 40 IKAB biogenic COc1ccccc1-c1cc(C(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)no1 12185273 KNZJNPHTZXERJK-LJQANCHMSA-N 449.532 5.824 0 40 IKAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(Cc2ccc(Cl)c(Cl)c2)c1C 12372592 XCQONGMZFUUIHF-UHFFFAOYSA-N 427.328 5.014 0 40 IKAB Fc1ccc(C2=NN(c3ccccc3Cl)[C@@H](c3ccc(Br)cc3)C2)cc1 12375629 MGDYTDQCMMETGG-OAQYLSRUSA-N 429.720 6.597 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 12376953 HBNGCVPXPQEREJ-UHFFFAOYSA-N 440.469 5.114 0 40 IKAB CC(C)(C)[C@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 12652819 IAWYOBZMTBVBTD-IRVMHKCDSA-N 434.561 5.088 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 12779504 ZIEWGCRESHUQJP-HTAPYJJXSA-N 447.604 5.186 0 40 IKAB O=C(NC1CCCCCCC1)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12779542 OKEHXKHMRLVAEX-UHFFFAOYSA-N 434.384 5.148 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12801685 IZNLVLVJQHHJNI-HXUWFJFHSA-N 438.524 5.172 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc(Br)c1OC 12901488 GJPPKAYCHMYAIM-UHFFFAOYSA-N 433.327 5.232 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 12914803 ZRGAZRGKJZFMRW-UHFFFAOYSA-N 431.319 5.527 0 40 IKAB CCOc1cc(/C=C/C(=O)c2ccc(O)c(CCCl)c2)cc(Br)c1OC 12977434 WWJSRCWJIFWNIZ-GQCTYLIASA-N 439.733 5.239 0 40 IKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)NCc3cccs3)c2c1C 13499951 KWCDVZZNOLSEPM-UHFFFAOYSA-N 431.652 5.826 0 40 IKAB CCc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccccc3C)cc2c1 13562048 CVZMSDCCGQUHMB-UHFFFAOYSA-N 442.990 6.910 0 40 IKAB O=C(C[C@H](NC(=S)N1CCC(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 13778890 PTCKNKVOIGMCPU-SANMLTNESA-N 442.628 5.830 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1C 14153458 OKJJMPQDWHBMNV-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(CC)ccc4o3)ccc2C)cc1 14269868 VXIWBYJBKSZCHL-UHFFFAOYSA-N 443.572 6.055 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CSc2ccccc2)cc1 14412914 KCHMPLPRMFFJAY-UHFFFAOYSA-N 445.971 7.677 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 15413074 RWIWMDCUMXKKKF-SANMLTNESA-N 428.532 5.248 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc(NCc4ccccc4)s3)c2cc1C(C)C 16046985 TUIBHWLRGZDIGQ-UHFFFAOYSA-N 437.590 5.981 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)c(C)c1 16768804 JSZATYDMGAZMJN-UHFFFAOYSA-N 448.979 5.979 0 40 IKAB CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1OC 17094529 HVQQJFCRVZBOCU-UHFFFAOYSA-N 425.554 5.630 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4cccc5ccccc45)c3)nc2c1 17100263 SWMVLWZEQGJCLT-UHFFFAOYSA-N 436.511 6.536 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)c1 17102796 CTWGJPFUUXUFDZ-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4sc(-c5ccccc5)c(C)c4c3=O)c2cc1C 17130487 PDGRWVFZQBVXFS-UHFFFAOYSA-N 428.513 5.205 0 40 IKAB CC1=C(C)[C@]2(C)c3c(C)c(Br)c(Br)c(C)c3[C@@]1(C)N2N(C)C 19168537 NKQYMWGQJGHCQC-HDICACEKSA-N 428.212 5.401 0 40 IKAB CCCCCCOc1ccc(C2C(C(=O)OCC)=C(C)NC(C)=C2C(=O)OCC)cc1 19594023 KAEFPPPJOLMMRZ-UHFFFAOYSA-N 429.557 5.007 0 40 IKAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2Cc2ccc(C)c(C)c2)nc1C 19755655 YFEUEYRAMGSYAF-DEOSSOPVSA-N 444.579 5.390 0 40 IKAB COc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1-c1ccc(CO)o1 20144974 LPISZKKKJSCPJL-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Br)c4ncn3n2)cc1 21801656 GMRUJTDJOJPUBX-UHFFFAOYSA-N 448.324 5.123 0 40 IKAB CN(Cc1ccccc1NC(=O)c1ccccc1I)C1CCCCC1 23352502 VJCDGYJZFXKYRT-UHFFFAOYSA-N 448.348 5.308 0 40 IKAB Cc1[nH]c2ccc(Br)cc2c1CC(=O)Nc1cccc(CN2CCCC2)c1 25854842 SPFQDMKQNCCLCR-UHFFFAOYSA-N 426.358 5.016 0 40 IKAB Cc1ccc2c(C)c(C(=O)Nc3sc4c(c3C(=O)NCc3cccnc3)CCC4)oc2c1 27793989 SAMPFIMOKKNDTP-UHFFFAOYSA-N 445.544 5.177 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 30863666 KQBTYMCZSPKVMY-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOc1ccc(C(=O)CCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)cc1 32900617 VCHZRGYLNYUBNZ-UHFFFAOYSA-N 431.492 5.331 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 38754699 HXTBEXBISSGHMG-GDLZYMKVSA-N 432.567 6.077 0 40 IKAB C[C@H](Nc1ccc(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1)c1ccccc1 40158546 KDRUOAOPRILAID-INIZCTEOSA-N 438.453 5.867 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCC(=O)NC(C)C)cc1 44086654 HOXQLCKDEUCFTH-UHFFFAOYSA-N 444.398 5.227 0 40 IKAB COC(=O)c1c(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)sc2c1CCCC2 44885527 MYOSDYURUQUKRC-UHFFFAOYSA-N 443.546 5.007 0 40 IKAB COc1ccc(F)c(CN2[C@H]3CC[C@@H]2Cc2c3cnc3cc(-c4cccc(C)c4)nn23)c1 57761860 YZKYGPBGTGLNCH-DVECYGJZSA-N 428.511 5.114 0 40 IKAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 67295523 HGESBVQWTIQETG-MEFGMAGPSA-N 428.366 5.087 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCSCC1 72328509 KQBUQIJWWQUOCV-UHFFFAOYSA-N 449.473 5.194 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101813759 QWBJWPYDUYLGEE-HOTGVXAUSA-N 441.305 5.404 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 102134264 FDBXCQIAUYDMBI-WRTSTBPXSA-N 430.481 5.487 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1 102475954 ZFZYIBJMDUUYFX-QUGAMOGWSA-N 430.935 6.978 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2)s1 102731930 NMKODZJMXPJNKU-RXVVDRJESA-N 425.351 6.061 0 40 IKAB Cc1cc(C)cc(NC2=C[C@@H](c3cccc(Br)c3)N(c3cc(C)cc(C)c3)C2)c1 103753497 BRRJVECBSVTZOY-SANMLTNESA-N 447.420 7.240 0 40 IKAB Cc1ccc(NC2=C[C@H](c3ccc(F)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 103764481 NZTAJQITXZDQBZ-HSZRJFAPSA-N 441.333 6.833 0 40 IKAB CCSC[C@@H]1CCCN1C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 206792633 XPILJYWQYIYPSA-DEOSSOPVSA-N 437.653 5.168 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc(C)c1Br 218834854 NKIZZIPMQFPXLT-UHFFFAOYSA-N 440.337 5.662 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222508325 WHWSAPTVNUMEFO-NRFANRHFSA-N 433.017 5.154 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 222841139 BOSCVILNYMRCJQ-RUZDIDTESA-N 438.612 5.083 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)c1 223788580 XDFYWZBZXITSOY-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181608 WNFZSIHVJKWWOU-PKTZIBPZSA-N 441.512 5.217 0 40 IKAB CN(c1cccc(C(=O)Nc2cccc(Cl)c2)c1)S(=O)(=O)c1ccc(Cl)cc1 224267894 QSAUKAQUVUVNHQ-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224415682 SMDDAGMZLSGUFA-SFHVURJKSA-N 449.422 5.342 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COCc1ccccc1 224461540 GKHSEHQCDZOQQG-UHFFFAOYSA-N 449.856 6.337 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(Cl)c(C)c1 224544515 BIDMFLVJGHGSMN-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224583157 BQEHDEACYMZREV-NRFANRHFSA-N 449.422 5.648 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224657252 BWUPMLVDKAHSRI-XMMPIXPASA-N 440.653 5.198 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926184 IXCIJYIXCWXSLV-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032939 LTAVHVNFONNGNO-XZOQPEGZSA-N 447.560 5.043 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)cc1 225512156 DZESXOIHRMJKAA-RUZDIDTESA-N 429.589 5.506 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225528045 TVWPKEBYEMCUSL-XMSQKQJNSA-N 447.044 5.463 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)Cc3ccccc3C2)c2ccccc12 225934320 IUCQSWPDMLKKPE-UHFFFAOYSA-N 441.958 6.567 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@H]3CC[C@@H]([C@H](C)CCCC(C)C)[C@]3(C)CC[C@H]12 253612450 QGGRDHGCNNAWIE-WTKNNHRGSA-N 444.700 7.218 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 408609971 PSRVKQZDDWUCKY-UHFFFAOYSA-N 449.309 5.771 0 40 IKAB CCCc1nc(S/C(=C\c2c(C)n(Cc3ccccc3)c3ccccc23)C(=O)O)n[nH]1 408631142 FFOMYHCRESNLIF-STZFKDTASA-N 432.549 5.286 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409044872 CZFFPFGLVKMKML-CDORBJOZSA-N 449.525 5.866 0 40 IKAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1 409104053 IHVKUGUZFQVGCB-KGENOOAVSA-N 448.500 5.020 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2ccccc21 409117529 OHJFXFVQRTZSOV-LGMDPLHJSA-N 431.841 6.916 0 40 IKAB O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409173089 JFOGGTGMQDACMZ-LICLKQGHSA-N 433.678 6.004 0 40 IKAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1)c1cccs1 409181667 DOFLXDFUMYQGEP-UHFFFAOYSA-N 426.493 5.686 0 40 IKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1c(F)cccc1Cl 409195931 SUYZBKQAWJQTGS-UHFFFAOYSA-N 441.955 5.801 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl 409370122 LLGGBFJJMPWLLV-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 643980 FBBXKAZTMCGTIE-MRXNPFEDSA-N 436.577 6.305 0 40 IKAB O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 645657 RKKRYAUOCAENCI-UHFFFAOYSA-N 437.542 5.409 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 875487 CYTKEGOFQJGVJN-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCc3ccccc3)cc2c1 884451 YWXRRQLBCWIDGM-UHFFFAOYSA-N 447.629 5.229 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccccc3)cc12 884612 HIBZIZQBJJVALO-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccccc4Cl)coc3c2)cc1 957167 ITCOBADZJJNWTO-UHFFFAOYSA-N 436.847 5.604 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)cc1C 1262718 NMOBYOFJYIHCQQ-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCc1cc([C@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298728 YOQZFWFHSBYJER-QFIPXVFZSA-N 440.996 5.638 0 40 IKAB Cc1ccc(S(=O)(=O)[C@]2(Sc3ccccc3)S[C@@H]2C(=O)c2ccccc2)cc1 1570682 NKNCSWBBCULUOZ-FGZHOGPDSA-N 426.584 5.213 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@H](C)C2 1807805 NCHGDZJZOYOWBB-INIZCTEOSA-N 443.609 5.673 0 40 IKAB CCC[C@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2216040 WFKNMPYLAFGKJA-JTQLQIEISA-N 440.421 6.114 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1 2342106 WMLUXBBPLCISSP-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB c1ccc(CSc2nc3c(c(N4CCOCC4)n2)C2(CCCC2)Cc2ccccc2-3)cc1 2404497 BMYWYLORBBAEQW-UHFFFAOYSA-N 443.616 5.640 0 40 IKAB biogenic c1ccc(Nc2ccc(/N=c3\cc(-c4ccc5c(c4)OCO5)oc4ccccc34)cc2)cc1 2417583 FIWROMBDCOMQEG-BGABXYSRSA-N 432.479 6.805 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3cc(C)c(C)cc3C)nnc2-c2cccs2)cc1 3364608 WMIPCZGQBATSCA-UHFFFAOYSA-N 449.601 5.905 0 40 IKAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 4812039 UPJNKWWSUFGQSG-RUZDIDTESA-N 425.532 5.444 0 40 IKAB CCCCCCc1ccc(NC(=S)N[C@H](NC(=O)OC)C(Cl)(Cl)Cl)cc1 6077878 FGELJTGCOGMKPW-CQSZACIVSA-N 440.824 5.148 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CC[C@@H](C)C2 6159068 VXKGDTCHBXUYQU-CQSZACIVSA-N 440.590 5.329 0 40 IKAB O=C1C2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@H]2c1ccccc1 8034756 ITTQAMYBEGYMAS-CSXACLAXSA-N 444.578 5.960 0 40 IKAB in-vitro Cc1ccccc1Cc1nnc2sc([C@@H](C)c3ccc(-c4ccccc4)c(F)c3)nn12 8398758 VHOXSCNXIVNOHB-KRWDZBQOSA-N 428.536 6.043 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c(C)c1 8445960 JOYMSFCKRGAVJR-UHFFFAOYSA-N 445.563 6.400 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccccc1Cl 8788507 GAEYBCFTAPMQGK-UHFFFAOYSA-N 446.384 6.396 0 40 IKAB CCc1noc(C)c1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 9442414 ORFLIPVTQILENX-UHFFFAOYSA-N 430.913 5.146 0 40 IKAB CCC(=O)Nc1ccc(C(=O)c2sc(-c3c(C)nc4ccccn34)nc2C2CC2)cc1 9508486 RWQORUZKXOPOHP-UHFFFAOYSA-N 430.533 5.223 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3)c3ccccc3n2)cc1CSc1ncccn1 9539794 JABXAQSBQXAMFX-UHFFFAOYSA-N 435.552 6.660 0 40 IKAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2)c1 9582275 XOASFWDOPZSFIM-UHFFFAOYSA-N 427.744 5.471 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 9633095 KISLSAVBBYYPLC-UHFFFAOYSA-N 444.604 5.266 0 40 IKAB Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccccc2F)n1-c1ccccc1 9668980 NJNDBZJODYLPFN-GOSISDBHSA-N 446.551 5.498 0 40 IKAB Cc1ccc(/C=C(\C(=O)N(CCc2ccccc2)Cc2ccccc2)n2ccccc2=O)cc1 9762982 IAFGFFGWMCDOMY-XAYXJRQQSA-N 448.566 5.426 0 40 IKAB Cc1cccc(NC(=O)CN(c2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 9908163 KQXDTUUFIUOFTJ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1cccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc12 10254386 KUEIZKAEDJCGBI-UHFFFAOYSA-N 449.601 5.588 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 12210646 BEQQZVPGWVHUGS-UHFFFAOYSA-N 425.362 5.856 0 40 IKAB CC[C@H](C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1)c1ccccc1 12418886 LFGCNBYESLAGSP-QHCPKHFHSA-N 436.559 5.139 0 40 IKAB Cc1[nH]c2ccc(-c3nnc(SCC(=O)N(Cc4ccccc4)C(C)(C)C)o3)cc2c1C 12468079 RPZSUSGYDHFQOO-UHFFFAOYSA-N 448.592 5.754 0 40 IKAB CCOc1ccc(-n2c(S[C@@H](C)C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 12542170 YNDYUKFUZSEFRK-IBGZPJMESA-N 449.620 5.912 0 40 IKAB Cc1nc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)sc1-c1nccn1C 12544511 VKYNZNWPWFVFCZ-UHFFFAOYSA-N 438.940 5.337 0 40 IKAB CCOc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 12588474 NYXYORDOYYMGDT-LBPRGKRZSA-N 430.854 5.595 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@@H](c1ccc(Cl)cc1)C(C)C 12686425 AIJWWTCXZQUQBD-JOCHJYFZSA-N 449.016 5.201 0 40 IKAB COC(=O)c1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 12788461 VDOAPLOVJBJGEV-QHCPKHFHSA-N 438.487 5.109 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NC3CCCCCC3)c2c1 13084505 SEKCMCYEEFXLSK-UHFFFAOYSA-N 437.584 5.929 0 40 IKAB Cc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 13591747 IGLAXMPPOQFMPU-FYYLOGMGSA-N 443.761 7.198 0 40 IKAB C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 13648600 DPGZFXNIHFLPGK-SFHVURJKSA-N 438.036 7.421 0 40 IKAB O=c1c2c3c(sc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)cc1)CCC3 13688529 QOTRVCHPUPYHOQ-UHFFFAOYSA-N 443.355 5.058 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3)oc2c1 14272243 KNFHVXWQIKVRTQ-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14412294 ODVORJXYOOPEFA-NRFANRHFSA-N 447.343 5.613 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c(C)c1 14833501 QUWHHDPLTUIAOM-MKMNVTDBSA-N 440.952 5.410 0 40 IKAB COc1cccc(CN2C(=O)N(c3ccc(C(C)C)cc3)S(=O)(=O)c3ccccc32)c1 15827268 RWUCWVBJXZOTIK-UHFFFAOYSA-N 436.533 5.154 0 40 IKAB FC(F)(F)c1nc(-c2cc(Cl)cc(Cl)c2)ncc1-c1nnnn1-c1ccccc1 16523894 LGMDWIUVOYQXDV-UHFFFAOYSA-N 437.212 5.112 0 40 IKAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)cc1 16840788 MDUIRKSMWKEYKS-UHFFFAOYSA-N 439.924 5.767 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c(F)c1F 17097880 SGMRNIKRWRSZCY-UHFFFAOYSA-N 432.398 5.781 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C(C)C)o2)cc1Cl 17102980 VXEUWRPLKYTIMC-ACCUITESSA-N 438.980 6.558 0 40 IKAB CCOc1cc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC 19531936 FCYVUYCHUCSCRH-UHFFFAOYSA-N 431.483 5.256 0 40 IKAB Cc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1NC(=O)c1cc2ccccc2o1 19860424 LKTQEZCAZDREOQ-UHFFFAOYSA-N 439.298 6.553 0 40 IKAB O=c1ccccc2c(/C=C/c3cccc(C(F)(F)F)c3)nn(-c3cccc(Cl)c3)c12 19909735 MRJFDGJZPGCZKQ-VAWYXSNFSA-N 426.825 6.228 0 40 IKAB Cc1cccc(-c2nnc(CSc3nnc(-c4ccc(Br)cc4)o3)o2)c1 19927959 PCZIPJKOJUYXOC-UHFFFAOYSA-N 429.299 5.150 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 20611994 FEOHJCMWBAHFON-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)cc1 20970265 HDEVBYKWDVHYND-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)c1 21579343 UJPBRSWLMDTGPB-UHFFFAOYSA-N 444.874 6.669 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccccc1Cl 21580072 BBGFGKHNVGRGPB-UHFFFAOYSA-N 436.924 5.019 0 40 IKAB COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1cccnc1 22107443 IYBHGHBSZFABEX-UHFFFAOYSA-N 427.342 5.030 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24831070 DRZMQXUMFKIBRS-QFIPXVFZSA-N 436.895 5.502 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1Cl 32127670 KKVSKDBCYFTFIP-UHFFFAOYSA-N 448.335 5.037 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(F)ccc2Br)c1 32891686 KYJYKOJAPBJNKS-UHFFFAOYSA-N 428.261 5.485 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)c1 59179544 UYSVGBFEOJIKEG-UHFFFAOYSA-N 447.560 5.964 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)cc1OC 61237198 AENFUDCRFQVADW-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5C)n4ccn3n2)cc1 67260666 RFUNADFBGULISK-UHFFFAOYSA-N 443.576 5.824 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5c(C)noc5C)n4ccn3n2)cc1 67260703 XKFKATDTXZVORP-UHFFFAOYSA-N 448.552 5.120 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)c(C)c3)oc12 67295990 CDSXAANTWUVNKG-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB CCCC1CCC([C@@H](C)NC(=O)CCCCCCN2C(=O)c3ccccc3C2=O)CC1 71260642 QGVZRMLLKPOPCV-QNGMFEMESA-N 426.601 5.344 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(Oc3ccccc3)c2)c2ccccc2)cc1Cl 72235954 ZWLVBIWPAJOYRK-SANMLTNESA-N 442.946 7.233 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)N3CCC(Cc4ccccc4)CC3)sc3ccccc23)C1 72352640 YHPSGFYOQODNFQ-QFIPXVFZSA-N 446.616 5.332 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3cc(Nc4nc(C)cs4)cc(C)n3)cc12 72372590 MPUPWUSKLTZTAJ-NRFANRHFSA-N 447.564 5.366 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 95482122 CNNINPAHSFGGBB-XAYXJRQQSA-N 443.499 6.085 0 40 IKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 100187121 GHVOMBLDMXBYRR-CDORBJOZSA-N 445.518 5.313 0 40 IKAB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102726599 YZORGGDPVBBSOO-WXFUMESZSA-N 446.934 5.262 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 113963235 DYDAAKXZBGGQJT-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB COC(=O)[C@@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118075403 LYUKJPSMOGBDCO-GHMZBOCLSA-N 447.698 5.311 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 222685705 QSBNSNDFVLYYSX-UHFFFAOYSA-N 448.868 6.569 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222976413 AMOUZCDJFXAPLW-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222983776 YHCRAIZLGFWRHQ-LEWJYISDSA-N 446.403 6.421 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 223211916 PEAUKZYDKKIILK-XMMPIXPASA-N 446.591 5.249 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223916165 SCJDEJDWEPMFAU-JWQCQUIFSA-N 439.588 5.115 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 224113341 HGNMMHDWAXGFQC-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224172180 NUMAEDWVJYBIPA-UHFFFAOYSA-N 447.531 5.611 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1C 224276195 MHIBPIVBZXPPMU-DQEYMECFSA-N 442.563 5.805 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 224307432 ARQFDKGQTFMNCS-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 224615559 JOPLIUQKVKFZBX-GOTSBHOMSA-N 445.569 5.709 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1CSc1ccc(Cl)cc1 224672088 UQTHODUYOBWHSD-UHFFFAOYSA-N 425.981 6.846 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1 224692860 UYFCJPPYBLJIMA-IBGZPJMESA-N 426.988 5.057 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)ccc1Br 224918187 JOVROTAAZXLZKC-QZTJIDSGSA-N 444.423 5.700 0 40 IKAB O=C(O)[C@@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225133916 NNZHUEQHTGNZQT-AREMUKBSSA-N 444.914 6.874 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225193580 JISNOACDYOZCNN-UXHICEINSA-N 445.003 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 225612357 SRCURNGNARYWMC-UGKGYDQZSA-N 445.003 5.058 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225640787 OHYZBXOCPMGJQR-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]54C)[C@@H]2[C@H]1OC3 248328625 BZNIIOGSANMIET-ISRFQMNYSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 257205661 BABFPQNPFZJNBY-UHFFFAOYSA-N 430.479 5.892 0 40 IKAB O=C(O)c1sc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257296240 RBWDUYYAOWVCHP-NRFANRHFSA-N 440.996 6.007 0 40 IKAB COc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408571234 AMRNANDWHGHQDX-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 408599746 KADHIWDUSCXNFB-DNTJNYDQSA-N 445.924 5.340 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 408605888 HCEFQGDRAVPARS-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1C 408642066 NPEYABCQJVMMRQ-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693689 BXBHVGQYPGGVRC-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)c1 408699898 WVHZAHQGMTZLOW-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409016926 UITLHNPUYOHFPU-RVZJCZPVSA-N 445.968 6.071 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409112971 MVFNXUFSZKXVAI-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 409182990 QNCUNLWARPKKQG-MHZLTWQESA-N 438.958 7.014 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]21)c1ccccc1 409369497 PDEBELLZCKZYDC-NBJYBMASSA-N 443.852 5.754 0 40 IKAB O=C(Cc1cccc2ccccc12)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 1565522920 BQAYSKHCTNKPSY-UHFFFAOYSA-N 446.566 5.056 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778409 FNLKPTNCMKIVOW-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc(Cl)c1 873530 SUUYJABCNOADJI-SNVBAGLBSA-N 438.734 5.272 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)cc12 878670 JBCMIDWIYOYYOH-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 1371193 KAEWNFJLXGRMRV-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB O=c1c(Oc2ccccc2Cl)coc2cc(OCc3ccc(Cl)cc3Cl)ccc12 1775164 XRAMQISUHKYKTC-UHFFFAOYSA-N 447.701 7.125 0 40 IKAB CC(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1916469 NTQLSMAXGLXPSY-UHFFFAOYSA-N 428.557 6.618 0 40 IKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 2307287 ZVIOTJWWILRXAX-QUCCMNQESA-N 428.458 5.667 0 40 IKAB CC[C@H](C)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 2388093 WZYIZVNEHGVWOK-KRWDZBQOSA-N 442.563 6.159 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(/C=C(\C#N)C(=O)Nc3cccc4ncccc34)c2)cc1 2632860 UVXABUHGIIHRSM-RCCKNPSSSA-N 432.483 5.341 0 40 IKAB C[C@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2635777 SBTGJXYSPFCIJN-SFHVURJKSA-N 441.449 5.480 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1C(F)(F)F 3289716 ANENGWQEGGQNNW-UHFFFAOYSA-N 429.423 5.395 0 40 IKAB Cc1noc(C)c1COC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3296304 TYQIQLPJXXRSNR-UHFFFAOYSA-N 437.293 5.626 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3370827 XRLIBTZJVQHZSJ-UHFFFAOYSA-N 445.522 5.288 0 40 IKAB Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1 3413301 MZEPDKBDMWFNHX-UHFFFAOYSA-N 441.603 5.698 0 40 IKAB aggregator COc1ccc([C@H]2SC(=S)N(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 5048774 XCLDEEZHMHGTLE-HXUWFJFHSA-N 447.412 6.961 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc(Cl)c1O 8846834 CLVBXYOTCBCESM-AREMUKBSSA-N 443.930 6.487 0 40 IKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)cc(=O)c2c1 8869207 PRZDRXKINCOFMN-UHFFFAOYSA-N 441.414 5.470 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)/C=C/c1ccc(C(F)(F)F)cc1 8883947 GSBUOUUXYQLZQP-FMIVXFBMSA-N 449.860 5.861 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2Oc2ccccc21 9134604 CKOPONPKSDMRPT-UHFFFAOYSA-N 426.394 5.730 0 40 IKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 9210988 NTJCMJONYRNSTD-JOCHJYFZSA-N 430.891 5.516 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(C(F)(F)F)c1)c1cccs1 9216103 KVVZAZNLGCCLMD-UHFFFAOYSA-N 431.460 6.261 0 40 IKAB O=C(CN1C(=O)C[C@@H](c2ccccc2)Sc2ccccc21)Nc1cccc2ccccc12 9345501 CFDHLIZVZPJNNO-VWLOTQADSA-N 438.552 6.049 0 40 IKAB COc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1Cl 9606500 MDWPBAHMIJAJSL-FQEVSTJZSA-N 444.293 6.393 0 40 IKAB O=C(c1cncn1-c1ccccc1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 9640725 JATLFVAZJFUDBD-JXMROGBWSA-N 437.499 5.004 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc3ccc(O)cc3o/c2=N\Nc2ccc(Cl)cc2)c1 9762481 MMCIQMNFNXPZOA-COOPMVRXSA-N 433.895 5.589 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9831937 JEXWUPRHQKQWQP-UHFFFAOYSA-N 429.549 5.356 0 40 IKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)CCc1ccco1 10024243 KPWSGOCRNKOZDD-UHFFFAOYSA-N 433.939 5.436 0 40 IKAB Cc1nc(-c2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)cs1 10024661 JPDHPYUXIDBCKT-UHFFFAOYSA-N 437.590 5.085 0 40 IKAB O=C(c1cc2cccnc2n(Cc2ccccc2)c1=O)N(Cc1ccccc1)c1ccccc1 10188108 SSHKVGXHXGTCPS-UHFFFAOYSA-N 445.522 5.292 0 40 IKAB COc1cc(-c2c(NC(=O)C3CCCCC3)oc3ccccc3c2=O)cc(OC)c1OC 10232988 STVDLLQDPDXHDJ-UHFFFAOYSA-N 437.492 5.005 0 40 IKAB biogenic COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O 11866712 PPGCDVULYQVAPL-UHFFFAOYSA-N 428.912 5.347 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4ccccc4Cl)n3)ccc21 12220060 SBIVSBXQGXNXAH-UHFFFAOYSA-N 439.968 5.651 0 40 IKAB CCOC(=O)c1c(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)sc(C)c1C 12274581 GHJMYKXGRIGEGL-UHFFFAOYSA-N 448.338 5.232 0 40 IKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)CCc4cc(Cl)no4)ccc3o2)cc1 12389592 SNJWWGVRHLKPRO-UHFFFAOYSA-N 436.895 5.796 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 12447117 PULGFEKFXJHJFM-SANMLTNESA-N 430.573 5.372 0 40 IKAB Cc1ccc(-c2csc(N3CCN(C(=O)c4cccc(C(F)(F)F)c4)CC3)n2)cc1 12462024 HGWNILLAVYORTO-UHFFFAOYSA-N 431.483 5.100 0 40 IKAB O=C(/C(=C\c1ccccc1)n1ccccc1=O)N(CCc1ccccc1)Cc1ccccc1 12629160 ZUZQKSAJRTZYGI-HPNDGRJYSA-N 434.539 5.118 0 40 IKAB O=C(Nc1ccccc1)C1CCN(C(=O)CCCSc2nc3ccccc3s2)CC1 12685663 QSTRKKGWGRFHHO-UHFFFAOYSA-N 439.606 5.046 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 12770561 CZIRFIULJVMYDP-HXUWFJFHSA-N 440.286 5.802 0 40 IKAB CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(C)cc1 13026910 ALODGCMYCQPXNX-RUZDIDTESA-N 444.531 5.238 0 40 IKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1=S 13071946 FBIFKKWAHREGAA-FQEVSTJZSA-N 446.979 5.142 0 40 IKAB CCOc1ccc(C(=O)N(c2nc(-c3ccc(C)cc3)cs2)c2ccccc2OC)cc1 13129397 UUSLBHOPRORCRJ-UHFFFAOYSA-N 444.556 6.504 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)Cc1cccs1 13498337 TVKQQZLETSKJFV-AREMUKBSSA-N 446.616 5.162 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628704 BYYMNIHUBHIPJL-UHFFFAOYSA-N 445.588 5.672 0 40 IKAB CCn1ncc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3c(C)nn4C(C)C)n2)c1C 13961285 WOOIZBYQOZOVDM-UHFFFAOYSA-N 449.584 5.099 0 40 IKAB CCn1c(-c2ccc(C)cc2)cs/c1=N\c1ccc(-c2nnc3n2CCCCC3)cc1 15304080 CDBJSKMOPPQZFA-QPLCGJKRSA-N 429.593 5.762 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-n2cccc2)c1C 15881929 HUTKMIBTNUPABO-UHFFFAOYSA-N 437.956 5.059 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCC2 16385977 LRSOSCJHFZXENN-UHFFFAOYSA-N 435.332 5.545 0 40 IKAB CC1=C[C@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 16607255 SFPYDOIXKBOBNZ-ZMUKGBGYSA-N 443.543 5.043 0 40 IKAB Cc1cc(Oc2ccccc2)nc(SCCOc2c(Cl)cc(Cl)cc2Cl)n1 16887164 ZJMIEBVHXKGNGP-UHFFFAOYSA-N 441.767 6.709 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(COc2ccc(Cl)cc2)s1 17044955 MKZITTNPQXCIHC-UHFFFAOYSA-N 429.716 5.721 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 17095997 OUJFCLXOGRWMTI-UHFFFAOYSA-N 428.536 5.487 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)cc1 19220278 IHEYMKVZVAAKMD-QHCPKHFHSA-N 439.559 5.705 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccnn4C(C)C)C3)c(-c3ccncc3)c2c1 19220292 CUOLQHRRQUXEKY-HXUWFJFHSA-N 427.552 5.336 0 40 IKAB Cc1ccccc1-n1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)c1ccccc1 22409592 STUSFWOHONRRHS-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB COc1ccc([C@H]2CCCCCN2Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 23004319 OJOVPCLKDPRTOL-HXUWFJFHSA-N 440.544 5.055 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2sc(C)nc2-c2cc(C)sc2C)c1 25050207 UTVZRKLQVYCPBD-ZDUSSCGKSA-N 430.595 5.234 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)c(C)nn23)cc1 27585009 QXVANAMMQIAAIN-UHFFFAOYSA-N 433.515 6.074 0 40 IKAB O=C(Nc1ncc(Br)s1)c1ccc(COc2cccc(Cl)c2Cl)o1 27984807 KOYHAYVKFGPCCL-UHFFFAOYSA-N 448.125 5.637 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N([C@@H](C)c3ccccc3)C1)oc1ccccc12 32675807 IWWAXVJYFZIMGF-WMZOPIPTSA-N 428.488 5.143 0 40 IKAB COc1cc(OC)c(C2=CCN(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)c(OC)c1 32860129 GJXAQSDTJTYPLF-UHFFFAOYSA-N 437.323 5.340 0 40 IKAB CC(=O)c1cc2c(N)c(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)sc2nc1C 32929468 IATCLHSXXDWXPN-UHFFFAOYSA-N 427.835 5.314 0 40 IKAB COc1cc([C@@H]2N[C@H](C(=O)O)CS2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 33479403 ZIAKTJSAPIEARV-WMLDXEAASA-N 448.755 5.023 0 40 IKAB COc1ccc(-c2nsc3c(S[C@H](C)C(=O)Nc4ccccc4C)ncnc23)cc1 35289460 PRFVQPADOXMCOY-CQSZACIVSA-N 436.562 5.190 0 40 IKAB CC1=C[C@@H](CN(C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442660 ICFYQEPNJRKJPZ-LSQMVHIFSA-N 445.611 5.098 0 40 IKAB biogenic,in-vitro O=C1N/C(=N/c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 35646214 NPPHGVAOLFKTCE-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB CCn1ncc(-c2cc(C(F)(F)F)c3c(C(C)C)nn(-c4ccc(F)cc4)c3n2)c1C 36616998 CKVROIKFTHOPIF-UHFFFAOYSA-N 431.437 5.894 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(F)c4)o3)cc2Cl)CC1 41091646 XVHUQKOVHOOEAJ-UHFFFAOYSA-N 427.907 5.133 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)c(Cl)c1 45992782 WGONJGHSSMIHGG-UHFFFAOYSA-N 449.981 5.663 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 48326722 OORQAYDICWNNGN-HSZRJFAPSA-N 440.528 5.516 0 40 IKAB CC(=O)Nc1cccc(Nc2nnc(S[C@H](C)c3nc(-c4ccccc4)no3)s2)c1 59851454 WLKPZQVLLCSVCI-GFCCVEGCSA-N 438.538 5.143 0 40 IKAB CC(C)c1nc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)no1 59960663 QQAIHALIRRAGLD-UHFFFAOYSA-N 429.908 5.526 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339361 BBNSVHCRMWBIQH-CSKARUKUSA-N 428.282 5.412 0 40 IKAB COc1ccccc1-c1noc([C@H](C)Nc2nc(-c3cccs3)nc3ccccc23)n1 72307645 WTAPHMKKQYEDRF-AWEZNQCLSA-N 429.505 5.590 0 40 IKAB CC(C)(c1ccc(N([O])c2ccc(C(C)(C)C3CCCCC3)cc2)cc1)C1CCCCC1 100709800 QXLADOSXOHULGV-UHFFFAOYSA-N 432.672 8.886 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3)cc2)cc1 138404256 QVJOCAVOWGSSMB-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 205663303 DBAGILUGDHPHRV-PJQLUOCWSA-N 442.707 5.612 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 223138206 MEGIHWGRACYNAO-INIZCTEOSA-N 440.436 6.242 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 223434410 RLMMVUHOORAGGP-HSZRJFAPSA-N 442.575 5.015 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 223808933 TZJGAEPKBYYABK-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1OC 224577508 OHWNYNCRANGWEV-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccccc1 225013578 XPFKQPOUHHWCAT-JWQCQUIFSA-N 430.621 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225312255 ATRFTGCXYZXBBX-DLBZAZTESA-N 435.395 5.176 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 225983921 MWWVFWOKZQQCIJ-UHFFFAOYSA-N 436.577 5.125 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)cc1C 257200109 ACAUCOQODBEYCH-FQEVSTJZSA-N 434.605 5.215 0 40 IKAB Cc1cccc(CN2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 257210094 BTCVWEADEOBJML-JOCHJYFZSA-N 446.570 5.102 0 40 IKAB CC(C)CCC[C@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)OC(C)(C)C)C3 257323602 WLASEWBIHDEWQH-HOKHCIIBSA-N 445.600 5.684 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408647402 VHYPXSLUHZAMQR-PKOBYXMFSA-N 434.923 5.681 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)c(Cl)c2)cc1 408697002 DMVJMTOUOSGDCN-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NC2CCCCC2)o1 409005557 FTPULYVHIXYXRL-NSHDSACASA-N 430.357 5.057 0 40 IKAB CCc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409106464 MGDFQNHNHWDHTL-UHFFFAOYSA-N 434.008 6.875 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409128845 LBFYQDQKMXOQQN-PXLXIMEGSA-N 437.948 6.578 0 40 IKAB COc1ccc(C(=O)Oc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 409349672 RCVGEAGLEOCWQB-QNGOZBTKSA-N 431.469 5.155 0 40 IKAB Cc1ccc(CN2CCC[C@@H]2c2csc(NC(=O)c3cccc(Cl)c3)n2)c(Cl)n1 585295152 NEVRJSAYXKLAMY-GOSISDBHSA-N 447.391 5.743 0 40 IKAB Cc1noc(C)c1-c1ccc2c(c1)Cc1cccc(c1)CN(CCC(C)C)CCOCCO2 643566633 UUQWSOFMTAUQKH-UHFFFAOYSA-N 448.607 5.806 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(Cc3ccccc3F)n2)C1 1848355073 OXUJICXIRIOEFC-HXUWFJFHSA-N 427.523 5.242 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 866505 RQFQCESTUKGTTQ-IUODEOHRSA-N 442.850 5.216 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(OC)cc23)cc1 917206 RWFIYUUHDNFVMO-UHFFFAOYSA-N 445.544 5.435 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccco2)c2nc(-c3ccc(F)cc3)cs2)cc1 932853 RHJUVRJJKGNRNQ-UHFFFAOYSA-N 434.536 6.687 0 40 IKAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942555 UMZJCVKNUAHRMR-ZDUSSCGKSA-N 436.382 5.243 0 40 IKAB Cc1cc(C)c(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)ccc4C)coc3c2)c(C)c1 1774652 ZRHWDYUSWKHMCL-UHFFFAOYSA-N 428.484 6.347 0 40 IKAB O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCC(Cc2ccccc2)CC1 2081349 OOYJCLWFDYIGRI-UHFFFAOYSA-N 447.003 6.712 0 40 IKAB CCc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 2128501 ZVMHQTKXENVUNZ-UHFFFAOYSA-N 441.387 6.491 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 2222958 YRTSHZXBPLNYOV-XMMPIXPASA-N 432.564 5.194 0 40 IKAB Clc1cccc(Cl)c1CSc1nnc(Cc2ccccc2)n1-c1ccccc1 2578372 XQIAXEGLLTUMLC-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB COc1ccc([C@@H](Nc2ccccc2I)[C@H]2CCCCC2=O)cc1 2589195 SALSQZUNPVNDJT-OXJNMPFZSA-N 435.305 5.212 0 40 IKAB CCN1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(C(C)(C)C)cc1 2693631 XMADOXUAXDRFBI-UHFFFAOYSA-N 433.621 5.069 0 40 IKAB CCCc1ccc(OCc2ccc(-c3nc4c5c(CC)c(C)sc5ncn4n3)o2)cc1 2808953 KHXGDIHTGQPEPZ-UHFFFAOYSA-N 432.549 6.001 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 3011327 HSTFIOVPTPGTFY-HKUYNNGSSA-N 448.876 6.066 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc2ccccc2c1)c1cccs1 3169777 QZWUAQHHWKNVIS-UHFFFAOYSA-N 432.530 5.389 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)cc1 4143788 SWAFIHWZDFJQOS-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB aggregator CCOc1ccc(-c2nonc2NC(=O)c2oc3c(C)c(C)ccc3c2C)cc1OCC 8612512 SXUIZKXFOBXLQA-UHFFFAOYSA-N 435.480 5.458 0 40 IKAB aggregator O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)c(Cl)c1 8717184 DIVJQSYDDFBAJD-UHFFFAOYSA-N 440.282 5.051 0 40 IKAB C[C@@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 8770240 FKZHNUPDGQUVJU-BPOJBYEUSA-N 440.631 6.343 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC)c(OC)c1 8831988 VDYAPXYEKFMIRP-UHFFFAOYSA-N 446.503 5.896 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 8843201 MPWUBCCFFUPCKN-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)oc2c1 8915370 XKKXQUZUDOVSIY-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB CCOc1c(Cl)cc(C(=O)N(Cc2ccc(Cl)cc2)C[C@H]2CCCO2)cc1Cl 8915439 BOILMHDEQUUBCA-QGZVFWFLSA-N 442.770 5.867 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[C@@H]1CCSc2ccccc21 9349258 VNLKZFXHBLFNQT-GOSISDBHSA-N 449.626 5.804 0 40 IKAB FC(F)(F)c1ccccc1Nc1nc(-c2ccccc2)c2cc(Br)ccc2n1 9434106 HZESDIPEQWGTEA-UHFFFAOYSA-N 444.254 6.822 0 40 IKAB CC(C)c1ccccc1-n1c(SCc2nc3ccccc3o2)nnc1-c1cccnc1 9951391 AYMXXPISZSGSOC-UHFFFAOYSA-N 427.533 5.886 0 40 IKAB O=C(NCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 10225349 XLNJHVMNMUFBDW-JOCHJYFZSA-N 441.556 5.057 0 40 IKAB CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1-c1cc2ccccc2o1 11410910 PAOSHMBOFSRNSW-UHFFFAOYSA-N 430.533 5.661 0 40 IKAB CCn1c(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)nc2ccccc21 11421558 PHSLYIFFESKBCA-OAQYLSRUSA-N 439.631 5.446 0 40 IKAB COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)c1 11866366 HTVNAGDYSBLZNT-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB Cc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)n(C[C@@H]2CCCO2)c1C 12774639 UXLSKLZJDROPOX-QFIPXVFZSA-N 427.614 5.137 0 40 IKAB CC1CCN([C@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 12973015 LVAGBMCGEBKSKG-QGZVFWFLSA-N 431.652 5.065 0 40 IKAB CCCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccccc3)S2)cc1 13552210 BESASIBNSZSSRJ-HXUWFJFHSA-N 425.554 5.084 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 13582452 OHFZIHNKUSKIPS-XMMPIXPASA-N 426.903 6.592 0 40 IKAB O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1)c1ccccc1 13785744 ZEVNTDUUQLSHFN-IAPPQJPRSA-N 446.506 6.148 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 14070121 OTDRYHQABHDVOJ-UHFFFAOYSA-N 435.380 5.565 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 14154857 PHXJZKCTDNHHAG-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc3c(c2)oc2ccccc23)c(F)c1F 14270046 DZOWFTPMUWTZLJ-UHFFFAOYSA-N 448.397 5.278 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 16162125 SFMCPYQGNOPDBA-UHFFFAOYSA-N 432.527 6.211 0 40 IKAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)N1CCc2ccccc2C1 16461456 RYPASZUNTBFKPJ-UHFFFAOYSA-N 445.902 5.077 0 40 IKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@@H](C(F)(F)F)C2)cc1Cl 16591640 KGFLCLNPMXKFRV-BEFAXECRSA-N 426.866 5.303 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(C=C3c4ccccc4-c4ccccc43)cc2)cc1 16687872 VRAXHRQYOJIMFP-UHFFFAOYSA-N 445.518 6.685 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)cc1Cl 16693342 ALAYIWQOGSDRRU-KAMYIIQDSA-N 431.875 5.978 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 16776841 IMSZJOHLGYYQIU-LJQANCHMSA-N 445.950 5.462 0 40 IKAB COc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 16840609 ZGNDYTGHSBMTOX-UHFFFAOYSA-N 440.528 5.289 0 40 IKAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)oc4C)ccn3n2)cc1 17051452 OVDFGNHJSGFJMA-UHFFFAOYSA-N 430.895 5.137 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3C)nc2c1 17097559 CWCJHIXUKTZOTH-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1N/C=C1/N=C(c2ccc(C)cc2)OC1=O 17185945 IDUCIYATEATNBI-LFIBNONCSA-N 438.530 5.219 0 40 IKAB COc1cccc(Nc2nnc(SCC(=O)N[C@@H](C)c3cc4ccccc4o3)s2)c1 19181621 KVLOXASTCQXRIC-ZDUSSCGKSA-N 440.550 5.006 0 40 IKAB Cc1cccc(OCCCC(=O)N2CCCC[C@H]2c2nnc(-c3scnc3C)o2)c1C 19235712 CXPWAIZXPQUABI-SFHVURJKSA-N 440.569 5.031 0 40 IKAB COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236834 OMCGVHHFEZRBJQ-ATIYNZHBSA-N 443.591 5.090 0 40 IKAB Cc1ccc2oc(C(=O)N3CC[C@@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)cc2c1 19695090 XMVHLYNBHMSZKI-GOSISDBHSA-N 444.510 5.033 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccccc2F)c1 19904802 LMZXBJCNZMYJRY-RUZDIDTESA-N 432.495 5.138 0 40 IKAB biogenic CCOP(=O)(OCC)C(NC(=O)c1ccc(Br)cc1)=C(Cl)Cl 19912256 UTPFJQVETMQOOI-UHFFFAOYSA-N 431.050 5.049 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20037427 KDBRROJAOBQPNH-VWLOTQADSA-N 443.587 6.628 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 20459120 ABVJYQYAPHWDRC-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3n2)cc1 20610306 IUNGGNSOKFUETB-QGZVFWFLSA-N 430.508 5.249 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 21580358 XHIVUBZFCGJOKO-UHFFFAOYSA-N 433.336 5.186 0 40 IKAB Cc1ccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(Cc3ccccc3)CC2)cc1 23156867 RRVLWINJGQOKEA-QFIPXVFZSA-N 432.593 5.157 0 40 IKAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2cc(-c3ccc(Cl)cc3)sc12 23937077 AXLGYLOCVHXZTQ-INIZCTEOSA-N 427.982 5.704 0 40 IKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3cccs3)c(Nc3ccc(C)cc3)n2)cc1 28049279 SJXXHNISNPXPAZ-UHFFFAOYSA-N 429.549 6.203 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)c1 28290437 GVIWUILODPGHHS-UHFFFAOYSA-N 447.387 6.727 0 40 IKAB COc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30859040 RYWYWUVFWCCVLJ-GOSISDBHSA-N 431.532 5.630 0 40 IKAB CC[C@@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1)c1ccccc1 33068073 LADXNOQVEVBRKO-HSZRJFAPSA-N 441.531 5.023 0 40 IKAB CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccn1 35289136 ZUDRZESVQFUDRY-UHFFFAOYSA-N 429.549 5.207 0 40 IKAB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C/c1cccc(Br)c1 35647521 JQTQOQPPGTVSCQ-RIYZIHGNSA-N 427.245 5.360 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]12 39942119 QGGRDHGCNNAWIE-OPXPWFRUSA-N 444.700 7.218 0 40 IKAB C[C@H]1C[C@@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 40070972 KKLFOGLZDYVXNE-HTAPYJJXSA-N 431.020 5.398 0 40 IKAB CN(C)[C@H](CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 40071013 WBWQUMDJBIJFSS-BWKNWUBXSA-N 449.645 5.277 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 57315936 YLJDJIJSMVYUHM-UHFFFAOYSA-N 446.522 6.728 0 40 IKAB O=C(Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)Nc1cccc2ccccc12 66167317 RUNFURRWVLSJGU-UHFFFAOYSA-N 446.466 6.947 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4Cl)nccn3n2)cc1 67290276 KIZLWHPPSDOOSR-UHFFFAOYSA-N 438.940 5.179 0 40 IKAB COc1ccc(Cl)cc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1cccc(C)n1 67295807 QFKHRYRHLRNFMT-PNHLSOANSA-N 449.894 5.292 0 40 IKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C/CO[P@](C)(=O)O[P@](C)(=O)O 71404874 NNNJMOLVDKLYQL-VJXCOOQQSA-N 446.505 7.803 0 40 IKAB CC(=O)O[C@H]1C2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC[C@@H]1O 77293560 CPAJTVKFJMIGFR-WAJRRKGPSA-N 444.700 6.930 0 40 IKAB in-vitro COc1ccc(C(C)=O)cc1CN(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 95947041 CEYUUDYGTCYEHX-LJQANCHMSA-N 430.548 5.620 0 40 IKAB Cc1c(-c2nnc3sc(/C=C/c4ccc(-c5ccc(F)cc5)o4)nn23)oc2ccccc12 96194395 RAMQKCUYYSVDBE-ACCUITESSA-N 442.475 6.477 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358088 RPVDMLVSUKONHT-UHFFFAOYSA-N 448.529 5.261 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Cl)cc1 101998951 MVWPTZPDKAOHEF-RUZDIDTESA-N 436.983 7.179 0 40 IKAB O=C1[C@H]2[C@@H](c3cccs3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102717188 QNLQEZCOMBQHPE-IPMKNSEASA-N 445.327 5.106 0 40 IKAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222676648 DNJJPQCHYDTLAO-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1c(Cl)cccc1Cl 222682530 NXYLSWUBIULDPT-NSHDSACASA-N 448.177 5.006 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222938611 AOSTYOXDYRIJJG-RTWAWAEBSA-N 446.403 6.277 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1cc(Cl)ccc1OCc1ccccc1 223559284 SJKPHEPWPQNDCU-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 223699005 CZAGCQYBOBGQQV-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224174190 MULURENBKTZFKS-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)c(OC)c1 224183088 WHHVHWLUNSUWKP-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(-c2ccccc2)cc1 224216381 PSYBWQBBACOLRT-UHFFFAOYSA-N 443.930 6.847 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 224495478 TVSBDKOWULCFSG-INIZCTEOSA-N 427.903 5.948 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 224501891 MJCMJFRQVIRAHH-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1CSc1ccccc1 224651622 WNSXGWANZCEPIY-UHFFFAOYSA-N 442.378 6.392 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224817898 WOOFBLFWRUIKDQ-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225129655 NENCGCCJRXGPNH-SFTDATJTSA-N 438.612 5.003 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 225582798 SVSNZPXPYQWIQK-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225714999 AGLUKFAVGNOOTB-HHHXNRCGSA-N 442.603 5.541 0 40 IKAB Cc1c(Cl)cccc1N(CCCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 225775780 NQGBLOTUBMGWTO-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCOc1ccc(COC)cc1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257219146 DFUMHQMTJLBJAV-DEOSSOPVSA-N 448.582 5.736 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 257285948 PJNDVBLPFPAPQG-NRFANRHFSA-N 444.926 5.241 0 40 IKAB Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)C3(C)CCN(C4CCCC4)CC3)n2)c1 257310887 UHAUHIKXYFBEFM-SANMLTNESA-N 446.639 5.084 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)cc1C 408697717 LJDWQTRCYLPADO-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408981046 YLVFIGFFDQCELR-UHFFFAOYSA-N 444.498 6.417 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1 409057433 PZIVWEACLDJATG-ZDLGFXPLSA-N 435.904 5.511 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409088985 MMDIVNCDKZQTDI-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB Cc1nc(S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)O)n[nH]1 409191252 FIVVYSMSPFFMRC-MFOYZWKCSA-N 436.320 5.217 0 40 IKAB Fc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409196855 YGDXQNGJYGTFGY-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB CCOc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 409199769 JWLBRFNXDCKDJG-HAHDFKILSA-N 442.515 5.066 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409379231 VXYWCNXRBGTWDJ-UHFFFAOYSA-N 432.564 5.949 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C 524733567 VSIMABRCJHYORA-RXVVDRJESA-N 447.572 5.540 0 40 IKAB CCCc1ccc(OCc2nc(-c3cc(OC)ccc3OC(C)C)ccc2C(=O)O)cc1 585265129 HHIGJTPFMXZSMW-UHFFFAOYSA-N 435.520 5.774 0 40 IKAB CCCc1nc(CCC2CCCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265669 XHBULMPFCKSTCI-UHFFFAOYSA-N 430.386 6.675 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2ccccc2Br)Cc2ccccc21 2037884860 BZHNUWYKTZMLPM-UHFFFAOYSA-N 443.385 5.409 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O 894898 CMXQAUNLDHIOKS-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB O=C(Nc1nc(-c2ccccc2)cs1)c1ccc(COc2ccc(Cl)cc2Cl)o1 1083490 UDCGACKPVCJWGY-UHFFFAOYSA-N 445.327 6.541 0 40 IKAB COc1ccccc1Cc1nc2cc(C)c(C)cc2n1S(=O)(=O)c1c(C)cc(C)cc1C 1344132 RNQSFUAYKJXIGG-UHFFFAOYSA-N 448.588 5.415 0 40 IKAB CCOC(=O)[C@@H](Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)c1ccccc1 1464039 ATVJIBXSJDXVAH-VWLOTQADSA-N 430.456 5.152 0 40 IKAB biogenic CC[C@H](C)[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 1770323 XAMFYUOXIXGUBS-GTNSWQLSSA-N 438.833 5.008 0 40 IKAB CCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 1833002 OFPJCMFEHHSASL-UHFFFAOYSA-N 432.589 5.778 0 40 IKAB biogenic CCOc1cccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)c1 1852906 CWZPTVFZTLDGIM-MRXNPFEDSA-N 448.950 7.313 0 40 IKAB O=c1c2c3c(sc2nc(SCc2c(F)cccc2F)n1-c1ccccc1)CCCC3 2188704 HKKPVSVTUWKGSY-UHFFFAOYSA-N 440.540 5.897 0 40 IKAB N#C/C(=C/c1ccc(-c2ccc(Br)cc2)o1)C(=O)Nc1ccc(Cl)cc1 2275345 IZBUIOQDSMMMFM-KAMYIIQDSA-N 427.685 5.908 0 40 IKAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(C(F)(F)F)cc1 2482311 FARZLQXTAVTGOA-AWEZNQCLSA-N 434.361 5.166 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@@]5(C)C[C@@H]4CC(C)(C)C5)cc3)sc2c1 2643126 ZTPBCHLRBHJYTD-DFBJGRDBSA-N 435.662 6.869 0 40 IKAB COc1ccc([C@@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC 2762272 XZJATTBGOKZMLP-YADHBBJMSA-N 427.859 5.032 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3135595 ZHTDTNVWRMQKMD-LBPRGKRZSA-N 427.344 6.283 0 40 IKAB Cc1cc(SCC(=O)OCC(=O)c2ccc(Cl)s2)c(C)cc1Br 3228821 SWXCYDBIQNSXCJ-UHFFFAOYSA-N 433.776 5.299 0 40 IKAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2ccccc2Cl)cc1 3365396 JQDSJWCWVGFLSL-UHFFFAOYSA-N 436.920 5.118 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1C 8921983 AVAPFPXOJCXJHN-MHZLTWQESA-N 447.962 5.581 0 40 IKAB O=C(Oc1ccc2c(OC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc2c1)[C@H]1C[C@@H]1c1ccccc1 8935050 VCVLKSXOJNCUEV-JVYGEBFASA-N 448.518 6.258 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 9033121 ILMDZPHZUORDBY-WMZHIEFXSA-N 447.362 5.831 0 40 IKAB biogenic N#CC(C#N)=C1C=CC=CN1/C(=C/c1cccs1)C(=O)c1ccc(Br)cc1 9086831 MWVLBTGDVXEWHB-UDWIEESQSA-N 434.318 5.421 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)cc1Cl)c1ccccc1 9144960 WWOQDTHVANGOIR-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB Clc1ccc([C@@H]2C[C@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292375 XJGHNJDNTSCSLR-PZJWPPBQSA-N 438.756 6.599 0 40 IKAB Fc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)sc2c1 9381967 ZUEFHRMFWIBVDA-UHFFFAOYSA-N 437.590 7.396 0 40 IKAB CC1(C)C[C@](CCNCc2ccc3c(c2)OCO3)(c2cccc(C(F)(F)F)c2)CCO1 9452412 NSPYYTLYXJEXFA-HSZRJFAPSA-N 435.486 5.441 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1 9588553 QSVVYYGIMYOSCW-UHFFFAOYSA-N 431.926 5.344 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(Cl)cc4)c3c2c1 9676017 SDWMWXOHKRBZER-UHFFFAOYSA-N 427.935 6.910 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1[C@@H](C)c1ccccc1 9911608 GIZDRCTVBDXBDX-SFHVURJKSA-N 431.561 5.663 0 40 IKAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1(S(=O)(=O)c2ccccc2)CCCC1 12265394 OHVZSPBWEJVVTI-UHFFFAOYSA-N 436.558 5.175 0 40 IKAB CCc1c(C)sc2nc(-c3ccc(OC)cc3)nc(SCC(=O)Nc3ccccc3)c12 12881812 NNASDWRSHXCXQU-UHFFFAOYSA-N 449.601 5.969 0 40 IKAB N=C1C2=C3Sc4ccccc4N3CCCC2=NN1c1c(Cl)cc(Cl)cc1Cl 13015022 NVAZLBZQELPEJQ-UHFFFAOYSA-N 435.767 6.418 0 40 IKAB Cc1cc(OCC(=O)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)ccc1C(C)C 13098255 DBTSHSXHZCHQHF-QHCPKHFHSA-N 432.589 5.988 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cn1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 13640502 HHPLCDGMEGGLLP-UHFFFAOYSA-N 443.616 5.716 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccc(C)cc2C)cc2ccccc2c1Br 14270026 DAQMGHLSEGKKMP-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cc(C)ccc3C)c2=S)cc1 16769848 QQZBUBJOCXWTHO-UHFFFAOYSA-N 428.561 5.634 0 40 IKAB COc1ccc(CCNC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1 16848902 GJYCJMBVPVEBBW-UHFFFAOYSA-N 439.968 5.016 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c1 17095171 WWCOHIVDUHHDSD-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(-c3ccc(C)cc3)n2)c(OC)c1 17096945 SSIPCJSCLLGRRR-UHFFFAOYSA-N 430.504 5.549 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3Cl)oc2c1 17099286 FVGFTFRGEGRRQE-UHFFFAOYSA-N 434.923 6.744 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(-c2ccc(Cl)cc2)c(C)cc1=O 17364125 CFSTYTFIHOVPCJ-UHFFFAOYSA-N 430.335 5.225 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(F)cc3)o2)nnc1-c1cc(Cl)ccc1OC 19929388 PICWZNMHHFODJV-UHFFFAOYSA-N 445.907 5.108 0 40 IKAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)n(O)c3ccccc23)CC1 20192833 HFAIOBHVXRQEGX-VWLOTQADSA-N 431.967 5.536 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2Cl)cc1 20483509 NJMSYAODDSPELY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1cccc(CNC(=O)c2ccc(-c3ccccc3Cl)o2)c1)c1cccnc1 30668858 LUHWYSCDEBZDPW-UHFFFAOYSA-N 431.879 5.177 0 40 IKAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1 32040092 OAKUTWKDBHUFJR-GJZGRUSLSA-N 430.392 5.696 0 40 IKAB CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 33596225 ZNMDOFGBBDMYBQ-YVLHZVERSA-N 449.395 5.585 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O)N1CCCCCC1 34857453 GMVNLMCQYAHFHK-UYRXBGFRSA-N 444.940 5.039 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCc1ccc(C)cc1 35352269 VXROVQDRWUTNME-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3ccc(C)cc3)s2)cc1 39768542 GENBUWIYKDZGTI-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB COc1cccc(OCCNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 40070934 WPAGYVJUROUANQ-UHFFFAOYSA-N 442.515 5.145 0 40 IKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc2c(cc1Br)OCCO2 40103721 SRUKZPSBSRUEBR-LLVKDONJSA-N 425.710 5.099 0 40 IKAB CC[C@H](C)c1ccccc1OCCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 41078058 ORBUMRQOXSZHES-KOXKPCSVSA-N 431.488 5.595 0 40 IKAB Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)cc(C)c1I 57313056 GEWPEWUMSCASHM-UHFFFAOYSA-N 437.321 5.223 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 57317086 ZXNHUCJBJVYCOK-OAHLLOKOSA-N 428.326 5.816 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)NC1CCCCC1 58960039 IFMFUVDCVHCGID-UHFFFAOYSA-N 429.895 5.357 0 40 IKAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 65563760 HSNDLEBBNGBNTG-WOJBJXKFSA-N 448.588 5.273 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)cc1 67297634 XLHDAZICVCVCBZ-FVDSYPCUSA-N 442.471 5.103 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214674 NLKSCUZZKRUJNM-OAQYLSRUSA-N 439.556 5.707 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Br 72229974 TZFMVTMMBSTZBW-FQEVSTJZSA-N 446.728 5.445 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 72356186 QOIRDXZTRMJEHU-QHCPKHFHSA-N 445.538 5.098 0 40 IKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1c(C)nn(C)c1Oc1cccnc1 78733106 PEIHPRKMORQMQP-UHFFFAOYSA-N 439.928 5.253 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)cc2)C(=O)N1c1ccc2ccccc2c1 102735944 IZRGMSVRVHAMNO-CCDWMCETSA-N 438.458 5.030 0 40 IKAB COc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 106684389 MMNDDMLHWLSQGY-NVNXTCNLSA-N 428.724 5.892 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214423493 SRUXYGSDWNGFIM-UZPSYVQNSA-N 436.360 6.407 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1 214462216 KIGZIADPMBUSJR-HYARGMPZSA-N 447.512 5.668 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 223351649 JGRRGTVLQUDTRB-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223854645 SZMHPDOFMRDYGC-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224039351 ISFJXYZAXYRZOJ-IBGZPJMESA-N 445.003 5.139 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224154356 JSFSZGJIYMHMOP-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1nccs1 224156275 SZTYNNRZYHVVES-LEWJYISDSA-N 431.590 5.123 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1 224242724 RSBGTNVHSIWGOG-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224790080 NSKOBCPKUYWNJN-SFHVURJKSA-N 445.028 5.298 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225163028 JOPMNOMVKJZLDO-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225306772 QLTCNCUMKMHDJF-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225470843 QMXOTIHGXPLZGV-QFIPXVFZSA-N 428.576 5.151 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225505599 SLUKMTQJYNEGJY-HXUWFJFHSA-N 429.358 5.973 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225518147 QDEMPIJSQMEOKY-GOSISDBHSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225529195 VHCLFRSBEFLNLH-NZQKXSOJSA-N 426.626 5.199 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2F)n1Cc1ccccc1 225543051 MGTQWRQXFNSOKU-UHFFFAOYSA-N 441.531 5.871 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 225612856 GTGAIVHXPBPGQV-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225695023 COPHFRQDFLCUJE-HSZRJFAPSA-N 442.603 5.193 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225741822 UQXUYTLPFOSCDA-UHFFFAOYSA-N 446.632 5.274 0 40 IKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1OCC 225752540 PQVPBSAJRJUYPT-OAHLLOKOSA-N 425.554 5.088 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)cc3)CCCC2)cc1OC 225846196 RUMHKBKYTVYBBJ-UHFFFAOYSA-N 435.387 5.222 0 40 IKAB Oc1nc(-c2ccc(-c3ccccc3Br)o2)nc2ccc(Br)cc12 253536194 KSNKXYUMFOTGIK-UHFFFAOYSA-N 446.098 5.787 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1 253562464 DHPABJAAWYDUQJ-AALWMKDKSA-N 427.931 5.973 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@@H]2CCc2ccccc2)nc1CCCc1ccccc1 257215489 CQIFASPAWDFCJL-HSZRJFAPSA-N 429.564 5.342 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@]2(CC1)CN(c1ccc(F)cc1)C(=O)O2 257229566 FYOSPELIOQYWMI-HHHXNRCGSA-N 444.506 5.514 0 40 IKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257240168 HSJCFGWMWYMXNY-UHFFFAOYSA-N 430.479 5.430 0 40 IKAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccc(Br)cc3)cc2)CC1 408722164 PUDXTJKTLYEZKK-UHFFFAOYSA-N 433.371 5.097 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1)c1ccc(Cl)cc1 408750605 PHVMVVPRCVYXKH-UHFFFAOYSA-N 428.941 6.633 0 40 IKAB COc1ccc(CSCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 408921727 WBEPHKWNZSPQMS-UHFFFAOYSA-N 430.422 5.285 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)Nc1cccc(Cl)c1 409159804 UZKGUTMCEPCUGI-VGOFMYFVSA-N 441.723 5.322 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409176558 RDBGKCMDFPVOPM-VHFNBEQNSA-N 426.604 6.603 0 40 IKAB Oc1c(Br)cc(-c2nc3ccccc3s2)cc1I 409192057 UBMJUSVEBWHCPV-UHFFFAOYSA-N 432.080 5.036 0 40 IKAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 409351089 WFBNWQNJUGAZMY-VYZAVGSRSA-N 448.544 5.068 0 40 IKAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3cccc(F)c3[nH]1)[C@H]2Cc1ccccc1 2037846728 WRETZYILWMCTJJ-CPASSRBFSA-N 431.555 5.006 0 40 IKAB CC(C)=CCC[C@H](C)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@]35CC[C@@]12C 2060993613 ONQRKEUAIJMULO-XUPOKUKYSA-N 426.729 8.169 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 668996 XAAZFCVGJWESFT-UHFFFAOYSA-N 448.526 5.260 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 682577 IZPLKDHUPUFCLV-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB Cc1ccccc1C(=O)N1CCN(c2nc(-c3ccccc3)c3cc(Cl)ccc3n2)CC1 848175 GOHKFVCUVJEICW-UHFFFAOYSA-N 442.950 5.221 0 40 IKAB O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)C1CCCCC1 1635186 SNLUEZLITDQYGH-UHFFFAOYSA-N 442.028 5.222 0 40 IKAB O=C(Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)c1ccc(Cl)cc1Cl 1789889 NNYHKKJNZQMBKL-UHFFFAOYSA-N 445.685 6.639 0 40 IKAB c1ccc2c(c1)CC1(CCCC1)c1c-2ncn2nc(COc3ccc4ccccc4c3)nc12 2263487 XDAWTJVTBSSGQN-UHFFFAOYSA-N 432.527 5.891 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 2341594 JMTDTRWFRUABED-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccc(C)cc1)C(=O)C2 2402130 AKTSCGDUUPTRRN-HHHXNRCGSA-N 431.532 5.480 0 40 IKAB Cc1ccc(C(=O)c2c(-c3ccccc3)cc(-c3ccc(C)cc3)c3c2C(=O)CCC3)cc1 2557645 GKWPNGMNPOSKEG-UHFFFAOYSA-N 430.547 7.387 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc(OC)c1OC 3265792 HBNMUENVWWAFCS-UHFFFAOYSA-N 445.349 5.457 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccccc1OC(F)F 3282433 MGGBUVYPKFOFIR-UHFFFAOYSA-N 448.425 5.299 0 40 IKAB O=C(Nc1cccc(I)c1)c1ccccc1OCc1ccc(F)cc1 3290518 KCZPRIMIOYGDNG-UHFFFAOYSA-N 447.247 5.262 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(Cl)cc1 3361477 WNDQAZHYOUHWAH-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB O=C(CS[C@@H](c1ccccc1)c1ccc(Cl)cc1)OCC(=O)c1ccc(F)c(F)c1 3443959 BWQXWQDXXKFVBW-QHCPKHFHSA-N 446.902 5.867 0 40 IKAB CC1(C)Cc2c([nH]c3nc(SCc4ccccc4)nc(SCc4ccccc4)c23)CO1 3647737 FHVNTNDTAGLJRH-UHFFFAOYSA-N 447.629 6.394 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4371551 BMFRSUUPDIARMS-MYKNIMNWSA-N 429.626 7.437 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)N[C@@H](C(=O)OC)C(C)C)c(C(C)(C)CC)c1 5501567 HVFIMKXUPUDHMD-HSZRJFAPSA-N 433.633 5.535 0 40 IKAB C[C@@H]1[C@@]2(c3ccccc3)[C@H](C(=O)c3ccccc3)N[C@H](c3ccccc3)[C@@]12c1ccccc1 5706567 JNDUYIVFABWMIF-NBBQLPJFSA-N 429.563 6.108 0 40 IKAB Cc1ccc(C(=O)Sc2[nH]c(-c3ccccc3)nc2S(=O)(=O)c2ccccc2)cc1 6406869 IDWJSIHSUORTGI-UHFFFAOYSA-N 434.542 5.150 0 40 IKAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3c(C)cc(C)cc23)cc1 8383531 WCDLTGJKBSKRTD-UHFFFAOYSA-N 428.463 5.697 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717696 XAWWOBYQYQZUNV-AREMUKBSSA-N 439.559 5.231 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3)nc2c1 8831944 LAEIRXKDADSPNP-UHFFFAOYSA-N 441.314 6.625 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c1Cl 8832376 KOZJPSYSJOXHDU-UHFFFAOYSA-N 448.733 7.181 0 40 IKAB Cc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1)C(C)(C)C[C@]2(C)c1ccccc1 9189989 QCZLPNZAFVVJGM-AREMUKBSSA-N 448.404 6.893 0 40 IKAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 9193177 VFCPLEWUKWGJPT-DEOSSOPVSA-N 440.499 5.425 0 40 IKAB CC(C)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 9236583 HHEOARFILKUCPW-DJKKODMXSA-N 436.360 6.265 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cc(C)ccc3C)cc2oc1=O 9424501 YQHZBRLDQBDCNE-UHFFFAOYSA-N 428.912 5.446 0 40 IKAB COc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Oc3ccccc3)c2)cc1 9464919 FDPWUIVITYONPN-UHFFFAOYSA-N 446.532 5.107 0 40 IKAB O=c1[nH]c(CSc2nnc(NC3CC3)s2)nc2scc(-c3ccccc3Cl)c12 9712227 JCYXLNRMUYPGLU-UHFFFAOYSA-N 447.998 5.023 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(C)n3-c3ccccc3C)cs2)cc1 9864249 YGYAENFYNVURDE-UHFFFAOYSA-N 449.605 5.123 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl 12249518 RKJYHTORLNWQBZ-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 12568857 SFMZABOHXHLYHZ-NDEPHWFRSA-N 449.510 5.059 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12578850 HIZDSOSFHNTUCZ-DEOSSOPVSA-N 429.886 5.962 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C 12787462 KRAYUBNENAPJOD-UHFFFAOYSA-N 434.546 5.305 0 40 IKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccccc1Br 12914467 MOPNHGSCLYEGLK-IBGZPJMESA-N 433.396 5.158 0 40 IKAB Cc1cc(C)n(-c2nc(-c3ccc(Br)cc3)c3c(n2)-c2ccccc2CC3)n1 12954052 JZQIIVSSPBSCBG-UHFFFAOYSA-N 431.337 5.474 0 40 IKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3ccc(F)cc3)cc12 13564678 YDQDMYYJDWYDIZ-UHFFFAOYSA-N 438.934 5.094 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2Cl)cc1 13670995 DVWOAULBFBEXNR-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c23)CC[C@@H](C)C4)c1 15554642 IVIQOFSNMZWABH-QGZVFWFLSA-N 447.625 6.467 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 16193194 FVSVPRGMYLWPII-NTCAYCPXSA-N 430.939 6.068 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCCC3 16638394 KJVGVGBYVFPSMV-UHFFFAOYSA-N 426.651 6.448 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccccc1I 17103032 HAYXXLKDHPVCGH-UHFFFAOYSA-N 439.256 5.087 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 19648255 PZWGKQBLFJQKOT-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 19690230 GEOHUZFSKXDHOM-DEOSSOPVSA-N 432.612 5.455 0 40 IKAB O=S(=O)(c1ccc(Br)s1)N(Cc1cccs1)Cc1cccs1 20001076 LNDCUEMCWANPCZ-UHFFFAOYSA-N 434.427 5.025 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OCN(CCc1ccccc1)C3 20412240 FZGPSMZTHTULIB-UHFFFAOYSA-N 445.946 5.740 0 40 IKAB Cc1ccc2[nH]c(C(=O)NCCC3=CCCCC3)c(NC(=O)c3ccc(Cl)cc3)c2c1 21361638 YGZNPIIWKBNOGO-UHFFFAOYSA-N 435.955 6.002 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21531293 HOCYGRXUJFGMGP-LJQANCHMSA-N 443.478 5.125 0 40 IKAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 22274953 ZRWXYVRCDFGOSK-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nc2cc(-c3ccccc3)sc2c1=O 23127053 QHMTZERVLMJPMN-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB O[C@H](CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 25221696 CNAUIXLMRGWXSD-OAQYLSRUSA-N 439.943 5.476 0 40 IKAB COc1ccc(CNC(=O)c2ccc(COc3cccc(Cl)c3Cl)o2)cc1OC 27984834 DOEIOWKXWMCXMM-UHFFFAOYSA-N 436.291 5.113 0 40 IKAB C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(-c2ccco2)no1 29740063 OPOOLXCAYXAOLE-ZDUSSCGKSA-N 442.932 5.017 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 29983180 UPBNMXQEJRAFBQ-UHFFFAOYSA-N 440.465 5.700 0 40 IKAB CCN(CC)[P@@]1(=Nc2ccccc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693774 DOQOWYAHYCBBEV-MFMKJMOGSA-N 435.556 6.570 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 44849408 MMXXTJQTRAKXHS-GOSISDBHSA-N 440.540 5.043 0 40 IKAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44852571 RCUKBULYLVQKDD-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB Cc1cc(NC(=O)c2ccc3nsnc3c2)ccc1NC(=O)c1cc2ccccc2o1 59294355 PSTRGXUDQCXHEA-UHFFFAOYSA-N 428.473 5.251 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1cccc(Cl)c1 59418218 HHCSBZQGHYFCBM-CIAFOILYSA-N 439.895 6.299 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)c(OC)c1 67258909 MKNLGCTUWLOLHF-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1C 72314639 HQZHGPGOTBPKFK-RUZDIDTESA-N 435.527 5.510 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)s2)cc1 89453743 DUAQLHJXTABJAQ-UHFFFAOYSA-N 426.350 5.572 0 40 IKAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 101596563 LFXJNFCJVQGAAZ-UPJWGTAASA-N 440.744 5.251 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102315891 AEOILEPKDWLZRG-NTPFDHPUSA-N 435.568 5.469 0 40 IKAB CCCCCCc1c(O)n(-c2ccccc2)c(SCCN(CCC)CCC)nc1=O 102928309 WKCAVRROQPDCMC-UHFFFAOYSA-N 431.646 5.275 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 106741621 DRCWMCQNTYZKDJ-GHOUAXAESA-N 449.931 5.902 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)c1 112250670 ZQHTXOPPFPGPFW-BKCZMFJTSA-N 440.547 5.282 0 40 IKAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccc(Cl)cc1 136480449 FMOSHKWMZZHYAP-ASDGIDEWSA-N 441.958 5.621 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)N(Cc1ccccc1)Cc1ccccc1 219450166 PXBMJPNKXAOHOM-UHFFFAOYSA-N 434.539 5.809 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1cccc(Cl)c1 219455528 ARTDTMTWZRKXSS-UHFFFAOYSA-N 438.980 5.283 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222848330 VZSMOBOIKBPBAF-PMACEKPBSA-N 432.376 6.029 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1NS(=O)(=O)c1ccccc1 224084321 HGFINQGFKQQMLZ-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224243676 XSLMUQSVFBAYJD-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 224324756 HAZUVXUPCGHSAS-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224667708 VWHPUDFXHGTQIV-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224917915 YDLZSECYZIMSEC-OALUTQOASA-N 428.355 5.231 0 40 IKAB Cc1ccccc1CSc1nnc(NC(=O)Cc2ccc(-c3ccccc3)cc2)s1 224982863 HOLBAVMMERSLJX-UHFFFAOYSA-N 431.586 5.987 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663359 VOAURTKTVRYFMO-PIXQIBFHSA-N 430.633 5.357 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 239338724 LBMQWGLSKLHDSA-XRAHJXPYSA-N 445.606 7.163 0 40 IKAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC(F)F)c(OC)c4)OCC[C@@]31C2 257313584 UTGYDEIXSGOLJV-CHFDUSJHSA-N 437.527 5.095 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257324216 WNSDSCRDYLSOIY-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1OC 408553704 BMAVXLHEVXVMHK-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(Cl)c2)cc1 408696257 YSWFJBRISYHLRT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 408696423 BGYJBZCJRMAVNF-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2)cc1 408727333 VZHBFUSUCHOBAX-UHFFFAOYSA-N 432.321 5.863 0 40 IKAB CCCCCCC1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 408957971 WSCSURPVTWDNRR-KRWDZBQOSA-N 441.277 5.182 0 40 IKAB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N(C)C1=S 409040775 UNZDZXOKPTZQII-JAIQZWGSSA-N 444.387 5.416 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1C 409376379 XTIVJJOAVCAHRP-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)c1C 409383890 NNTGBENQYLVYJU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 1889151985 QUYCEUJYTAJEMW-OMPBKWRZSA-N 448.569 6.463 0 40 IKAB CCOc1cccc2c1N(C(=O)c1ccc(OC)cc1)C(C)(C)c1ssc(=S)c1-2 666136 MTMQWUWHOKJZKH-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1 886545 OCNAMYQZZWYRMZ-GOSISDBHSA-N 429.549 5.065 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)c(OC)c1 997304 RMFCIMPBBSVMTB-UHFFFAOYSA-N 426.516 6.295 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cccs1 1333566 LQMHPPAVBSFHEB-DEOSSOPVSA-N 432.589 5.581 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352945 ACBFOLFUIRQXGI-UHFFFAOYSA-N 449.913 5.863 0 40 IKAB COc1cccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)c1 2201598 JOUIWEQBFWSHSG-UHFFFAOYSA-N 429.453 5.298 0 40 IKAB biogenic Cc1cc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)ccc1Br 2240333 NDACIVBAIYLWOR-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c1C 3008313 YIUFMFWGVYZRIN-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB O=C(NCCOc1ccccc1Cc1ccccc1)Nc1ccc(Br)cc1 3039862 RGARJVUKVBXTAK-UHFFFAOYSA-N 425.326 5.240 0 40 IKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 3224465 ZSDBHEXQOITZDO-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(Br)cc2Cl)ccc1OC(F)F 3286817 AUMNRVCJAKFCCJ-XVNBXDOJSA-N 432.648 5.364 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3302273 MHXUDAZADYJOJP-DEOSSOPVSA-N 440.528 5.474 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F 5031921 KHFBTGSGQORUSE-BDYUSTAISA-N 425.588 6.036 0 40 IKAB CCCn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 5155751 XMQSCFMDPFBBLF-DLBZAZTESA-N 426.561 5.161 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)c1 6631294 QDIWZTIFFNWYMI-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccc(F)cc1 8759689 IVBKTUNGDDTUGI-HNNXBMFYSA-N 437.877 5.537 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2oc(-c3ccncc3)nc2c1 8832106 BUWPUPJVWXFOSL-JXMROGBWSA-N 441.874 6.455 0 40 IKAB Nc1c(C(=O)NCc2ccc(F)cc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 8835984 PVVYUJRRVSOWCL-UHFFFAOYSA-N 443.526 5.126 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063286 YDNHRPCAKZNUFI-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(N2CCCCC2)c(Cl)c1 9246899 XRFFOQKNKXYIOA-UHFFFAOYSA-N 448.177 6.308 0 40 IKAB O=C(CCC(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 9255796 NLZSSSNDCCKFBC-XMMPIXPASA-N 441.527 5.451 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2Cc2ccco2)cc1 9308199 TVORRVWRTYOJSP-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 9516678 PIJPPFAFFBOTRW-SANMLTNESA-N 441.575 5.091 0 40 IKAB Cc1c(C(=O)CN2C(=O)N[C@](C)(c3cccc4ccccc34)C2=O)sc2ccccc12 9594679 SRQBLKGPUGNEHA-RUZDIDTESA-N 428.513 5.013 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)Cc3c(F)c(F)c(F)c(F)c3F)s2)cc1 9671217 JUMCJHCSRVELPW-UHFFFAOYSA-N 445.438 5.016 0 40 IKAB CCCN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2cc(Br)ccc21 9908316 JAFVOPMAINKVEO-QHCPKHFHSA-N 444.369 5.098 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccccc2)c1 12496304 WABPWWPIUTVEKL-UHFFFAOYSA-N 442.588 5.649 0 40 IKAB CCCOc1cc(C)c2cc(Cc3cc(C)c4nc(OCCC)cc(C)c4c3)cc(C)c2n1 13283034 PCDOZTOCQXJTQM-UHFFFAOYSA-N 442.603 7.185 0 40 IKAB CC/C(=C\[C@H](c1ccc(OCCN2CCOCC2)cc1)c1cccs1)c1ccccc1 13407064 SEXHIDRHLJITLC-VYNOCKSYSA-N 433.617 6.085 0 40 IKAB CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N\c1ccccc1 13581869 OTNFJYGGDGWCRV-IZHYLOQSSA-N 433.602 6.481 0 40 IKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c2ccccc21 13942402 PAGSPVYSBQZNIL-LJAQVGFWSA-N 446.525 6.730 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1 13953821 HXKOKOACIYEEFO-UHFFFAOYSA-N 441.962 5.513 0 40 IKAB COc1ccc(Br)cc1/C=C1\C(=O)N(c2cccc(C)c2)C(=O)c2ccccc21 14013726 POUHFIDZSFXPLJ-STZFKDTASA-N 448.316 5.494 0 40 IKAB CC(=O)Nc1ccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 14110754 WKUWUBQBLTXPAO-UHFFFAOYSA-N 425.282 5.452 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 14273013 SNPPOPBJZJVGHD-UFWORHAWSA-N 440.587 7.012 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)Cc3ccco3)no2)cc1C 15833083 VVJIQAXGRSBBDD-UHFFFAOYSA-N 442.559 6.692 0 40 IKAB Cc1ccc([C@@H]2Cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C(=O)O2)cc1 15838259 RNJVWGRROGDZIJ-NRFANRHFSA-N 425.406 5.720 0 40 IKAB CCC(=O)N1N=C(c2ccc(OC)cc2)Sc2c1nc(-c1ccc(C)cc1)n2C(=O)CC 16777726 FLWSGTGJGQILHW-UHFFFAOYSA-N 448.548 5.128 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3O)nc2c1 17097556 VGTYXADFXDREAV-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB O=C(CCCc1ccccn1)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19373364 RWEQKXORJDCYMY-LJQANCHMSA-N 445.592 5.263 0 40 IKAB O=C(c1cccc2ccccc12)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376362 OPZVNQUWBSURLH-UHFFFAOYSA-N 434.499 5.458 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3)nc2c1 19636514 ZNPNJCRUKYWJHP-LJQANCHMSA-N 442.559 7.295 0 40 IKAB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c1 20796099 OBPSXAJIBUNSBL-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB Cc1nnc2sc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)c3)nn12 21596041 GGMXSVCPSLFLHG-UHFFFAOYSA-N 449.580 5.255 0 40 IKAB Cc1ccc(-c2noc(CN(C(C)(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256951 ILQQWSAKSLIMAK-UHFFFAOYSA-N 427.570 5.158 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCCC2)cc1 29740094 QAZKIQIDPQUKQV-INIZCTEOSA-N 436.541 5.062 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30938682 PTUCAYUJKPOZKU-ZDUSSCGKSA-N 432.178 6.151 0 40 IKAB O=C(Oc1ccccc1Cl)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 32624094 HIKNAGJIOMJLLT-UHFFFAOYSA-N 425.724 5.948 0 40 IKAB O=C(/C=C\c1ccc(Cl)c(Cl)c1)c1ccc(Sc2ccccn2)c([N+](=O)[O-])c1 33374232 KSBYPNSCAAKEAS-YVMONPNESA-N 431.300 6.344 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1OCc1ccc(C)cc1 33572397 MGGVKDCZBWQBOH-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCCC[C@@H]1c1nc2ccccc2s1 69591792 DTQVMLCKBBBPAT-JOCHJYFZSA-N 428.557 6.096 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c1 72230018 GTEMWPGTLCZQIZ-QHCPKHFHSA-N 425.912 5.471 0 40 IKAB C[C@@H](NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccc(Cl)cc1 72242812 FOMFRJHBISUCCZ-MRXNPFEDSA-N 433.895 5.313 0 40 IKAB C[C@H](N[C@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 95994647 DPHYODNXHRBPLX-FUHIMQAGSA-N 444.501 5.317 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 100738887 AWCAAPWISXSQGQ-GRGXKFILSA-N 446.570 5.434 0 40 IKAB Fc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100906307 QNYDWYBXEMBFRU-NRFANRHFSA-N 437.305 6.447 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(Cc3ccccc3)[C@@H](c3ccccc3Cl)C2=C(O)C1 102881342 SXEPHGIEHCKEDO-MHZLTWQESA-N 442.990 7.806 0 40 IKAB COc1ccc(C(=O)N2CCc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc32)cc1 222944501 LAHUOIIPYLECFQ-UHFFFAOYSA-N 441.314 5.457 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 223977938 IGNBNWWLMDVUBN-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 224200836 JXXFMRJLNKJPGY-XMMPIXPASA-N 438.637 5.343 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1N(C)S(=O)(=O)c1ccccc1 224292458 JLBVWYSIOKPPNF-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1CSc1ccc(C)cc1 224337040 HNKSAOXBHGIQNE-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 224670526 LAJWYSMXIFBDHM-UHFFFAOYSA-N 446.399 6.614 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224761950 SUKYMTBPOMTCSW-LJQANCHMSA-N 426.988 5.139 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3)o2)c(OC)c1 224932425 AZPXQBUCAAMWCU-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225127678 HQGJUKOUELJVHM-FGZHOGPDSA-N 430.592 5.413 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225155342 QPZCUPKHGUIONR-XMMPIXPASA-N 438.612 5.005 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225280696 ZKLKKYNBDIBTCV-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB C[C@@H](NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)c1ccc(Cl)cc1 225833825 IRHAJHLJJCBKSV-QGZVFWFLSA-N 431.923 5.867 0 40 IKAB Cc1cc(NC(=O)C(F)(F)F)cc2nc(-c3cccc4c(Br)cccc34)oc12 226269504 IDCJLAZQIRYFTO-UHFFFAOYSA-N 449.226 6.220 0 40 IKAB Cc1cccc(Cc2cncc([C@@H]3CCCN3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 257232875 GMUOGKSIRYFORM-XCZPVHLTSA-N 443.591 5.271 0 40 IKAB CN(C)C(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)CC2CCCC2)CC1 257330816 XQESEYXTINJNEM-UHFFFAOYSA-N 432.608 5.173 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408575942 OXJXMJWYDFPWIY-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Br)cc2)c1 408692930 YSBJAUHZBZJXCT-UHFFFAOYSA-N 439.357 5.068 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 408771246 FDZXWDZXAXDUTC-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cc(Cl)ccc2O)C1=O 408801701 WYDCEKGRICSTCZ-WENSYSQISA-N 427.977 6.100 0 40 IKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408814688 PXZXJWQUFZXICG-UHFFFAOYSA-N 435.956 5.990 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 409113690 FVIYPOQCEGAOHK-UHFFFAOYSA-N 441.483 5.808 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)c1ccc(Cl)cc1 409357158 JEDQWDOKQJTMDM-HYARGMPZSA-N 449.915 6.052 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 585266199 WCAPJWIDHPUEID-OAQYLSRUSA-N 425.891 5.094 0 40 IKAB O=C(N/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1)c1ccccc1 832935 QSMTUVHWFKWHKP-OQKWZONESA-N 434.923 5.383 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3cc(C)ccc3C)c3ccccc3n2)cc1 990940 LNDYAXLJQHSXPN-UHFFFAOYSA-N 425.484 5.567 0 40 IKAB CCc1ccc(-c2cc(C(=O)NCCc3ccc(OC)c(OC)c3)c3ccccc3n2)cc1 997354 IHDKRNSKGWPFFA-UHFFFAOYSA-N 440.543 5.454 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 1098816 IVYVJNIPKMCLCF-SANMLTNESA-N 430.573 5.638 0 40 IKAB CCc1cc([C@@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1236008 JUVOPAQSSMRCSV-JOCHJYFZSA-N 440.996 5.638 0 40 IKAB CCc1ccccc1N(C(=O)C(F)(F)F)[C@H](C(=O)NC1CCCCC1)c1cccs1 1365841 SIDFNXUPOVVPJW-IBGZPJMESA-N 438.515 5.396 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cccc(Br)c4)ccc3o2)cc1 2031051 AVQDUQFHNORZCO-UHFFFAOYSA-N 449.348 6.807 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1cccc(C)c1 2060037 PFJPQBFULKGWLK-UHFFFAOYSA-N 444.350 5.915 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3cccc(Cl)c3)c2C(N)=O)C1 2082481 VXICAUNYBHPMGG-KUCQQTCKSA-N 431.001 5.693 0 40 IKAB CCOc1ccc(NP(=O)(Oc2ccc(Cl)cc2)Oc2ccc(Cl)cc2)cc1 2291913 YIERMLUTSKJFRP-UHFFFAOYSA-N 438.247 7.070 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 2318238 FQICAWJLGCZOBO-UHFFFAOYSA-N 444.691 6.688 0 40 IKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 2384511 SBVROASOQQIFJD-HLADLETHSA-N 442.927 6.545 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2399960 YRHGQWHOGNYDPR-AVRDEDQJSA-N 437.923 5.294 0 40 IKAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 2441837 KIAPRSQZCXOUHB-QHCPKHFHSA-N 433.511 5.617 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2752824 BQMIJBXKMKJBQM-UHFFFAOYSA-N 437.282 6.190 0 40 IKAB Cc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1C 3169351 FUOAXSYJICYJKI-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3280686 ATQGTWBHEYTWGW-LJQANCHMSA-N 426.925 5.302 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)Cc3ccc(Br)cc3)n2)cc1 3414205 PTFIKJCXKUDOLR-UHFFFAOYSA-N 429.383 6.051 0 40 IKAB CCCn1cc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc21 3582008 RUBJTLPXAPOGRQ-UHFFFAOYSA-N 426.891 6.454 0 40 IKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCCC2 4211556 CPYOZULYDUDTNG-UHFFFAOYSA-N 438.980 6.347 0 40 IKAB CCCNC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 5215538 OCBZGBJFOIAETG-UHFFFAOYSA-N 427.548 5.560 0 40 IKAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 6024056 OBAQBWJPLIXDEZ-UHFFFAOYSA-N 426.582 5.033 0 40 IKAB Cc1ccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)cc1 8691193 HHQHGWZZWYVUBK-UHFFFAOYSA-N 448.574 5.328 0 40 IKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCCC2 8832478 GFLARUIOTGEUDT-ACCUITESSA-N 440.952 5.681 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)c1 8836497 FZBZCTAUYCQDFD-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB COc1ccc(OC)c(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c1 8854449 NFPKHGPOAZECGR-UHFFFAOYSA-N 434.970 5.287 0 40 IKAB CCC(CC)NC(=O)c1cc(S(=O)(=O)Nc2cccc(Cl)c2)c(Cl)cc1Cl 9139394 ISJPEHATLANQJF-UHFFFAOYSA-N 449.787 5.366 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 9166098 RFQBIYMAMILLPK-SIKLNZKXSA-N 439.309 5.601 0 40 IKAB CC[C@@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc(-c2ccccc2)cs1 9227594 KFGZNHMQKNFQFV-LJQANCHMSA-N 433.562 5.172 0 40 IKAB Cc1cccc(C)c1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O 9319415 MOPBVDXAIJHGHA-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB Cc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(F)c(F)c3)oc3ccccc23)c1 9518396 FBZAWUZIGHHVRV-UHFFFAOYSA-N 436.414 5.289 0 40 IKAB Cc1nc(N2CCC[C@H](c3nnc4ccccn34)C2)c2cc(-c3ccccc3)sc2n1 9670643 RPWGUBVLZOCXNB-SFHVURJKSA-N 426.549 5.093 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2nc(-c3cccs3)cs2)cc1 9781087 KZHJGYJVBUJINJ-UHFFFAOYSA-N 425.535 5.237 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 9908774 KSLROEYHNDFZCI-OAQYLSRUSA-N 432.549 5.472 0 40 IKAB CCc1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119203 XKVOGCYWCMFLSC-UHFFFAOYSA-N 432.907 5.652 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3)CCCC2)cc(-c2nc3ccccc3s2)c1O 10372828 CCGPZIOEXYUYKD-UHFFFAOYSA-N 428.557 6.428 0 40 IKAB CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)CC1 11410980 HNLLKXCALATPIA-UHFFFAOYSA-N 432.549 5.031 0 40 IKAB CCOc1ccc2nc(SCc3csc(-c4ccc(OCC)c(OC)c4)n3)[nH]c2c1 12546532 CPVZJBMDNPXTCL-UHFFFAOYSA-N 441.578 5.785 0 40 IKAB CCn1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)c(=O)c2ccc(C)nc21 12598637 YTZGHTHDDHVJPZ-IBGZPJMESA-N 445.588 5.060 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)c1 12625363 KMBZMONIWUFXNK-UHFFFAOYSA-N 448.523 5.164 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)Nc1cccc(Cl)c1 13133787 DFCSGITUCYYBDN-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CC(C)c1ccccc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 13147839 FEVOVCBFGNSTQJ-QFIPXVFZSA-N 430.529 5.924 0 40 IKAB COc1ccc(-c2nc(CSc3nc4ccccc4c4nc(C)nn34)cs2)cc1OC 13229506 WCTJZPBUEWLQNP-UHFFFAOYSA-N 449.561 5.019 0 40 IKAB CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2c(Cl)cccc2Cl)cc1 13688575 ANFRNRFZGIOWIN-NTCAYCPXSA-N 435.354 6.986 0 40 IKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 15412480 XUQMYZBMXKTZAA-YNZBZNKJSA-N 444.962 5.809 0 40 IKAB O=C(Nc1cc2c(cc1Br)OCCO2)c1cccnc1Sc1ccccc1 16008928 XHMULKLYAYLHFW-UHFFFAOYSA-N 443.322 5.019 0 40 IKAB CC(C)(C)[C@@H]1CCC[C@@H]2C1=NN(c1nc(-c3ccc(F)cc3)cs1)[C@@]2(O)C(F)(F)F 16957532 KKBBMOZXYZHLCD-SXGZJXTBSA-N 441.494 5.839 0 40 IKAB COc1cc2c(cc1OC)[C@@]1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2 17216639 SDDVFFLENOCXBC-HSZRJFAPSA-N 438.936 5.316 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1cccc(Br)c1 20410996 KERMKCOLVLBZFC-UHFFFAOYSA-N 442.294 5.156 0 40 IKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccccc1 22076258 CFVPFDPEVZZDNI-UHFFFAOYSA-N 448.445 6.731 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 22245841 COJSWJQKCHDJKI-UHFFFAOYSA-N 430.719 6.547 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Sc1ccccc1 22246041 XGWMHQHHKKOVPP-UHFFFAOYSA-N 435.549 6.738 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1ccccc1SCc1cn2ccccc2n1 28274380 DHWHUIWBMGQIMD-UHFFFAOYSA-N 426.545 5.080 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)oc2c1 32127394 TXKKJLGRGYUTFG-UHFFFAOYSA-N 430.247 5.605 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccccc3F)cc1)=NCC2 33667206 NIQKJDMAJZQJDV-UHFFFAOYSA-N 433.483 5.075 0 40 IKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 59488294 PYRZQORLVFQYCF-NDENLUEZSA-N 438.266 5.557 0 40 IKAB CCCCCCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782839 IBNFQZMCZXLXIE-GVDKLWBZSA-N 448.651 6.290 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 72375637 ZFFVSDNUTRVJHQ-SFHVURJKSA-N 441.988 5.189 0 40 IKAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(C(F)(F)F)c1 95469226 SOMRDGGWTCCJPR-GFCCVEGCSA-N 438.247 5.145 0 40 IKAB Brc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101071677 BHRLTXVQLNPKJL-JOCHJYFZSA-N 429.321 5.764 0 40 IKAB FC(F)Oc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3)=NN21 105833432 SYYYXSMEMGDUPA-SIKLNZKXSA-N 426.850 6.184 0 40 IKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 107016482 JFVDSHQSOVYSOH-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1cccc(OCc2ccccc2)c1 218976618 XDHLYXDCIVRCIX-UHFFFAOYSA-N 429.944 5.721 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222986616 FPKPPHNTVGZGKC-MHZLTWQESA-N 442.603 5.395 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223213042 PZUHAVLGWARIFC-HSZRJFAPSA-N 438.612 5.021 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 224022120 BOCYGRMRXWEPKL-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CN(Cc1cccc(Cl)c1)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224096940 HEXDFUNYABRIDD-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccco1 224157689 LJUUFMAWRDDRHM-DNQXCXABSA-N 428.561 5.318 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224318734 YKOSKRLXTHMTFJ-UHFFFAOYSA-N 439.555 6.805 0 40 IKAB CN(c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1)S(=O)(=O)c1ccccc1 224336612 OPAPQJGERZKWRG-UHFFFAOYSA-N 434.989 5.008 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccc(Cl)cc2)CC1 224352599 CZWOWRRMKHCGCC-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224788395 MWWGWHPAECHRQD-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(CC)cccc3CC)o2)cc1 224922880 QXBFZGQOUFQCKK-UHFFFAOYSA-N 440.543 6.784 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225134460 HKERJFIOVLOOLX-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB Fc1ccc(COc2ccc(CNC(=S)Nc3cccc(C(F)(F)F)c3)cc2)cc1 225533532 FFBRRYYVTVKQFD-UHFFFAOYSA-N 434.458 5.910 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575278 PKAFLWHRNSJWMB-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 225576983 GMRVNTDGMCYNQM-XXBNENTESA-N 445.003 5.058 0 40 IKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(Br)cc2F)cc1 225615654 QCVFDHWYHGCOJU-UHFFFAOYSA-N 431.371 5.337 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Br)cc1F 225828550 VEVXOFXVLKKWFK-UHFFFAOYSA-N 440.272 5.363 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 257211884 CAXSLRJMFYCLJW-QFIPXVFZSA-N 430.552 5.085 0 40 IKAB O=C(c1ccc(F)cc1)N1CCO[C@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257297687 RIMGXKQBXGVLFK-QFIPXVFZSA-N 444.428 5.044 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1ccc3c(c1OC21CCN(C(=O)OC(C)(C)C)CC1)OC(C)(C)C3 257321554 WCDVIYVQYKDLRR-BSIFCXSSSA-N 443.584 5.418 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408562905 SFRIMOZFNHOTBP-GYHWCHFESA-N 430.957 5.211 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(F)cc2)ccc1OCc1ccccc1Cl 408578179 WLUCMGSHWZQQMF-UHFFFAOYSA-N 429.944 5.922 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccccc1C(F)(F)F 408583989 ZDGAWPGZQAEWGR-UHFFFAOYSA-N 437.487 5.287 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 408674172 YRQCZPJIEPMLLT-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)S2)cc1 408779703 IHRVRKQUINPQQD-FNUHDPNESA-N 445.371 6.415 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Br)cc2)C1=O 409012367 JMIUGLSINRGKMH-ONDHQXCVSA-N 446.366 5.863 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409019102 IHBSVSGUGZTMCB-BFTFCADCSA-N 440.568 6.678 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409120596 UMGXTXQGFBTZHH-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CSc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c1 409184358 XPMYXUYYQQHNSR-WPFQWDPVSA-N 440.612 6.957 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc4c(ccn4Cc4cccc(F)c4)c3)C2=O)cc1 409247067 BPIUNZJYYCNXBD-BUVRLJJBSA-N 439.490 5.230 0 40 IKAB COC(=O)c1ccc(Cn2c(-c3ccccc3Cl)csc2=Nc2ccccc2)cc1 584906151 RWJQKIXAANNANE-UHFFFAOYSA-N 434.948 5.937 0 40 IKAB CC(C)(C)[C@@H](NC(=O)COc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)no1 585152280 JNYPASGVNHFUAQ-SFHVURJKSA-N 434.323 5.326 0 40 IKAB COc1ccccc1-c1cc(-c2cc(Cl)ccc2OCC(=O)O)nn1Cc1ccccc1 585264738 KUQXZSOXYZLAPT-UHFFFAOYSA-N 448.906 5.391 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(F)cc4)o3)C2)[nH]c2ccc(F)cc12 2037846223 MXCJAGJFFMXLON-QGZVFWFLSA-N 435.474 5.353 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 879526 VRTRKGXIGCNWAQ-SFHVURJKSA-N 449.620 5.307 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 900719 SOWCIERNXNWCKA-RBUKOAKNSA-N 430.886 5.769 0 40 IKAB CSc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 902303 YUDBAWJATVECCL-UHFFFAOYSA-N 441.525 5.677 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3ccc(OC)cc3OC)c3cc(C)cc(C)c3n2)c1 993125 FBBNBGFERPSOIL-UHFFFAOYSA-N 442.515 5.797 0 40 IKAB CC(C)(C)c1ccc(N(CCN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(F)cc2)cc1 1511634 QVQJFZQZPRSQRW-UHFFFAOYSA-N 444.506 5.066 0 40 IKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(Cl)c(Cl)c1 1962739 HOOMRVBTPPZCIB-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](CC)C2 2092880 UBDNYUOJYUZASN-GFCCVEGCSA-N 436.371 5.455 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2212014 ALKIZMJJDQNWBR-LJQANCHMSA-N 440.421 6.114 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c2COC(C)(C)C3)cc1C 2247491 YIVBKBMBCYCVEU-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1nc2ccccc2s1 2260865 NKBHJLCJMINGTA-HHHXNRCGSA-N 442.584 6.197 0 40 IKAB CCCCCOc1ccccc1/C=c1\sc2nc(-c3ccc(C(C)(C)C)cc3)nn2c1=O 2450044 OYTNHCGMEKKSBM-XLNRJJMWSA-N 447.604 5.232 0 40 IKAB Cc1nc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c(Cl)cc1Cl 2616425 GLIXRCGBWAPKOK-UHFFFAOYSA-N 426.354 5.023 0 40 IKAB Cn1c(SC/C=C/c2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl 2668684 AEIYYXUUVOXKGB-VMPITWQZSA-N 432.401 6.809 0 40 IKAB CC(C)c1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 2762896 YUSFFVZFMNABES-UHFFFAOYSA-N 449.348 6.311 0 40 IKAB O=P(NCC(c1ccccc1)c1ccccc1)(Oc1ccccc1)Oc1ccccc1 3123422 IGOJNSJMQAQSHN-UHFFFAOYSA-N 429.456 6.674 0 40 IKAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)cc1 3231532 LDOWHMDVZHIVIU-UHFFFAOYSA-N 431.945 5.330 0 40 IKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 3658652 FTNQPRWIHQLHQH-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB CCCCc1nc2sc3c(N4CCCC[C@@H]4C)nc(SC)nc3c2c2c1CCC2 5215957 DAWLOPLFVDHGBM-AWEZNQCLSA-N 426.655 6.172 0 40 IKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c(C)c1 6161565 ADINFOCOFCXYQC-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB CCN1C(=O)/C(=C\c2ccc(N3CCCCCC3)o2)S/C1=N/c1ccc(OC)cc1 6954445 UYXBJZHFDFXORT-KEWIZWJQSA-N 425.554 5.293 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 8453383 PBWXDTYPBPQGTN-UHFFFAOYSA-N 430.891 5.763 0 40 IKAB Cc1cccc(CSc2nnc3nc4c(c(O)n23)C2(CCCCC2)Cc2ccccc2-4)c1 8769027 VRZPNZZROJNMSM-UHFFFAOYSA-N 442.588 5.856 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1 8828184 UIPSSZYRCFHWQF-QFIPXVFZSA-N 447.538 5.767 0 40 IKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 8834429 JPBCLNCLFGEBPW-WNJJXGMVSA-N 443.506 6.737 0 40 IKAB Cc1ccc2c(c1)-c1c(c(N3CCN(Cc4ccccc4)CC3)nc3ccccc13)CS2 8873447 GXQKUDVPUUVQRQ-UHFFFAOYSA-N 437.612 6.138 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3csc(-c4cccc(OC)c4OC)n3)n2)cc1 8942027 CPBWEHXYQAYPMP-UHFFFAOYSA-N 438.578 5.467 0 40 IKAB COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](/C(C)=C/c2ccccc2)C1=O 9129613 YFVRYFNPCLQFRN-QQDPUAARSA-N 446.934 5.201 0 40 IKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Br)cc1 9272167 YIJHKRLOPMDMFE-UHFFFAOYSA-N 447.332 5.446 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccc(C)cc2)cc1 9308057 SSUYHJSVRJKWNZ-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 9367791 GLBPADIAXHQNHR-UHFFFAOYSA-N 427.525 6.511 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2C)cc1 9428072 OLJRXSIADWXBTJ-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CCc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 9591923 LAZDJAFRGNPLMH-INIZCTEOSA-N 431.463 5.771 0 40 IKAB COc1ccc(NC(=O)[C@@H](Nc2cccc(N3CCCC3=O)c2)c2ccccc2)cc1Cl 9639816 GIHLZNFHUXKTCL-DEOSSOPVSA-N 449.938 5.267 0 40 IKAB CCC(=O)N(c1nnc(SCc2csc(Nc3ccc(C)cc3)n2)s1)C1CC1 9716819 DLFVLKZMEMKFNA-UHFFFAOYSA-N 431.612 5.244 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccccc2OCc2csc(C)n2)cc1 9961902 SDKGBCGNMNKHMK-RBNVVWFDSA-N 434.561 5.416 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C4CCCCC4)cc3)o2)cc1OC 9983120 QXXUMVNTQSZDPW-UHFFFAOYSA-N 438.549 5.777 0 40 IKAB CSc1cccc2sc(N(CCc3cccs3)C(=O)CCc3ccccc3)nc12 10097347 VVRACFFWFDLOPQ-UHFFFAOYSA-N 438.643 6.288 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(C)c2)cc1Cl 10119201 SUBCRUCACLQHRS-UHFFFAOYSA-N 432.907 5.707 0 40 IKAB Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 12137129 LSPXOCUVNCCXLQ-JXFKEZNVSA-N 448.357 5.030 0 40 IKAB CCCc1cc2c(cc1NC(=O)COc1ccc(C34CC5CC(CC(C5)C3)C4)cc1)OCO2 12411447 ULVAKKDYCMJOQB-UHFFFAOYSA-N 447.575 5.853 0 40 IKAB O=C1CCCCC[C@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 12521871 KRMFXPCIDJEKLY-HXUWFJFHSA-N 427.957 5.494 0 40 IKAB Cc1cc(Sc2nnc(-c3cccnc3)n2-c2ccc(Cl)c(Cl)c2)nc(C)n1 12523545 PJRWINCGESUWNU-UHFFFAOYSA-N 429.336 5.194 0 40 IKAB Cc1cc(C)cc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 12870283 SMJWSYHLFFZHQK-MRSBXDGLSA-N 436.548 6.070 0 40 IKAB COc1ccc(OC)c(CNC(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1 12925277 ZTPFVFHQAKZQBE-UHFFFAOYSA-N 428.488 5.264 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1 13017779 PFWRVWTWTGVCIK-SFHVURJKSA-N 431.923 5.289 0 40 IKAB CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 13025635 AQDUPAAMUPMKDX-QFIPXVFZSA-N 438.549 5.187 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 13163275 GBUXZIKVSPDXKV-HSZRJFAPSA-N 446.551 5.500 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)C(C)C)c2)cc1 14831769 MWTPHCROCPSHRQ-UHFFFAOYSA-N 441.597 5.367 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 15833680 MKIJLJGJMYLAGA-FQEVSTJZSA-N 445.563 6.021 0 40 IKAB O=C(O)c1ccc(CNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16401604 BSZRTHRHKMBVRT-UHFFFAOYSA-N 444.300 5.155 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 17096781 DUHLEGQBURVALG-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)c4c(OC)cccc4OC)ccc3Cl)nc2c1 17100829 ZYISHUDCOFMROU-UHFFFAOYSA-N 436.895 5.980 0 40 IKAB O=C(Cc1cccs1)N1CCC(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 19373972 ZNTPYPUZQVBNPC-UHFFFAOYSA-N 440.572 5.216 0 40 IKAB Cc1ccc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1C 19928057 FOOCLTXJNXOMRQ-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB O=C(Nc1ccc(O)cc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20718243 YLMMKFYZMFVVNC-DEOSSOPVSA-N 426.516 5.083 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(F)cc1 22073874 DARBAPDGJQZJBI-UHFFFAOYSA-N 443.990 6.515 0 40 IKAB Cc1cc(CN(C)C(=O)c2cc3c(C)nn(Cc4ccc(Cl)cc4Cl)c3s2)no1 25137124 FEDDUEDHVQAQSH-UHFFFAOYSA-N 449.363 5.330 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)sc2c1 32119008 TTXLPTOVSJRQBE-GXDHUFHOSA-N 437.634 6.289 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)Cc1csc(-c2cccs2)n1 32925825 YXGOMASZNYSFSO-UHFFFAOYSA-N 448.573 6.005 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@H]21 34138851 FJGWBBGQOFPIDQ-CLOONOSVSA-N 434.492 5.246 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1ccc(F)cc1Cl 35400611 ZXYFZUIZFQBXAC-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N(C)CCOc1ccccc1F 36391792 VFRPHBNNGGTWPR-UHFFFAOYSA-N 446.931 5.252 0 40 IKAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2nc(-c3cccnc3)nc3sc4c(c23)CCC4)C1 40149316 DIMMTJPZPIAQTM-ZIFCJYIRSA-N 433.625 5.084 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)cc1 57472593 QDFKIWYNBQYONG-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1ccccc1SC(F)(F)F 58180307 YJSUJPFJTMMNBU-UHFFFAOYSA-N 428.382 5.803 0 40 IKAB CCN(CC)C(=O)c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1 59843049 SLDVSEXXNVYBTP-UHFFFAOYSA-N 442.140 6.046 0 40 IKAB Nc1c(Br)cc2nc(-c3ccc(Cl)cc3Cl)oc2c1Br 70461362 MMFGQJYHFILGAZ-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB CCOc1ccc(-c2cc3c(=O)n(Cc4c(F)cccc4Cl)ccn3n2)cc1Cl 72329625 JABWZRPZTNKJTK-UHFFFAOYSA-N 432.282 5.056 0 40 IKAB CC(C)(C(=O)NCc1ccnc2ccccc12)[C@H](O)c1cccc(OCc2ccccc2)c1 89621125 ORJCYCUPBXVRNK-AREMUKBSSA-N 440.543 5.190 0 40 IKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Br)c1CO 95451241 VAIFQIMVTORBJA-OAHLLOKOSA-N 426.310 5.014 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1)[C@@H]1C[C@H]2CC[C@@H]1C2 102118992 OAYISQICTHPCKE-MFWIUBMPSA-N 442.603 6.027 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)OCC(=O)c1cc2ccccc2o1 102188060 JZCIGPAUOLLMGF-ZNAOMFPMSA-N 431.326 5.283 0 40 IKAB CCCOc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1OC 102877361 HZYPSYKSPBDQBY-SANMLTNESA-N 448.563 6.296 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106721306 WEXIBSSWSINTBM-LPXFMOJISA-N 436.360 6.407 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1C 107917964 CSENRVUZOHWWBP-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1 214568739 KLHDQOKENANEEM-YBFXNURJSA-N 444.339 6.798 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222893919 HVWKCPYBLKGGGO-UXHICEINSA-N 432.376 6.031 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 222985361 VQZZTDOIYIIMDO-NLFFAJNJSA-N 430.548 5.591 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 223013584 KRPXZNNGOWDIFP-IBGZPJMESA-N 446.827 6.162 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 223024289 JJQJVSVCCACWQS-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223072721 MDCDMFNNWRBNMQ-UXHICEINSA-N 443.031 5.728 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223404300 DWJSETHTFKJCJR-QFIPXVFZSA-N 429.004 5.221 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 223540254 DVUQMXFTOYAVAI-IBGZPJMESA-N 436.577 5.158 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224181798 ZMDGLQYHTLMKSP-DHIUTWEWSA-N 441.512 5.217 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 224299105 WXZZUPYJOVTPGY-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224393287 HVTXMEJTENBAAU-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(Cl)cc1Cl 224526362 NUZHMSZNQGXFHY-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc2ccccc12 224637549 IRVMQXMVCCHPDH-LJQANCHMSA-N 443.518 6.448 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 225134705 ZPQVYLHABVZPNN-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225207254 WLVJGEOYBVDXOT-RUZDIDTESA-N 438.587 5.323 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 225602851 JRLOFRJABRKDFT-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257286370 PLHUXBLFBINPLN-QFIPXVFZSA-N 431.467 5.427 0 40 IKAB CC[C@H](C)/C=C(\C)CCC[C@@H](C)/C=C(C)/C=C(\C)C[C@H](C)c1oc(=O)c(C)c(O)c1C 257791139 ZPFTUJZLXSKBKE-FTJSVIRHSA-N 428.657 8.147 0 40 IKAB biogenic Cc1ccc(SCc2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc2)cc1 408545850 ARIISZYEKKMEAP-UHFFFAOYSA-N 435.898 7.212 0 40 IKAB CC1CCN(C(=S)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)CC1 408975989 DHZOQUCKJNEFHD-UHFFFAOYSA-N 440.576 5.183 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc(Cl)c1 409069964 MLBZMOOHDILFSE-UDWIEESQSA-N 439.298 5.670 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1F 409117547 OJYLZZNCSZWOEL-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CSc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c1 409386844 NSKZGMVXRYBPPD-UHFFFAOYSA-N 448.573 5.093 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccccc3Cl)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264790 NHEIZLOZGBEZES-HTUUBCJYSA-N 444.955 5.690 0 40 IKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3cccc(Cl)c3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242565 WRZFBQKAMVEMRB-RDMBEQIISA-N 439.962 5.515 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 884614 RAXLZGZPRUTMND-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB CCCc1nc2ccc(NC(=O)C3CC3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 1331498 QDWHIYKTNMYZHK-UHFFFAOYSA-N 437.543 5.413 0 40 IKAB CCc1ccccc1N(C(=O)C(F)(F)F)[C@@H](C(=O)NC1CCCCC1)c1cccs1 1365844 SIDFNXUPOVVPJW-LJQANCHMSA-N 438.515 5.396 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C 1378365 VEPMFQAYWWGFJP-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 1432449 LPWHVFOMTTXQGR-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1815302 ZRIWLYAEHSYKDS-UHFFFAOYSA-N 446.978 6.618 0 40 IKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCCC4)c(C)c1 2182009 CTUUXVHMJMNMSX-UHFFFAOYSA-N 446.641 6.294 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2409055 PNXJUOZIIITCMD-OAQYLSRUSA-N 446.528 5.323 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccc2)cc1 2450035 LWAMAVQHQUEOOU-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccnc1 2625130 OCHJWUAWHSISSH-LJQANCHMSA-N 447.608 5.125 0 40 IKAB O=C1CN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 2685919 ZMGDTOSRMXOYPC-NRFANRHFSA-N 445.733 5.831 0 40 IKAB CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1 2715791 HFHLPFCHGRPOCG-UHFFFAOYSA-N 445.540 5.314 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1c(F)cccc1F 2767086 DFMGTUAXXDZSKJ-UHFFFAOYSA-N 443.515 6.420 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1C 3304159 ZWBOSCBXNACADH-UHFFFAOYSA-N 430.533 5.141 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 3486675 FJVRXTJLQCZUGQ-UHFFFAOYSA-N 432.691 5.567 0 40 IKAB Cc1cc2oc(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)c(C)c2cc1C 3655635 KCYMPBGAFGGJGC-UHFFFAOYSA-N 441.458 6.727 0 40 IKAB COc1ccc([C@@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 6880809 IQTMFCORBKTZJE-SANMLTNESA-N 425.532 5.076 0 40 IKAB C1=C(c2ccc(-c3ccccc3)cc2)N2C(=NN=C(c3ccccc3)[C@@H]2c2ccccc2)S1 8398235 GSPXACBGIFHMGG-NDEPHWFRSA-N 443.575 7.216 0 40 IKAB COc1ccc(-c2nsc3c(SCC(=O)Nc4cc(C)ccc4C)ncnc23)cc1 8672013 VGMKZYYBDAMFNJ-UHFFFAOYSA-N 436.562 5.110 0 40 IKAB aggregator CN(Cc1ccc2ccccc2c1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 8734340 RYIVGNNDQARQIM-UHFFFAOYSA-N 442.588 5.108 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c(C)c1 8756142 FLSOFSAWRSKDRT-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 8798569 JYIWNOWFQQNUMD-WIOPSUGQSA-N 429.907 5.251 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(C(C)(C)C)cc3)sc2c1 8826755 OOVPYQNKCCCRAT-UHFFFAOYSA-N 446.641 7.447 0 40 IKAB Cc1cccc(-c2c(NC(=O)c3ccc(Br)cc3)oc3c(C)cccc3c2=O)c1 8836279 WUOCNWXUGAZVFQ-UHFFFAOYSA-N 448.316 6.092 0 40 IKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3C)CC2)cc1 9063128 YISLNQDROXBDKZ-UHFFFAOYSA-N 444.644 6.446 0 40 IKAB CCOCc1c(C(=O)Nc2nnc(SCc3ccc(F)cc3)s2)oc2ccccc12 9119788 KVXVXKLARZIEGG-UHFFFAOYSA-N 443.525 5.505 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1cccs1 9130613 GERJXTVPUVOFCK-SDNWHVSQSA-N 444.512 5.921 0 40 IKAB COc1ccc(C)cc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@@H]1c1ccco1 9469948 JFLHUZSVZXCIMM-HXUWFJFHSA-N 429.476 5.133 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1 9599257 LOVWNEOSCUDTDD-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1c(F)cccc1F)oc1ccccc12 9632265 UZHZJTNPKQRTDJ-LBPRGKRZSA-N 425.387 5.057 0 40 IKAB COc1ccc2c(Cl)c(C(=O)NCc3ccccc3CN3CCCC3)sc2c1Cl 9816992 SFQYZGNBUHYRJK-UHFFFAOYSA-N 449.403 5.743 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccccc3C)[C@H]2c2ccccc2OC)cc1 9865023 GYQFSFXRYWUVOL-BKMJKUGQSA-N 444.531 5.135 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)cc1 10315296 RLFQDJHQWPIYKS-UHFFFAOYSA-N 436.577 5.491 0 40 IKAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)cc1C 12062316 NRBMOODKNOXGHP-UHFFFAOYSA-N 437.609 5.083 0 40 IKAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccc(OCc2ccccc2)cc1 12376527 DVYZPXRWPGYQJU-STZFKDTASA-N 434.289 5.373 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 12661047 AYBBUNORLTWYBV-YUKGLXRHSA-N 443.441 5.697 0 40 IKAB biogenic Cc1nnc(CSc2nc3scc(-c4ccccc4)c3c(=O)n2Cc2ccccc2)o1 12766271 WAYVCQHFUBIINB-UHFFFAOYSA-N 446.557 5.157 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc(Cl)s1 13108148 JZKOUZJIKXKBOL-UHFFFAOYSA-N 438.043 6.126 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Br)cc3)c2n1 13148882 JDAAVIUKHZQZMH-UHFFFAOYSA-N 440.124 5.630 0 40 IKAB CC[C@H](C)/C=C(\C)CCC[C@@H](C)/C=C(C)/C=C(\C)C[C@@H](C)c1oc(=O)c(C)c(O)c1C 13312146 ZPFTUJZLXSKBKE-RCRUEILJSA-N 428.657 8.147 0 40 IKAB biogenic Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 13513271 RLRUXRKNOSTQJV-IBGZPJMESA-N 443.576 5.374 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(OCc2ccccc2Cl)cc1 13687678 YMYRKGACJRVHSM-UHFFFAOYSA-N 434.923 5.407 0 40 IKAB N=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1c1ncc(Cc2ccccc2Cl)s1 13759267 MVKUKLGZBHSCFG-GHSFWCQGSA-N 446.384 6.096 0 40 IKAB O=C(c1cccs1)c1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14118703 NUABPMMIXJNXIZ-INIZCTEOSA-N 432.570 5.609 0 40 IKAB Cc1cc(C)cc(-c2cc(NC(=O)CSc3nnc(C4CC4)o3)n(-c3ccccc3)n2)c1 14253557 ZWGNIVKIRHDSAU-UHFFFAOYSA-N 445.548 5.147 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3[nH]c(C)c(C(C)=O)c3C)ccc2OC(F)F)cc1 15544384 JWNJBXPGOJVGLN-UHFFFAOYSA-N 428.435 5.363 0 40 IKAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1F 16688752 PQQLWVSOYDYZRS-UHFFFAOYSA-N 443.902 5.445 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 16757509 CORMOPHCFGFPIX-OAQYLSRUSA-N 447.560 5.530 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4nc5cc(F)ccc5[nH]4)CC3)c2)cc1 19691080 WOBBLKAKQBKSIQ-UHFFFAOYSA-N 444.510 5.101 0 40 IKAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc(C(F)(F)F)c1 20765288 JCYSGPYPXUNQOT-UHFFFAOYSA-N 430.249 5.075 0 40 IKAB Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22277600 IBOCEOQGWSALNR-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 30945293 NJVMFLNXVFSBEC-HXUWFJFHSA-N 429.539 5.804 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623607 RTQNVOUROLUNMA-HNNXBMFYSA-N 449.894 5.472 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1N1CCCCC1 33401227 CFOVBBPQLYNJDJ-WYMLVPIESA-N 441.358 6.896 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCC1 33562455 UTAKRTHHZFCCFY-UHFFFAOYSA-N 439.968 5.229 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)[C@@H]1C=C(Cl)Cl 33569126 QPYIJOXHZNDIIG-MAUKXSAKSA-N 446.305 6.333 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccc(Br)cc1C(=S)N1CCCCC1 34967038 NQPDEQJFKDQCEC-FMIVXFBMSA-N 430.367 5.229 0 40 IKAB COc1ccccc1NC1(c2nnnn2-c2ccc(C(C)C)cc2)C2CC3CC(C2)CC1C3 35170763 JILXQNIXJIGORQ-UHFFFAOYSA-N 443.595 5.558 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SC/C=C/c2ccccc2)s1 35671493 BBRBQLPDSZCHQV-DHZHZOJOSA-N 434.546 5.559 0 40 IKAB Cc1nc(COc2cccc(C(=O)N(C3=NC[C@H](C)S3)C3CCCCC3)c2)cs1 48263584 IFONPIXBIPCKPP-HNNXBMFYSA-N 429.611 5.297 0 40 IKAB Cc1nc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2oc3ccccc3c2n1 57093280 WODJDEQWPWUFIY-UHFFFAOYSA-N 427.335 5.313 0 40 IKAB C[C@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)c(F)c1 58166809 ZMGGLEJLNQRBMA-ZDUSSCGKSA-N 425.460 5.284 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(OCc2cccnc2)c1 58316948 YYLZPCIKFLZVTB-UHFFFAOYSA-N 437.499 5.474 0 40 IKAB CCOc1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 67206928 WZTRFZIMKWDRKI-UHFFFAOYSA-N 429.339 5.280 0 40 IKAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c1 79019603 NKZQXZIPZVYFBS-UHFFFAOYSA-N 425.536 5.427 0 40 IKAB O=C(Nc1cc(Cl)ccc1C(F)(F)F)Sc1nnc2sc3ccccc3n12 96305836 FHIFYBVRKOXAJV-UHFFFAOYSA-N 428.848 5.940 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223077207 OWRWEBXTEFSBDR-UHFFFAOYSA-N 434.923 5.502 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl 223143574 MCDZNOUQIVPYKA-AWEZNQCLSA-N 433.986 5.507 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 223362924 BKXPEZGCLKKESN-SFHVURJKSA-N 449.422 5.486 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 223380892 VSAUTSCXVCHNCI-IZZNHLLZSA-N 444.648 6.178 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C 223472886 NEOGCLBSZXSKHU-RPBOFIJWSA-N 439.588 5.057 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c1 223763617 WETYONBZAYCIDB-JJWXFRNXSA-N 446.616 5.700 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224114227 RGSZVGKNBDRUSQ-XMMPIXPASA-N 438.637 5.094 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1OC 224248420 BPXHSTHNYDIYOO-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224406830 GWOFZFJXJOQOEB-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C 224443169 CWRGBBFDUGXWLL-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224818792 SLCGXRGYWAOHPQ-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)c1ccccc1SCc1ccccc1 224826609 OYHCGBIOAXIAIZ-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 224911887 LCAXYFTXSVOFAB-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225140725 SNCLMXBZAULUHC-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCSc1ccccc1 225152463 WIODSUGQWAUKIW-LJQANCHMSA-N 442.600 5.174 0 40 IKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)COc1cccc(C(F)(F)F)c1 225815401 LMIRJGSLEVTOSA-UHFFFAOYSA-N 447.457 5.090 0 40 IKAB C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C 247653897 OFMXGFHWLZPCFL-PTBFOHQESA-N 426.729 8.457 0 40 IKAB Fc1ccc(O[C@@H]2COC3(CCN(Cc4ccccc4OCc4cccnc4)CC3)C2)cc1 257252663 JVQGKXNOMYKKGM-VWLOTQADSA-N 448.538 5.002 0 40 IKAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257275594 NPZKPNXFZCHSMP-OAQYLSRUSA-N 426.948 5.352 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c1 257294003 QRZZVQAXSSKKMU-UHFFFAOYSA-N 446.934 5.945 0 40 IKAB CCCCCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)N=C2N=CNN21 408625060 HYQJZANTVHFEGX-XMMPIXPASA-N 445.567 5.126 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 409072232 JKUSYHTYHBXVGG-STZFKDTASA-N 437.973 6.728 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1C 409112909 GYMQOZRPSZMZMY-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB CCc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 409123530 GVULIMBIGFZHNY-UHFFFAOYSA-N 436.577 5.206 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409215091 ZQPDGZLBGVMUJO-STZFKDTASA-N 445.968 6.154 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)cc1 409229487 PVWDUXLGDGTSOW-YBFXNURJSA-N 427.287 5.655 0 40 IKAB CC(C)(C)NC(=O)C1(N(CCc2c[nH]c3ccccc23)C(=O)Cc2ccccc2)CCCC1 575443918 WYXWJRJINAJTDN-UHFFFAOYSA-N 445.607 5.009 0 40 IKAB CCCc1nc(CCc2ccc(C)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265002 BJXPQYSSAGGWOX-UHFFFAOYSA-N 438.365 6.255 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 642739 PLHQFIHIGVQEPR-LLVKDONJSA-N 443.135 5.016 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)C2CCCCC2)c1 648653 LIQRBGMGSHDVGS-UHFFFAOYSA-N 448.592 5.513 0 40 IKAB Cc1cc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)ccc1Cl 793886 KRHZLHIBVPWEIF-UHFFFAOYSA-N 449.963 5.783 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccccc1Br 886792 QTHOTTKOKNJQJE-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)c(F)c1 901556 JRZLYKDVPZESMQ-UHFFFAOYSA-N 431.411 5.233 0 40 IKAB Cc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccc(Cl)cc3)n2)cc1 932726 IMMFOMBZCPATGR-UHFFFAOYSA-N 438.936 5.977 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 1224689 LXVGUTSBEWDIBE-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB COc1cc(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)ccc1NC(=O)C(C)C 1264150 BUQWMYLGGZAONJ-VMPITWQZSA-N 437.323 5.257 0 40 IKAB COc1ccccc1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 1352937 GNXCBYCEYLYFHY-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB Cc1csc(NC(=O)CSc2nc3ccccc3n2Cc2c(F)cccc2Cl)n1 1381406 QTKDRMTYZHMBBZ-UHFFFAOYSA-N 446.960 5.373 0 40 IKAB Cc1oc2cc(OCc3cc(Cl)cc4c3OCOC4)ccc2c(=O)c1-c1ccccc1 1447946 ZEVFRJNITHUHOM-UHFFFAOYSA-N 434.875 5.867 0 40 IKAB biogenic COc1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1820175 VKEBNXCHYIPBQW-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)sc2c1 1891524 FDXUUAPCWHTSFL-UHFFFAOYSA-N 430.573 6.587 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 2074014 WGRPDNXBHAFHJC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1cccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 2123248 IKUYWKIHGQTCEW-UHFFFAOYSA-N 427.500 5.366 0 40 IKAB biogenic CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1F 2230990 FZKDTDKXLGKWFQ-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB COc1ccc(CCn2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1OC 2253118 JPOOPQHWTVJJNH-UHFFFAOYSA-N 444.922 5.560 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(F)cc3)c3ccccc23)cc1 2284351 MHOYSAHTTCJTST-UHFFFAOYSA-N 444.510 5.427 0 40 IKAB CCCCn1cc([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 2436398 CBBRMVMRGSPZJN-SFHVURJKSA-N 425.326 5.251 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2C)cc1 2449254 DVOTXUDIPKHFDO-UHFFFAOYSA-N 440.878 5.194 0 40 IKAB CCCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2[C@@H]1CCOC(C)(C)C1 2450766 YBIDGXYEKMQCHB-IERDGZPVSA-N 429.586 5.535 0 40 IKAB Fc1ccc(CNc2nc3c(-c4cccc(Br)c4)nnn3c3ccccc23)cc1 2713082 GTLFDKDWNDFUMM-UHFFFAOYSA-N 448.299 5.458 0 40 IKAB CCc1ccccc1-n1c(S)nnc1-c1cccc(COCC(F)(F)C(F)F)c1 2791749 MVIWMTPQJRBHTE-UHFFFAOYSA-N 425.451 5.202 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012860 QXMAFEYIHKQMRE-HIFRSBDPSA-N 445.228 5.696 0 40 IKAB NC1=C(c2nc(-c3ccc(Cl)cc3)cs2)CC(=O)N1c1ccc(Cl)c(Cl)c1 3298915 ZSRUFPBDQDBXRV-UHFFFAOYSA-N 436.751 5.835 0 40 IKAB CCCCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nc2ccccc2c1=O 3329198 MLUHZHQLMMXTHP-UHFFFAOYSA-N 436.364 5.234 0 40 IKAB COc1ccc(OC)c(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 3515396 DPYDQCKDKZNCDU-UHFFFAOYSA-N 427.541 5.094 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)oc2cc1C 3770746 REAHURGPBHGFFH-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 4994640 OCUUJCYZEABEMN-BWAGFHJFSA-N 438.634 5.507 0 40 IKAB Cc1ccc(-c2csc(Nc3ccc(Br)cc3Br)n2)cc1C 6280468 OVNGSIYZEZVXIN-UHFFFAOYSA-N 438.188 6.696 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1nc(SCC)ncc1Cl 8612055 LFBYCSKUGKKDEY-UHFFFAOYSA-N 447.969 5.400 0 40 IKAB COc1ccc(C(=O)Oc2cc(-c3ccc4c(c3)OCO4)cc(=O)c3c(C)oc(C)c23)cc1 8612507 OINZYOIIEKBFCQ-UHFFFAOYSA-N 444.439 5.033 0 40 IKAB biogenic O=C(NC1CCCC1)[C@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 8759077 UWJPSVYSHCDZFJ-SFHVURJKSA-N 449.982 5.124 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cccnc1Sc1ccccc1Cl 8857076 LTMLGHVZVQCOHT-UHFFFAOYSA-N 438.858 6.654 0 40 IKAB C[C@H](NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccccc1 8990915 QPRZSQOCGJVQTR-INIZCTEOSA-N 433.891 5.370 0 40 IKAB CCN(CC)CCCNc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9210567 LKTWJRFYNICJFP-UHFFFAOYSA-N 441.645 5.358 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3ccccc3OC)c(O)c2)cc1 9346403 UBWRHDZSQPISPE-UHFFFAOYSA-N 441.487 5.454 0 40 IKAB biogenic COc1ccc(CCNc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1OC 9429291 QCGODSQVNWEVFF-UHFFFAOYSA-N 431.448 5.415 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccc(Cl)cc1Cl 9516232 HLZZSFSUQHBVHP-UHFFFAOYSA-N 435.138 5.080 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(COc2ccccc2)o1 9578388 JNOAGCVQWZMKKR-UHFFFAOYSA-N 428.492 5.096 0 40 IKAB CCc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 9592290 YCLAQBJNUBDZNP-FQEVSTJZSA-N 434.492 5.318 0 40 IKAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCO2 9616429 FAXSVWLDGVECGZ-OAHLLOKOSA-N 431.517 5.055 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@@H]2c2cccs2)cc1 9679596 BCWAAQWPHPENFX-FQEVSTJZSA-N 435.530 5.126 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)cc1C 9752448 CQCXKNZICJPFCH-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c(C)c1 9752498 KCMMJJCPWXYSIF-UHFFFAOYSA-N 447.560 5.605 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Oc3ccccc3)cc2)cc1 10000177 HSQKHTZPYNWIER-UHFFFAOYSA-N 438.479 6.012 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)cn3c2C)c(C)c1 10069289 YMJZKBPRPPNADA-UHFFFAOYSA-N 448.592 5.787 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 10128901 PIDTWEVDCWDRAX-UHFFFAOYSA-N 427.500 6.200 0 40 IKAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccc(C(F)(F)F)cc2)c1 10186545 IGEIXASZRLJFBO-UHFFFAOYSA-N 441.384 5.104 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 10251127 KWYXRRPRPURRHQ-LBPRGKRZSA-N 432.332 5.776 0 40 IKAB COc1cccc(NCc2nnc(SC[C@@H](O)c3ccccc3)n2C2CCCCC2)c1 10373319 OQZMRSIPISDYQS-JOCHJYFZSA-N 438.597 5.230 0 40 IKAB CCc1ccccc1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 11120369 RAHIATGKQXUUDP-UHFFFAOYSA-N 434.561 5.187 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cc1 12461719 QRLLRWRHJXMYHG-BGYRXZFFSA-N 432.520 5.115 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccccc2)cc1 12482407 CYNFTXCKMIPUJP-UHFFFAOYSA-N 430.935 6.048 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c(Br)c1 12483899 FXVILEJKKXYJLE-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCc3nc4ccccc4c(=O)[nH]3)nc2c1 12546677 HANQMGPRRUKZCV-UHFFFAOYSA-N 425.513 5.439 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OCC 12627634 ZDLVOUKUJVZPIV-IBGZPJMESA-N 427.932 5.381 0 40 IKAB CCCc1ccc([C@H](NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)c2cccs2)cc1 12883472 WYNTYPRVEMVPSK-UPVQGACJSA-N 448.588 5.338 0 40 IKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2c(C)nn(Cc3ccccc3)c2C)cc1 13073037 INPMIDJNIJYJAT-UHFFFAOYSA-N 438.575 5.348 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)C1=CCCCC1 13131597 IGBKDXAIYGWONX-UHFFFAOYSA-N 436.556 5.472 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3c[nH]c4ccccc34)c2C1 13134655 XABMHDGTEBQAOG-QGZVFWFLSA-N 440.543 5.907 0 40 IKAB CCOc1ccccc1C(=O)N(c1nnc(-c2ccc(Cl)cc2)s1)C1CCCC1 13563277 CGMKTIWQSMTWEB-UHFFFAOYSA-N 427.957 5.847 0 40 IKAB COc1cc(NC(=O)[C@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc(OC)c1OC 13681486 RYOHDGROYXBPAG-CYBMUJFWSA-N 438.911 5.743 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl 13870942 MVALLPFZYDDABR-HOTGVXAUSA-N 444.988 5.061 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 13924052 XNNWAKOXNSZWDS-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13942453 UPSRTAGRGBASRX-SIBVEZHUSA-N 426.491 5.698 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 14833943 LADWXQZTWFKDGK-IZZDOVSWSA-N 436.364 5.258 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 16323118 ILHZEJYVIMDQDX-QFIPXVFZSA-N 445.950 6.207 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 16611195 ONPWGFKULIPBJY-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757851 XJCKPCUUDSJSBH-HNNXBMFYSA-N 437.952 5.785 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 17094343 VOXLNYOJVUOHFN-JTQLQIEISA-N 425.381 5.557 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1Br 17095108 WCWDBXMHSNJCAA-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 17097137 JJZLTTVLHNPPAJ-QGZVFWFLSA-N 430.573 6.803 0 40 IKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 17315058 NAZIUVMMNIGKJD-GOSISDBHSA-N 447.380 5.607 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)nc(-c3ccncc3)n2)C1 19081233 ZBCPMIOUUOHQJK-SFHVURJKSA-N 433.531 5.173 0 40 IKAB Clc1ccc2c(c1)[C@H](N1CCN(CCCc3ccccc3)CC1)Cc1ccccc1S2 19370902 MEDWDHFXMSTIMQ-RUZDIDTESA-N 449.063 6.339 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 19648257 PZWGKQBLFJQKOT-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 20352921 FPVFEIBTNZKHAV-CBSVSYFXSA-N 433.592 5.727 0 40 IKAB biogenic Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccccc5Cl)c4oc3=O)n2)cc1 20849015 ZACMERQVDFEUOE-UHFFFAOYSA-N 444.874 6.051 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc3ccccc3nc2Oc2ccccc2C)cc1 20849106 ZLKQFVRZMKHZOM-UHFFFAOYSA-N 429.545 5.447 0 40 IKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(C)cc23)cc1 22574403 VCILGXZETYPMCW-UHFFFAOYSA-N 436.964 5.950 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccc(SCc4cccnc4)cc3)c(C)c12 22991544 QQLCMLSGUIYCKV-UHFFFAOYSA-N 446.601 6.125 0 40 IKAB CCCCSc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 23077978 HTVXYRUDGFMRRX-UHFFFAOYSA-N 441.647 5.986 0 40 IKAB COc1ccc(CC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1OC 24969141 MYRIDXDYIRRNJL-UHFFFAOYSA-N 437.348 5.239 0 40 IKAB CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1OC 24977968 WQWVHEOAKFEUOK-IBGZPJMESA-N 433.982 5.658 0 40 IKAB CCN(CC)C(=O)COc1ccc(NC(=O)c2cc3ccc(C)cc3nc2C)cc1Cl 25123822 VBWXCXHKNPWWKK-UHFFFAOYSA-N 439.943 5.005 0 40 IKAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 25184846 JKFFPBPVDGNIPG-IFMALSPDSA-N 447.888 5.683 0 40 IKAB O=C(CSc1nnc(NCc2ccco2)s1)N1c2ccccc2CCc2ccccc21 32906017 IYAPCPKHLZVXFL-UHFFFAOYSA-N 448.573 5.299 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cc(C)ccc2C)cc1 33573741 NOPUUCMVWCPFFK-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)NCc3ccccc3)cc2c1 35289731 AULOQIYFDGYTBD-UHFFFAOYSA-N 446.938 5.204 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Br)cc2)C1=O)c1ccc(Cl)cc1 36403005 SNTILLIVFDJGEK-CXUHLZMHSA-N 436.714 5.022 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1)c1occc1-c1ccccc1 40152755 DMDKATRRVOWUJE-UHFFFAOYSA-N 436.464 5.139 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 44792039 YSLKEVWDCBSIBH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2c(C)nn(C(C)(C)C)c2n1 48288085 DLIUDXNUJWQQHH-HSZRJFAPSA-N 427.552 5.060 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1 57488460 RIKXJUHGUZGAHS-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(F)cc2)n1-c1ccc(Br)cc1 71327546 UKUDEKRGTKQGPQ-UHFFFAOYSA-N 447.354 5.641 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214649 ZYIMWBRSZJIAJR-OAQYLSRUSA-N 439.556 5.707 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 95966237 LJXWPIMHAHVOFN-UHFFFAOYSA-N 442.972 5.066 0 40 IKAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 96315928 WDCDPXOEENZEFH-JOCHJYFZSA-N 439.966 5.433 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccccc32)cc1 96837284 OUYKHQJCBMOASG-UHFFFAOYSA-N 425.576 6.597 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1cccc(F)c1 101373525 DBAXYIIMUYORRC-WTYVLRPYSA-N 440.518 6.786 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1 102475951 ZFZYIBJMDUUYFX-QLXKLKPCSA-N 430.935 6.978 0 40 IKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OCC)n(Cc2ccccc2)n1 103298869 XJTZXQCRGZFQEC-UHFFFAOYSA-N 442.515 5.761 0 40 IKAB COc1cc(CNc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107042522 XDNLCTHTZQCCIM-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1cc(Cl)ccc1OCc1ccccc1 219762016 QXFNTIMZYIINBZ-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 222707613 UDTZRKADCUXUDP-GOSISDBHSA-N 435.545 5.120 0 40 IKAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 223081687 KGPRSMZXQJSRHZ-MRXNPFEDSA-N 436.914 5.563 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)/C(=C/c1ccccc1Cl)c1ccccc1 223582461 GPUIRIXAPCRXLQ-NCELDCMTSA-N 427.931 6.229 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)c1 224246791 SPGBZTIAACPXNP-DNQXCXABSA-N 443.597 6.311 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224289442 RNCBUXIEBSMYOQ-RTBURBONSA-N 444.423 5.700 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224318406 BCDLKWSGHJSQSS-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccn(C)c3)cc2)cc1 224722149 ONYHGQXWDPRHTL-DQEYMECFSA-N 440.572 5.698 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224789059 HUNLJBMYZLPRLG-LJQANCHMSA-N 426.988 5.057 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Br)o2)c1 224899599 DKGGRYWRGSPHNH-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 225145454 FFFMNBBINJQGFE-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225188389 XXJDEWNHXCVNRK-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225281163 CEIAHHRIXOUTEM-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)[nH]1 225362617 XYIOFSDQWMLDOX-BJKOFHAPSA-N 432.593 5.525 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccccc1C 225716917 GRAPVIAOZNHFFP-NRPPHEFGSA-N 434.561 5.104 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC(C)C 225765212 IZSYVKWNLHSXER-UHFFFAOYSA-N 429.944 5.754 0 40 IKAB CC[C@H](C)N(C(=O)NCCCCCCNC(=O)N([C@@H](C)CC)[C@H](C)CC)[C@H](C)CC 230435598 IKUIGTIMDRBBOP-COPRSSIGSA-N 426.690 5.764 0 40 IKAB CCN(CC)C(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 408563822 RGDLPKPRHQIPFN-UHFFFAOYSA-N 425.381 5.347 0 40 IKAB Cc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)O)o1 408631448 JEWVHWUGVLPQCH-IUXPMGMMSA-N 437.304 5.482 0 40 IKAB O=C(N[C@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703461 GCDHIJOPRAQGMH-JAKCGFMDSA-N 440.996 5.033 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccc(C)cc1 409099240 QZUJUYWTNANZBW-JAIQZWGSSA-N 439.433 6.094 0 40 IKAB CCOc1cc(Br)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OCC 409127934 DCJRIFQIMICUTK-WQRHYEAKSA-N 444.369 5.790 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c(C)c1 409176547 QUEFWRCHFSMNQT-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)c(Cl)c2)C1=O)Nc1ccccc1Cl 409239885 RLPCMBZNVFLTNP-OVCLIPMQSA-N 441.723 5.322 0 40 IKAB CC(C)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409341399 BPMQWEUVJHLKJO-GDLZYMKVSA-N 432.567 7.176 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)C2CCCCC2)c(C)c1 409367080 DMTPYFJWYYUBGI-UHFFFAOYSA-N 449.016 5.227 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@@H]21)c1ccccc1 409371043 FMUIQNIANCYZIK-UBBRYJJRSA-N 434.333 5.153 0 40 IKAB O=C(CN(Cc1ccccc1)C(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl 970955 JUHRTZLNQDYWRF-UHFFFAOYSA-N 437.710 5.521 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 992739 GQIREZZYIMFHPH-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccc(Cl)cc1Cl)N1CCC1=O 1020796 ZWONSMVNQAIXMK-HSZRJFAPSA-N 439.342 5.173 0 40 IKAB CCc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2n1 1332525 CXZMSXTWKJNICD-UHFFFAOYSA-N 425.863 5.595 0 40 IKAB COc1cccc(C(=O)N(CCc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 1366437 OKXMRAATCWQLMI-UHFFFAOYSA-N 440.543 5.039 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(c2ncnc3c(-c4cccs4)nsc23)CC1 1370640 MKSCXPCKXGUQRO-UHFFFAOYSA-N 427.986 5.103 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)c1 1377442 VBDWGWKOEQKYRH-UHFFFAOYSA-N 440.594 5.265 0 40 IKAB CSc1nc2ccc(NCn3c(=O)sc4cc(Br)ccc43)cc2s1 1588728 JMTIATVGIWBFNL-UHFFFAOYSA-N 438.397 5.227 0 40 IKAB COc1ccc2c3c(n(Cc4ccccc4)c(=O)c2c1)-c1cc(OC)c(OC)cc1[C@H]3C 1631701 JDSKXNOKMRKBKV-MRXNPFEDSA-N 427.500 5.208 0 40 IKAB Cc1ccc(NC[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1Cl 1774332 DYFNXBOWOPNPLG-KRWDZBQOSA-N 433.766 6.536 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2593065 ORDJOOCHGZJTQY-SFHVURJKSA-N 427.500 5.991 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012742 JAGVVJLHFILJON-MOPGFXCFSA-N 430.430 5.113 0 40 IKAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O 3840623 JFAIKPVNVLPUTI-RSLISJKCSA-N 438.637 5.122 0 40 IKAB biogenic,in-vitro Cc1ccc(OP2(Oc3ccc(C)cc3)=NC(C(F)(F)F)=NC(C(F)(F)F)=N2)cc1 4285528 MUARUBZXJUSACG-UHFFFAOYSA-N 449.291 6.643 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 5180330 LDQGJZOUJXXAOB-NRFANRHFSA-N 425.532 5.253 0 40 IKAB O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 5813196 QWYCALYVYWPWLT-JNEFGXKCSA-N 434.535 5.006 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1C 6078527 ZAHQRUVMQWPNJL-UHFFFAOYSA-N 440.638 5.456 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1Br 8850942 RWLZMOJAJRPYCU-AWEZNQCLSA-N 431.355 5.087 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904048 KIVIPXXUIJRJDC-UHFFFAOYSA-N 446.341 5.508 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c(Cl)c1 9290930 VIAJQASPXKGQNU-YADHBBJMSA-N 448.313 5.193 0 40 IKAB CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308805 XYWBWHPBOCBHCB-LADGPHEKSA-N 446.392 7.069 0 40 IKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1C 9348739 HNNKAJASFAKZIJ-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)c1C 9364930 DOHRQHSGYCVCSN-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1)c1ccccc1 9451702 STMSUXKVJZBVPI-MRXNPFEDSA-N 431.517 5.050 0 40 IKAB O=c1c2c(-c3ccccc3)csc2nc(SC[C@H]2CCOCO2)n1C1CCCC1 9461840 LKFYZGPRGJZHFY-QGZVFWFLSA-N 428.579 5.095 0 40 IKAB COc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCC(C)CC2)cc1 9489472 LRMCRWGIYVPYMQ-QHCPKHFHSA-N 438.593 6.040 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@H]1CCCc2ccccc21 9491719 SXPMZNQIJMSYNF-UWJYYQICSA-N 444.560 5.202 0 40 IKAB Clc1ccccc1-c1nnc([C@H](Nc2ccc(Br)cc2)c2ccccc2)o1 9561396 QHTOMWNWFQSYDY-LJQANCHMSA-N 440.728 6.354 0 40 IKAB O=C(CSc1ncnc2cc(-c3ccc(F)cc3)sc12)NCCc1cccs1 9620768 GOFHTEFROBINTK-UHFFFAOYSA-N 429.567 5.010 0 40 IKAB COCCn1c(-c2ccc(F)cc2)cnc1NCc1cccc(OCc2ccccc2)c1 9720790 ZXVAZVILQOWDSX-UHFFFAOYSA-N 431.511 5.527 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc(CN2CCCCC2)cc1 10434098 RONPRRRSUOWSHS-UHFFFAOYSA-N 437.436 5.643 0 40 IKAB Cc1nc(Nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc2)cc(OC(C)C)n1 11613288 OJGGYWNNWFWNCU-UHFFFAOYSA-N 445.445 5.979 0 40 IKAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1C 12414525 KGMXEQUWWUYCJA-UHFFFAOYSA-N 435.886 5.112 0 40 IKAB CCCCCCn1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O 12659205 CHAUZNKOZNXREW-UHFFFAOYSA-N 426.973 5.570 0 40 IKAB O=C(OCc1csc(-c2ccsc2)n1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 12690378 SZGQEZQNWYOWET-UHFFFAOYSA-N 444.541 5.476 0 40 IKAB O=C(COc1ccccc1)Nc1ccc(Br)cc1-c1nc2ccccc2s1 12855135 WGXSLTBTUXTCHP-UHFFFAOYSA-N 439.334 5.743 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(C2CC2)n1C1CC1 13128224 WVOKHHPIBMUOEM-UHFFFAOYSA-N 442.972 5.155 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 13148259 RKQLIQFTTSHNIK-JOCHJYFZSA-N 449.403 5.145 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)cc1 13557377 PIHIAZFCYCQFEE-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 13564920 BJFCXIZHQBGJDA-UHFFFAOYSA-N 429.520 6.204 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(/C=C/c2ccccc2Cl)s1 13570688 IVPIODIXZIHXCR-VMPITWQZSA-N 425.728 6.313 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccc(Cl)c(Cl)c1 13716999 PRWKPXWGYJEWRW-UHFFFAOYSA-N 444.427 6.565 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1 14676168 BKFMNWYLCDHTLF-UHFFFAOYSA-N 431.323 6.068 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 15270065 SMGAKOQRPKSWRZ-UHFFFAOYSA-N 448.950 5.410 0 40 IKAB Cc1nc(SCC(=O)N(C)Cc2ccc(F)cc2)c2cc(-c3ccccc3)sc2n1 15277060 MMIXIEPWANLGLJ-UHFFFAOYSA-N 437.565 5.557 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 15588145 BVEZRVCEVANFBJ-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 15945385 LTXUMWFDKFJDBZ-IADSFHDUSA-N 448.544 5.904 0 40 IKAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1Br 16575726 ZKKABGVKGAYAJD-IZZDOVSWSA-N 433.371 5.108 0 40 IKAB Cc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(C)c3)c2Cl)c1 17094331 SXCUXDNRUQIBHC-UHFFFAOYSA-N 425.363 6.460 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc2c(Cl)cccc12 17098312 CVXLPJWZRRMDCO-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)cc(-c2nc3ccccc3s2)c1O 17101450 BZTMNFBPIMZMMI-UHFFFAOYSA-N 437.521 5.243 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc(-c2nc3ccccc3o2)c1O 17101755 GYSYNYMASPOJIK-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SCC)nn32)cc1 17307557 VHCCYOOHPXRUDI-NRFANRHFSA-N 449.580 5.025 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 20460270 BSJIOUCBAIEOPW-BVAGGSTKSA-N 448.588 5.571 0 40 IKAB CSc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969923 IFCUJIHVHKWZGS-QHCPKHFHSA-N 444.535 5.825 0 40 IKAB CCOc1c(Br)cc(CN[C@H](C)c2ccccc2Br)cc1OC 22777553 QWHCTNOFCVIMMU-GFCCVEGCSA-N 443.179 5.470 0 40 IKAB Clc1ccc2c(c1)[C@@H](c1ccccc1)Nc1ccc(Cl)cc1[C@@H](c1ccccc1)N2 23190957 VMAFQGYDGSQDGZ-CLJLJLNGSA-N 431.366 7.710 0 40 IKAB Cc1ccccc1-n1c(C)nnc1SC[C@@H](O)Cn1c2ccccc2c2ccccc21 25094504 OOAZNLXUDAPHGP-IBGZPJMESA-N 428.561 5.145 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2cccs2)no1 26012993 UVNQHGBOCJCTPK-ZDUSSCGKSA-N 427.555 6.008 0 40 IKAB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2F)nnc1-c1ccc(C)cc1 28047585 CFKAJRPPYLUGPC-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(N4CCCCC4)cc3)c2)cc1 30751014 TVKMGFLUUKSLKU-UHFFFAOYSA-N 440.587 6.458 0 40 IKAB O=C(Nc1ccc(NC(=O)c2sc3ncccc3c2-n2cccc2)cc1)c1ccco1 33171367 QNMNMUMINJNERQ-UHFFFAOYSA-N 428.473 5.185 0 40 IKAB S=C1N2N=C(c3ccccc3)SC2=N[C@@H](c2ccc(Cl)cc2)N1c1ccccc1 35077522 NLKHQEJWHQVHTJ-LJQANCHMSA-N 434.977 5.910 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccccc4C)c3)cc2)cc1C 49422213 MDUXHCIZCKUMRZ-UHFFFAOYSA-N 438.531 5.361 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)cc1)Nc1cc(Br)cc2cccnc12 59488851 IXZJOECOCAAQME-JLHYYAGUSA-N 429.317 6.316 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccncc1)c1cc(-c2ccccc2F)on1 65610660 KTXVAORBPDJBLU-UHFFFAOYSA-N 436.830 5.034 0 40 IKAB CN1C(=O)/C(=C/c2ccc(OCc3cscn3)cc2)c2cc(Br)ccc21 65623655 OALVHMDBSSYVEA-QGMBQPNBSA-N 427.323 5.002 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O)cc2F)cc1 72285146 ZEMVITPHVBFUKN-HZPDHXFCSA-N 437.602 5.053 0 40 IKAB COc1ccc(CN(C)CC(=O)Nc2ccccc2SC)cc1SC(F)(F)F 72305142 LTEOYFRXTFUNSF-UHFFFAOYSA-N 430.517 5.100 0 40 IKAB CC(=O)c1c(C)cc(C)c(C[S@](=O)Cc2csc(-c3ccccc3Cl)n2)c1C 84076893 OULSGILVPKUYNR-NDEPHWFRSA-N 432.010 6.040 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2c(C)cccc2C)cc1 109016194 YKOZPJXJNAGVIH-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223376061 HBRGYGJTMJWREL-DQEYMECFSA-N 440.572 5.054 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1C(C)C 223383484 VGCWNRUJJKPNIS-QGZVFWFLSA-N 431.598 5.054 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 223416170 ZPIXICHXZMNMLC-UHFFFAOYSA-N 442.603 5.351 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223813023 DMWGPQFDVHLAED-JOCHJYFZSA-N 434.624 5.527 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)c1 224137255 NOVFBRCKMLDVAC-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224388823 RZFUDYCFZDGJGM-IRXDYDNUSA-N 434.359 5.222 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(C(C)(C)C)cc1 224520841 UJIWEWQFKQTQNU-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224699092 MKMPDHRIUWUHAJ-QFIPXVFZSA-N 434.624 5.356 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)c(Cl)c1 224997418 LFIUJFQGWKRXMZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225170260 ZFGKQOANEYWCIO-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 225171091 CTGUBHRCCQLUQP-FQEVSTJZSA-N 438.587 5.187 0 40 IKAB O=C(c1cccc(C(F)(F)F)c1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262353 HEKRMAQPSFTLNL-LICLKQGHSA-N 433.480 5.412 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225458902 JUTWPPYENHSKQY-UWJYYQICSA-N 433.017 5.154 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225626429 QGDVFQOSSBSVPW-UHFFFAOYSA-N 439.625 5.021 0 40 IKAB CCOC(=O)c1cccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1C 225768827 IDXJCOZYTMEXPN-XMMPIXPASA-N 432.589 5.865 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 225798283 WBKGFAAPNPVBGF-NRPPHEFGSA-N 434.561 5.104 0 40 IKAB O=C(c1cccc(OCc2ccccc2)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363589 PEXBGNJCISHCNL-UHFFFAOYSA-N 443.955 7.362 0 40 IKAB CCCC(=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 257220481 DLAADOCAFHALDI-XQKXNWCXSA-N 437.527 5.095 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260812378 AVVRMCJSCIGUMF-NVQXNPDNSA-N 432.649 5.892 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1 408609908 PJHAXCQFBFFLKA-SFHVURJKSA-N 438.471 5.102 0 40 IKAB CC(=O)Nc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408618775 GMMHRVMWWXEOKD-UHFFFAOYSA-N 431.879 5.040 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)cc1C 408698342 MORYKHONEXLCLW-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1Cl 408849416 YINXJQAMOFISTP-MHWRWJLKSA-N 428.227 5.150 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1ccc(C)cc1 409017687 VPOHNKBULKOIJZ-FYJGNVAPSA-N 448.906 5.333 0 40 IKAB COc1c(Br)cc(Cl)cc1/C=C1\C(=O)Nc2cc(C(F)(F)F)ccc21 409095493 BICWSMLGDOQZKX-XGICHPGQSA-N 432.623 5.623 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 409369753 GBUDSJXHDBGEDM-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1ccccc1CCc1nc(N2CCC[C@H]2Cc2ccc(Cl)cc2)ncc1C(=O)O 585266741 GNURIMTUDQFYQL-NRFANRHFSA-N 435.955 5.133 0 40 IKAB COc1ccc(-c2nc(N(C(=O)CCc3ccccc3)c3ccc(F)cc3)sc2C)cc1 643391 KCKZHMCDBLPBJB-UHFFFAOYSA-N 446.547 6.564 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)cc1 712569 HFWJYPSNKCBHED-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB Cc1ccsc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)C(F)(F)F)c1ccc(F)cc1 800140 SHNRULHSVSAYRG-KRWDZBQOSA-N 442.478 5.281 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 843742 XCOZNINUYMLPRZ-UHFFFAOYSA-N 441.325 5.844 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882112 DMIXZSYJEOXTHZ-LJQANCHMSA-N 428.941 5.055 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931842 XFFUGFCKLBAVFU-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)NC3CCCCC3)cc2c1 1327259 ZSDVCWLXLCIEKO-UHFFFAOYSA-N 447.579 5.144 0 40 IKAB CC(C)(CO)NC(=O)Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1 2204137 KPVNUOWWAHVTRP-UHFFFAOYSA-N 444.600 5.270 0 40 IKAB COc1ccc(CCn2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)cc1OC 2249195 NXLPGJBFZXPDRM-UHFFFAOYSA-N 428.467 5.046 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 2347733 WGYFONHHMIYEFW-UHFFFAOYSA-N 430.507 6.733 0 40 IKAB CCCc1ccc(C(=O)[C@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 2659294 OGCGBQVQCPJJMZ-IBGZPJMESA-N 445.584 6.447 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 2742982 QOUCQXFPQZKCTL-LJQANCHMSA-N 447.391 6.631 0 40 IKAB O=C(Nc1c(F)c(F)cc(F)c1F)c1ccn(COc2cccc(Cl)c2Cl)n1 2788381 AFJKNBNLDMYGOF-UHFFFAOYSA-N 434.176 5.035 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 3011622 AOKRXBYQBKYXIW-QUCCMNQESA-N 444.457 5.421 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)c1C 3292370 GOFOMYJXZLILLJ-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB CCc1ccc(OCc2nnc(SCCOc3cccc(C)c3)n2CC(C)C)cc1 3297147 LQWOWCZNSDALLZ-UHFFFAOYSA-N 425.598 5.555 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 3865108 SMNNPRYAEDCRGM-RJWJPKLOSA-N 447.531 5.964 0 40 IKAB Cc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1 6144047 NCLSUCSNIBYBRQ-UHFFFAOYSA-N 441.314 6.769 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC3CCCCC3)cc2c1 6197821 VLRIBXUTYXHGNP-UHFFFAOYSA-N 433.621 5.300 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cccc(Cl)c3C)nc(-c3ccccc3)nc12 6860539 RFEFNUIKINNODN-UHFFFAOYSA-N 447.991 6.552 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928851 OUYPUGHXPWTLJL-RBBKRZOGSA-N 427.544 5.528 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 8426743 POSPTOJRPFMJEK-FYYLOGMGSA-N 443.761 7.198 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 8431666 WBKNHCQLPMRUBW-LTXCWQKFSA-N 426.947 6.777 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC45CC6CC(CC(C6)C4)C5)c3n2)cc1 8454548 GMJYXQPIXXQJHF-UHFFFAOYSA-N 436.506 5.341 0 40 IKAB CCn1ccnc1S[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 8719938 SWBNLNUQTBFYFU-KRWDZBQOSA-N 439.890 6.047 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)cc1 8752251 CTVIRQMDPSVJJU-LJQANCHMSA-N 445.950 5.598 0 40 IKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 8753403 JXAOVSYESIPEFJ-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CC(C)Sc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CC[C@@H](C)C4 8768541 ZASUWYAAGASVHQ-GFCCVEGCSA-N 445.013 5.374 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 8817707 XKOKCFHMUZBEQI-OAQYLSRUSA-N 430.379 5.739 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8831523 PTRVPGQLRYBNFU-UHFFFAOYSA-N 449.403 5.827 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1 8902922 NBVRWJRDOWOLMG-UHFFFAOYSA-N 432.523 7.538 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(O)ccc2Br)N3)C1 8919473 FKNKZPSWMNBJEP-ZMZPIMSZSA-N 449.414 6.186 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)c1 9295687 YEUQNYZAHXVXOP-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB Cc1c(C)n(-c2nccs2)c2ncn3nc(CSc4nc5ccccc5s4)nc3c12 9304252 KNTIAGNALMCZDG-UHFFFAOYSA-N 449.590 5.044 0 40 IKAB CC1=C(CC(=O)Nc2ccc(C)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 9341776 VVIANGXMUNAWNB-WNUOTAKCSA-N 445.559 6.228 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1 9343850 CJCCILQCQUDVHM-UHFFFAOYSA-N 428.488 6.116 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)cc1 9414035 PYCILWNLZRCMGT-UHFFFAOYSA-N 434.879 5.990 0 40 IKAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nnc2sc3ccccc3n12 9452975 DZHLVWGTMUFFFT-OAHLLOKOSA-N 436.606 5.664 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2scc(-c3cccs3)c2c(=O)[nH]1 9586858 RMHXDQAEAGLMHS-UHFFFAOYSA-N 428.560 5.217 0 40 IKAB O=C1CCSc2ccc(C(=O)Nc3ccc(Br)c(C(F)(F)F)c3)cc2N1 9595386 BGCVZHUNELFMTE-UHFFFAOYSA-N 445.260 5.155 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(Cl)cc1 9664616 DVAIRZISGVZPGN-UHFFFAOYSA-N 426.973 5.047 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(OC)cc4)nn(-c4ccc(OC)cc4)c3c2c1 9675990 YIOTUCBMXMASAE-UHFFFAOYSA-N 425.488 5.657 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccccc2)cc1 9679159 XIIJYTCJAOJPJO-HSZRJFAPSA-N 444.332 5.897 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H]1c1nc2ccccc2s1 9861915 YRRJTCPZEAQSSP-QGZVFWFLSA-N 425.966 6.051 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 9975318 HDYICDIMWQFKEA-IBGZPJMESA-N 438.527 6.091 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3cccs3)o2)cs1)c1ccccc1F 10125799 OSNOMXAVZXFRHJ-UHFFFAOYSA-N 432.527 5.371 0 40 IKAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cc4ccccc4cc3OC)sc2c1 10461178 QCHSXYPZOVJIMV-UHFFFAOYSA-N 449.576 5.065 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 12192708 YPGOBGGEMLQKLB-NOZRDPDXSA-N 447.376 6.815 0 40 IKAB Clc1cccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1Cl 12378397 UDRWMRXGPCPWQR-UHFFFAOYSA-N 438.177 6.723 0 40 IKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1c2ccccc2Sc2ccccc21 12483392 CFPIWAAJGOVNIW-UHFFFAOYSA-N 428.365 7.651 0 40 IKAB CSc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561637 ARYRJVRHRUXSRY-SQJMNOBHSA-N 430.529 5.422 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12578844 HIZDSOSFHNTUCZ-XMMPIXPASA-N 429.886 5.962 0 40 IKAB COCCn1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 12777495 KCMFKEBTVWFUDC-CYBMUJFWSA-N 436.364 5.262 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)Nc1cccc(NC(=O)c2ccco2)c1 12781132 FDAUVATTYJRRBE-UHFFFAOYSA-N 430.420 5.021 0 40 IKAB C[C@@H](NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 12799010 AXWZTEIHEJKHLP-DPTHPHEISA-N 437.337 5.314 0 40 IKAB CCc1ccc(NC(=O)CCN(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 13145786 COUOVRDBUGHTMD-UHFFFAOYSA-N 436.577 5.090 0 40 IKAB COc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccoc2C)c1 13512076 PJWHZPYLJAPGSY-UHFFFAOYSA-N 448.548 5.192 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)c1 16269216 CVVUBUPCWYPBJU-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2cc1C 17095959 YKWYPIDSFHKJIQ-UHFFFAOYSA-N 428.532 6.427 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)nc2cc1Cl 17101978 PLGVDBHVGKGELZ-QPJJXVBHSA-N 438.361 5.138 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17102014 MYIBBPXWGNWYDX-UHFFFAOYSA-N 438.405 6.129 0 40 IKAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1sc2ccccc2c1Cl 18019813 VVYRRXFIGILJSK-UHFFFAOYSA-N 437.746 5.028 0 40 IKAB COc1cc2c(cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 19082014 GNZBKWQBIWCSPJ-SANMLTNESA-N 449.639 5.085 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19236814 ADGJBNCZRZMHMZ-CJFMBICVSA-N 435.518 5.052 0 40 IKAB COc1cccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4ccccc4C)C[C@H]23)c1 19237243 NWGNYRBGHFDYHC-JCYYIGJDSA-N 440.587 5.134 0 40 IKAB C[C@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19463357 FSDMSBUNAOBSQO-WOSRLPQWSA-N 434.487 5.186 0 40 IKAB COc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1-c1ccc(CO)o1 20138496 DMGIPROSVMNQSZ-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)cc3)o2)cc1Cl 20145503 TZTRHNUYFINFMB-JLHYYAGUSA-N 433.891 6.313 0 40 IKAB O=C(CSCc1cccc(Br)c1)NCCSCc1ccccc1Cl 20238274 CAMROEKHWWIHMQ-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 20482021 WZPGMESNPCKTIZ-HXUWFJFHSA-N 434.374 5.357 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccccc1Br 22072346 KOKCCRDAEALQHE-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)cc1 22511733 POXXXNYAEPHARU-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1cc(-c3ccccc3)on1)CC2 24601318 VUDDTIJCBRNGMX-RUZDIDTESA-N 432.545 5.568 0 40 IKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1OC 27345774 UZMLLYZRVQZCJO-KSEUIEODSA-N 431.558 5.009 0 40 IKAB Cc1c(C(=O)Nc2nc(-c3ccc(Br)cc3)ns2)oc2ccc(F)cc12 27795645 OMXOCLUXIBGRLQ-UHFFFAOYSA-N 432.274 5.414 0 40 IKAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1cc(-c2ccncc2)nc2ccccc12 31264674 NSRZCEVIIUIMPO-OAQYLSRUSA-N 425.488 5.107 0 40 IKAB O=C1/C(=C\N2CCCc3ccccc32)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 32690935 GDBJVXRLVUDOIL-SILNSSARSA-N 448.444 5.686 0 40 IKAB O=C1/C(=C\c2ccccc2OCc2ccccc2Cl)SC(=S)N1Cc1ccco1 35039219 CUUIHRBUGASIGL-UDWIEESQSA-N 441.961 5.913 0 40 IKAB CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 35647979 KKABQCMGNLSNSV-CXUHLZMHSA-N 426.847 5.649 0 40 IKAB Cc1ccc(NC(=O)C2=Cc3ccccc3/C(=N/Nc3ccc(Cl)cc3C)C2=O)c(C)c1 38818273 CHRHXWGDUQCJJJ-KRUMMXJUSA-N 443.934 5.686 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39757910 XZZAHSCQZFPBKH-UHFFFAOYSA-N 436.958 5.597 0 40 IKAB Cc1ccc(C(=O)Cc2cc3cc(Br)cc(Br)c3oc2=O)cc1 59474348 IBHYJXUWXBRERQ-UHFFFAOYSA-N 436.099 5.052 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)N4CCCCC4)c(F)c3)cn2)cc1 72294515 JCBOHGIEFCJZIM-UHFFFAOYSA-N 448.498 5.592 0 40 IKAB O=C(Cc1ccccn1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349504 ZLTSGILCYRDRKQ-UHFFFAOYSA-N 439.481 5.035 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 72354138 ZTPXZXMVSHDKMP-AREMUKBSSA-N 428.576 5.455 0 40 IKAB COc1cccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)c1 96324273 YUQUOVDRSJQLNX-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2cc(Br)ccc2F)c2ccccc21 101060449 RFDSFQKMKPWWDY-JOCHJYFZSA-N 438.321 6.839 0 40 IKAB N=c1c2c(ncn1CCCn1ccnc1)Oc1c(ccc3ccccc13)[C@@H]2c1ccccc1 101116828 LVYZNNTWFBQIKS-QHCPKHFHSA-N 433.515 5.088 0 40 IKAB C[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccccc1OC(F)F 105718452 TVIJPVRUFJECCF-WSACYYNKSA-N 442.344 5.589 0 40 IKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccccc3OC(F)(F)F)sc2n1 215757878 YLDXURKITQGXLN-UHFFFAOYSA-N 435.349 5.357 0 40 IKAB O=C(NCCSCc1ccccc1F)c1cccc(OCc2ccccc2Cl)c1 219843208 QENFVUUJDYQHBL-UHFFFAOYSA-N 429.944 5.721 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)cc2Cl)CC1 222719668 AQWVQXPKIJZGGV-UHFFFAOYSA-N 443.827 5.537 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223442724 VQPXOFVACLIUOO-ZEQRLZLVSA-N 432.593 5.180 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 223854103 RYVVUFMWKCENFY-ZEQRLZLVSA-N 432.593 5.498 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 224013456 GOIJPEULSQCSQP-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224231297 FGJLEZUCUOTZJH-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 224308933 IZGLGHOQLSTEJH-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 224309713 XNRUCVCGFKXLAB-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 224371363 LLEGDGBPDVIPNB-HXUWFJFHSA-N 439.606 5.505 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)ccc1F 224914188 DSRXGEKQICJWDM-ZEQRLZLVSA-N 434.584 6.013 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NC(c1ccccc1)c1ccccc1 225031041 IAPKZKJIKHXWHI-PLRJNAJWSA-N 436.511 5.265 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225116137 NAODTNGBBFHEPX-UXHICEINSA-N 445.003 5.139 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225302644 SRQDZZKFFVOEFE-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC(C)(C)SCCNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225351945 GGIDCPMDYYDEJM-UHFFFAOYSA-N 428.667 6.033 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCC(C)(C)OC)c(Cl)c3)CCCC2)cc1 225533097 NVAADDKMMFEKIG-UHFFFAOYSA-N 445.987 5.993 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225555399 IAGBTRWBNIERHU-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 225900017 RBOVMIJUKSDMEW-UHFFFAOYSA-N 437.282 6.132 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257265697 LZWUXFNLOMPHGU-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB CN1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc12 257334678 YGYRTBYLHDXKKV-XZZSEQHWSA-N 439.603 5.324 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1 408548406 QXBKLFYANQKBDR-UHFFFAOYSA-N 444.419 6.472 0 40 IKAB CCc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409173900 OWMWMFWUHASMOA-AREMUKBSSA-N 449.934 5.789 0 40 IKAB CCCOc1c(Br)cc(CNc2ccccc2Cl)cc1Br 409179701 UCUAHJRORXFCPX-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)cc1 409246303 APOZDZMKDOWHLI-WPWMEQJKSA-N 448.522 5.820 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1 409348723 SICHPYMWOQNQRM-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB Cc1noc(C)c1CC(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643582222 OXKMXIHQIPVPOZ-QHCPKHFHSA-N 447.579 5.282 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 902135 SNLPZKKPNCUPKQ-ZDUSSCGKSA-N 435.471 6.000 0 40 IKAB CCc1cc([C@H](c2ccc(OC)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 1298678 YHWWVGYVURCUCQ-VWLOTQADSA-N 448.632 6.393 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 1327635 WVKPCTUQWCKZJU-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB CCCCc1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(CCCC)cc3)c2)cc1 1865027 IRFRDRQYCNEAMI-UHFFFAOYSA-N 430.544 6.810 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OCC)C1c1ccccc1 2066967 YPAJHKBNDGDEAU-UHFFFAOYSA-N 448.563 5.031 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1 2090939 PJUCNHNJDLALKG-QFIPXVFZSA-N 436.349 5.836 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccccc1Cl 2290782 JQDUOINPSXLPRS-NDENLUEZSA-N 437.854 5.411 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CSc1ccccc1 2767058 VVAMRQWOKVFKKY-UHFFFAOYSA-N 431.966 5.976 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 2889716 ABTJLPORCHACSS-UHFFFAOYSA-N 440.735 6.414 0 40 IKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(OCc3ccccc3)cc2)cc1 3146972 QEKGQFRAKSLLBZ-UHFFFAOYSA-N 434.583 6.908 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)sc2c1 3240541 SDYNKAZAPCVJMS-UHFFFAOYSA-N 446.903 6.098 0 40 IKAB Cc1cc(-c2csc(NC(=O)[C@H]3COc4ccccc4O3)n2)c(C)n1Cc1ccccc1 3380633 MZGCFEJRYOFSHI-HSZRJFAPSA-N 445.544 5.055 0 40 IKAB CCOc1ccc(N(Cc2ccccc2)C(=O)c2nc(SCC)ncc2Cl)cc1 8612078 SKGPUXYBOSKHFH-UHFFFAOYSA-N 427.957 5.488 0 40 IKAB Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C(N)=O)c(C)c1C 8704922 AXAGZAAJODMGCV-QHCPKHFHSA-N 429.545 5.303 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)NCc2c(C)nn(-c3ccccc3)c2C)no1 8728333 RLIUSWJTBOPFMH-UHFFFAOYSA-N 432.549 5.008 0 40 IKAB CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(C)cc2)c(N)c1S(=O)(=O)CC 8756711 YXMBFYQHAQHYRG-UHFFFAOYSA-N 442.606 5.278 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1Cc1ccccc1 8828305 PQSJLPVWRALWBT-HXUWFJFHSA-N 445.950 5.285 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)C(c1ccccc1)c1ccccc1 8831358 WGNLIDBCGBJZJZ-UHFFFAOYSA-N 448.897 6.004 0 40 IKAB CN1C[C@@H](C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 8888311 GYOAHBGWMYFOGR-QZTJIDSGSA-N 434.750 6.435 0 40 IKAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8921739 VYWBWXWYMBRISX-LJQANCHMSA-N 441.484 5.091 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cc(C)ccc2C)cc1OC 9272671 VIFVCDFBLLZMRR-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB Cc1ccc([C@H](O)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 9375498 YWKQZWIISXPLLT-QFMXIAIUSA-N 443.568 6.133 0 40 IKAB O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCCCC1 9391709 RKPIGAOVFQQOBD-UHFFFAOYSA-N 443.410 5.557 0 40 IKAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 10368446 BMEWRAWADHUHET-UHFFFAOYSA-N 448.519 5.197 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 12899890 VQFBVZPHXRYAHE-UHFFFAOYSA-N 439.540 5.465 0 40 IKAB O=C1O/C(=C\N2CCc3c([nH]c4ccccc34)[C@H]2[C@@H]2OC(=O)c3ccccc32)c2ccccc21 13396081 GCABLUGXOGQONP-LAPKEYJLSA-N 448.478 5.148 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1cc(Cl)ccc1Oc1ccccc1 13899074 NJVCSOHQJAMONT-UHFFFAOYSA-N 426.950 6.473 0 40 IKAB COc1cccc(-c2nn(Cc3ccccc3)c(-c3cccc(OC)c3)c2Br)c1 13960501 BDQIROGOHCQLAU-UHFFFAOYSA-N 449.348 6.045 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1N1CCCCC1 14273133 IEIZBSQOKARZPO-PKNBQFBNSA-N 441.358 6.896 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(F)cc3)c2-c2ccccc2Cl)cc1 16311685 CTRKODJMASMHFY-UHFFFAOYSA-N 430.874 5.283 0 40 IKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 16757843 WTFZLHYXQROBRQ-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 17095834 GCYVGZVYBVFDNV-UHFFFAOYSA-N 428.488 6.116 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cccc(OCc2ccccc2)c1 17097419 BCWUIORPIHWTTC-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(OC)c(C)c2)n1 19525527 UCJYKEBVIOFESB-HSZRJFAPSA-N 444.579 5.104 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 19635266 QCWFRGUMAYFHDL-WEVVVXLNSA-N 442.125 7.317 0 40 IKAB O=C(O)c1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(Cl)cc1Cl 20139533 HBMLSMUKCITMGO-UHFFFAOYSA-N 435.115 6.465 0 40 IKAB COc1cc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144729 XUFGCHDFHBVLLT-GFCCVEGCSA-N 436.291 5.160 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc(OCc2ccccc2)c1 20144980 SSHCIYIAGQEMLB-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3ccccc3F)c3c(C)oc(C)c3c(=O)c2)cc1OC 20445538 CCSAXOTVJOJSEF-UHFFFAOYSA-N 448.446 5.452 0 40 IKAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)sc(C(=O)CC)c1C 20572792 NGVLHEYEMADCFY-CYBMUJFWSA-N 446.569 5.217 0 40 IKAB Cc1cccc(-c2noc(CNC(=O)c3cccc(OCc4ccccc4Cl)c3)n2)c1 22255373 OMGRRFJJFMUZHR-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB CCOc1cc(CN[C@H](C)c2ccc(Br)cc2)cc(Br)c1OC 22783618 KVANQRXQWWZWBU-GFCCVEGCSA-N 443.179 5.470 0 40 IKAB CCc1ccc(Nc2nnc(SCc3ccc(Br)cc3)n(CC)c2=O)cc1 28537068 VIDFIXBGHRSRSZ-UHFFFAOYSA-N 445.386 5.019 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)[C@@H](C)Oc4ccccc4Cl)cc3)n2)cc1 32623859 MJUSPIVFNKKNIE-OAHLLOKOSA-N 449.894 5.472 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 34138829 LLKDIIOWFJDXJK-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 34896500 NORJLKQFPRGHIQ-IERDGZPVSA-N 431.985 5.484 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccn(Cc4cccc(C)c4)n3)cc(C3CC3)nc21 36615796 GEHNNNZZBRRDDU-UHFFFAOYSA-N 442.567 5.223 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 57313526 BGMHXIDWGIIWMD-LQATUXICSA-N 445.588 5.852 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 57316986 DFJSCJKCGNIMIV-WYMLVPIESA-N 441.516 5.327 0 40 IKAB O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(Cl)cc1 67206677 UGLXUHDMLQUFRD-UHFFFAOYSA-N 447.947 5.753 0 40 IKAB CC(C)c1cccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)c1 71326255 KNSCAHKRBKTWFC-UHFFFAOYSA-N 431.627 5.184 0 40 IKAB O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(-c2ncccn2)n1 72307973 ZZACNJJOVIEYPP-LBPRGKRZSA-N 433.333 5.079 0 40 IKAB COc1ccc2c(c1)c(CN1CCC[C@@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C 72375777 FQRKMDUUBKUSRD-XMMPIXPASA-N 442.567 5.497 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1C 78820665 PONBULMXDJVGQE-GOSISDBHSA-N 444.457 5.220 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 95471997 ZQZTXMMALHYGMC-UHFFFAOYSA-N 449.963 6.080 0 40 IKAB CC1(C)CC[C@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)C(=O)CC[C@]54C)[C@@H]2[C@@H]1OC3 100151080 XGDVSJLOTVQNKY-QRXOTGRWSA-N 440.712 7.446 0 40 IKAB Cc1ccccc1N1C(=O)/C(=C\Nc2ccc(Br)cc2)c2ccccc2C1=O 101075691 DVLCOJYJKVNSRD-ZHZULCJRSA-N 433.305 5.398 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H]3OC(C)(C)O[C@]32C(C)=O)C1 118917416 UHBMRCJLSUUKRV-MPCBYJQLSA-N 432.601 5.050 0 40 IKAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC 222661716 UIVBBVXNWZSUCK-XPGWFJOJSA-N 431.989 5.512 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222769883 PNTYUWGEGRUZNI-MRXNPFEDSA-N 435.395 5.213 0 40 IKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 222876232 VMUDNZHMBVSOCH-UHFFFAOYSA-N 427.375 5.675 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223059051 DRPBPIZVWVOBSG-VWLOTQADSA-N 448.994 5.252 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 223305824 COWJWFKIRMTNBW-TUACAJSNSA-N 438.641 5.157 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1ccccc1CC)S(=O)(=O)c1ccc(C)cc1 223557689 PIXQDYMWDKQPJX-NRFANRHFSA-N 444.641 5.085 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223952003 LKRHSJCZSDYTDX-KDYMBEQYSA-N 446.572 5.030 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(N2CCCCC2)nc1 224003071 GFLUDRLOLMDIDA-UHFFFAOYSA-N 443.060 5.914 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 224069908 XDSJXWPQRKRQNW-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1 224136406 OVXDMLLNAYWALT-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224146536 OXINCTLTHSNDPD-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 224309539 IRCOVYJPVSBGOU-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224347480 BUXVXPKHODDDFH-JWQCQUIFSA-N 425.557 6.081 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)ccc1F 224909864 OLXYYASFLSEZSM-ZEQRLZLVSA-N 429.520 5.966 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 225069687 BSHBXGUXPXCXHD-UHFFFAOYSA-N 428.157 5.027 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225157892 KIIPLOXMRQWXRQ-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225225720 WKNBVCDWCCOARM-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225384298 XUHLBBHMAOUTGW-VWLOTQADSA-N 438.612 5.085 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225512289 UGWSKXKPFIOCMX-DHLKQENFSA-N 438.612 5.185 0 40 IKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557550 IOZJJANOJFDKEU-UHFFFAOYSA-N 434.407 7.240 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1snnc1-c1ccc(Br)cc1 225784085 OSDMEFRGQXVGNB-UHFFFAOYSA-N 428.233 5.239 0 40 IKAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)n1 225828737 BYHDKWWFOGFDTM-UHFFFAOYSA-N 446.601 5.824 0 40 IKAB C[C@H]1C[C@@H](C)[C@H](C)[C@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@H]12 257346837 APXOQDSIAUQKAU-XPYWQRSSSA-N 426.729 7.881 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1)N1CCCC1 408563074 TYRMMZTXVOEQET-UHFFFAOYSA-N 448.759 5.075 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(Cl)cc2)cc1 408696550 CDQZXBJEGMFKBL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccccc2)cc1 408699014 QVRSMYDWYNUYOL-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(C)c(C)c1 408832159 RLJCNMHGEXIQER-UHFFFAOYSA-N 440.612 7.150 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12 409111490 IYFWOAJMQUVEJE-UHFFFAOYSA-N 445.990 7.700 0 40 IKAB COc1ccc2ccc(OC)c(C[C@H]3SC(=O)N(c4ccc(Cl)cc4)C3=O)c2c1 409145124 MQKJMOYTKDBNAW-HXUWFJFHSA-N 427.909 5.322 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)cc1Cl 409184548 ZAPJINFXAHOXJU-PXNMLYILSA-N 439.295 5.116 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cccc4[nH]ccc34)CC2)C1 643573727 LANXJLSAZOSVSK-UHFFFAOYSA-N 445.607 5.128 0 40 IKAB COc1cc2c(c(OC)c1)C1(CC(C)(C)N2)CC(C)(C)Nc2cc(OC)cc(OC)c21 622418 BTOIFRHZTXSHES-UHFFFAOYSA-N 426.557 5.196 0 40 IKAB Cc1noc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1C 839195 LUONQXSNKYDHOL-UHFFFAOYSA-N 447.516 5.012 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848731 HYKYMRPGOFMKEA-STQMWFEESA-N 436.865 5.472 0 40 IKAB CCCc1nc2ccc(NC(=O)CC)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 930723 HPBLREUPBJYIQO-UHFFFAOYSA-N 425.532 5.413 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 985951 TUQDKSAFBYIILD-QFIPXVFZSA-N 430.595 5.198 0 40 IKAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4ccc(F)cc4F)n3)ccc2N1C(=O)C1CC1 1366476 GKORNBAQKNDOEL-GFCCVEGCSA-N 439.487 5.028 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1379967 TYBRTTBVHPXMKV-XMMPIXPASA-N 431.536 5.047 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)s1 1453770 UETCPJUTMOAIOM-YLJYHZDGSA-N 426.339 5.456 0 40 IKAB CCCOc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 1911967 MXVMLUCYOVVAKG-KRWDZBQOSA-N 448.544 5.218 0 40 IKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(C(=O)OCCC)cc1)CO3 2114248 XDRAZMPDATVMBP-UHFFFAOYSA-N 435.520 5.367 0 40 IKAB biogenic CCc1nc2sc3c(c2c2nnc(SC/C=C/c4ccccc4)n12)CC(C)(C)OC3 2233585 KKODUALZKVYQGH-DHZHZOJOSA-N 436.606 5.558 0 40 IKAB O=C(c1ccccc1)N(Cc1ccccc1)C[C@@](O)(c1ccccc1)c1ccc(Cl)cc1 2314603 ZKTHQYSODNXQEA-MUUNZHRXSA-N 441.958 5.919 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(Cl)cc1 2444145 SMSLICHFFQORQB-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CSc1nc(NCc2ccco2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2444227 GGKPCSBNHDKQOZ-UHFFFAOYSA-N 434.546 5.915 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(C)cc3)n2)cc1OC 2733342 PGYKQJKGRFVAGY-UHFFFAOYSA-N 430.504 5.549 0 40 IKAB O=C(CSc1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1)c1ccc(Cl)cc1 2949045 LCSPNRJJXAPGNJ-UHFFFAOYSA-N 441.890 6.280 0 40 IKAB CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 2974768 YSSRQQNALGWLKD-UHFFFAOYSA-N 437.478 5.929 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1sccc1SCc1cccc(C(F)(F)F)c1 3104164 DEUPVSDQFUWNLD-UHFFFAOYSA-N 429.435 6.590 0 40 IKAB O=C(Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 3128174 AHBXAUJARCHFCX-UHFFFAOYSA-N 443.277 6.811 0 40 IKAB O=C(CSc1ccc2ccccc2c1Br)OCC(=O)c1ccccc1Cl 3266398 UROWXEMOWQUNKG-UHFFFAOYSA-N 449.753 5.774 0 40 IKAB Cc1ccc(C(=O)[C@H](OC(=O)C2(c3cccc(F)c3)CCCC2)c2ccc(C)cc2)cc1 3362872 GQFCITGASPUEOJ-AREMUKBSSA-N 430.519 6.422 0 40 IKAB CC(C)[C@@H](O)P(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 3864902 ITBZCTBEJMCLOU-UYGUEYGGSA-N 430.610 7.109 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 4177327 CLQSTNBXINTVCK-OQGGWEOTSA-N 428.642 5.543 0 40 IKAB CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cc(Br)cc3C)c(=O)oc2c1 6078545 CEBIYBNQXKDAHT-UHFFFAOYSA-N 443.341 5.271 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc2c1 6300289 TYWNYGLLXSWWCE-IBGZPJMESA-N 433.621 5.525 0 40 IKAB O=c1/c(=C/c2ccc(Sc3ccc(Cl)cc3)s2)sc2nc3ccccc3n12 8396148 CTSATUSJSRSFQW-BOPFTXTBSA-N 426.975 5.323 0 40 IKAB Cc1ccc(Cl)cc1-n1c(=O)c2sc3ccccc3c2n(Cc2ccccc2)c1=O 8603923 UFSRKQFNSMSLJJ-UHFFFAOYSA-N 432.932 5.377 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc1ccc2c(c1)OCCO2 8690962 IJAZIJXQCWJPQD-UHFFFAOYSA-N 449.576 5.081 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)cc1 8810914 UAKNNYAKADLOQJ-UHFFFAOYSA-N 444.503 5.361 0 40 IKAB CCOc1ccc(/C=C/c2nc3ccc(Oc4ccccc4)cc3c3c2CCS3)cc1 8857216 JSMQUZPCLFQDLE-GXDHUFHOSA-N 425.553 7.244 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(Cl)ccc1Cl 9063971 GCESCOWTXCBLHU-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)noc2-c2ccc(OCc3ccccc3)cc2O)cc1 9129150 ZDWMEVMSXHFEAB-UHFFFAOYSA-N 441.405 6.321 0 40 IKAB biogenic CCCCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(F)cc3s2)cc1 9151884 MHYYBMNHPPUUMT-UHFFFAOYSA-N 429.561 5.213 0 40 IKAB COc1ccc(CN(Cc2ccco2)C(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 9204913 RKBFZJYOBOPENJ-GOSISDBHSA-N 427.928 5.555 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 9231894 HFKGOJRFXHNEIA-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)c1 9328013 STZYBLFSBZHPLR-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 9336833 KSSAANOUXAHASG-VWLOTQADSA-N 447.629 5.719 0 40 IKAB Cc1c(CCC(=O)NCCc2ccsc2)c(=O)oc2cc3oc4c(c3cc12)CCCC4 9409519 TWERNQQZSANCJG-UHFFFAOYSA-N 435.545 5.079 0 40 IKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccccc1C(F)(F)F 9442190 IHDLKAXMAJWVRH-UHFFFAOYSA-N 433.257 5.503 0 40 IKAB COc1ccc(-n2ccnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 9466597 LSZZMWMPZYLSJD-SFHVURJKSA-N 429.545 5.667 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(F)cc2)cc1 9599145 LUQIKJKFEVOBOW-UHFFFAOYSA-N 425.529 5.068 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 9664212 ICZODOKECNUROU-UHFFFAOYSA-N 443.981 6.459 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1C 9763362 RMZRQGLLJBGTFM-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 9779745 LYPPIHPRQAFBOM-UKILVPOCSA-N 447.376 6.815 0 40 IKAB C[C@@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ncc(Cl)cc1Cl 9958105 QVBPATAEKNXPPA-SECBINFHSA-N 428.341 5.770 0 40 IKAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)cc4)ns3)c(C)c2c1 11914340 NRDVRZYONZSTRI-UHFFFAOYSA-N 428.311 5.583 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(OCC)cc32)cc1 12485092 AAWQYTNCSVSQJE-UHFFFAOYSA-N 443.547 5.707 0 40 IKAB CCOc1ccc2oc(C(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)c(C)c2c1 12635021 QOATVTHDSLYSPO-ZDUSSCGKSA-N 435.398 5.343 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)c1ccccc1COc1ccccc1 12675567 YMPOOFBIZNHYMC-UHFFFAOYSA-N 433.533 5.430 0 40 IKAB Cc1ccc(-c2nc(CN(C)CC(=O)Nc3ccc(Br)cc3C)cs2)cc1 12784557 CEEGELYNNOZGSE-UHFFFAOYSA-N 444.398 5.260 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccc(F)cc4F)[nH]c(=O)c23)cc1 12977834 CYZZBSSXTOCEKC-ZDUSSCGKSA-N 425.504 5.397 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N[C@H](C)c4ccccc4C)c(=O)c23)cc1 12999958 YAKBTIQONNCZET-GOSISDBHSA-N 431.561 5.009 0 40 IKAB FC(F)(F)c1cc(-c2ccco2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn12 13644842 USSKIGPVWBNIDX-UHFFFAOYSA-N 431.761 5.379 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccccc3Cl)n2CC)cc1 13870847 YLBMKTPUJPGGBU-HNNXBMFYSA-N 444.988 5.385 0 40 IKAB O=C(NCc1cccnc1)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 13959928 WDXZEHDNTSDSPA-UHFFFAOYSA-N 447.688 5.244 0 40 IKAB C[C@@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 14129687 VIDCLXZWMHVBLU-SIGOSDGXSA-N 437.561 5.331 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(Cl)cc1C1CCCCC1 14185520 CEGOYOFTCWIJNJ-UHFFFAOYSA-N 430.932 5.372 0 40 IKAB CC(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 15833071 CPAAIKFIVBVSSE-UHFFFAOYSA-N 434.923 6.554 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1 16323105 QEFMDFJCDNTSGB-UHFFFAOYSA-N 425.337 5.116 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 16610646 YRLBDFGBBOMNRL-SFHVURJKSA-N 428.532 6.643 0 40 IKAB CCN(CC)c1ccc(Cc2c(C)nn(-c3c(Cl)cc(Cl)cc3Cl)c2O)cc1 16678529 DGRBUQQJIBDYOE-UHFFFAOYSA-N 438.786 6.284 0 40 IKAB Fc1cccc(Cl)c1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1 16757613 ZLKFODWIRFHPAH-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB Cc1ccc2c(nc3s/c(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c(=O)n32)c1C 18193039 HYCSWCUHJMRLLX-GRSHGNNSSA-N 441.339 5.641 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1 19690580 POGJQUVGMVILFY-DEOSSOPVSA-N 428.511 5.369 0 40 IKAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5Cl)o4)cc3)nn12 20096437 WIPDTJNPORYCNL-UHFFFAOYSA-N 449.923 5.005 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2s1)c1ccco1 20411051 GWJBDLPCAQNJEI-UHFFFAOYSA-N 447.903 6.201 0 40 IKAB O=C(OCc1sc2ccccc2c1Cl)c1occc1CS(=O)(=O)c1ccccc1 22020608 PYHJTSZOCBLQPD-UHFFFAOYSA-N 446.933 5.479 0 40 IKAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 22076723 OQWKTSAMHOWURI-UHFFFAOYSA-N 430.375 6.569 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(C2SCCCS2)cc1 25275368 ZPMQZTOOFMEJSK-UHFFFAOYSA-N 429.567 5.251 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2ccccc2)c1C 26770761 UJIVNHNEMRRHNL-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1 28402848 GRMNLNOYPVOFEH-QFIPXVFZSA-N 432.564 5.048 0 40 IKAB CCc1ccc(Oc2cc(N3CCC(C(=O)NCCC4=CCCCC4)CC3)ncn2)cc1 33311977 AJVGIPFPOKIIQE-UHFFFAOYSA-N 434.584 5.054 0 40 IKAB O=C(c1ccccc1NC(=O)C(Cl)(Cl)Cl)N(C1CCCCC1)C1CCCCC1 33628086 SSBNFHLQYZYWGW-UHFFFAOYSA-N 445.818 6.103 0 40 IKAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1 35042865 DUCHIILCVGFDFJ-NDENLUEZSA-N 437.908 5.641 0 40 IKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)n(C(C)C)n3)c12 36613598 HZPVDEMNAHNJQM-UHFFFAOYSA-N 428.540 5.004 0 40 IKAB COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccc(C)cc4OC(F)F)c23)cc1 36619493 AEQHRUHQKVVVHH-UHFFFAOYSA-N 439.418 5.369 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38848666 GRQCRSKHXNKGFB-UHFFFAOYSA-N 446.205 5.829 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395907 JEKXOKWIBQTQDH-YZVOILCLSA-N 435.959 5.319 0 40 IKAB Cc1ccc2oc(-c3ccc(/C=C\c4ccc(-c5nc6cc(C)ccc6o5)cc4)cc3)nc2c1 44069281 OKEZAUMKBWTTCR-WAYWQWQTSA-N 442.518 8.090 0 40 IKAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44909943 DLLSSHSKKRENRS-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1[C@H]1CC(c3cccs3)=NN12 51330294 NLNANYATVPQJFK-IIBYNOLFSA-N 442.327 5.404 0 40 IKAB CCCOc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 57313857 NXZFKHSSPVXGGU-UHFFFAOYSA-N 444.984 6.124 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cc(Cl)ccc1Cl 57317004 OHERHTUKQDJJNW-UHFFFAOYSA-N 425.109 5.946 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)Nc3cccc(CSc4ccccn4)c3)o2)cc1 58110514 WQUGDYQEGJHJOE-UHFFFAOYSA-N 429.545 5.909 0 40 IKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Cl)c(Cl)c1 59109436 OKFIUVVUBNSIKW-UHFFFAOYSA-N 429.225 5.640 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1)N1CCCC1 64471995 GGGREFDAUXBOOE-UHFFFAOYSA-N 430.733 5.630 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccsc2c1=O 67209139 JHAKAFJNRWJJGR-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1C 67294984 UIMZRMSWIIARTQ-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB COc1ccccc1-c1nnc(SCCSc2ccnc3cc(Cl)ccc23)o1 79051174 ZANWQQQOGINTJX-UHFFFAOYSA-N 429.954 5.831 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037765 RBJANKGWKUVDGJ-UHFFFAOYSA-N 437.547 5.079 0 40 IKAB COc1ccc(CCNC(=O)CC23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 101112721 GVDXVCXUDCIHJF-SUZCJKPRSA-N 433.592 5.291 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CCOc1ccccc1 106766867 YGTLGVRSMJMLGB-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 107552469 XQMMFHWGLTVXCM-UHFFFAOYSA-N 426.343 6.774 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914731 SFKSZNDXMPANHH-WSKNEJNJSA-N 444.700 7.030 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)cc1 214506776 BTQTWLMQHFFYKV-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB CN(Cc1ccccc1)C(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N 215679894 PAVLVCROWWHARR-UHFFFAOYSA-N 447.507 5.898 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 222411163 QHNGISYEFCQBHJ-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 223793787 LZENRPLMGZHAOO-UHFFFAOYSA-N 449.422 5.524 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccccc3Cl)cc2C)cc1 224090086 YVMMGPRBACRTDG-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 224138314 BLTWHTMYJHRECX-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1cccnc1 224155748 JPCFXSBKEHQTDR-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 224183653 DUYBMHHUKDDFRC-RUZDIDTESA-N 436.596 5.020 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224520131 FICFNUCZUWONPT-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(Cl)c(C)c1 224545503 PKVKKFRPALJKEV-UHFFFAOYSA-N 441.980 6.600 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2ccccc2CN2CCCC2)c2ccccc2)cc1 224758604 SBSRRBRQRWYNIP-ZXVVBBHZSA-N 426.560 5.148 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Sc3ccccc3)o2)cc1 224862091 YELDJRPLRXYBIV-UHFFFAOYSA-N 444.556 6.463 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225055168 OCZHLNXLZOHAQO-VXKWHMMOSA-N 440.653 5.177 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225604068 QEWUAEWTBLDPAJ-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 245377419 LCACYSALAAALAR-YJGRUCBDSA-N 434.536 5.015 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OCC 408557988 RFOIKYTURPDNEB-UHFFFAOYSA-N 425.912 6.572 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2ccc(C)c(Cl)c2)cc1 408699146 RMMZLNXBIOWEQI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699646 VKRGRHKWOIRHJF-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 408820661 XVSRLUZNZFAYPK-NVNXTCNLSA-N 428.724 5.892 0 40 IKAB Cc1cc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)ccc1Br 408980735 STRLKWPMPBBLCE-OAQYLSRUSA-N 437.337 5.257 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCN1C(=O)c1cccs1 408998462 LYQYPEFZLNXYQH-OMQIJLIKSA-N 434.605 5.459 0 40 IKAB COCCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1 409097614 MUXHGRFFSUJZFV-UHFFFAOYSA-N 428.772 5.844 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 409114177 DAFCHPCMLCABJM-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1Cl 409184953 ZEWFOWSCIRHWNU-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB COc1ccc(-c2cc(C(=O)NCc3cc4ccc(C)cc4nc3O)c3ccccc3n2)cc1 585295247 RSIRAPKMJCUSAK-UHFFFAOYSA-N 449.510 5.403 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1547212314 AYBBUNORLTWYBV-KEVHFVEUSA-N 443.441 5.697 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c(C)c1 673765 HBSCPEUTZVMGAK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)N(C(=O)CC)c1ccccc1-2 684696 CVKXLTVBYVCWOR-NRFANRHFSA-N 438.578 5.207 0 40 IKAB Cc1ccc(CN(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 800085 ODMXXASRLXOXGO-LJQANCHMSA-N 438.515 5.138 0 40 IKAB COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3ccco3)n2)c1 881034 SPDSTVOPNXEBMN-UHFFFAOYSA-N 434.517 5.310 0 40 IKAB COc1ccc(/C=C(/NC(=O)c2ccc(Cl)cc2Cl)C(=O)N2CCCCCC2)cc1 947487 FVKHRNACSUCCRJ-KGENOOAVSA-N 447.362 5.176 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccncc3)cc2c1 1367824 AEMNLCHQNMUTMT-UHFFFAOYSA-N 435.886 5.274 0 40 IKAB Cc1cccc(C(=O)N[C@@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)c1 2054627 TWAIORZXGLLPQO-OAHLLOKOSA-N 425.665 5.552 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(C(C)(C)C)cc3)c(C)c2oc1=O 2091533 HZHKEJSFFHCPQU-UHFFFAOYSA-N 436.548 5.782 0 40 IKAB biogenic CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 2093368 KSDSGOWTJONXRV-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB Cc1cccc(-n2ncc(SCc3ccccc3)c(SCc3ccccc3)c2=O)c1 2183690 IEEJJVRIVXKJQM-UHFFFAOYSA-N 430.598 6.126 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 2214794 WZJJCTZACSEJHD-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB COc1cc(-c2cc(-c3ccccc3)nc3sc(C(C)=O)c(N)c23)cc(OC)c1OC 2259450 ULKSOYIJCWGFJD-UHFFFAOYSA-N 434.517 5.441 0 40 IKAB CC1CCN([C@@H](C)C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 2292550 KHAKSADXWAYEPL-CCLHPLFOSA-N 439.043 6.282 0 40 IKAB O=c1c2cc3c(nc2nc(SCCc2ccccc2)n1-c1cccc(Cl)c1)CCCC3 2409312 ARBJITROWJJSMP-UHFFFAOYSA-N 447.991 5.648 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 2420053 KERSJGDMVABECF-FQEVSTJZSA-N 432.501 5.097 0 40 IKAB CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1cccc2ccccc12 2746609 MAULIHCOXSNGSX-VWLOTQADSA-N 437.499 5.150 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1ccccc1Cl 2767367 ZSKYNOUXEAHENN-UHFFFAOYSA-N 441.980 6.795 0 40 IKAB O=C(c1ccccc1)N(Cc1ccccc1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 3272352 FNXWAJNVJLHPNR-UHFFFAOYSA-N 443.550 6.382 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CC[C@@H](CC)C2 3354414 IRUILIXDVIGCHG-SAAWKEMMSA-N 443.565 5.109 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)c(C)n1C 3410917 BDSILWKAECDMKY-UHFFFAOYSA-N 440.956 5.170 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c(C)c1 3655428 IJKSVOOBBPBYEW-UHFFFAOYSA-N 447.918 6.260 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)NC1CCCCC1)CCCC2 3766253 QRFIHRUZZOPIMI-UHFFFAOYSA-N 447.000 5.360 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)C1 4482816 NFPKEWMHXBQXSX-PUSFFXHRSA-N 426.944 5.131 0 40 IKAB CCc1ccc2nc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)c(C)cc2c1 6135380 JKJYIRUNESVZMZ-UHFFFAOYSA-N 433.602 5.984 0 40 IKAB COc1ccc([C@@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 7059309 BAZZPSFUODTXCF-QFIPXVFZSA-N 425.315 6.086 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1-c1cnc2c(c1)COc1ccccc1-2 8448332 ZBATZGXNOJSBQM-UHFFFAOYSA-N 437.882 6.939 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1-c1n[nH]c(COc2cccc(C(F)(F)F)c2)n1 8781617 PDFDRIXWZSOKQM-UHFFFAOYSA-N 434.805 5.686 0 40 IKAB O=c1oc2ccccc2cc1C1=Nc2ccccc2N[C@@H](c2ccc(Cl)cc2Cl)C1 8863729 QYDJEDKLYIFGMR-OAQYLSRUSA-N 435.310 6.778 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)Cc4coc5c(C)c(C)ccc45)cc3)sc2c1 8869891 YWNVMTIVYNMATK-UHFFFAOYSA-N 426.541 6.816 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8871285 JVMJTPYZRLXXAX-LJQANCHMSA-N 445.950 5.657 0 40 IKAB O=C(Cn1c(Cc2ccccc2)nc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 9060094 YLRIKWXKMMQVGQ-UHFFFAOYSA-N 442.950 5.121 0 40 IKAB COc1ccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 9198295 DREUSARCWRVAEN-UHFFFAOYSA-N 441.603 5.284 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1ccccc1 9232687 GYSGCFDYIOLNSE-VWLOTQADSA-N 439.946 6.561 0 40 IKAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9327909 RRMKFAODZCXVSB-UHFFFAOYSA-N 440.396 5.616 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnc(C3CC3)n2C2CC2)c2ccccc21 9415115 VUOXVQCAGQICHT-UHFFFAOYSA-N 428.561 5.624 0 40 IKAB Cc1sc2nc([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)[nH]c(=O)c2c1C 9478234 IROHRPCGKUDQLV-GFCCVEGCSA-N 443.623 5.033 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1C 9515248 NDONKGYFYRBGSQ-ZDUSSCGKSA-N 437.487 5.249 0 40 IKAB Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc23)c1 9535127 RNDVDWSQZYBRSK-PMACEKPBSA-N 437.543 5.219 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1 9588949 FRPXULTUYHMOJX-UHFFFAOYSA-N 436.320 5.093 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 9613136 NPJWRHNGPXETLU-MHLWUJJFSA-N 436.983 5.286 0 40 IKAB Cc1ccc(-n2ncc3c(=O)n(CCc4ccc(Cl)cc4)c(-c4ccco4)nc32)cc1 9678230 QPWPITWYUYHUPW-UHFFFAOYSA-N 430.895 5.047 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc2c1CCC2 9846275 ARCLMPMUDGQECH-UHFFFAOYSA-N 440.373 6.187 0 40 IKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 9849539 KLXBMZTYAAMKJS-UHFFFAOYSA-N 436.511 6.563 0 40 IKAB CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1cc(C)ccc1C 9941317 NKYVRIODRBGPIU-UHFFFAOYSA-N 449.554 6.254 0 40 IKAB COc1cccc(NCc2nnc(SC[C@H](O)c3ccccc3)n2C2CCCCC2)c1 10373318 OQZMRSIPISDYQS-QFIPXVFZSA-N 438.597 5.230 0 40 IKAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@@H]3CCSc4c(F)cccc43)s2)cc1 12622626 VIAJAZSMLVHDPY-GOSISDBHSA-N 428.554 5.445 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1coc(-c2ccc(C)cc2C)n1 12866557 BRHRSUWHGOHPLK-UHFFFAOYSA-N 431.458 5.438 0 40 IKAB CCOc1c(Cl)cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1OC 12976825 MBRZCINJGJCVLY-CQSZACIVSA-N 430.957 5.377 0 40 IKAB CC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 13026975 JVJPQPSOCZAUMC-WUVIJCSQSA-N 434.561 5.245 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccccc2C)cc1OC 13060884 FLYLWMLFOHFJCN-JQIJEIRASA-N 439.515 5.517 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 13084524 OAIBJIKIHVGUQP-UHFFFAOYSA-N 433.964 5.667 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(S[C@H](C)C(=O)NC2CC2)n1C1CCCCC1 13113240 RLPWZPHDQLRAKD-OAHLLOKOSA-N 449.020 5.083 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1 13117542 JLYFIZYLSPZDNE-AWEZNQCLSA-N 440.594 5.300 0 40 IKAB Cc1cccc(-c2nc3c(c(SCC(=O)c4ccc(Cl)cc4)n2)COC(C)(C)C3)c1 13556964 IIJFOGQJBJJPSX-UHFFFAOYSA-N 438.980 5.932 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3cccs3)nc2-c2ccc(OC)cc2)cc1 13566626 LNUCJWJMFDDMPM-UHFFFAOYSA-N 449.557 5.259 0 40 IKAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](c1cccc(Cl)c1)C3 13638337 XXPNULXAIFBYAU-QGZVFWFLSA-N 447.922 5.117 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13758317 YFVWOIWAXGDSFA-BWKNWUBXSA-N 448.906 5.710 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)Nc4ccc(Cl)cn4)o3)cc2C1 14184811 NEEZFOATUCOYHA-WDEREUQCSA-N 434.974 5.091 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C)c1Cl 14397375 VJVZMIDNINJWDK-INIZCTEOSA-N 440.893 5.092 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(OC)c(O)c(OC)c2)N3)C1 15946213 CNQLMTYELNUCMS-RBZFPXEDSA-N 430.570 5.441 0 40 IKAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 16088192 JKWRFXGZWHAWQC-GFCCVEGCSA-N 427.378 5.171 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)C(c1ccccc1)c1ccccc1 16477713 XVQZRTHQAHUCSX-UHFFFAOYSA-N 438.918 5.845 0 40 IKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)n1 17097828 RRKYAWXMDWBHNP-SOFGYWHQSA-N 432.332 5.483 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc2c1-c1ccc(F)cc1 20672735 XIBDQMJHZQKNSE-UHFFFAOYSA-N 443.404 5.072 0 40 IKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 22073939 UNFLCGJHGVVIOL-MPVQEXEOSA-N 444.446 7.267 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)NCc2nc(-c3ccccc3)no2)c(C(C)C)c1 22255270 ZWHUNMQWPCOXME-UHFFFAOYSA-N 441.597 5.585 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1sc2ccccc2c1Cl 25275531 YSXYPOFFAZYHAA-MDZDMXLPSA-N 427.913 5.650 0 40 IKAB CC(=O)Nc1s/c(=N\c2ccc(C)cc2)n(-c2ccc(C)cc2)c1-c1ccc(C)cc1 28405626 OFZJHQBCIWNLDH-SGEDCAFJSA-N 427.573 6.322 0 40 IKAB Cc1nc(CSc2ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c3ccccc3)cc2)cs1 29009315 BCNYBWQNBLDWDW-HZPDHXFCSA-N 440.590 5.167 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)c1 32093874 DLSSNFIZHVOHIM-QGZVFWFLSA-N 445.306 5.345 0 40 IKAB COc1cccc(CCC(=O)NC[C@@H]2CC3c4ccccc4C2c2ccccc23)c1OC 32721815 INRANNKFHJQYOH-BSWOLJSYSA-N 427.544 5.050 0 40 IKAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 33268627 VLCWODFCEUVFFV-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB Cc1ccccc1NC(=O)CSC1=N/C(=C/c2ccccc2)C(=O)N1c1ccc(F)cc1 33502864 MLNCGSQMQGGERT-PXLXIMEGSA-N 445.519 5.250 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1ccc(C)cc1)C(C)C 33647814 CTFLTRGGVTVHKT-HXUWFJFHSA-N 443.016 5.679 0 40 IKAB Fc1ccc(COc2ccc(-c3noc(COc4cccc(Cl)c4Cl)n3)cc2)cc1 35316227 XHDUHLAPMOZFBB-UHFFFAOYSA-N 445.277 6.341 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44905114 SHWBXHLBCLVGBQ-OAQYLSRUSA-N 439.968 5.174 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 57316221 XCKVAWFLHBMBJI-UHFFFAOYSA-N 434.330 5.202 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 59500414 GNTDGAJRAGDPMV-QQNJPBSNSA-N 448.349 5.954 0 40 IKAB biogenic O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(Nc2ccc(F)cc2)CC1 69493600 PXDXHLGWLMFWDS-UHFFFAOYSA-N 432.417 5.821 0 40 IKAB CCCCCCc1cc2cc(-c3nnc(-c4ccc(C(C)(C)C)cc4)o3)c(=O)oc2cc1O 69871452 HTVMLBOIAMAFPB-UHFFFAOYSA-N 446.547 6.636 0 40 IKAB S=C(Nc1ccccc1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 71330699 XLYOWMBYOMGGMM-UHFFFAOYSA-N 444.610 6.896 0 40 IKAB Cc1ccc(-c2csc3ncnc(N4CCC(c5nncn5C5CC5)CC4)c23)cc1C 89643326 COJFQCAUQAPAMB-UHFFFAOYSA-N 430.581 5.286 0 40 IKAB COc1cccc(NC(=O)c2ccc3onc(-c4csc(-c5ccc(C)cc5)n4)c3c2)c1 96154506 BUVOTDZDQRFYKC-UHFFFAOYSA-N 441.512 6.188 0 40 IKAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 100205698 KQZLKBYFISFSCW-OYRHEFFESA-N 442.648 5.052 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864328 MOXDDWKSQCILQK-GDSVCOIWSA-N 430.598 6.237 0 40 IKAB C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101531105 SPFMYGMPPCZEPK-HSQHZFGBSA-N 432.490 5.098 0 40 IKAB COc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1OC 102536413 YCRKYTQXBNKZAK-HSZRJFAPSA-N 436.552 6.201 0 40 IKAB COc1cc(C(=O)Nc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(C)cc1 107858887 DOXNQRBHPAIHTH-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB CCOC(=O)[C@@H](Oc1nc2ccccc2nc1/C=C/c1ccc(OC)cc1)c1ccccc1 108125942 UQURDOWIBQJHNM-XPGGBCAFSA-N 440.499 5.492 0 40 IKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1C 218907702 HAYTVVISYLVTOH-HXUWFJFHSA-N 426.354 5.865 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 222703940 QKIQXLSLTNFAFQ-QHCPKHFHSA-N 447.579 5.387 0 40 IKAB Cc1cccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222734349 VPMQXQFKJLKETF-LJQANCHMSA-N 445.003 5.139 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(C)cccc4C(C)C)ccc32)c1 223085531 SFHVBGMQUGLFPN-UHFFFAOYSA-N 426.560 6.272 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223104342 LKPINUKXIZVVGX-JTQLQIEISA-N 431.717 5.095 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223232206 OYTXHKKEKSVSLF-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 223835993 XWTDPXWSQXLWJC-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(COc4ccccc4)c3)ccc2s1 224093928 KGJLWUQTXWLHSB-UHFFFAOYSA-N 447.512 5.528 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224226825 OKISPDKDVGVXED-AREMUKBSSA-N 442.603 5.092 0 40 IKAB Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224267211 GSAVTXPABZKNFC-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224549972 FAMUTDBUYVMWQN-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(SC)cc1 224987920 IGMJUZNPQUWJGH-UHFFFAOYSA-N 441.662 6.092 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCC2)cc1 225531535 SRIBYIIIOFIOIG-OAQYLSRUSA-N 436.596 5.256 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3cccs3)c1)O[C@H]1CCCC[C@@H]21 245226186 JYQQAGGPXAPCLP-WYEJZRMESA-N 449.572 6.163 0 40 IKAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)C3(c4ccccc4F)CCCC3)n2)c1 257215091 COQZFXVWLGLGNW-XMMPIXPASA-N 445.538 5.467 0 40 IKAB CCCCC[C@]1(O)CCN(CC(=O)Nc2cccc3ccccc23)C[C@@H]1Oc1ccccc1 257266049 MBIVURTWTOYOGR-XCZPVHLTSA-N 446.591 5.243 0 40 IKAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3C)CC2)cc1 257289786 QAEGJXSBMZTPCO-AQYVVDRMSA-N 444.579 5.006 0 40 IKAB CCOc1ccc(Cc2ccc([C@@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1 257331979 XVETZLRSMTZISB-HSZRJFAPSA-N 432.539 5.159 0 40 IKAB CC(C)n1c(CN2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 257339169 ZAMAXNDJDIBMRI-HSZRJFAPSA-N 442.582 6.122 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC[C@@H]32)C1 257349039 LALAQRGFSWBMHR-QZZLJNRRSA-N 442.728 8.350 0 40 IKAB CCCOc1ccc(Br)cc1[C@@H]1SCC(=O)N1c1ccc(Cl)cc1 408557459 NQIADOPBUXPMSV-SFHVURJKSA-N 426.763 5.670 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408572233 FTGRVILSAXLTFL-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(COc2ccc(CNc3cccc(C(=O)O)c3)cc2Br)cc1 408608280 LBIGAIOQKHBVEQ-UHFFFAOYSA-N 426.310 5.647 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(OC)cc3)n2)cc1 408695077 OONJVCOAAQZSTA-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2cccc(C)c2)cc1 408699455 UIHYRFDMXMOBPV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1Cl 408918360 JOPPJWLZZFDWLB-LQDNNDEMSA-N 434.322 5.396 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1c(OCc2ccccc2F)ccc2ccccc12 409085615 CDMDUXAZECDUKD-MYYYXRDXSA-N 427.500 6.643 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 409109358 CBXMUWLKIKCFFS-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409110519 DIHRHFNFFPDXAW-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409150287 BERXIKWXFYQTSV-UHFFFAOYSA-N 435.380 5.643 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1-c1cccc(C)c1 409203282 VGDBMPQGUAKUCN-UHFFFAOYSA-N 436.625 5.102 0 40 IKAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)c1 409205043 NOUMGNRAHAUJIB-XKZIYDEJSA-N 431.875 5.521 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409345225 KJLMPOOTIYDONC-UHFFFAOYSA-N 447.347 5.574 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)C2CCCCC2)c(C)c1 409367166 HXUUPJMEDLDENQ-UHFFFAOYSA-N 449.016 5.227 0 40 IKAB CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](CCc3ccccc3)CC[C@@H]21 585263297 WCQLGSXTLWITCI-PAUTXSKSSA-N 428.572 6.906 0 40 IKAB O=C(Nc1n[nH]c(C(F)(F)F)n1)c1ccc(Oc2ccc(Oc3ccccc3)cc2)nc1 613341287 LMOXXDVADLFERA-UHFFFAOYSA-N 441.369 5.055 0 40 IKAB Fc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccc(Cl)cc1)CCOCCO2 643563339 RAEASCXABHOCEK-UHFFFAOYSA-N 425.931 5.481 0 40 IKAB CC(C)CC(=O)N1CCCCCCCCN(C(=O)c2cccc(F)c2)Cc2ccccc21 643589576 XHBDBRVTHVYPPN-UHFFFAOYSA-N 438.587 6.201 0 40 IKAB O=C(c1ccccc1F)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845558 BSTAQQGJBREYNB-MRXNPFEDSA-N 434.902 5.209 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2Br)cc1 2087187284 YMSCXEBQNMQYMB-RWEWTDSWSA-N 449.304 5.689 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1c2ccccc2CCc2ccccc21 882332 JLTVJOHZBCVSFS-UHFFFAOYSA-N 447.947 5.946 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)OCO2 900815 VMGNMCSPIGYNRD-GFCCVEGCSA-N 447.438 5.010 0 40 IKAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1cccc(C)c1C 916074 VDQVBEMBFAVBAL-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 1353151 ZPMZCTMUTWGZTB-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Clc1c(Cl)c(Cl)c(CSc2nc3ccccc3s2)c(Cl)c1Cl 1760542 XLMDXMPJMPJRKQ-UHFFFAOYSA-N 429.608 7.856 0 40 IKAB O=c1oc2ccccc2c(-c2ccc3c(n2)-c2cc(Cl)ccc2OC3)c1-c1ccccc1 2051037 JRJGDKFPNDRDQV-UHFFFAOYSA-N 437.882 6.735 0 40 IKAB O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccc(Br)c1 2088329 NJPUTOSAHPIMLR-UHFFFAOYSA-N 447.398 5.268 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2221107 LTXNLIURBNXLFR-INIZCTEOSA-N 445.544 5.799 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1ccc(Cl)cc1Cl 2288184 KOKLDRXHFDZICJ-UHFFFAOYSA-N 446.355 6.673 0 40 IKAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O)c1ccc(Cl)cc1Cl 2418168 JGHMAPQLEFWPOC-GFCCVEGCSA-N 446.721 5.602 0 40 IKAB CCOc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCC2)cc1 2546382 MGXBJVWFWFDPMC-DEOSSOPVSA-N 434.605 6.201 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c(C(C)(C)C)c1 2572829 KJYSXRBJOSZLEL-UHFFFAOYSA-N 438.652 7.801 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 3107859 FQDCNCJOURUKNF-HIFRSBDPSA-N 442.993 5.829 0 40 IKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Sc1cccc(C(F)(F)F)c1 3128588 POABJRPSHOEHSV-UHFFFAOYSA-N 442.915 6.601 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c(c2)Cc2cc(NC(=O)c4ccc(C)cc4)ccc2-3)cc1 3130076 PONUNVWHUULOET-UHFFFAOYSA-N 432.523 6.379 0 40 IKAB FC(F)(F)c1cnc(-n2nc(-c3ccccc3)c3ncc(C(F)(F)F)cc32)c(Cl)c1 3134965 PBRGXMUHUXIYIW-UHFFFAOYSA-N 442.750 6.174 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426983 JVRPBQRHDRDODB-VWLOTQADSA-N 442.544 5.171 0 40 IKAB CCOc1ccc(NC(=O)N(c2ccnc3ccccc23)[C@@H](C)CCCN(CC)CC)cc1 4522746 CTWDVVUAIREBKY-NRFANRHFSA-N 448.611 6.183 0 40 IKAB C[C@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccc(OCCC2CCCCC2)cc1 4691086 JZXHBPJWASZGTH-LJQANCHMSA-N 426.557 5.300 0 40 IKAB CCCC[C@](CC)(CCCNC(=O)c1cc(C)oc1C)CNC(=O)c1cc(C)oc1C 6273957 CMMKTPDMLWIPHM-RUZDIDTESA-N 430.589 5.633 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)c1ccccc1 8724670 CMDWIZKJFDVPMC-NRFANRHFSA-N 440.588 5.442 0 40 IKAB O=C(C[C@H](Nc1ccccc1)c1ccccc1)c1ccc(I)cc1 9239174 NRMDDYPFLXYQED-FQEVSTJZSA-N 427.285 5.717 0 40 IKAB O=S(=O)(/C(=C/c1cccc(Br)c1)c1nc2ccccc2[nH]1)c1ccccc1 9491619 PRAKMBJZYZAUAM-XSFVSMFZSA-N 439.334 5.297 0 40 IKAB COc1cccc(NC(=O)[C@@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)c1 9632150 LJULYLDRTGZORX-FQEVSTJZSA-N 435.574 5.789 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(F)cc4)c3c2c1 9675934 VCNFKNBYWQGCLY-UHFFFAOYSA-N 425.463 5.865 0 40 IKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn23)cc1 10119225 RYIUQWPVKDTMAQ-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB COc1ccccc1-c1c(C(C)C)nn2c3c(nnc12)C(=O)C[C@H](/C=C/c1ccccc1)C3 10156967 DQGGUGFEYNSYIG-JKIKYLSZSA-N 438.531 5.382 0 40 IKAB O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN23)cc1)c1ccccc1 11990361 QSLDPHPBAYCTKB-BVAGGSTKSA-N 436.467 5.741 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 12062107 IIADXAILRDKHTB-NRFANRHFSA-N 425.532 5.198 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12195438 LXXJZTMDCOKJQF-AOYPEHQESA-N 432.951 6.761 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 12567625 ZFZKHMFKNQOZAY-HXUWFJFHSA-N 435.593 5.077 0 40 IKAB Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c34)CC[C@H](C)C5)o2)cc1 12639413 VQGFYLKULVVNEV-AWEZNQCLSA-N 448.617 6.344 0 40 IKAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Oc3ccccc3Cl)c2c1C 13055908 GDBLIXJURQRIFM-UHFFFAOYSA-N 445.972 5.608 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)c(C)c2)cc1 13062830 FYNRTIDKDTXSCI-UHFFFAOYSA-N 432.520 5.397 0 40 IKAB Cc1ccc(N(C(=O)C[C@@H]2Oc3ccccc3NC2=O)c2nc3ccccc3s2)cc1F 13109299 XDYHKAVIMGJEEA-FQEVSTJZSA-N 447.491 5.198 0 40 IKAB Clc1cc(CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc2c1OCCO2 13114679 NTJFCYLSJSLZJG-UHFFFAOYSA-N 438.940 5.478 0 40 IKAB CCCCCC(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628829 TUPLCNJSVGBIEE-UHFFFAOYSA-N 425.598 5.630 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 13748557 JGSRVEJWRTVZMR-NHYWBVRUSA-N 429.945 5.766 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cccc(OC(=O)C34CC5CC(CC(C5)C3)C4)c2)cc1 13763478 NWIACDVRWGHNAT-UHFFFAOYSA-N 433.548 5.848 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@@H]21 13768589 RWYZGOSJNMNCMW-WXVAWEFUSA-N 444.531 5.653 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 13945764 JQBGBJTVBVIAKU-BCHFMIIMSA-N 431.580 5.436 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccccc1Cl 14068086 QFKMNRIQKIPODS-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1Cl 14070088 SVJYGRNKZJTEOE-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 15880662 KMKJUFBDRJRARX-UHFFFAOYSA-N 435.336 5.584 0 40 IKAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 15883836 KKTHBTRVVZARIH-UHFFFAOYSA-N 436.558 5.398 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 16194573 OFJYTZPIWQVIFF-ZHACJKMWSA-N 441.314 5.906 0 40 IKAB Cc1cc(NC(=O)c2ccc(Cl)cc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282449 YZUOUQGWDSCNDS-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3ccc(C(C)(C)C)cc3)n2)cc1OC 16323261 MNFXHKZINCLBMH-UHFFFAOYSA-N 426.538 5.142 0 40 IKAB Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1 16741411 KAQUPRBIKBECPV-QGZVFWFLSA-N 448.009 5.001 0 40 IKAB Nc1c(C(=O)N2c3ccccc3Sc3ccccc32)sc2nc3c(cc12)CCCCC3 18195380 RITMANFDVNQWBR-UHFFFAOYSA-N 443.597 6.591 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc3c2CCCC3)c1 19632180 LRMSCPDGQMWNOZ-SJORKVTESA-N 440.565 5.017 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(CN2CCCc3ccccc32)cc1 20488328 BBRIGJMFTFCXEZ-UHFFFAOYSA-N 439.328 5.793 0 40 IKAB COc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)cc1 21150371 MDQCSZOOGWNOFS-UHFFFAOYSA-N 432.833 6.129 0 40 IKAB CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)O[C@@H](C)C2 21837565 AORWZVMQLCGRAJ-ZDUSSCGKSA-N 428.941 5.367 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N2CCC[C@@H]2c2cccnc2)c2cnn(C(C)C)c2n1 22423974 YOGPCEVRFHMLGO-XMMPIXPASA-N 425.536 5.360 0 40 IKAB O=C(CSc1ncnc2ccsc12)N1N=C(c2cccs2)C[C@H]1c1cccs1 26959793 JNZDEPHTPODRFO-AWEZNQCLSA-N 442.616 5.284 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 28380843 XUWMUJWGPXVSRM-UHFFFAOYSA-N 430.573 5.984 0 40 IKAB C[C@@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1nc(C(C)(C)C)no1 31697080 SEZPIOCXULICBW-GFCCVEGCSA-N 426.567 5.196 0 40 IKAB COC(=O)c1ccc(/C=C(/C(=O)Nc2ccc(C)c(C)c2)c2nc3ccccc3s2)cc1 32704607 VXDFMFFTCGISKU-QNGOZBTKSA-N 442.540 5.879 0 40 IKAB Cc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 32754127 OCLLONJAWHHPGH-JYFHCDHNSA-N 426.560 5.364 0 40 IKAB Cc1cc(NC(=O)[C@H](SCc2cc(-c3ccc(Cl)cc3)no2)c2ccccc2)no1 32779145 SBDZMNFFWMFRLT-OAQYLSRUSA-N 439.924 5.905 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)c(F)c4)no3)nn2)cc1C 32951367 JUCBABCCPLAWFJ-UHFFFAOYSA-N 426.904 5.895 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 35125402 XEBQCCSOKZMEOG-UHFFFAOYSA-N 428.907 5.190 0 40 IKAB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35645974 YFVAEDRPHQOTED-WQRHYEAKSA-N 448.853 6.510 0 40 IKAB Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005187 NOZBPTIOMJQISL-OAHLLOKOSA-N 428.458 5.715 0 40 IKAB O=C(Nc1nc2cc(Cl)ccc2o1)C1CCN(C(=O)c2cccc3ccccc23)CC1 49609487 MFCMNPZUYMPMEW-UHFFFAOYSA-N 433.895 5.125 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3n2)cc1 59294037 QXYLQSVKMLPSDA-UHFFFAOYSA-N 442.563 5.823 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 59418132 ZVKFLCYHLXHPAM-HYARGMPZSA-N 435.476 5.654 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N(CCO)Cc1ccccc1Br 64520115 AHNOKGKKVRMRJA-UHFFFAOYSA-N 437.337 5.047 0 40 IKAB COc1ccc([C@@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=Nc3ccccc3N2)cc1O 68752398 DLTCPHBBTXCVBH-IBGZPJMESA-N 442.471 5.199 0 40 IKAB CCC(CC)(NC(=O)Nc1cccc(N2CCOC2=O)c1)c1ccc(Cl)c(Cl)c1 72271075 LOMMWWRKWQQHDJ-UHFFFAOYSA-N 436.339 5.787 0 40 IKAB CSc1ccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)cc1 72306909 UTNMXVKDXZBLOX-UHFFFAOYSA-N 445.388 5.884 0 40 IKAB C[C@@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 72427659 WZBIAAUHMSYMJG-OAHLLOKOSA-N 433.857 6.429 0 40 IKAB Cc1c(C(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCO2)oc2c1C(=O)CC(C)(C)C2 89568171 MTYUYHPUIVGAOU-HNNXBMFYSA-N 431.916 5.207 0 40 IKAB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101036239 YZORGGDPVBBSOO-SMIHKQSGSA-N 446.934 5.262 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C1=O 205782312 FJXJNKXZHWGHQW-OQLLNIDSSA-N 437.926 5.072 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1cc(F)ccc1OC 223694336 XAPDEZUZWGIZKF-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)c1 223950610 RZLRDISALURGRF-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CN(C(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 224347590 LXIHQSKLVWKTKW-UHFFFAOYSA-N 449.359 5.095 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccc(Cl)cc1 224348253 YHQPKJKGOZRACB-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441128 RFRIOTNEXZIQFI-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 224493967 SDDBEEZKFZSHAM-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225061077 YXILBYSUXPDJRJ-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OCC 225065369 OIFYEYDLSXQWHL-UHFFFAOYSA-N 441.980 6.682 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 225481463 NYDSEGNPKRNZGR-KNQAVFIVSA-N 445.003 5.058 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 225523521 UGSKULTYHULAFF-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4)cc3)CCCCC2)cc1 225542690 QFQPFVJUMFOLDY-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 225660307 JPTSTDWZNMKKIJ-CVDCTZTESA-N 444.616 5.171 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(C(F)(F)F)cc1 225804078 GTJHWOATOKBZHT-UHFFFAOYSA-N 429.320 5.346 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 225814717 KNGQJOLCHFCRII-INIZCTEOSA-N 425.912 5.427 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 225836367 PITDXQWYMUJQGY-UHFFFAOYSA-N 439.559 6.022 0 40 IKAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccc(Cl)cc2)on1 225899125 UUNMCLRLMCDTPN-UHFFFAOYSA-N 441.318 5.429 0 40 IKAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)C[C@H](C(=O)c2cccc(Cl)c2)[C@@H]1c1cccc(F)c1 257207659 BIQRTNIWYSGDJB-FHWLQOOXSA-N 447.890 5.113 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)c2c1 257271465 MYLCIIXTOWVHCU-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2)n1 257277280 NXETZLLKUIPMKK-UHFFFAOYSA-N 446.934 6.655 0 40 IKAB COc1ccccc1-c1ccccc1CN1C[C@@H](c2ccccc2F)[C@@]2(CCCC(=O)N2)C1 257289902 QASIACMOVUWETM-RBJSKKJNSA-N 444.550 5.140 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 257307261 SXXDHPAIEAISST-OAQYLSRUSA-N 438.531 5.320 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 257339001 YZUZQMYDVHMWOS-OAQYLSRUSA-N 448.582 5.136 0 40 IKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccc(Cl)cc1Cl 408528614 JZNXJIZHBQVXST-UHFFFAOYSA-N 437.282 6.462 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cccc(I)c2)cc1OCC 408533664 RJDQHURJCQRUKS-UHFFFAOYSA-N 439.293 5.121 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2C)c1OCc1ccc(Cl)c(Cl)c1 408571247 APSZRIRQYZDQCB-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CCC2 408576318 SGLMONUNMJTINY-HMMYKYKNSA-N 433.529 5.211 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(C)cc2)cc1 408697143 FALDRNYOZZTJPS-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 409137728 XCOXCYXGWITCPN-GRNBYLDVSA-N 439.342 6.136 0 40 IKAB CCOc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 409167429 KQHXEEOOACLWPU-GDLZYMKVSA-N 448.566 6.760 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409178744 HYEYMLHQFXWDLR-HNNVXOBOSA-N 442.990 7.197 0 40 IKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 409227888 SNHYKYMOCLADET-HYARGMPZSA-N 447.512 5.563 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409230669 FFFMNVSPMMJKHU-DEDYPNTBSA-N 431.941 5.764 0 40 IKAB Cc1cccc(C)c1NCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 877821 XAKDIAGBIHUITO-UHFFFAOYSA-N 428.561 5.471 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@H]1CCCO1 894928 OUVSEAYEADJGBC-JOCHJYFZSA-N 449.620 5.085 0 40 IKAB CSc1ccc(/C=C2/N=C(c3ccccc3)N(c3nc4ncccc4s3)C2=O)cc1 1084591 YRWTULFRSIBLPI-NBVRZTHBSA-N 428.542 5.248 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)cc2C[C@H]1C 1366624 XMKKKPRGXRQZDJ-CYBMUJFWSA-N 425.941 5.403 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C 1378363 AKVRWXPQICVSOX-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB CCOC(=O)c1c(C)n(Cc2ccco2)c2cc(-c3cccc(C(F)(F)F)c3)c(O)cc12 1405274 IJHPDBXICIFLJD-UHFFFAOYSA-N 443.421 6.159 0 40 IKAB COc1ccccc1C(=O)N(Cc1ccccc1)c1ccc(Cl)c(C(=O)OC(C)C)c1 1620891 ZQKUDMQDTFZXKI-UHFFFAOYSA-N 437.923 5.761 0 40 IKAB COc1cc([C@@H]2C[C@@](C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1643574 VIOSAMYWANJHLU-SIBVEZHUSA-N 449.503 5.184 0 40 IKAB O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccc(Cl)cc1 1766024 NSHMINCAARDUJD-UHFFFAOYSA-N 437.326 5.366 0 40 IKAB Cc1ccc(CNc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1 2235126 AWVXZLBYCABCOQ-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 2378975 QUKKCFMZYWVJBH-UHFFFAOYSA-N 442.906 5.225 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 2459110 MDCDXJVLKCGNGB-DEOSSOPVSA-N 436.964 5.044 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)cc1 2714486 JODSMGWEZDCISC-UHFFFAOYSA-N 445.353 7.006 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(c3ccccc3)C2=O)cc1 3146076 RNOHEJPLQGHZGB-IGDPSVTJSA-N 441.530 5.713 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)c1c2c(C(=O)Nc2cccc(C(F)(F)F)c2)nn1-c1ccccc1 3166408 QCLKINZFFUEOSS-MHECFPHRSA-N 439.481 6.318 0 40 IKAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 3188356 JWUTVHLKIKBJGA-UHFFFAOYSA-N 438.622 5.400 0 40 IKAB Cc1oc2cc(OC(=O)c3ccc(F)cc3Cl)ccc2c(=O)c1-c1ccc(F)cc1 3246293 AWZHHPGXQNSMNY-UHFFFAOYSA-N 426.802 5.919 0 40 IKAB c1cc2c(cc1Sc1nc(CN3CCCCC3)nc3sc4c(c13)CCC4)OCCO2 3300556 JHFZTUPSBSACHB-UHFFFAOYSA-N 439.606 5.088 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc(Cl)s1 3390102 GMZIQNRDTWDIKC-UHFFFAOYSA-N 426.954 5.078 0 40 IKAB Fc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 3642155 MPWCURCZTZMWHZ-UHFFFAOYSA-N 433.408 6.912 0 40 IKAB S=c1n(CNc2ccc(Cl)cc2)c2ccccc2n1CNc1ccc(Cl)cc1 6475412 VNXYHNLOXYDDIB-UHFFFAOYSA-N 429.376 6.618 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@H]12 8444541 PXTKIPXFRAYYAB-VPWXQRGCSA-N 442.485 5.456 0 40 IKAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccco4)c(C)c3cc2c1-c1ccccc1 8752002 FBHNFZYORNBHLC-UHFFFAOYSA-N 427.456 5.275 0 40 IKAB biogenic COc1ccc(-c2csc(NC(=O)COc3cc(Cl)ccc3Cl)n2)c(OC)c1 8898807 ZVKPPWCKVIWZHX-UHFFFAOYSA-N 439.320 5.152 0 40 IKAB Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9292695 BJYTZTREKYKEEF-PZJWPPBQSA-N 438.756 6.599 0 40 IKAB Cc1ccc(C(=O)COC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 9371642 NUPJWEZNROVKQJ-DEOSSOPVSA-N 429.516 5.091 0 40 IKAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccsc2)n1 9494049 AWIYPRDMMWRSFJ-XMMPIXPASA-N 445.569 5.062 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNC1CCCC1 9601961 HHKYQPMVFYXVCN-AREMUKBSSA-N 438.615 6.485 0 40 IKAB Cc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccccc1-c1ccccc1)S(C)(=O)=O 10313881 VGUSNGLJRNQKTN-KRWDZBQOSA-N 442.968 5.109 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1)c1ccco1 11361062 KGAPGEJUOMIRFJ-UHFFFAOYSA-N 434.455 5.394 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCCC(c2ccccc2)c2ccccc2)no1 12687519 CYKLAOROYXUKNY-UHFFFAOYSA-N 443.572 5.622 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(-c4ccccc4)cc3)nnc2-c2ccncc2)cc1 12772452 HHNXQQUPFWJNEV-UHFFFAOYSA-N 438.531 6.428 0 40 IKAB Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@H](c2ccco2)N2CCCC2)c1 12783424 NUFAZTSSLIZERJ-XMMPIXPASA-N 440.547 5.008 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 12806908 PLBWCYGGIBKDMD-ZLGFGDHQSA-N 427.589 5.056 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 13131369 NLNIZDZDXBVRFH-RUZDIDTESA-N 436.580 6.387 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc21 13942467 VDXSXCLKNDTBPO-CCLHPLFOSA-N 440.518 5.709 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c1C 14154957 UOVXVLDZOKLWNO-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 14272713 KCONAPDOQICCOW-UHFFFAOYSA-N 440.934 6.350 0 40 IKAB O=C(Nc1ccccc1)N1CCC(CCCC2CCN(C(=O)Nc3ccccc3)CC2)CC1 16489382 FLDALBPIHQBCII-UHFFFAOYSA-N 448.611 6.045 0 40 IKAB CCCC(=O)N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 16636973 IGKOJFHBMRSTMA-QHCPKHFHSA-N 433.573 5.081 0 40 IKAB CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@H]2CCCN(C3CCOCC3)C2)n1 19523080 JLBYIZSPMPUOCZ-QFIPXVFZSA-N 443.595 5.203 0 40 IKAB CC(C)Oc1ccc(CNC(=O)COc2ccc3ccccc3c2Br)cc1 20456199 JQSSKPWQYXDXNE-UHFFFAOYSA-N 428.326 5.085 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 20610027 HEYPHRHMICPBGV-UHFFFAOYSA-N 434.499 5.200 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(COC(=O)c3cc(C)nc4ccc(C)cc34)cs2)cc1 22154410 KONRKEIYVALOCD-UHFFFAOYSA-N 445.544 5.155 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 22889310 IHMRXAYGPWBDGD-QFIPXVFZSA-N 442.584 6.031 0 40 IKAB O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907879 LMHWYMQYVUSTGF-VWLOTQADSA-N 442.584 5.196 0 40 IKAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)CC1 25897492 KYROQKYPANPYNB-XMMPIXPASA-N 445.588 5.166 0 40 IKAB CCCOc1ccccc1C(=O)NC[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27744594 HODDSRLPDIBHOA-HSZRJFAPSA-N 428.532 5.527 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(Cl)c1 32111978 CNNIZDDMFARRHW-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c(C)c1 32115029 AYXQULGVELPBSF-UHFFFAOYSA-N 442.849 6.061 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Br)cc1 32127830 NLTSDBSEGOODCY-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 32911161 GCELBSNIJDNRNJ-HNNXBMFYSA-N 433.508 5.564 0 40 IKAB CC1CCN([C@@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 32983115 MWBGADYMMMRAFQ-IBGZPJMESA-N 427.639 5.270 0 40 IKAB Fc1ccc(-c2ccc(SCc3nc(-c4ccccc4Br)no3)nn2)cc1 33022053 PCRJCJVBKQOEED-UHFFFAOYSA-N 443.301 5.388 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 33660457 BSYAHPXTUVUEIA-UHFFFAOYSA-N 436.515 6.137 0 40 IKAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 35039649 XUKGNXYFJMFDNT-ZCQLHAAUSA-N 435.954 5.445 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 38754054 QPPWZAPARASNCH-VWLOTQADSA-N 430.548 5.652 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccccc1NC(=O)c1cccc2ccccc12 39754055 HPEUVRYQRLAFAR-UHFFFAOYSA-N 434.455 5.394 0 40 IKAB Cc1ccc(NC(=O)Cn2c(-c3cccc(Br)c3)nc3ccccc32)c(C)c1 40306865 LCHAKZFLANJNNX-UHFFFAOYSA-N 434.337 5.721 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1 44841895 AJFGGLPQLOUPQC-RUZDIDTESA-N 427.569 6.928 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 57362896 RPPPYCLSHHNDBL-SANMLTNESA-N 443.591 5.207 0 40 IKAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC[C@@H](C(F)(F)F)C1 84341492 YXNZBKRIPCLLLQ-CYBMUJFWSA-N 439.305 5.026 0 40 IKAB O=C(CSc1ccccn1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 95946598 VHSBSEPTZSOAHW-NBTJWZHRSA-N 439.584 5.997 0 40 IKAB COCc1nc(N2CCO[C@@H](c3ccc(F)cc3)C2)c2c(-c3ccccc3)csc2n1 95957735 WUVIDSXXKNQPKJ-HXUWFJFHSA-N 435.524 5.222 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96358325 RRYFOYNDNHKGCC-UHFFFAOYSA-N 443.450 5.589 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96590608 AGNIBTFDVPCVNL-MRXNPFEDSA-N 436.895 5.133 0 40 IKAB Cc1cc2c(cc1C)NC1=C(O)[C@H](c3c[nH]c4ccc(COc5ccccc5)cc34)OC1=N2 100134567 HFWPWIIJNZNRER-SANMLTNESA-N 437.499 6.360 0 40 IKAB in-vitro Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 100743992 QKQNQTGSYLJYMX-ZNLUXHQJSA-N 432.568 5.251 0 40 IKAB COc1cccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1OC 102725785 UXSDIDRCXAHRPZ-IVZQSRNASA-N 432.476 5.314 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 106689771 SNLLRHOPMYMXMS-JAIQZWGSSA-N 437.448 5.329 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccccc1Br 106728254 YHRAYPOZIUIFPG-DHDCSXOGSA-N 442.256 5.704 0 40 IKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 119228083 GTIKQIIGVJEOLB-GJQQSYTOSA-N 428.701 7.649 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 222657950 VMRZSJYVSBZFHU-CWFSZBLJSA-N 431.989 5.510 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 222729754 UIQCXFSJFJBVJF-NSHDSACASA-N 448.177 5.006 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222935790 UICNGIDICRHLOQ-LEWJYISDSA-N 444.025 6.108 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223409756 VGZYPJJCGHDJCQ-GOSISDBHSA-N 449.422 5.486 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C 223470406 HVOXOGASMRUJOT-GOSISDBHSA-N 433.423 6.008 0 40 IKAB O=C(NCC1=CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 224119887 VESRZRGZOHSJJD-XMMPIXPASA-N 440.996 5.344 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224631591 LMKJOIDLPRKHEJ-LJQANCHMSA-N 443.031 5.512 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)[nH]1 224920088 CWSKAVFULBSMDC-PMACEKPBSA-N 441.398 5.275 0 40 IKAB CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1 224936593 ZSXMPBSLCGKUSE-QHCPKHFHSA-N 440.008 6.830 0 40 IKAB COC(=O)c1cc(NC(=S)NCCCSCc2ccc(Cl)cc2)ccc1Cl 225610011 ZAKWOOKWKQXUAF-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB Cc1ccccc1[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 225778827 DDDYQZCSPYTIRD-RQARHRADSA-N 436.511 5.265 0 40 IKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccc(OC)cc3)CCCC2)ccc1Cl 225866173 ZKVTVUZHAPPJGY-UHFFFAOYSA-N 432.973 5.281 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2cccnc12 225876490 PNTAATVWNAPIDG-UHFFFAOYSA-N 438.955 5.754 0 40 IKAB C[C@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225903918 XQWZMEHORIKUKF-DOTOQJQBSA-N 447.804 5.292 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)C1 226324749 KANKDKWAFWSSTF-TXEJJXNPSA-N 438.316 5.044 0 40 IKAB Fc1ccccc1O[C@H]1COC2(CCN(Cc3ccccc3OCc3ccccn3)CC2)C1 257201122 AGJNXQNNXDLZEK-HSZRJFAPSA-N 448.538 5.002 0 40 IKAB CN(CCC(=O)N1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1)c1ccccc1F 257249140 JGYQOLQSGAWUKT-UHFFFAOYSA-N 449.545 5.183 0 40 IKAB CCN(Cc1ccccc1-c1ccccc1OC)[C@H]1CCOC2(CCN(C(C)C)CC2)C1 257264360 LUAZTSXFUMKERS-DEOSSOPVSA-N 436.640 5.606 0 40 IKAB CCCCC1=NN(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@@](O)(C(F)(F)F)C1 408562845 DZPVQRCRVBBFRQ-QFIPXVFZSA-N 434.458 5.217 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1cccc(Br)c1 408714433 QPWIWMQATOGFRG-UHFFFAOYSA-N 428.330 5.069 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409058320 NROJRYDOLPHBGU-MFOYZWKCSA-N 440.323 6.156 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 409102528 AXJZOPQXDAJCMV-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409215815 BGHOIBOWRSYVFJ-WOJGMQOQSA-N 425.849 5.539 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 409222631 COGWSZIAWCAVTQ-XDHOZWIPSA-N 426.394 5.367 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cc(C)cc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409380462 DWYNJDTYXOLSKR-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCCN2Cc2cccc(F)c2)CC1 585100081 FEGWOAJLJWRZBW-NDEPHWFRSA-N 447.598 5.677 0 40 IKAB Cc1c(Cl)cccc1NC1=C(Cl)C(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 938224 XPVCXOOURQYEQK-UHFFFAOYSA-N 430.118 5.387 0 40 IKAB O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccc(F)cc3)ccc12 942742 BWSIMSPMBOJKER-UHFFFAOYSA-N 441.252 6.066 0 40 IKAB biogenic COc1ccccc1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1F 1352941 QCBALNLURNZBIR-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2cc1C 1366563 RBKBCAQCJHRGNL-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB COc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1OCc1ccc(Cl)cc1 1799913 LMVVQIXVPDOENU-UHFFFAOYSA-N 443.930 6.432 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c(C)c1 2074094 LBPZCXNPNCILAV-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N(C2CCCCC2)C2CCCCC2)c2ccccc2n1 2088224 LCGCSLOIXOVMEM-UHFFFAOYSA-N 426.604 7.318 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1Br 2135302 BNCFRJPOYRSHFA-UHFFFAOYSA-N 435.387 5.038 0 40 IKAB COc1ccc(-c2c(C)c3c(n2C2CCCCC2)[C@H](c2ccccc2)Oc2ccccc2-3)cc1 2186359 XHRUYPXOOUKRPZ-HKBQPEDESA-N 449.594 8.126 0 40 IKAB O=C(CSc1nnc(COc2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1Cl 2244623 UVXAAFITSHYVSI-UHFFFAOYSA-N 443.834 5.052 0 40 IKAB Cc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 2448886 WZNHXASUNZTERH-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc(Br)cc1 2629187 HHOHCJKFVLCHQE-GFCCVEGCSA-N 434.384 5.276 0 40 IKAB O=C(Nc1ccc(Cl)cc1F)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 2746531 IVCNKRXNAIYUKI-UHFFFAOYSA-N 435.707 5.599 0 40 IKAB aggregator O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccc(Oc2ccccc2)cc1 3172825 NAKARXKFLYGMSC-UHFFFAOYSA-N 428.485 6.656 0 40 IKAB O=C1/C(=C/Nc2ccc(SC(F)F)cc2)c2ccccc2C(=O)N1c1nccs1 3274158 JKVAWLVAHXPSBW-LFIBNONCSA-N 429.473 5.098 0 40 IKAB Clc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2c[nH]c3ccccc23)cc1 3326246 SBRNZIXCRIETHT-UHFFFAOYSA-N 446.963 6.240 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655443 JJWUIFTWTCWKNM-UHFFFAOYSA-N 445.490 6.624 0 40 IKAB C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4074032 LPZCCMIISIBREI-SLNSELIZSA-N 426.729 8.191 0 40 IKAB biogenic CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 4786471 WYCBINHYUQABOH-QFIPXVFZSA-N 449.341 6.271 0 40 IKAB Cc1ccc(-n2cnc3c(sc4nc(-c5cccs5)cc(C(F)(F)F)c43)c2=O)cc1 8450764 SDHCDMHMCRJBQC-UHFFFAOYSA-N 443.475 6.051 0 40 IKAB COC(=O)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 8781489 NNWJBEPMYMUPQA-ACCUITESSA-N 437.326 6.348 0 40 IKAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810051 COXPYBCUELQOLH-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB COc1cc(N)c(-c2ccc3cc(Br)cc(Br)c3n2)cc1OC 8885103 GWMZCNDHKCCEKH-UHFFFAOYSA-N 438.119 5.026 0 40 IKAB COc1ccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1 9116619 SWVWBWHQXKUJAC-UHFFFAOYSA-N 448.573 5.315 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9289253 QHLCJTMZAPDBOC-RUZDIDTESA-N 440.522 6.226 0 40 IKAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccc(Cl)cc2)cc1 9425016 BYXVIWDRDHBPGW-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 9466027 UGRLMBAZYKNRDC-QMMMGPOBSA-N 431.361 5.185 0 40 IKAB O=C(Nc1ccnn1Cc1ccccn1)c1ccc(CSc2ccc(Cl)cc2)cc1 9468893 KNMMNFOLKVBMBO-UHFFFAOYSA-N 434.952 5.524 0 40 IKAB CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 9556572 GMKFUSDAUBCYDZ-HXUWFJFHSA-N 432.501 5.015 0 40 IKAB Cc1csc(N(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c2ccccc2)n1 9634742 OVZBKTNMVPRNEK-UHFFFAOYSA-N 426.498 5.098 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)n2CC(C)C)cc1 9799428 IGXWCVBTASJCFG-AWEZNQCLSA-N 441.582 5.575 0 40 IKAB COc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)ccc1N1CCCC1=O 11259096 QKWWSHVIHXGSLJ-DEOSSOPVSA-N 432.545 5.294 0 40 IKAB CC(=O)Cc1nsc(NC(=O)c2cc(-c3cc(C(F)(F)F)ccc3Cl)oc2C)n1 12273972 WDTUHDJFOVWWLN-UHFFFAOYSA-N 443.834 5.163 0 40 IKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1cccc(Br)c1 12376914 UOGHWAOGERHTTO-UHFFFAOYSA-N 427.245 5.844 0 40 IKAB COc1ccc(C2=NC[C@@H](CSc3ncnc4sc5c(c34)CCCC5)S2)cc1 12531787 MRQNTUHILCKISK-HNNXBMFYSA-N 427.620 5.233 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)cc1 12539544 UNIQNTZJRIINJI-NRFANRHFSA-N 443.522 5.079 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12540952 QNJHKMFWSYHZFF-GASCZTMLSA-N 442.968 5.563 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1C(F)(F)F)Cc1ccccc1N1CCCCC1 12590203 YBOFEAFWMRQQEB-UHFFFAOYSA-N 439.909 5.420 0 40 IKAB O=c1c2cc(Cl)c(Cl)cc2c(-c2ccc(Cl)cc2)nn1-c1ccc(Cl)cc1 12958301 MKKLUIBOWOLLIZ-UHFFFAOYSA-N 436.125 6.666 0 40 IKAB c1ccc(-c2noc(CCCSc3nnc(-c4cccs4)n3-c3ccccc3)n2)cc1 13150203 ZSRPCQORLVNCCQ-UHFFFAOYSA-N 445.573 5.771 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 13842758 DFRCGSPKJPLUED-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB Fc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(F)cc3)c2Br)cc1 13960698 FGYDVNMIPKPKQQ-UHFFFAOYSA-N 449.686 5.614 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cc1csc(NC(=O)c2cccs2)n1 14182956 RYPCBNYXCXSEPU-UHFFFAOYSA-N 427.595 5.885 0 40 IKAB O=C(COc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1-c1ccccc1 14184914 YGNYDFMPGLYVOI-UHFFFAOYSA-N 436.511 5.301 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5ccc(F)cc5)o4)o3)cc2C1 14242956 NUKKJHUCHWTQST-VXGBXAGGSA-N 442.541 5.965 0 40 IKAB Cc1cc(C)nc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 14269778 FHZIBIWZNSBRIB-VMPITWQZSA-N 447.347 5.187 0 40 IKAB COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@H](c3ccccc3)C2)cc1 15906597 ZBRBDUITJXXVIL-LJAQVGFWSA-N 446.550 6.916 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 16161908 AEOXCYDJGFQICL-GTWFGUSFSA-N 430.573 5.736 0 40 IKAB Cc1cccc2c(-c3ccncc3)c([C@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)[nH]c12 19236541 GJIXROUCDCLHMX-IBGZPJMESA-N 428.536 5.670 0 40 IKAB CCOc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)cc1OC 19533787 RGLJYFDMAVPPEH-MRXNPFEDSA-N 449.473 5.337 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 19700086 NNYOJAXCMNGLAI-OAQYLSRUSA-N 448.582 5.089 0 40 IKAB COc1ccccc1NC(=O)c1c(-c2ccc(Cl)cc2)c2cc(Cl)ccc2n1C 19894325 KVAZXRPJFTUBPZ-UHFFFAOYSA-N 425.315 6.413 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 20040797 DOARXMOOSNREPZ-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140048 CFWVRVPZDUSREG-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(O)c1cc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(Cl)cc1Cl 20151973 RXRNIPKUCVGEND-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB O=C(O)COc1ccc(NC(=O)c2cccc(Cl)c2)cc1-c1nc2ccccc2s1 20158003 WYMXUJVZUQWFGC-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc4ccccc34)sc2c1 20411909 YQOQTLYSBIUYKX-UHFFFAOYSA-N 449.557 5.142 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(OCC)c1 20672358 SQILLIYQIZVLBX-RUZDIDTESA-N 439.515 5.424 0 40 IKAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797418 DNWLRSWAHGVDHK-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21305641 NDEUYVFHWXVUFX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB c1ccc(Cn2cc(CNC[C@H](c3ccco3)N3CCCC3)c(-c3ccccc3)n2)cc1 22914107 BAPLAPOUQXQROP-RUZDIDTESA-N 426.564 5.118 0 40 IKAB COc1cccc(-c2nc(C(=O)N[C@@H](C)c3ccccc3Br)cs2)c1OC 24758932 ZTUNUAHQUBUSMU-LBPRGKRZSA-N 447.354 5.081 0 40 IKAB CN(Cc1ccc(Br)s1)C[C@H](O)COc1ccc(-c2ccccc2)cc1 32843115 WAKCYTPVUIOWIC-SFHVURJKSA-N 432.383 5.049 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)c1cccs1 32878819 DGVWHGTUSAAPHJ-KRWDZBQOSA-N 427.595 5.375 0 40 IKAB Oc1nc(SCc2cccc(C(F)(F)F)c2)nc2c1CN(Cc1ccc(F)cc1)CC2 33141655 RFRBMRNGEOQTEJ-UHFFFAOYSA-N 449.473 5.191 0 40 IKAB C[C@@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 33434026 GRFGKUZPTSCGCZ-IBGZPJMESA-N 444.375 5.244 0 40 IKAB CC[C@@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(OC)cc4)c(COC)nn23)C1 35326930 TUEPYQKXINFLAE-QGZVFWFLSA-N 445.538 5.872 0 40 IKAB C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 36006802 CRQSSISIXUBQTB-TWJSWXTQSA-N 444.377 6.678 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21 55184964 JCMRXPLXUHWJKN-QMWXCIFZSA-N 436.599 6.622 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 57317003 DHEKVHLUQYOWCE-UHFFFAOYSA-N 442.353 5.836 0 40 IKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 59348249 AENVFYZWHNNPEJ-HXUWFJFHSA-N 429.520 5.670 0 40 IKAB COc1cccc(Cn2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)c1 67258798 ANBWWORTEPAJSL-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 139055927 LQRINRQMINOOPY-YJPXFSGGSA-N 446.330 5.020 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 222729605 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446.576 5.294 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224055051 ODYZGZDJFYWYHR-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CC(C)C(NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)C(C)C 224067068 SOCRHPXWHJSUBJ-UHFFFAOYSA-N 443.396 5.205 0 40 IKAB COc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224224253 ZREFLSBYRVPHFS-UHFFFAOYSA-N 443.587 6.784 0 40 IKAB CCN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224355521 YDANKJCPPOBESQ-UHFFFAOYSA-N 449.359 5.461 0 40 IKAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224485993 SIZGRAHYKISALL-WOJBJXKFSA-N 441.398 5.404 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224627239 GUTIYULGHJPFDN-IBGZPJMESA-N 437.967 6.426 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224901899 QGEIZHXBLHAGLQ-UHFFFAOYSA-N 442.471 5.446 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 224965908 LHHZVZNJCDMQOJ-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 224972010 WQPAWWLRVGSENI-KRWDZBQOSA-N 449.422 5.432 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225282224 VLOTZOKIIQLVGH-SJORKVTESA-N 435.395 5.176 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1O[C@H](C)CC 225684940 GTIZIUXRQCOAEB-QGZVFWFLSA-N 443.971 6.145 0 40 IKAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(OCc2ccccc2)cc1 225810941 VXNVLNMHOPAHRV-UHFFFAOYSA-N 433.895 5.540 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(I)[C@]4(C)CC[C@H]32)C1 256447595 OFYWDQNTPMUZEH-JNCUIMROSA-N 440.365 5.810 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408563209 ACMILXISDZBEIV-COVFOYHZSA-N 446.616 5.159 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408696098 WCOXLSGZQRGXCC-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(Nc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408697630 ITPMGSMOTQTCTM-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB COc1ccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 409114721 IFPVSOBWLSUMEI-UHFFFAOYSA-N 446.316 5.797 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)cc(C)c4)C3=O)c[nH]c12 409353669 PHYDFQCKRZQIPK-JAIQZWGSSA-N 433.533 5.022 0 40 IKAB Oc1ccc(/C(=C(\c2ccccc2)c2ccc(Br)cc2)c2ccccc2)cc1 1911925473 LSJFZGWVQMEGTG-OCEACIFDSA-N 427.341 7.162 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3sc4cccc(Cl)c4c3Cl)c2C(N)=O)C1 648989 DRKLODRBHHVWPZ-MRVPVSSYSA-N 439.389 5.746 0 40 IKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 843632 AJWLGUNRLUABCH-XZOQPEGZSA-N 430.870 5.283 0 40 IKAB COc1cc(Br)cc2c1O[C@@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 934698 GAWJMJYFQHTHOO-UTKZUKDTSA-N 443.272 5.432 0 40 IKAB O=C(Nc1cccn(Cc2ccc(Cl)c(Cl)c2)c1=O)c1ccc(Cl)c(Cl)c1 1396493 XLRQDNYCVZQNPE-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB Nc1nc(-c2ccc3ccccc3c2)cc(-c2cc(-c3ccc4ccccc4c3)nc(N)n2)n1 1588362 MWHBOCMKBJUAIM-UHFFFAOYSA-N 440.510 5.738 0 40 IKAB in-vitro CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc2ccccc12 1921906 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CC(C)N(c1ccccc1)c1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1 3337528 HBVPGIOSOXHACM-UHFFFAOYSA-N 434.583 7.394 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 3386469 DKCSBGZRHKRHLP-OAQYLSRUSA-N 438.321 5.603 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)[C@@H]1COc2ccccc2O1 3655283 LGXUUZPFQFTSSO-FQEVSTJZSA-N 433.847 5.096 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5o4)c3C)o2)cc1Cl 3764489 YKWDRXVITKQQNM-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)cn2)ccc1OCc1ccc(Cl)cc1 4064174 XVEHZDRYUPOJJQ-UHFFFAOYSA-N 447.716 5.337 0 40 IKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2OC(=O)CCN1CCCCC1 4082330 FKAJEUFWOXAABF-NNHWUIPKSA-N 429.645 5.386 0 40 IKAB biogenic CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C)cc4C)cc3c2C1 4660845 OWOYATZPOINZFQ-SFHVURJKSA-N 425.594 6.392 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)c(C(C)C)cc1Cl 7738399 PLAIMUKPNMNSFZ-UHFFFAOYSA-N 425.960 5.865 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1 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19641465 XPEFRPPXJXOUQS-UHFFFAOYSA-N 444.560 5.347 0 40 IKAB Cc1nc([C@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19764877 SGRHWJLGCJHEFP-OAQYLSRUSA-N 440.975 5.325 0 40 IKAB O=c1[nH]c(CN[C@@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2cc(Cl)ccc12 23909432 LBAJHCUNKVCZFK-NRFANRHFSA-N 441.865 5.057 0 40 IKAB COc1ccc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)cc1F 25390726 NFIQWOSFEMYYQV-UHFFFAOYSA-N 434.540 5.893 0 40 IKAB Cc1ccccc1[C@@H](c1ccccc1)N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 27985636 IEKGRWBDUGRSJB-AREMUKBSSA-N 442.534 5.736 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@@H]1c1cccs1 32988709 AQRDQZAPPZNJFI-CHHLAKQQSA-N 426.545 5.373 0 40 IKAB Cc1ccccc1NC(=O)CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1 33265113 UVBNPKRCQNPZHL-UHFFFAOYSA-N 442.544 5.164 0 40 IKAB Cc1cccc(C)c1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1 33270996 ALJDURKFURXRKA-UHFFFAOYSA-N 441.944 5.080 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nn12 33743106 YQPCBZAPMVZQHQ-OAHLLOKOSA-N 449.580 5.255 0 40 IKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647781 AGFZJHLUSVZSTG-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCC3)cc1 36354581 CLCIXAACFXDAIW-VWLOTQADSA-N 440.543 5.068 0 40 IKAB CCc1ccccc1NC(=O)CN(C)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 38624098 BQNDYWQNPGBTEQ-SANMLTNESA-N 425.532 5.225 0 40 IKAB Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2ccc(OC(F)F)cc2)cc1 44088111 GOKPNPGZWYTFLJ-UHFFFAOYSA-N 426.463 6.572 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 44848405 UOVLOPKCPNPYIN-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1cccc(Cl)c1NC(=O)CN1CCC(c2nc(-c3ccccc3Cl)no2)CC1 49403625 SIPRWNRNLUWCGS-UHFFFAOYSA-N 445.350 5.170 0 40 IKAB CCc1ccc(N2C(=O)C(O)=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)cc1 64558213 CDDLAIPGLHXNGI-HSZRJFAPSA-N 447.556 5.197 0 40 IKAB C[C@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 69303635 IJFYZAMCEYQWHH-JTQLQIEISA-N 437.892 5.094 0 40 IKAB COc1ccc(Cn2c(SCc3cccc(Cl)c3)nc3ccsc3c2=O)cc1 71327628 LYORIGIHBJLLJV-UHFFFAOYSA-N 428.966 5.461 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@H]1COc2ccccc2O1 78875588 PDQYQXNUTCIEEO-HSZRJFAPSA-N 445.494 5.510 0 40 IKAB COc1ccc2[nH]cc(CCNC(=O)C[C@H](Cn3cccc3)c3ccc(Cl)cc3)c2c1 96232543 ZYNXQBOTDMUKML-HXUWFJFHSA-N 435.955 5.164 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1 100419745 MKAFJNDFSIJRBA-DQEYMECFSA-N 425.576 6.061 0 40 IKAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N3)cc1 101016697 WUWOYMKJWSZVAM-JOCHJYFZSA-N 441.922 5.548 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@@H]2CC[C@]1(C)C2(C)C 103028963 UVWGKYLODFTVNF-FOMLIJIXSA-N 434.411 5.800 0 40 IKAB CCCCc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107744347 WCHGRPPVBINDSD-UHFFFAOYSA-N 437.417 6.678 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 223656031 SKERRMSGVJIIEK-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223694383 YJKXMJSGPCEONN-AREMUKBSSA-N 436.640 5.775 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 223993074 DUWNMNRGMIALKZ-UHFFFAOYSA-N 440.590 5.585 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 224018422 DMTRPAGAJACHOA-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224279932 FPEICARRTJHQFD-UHFFFAOYSA-N 433.504 5.238 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224309882 KKOXVOQBJJUYAL-DQEYMECFSA-N 430.621 6.182 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224440932 FHTUSXBZUJRNMJ-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccccc1C(C)C 224567386 CVKCQVMXUMIEOV-UHFFFAOYSA-N 449.547 6.057 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)COc1cc(C)ccc1C(C)C 224627758 CVLNIPIODGJTEB-UHFFFAOYSA-N 439.939 6.590 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224777258 FLOFGFJFXQNRIX-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c1 224941372 HZHQZBFIWOCUMY-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C 224955559 BMWKUBVQKBHMBR-FCHUYYIVSA-N 441.000 5.359 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225086838 KJPQQNZWTSPHRL-XMMPIXPASA-N 441.015 5.447 0 40 IKAB O=C(c1cccc(Cl)c1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253008 DFXXMROIDOWGHV-WOJGMQOQSA-N 431.945 5.867 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)ccc1Cl 225506491 CLNUDSBYNUWFKW-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 225528307 IORRVYUIEYFAQU-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225580113 HPFVJSBXNXRRHX-ATIYNZHBSA-N 436.640 5.773 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@@H]32)CC1 247882605 RSUMDFBTCAAZNY-YXBNGVMSSA-N 443.031 5.085 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@@H]3OC(C)(C)O[C@@]32C(C)=O)C1 253501040 UHBMRCJLSUUKRV-MPWDCXDASA-N 432.601 5.050 0 40 IKAB COc1ccc(Cc2ccc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)nc2)cc1 257244404 ILCZVMNXANAECM-UHFFFAOYSA-N 443.566 5.691 0 40 IKAB Cc1ncsc1-c1ccc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cn1 257289107 PWZPCHDXPQXVIH-JOCHJYFZSA-N 444.560 5.460 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 408558681 VFYBKGRVAYIGEE-UHFFFAOYSA-N 443.374 6.494 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(Cl)cc1C(F)(F)F 408574053 HVQIZJMQILFQMC-UHFFFAOYSA-N 438.696 5.993 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1cccc(F)c1 408603555 BPVHCIYQKMBUDM-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1cc2c(ccc3ccccc32)o1 408621265 QOFQDORMZYJHFE-UHFFFAOYSA-N 430.356 6.556 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 408701168 SPPNEKQQWBCAAU-UHFFFAOYSA-N 440.590 5.048 0 40 IKAB Cc1ccc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 408731537 LNPYTCHUTNMQNR-UHFFFAOYSA-N 428.535 7.372 0 40 IKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408976276 FDBDWQBRZFIWOT-UHFFFAOYSA-N 433.471 5.015 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccc(F)cc2)o1 409007009 MNWMGQONIGFAHM-JTQLQIEISA-N 442.299 5.386 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccccc1Cl 409062411 UILJCOJDZAULFF-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 409090414 PKAWSOIEDVMETP-UHFFFAOYSA-N 425.532 6.443 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 409101712 QRQGIWFEWCZKLP-MTJSOVHGSA-N 428.340 6.658 0 40 IKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1cccc(C(=O)O)c1 409104447 ITCCZOBUEQRBRM-XKZIYDEJSA-N 433.485 5.058 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409110484 CMSXIKJZLWWIGJ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409116173 LATFGLWGEBELPF-DEOSSOPVSA-N 436.964 5.044 0 40 IKAB CCc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409121172 WUKRCDBMVDCWIM-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409203254 XDTMJENQHQQQHT-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c(C)c1 409253086 ANYTXYUZJBCPFC-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2Cl)cc1 409383828 JVQXFGVRJKHAPZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)c3cccc(-c4ccc(OC)cc4)c3C)s2)cc1 643587065 RSLFZJFNGRTMGQ-UHFFFAOYSA-N 445.544 5.374 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1 2060993522 XUGISPSHIFXEHZ-AQGKRFNGSA-N 428.701 7.960 0 40 IKAB Cc1ccc(-c2csc(N(C[C@@H]3CCCO3)C(=O)COc3ccc(Cl)cc3)n2)cc1 932708 SDAFYJSEQAJNBC-FQEVSTJZSA-N 442.968 5.363 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 1288511 WJSKBGHZENYNGA-UHFFFAOYSA-N 433.602 6.437 0 40 IKAB CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1C(F)(F)F 1396014 LDHKKDNSUHXWJV-UHFFFAOYSA-N 436.242 5.498 0 40 IKAB CCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OC)c3c(C)oc(C)c23)cc1 2146447 WEDCCYRYEJLCND-ZZIIXHQDSA-N 429.516 6.365 0 40 IKAB biogenic CC(=O)CSc1ncnc2c1sc1nnc(-c3ccccc3)c(-c3ccccc3)c12 2180805 ITMNJMGXFZNQHZ-UHFFFAOYSA-N 428.542 5.650 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 2194040 BLTJKRFORXFNGC-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2275902 ZPVNOVLAHWLDLQ-AWEZNQCLSA-N 438.622 5.358 0 40 IKAB CCCCCCn1c(N)c(C(=O)N[C@@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2413870 XPLUSYFEUCCDPM-IBGZPJMESA-N 443.595 5.498 0 40 IKAB Cc1ccc(Nc2c(Cl)c(P(=O)(OC(C)C)OC(C)C)nc3ccc(C)cc23)cc1 2701449 MAQZRGJTOPHWGY-UHFFFAOYSA-N 446.915 6.917 0 40 IKAB COC(=O)c1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)c1 2733417 KWASKUCJXHSNJE-UHFFFAOYSA-N 438.571 6.594 0 40 IKAB COc1ccccc1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)o1 2796916 ITXDWFDGDBYXOI-UHFFFAOYSA-N 432.505 5.065 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3286557 GWYKAKVXGWYWPG-UHFFFAOYSA-N 426.497 5.793 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C(C)=O)cc2)nnc1-c1ccc(C(C)(C)C)cc1 3294004 FESPVRVAWCDQTR-UHFFFAOYSA-N 436.581 5.196 0 40 IKAB O=C(c1ccccc1Cl)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 4044654 AWZNDLPVDDDQJZ-VWLOTQADSA-N 432.995 6.876 0 40 IKAB C(=C/c1ccccc1)\CSc1nnc(C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 4263699 CGCHCPPCCDAFII-JXMROGBWSA-N 427.617 6.541 0 40 IKAB CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3ccc(C(C)C)cc3)c12 4888842 KEPKUHPVBWLPQC-UHFFFAOYSA-N 425.623 6.294 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 8687686 SWFUKDURISQBEP-UHFFFAOYSA-N 436.519 5.223 0 40 IKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(Cl)cc2)CC1=O 8754658 HCUNIPXDAAYSAZ-GOSISDBHSA-N 439.987 5.663 0 40 IKAB CCCCc1ccc(-n2c(S)nnc2-c2cc3c(C(F)(F)F)nn(C)c3s2)cc1 8853859 KTSURQMZCFTDIR-UHFFFAOYSA-N 437.516 5.533 0 40 IKAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)CC1 8942195 KUTONPLEDLJDPF-UHFFFAOYSA-N 435.527 5.274 0 40 IKAB Cc1cc(C(=O)CSc2nncn2C(C)C)c(C)n1C(c1ccccc1)c1ccccc1 8965667 KKWNFIDTQHMFTR-UHFFFAOYSA-N 444.604 5.890 0 40 IKAB O=C(Cn1cnc2sc(-c3ccccc3)cc2c1=O)N(Cc1ccco1)C1=CCCCC1 9218921 RTOQTAZROAYWND-UHFFFAOYSA-N 445.544 5.205 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCc3cccc(C(F)(F)F)c3)c3ccccc32)c1 9391752 VLKYCLDAXCPERO-UHFFFAOYSA-N 425.519 7.618 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)c1cccs1 9449952 AGFBHWFKKUJPAU-UHFFFAOYSA-N 425.849 5.156 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3sccc23)cs1 9780488 UOXBMJNSZUWRMR-UHFFFAOYSA-N 426.592 5.687 0 40 IKAB O=C(CCCSc1ccc(F)cc1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9909323 LEZARSILTXKKDR-UHFFFAOYSA-N 426.582 6.339 0 40 IKAB Cc1ccccc1CN(C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 12529087 FFNRRPJHNGFQPC-LJAQVGFWSA-N 447.582 5.958 0 40 IKAB CCN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)C1CCCCC1 12622155 MTMSINCKGAPPHN-UHFFFAOYSA-N 449.473 5.182 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 12624815 YDFLEPWIBTYZLN-UHFFFAOYSA-N 443.553 6.349 0 40 IKAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)cc1 12743313 OFPISMYVLILJSJ-HSZRJFAPSA-N 444.579 5.411 0 40 IKAB Cn1c(SCc2c(F)cccc2Cl)nc2scc(-c3ccc(F)cc3)c2c1=O 13095506 XKMWPYORVFXYAL-UHFFFAOYSA-N 434.920 5.886 0 40 IKAB CSc1ccc(C(=O)CCC(=O)OCc2csc(Nc3ccc(C)cc3)n2)cc1 13100746 URCAPMKLZAKNRJ-UHFFFAOYSA-N 426.563 5.623 0 40 IKAB CCCn1nc2ccccc2c1P(=Nc1cccc(C(F)(F)F)c1)(N(C)C)N(C)C 13301615 NPSDRUCUALCBFM-UHFFFAOYSA-N 437.450 5.577 0 40 IKAB O=C(Cc1ccccc1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12 13573349 PBNSPXKUIIQXLH-UHFFFAOYSA-N 439.898 6.448 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 13683893 IEXSTSBFKSWMKT-OAHLLOKOSA-N 447.373 5.118 0 40 IKAB Fc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(F)cc3)c2Br)cc1 13960664 CDCHKDGBEYBACQ-UHFFFAOYSA-N 443.266 6.445 0 40 IKAB Cc1cc(NC(=O)Nc2ccc(F)cc2F)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282440 PPKQZLKOJRQHHV-UHFFFAOYSA-N 441.821 5.371 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 16639210 LLPBJTVBBHBQKM-UHFFFAOYSA-N 433.986 5.564 0 40 IKAB c1ccc2cc(Nc3ccc(-c4ccc(Nc5ccc6ccccc6c5)cc4)cc3)ccc2c1 16697807 WFUHVLZOAXEIIA-UHFFFAOYSA-N 436.558 9.147 0 40 IKAB Cc1ccccc1NC(=O)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2)c1=S 16768810 TXOQHBFVLPBWAP-UHFFFAOYSA-N 434.952 5.671 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 17096512 RFTOYYMELSEVGF-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1ccc(OCc2ccccc2)cc1 17097423 VHULWNRKZJGRDS-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 17097544 HTXHGSNPUFMKJM-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1ccc2c([C@@H](O)CN3CCC4(CC3)C[C@H](O)c3ccc5ccccc5c3O4)c[nH]c2c1 19219727 ZWROJRGVUNUVNA-UIOOFZCWSA-N 442.559 5.014 0 40 IKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20106221 OMLNUCBNANEGPY-RUZDIDTESA-N 445.559 6.020 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(N3CCCCC3)c(F)c2)cc(OCC)c1OCC 21577845 GWKOCPWQLXKHGJ-UHFFFAOYSA-N 430.520 5.264 0 40 IKAB CC(C)C[C@H]1Oc2ccccc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N21 22027412 KMNLGDPHNNPIAN-IHLOFXLRSA-N 447.578 7.279 0 40 IKAB CCOc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3onc(C)c13)O[C@@H](C)C2 22320037 IBWCNIONDJCWAD-AWEZNQCLSA-N 429.476 5.173 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)cc4C)c3)nc2c1 32125317 UPLCKVZROJKZKA-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)cc(C)c4)cc3)n2)cc1 32578691 FJPFSPUUAMYVBD-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccccc1-c1nc2ccccc2s1 32964049 HXWAGJDQRDZQME-UHFFFAOYSA-N 435.936 5.327 0 40 IKAB Cc1ccc2oc(-c3ccc(NC(=O)CCCc4nc(-c5ccccc5)no4)cc3)nc2c1 33000065 HBIOQBLFCLUXKD-UHFFFAOYSA-N 438.487 5.815 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COc2ccc(C3CCCCC3)cc2)CC1 33541892 XLWFWQMRMCBPCK-DEOSSOPVSA-N 443.031 5.258 0 40 IKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(OC)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485377 AUKSSJMULIYYMJ-QHCPKHFHSA-N 435.907 5.410 0 40 IKAB CCCCn1c(=O)c2sccc2n2c(SCc3cccc(C(F)(F)F)c3)nnc12 45924381 SPJRGLGNHCQGPE-UHFFFAOYSA-N 438.500 5.217 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 59176384 TWOFKEWZTRXRIZ-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=Nc3onc(C)c32)cc1 102734313 VACQXHYEZVDZLT-JPYJTQIMSA-N 444.487 5.386 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 108913094 OFMWAWUPRBPOOI-HBSZIVNGSA-N 441.962 7.169 0 40 IKAB Cc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(OC(F)(F)F)cc4)sc3n2)cc1 215734995 BALVGJCWWGBIIK-UHFFFAOYSA-N 443.450 6.005 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 216430052 JCDPPCOPHHINSB-HXUWFJFHSA-N 429.560 6.238 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1C(=O)c1ccccc1 218856902 CWHRABZJUCRHJX-UHFFFAOYSA-N 444.712 5.351 0 40 IKAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 218885278 CYJKLVIFIRENAA-INIZCTEOSA-N 434.374 5.018 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219473154 YWCCKDCXPGCTOY-OAQYLSRUSA-N 444.531 5.007 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl 223359374 RSTUTVRWUDZHMZ-DHIUTWEWSA-N 448.979 5.600 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 223528140 OTZURBRWYFQZSN-DHIUTWEWSA-N 445.979 5.093 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 223568569 UOXNZXHOIVUGBW-PMACEKPBSA-N 442.559 5.462 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223792512 VIRZWZSWSPWTRU-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CC(C)Oc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224063177 WVIBFJHKUVMVPM-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224167182 CECQZKYGSTWSOI-UHFFFAOYSA-N 447.575 5.553 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)c1 224247641 WSTUOCQLXXCKMU-DNQXCXABSA-N 445.975 6.481 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 224400565 QCVXHLYOHHPTCV-VWLOTQADSA-N 438.587 5.187 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)(C)C 224512317 QESFHZYXLCXKDE-UHFFFAOYSA-N 447.531 5.943 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224787924 IZGQEFNOPCSHGI-MHZLTWQESA-N 442.603 5.011 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)s1 224918366 OMTXAPCWESOWEA-MOPGFXCFSA-N 444.423 5.700 0 40 IKAB CCC1(CC)C[C@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2O1 225028300 ZLKBUIFJQMEXNX-IBGZPJMESA-N 432.358 5.335 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C1CC1 225338523 CRKNMJSQCDSGKQ-LOSJGSFVSA-N 446.620 5.799 0 40 IKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC1(CCc2ccccc2)CCCC1 225855886 REHRANKURCLREB-UHFFFAOYSA-N 446.685 7.211 0 40 IKAB CC(C)Oc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F 225955926 IPBUMDGLXNBQOK-UHFFFAOYSA-N 427.466 6.437 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cccc5cccnc45)C3)c2)cc1 257276528 NUDBDLAQIIBMJS-QFIPXVFZSA-N 437.543 5.634 0 40 IKAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 257331851 XUNLYFLRHBDUTF-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408572787 IHPHLTSAEAQCMQ-UHFFFAOYSA-N 425.525 5.277 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 408663578 AKKQCXTVXWIUAZ-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(Cl)c2C)n1 408698564 OCSBCEHVCRTGKB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@@H]4C(=O)O)cc3s2)c1 408750907 TZFBXFPBDFIKRF-ROUUACIJSA-N 440.590 5.727 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)c2ccccc21 409111741 BXTHAWCIVVVJEQ-PDGQHHTCSA-N 445.868 7.162 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OC)c2)C1=O 409214092 QZMJTKVDILAQDO-STZFKDTASA-N 429.513 5.640 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409346827 LMRDCYGVNZBZKZ-UHFFFAOYSA-N 440.956 5.736 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCCCCOc2ccccc2Oc2ncccc2C1 643588743 IEXWXZNBVVELKW-UHFFFAOYSA-N 439.515 5.627 0 40 IKAB COc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2C(=O)NCc2ccccc2)cc1 644211 QXZBNVHGDDAANQ-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 682934 GLUJEDCAZQVVOG-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 865996 KYXZGKZXZOKMIX-LEWJYISDSA-N 436.437 5.949 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2ccc(C)cc2C)c1C 868918 LHBWEPFFYQWSJO-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882114 DMIXZSYJEOXTHZ-IBGZPJMESA-N 428.941 5.055 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc(Cl)c1 924526 BNDUIVFEXPYOEB-UHFFFAOYSA-N 427.961 5.230 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 953693 URZIQXFXYDPPML-UHFFFAOYSA-N 446.550 5.619 0 40 IKAB CC(=O)CSc1c(-c2ccccc2)c(=O)n(-c2ccccc2)c(=S)n1-c1ccccc1 1644219 AQIWIJYXWOFYBJ-UHFFFAOYSA-N 444.581 5.706 0 40 IKAB COc1ccccc1-n1c(SCCc2ccccc2)nc2sc3c(c2c1=O)CCC3 1815748 FNHFCMPAECLYIT-UHFFFAOYSA-N 434.586 5.279 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1816836 JLGIMDVKTQIQQX-XMMPIXPASA-N 425.981 6.024 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1cccc2ccccc12 1823752 XYGKVMLVMQTMLX-UHFFFAOYSA-N 440.930 6.339 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)OCc1ccccc1 1935855 QIEDHFMZCGKYBZ-UHFFFAOYSA-N 426.950 5.847 0 40 IKAB Cc1cc(N2COc3ccc4c(-c5ccccc5)cc(=O)oc4c3C2)ccc1Br 2125389 ONHMXQCCTKEJHW-UHFFFAOYSA-N 448.316 5.887 0 40 IKAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2cc(F)c(F)cc2Cl)OC1=O 2433440 GZLOZBDGEVAJCY-IUXPMGMMSA-N 434.229 5.110 0 40 IKAB Clc1ccccc1CSc1nnc(CN2c3ccccc3Sc3ccccc32)o1 2585284 YOJSHXZYJBAZDL-UHFFFAOYSA-N 437.977 6.818 0 40 IKAB COc1ccc(CN(C)Cn2nc(-c3cccnc3)n(-c3ccc(C)cc3C)c2=S)cc1 2653983 OQSHUWNWENXSRZ-UHFFFAOYSA-N 445.592 5.180 0 40 IKAB COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC 2691332 JJNMZCKNDACLSN-UHFFFAOYSA-N 431.442 5.547 0 40 IKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)C1c2ccccc2Oc2ccccc21 2762483 VYGKPBHONGXJKH-UHFFFAOYSA-N 441.508 6.078 0 40 IKAB Cc1cc2c(cc1C)C1=CC(C(F)(F)F)=CC(=C3C=C([N+](=O)[O-])C=CC3=O)N1C(C)(C)C2 3771097 NJFJQAFVQGEHIN-UHFFFAOYSA-N 442.437 5.337 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)c1 4090939 JZXZUUJOISVGBQ-SDNWHVSQSA-N 449.963 5.427 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@H](O)c1ccc2c(c1)OCO2 5446741 FDBXCQIAUYDMBI-HASBDUGUSA-N 430.481 5.487 0 40 IKAB CCOc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1F 8437905 KGEZINBWNGJLSR-UHFFFAOYSA-N 445.332 5.251 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 8438991 NURWEEMTLJFITE-INIZCTEOSA-N 435.545 5.910 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1 8754999 QRCKJOWCNOUQOK-GOSISDBHSA-N 431.923 5.289 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccccc4)o3)[C@H](c3ccco3)C2)cc1 8824651 QYSWVOJIMRABFU-FQEVSTJZSA-N 444.516 5.108 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)c1 8871446 JLCWSGYPDAFJCA-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB Oc1cc(CSc2ccc(Cl)cc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 8873829 JIGNXPLJEVSIEB-UHFFFAOYSA-N 443.808 6.727 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)c1cccnc1Oc1ccccc1 8880591 FYDQJENAFZPSNG-UHFFFAOYSA-N 449.308 5.134 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccco2)n(Cc2ccc(F)cc2)c1C 8992165 QWWVHQXZAKFGNP-UHFFFAOYSA-N 428.467 5.681 0 40 IKAB O=C(CCC(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2)c1ccc(-c2ccccc2)cc1 9255798 NLZSSSNDCCKFBC-DEOSSOPVSA-N 441.527 5.451 0 40 IKAB Cc1ccc(-n2c(C)nnc2SCc2csc(CC(=O)Nc3ccccc3C)n2)cc1 9349386 BMBFIXOHNNQVTB-UHFFFAOYSA-N 449.605 5.123 0 40 IKAB Fc1ccc(CNc2nc(Nc3ccc(F)cc3)c3cnn(-c4ccccc4)c3n2)cc1 9622531 QWPGWKKQEYIALR-UHFFFAOYSA-N 428.446 5.449 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3-c3ccccc3)o2)cc1 9635393 PHJOMQOEIMWOHZ-UHFFFAOYSA-N 435.896 5.523 0 40 IKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 9707687 UHZSRQRFAXZAMC-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C 9729523 XVOVQZQJECZWSE-QZTJIDSGSA-N 444.560 5.045 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)c(Cl)c1 10331239 FDISMUXWMYBMCV-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(C)s1)c1cccs1 11148165 YTKIZKJEAVSTGF-SFHVURJKSA-N 427.595 5.311 0 40 IKAB S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 12376178 TZVFCHXVAAKTCJ-NRFANRHFSA-N 447.007 6.171 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccncc3)=Nc3ccc(Br)cc32)cc1 12485167 AFJPNLFCHMHNMO-UHFFFAOYSA-N 449.352 5.457 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 12486439 YWVNAEMPZIAZRL-UHFFFAOYSA-N 438.300 5.421 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COc2cccc(Cl)c2Cl)cc1 12565865 JCTKMAYPZBXTNZ-UHFFFAOYSA-N 429.347 6.557 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c1Cl 12749007 FSXCMQSFRZMTRF-QFIPXVFZSA-N 431.388 5.950 0 40 IKAB O=C(CNc1ccccc1N1CCCCC1)N1N=C(c2cccs2)C[C@H]1c1ccco1 12783141 VHSRWXFVHOLLQW-NRFANRHFSA-N 434.565 5.121 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 13109691 PRCXBUHNKLLJOH-FQEVSTJZSA-N 440.591 6.106 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 13114691 VJNYCXHFMAVLHW-IBGZPJMESA-N 442.588 5.675 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)(c1ccccc1)c1ccccc1 13121337 HCMNDXYXLJALDP-UHFFFAOYSA-N 443.978 5.629 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 13128140 YZXPUSDOBKGJLB-QFIPXVFZSA-N 437.565 5.182 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cc(C)ccc1C 13568359 WUDWZYNTUVLXTO-UHFFFAOYSA-N 442.028 5.967 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 13619223 FWPXXWJCAFWHHE-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1cccc(Cl)c1 14405104 NHXWXMYPRYWREQ-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 15009453 SJAXOEDIJZBBCJ-UHFFFAOYSA-N 447.962 5.736 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N3CCC(C)CC3)nnc2-c2cc3ccccc3o2)cc1 15018934 OMLDMMYUFWSIEK-UHFFFAOYSA-N 446.576 5.340 0 40 IKAB CCc1ccc(C(=O)C[C@@H](c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 16161481 DAFLAEGZNHSLOL-VWLOTQADSA-N 448.404 6.384 0 40 IKAB Cc1cc(OCC(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)c(C(C)C)cc1Cl 16262190 DEGWXJMFVRSMDN-QFIPXVFZSA-N 446.378 5.443 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C(C)C)ccc3o2)c1 16362366 KJNLAOLWLJRWIA-UHFFFAOYSA-N 434.923 6.841 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4)c3)nc2c1 16611240 AEGCNZKQQPOFFK-INIZCTEOSA-N 429.545 6.135 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCc2ccccc2)cc1 16752444 XIKFNUOIXULOQY-DEOSSOPVSA-N 425.484 5.327 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc2c(Cl)cccc12 17094604 VQCDZFSPNBCSST-UHFFFAOYSA-N 425.724 5.632 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 17098698 IGTYLWFQSNYBFB-UHFFFAOYSA-N 433.943 5.481 0 40 IKAB Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17103199 SDPDRCNKRAOSEB-VVUBSENTSA-N 439.364 5.501 0 40 IKAB O=C(NC(=O)[C@H](Cc1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 17195462 LZTSRBKLLPUGCI-HNRBIFIRSA-N 433.551 5.682 0 40 IKAB O=C(COc1cccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1 17987304 YLBIQCZQQUYSMX-JWQCQUIFSA-N 437.495 5.071 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373118 QQXBPYJRPMOVAM-RBBKRZOGSA-N 439.563 5.345 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2cc(C)ccc2OC)n1 19525524 LZMDWRILTAIEAD-QHCPKHFHSA-N 444.579 5.104 0 40 IKAB CCOc1ccc(CCC(=O)N2CCCC[C@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19533141 ZOBCWJUGHHNTPM-VWLOTQADSA-N 444.579 5.241 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 19636534 BWTWEDUOXQRIKI-IBGZPJMESA-N 442.559 7.149 0 40 IKAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)c1)CC2 19698224 CXXGENLUEWLHPR-FQEVSTJZSA-N 442.494 5.500 0 40 IKAB Cc1cc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)ccc1-c1ccc(CO)o1 20153575 BKHBFAWLRRVWJY-UHFFFAOYSA-N 434.561 5.072 0 40 IKAB Cc1cc2nc(-c3ccc(I)cc3)oc2c(Br)c1C 20156791 JJRXMPAMCUETQQ-UHFFFAOYSA-N 428.067 5.479 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 20610479 CWNSRLHPYKNCLM-UHFFFAOYSA-N 435.325 5.559 0 40 IKAB COc1cc(CCC2CCN([C@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 21396140 USHZTYSPFKWAME-MRXNPFEDSA-N 427.570 5.221 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)NCc3ccc(OCC(F)(F)F)cc3)n2)cc1 22418318 FVPPZLBESOQEGD-UHFFFAOYSA-N 447.457 5.050 0 40 IKAB CN(Cc1nc(O)c2sccc2n1)Cc1ccc(-c2ccc(Br)cc2)o1 23990306 JXFMZHVBZKEMTC-UHFFFAOYSA-N 430.327 5.051 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC(=O)CC(C)C)cc1 26390389 FCYQFHMMYKLFNU-UHFFFAOYSA-N 437.565 5.821 0 40 IKAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 29027253 BJIRODZOXRSHPI-UHFFFAOYSA-N 425.410 5.140 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4cccc(C)c4C)nc23)cc1 33022355 PVBMYKBCQRRBNA-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 39519589 BUEGFNKQFJKTRH-NYHFZMIOSA-N 439.581 5.396 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 58164487 KDHVDEPHRNYAJC-DEOSSOPVSA-N 445.563 5.995 0 40 IKAB C[C@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(OCc2ccccn2)c1 58218291 CPRIZLIEZXTLLW-IBGZPJMESA-N 441.556 5.698 0 40 IKAB CC(C)(C)c1nc(-c2ccc(NC(=O)Cc3cc(Cl)c4c(c3)OCCCO4)cc2)no1 58417113 ISMWXFSVAMXBOK-UHFFFAOYSA-N 441.915 5.030 0 40 IKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2ccc(C(F)(F)F)cc2)c1OCC 71761880 UWCCXSAEZNRXAZ-UHFFFAOYSA-N 442.459 5.098 0 40 IKAB O=C(NCc1ncoc1-c1ccccc1)c1oc2ccccc2c1CSc1ncccn1 79056256 MOUMGJLUDMVGKU-UHFFFAOYSA-N 442.500 5.100 0 40 IKAB CC(C)c1ccc(-c2ccc(=O)n(Cc3nc(-c4ccc(C(F)(F)F)cc4)no3)n2)cc1 85644421 NCNHXLMTFYKLIE-UHFFFAOYSA-N 440.425 5.151 0 40 IKAB Cc1ccc(N2C(=O)N(C(=O)c3cccc(Cl)c3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100032871 CMIBOHPDYFLLAJ-SQJMNOBHSA-N 432.907 5.971 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 101192964 DKNPZRUGYWSHSX-GKCIPKSASA-N 444.457 5.157 0 40 IKAB Cc1ccc(N/C=C2/C(=O)N(c3ccc(Br)cn3)C(=O)c3ccccc32)cc1C 102919251 GZJFANNTNLCWEA-DEDYPNTBSA-N 448.320 5.101 0 40 IKAB CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccco4)C3=C(O)C2)cc1 103450754 RENLHQBTYTUIPA-XHCCPWGMSA-N 427.548 6.755 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 106695897 ZMYKZADFGSGUCT-HAHDFKILSA-N 435.520 6.394 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@@H]3OC(C)(C)O[C@@]32C(C)=O)C1 118917417 UHBMRCJLSUUKRV-HCERWSKXSA-N 432.601 5.050 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 222713390 HVDXZQGETAPWNK-OBVPDXSSSA-N 444.387 6.628 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 222975878 ZAJVTNPOCGDNOP-KRWDZBQOSA-N 428.979 5.447 0 40 IKAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424466 KRUQUIDTKMZQQJ-SANMLTNESA-N 448.994 5.569 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223899408 WSMVDWDFRYBROZ-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224145288 ONBVLJORALZIBS-LJQANCHMSA-N 447.044 5.071 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 224329979 HLOOCTRQOHPAPM-UHFFFAOYSA-N 433.555 5.878 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 224534775 NGJFIORIIMSWEI-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224802983 AAAZVYBTVLCGGN-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)o2)cc1 224859087 UOLBFKLIMQFMFG-UHFFFAOYSA-N 428.488 6.104 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224880681 TXKOLGYLWPEOND-XZOQPEGZSA-N 447.947 5.878 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1C 225164318 LQROLPJWGXAMFN-ZEQRLZLVSA-N 447.608 5.298 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 225576617 IBWZMVYULYHBNK-BWKNWUBXSA-N 446.591 5.249 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225582884 LAPATZZNTDQHIC-UHFFFAOYSA-N 436.379 6.168 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225614931 QHRDLHCLBQYWTG-DYESRHJHSA-N 433.017 5.154 0 40 IKAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972183 KUOADMQXQLAAOH-RTBURBONSA-N 437.657 5.066 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)o1 257228719 FUYQFVNAXXXZCW-IBGZPJMESA-N 429.520 5.084 0 40 IKAB c1ccc2cc(CSc3nnc(SCc4ccc5ccccc5c4)s3)ccc2c1 408606195 PEKRTXJCXBVFGK-UHFFFAOYSA-N 430.623 7.429 0 40 IKAB Cc1ccc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646291 ASZMIZUKZGGJGJ-PJYWLYPCSA-N 448.349 5.401 0 40 IKAB O=C(Nc1cccc(Br)c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408696446 AAJWLLLSJLDDNE-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)c1C 408696802 BZGVEYSEFFVZSW-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)c1 408697225 GHHRFTRUSUCJIN-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(F)cc4)cc3)S2)cc1 408774694 CQZDOVKNSIBPNK-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1 409052753 JKHSPOBHQFAHDZ-UHFFFAOYSA-N 430.548 7.166 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 409099249 KJYUPFOELOIEEM-UHFFFAOYSA-N 437.568 6.779 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccc(C)cc1 409112825 DGZZHIQOHDOTKR-UHFFFAOYSA-N 440.381 6.574 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OCC)c2)cc1 409115321 IQVLVMFBWZNYSV-UHFFFAOYSA-N 446.374 6.982 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3O[C@@H](C)CC)C2=O)cc1 409176114 HRMNHZNIZFNUPH-YIRPMMGJSA-N 438.549 5.101 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1ccc(Cl)cc1 409205093 LJKGQFHBWABNRC-UHFFFAOYSA-N 426.969 6.326 0 40 IKAB Cc1cccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 409258097 RIINIMAZAPHGFZ-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)cc1C 409411878 MSNWYEPITWTWLJ-UHFFFAOYSA-N 447.000 5.378 0 40 IKAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1ccccc1C(F)(F)F 585151809 OJHBNLCAMJDCRZ-UHFFFAOYSA-N 449.479 5.486 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c1 585264498 DWIFBXISPLNCEV-UHFFFAOYSA-N 430.479 5.430 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)cc1 648736 VUNMYUPFQNUVKM-UHFFFAOYSA-N 437.565 5.123 0 40 IKAB Cc1cccc(Oc2coc3cc(O[C@H](C)C(=O)OCc4ccccc4)ccc3c2=O)c1 942712 IHVVQLFDHFQSAG-GOSISDBHSA-N 430.456 5.404 0 40 IKAB COc1cc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc(OC)c1 1339882 VQJJKDMFGIFZRZ-UHFFFAOYSA-N 444.556 5.574 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccco1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 1382778 JATQTDLTOPJAAL-HXUWFJFHSA-N 446.425 5.338 0 40 IKAB O=C(CSc1nnc2sc3ccccc3n12)Nc1ccc(Oc2ccccc2)cc1 1415598 CQHKQZVCURFXQB-UHFFFAOYSA-N 432.530 5.467 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc(Oc2ncnc3sc4c(c23)CCCC4)cc1 1514874 VFUBOEMFURKZTM-UHFFFAOYSA-N 427.485 5.163 0 40 IKAB Clc1ccc(Oc2nc3ccccc3n3c(-c4ccc(Cl)cc4Cl)nnc23)cc1 1773527 HYBDXMWFLQSHAA-UHFFFAOYSA-N 441.705 6.697 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1sc(Nc2ccccc2)nc1-c1ccccc1 1808457 JPRSGTITSBCIPU-UHFFFAOYSA-N 439.462 6.825 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCCCCCCC2)c1ccccc1 1834473 WGMNSRXQYLPVSV-UHFFFAOYSA-N 429.560 6.494 0 40 IKAB biogenic CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3Cl)cc12 2060184 YKDHAQMIDQJNAS-UHFFFAOYSA-N 447.918 6.047 0 40 IKAB biogenic Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 2074129 UAHZWRRHOLPDDT-UHFFFAOYSA-N 441.000 6.008 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(OC)cc2)cc1 2205942 FZEIJUFLKUIJRI-UHFFFAOYSA-N 435.524 5.773 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n12)CCCC3 2240288 HHUBQFXOZQMJMW-UHFFFAOYSA-N 433.027 5.885 0 40 IKAB CCOc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2284787 GSGFIPOBVFCZGT-UHFFFAOYSA-N 445.320 5.797 0 40 IKAB Nc1c(C(=O)NCCc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2290859 ZJCURQBYRDEQRQ-UHFFFAOYSA-N 439.563 5.030 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)c2C(=O)OC)cc1 2889775 YGITXUGOPJPSGM-UHFFFAOYSA-N 439.533 5.235 0 40 IKAB O=C(NCCc1ccccc1)c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl 3135021 UZGWTRTYNXCVJR-UHFFFAOYSA-N 437.874 5.273 0 40 IKAB O=C(Nc1nc(-c2ccccc2)cs1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 3171784 GENAIAFOFYUDAB-RCCKNPSSSA-N 448.494 6.591 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21 3534139 GLCZABYFEMMPFG-SFHVURJKSA-N 438.556 5.276 0 40 IKAB aggregator O=C(Nc1nnc(SCc2ccc(Cl)cc2Cl)s1)c1cccc2ccccc12 3767330 YAYXGAVHGHMTDA-UHFFFAOYSA-N 446.384 6.543 0 40 IKAB CCCn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 5155753 XMQSCFMDPFBBLF-SJORKVTESA-N 426.561 5.161 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(Cl)c(C)c4)cc3c2C1 6059807 LNFAZIGWVYVNRQ-INIZCTEOSA-N 446.012 6.737 0 40 IKAB C[C@@H](NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccccc1 8777266 IXSHXMLFFQXTMJ-OAHLLOKOSA-N 441.984 5.135 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 8810046 UKMIAROOSPFGGG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](Nc3ccc(C)cc3)C[C@@H]2C)cc1OC 8997065 HWMNAYBHNOGHIA-WMZHIEFXSA-N 430.548 5.913 0 40 IKAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC(C)(C)SC3 9065072 BRJYPIDJYMMUIM-UKTHLTGXSA-N 449.066 6.250 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccsc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 9089135 COHPOYDSHRYTHU-AOMKIAJQSA-N 431.517 5.577 0 40 IKAB COc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)c(OC)c1 9361253 QSXSSCPEQSUJDL-VWLOTQADSA-N 443.478 5.291 0 40 IKAB CSc1nnc(CNC(=O)c2cccc3ccccc23)n1-c1ccc(Cl)c(Cl)c1 9369045 VJJGJDLYCYSRGR-UHFFFAOYSA-N 443.359 5.379 0 40 IKAB COc1cccc2sc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)nc12 9381956 IWHIMTCQZWYOPK-UHFFFAOYSA-N 449.626 7.266 0 40 IKAB CCOc1ccc2nc(N3CCN(c4nc5ccc(OCC)cc5s4)CC3)sc2c1 9381983 DLIASRPQVIFNIC-UHFFFAOYSA-N 440.594 5.030 0 40 IKAB Cc1ccccc1COc1ccc(-c2ncncc2-c2ccc(Br)cc2)c(O)c1 9409513 XCWHYBUUYIWGKQ-UHFFFAOYSA-N 447.332 6.166 0 40 IKAB biogenic Cc1cc(NC(=S)NC(=O)/C=C/c2ccco2)ccc1NC(=O)c1cc2ccccc2o1 9601599 ZUYVTEMRFBFVSS-PKNBQFBNSA-N 445.500 5.113 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 10039714 QODXVZAUACJXEM-UHFFFAOYSA-N 428.492 5.053 0 40 IKAB O=C1c2ccccc2-c2nn(C(=O)/C=C/c3ccc(SC(F)F)cc3)c3cccc1c23 12192104 VEVQDBLECNHHDE-JLHYYAGUSA-N 432.451 5.916 0 40 IKAB Cc1noc(C)c1CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 12752672 GQPSBLJAPSSQGS-UHFFFAOYSA-N 432.593 6.424 0 40 IKAB CC(=O)Nc1ccc(C2=Nn3c(nnc3-c3sc4ccccc4c3Cl)SC2)cc1 13134300 IPZPIHJFJLVZHG-UHFFFAOYSA-N 439.953 5.130 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)o1 13497361 CKEKBICVGJCDKG-HSZRJFAPSA-N 436.577 5.482 0 40 IKAB CCOC(=O)c1cc(-c2ccc(-c3cccs3)s2)nc2ccc(Br)cc12 13756296 HABQEPOODXTCLX-UHFFFAOYSA-N 444.375 6.631 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 13881273 ZZLLREFCZHPBSY-UHFFFAOYSA-N 432.524 5.649 0 40 IKAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)NC2CCCC2)cc1 13937411 DIWKWQYAKDPBST-UHFFFAOYSA-N 444.409 5.023 0 40 IKAB Cc1ccc2nc(-c3ccccc3)c(NC(=O)CCc3ncc(-c4ccccc4F)o3)n2c1 14780108 QIQKIEGIPUKOOM-UHFFFAOYSA-N 440.478 5.675 0 40 IKAB Cc1cccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccccc3)n2)c1 15860641 UUWZZGAKTVYDAG-UHFFFAOYSA-N 443.597 6.481 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 16323179 DJICCFLRXCVCQE-JLPGSUDCSA-N 445.946 6.561 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 17095931 GFHVYWIDIXQWGN-LJQANCHMSA-N 428.532 6.643 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)nc2c1 17096944 FFDNLCVPDIKJOU-KRWDZBQOSA-N 430.504 6.034 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2Cl)CC1 17098768 UMOUCKVVEZEUDG-UHFFFAOYSA-N 434.367 5.003 0 40 IKAB CCCCNc1c(Cl)c(Cl)nc(Cl)c1C(=O)Nc1cc(Cl)ccc1Cl 18179042 SEARITQUTYEEES-UHFFFAOYSA-N 441.573 6.813 0 40 IKAB O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 19370898 ISODBYSWWKPDCB-WNCULLNHSA-N 448.010 5.437 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc(C(C)(C)C)cc2)cc1 19644858 WQFJTNADQKAQIL-UHFFFAOYSA-N 446.547 5.168 0 40 IKAB COc1c(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc2ccccc2c1Br 20139224 NXUCJVYMJXZTCK-UHFFFAOYSA-N 434.673 5.215 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 20739029 PSHCZBPSPAHRNI-ZUOKHONESA-N 425.941 5.436 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(C)ccc2C)sc2c1CCN(Cc1ccccc1)C2 21264294 AVWPQYWWJBYUNJ-UHFFFAOYSA-N 448.588 5.352 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCC[C@H]1c1cccs1 21847511 ZJLDFVULOTZXJB-KRWDZBQOSA-N 442.610 5.561 0 40 IKAB COc1ccc(N(C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 27019776 KVVCESZYVIJGTJ-UHFFFAOYSA-N 436.316 5.038 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1C 32111955 SNGGZHZLHLKYJA-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1 40033653 DYLYDZLEIUOJMP-GBXCKJPGSA-N 438.618 5.162 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@H]2c2ccc(C(C)C)cc2)cc1 40485353 KLNLKQHOKRSDCK-VWLOTQADSA-N 431.963 6.825 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 44855382 OMNAIQQFOBJBFM-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59961012 SDWPYZTUXILWKJ-KRXBUXKQSA-N 426.387 7.113 0 40 IKAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cccc(C(=O)N(C)c2ccccc2)c1 72295533 FETLXLYCTGWCEI-UHFFFAOYSA-N 449.554 5.688 0 40 IKAB Cc1cccc(N2CCN(c3c(C(=O)N4CCCCC4)cnc4ccc(Cl)cc34)CC2)c1 72328390 NRCHPKVGOJDWOX-UHFFFAOYSA-N 448.998 5.149 0 40 IKAB c1ccc(-c2ccc(C3=NN4[C@@H](C3)c3ccccc3O[C@@H]4c3ccc4c(c3)OCO4)cc2)cc1 72333670 MIPVESRQRJKQNG-ABYGYWHVSA-N 446.506 6.325 0 40 IKAB CCCCOc1ccc(NC(=O)N2CCC(Oc3ncccc3Br)CC2)cc1 96097004 LXIXUSOSVCFGEV-UHFFFAOYSA-N 448.361 5.098 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 106737719 KTEPEXGPFKEIGP-UKWGHVSLSA-N 439.876 5.565 0 40 IKAB C/C(=C\CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 118915966 KGICHBLSYNZKLD-QFCDTREMSA-N 446.719 8.446 0 40 IKAB Cc1cccc(-c2noc(CNC(=O)c3ccc(OCCSc4ccccc4)cc3)n2)c1 219266046 GVYPIEFCURUVMR-UHFFFAOYSA-N 445.544 5.146 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222861375 JSUMRJGVCGNKAK-SFHVURJKSA-N 445.003 5.174 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 223085767 RDONNVHAQOBAAP-DQEYMECFSA-N 445.636 5.248 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109658 WEBQKYHPYCZXSJ-JWQCQUIFSA-N 446.620 5.576 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 223181597 ZYAUMIBIOYFNGI-JOCHJYFZSA-N 426.626 5.199 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 223595753 GJCWXLLSNWDVGM-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223793398 KZRFFCRUUGCZFQ-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1 224134159 JEADMQXLDNQJIJ-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)c(C)c1 224202138 HSQJASWEJQSJDB-UHFFFAOYSA-N 430.331 5.819 0 40 IKAB COc1ccc(OCc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc2OC)cc1 224272709 KPYOJQPZGFBZLL-INIZCTEOSA-N 425.912 5.427 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224311053 PRZSSRNTTSRVJX-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1 224365645 HIRUDNWWFVOKGE-UHFFFAOYSA-N 429.560 5.759 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 224429886 OGYHOCTXSAXKKX-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3Cl)c2)cc1 224482740 HHXBXXYRHDTHJP-UHFFFAOYSA-N 437.967 6.913 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C(C)C 224568301 XFXNNZLCTKGMOZ-UHFFFAOYSA-N 431.532 6.243 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 224638977 DFZNAYKLZWRXLM-FQEVSTJZSA-N 425.528 6.309 0 40 IKAB O=C(O)[C@H](Cc1cc(Cl)ccc1Oc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225133949 NNZHUEQHTGNZQT-SANMLTNESA-N 444.914 6.874 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)ccc21 225166192 YMSPBSGYROPNAU-UHFFFAOYSA-N 444.000 5.148 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 225340859 OOVKKUJBEJOBBE-PKTZIBPZSA-N 434.609 5.602 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225362463 FJOKXPDGRUFHBE-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1c(Cl)cccc1Cl 225810703 CYUXUQFSFTUMGK-UHFFFAOYSA-N 438.298 5.441 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4cc(OC)ccc4[nH]3)o2)c1 257336217 YNOTYTWGZKXILL-XMMPIXPASA-N 445.519 5.131 0 40 IKAB CCn1c(S/C(=C\c2ccc(SC)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635326 ZHCGIWLGGOIAKX-ATVHPVEESA-N 431.970 5.558 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N2CCC(Cc3ccccc3)CC2)cc1 408675788 KMJABSALUCUBHN-UHFFFAOYSA-N 436.555 5.579 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)c1 408699186 VHNKAYREYPCHLO-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Oc1nc(-c2c(OCc3ccccc3)ccc3ccccc23)nc2sc3c(c12)CCCC3 408735926 ZKKMQBNSYIMJLL-UHFFFAOYSA-N 438.552 6.675 0 40 IKAB CCOc1cc(/C=C2/N=C(c3sc4ccccc4c3Cl)OC2=O)ccc1OC(C)=O 408990735 LPQYQXWTZIRVMW-XNTDXEJSSA-N 441.892 5.223 0 40 IKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1c(C)cc(C)cc1C 409087589 IZEGRNVSSPYBIF-QFEZKATASA-N 431.557 6.285 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2C(=O)O)cc1 409182023 HMGFZQALNXUFBB-MHZLTWQESA-N 448.522 6.059 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2F)C1=O)c1ccccc1 409220123 UNCAKXRXHUSJNU-OEAKJJBVSA-N 447.487 5.324 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OCC)c2)C1=O 409230839 GFLDPUAXTOOISA-DEDYPNTBSA-N 445.968 6.072 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 409234824 MVFXATJTKHAKNN-VBEHJTROSA-N 449.334 5.667 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)O[C@H]2C(C)C 524733562 WCOFHAMHJJNIMX-ICSRJNTNSA-N 445.581 5.480 0 40 IKAB CCCc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3cccc(OC)c3)O[C@H]21 585264865 RIMRCVOLYDYAAC-KNAFXUBQSA-N 438.564 5.599 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccc(F)cc1)CO2 2037845775 KUHWGMRHIYTGQP-QHCPKHFHSA-N 446.522 5.412 0 40 IKAB CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1cccc(Cl)c1 930693 QDJKWSJXBGEMLK-UHFFFAOYSA-N 431.923 5.303 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 982728 ZNTIFCZYTDMHHM-SANMLTNESA-N 430.573 5.584 0 40 IKAB O=S1(=O)c2ccccc2N[C@@H](c2ccc3c4c(cccc24)CC3)N1Cc1ccccc1 1101087 SGYPOSQDNJCKRG-AREMUKBSSA-N 426.541 5.254 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 1378387 WPVAPNAFWXTYAP-UHFFFAOYSA-N 431.580 5.498 0 40 IKAB Clc1ccc(-n2cnc(-c3ncn(-c4ccc(Cl)cc4Cl)n3)n2)c(Cl)c1 1393870 PGKMJJSTERPYTH-UHFFFAOYSA-N 426.094 5.129 0 40 IKAB O=C(OC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 1688528 ARUBUBJNDDZSTJ-CLJLJLNGSA-N 441.571 5.051 0 40 IKAB Cc1ccc([C@H](CCNCc2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1 1830590 FRPNQBNPDZCRET-LJAQVGFWSA-N 431.620 6.881 0 40 IKAB biogenic Cc1ccc(C(=O)COC(=O)c2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1C 2078776 LGMHUOBOKWTIEV-UHFFFAOYSA-N 444.490 6.087 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 2093784 YPFXPCQWPFZRCQ-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OC 2170396 DQQCXFURWMXLFH-UHFFFAOYSA-N 432.236 5.518 0 40 IKAB COc1ccc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)cc1 2262365 BFABAGBAHZPOGN-UHFFFAOYSA-N 437.503 5.034 0 40 IKAB CCOP(=O)(OCC)[C@H](NC(=O)c1cccc2ccccc12)C(Cl)(Cl)Cl 2323137 ASVZHKGQNHXEDR-INIZCTEOSA-N 438.675 5.532 0 40 IKAB CC(C)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 2403377 PBEBKQAOVNBLJL-UHFFFAOYSA-N 428.536 5.769 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O 2415745 ONPSBBRAOYBSGM-NRFANRHFSA-N 425.912 5.115 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccccc3F)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2434914 XLMBNWJPUUZCQU-UHFFFAOYSA-N 427.479 5.216 0 40 IKAB Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cccc(C)c2)cc1 2450868 KXUUSWIBGZHRMT-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1 2625420 HSDOMXRHPCBLJL-UHFFFAOYSA-N 445.386 5.090 0 40 IKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Br)ccc1Br 2647613 VZOOFSAJZYAAGT-UHFFFAOYSA-N 433.527 5.191 0 40 IKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 2714612 VNQYGXXVMOABIO-UHFFFAOYSA-N 440.934 6.883 0 40 IKAB Cc1cccc(OCCOc2ccc(Cl)cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 2983946 KFNYCOLGSMCDCZ-CJLVFECKSA-N 433.891 5.451 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c1 3256394 HAUVYBBAPNLZMS-UHFFFAOYSA-N 426.354 5.023 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)cc1C 3289489 IFOHGRUZTQWARH-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CC=C(c3ccccc3)CC1)oc1ccccc12 3292527 OXNVDTPFHPOECC-GOSISDBHSA-N 426.516 5.711 0 40 IKAB FC(F)Oc1ccc(Nc2nc(CN3CCCCC3)nc3sc4c(c23)CCC4)cc1 3299065 YCODAPXSDFFJGO-UHFFFAOYSA-N 430.524 5.511 0 40 IKAB CCN(CC)C(=O)[C@@H](C)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O 3840663 ZQCZCDVKIPCHEE-SVZXJXMESA-N 446.682 5.429 0 40 IKAB biogenic,in-vitro CC1(C)CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC[C@@]56O[C@@H](CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@@H]2C1)C6(C)C 4972899 JVGFZGDTAYCUDA-LGIOTMABSA-N 426.729 8.409 0 40 IKAB CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 7999098 VKHAHZOOUSRJNA-PWOFSUAHSA-N 429.604 5.407 0 40 IKAB CCc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc23)cc1 8383526 MWTFZPZAZHDPMZ-UHFFFAOYSA-N 428.963 7.295 0 40 IKAB CSc1c(C)c(-c2ccccc2)n(-c2ccccc2)c(=S)c1C(=O)c1ccccc1 8384909 DXHGRHXKVMHXMB-UHFFFAOYSA-N 427.594 7.135 0 40 IKAB COc1ccc2nc(SCc3csc(N(C(C)=O)c4ccccc4OC)n3)[nH]c2c1 8758717 FBHYCKSWIVLCJC-UHFFFAOYSA-N 440.550 5.014 0 40 IKAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OCC 8791991 DDGXZSMULMYAAK-FCAYZRQCSA-N 448.607 5.600 0 40 IKAB biogenic CC(=O)C1=CC[C@@H]2[C@H]3CC[C@H]4C=C(OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@@]12C 9065416 LISUREDJGUCUNG-IUYRIBMVSA-N 439.640 5.677 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnc(-c2cccs2)o1 9154269 VTSZEXUTAQXJAR-UHFFFAOYSA-N 437.933 6.111 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 9375590 XWMKJAJCWZNSLD-UHFFFAOYSA-N 437.927 6.079 0 40 IKAB Clc1cc2c(c(CSc3nnc(-c4cccs4)n3-c3ccccc3)c1)OCOC2 9442568 MYWROKNHPLRTRH-UHFFFAOYSA-N 441.965 5.808 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)N1CCc2ccccc2C1 9477258 LBTWRRRAXTZRKG-UHFFFAOYSA-N 445.902 5.077 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(-c5ccccc5)cc4)cc3)oc2cc1C 10120331 IJPQYMMHZBXFRG-UHFFFAOYSA-N 432.523 6.709 0 40 IKAB Cc1cc(Nc2ncnc3c2cnn3-c2ccc(Cl)c(Cl)c2)ccc1Br 10253830 BWWPYROJMUXPRL-UHFFFAOYSA-N 449.139 5.937 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 12442011 MBWQIBRHLRDRCR-UHFFFAOYSA-N 442.903 5.358 0 40 IKAB O=C(Cc1coc2cc3c(cc12)CCC3)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12529319 UNDSEXBYPIFMPE-VWLOTQADSA-N 435.527 5.441 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Cl)cc3Cl)c2n1 12532480 PMQGTSABQPEQIV-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB COc1ccc(-n2c(/C=C/c3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1 12566675 NENKDRGSJBTAAW-NTEUORMPSA-N 432.520 5.644 0 40 IKAB COc1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 12780580 MORYFTWLYOVSGT-QGZVFWFLSA-N 448.548 5.023 0 40 IKAB COc1ccc(CNC(=O)CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)cc1 13015283 PEFJUMRPNFQGED-UHFFFAOYSA-N 444.556 5.328 0 40 IKAB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1cccc2ccccc12 13892805 UECOSOLTIMAGLM-UHFFFAOYSA-N 439.565 6.243 0 40 IKAB Cc1cccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)c1 13940533 UFYHGXUISKPFGI-UHFFFAOYSA-N 430.895 5.339 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 14155564 QTNFQIUPRYYFSM-UHFFFAOYSA-N 436.577 5.536 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14261453 OPQLNAMYIXGVFR-UHFFFAOYSA-N 432.268 5.044 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 14273641 DGGYLIWMXGIYDG-UHFFFAOYSA-N 443.591 5.296 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc(C)c1Cl 14399254 YBSNDRWHELUXRG-CQSZACIVSA-N 446.827 6.081 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 16161944 VTZQVFXEUHMHRS-FNUHDPNESA-N 445.371 6.415 0 40 IKAB COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCc4ccco4)sc3c2c1 16846873 ZKCLIWYKOJUPBO-UHFFFAOYSA-N 442.540 6.081 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 17098926 IZFPUBNVNPMEDE-UHFFFAOYSA-N 434.517 5.719 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 17344584 QQICRVJSBTVZQS-AWEZNQCLSA-N 441.603 5.616 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2o1 18116719 KOARQVAWYARSNF-UHFFFAOYSA-N 439.323 6.794 0 40 IKAB CCc1oc2ccccc2c1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19521356 WKYZAVFTGFUEMZ-KBMIEXCESA-N 433.596 5.506 0 40 IKAB COc1ccccc1-c1ccc(CN2[C@@H](c3ccccc3)C[C@@H]3NC(=O)CCC[C@H]32)cc1 19713919 LICJUHANAVQSES-JIMJEQGWSA-N 426.560 5.347 0 40 IKAB COc1cc(NC(=O)c2cc(Br)ccc2Cl)ccc1-c1ccc(CO)o1 20138508 XYSIGQRROCTYFM-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 20453233 OCAPITYFOITURM-UHFFFAOYSA-N 430.529 5.130 0 40 IKAB CCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCc1ccc(Cl)cc1Cl 22110378 CVQQSJAVJYJRCU-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(F)c2)c2ccccn2)c1C 26770921 VITIGZVQMOMUFS-HSZRJFAPSA-N 431.536 6.353 0 40 IKAB Clc1ccc(-c2nnc(SC[C@H]3CSc4nnc(-c5ccccc5)n43)o2)cc1 32906001 SFRNUGKCCHACSJ-OAHLLOKOSA-N 427.942 5.088 0 40 IKAB Cc1ccc(-c2csc(SCc3noc(CCC(=O)Nc4ccccc4)n3)n2)cc1 33087413 FUBAXLPRBLETLZ-UHFFFAOYSA-N 436.562 5.365 0 40 IKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccc(F)cc4)sc4c3CCCC4)n2)cc1 35671270 QJCISEDKCKUUHJ-UHFFFAOYSA-N 433.508 6.044 0 40 IKAB CC(=O)Nc1sc(NC(=O)COc2cc(C)c(Cl)c(C)c2)nc1-c1ccc(C)cc1 35671508 XORNPZCLMIDUNG-UHFFFAOYSA-N 443.956 5.365 0 40 IKAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl 38752077 WSDBXKYRYBZDOB-OAQYLSRUSA-N 436.360 5.378 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 39768128 OIKOXESUJCLDNC-UHFFFAOYSA-N 429.539 5.804 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3cccc(Cl)c3)CC1)CC(C)(C)O2 44855230 QJUYQNNRSCOVMV-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB Cc1cccc2sc(OC3CCN(C(=O)c4cccc(Br)c4)CC3)nc12 49431597 BMCYZIPILKYCEH-UHFFFAOYSA-N 431.355 5.051 0 40 IKAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)c(Br)c1 64472002 XTRZRORSTISAQG-UHFFFAOYSA-N 444.760 5.939 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C(C)C)cc1 65322325 NRVMHVBADDFYDH-UHFFFAOYSA-N 434.584 5.175 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(C(C)C)c3)oc12 67295613 OMVJLEKNLJUENC-SGEDCAFJSA-N 427.504 5.753 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC4 72332900 MCSMMGJCXCBSKD-RDDAHLCPSA-N 426.729 8.313 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)N3CCO[C@@H](c4ccc(C)o4)C3)c3ccccc3n2)cc1 89652678 GKQXDWYJPUUOIB-RUZDIDTESA-N 428.488 5.026 0 40 IKAB CCN(CC)[P@](/C=C1\N(C)c2ccccc2C1(C)C)(=Nc1ccccc1)c1ccccc1 89969014 YYMRIGWQLKKTNY-LQMSLZSXSA-N 443.575 7.371 0 40 IKAB C[C@@H](Oc1ccc(Oc2nc3cc(Cl)ccc3o2)cc1)C(=O)N(C)c1ccccc1F 96330773 BNCYLJKXGGTAOK-CQSZACIVSA-N 440.858 5.843 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 100612818 VVZPDOBDYXKVPZ-RNODOKPDSA-N 439.503 5.275 0 40 IKAB CC1(C)CC2=Nc3ccc(C(=O)c4ccccc4)cc3N[C@H](c3ccc(F)cc3)C2=C(O)C1 102499987 FBSKFGPMNLYLJW-AREMUKBSSA-N 440.518 6.928 0 40 IKAB CC1=C(C(N)=O)[C@H](c2ccccc2)N2C(c3ccc(C4CCCCC4)cc3)=CSC2=N1 108101377 JMDHOTIJRZDPDH-DEOSSOPVSA-N 429.589 5.952 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(C)c2C)cc1 108993424 PVONLFYZUQZJDX-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 222684293 YZYXAYNRCWHIMY-ONGXBYRLSA-N 443.403 6.159 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 222805348 YOJIDVNCYXJUFR-RBUKOAKNSA-N 446.345 5.236 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222921092 HTWVEPUCGNGQQF-GOSISDBHSA-N 429.582 5.507 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1Cl 222936004 LTIHSIKQJVGZKY-UHFFFAOYSA-N 432.303 6.445 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 222981772 VEEDZISKSNWUNY-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 223361527 GHCQNKGNBOXQNI-YADHBBJMSA-N 435.936 5.761 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 223402629 OKQDQIFWZKHEDA-NRFANRHFSA-N 445.003 5.058 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C 223470605 NXQZFEKJOMZHPR-SFHVURJKSA-N 433.423 6.008 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 223634477 XZHJNWGWNLLWNO-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 223817676 UMRBTHOXAAJKSL-QHCPKHFHSA-N 442.575 5.052 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224094018 CSCONTTVYUSRSN-MRXNPFEDSA-N 436.027 5.993 0 40 IKAB CN(c1ccc(C(=O)Nc2ccccc2)c(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224245064 NKALGSQLPSFYON-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224271530 GNPPFVFWODJSMH-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224363225 NJLWZYPBNKNMNS-DQEYMECFSA-N 442.588 5.825 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1CSc1ccc(Cl)cc1 224675371 PIFPVHRYRZTQSB-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961246 MUEJGWOUHBSTML-UHFFFAOYSA-N 428.259 5.236 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225132065 NZHIQFIBHOXKIF-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225348638 JEXGWHXMOZXXBR-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3cccs3)OC2)c2ccccc12 225921833 KBMOIFOUPVRCGC-UHFFFAOYSA-N 425.550 5.627 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 257245626 IQJJCOXVRPRVCI-QHCPKHFHSA-N 436.555 5.084 0 40 IKAB CC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2cc(Br)ccc2O)C1 257254276 KCLAZOHFQVEPIC-XUVXKRRUSA-N 438.749 5.296 0 40 IKAB COc1cc(C(=O)Nc2ccccc2F)cc(Br)c1OCc1ccc(C)cc1 408552178 HVJJPEPNNRTPKL-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 408604588 VOYGEXVPYTZLTO-YBFXNURJSA-N 444.940 5.112 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 408685342 PCTGWNUMWBIOFG-JOCHJYFZSA-N 443.362 5.546 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724947 NFHPOPZTYVWVMH-UHFFFAOYSA-N 447.513 6.906 0 40 IKAB Cc1sc2nc(-c3ccc(OCc4ccccc4)c(Br)c3)nc(O)c2c1C 408734470 GSJXYKISKGWOIG-UHFFFAOYSA-N 441.350 6.022 0 40 IKAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)cc1Cl 408782192 WPXDREBXNBQKLA-UHFFFAOYSA-N 437.005 5.203 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975976 DGNJEPNFTUFRCY-UHFFFAOYSA-N 430.556 5.956 0 40 IKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1cccc2ccccc12 409089986 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C[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)C1 644186 KWCZNOWDQRRZIQ-GFCCVEGCSA-N 425.743 5.771 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ncc(Cc2ccccc2Cl)s1 848381 AEMGYILRNIECEY-UHFFFAOYSA-N 426.847 5.424 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N1c2ccccc2CCc2ccccc21 882310 RJVLKHBNINKHKP-UHFFFAOYSA-N 447.947 5.946 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C[C@H]1CCCO1 894970 KBRBFFUJZKVLBF-JOCHJYFZSA-N 449.620 5.085 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccccc1 900689 PYZLHILFNNWQBM-IBGZPJMESA-N 428.561 5.421 0 40 IKAB O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1ccc2ccccc2c1 991940 IDDMFIGNZORHGD-UHFFFAOYSA-N 425.509 6.586 0 40 IKAB Cc1sc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C(N)=O)c1C 995898 ZQVUZRLPMHNOFD-UHFFFAOYSA-N 435.936 5.585 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)o1 1341826 AVVGETJCUYJYKS-XMMPIXPASA-N 434.536 5.635 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccccc3)c3ccc(Cl)c(C)c3n2)cc1 2079545 ZXCDDLLTELVZKF-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB CC1=CC(C)(C)N([C@@H](C(=O)Oc2ccccc2)C(Cl)(Cl)Cl)c2cc(C)ccc21 2270929 CVWKXUHVOGTPHL-IBGZPJMESA-N 438.782 6.341 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccccc1Cl 3033256 CULSMDQKMVXVJX-UHFFFAOYSA-N 432.936 5.590 0 40 IKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(Br)cc1 3329520 WXDGNKXTEZASJN-JOCHJYFZSA-N 434.289 5.711 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=S)N1 5066577 LXYZFYZHIWAOGX-HSZRJFAPSA-N 430.529 5.015 0 40 IKAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 6323496 ZYELOBZZFNVDJV-INIZCTEOSA-N 428.598 5.429 0 40 IKAB CCCCCCN(CCCCCC)C(=O)c1cc(-c2ccc(C)s2)nc2ccccc12 8396763 MHRVPZQVTQYIOU-UHFFFAOYSA-N 436.665 7.875 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)Cc1ccsc1)c1ccccc1 8687011 MESLEGRAQKZXDF-VWLOTQADSA-N 432.589 5.514 0 40 IKAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)c1 8752441 GYCKDLZYBMAMND-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@H](C)C2 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Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccccc1 9382850 LQPGRBXHYXWONN-UHFFFAOYSA-N 444.585 5.293 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1 9387224 YKAOYVWNXVDZHV-OAQYLSRUSA-N 430.548 5.431 0 40 IKAB Cn1c(NC(=O)C2CCCCC2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 9450555 PTTZUXHIIAPPPZ-UHFFFAOYSA-N 429.347 6.031 0 40 IKAB Fc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1 9676109 LAVMHUAQYMJVPP-UHFFFAOYSA-N 436.259 6.281 0 40 IKAB CCCCc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCOCC3)n2)cc1 9708841 CDFLDVHVJZBZJP-UHFFFAOYSA-N 438.963 5.191 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](c3ccccc3)c3ccc(Cl)cc3)o2)c(OC)c1 9799863 FIGMGHVTKAGGFX-NRFANRHFSA-N 438.936 6.289 0 40 IKAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(Cl)cc1 9855874 GELZWDPOMLBIFM-UHFFFAOYSA-N 444.918 5.087 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)c(C)c3)c2c1 9969874 QWOVVUONSXJDJL-UHFFFAOYSA-N 432.545 5.827 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc(OC)c1OC 10120153 YTTMWBNWDPWKHU-UHFFFAOYSA-N 432.476 5.390 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 12124383 APXHILLUAHEILA-XNMGPUDCSA-N 442.559 6.244 0 40 IKAB CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12242063 VKBPAJWOOFYZPR-UHFFFAOYSA-N 437.540 5.305 0 40 IKAB COc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419709 MVZXFYFMVCVAKB-UHFFFAOYSA-N 446.937 5.642 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 12569453 SIZHWEDDBYANTE-FQEVSTJZSA-N 431.542 5.405 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1 12660087 COGZGMNTPXRPRY-NUFLADBHSA-N 441.656 5.779 0 40 IKAB biogenic O=C(c1ccccn1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 12930328 TZVXTVRNXXIVDB-MRXNPFEDSA-N 433.455 5.050 0 40 IKAB CCOc1c(Br)cc(C(=O)N2CC[C@H](C)Sc3ccccc32)cc1OC 12933542 GWTLYZZEGUWSOK-ZDUSSCGKSA-N 436.371 5.388 0 40 IKAB S=c1n(CN2CCc3ccccc3C2)c2ccccc2n1CN1CCc2ccccc2C1 13041564 RIUJAGDSPMHRAS-UHFFFAOYSA-N 440.616 5.204 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccccc2Oc2ccccc2)n1Cc1ccccc1 13117042 FBYARWFRIJDHAP-UHFFFAOYSA-N 430.533 5.158 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O 13770281 LNTRJTHXPKASLK-DSITVLBTSA-N 440.543 5.344 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cccc5ccccc45)ncnc32)cc1 13804138 BDRGHXLMIZXACS-UHFFFAOYSA-N 425.517 5.008 0 40 IKAB CC1(C)Cc2c(sc3c2c(N)nc(=S)n3Cc2ccc(Br)cc2)CO1 13865264 BQAFOLTWQITHBF-UHFFFAOYSA-N 436.400 5.072 0 40 IKAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 13947198 HEZDBHXJCYWYLL-OAHLLOKOSA-N 427.397 5.018 0 40 IKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)Nc1ccccc1F 16492000 SCMDUIZNOAHEIF-UHFFFAOYSA-N 434.474 6.747 0 40 IKAB CC[C@@H](CCNC(=S)Nc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 16611325 OEHAPEHRQXUBBU-HNNXBMFYSA-N 441.453 5.435 0 40 IKAB CC[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16757971 WIHPLQVNCKYQRM-HNNXBMFYSA-N 438.394 6.741 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 17095278 WSPNDKXFYMVCTI-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Cl 17095621 FTOFYPGMPRRJEN-UHFFFAOYSA-N 427.759 6.144 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)cc1Cl 19631014 GXAVUYSCVWOONJ-UHFFFAOYSA-N 440.135 5.141 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 19631987 WDJJMMBJNSUVID-MDWZMJQESA-N 440.543 6.896 0 40 IKAB COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)c(OC)c3)c2Cl)cc1OC 19637457 KJLYZQYDGPHCLC-UHFFFAOYSA-N 442.943 6.020 0 40 IKAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1OC 20633433 IHZMQYXVQPGYGI-XMMPIXPASA-N 449.551 5.466 0 40 IKAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC[C@@H]3c3ccc(OC)c4ccccc34)c2c1 20729509 YZGSNPDDOYRMNG-NOZRDPDXSA-N 430.504 5.301 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Oc2ccccc2)cc1 21114260 PFRDTFRXSRVEIE-UHFFFAOYSA-N 448.547 7.522 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccccc2Cl)c1 22258600 QSNXVSZDTODCAP-UHFFFAOYSA-N 448.950 5.797 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 22275461 FDKWHRWGNKNQMX-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)oc2c(F)cccc12 23265332 FBFNZRJKBZSOMW-UHFFFAOYSA-N 430.646 5.636 0 40 IKAB COC(=O)c1cnc(NC(=O)c2ccccc2CSc2nc3ccccc3s2)s1 32843454 APLJDCFVJWQHHD-UHFFFAOYSA-N 441.559 5.084 0 40 IKAB CC(C)CCCCCCCCCCCCCCC(=O)O[C@@H](C)C(=O)O[C@H](C)C(=O)O 33637020 STCSWZPJESBYAV-RTWAWAEBSA-N 428.610 6.052 0 40 IKAB c1ccc([C@@H]2[C@H](c3ccccc3)N[C@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1 35188526 CXHSWOPDKRTKSI-XKKJXBDVSA-N 449.597 7.823 0 40 IKAB O=C(Nc1ccccc1)[C@H](Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccc1 40155586 YOCBZRLVVJKWPP-OAQYLSRUSA-N 425.517 5.250 0 40 IKAB CCc1nn2c(nnc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40395899 WKRJCPGBTOVAQV-UHFFFAOYSA-N 433.943 5.213 0 40 IKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)n1 44087487 PYKLEESDQXNLQD-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB CC(=O)N[C@@H](C)c1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1 58310956 RZHUSCFFCYKNSR-AWEZNQCLSA-N 446.532 5.223 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C 67216914 BKQGXIFMPHFFHG-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)c2cccc(Cl)c2F)n1 72361467 LOTWDTAPJSDVGY-INIZCTEOSA-N 431.924 5.063 0 40 IKAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 89618691 RRAUAAMRIRBNIR-UHFFFAOYSA-N 443.421 5.485 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)Nc3ccc4[nH]c(C(F)F)nc4c3)s2)cc1OC 95443757 FFMQXASEVPTTBK-UHFFFAOYSA-N 444.463 5.202 0 40 IKAB CC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 97105096 JUXIAYRCBLRMBO-JOCHJYFZSA-N 430.895 5.483 0 40 IKAB CCOC(=O)c1sc(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)c(C(=O)OCC)c1C 101872333 HHCBCWOLTOIXIS-CDZRIVGQSA-N 447.597 5.345 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(OC)c(Cl)c3)c3ccccc3C2=O)cc1 103004418 BYRCEILJFFJPJL-RCCKNPSSSA-N 448.906 5.387 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 104749350 ZQKWKTTTZPVRJY-IHFIDZABSA-N 436.621 5.589 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1C 107037894 QYHNVCXGEDWSIU-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222866006 VOCLROKIZYWNAU-VQTJNVASSA-N 431.392 5.562 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 223806293 IQRQVRTZJIMMHT-JOCHJYFZSA-N 434.624 5.527 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)cc1C 223969661 SNRUVIXHWIFUAG-HSZRJFAPSA-N 440.540 5.124 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 224393429 FVHFPSBVIBKTJF-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB O=C(NCCCc1cccc2ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1 224589117 PICRHHMZUHMHSZ-PLRJNAJWSA-N 440.568 5.421 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 225199888 XIVNIUQIXVDEHZ-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NCc2ccc(Cl)cc2Cl)n1 225203952 MLUFBGUXNIVSQK-UHFFFAOYSA-N 436.343 5.461 0 40 IKAB COc1ccc(/C=C/C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)cc1 225255406 XIIMTEHXOHLIGU-KKTPBOSZSA-N 449.601 5.351 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225628454 GAERAASUBPGCPA-IERDGZPVSA-N 435.395 5.258 0 40 IKAB 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(C)CCc2ccccc2)C1 253612468 QXDFHJAYYMOLSW-OHAKMAAKSA-N 436.680 7.600 0 40 IKAB CC(C)n1cc(CN2CC[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc21 257339599 ZCKRLWNVEXXKTD-LJQANCHMSA-N 445.632 6.128 0 40 IKAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)C2CCCCC2)CC1 257340286 ZFJDXLVGCBDXDI-MXVIHJGJSA-N 442.648 5.052 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@@]12C 257752788 ZCBDFGFNCFLBOL-PIUIFUECSA-N 426.729 8.335 0 40 IKAB CCc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408671561 ZCYYRQRECRMKTM-PJYWLYPCSA-N 448.349 5.347 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 408672413 WKQTWJQKKCBXIU-UHFFFAOYSA-N 447.487 5.231 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)NC2CCCCC2)c1C 409110926 AUESMVYICQNUIU-UHFFFAOYSA-N 448.972 5.201 0 40 IKAB Brc1cc(Br)c(OCc2ccccc2)c(CNc2ccccc2)c1 409113416 IBRASHUNKTZDGQ-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 409194156 NNBOPNAQQUBLIF-UHFFFAOYSA-N 426.335 6.313 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O)c1ccc(Cl)cc1 409354496 GNIJGHNFTVHVCT-CHHVJCJISA-N 442.707 5.272 0 40 IKAB O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc(-c2ccsc2)s1 618255766 ITCWRFWEZIFKJW-INIZCTEOSA-N 436.396 5.022 0 40 IKAB COC(=O)c1sc(-c2ccc(F)cc2)c2c1NC(=O)C2(c1ccccc1)c1ccccc1 685943954 POXCLKLQLPXXOD-UHFFFAOYSA-N 443.499 5.627 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@H]21 1547139782 PNEZUKVPMORBBH-DLRXVWRPSA-N 434.580 5.042 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 2062666 VMKJIYJVHVBZCT-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3C)c2c1 2079800 DJIMMJHUFGIYCE-UHFFFAOYSA-N 445.360 6.787 0 40 IKAB COc1ccc([C@H]2C(CC(=O)O)=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 2202089 QWJPYONHZOMBJK-SANMLTNESA-N 442.515 5.241 0 40 IKAB CC(C)CCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCC4 2391050 HFSAQNCSNVYNNP-UHFFFAOYSA-N 440.663 6.258 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1ccccc1 2636504 WYDWCMDRUZYXHZ-FQEVSTJZSA-N 446.881 6.951 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccc(COc2ccc3c(c2)CCC3)c1 2769836 BLSGNSUIVHPYFH-UHFFFAOYSA-N 427.422 5.905 0 40 IKAB Cc1ccc(Nc2sc(C(=O)c3ccc(Cl)c(Cl)c3)c(N)c2C(N)=O)c(C)c1 3263775 MEYHHXQJQUPZIQ-UHFFFAOYSA-N 434.348 5.327 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc4c(F)c(F)c(F)cc4s3)c3ccccc3n2)cc1 3271908 DJNMRUXUBUONFC-UHFFFAOYSA-N 449.457 6.490 0 40 IKAB C[C@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 3328842 CHYNHYVUWQPCDT-INIZCTEOSA-N 440.590 5.080 0 40 IKAB CCOc1ccc2oc(C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)c(C)c2c1 3336894 XKGRDGGASQGUNM-CYBMUJFWSA-N 428.941 5.931 0 40 IKAB Cc1ccc(-c2nnc(-c3cc(-c4cccs4)nc4c3c(C)nn4-c3ccccc3)o2)o1 3399444 BWZDUBOIINVGRQ-UHFFFAOYSA-N 439.500 6.076 0 40 IKAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)N1c2ccccc2Sc2ccccc21 3431309 ZLJBEWMVVZWUIT-UHFFFAOYSA-N 442.496 5.636 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C)c(Cc3cc(Cl)ccc3Cl)s2)cc1 3434881 TVPIEUXKVYDNFM-UHFFFAOYSA-N 437.417 6.388 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 4786796 SMIDDVWKIBVAOA-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415096 DRDUQVFWPGUPNZ-WMZHIEFXSA-N 435.527 5.320 0 40 IKAB biogenic,in-vitro COc1ccc(OCc2ccc(C(=O)Oc3cccc(NC(=O)c4ccco4)c3)cc2)cc1 8449866 XKJUCIWKPFDNKZ-UHFFFAOYSA-N 443.455 5.339 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)cc1 8670329 OSHNRYNXZWXDLB-RUZDIDTESA-N 446.547 5.352 0 40 IKAB COc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1NC(=O)c1cccs1 8832304 JWHXVXAUSPUDLQ-UHFFFAOYSA-N 444.940 5.459 0 40 IKAB O=C(O)[C@@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)C(=Nc2ccc(Cl)cc2)S1 8856156 HLPZEZRNGAXCJH-HAVBXNNZSA-N 447.000 5.353 0 40 IKAB CCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9130343 RZXMOFJPBQYWQC-FQRUVTKNSA-N 442.559 6.009 0 40 IKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2cccc(Cl)c2)c(=O)c2ccccc21 9327886 QPQOOONFLKIFEG-UHFFFAOYSA-N 444.962 6.409 0 40 IKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(OC)cc1OC 9375620 VBARKUHSBMWAHE-HSZRJFAPSA-N 435.501 6.641 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc(OC)c1OCc1ccccc1 9516930 DOIUUTIISHPNCS-RUZDIDTESA-N 430.504 5.012 0 40 IKAB Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(-c3ccccc3)n(C)c3ccccc23)o1 9668380 XXRMBWRHOPERQT-NDEPHWFRSA-N 432.523 6.492 0 40 IKAB CCC[C@@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 9832159 HEMVGBZDTJYRRQ-CRAIPNDOSA-N 426.611 5.480 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3cccc(Cl)c3)n2)cc1 9907548 OLNWLSOZOBCQTQ-UHFFFAOYSA-N 445.954 5.461 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C)c2C)cc1Cl 10119197 AQAOYDINCNJDOJ-UHFFFAOYSA-N 432.907 5.707 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 10129666 WLHRNPWPGSUMEB-QWRLVCTISA-N 444.575 5.756 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC 11866291 AGYFVIFOPYXXGZ-UHFFFAOYSA-N 448.906 5.766 0 40 IKAB biogenic O=C1CS[C@@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 12376189 KPUHMRRRHRPGQM-PSWAGMNNSA-N 432.570 5.244 0 40 IKAB CCc1ccc(N[C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(SC)cc2)cc1 12413403 GHPPBEQDNXYZNH-SANMLTNESA-N 431.645 7.695 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)ccc2OC)cc1 12589497 NEDNYNUSXNGYKK-NRFANRHFSA-N 449.572 5.894 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccncc1 12608201 DWVUZDYHLSXOKI-MRXNPFEDSA-N 434.952 5.655 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 12799386 HZMLYGNMTCBKPQ-QKIXSCASSA-N 444.560 5.107 0 40 IKAB Nc1cc(Cl)ccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 13148901 XXXTVSLJAFDGGC-UHFFFAOYSA-N 447.343 5.522 0 40 IKAB Cc1cc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12 13524030 SHGGKAQMLLHBSJ-NRFANRHFSA-N 426.585 6.253 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)cc1 13685639 PIBUVYRDTHOERA-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687701 UJJSNOLLDJDZOZ-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2NC(=O)c2ccccc2F)cc1 13731695 SKNITYXYMLPLJA-UHFFFAOYSA-N 442.556 5.294 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2CC)cc1 13871555 RBSOFEXTVRSVQK-QGZVFWFLSA-N 438.597 5.294 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccc(C)c(C)c2)cc2ccccc2c1Br 14270029 KQTZQTJZRARCMF-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413394 OICXRHKDKKTXMY-HHHXNRCGSA-N 426.560 5.856 0 40 IKAB CCOc1ccc2c(c1)O[C@@](c1ccc(C)cc1)(C(F)(F)F)N=C2Nc1ccccc1 15906396 ZCTYVJXHYRMTPJ-QHCPKHFHSA-N 426.438 6.060 0 40 IKAB Cc1ccc2c(CSc3nnc(NCc4ccc(F)cc4)s3)cc(=O)oc2c1C 16335368 GLTIBEBOTVICBX-UHFFFAOYSA-N 427.526 5.305 0 40 IKAB Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2Cc2ccco2)cc1 16789368 ZDVLYXXNPXUNIE-UHFFFAOYSA-N 427.476 5.377 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1C 17094258 NIECDHCWYBPZHJ-BQYQJAHWSA-N 425.120 5.181 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 19081918 AENVMVXRNXSSGZ-UTKZUKDTSA-N 434.411 5.504 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nc2c1 19636607 CEHPCGNPHTXBFC-GOSISDBHSA-N 442.559 6.897 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 19646184 OABLOHFFJNLIEX-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)ccc21 19933016 ARLGSCBIELNUMQ-UHFFFAOYSA-N 445.566 6.629 0 40 IKAB Fc1ccc(NC(=S)N2CCN([C@@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 20438019 QQBDMUPATHSDRI-QHCPKHFHSA-N 439.987 5.583 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)cc1 21577244 XCVGEDDRHSKXFE-UHFFFAOYSA-N 429.561 5.122 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)c1 21579231 LGEPLYHECPRJBZ-UHFFFAOYSA-N 434.495 6.274 0 40 IKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1ccc(C)cc1C 21785472 XHELPAAPKUZFAJ-UHFFFAOYSA-N 429.563 5.678 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22072581 HSXFQXGTLYXGMW-UHFFFAOYSA-N 442.224 6.283 0 40 IKAB CC(C)c1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 22274137 LEUGYTGFGKCHFW-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24831352 BXIHZWJRHPBXOH-ZCYQVOJMSA-N 440.499 5.070 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 26255326 XUGISPSHIFXEHZ-GPJXBBLFSA-N 428.701 7.960 0 40 IKAB in-vitro CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)COc1cc(C)cc(C)c1 28284445 QJXHPLVPDXIYRB-UHFFFAOYSA-N 437.561 5.843 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1C1CC1 29783806 VRRHVJBIWHZRFR-UHFFFAOYSA-N 442.544 5.624 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 32091721 BRYXTGQHKDVWIM-RUZDIDTESA-N 444.575 5.713 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(C)ccc4C)cc3)n2)cc1 32578692 QPSMYPOGZVHETH-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)n2)cc1 32624063 WTDGRJZLYLFCGJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cc(C)c2c(=O)cc(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)[nH]c2c1 33067689 RUEULRKGXDNFMC-UHFFFAOYSA-N 448.592 5.268 0 40 IKAB CC(=O)N[C@H](CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1 40033652 DYLYDZLEIUOJMP-YKSBVNFPSA-N 438.618 5.162 0 40 IKAB Cc1cc(C)c(Cn2c3ccccc3n3c(=O)cc(-c4ccc(Cl)cc4)nc23)c(C)c1 40484659 USBIHLPKICFKGV-UHFFFAOYSA-N 427.935 5.943 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(OC(F)F)cc2)cc1 44088192 KJTAVZFIUFXOPK-UHFFFAOYSA-N 431.508 5.066 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1 44935786 PHGOGZYTTZQNRV-QFIPXVFZSA-N 429.402 5.237 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N(Cc2ccccn2)C(C)C)c2cnn(C(C)C)c2n1 48260739 FMZAANSBZZDCIK-UHFFFAOYSA-N 427.552 5.433 0 40 IKAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 57312842 XOTDIEIQMASLOC-JXMROGBWSA-N 430.316 6.218 0 40 IKAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 67296346 MGFUPCUIBBWOPT-MEFGMAGPSA-N 425.366 5.211 0 40 IKAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)[C@H](c2ccco2)C1 72304656 CWYLHHPSQUCTAH-DVECYGJZSA-N 430.548 5.285 0 40 IKAB CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 103083475 JVJPQPSOCZAUMC-DXFLKOCDSA-N 434.561 5.245 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223043325 UANWIWGJVWFIFK-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223270992 GAGLAGRCJCRTRR-JOCHJYFZSA-N 426.626 5.118 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)c(C)c1 223450547 PGEWYXPUYMVBTB-LJQANCHMSA-N 434.374 5.536 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 223786280 RAHWKKYSBOHLBL-XMMPIXPASA-N 443.031 5.559 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224214866 QBADJMCVCCQBJY-ZEQRLZLVSA-N 429.520 5.966 0 40 IKAB Cc1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1N(C)S(=O)(=O)c1ccccc1 224295652 MYMFIASUFXMLMX-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 224425008 IVANZSHBXCMPHV-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1Cl 224479883 HCTBYNXSZNXFBM-UHFFFAOYSA-N 425.868 5.299 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc2ccccc2c1 224643136 PSEJQFKRQLVYNP-UHFFFAOYSA-N 441.483 5.799 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1 225335051 DIYNIFZNSXSCDV-VQTJNVASSA-N 429.998 5.761 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225588428 ZLTJNWULSNEGNI-AVRDEDQJSA-N 447.044 5.544 0 40 IKAB CC(C)COc1ccc(NC(=O)C(C)(C)Cc2ccc(Cl)cc2)cc1C(F)(F)F 225957065 MBQYVZWWJKTMBQ-UHFFFAOYSA-N 427.894 6.601 0 40 IKAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)c3cc4ccc(Cl)cc4[nH]3)CC2)n1 257201549 AIBUSPHIKDJPAV-UHFFFAOYSA-N 446.942 5.078 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@@H](Cc4cccc5ncccc45)C3)CCOCC2)c1 257283210 OXFRCBGOUTYKSE-QFIPXVFZSA-N 428.576 5.073 0 40 IKAB Cc1cc2cc(C(=O)N3CC[C@@H](c4c(C(=O)NC(C)C)sc5ccccc45)C3)ccc2o1 257306060 SSTFTKNAYXZTHC-GOSISDBHSA-N 446.572 5.724 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@H](c2ccc(Cc3ccccc3)cn2)C1 257343855 ZURGCJOBWCJDOJ-MHZLTWQESA-N 441.619 5.289 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCc1ccccc1 408556673 LCUBLVASRIKGNW-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@](O)(c2ccc(Cl)cc2)C1 408562858 FQEHAGRZWCTJKT-XMMPIXPASA-N 426.944 5.220 0 40 IKAB CCOc1cc(C(=S)NCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1 408575492 OOBBYWCYFCTSKA-UHFFFAOYSA-N 436.360 6.029 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1 408699910 WZRYHFXCXFTGIJ-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1cccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2sc3ccccc3c2Cl)c1 408841858 ICYBELLDUVCAKE-XMHGGMMESA-N 429.932 6.093 0 40 IKAB Cc1cc(C(F)(F)F)c2c(-c3ccc(Br)cc3)nn(-c3ccccc3)c2n1 408891891 DWLQNJNENWIRMU-UHFFFAOYSA-N 432.243 6.177 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1C 409106798 PEFAARFUOKYGTN-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc2cc(Cl)ccc2o1 409341983 AXJVYYXOFWBDIZ-UHFFFAOYSA-N 448.935 5.766 0 40 IKAB CC(=O)N1CCCCCCCCN(S(=O)(=O)c2cccc(Cl)c2)Cc2ccccc21 2037884943 KPFJJFAUBGYZFH-UHFFFAOYSA-N 449.016 5.238 0 40 IKAB Cc1ccc(F)cc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901164 ZXAONNRSXHJBAX-ZDUSSCGKSA-N 435.446 5.729 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 1940229 FLCJIRPEVLQBGX-OCCSQVGLSA-N 435.973 5.417 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 2161926 CXHFOBWNEJWKBI-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1Cl 2214615 HCWWVGLHVJEWIR-UHFFFAOYSA-N 443.684 5.869 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2229991 KUEFNEBNHVPUCL-UHFFFAOYSA-N 434.008 7.178 0 40 IKAB CC(=O)N(Cc1ccccc1)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 2275955 COKAWIXXGTXWHP-UHFFFAOYSA-N 437.539 6.398 0 40 IKAB CCCc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2292082 RDFZPNGGRAODOZ-UHFFFAOYSA-N 435.618 6.336 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccccc1Cl 2452799 MPFOLWNHEZMAJO-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)OCc1csc(-c2ccccc2)n1 2622053 PTVBQJLMZUJWHM-QHCPKHFHSA-N 442.540 5.415 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2703894 PRKLOAIORZBWOP-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB COc1cc(OC)c(Nc2nc(Cc3ccccc3)nc3sc(C)c(C)c23)cc1Cl 2910628 OFGJJDOALLRPFV-UHFFFAOYSA-N 439.968 6.313 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 3266966 ARMNUCLXJBNGMX-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cc(C(F)(F)F)ccc1Cl 3302318 BMMDKUIWIXLDQG-UHFFFAOYSA-N 448.249 6.022 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncnc2sc3c(c12)CCC3 3324037 PFDABFAOVGSQRI-UHFFFAOYSA-N 427.595 5.217 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 4163411 DKNPZRUGYWSHSX-UAOJZALGSA-N 444.457 5.157 0 40 IKAB Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1 8673664 AQQSEBIDPFWDBF-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB COCCOC(=O)c1c(C)n(Cc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc12 8783570 ZXRMRZRRWRURBF-UHFFFAOYSA-N 445.559 5.958 0 40 IKAB biogenic,in-vitro Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cc(Cl)ccc3C)cs2)cc1 8852981 ANVLSDSGHDEUBI-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)c1C 8921986 AVAPFPXOJCXJHN-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB CCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 9096577 HJSPTTZFEPBIHM-QYBDOPJKSA-N 431.580 5.117 0 40 IKAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)Cc2cccc3ccccc23)cc1 9288848 UQPIMDGGTNVKCV-UHFFFAOYSA-N 433.515 5.297 0 40 IKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F 9310882 QEBKCVBREMOWDK-WQRHYEAKSA-N 428.872 5.316 0 40 IKAB Cc1ccccc1CSc1cn(CCNC(=O)c2ccc(Cl)cc2)c2ccccc12 9391896 KGSGLXYOTQVFKW-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB COc1ccc(Cc2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 9512790 WYTZMAVVNLUTAI-QFIPXVFZSA-N 449.507 5.280 0 40 IKAB CC1(C)N=C(SCC(=O)Nc2cc(Cl)cc(Cl)c2)C(c2ccc(Cl)cc2)=N1 9599187 LDXNAUITEIUIEC-UHFFFAOYSA-N 440.783 5.956 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4nc5ccccc5s4)cc3)c2O1 9659770 CKGYBUTUFUTQEL-UHFFFAOYSA-N 430.529 5.841 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 9669579 WAAKCHNQRXOLGK-VXKWHMMOSA-N 431.561 5.314 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1Cl 9708842 GSYRPVFDRJMZHD-UHFFFAOYSA-N 438.963 5.281 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nc2ccccc2c(=O)[nH]1 10212815 GACPTEMBUNMLQZ-OAHLLOKOSA-N 443.507 5.163 0 40 IKAB COc1cccc(-c2nc(COC(=O)c3cc4ccc(F)cc4nc3C)cs2)c1OC 10923407 KMUIGZLFBMDNSM-UHFFFAOYSA-N 438.480 5.180 0 40 IKAB O=c1cc(-c2cc3cc(Br)ccc3o2)c2cc(O)c(-c3ccccc3)cc2o1 11869905 SXSQMVJMCBALAW-UHFFFAOYSA-N 433.257 6.341 0 40 IKAB biogenic Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1C 12415834 IFCOOUOQUUMIJK-UHFFFAOYSA-N 436.899 5.166 0 40 IKAB Cc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(C)c(C)c3)cc2)cc1C 12462257 WTWCCVPCDVISSJ-UHFFFAOYSA-N 428.576 6.290 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccccc2C(F)(F)F)cc1 14155129 ICBRBQISQSNNHH-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1cc(C)c2[nH]c(CSc3nnc(COc4ccc(C(C)C)cc4)n3C)cc(=O)c2c1 15865334 CCTBGMDWVWRZNF-UHFFFAOYSA-N 448.592 5.268 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1F 16766635 LAOMUWKHSDXRLV-LLVKDONJSA-N 439.990 5.884 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17096368 RBXZEGRSISTJDY-HNNXBMFYSA-N 429.347 6.885 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 19641042 MXZMADVSZUOCBU-MRXNPFEDSA-N 444.531 6.586 0 40 IKAB Cc1nc([C@]2(O)CCCN(Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 19705451 SFGSWXKYYIXOGA-VWLOTQADSA-N 440.584 5.086 0 40 IKAB N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 19706671 CFCAWNLIUUIUBK-OAQYLSRUSA-N 446.765 5.664 0 40 IKAB Clc1ccc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 19929105 YTGJCZGSVCVNCS-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20029996 JASHCNHHQQRWAX-UHFFFAOYSA-N 433.757 5.187 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(C)c(C)c4)ccc32)cc1 20766003 KKUWUWDACKSPDY-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)c(C)c1 25396588 KNUALQOQDZPJFW-UHFFFAOYSA-N 428.627 5.076 0 40 IKAB CC[C@@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccc(F)cc1)c1ccccc1 28047892 PBLSIJJOZGSUSR-YKSBVNFPSA-N 436.914 5.543 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1Cl 32115435 CURFTZJGJLZUOK-UHFFFAOYSA-N 433.241 6.641 0 40 IKAB Cc1nc(C)c(-c2nnc(S[C@@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)s1 32905928 HGYLZFJAVKWDMM-QMMMGPOBSA-N 429.354 5.236 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)cnc2c1-c1ccc(Cl)cc1 38829779 MVMURJOFWLKUAD-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834465 XFBXTOXHJPQRLW-KRWDZBQOSA-N 435.351 5.021 0 40 IKAB CN(Cc1csc2ccccc12)C(=O)Nc1cc2c(cc1Br)OCCO2 58533189 MOOWQYCBGLNHPO-UHFFFAOYSA-N 433.327 5.099 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4cccc(F)c4)no3)c3ccccc3c2=O)cc1 67245210 CVDJXQVVGMMJKD-UHFFFAOYSA-N 427.435 5.246 0 40 IKAB COc1ccccc1-n1nnc(-c2nc(-c3ccc(Br)cc3)cs2)c1C 67341646 WVVQWWBKMBJLHT-UHFFFAOYSA-N 427.327 5.137 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)NC[C@H](c2ccco2)N2CCCCC2)cs1 70019603 HKXWVYDPBHOGIP-HXUWFJFHSA-N 441.622 5.294 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)CC1 72345039 JJJTXVCBBXRJPC-UHFFFAOYSA-N 427.592 5.100 0 40 IKAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCCc2ccccc2)sc2ccccc12 72370818 PVTAXQJWGWHVKN-NRFANRHFSA-N 434.605 5.207 0 40 IKAB COc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 72398612 NPLWUADKUOXYNA-GJZUVCINSA-N 449.639 5.085 0 40 IKAB Cc1c(Br)c(N)c(Br)c2nc(-c3cccc4ccccc34)oc12 73639368 AKYFXDRJRWNLGL-UHFFFAOYSA-N 432.115 6.064 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 223398056 FWKPAVSEICHQKE-PKTZIBPZSA-N 445.979 5.093 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 223703535 MMLJYLBWWKSPJP-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 224145057 FWWUXFFBLDLDJL-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1 224199269 NBDQVKZVHZPBJO-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1N(C)S(=O)(=O)c1ccccc1 224296248 SKIYRDQTJCCWRD-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(OC)cc1 224597779 JNXXRLYTWOGSRB-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1CSc1ccc(Cl)cc1 224670347 MNPHLBMXMHFEEM-UHFFFAOYSA-N 430.013 6.651 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3C)o2)c(OC)c1 224932773 YKCIRQUHNUVOLX-UHFFFAOYSA-N 448.906 6.240 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225037160 ONEUXDHGQWPPAM-PMACEKPBSA-N 445.003 5.139 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 225353112 SGSGAATZZKZHKP-DEOSSOPVSA-N 438.637 5.078 0 40 IKAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1cccc(Br)c1 225367260 OBGAIYKJHYWTAF-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906821 VNJSVLSQPGCZHH-HXUWFJFHSA-N 427.375 5.675 0 40 IKAB O=C(N1CCc2ccccc2[C@@H]1c1ccccc1)N1CCc2ccccc2[C@H]1c1ccccc1 238850618 CAQGZNDDACGLPT-RNPORBBMSA-N 444.578 6.402 0 40 IKAB in-vitro COC(=O)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)o1 408552794 NXXNMVUOKMQANJ-UHFFFAOYSA-N 428.819 5.488 0 40 IKAB COc1ccc(/C=C(/C(=O)N2CCN(c3cccc(C)c3C)CC2)c2ccccc2)cc1 408574607 AABMKMHPJWRDFN-LHLOQNFPSA-N 426.560 5.201 0 40 IKAB CCCc1nc(S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)O)n[nH]1 408631443 JDTGTAREBGACIS-JCMHNJIXSA-N 445.544 5.707 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)ccc1O 408804946 HOAAUDLRFNXQAL-ULWLBBBNSA-N 437.585 5.845 0 40 IKAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl 409163911 ZLGXJHKPPDGEFK-CQSZACIVSA-N 448.951 5.270 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 867061 JAWYITGVFTYRFB-CABCVRRESA-N 438.837 5.028 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(C)ccc(C)c4cc3c2N)c(Br)c1 877013 JPRDIIIZCLGLPJ-UHFFFAOYSA-N 440.366 5.972 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NCc1ccc(F)cc1 1367663 DDLHBXOFKGGYKX-UHFFFAOYSA-N 437.927 5.498 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccccc3)n2)c1 1389675 QITADYWDSARWAF-UHFFFAOYSA-N 433.895 5.462 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3ccc(Cl)cc3)sc2c1)c1ccc(Cl)cc1 1510038 KTUHWAVQAWRCDK-UHFFFAOYSA-N 442.327 6.108 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1 1723148 GPZZPNBJJQLWBF-SANMLTNESA-N 428.553 5.446 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1 1911828 DWRJLKQECBYZAI-UHFFFAOYSA-N 429.925 5.571 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)cc1 2714538 RGVWWMALJNRWDE-UHFFFAOYSA-N 447.380 6.595 0 40 IKAB COc1cccc(/C=C(/C(=O)O[C@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)c1 3268813 QYAQNWZEYZVATA-WZGTUUFSSA-N 443.499 5.009 0 40 IKAB CCOC(=O)COc1ccc([C@H](CC)[C@@H](CC)c2ccc(OCC(=O)OCC)cc2)cc1 4769049 SBZLDGZXZCEWMB-ZEQRLZLVSA-N 442.552 5.258 0 40 IKAB Cc1cc(C)cc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752563 CGEAMNGKIYTCQN-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB aggregator Cc1cc(C)c2nc3s/c(=C\c4cccc(OCc5ccc(Cl)cc5)c4)c(=O)n3c2c1 8425987 DDWZAYUUGHAKEO-XKZIYDEJSA-N 446.959 5.306 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9041994 JXASTVOPELZWBD-AHWVRZQESA-N 430.504 5.345 0 40 IKAB CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCc4cc(C)on4)nnc23)cc1 9127234 FXKZVXXSDPTZCC-HNNXBMFYSA-N 445.548 5.136 0 40 IKAB C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N1c2ccccc2C[C@H]1C 9154043 OEGNIJUXSMFDNP-CHWSQXEVSA-N 448.038 5.775 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)c1ccc(Cl)cc1 9308954 BFCSWROSHDPCTC-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB Cc1cccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)c1 9391733 GERMBKNZQRIGGD-UHFFFAOYSA-N 430.529 5.458 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 9427597 MECFCVMJOALCGM-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB Cc1nc(-c2ccc(NC(=O)[C@@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)cs1 9498252 CTURXWMMLGLVOV-HXUWFJFHSA-N 447.585 5.160 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Br)cc1C(=O)O 9553639 OFAYBTRFCKHWAR-UHFFFAOYSA-N 432.314 5.213 0 40 IKAB COc1cccc(-c2nnc(SCc3ccc(O)c4ncccc34)n2-c2ccccc2)c1 9614311 NYKOGGWBULEWFF-UHFFFAOYSA-N 440.528 5.489 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)no1 9640192 KBPGEGVGMHFSAL-UHFFFAOYSA-N 430.529 6.107 0 40 IKAB CN(Cc1cc(=O)n2c(-c3ccccc3)csc2n1)C(c1ccccc1)c1ccccc1 9767502 ZDPRFADOAUAJJP-UHFFFAOYSA-N 437.568 5.644 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 9867415 RAKHIKHIRZWRKG-JKSUJKDBSA-N 443.576 5.220 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3C)[C@H]2c2ccccc2)cc1 9868172 BZZLGSZBCLIJMW-WIOPSUGQSA-N 432.495 5.266 0 40 IKAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 9882381 ZNEKCORBTRCRTJ-DEOSSOPVSA-N 443.572 5.194 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 10112680 HJPRJJRXPYGHMR-UHFFFAOYSA-N 446.981 5.392 0 40 IKAB CCN(C(=O)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)c1cccc2ccccc12 12498627 RVXMCAPYAGEMHV-NCELDCMTSA-N 443.493 7.035 0 40 IKAB COc1ccc(C(=O)N2CCC(CCc3ccc(C)cc3)CC2)cc1OCc1ccccn1 12523274 NKWFBFYEZLQUCM-UHFFFAOYSA-N 444.575 5.463 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccccc1C(F)(F)F 12567337 PHYKVEXNNXMYSE-UHFFFAOYSA-N 429.419 5.692 0 40 IKAB CCN(CC)c1ccc(-c2nn(CN3CCc4sccc4C3)c(=S)n2CC)cc1 12590799 MHUPKJCKRAGJOB-UHFFFAOYSA-N 427.643 5.024 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(C)ccc1OC 12621175 BOIAFZSSQVRKBA-UHFFFAOYSA-N 442.512 5.099 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCN1CCCCC1 12659316 KJCYWBYEGKONIB-NULLENPVSA-N 448.692 5.022 0 40 IKAB biogenic O=C(Nc1ncc(Cc2ccc(F)cc2)s1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12794873 SJEFASOCVLOJKD-MQVJKMGUSA-N 434.627 5.424 0 40 IKAB FC(F)(F)c1cccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)c1 12956735 AKVIBDCRVYWNDO-UHFFFAOYSA-N 445.790 6.942 0 40 IKAB CCOc1ccc(Oc2ccc(NC(=O)Cc3cc(OC)c(OC)c(OC)c3)cc2)cc1 13074805 ZQTXQRRYGQDZLO-UHFFFAOYSA-N 437.492 5.085 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 13584347 USRCHPQBGWNFGB-MHZLTWQESA-N 437.587 6.099 0 40 IKAB O=C(CCSCc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13688085 WHHPMGKKHXDILI-UHFFFAOYSA-N 430.617 5.244 0 40 IKAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl 14071397 DFQDXXKZWHZLQC-GFCCVEGCSA-N 433.364 5.571 0 40 IKAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 14360605 NRWXKNFNGGMSRJ-IAGOWNOFSA-N 431.985 5.294 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Cl)cc(OC)c3OC=C2)cc1 15838721 FJIILBYSWYAPNC-UHFFFAOYSA-N 427.884 5.234 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1ccccc1OCc1ccccc1Cl 15940767 XAKSZJOYEUDHOK-UHFFFAOYSA-N 434.967 5.313 0 40 IKAB FC(F)(F)c1cc(SCc2cc3c(cc2Cl)OCO3)nc2cc3c(cc12)OCO3 16383138 KWEZUWGMDVECDU-UHFFFAOYSA-N 441.814 5.657 0 40 IKAB Cc1ccc(Nc2nc(N)nc(CSc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 16684668 HXSPIIUHGQSMEY-UHFFFAOYSA-N 425.867 5.470 0 40 IKAB CCCCc1ccc(-n2nc3ccc(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 17096968 SOTHKXXTMKENEH-UHFFFAOYSA-N 430.508 5.033 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 17100648 GCEGBNUJMFNNRI-KRWDZBQOSA-N 436.577 5.169 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 19636626 DOWCEIOLLCYUFZ-SFHVURJKSA-N 442.559 6.951 0 40 IKAB CCN(CCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 19691137 BFEBTPXEHKHEIP-UHFFFAOYSA-N 426.520 5.669 0 40 IKAB COc1ccc(OC)c(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691457 IIPNRVOWSPFPIY-XMMPIXPASA-N 434.511 5.120 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OC 20633480 VPCFFWFWBASHCN-HSZRJFAPSA-N 435.524 5.076 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(Cl)c2)cc1 20970269 WYHMNIQHHCQBGF-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)COC(=O)c2cccnc2SC(F)F)c1 23080024 CFLFFWGLGXHGHD-UHFFFAOYSA-N 442.487 5.095 0 40 IKAB CCc1cccc2c(/C=C3/C(=O)N(C)C(=S)N3C)cn(Cc3c(F)cccc3Cl)c12 39556477 WGEOLLDQFHPEKQ-JAIQZWGSSA-N 441.959 5.074 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccccc2Cl)CC1 39747478 XRRJXQYQVWKGFY-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB Cc1ccnc(NC(=O)C2CCN(c3nc(C)nc4scc(-c5cccs5)c34)CC2)c1 40149383 FWNHNVJSRWUJCA-UHFFFAOYSA-N 449.605 5.287 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(F)cc2)cc1 44087087 IFHGZBSWAUANJC-UHFFFAOYSA-N 431.536 6.026 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C 44856675 YOQXJGRMEPEVPE-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB CCc1ccc(Nc2cc(C(=O)N3CCC[C@H](C)C3)nc3cc(OC)c(OC)cc23)cc1 48989350 RYEXVMAGTWSDHZ-KRWDZBQOSA-N 433.552 5.430 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4CC)nccn3n2)cc1 67290337 AQXPQNBQYLVIQP-UHFFFAOYSA-N 432.549 5.088 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](c2ccccc2)c2cccs2)cs1 69442419 WBOAPOOKBBZRDH-HSZRJFAPSA-N 434.586 5.719 0 40 IKAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccc(Br)cc4)cc3s2)n1 72229761 GJXKSAYNSJWMHS-UHFFFAOYSA-N 427.327 5.114 0 40 IKAB Cc1cc(Cc2cccc(F)c2)cc([C@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)n1 72354169 GAVSUGVLGZGBLY-NRFANRHFSA-N 435.543 5.560 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 100739120 LWBPNWDVIMCMMI-NNWRFLSQSA-N 436.600 5.011 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(CC)cc23)cc1 100893869 MQZDZMYTJLWOFR-UHFFFAOYSA-N 446.572 6.081 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107043038 CDYNRTBPYMZKIO-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB COC(=O)CC[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[C@H](O)[C@@]21C 118915356 FVYCOKNQUSFTBH-MXJMPISZSA-N 448.644 5.137 0 40 IKAB Cc1cc(C)c(-c2cccc(-c3c(C)cc(C)cc3C)c2I)c(C)c1 150091349 RKSKTQRJUVVQHG-UHFFFAOYSA-N 440.368 7.476 0 40 IKAB COc1ccc(CCC(=O)N(Cc2ccccc2)c2ccncc2)cc1Br 195662939 SJNGICFVEFHVEL-UHFFFAOYSA-N 425.326 5.019 0 40 IKAB C[Si](C)(C)c1cc2nc(C(F)(F)F)c([Si](C)(C)C)c(Br)c2cc1F 219791614 NJCCTTXEJHMRSO-UHFFFAOYSA-N 438.411 5.246 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 222460091 UQDZYKJKXBQAAL-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 222550212 WNUYPQWRYSGRJV-XMMPIXPASA-N 436.577 5.010 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222607429 NCJQPPPUVARMDG-URXFXBBRSA-N 440.653 5.075 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 223054687 DJKRPYQDMTWURO-IBGZPJMESA-N 436.577 5.158 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C 223272240 ZUYRKOSBCIDKDC-HNNXBMFYSA-N 440.436 6.544 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 224177202 HZZMXMZRGUHRFY-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 224213336 WLODOEKZFOBSRJ-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)c1 224228618 AVOZKMJPEXQYRM-LOSJGSFVSA-N 442.588 5.627 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 224238799 MEJCONVIBKHOLB-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224347576 WNHJNZQUXJTKRD-RPBOFIJWSA-N 443.547 6.220 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 224526494 YQMBEDKURQBYRP-UHFFFAOYSA-N 442.968 5.691 0 40 IKAB O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224566145 LEISELMEXXJZKX-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 224596500 FMEKUBDBIMPUGY-DHIUTWEWSA-N 446.963 5.408 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 224607805 FGBMPTANUYTTGH-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3C)c2)cc1 224611486 JDIBDLFPFCOCDY-UHFFFAOYSA-N 433.548 6.241 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccc(C)cc1 224663262 JDKDNRTUIARBRC-UHFFFAOYSA-N 429.944 6.731 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225014902 KYFJJUFLJMAPNJ-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 225079258 NOAXYTKOBLAUAP-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225131537 CQLBFQUKPDEDRF-XMMPIXPASA-N 441.015 5.529 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266510 IYHFGIMJWYJXLN-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225516026 ROFOMQADZNKNLA-BWKNWUBXSA-N 438.612 5.219 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1cc(Br)ccc1OCc1ccccc1 408586760 PIYJJTJTNNUYPG-UHFFFAOYSA-N 432.317 6.434 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2cccc3ccccc23)C(=O)O)n[nH]1 408631474 JKUHHVYCUCRINQ-ODLFYWEKSA-N 437.908 5.505 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)cc1 408694044 HPIPAFCVWPQBAN-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)c1 408698159 LPFANPIMDJCVAQ-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc(Cl)cc1 408812980 CWPGRQMRUXKWLL-YVLHZVERSA-N 438.332 5.637 0 40 IKAB O=C1S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1c1ccccc1 408901574 GNYLGFOVECBDCC-YRNVUSSQSA-N 429.089 5.046 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980060 UEWUYVRUTHTQEO-UHFFFAOYSA-N 447.420 5.891 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 409028934 USYZAHUPVDSAOL-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB COC(=O)C(=Cc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1)C(=O)OC 409050314 UIZCBKPHXGBXRZ-UHFFFAOYSA-N 445.298 5.455 0 40 IKAB Cc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409096735 LWWYNOUMBKPFJZ-UHFFFAOYSA-N 434.008 6.929 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(F)cc1 409153801 MYYFSVLFEXUYPV-UHFFFAOYSA-N 442.560 5.179 0 40 IKAB Cc1ccc(S[C@@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 409219547 NRGXAYYCBBWZKI-NRFANRHFSA-N 437.413 6.609 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1 409255097 XVPQLRJCBQACAO-HYARGMPZSA-N 432.907 5.320 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 409375206 HEDDTUBDDLAFHQ-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COC(=O)c1c(C)oc2ccc(OCc3ccc(-c4cnc(-c5ccccc5)o4)cc3)cc12 639008 JVYUELZOVKAFEF-UHFFFAOYSA-N 439.467 6.429 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(Br)ccc1Br 642775 XRFREEDHOYYOGT-UHFFFAOYSA-N 447.126 6.256 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccc(OC)cc3)nc(-c3ccccc3)nc12 648339 OFMBWHUKMPFDKZ-UHFFFAOYSA-N 429.545 5.599 0 40 IKAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 842766 MKBPZRQBGGTNQS-WQRHYEAKSA-N 439.920 5.642 0 40 IKAB Nc1ccccc1SCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 929790 UDIIQFIDBISEFK-UHFFFAOYSA-N 432.492 6.209 0 40 IKAB Cc1ccc(C)c(Oc2coc3cc(OCC(=O)OCc4ccccc4)ccc3c2=O)c1 948971 CSQGUHUCENEKHQ-UHFFFAOYSA-N 430.456 5.324 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cccs1 1333534 IPIAXDZHOLPHTH-JOCHJYFZSA-N 438.618 5.642 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1371294 MHZDYOCHCXVCJR-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)c(C)c1 1851680 OBFQNJWGAIOPFI-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB COc1ccc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc1OCc1ccccc1 2059398 IYMOQMRDDBZOGV-JLPGSUDCSA-N 435.479 5.772 0 40 IKAB CCC[C@H](Sc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O 2189411 PEEFSAUDUBUYEP-SFHVURJKSA-N 442.606 6.192 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccccc1 2259098 AHTDKLKASMYTBD-UHFFFAOYSA-N 427.616 6.429 0 40 IKAB CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccccc1C 2287360 XTDHKMTXZNCJRN-UHFFFAOYSA-N 441.483 5.594 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3cc(C)ccc3C)cc12 2316741 OGCHBCYDIPGZHW-UHFFFAOYSA-N 430.500 6.481 0 40 IKAB biogenic CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 2409297 WMYYKGALEMGHNQ-UHFFFAOYSA-N 438.578 5.502 0 40 IKAB COc1cccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 2714987 MNMLXIFFIWDFJQ-UHFFFAOYSA-N 426.907 6.493 0 40 IKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 2741639 PFNBLWWDZRTYFY-UHFFFAOYSA-N 436.433 6.490 0 40 IKAB Clc1ccc(CNc2nc(SCc3ccc(Cl)cc3)nc3ccccc23)cc1 2933046 VMKKCQFZCNQHLB-UHFFFAOYSA-N 426.372 6.841 0 40 IKAB O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 3047463 RKAGMTCWUWLZNB-UHFFFAOYSA-N 439.367 6.965 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)CC(c1ccccc1)c1ccccc1 3217161 AOZCJVQDJSHLFD-UHFFFAOYSA-N 445.559 5.697 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1ccc2c(c1)OCO2 3252973 WCJPFLXMXKSFHQ-HXUWFJFHSA-N 444.270 5.259 0 40 IKAB Cc1ccc(OCCNC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1 3294658 ACLALDFZAIVPSA-UHFFFAOYSA-N 425.941 5.166 0 40 IKAB CN(Cc1c(F)cccc1Cl)C(=O)c1cc(Br)c(Br)s1 3343600 WIYDTSXOYSMACW-UHFFFAOYSA-N 441.547 5.338 0 40 IKAB C[C@@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4831517 XCDQFROEGGNAER-NXIGECGISA-N 428.745 8.249 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 8273636 UORLEOXMEWVFPS-UHFFFAOYSA-N 425.532 5.459 0 40 IKAB O=C1CS[C@@]2(SC(/C=C/c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 8438004 AXFALCCTGMJPEO-GQRCBVMOSA-N 429.570 5.658 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 8442262 DKXAFVUPTBRPIK-KGKZSPKZSA-N 434.583 7.694 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)Cc1ccsc1)c1ccccc1 8687013 MESLEGRAQKZXDF-RUZDIDTESA-N 432.589 5.514 0 40 IKAB CCCOc1cccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 8845245 WUVXXHIYKIOUAS-VWLOTQADSA-N 443.503 5.218 0 40 IKAB FC(F)(F)Oc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 8914116 DJPZZLSBAQBSKK-UHFFFAOYSA-N 440.812 6.188 0 40 IKAB Cc1c(OC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 9034074 QJSDVBGJQPVGGA-FQEVSTJZSA-N 449.503 5.073 0 40 IKAB biogenic COc1cccc2cc(C(=O)N(C[C@H]3CCCO3)c3nc4c(F)cc(F)cc4s3)oc12 9133765 HABVDJHACGUWSL-CQSZACIVSA-N 444.459 5.155 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)nc2c1 9226637 PCASTAZZZPDFJY-UHFFFAOYSA-N 428.576 7.163 0 40 IKAB Cc1nn2c(SCc3cccc4ccccc34)cc(C(C)(C)C)nc2c1-c1ccccc1 9291829 QTJCCHGRDRCWOF-UHFFFAOYSA-N 437.612 7.448 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccc(F)cc1 9328061 JAFVBKKHTSJQED-UHFFFAOYSA-N 425.484 6.473 0 40 IKAB COCCCN(Cc1ccccn1)C(=O)[C@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9422290 DFLTWCZRQSXLDW-QGZVFWFLSA-N 435.955 5.538 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 9602489 OKWMZSVBTUWEDD-LLVKDONJSA-N 436.965 5.177 0 40 IKAB Clc1ccccc1-c1noc(CSc2nnc(Cc3cccs3)n2C2CC2)n1 9730200 JZGQJSMLQDVJSA-UHFFFAOYSA-N 429.958 5.261 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)cc1 9950232 UPXVEJJJODSONG-HXUWFJFHSA-N 447.560 5.132 0 40 IKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1CC 9987324 CSBIDQSQXKTDSB-UHFFFAOYSA-N 436.383 5.153 0 40 IKAB Fc1ccccc1-n1cnnc1SCc1csc(COc2ccc(Cl)cc2)n1 10193608 RQSZAAUFQKOHSL-UHFFFAOYSA-N 432.933 5.388 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)cccc2c1=O 10677272 YTEUOSGJVBYHHD-UHFFFAOYSA-N 449.510 5.226 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1OCCOc1ccccc1 12137681 ASZLRCOBCDOFTM-UHFFFAOYSA-N 444.531 5.023 0 40 IKAB CC(C)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 12530314 KABLHKWKOHULLL-CXUHLZMHSA-N 445.360 6.442 0 40 IKAB Cc1ccc(NC(=O)c2cc3c(s2)CCC3)cc1S(=O)(=O)Nc1ccccc1Cl 12584676 BNMDUGOEDUUMPW-UHFFFAOYSA-N 446.981 5.252 0 40 IKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)C1(c2ccc(Cl)cc2)CCC1 12786035 JLZUVAXZNNMNPJ-UHFFFAOYSA-N 434.971 5.694 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)c2cc1C 12861412 MJKJNFOQQAYZDR-UHFFFAOYSA-N 432.476 5.036 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13017645 YTSXZSYDLRCNJM-ZCUZSRHZSA-N 446.506 5.959 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)OC(=O)c3ccccc3OC(F)F)n2)cc1 13063009 BGLDIOSMDUEJSB-ZDUSSCGKSA-N 446.475 5.158 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 13114692 VJNYCXHFMAVLHW-LJQANCHMSA-N 442.588 5.675 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 13775033 XYUDXRXUPNUPII-YKSBVNFPSA-N 444.015 6.471 0 40 IKAB CCOc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1OC 14803627 VBLJWFJXJUCPOS-UHFFFAOYSA-N 442.537 6.304 0 40 IKAB Fc1ccccc1COc1nc2ccccc2nc1/C=C/c1ccc(Cl)cc1Cl 14944052 AYPJWJLDINPTMW-ZRDIBKRKSA-N 425.290 6.825 0 40 IKAB O=C(CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1)c1ccccc1 15303516 GBYSPTOGECLVLF-UHFFFAOYSA-N 434.952 5.508 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1C[n+]1c2n(c3ccc(C(F)(F)F)cc31)CCCCC2 15953013 LRIGNUODMUQSFM-UHFFFAOYSA-N 429.550 6.637 0 40 IKAB CC(=O)N[C@H](C)c1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 16221993 YOAPPQRDYMDGBY-CYBMUJFWSA-N 431.319 5.309 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2ccc(NC(C)=O)cc2s1 16321407 MUPGYOUGGCYNEX-ZZXKWVIFSA-N 436.320 5.222 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1Br 17101672 WHMXZDMOSPUBKZ-UHFFFAOYSA-N 437.668 5.248 0 40 IKAB Oc1nc(CSc2ncc(C(F)(F)F)cc2Cl)nc2cc(C(F)(F)F)ccc12 18089922 ZZUCFJIDWCFHAD-UHFFFAOYSA-N 439.768 5.714 0 40 IKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 19347726 GBGZDJCJJQDXQX-CQOQZXRMSA-N 438.543 5.157 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)nc2c1 19636619 VCBSVPSVLHFXIC-IBGZPJMESA-N 442.559 7.149 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccccc1F 19764694 AAMQPUWSIVFYHT-QFIPXVFZSA-N 438.547 5.200 0 40 IKAB CCCCc1ccc(NC(=O)CN2c3ccc(C)cc3-c3ccccc3S2(=O)=O)cc1 20063290 RUJFRKFOAHUCBO-UHFFFAOYSA-N 434.561 5.152 0 40 IKAB O=C(O)c1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)cc1Cl 20152046 RTPVDFJYTCLQGH-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB O=S(=O)(Nc1ccccc1)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 20523406 KSQFIVKQFLZPLG-UHFFFAOYSA-N 433.558 5.450 0 40 IKAB COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1F 22073635 IIIFCHAXTCOLPI-UHFFFAOYSA-N 430.317 5.466 0 40 IKAB O=C(CNc1cc(Cl)ccc1N1CCOCC1)Nc1ccccc1Oc1ccccc1 24843385 GKBNJOGBFHWLFX-UHFFFAOYSA-N 437.927 5.020 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2ccccc2)n(-c2nc3ccccc3s2)n1 25186154 KEIAAMYZIDAWDK-UHFFFAOYSA-N 444.947 5.732 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccoc3C)o2)cs1 26129148 AMYBMDUJCSBIPF-UHFFFAOYSA-N 440.550 5.634 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccc(Cl)cc4)ncnc3[C@H]2C2=C1CCC2 26464345 VXPUVNNOJLOVOH-KNQAVFIVSA-N 442.053 7.063 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)n1 27767748 MBJQVJVCOBDOGU-GFCCVEGCSA-N 444.919 5.538 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)no1 32905851 UIEUADIKSKVLQI-KRWDZBQOSA-N 429.545 5.828 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 34849416 KIEXLVXAUSOLKF-UHFFFAOYSA-N 431.989 5.102 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Oc1ccccc1Cl 41076864 AMVKTQCWRJYTCY-UHFFFAOYSA-N 426.900 5.575 0 40 IKAB COc1ccccc1Nc1nc2sc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)cc2s1 48265422 GECHHSXFNBCLRF-LLVKDONJSA-N 441.500 5.525 0 40 IKAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccc(SC(F)(F)F)cc2)c1C 60098410 SJJCVOYQOPWZCH-UHFFFAOYSA-N 432.489 5.011 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)cc1 67259255 HHCXJPBBDGNCLL-UHFFFAOYSA-N 432.564 6.174 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 72370039 VPFWOTDGJUMXME-VWLOTQADSA-N 431.511 5.522 0 40 IKAB Cc1nc2ccc(OCc3ccccc3)cc2c(O)c1CN1C[C@]2(C)C[C@@H]1CC(C)(C)C2 101089658 BYQJGFLOOFXNPR-RBTNQOKQSA-N 430.592 6.228 0 40 IKAB Brc1cccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1 101100878 AHJHKWHWTVKNOK-NRFANRHFSA-N 430.309 5.159 0 40 IKAB CCCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118928214 BBQNHGBERIULCP-ZQQQCJPQSA-N 428.745 8.823 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 222889346 NKFDCTZRJPUQMU-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223031697 BVYZDCDNPSTRFH-OALUTQOASA-N 447.044 5.463 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 223116482 VBVZQEZPCHDWGP-WOJBJXKFSA-N 440.603 5.388 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223220203 FHDRKHVFDNGUSM-AREMUKBSSA-N 444.619 5.803 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 223330582 GTOXHRJUZWPTDF-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223745006 AQEUSHPCXSCHFX-DEOSSOPVSA-N 438.612 5.221 0 40 IKAB Cc1ccccc1Nc1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 223917471 ZHWPAKZDMDKNJY-UHFFFAOYSA-N 448.979 6.534 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 224021873 AJCTYRGVMHHPHT-MRXNPFEDSA-N 441.980 6.141 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 224196157 ZMPQAWSFEOBTEX-RPBOFIJWSA-N 442.588 5.627 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cc(C)ccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224453999 JEOHIFYEFBVSLT-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1CSc1ccccc1 224652075 PRAMDVMTHAYPGM-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(OCc2ccccc2Cl)cc1 224676247 BNKNYTPHKSLZQY-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 224900688 FQOJMYMQYCJISC-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccccc1 225013615 XPFKQPOUHHWCAT-RPBOFIJWSA-N 430.621 5.463 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225386645 YXQRMVPWNVCWQH-SANMLTNESA-N 446.591 5.115 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225423208 SUKNKTWMWQWSOU-UHFFFAOYSA-N 430.548 6.196 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225577588 DHARIPJCEQZYFC-XUZZJYLKSA-N 438.612 5.021 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225615824 WWZWIXVLJVGFMS-JOCHJYFZSA-N 432.649 5.603 0 40 IKAB S=C(NCc1ccc(Cl)cc1)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225933558 GXTRVDPVTUKGMR-UHFFFAOYSA-N 439.972 5.009 0 40 IKAB Cc1ccc2c(C)c([C@H]3OCC4(CCN(C(=O)OC(C)C)CC4)C[C@@H]3C(C)C)oc2c1 257209108 BPABARYRRPKQQJ-QPPBQGQZSA-N 427.585 6.410 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cnc(-c3ccc(C)cc3)nc2)C1 257280119 OJNFSJCVKPWCTD-FQEVSTJZSA-N 442.588 5.016 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)NC(C)C)CC1 257299131 ROVPLXHDTJVJOJ-UHFFFAOYSA-N 426.626 5.137 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC1)CCCC2 257301215 RXLGQSXPETWJDJ-UHFFFAOYSA-N 448.994 6.126 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 408564193 SMWXZMZEPJUPKU-UHFFFAOYSA-N 433.573 6.497 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)c1 408578592 ABAIJYKJIKXYOD-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)cc1C 408642067 NPEYABCQJVMMRQ-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(Cl)ccc2C)cc1 408695875 UMCSZWOKVVWIAY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc(-c3ccccc3)cc2)c1 408725938 QXPJVRVKQLSMJM-UHFFFAOYSA-N 435.571 6.577 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409180254 XJPBWICJWFIDKR-UHFFFAOYSA-N 432.259 5.170 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O 409357588 JHVSFFCCXIJHTI-JMIUGGIZSA-N 428.916 5.928 0 40 IKAB CCCc1nc(COc2ccc(C)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265549 SNATXGXMAUFNSJ-UHFFFAOYSA-N 440.337 6.049 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 1083103388 RGMOWKMCHFVBQH-SGLNWRHMSA-N 435.490 5.012 0 40 IKAB O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 2037724438 HNEJOMQOHFQITB-QHCPKHFHSA-N 448.473 5.301 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238390 OSYGNEOCCSKLON-KAZDWLQDSA-N 438.652 6.325 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 673863 QGXLRPBMOJPXQK-AAEUAGOBSA-N 432.899 5.321 0 40 IKAB COc1ccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)cc1 756732 OFBYJGQNPQSEOS-UHFFFAOYSA-N 443.894 6.013 0 40 IKAB S=c1oc(-c2ccc(Cl)cc2Cl)nn1CNc1ccc(Br)cc1 1058261 PIOLCAGKFNPYCI-UHFFFAOYSA-N 431.142 6.011 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2cccs2)N2CCOCC2)cc1 1236181 LPRZUPVYUTVFNV-OAQYLSRUSA-N 442.606 5.109 0 40 IKAB CCCN1C(=O)c2ccccc2N(C(=O)Nc2ccccc2)[C@@H]1c1cccc(OC)c1OC 1293527 CTEXEUHERDPVHI-XMMPIXPASA-N 445.519 5.307 0 40 IKAB biogenic COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)c2ccc(F)cc2)cc1 1366410 VZPIDIKAUZOVSN-UHFFFAOYSA-N 444.506 5.135 0 40 IKAB Cn1c(SCc2ccccc2CSc2nc3ccccc3n2C)nc2ccccc21 1426219 SXVNRDSWYBAENC-UHFFFAOYSA-N 430.602 6.045 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 1773520 WPMSJTKHNIBCAH-OAHLLOKOSA-N 428.598 5.067 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 2663062 TYTUOELOMRTHFZ-UHFFFAOYSA-N 435.983 5.250 0 40 IKAB CC(C)(C)c1ccc(NP2(=O)C=C(c3ccccc3)SC(c3ccccc3)=C2)cc1 3188129 DFKYMNXCSFCRCD-UHFFFAOYSA-N 431.541 8.418 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N3CCCCCC3)nc2-c2ccc(C)cc2)cc1 3277579 QSAGBRHEIUKFGF-UHFFFAOYSA-N 432.593 5.317 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 3406827 ALQPXSZYCXOQDX-UHFFFAOYSA-N 446.528 5.292 0 40 IKAB CCCCNC(=O)Nc1c(C)cccc1OCCCn1cnc(-c2ccccc2)c1CC 3788046 NQZTZGNLFLQHKG-UHFFFAOYSA-N 434.584 5.812 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CC[C@H](C)C2 8445623 YDAXBNUJGDQMFF-WMZOPIPTSA-N 432.589 5.925 0 40 IKAB Cc1ccc(C)c(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 8453327 PSJUMYYWCXSGNN-LBPRGKRZSA-N 428.120 5.201 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1ccccc1Cl 8926556 QAJLDJXODNTMGX-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB CCc1ccc(NC(=S)NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 9064806 XMCADTXNOTXYMF-UHFFFAOYSA-N 443.366 5.300 0 40 IKAB COc1ccc(C2=Nc3ccccc3N[C@](C)(c3ccc(OC)c(OC)c3)C2)cc1OC 9097309 XTDLESGUKNUCHG-SANMLTNESA-N 432.520 5.573 0 40 IKAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@@H](c2cccc(Cl)c2)N(Cc2cccnc2)C3=O)c1 9124718 LCRPGYWIIZSDOE-HSZRJFAPSA-N 444.922 5.193 0 40 IKAB COc1cc2c(cc1OC)[C@@H](C)N(CC(=O)N1c3ccccc3Sc3ccccc31)CC2 9129536 GQTROGJMGGUQLM-QGZVFWFLSA-N 446.572 5.452 0 40 IKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 9190028 LEGIQMMIBHNQFE-CYFREDJKSA-N 428.532 5.619 0 40 IKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1cccc(Br)c1 9391579 YEBJAALOYMDHFZ-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB C[C@H](c1nnc(SCC(=O)c2ccccc2F)n1-c1ccc(F)cc1)N1CCCCC1 9468711 QNTAFWVFUMZWTD-MRXNPFEDSA-N 442.535 5.067 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccnn3C3CCCC3)s2)cc1Cl 9512863 FUHDZHGPPNUGCP-UHFFFAOYSA-N 449.005 5.286 0 40 IKAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1nc2ccccc2s1 9625723 MTJSADVQYXTMMK-UHFFFAOYSA-N 443.941 5.231 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(OCC)cc3)on2)sc2c1CCCC2 10232777 FMDYEBWYGLRUCP-UHFFFAOYSA-N 440.521 5.110 0 40 IKAB CC(C)(C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(Br)cc12 11865305 GIRANNZKOXRVQT-UHFFFAOYSA-N 434.717 6.064 0 40 IKAB biogenic COc1cccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)c1 11867547 ZJGJYKIFQIRKFU-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB Cc1ccc(NC(=O)c2sc3ncn([C@@H](C)C(=O)c4ccccc4)c(=O)c3c2C)c(C)c1 11990628 VUIPXLQGLLOWFK-KRWDZBQOSA-N 445.544 5.079 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)NC12CC3CC(CC(C3)C1)C2 12312196 ANAAAYVMBOCVFD-DHZHZOJOSA-N 441.550 5.777 0 40 IKAB COc1ccc(-n2c(S[C@H](C)C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 12528981 WWXQRSRLOAFARV-GOSISDBHSA-N 435.593 5.521 0 40 IKAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccc(Cl)cc1 12620849 AOLIKTGQXBUVJN-ADXLDGDMSA-N 437.967 5.038 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12678219 ZYEGGTVPPFQMDZ-JOCHJYFZSA-N 430.577 5.395 0 40 IKAB COc1cccc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1OC(F)F 12997224 FSRSYJXCQNSRDU-LPQFERQCSA-N 430.476 5.283 0 40 IKAB CCOc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 13009070 GFMCHSLIJMVAER-HNNXBMFYSA-N 436.537 5.144 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 13634927 SMESCQMDDRJCSJ-FQEVSTJZSA-N 430.335 5.975 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCc1cccnc1 13686743 DHRYOYWKVNPKLR-UHFFFAOYSA-N 435.527 5.172 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 13811416 ZJHYWCDBMLSWBM-WBMJQRKESA-N 439.965 5.310 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Br)c4)cc3n2)cc1 13946126 MVLDLCFSYGQOBY-UHFFFAOYSA-N 435.325 5.306 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14399100 JQWZBVLAHTYETO-HNNXBMFYSA-N 440.436 6.108 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3cccc4ccccc34)cs2)cc1 14586431 UNWLFFVUBGTBCR-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc3ncsc3c1)CC2 15317822 UURTXQHKEZUHIJ-DEOSSOPVSA-N 430.529 5.101 0 40 IKAB CN1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 16916128 XOZVAFPWUHETIL-UHFFFAOYSA-N 435.574 5.030 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)cc1 17138237 WFTCAVCHGVDYOC-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 19081967 QSUNDQZKZQFYRI-ATIYNZHBSA-N 449.639 5.519 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 20182371 ZRTRORHFFHEXEG-UHFFFAOYSA-N 438.553 5.633 0 40 IKAB Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1F 20395507 XAAOOKAGQFMRPF-HXUWFJFHSA-N 436.874 5.749 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 20610205 QJHHKSAYDWDCQG-UHFFFAOYSA-N 434.927 5.271 0 40 IKAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)c1 20796094 OBPSXAJIBUNSBL-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 22276117 QFOUYFGIHGFNQC-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1ccc(OCCSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 25387953 IBQWEZNDMLNKPR-UHFFFAOYSA-N 432.545 5.015 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)Nc1nc(COc2ccc(Cl)cc2Cl)cs1 26132021 PZUBRGOTOBYJRL-UHFFFAOYSA-N 432.332 5.691 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(I)c1 33537615 SJDWDMPPFMYKIE-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB Cc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)c(C)n1-c1ccc(Cl)cc1 33672150 UKBXREMXCVTKDV-LDADJPATSA-N 437.858 5.393 0 40 IKAB Cc1cc(C)cc(-n2cnc3c(N(Cc4cccs4)c4ccc(C)c(C)c4)ncnc32)c1 35681892 HHUBKKQXRLNCPW-UHFFFAOYSA-N 439.588 6.449 0 40 IKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)NCc3ccccc3Cl)c12 36613215 XXDAMBLICGXXOB-UHFFFAOYSA-N 430.939 5.249 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CN2CCc3ccccc32)cc1 38752943 DNUKVMFADBIQLL-UHFFFAOYSA-N 439.559 5.128 0 40 IKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@H](c1ccccc1Cl)N1CCCC1 40043258 IBJZFGOMBJXOBT-GOSISDBHSA-N 448.032 5.261 0 40 IKAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 58179688 JIGSEEZPKKUHQU-XMMPIXPASA-N 431.923 5.396 0 40 IKAB CC[C@@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(F)(F)F)c1 60306131 MSDCYKQSYNZDCM-CYBMUJFWSA-N 437.462 6.173 0 40 IKAB Cc1ccc(-c2cc3c(N4CCN(c5cc(Cl)ccc5C)CC4)nccn3n2)c(C)c1 67285141 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437.326 6.250 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113965172 BQCXGMHNMHFTAM-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2)cc(C)c1Br 218834011 DHLRQNYVRDAVBZ-UHFFFAOYSA-N 442.806 5.148 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Br)cc1Cl 218947108 JMBNIEGWXNOSQT-MRXNPFEDSA-N 438.749 5.208 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219839005 AHBDWHMJLGNWIU-KRWDZBQOSA-N 436.939 5.700 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 222386193 LCWTZODELCHYJI-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222942947 OLCNVXUWGGUAAR-AREMUKBSSA-N 430.592 5.147 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223058917 VUFAQGJHSZXYQL-VWLOTQADSA-N 448.994 5.252 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C 223322920 VYHSPSGHGGZUPQ-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223960535 GLIHESMPKKBUMH-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224171166 OGJCRPIXYDSEQY-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1C 224374709 ISONKBMCKGIUGJ-GOSISDBHSA-N 449.422 5.342 0 40 IKAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224540263 JQBCWUOYWCJJGR-UHFFFAOYSA-N 444.553 5.056 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)/C(=C/c1cccs1)NC(=O)c1ccccc1 224740074 WLEHDCZVQNVDQZ-UNOMPAQXSA-N 431.344 5.142 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCCCC4)cc3)CCCC2)c1 225510415 MKNSFECUYQYPIB-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB Cc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCOCC2)cc1 225570154 GUHVBGRAPVVLPR-UHFFFAOYSA-N 429.560 5.878 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC 225765272 YPWZDLYXPBUYJQ-KRWDZBQOSA-N 443.971 6.145 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1C[C@H](C)C[C@@H](C)C1 226324414 AVQPOMQYUQXGJW-ZIAGYGMSSA-N 430.390 5.383 0 40 IKAB CCOc1cc(COc2c(Cl)cc(C=O)cc2OCC)ccc1OCc1ccccc1 408540283 PPYXAKHGHYTHHX-UHFFFAOYSA-N 440.923 6.108 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(Cl)cc1 408559625 AGZWZRKOUXHVTB-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 408668367 WJQOHKPEQKXEIP-QPAVJXABSA-N 446.330 5.020 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(Cl)c2)c1 408695478 QTNRESSDJRJBBM-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972151 SVAHPCAIGRHQEM-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1cccc(C)c1 409096709 KZFSGJOJBWBIKQ-CIAFOILYSA-N 448.906 5.333 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 409112039 BORGIHGNNWNZFS-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(Br)c2)c2ccccc21 409114865 JSFKHKREDNOTMW-STZFKDTASA-N 448.360 6.244 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409136493 UVWRHPNBTHOFAO-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 409200765 JEMANWWWYUSHLT-RCCKNPSSSA-N 433.485 5.012 0 40 IKAB O=C1C[C@H](C(=O)c2ccc(Cl)cc2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 524730496 LBDYFOPUCFKBSV-INIZCTEOSA-N 446.842 5.095 0 40 IKAB biogenic Cc1ccc2occ(Cc3c(O)ccc4c(=O)c(-c5ccccc5F)coc34)c(=O)c2c1 585152415 BELRFMIZIXTVLQ-UHFFFAOYSA-N 428.415 5.310 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 682579 DMZDSSIXTVCWSK-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB CCOC(=O)c1cc(Oc2nc(C)nc3sc4c(c23)CCCC4)cc(C(=O)OCC)c1 710251 FOVAFNIHXAYDKS-UHFFFAOYSA-N 440.521 5.024 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(OC)cc2[nH]c1=O)C1CCCC1 895013 VVLBRMAVEJRDSC-UHFFFAOYSA-N 435.593 5.241 0 40 IKAB COc1cccc(C(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 1336273 YMDCNDZMPCNBBC-UHFFFAOYSA-N 426.567 5.063 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2086493 RIIAEVRCBMJKGK-UHFFFAOYSA-N 432.854 6.888 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@@H](C(C)(C)C)C3 2272437 KGDFTGTZTHPTDS-QGZVFWFLSA-N 426.651 6.159 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)cc1 2379049 GCUTYSNTAPOCJI-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 2412373 GHQDZUDTRSKUAB-UHFFFAOYSA-N 426.390 6.066 0 40 IKAB CCOc1ccc(-c2cn3nc(-c4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 2684446 OHBVOWHRMDXIJX-UHFFFAOYSA-N 426.347 6.512 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCO4)c1 2690131 BFBWGMHFUUJZSZ-UHFFFAOYSA-N 437.499 5.606 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1C 2691921 NULDXMNMAZMYAM-UHFFFAOYSA-N 439.490 5.779 0 40 IKAB CCc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)s1 2785587 UDOSGFGBQFWXNC-UHFFFAOYSA-N 441.438 5.756 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 3299886 MULNOVYFKGCMCD-UHFFFAOYSA-N 435.307 5.233 0 40 IKAB Cc1ccc(C(=O)O[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 3355116 YZWXHVYNBCDIJR-HXUWFJFHSA-N 447.840 6.204 0 40 IKAB NNc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(c2ccccc2)c2ccccc2)n1 4615607 JOGSPQDTQGKOHU-UHFFFAOYSA-N 427.556 5.008 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 6134471 MYKYUPZYUSCLKH-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3ccccc3)nc12 8383653 XXKJUDFNRUSOHS-KRWDZBQOSA-N 429.903 6.292 0 40 IKAB O=C1CS[C@]2(SC(/C=C/c3ccccc3)=NN2c2ccccc2)N1c1ccccc1 8438001 AXFALCCTGMJPEO-JOPBRCQMSA-N 429.570 5.658 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 8453353 UZDUOODWACQMEI-LBPRGKRZSA-N 441.163 5.741 0 40 IKAB O=c1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cn1Cc1ccc(Cl)c(Cl)c1 8762408 AHSBJMSSMGVFOB-UHFFFAOYSA-N 432.694 5.574 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccccc1Nc1ncc(-c2ccc(Cl)cc2)s1 8816234 DNURIPHXTHHIBQ-UHFFFAOYSA-N 440.355 7.113 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 8828217 JIWBVOQUBNCVRZ-QFIPXVFZSA-N 439.559 5.724 0 40 IKAB Cc1cccc(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCCO4)c3ccccc32)c1 9391734 JYSPLQQDYBXHEK-UHFFFAOYSA-N 444.556 5.500 0 40 IKAB COc1ccc(-n2ccnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 9466598 LSZZMWMPZYLSJD-GOSISDBHSA-N 429.545 5.667 0 40 IKAB Cc1nc2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2n1-c1ccccc1 9515403 SJXSRSGYOVDVJJ-UHFFFAOYSA-N 428.517 5.021 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)cc1OC 9518452 BHHLPMBLHDUDBO-UHFFFAOYSA-N 444.487 5.274 0 40 IKAB O=c1cc(CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)nc2sccn12 9562856 LADLUBNSAGZNKX-UHFFFAOYSA-N 438.965 5.100 0 40 IKAB Cc1ccc2nc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)sc2c1 9580593 LHUHDQRECAGEKT-UHFFFAOYSA-N 439.541 5.068 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccc(Cl)cc2)cc1C 9599191 PIQXQXYTCYUIKB-UHFFFAOYSA-N 425.985 5.800 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C)n2-c2cccc(C)c2)cs1 9670383 RJMSTVHRRRYSOX-UHFFFAOYSA-N 435.578 5.318 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc2ccccc12 9678920 VRQZGWMVQVCPBU-MHZLTWQESA-N 441.914 5.501 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(CCc3ccccc3)n2-c2ccccc2)c1 9851185 GQMHALVRVNPBFA-UHFFFAOYSA-N 428.561 5.092 0 40 IKAB CC(C)(C)c1ccc(C(=O)n2nc(NCc3ccccc3)nc2NCc2ccccc2)cc1 9907508 LAJBIRDAMMLNTP-UHFFFAOYSA-N 439.563 5.488 0 40 IKAB O=C(c1ccco1)n1nc(NCc2ccccc2Cl)nc1NCc1ccccc1Cl 9948597 QJTWWWJMNHGSDW-UHFFFAOYSA-N 442.306 5.091 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 11114924 GLUOSQCIQGZHIV-SFTDATJTSA-N 427.957 5.165 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C)c4nnc(-c5cccs5)o4)o3)cc2C1 12598716 HYUNKELBVUUNAF-WDEREUQCSA-N 430.580 5.888 0 40 IKAB CCN(c1ccc(NC(=O)/C=C/c2csc(N(C(C)=O)c3ccccc3)n2)cc1)C(C)C 12606412 HODRZDVOLNQPNS-DTQAZKPQSA-N 448.592 5.714 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc(Cl)cc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 12644362 QCUVHDXTHJIMJQ-UHFFFAOYSA-N 448.925 5.780 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2OC)cc1 13645321 BIUPODNFTOFXSQ-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 13687814 LCHKXDKTKRGGQK-UHFFFAOYSA-N 448.950 5.797 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccc(OC)cc1 14083091 VEPWRPDDVHTZGA-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106784 JICHAFKSBBFJOC-OAHLLOKOSA-N 440.908 5.165 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc2ccccc12 15163238 PITDIPZKFWYDLE-UHFFFAOYSA-N 447.563 6.695 0 40 IKAB Fc1ccccc1-c1nc2ccc(Cc3ccc4nc(-c5ccccc5F)oc4c3)cc2o1 18051101 DIMVHRBATXUSDU-UHFFFAOYSA-N 438.433 7.172 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1 19286830 PXORNXUSWIQMIH-KRWDZBQOSA-N 427.335 5.174 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccncc4)C3)n2)c1 19294085 ZNKGKJFHYMBIOU-OAQYLSRUSA-N 440.526 5.196 0 40 IKAB COc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1NC(=O)c1ccco1 19945483 PDDZIEDEUSTVJP-UHFFFAOYSA-N 438.911 5.644 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1ccc(OCCSc2ccccc2)cc1 20493613 BTXHJWCNPQGOMW-UHFFFAOYSA-N 446.572 5.346 0 40 IKAB CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OCC 20633540 BPUXHYZZCLBFPD-HSZRJFAPSA-N 435.524 5.074 0 40 IKAB CC(C)c1ccc(NC(=O)CN(c2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 22274261 AVLWBMBRTPBOLF-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26091086 YHCCUSGWMQRTHL-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(-c4ccc(F)cc4)s3)cs2)CC1 27913916 SOVZASPGNPANJC-UHFFFAOYSA-N 442.625 7.613 0 40 IKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cc(C)cc(C)c2)cc1 28288750 XJWPSUBYHZZOOG-MHZLTWQESA-N 428.532 5.420 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 30753286 SQFDETCSTBSXIV-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 32611275 ULFBMKMWLRBEFE-UHFFFAOYSA-N 442.584 6.926 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)c1 32685823 XUBUGIFNTSMLPE-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@@H]2C1 33495377 JFSHUTJDVKUMTJ-RYGBWLFBSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro Cc1csc([C@H](C#N)C(=O)c2cc3c(-c4ccccc4)nn(-c4ccccc4)c3s2)n1 33546172 WTFOKPQYOXMPDB-LJQANCHMSA-N 440.553 6.009 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)Nc1ncccc1OCc1ccccc1 35623027 HKNVLWXYTWHNDS-UHFFFAOYSA-N 425.488 5.884 0 40 IKAB Clc1ccc(COc2nc3ccccc3nc2/C=C\c2ccc(Cl)cc2Cl)cc1 36092275 CVPVEXKIMQIQLS-WQLSENKSSA-N 441.745 7.339 0 40 IKAB CCOC(=O)c1cc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)ccc1Cl 44902126 YTWWXSLANLZJFX-UHFFFAOYSA-N 431.897 5.110 0 40 IKAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OCc1cccc(C(F)(F)F)c1 48235006 FSHWYWDTNDJWNA-NRFANRHFSA-N 428.410 5.147 0 40 IKAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C3CC3)[C@@H](C)C3CC3)c12 48300759 HAEHBKHOFIQIKE-ZDUSSCGKSA-N 429.442 5.620 0 40 IKAB CCCn1c(-c2ccncc2)nn(CN(Cc2ccc3ccccc3c2)C2CC2)c1=S 48374489 PKDLPKYRFAFAMR-UHFFFAOYSA-N 429.593 5.661 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(F)ccc3C)o2)c1 59179698 VKINUGSLTQRXKU-UHFFFAOYSA-N 429.517 5.259 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccccc1 59186117 HRCYDONXKATYGE-ODLFYWEKSA-N 425.406 5.786 0 40 IKAB C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)cc1F 59926454 BSEHNRLPPSXHOT-KRWDZBQOSA-N 428.552 5.444 0 40 IKAB COc1cc(OC)cc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)c1 67245262 IAIQVXVWSJDCCK-UHFFFAOYSA-N 439.471 5.033 0 40 IKAB CC(C)c1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 67245629 SMTAIFBURZWCLF-UHFFFAOYSA-N 448.997 5.602 0 40 IKAB C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 71869070 VTMSXXPZLXVOOR-MRXNPFEDSA-N 440.952 5.282 0 40 IKAB CCOP(=O)(OCC)[C@@](NC(=O)OCc1ccccc1)(c1ccccc1)C(F)(F)F 91252837 GZSDOGMDDCCTGM-IBGZPJMESA-N 445.374 5.594 0 40 IKAB O=C(CCSc1ncnc2c1[C@H]1CCCC[C@H]1S2)Nc1cccc(C(F)(F)F)c1 96305869 CARSRCWHZXMFIO-LSDHHAIUSA-N 439.528 5.748 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N(c4ccccc4)[C@@]2(C)Oc2ccccc23)c(C)c1 100034364 GNYYBGWSEZCLCD-FXSPECFOSA-N 443.572 5.103 0 40 IKAB Fc1ccc(C2=C[C@H](c3ccc(Cl)c(Cl)c3)n3nc(C(F)(F)F)nc3N2)cc1 102230240 JZWXTDIPFHZJKA-OAHLLOKOSA-N 429.204 5.799 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cccc1OC 214804337 MADLYQXIDPVUKF-LICLKQGHSA-N 438.332 5.637 0 40 IKAB Cc1cccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)c1 215703532 APEIMCFOWMKWKP-QNGOZBTKSA-N 440.421 5.303 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 222708297 KMAAAPOXPYKQJK-NRFANRHFSA-N 435.395 5.258 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)c2)cc1 222942639 BVAATFISNLOYPD-LJQANCHMSA-N 448.588 5.166 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223221876 CUBKCMWPOHJYHT-HSZRJFAPSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223398420 CVUKBYAUAPZKEY-NRFANRHFSA-N 449.422 5.648 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223768932 XRAJEQVHBITZKQ-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)c(OC)cc1Cl 224116922 BXAHCVFQJIHHIC-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1 224308526 XXTTUWOJDOWYSB-UHFFFAOYSA-N 446.931 5.173 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1cccc2ccccc12 224636774 ZAPKVKSXMNRODV-UHFFFAOYSA-N 431.576 6.660 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224962849 MOQCPKPNOUHQJN-UHFFFAOYSA-N 431.879 5.873 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225133889 YMAXOKACLUWRBT-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225158836 ZNGFKKSIOMNAIA-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CCn1c(SCc2cccc(Br)c2)nc2c(-c3ccccc3)c[nH]c2c1=O 225545680 GJKSYVCNIAPJPC-UHFFFAOYSA-N 440.366 5.466 0 40 IKAB CCCCN(c1ccccc1C(=O)O)S(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 226855701 JOPWJQNBGRJXHU-UHFFFAOYSA-N 436.744 5.340 0 40 IKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2cc(C(F)(F)F)ccc2Br)c1 228951327 PIBOYWOBXBSITA-UHFFFAOYSA-N 431.252 6.245 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)c1 257307260 SXXDHPAIEAISST-NRFANRHFSA-N 438.531 5.320 0 40 IKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 408604006 CPIWWHDZVZPOHG-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1 408646060 SXNMLTPSKXVRRE-QFIPXVFZSA-N 442.559 5.898 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408695032 OFUCBWFKIXETBT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c1 408915254 PSLXUQOSFRIGMW-NTEUORMPSA-N 440.952 5.410 0 40 IKAB Cc1ccc(N(C)C(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1C 408980335 VMWMSYPRKWZJIM-UHFFFAOYSA-N 445.526 5.647 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1F 409116717 LCEJYDIDKNSMHX-HMAPJEAMSA-N 431.507 5.957 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409121465 XCLPSVNIIQWBDD-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 409178203 KZRANZLRTSEMAO-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB Clc1cccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)c1 409198403 FRMOAQPMVABARV-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COCCN1C(=O)S/C(=C/c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409210863 HEWCEOXQXYRJCD-RGVLZGJSSA-N 444.915 5.165 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 585295305 UGALGLLGFUPAIQ-HXUWFJFHSA-N 426.973 5.343 0 40 IKAB COc1ccc(-c2nc(-c3c(C)[nH]c4ccccc34)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547138756 RFMQDHIGOQAWDJ-UHFFFAOYSA-N 427.460 5.176 0 40 IKAB biogenic COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc(OC)c1OC 723900 DAJBAAQACVTYSQ-NIYFSFCBSA-N 431.557 6.243 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 1341823 NMXKATVQRZRGPB-XMMPIXPASA-N 434.536 5.056 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1 1431964 TVAYOGMRSSKVGF-UHFFFAOYSA-N 438.281 5.222 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 2029536 ALEMMUBMDBKIGM-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB Cc1cc(=O)oc2c(C)c3oc([C@@H](O)c4ccc(Cl)cc4)c(-c4ccccc4)c3cc12 2180733 PPWWPKYKEYCZQM-QHCPKHFHSA-N 430.887 6.558 0 40 IKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccccc1F 2380206 QRAKUKZKAKDXCX-QABMSTFYSA-N 426.472 6.031 0 40 IKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 2399473 PNCAPBMRQSAXGP-NJHZRGNWSA-N 438.508 5.902 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc(-c2cc3ccccc3oc2=O)c1 2416286 PDQSPCYLZHBPIU-UHFFFAOYSA-N 431.447 6.612 0 40 IKAB O=C(NC[C@@H](Cc1ccc(Cl)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2510772 QLSXVPCWQQGLDI-QGZVFWFLSA-N 435.907 5.122 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)N2CCCCC2)c1C 2546527 UVIFOENUKWRGDS-QHCPKHFHSA-N 439.024 6.846 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccc(F)c(F)c1 2629031 KDLOVKVAYXCTBO-UHFFFAOYSA-N 443.858 5.935 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cc2cc(Br)ccc2oc1=O 2639440 UDCIAAQEKMTVHK-UHFFFAOYSA-N 430.298 5.114 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3nnc(C4CC4)s3)c2c1C 2661819 BRCGIOHWJGXUML-UHFFFAOYSA-N 439.591 5.441 0 40 IKAB Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)cc1Cl 3212604 CRRMAUNRLGCLBN-UHFFFAOYSA-N 442.093 6.114 0 40 IKAB Cc1ccc(C(=O)COC(=O)CSc2ccc3ccccc3c2Br)cc1 3244060 OXSLYKWAGBAXMI-UHFFFAOYSA-N 429.335 5.429 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)NC1CCCC1 3286969 DDAMROFGHDWCRK-KRWDZBQOSA-N 440.657 5.897 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(N(C)C)cc3)sc2-c2ccc(C)cc2)cc1 3440737 WIQDTYHHKKGBHC-UHFFFAOYSA-N 427.573 6.412 0 40 IKAB CCOC(=O)N1[C@H](c2ccccc2)N(c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OCC 4822494 DSGORSPFIDYVHA-DNQXCXABSA-N 445.519 5.736 0 40 IKAB CCOc1ccc(N[C@@H](c2ccccn2)c2c(-c3ccccc3)n(C)c3ccccc23)cc1 6144148 MBKBTDVGVNRLLV-NDEPHWFRSA-N 433.555 6.841 0 40 IKAB Clc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1Cl 6446371 SLYJEAOYUKFBIB-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB Clc1nc(NC23CC4CC(CC(C4)C2)C3)nc(N(c2ccccc2)c2ccccc2)n1 6446496 CEOQQAGAAPWHJM-UHFFFAOYSA-N 431.971 6.376 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nn1C(=O)C1CCCCC1 6860740 UBVOOKYEOPQYPN-UHFFFAOYSA-N 448.592 5.459 0 40 IKAB Cc1ccc(NC2=C[C@@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 8424602 ATYXXWBVRBLZJY-QHCPKHFHSA-N 433.349 6.150 0 40 IKAB CCCCCC1CCC(c2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2)CC1 8782127 SNORJSCNCMOSQA-UHFFFAOYSA-N 441.681 7.639 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nc(SCc2ccc(F)cc2)ncc1Cl 8916725 ZGSHVHGVQQMKFF-UHFFFAOYSA-N 441.837 5.833 0 40 IKAB CCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9307876 AVUHSJBBJHXQCH-OAQYLSRUSA-N 430.379 5.657 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1c[nH]c2ccccc12 9382296 HAJSGMIARSEHPB-UHFFFAOYSA-N 445.470 5.196 0 40 IKAB O=C1Cc2cc(-c3csc(NC(=O)c4cccc(Oc5ccccc5)c4)n3)ccc2N1 9386096 CLAUWURWBNKPEL-UHFFFAOYSA-N 427.485 5.349 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1Sc1nnc(Cc2ccccc2)o1 9515340 QOJILABFDDIZRM-UHFFFAOYSA-N 445.931 5.974 0 40 IKAB Cn1c(Cc2cccs2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 9603602 AQJKHZYSNASGDP-HXUWFJFHSA-N 438.553 5.079 0 40 IKAB Clc1cccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 9622581 HIJRXEXOGCDNFK-UHFFFAOYSA-N 444.970 6.515 0 40 IKAB COc1cccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)c1 9668420 NASGONLAAVCVCX-NDEPHWFRSA-N 448.522 6.192 0 40 IKAB Cc1cccc(NC(=O)[C@H](C)Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 9933737 ZKUWSUOTWTUBJY-SFHVURJKSA-N 439.523 5.106 0 40 IKAB Fc1ccccc1[C@@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 10336744 KTCBMXXVDGBOPP-WOJBJXKFSA-N 437.887 5.087 0 40 IKAB Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1NS(=O)(=O)c1ccccc1 10368328 IMNFMMLCPADKBS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12590307 UMZQDJUWIDJNEJ-QGZVFWFLSA-N 431.517 5.093 0 40 IKAB CCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c23)CC1 13062753 CMYYUHWLGFKMAA-UHFFFAOYSA-N 433.046 5.396 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@H]2c2cccs2)cc1 13112737 MBTLCFZQOJYVPP-QFIPXVFZSA-N 449.576 5.175 0 40 IKAB O=C(N[C@H](Nc1ccc(C(F)(F)F)c(Cl)c1)C(Cl)(Cl)Cl)c1cccnc1 13371534 JJUQEDDJVHWNOA-ZDUSSCGKSA-N 447.071 5.292 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 13965153 NUUCGUCVBPMAJO-KNTRCKAVSA-N 438.615 5.931 0 40 IKAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(Cc2ccsc2)CC1 14138995 NITAEBCLQDBADI-UHFFFAOYSA-N 432.545 5.031 0 40 IKAB CCOC(=O)c1c(NC(C)=O)c2c(C)c(C)sc2n1Cc1cccc(C(F)(F)F)c1 15680336 QETNFAQOBRHGGC-UHFFFAOYSA-N 438.471 5.522 0 40 IKAB CCOc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Br)c1OCC 16688366 FMYXRNJLLQAGTH-SVIALIIXSA-N 436.434 6.085 0 40 IKAB CCOc1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 16693073 QEQAATKJJWZPQX-DHZHZOJOSA-N 438.936 6.569 0 40 IKAB CC(=O)[C@]12O[C@](C)(c3ccccc3)O[C@@H]1C[C@@H]1[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@@H]3CC[C@@]12C 17354340 PPUSJZGJZQKJEP-JPEXZASVSA-N 434.576 5.354 0 40 IKAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 17724672 NWNQOAZCDWMOGB-LNVAPUSYSA-N 435.564 5.002 0 40 IKAB biogenic Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 17917857 UNPWUJZCWFCHDA-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)cccc2c1=O 18104668 RSZGMEOMHZPQTE-UHFFFAOYSA-N 438.483 5.148 0 40 IKAB CC(=O)Nc1cccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 19929257 AWQWFBSSWXQTBP-UHFFFAOYSA-N 444.516 5.152 0 40 IKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1csc(-c2cccs2)n1 30476595 VGGFDAPSLNLQOF-UHFFFAOYSA-N 426.588 5.784 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 30947146 LIABVCPXUXOGED-BPOJBYEUSA-N 442.647 6.639 0 40 IKAB COc1cc2c(cc1OC)-c1c(c(C(=O)Nc3c(C)cccc3C)nn1-c1ccccc1)C2 32090368 YRWYRVNGIIDVQU-UHFFFAOYSA-N 439.515 5.330 0 40 IKAB Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccccc1Cl 32096324 PLPYEXRZCKWVDW-UHFFFAOYSA-N 434.952 5.015 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32623166 IJNHZMHZJPVQGP-QGZVFWFLSA-N 429.476 5.127 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc(Br)c2)cc1OCc1ccccc1 33363699 PAQATBVEWQPAEH-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 33582674 GTPOKFWUTGXINQ-UHFFFAOYSA-N 429.781 6.297 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 35104633 DWJXLYJYEDRHGZ-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB CC[C@H](C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cnn(CC)c2C)cc1 36615317 CNXZSOBCIWHOMY-FQEVSTJZSA-N 439.625 5.159 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@H]1c1ccc(-c2ccccc2)cc1)CCCC3 40422632 ZRWLPNPYQIGISH-DEOSSOPVSA-N 439.559 5.604 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 45929820 XOOYDICDJURKRK-UHFFFAOYSA-N 430.533 5.975 0 40 IKAB Cc1cccc(NC(=O)N[C@@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 57015952 KEBYHGNSWSGQQM-GBXCKJPGSA-N 434.609 5.130 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCC(C(=O)N2CCCCCC2)CC1 57362897 RPPPYCLSHHNDBL-AREMUKBSSA-N 443.591 5.207 0 40 IKAB CC(=O)N(c1nn(CN(C2CC2)[C@@H](C)c2cccc3ccccc23)c(=S)s1)C1CC1 58080518 LSTZRWUNLQZCCZ-HNNXBMFYSA-N 438.622 5.526 0 40 IKAB COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 72372705 CUHHQODFCCBGAR-XMMPIXPASA-N 447.583 5.033 0 40 IKAB COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 72372708 UGJZQSWYIMQOQY-QFIPXVFZSA-N 438.597 5.391 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@@H](C)c2ccccc2F)c1C 95446418 ITHBEHYLJTVZCW-HNNXBMFYSA-N 445.336 5.616 0 40 IKAB C[C@H](c1ccccc1)N1C[C@H](c2ccccc2)[C@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@@H]21 95951558 HBCKQDJNNYSOKP-CDLYNWKESA-N 434.580 5.042 0 40 IKAB CCOc1cc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)ccc1O 96767531 IFCOVKOVSWCROZ-FSEPTYSPSA-N 431.532 6.186 0 40 IKAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=O)N(C4CCCCC4)[C@@]2(C)Oc2ccccc23)c(C)c1 101353295 KXQFAGOJTDAXKN-UMFSSWHCSA-N 433.552 5.066 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c(C)c1 107620676 FTXBRSHYQLWPQQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc2ccccc2c1 107985941 BGJJAKMQWVXSAQ-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108864213 MHPVRNIEPWMZQJ-GPHNJDIKSA-N 444.604 5.239 0 40 IKAB CCOc1ccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958690 MMWIUZMVPYNMFA-UHFFFAOYSA-N 442.603 5.470 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1c(F)cccc1F)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 169527665 SSILIVIEHFXVKW-CWGXUGAXSA-N 439.461 5.388 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c(Br)c1 218876580 TUAGXMSBMPITJH-GOSISDBHSA-N 432.358 5.370 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1N(C)S(C)(=O)=O 222455209 JPRQHVRTLBMLPX-UHFFFAOYSA-N 444.940 5.089 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 222588381 WBMPAONHIFAGGM-CVRXJBIPSA-N 437.012 6.040 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 222777610 IKVNEUVFAXDHLA-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 223163011 OTASSGWJADBLDJ-RJDQKLELSA-N 446.616 6.002 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 223304762 MVFTVGGNGSHEKA-RJDQKLELSA-N 430.548 5.534 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 223374699 CBQJTVITEXIMMD-LOSJGSFVSA-N 439.588 5.057 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 223668137 BBMOWXLIMKIMGJ-UHFFFAOYSA-N 442.603 5.351 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223870344 WNWLXJZFHPTDSY-QGZVFWFLSA-N 449.422 5.603 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)cc1 223957484 HOYHMIIUERULAM-XMMPIXPASA-N 436.577 5.313 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 224195444 MCLFEENFYLLVAM-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224328373 XQTBYIIBORRTBE-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc(Cl)cc1 224480434 FLHQDDMRMRMZCU-GOTSBHOMSA-N 437.012 6.219 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccccc1C(C)(C)C 224507627 GPHRFESITFAYBE-UHFFFAOYSA-N 431.576 6.200 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 225156021 KOPZHERCTWKXFE-ULJHMMPZSA-N 446.572 5.788 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 225574070 SNHFYQUIZVFLIQ-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)c1ccc(-c2ccsc2)cc1 225620118 JNMHWRIVPZJFAD-NRFANRHFSA-N 432.545 5.445 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Br)c2)c1 225622627 IKVQTIZNULNGIG-UHFFFAOYSA-N 446.728 6.085 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)c(C)c1 225769301 PPAPJRXZEQAMSZ-AREMUKBSSA-N 443.616 5.815 0 40 IKAB CCOC(=O)c1cc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)ccc1Cl 225866421 PYWOSXSQEXPDNO-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972195 KUOADMQXQLAAOH-OALUTQOASA-N 437.657 5.066 0 40 IKAB O=C(N[C@@H](Cc1ccc(C(F)F)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 228918493 MKKRFWADPCHCFX-QFIPXVFZSA-N 437.442 5.159 0 40 IKAB CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 257285730 PINXLDWUMIWHGJ-ACRUOGEOSA-N 436.600 5.011 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 260762906 HVDXZQGETAPWNK-PZVFOTJXSA-N 444.387 6.628 0 40 IKAB Clc1cccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 408609943 POEWPSZIRGWCBX-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(Cl)c2)cc1 408693653 BMLDSQZJMYQISO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 408906154 CQVPQKXEQIWLLI-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCN1C(=O)S[C@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409145350 NVNAERKQVGJMAV-MRXNPFEDSA-N 428.312 5.338 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccc(F)cc3)cc12 1244575 UOHGVKLOTPCCHK-UHFFFAOYSA-N 434.419 5.643 0 40 IKAB biogenic CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1327134 FHMHCMYQADLEKM-UHFFFAOYSA-N 435.911 5.571 0 40 IKAB Clc1ccc(-c2nc(N3CCN(c4ccccc4Cl)CC3)nc3ccccc23)cc1 2060960 HAQKOXBTUXNDGK-UHFFFAOYSA-N 435.358 5.930 0 40 IKAB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)OCC(=O)c1ccc(F)cc1 2079604 VCAJPSPCPGCDBS-UHFFFAOYSA-N 433.866 6.042 0 40 IKAB COc1ccc([C@@H](Nc2ccccc2)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2391243 XJCNDWJGARFDTN-VVFBEHOQSA-N 438.508 5.901 0 40 IKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)cc4Cl)nc32)cc1Cl 2420846 CJUROJJUVRJNMW-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB COc1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1 2421473 NONVQIOQUSIISX-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic Cc1sc2ncnc(SCC(=O)c3ccc(F)cc3)c2c1-c1ccc(Cl)cc1 2679514 KVECSVGPCZORLN-UHFFFAOYSA-N 428.941 6.434 0 40 IKAB CCOC(=O)c1c(NC(=O)c2c(F)cccc2F)sc(C)c1-c1cccc(Cl)c1 2766921 LFHZFPDQYGNFEB-UHFFFAOYSA-N 435.879 6.084 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 3012767 HUGDTICCNXCSBI-VQTJNVASSA-N 428.458 5.721 0 40 IKAB CCCc1cc(=O)oc2cc(OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)ccc12 3231397 WPNNZQCEBNAMLH-UHFFFAOYSA-N 439.817 5.435 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)s1 3241540 UKJDFEQXYBADNI-UHFFFAOYSA-N 440.196 6.255 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 4521459 NJICGAVMYWKCMW-XOEGDGRGSA-N 442.728 7.738 0 40 IKAB CCCCCC(=O)OCCCC[C@H](COC(=O)CCCCC)OC(=O)CCCCC 4705785 UPXIBCOKKJURHS-OAQYLSRUSA-N 428.610 5.896 0 40 IKAB Nc1c(C(=O)NC2CCCC2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 6189484 REUXFKTZWZZNNN-UHFFFAOYSA-N 425.985 5.750 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 6787970 ZMDKOQZOTYNUEF-MHZLTWQESA-N 427.592 5.237 0 40 IKAB Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)c(C)c1 6901075 GILXOYVUFRVDBJ-UHFFFAOYSA-N 426.568 5.183 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(C(C)C)cc5)c(N)c24)CCCC3)o1 8400596 VOROQAUIOGAITP-UHFFFAOYSA-N 445.588 6.701 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCc2[nH]c3ccccc3c2C1 8748075 PVKQNSSMDWXBAH-UHFFFAOYSA-N 428.517 5.306 0 40 IKAB COc1ccccc1/N=c1/scc(-c2ccc(C)cc2)n1CCc1c[nH]c2ccccc12 8771470 LLYOMTQIZLWZBX-ORIPQNMZSA-N 439.584 6.490 0 40 IKAB CCCCOc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 8779011 IAHKVDIHZLUEJE-UHFFFAOYSA-N 442.603 7.140 0 40 IKAB COc1ccc([C@@H](CC(=O)NCc2ccccc2)Sc2nc(-c3ccccc3)n[nH]2)cc1 8830494 GUZHTODTKVHHDT-JOCHJYFZSA-N 444.560 5.020 0 40 IKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3cccnc3)o2)cc1 8844593 DXDGEBGEEDSLAE-UHFFFAOYSA-N 439.924 5.143 0 40 IKAB CC1(C)C(c2ccccc2)=NN(c2ccc(CNCc3ccccc3)cc2)[C@@H]1c1ccccc1 8914042 FBIRIRZWKHNLQS-SSEXGKCCSA-N 445.610 6.968 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 9054309 QZINUEPRGFBGKC-ZJSXRUAMSA-N 435.568 5.083 0 40 IKAB Cc1ccccc1-c1nc2c(c(SCc3ccccc3)n1)Cc1c(CO)cnc(C)c1O2 9116394 GEIVNTKOQAGTQR-UHFFFAOYSA-N 441.556 5.637 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 9209410 SWPZOBJVMLVQAG-RXVVDRJESA-N 441.350 5.762 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1 9215722 KCHRNDOCUBHYDC-SFHVURJKSA-N 437.908 5.171 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccccc1C 9305547 CVVIQFARBMNKFD-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@H]1c1ccc(OC)c(OC)c1 9391173 RTAWMFHSLIYQTH-RUZDIDTESA-N 449.620 5.432 0 40 IKAB CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 9410689 SRUJEYYOENSBBW-ROUUACIJSA-N 434.487 5.097 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl 9685030 XNPNPTGISRHVCI-LJQANCHMSA-N 428.945 5.056 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2ncnc3sccc23)cs1 9780469 CFXRFTUGRZIJLM-UHFFFAOYSA-N 426.592 5.742 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](c4cccs4)C(C)C)c(=O)c23)cc1 9912334 WULCJAOMVNPHJR-NRFANRHFSA-N 437.590 5.008 0 40 IKAB O=c1c2cc(Br)ccc2n(Cc2cccc(Cl)c2)c(=O)n1C1CCCCC1 9935569 FFNSDCBILUCPCI-UHFFFAOYSA-N 447.760 5.133 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2C)cc1 10314664 DPXIJZOEUAPYMA-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 10367320 YQPLABNDKWETNU-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 10434545 PYUQOWJVTZAOTK-QFIPXVFZSA-N 426.545 5.689 0 40 IKAB O=C(CCc1csc(NC(=O)c2ccco2)n1)Nc1ccc(Oc2ccccc2)cc1 11834997 JJTQUMHLZXYBLW-UHFFFAOYSA-N 433.489 5.352 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1=C(c2ccccc2)SCCO1 12321636 WPDSXPVVYUMSGW-UHFFFAOYSA-N 445.566 5.040 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 12528066 FKUFYGKZRZDOMR-HOTGVXAUSA-N 444.580 5.142 0 40 IKAB CSc1nncn1-c1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 12536552 CRABWWQCIBYUOH-UHFFFAOYSA-N 446.601 5.451 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)N1N=C(c2ccco2)C[C@@H]1c1ccco1 12697976 XWHZGSQPVKDFQC-GOSISDBHSA-N 435.530 5.466 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C)cc1 12745139 IFXIVYJRTIOWNM-UHFFFAOYSA-N 442.584 6.678 0 40 IKAB COc1ccc(-c2nnc([C@@H](C)OC(=O)c3c4c(nc5ccccc35)CCCCC4)o2)cc1 12933848 POKYEVGEHWIPQJ-MRXNPFEDSA-N 443.503 5.480 0 40 IKAB O=C(Nc1ccc(SC(F)F)cc1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976401 PAJSKTYDTGXHEB-VYBOSXCSSA-N 434.552 5.147 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)Cn1c(COc2ccc3ccccc3c2)nc2ccccc21 13037808 JOTDSPHBVNCGFR-UHFFFAOYSA-N 445.522 6.441 0 40 IKAB Cc1cc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c(C)n1C[C@H]1CCCO1 13039568 CQWYBPBIYDJPPF-OAQYLSRUSA-N 431.561 5.813 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 13117271 ZPRXWVXLPPKHKF-BVAGGSTKSA-N 428.532 5.435 0 40 IKAB Clc1ccc(C2=NN3[C@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 13592117 PVZCLABLYJNPSD-IFMALSPDSA-N 429.734 6.889 0 40 IKAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13687940 XSBYIPJWWFFLED-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB Cc1ccc(C(=O)CCC(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)s1 14503284 UPXFXSLGGXSLQD-UHFFFAOYSA-N 443.572 5.248 0 40 IKAB COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 16195868 ZLWVZJBMZKTLNQ-UHFFFAOYSA-N 448.307 5.605 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(Br)c1 17095109 QGROAWDHKUAINI-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c(C)c1 17095178 PEDBXWPXBVJIRG-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1 17095822 ZYZSLOBFYMOLJN-KRWDZBQOSA-N 428.488 5.018 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cc(Cl)cc(Cl)c1O 17099919 JYFXUYSBFAMQHV-DUXPYHPUSA-N 436.147 5.532 0 40 IKAB CC(C)n1cc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 19454805 SOPKNZRLDLWPMN-SANMLTNESA-N 446.639 5.733 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2nn(-c3ccccc3)nc2c1 20609881 LDCYRFBQLKMRKU-NTCAYCPXSA-N 440.890 5.986 0 40 IKAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)cc1 20632395 WLODANUOJKJUSA-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2cccc(Cl)c2)N(Cc2ccco2)C3=O)c(O)c1 20868207 NLJXSUCFZCKKFB-QHCPKHFHSA-N 433.895 5.391 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2cc1C 21579278 HQZFJXNTZGJGSB-UHFFFAOYSA-N 446.550 7.191 0 40 IKAB CCOc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=N)NC3=O)cc2c1 21596695 GAWQRVSOUWVKMV-WOJGMQOQSA-N 441.965 5.577 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Oc2ccccc2)cc1 23055411 VWEYPBUAFQLTOV-UHFFFAOYSA-N 447.922 6.235 0 40 IKAB O=C(Oc1ccc2ccccc2c1CN1CCOCC1)c1ccccc1Oc1ccccc1 23243018 WQGXJMNSDLPQJA-UHFFFAOYSA-N 439.511 5.684 0 40 IKAB Cc1cccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Sc3ccccc3)C(=O)O2)c1 27573013 PZRQZDNKIGZDRS-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(=O)c2cc(Br)ccc2o1 27794600 XIJGNYJZHOBPPE-UHFFFAOYSA-N 446.606 5.480 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 32126348 LQXAQWBTZPMJRM-UHFFFAOYSA-N 448.335 5.037 0 40 IKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)c1ccc(OC)cc1 34878605 VOJZWPGITHSTAV-UHFFFAOYSA-N 447.560 5.322 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616465 ZIWJATAQTFKFBT-UHFFFAOYSA-N 429.282 5.736 0 40 IKAB CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087846 FECFUZLLDJPHIV-UHFFFAOYSA-N 445.337 7.613 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 44906079 HNLWXFFPIXCAFF-QGZVFWFLSA-N 447.450 6.380 0 40 IKAB CC(C)c1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 48261447 TXGPICMHWKKWID-DEOSSOPVSA-N 427.552 5.392 0 40 IKAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccccc2Cl)CC1 58493525 JYSCWAZNJWOJIC-AWEZNQCLSA-N 436.865 5.292 0 40 IKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)C(c1ccccc1)c1ccccc1 59461316 NSMPBMFENWQOFK-UHFFFAOYSA-N 426.497 6.434 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2nn(-c3ccccc3)c3c2CC/C3=C\c2ccccc2)c1 59500003 OIKYHMLEPVSTSB-HEHNFIMWSA-N 448.526 5.570 0 40 IKAB COc1ccc(-c2cc(=O)[nH]c(SCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)cc1 65330985 YKIJTMAJRNXBMD-UHFFFAOYSA-N 448.548 5.085 0 40 IKAB COc1ccc(Cc2ccc(F)cc2)cc1-c1nnc(-c2cccc(Br)c2)o1 66088564 HULCINLQQAJRDG-UHFFFAOYSA-N 439.284 5.905 0 40 IKAB COc1cc(OC)cc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c1 67258645 WUVGCQDZYCPCOB-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(Cl)cc1F 67294549 OWNSDSMTFSTJFZ-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(O)cc2)c2c(C)nn(-c3ccccc3)c2N1 72332718 NTKFCLFBHJMUJL-RUZDIDTESA-N 436.515 5.356 0 40 IKAB C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccccc1Cl 84667947 PBQGSSIUGBITSQ-LLVKDONJSA-N 439.730 5.328 0 40 IKAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NC5CCCCCC5)cc34)co2)c1 96037843 SZTOXLGJAQURLT-UHFFFAOYSA-N 431.492 5.611 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2 96103664 NYEONVGUMMMXTC-IBGZPJMESA-N 446.469 5.054 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2c[nH]c3ccccc23)C[C@@H](c2ccccc2)C1 102689724 WMTVKRCQBJIXBW-SPLOXXLWSA-N 449.436 5.843 0 40 IKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1OC 102728014 CKOWHYRAUUEWKP-QMHKHESXSA-N 432.476 5.314 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 107748717 SDXNJKABYZEWIY-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 222955970 DRJXYRPRIHEBFX-INIZCTEOSA-N 444.413 5.882 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 223511036 NUPPNEKTQYMSAG-XZOQPEGZSA-N 444.585 5.394 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 223551091 OLKPFSAZFWIUEG-DHIUTWEWSA-N 444.585 5.394 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 223691246 KZXJQBUCAPNBLN-DEOSSOPVSA-N 440.653 5.342 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ccc(N2CCCC2)nc1 224002943 IQYMFJAUGMTLJP-UHFFFAOYSA-N 429.033 5.524 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224033040 IAQIFIQBJPKNOJ-QFIPXVFZSA-N 447.044 5.198 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 224049452 PLRKZLFEPVVHCL-SFHVURJKSA-N 447.044 5.214 0 40 IKAB Cc1ccc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl 224172046 ODZFIUCAHPGACV-UHFFFAOYSA-N 430.331 5.690 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C 224208979 ODJLKTXHEOJNKR-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc2ccccc12 224303715 SLOXJGJOEYQXDI-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCCC1 224574678 WCQIIXVAWBOHMD-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)c1 224649949 SMBWBWVHASESEQ-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 224704038 DLDUQBBFUOFHLR-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 224819559 SVYXZDFPAAKKOX-UHFFFAOYSA-N 429.560 6.103 0 40 IKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c1 224943393 VJOSRHQOYHSDLW-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225527922 XFBIKGKSBKRPQX-NFBKMPQASA-N 426.626 5.118 0 40 IKAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C 225643113 QRTSRSFUDIMYEB-OAQYLSRUSA-N 443.609 5.632 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 225696272 OPLKKICZTYAUML-GOTSBHOMSA-N 446.676 5.849 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3cc(C(=O)OC)ccc3Cl)CCCC2)cc1 225861879 BCEWQIXCKHXBCT-UHFFFAOYSA-N 432.973 5.281 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCCN3C[C@H]3CCOC3)nn12 247695710 ZZEZIEAAAHYMJO-RHSMWYFYSA-N 436.503 5.040 0 40 IKAB Cc1cccc(Nc2ccc([C@@H]3CN(Cc4nc5ccccc5n4C(C)C)CCO3)nc2)n1 257221470 DPEDUSZWAYXLHR-DEOSSOPVSA-N 442.567 5.033 0 40 IKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1 257229390 FXXOCJNVHHAVAP-IBGZPJMESA-N 442.943 5.057 0 40 IKAB COc1ccc(CC(=O)N2CCCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC 257256183 KKJXVBBERAYFOC-DEOSSOPVSA-N 448.538 5.510 0 40 IKAB NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)CCC2CCCC2)CC1 257316477 VFUCZYFHDQTMGQ-UHFFFAOYSA-N 436.571 5.100 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1F 408576472 VTNHOJSONMEYFH-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)Sc1nc2ccccc2o1 408633245 JITAEGUEADJEJC-BKUYFWCQSA-N 447.468 5.323 0 40 IKAB O=C(CSc1nnc(CCCOc2ccc(Cl)cc2Cl)o1)Nc1ccccc1 409016627 QXBSTYIUBLRNCU-UHFFFAOYSA-N 438.336 5.119 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 409197318 BGVXLDRSTSNFPF-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB O=C(/C=C/c1ccccc1)N1CCC(c2cc3ccccc3c(Nc3nccs3)n2)CC1 585292313 KONUAGBBMMVQHY-ZHACJKMWSA-N 440.572 5.854 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccc2ccccc2c1 1615055620 JXHSIVCRHOHQNP-UZUQRXQVSA-N 442.481 5.109 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878430 TVJQORPYWPEFAV-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CCc1ccc2[nH]c3nc(SCC(=O)Nc4c(Cl)cccc4Cl)nnc3c2c1 924304 YYEFLXXCPIDHHG-UHFFFAOYSA-N 432.336 5.106 0 40 IKAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)cc1 990105 JRTAAIJYRVGGEA-GDLZYMKVSA-N 441.571 5.688 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1378203 USJFAFZFDWXGLO-UHFFFAOYSA-N 433.533 5.141 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)OCc4ccccc4Cl)c23)C1 1778552 QIYPBDGZBPLTQB-CHWSQXEVSA-N 432.998 5.694 0 40 IKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 2122187 YKIOGWMNYPKBQC-UHFFFAOYSA-N 442.353 5.871 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3C)o2)sc2c1CCCC2 2138411 CISFUJIXBIRJDG-UHFFFAOYSA-N 443.952 6.278 0 40 IKAB CCn1c(SCc2cccc(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2255956 IYXRNARZRHDQQT-UHFFFAOYSA-N 430.617 6.289 0 40 IKAB Cc1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2259621 GXFWZPQHDLDDFO-UHFFFAOYSA-N 435.574 5.374 0 40 IKAB COc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccc(C)cc3)CC2(C)C)cc1 2299579 FWJMBOSGBRJCKS-MUUNZHRXSA-N 429.560 5.904 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2405419 LWABGKQWLFFCTG-GOSISDBHSA-N 438.892 5.051 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)s1 2665006 OZZWGRURQZWJAC-HNNXBMFYSA-N 440.594 5.140 0 40 IKAB O=S(=O)(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128217 KUYQTWDUQPEURR-UHFFFAOYSA-N 441.763 5.357 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1 3294476 RDKDECBRXLQSBB-UHFFFAOYSA-N 434.996 6.573 0 40 IKAB Cc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Oc3ccccc3)cc2)c1Cl 3305471 OPYKHUYICWNVKY-UHFFFAOYSA-N 431.344 6.221 0 40 IKAB CCCc1oc2c(cc(NS(=O)(=O)c3ccccc3)c3ccccc32)c1C(=O)OCC 3368349 FKIFOXXXAHVBJY-UHFFFAOYSA-N 437.517 5.516 0 40 IKAB Cc1cccc(-c2noc(CN(C(=O)C(c3ccccc3)c3ccccc3)C(C)C)n2)c1 4958739 OIXOENBDEIHLDZ-UHFFFAOYSA-N 425.532 5.614 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C3=NN(c4ccccc4)[C@@H](c4ccccc4)C3)cc2)cc1 8399269 DEECGEXOOATKHO-MUUNZHRXSA-N 447.538 6.303 0 40 IKAB O=C(NCc1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 8762918 OBAGNNBAECBFCB-UHFFFAOYSA-N 431.948 5.878 0 40 IKAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(Br)cc1F)C3 9293348 NKCWMZCMJHMRAC-UHFFFAOYSA-N 438.680 5.267 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccc(Br)o1 9414021 TZGFOLPTUYBGFK-UHFFFAOYSA-N 443.228 5.432 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 9499847 CORRNEZXGFTBII-QGZVFWFLSA-N 448.592 5.162 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cnc(Cl)c(Cl)c1 9506745 HXDFZYDVAAJUMN-UHFFFAOYSA-N 431.300 5.375 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)ccc1Cl 9730298 ZJGPAQWZRYLGNP-SFHVURJKSA-N 439.968 5.444 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)cc1Cl 9848689 DVXSGCNDHSJHFD-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(F)cc1 9959513 MBPSJZXREIOLCV-UHFFFAOYSA-N 436.895 5.208 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)C(c4ccccc4)c4ccccc4)cc3)oc2cc1C 10120380 LNDCJGMYBQFPAD-UHFFFAOYSA-N 446.550 6.560 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1OCC 10540273 KHPMHEJINMDUGI-UHFFFAOYSA-N 427.932 5.582 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc2c(n1)[nH]c1ccc(Cl)cc12 12496656 NWCPMJLLUTYCGQ-UHFFFAOYSA-N 425.945 5.015 0 40 IKAB COc1ccccc1NP(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 12575203 HXYJDQXODRIMAN-ISPAOBMBSA-N 444.298 7.860 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 12617794 SZEABVCPVGDZES-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F 12651108 DYDHTLQZFPIEED-UHFFFAOYSA-N 432.398 5.781 0 40 IKAB COc1cc(C2=NNC(c3cccnc3)=Nc3ccc(C)cc32)ccc1OCc1ccccc1 12707463 OMHPLLBUTSBSHJ-UHFFFAOYSA-N 448.526 5.412 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccccc1COc1ccccc1 12940064 DWSVVHMEDDQILZ-UHFFFAOYSA-N 436.939 5.328 0 40 IKAB CC(C)CN(C(=O)Cn1c(C(F)(F)F)nc2ccccc21)c1nc2ccccc2s1 13095486 RYNSKNUORLSYFY-UHFFFAOYSA-N 432.471 5.354 0 40 IKAB COc1cc(NC(=O)CCC2CCCC2)c(C(=O)NCc2cccc(Cl)c2)cc1OC 13134546 HRBOSVSZFQUIQD-UHFFFAOYSA-N 444.959 5.196 0 40 IKAB Cc1ccccc1C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 13227647 BXUHICDVZIPYII-UHFFFAOYSA-N 433.577 5.330 0 40 IKAB Brc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13776772 DOKAEKGYMXCJKA-AUSIDOKSSA-N 449.304 5.420 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(CC)cc3)n2CC)cc1 13871557 DALOOBJOAKEHEH-KRWDZBQOSA-N 438.597 5.294 0 40 IKAB COC(=O)Nc1nc2cc(Oc3ccc4ccccc4c3Br)c(Cl)cc2[nH]1 15134133 KNMDGUFENDUNPW-UHFFFAOYSA-N 446.688 6.103 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 16195711 BXUJOEJUTGOHTN-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB O=C(NCCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccc(-c2ccccc2)cc1 17043919 AVMCELPTEONNLJ-UHFFFAOYSA-N 444.844 5.041 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c(C)c1 17094690 XOWFYMFTSFZEAK-UHFFFAOYSA-N 425.985 5.775 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)noc2n1 19452052 AJCIHIBBIASZJO-CYBMUJFWSA-N 448.445 5.250 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4csc(C)c4C)C3)cc2n1 19522232 WRVBEZHIUGXFTA-AWEZNQCLSA-N 436.503 5.009 0 40 IKAB CCc1ccccc1Nc1cc(-c2cccnc2)nc([C@@H]2CCCN(C3CCOCC3)C2)n1 19523079 JLBYIZSPMPUOCZ-JOCHJYFZSA-N 443.595 5.203 0 40 IKAB CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 20085942 BYYWEIYBQNVJNG-YWJFVFATSA-N 436.502 6.028 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20610951 VMGKMBQCSWFXTF-UHFFFAOYSA-N 446.869 6.034 0 40 IKAB Nc1c(Cl)c(Cl)nc(C(=O)OCc2csc(-c3ccccc3Cl)n2)c1Cl 21760704 BUXCPEUHSSDYSS-UHFFFAOYSA-N 449.146 5.758 0 40 IKAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccc(C(C)C)cc2)cc1OCC 22072041 BLFSTDHOMIQOSR-UHFFFAOYSA-N 447.579 5.719 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cnc4c(cnn4C(C)C)c3)n2)cc1Cl 25055795 GEUUBHBNZPHPFE-UHFFFAOYSA-N 427.917 5.050 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)c1 25613820 OPEVBYZQSASMLT-FQEVSTJZSA-N 448.548 5.026 0 40 IKAB Cc1ccc(Sc2nc3c(C)cccc3cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 27572983 IYKNVELXYUGVDN-XQNSMLJCSA-N 436.536 6.347 0 40 IKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1[nH]c2c(c1C)C(=O)CC(C)(C)C2 30476604 NTMAQJWAYLOESE-UHFFFAOYSA-N 436.577 5.391 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3ccccc3)no2)cc1 32905993 CBDORNOXPDXXCP-UHFFFAOYSA-N 426.501 5.036 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1sc2cc(Cl)ccc2c1Cl 34690488 NOSPJDFROYLFLD-UHFFFAOYSA-N 448.758 7.906 0 40 IKAB CCn1cc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c23)cn1 36618483 WMFTVGADBQDCMY-UHFFFAOYSA-N 427.439 5.165 0 40 IKAB COCCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1-c1nc2ccccc2s1 48311238 JHQYVLSNHBJSID-UHFFFAOYSA-N 443.981 5.550 0 40 IKAB CC(C)[C@H](c1nnnn1C1CCCCC1)N(Cc1ccc(Cl)cc1)Cc1ccco1 57614111 MBMVAAVBTNIEST-JOCHJYFZSA-N 427.980 5.824 0 40 IKAB C[C@@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCc2sccc2C1 58415292 KCXCRIWNKGVDED-CYBMUJFWSA-N 448.375 5.628 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)cc1 67245223 QWTWAOTUQJTTOG-UHFFFAOYSA-N 437.499 5.723 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1F 69383065 HLOOAXQRZCIUQS-HSZRJFAPSA-N 425.463 5.032 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 89761483 ACIVDRLTBWWRHP-IYCMWDPESA-N 442.588 5.335 0 40 IKAB COc1cccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3cccc(OC)c3)C2)c1 95116615 ZVAKZLVHRODHEQ-RAXRNYJGSA-N 444.575 5.598 0 40 IKAB O=C(O)[C@H]1CC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)Oc2ccccc21 96268121 VSNOHBNWCJAVHO-FQEVSTJZSA-N 433.529 5.041 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C1 102313362 CDYZYGLKJLPYBW-KDYSTLNUSA-N 445.632 6.263 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C3=C(O)C2)c(OC)c1 102659283 DYFYPNDWLNTWQW-PEBXRYMYSA-N 436.899 5.014 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCC[C@H](c2nc3ccccc3s2)C1 105590929 YPUKXAKWKIWYMT-RNODOKPDSA-N 425.941 5.436 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccc(Cl)cc1 212032944 RMQPWLSTVLOHBB-WOJGMQOQSA-N 449.837 6.860 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 216290628 BZBRPQLBJLHBFM-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222629522 BMVXDBWETPTPLV-KRWDZBQOSA-N 433.017 5.154 0 40 IKAB Cc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222770061 QLRDMLDLJKXRAQ-IBGZPJMESA-N 445.003 5.139 0 40 IKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223354433 UNJOXYFFQBLGTI-HHHXNRCGSA-N 428.576 5.306 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 223644130 IEPDDCRPVWTKBD-XMMPIXPASA-N 440.653 5.342 0 40 IKAB COc1ccc(F)cc1S(=O)(=O)Nc1ccccc1SCc1ccc(Cl)cc1 223694262 OTQUOBQVIXLIFR-UHFFFAOYSA-N 437.945 5.581 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223796877 OSPXNDVYZVMIQC-JOCHJYFZSA-N 447.044 5.546 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223808175 XXCDUSLZXHBKPQ-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 224317011 ZBGZZWNIPFEDON-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224347612 WNHJNZQUXJTKRD-LOSJGSFVSA-N 443.547 6.220 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1Cl 224624421 APWKFWCDFGVBJH-UHFFFAOYSA-N 448.677 5.499 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225149963 AXUGVXBVUHLYGR-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C(C)C 225341663 FPBIQIFXFOZBBQ-RPBOFIJWSA-N 448.636 6.045 0 40 IKAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561890 DPHHZVIOMWBTIG-QFIPXVFZSA-N 436.596 5.017 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225658575 DBWHYKITIOIFRJ-IBGZPJMESA-N 447.044 5.071 0 40 IKAB O=C(NCc1cccc2ccccc12)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909830 WBRLXNQZWKEWDT-LJQANCHMSA-N 427.375 5.675 0 40 IKAB COc1ccc(C2OCC(C)(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CO2)cc1 225916891 JRGIYTQFXOGDNB-UHFFFAOYSA-N 449.547 5.574 0 40 IKAB C[C@]1(NC(=O)c2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1 257204528 AVAQDRIRQWCFAK-ARNLJNQMSA-N 441.905 6.400 0 40 IKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCC(C)CC4)CCOCC3)c2)c1 257225274 FFODCUBMMYRGJZ-UHFFFAOYSA-N 448.651 5.158 0 40 IKAB C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CCC(=O)NCc3ccc(CO)cc3)ccc2O1 257327685 XCGRKDUUAOFSTI-HHHXNRCGSA-N 449.978 5.018 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c1 408542943 BKVIYMXFPHWFSF-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(C)c(C)c1 408561087 GMUZGLMDYHOYLR-SGEDCAFJSA-N 434.649 6.844 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(Cl)c2)n(CC)c1-c1ccc(Br)cc1 408562611 QXEWFPKEHIGIQJ-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408673461 WWPIEQRGRSPHAV-GOSISDBHSA-N 433.935 5.624 0 40 IKAB O=C1S/C(=C\c2cc(Br)c(Br)o2)C(=O)N1Cc1ccccc1 408955682 YMKWSDBHNICFDA-GHXNOFRVSA-N 443.116 5.041 0 40 IKAB CCc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408973710 PNGXSIZXEUGVMP-SANMLTNESA-N 430.573 5.318 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409077482 DYNXYUVFTNQZMO-ATVHPVEESA-N 435.376 5.986 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1C 409159633 OHXZATAZPUGJHQ-HNNXBMFYSA-N 444.988 5.463 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409167779 JQBUGKSZPACKHI-VCRXTVNUSA-N 444.940 5.192 0 40 IKAB COc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409175332 XGPUDFNNUQENTM-KHJCJPNESA-N 438.571 5.922 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1 409365834 YSCSBPYNNPBXTH-BKUYFWCQSA-N 432.501 5.238 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(Cl)cc3Cl)n2)cc1 409385978 PBXNLUMWILLCOP-UHFFFAOYSA-N 445.293 6.770 0 40 IKAB CCCN1CCC2(CCCCc3ccccc3OCCN(Cc3ccccc3F)C2)CC1 643579278 VVUMMMKRYJYKLB-UHFFFAOYSA-N 438.631 5.925 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872747 JGYAQRXSBYIYIK-GRSYGWAWSA-N 426.528 5.729 0 40 IKAB Cc1cc(C(F)F)nc2sc(-c3nnc(-c4ccccc4Br)o3)c(N)c12 648842 VJFHJQGCXKHKDB-UHFFFAOYSA-N 437.269 5.604 0 40 IKAB CCSc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)s1 998043 ZFGCCTXDZDRNCT-UHFFFAOYSA-N 432.983 5.833 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nc3sc4c(c3c2=O)CCCC4)cc1 2263213 WLPZRSUSVTXCFX-UHFFFAOYSA-N 432.614 6.235 0 40 IKAB Ic1ccc(/C=C/c2ccc(-c3ncc(-c4ccccc4)o3)cc2)o1 2329032 CHOIXAJGJGOESK-DHZHZOJOSA-N 439.252 6.377 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2352289 JGVOLBROTWJFMR-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB Cc1ccc(OCc2nnc(SCc3ccccc3Cl)n2Cc2ccco2)cc1 2445936 LPLVBFSRGZNFQZ-UHFFFAOYSA-N 425.941 5.753 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2CC)cc1 2450649 ZBXWDSYYHJPTIN-UHFFFAOYSA-N 438.597 5.392 0 40 IKAB Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c1Cl 2521603 JPOPEORRMSDUIP-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic CCc1nc2ccccc2c(C(=O)O[C@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 2629992 BNAQBNMLUISWNZ-CQSZACIVSA-N 430.426 5.308 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 3260314 QZRATIYEBFJCAE-UHFFFAOYSA-N 449.963 5.387 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccncc2)cc1 3348083 DWAFSKKPTCYQIN-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB CC(C)c1ccc(-c2ncc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)s2)cc1 3443481 JCKOLKCVUCXQCE-UHFFFAOYSA-N 437.546 6.005 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)s1 3643659 PVDKVADTGCHNJX-IBGZPJMESA-N 431.517 5.000 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 6480847 HQRFZAVRCLDMMK-UHFFFAOYSA-N 428.557 6.908 0 40 IKAB C[C@@]12CC3CC(NCc4cc(Cl)ccc4OCc4ccc(F)cc4)(C1)C[C@](C)(C3)C2 8534510 GYYSFIASTOFWDT-JZHSQQRGSA-N 427.991 6.897 0 40 IKAB COc1cccc(NC(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)c1 8769201 NOMPKIQUCPKOGQ-UHFFFAOYSA-N 438.553 5.817 0 40 IKAB COc1cccc(-c2nc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)no2)c1 8873130 QDGAVCDXBHAEBV-UHFFFAOYSA-N 427.504 5.962 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC 9281022 IETLLEJSUPDFJV-QFQXNSOFSA-N 430.504 5.263 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2cccnc2)cc1 9308927 NMWLMGGUYBUXDG-UHFFFAOYSA-N 443.576 5.492 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 9309284 TVWXGLFHGSZSLU-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 9377298 UYXLDLFAEQMZOK-QFIPXVFZSA-N 427.504 5.169 0 40 IKAB C=Cc1ccc(COc2ccc(-c3ncncc3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 9430451 CZICELXLFNNUCM-UHFFFAOYSA-N 440.499 5.755 0 40 IKAB biogenic Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc3c(c2c1=O)CCCC3 9459675 VKBXBSZHBYOTIV-UHFFFAOYSA-N 446.597 5.516 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)N1c2ccccc2SC[C@@H]1c1ccccc1 9464478 DVPRUXPWKAJELM-HXUWFJFHSA-N 448.617 5.463 0 40 IKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](c2ccc(Cl)cc2)C4)cc1OC 9482464 FQOZWGLULJVWSL-QGZVFWFLSA-N 447.922 5.288 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cs1 9516343 GKKZMBJCQKTOGY-JOCHJYFZSA-N 449.576 5.326 0 40 IKAB C[C@H]1Sc2nnc(Cc3cccc4ccccc34)n2N=C1c1ccc(OC(F)F)cc1 9662413 SMPNZSGRXWMGBF-CQSZACIVSA-N 436.487 5.370 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 10014007 PETBQIADQDWHOZ-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2c(c1)OCCO2 12565116 AKHPDQYJFCSMBV-UHFFFAOYSA-N 443.528 5.246 0 40 IKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(c4ccccc4)N=NN32)cc1 12612156 CQBOKXANAISWSI-HSZRJFAPSA-N 435.491 5.384 0 40 IKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)Nc3ccccc3Br)c(C)c12 12898243 ZLSMDDVYYJRAHZ-UHFFFAOYSA-N 440.293 5.408 0 40 IKAB biogenic Cc1occc1-c1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1 13117286 UFQFSYRNQBMSSK-UHFFFAOYSA-N 429.545 5.359 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1 13497559 VTHVXAJITGRBEX-XMMPIXPASA-N 436.577 5.021 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCc1nn2c(CSc3ccccc3)nnc2s1 13655018 FJCTYKTVKYGSAR-UHFFFAOYSA-N 446.605 5.066 0 40 IKAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1cccc(Cl)c1Cl 14071399 DFQDXXKZWHZLQC-LBPRGKRZSA-N 433.364 5.571 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 14406295 GHUVNRSWAQMITP-UHFFFAOYSA-N 449.019 7.285 0 40 IKAB CCc1ccc(NC(=O)Cn2cc(OC)c(=O)cc2CSc2ccc(Cl)cc2)cc1 15883921 RUWQVCLBSHNLLN-UHFFFAOYSA-N 442.968 5.004 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Br)c1O 15947461 GIFWDTAGWMIFMU-XYZCENFISA-N 437.359 5.169 0 40 IKAB CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1 16688624 TUVWORBJTUYVNM-UHFFFAOYSA-N 427.342 5.112 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccc(F)cc4)ncnc32)c1 16757671 UJYDUOLFQCNIEY-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 16779100 XTPHKPKSMOMRRV-NRFANRHFSA-N 427.356 6.617 0 40 IKAB COc1c(C)cccc1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 17096314 FIBFRFKGGQTZGB-UHFFFAOYSA-N 429.303 5.815 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C)c(I)cc2C)cc1 17101149 CTNFABGXTNTZMT-CYBMUJFWSA-N 437.321 5.439 0 40 IKAB COc1ccc(Br)cc1CN(C)C(=O)c1ccc(C2SCCS2)cc1 17957606 NPDSRZOIGAXWPJ-UHFFFAOYSA-N 438.412 5.209 0 40 IKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1ccc(C(=O)c2ccccc2)cc1 18193692 XKVAIFJKYPOYDL-UHFFFAOYSA-N 437.495 5.514 0 40 IKAB Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 19565477 PPXBKEPZNKWUMH-NRFANRHFSA-N 442.604 5.188 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2C[C@@H](C)O[C@H](C)C2)c1C 19880209 FMZHLCDGPJECMI-QZTZHPFYSA-N 434.605 5.816 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3nn(-c4ccc(C)cc4)nc3c2)cc1Cl 20609918 UDVYHLOMHYMFAS-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578807 IGAUFMRFJMKRTD-LJQANCHMSA-N 428.532 6.850 0 40 IKAB CC(=O)N(c1nnc(Sc2nc(C)nc3scc(-c4cccs4)c23)s1)C1CC1 26142331 JJMJWPXTGNTMLE-UHFFFAOYSA-N 445.620 5.246 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O 31903458 AGNGIISVOPLPSW-NRFANRHFSA-N 433.596 5.663 0 40 IKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)cc1C 32623466 XVOBGAGMCOWPJN-UHFFFAOYSA-N 430.888 5.292 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2C)cc1OCc1ccccc1 33695881 HRANXXZTBZXORI-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)c1 34837769 LRQAQCGRHUCZOA-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB Cc1ccccc1-n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc(O)cc3)nc21 36614358 DEAWEHPDTCUKQQ-UHFFFAOYSA-N 429.423 5.143 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)Cc3csc(-c4ccccc4)n3)cc2s1 40146216 KXVVNFGOFDUAQF-UHFFFAOYSA-N 436.562 5.340 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccncc3)[C@@H]2c2ccc(Br)cc2)cc1 40485932 JEUNNJPVDKFEAC-OAQYLSRUSA-N 435.321 5.205 0 40 IKAB O=C(N[C@H](Cc1c(F)cccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320281 KOFUCJNDHVEKPI-JOCHJYFZSA-N 439.870 5.014 0 40 IKAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccccc3Cl)cc2)CC1 49006012 FQEMYPRQPGMRRS-UHFFFAOYSA-N 436.943 5.089 0 40 IKAB CCO[C@H]1CC(=O)O[C@H](CC[C@H]2[C@@H](C)C=CC3=C[C@H](C)C[C@H](OC(=O)C(C)(C)CC)[C@@H]32)C1 67665405 YVEQEBOMQFZSIT-MLKWKJRISA-N 446.628 5.630 0 40 IKAB in-vitro O=C(Cc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358641 NRDDWJIJROVXOC-IBGZPJMESA-N 425.454 5.111 0 40 IKAB Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3cn(CCCO)c4ccccc34)n2)s1 72375764 ASJBXZPKGJFAQL-HSZRJFAPSA-N 447.608 5.264 0 40 IKAB C[C@H](CC(=O)N1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 89894495 POIVXTZYQARGFW-VVFCZOMOSA-N 445.403 5.552 0 40 IKAB CCCCOc1ccccc1-c1cc(C(=O)Nc2cc(Cl)c(OC)cc2OC)[nH]n1 90610270 DHNSSEZAAJTWPA-UHFFFAOYSA-N 429.904 5.179 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)C(=O)CC[C@]54C)[C@@H]2[C@@H]1OC3 100151077 XGDVSJLOTVQNKY-CAZSBSGTSA-N 440.712 7.446 0 40 IKAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)(C)C)ncc3-c3cc(C)no3)CC2)cn1 100743895 KSAUVOVKUPZMIK-KDURUIRLSA-N 447.583 5.145 0 40 IKAB CC(=O)Nc1ccc([C@@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 101581183 CVWIECJFFWTIFO-DEOSSOPVSA-N 432.479 6.142 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3nc4ccccc4s3)c3ccccc3C2=O)c(C)c1 102607529 BNVWXXHTXFDFQH-XMHGGMMESA-N 425.513 5.553 0 40 IKAB CCn1nc(C)c(/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)c1C 118916023 DGHNSOORNPGMCA-DIIAMWKMSA-N 426.645 5.278 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccncc1 214479500 PFHHHLARFIBTQK-OEAKJJBVSA-N 446.528 5.214 0 40 IKAB Cc1ccccc1CSCCNC(=O)COc1ccc2ccccc2c1Br 218902984 SEROJHUNYWPHOP-UHFFFAOYSA-N 444.394 5.339 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222638494 AFDUWHIQDBFDLX-KVFOXVCZSA-N 432.593 5.395 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)(C)C)cc1 222779756 GSTYYZGLSSVCEX-OAQYLSRUSA-N 430.592 5.413 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222887649 MZFWNMNYYSXRAC-IBGZPJMESA-N 440.603 5.388 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 223025392 PKYDOXIWWWSYOM-PMACEKPBSA-N 445.997 5.098 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223272379 NSMWRNLWYYBUOX-JOCHJYFZSA-N 426.626 5.199 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 223769457 LQSVEVZKZZOACA-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224021116 GMHKGMDEIZFGMX-VWLOTQADSA-N 448.994 5.049 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224191577 SAWOITUPKIWRAH-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cc(C)cc(C)c1C 224610122 ZOWYTLHMXUVPOR-UHFFFAOYSA-N 425.475 6.120 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224872519 IIELSSUOEQGINZ-OAQYLSRUSA-N 446.566 5.291 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1Cl 224950192 KLCXBSQKHGOCRO-LEWJYISDSA-N 426.973 5.303 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225551321 GYHNFYQUDHUANY-CVDCTZTESA-N 429.004 5.303 0 40 IKAB Cc1cc(N(C)C(=O)C(F)(F)F)cc2nc(Cc3ccc(Br)cc3)oc12 226271349 DUJHOLUVAQLTRQ-UHFFFAOYSA-N 427.220 5.015 0 40 IKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363167 QEKKQDMADDRJNE-UHFFFAOYSA-N 438.335 7.697 0 40 IKAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1ccc(C(C)(C)C)cc1 256028037 POGMUSRLNQUMNW-UHFFFAOYSA-N 430.504 5.813 0 40 IKAB O=C1CCC[C@]2(CN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 257234421 GTKZVUQIWLWMCD-RPLLCQBOSA-N 430.523 5.256 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257265696 LZWUXFNLOMPHGU-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@H]2CCCO2)cc1 260912138 FHZDHJOYPDWZAZ-NQHRYMMQSA-N 446.620 5.363 0 40 IKAB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1cccc(F)c1 408602807 AVOJGGYBNGMUPJ-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(Cl)cc3Cl)sc2n1 408626174 ZWXGJNFEHSAAED-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)c(C)c1 408696251 YQEKNDXZJHUMFO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)cc1 408701819 GHEMXIJXIMMMEI-UHFFFAOYSA-N 434.989 5.110 0 40 IKAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccccc3Br)sc2C)c1 408837122 YZZPOMXXWUOVGA-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)ccc1OCc1cccc(Cl)c1 668317 CPFVUUUZGMSTHV-BOPFTXTBSA-N 425.893 5.334 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 884971 ZBGJSRZOQFTNJU-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB CCC(=O)Nc1ccc2nc(Cc3ccccc3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 930686 NNCVBFVEFLOORO-UHFFFAOYSA-N 431.923 5.038 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 990301 GSGGJILHZBHTCZ-UHFFFAOYSA-N 430.674 5.678 0 40 IKAB CCOc1cc([C@@H]2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccccc1Cl 1322395 RXXKBFWBKYKLPJ-VWLOTQADSA-N 432.951 6.034 0 40 IKAB biogenic COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1cccs1 1359485 PCYIRKMXSZPOBP-UHFFFAOYSA-N 432.545 5.058 0 40 IKAB C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381868 JVANRRBBQNGHCR-CQSZACIVSA-N 443.305 5.715 0 40 IKAB COc1cc2nc(SCc3ccc(Cl)cc3Cl)n3nc(C)nc3c2cc1OC 1396386 KFWCNCRUULYQIU-UHFFFAOYSA-N 435.336 5.202 0 40 IKAB O=C(NCc1ccccc1)c1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 1425969 XJMKPEZKBPJDOC-UHFFFAOYSA-N 448.588 5.465 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1Cl 1868333 HQKUTDGCJGLEQK-UHFFFAOYSA-N 426.866 6.000 0 40 IKAB COc1ccc(C(=O)Oc2ccc3cc(-c4nc5ccccc5s4)c(=O)oc3c2)cc1 2282911 DDCSUPGWSQDFHO-UHFFFAOYSA-N 429.453 5.298 0 40 IKAB biogenic O=C(Nc1ncc2c(n1)C[C@H](c1ccc(F)cc1)CC2=O)c1ccc(-c2ccccc2)cc1 2404491 FXLFYUWVGUGKPD-NRFANRHFSA-N 437.474 5.448 0 40 IKAB Cc1nn(Cc2ccc(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)o2)c(C)c1Br 2463947 CKTMCUVQVQQRMC-LBPRGKRZSA-N 446.320 5.024 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3cccc(F)c3)c2cc1OC 2691328 RCXRJKHCXRYABV-UHFFFAOYSA-N 441.506 6.025 0 40 IKAB COc1ccc(-c2c(OC(=O)COc3ccc(Cl)cc3)ccc3oc(=O)sc23)cc1 2696632 MQTULXMJQABYFO-UHFFFAOYSA-N 442.876 5.168 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 3280618 ZGRMMHRZJMLQSK-OAQYLSRUSA-N 441.405 5.445 0 40 IKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1 3770776 VOXHDUBUDZOBBI-UHFFFAOYSA-N 443.397 5.049 0 40 IKAB C[C@@H]1C(=O)O[C@H]2[C@H]1CC[C@@]1(C)Cc3sc(COc4cccc(Cl)c4)nc3[C@@H](C)[C@H]21 3840404 QYZPWIHSBKENRI-ULIMGHSLSA-N 431.985 5.629 0 40 IKAB biogenic,in-vitro COc1ccc([C@@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 8382978 AFRWOSWUNHFAGE-ZEQKJWHPSA-N 428.557 5.338 0 40 IKAB COc1cc(Cl)cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1OC 8397376 BNPRAJKVIMXRLP-UHFFFAOYSA-N 444.962 7.117 0 40 IKAB Nc1c(C(=O)NCc2ccc(C(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12 8451027 WSOOHNIVYHHBIV-UHFFFAOYSA-N 433.480 5.556 0 40 IKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 8752272 VJSKKVOOWXXXJA-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB C[C@@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 8893156 YQTIGOLFDKSZJK-QGZVFWFLSA-N 441.560 5.461 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3c(C)c(C)c(C)c(C)c3C)c3ccccc32)cc1 8927669 PAOGQPRRKFXITB-LJAQVGFWSA-N 441.571 5.545 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cccc(Oc2ccccc2)c1 9354554 KUJMFGOGNBVTJA-UHFFFAOYSA-N 448.547 7.522 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(Cl)cccc3Cl)c2C)cc1 10336045 MSELTKAULIZTGW-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1nc2ccc(NC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)cc2s1 10784367 MFMWEMJCTIWXIQ-UHFFFAOYSA-N 429.545 5.249 0 40 IKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 11667367 PTOJDEXXHJQTNZ-KRWDZBQOSA-N 437.927 5.633 0 40 IKAB Cc1nc(SCc2c(Cl)ccc(Cl)c2Cl)[nH]c(=O)c1Cc1ccccc1 11905603 UZUGBIQTKTYJDY-UHFFFAOYSA-N 425.768 5.922 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12195789 VCWMZPNFXLNGTM-VWNXMTODSA-N 448.906 5.378 0 40 IKAB COc1cc(/C=C/c2cc(C(=O)O)c3ccccc3n2)ccc1OCc1ccccc1Cl 12529508 KUQUXKORUMWZMZ-ZRDIBKRKSA-N 445.902 6.344 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 12619005 DMKKRJWQNGVGJN-UHFFFAOYSA-N 429.545 5.212 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)[C@H](c1ccc(Cl)cc1)C(C)C 12686431 AIJWWTCXZQUQBD-QFIPXVFZSA-N 449.016 5.201 0 40 IKAB CC1CCN(Cc2csc(NC(=O)c3ccc(SCc4cscn4)cc3)n2)CC1 12753698 ANJHABYPWKZWNS-UHFFFAOYSA-N 444.651 5.376 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)cc1 12905201 DVSOZNFGFFPICE-UHFFFAOYSA-N 429.303 5.463 0 40 IKAB O=C(Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1)c1ccc(N2C(=O)CCC2=O)cc1 12937912 QHHIBEHSRXOLPV-UHFFFAOYSA-N 438.405 5.278 0 40 IKAB CCCc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c(C)c(C)sc2n1 13027932 OEUVYSLHQCAIHN-UHFFFAOYSA-N 439.528 6.010 0 40 IKAB Cc1ccc(-n2nnnc2SCc2cc(F)cc3c2O[C@@H](c2ccsc2)OC3)cc1 13109735 DQHMDFLJJOEKEC-FQEVSTJZSA-N 440.525 5.071 0 40 IKAB C[C@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 13591323 GTNLCMPDTPMAER-DOUMQJFESA-N 432.475 5.615 0 40 IKAB O=C(Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 13785741 ZEVNTDUUQLSHFN-XCZPVHLTSA-N 446.506 6.148 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCN(C(=O)c3ccc(C)cc3)CC2)cc1 14291227 KDWWFCGTYRYPGH-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB COc1ccc(-n2c(S[C@@H](C)C(=O)c3cc(C)c(C)cc3C)nc3ccccc32)cc1 14357169 YZKUMUHQWMSCDF-IBGZPJMESA-N 430.573 6.323 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1ccc2ccccc2c1 15867199 NJEPMXGMEWTLLY-UHFFFAOYSA-N 430.489 5.228 0 40 IKAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2cccc(C(F)(F)F)c2)o1 15881573 AIYDIOVRYSUTNP-UHFFFAOYSA-N 442.441 5.547 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Br 16451278 NDMWZWKZYYCFSS-FQEVSTJZSA-N 429.697 5.884 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccn2)nc2ccccc12 16740446 AWINRILWUMJLJX-UHFFFAOYSA-N 427.813 6.221 0 40 IKAB Cc1ccc(C(=O)Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3)c2=S)cc1C 16769785 GOGULYLVHRQILG-UHFFFAOYSA-N 433.964 6.223 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(-c3ccccc3)csc2c1=O 16845019 AVPJVRSIUQRQHI-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 17096586 LKPDAUVRBALKMX-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccccn2)c1 17121907 VHPLQHRVGBZFRP-UHFFFAOYSA-N 444.604 5.630 0 40 IKAB CC(C)Oc1cccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 19450840 QEBJBSLJEHZYCP-VWLOTQADSA-N 449.620 5.314 0 40 IKAB Cc1nn(-c2ccc(C(=O)O)cc2)c2nc(-c3cccc4ccccc34)cc(C(F)F)c12 20615361 DQNOLNZQMIALHP-UHFFFAOYSA-N 429.426 6.185 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1Cl 22275077 UTXAKFVSIAQHAS-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 24777512 WPGAHAPEZQARLR-INIZCTEOSA-N 442.606 5.170 0 40 IKAB Cc1ccc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c(C)c1 28208692 LNLBJCUOHBQJSN-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 30851685 DMSLWMBINMCDAS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 32091463 NMPORSDIODYOGW-INIZCTEOSA-N 434.805 5.394 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 33653076 CNJNVUAFHBDCIU-NRFANRHFSA-N 447.343 5.613 0 40 IKAB CCc1cccc(C)c1-n1c(C)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C 34771815 QJDRDXLLZKVTJL-FYJGNVAPSA-N 431.492 5.060 0 40 IKAB Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 35031325 YAWXGPAFXBXPKZ-YCEFEEMOSA-N 449.850 6.599 0 40 IKAB COc1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccccc1Cl 35039578 CBYCTFOKLFCTMR-XDHOZWIPSA-N 448.009 5.927 0 40 IKAB COc1cc(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)c(OC)cc1Cl 36790572 FTHUSVPACKFBRG-UHFFFAOYSA-N 434.970 5.251 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1cccs1)Nc1cc(F)ccc1F 46022491 LLGUAHKFARFBRO-UHFFFAOYSA-N 433.549 5.650 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc3sc(C(=O)NC4CCCCC4)cc3c2)cc1 46058591 MEGZIIMLJWXMGF-UHFFFAOYSA-N 442.606 5.097 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(NC3CCOCC3)cc2)cc1OC 58312184 KURUWOQDVYBZOA-RUDMXATFSA-N 444.959 5.380 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c(C)c1 67217181 DWLKIABCLBCAHA-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@@H](C)CC)cc1 67239164 YQYQMTCMHXNORV-INIZCTEOSA-N 426.586 5.077 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2cccc(Br)c2)cc1 95116826 CGJJEGUXFMMKRQ-QFIPXVFZSA-N 435.321 5.449 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)c1C 95349536 IPQPPDRMLKGZOT-UHFFFAOYSA-N 436.375 5.863 0 40 IKAB CC(C)c1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 219266319 WNKMEQHNAYGWNY-UHFFFAOYSA-N 433.617 6.344 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)CC(C)(C)O2 219774373 REJHTELRZXOIOU-JOCHJYFZSA-N 435.951 6.260 0 40 IKAB Cc1ccccc1CN(C(=O)CCCOc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222698154 UKZDNSXCUKVGAB-IBGZPJMESA-N 445.003 5.139 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 222705984 JRSPQRWYQMMQSH-ORYQWCPZSA-N 442.510 5.871 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 222974869 DRMULMDHUNGZSI-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 223215090 LOOIFGWQORLVSX-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223367859 FKBCHIFKFGDEQE-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223795647 AUOMCKSSKLZXLH-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224049904 NDVYXTXWWKUBDS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 224444270 UPCRRKBBOINMPL-DHIUTWEWSA-N 447.560 6.142 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(C(C)(C)C)cc1 224526484 OLQASTNVVPVNHX-UHFFFAOYSA-N 449.616 6.936 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224704493 SIQUJUCEPLGJIX-JOCHJYFZSA-N 447.044 5.153 0 40 IKAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 224804428 ADENJVCRJGGLHB-UHFFFAOYSA-N 434.757 5.107 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1 224893897 NQIILUXVWSFDIP-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225168705 CQPKFVBSDQWFHI-OALUTQOASA-N 445.003 5.174 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccccc1 225189178 XLEABDXPFKNQNY-HSZRJFAPSA-N 442.600 5.174 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225248830 LIHWCZIOLZQRHU-DEOSSOPVSA-N 443.031 5.730 0 40 IKAB Cc1ccc(C2(NC(=S)Nc3ccc(CSc4ccccc4)cc3)CCCC2)cc1 225855541 RIAYQCOHRWKBKB-UHFFFAOYSA-N 432.658 7.043 0 40 IKAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 244975124 ICJLCUDXOOLXTF-JOCHJYFZSA-N 432.010 5.327 0 40 IKAB CCn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 257237602 HHFSUZPWDDYIEG-MHZLTWQESA-N 443.566 6.132 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3ccncc23)CC1 257282886 OVRPANCSEOTKEB-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H](Cc2ccc3ccncc3c2)CC1 257302075 SBIUQHSGHQVCAP-FQEVSTJZSA-N 437.547 5.253 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257320043 VVCLOYZANKRMCF-LJQANCHMSA-N 429.973 5.288 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1 408613852 WNGCFWFOHLVGND-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cccc(Cl)c2C)c1 408696684 DMQVTZSTTWHRRJ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408703533 SFGJEELRXMOZMM-UHFFFAOYSA-N 434.989 5.280 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1 409106935 QBBIACRYHWDWOU-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB COc1cc(C[C@@H]2SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 409162065 QUYFYNLMCLYJIY-QHCPKHFHSA-N 433.529 5.081 0 40 IKAB CC(=O)c1cccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)c1 409176339 KXXKYZPHVCGGMJ-UHFFFAOYSA-N 425.278 5.450 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409337979 ARCLMCMBBPVCIM-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB NC(=O)c1cccc(NC(=O)c2cc(C(F)(F)F)ccc2Sc2cccc(F)c2)c1 544401432 GWGYYPPARSOQMG-UHFFFAOYSA-N 434.414 5.347 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(C)cc1C 645615 ADWRPANMBLPUMY-UHFFFAOYSA-N 427.522 5.083 0 40 IKAB O=C(c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 827011 MPOFHNPLTNLFTC-UHFFFAOYSA-N 428.439 5.070 0 40 IKAB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 1060690 LGLNINDXYLXPNZ-XMMPIXPASA-N 430.891 5.338 0 40 IKAB biogenic CCc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 1336247 BUOVPGADTFQHSB-UHFFFAOYSA-N 439.610 5.372 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1352889 JSNFRWMNUPUJJK-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB COc1cccc2c1OCC(C(=O)Nc1c(Cl)cc(OC(F)(F)F)cc1Cl)=C2 1391461 VKWVOXUURGPHJG-UHFFFAOYSA-N 434.197 5.315 0 40 IKAB CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(Cl)cccc12 1595094 HVWLSUOIMGPNOV-DEOSSOPVSA-N 445.434 7.144 0 40 IKAB CCCOC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1770258 NZSWONLZXVZPIE-UHFFFAOYSA-N 440.801 5.464 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1cccc(Cl)c1 1772401 AWNHNWDIYCNVFY-UHFFFAOYSA-N 442.854 6.611 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1ccc([C@H](C)CC)cc1 1854315 DFNJCFORSJUVGS-CQSZACIVSA-N 437.321 5.385 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccc(C)cc3)cc12 1904790 LXLVCFRTWWZATB-UHFFFAOYSA-N 430.456 5.813 0 40 IKAB biogenic CC(C)(c1ccccc1)c1ccc(OCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1 1916449 WSOMBKVJNFYRSF-UHFFFAOYSA-N 446.547 6.293 0 40 IKAB Cc1cc(Br)cc(Br)c1OC(=O)c1ccc(-c2ccccc2)cc1 2134610 XQHUOKYXRAPACW-UHFFFAOYSA-N 446.138 6.406 0 40 IKAB CC(C)CCSc1nc(SCc2ccccc2)nc2sc3c(c12)CC(C)(C)OC3 2207365 HLFZLQXQUWZMJX-UHFFFAOYSA-N 444.691 6.973 0 40 IKAB CN(C(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3)c1ccccc1 2252529 ITEYQZFFRYMWCM-UHFFFAOYSA-N 445.613 5.992 0 40 IKAB CCCCOc1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2255457 RZCHSGVMIXUCOP-UHFFFAOYSA-N 428.923 6.468 0 40 IKAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)C1 3043890 RYCFVDGSXFRWEU-IRXDYDNUSA-N 425.598 5.068 0 40 IKAB Cc1cc(Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)n(-c2ccccc2)n1 3289943 NEZJVDWFEKODCI-UHFFFAOYSA-N 426.911 6.265 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CN(CC)CC 3296315 JVNDRLFIMWJSPV-UHFFFAOYSA-N 436.577 5.539 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)c2ccccc2)c1 3310293 DVWSRYGRKWIQHQ-SFHVURJKSA-N 448.415 6.562 0 40 IKAB CN(CC(=O)Nc1ccccc1C(=O)c1ccccc1)Cc1ccc(C(F)(F)F)cc1 3389286 YNOHHYQXBXIXNY-UHFFFAOYSA-N 426.438 5.007 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 6232710 LNTSHRPDUYJBSW-RTXFEEFZSA-N 433.565 5.944 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3nnc(-c4ccccc4)o3)c2c1 6844292 BPKJNOWBDHJGCJ-UHFFFAOYSA-N 442.519 6.341 0 40 IKAB Cc1cc(C)cc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c1 8441075 NGORUCBOMLKXTC-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB COc1ccc(CCNCc2c(OCc3ccccc3)ccc3ccccc23)cc1OC 8493571 ZZPWCPLJJOTFJL-UHFFFAOYSA-N 427.544 5.768 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 8657322 USWNWCSFKVIISV-OAQYLSRUSA-N 425.532 5.231 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8753171 SEEUMVOZCGARPC-LJQANCHMSA-N 429.495 5.083 0 40 IKAB Cc1[nH]nc(-c2ccc(OCc3ccc(Br)cc3)cc2O)c1-c1ccccc1 9128617 MMDOLIXVZSXIOX-UHFFFAOYSA-N 435.321 6.099 0 40 IKAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccccc3Cl)oc12 9129647 YKZAGTAALJEIDK-UHFFFAOYSA-N 433.847 5.403 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1OC 9129685 ADDWAMILOWEGLG-UHFFFAOYSA-N 448.906 5.766 0 40 IKAB biogenic Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccc(Cl)cc2)n(C[C@@H]2CCCO2)c1C 9130142 AKCQLZOOBHWJGU-IBGZPJMESA-N 448.954 5.733 0 40 IKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 9236566 JZFPWTTWLROXSR-WOJGMQOQSA-N 448.338 5.093 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)c1 9250144 BKUIDWZRNDREPP-LJQANCHMSA-N 433.577 5.229 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccccc3c2=O)cc1 9284042 NBVMPBLXWHZIHB-UHFFFAOYSA-N 443.572 5.101 0 40 IKAB O=C(CCC(=O)NC12CC3CC(CC(C3)C1)C2)Nc1ccc(OCc2ccccc2)cc1 9425517 AKJGNQIAYVBXPK-UHFFFAOYSA-N 432.564 5.069 0 40 IKAB O=C(OCc1nc2ccccc2s1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 9540433 MFZHJOLADUKYMQ-UHFFFAOYSA-N 428.922 5.621 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 9581466 HOEKCKWYBBSTNW-AWEZNQCLSA-N 434.879 5.240 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@H](C)C(=O)c1ccc(Br)cc1 9663178 HOVGPGVAAGJBJT-CQSZACIVSA-N 430.371 5.015 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C)cs1)c1c(C)cc(C)cc1Cl 9713489 QSDQHCCMARRGBV-UHFFFAOYSA-N 448.017 5.396 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9767258 DANLTXLXULJRFO-HSZRJFAPSA-N 429.516 5.257 0 40 IKAB Brc1ccc(NC2CCN(Cc3cccc(Oc4ccccc4)c3)CC2)cc1 10060503 SHSBCBBPHZFLGL-UHFFFAOYSA-N 437.381 6.318 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120127 UMMRHZHUMSKBKW-UHFFFAOYSA-N 440.543 6.484 0 40 IKAB Cc1c(NS(C)(=O)=O)cccc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 10314585 XKYXWQKIQPCYRS-UHFFFAOYSA-N 430.913 5.065 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10325387 DRAXYVMENSPEAR-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB CC1(C)CC(=O)c2sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)nc2C1 11024123 OSTHVCRPWWSHSI-UHFFFAOYSA-N 439.587 5.889 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)c1 11027608 XGELWLMWFXBUSC-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic O=C(CCSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1F 12106157 FPDSPRWQKPEASR-UHFFFAOYSA-N 432.524 5.118 0 40 IKAB CC(C)c1cc(C(C)C)c(Sc2c(-c3ccccc3)nc3ncccn23)c(C(C)C)c1 12340406 XEDHNJRQIAAGCE-UHFFFAOYSA-N 429.633 7.918 0 40 IKAB Cc1cc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c(C)n1C[C@@H]1CCCO1 13041275 CRXBFUTZIRKBIV-SFHVURJKSA-N 445.972 5.078 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1 13042171 XFTDLFLJAPSARZ-GHRIWEEISA-N 437.952 5.908 0 40 IKAB Cc1ccc(NC(=O)CN(C)c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 13133880 KINXDVKVIWJIBM-UHFFFAOYSA-N 443.576 5.015 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)ccc1O 13518317 PIJNRJUMKPFUIJ-IBGZPJMESA-N 445.906 5.381 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cc(C)ccc2C)cc1 13660460 DCSUGPTWOHBWAY-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1OCc1ccccc1 13687117 NTAAFLZFOUSSCN-UHFFFAOYSA-N 425.553 6.810 0 40 IKAB Brc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 13778044 JYWZLYAXJZWTRI-AUSIDOKSSA-N 449.304 5.420 0 40 IKAB CCN(CC)S(=O)(=O)c1cc(C)c(C)c(NC(=O)c2cc(F)c(Cl)cc2Cl)c1 14637665 ZIKMMBJZZBBYNP-UHFFFAOYSA-N 447.359 5.032 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3cn(C(C)C)c4ccccc34)C2=O)cc1 16293043 CBICWRWLDBJFHZ-MTJSOVHGSA-N 433.533 5.206 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2C)c2cccc(C)c2)cc1 16309893 DWXPMELHQSXIDX-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Oc1nc(/C(Cl)=C/c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)nc2ccccc12 16441411 MVUZHZWMDXZUPW-HOFZKYPUSA-N 448.750 5.944 0 40 IKAB CCOc1ccccc1N(CC(=O)c1ccc(C2CCCCC2)cc1)C1=NCCCS1 16768833 TXAKMJYICBPXST-UHFFFAOYSA-N 436.621 6.315 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)N(CCc1c[nH]c2ccc(F)cc12)Cc1ccccc1 16957282 ZUISKEIKCHYWOI-UHFFFAOYSA-N 442.943 5.394 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 17085967 CMQOLSZFFMRCEE-DYZYQPBXSA-N 435.387 5.221 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 17098865 LADMTWGXDTYQDE-QGZVFWFLSA-N 434.502 6.227 0 40 IKAB CC(C)CC[C@H](COC(=O)c1ccccc1C(=O)OC[C@H](CCC(C)C)C(C)C)C(C)C 17147810 JCJPBWVRHVLSJW-PSWAGMNNSA-N 446.672 7.417 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 17265442 GGVLFDRIUMBEKG-UPVQGACJSA-N 449.348 6.008 0 40 IKAB COc1cc(/C=C/C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)ccc1OC(F)F 18891094 ULFNBRKYYMPQEM-DHZHZOJOSA-N 445.462 5.010 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 19648263 WCGSPBOPMQRATJ-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB COc1ccc(OCCc2sc([C@@]3(O)CCCN(C4CCCCC4)CC3)nc2C)cc1 19705422 RTUBZMWOSXXHED-RUZDIDTESA-N 444.641 5.088 0 40 IKAB CC(=O)Nc1ccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)cc1 19929236 ITAZIKFQYLCBGX-UHFFFAOYSA-N 449.536 5.335 0 40 IKAB COc1ccccc1CNC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(Cl)cc1 21361776 XTRXTLYCTJTPIF-UHFFFAOYSA-N 433.895 5.012 0 40 IKAB CC(C)(C)c1cc([C@@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(C(C)(C)C)c1O 21674778 UGSWVWKLNBPOND-JOCHJYFZSA-N 449.557 6.428 0 40 IKAB Cc1c(Cl)cccc1Nc1nnc(SCC(=O)N(C)Cc2cccs2)s1 21737519 YXONQKMRUCRMFN-UHFFFAOYSA-N 425.004 5.056 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(Cl)c2)c2ccccn2)c1C 26770917 YGYZFAQLOKICBO-HSZRJFAPSA-N 447.991 6.867 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2F)cc1 27664492 YIWQAGWCOCDOJW-HNNXBMFYSA-N 448.450 5.239 0 40 IKAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc1 32721721 RLOZTFCOFNRVBP-UHFFFAOYSA-N 439.393 5.182 0 40 IKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1[nH]c2ccccc2c1Br 32932587 RFBQJNNGAHQKGM-GOSISDBHSA-N 429.314 5.650 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 39723891 VRIDJUHVZUDRGL-UHFFFAOYSA-N 426.350 5.398 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39761252 WSDDDHOTEZEEHP-UHFFFAOYSA-N 446.950 5.287 0 40 IKAB COc1ccc(NC(=O)COc2ccc(Cl)c3cccnc23)cc1OC1CCCC1 40139450 ZIWOURIUWDAAJS-UHFFFAOYSA-N 426.900 5.236 0 40 IKAB CC(C)c1cc(C(=O)N(C)[C@H](c2ccccc2)c2ccccn2)c2cnn(C(C)C)c2n1 48261449 TXGPICMHWKKWID-XMMPIXPASA-N 427.552 5.392 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3ccc(C)c(C)c3)c(=O)c3ccccc23)n1 67245283 XDMCCZIBPUDOQG-UHFFFAOYSA-N 437.499 5.723 0 40 IKAB Nc1c(Br)cc2nc(-c3ccc(Br)cc3)oc2c1Br 70461355 UDQXXYIZQVHQAQ-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB CCc1nccn1CCC(=O)N1CCC[C@@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 72396803 SBYZYISQQZSAKO-OAQYLSRUSA-N 441.579 5.094 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)[C@@H]1COc2ccccc2O1 78875582 PDQYQXNUTCIEEO-QHCPKHFHSA-N 445.494 5.510 0 40 IKAB Cc1noc(-c2ccccc2)c1NC(=O)c1cc(-c2cccs2)nc2c1c(C)nn2C 95939694 ZHZZGTZRHDJFGK-UHFFFAOYSA-N 429.505 5.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 107622765 SIFHOGQTRIIDEP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccccc1Cl 214113836 IGJGOKRJRVAFMK-HYARGMPZSA-N 435.932 6.156 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219471335 NWNKDRLORCGMCE-QHCPKHFHSA-N 430.548 5.492 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222979865 IMZDJHMXYAYXHI-RPBOFIJWSA-N 426.589 5.798 0 40 IKAB CC1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)CC1 223983433 YXOPKMOWPGTOAK-UHFFFAOYSA-N 426.605 5.255 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224034274 UNFVCYFBVBKTNY-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1c1ccccc1 224158300 MVMAJNLYHKQXGQ-DHIUTWEWSA-N 430.964 5.703 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccccc1C(C)(C)C 224508848 HJMYFSWCGKCLBS-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 224525338 KVTOZNXTFSYPFY-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 224533434 ATAXHLCULGQMKK-VGOFMYFVSA-N 426.925 5.101 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224760072 LJVBIEXPEGVBFJ-SFHVURJKSA-N 445.028 5.298 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225095796 IZMOAQIRQNGCTA-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 225206316 HGOFNUGAFBPCJH-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2ccccc12 225767483 CGIVBDCMOPMROL-UHFFFAOYSA-N 442.386 7.386 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@]32C)C1 256947249 NSCDXTUACLUGIN-KPBUITSXSA-N 442.728 8.350 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)O2 257240110 HSCMCGWUOLWHSE-HHHXNRCGSA-N 426.516 5.375 0 40 IKAB CNC(=O)C1(Cc2ccc(-c3cccc(C)c3)cc2)CCN(C(=O)C2CCCCC2)CC1 257262330 LKYXDRPWYNQZKH-UHFFFAOYSA-N 432.608 5.140 0 40 IKAB O=C(O)c1sc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257296241 RBWDUYYAOWVCHP-OAQYLSRUSA-N 440.996 6.007 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Br)c(Cl)c1 408666980 IMOGTUNPMJICQA-UHFFFAOYSA-N 437.504 5.205 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)cc1-c1ccc(-c2ccccc2)cc1 408724197 HOVKPBLBPBADQO-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)cc1 409207788 ZZGTUNTUAACWTB-RQZHXJHFSA-N 428.557 5.787 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)cc1 409261999 GTKDJSAJCDGXFJ-UHFFFAOYSA-N 436.577 5.172 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 409377336 GNJWWSCBOVPXFM-JFENUBAZSA-N 449.931 5.902 0 40 IKAB O=C(CN1CCN(c2ccccc2)CC1)N1c2ccccc2Sc2ccc(Cl)cc21 575442805 BNJRBTMGXNZSKF-UHFFFAOYSA-N 435.980 5.292 0 40 IKAB CC(C)[C@@H]1C[C@H](c2ccccc2)CO[C@H]1c1ccc(OCC(=O)NC2CCCCCC2)cc1 585292945 QCARHIFUFHGOQE-KMDNEMHUSA-N 449.635 6.422 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2[C@H](C)CCCC(C)C 2049238411 QGGRDHGCNNAWIE-MJNDFDHESA-N 444.700 7.218 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccncc2)c1 664341 IGKPCRIUIBKNNK-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2ccco2)c1 1265072 MQGPQMPNMYGKCT-BQYQJAHWSA-N 431.275 5.499 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)Nc1ccccc1OC 1324486 BROAVPFBPYAABV-UHFFFAOYSA-N 449.507 5.389 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1OC 1447702 NIQWGEYMJKDFKT-UHFFFAOYSA-N 436.515 6.157 0 40 IKAB CCn1c2ccccc2c2cc(-n3c(-c4ccccc4)nc4nc5ccccc5nc43)ccc21 2253645 RJGPAMAVKTUISQ-UHFFFAOYSA-N 439.522 6.764 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)NCc3ccc(Cl)cc3)c3nc4ccccc4nc32)c1 2258131 YFEGKYDUESXJBN-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4cccc(Br)c4)sc3nc2C1 2299175 OFRHOLFJGTUGKT-UHFFFAOYSA-N 429.339 5.027 0 40 IKAB CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2367361 OHVOKNBKCDXWNN-UHFFFAOYSA-N 445.538 5.699 0 40 IKAB CCCc1nc2sc3c(NCCN(CC)CC)nc(SC)nc3c2c2c1CCC2 2418831 NTXKGOVYMUVPIY-UHFFFAOYSA-N 429.659 5.156 0 40 IKAB COc1ccc2c(C)cc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)nc2c1 2625352 HNEAPVKJJDNDQW-UHFFFAOYSA-N 441.862 5.350 0 40 IKAB COc1cc(NC(=O)c2ccc(F)cc2Cl)c(OC)cc1NC(=O)c1ccccc1 2640714 QXBWFPNDDRDRJO-UHFFFAOYSA-N 428.847 5.001 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1csc2ccccc12 2768611 MJBPVEPHHVXULF-UHFFFAOYSA-N 441.961 6.712 0 40 IKAB Clc1cccc(Cc2nc(OCc3c(Cl)cccc3Cl)c3ccccc3n2)c1 3050971 BHTYAGBVKRRAOQ-UHFFFAOYSA-N 429.734 6.760 0 40 IKAB CC[C@H](C)n1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 3308150 XAMOAPJNSOAULI-AWEZNQCLSA-N 427.595 5.039 0 40 IKAB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@H](C)O[C@H](C)C1 4028712 LSBXOTFRMIJYQL-LUPWRHKPSA-N 435.649 5.056 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 4811568 RJJBNZOLYQZPJQ-WCGRQVSMSA-N 429.541 5.825 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N(CC(C)C)CC(C)C)n1-c1ccccc1 5883217 IJLUAYKUVKJNBO-UHFFFAOYSA-N 426.586 5.068 0 40 IKAB COc1cc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c(OC)cc1Br 8705146 PGRTWLREFWVIGN-UHFFFAOYSA-N 446.326 5.290 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 8765207 YCRHJSMMXCBOEV-INIZCTEOSA-N 442.515 5.317 0 40 IKAB biogenic c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 8766730 GKCBHARQLWOOME-OAQYLSRUSA-N 432.508 6.292 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)sc2c1 8816112 ZEHVOUWRQKVBJK-KRWDZBQOSA-N 445.519 5.402 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nc4ccccc4c(=O)n3Cc3ccco3)c2cc1C 9010901 BIZPGZLVXMPOMO-UHFFFAOYSA-N 444.512 5.053 0 40 IKAB O=c1c(-c2ccc(Cl)cc2)c(NS(=O)(=O)c2ccc(F)cc2)oc2ccccc12 9060583 PWDVCUIWETZLHS-UHFFFAOYSA-N 429.856 5.053 0 40 IKAB COc1cc(CN(C)CC(=O)Nc2ccccc2-c2ccccc2)ccc1OC(F)F 9124916 UWFSZMJYOBIMPF-UHFFFAOYSA-N 426.463 5.034 0 40 IKAB Cn1c(NC(=O)c2cccs2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9327906 AVJSRIJUEKBQEK-UHFFFAOYSA-N 428.435 5.538 0 40 IKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(C(=O)c2ccccc2)cc1 9366862 KIJNCQCDKQXFBA-UHFFFAOYSA-N 449.532 5.453 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)n(C)c2ccccc12 9426298 ZTKPNWSSNFFBND-VWLOTQADSA-N 449.381 7.107 0 40 IKAB C[C@H]1Oc2ccc(NC(=O)c3sc(-c4ccccc4)nc3-c3ccccc3)cc2NC1=O 9639955 FJODPEQYKBGXLQ-OAHLLOKOSA-N 441.512 5.449 0 40 IKAB COc1cc(C(C)=O)ccc1OCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 9646637 PFUYRWUCHUJGEQ-OAQYLSRUSA-N 433.529 5.157 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c2nc(-c3cccs3)cc(C(F)(F)F)c12 9933411 NVGBLOMBGOPVKV-UHFFFAOYSA-N 438.272 6.239 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1F 11757750 AFUNQKOZKIKBHB-UHFFFAOYSA-N 429.904 5.188 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)on1 12159094 HUNYFSBONCGEPW-UHFFFAOYSA-N 444.510 5.228 0 40 IKAB COc1ccc2[nH]cc(CCNC(=O)Cc3csc(-c4ccc(C(C)C)cc4)n3)c2c1 12296980 RSQFEOZNIOIZPW-UHFFFAOYSA-N 433.577 5.325 0 40 IKAB biogenic O=C(O)c1ccoc1CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 12561280 ZLUYOEQFKUHFRA-UHFFFAOYSA-N 425.491 5.658 0 40 IKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2nc3ccccc3s2)CC1 12568264 AKKGOOLUKKDYEA-UHFFFAOYSA-N 437.952 5.168 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCN(Cc2nc3ccccc3s2)CC1 12691833 QSONJXIVYWRQRY-UHFFFAOYSA-N 441.600 5.163 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@H]21 12884986 WKRYGEUBDXPPFD-KOSHJBKYSA-N 444.918 5.529 0 40 IKAB biogenic O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc(OC(F)F)cc2)N1 13305942 GWHTZLLNCYPMNP-NRFANRHFSA-N 449.482 5.820 0 40 IKAB COc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 13364530 SYYRCZAMNQXHAN-FQEVSTJZSA-N 427.838 5.878 0 40 IKAB COc1ccc(C2=COC3(CCN(C(=O)CCn4c(C)c(C)c5ccccc54)CC3)C2)cc1 13566345 PVCKYBUTRVLEDT-UHFFFAOYSA-N 444.575 5.479 0 40 IKAB COc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1OC 13617392 RJCVIQJLSMYNLJ-UHFFFAOYSA-N 425.315 6.735 0 40 IKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@H]1N(c1ccccc1)c1ccccc1 13893412 NTUUEGNLHWOMJX-RNWIMVQKSA-N 432.567 7.001 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCc3cc(C)on3)cc2)cc1 14083532 VKZSDCBSSOISDA-UHFFFAOYSA-N 430.529 6.628 0 40 IKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)cc1 15729502 FUPZADCNBIOSLD-UHFFFAOYSA-N 425.528 6.830 0 40 IKAB biogenic O=C(OCc1c(Cl)cccc1Cl)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 16399250 UFXZKLYTAORNIR-IYBDPMFKSA-N 432.303 5.030 0 40 IKAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F 16688753 JIAPHVHHNMOCNG-UHFFFAOYSA-N 443.902 5.475 0 40 IKAB CCCOC(=O)c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17095196 QIWFAVVZZPBHPK-UHFFFAOYSA-N 426.925 5.187 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1C 17096941 VPNIOWBCVWYGHP-UHFFFAOYSA-N 430.504 6.196 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)cc(Cl)c3OC)n2)cc1OC 17103080 SQLIARKNUBYKMA-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB Cc1nn(-c2cc(C(F)(F)F)ccc2Cl)c2nc(C(Cl)(Cl)Cl)nc(O)c12 18189235 WIOVYWVWBZUWHW-UHFFFAOYSA-N 446.043 5.328 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1 19236871 BWCLOGGRAHEESR-RUZDIDTESA-N 435.518 5.052 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2cn(C)nc2C)n1 19690872 CMTLYJZBWDIATH-HSZRJFAPSA-N 428.502 5.379 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)(C)C)nn4C)CC3)c2)cc1 19691083 QNSOLNTUOHDFHC-UHFFFAOYSA-N 446.595 5.116 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cn4cccc(C)c4n3)CC2)n1 19691199 RPBVZZPHOKYGRE-UHFFFAOYSA-N 428.511 5.172 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 20644722 YQIISFFBIQTPSV-KMFTYDHNSA-N 449.620 5.003 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nccn3Cc3ccccc3)cs2)cc1 21736232 MGWJXVQMHOGWJA-UHFFFAOYSA-N 434.590 5.170 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1C(=O)N1CCCCCC1 26120324 WBHQAUBOMOHVPK-UHFFFAOYSA-N 446.638 5.151 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(F)cc3c2C)c2c[nH]c3ccccc23)cc1 27989023 NDNRKELFJPAHKD-JOCHJYFZSA-N 442.490 5.932 0 40 IKAB O=C1CN(C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047988 RIIQKQSAPMBENG-NRFANRHFSA-N 429.278 5.316 0 40 IKAB O=C(NC1CC1)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 29603869 OXLSCVFEWYFACZ-UHFFFAOYSA-N 441.462 5.292 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@H]1c1ccc(Br)cc1 33541838 GSMHKBYHQMMORD-IBGZPJMESA-N 445.382 5.567 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 35078217 YBVNLEYXWMOFPQ-UHFFFAOYSA-N 446.016 5.492 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 44848711 KORTVHSEVNVCLT-QGZVFWFLSA-N 425.981 6.522 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)cc1C 44856676 YOQXJGRMEPEVPE-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 57270657 LGOMQQJSAOGDOM-PGRDOPGGSA-N 427.548 5.308 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(Cn2cc(C(F)(F)F)cc(Cl)c2=S)CC1 57945180 MSGDKAILWVKWFA-UHFFFAOYSA-N 436.330 5.631 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccc(Cl)cc1)C3 57996617 CTEDNZFMPVNCAO-UHFFFAOYSA-N 431.919 5.698 0 40 IKAB biogenic COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1Cl 59409169 HGJZQTXCHRODDF-JOCHJYFZSA-N 445.371 6.278 0 40 IKAB CC(C)n1c([C@H]2CCCN(C(=O)Nc3nnc(-c4ccccc4)s3)C2)nc2ccccc21 72305829 IWAYGRYDTWKRPZ-SFHVURJKSA-N 446.580 5.547 0 40 IKAB CCN(CCC1CCN(C(=O)Nc2ccc(OC3CCOCC3)c(C)c2)CC1)CC(C)C 95459687 AUDBGPQUSOFHER-UHFFFAOYSA-N 445.648 5.165 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C1(c2cccs2)CCCC1 96119620 FBMCZXWKPVCVCD-UHFFFAOYSA-N 430.533 5.234 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@@H](c3ccco3)C2=C(O)C1 100425070 RVIPYCANLASKAA-DEOSSOPVSA-N 443.572 6.943 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@]12C[C@@H]3CC[C@]1(C)[C@]3(C)CO2 100782300 MNWDEVCUPZTABE-IAHMWCFXSA-N 425.550 5.126 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@H]2[C@H]1OC3 101487120 BZNIIOGSANMIET-GWRJOWIGSA-N 442.728 7.238 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(Cc3ccccc3)[C@H](c3ccccc3Cl)C2=C(O)C1 102881346 SXEPHGIEHCKEDO-HHHXNRCGSA-N 442.990 7.806 0 40 IKAB C[C@H]1C[C@@H](C)[C@@H]2CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C 105024129 APXOQDSIAUQKAU-JPEWJPFUSA-N 426.729 7.881 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 214434879 IRCQABKHOJRDLS-MKMNVTDBSA-N 433.143 6.537 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 218946178 HPTDBWUIMBUYJD-UHFFFAOYSA-N 444.712 5.351 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223563943 CHGQRJUMJSXYJH-JOCHJYFZSA-N 447.044 5.546 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1C 224016261 VTWREUJXLLCJBZ-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)c1 224292438 GLVOZFZPKDPEDS-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1 224305340 VPEQAIAPQNPREI-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)[nH]1 224654601 POOHMHGEEXSSJN-DNQXCXABSA-N 426.545 5.688 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224788242 JAYZUZAUOFWCOE-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 224961299 OQRDHURLWWZAGM-UHFFFAOYSA-N 445.401 5.754 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225519824 ZJIGUXCYIACWDT-GJZUVCINSA-N 436.640 5.773 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225689141 XVXXZPKYCHOAPG-SFHVURJKSA-N 429.973 5.952 0 40 IKAB O=C(c1ccc(-c2cccc(Cl)c2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363187 NWUCUKPNQPYCGT-UHFFFAOYSA-N 438.335 7.697 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H](OC(=O)c4ccccc4)CC[C@H]32)C1 245380785 MCVIVMYFDOKJSH-FPJHFTSJSA-N 438.608 6.186 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257207860 BJQLYJIGOHXIDI-FQEVSTJZSA-N 427.935 5.970 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408576182 SQGHDUNTPVCHIR-NFQMXDRXSA-N 444.600 5.212 0 40 IKAB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccccc1F 408613825 WCJMXMOIHXCLAS-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OC 408620312 LUAKPLRXGFKGGO-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2cccc3ccccc23)cc1 408724279 JKWIMNPTWALIIO-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl 409113469 GENXOOQOKBXGBA-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CC(C)(C)c1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(C(C)(C)C)c1O 409127962 RZEDFIRXSNYNKQ-XSFVSMFZSA-N 429.626 6.604 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)cc1 409181634 FDJCVCBRHNIHNN-GIJQJNRQSA-N 448.588 5.745 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc2ccccc2o1 409330963 MRLJLCCKONNPHO-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 1083103377 QDTHBJRRNHWFTN-IKAXQFJBSA-N 443.591 5.906 0 40 IKAB COc1ccc(CC[C@@H](C)NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)cc1 2037845762 KSMMGVVSMQBCQT-GOSISDBHSA-N 437.559 5.128 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)c(C)c4)sc3n2)cc1OC 661367 YTSHIZYDAGGLAL-UHFFFAOYSA-N 433.533 5.432 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(C)c3)cc2c1 884818 DDCAMTIRHIDSRE-UHFFFAOYSA-N 447.560 5.227 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 1359705 YFRNAFKGZHIBOG-UHFFFAOYSA-N 436.964 5.702 0 40 IKAB O=c1c(OCc2ccc(Cl)c(Cl)c2)c(-c2ccc(Cl)cc2)oc2ccccc12 1791343 ZASYSGHYUSOUHW-UHFFFAOYSA-N 431.702 6.999 0 40 IKAB Cc1ccc2c(c1)N(C(=O)COc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 1830896 XQGIARMPSSGWKQ-UHFFFAOYSA-N 431.579 6.314 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 2265525 HIFGCEOPLWMLRY-UHFFFAOYSA-N 442.563 5.988 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(Cl)cc1)N1C(=N2)C(O)=Nc2ccccc21 2322304 DGUCALBBDGRHQR-QFIPXVFZSA-N 439.906 6.075 0 40 IKAB CCCSc1nc(NCCc2ccccc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2395014 OQWQLSONQYWFQJ-QHCPKHFHSA-N 427.639 6.089 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2546052 XACJMBQAKASAOS-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2650417 PUZKIKFWCUEOCE-UHFFFAOYSA-N 436.625 5.405 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)cc1 2714719 TYLMGURRYFCKRV-UHFFFAOYSA-N 440.934 6.362 0 40 IKAB CCC(C)(C)c1ccc(OCCCCNC(=O)c2c(F)cccc2F)c(C(C)(C)CC)c1 2759574 BXRJQVCMFVQKJJ-UHFFFAOYSA-N 445.594 6.929 0 40 IKAB O=C(c1ccc(Cl)cc1)n1ccc(-c2ccc(Oc3ccc(Cl)cc3)cc2Cl)n1 3041602 IXKGTNPFHOENGC-UHFFFAOYSA-N 443.717 6.991 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N[C@H](C)CCc3ccccc3)s2)cc1C 3221243 ZAGSRPXEILYTJP-QGZVFWFLSA-N 426.611 5.128 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1Br 3581572 UZGGPZFSWYGQAF-UHFFFAOYSA-N 434.311 5.051 0 40 IKAB CCC(C)(C)C(=O)[C@H]1[C@](C)(c2ccccc2)CC(c2ccccc2)=C[C@]1(O)C(C)(C)CC 4729222 JYXYBEIHSGHFQN-JPHFWNGBSA-N 432.648 7.220 0 40 IKAB COc1ccccc1CSc1nnc([C@H](C)N2CCCCC2)n1-c1ccc(F)cc1 6582584 MCHXCYXVUZFQNC-KRWDZBQOSA-N 426.561 5.254 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O 8587098 QTRZYTXEQSLQDS-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB Cc1ccccc1CSc1nc(-c2ccccc2)nc2c1Cc1c(CO)cnc(C)c1O2 8589125 NKHWYUCQYALRFF-UHFFFAOYSA-N 441.556 5.637 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8739140 VPKVOZMFVMSPSR-BDYUSTAISA-N 446.978 7.151 0 40 IKAB COc1ccccc1-c1nnc(SCc2cc(C)ccc2C)n1-c1ccc(Cl)cc1 9308302 NWNKISOJNWMINQ-UHFFFAOYSA-N 435.980 6.505 0 40 IKAB Cc1ccc(CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)cc1 9391881 MQVIDDJWLZDGTH-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB COc1cc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccccc4)oc3c2)cc(OC)c1OC 9419605 LODQJADTVGESNG-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB Clc1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)c(Cl)c1 9424850 ONLXKCRAZRRSBV-UHFFFAOYSA-N 440.153 5.373 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 9440316 HCFJOKJQFFMBBJ-UHFFFAOYSA-N 435.530 5.096 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1Cl 9478569 MEFHCRRQKYQKLS-HXUWFJFHSA-N 438.984 5.924 0 40 IKAB CCOc1ccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)cc1 9573576 WOVBWLOBZXBHKF-UHFFFAOYSA-N 446.555 5.185 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)c1Cl 9664946 SDAJQRSRJBXRBO-UHFFFAOYSA-N 428.315 5.616 0 40 IKAB Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1 9676164 IWQGJRRPIZTRCC-UHFFFAOYSA-N 432.296 6.451 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c(C)c1 9763349 FIHOBVNBHGCXRS-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(Br)c1 10236855 NLTKNUFLRBQSPH-UHFFFAOYSA-N 444.329 5.454 0 40 IKAB COc1ccc([C@@H]2Oc3c(c(-c4cccc(Cl)c4)c(O)c4cc(C)c(C)cc34)S2)cc1 11851808 LFUKBPDQLWVGLG-AREMUKBSSA-N 448.971 7.675 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 12555153 PCCIVZOMRFDMLE-JYFHCDHNSA-N 432.589 6.950 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3OCC)C3CCCCC3)cc2c1 12645092 GDIZEIPSRKITCL-UHFFFAOYSA-N 448.563 5.301 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 12779508 ZIEWGCRESHUQJP-VGSWGCGISA-N 447.604 5.186 0 40 IKAB O=C(COc1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 12783094 RCCLNTFRXMWQIX-UHFFFAOYSA-N 433.895 5.113 0 40 IKAB CCn1c(S[C@@H]2C[C@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13127011 NNHYSSVJYGBLAH-KSFYIVLOSA-N 444.560 5.285 0 40 IKAB COc1cc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3ccccc3)[nH]2)cc2c1OCO2 13361687 KJEIEZXRZSAPTA-UHFFFAOYSA-N 438.405 6.167 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccccc4-c4ccccc4C(=O)O)cc3n2)cc1 13561474 XEMFIDJUUJSVKF-UHFFFAOYSA-N 448.482 5.346 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccccc1 13685299 GGKLAPREKKRELW-VQTJNVASSA-N 438.527 5.737 0 40 IKAB Cc1ccc(C)c(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 13710648 HBSMJRXZOPGYHT-QHCPKHFHSA-N 428.576 5.005 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 13803834 UCONQMZJZRHSQR-SFHVURJKSA-N 438.597 5.430 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(OC)c2)cc1 13898193 MPNWOGJRILFQQT-PNHLSOANSA-N 434.879 5.588 0 40 IKAB O=C(CSCC(=O)Nc1cccc(Cl)c1Cl)Nc1cccc(Cl)c1Cl 14162140 UYADXTNEYCRAJU-UHFFFAOYSA-N 438.163 5.611 0 40 IKAB O=C(c1ccccn1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 14819622 PDBXFRYSUBQMHG-AWEZNQCLSA-N 434.348 5.338 0 40 IKAB Cc1ccc(OCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c(Br)c1 15020694 UTWSSVYCVHPSMT-HNNXBMFYSA-N 445.382 5.152 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3cccc(Oc4ccccc4)c3)C(=O)O2)cc1OCC 16035433 DEMQHAUGBSSMGV-JWGURIENSA-N 429.472 5.621 0 40 IKAB CCOc1cc(CN(Cc2nc(-c3ccc(Cl)cc3)no2)C2CC2)ccc1OC(F)F 16419347 HTPYFPKMPNXSRO-UHFFFAOYSA-N 449.885 5.555 0 40 IKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C(=O)OC 16757871 RURMAIDMVFLLSP-IBGZPJMESA-N 437.952 5.785 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)c1 16902538 WQZPFLPKHUEMBE-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB O[C@@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957574 PEAWIEYQMCERBF-OXQOHEQNSA-N 449.885 5.501 0 40 IKAB COc1cc(NC(=S)NCCC(c2ccccc2)c2ccccc2)cc(OC)c1OC 17100649 PTAKSNSSISXGPC-UHFFFAOYSA-N 436.577 5.221 0 40 IKAB O=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(C(F)(F)F)cc1 17155973 DETLXLFINGWVQT-UHFFFAOYSA-N 425.863 5.334 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294101 MNGYMDRLYQAADQ-WMZHIEFXSA-N 443.526 5.441 0 40 IKAB Cc1ncsc1C(=O)N1CCC(c2noc3nc(C(C)C)cc(C(F)(F)F)c23)CC1 19562048 USJWBLPUGDPXPP-UHFFFAOYSA-N 438.475 5.150 0 40 IKAB Cc1cccc(C)c1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19819717 WKNRSPHVWWTGAA-UHFFFAOYSA-N 433.602 5.285 0 40 IKAB Cn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)nnc1-c1ccncc1 24770913 NBROFHGOGLGIRK-UHFFFAOYSA-N 436.953 5.353 0 40 IKAB Cc1cc(-n2c(C)cc(C(=O)CN3CCC(c4nc5ccccc5s4)CC3)c2C)no1 24813268 RUSHWHAVWICKOL-UHFFFAOYSA-N 434.565 5.063 0 40 IKAB O=C(Nc1cccc(CNC(=O)c2ccc(-c3cccs3)cc2F)c1)c1cccnc1 30871314 IKKGNQJCBBLRCV-UHFFFAOYSA-N 431.492 5.132 0 40 IKAB CC(=O)[C@@H](CN(CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841580 WLJJKQXSWXBIGG-ILBGXUMGSA-N 449.591 5.450 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127404 NLJYJWOJSZGJFA-UHFFFAOYSA-N 444.490 6.819 0 40 IKAB COc1ccc2cc([C@@H](C)C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 32855861 DDGLOCPYJUALBB-JKSUJKDBSA-N 437.490 5.617 0 40 IKAB c1ccc(-c2nnc(-c3nnc(SCc4csc(-c5cccs5)n4)o3)o2)cc1 32922491 PBBPZXNXFLJOLA-UHFFFAOYSA-N 425.520 5.264 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 33370797 GNUAAOJRHJIPIE-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1 35314135 IWCRYVGAPXFMJT-UHFFFAOYSA-N 432.911 5.526 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC3 39205787 MBZYKEVPFYHDOH-WZLOIPHISA-N 428.745 8.559 0 40 IKAB biogenic Cc1nc(-c2ccc(CN[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 57270780 INOOXCXZKPYVFV-JOCHJYFZSA-N 437.565 5.789 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCCC)cc1 57426430 GVTIXRVJPCBCAB-UHFFFAOYSA-N 429.611 5.332 0 40 IKAB COc1ccc2c(c1)N[C@]1(CCCN(CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 57719877 JGYUSFPHOWZCBM-SANMLTNESA-N 449.982 5.519 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@H](c1nc(-c2cccnc2)no1)C(C)C 69349083 PJAWHSGCKDLOEF-SFHVURJKSA-N 427.936 5.429 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1sc2ccccc2c1Cl 72229901 VHCJSLQPQZDTPN-FQEVSTJZSA-N 428.340 6.542 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)n2)n1 72375492 CQSUJTZWWNQCDQ-OAQYLSRUSA-N 446.942 5.344 0 40 IKAB Cc1ccc2c(-c3cc4c(CN(C)Cc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1C 95472788 HJIYIBMIOZFVLK-UHFFFAOYSA-N 438.527 6.158 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCc2nc(-c3ccccc3Cl)no2)sc(C)c1C 95481894 JFCKWWADERNLJN-UHFFFAOYSA-N 447.944 5.206 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@]12C[C@@H]3CC[C@]1(C)[C@]3(C)CO2 100782310 MNWDEVCUPZTABE-FDUHJNRSSA-N 425.550 5.126 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)c1 106759429 LAOIKBAIBSMPRX-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)c(C)c1 218885739 ZGIOVERHJGSVET-HXUWFJFHSA-N 432.402 6.010 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223221813 CUBKCMWPOHJYHT-QHCPKHFHSA-N 438.612 5.219 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 224197678 CLGVMIWXJPAORY-HSZRJFAPSA-N 444.978 5.196 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc2ccccc12 224632471 DIZYIPDNDVALSB-UHFFFAOYSA-N 441.527 6.469 0 40 IKAB Cc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@H](C)C(=O)NC(C)C)c1 225510644 NAOPRHHMBYPJJV-HSZRJFAPSA-N 442.603 5.459 0 40 IKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1Cl 225555519 CGQWRMSATLZYEZ-INIZCTEOSA-N 436.379 6.248 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)c1cccc(OCc2ccccc2Cl)c1 225778193 JSGPPPRBVHBVSY-UHFFFAOYSA-N 431.923 5.343 0 40 IKAB Cc1cc(N2Cc3ccccc3C2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972250 ROCBPGLLUHQXHT-UHFFFAOYSA-N 443.620 5.104 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257229861 FZTJLAKFTKOYTF-NRFANRHFSA-N 426.463 5.065 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 408650195 ZVASWAOMRWRXAJ-FQEVSTJZSA-N 440.474 5.763 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2cccc(C)c2)cc1 408697413 HDINLJLWHHAYGI-UHFFFAOYSA-N 426.520 5.456 0 40 IKAB CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Oc4ccccc4)cc2)[C@@H](O)c2ccccc2-3)C1 408992130 ZRECJGBEZUZXIR-LJAQVGFWSA-N 447.534 6.758 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCOc1ccc(F)cc1 409052676 VJVSIHVIBUAXHB-MOSHPQCFSA-N 443.883 5.854 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c2ccccc21 409354298 BRIMJUCETTZDOD-XKZIYDEJSA-N 447.560 5.343 0 40 IKAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CC[C@H](C)c2ccccc2)CC1 585166474 TYFZEYMZLRUKCM-QHCPKHFHSA-N 441.619 5.313 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 671913 CBYPGKHQGWIAAD-OAHLLOKOSA-N 445.581 5.345 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 884642 PTAQGBFBSLCOBG-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2)c(C)c1 887795 IQZHGECIMJXHMG-UHFFFAOYSA-N 428.561 5.471 0 40 IKAB COc1ccc2nc(NC(=O)COc3ccc(C(C)(C)c4ccccc4)cc3)sc2c1 951192 QIJARVQRSYPUGB-UHFFFAOYSA-N 432.545 5.648 0 40 IKAB O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccc(Cl)cc3)ccc12 1772378 BZRQMXYPOBDFNS-UHFFFAOYSA-N 428.871 6.971 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(F)c(Cl)c4)c(C)c3cc2c1C 2094201 PWIGYYYIYWDEBG-UHFFFAOYSA-N 427.859 5.828 0 40 IKAB biogenic c1ccc(CSc2nc(SCc3ccccc3)c3c4c(sc3n2)CCCC4)cc1 2181006 BDKVZKZZFXKWGQ-UHFFFAOYSA-N 434.655 7.155 0 40 IKAB Cc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 2215201 KTSNQCHANUGHOI-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 2256249 VRKMJBZOEIIDHI-RPWUZVMVSA-N 426.907 5.453 0 40 IKAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3cccc(C(F)(F)F)c3)cc2oc1=O 2396303 SZCSEPNBVJBSAJ-UHFFFAOYSA-N 440.801 5.068 0 40 IKAB Clc1cc(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c(Cl)c1Cl 2569346 HJBYDWKNARZTMJ-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic,in-vitro COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)n2ncnc2N3)cc1 2707299 XACJGYUUYIEBNA-XZOQPEGZSA-N 428.517 5.217 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3111777 SRFPWULGPUPYKK-SANMLTNESA-N 425.557 5.622 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 3303366 GOWKIXZZVZDUNT-IFXJQAMLSA-N 428.508 5.345 0 40 IKAB O=C(COc1ncnc2sc3c(c12)CCCC3)N(C1CCCCC1)C1CCCCC1 3349557 JECLDIFGDQLOLT-UHFFFAOYSA-N 427.614 5.443 0 40 IKAB COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)C(C)=CC(C)(C)N2 6077371 VWADMDFHPOHTLA-UHFFFAOYSA-N 445.606 7.685 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1OC 6878434 WXMRRXGEYUXMNT-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB Clc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccc(Cl)cc3)C2)cc1 8386282 JSRYCETUVLGSQH-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB CCc1c(C)sc(NC(=O)/C=C/c2ccc(Br)cc2)c1C(=O)OC(C)C 8396940 GNLQAKMCEPPBHY-DHZHZOJOSA-N 436.371 5.599 0 40 IKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1ccccc1Br 8833842 QFRAODLFDHEJDB-UHFFFAOYSA-N 442.316 6.169 0 40 IKAB CN1C[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@@H](c2ccccc2)C1 8888305 GDBDLBPXGKPWAX-FGZHOGPDSA-N 426.343 6.314 0 40 IKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9019214 QIJPIGVTXWBMSY-UHFFFAOYSA-N 432.907 5.427 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)n2C(C)C)cc1 9053866 JLDDQDSVNCLVAB-CYBMUJFWSA-N 448.951 5.446 0 40 IKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](/C=C/c2ccccc2)C4)cc1OC 9290210 PJRXAJNPOJWVBX-YXBWYFRISA-N 439.515 5.180 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3nc4ccccc4s3)c3ccccc3C2=O)cc1C 9347701 CBDVZXRZCVCRAT-ZHZULCJRSA-N 425.513 5.553 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)cc1 9529375 QBZNDTNNBFOFLU-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB CCOc1ccc2nc(S[C@H](C(=O)Nc3cc(C)on3)c3ccccc3)sc2c1 9583636 UCZVYEQQRIHZAG-IBGZPJMESA-N 425.535 5.464 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1ccc(F)c(Cl)c1 9584568 PVYPYBZHPQZQSH-UHFFFAOYSA-N 446.381 5.840 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9632353 XJVHLMUTEUNRTC-UHFFFAOYSA-N 426.973 5.446 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(F)cc1Cl 9632754 NBJJFXQDMYZZMD-UHFFFAOYSA-N 428.876 5.051 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 9882156 OJEPANCCKMNDLE-UHFFFAOYSA-N 448.569 5.419 0 40 IKAB O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9911351 WWSNVJSVIZOYJW-MRXNPFEDSA-N 442.587 5.051 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(Cc3csc(C)n3)o2)c2ccc(C)cc2)cc1 9953315 RXWFZZRVJGIUIK-QFIPXVFZSA-N 435.574 5.758 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1C 10026886 HOWPUDZSXJYTLP-KRWDZBQOSA-N 429.545 5.808 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 10059092 SFZXWRRPDZZGNR-MHZLTWQESA-N 447.962 5.645 0 40 IKAB C[C@@H](OC(=O)CCc1nc2ccccc2s1)C(=O)Nc1ccccc1-c1ccccc1 10358742 BMEKCIRLCWKLDT-QGZVFWFLSA-N 430.529 5.466 0 40 IKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCCc1ccccc1 12062868 AGHDEJBSHULKCK-FOCLMDBBSA-N 426.453 5.391 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)c1)C(F)(F)F 12525042 RLPQMMUZHUTBDM-SNAWJCMRSA-N 427.209 5.918 0 40 IKAB C[C@@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nnc2ccccn12 12679058 AMLAYPRWCKLUEW-QGZVFWFLSA-N 442.544 5.400 0 40 IKAB COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)cc(Cl)c1OC 12682280 REWUDBMNZQHTPU-OAQYLSRUSA-N 439.895 5.202 0 40 IKAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c1 13041277 SWSLDAHDGWNMMT-IBGZPJMESA-N 439.581 5.042 0 40 IKAB CC1CCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)CC1 13071535 HWYYNLKMEIQBOD-UHFFFAOYSA-N 428.989 5.325 0 40 IKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1cc(Cl)ccc1Cl 13095941 IKAXMCHACMPGLG-UHFFFAOYSA-N 437.373 5.552 0 40 IKAB C[C@@H](Sc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1Cl 13096994 PGWASILARKONSW-CQSZACIVSA-N 429.035 7.490 0 40 IKAB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@H]4[C@@H]5CC(=O)C[C@]5(C)CC[C@@H]43)C2)cc1 13399525 IFADLLNZMJESQF-SOYZIHTNSA-N 444.637 5.681 0 40 IKAB biogenic CC(C)c1ccc(/C=C2\SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 13551616 FFHPLVSSUUPTCY-WQRHYEAKSA-N 431.355 5.678 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3cccc(F)c3)cc2c1 13562059 GYCPGACJEAMTLW-UHFFFAOYSA-N 448.925 6.187 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C 13590781 IETAVFIVVRCJLR-DFBJGRDBSA-N 430.523 5.995 0 40 IKAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1ccc(Br)cc1 13898934 ITLPRBJYZZCIBW-SXGWCWSVSA-N 436.352 5.366 0 40 IKAB Cc1ccccc1OCc1n[nH]c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 14067982 IAXIZQITPQRHJX-QFIPXVFZSA-N 448.523 5.303 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccccc1N1CCCC1 14071095 INQDTUWPTMBWGF-HHHXNRCGSA-N 443.591 5.416 0 40 IKAB Cc1csc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2-c2ccccc2)n1 15018888 NEHAKRRHMYXHJI-UHFFFAOYSA-N 447.545 5.176 0 40 IKAB Cc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccccc4)c3c2N)cc1 16311083 OLEQYEFJTHHQOX-UHFFFAOYSA-N 434.564 7.060 0 40 IKAB COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ccc(C)cc4o3)cc2)cc1Cl 16348611 JZKZOLSXXMQFAK-UHFFFAOYSA-N 441.314 6.049 0 40 IKAB C[C@H](NC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1nc2ccccc2[nH]1 16685375 BSUSCKKKXZBAFT-QLXKLKPCSA-N 440.572 5.550 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(Cc4ccccc4)C(C)C)ncnc32)cc1 16768322 HVUYPEUESYIIQS-UHFFFAOYSA-N 432.571 6.811 0 40 IKAB Cc1ccc(SCc2nn(CC(=O)c3ccccc3)c(=S)n2-c2ccccc2)cc1 16768713 VUUZEWGFLKOBAR-UHFFFAOYSA-N 431.586 5.887 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F 17102754 VYVWKOMIJVVFFN-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)cs1 19571798 GELCUVVXSOMPJE-JOCHJYFZSA-N 441.560 5.629 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 19933626 ZZLFHKTUKATJPB-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CCOc1ccc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OCC 20105006 VYXCVHLLSQHSAX-UHFFFAOYSA-N 439.939 6.501 0 40 IKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 20140135 PHBRSEGUFKAXQC-UHFFFAOYSA-N 445.085 6.511 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 20241768 RORTYCRUZXGPNO-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCC(c2noc3cc(F)ccc23)CC1 20728794 SFIBQLYXMTZYER-NRFANRHFSA-N 427.863 5.107 0 40 IKAB O=C(CCc1nc2ccccc2s1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 21548626 RQUOMONBFCLJDQ-UHFFFAOYSA-N 441.600 5.163 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2cccc(Cl)c2C)o1 22111459 AOHQRTFRQGBVMU-UHFFFAOYSA-N 426.929 5.582 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(Br)o3)nc12 22889623 XBQKBBIBRWHWJB-CYBMUJFWSA-N 435.343 5.094 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cccc(NC(=O)c4cccnc4)c3)sc2C)cc1 29028603 KLURQZDGEOWPBS-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F 32106283 OKHOJKCULZWJJV-INIZCTEOSA-N 432.377 5.188 0 40 IKAB C1CCC[C@@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@H]45)O[C@H]23 33822036 PQYOPBRFUUEHRC-MUJQFDPKSA-N 446.720 6.335 0 40 IKAB in-vitro CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)cc1 41076845 FJSWFYCZEYFYIF-UHFFFAOYSA-N 429.545 5.326 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)c(OCc2cc(=O)n3oc(C)cc3n2)c1 41089519 UHXJKGYLQUGPCL-UHFFFAOYSA-N 445.519 5.033 0 40 IKAB CCCCC1CCC(C(=O)Nc2ccccc2OCc2cc(=O)n3oc(C)cc3n2)CC1 41089657 NUDMEOFISVOYIU-UHFFFAOYSA-N 437.540 5.110 0 40 IKAB Cc1ccccc1-n1c(C)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 58357683 BNTHQPHBCXYCMG-UHFFFAOYSA-N 432.336 5.533 0 40 IKAB C[C@H](Nc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 60100683 NAFGYSUFEFKYJK-PKOBYXMFSA-N 435.959 5.158 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc2c3c(cccc13)CC2)[C@@H](c1ccccc1)C1CCCC1 67194121 IOEOKVOYHXSRMC-IOWSJCHKSA-N 445.606 7.118 0 40 IKAB C[C@]1([C@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 96306122 AMQREPVATSAXGL-PXJZQJOASA-N 447.534 5.919 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118912507 VGSSUFQMXBFFTM-RUEXPLNMSA-N 448.732 6.190 0 40 IKAB in-man CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1C 218799860 ZGGDOBXNROSTJV-OAQYLSRUSA-N 442.606 5.071 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223089369 ZFFFAFWQQOONKE-JOCHJYFZSA-N 430.592 5.414 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 223193865 GSRVZNGGRQEXPM-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C 223470538 NXQZFEKJOMZHPR-GOSISDBHSA-N 433.423 6.008 0 40 IKAB COc1cc2c(cc1S(=O)(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C)CCCC2 223482720 VDVFYKAPTCGPRH-AREMUKBSSA-N 435.589 5.259 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223891308 GWESBEIUYWOLMK-BJKOFHAPSA-N 431.609 5.241 0 40 IKAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224033826 WKOMZSCJHOIRLO-OAQYLSRUSA-N 428.941 5.022 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C(C)(C)C)cc1 224183723 KPNYFCOUCXLYMO-UHFFFAOYSA-N 435.589 6.546 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224329712 PNOJTTCXKBSWMV-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2nnc(SCc3ccccc3)s2)cc1C(C)C 224491232 UZFPWPXEJSLYQL-UHFFFAOYSA-N 449.623 5.072 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 224626753 JAAZQSPMZJLVIP-QFIPXVFZSA-N 431.576 6.032 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3OC)o2)c(OC)c1 224933859 UIDMPBZOAIBPTC-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225271223 WHRAUNBSPFKIOT-DEOSSOPVSA-N 440.603 5.389 0 40 IKAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225381868 ZUQLOUVJQMAXOD-BJKOFHAPSA-N 432.593 5.402 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 225644497 GMMJALIYCJNFOY-AUSIDOKSSA-N 444.616 5.338 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3Sc3ccc(Cl)cc32)cc1Br 226363462 HGAWJAXVNTZWDN-UHFFFAOYSA-N 446.753 6.554 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(Cc3cccc4ncccc34)CCO2)n1 257217227 CYCXNFBUBHWUKP-XMMPIXPASA-N 445.592 5.329 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 257241669 HZAFMDPNNDOFTB-OAQYLSRUSA-N 445.910 5.290 0 40 IKAB O=C(Cn1cnc2ccccc21)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257300850 RVXQOVJTUOGLRP-OAQYLSRUSA-N 444.966 5.082 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257314905 UZCDLBNIQYHVBE-IBGZPJMESA-N 431.923 5.487 0 40 IKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OC(C)C 260780936 RXCDRNCCRKPRCY-ZLGUVYLKSA-N 446.016 5.900 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)COc2ccc(C3SCCS3)cc2)cc1 408568131 IBAHWLLLOTTWJN-UHFFFAOYSA-N 437.586 6.283 0 40 IKAB COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)c(Cl)c1 408571870 CZSLFYWUZCPWCG-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1cccc(NC(=O)COc2ccccc2CNc2ccc(Br)cc2C)c1 408603615 BYXPFRBNLXFQJC-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c(C)c1 408641761 MRRGOORKDYRCAU-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2SC)cc1 408677902 SFXPQCGMJRRFOD-UHFFFAOYSA-N 430.529 5.548 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)cc1 408693616 BALVSLQDWFBCLQ-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 408719704 PHMGYUJPBKWGNV-NFJKTXFASA-N 444.328 5.020 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409093874 BGNYXZSCQOHUNY-YXHQGMJNSA-N 449.732 5.377 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccc(Cl)cc1 409138600 FGLTWBDUXSFUHW-APSNUPSMSA-N 433.714 5.825 0 40 IKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2c(F)cccc2Cl)N1c1ccccc1 409327574 KWQGVVGOVTXJAM-AREMUKBSSA-N 442.921 6.845 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)cc1 409331956 FHKNSNVMSJQWLD-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Br)c1OCC 409368740 KMELVDJNSAKYNO-UHFFFAOYSA-N 432.236 5.518 0 40 IKAB Cc1cccc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)c1 643582944 UAQLQASJCDMPFC-NOZRDPDXSA-N 434.580 5.083 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 1378207 AMRFPHDEYCENRD-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB c1ccc(Oc2ccc(Oc3ccc(Oc4ccc(Oc5ccccc5)cc4)cc3)cc2)cc1 2030654 QJUDDNWGFYFRFN-UHFFFAOYSA-N 446.502 8.856 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(C)c2oc1=O 2094018 MLVVVIFUHRAJCO-UHFFFAOYSA-N 449.330 5.791 0 40 IKAB biogenic COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 2247147 DEVLNKXPSWNCNP-UHFFFAOYSA-N 431.293 5.407 0 40 IKAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(SCC(=O)O)c23)CO1 2264364 OJGXPTBCYBUCMF-UHFFFAOYSA-N 432.592 5.012 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 2594147 GNJLAQHHRZARCD-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccc2c(c1)OCO2 2970060 MFSUWJRDGZPAON-UHFFFAOYSA-N 436.920 5.119 0 40 IKAB COC(=O)c1c(-c2ccccc2)noc1-c1cn(-c2ccc(C)cc2)nc1C(F)(F)F 3048849 BDVVQOLYCDJERC-UHFFFAOYSA-N 427.382 5.308 0 40 IKAB Cc1nc(SCC(=O)Nc2ccccc2C(F)(F)F)c2c3c(sc2n1)CCCC3 3210061 MFWOPJPBWYYPAQ-UHFFFAOYSA-N 437.512 5.628 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 3275389 KRMJMNXHUNMACV-RUZDIDTESA-N 441.531 5.261 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12 3294625 ZPTRWIPKMNTDIJ-FQEVSTJZSA-N 441.918 5.225 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)NCCC(c2ccccc2)c2ccccc2)c1C 3439912 JJEFWTJFKOXFMG-UHFFFAOYSA-N 434.583 6.999 0 40 IKAB O=C(CSc1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1nc2ccccc2s1 3581557 IDZDNKKACYJXLJ-UHFFFAOYSA-N 447.560 6.169 0 40 IKAB O=C(Nc1ccc(OC(=O)c2ccccc2)cc1NC(=O)c1ccccc1)c1ccccc1 3845308 GFUMNVUCPKUEEU-UHFFFAOYSA-N 436.467 5.410 0 40 IKAB biogenic C[C@H]1CCC[C@@H](C)N1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971401 FMOSXWGMOAQLCW-HDICACEKSA-N 427.589 5.273 0 40 IKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 6601112 SLBBMVAFOFXSKA-JZTSUELASA-N 447.534 5.509 0 40 IKAB Oc1cc(OCc2ccc(Cl)cc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 8440369 CYSCTXUXIFMXRX-UHFFFAOYSA-N 445.733 6.989 0 40 IKAB CCOc1cc(-c2ccc(OC)c(OC)c2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c12 8740241 JFINNVVIAOWJTM-BYNJWEBRSA-N 443.543 6.673 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CCN(C(C)C)C2 8793045 LYIXHEBZSLJKOJ-UHFFFAOYSA-N 447.409 5.312 0 40 IKAB Cc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1 8837230 RIVBDPLSRXLBHV-UHFFFAOYSA-N 432.545 5.297 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc14)C(=O)N2)C[C@H](C)CC3 8870435 GQRSUVHCFAIHHU-CYBMUJFWSA-N 446.528 5.386 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc1O2 8961301 RITQGUHKZXTXCJ-UHFFFAOYSA-N 434.517 5.033 0 40 IKAB CC1=C(CC(=O)Nc2cc(C)ccn2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 8990911 LYEMRIALSVIZSG-XSLJVDACSA-N 446.547 5.623 0 40 IKAB CN1C(=S)N(c2ccccc2)[C@@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C 9124720 AWZPWJQLNRBYOS-INIZCTEOSA-N 439.368 5.058 0 40 IKAB COc1ccc([C@@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccc(Cl)cc2)cc1 9130013 DGGUOCYJMZUZRW-RUZDIDTESA-N 434.923 5.236 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)sc3ccccc3c2=O)cc1 9187606 PEACVTZGDSCFCB-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB Clc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9290913 MOVQQQYSHFCABJ-PZJWPPBQSA-N 438.756 6.599 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1Cl 9293257 IZYMSRNDGIYNOA-VXKWHMMOSA-N 448.313 5.193 0 40 IKAB COc1cccc(-c2nc(Oc3cccc(Oc4ccccc4)c3)c3ccccc3n2)c1O 9346008 XUNKDHPPNWKJLG-UHFFFAOYSA-N 436.467 6.596 0 40 IKAB O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc(Cl)c(Cl)c1 9371577 DALSYLWUAMFMCN-UHFFFAOYSA-N 428.724 6.240 0 40 IKAB COc1ccc2nc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)sc2c1 9381963 PORALSUVIDDOHN-UHFFFAOYSA-N 449.626 7.266 0 40 IKAB Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cccc(C)c5)[C@@H](C)C4)cc23)cc1 9528940 CEMPZSBXXZWEDK-FQEVSTJZSA-N 425.532 5.463 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3c(C)cccc3C)nc3ccccc3c2=O)cc1 9666303 VPRDYPJXDHNUDQ-UHFFFAOYSA-N 443.572 5.101 0 40 IKAB Cc1ccc(Nc2nc(NCC(=O)Nc3ccccc3)nc(Nc3ccc(C)cc3)n2)cc1 9908043 YXWVXNVGUMMQMZ-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 10045126 DXRYASHBVDHSJR-CQSZACIVSA-N 447.318 5.460 0 40 IKAB O=C(CCCS(=O)(=O)Cc1ccccc1)Nc1nc2c(s1)-c1cccc3cccc-2c13 10687215 CBFJXTLECSCOEI-UHFFFAOYSA-N 448.569 5.277 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 12321019 FFZPKBOIZNYVTR-IATMXGELSA-N 426.601 5.920 0 40 IKAB CCCN(CCC)c1nc(-c2cccs2)nc2c1sc(=S)n2Cc1ccccc1 12411049 GQSFJHXVMZCNBE-UHFFFAOYSA-N 440.663 6.625 0 40 IKAB COc1ccc(OCCSCc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 12578558 BSKYVFNRCIXTOT-UHFFFAOYSA-N 442.537 5.112 0 40 IKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1S[C@H]1CCS(=O)(=O)C1 12749711 ROGSNESYFKZBKP-FQEVSTJZSA-N 439.558 5.010 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1OC 13057990 FBAGKCKGWKUTAA-MDZDMXLPSA-N 442.987 5.116 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 13118147 WXEBEUJYQHQYJE-VFNNOXKTSA-N 428.941 5.344 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(F)(F)F)cc1)oc1ccccc12 13148548 ONBUOSFFLYQXMR-UHFFFAOYSA-N 443.377 5.409 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3Cl)c2c1 13423945 PNKGWCUYOVSLIM-UHFFFAOYSA-N 435.936 5.690 0 40 IKAB Brc1ccc(-c2nc(-c3cnc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 13809825 LYLSLZOLXZQTJR-UHFFFAOYSA-N 426.317 6.721 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2c(F)cccc2F)n1C(C)C 13956672 LQCMEPUXWKZNMR-UHFFFAOYSA-N 446.523 5.064 0 40 IKAB COc1ccc(OCc2nn(CC(=O)N(c3ccccc3)c3ccccc3)c(=S)o2)cc1 16768594 KAUFQVLRANCVJC-UHFFFAOYSA-N 447.516 5.158 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 16890359 RXZHEHGHPPLSKT-UHFFFAOYSA-N 439.606 5.448 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)c1ccc(NC(=O)CC(C)C)cc1 17831078 HQQGHZZRHMBGNQ-UHFFFAOYSA-N 442.562 5.204 0 40 IKAB CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3nc(Cl)ccc3Cl)n2)cc1 18892937 QNVAFCMWFHAKGB-UHFFFAOYSA-N 435.336 5.503 0 40 IKAB CC(C)CC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19446395 JSVFCKMUHMYRQE-LJQANCHMSA-N 433.531 5.173 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20049163 CNJXQNMQJDFYQH-DEOSSOPVSA-N 428.488 5.159 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 20049355 BTNVQHXRHOKGFS-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3csc(-c4ccsc4)n3)n2)c(F)c1 21975331 RLPOXGGYSDKKLI-UHFFFAOYSA-N 444.538 5.345 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccccc1Br 22053482 NMMIFPLSNLKDGE-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB Cc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22112421 BRAVIDPJKHRHDR-UHFFFAOYSA-N 429.760 5.532 0 40 IKAB C[C@@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24060234 ZXAHBNBWQASPSF-OAHLLOKOSA-N 425.872 5.266 0 40 IKAB CCc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 29429431 WDPQPEZKAOCENX-SIKLNZKXSA-N 438.618 5.130 0 40 IKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccc2c(Br)cccc12 32118915 KFFALYIMXTZTNM-UHFFFAOYSA-N 443.410 5.031 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1nc(-c2ccc3c(c2)CCO3)cs1 32869017 NFXDABNJRJWYKA-UHFFFAOYSA-N 425.560 5.111 0 40 IKAB Cc1ccc(C)c(CSc2nc3c(sc(=S)n3-c3ccccc3)c(=O)n2C)c1 32952561 CPQBZDUQEWARSA-UHFFFAOYSA-N 425.604 5.424 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 33026465 IUUKXVLIIMSQGR-UHFFFAOYSA-N 444.560 5.556 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccccc2Cl)cc1OCc1ccccc1 33789604 JKZCGYWTBUJLJX-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38834480 XZGYZPKVSBYMDG-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CSc1cccc(N2C[C@@H](C(=O)Nc3nc4c(ccc5ccccc54)s3)CC2=O)c1 40160002 RBLJQWDLOCCKPO-HNNXBMFYSA-N 433.558 5.163 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCC[C@H](C)C3)cnc2n1 49005414 OZWCCNLORZFMJJ-AWEZNQCLSA-N 439.357 5.316 0 40 IKAB Cn1c(CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc2ccccc21 49622852 ZMIYZWIDHMMCGR-QFIPXVFZSA-N 439.346 5.350 0 40 IKAB CC(=O)Nc1ccc(C)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 58357618 VGLQMZJRPAPYMK-UHFFFAOYSA-N 434.521 5.396 0 40 IKAB O=c1c(Cl)c(N[C@@H]2CCc3c(Cl)cccc32)cnn1-c1ccc(C(F)(F)F)cn1 58413015 YEVYRCLBNLZYMG-CQSZACIVSA-N 441.240 5.053 0 40 IKAB FC(F)(F)c1ccc(-c2noc(CNc3cc4c(cc3Cl)OCCCO4)n2)cc1 71848286 FOGSSQBSGDUBQA-UHFFFAOYSA-N 425.794 5.182 0 40 IKAB COc1cc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccccc2)cc(OC)c1OC 101192205 PJGUMPKEPDFITH-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106699777 DULMEPYIKHDUHQ-OCKHKDLRSA-N 436.360 6.265 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c1 113965354 HXBVGHSRRJSNRV-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2ccccc2-c2cn3cccc(C)c3n2)c1 206901336 ZCUVJIBSRLOZGX-UHFFFAOYSA-N 436.309 5.333 0 40 IKAB CC(C)C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 216436138 ZQSJEDNJIAIIMN-HXUWFJFHSA-N 432.402 6.029 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 222728278 UDRLMQPNUCUZFH-SFHVURJKSA-N 440.392 5.654 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 222997528 ANQVUOCOWDYZOT-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223223224 KWQXDTRPZDQKIP-NRFANRHFSA-N 432.967 5.052 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CC)cc1 223807207 DYSFDVDPYWRORC-HSZRJFAPSA-N 445.003 5.005 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223954762 CEHXHGYHEHSFEB-AREMUKBSSA-N 431.601 6.654 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224053060 IJGURYRFDJPGTN-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COc1ccccc1 224088349 RKUITVXXFGGOKK-UHFFFAOYSA-N 439.511 6.106 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 224429932 OGYHOCTXSAXKKX-NRFANRHFSA-N 435.395 5.096 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224476154 ATMYNDULLYAODO-XZOQPEGZSA-N 449.938 6.311 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccccc1C(C)(C)C 224511601 MMVPVTYMXFYNCQ-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1 224951732 IJMPHFHRRDBLAN-GOSISDBHSA-N 428.381 5.495 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225577425 ZRJOARXCURXLPP-PXDATVDWSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225613870 UELFGPTWAXTCJO-XXBNENTESA-N 429.004 5.221 0 40 IKAB Cc1ncc(CN2CCO[C@@H](c3cccc(Cc4ccccc4C(F)(F)F)n3)C2)s1 257265059 LXDJWDUQSRBPRB-OAQYLSRUSA-N 433.499 5.030 0 40 IKAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 257329130 XIQBOZNKLUWNIS-OAQYLSRUSA-N 445.007 5.202 0 40 IKAB Cc1cc(-c2ccc(Br)cc2)n2nc(-c3ccccc3)c(-c3ccccc3)c2n1 408635807 FKQPSBRHDZSMQO-UHFFFAOYSA-N 440.344 6.801 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)OC)c4C)o3)S2)cc1 408781728 FLLWQMXKVUTWHS-WDONWYDGSA-N 448.544 5.204 0 40 IKAB COC(=O)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408811362 NNAQWTJHEAPSGC-OPNIWQPMSA-N 435.569 5.527 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3)c(Br)c2)C1=O 408812303 OHVWCOGWWKQKTP-DHDCSXOGSA-N 438.730 5.348 0 40 IKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1C(C)C 409050947 FDHXMVUKNSJBIJ-HMAPJEAMSA-N 443.540 5.772 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCCc2ccccc2)cc1 409104249 GVZUOGQHZWMZJH-UHFFFAOYSA-N 429.589 5.982 0 40 IKAB CCc1sc2nc(SCCOc3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409111341 IHURSQVLJDYFTF-UHFFFAOYSA-N 436.602 5.798 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1CC1CCCCC1 409129758 UQFVOILUNOFJMB-HYARGMPZSA-N 425.525 6.021 0 40 IKAB CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 409144304 XWRKOHXCKAYUQG-GOSISDBHSA-N 437.920 5.083 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409182205 JGYNBBQOZTYOLN-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OC)c2)C1=O 409230924 GZCUBTWYRQFDSU-KBVGCWLLSA-N 428.348 5.081 0 40 IKAB Brc1ccc(OCc2cccc3ccccc23)c(-c2nc3ccccc3s2)c1 409250983 NOJCPNOOVMVEAC-UHFFFAOYSA-N 446.369 7.458 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1 409353066 GFHRWROJLJPIMA-MTJSOVHGSA-N 438.549 5.013 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 409354095 YBLFCEZGMZFNMQ-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 658185 JTQVUTQIMUBSBW-AWEZNQCLSA-N 440.421 5.970 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871368 HRQUXJAWKUWAGG-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCCC2)cc1 878843 PWIZNZAMBYDXLU-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 901809 BVQIUZYUZNTLCG-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB Cc1ccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)c(C)c1 1766074 WPWMIHWTMIUHJT-UHFFFAOYSA-N 430.935 5.329 0 40 IKAB COc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)c(OC)c1 1944670 IGHJFHNIPDGYPX-LKUDQCMESA-N 436.305 6.112 0 40 IKAB CC(C)(C)c1cc(OC(=O)c2cc(Br)ccc2Br)ccc1O 2069883 AQSNNVNYENWKHY-UHFFFAOYSA-N 428.120 5.434 0 40 IKAB c1ccc(-c2nnc(N3CCCCC3)c3nn(-c4ccccc4)c(-c4ccccc4)c23)cc1 2181161 JGFZNORIPJIDIX-UHFFFAOYSA-N 431.543 6.140 0 40 IKAB Cc1ccc2c(C)nc(NC(=N)NC(=O)N3c4ccccc4Sc4ccccc43)nc2c1 2341969 SOIQLXUALSOUKT-UHFFFAOYSA-N 440.532 5.606 0 40 IKAB aggregator CCOc1ccccc1C(=O)OCC(=O)Nc1cc(Cl)ccc1Oc1ccccc1 2655575 MLYOBWPUGSNSOV-UHFFFAOYSA-N 425.868 5.327 0 40 IKAB Nc1cccc2c1C(=O)N(C(=O)c1oc3ccccc3c1CSC1CCCCC1)C2=O 2663073 JBZFAVPJZKNXQK-UHFFFAOYSA-N 434.517 5.017 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c(Cl)c1 3244052 CGUAKDVDAMQUNN-UHFFFAOYSA-N 436.920 5.721 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1-c1ccccc1 3413027 VCZVMWSNFZNPBT-UHFFFAOYSA-N 433.533 5.729 0 40 IKAB COc1ccccc1OCCSc1nc2ccccc2n1CCOc1ccc(C)cc1 4045695 VYIAOVYIYDXYOY-UHFFFAOYSA-N 434.561 5.603 0 40 IKAB CC(=O)[C@@H]1C[C@H](C(=O)c2ccccc2)N2c3ccccc3C=C(c3ccc4ccccc4n3)[C@H]12 4046863 VGHIIJSHMNDPAA-QKZGOTKPSA-N 444.534 5.824 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@](O)(C(F)(F)C(F)F)C2)cc1 8750709 CRBLQGYZIIJMAW-FQEVSTJZSA-N 435.446 5.322 0 40 IKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)cc1 8916295 ABURPFIQWYMAKF-UHFFFAOYSA-N 435.883 5.584 0 40 IKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccc(Cl)cc1 9310495 AKKKNEBTCRBBQY-UHFFFAOYSA-N 425.941 6.009 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 9605462 JKIKWAIJOWAPAP-XMMPIXPASA-N 441.575 5.269 0 40 IKAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3ccc(Br)cc3)c2)o1 9668167 AFBABDQIGVCVIB-UHFFFAOYSA-N 434.293 5.727 0 40 IKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4c(Cl)cc(Cl)cc4c32)cc1 9675906 MXPSVCFHTPZXDJ-UHFFFAOYSA-N 446.381 7.845 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 9983935 HACHECDBDRDQQV-GOSISDBHSA-N 446.551 5.102 0 40 IKAB O=C(CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1)c1ccc2ccccc2c1 10219430 QBEUTDIWGKKXSU-RUZDIDTESA-N 431.582 6.100 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10313877 GJVISJKDJWYSCD-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Br)o1 11024819 ZQNYOYPWVMQCMO-UHFFFAOYSA-N 445.260 5.157 0 40 IKAB Cc1c(Cl)cccc1NC(=S)NC(=O)c1ccccc1OCCOc1ccccc1 12137334 AMTGMPVTNCNSSL-UHFFFAOYSA-N 440.952 5.233 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12195796 VCWMZPNFXLNGTM-ISKFKSNPSA-N 448.906 5.378 0 40 IKAB Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274487 NOZALFLZONDAKH-UHFFFAOYSA-N 429.867 5.290 0 40 IKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)C34CC5CC(CC(C5)C3)C4)n2)cc1 12441872 JBVLVFNJAYKRFI-UHFFFAOYSA-N 432.593 5.768 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2Cc2ccccc2)cc1 12494205 GMTRRTYCTNORLV-LJQANCHMSA-N 434.609 5.802 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 12636290 HYSBSGXPLFJNBM-UHFFFAOYSA-N 437.590 5.381 0 40 IKAB CCC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccccc1 12746440 JHUWOYBSSRCYHA-VWLOTQADSA-N 444.575 5.358 0 40 IKAB Cn1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 12931692 DSGALSYKLZUBOB-UHFFFAOYSA-N 448.636 5.468 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)C12CC3CC(CC(C3)C1)C2 13017961 MPAWDAGHCNDNTF-UHFFFAOYSA-N 442.909 5.015 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)NCCSCc1ccc(Br)s1 13112372 GPZVSLJARSQMFR-UHFFFAOYSA-N 439.227 5.410 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccccc3)cc2c1 13562041 ZZDBABXFIJGFGW-UHFFFAOYSA-N 430.935 6.048 0 40 IKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)c2c1 14128560 KRSPVOVDDZZPRK-UHFFFAOYSA-N 449.554 5.701 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1Cl 14155664 OBSWQWROPNKQQZ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCc1nn2c(c1-c1ccc(F)cc1)N=C(c1ccccc1OC)C[C@@H]2c1ccccn1 14607634 DSYGJBJVOPFZOT-HSZRJFAPSA-N 426.495 5.769 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)cc1 14625057 SSDOYAUXHOQWON-UHFFFAOYSA-N 446.600 5.256 0 40 IKAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(F)(F)F)o1 15881451 GGJPOOKWQUPBRU-UHFFFAOYSA-N 428.414 5.301 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc(Cl)c1Cl 16284487 FZQYUYJMQCEMJS-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 16610663 HKRGAQBXRPRNEI-MBNYPGIVSA-N 438.571 7.784 0 40 IKAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccc(Cl)cc2)cc1 16788904 JHPKEOGOQQBFOB-UHFFFAOYSA-N 447.951 5.765 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1c(F)cccc1F 16834799 CZJCEWHNZUMBQJ-HNNXBMFYSA-N 435.499 6.141 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 17100825 FMXUHEXQHMJLRG-UHFFFAOYSA-N 436.895 5.953 0 40 IKAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1Cl 18021895 OYOMPEBOZRALPP-LBPRGKRZSA-N 431.348 5.344 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18154668 FEXTXOKTCVPOFJ-SMIHKQSGSA-N 444.506 5.174 0 40 IKAB CC(=O)c1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1 18190851 DAIDJCKCVREKRS-UHFFFAOYSA-N 426.307 5.685 0 40 IKAB COc1ccc2oc(C(=O)N3CCC[C@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)cc2c1 19563589 NXROEYWNQGJCTI-ZDUSSCGKSA-N 443.425 5.356 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20045820 RQGDGOLRHIUILD-KRWDZBQOSA-N 432.800 5.854 0 40 IKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140244 NKHDKKVIACTQJO-UHFFFAOYSA-N 444.192 6.223 0 40 IKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(CC(c1ccccc1)c1ccccc1)C3 20610372 ZGUNPJBMRHXNJA-UHFFFAOYSA-N 439.555 6.120 0 40 IKAB biogenic CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 21005506 VFHFZQSONCNLDH-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Br)c1OCc1cccnc1 22107435 HYOJOKBOQLZGCA-UHFFFAOYSA-N 435.406 5.736 0 40 IKAB COc1ccc([C@H]2SCCN2C(=O)Nc2cccc(Cl)c2)cc1Br 28232291 PJJOBWXASZZBOX-MRXNPFEDSA-N 427.751 5.391 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 30850688 ZUUFHXRWOCYZDT-UHFFFAOYSA-N 447.991 6.056 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 36394359 JXPMGXPFZWQYCD-UHFFFAOYSA-N 429.520 5.372 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38851456 XLRUHJRCYFGDHK-QFIPXVFZSA-N 434.580 5.969 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccccc2Cl)CC1 39762016 DIYDZPQLOLBCIU-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB COc1ccc(Oc2ccc(CNC(=O)c3cc4cc(Cl)ccc4nc3C)cn2)cc1 48333974 XLQMNFKNMFXYAG-UHFFFAOYSA-N 433.895 5.323 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 57315766 MPEKBPKAMUBVPR-UHFFFAOYSA-N 446.526 5.653 0 40 IKAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cccc(OCc2cn3cc(C)ccc3n2)c1 60213911 JTZDFBUWGSHBFX-UHFFFAOYSA-N 448.910 5.086 0 40 IKAB CCCN(C(=O)c1ccc(Br)o1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 72300886 KDEXPMPHUZIBTG-FQEVSTJZSA-N 431.305 5.526 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2C[C@@H]2c2cccnc2)c1 78718329 LAJXWCQLQBVGQQ-UXHICEINSA-N 425.410 5.095 0 40 IKAB CN(CC(=O)NC(C)(C)C)C(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2 102835577 NHCCXAHPIDAAAT-JZJYNLBNSA-N 441.575 5.098 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Br 106697170 BFBLTGDRCHRQNO-YVLHZVERSA-N 436.302 5.223 0 40 IKAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br 222666181 LIZZUQIHXPNSLI-NIKGAXFTSA-N 432.387 5.222 0 40 IKAB Cc1cccc(CSCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 222738560 IHMDDDYIOFNNQJ-UHFFFAOYSA-N 430.617 5.162 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 222997667 YNCXCPNNQXZPPC-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 223016078 JFWFHLJIKUAPTQ-QHCPKHFHSA-N 436.939 5.375 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 223067909 NYWLMARYYIOZPS-MOPGFXCFSA-N 447.044 5.295 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 223316730 LLOXZSYSTRCAAP-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB Cc1ccc(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)cc1C 223792175 XYHVKQDWVIWDND-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 223809694 JTRCCLZDVAZUCL-QHCPKHFHSA-N 444.616 5.340 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224006127 DKQCHBDBDGGKTE-MHZLTWQESA-N 442.603 5.094 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 224305181 MTYGMPKTDVXMIK-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224506342 WUINRYSMDAOQAT-MRXNPFEDSA-N 427.903 5.948 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224848948 WPMZACBJSQSADH-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225282406 FINRZTSKVIQPQR-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534804 KZJKQDXMKNKKTR-QHCPKHFHSA-N 434.624 6.171 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 225602934 JRLOFRJABRKDFT-CVDCTZTESA-N 445.003 5.058 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2ccccn2)CC1 257201020 AFVNNCIXEZEVQU-UHFFFAOYSA-N 433.621 5.160 0 40 IKAB CC(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257282692 OUVMWSQKYRUXQB-GCJKJVERSA-N 434.411 5.647 0 40 IKAB CC(C)=CCOc1cc2c(cc1CN(C)Cc1ccccc1)OC(C)(C)[C@H]1CC[C@H](C)O[C@H]21 257336694 YPPOUPVITVBJKN-HPKXWHFBSA-N 449.635 6.691 0 40 IKAB O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccccc2)N1c1ccc(Cl)cc1 408559181 XUGPBBUKXHHDKH-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB COc1c(C(=O)Nc2c(C)ccc3nsnc23)cc2ccccc2c1Br 408573010 LAIMALOBBJZRLH-UHFFFAOYSA-N 428.311 5.176 0 40 IKAB COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1ccc(Cl)c(Cl)c1 408576748 QWYWIUIMYATHDL-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1ccc2nsnc2c1NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 408576884 YKFSZCWCTXYDLX-QPJJXVBHSA-N 430.316 6.218 0 40 IKAB Cc1cc(Br)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1C 408596602 SACUQKSJUDTYDE-UHFFFAOYSA-N 432.170 5.500 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1C 408638156 BMGOZUKROJWTAV-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408641743 MMWISBJJOOAYKW-OAHLLOKOSA-N 449.776 5.219 0 40 IKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(C)c(C)c1 408834508 VEFBVXWTXCJTJW-UHFFFAOYSA-N 429.383 6.394 0 40 IKAB CCOc1cc(Cl)c(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1OC 409039371 GLOFXOUYOVFALE-NDENLUEZSA-N 447.940 5.171 0 40 IKAB COCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409100891 XDMVQAHRFYKXHR-UHFFFAOYSA-N 428.772 5.844 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc2ccccc12 1615055679 KZZOIKVLHMOLJX-UZUQRXQVSA-N 442.481 5.109 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 679124 SPLZTFXZKUSXJP-UHFFFAOYSA-N 435.471 5.784 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3c(C)cccc3C)s2)cc1 1297597 XQMWGPIOSIEROA-UHFFFAOYSA-N 431.608 5.187 0 40 IKAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c12 1378222 YINSNFNNICSGGJ-UHFFFAOYSA-N 429.495 5.252 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 1380049 FBIMSUCQHAGCPA-FQEVSTJZSA-N 446.931 5.581 0 40 IKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1cccc(C(F)(F)F)c1 1388502 ZGBFZXZYCUSBMF-UHFFFAOYSA-N 426.847 6.242 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1C 1847389 RXXCHLNBYAHKHY-UHFFFAOYSA-N 445.518 6.712 0 40 IKAB COc1cccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c1 2079734 JUGVZNWJZRXTLH-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 2100554 XUGISPSHIFXEHZ-XAICIJICSA-N 428.701 7.960 0 40 IKAB CC(C)(C)NC(=O)CN1c2ccccc2C(C)(C)[C@]12C=Cc1c(ccc3ccccc13)O2 2273597 WUEGPUQZTRXHGZ-MUUNZHRXSA-N 426.560 5.654 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2447633 KTPIYDMOYXKXMH-UHFFFAOYSA-N 431.580 6.972 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc2ccccn12)c1ccccc1 2619421 KEAZNGRKGMMIRE-SFHVURJKSA-N 428.439 5.220 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1C 2889772 RFJZZIXYYUWHKD-UHFFFAOYSA-N 429.925 5.489 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)OCC(=O)Nc1c(Cl)cc(Cl)cc1Cl 3239069 FAWXSEQUJYSXHJ-UHFFFAOYSA-N 437.106 5.169 0 40 IKAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 3271820 AXISPWRDXKYXLL-UHFFFAOYSA-N 430.287 5.510 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 3355708 JSMNLCWRIBRZQJ-UHFFFAOYSA-N 448.588 5.378 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 3435759 HYSDNEKHNYHYCG-UHFFFAOYSA-N 444.556 5.588 0 40 IKAB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc2c(c1)OCCO2 3449909 NFTMOGRHPWHMPD-AWEZNQCLSA-N 449.557 5.249 0 40 IKAB COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@H](C(C)(C)C)C2 4184397 DVIFDLUXHOEXSS-OQGGWEOTSA-N 429.626 5.841 0 40 IKAB Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2ccccc2C)cc1 4422213 JATWOAALJJDKBJ-UHFFFAOYSA-N 426.516 5.027 0 40 IKAB COc1ccc(C(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(Cl)c2)cc1 6136566 OMVDYFGJDCSILL-UHFFFAOYSA-N 449.963 5.495 0 40 IKAB Cc1ccc(-c2nnc(CSc3nnc(-c4ccc(C)cc4)n3-c3ccccc3)o2)cc1 6246599 MCNYGNREQOFECL-UHFFFAOYSA-N 439.544 5.893 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCc1cccnc1 8720821 VKXWXNOCVLNYFG-UHFFFAOYSA-N 430.939 5.179 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cc(C)n(C4CC4)c3C)cs2)c(C)c1 8862005 CUXGFVIGUFTUJS-UHFFFAOYSA-N 436.625 5.559 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 8871451 VEYGFXKXZJPHON-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=S(=O)(NC[C@@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 8901732 HQTVWZPLGRCIAJ-DEOSSOPVSA-N 440.634 5.311 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)s2)c1 9120313 UCFXZLDTPOFDSI-SFHVURJKSA-N 442.610 5.162 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CC3)o2)cc1C 9377215 UFZXKDZGXMRZKW-UHFFFAOYSA-N 443.623 5.540 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CNC(=O)c1sc2ccccc2c1Cl 9665163 HNHNDXURHTYUPV-UHFFFAOYSA-N 430.957 5.229 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 9805555 IBTKFKNYHFDQMZ-UHFFFAOYSA-N 443.551 5.144 0 40 IKAB COc1ccc(-c2n[nH]c(S[C@@H](CC(=O)NCc3ccccc3)c3ccccc3)n2)cc1 12176665 QMMAPFDYUWYCOI-QFIPXVFZSA-N 444.560 5.020 0 40 IKAB COc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220062 JEDMKQIBDYFUQI-UHFFFAOYSA-N 435.549 5.006 0 40 IKAB Cc1ccc(-c2nc(-c3ccc(F)cc3)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1F 12462345 SBIPUAACXNGQTR-UHFFFAOYSA-N 427.281 7.371 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 12478588 NKDOSSWHAVMTBZ-RUZDIDTESA-N 446.547 5.121 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(C)n2-c2ccc(C)cc2)c2ccc(C)cc2)cc1 12622988 GYMBTAWABXBNGT-VWLOTQADSA-N 427.573 6.217 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12691294 INQXEDNBVQCRJI-UHFFFAOYSA-N 428.557 5.748 0 40 IKAB Cc1nc(COc2cccc(C(=O)N[C@H](c3ccccc3)c3ccc(Cl)cc3)c2)cs1 12700873 GQNQXTAYUCOKAV-XMMPIXPASA-N 448.975 6.203 0 40 IKAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccc(C4SCCCS4)cc3)n2)C1 12753257 LPMFHYFBJPQQBP-OAHLLOKOSA-N 433.668 5.496 0 40 IKAB COc1ccc2nc(/C=C/c3csc(N(C(C)=O)c4ccc(F)cc4F)n3)sc2c1 12783226 RKRZUWSEFDCBGZ-XBXARRHUSA-N 443.500 5.895 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(SC(F)F)cc2)nnc1-c1ccco1 12825732 XXMKUGZAVATSKE-UHFFFAOYSA-N 438.525 5.240 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(COc2ccc(Cl)cc2)cc1 12905489 WLVKZGCOTULLIM-UHFFFAOYSA-N 436.939 5.247 0 40 IKAB COc1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1OCc1c(C)noc1C 13100804 YDDMIHDRSIFRGW-UHFFFAOYSA-N 436.291 5.543 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccccc1SCc1ccccc1 13676884 WNPPLLBBQCPQMH-UHFFFAOYSA-N 430.573 5.857 0 40 IKAB COc1ccc(-c2cc(-c3sc4nc(C)cc(C)c4c3N(C(C)=O)C(C)=O)on2)cc1 15107983 OCUKBUKZMWYAMW-UHFFFAOYSA-N 435.505 5.143 0 40 IKAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Br)c1OC 15947682 QPICGJYSQHRQCU-XLFHBGCDSA-N 437.359 5.082 0 40 IKAB C(=C/c1ccccc1)\CSc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1 16450940 ORKPAJJLRFADEX-JYLQPTBZSA-N 427.529 5.585 0 40 IKAB Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 16757866 SIXVTTDBCZRMDJ-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)NC3C4CC5CC(C4)CC3C5)o2)cc1Cl 17096261 MOJBYHOYAFIWNK-UHFFFAOYSA-N 428.985 5.337 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19081853 MPCQDPARAQSAHG-UWJYYQICSA-N 434.411 5.504 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(C2CCN(C(=O)c3ccccc3F)CC2)no1 19453344 BAZQILFZLRRTQI-UHFFFAOYSA-N 435.499 5.209 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 19636557 WRMROMGPMDZCBM-IBGZPJMESA-N 442.559 7.149 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1 19641074 ITWGMTPXJQUFSS-UHFFFAOYSA-N 444.531 6.551 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4ccc(CO)o4)ccc3Cl)o2)cc1Cl 20140333 BLXSBRWFBGUDOP-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB COc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1OC 21730655 FPJPTDVEZSNHBI-UHFFFAOYSA-N 443.528 6.248 0 40 IKAB FC(F)(F)c1ccc2c(c1)N(CCCN1CCN(C3CC3)CC1)c1ccccc1S2 22463171 NPYDSZQCCSLZPP-UHFFFAOYSA-N 433.543 5.478 0 40 IKAB in-man Cc1ccc([C@H](c2ccccc2)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 22508427 GMTITNFRUQRUIS-LJAQVGFWSA-N 437.587 5.343 0 40 IKAB CC1CCN([C@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851841 XKIGPGHQWCNRDJ-QGZVFWFLSA-N 428.945 5.231 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 34138821 YAKMPOFBWBYOOA-YKSBVNFPSA-N 432.476 5.016 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)c3ccccc3F)cc2c1 35290188 AYVSOSRZVRXYRV-UHFFFAOYSA-N 433.914 5.882 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1-c1ccc(F)cc1 35910992 VVKMDGVXPOODOH-UHFFFAOYSA-N 430.426 5.836 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccccc4F)o3)cnc21 36395171 DTYPUOVGPVBWRX-UHFFFAOYSA-N 441.466 5.726 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)cc1 59842717 JQUJRMKBFJXIEB-NRFANRHFSA-N 448.569 5.945 0 40 IKAB Cc1cc(Br)sc1-c1nnc(-c2sc(Br)cc2C)s1 68591667 NNNXYEDZCNGDRJ-UHFFFAOYSA-N 436.219 6.137 0 40 IKAB biogenic Cc1cccc(CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)c1 71768722 QZUZMXVGDKJXTI-UHFFFAOYSA-N 443.391 5.810 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 72328476 UVIMYNYJEWRKSI-UHFFFAOYSA-N 447.888 6.145 0 40 IKAB CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 72357466 MGSBPTDWPWBCRZ-QGZVFWFLSA-N 443.548 5.281 0 40 IKAB Cc1ccc2oc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)c(C)c2c1 72398618 ZNZQAZSAOJYLLX-CPJSRVTESA-N 433.596 5.560 0 40 IKAB Cc1nnc(SCc2c(C(=O)Nc3cc(Cl)ccc3O)oc3ccccc23)s1 84296831 FRUUQGQTHWEVGD-UHFFFAOYSA-N 431.926 5.496 0 40 IKAB CC(C)(C)NC(=O)[C@H](c1cccnc1)N(C(=O)c1ccco1)c1ccc(C(C)(C)C)cc1 95593654 JXGIYKRRPGCLFV-QFIPXVFZSA-N 433.552 5.275 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CSc2nc3ccccc3n2CCc2ccccc2)C1 102206389 LVGWCQVVZAEEDT-KDYSTLNUSA-N 447.648 5.798 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 107667149 BGKKRXPAHFQMCP-UHFFFAOYSA-N 438.767 6.964 0 40 IKAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccc(F)cc3)ccc12 215736035 ZLHVBPOFTGWRJV-UHFFFAOYSA-N 447.413 5.836 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 223081732 XOLJVKVDYABLKA-LJQANCHMSA-N 436.777 5.628 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C 223470472 HVOXOGASMRUJOT-SFHVURJKSA-N 433.423 6.008 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223813774 OTSSJKYXWXTSJM-NRFANRHFSA-N 438.637 5.013 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 224018895 VCHYZXRMKWNCNX-UHFFFAOYSA-N 449.359 5.609 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224323918 WCTVNUODMLILRE-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224406881 GWOFZFJXJOQOEB-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224585873 CLTJISSOMHYHFL-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225200946 WIXFJBITXNVBSF-OALUTQOASA-N 429.004 5.167 0 40 IKAB CCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc21 225691504 JFKNTVGGNMKQOS-UHFFFAOYSA-N 442.587 5.035 0 40 IKAB COc1ccccc1Cn1nc(-c2ccc(C)cc2OCC(=O)O)cc1-c1ccc(F)cc1 257300565 RUVJJAWGJYGFDC-UHFFFAOYSA-N 446.478 5.185 0 40 IKAB Cc1csc(Nc2cccc(C3CCN(C(=O)c4nccc5ccccc45)CC3)n2)n1 257334885 YHUCDDHAKJPRJB-UHFFFAOYSA-N 429.549 5.158 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 408596376 RWRBOSLWOWMEGI-UHFFFAOYSA-N 446.197 6.006 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cccc3ccccc23)C(=O)O)o1 408632171 HSUXFGQMOPRFDN-ODLFYWEKSA-N 438.892 5.770 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)cc1 408695376 QGFZXXZDSWFZOY-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB O=C(Nc1ccccc1F)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408975322 AFZWOMTUQLLLDJ-UHFFFAOYSA-N 431.517 6.478 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409120948 UUDQNDBPOYLLJD-UHFFFAOYSA-N 445.968 5.735 0 40 IKAB Cc1cccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)c1 409174290 RADGXYMITCVOME-UHFFFAOYSA-N 447.490 5.742 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Cl 409194941 NJNVEOMPRXRXBA-RWEWTDSWSA-N 439.367 6.469 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409230602 ZXRSJWXIORAMBM-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C)cc1 409408604 KBQNFYSSAURMBS-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)c3cccc(-c4ccc(OC)cc4)c3C)n2)cc1 643587042 PUOZJOVQZQJIGB-UHFFFAOYSA-N 444.556 6.445 0 40 IKAB O=C1O[C@@]2(CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CN1c1ccccc1 1848355723 KAZNFJSKPWVEJZ-XMMPIXPASA-N 438.955 5.170 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)cc2)cc1 683011 QRLLRWRHJXMYHG-WOJBJXKFSA-N 432.520 5.115 0 40 IKAB COc1ccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 783563 JKIBHVCFDONATR-AREMUKBSSA-N 428.532 5.911 0 40 IKAB O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 865912 NXWKUGIKCUDCHF-DGCLKSJQSA-N 442.850 5.216 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cccc(NC(=O)c2ccccc2Br)c1 1100763 YXHVKYMLCHCLOX-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 1326149 HAJQCKVADWLSIM-GFCCVEGCSA-N 425.579 5.058 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3)cc12 1371660 WUEQYGMZDOZFFO-UHFFFAOYSA-N 425.532 5.422 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(C)cc1C 1911836 GEUOBJYOXMROJM-UHFFFAOYSA-N 443.952 5.880 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)sc2c1 2131844 ZLSQMAJABZQEJQ-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CCCCCCCC(=O)Nc1cccc(Cl)c1C 2133735 QKRQFQLDMOGVDT-UHFFFAOYSA-N 435.395 6.918 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n12)CCCC3 2225616 VNAHXMGFQLDECD-UHFFFAOYSA-N 444.582 5.054 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2256714 APOLUTSYWVMFMI-FQEVSTJZSA-N 432.501 5.015 0 40 IKAB Cc1ccccc1-n1c(SCc2cccc(Br)c2)nc2ccccc2c1=O 2375776 DQNMOXMILQJYNN-UHFFFAOYSA-N 437.362 5.749 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 2652099 UUZMHHBDGMQGPO-GOSISDBHSA-N 431.536 5.804 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 2688287 LZXBKBLRFRVLLY-UHFFFAOYSA-N 441.462 5.170 0 40 IKAB Cc1ccc2c(c1)Cc1c(nc(-c3ccc(Cl)cc3)nc1SCc1ccccc1)O2 2716019 YPSUXUNOTCDJFM-UHFFFAOYSA-N 430.960 7.094 0 40 IKAB Cc1n[nH]c(C)c1CCc1nc2c3ccccc3nc(SCc3ccc(Cl)cc3)n2n1 2969623 SETBCWUWGWFMNC-UHFFFAOYSA-N 448.983 5.348 0 40 IKAB O=C(Nc1ccccc1Cl)OCCCc1nc2ccccc2n1C(=O)Nc1ccccc1 3154781 LKQNOLIGTTYPBJ-UHFFFAOYSA-N 448.910 5.951 0 40 IKAB O=C(Nc1cccc2c(NC(=O)c3ccc(Cl)cc3)cccc12)c1ccc(Cl)cc1 3204143 FRQGQARJSKCUHX-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB CCOC(=O)c1cc(C(C)C)sc1NC(=O)COc1ccc2oc3ccccc3c2c1 3314808 NOIFLKZFWXMXBB-UHFFFAOYSA-N 437.517 5.965 0 40 IKAB COc1cc2ccccc2cc1C(=O)O[C@@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 3340108 QSKKIDMQEHKGQY-HNNXBMFYSA-N 432.501 5.156 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)CCc4ccccc4)cc3)sc2c1 3348899 IWIOKXFKRXZZRG-UHFFFAOYSA-N 430.529 5.386 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccccc1C(F)(F)F 3432553 KQEJXPCWRJJDMM-UHFFFAOYSA-N 438.755 5.088 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnnn3-c3ccc(Cl)cc3)c2cc1C(C)C 3493095 RFDMCLGUMQXJJH-UHFFFAOYSA-N 426.929 5.146 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@H]3c3cccs3)sc2n1 8450708 IUWJTIWQRZCDKZ-AWEZNQCLSA-N 438.603 5.610 0 40 IKAB Cc1sc2nc(CSc3ccc(Br)cc3)nc(-n3ccnc3)c2c1C 8705727 YRSHSRMLUKDXJN-UHFFFAOYSA-N 431.384 5.549 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc3ccccc23)Nc2nc3ccccc3n21 8816192 UKXJKKVOXAYGKP-SANMLTNESA-N 430.511 6.226 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 8832435 IZUOHUJGPUKENG-LLVKDONJSA-N 447.025 6.118 0 40 IKAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)c1 8861309 JCCUNPPEAFEUEK-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3cccc4c(Br)cccc34)sc2c1 8904251 IPKRQTOAKVVMKR-UHFFFAOYSA-N 441.306 5.251 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccncc3)sc2c1 9233660 FSUKOXUTGIAENT-NRFANRHFSA-N 439.496 5.164 0 40 IKAB C[C@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 9255918 LBNNTEYWLDZNQJ-YVEFUNNKSA-N 434.348 5.096 0 40 IKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)c1 9304555 GXQRBJAJVQAXCL-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB CCn1c(SCC(=O)Nc2nc(C)c(C)s2)nnc1-c1ccc(Cl)cc1Cl 9328701 DZLULRWHRQNRCA-UHFFFAOYSA-N 442.397 5.076 0 40 IKAB Cc1cc(SCc2cccc3ccccc23)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9346431 MZQFEBIHAYEGAJ-UHFFFAOYSA-N 429.976 7.112 0 40 IKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(C(=O)c2ccccc2)cc1 9354545 YTSJYJUCLQGLJG-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2F)cc1OC 9426360 ROWXVFOMJXEEJC-HSZRJFAPSA-N 431.467 5.193 0 40 IKAB COc1ccc(-c2nc(NC(=O)Cc3c(C)noc3C)sc2-c2ccc(OC)cc2)cc1 9487142 MAFXTXZDVVZRMX-UHFFFAOYSA-N 449.532 5.280 0 40 IKAB CCOC(=O)Cc1c(-c2cccs2)nc2sc3c(c2c1-c1ccccc1)CCCC3 9540465 AIYYOWMIWODTFJ-UHFFFAOYSA-N 433.598 6.676 0 40 IKAB Cc1csc(SCc2c(C(=O)NCCCn3nc(C)cc3C)oc3ccccc23)n1 9584906 OYGVNBPPOPYBNQ-UHFFFAOYSA-N 440.594 5.123 0 40 IKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(Oc2ccccc2)c1 9763711 VBYBADZUOVXAOX-UHFFFAOYSA-N 434.337 6.254 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 9892091 VWJNZNPYUSBMAQ-UHFFFAOYSA-N 433.558 5.489 0 40 IKAB COc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 11614449 AQHOKBCSULPWSS-QHCPKHFHSA-N 445.902 5.243 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC 11866269 TUVGTXRRFPMPOL-UHFFFAOYSA-N 428.488 5.421 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OCC 12062897 VWNKHFAPEPOMAB-QHCPKHFHSA-N 435.520 5.244 0 40 IKAB Cc1ccc(-c2nc(SCCCC(=O)c3ccc(F)cc3)[nH]c2-c2ccc(C)cc2)cc1 12555616 IPASBZFJSXHAFB-UHFFFAOYSA-N 444.575 7.255 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@H]2CCCC[C@@H]2C1 12598911 UOQOAZDREOLCDO-FGZHOGPDSA-N 429.564 5.259 0 40 IKAB CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@H](c1ccccc1)c1ccc(F)cc1 12733780 PQRPMCNSBHXZJY-HSZRJFAPSA-N 445.567 5.629 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1Sc1ccc(Cl)cc1 12874757 CWRSGTNFCZBNIV-UHFFFAOYSA-N 437.996 5.281 0 40 IKAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 13096609 JIVGVTRREBSZOB-INIZCTEOSA-N 440.590 5.004 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15391065 MDDPAALPJWWNAD-FQEVSTJZSA-N 434.989 5.035 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 15981387 MPRFDRZXBKVEFY-LJQANCHMSA-N 448.828 5.709 0 40 IKAB Cc1cccc(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 16033439 ICZXFVRJGVNCIX-LJQANCHMSA-N 425.554 5.479 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc2cc(Cl)c(C)cc2s1 16284216 VJHQWBBJXKEFKY-ONEGZZNKSA-N 427.740 6.225 0 40 IKAB O=C(COc1cccc2ccccc12)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17095260 UIJRHIZQSORQOS-UHFFFAOYSA-N 427.283 6.529 0 40 IKAB CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17099433 YDEAPSVKBFXJAB-UHFFFAOYSA-N 435.332 5.648 0 40 IKAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 19164968 VDJIEXSFOYFOSM-UHFFFAOYSA-N 440.455 5.007 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373215 KZLGVXDNXDHCAT-WMZHIEFXSA-N 425.536 5.302 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3cc(-c4ccc(OC)cc4)cc(C)n3)CC2)cc1 19691086 AEQAYGAYOKVEJR-UHFFFAOYSA-N 444.575 5.622 0 40 IKAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 19694234 ZKOKIJONMJTXHG-QFIPXVFZSA-N 446.570 5.078 0 40 IKAB O=C(c1ccccc1Cc1ccccc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 21532969 QKRURBOVTBZDFV-UHFFFAOYSA-N 439.481 5.044 0 40 IKAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O 21936152 VUHSNAVHHDKHNF-VQTJNVASSA-N 448.592 5.213 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Nc1ccc2nc(C)n(-c3ccc(F)cc3)c(=O)c2c1 22499795 JBWNLOUEVHUWRW-UHFFFAOYSA-N 436.874 5.439 0 40 IKAB NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 27564093 ASHAGPCLJNISKM-HHHXNRCGSA-N 431.495 5.019 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(-c2ccccc2-c2cccc(C(=O)O)c2)s1 27914191 QMJPLEBAEHAFKS-UHFFFAOYSA-N 449.919 5.405 0 40 IKAB O=C(Oc1ccc(Cl)c2cccnc12)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 32666039 UNAOSFZEUZQDSC-XVPJOVGPSA-N 438.955 5.001 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O 34721560 IYTUUYXFTVWQJB-RSZPVBOMSA-N 438.549 5.156 0 40 IKAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1cccc(C(F)(F)F)c1 35404398 BCQSMKCOKJDWHP-CXUHLZMHSA-N 425.453 5.622 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4cccn4)cc3)c12 36616525 XBGJCUDKRQJVMP-UHFFFAOYSA-N 434.503 5.044 0 40 IKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)[C@@H]2CCCN(C(=O)c3ccco3)C2)cc1 40040831 RWRQZHGKBIKOOR-QGZVFWFLSA-N 438.911 5.525 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3Cl)[C@@H]2c2ccc(C(C)C)cc2)cc1 40485351 KLNLKQHOKRSDCK-RUZDIDTESA-N 431.963 6.825 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 44855231 IFCLWMMMNKJXTD-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB CCCCOc1ccc2oc(C)c(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1 46086283 CRVUXSXIUHIBGU-UHFFFAOYSA-N 425.834 6.845 0 40 IKAB C[C@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(NS(C)(=O)=O)cc1 48285647 ULOALJPVVTZJMA-AWEZNQCLSA-N 438.471 5.188 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccc(Cl)cc1 50011496 WGGNRXHSFYIZNM-QYQHSDTDSA-N 440.286 5.625 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc4c(c3)OCCO4)cccc2c1Cl 57316185 ZAFXVKIYRJKFEG-UHFFFAOYSA-N 444.940 5.107 0 40 IKAB CC(C)OC(=O)/C=C/c1cc(Br)ccc1OCc1ccc(C(C)(C)C)cc1 62715269 DNVJPMOOCSGOGA-MDWZMJQESA-N 431.370 6.290 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)c(C)c1 67297250 FXUMFORXDNFNMM-OLFWJLLRSA-N 436.433 6.553 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2nc(-c3ccccc3)no2)c1 95947047 UELGZRKZPODFFP-LJQANCHMSA-N 426.520 5.458 0 40 IKAB COc1ccccc1[C@@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 100461791 ABUKBCAATVFRLI-WVAUJHLCSA-N 427.544 5.441 0 40 IKAB COCCCn1c(COC(=O)c2ccc(C)cc2)cs/c1=N/c1cccc(Cl)c1 102929274 WATIDKXUOGVTRO-ZNTNEXAZSA-N 430.957 5.137 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 216288843 RPUUJJDFVAYROZ-SSEXGKCCSA-N 446.594 6.467 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@H]3[C@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222638558 AFDUWHIQDBFDLX-MRDSIPGCSA-N 432.593 5.395 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 222924714 HXPDHOWGWKLELV-HXUWFJFHSA-N 448.994 5.415 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223375870 HBRGYGJTMJWREL-JWQCQUIFSA-N 440.572 5.054 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COc1ccccc1 224092173 LKFSYLUWRSVRMW-UHFFFAOYSA-N 441.552 6.678 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224726633 FXIJXSZJYYNKHL-QHCPKHFHSA-N 448.651 5.917 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 224940146 XILBAZSRDUQFBA-QGZVFWFLSA-N 449.422 5.432 0 40 IKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 224949258 RRAYCSRSQURFDI-UHFFFAOYSA-N 434.757 5.107 0 40 IKAB Cc1cccc(CSCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225337570 NCNURILEKJKMDI-UHFFFAOYSA-N 438.687 6.507 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 225572398 FVJBUYSJVDRTDQ-LJQANCHMSA-N 436.983 5.368 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 225606121 UXIBHRRLJVNZBN-SIKLNZKXSA-N 445.003 5.058 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225723079 APVBAEVAOASQBZ-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(C(C)C)cc3)no2)cc1 225836808 LGGIIVSAYYSJRC-UHFFFAOYSA-N 435.524 5.388 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3ccccc3Cl)c(-c3ccccc3)c2c1 257225457 FGGZGAFLABNGSN-UHFFFAOYSA-N 432.907 5.524 0 40 IKAB CC(C)CCC[C@]1(C)Oc2cccc(OCc3ccc(F)cc3)c2[C@@H]2O[C@H](C)CC[C@H]21 257295662 QZINMSOFJZEKHY-GIYNMQSDSA-N 426.572 7.238 0 40 IKAB COC(=O)c1c(NC(=O)CSCc2c(Cl)cccc2Cl)sc2c1CCC2 408562999 HMDFFLXZCHFQFJ-UHFFFAOYSA-N 430.378 5.202 0 40 IKAB Fc1ccccc1N1CCN(C(=S)c2cccc(OCc3ccc(Cl)cc3)c2)CC1 408577294 SGDFIHWGENEEIY-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)sc2n1 408636012 KNSZEKMEDROMBP-UHFFFAOYSA-N 436.965 5.448 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(Cl)ccc2C)cc1 408694286 IKWGKDQEWAUIIL-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2C)cc1 408724221 IEPVHXYRTJYNEA-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1C 408973952 RDZMNCYMZQYORL-SANMLTNESA-N 430.573 5.372 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409063698 BCQSDCCYLFVNPZ-MFOYZWKCSA-N 440.323 6.156 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409113162 GWXRLMAXALLGDY-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB CCc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409113173 GZEOBGGNWWABGX-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409121817 YCZXDOITFWCAPW-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccc(C)c(C)c4)s3)cc2)cc1 409175285 YWSQDFZFEUBFQL-UHFFFAOYSA-N 428.557 6.567 0 40 IKAB N=C(Cc1cc(Br)ccc1Br)c1ccc(Br)cc1O 575436310 QISOTZAXYDIHKL-UHFFFAOYSA-N 447.952 5.290 0 40 IKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)O)c(COc2ccc(C(C)(C)CC)cc2)n1 585265459 QQWLWGLMIZBMES-UHFFFAOYSA-N 447.575 6.811 0 40 IKAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cccnc3)CC2)C1 643574015 XDOZPMYUPMNIOF-UHFFFAOYSA-N 449.639 5.067 0 40 IKAB O=C(c1ccc(Cl)cn1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643578086 DAJOFYDWXABIKE-UHFFFAOYSA-N 437.927 5.518 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 1061715 XNNGEGFUCHDQSH-XWYWGPMTSA-N 427.931 5.393 0 40 IKAB COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 1178222 FUMSQWRSTOZJQN-GXDHUFHOSA-N 442.446 5.118 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 1224675 SEPAGVYBMRLPGL-UHFFFAOYSA-N 439.650 5.416 0 40 IKAB Cc1cc(C)c(O)c(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)c1 1622595 QOTGVYBPXSCGMG-UHFFFAOYSA-O 428.555 7.287 0 40 IKAB Cc1c(OCc2cccc(Cl)c2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2159223 CHHIZMGVPQVFJV-UHFFFAOYSA-N 444.870 6.107 0 40 IKAB biogenic c1ccc2c(c1)C[C@H](O[C@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 2187345 HCUKEBCEJKFZER-ZEQRLZLVSA-N 438.617 7.900 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccc(Cl)c2)cc1 2232376 QHCWMHDAOMAFES-UHFFFAOYSA-N 448.035 7.486 0 40 IKAB CCCCCCn1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2255310 GAKZJQGBJGUUEP-UHFFFAOYSA-N 435.959 5.330 0 40 IKAB Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2292976 XBKFCRKKMXXKDO-UHFFFAOYSA-N 445.954 5.430 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)cc1 2325414 GDKWDQXPNJWAKI-UHFFFAOYSA-N 439.924 5.223 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C34C[C@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 2684020 PJZINXFVGMETRK-XICVLRSMSA-N 437.583 6.737 0 40 IKAB Cc1ccccc1N[C@@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl 3147784 ZGOSMXWAOYJYSG-HNNXBMFYSA-N 436.564 5.296 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2cccs2)c(C(=O)c2ccccc2)c1 3185974 AAMGLAPYIYMMEX-UHFFFAOYSA-N 440.524 5.792 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 3270329 KKPCIKRRAOTZGB-SXOMAYOGSA-N 438.548 6.687 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)C(=O)CC[C@]54C)[C@@H]2[C@@H]1OC3 4903516 XGDVSJLOTVQNKY-KDEVIXCCSA-N 440.712 7.446 0 40 IKAB Clc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccccc3Cl)C2)cc1 8427279 RDTKHQNQWPIAGQ-NRFANRHFSA-N 446.175 7.112 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 8453352 UZDUOODWACQMEI-GFCCVEGCSA-N 441.163 5.741 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756175 BTEZETIOJDHXQO-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccc(F)cc1 8831223 TYEOQWDQKKLRPT-UHFFFAOYSA-N 447.539 5.118 0 40 IKAB CC(C)n1c(S[C@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O 8882354 HBXWPZVDEJFYLG-CYBMUJFWSA-N 426.929 5.534 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)c(C)c1 8910011 ONTMACOVSRUVIR-UHFFFAOYSA-N 439.584 6.084 0 40 IKAB Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](c2ccc(C(C)C)cc2)C1=O 9130182 UXJVKMZKEWLYKF-VWLOTQADSA-N 432.951 5.893 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3ccc(Br)cc3)ccc2Oc2ccccc21 9134677 GRUMWFYIGNCNIO-UHFFFAOYSA-N 437.293 5.474 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 9232634 HGPNYHNXMXCPQB-MDBUFAAASA-N 436.360 6.407 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 9234265 DZSYBWLZCNYYNT-JCVMYPOKSA-N 425.370 6.207 0 40 IKAB CCn1c(CNC(=O)c2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(C)cc1 9262594 WDLGQDYFJJWPNW-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB c1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 9282114 IIVCNWHGZWASCQ-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)n1c(SCc2ccccc2)nc2ccccc21 9327373 MYFPQEMJWCZPNS-BEFAXECRSA-N 431.388 6.560 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3c(-c4ccccc4Cl)noc3C)s2)cs1 9336451 NEJSNWDQKRABTE-UHFFFAOYSA-N 429.954 5.727 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)s1 9354744 NJHJJOGOIUGEJF-UHFFFAOYSA-N 434.167 6.193 0 40 IKAB Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(C)c(C)c2)cc1 9371641 NUPJWEZNROVKQJ-XMMPIXPASA-N 429.516 5.091 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1coc2cc(C)cc(C)c12 9430869 CJIIBMNSEMYCNJ-UHFFFAOYSA-N 433.529 6.136 0 40 IKAB Fc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 9515763 XVUPNRMJEMPZGK-MRXNPFEDSA-N 426.542 5.165 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 9591702 SBIWIHAYGSGLBU-LJQANCHMSA-N 427.500 5.995 0 40 IKAB COC(=O)c1ccc(CSc2nnc(SCC(=O)c3cc(C)c(C)cc3C)s2)o1 9632995 VFIURHVDASZGST-UHFFFAOYSA-N 448.591 5.110 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1C 9633252 YFMBAUKOPHVGRR-UHFFFAOYSA-N 440.883 5.075 0 40 IKAB CCCCCCc1cc2cc(-c3csc(Nc4cccc(C)c4)n3)c(=O)oc2cc1O 9635907 SZHVQGUKPRYJMT-UHFFFAOYSA-N 434.561 6.797 0 40 IKAB CC(C)CC(=O)Nc1ccc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)cc1 9672557 QHVVIKKHJGVOJM-UHFFFAOYSA-N 434.565 5.104 0 40 IKAB Cc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1C1CCCCC1 9690543 JSQUALWDOQEZRQ-UHFFFAOYSA-N 444.620 5.684 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl 12249519 MNUVSNUYZIHJCP-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB CC(C)(C)OC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)c(Cl)c1 12555741 LQKOCHZICIYLSZ-UHFFFAOYSA-N 437.348 5.126 0 40 IKAB Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)NC1CCCCC1 12704180 DWWYHDJYZWHCSH-UHFFFAOYSA-N 445.607 5.540 0 40 IKAB Cc1cccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1 12855910 CELGLCDEFHBECI-UHFFFAOYSA-N 430.957 5.409 0 40 IKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)C3CCN(C(=O)C4CC4)CC3)sc2c1 13003690 ZDPFZAGARGIHRU-UHFFFAOYSA-N 447.604 5.095 0 40 IKAB O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1ccccc1-c1ccccc1 13084193 WSIRBUVGPIGTLR-UHFFFAOYSA-N 431.495 5.038 0 40 IKAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3ccc(C(C)C)cc3)c2c1 13570312 KIBFUKHRZRTHQG-RUZDIDTESA-N 428.536 5.119 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13616400 JYHXHZALXFOZMW-FYYLOGMGSA-N 435.321 5.700 0 40 IKAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1F 13685680 WERJCEBPLIGENA-UHFFFAOYSA-N 428.529 5.048 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 14734831 FPLGHQNJJUJGJN-SFHVURJKSA-N 441.483 5.377 0 40 IKAB Cc1ccc2nc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2c1 16348585 LIINSITVRLTUAB-UHFFFAOYSA-N 434.923 5.930 0 40 IKAB O=C(Nc1cccc(Cl)c1)SCCOCCSC(=O)Nc1cccc(Cl)c1 16399025 MFVQLFNONLCSNL-UHFFFAOYSA-N 445.393 6.240 0 40 IKAB Fc1ccccc1COc1ccc(Br)cc1CNCc1ccc2c(c1)OCO2 16450019 CKMRRVVTVXFYTA-UHFFFAOYSA-N 444.300 5.186 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(Cl)c1 17100035 QYIAKWJWZKKKTK-UHFFFAOYSA-N 436.408 5.665 0 40 IKAB c1ccc(-n2ncc3c(Nc4ccc5c(c4)OCO5)nc(NC4CCCCCC4)nc32)cc1 17200419 RJFIRKQJHRXHSI-UHFFFAOYSA-N 442.523 5.423 0 40 IKAB O=C(C1CCCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294105 XKXIURINZAOAFH-QFIPXVFZSA-N 431.515 5.275 0 40 IKAB Cc1cccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3cccc(C)c3)c2Cl)c1 19635172 BYAVLTOOHODNDO-UHFFFAOYSA-N 441.987 7.600 0 40 IKAB C[C@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C12CC3CC(CC(C3)C1)C2 19639489 FQBBCQDMDDGDSG-PXRHCINRSA-N 443.941 5.544 0 40 IKAB COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC 20105967 WCIURMORVBFBIB-UHFFFAOYSA-N 425.575 5.727 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 20456846 XWNPWGLDKMTZTE-NRFANRHFSA-N 430.617 6.463 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)c1 22618702 WCMPTTUXJZFFMB-AWEZNQCLSA-N 442.566 5.034 0 40 IKAB COc1ccc(CCNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1OC 26688181 WEJXXHSJIWCSGU-UHFFFAOYSA-N 444.767 5.851 0 40 IKAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 28288631 SGGDEHCXUMXTID-HXUWFJFHSA-N 438.955 5.020 0 40 IKAB Cc1ccc2c(C)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)oc2c1 28291762 STHFMKCTWJMSRM-HSZRJFAPSA-N 434.580 5.150 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1c(N)n(C(=O)c2ccc(C)c(C)c2)c2ccccc12 28535476 CMTXRNAZONFWCF-UHFFFAOYSA-N 447.922 5.443 0 40 IKAB Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccc(F)cc2)o1 32925239 IEJBHLYESKCJPS-IBGZPJMESA-N 427.273 5.481 0 40 IKAB Cc1cccc(-n2c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@@H]3C(C)C)nc3ccccc32)c1 34745309 YVMJNAXKVMSTOK-XZDHIHRUSA-N 436.621 6.430 0 40 IKAB O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 35400328 PQUCHPACRCAJLH-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB CCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 35648070 ZRDLAWZWGXDWJA-UNOMPAQXSA-N 443.355 6.898 0 40 IKAB O=C(NCCSCc1ccccc1Cl)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38837373 OTZMVAIKGMZTRE-GOSISDBHSA-N 437.436 5.255 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 44839411 AQCHFCIHGVOQEP-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1OC 49005014 RGFCRFKKNRWXAK-KRWDZBQOSA-N 434.540 5.104 0 40 IKAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3ccccc3)c2)cc1)c1ccc(Cl)cc1 49422258 PQXGTKCHIFFVLG-UHFFFAOYSA-N 430.895 5.089 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)C(F)(F)F 57316770 ARLHPTJFBHFVOI-UHFFFAOYSA-N 435.199 5.911 0 40 IKAB CC(C)c1c(C(=O)NC[C@H](c2ccccc2)C(C)C)cnn1-c1ccc(C(F)(F)F)cn1 58774904 NYSIXSWXRHCEDI-IBGZPJMESA-N 444.501 5.579 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 59294159 CEMASBWZTALXEC-SAPNQHFASA-N 434.495 6.969 0 40 IKAB CCc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 64949909 XFIGCYUOVUZUDZ-UHFFFAOYSA-N 428.879 5.319 0 40 IKAB CC(C)Oc1ccc(-c2nc(C(=O)Nc3cc4c(cc3Cl)OCCO4)cs2)cc1 72055774 JKTNLCIFSSZSKE-UHFFFAOYSA-N 430.913 5.274 0 40 IKAB Fc1ccc(Br)cc1CNC1(c2cccc(Br)c2)CCOCC1 78710803 XLIKIRSLANICMA-UHFFFAOYSA-N 443.154 5.146 0 40 IKAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 94992817 AWHQWAPZKNXRGB-XMMPIXPASA-N 449.595 5.461 0 40 IKAB CCOc1cc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)ccc1O 96767532 IFCOVKOVSWCROZ-XUDLPTGHSA-N 431.532 6.186 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 100945539 CKHWGQAGHQQPTC-CYXNTTPDSA-N 434.495 5.199 0 40 IKAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 101487122 BZNIIOGSANMIET-JRNSEXLBSA-N 442.728 7.238 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(C(C)(C)C)cc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 102680953 APXHILLUAHEILA-VPUSJEBWSA-N 442.559 6.244 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N5CCCC5)=CC[C@]4(C)[C@H]3CC[C@@]21C 118923596 RGRNUVRIJBGXEL-OMMWMSRCSA-N 439.772 8.697 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccccc2-c2ccccc2)cc1NC(=O)C(C)C 223255256 OANFURDDFJGHGC-UHFFFAOYSA-N 440.590 5.471 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223315524 SACAOULGSAVZSI-NRFANRHFSA-N 447.044 5.463 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224224079 IINSQTUCSXYDGA-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 224240736 RLZKENDLGFZVNM-QHCPKHFHSA-N 444.978 5.196 0 40 IKAB Cc1ccccc1CSc1nnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)s1 224993354 NSRGQIRPFOZBSA-UHFFFAOYSA-N 433.986 5.588 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 225036400 MNVHHULVYGGUQF-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225282528 YMIOXNKEUJYIDO-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225352327 FOHXLARDABCOJF-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4C(=O)c4ccccc4)cn1c23 225862668 MOSHYYCQGDKEAB-HNNXBMFYSA-N 442.902 5.255 0 40 IKAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2c3ccc(Br)cc3C[C@@H]2C)n1 225916010 GGYQDSTZQAFORA-HNNXBMFYSA-N 437.341 5.191 0 40 IKAB CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 253623359 MJVCJGGOYKSADY-SRVPGQGKSA-N 430.673 5.640 0 40 IKAB biogenic CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl)c1ccccn1 257316124 VEFQXRJPEHGJOG-KNQAVFIVSA-N 448.438 6.037 0 40 IKAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408640741 IPOKNEQWXJTATP-INIZCTEOSA-N 436.895 5.133 0 40 IKAB Cc1ccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)cc1C 408668298 DOKDMJZQXGVOHU-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408768881 KURGVGJQBJGPKS-HHHXNRCGSA-N 438.552 5.866 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Br)cc2)o1 408801852 VZBLFSNGTDYDDL-UHFFFAOYSA-N 444.305 5.611 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1ccc(Cl)cc1 409110370 VJIWKHIKOSMNJN-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB CCc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 409111884 CWKUNJAGFQNTGD-UHFFFAOYSA-N 440.399 7.096 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409171386 AFBRWVIAXKEBNA-AREMUKBSSA-N 434.605 5.124 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@@](O)(C(F)(F)F)[C@@H]2C1 409342373 BQABZZAENBIRHY-SXGZJXTBSA-N 430.898 5.564 0 40 IKAB Cc1ccc(OCc2nc(C(C)C)c(-c3ccc(Br)cc3)cc2C(=O)O)cc1 585264987 AIKUSALSYBCQOZ-UHFFFAOYSA-N 440.337 6.220 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCc1ccc2c(c1)OCO2 647988 CMPXTYMQYUCYNG-UHFFFAOYSA-N 430.891 5.522 0 40 IKAB CCC(=O)N(CCc1ccc(OC)c(OC)c1)c1nc(-c2ccc(Cl)cc2)cs1 932808 HBEGRWCPYOVMMA-UHFFFAOYSA-N 430.957 5.466 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(Br)cn1 1036351 NCSUNQSJNMKANQ-UHFFFAOYSA-N 427.085 5.367 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2cccn2C)cc1 1341470 WTYPVUPAYMFOMR-VWLOTQADSA-N 449.620 5.161 0 40 IKAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NCCC3=CCCCC3)c2c1 1367935 QVNFBHAJIZMZQV-UHFFFAOYSA-N 431.605 5.958 0 40 IKAB COc1ccc(-c2cc(N)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 1415869 HNEZTKIDMAZXRO-UHFFFAOYSA-N 427.327 5.016 0 40 IKAB COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CCN2C(=S)Nc2ccccc2)cc1 1443621 PTXNJDNFUSTBJV-XMMPIXPASA-N 434.561 5.057 0 40 IKAB CCCC(CCC)NC[C@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 1568030 WFIGIHLIIHVMGS-IBGZPJMESA-N 448.451 6.378 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 2069827 GVARCIAPVXQICX-SFHVURJKSA-N 441.015 6.343 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 2156402 FKWXZHXWPHYBQI-VWLOTQADSA-N 439.511 5.206 0 40 IKAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccs2)N1c1nc2ccc(F)cc2s1 2237767 FETORBIUKSMCSN-SFHVURJKSA-N 434.473 5.353 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 2396265 IMPMYGDEZLIRCF-UHFFFAOYSA-N 444.969 5.341 0 40 IKAB O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(Nc3ccc4c(c3)CCC4)oc2c1 2625071 UDSZHZHVDUGCFX-UHFFFAOYSA-N 439.924 5.514 0 40 IKAB CSc1nc2ccc(NS(=O)(=O)c3ccc(Cl)c(C(F)(F)F)c3)cc2s1 2637427 PYQFTBANKHWGQO-UHFFFAOYSA-N 438.905 5.491 0 40 IKAB C[C@@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 2658333 DYOMKSKGMQGFNN-FQEVSTJZSA-N 432.332 5.084 0 40 IKAB c1ccc(-c2ccc(-c3csc4ncnc(Nc5ccc6c(c5)OCCO6)c34)cc2)cc1 2679640 IDCOKCPREYEZGT-UHFFFAOYSA-N 437.524 6.540 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(C)cc3)cn(Cc3ccc(Cl)cc3)c2cc1OC 2691217 JBFNUSCXVAYSLA-UHFFFAOYSA-N 447.918 5.260 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc(OC)c(OC)cc32)cc1 2691389 KVBNJWMHLCMMRR-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OCc1cccc(C)c1 2740006 SORRSKZGPKQMHE-HZHRSRAPSA-N 427.500 5.626 0 40 IKAB COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCC6)cc2)cc1 2786135 WRIOXABIEJXXBO-UHFFFAOYSA-N 428.517 5.082 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1c(OCc2ccccc2)ccc2ccccc12 3016858 MBXOZMBWABXYTI-JLPGSUDCSA-N 439.898 6.417 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCC(=O)Nc3nc4ccccc4s3)s2)cc1 3291254 KYRYRWRWLFXEJD-UHFFFAOYSA-N 441.607 5.746 0 40 IKAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCN3CCCCC3)CC[C@@H]12 4082329 FKAJEUFWOXAABF-FRXWOFFRSA-N 429.645 5.386 0 40 IKAB biogenic Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)cc1C 4911967 HLERQKOYOVDVKU-FQEVSTJZSA-N 428.576 6.402 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cccc(C)c3[nH]c2=O)C2CCCCC2)cc1 6134871 VSLFKHOWSURAIL-UHFFFAOYSA-N 433.621 5.931 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)COc3ccc(C(C)(C)C)cc3)s2)cc1 8440059 AAUDKQSENMANJR-UHFFFAOYSA-N 427.595 5.454 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1 8590809 DYTTUNOZZCTITD-UHFFFAOYSA-N 445.935 5.930 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(OC(F)F)cc2)N2CCCC2)c1C 8763381 NUUNZBVMYBPLNH-HXUWFJFHSA-N 446.519 5.997 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 9232633 HGPNYHNXMXCPQB-OTGIAGGSSA-N 436.360 6.407 0 40 IKAB Cc1c([C@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 9307081 OCNHOKFBEGVRGQ-LBNVMWSVSA-N 436.599 6.558 0 40 IKAB O=C(/C=C/c1sc2ccccc2c1Cl)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9385533 LWESICYVUAHWQP-MDZDMXLPSA-N 437.952 5.075 0 40 IKAB CC(C)[C@H]1C[C@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 9420533 VFJFJHQLZRMSMM-SXOMAYOGSA-N 441.059 5.916 0 40 IKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCc1cccs1 9550089 AMWBRSJJZBDQJT-DEOSSOPVSA-N 446.528 5.695 0 40 IKAB Cc1cccc2sc(NC(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)nc12 9627911 NUYGODRVXZGXKL-UHFFFAOYSA-N 442.953 5.148 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 9835121 PCERPPQBFVRIRB-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cc(-c3ccccc3)nc(C)n2)sc(C)c1C 12017036 QRYOAUMHTFIVNJ-UHFFFAOYSA-N 441.578 5.038 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12219824 LXZDXQKICGMAMX-ZDUSSCGKSA-N 436.503 5.229 0 40 IKAB CCCCn1c(-c2cccc(C(F)(F)F)c2)cs/c1=N\c1ccc2[nH]c(=O)[nH]c2c1 12561507 UIICFDJHUMYWLV-QQTULTPQSA-N 432.471 5.438 0 40 IKAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12812575 NCLOZZNLHGHJNW-INIZCTEOSA-N 445.544 5.097 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)C3)nc2c1 12879513 REQGIVUAXJJKCW-CYBMUJFWSA-N 436.865 5.955 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 13115916 ORRRXXXJJBWJMT-INIZCTEOSA-N 449.507 5.747 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccccc1 13955579 VFRCBCKRGZLQNR-XRHLQHRESA-N 437.543 5.289 0 40 IKAB Cc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960692 KEASVSRYEVQFBV-UHFFFAOYSA-N 432.970 7.600 0 40 IKAB COc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Br)cc1 14944060 QYTFMDCEKUTDIZ-UHFFFAOYSA-N 434.399 5.444 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4cccc5ccccc45)cs2)[C@H]3CCC1 15319775 UREPBFSARWCEKH-SANMLTNESA-N 435.596 7.124 0 40 IKAB CC(C)(C)[C@@H]1CCC[C@H]2C1=NN(c1nc(-c3ccc(F)cc3)cs1)[C@@]2(O)C(F)(F)F 16957536 KKBBMOZXYZHLCD-SIFCLUCFSA-N 441.494 5.839 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 17095837 ONDQNCPGYURNRU-MRXNPFEDSA-N 428.488 6.032 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 17135505 BIDSUUBFDFJHCW-UHFFFAOYSA-N 445.548 5.381 0 40 IKAB Cc1ccc2c(c1)C(=O)CC1(CCN(C(=O)c3cc(C)nc4ccc(Cl)cc34)CC1)O2 19218273 XEFLXWHZWVICJC-UHFFFAOYSA-N 434.923 5.145 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 19369003 OSFNIQQGIYBVJW-HJOGWXRNSA-N 437.008 5.532 0 40 IKAB CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 19688346 KZKWDZNWFQYCGP-HSZRJFAPSA-N 428.502 5.553 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccc(NC(C)=O)cc3)c2)cc1 19690703 MSTMCTFMVIRMEQ-VWLOTQADSA-N 429.520 5.001 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140424 CMZVKZQUAZNWSD-UHFFFAOYSA-N 441.842 5.752 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccc(F)cc1 22079428 IKEWYGXLFKFDCR-UHFFFAOYSA-N 448.329 5.689 0 40 IKAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2NC1=O 23057832 HTMCEMPZQJWWLE-CYBMUJFWSA-N 426.394 5.344 0 40 IKAB O=C(NCc1cn2ccccc2n1)c1sc2cccc(F)c2c1COc1ccccc1 23754895 REEPVJRUXLKPQA-UHFFFAOYSA-N 431.492 5.197 0 40 IKAB O=C(CSc1ncnc2sccc12)NCc1ccc(Oc2ccc(F)cc2)cc1 25056432 NKBXAVBWLIHXBM-UHFFFAOYSA-N 425.510 5.031 0 40 IKAB CC(C)(C)c1ccc([C@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 25719534 JZQOEUZYAMGYPE-SQJMNOBHSA-N 449.425 7.597 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)Cc2nnc(-c3ccccc3)o2)cc1C 27375673 ZMRXNMQOEOMYRE-UHFFFAOYSA-N 449.558 5.838 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)cc1 27792718 XJQFEAHLZIYLJP-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc2nc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)sc2c1 27827035 ZVJPCVDEQZXQFS-UHFFFAOYSA-N 440.775 5.147 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Br)c1 34697049 KONPKAPRIZFCSL-UHFFFAOYSA-N 443.316 5.526 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 36610878 TWKMCDHWTSQHIJ-BRHPATDUSA-N 442.640 6.922 0 40 IKAB biogenic Cc1c(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cnn(C)c3C)c2Cl)cnn1C 36611564 STWCOUZSYRDHOK-UHFFFAOYSA-N 435.746 5.250 0 40 IKAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1 40033654 DYLYDZLEIUOJMP-HYBUGGRVSA-N 438.618 5.162 0 40 IKAB COc1ccc(-c2csc(CCNC(=O)c3cc(-c4ccccc4Cl)on3)n2)cc1 48325436 QPWKPRGRUMNOLJ-UHFFFAOYSA-N 439.924 5.100 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 49422229 ZXVWVHWMSYKXLU-UHFFFAOYSA-N 448.885 5.229 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)Nc1ccccc1 59461541 FJFPLODLDVUFLQ-UHFFFAOYSA-N 426.494 5.253 0 40 IKAB Fc1cccc(-c2nnc(SCc3cc(Cl)ccc3Cl)n2-c2ccccc2)c1 59497622 AKVSWQZODNBCEX-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB C[C@@H](Nc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 65577398 KYSCZITWDIWJOI-JPYJTQIMSA-N 431.561 5.014 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72214914 YGECXFBHTMSFDD-OAQYLSRUSA-N 439.556 5.705 0 40 IKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(C(=O)Sc3ccc(Cl)cc3)cc2)n1 91695116 YCVSYNWODCKWLS-UHFFFAOYSA-N 436.886 6.419 0 40 IKAB O=C1C2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)C1[C@@H](c1ccccc1)N[C@H]2c1ccccc1 97797809 ITTQAMYBEGYMAS-YDUVBQQJSA-N 444.578 5.960 0 40 IKAB in-vitro O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 106937309 PXJJKLJKCJJZCP-YIXXDRMTSA-N 436.536 6.168 0 40 IKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)cc1 106955132 SCTSAVHQTTWTKY-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@H](C)CC 214346656 GQCIIRKSDZTMGG-NWGMWSOJSA-N 429.513 5.638 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Br)cc2Cl)c1 218946232 BSFOKKXHOZCLNS-UHFFFAOYSA-N 440.765 5.018 0 40 IKAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222849084 CFFPAYBQLDBDOB-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCCC2 222956065 XESGBXQDMYWYGS-MRXNPFEDSA-N 438.365 5.737 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 223009243 OYLLCPWGNYKKBG-NRFANRHFSA-N 433.017 5.074 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223830910 BGPSQWYVJCVEPR-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1cccnc1 224155801 JPCFXSBKEHQTDR-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)nc1 224292333 WKCXPAVREQTNLL-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(Cl)cc1 224345482 RRFRSQIXUPMQPA-UHFFFAOYSA-N 432.372 6.224 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1CSc1ccc(C)cc1 224666230 YRMXHYWUAKFVDO-UHFFFAOYSA-N 446.616 5.648 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224727706 LSTBEKIIADSUGM-BJKOFHAPSA-N 442.544 5.388 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)ccc1F 224895105 WKOYWQRHAKSBLQ-XZOQPEGZSA-N 432.524 5.149 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Cl)o2)c(OC)c1 224932366 LOTJYZXQGUXMPP-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB O=C(NCCc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224940490 BTESAGOMJFPKDK-UHFFFAOYSA-N 447.332 5.744 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCCNc1ccccc1 225040420 NPTREJUPISHHCR-DQEYMECFSA-N 445.636 5.473 0 40 IKAB Nc1c(-c2ccc(Cl)c(Cl)c2)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225180696 XSNCPGBUQKBFSV-UHFFFAOYSA-N 440.174 6.466 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)n1 225291112 GVTLTHDFVJGAGB-UHFFFAOYSA-N 443.522 5.196 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(Br)c1O 226243623 CTOROUBEGXQZTB-UHFFFAOYSA-N 441.350 5.257 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 257220298 DKHOJWRUHQVZBW-HXUWFJFHSA-N 442.538 5.411 0 40 IKAB Cc1nc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)cs1 257225646 FHDYVIFPDLBJNS-ZJOUEHCJSA-N 437.531 5.235 0 40 IKAB Cc1nc2ccc(C(=O)N3CCO[C@@H](c4cccc(Cc5ccccc5C)n4)C3)cc2s1 257296595 RDMMQIWYURZVHP-XMMPIXPASA-N 443.572 5.113 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1cccc(Cl)c1 408550893 ICNIAIHLOZKISC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 408620393 IOAXOXSRBSARRE-YRSZXAOTSA-N 434.322 5.564 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c1C 408696613 BERITXUVEWVCLC-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB S=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)NC1CCCCC1 408735379 PFJSMLFTAXXAJM-UHFFFAOYSA-N 438.600 6.583 0 40 IKAB CCCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408800586 PYVUZJWWGSMEQR-SBTPHQKMSA-N 435.613 6.529 0 40 IKAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409016194 UYMKJPVSLZHQLY-VCBXAZPMSA-N 440.304 5.241 0 40 IKAB CCCc1sc2nc(SCC(=O)c3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C 409111631 BHCDPNGHRPZVFS-UHFFFAOYSA-N 448.613 5.992 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1cccc(F)c1 409114804 QJBBQYKVSHPAGU-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037845560 BUAZIMAVMSCWPN-MRXNPFEDSA-N 437.902 5.559 0 40 IKAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc2ccc(F)cc2[nH]1 2037846423 RCXCUHGVVUBVFL-GAYSTUHSSA-N 431.555 5.006 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1cc(C)ccc1C 645605 UJXBFWYFWWJRME-UHFFFAOYSA-N 427.522 5.083 0 40 IKAB CSc1nnc2c(n1)O[C@H](c1ccc(-c3cccc(Cl)c3C)o1)Nc1ccccc1-2 694500 SNZAJUCWGJAHRK-HXUWFJFHSA-N 436.924 5.985 0 40 IKAB O=C1CS[C@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 713643 KPUHMRRRHRPGQM-DNQXCXABSA-N 432.570 5.244 0 40 IKAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCCc2ccccc21 865719 XMNKTNQDAGCBEM-KDOFPFPSSA-N 432.471 5.198 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 871692 PHOVBURROUESKW-VWLOTQADSA-N 441.531 5.630 0 40 IKAB Cc1cccc(NCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 877646 BTQHAKARHAZQDM-IBGZPJMESA-N 443.576 5.307 0 40 IKAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 942554 UMZJCVKNUAHRMR-CYBMUJFWSA-N 436.382 5.243 0 40 IKAB CCOC(=O)c1nn(-c2ccc(Br)cc2)cc1C(=O)c1cccc2ccccc12 987931 ZGEFYVLRNRIVJL-UHFFFAOYSA-N 449.304 5.196 0 40 IKAB aggregator Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1352814 AKCIFAADPDTLEA-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1OC 1363085 QAUVHGZPXURDRY-IBGZPJMESA-N 449.551 5.071 0 40 IKAB Brc1cc(Br)c2nc(-c3ccc(-n4ccnc4)cc3)ccc2c1 1384424 MGRPFANBHCSDRD-UHFFFAOYSA-N 429.115 5.613 0 40 IKAB Cn1cccc1[C@@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 1409663 LDTNQPPHUKXYCP-HXUWFJFHSA-N 435.940 5.326 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 1836969 QHAVFGVHTBLXLF-UHFFFAOYSA-N 430.617 6.468 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 1913247 BLGUKDMRLPCHQA-PKNBQFBNSA-N 434.363 6.435 0 40 IKAB COc1ccc(-c2cc(OC(=O)/C=C/c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1 2103598 PLUQASJCMFNBDS-NTEUORMPSA-N 426.468 5.704 0 40 IKAB biogenic COc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 2409184 YUDCMVGPRZOLPD-UHFFFAOYSA-N 441.965 5.751 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 2758926 YMSJUTHRMUCKOJ-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1-c1ccc(Cl)cc1Cl 3125530 PQNBDFRJTMVKGV-UHFFFAOYSA-N 441.339 5.950 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@@H](c1cccs1)N1CCCC1 3265096 GXFLAVSLENXMFS-BVZFJXPGSA-N 442.588 5.314 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1ccc(Cl)cc1 3421435 USXFUDDIKVGAPY-UHFFFAOYSA-N 428.391 5.701 0 40 IKAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N(C1CCCCC1)C1CCCCC1 6049277 OXAAUGRYLALXIV-UHFFFAOYSA-N 429.576 5.675 0 40 IKAB CCOc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 6090170 JNUQTRRUUDKBEV-UHFFFAOYSA-N 447.423 6.757 0 40 IKAB Cc1ccc(-c2cc(NC(=O)C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 8771136 RDGNXOGICTXCLO-UHFFFAOYSA-N 446.429 5.611 0 40 IKAB CCSc1nnc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 8880901 QXQAMGBGVVRCKZ-ZETCQYMHSA-N 427.926 5.442 0 40 IKAB COC(=O)c1ccccc1C(=O)Nc1c(C(=O)Nc2ccc(C)c(C)c2)oc2ccccc12 9518412 VBOCAQZMUHUDSU-UHFFFAOYSA-N 442.471 5.341 0 40 IKAB C[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc2ccccc2c1 9669233 NMHPJAHBQDMEGM-ZDUSSCGKSA-N 435.574 5.136 0 40 IKAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9683402 JOKQQFAKRAQXND-QHHAFSJGSA-N 440.952 5.140 0 40 IKAB COc1ccc(-c2csc3nc(C)nc(Sc4nnc(C5CC5)o4)c23)cc1OC 9712135 YTPKETPIGGCTOU-UHFFFAOYSA-N 426.523 5.096 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)cc(C)c2)cc1Cl 10119202 YWIPTCYUBCYYNK-UHFFFAOYSA-N 432.907 5.707 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 12196587 HAOLSZMHWDKLOT-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB Cc1ncccc1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12230048 SMMOLWHMFAWXLA-QGZVFWFLSA-N 445.489 5.116 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3cccc(Cl)c3)c3ccccc3C2=O)cc1 12311975 SMOQPJBRSYSMHX-JCMHNJIXSA-N 446.890 5.157 0 40 IKAB COc1ccc(-c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1OC 12389756 GROXUBMZTNPAHO-UHFFFAOYSA-N 444.306 5.363 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1 12559526 AYPCZOOVVMQJSS-UHFFFAOYSA-N 439.587 5.800 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C 13675252 WVZYWSHOMANEKH-UHFFFAOYSA-N 433.982 5.750 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc2ccccc12 14126589 YLOKUIGYDUEZFZ-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)NCc1ccc(Cl)cc1Cl 14136309 HPIKOGSNXATMIU-UHFFFAOYSA-N 428.406 5.557 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)COc1ccccc1C 14270493 IUQZGLHXFQFWTC-UHFFFAOYSA-N 447.585 5.472 0 40 IKAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778735 UNKUOOQKYFEUMP-HXUWFJFHSA-N 434.883 5.310 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 15981389 MPRFDRZXBKVEFY-IBGZPJMESA-N 448.828 5.709 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1 16399088 ISRJMUBEOOMPKC-UHFFFAOYSA-N 447.709 5.398 0 40 IKAB C[C@@]12CC3CC(NCc4cc(Cl)ccc4OCc4ccccc4Cl)(C1)C[C@](C)(C3)C2 16605908 WGXGGECIJBTLOC-WNPZUFKQSA-N 444.446 7.411 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 16637043 KXTVUWQZISFCES-VMPITWQZSA-N 441.742 6.046 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 17094567 PPVMOIQFDCCSEZ-GOSISDBHSA-N 425.598 5.371 0 40 IKAB O=C(c1cc(C2CCCCC2)no1)N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1 19341750 SGOZEQLDEFKVCB-UHFFFAOYSA-N 446.473 5.637 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 19400613 FWYNNGDBIOFPQV-SQJMNOBHSA-N 442.588 5.075 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OCC)c2)n2c(nc3ccccc32)N1 20672275 OXABHGIHDRGZCQ-DEOSSOPVSA-N 449.551 5.466 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccccc3Cl)n2)cc1 22460824 MDDMOAPBJXTFDF-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(Cl)c1Cl 26124330 CARKHCROMJHPNJ-UHFFFAOYSA-N 431.710 5.941 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 30861626 MJEIMNDSEMRGCV-GBXCKJPGSA-N 430.548 5.591 0 40 IKAB COc1cc2c(cc1/C=C/C(=O)N(c1ccccc1)c1nc3ccccc3s1)O[C@H](C)C2 32722590 YAMBGEKVOXNTNJ-GZKZCVOOSA-N 442.540 6.006 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc3ccccc3c2)NC(=O)N1 32778214 YGEVUUZAOZODLV-FQEVSTJZSA-N 425.410 5.125 0 40 IKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1 33672491 YZZYZCIMXHCWJO-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB COc1cc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 33906690 HORBLPIYENOYJM-STOWSJARSA-N 449.591 5.432 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 38772233 ZOTQSRBTICZACK-VWLOTQADSA-N 448.613 5.825 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 39748663 WNDYGWRQXLYQCJ-UHFFFAOYSA-N 428.960 5.148 0 40 IKAB Cc1ccc(-c2noc(Cn3ccn4nc(-c5cccc6ccccc56)cc4c3=O)n2)cc1C 44166941 RKIASGGUTSGWBW-UHFFFAOYSA-N 447.498 5.031 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccc(Sc3ccccc3)cc2C)c1 58079762 DXKSBHXLBSJEJZ-UHFFFAOYSA-N 446.601 6.014 0 40 IKAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCN(c2ccccc2Cl)CC1 58493528 JYSCWAZNJWOJIC-CQSZACIVSA-N 436.865 5.292 0 40 IKAB Cc1sc(NC(=O)c2ccc3c(c2)nc(C)n3C)nc1-c1ccc(OC(F)F)cc1 60297616 URGYFNAPMZBTFA-UHFFFAOYSA-N 428.464 5.167 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c(C)c1 67209154 BYEHMYBKEJTPCB-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC(C)n1c([C@H]2CCCN2C(=O)CCCc2nc3ccccc3s2)nc2ccccc21 72306563 QBVCHZVMSZGSIH-OAQYLSRUSA-N 432.593 5.913 0 40 IKAB Nc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c(Br)c1 73639333 VBARDCDEWNNVJS-UHFFFAOYSA-N 444.126 6.269 0 40 IKAB C[S@@](=O)C[C@@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12)c1ccccc1 83990095 SYQUHSZXRHZGGI-WRHNGFHOSA-N 427.982 5.543 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 89761481 ACIVDRLTBWWRHP-DSMITIDZSA-N 442.588 5.335 0 40 IKAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)cc1)c1cc(Cl)cc(Cl)c1 100492526 NXYJOFDEHIBKRG-KKQCZIFWSA-N 434.794 7.075 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)cc1C 101189979 ZZDFVAUZFNNWPR-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1OCc1ccccc1 102153528 RFVQVSJVUBIIBK-QFIPXVFZSA-N 444.922 5.575 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102639888 JZHYJIYCLMFOKD-RLIDHQHUSA-N 426.604 6.754 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)cc2Cl)o1 102727864 ZRCOSKIKYZGMFU-RXVVDRJESA-N 433.722 6.791 0 40 IKAB Cn1ccnc1Sc1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 104109012 XFPKICNEHLJVBR-VKFLQFAXSA-N 446.414 5.244 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Cl)c2)cc1Cl 107594302 WINTZDCKLHWKRM-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=C1C)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118931320 VWSVBIDALISGLC-YGVFEVNSSA-N 442.728 8.350 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1Cc1ccccc1 214040027 CIKISPGEENGFQI-HYARGMPZSA-N 435.932 6.156 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 222984190 KKZXXHKKBJROGX-VXKWHMMOSA-N 425.985 6.076 0 40 IKAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc2c(c1)CCCC2 223081789 XOLJVKVDYABLKA-IBGZPJMESA-N 436.777 5.628 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223115709 DUEKODSBPBRTFJ-XZOQPEGZSA-N 447.560 5.345 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 223220880 PDEGRWKRBAQDSZ-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 223395630 VFBNERWAVWGQQZ-UHFFFAOYSA-N 425.981 6.004 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 223997782 SCTVMBDWTPCZIP-UHFFFAOYSA-N 432.611 5.052 0 40 IKAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COc1cccc(C)c1 224117364 JFHIREBMEUDDSX-UHFFFAOYSA-N 444.575 5.162 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181566 WNFZSIHVJKWWOU-DHIUTWEWSA-N 441.512 5.217 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(C)=O)c3)o2)cc1 224920583 DWYULUAKHMLSJO-UHFFFAOYSA-N 426.472 5.862 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225653850 OVNGPODICQJKJL-QHCPKHFHSA-N 428.013 6.238 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 225675069 GVTCFXUHNRIPRL-LJQANCHMSA-N 447.044 5.071 0 40 IKAB CC(C)(C)OC(=O)CC[C@@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 248165242 NYRSZLHHHLKYST-XMMPIXPASA-N 445.559 5.143 0 40 IKAB CC(=O)Nc1ccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)cc1 257328169 XELSBQMEMSPXNV-LADGPHEKSA-N 440.971 5.193 0 40 IKAB Cc1cccc(CN2CCC(Cc3ccccc3-c3cccs3)(C(=O)NC(C)C)CC2)n1 257342944 ZQRYKLWGHMSXRX-UHFFFAOYSA-N 447.648 5.468 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCCC2)CC1 257343365 ZSQVFKCCSBTZCP-UHFFFAOYSA-N 447.623 5.005 0 40 IKAB Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)O)o1 408632431 PVQOASZRVFCXPO-IUXPMGMMSA-N 437.304 5.482 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c(F)cccc2Cl)C1=O 408812343 SHTJXXGGZNGKKB-HHHVYQHMSA-N 429.968 6.533 0 40 IKAB Cc1cc2ncn(C(Nc3ccc(Cl)cc3)=C(c3ccccc3)c3ccccc3)c2cc1C 408822601 OXVZTWXAKNUNRF-UHFFFAOYSA-N 449.985 7.793 0 40 IKAB COc1ccc(/C=C(/C(=O)NCCSCc2cccc(Cl)c2)c2ccccc2)cc1 408909779 IDHBQQSQBXMGHZ-JJIBRWJFSA-N 437.992 5.939 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1 409099737 SJSTXWDAAQSYNE-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(C)cc3-n3nc4ccccc4n3)cc2)c1 409177038 BJGSCZMCKYFDQS-UHFFFAOYSA-N 449.510 5.836 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(COc2ccc(Cl)cc2Cl)o1 409196357 UIVITHPBZSKWDX-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB Cc1ccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3)cc2Cl)cc1Cl 409260876 XVNHAZAXTRYSQE-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C 824683 PIXNJRVXZQYFHN-CLOONOSVSA-N 446.522 5.514 0 40 IKAB Cc1cc2cc(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 878788 MGJOOPMEUGENPO-UHFFFAOYSA-N 446.551 5.078 0 40 IKAB O=C(c1ccc(Br)cc1)N(C[C@@H]1CCCO1)c1nc(-c2ccccc2)cs1 882104 XPSYXVMILJFRMG-SFHVURJKSA-N 443.366 5.398 0 40 IKAB Cc1ccc(F)cc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901532 GTSGRFWKCJHTEC-UHFFFAOYSA-N 427.448 5.402 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 954661 MHZKIOUYNCQELS-KRWDZBQOSA-N 434.714 5.166 0 40 IKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)CSc4ccccc4)ccc32)cc1 1107312 SQYRFYZMJCMGAO-UHFFFAOYSA-N 445.540 5.848 0 40 IKAB O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1cccc(Cl)c1 1599563 FWVCVXMRCBEHNQ-UHFFFAOYSA-N 433.933 6.625 0 40 IKAB O=C(N[C@H]1CC1(c1ccccc1)c1ccccc1)N[C@H]1CC1(c1ccccc1)c1ccccc1 1707180 DIDKTFQKJBUMOX-NSOVKSMOSA-N 444.578 5.803 0 40 IKAB Clc1c(Cl)c(Cl)c(C[n+]2c(Cl)sc3ccccc32)c(Cl)c1Cl 1760545 KKWJKSUNYSTFDE-UHFFFAOYSA-N 432.994 7.158 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)c1 1777117 ZHIZTHJWTVROAY-UHFFFAOYSA-N 436.847 5.350 0 40 IKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 1837122 VCBICTRYHUUVMK-UZYVYHOESA-N 433.396 6.141 0 40 IKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)Cc3cccc4ccccc34)c3ccccc32)cc1 2270182 NKQJVZPUAXXVPA-WJOKGBTCSA-N 433.595 7.212 0 40 IKAB CCCCc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2274117 YFGOPJRDODXQCY-UHFFFAOYSA-N 446.620 6.088 0 40 IKAB COc1ccc(C(=O)N[C@@H](CCSC)c2nc3ccccc3n2Cc2ccccc2)cc1 2376987 ZUYBAFBQZTUBHN-QHCPKHFHSA-N 445.588 5.317 0 40 IKAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccc(C(F)(F)F)cc1 2482312 FARZLQXTAVTGOA-CQSZACIVSA-N 434.361 5.166 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(Nc3ccccc3C)c2c1C 2625930 JHNDKOMDKVOEEO-UHFFFAOYSA-N 449.601 6.521 0 40 IKAB CCOc1ccc(Oc2ccc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)cc2)cc1 2642921 ICXAQGLZRVXNLC-UHFFFAOYSA-N 425.550 5.912 0 40 IKAB Clc1ccc(CCNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 2693067 WFDDRAQYOUJGNA-UHFFFAOYSA-N 434.330 5.906 0 40 IKAB CC[C@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)CC)C2 2741611 WCPAZWGRICLSIZ-APWZRJJASA-N 443.609 5.872 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2cc(OC)c(OC)c(OC)c2)nc2ccccc12 3204327 JWDKDEOZWRNCJP-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cs1 3408557 LJMOKIMQUAASLQ-UHFFFAOYSA-N 438.553 5.483 0 40 IKAB CCc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655622 DEVZCUNAJROQCI-SFHVURJKSA-N 427.500 5.941 0 40 IKAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 6442718 XMKAUWMPDGYOLS-IBGZPJMESA-N 444.560 5.274 0 40 IKAB CC(C)c1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1cccs1)=N2 8673029 OREMXDIGOYWKLE-UHFFFAOYSA-N 430.577 5.142 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 8810053 AYGLXKILAIAKQW-UHFFFAOYSA-N 446.931 5.656 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1ccc(Cl)cc1 8926558 PTVFLALOMCPPAJ-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)c2ccccc2)n1C1CCCCC1 8966060 ZKXNEHGLDYKWNI-UHFFFAOYSA-N 434.565 5.054 0 40 IKAB COc1c(C(=O)NC(=S)Nc2cc(C)ccc2C)cc2ccccc2c1Br 9064820 PXVVDAFAKWCRLM-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB COc1ccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c(OC)c1C 9086256 COTGZNJWYPGPIH-UHFFFAOYSA-N 449.348 6.499 0 40 IKAB Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@@H]3CCCO3)cn2c1 9367165 OGYIZIJDOFXTQG-IBGZPJMESA-N 439.972 5.026 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(Cl)cccc1C(F)(F)F 9441845 IFXWUNIZRWAXGJ-UHFFFAOYSA-N 438.833 5.345 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)cc1OC 9518446 ZBYZYENWLQEEBG-UHFFFAOYSA-N 448.450 5.023 0 40 IKAB CCOc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC 9712426 RFFMJSSLYNLAEV-UHFFFAOYSA-N 433.533 5.320 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1NS(=O)(=O)c1ccccc1 10314862 OZPUBNCEDPYINZ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 11114952 GLUOSQCIQGZHIV-LEWJYISDSA-N 427.957 5.165 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195614 ZGCRFNMTSNYNAW-UKILVPOCSA-N 434.923 5.990 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1NC1CCCCC1)c1ccc(-n2cncn2)cc1 12534608 KSPHZEFQLQYIBB-UHFFFAOYSA-N 429.446 5.283 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1/C=C/c1nc2cc(-c3ccccc3)ccc2o1 12590438 HSYBMRGKERPDEK-WYMLVPIESA-N 446.337 7.466 0 40 IKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)NCc1nc2ccccc2s1 12758178 VANAZNWAQDHVCI-UHFFFAOYSA-N 433.480 5.298 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1ccccc1SC)CC2 12978564 UUQFUUWEZHASNJ-SANMLTNESA-N 448.588 5.012 0 40 IKAB COc1ccc(CCN(Cc2ccncc2)Cc2c(Cl)cccc2Cl)cc1OC 13989508 IFAOLLLEIGGAOB-UHFFFAOYSA-N 431.363 5.651 0 40 IKAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC[C@@H]1c1cccs1 14707359 WGTHSTGDHBDKJZ-LJQANCHMSA-N 446.981 5.180 0 40 IKAB CCN(CC)c1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccccc2)cc1 16031650 IYFBLMBSWRSJAH-OZYVINHLSA-N 432.608 5.441 0 40 IKAB biogenic O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1nc2ccccc2s1 16047497 QEIKRHXNTVADSF-UHFFFAOYSA-N 443.941 5.231 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(OCc2ccccc2)cc1 17098847 YKHLXRUOEWAGIR-UHFFFAOYSA-N 434.495 6.004 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 17724521 OIHIHXHRQAFSFC-MDNUFGMLSA-N 440.586 5.970 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)cc1 18154936 PZAQEQGFNKOLDD-PLQXJYEYSA-N 439.511 5.176 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19081265 FOXRTYDQYGJOKZ-GOSISDBHSA-N 433.531 5.173 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)CC2)n1 19691228 NVQSLHIRJTTYGX-HSZRJFAPSA-N 443.522 5.028 0 40 IKAB COc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 21867072 YMKDXFRLJURAQM-ZDUSSCGKSA-N 441.603 5.995 0 40 IKAB Cc1sc2nc(CSc3ncnc4sc(-c5ccccc5)cc34)[nH]c(=O)c2c1C 22086640 VETFJFVKMLFOHT-UHFFFAOYSA-N 436.587 5.565 0 40 IKAB C[C@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 23410490 URIUZPZKVODFIY-WGDIFIGCSA-N 437.499 5.241 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H]1CC(=O)N([C@H](C)c3ccccc3)C1)oc1ccccc12 32675811 IWWAXVJYFZIMGF-AEFFLSMTSA-N 428.488 5.143 0 40 IKAB Cc1noc(C)c1CC(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32717031 VWDHRJKEMUMMED-VWLOTQADSA-N 449.554 5.931 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)c1ccc(F)cc1 34780008 FKGLCASZUXJICP-VKAVYKQESA-N 443.499 5.962 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2Cl)cc(Br)c1OCC 35085946 RAIHPORWFICYFV-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C(C)C)n(C(C)(C)C)n3)n2)cc1 40140326 JHSSSLBECCTGHP-UHFFFAOYSA-N 425.558 5.096 0 40 IKAB NC(=O)c1cccc(CN(Cc2ccccc2)C(=O)Nc2ccc(Cl)c(Cl)c2)c1 40155883 KBRQQWUVHPBSBU-UHFFFAOYSA-N 428.319 5.327 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317002 FBXCHIORCSZIHE-UHFFFAOYSA-N 442.353 5.702 0 40 IKAB Fc1ccc(CN(Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C2CC2)c(F)c1 57996692 JMOBZSUPQNKZOH-UHFFFAOYSA-N 430.499 5.455 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 70635480 VSRRAQXFBODFFW-INIZCTEOSA-N 448.666 5.335 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 70691555 VGSSUFQMXBFFTM-IEICZEHPSA-N 448.732 6.190 0 40 IKAB biogenic COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4ccc(F)cc4)n3)CC2)cc1 72349359 JRNNBMCORYLJGM-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCC(COCc2ccc(F)cc2)CC1 77191501 NHFKOTJWNVAWLW-UHFFFAOYSA-N 440.740 5.311 0 40 IKAB CCCCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1C[C@H](C)N2C(=O)CC 95115738 RXMCCQKEPKHXNY-XRHLQHRESA-N 429.564 5.132 0 40 IKAB Cc1ncc(CN(C)C2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116449 DFPYFFVBERJHJC-UHFFFAOYSA-N 442.559 6.163 0 40 IKAB biogenic Cc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 101350389 DHQBDNZSHZEZSL-DEOSSOPVSA-N 447.542 5.397 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@@H](C)CC[C@@H]4c4c([nH]c5ccc(C)cc45)[C@@H]3C2=O)cc1 102941986 VENREXJNMXUIOK-UIGGQMIPSA-N 428.532 5.292 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1SCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 104750264 MHLLKEHGHYRKTM-RJOZEALSSA-N 436.621 5.534 0 40 IKAB Oc1c(-c2ccccn2)cc2ccccc2c1-c1c(O)c(-c2ccccn2)cc2ccccc12 107502127 XSBMCSCMQZOZOJ-UHFFFAOYSA-N 440.502 7.195 0 40 IKAB COC(=O)[C@@H](C)OC(=O)[C@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118075407 LYUKJPSMOGBDCO-MNOVXSKESA-N 447.698 5.311 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC(COCc2ccc(F)cc2)CC1 206599331 SBXUDTVFGVEAAI-UHFFFAOYSA-N 431.551 5.803 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 222715316 NQTYERVWMZZXBT-KNXBSLHKSA-N 433.533 5.328 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222856059 BTFNIJLYBQLJKV-GOSISDBHSA-N 429.004 5.167 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222903078 PDFKGIVNQBOXLG-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222983270 IVDBAFDMPYNTTF-LEWJYISDSA-N 446.403 6.421 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc2c(c1)CCC2 223225140 DSQLIPFHIXXJON-KRWDZBQOSA-N 441.413 5.027 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 223770101 BVQPCCSHSZEDGS-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 224157331 RAAMSVHZPFRPLW-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1CSc1ccc(C)cc1 224336578 JHBDWCXJFAIKMU-UHFFFAOYSA-N 442.378 6.311 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224384295 IUZRSWNDDXYLNV-LOSJGSFVSA-N 430.621 6.299 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc(Cl)c1 224490607 MBWCHGLVTIVYFM-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(Cl)cc1 224500798 YMVWNKSLVFHGOP-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc(C(C)(C)C)cc1 224522721 GKKVRMJDQSZXFZ-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224524355 YORMWXHYFXPEHB-UHFFFAOYSA-N 431.576 6.234 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224551350 FBJJCSCPMLDKAR-UHFFFAOYSA-N 443.587 6.784 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224643433 TYSLWVJJAKWMCK-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB Cc1ccc(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)c(C)c1 224648112 MJKLZVGNWMKJIE-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224664597 KEYRYPFUMOPZEU-JOCHJYFZSA-N 448.651 5.783 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c(OC)c1 224823155 CTEOUEUBWOGZBW-RPWUZVMVSA-N 448.592 5.193 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)ccc1F 224907647 VKWINAOEAOIMOV-BJKOFHAPSA-N 444.535 5.203 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)c(C)c1 224936557 ZSXMPBSLCGKUSE-HSZRJFAPSA-N 440.008 6.830 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225016156 CDGHZFJRXVNEPA-RTWAWAEBSA-N 426.626 5.118 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225460670 BDRGTTBCXTVRKR-NZQKXSOJSA-N 426.626 5.199 0 40 IKAB COc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)cc1C(F)(F)F 225954153 QRFVRQLOOUCWEV-UHFFFAOYSA-N 429.822 5.058 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCC[C@@H](C)C2)n1)c1ccccc1 225961327 CEIBZGAVRNQCMG-MOPGFXCFSA-N 447.608 5.553 0 40 IKAB Cc1cc(N2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)nc(C)n1 257204346 AUCLONJAEVRTMD-UHFFFAOYSA-N 426.486 5.482 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)n1 257267722 MINLQZJRXTUXRQ-HXUWFJFHSA-N 428.511 5.172 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1C 408554603 CPRJDTXVMYUNFO-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408681899 VQMOZZFJJBYGTN-RUZDIDTESA-N 448.994 5.431 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(Cl)c2C)c1 408697767 JGEIZBZQNAUUKO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3OC)nc2-c2cccc(Cl)c2)cc1 408698370 MZWWCILEWRJZFX-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB CCN(c1ccc(C(=O)NC(C(C)C)C(C)C)cc1)S(=O)(=O)c1ccc(SC)cc1 408700373 DVBAXBBURMBHMU-UHFFFAOYSA-N 448.654 5.034 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Cl)cc1 408824773 HRBNDRZXMXBVHU-UHFFFAOYSA-N 425.768 6.975 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408975069 JNYYPGXHEQILMA-UHFFFAOYSA-N 435.549 5.042 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2)cc1 409001297 HPAMCJCNCJDQKG-JOCHJYFZSA-N 442.968 5.005 0 40 IKAB CC(C)(C)OC(=O)N[C@H](COCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409002376 NLOVSLSOZVPSDI-XMMPIXPASA-N 446.547 5.402 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 409340647 AEZSAFXKSNDPEY-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB COc1ccc(-c2nc(-c3c(O)ccc4ccccc34)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547212435 WOIUYNPNCSNTPT-UHFFFAOYSA-N 440.455 5.245 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=S)n2C)cc1 639427 KSFZWHRYQMJGHB-UHFFFAOYSA-N 440.878 5.237 0 40 IKAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3cccs3)ccc12 660295 FQIAHNSNHPDEGZ-UHFFFAOYSA-N 435.452 5.758 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3OC)c2c1 917203 SXVIWRMEHGGNRY-UHFFFAOYSA-N 431.517 5.045 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccc(Cl)cc1 925192 JHOSCQVMSXMCGH-UHFFFAOYSA-N 448.979 5.301 0 40 IKAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 1004667 VOXNXVPMAKCNSI-UHFFFAOYSA-N 435.332 5.703 0 40 IKAB O=c1[nH]nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(C(F)(F)F)c3)nc12 1016742 VSGBCQMPXFTFAT-UHFFFAOYSA-N 432.405 5.462 0 40 IKAB CCCC(=O)Nc1cc(OCC)c(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCC 1324460 SBKNGIWJJLLOQG-UHFFFAOYSA-N 426.557 5.772 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1cccc2ccccc12 2053182 YADZCXDHIHESPJ-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@H]2c2ccccc2)cc1 2200048 BGDBEKLMQTUJOF-XMMPIXPASA-N 439.511 5.206 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(Cl)cc4)c23)CO1 2215134 ZLQOPOVOXSDMAG-FQEVSTJZSA-N 437.055 6.600 0 40 IKAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCc5ccccc5)nnc23)CCC4)cc1 2289336 YTEJNCTWTYCJLX-UHFFFAOYSA-N 444.585 5.184 0 40 IKAB Cc1cc2c3c(c1)-c1c(sn(-c4cccc5ccccc45)c1=S)C(C)(C)N3C(=O)C2=O 2397369 QDJOVXAWLWGMMZ-UHFFFAOYSA-N 442.565 6.175 0 40 IKAB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)sc2c1 2438725 BNBKPROVSZITHM-OAQYLSRUSA-N 440.480 5.161 0 40 IKAB Clc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2631711 AUMOLVLWYMBBFC-AREMUKBSSA-N 448.957 7.451 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2)cc1 3330170 IMNBHSIIRPOEOJ-UHFFFAOYSA-N 431.561 5.428 0 40 IKAB O=C1c2ccc(Oc3ccc(C(F)(F)F)cc3Cl)cc2C(=O)N1c1ccccc1F 4105003 SBAUFTYMINGQBS-UHFFFAOYSA-N 435.760 6.091 0 40 IKAB CCCCCCOP(=O)(OCCCCCC)[C@@H](CCCCCC)C(=O)OCCCC 4429439 RGERMSDJBXYYKJ-QHCPKHFHSA-N 448.625 8.056 0 40 IKAB Cc1nnc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n1C1CCCCC1 8705174 CAHQCSKDGDXJDE-UHFFFAOYSA-N 432.899 5.495 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 8832136 KVPFACHOTOEJSI-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Clc1ccc(OCCCn2c(-c3cccc(Br)c3)nc3ccccc32)cc1 8860201 QPMKNZOMRIJOIF-UHFFFAOYSA-N 441.756 6.588 0 40 IKAB COCCN1C(=O)CS[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 8879378 MQGHACCRZXCAHS-AREMUKBSSA-N 449.572 5.065 0 40 IKAB C[C@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 8922922 PKJSCMUCXVTILM-MYYSRTQBSA-N 440.326 5.247 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1Cl 9290750 BZNDVTGNUWOXLN-VWLOTQADSA-N 443.934 5.324 0 40 IKAB Clc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c1 9291533 CZBDGCAQGMLOPG-VXKWHMMOSA-N 448.313 5.193 0 40 IKAB C[C@@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 9316447 NYDPTPDSUCASRF-CYBMUJFWSA-N 435.530 5.206 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 9408976 JRUMWBLWLKIRRJ-NRFANRHFSA-N 440.286 5.428 0 40 IKAB CCc1ccc(Nc2nnc(S[C@H](C)C(=O)Nc3cccc(C(C)=O)c3)s2)cc1 9508587 LVQWVZKQRXMQPZ-CQSZACIVSA-N 426.567 5.166 0 40 IKAB O=C1C[C@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1 9559791 GXLIDDHKDVAJTF-CYBMUJFWSA-N 449.117 5.978 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c(C)c1 9591526 ZMXIBQABNGPFIK-UHFFFAOYSA-N 431.463 5.746 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2C)cc1Cl 9849620 AJAKKAOSZCHISD-UHFFFAOYSA-N 436.968 5.252 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@H](C)c3ccc4c(c3)OCCO4)cccc2c1=O 9868153 FOBARJWHZAJWIA-QGZVFWFLSA-N 441.483 5.031 0 40 IKAB COc1cc2c(cc1NC(=O)c1cc(-c3ccccc3)nc3ccccc13)oc1ccccc12 9905989 MAGGTQYHMTVHKA-UHFFFAOYSA-N 444.490 7.062 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 10112195 WCZVTJFKKXGUTI-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1O)C3 10157001 IVAKBFVGTFBMNB-OAHLLOKOSA-N 432.911 5.186 0 40 IKAB CN(C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2ccc(F)cc2s1 12140927 KAFKEXDCFKDXMT-UHFFFAOYSA-N 447.579 5.552 0 40 IKAB COc1ccc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn23)cc1 12389887 ZMJQGXVZTAEVBH-UHFFFAOYSA-N 441.541 5.805 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)cc1 12618885 PKNBLZFCYQGPMN-UHFFFAOYSA-N 437.520 5.985 0 40 IKAB Cc1ccc(-c2csc3ncnc(S[C@@H](C(=O)NC4CC4)c4ccccc4)c23)cc1 12760350 KIIWMCBLJQKTTC-OAQYLSRUSA-N 431.586 5.779 0 40 IKAB Cc1sc(NC(=O)[C@@H]2CCCN2C(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 12787560 UAZPDMCDKGGDJL-SFHVURJKSA-N 425.941 5.015 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)c1 13102109 RNDXZOHJXZINAE-HXUWFJFHSA-N 431.966 5.216 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1 13498265 FADIBWWIESEOCM-RUZDIDTESA-N 432.589 5.432 0 40 IKAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14083718 OYHAIDZWYVKFGK-UHFFFAOYSA-N 438.531 5.426 0 40 IKAB Cc1ccc(S(=O)(=O)c2nn(C(=O)c3ccc(Cl)cc3)c3ccc(Cl)cc23)cc1 15019321 MCVZEVWGSPOJGE-UHFFFAOYSA-N 445.327 5.173 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)Cn1c(CSC)nc2ccccc21 15668537 RZMIDTZWJCYNNL-UHFFFAOYSA-N 437.487 5.346 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 17096182 XQFGZSKNUHHMBR-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 17921202 ODXMXNAZUSNTCA-UWJYYQICSA-N 429.586 5.533 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[C@@H]3C=CCC3)CC1)N2 19084122 QQTQXGPYILOTRZ-HHXXYDBFSA-N 438.538 5.063 0 40 IKAB O=C(CC1CCCC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294163 ZDALSQJWIRTKJU-HXUWFJFHSA-N 445.542 5.318 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)ccc1Cl 19637762 ZSDGMWPBOIPGPE-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccccc1 20490760 GCMABXYHEABXLK-QFIPXVFZSA-N 436.577 5.294 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3o2)c1 21579511 BWYLLJJWOCQXGV-UHFFFAOYSA-N 430.504 5.953 0 40 IKAB Fc1cc2c(c(CSc3nnc(C4CCCCC4)o3)c1)O[C@H](c1ccccc1)OC2 23588212 IFXMFKOASFENAN-JOCHJYFZSA-N 426.513 6.157 0 40 IKAB CC(C)(C)OC(=O)Nc1cccc(C(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)c1 29278732 BIAWLABCEXKRKU-UHFFFAOYSA-N 439.493 5.138 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc3ccccc3c2)sc2c1CCCC2 30752402 DXEMWYJMHGKKCH-FQEVSTJZSA-N 437.561 5.753 0 40 IKAB Cc1c(Cl)ccc2c([C@@H](O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 31614438 QGSBHKGMFVUSRO-DEOSSOPVSA-N 437.370 6.340 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 32124701 PQHISANJISWKOT-UHFFFAOYSA-N 448.828 5.898 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=N/[N+]2=C2/NC(=O)S/C2=C\c2ccccc2)cc1 32594731 WJXDYRWHIQNHOH-KDYMBEQYSA-O 440.548 5.453 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@H](C(F)(F)C(F)F)C2)cc1 33434157 FYZYLZYTAQDYCB-SFHVURJKSA-N 435.446 5.702 0 40 IKAB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 35039628 MWXHILJQYZOJMR-NDENLUEZSA-N 439.945 6.208 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352251 VLHRXUDAKOMLIY-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB CN1C(=O)/C(=C\c2ccc(-c3cccc(Cl)c3)o2)S/C1=N\c1cccc(C(=O)O)c1 39866591 XQHOITCUPSUYQG-RVFNTIOESA-N 438.892 5.532 0 40 IKAB CCc1ccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2C)cc1 45890956 IINWUUQWZWVAGD-UHFFFAOYSA-N 426.152 5.225 0 40 IKAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C)sc3C)cc2Cl)n1 48311952 WLQBCDISVHERBE-CQSZACIVSA-N 430.961 5.284 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc2ccccc2c1 68713097 GAAASXQLZLBYRB-MHZLTWQESA-N 441.914 5.501 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(F)cc2F)cc1 71328033 OMPZKSQVQCDHMT-UHFFFAOYSA-N 445.535 5.453 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3sccc23)CC1 71889362 UUEJJPVZQIBUKD-OAQYLSRUSA-N 435.597 5.384 0 40 IKAB O=C(Cc1cccnc1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349417 QGPZDSXDDQDRRO-UHFFFAOYSA-N 439.481 5.035 0 40 IKAB CCN(CC)C(=O)c1c[nH]nc1[C@@H]1CCCCN1C(=O)c1cccc(-c2ccc(F)cc2)c1 72351359 BQXCNCNUQSUSMV-QHCPKHFHSA-N 448.542 5.065 0 40 IKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3cn(CCCO)c4ccccc34)n2)s1 72375763 ASJBXZPKGJFAQL-QHCPKHFHSA-N 447.608 5.264 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)cs3)n2)cc1 72375894 CJTZJRHJEXOBEE-HXUWFJFHSA-N 436.581 5.240 0 40 IKAB C[C@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 89904638 YPXTYXXBGCLIID-BBATYDOGSA-N 434.439 5.132 0 40 IKAB C[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C(C)(C)C)cc1 220006032 HJEMPUUTIBBGOK-IBGZPJMESA-N 442.625 5.040 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1nc(-c2ccc(Cl)cc2)no1 222733439 JCJGBBWBHFXPLR-UHFFFAOYSA-N 442.755 5.246 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 223078806 PNIOYZUGBJVXOO-OALUTQOASA-N 447.044 5.214 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 223746865 KWYVRBPCIXRANO-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCCCC4)nc3)CCCCC2)cc1 224008931 HNHWEDWONBNSFN-UHFFFAOYSA-N 440.632 5.790 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224144475 DESSOZPOWPMFAJ-VWLOTQADSA-N 436.596 5.055 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224177726 XMQVQOZEPZFQDS-LJQANCHMSA-N 447.044 5.320 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2F)cc1COc1ccc(-c2ccccc2)cc1 224216165 FRUQQCZXRMSVAV-UHFFFAOYSA-N 427.475 6.333 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224297619 UFJPGSXFGXVERA-CLJLJLNGSA-N 444.648 6.409 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 224327310 XWYFJAUELWIUFM-JWQCQUIFSA-N 439.588 5.315 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224532697 PXCWMZCAQOKDTB-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224624250 DZCMGWGOTXSQDV-SANMLTNESA-N 436.640 5.631 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225717362 ADRXJSMFIZNPMD-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c(N)c1 226349269 XPGNTIREAMGRDA-UHFFFAOYSA-N 435.705 5.596 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@]32C)C1 256947251 NSCDXTUACLUGIN-QDQSPRTHSA-N 442.728 8.350 0 40 IKAB COc1ccccc1CNC(=S)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 408577657 UEBPIPWYXUIQHZ-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1 408699429 UEVZEEGNFVEUKB-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Cl 408969295 KZWNSFFLOWPTDY-UHFFFAOYSA-N 441.742 5.146 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cc(Cl)ccc2C)c2ccccc2)cc1 409001298 HPAMCJCNCJDQKG-QFIPXVFZSA-N 442.968 5.005 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4cccc(F)c4)o3)C2=O)cc1 409012568 KKPUAVGQSMKKAT-NDENLUEZSA-N 436.464 5.069 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409021117 YCEITTJXKXURHS-OTGIAGGSSA-N 449.931 5.902 0 40 IKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl 409063010 FLIUDHWKGUUKNO-UHFFFAOYSA-N 432.951 5.806 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(F)c1 409114404 JKOQSLHHFNIAPW-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB COc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)ccc1OCc1ccccc1 409137557 VWAUMLPHWFUGMM-HZHRSRAPSA-N 437.561 5.891 0 40 IKAB COc1ccc(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 409204056 CFRICKGOEMLORX-UHFFFAOYSA-N 442.584 5.463 0 40 IKAB CC(C)c1ccc(CN2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)cc1 643563390 UGRUWJUEPKQZEI-UHFFFAOYSA-N 433.567 5.951 0 40 IKAB O=C(c1cccs1)N1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)CN2Cc1ccccc1 1848351932 HLKBPFFRMQLNGH-JTAQYXEDSA-N 438.543 5.157 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 1848355800 PUKJTWFULBEKQV-RUZDIDTESA-N 447.922 5.325 0 40 IKAB O=C(N1CCC2(CC1)CO[C@@H](Cc1ccccn1)C2)C1(c2ccc(Cl)cc2)CCCC1 2037797797 VDPHDASGNRHBHS-QHCPKHFHSA-N 438.999 5.187 0 40 IKAB Fc1ccc(-c2csc(N3CCN(C(=S)Nc4cccc(Cl)c4)CC3)n2)cc1 1349354 KSFHQCYYLPPZBD-UHFFFAOYSA-N 432.977 5.122 0 40 IKAB CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363173 KJRFSTVYWHNIOA-UHFFFAOYSA-N 431.923 5.303 0 40 IKAB Cc1cccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)c2cccs2)c1 1366440 VDAFMRXQIIDYOV-UHFFFAOYSA-N 430.573 5.400 0 40 IKAB CCCCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1822167 ZGPQPJXESDQYOI-UHFFFAOYSA-N 444.644 6.940 0 40 IKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccc(F)cc3)c3ccccc3c21 1835824 DRBMXIROFSAFNB-UHFFFAOYSA-N 447.506 6.438 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 2083915 SRSWUSXJBXDDMO-NRFANRHFSA-N 438.553 5.341 0 40 IKAB CC(C)(C)c1c2c(nc3sc(C(=O)c4cccs4)c(N)c13)CC[C@H](C(C)(C)C)C2 2092053 XHVMZLPCTAQEMD-ZDUSSCGKSA-N 426.651 6.620 0 40 IKAB CCOC(=O)[C@@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1 2552323 CJPAHMUGIZQTJL-QHCPKHFHSA-N 434.875 5.797 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)c1cc(C)n(Cc2cccs2)c1C 2664778 GAMFBTGSZXXIHA-UHFFFAOYSA-N 447.560 5.057 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(OC)c(F)c3)nnc2-c2cccnc2)cc1 2664946 OQXWUTZAHPDZGT-UHFFFAOYSA-N 436.512 5.168 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 3209333 YAWNPELIPAAOMT-UHFFFAOYSA-N 443.374 8.117 0 40 IKAB C[C@H]1CCc2c(sc3nc(COC(=O)c4ccccc4Nc4ccccc4)[nH]c(=O)c23)C1 3304208 WKJXGKNNJVJBBK-HNNXBMFYSA-N 445.544 5.210 0 40 IKAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3363854 PFMAOUPKNYQAJZ-JOCHJYFZSA-N 442.481 5.922 0 40 IKAB Cc1ccc2c(COC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)cc(=O)oc2c1C 3380526 ROSCKHYZDOVURX-UHFFFAOYSA-N 442.389 6.046 0 40 IKAB COc1cc(C)c(CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1OC 3435834 NJCIDWUQJNNXQB-UHFFFAOYSA-N 446.572 5.620 0 40 IKAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1C12CC3CC(CC(C3)C1)C2 4788707 WBBQWOQVHLJPNB-UHFFFAOYSA-N 428.576 5.617 0 40 IKAB Cc1[nH]c2c(C)c(Cl)ccc2c(=O)c1Cc1c(C)[nH]c2c(C)c(Cl)ccc2c1=O 8717983 IWIMPARZQZLWGW-UHFFFAOYSA-N 427.331 5.501 0 40 IKAB CCCCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 8733723 PTIDZUFUUAZQEU-UHFFFAOYSA-N 439.631 6.752 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1ccsc1)N1CCCCCC1 8863043 ZKWYYUHVHAYRTF-FQEVSTJZSA-N 444.000 5.712 0 40 IKAB CCCCn1c(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s/c1=N\c1ccccc1 9183580 XULZGQYBWNFQAO-QPLCGJKRSA-N 447.629 6.871 0 40 IKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1Cl)O2 9281716 DGMWSJJKDLUBRZ-WMZHIEFXSA-N 439.298 5.964 0 40 IKAB O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1C1CC1 9339193 WLZVRVHFHFKFCO-DEOSSOPVSA-N 426.545 5.389 0 40 IKAB Cc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c(O)c1C 9460940 HBJQGAJEPJHYOE-AREMUKBSSA-N 443.587 5.396 0 40 IKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(Cl)cc3)c2c1 9499226 PGBBDLOPNGUQRW-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9499487 YTVCOKPXOYOIFU-HNNXBMFYSA-N 449.963 6.078 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 9669751 AQHFHIRZDHMJTR-JOCHJYFZSA-N 446.576 5.288 0 40 IKAB Cc1noc2nc(C3CC3)cc(C(=O)Oc3ccc(NC(=O)c4ccccc4Cl)cc3)c12 9674303 NZRDCUMWYPYVJD-UHFFFAOYSA-N 447.878 5.534 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)[nH]1 9780855 HQXPVWPUQLVRMT-LBPRGKRZSA-N 441.354 5.387 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1 10225113 XIKDIKZHMZWUCZ-MRXNPFEDSA-N 440.385 5.445 0 40 IKAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 11325573 BOLBPWPJAJKSOU-CYBMUJFWSA-N 425.337 5.089 0 40 IKAB COc1ccccc1Oc1coc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O 11865236 UDVWJSZWUGACBN-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 12160648 VGKIPOLCLWTSDN-YZGWKJHDSA-N 448.533 5.166 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N[C@@H](c1ccccc1)c1cccs1 12598643 ILGXDOPEQXLNCF-CVDCTZTESA-N 433.602 5.401 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)cc1 12622591 ZNOBLQVJEUWWTJ-UHFFFAOYSA-N 435.980 5.455 0 40 IKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@H](c1ccco1)N1CCCC1 12680879 XGGCOULABNRYHS-XMMPIXPASA-N 440.547 5.008 0 40 IKAB COc1ccc(OC)c(-c2csc3nnc(SCC(=O)c4ccc(Cl)cc4)n23)c1 12878920 YLCOGBGCLMRCTR-UHFFFAOYSA-N 445.953 5.103 0 40 IKAB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl 12902189 UHEVGWPFDKQUQC-SDNWHVSQSA-N 447.343 5.446 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)n1 13010501 DNXFOXQCHGTOLA-HNNXBMFYSA-N 439.972 5.836 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1 13040354 PMZQKEXAVHHNKZ-QHCPKHFHSA-N 439.481 5.207 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 13578825 HIZKJFUWXOWYIG-NRFANRHFSA-N 447.585 5.228 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 13635045 BEALGGZSLQIZPC-IBGZPJMESA-N 426.314 5.039 0 40 IKAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccc(Cl)cc1 13686912 JDWKXMIQBPUTTH-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB Cc1ccc(Cn2nc(-c3ccc(F)cc3)c(Br)c2-c2ccc(F)cc2)cc1 13960725 QLZNTLJJJHWBPH-UHFFFAOYSA-N 439.303 6.615 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1C 14095563 XBWWWVTUVBHYLU-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)c(O)c(OC)c2)N3)C1 15945410 PFOWIHQBYOLWEJ-XLFHBGCDSA-N 437.359 5.169 0 40 IKAB CCOc1ccc2ccccc2c1[C@H]1N=C(O)c2c(sc3c2CC[C@@H](C(C)(C)CC)C3)N1 15946160 RBTXLRLOHAHMCJ-OSPHWJPCSA-N 448.632 7.270 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCSc2ccccc2)cc1 16362324 XMYBIDMAWSPLPV-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 16780379 KFJCBLHONVGIBW-UHFFFAOYSA-N 444.965 5.735 0 40 IKAB Cc1cc(C)cc(-n2c(SCc3ccccc3Cl)nc3c([nH]c4ccccc43)c2=O)c1 17011017 ADLKKILNULRJIO-UHFFFAOYSA-N 445.975 6.430 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c1 17101803 FCPMXVJMFMDWNK-UHFFFAOYSA-N 437.952 5.336 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Br)cc3)CC2)cc1 19637818 SRQFWCWILQOPJQ-UHFFFAOYSA-N 443.385 5.238 0 40 IKAB CC1(C)N=C(c2ccc(Cl)cc2Cl)C(=S)N1C(=O)c1ccc(Cl)c(Cl)c1 20152324 SBWYKWIKMSOTLG-UHFFFAOYSA-N 446.186 6.309 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 20488042 TVEDREBYEGQEJI-KRWDZBQOSA-N 435.008 5.374 0 40 IKAB C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 20493424 FRBZJKUVQALIQZ-HXUWFJFHSA-N 433.617 6.646 0 40 IKAB CC(=O)Nc1ccc(CNC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 21133924 IHBMAJLSNGCDQN-UHFFFAOYSA-N 439.515 5.216 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(F)cc1 22073889 QDUZHXGXVVJFLS-UHFFFAOYSA-N 429.963 6.125 0 40 IKAB CC(C)[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 23820138 GNOJBFDDJIWDCW-QGZVFWFLSA-N 445.938 5.545 0 40 IKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2ccccc2Cl)o1 24459987 ZIYXSUWXWGUQQV-ZDUSSCGKSA-N 437.754 6.454 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 31903391 LYYBSVCNKPKQQH-UHFFFAOYSA-N 445.563 5.802 0 40 IKAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl 32102864 IFXKDHLGOOATTI-INIZCTEOSA-N 445.306 5.345 0 40 IKAB CCOc1cc(/C=C2\SC(=S)N=C2O)ccc1OC[C@@H](C)COc1ccccc1 32109508 HQRRYVRPFWBUDR-DKNZLLBESA-N 429.563 5.508 0 40 IKAB CCC(CC)c1cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC2CCCCC2)nc(-c2ccncc2)n1 39960787 DSYIBMDTIYUXMT-CAOCKLPOSA-N 447.671 5.542 0 40 IKAB biogenic,in-vitro CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 44880349 OJGPQYCXDNEPQJ-HSZRJFAPSA-N 442.481 5.365 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1Br 57316222 WDOTWCLRBAKRGY-ACCUITESSA-N 427.323 5.236 0 40 IKAB CC(=O)c1ccc(SCC(=O)N(C2CC2)[C@@H](C)c2cccc(C(F)(F)F)c2)c(F)c1 58700974 NFAOINCEYJFKSE-ZDUSSCGKSA-N 439.474 5.891 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c(C)c1 59179505 VXFKFVSJYWUKHT-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB CCc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 64949871 BDHNMCNSMCWRFJ-UHFFFAOYSA-N 428.879 5.319 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1cccc(C(F)(F)F)c1)N1CCCCC1 72328477 RXTJNLMEMQFUJD-UHFFFAOYSA-N 447.888 6.145 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)NC3(c4ccccc4)CCCC3)sc3ccccc23)C1 72352632 WGJXZIPCNNEWNA-IBGZPJMESA-N 432.589 5.436 0 40 IKAB C/C=C(/C)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 90373164 FSINAZMQWFDQSD-SREVYHEPSA-N 443.710 6.726 0 40 IKAB biogenic,in-vitro Cc1[nH]c([C@H]2CCCN2C(=O)Nc2ccc(NC(=O)C3CC3)cc2)nc1-c1ccccc1 95408500 PLBQUNFDMQAMCO-OAQYLSRUSA-N 429.524 5.103 0 40 IKAB O=C(CSc1ccccn1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 95946599 VHSBSEPTZSOAHW-WNQDTGCPSA-N 439.584 5.997 0 40 IKAB Clc1ccc2c(c1)nc(CN1CCN(Cc3ccccc3)CC1)n2Cc1ccccc1 96318740 KFXJUXZODJEYPU-UHFFFAOYSA-N 430.983 5.056 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1Cl 98072707 PVWGNVGGWKLFSS-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C(F)(F)F)cc2)cc1 98087076 LQAGFYITVFFTHE-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB C[C@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 102080697 RLDHEJRFLYLOHX-JCURWCKSSA-N 432.303 5.138 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 107027041 LPUIIRGCGSWJPR-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214802719 DSLZQJIJWBQIIE-MDBUFAAASA-N 436.360 6.407 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 216354946 NFWUUEGTMWPSAO-UHFFFAOYSA-N 426.365 5.822 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 222597798 JJFOYNZRCXPRNF-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222713601 UGDSLXONSQTTIH-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222861533 FQJOJYYVWFKWNY-GOTSBHOMSA-N 439.028 5.833 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 223025513 PKYDOXIWWWSYOM-VQTJNVASSA-N 445.997 5.098 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223362075 GFGRSTYBYLYNAS-DNQXCXABSA-N 445.544 5.506 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223643911 LVKUXOQLOREUSK-VWLOTQADSA-N 438.612 5.221 0 40 IKAB Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)c(Cl)cc1Cl 224000723 UMACGIGICLIMGH-UHFFFAOYSA-N 442.843 6.539 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 224152946 PVEDGCXDMAUPFK-DEOSSOPVSA-N 436.596 5.055 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C(C)(C)C)cc1 224182053 MDPNBZGWQUYYLZ-UHFFFAOYSA-N 441.930 6.617 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224310279 LSZZPSADRDLSKF-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc2ccccc2c1 224314979 LQMBQFFMTFLXGM-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 224732671 WNLSWOPQTKNNME-QHCPKHFHSA-N 442.603 5.461 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225051614 XCMWTTSYXLKFQP-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(CC)cc1 225162799 SLCJCFYRKOHYQI-IBGZPJMESA-N 429.004 5.169 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c(C)c1 225610269 DIOVGPJOJDRYFV-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 225671474 UAINZTVUMUIJBX-IBGZPJMESA-N 445.003 5.032 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1Cl 225683791 FIIMFLCANLFAHE-SFHVURJKSA-N 448.972 5.114 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2ccc(Br)cc21 225823061 WYWJOHPHMJXMFB-UHFFFAOYSA-N 449.732 5.134 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 245232381 USUKRHRKFGRIRR-OPDFLTKYSA-N 430.858 5.193 0 40 IKAB C[C@@H]1O[C@@H]2c3cc(-c4ccc(C(=O)O)cc4)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1 257338945 YZNPCMRBKDKMGU-WDNUXJMTSA-N 428.528 6.473 0 40 IKAB Cc1cc(S[C@H]2C[C@H]3CN(Cc4ccccc4)[C@H]2[C@H]3Br)c(C)cc1Cl 257353915 UQFWYIQBXGFENR-LRGNLBRXSA-N 436.846 6.085 0 40 IKAB COc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)c1 408759167 ZBESIGJSWZSYSD-ZCUSHOGSSA-N 433.507 5.119 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 409098649 QZWMTMRESUHLKV-UHFFFAOYSA-N 441.987 6.957 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 409235262 OMHSVJPLXNTIRH-IYSPOMMRSA-N 443.341 5.028 0 40 IKAB COc1cccc2cc(C(=O)N3CCC[C@@]4(CCCN4Cc4cccc(F)c4)CC3)oc12 585100708 UJEZHWNAMLTANG-AREMUKBSSA-N 436.527 5.241 0 40 IKAB Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 585268782 KPGAQQXGHSRHHP-LJQANCHMSA-N 446.498 5.455 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3OC)C(=O)Nc3ccccc3)cc2c1 1327258 LOGGKSNWFOXBOD-UHFFFAOYSA-N 441.531 5.333 0 40 IKAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(Cl)cc(Cl)cc23)cc1 1778644 KVWDLVMNVRJXJE-UHFFFAOYSA-N 433.291 5.639 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Cl)cc1Cl 2250026 STHLGYGQQMEKKM-UHFFFAOYSA-N 440.282 6.232 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1Cc1ccccc1Cl 2263498 BFVSGMFTVVQVAC-UHFFFAOYSA-N 442.906 5.225 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccco1 2342381 NGQOVOVLDPMIFR-UHFFFAOYSA-N 447.903 6.021 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c(C)c1 2350621 FYAXBQBNMARVHZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOC(=O)c1c(N)n(-c2ccc(Cl)c(C(F)(F)F)c2)c2nc3ccccc3nc12 2394218 XCSUJNCINHWEBI-UHFFFAOYSA-N 434.805 5.005 0 40 IKAB CSc1nc(NC2CCCCC2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2413814 CBZIQUMZLVZQJN-UHFFFAOYSA-N 446.645 6.862 0 40 IKAB Oc1ccccc1-c1nc(Oc2ccc(Br)cc2Cl)c2ccccc2n1 2434639 GUJMHMWRRCRCKR-UHFFFAOYSA-N 427.685 6.211 0 40 IKAB CCOc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1 2727605 JUZWREMKKJGMPO-OAHLLOKOSA-N 429.430 5.354 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 2767239 BFXLYVVNEZCVEZ-JKSUJKDBSA-N 449.956 5.383 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 3218145 LBCDJCXWIBAHCJ-UHFFFAOYSA-N 443.553 6.349 0 40 IKAB CSc1nc(N2CCC(C)CC2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 8657505 LBZCJPWXNRQQMQ-UHFFFAOYSA-N 426.655 5.885 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 8831368 VITXJKFTCCLNAS-UHFFFAOYSA-N 441.778 5.264 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(O)ccc2Br)N3)C1 8919484 FKNKZPSWMNBJEP-ADLMAVQZSA-N 449.414 6.186 0 40 IKAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccc(C)cc5)nc4c32)cc1 9159196 JBNYSXDCWZOCNY-QFIPXVFZSA-N 436.471 5.100 0 40 IKAB COc1cc(/C=C/C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccc1OC(F)F 9244828 UQXZRRNXLGWJTL-JVNGFTGRSA-N 433.451 5.416 0 40 IKAB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260677 LBYVOXXUBNXSEX-IBGZPJMESA-N 432.574 5.750 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2cccc(Cl)c2)N1CCc1ccccc1 9293086 CIURACXCVRHDIH-XMMPIXPASA-N 429.907 5.224 0 40 IKAB Cc1cc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccs3)c2cc1Cl 9302786 WQIZSUHWEDRIQN-UHFFFAOYSA-N 435.888 6.482 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 9305967 NTPNZCXSDUKWHM-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB C[C@H](Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)c1ccccc1 9382822 VISAKHYIVPEDRQ-KRWDZBQOSA-N 444.585 5.545 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)NCc2ccccc2COc2ccccc2)c1 9389177 VAFUZXPKPPHLLT-UHFFFAOYSA-N 442.515 5.379 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)NCC(c2ccccc2)c2ccccc2)cc1 9580722 YFZYSIKPZRRPIZ-UHFFFAOYSA-N 426.516 5.432 0 40 IKAB NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 9671779 YYLOTQSOXOVQMQ-SFTDATJTSA-N 435.549 5.004 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 9980390 IYKNOKBMNOREPJ-UHFFFAOYSA-N 439.577 5.526 0 40 IKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)CCSc3ccc(C)cc3)nc2c1 10187599 SGFVZNBGBJULAN-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1CCc1ccccc1)CCS2 12140525 BNLQWAJCFFBHLS-UHFFFAOYSA-N 449.428 5.733 0 40 IKAB O=C(NC1CC1)c1cccc(NC(=O)c2oc3ccccc3c2COc2ccccc2)c1 12685407 LJMXRAULSSMYKX-UHFFFAOYSA-N 426.472 5.156 0 40 IKAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CSc1cccc2cccc(Cl)c12 12691364 GTRLKYWUAOGJPO-UHFFFAOYSA-N 448.922 5.351 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1Cc2ccccc2[C@@H](c2ccccc2)C1 12926166 PZFBWVCLPCVFIA-XMMPIXPASA-N 437.543 5.219 0 40 IKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccc(Br)cc3Cl)c12 12946455 SCOTYUYPXHSPME-UHFFFAOYSA-N 432.661 5.459 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)[C@H](C)c2ccccc2)ccc1C 12974758 YSOQDVDZURMEIX-HXUWFJFHSA-N 436.577 5.043 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)[C@@H]3CCCN(C(=O)c4ccco4)C3)n2)cc1 12984444 ZRUHKVUFJXRBAI-QGZVFWFLSA-N 437.565 5.192 0 40 IKAB CC[C@@H]1CN=C(N(C(=O)Cc2c(Cl)cccc2Cl)c2ccc(C(C)=O)cc2)S1 12996050 MKVRCZGDMJGKSM-MRXNPFEDSA-N 435.376 5.653 0 40 IKAB CCN(CC)[C@@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl 13096331 VXTGXGWIYYUIMN-QFIPXVFZSA-N 434.967 5.777 0 40 IKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(Cl)cc1 13566451 OSWYBNVPCSCYAI-UHFFFAOYSA-N 429.979 5.957 0 40 IKAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(-c3ccc(F)cc3)[nH]c3ccccc23)o1 13844903 FDAMQIBNKRQROZ-HHHXNRCGSA-N 436.486 6.621 0 40 IKAB CCCCc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 13880275 MYDXJCUBZMWULW-UHFFFAOYSA-N 443.660 6.133 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 15865484 ZFIMYTOLKXKRCE-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB COc1ccc(Cn2c(-c3cc(C)c(C)cc3C)cs/c2=N\c2ccc(F)cc2)cc1 16043503 BAKQGGNLPMRHAR-SGEDCAFJSA-N 432.564 6.570 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 16216640 FTPZMODJUUQTTK-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(OC)cc4)ccc3o2)cc1 16692015 UCLDVQMYZYDADO-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751107 JVYSRRWIBUZDQB-HSZRJFAPSA-N 435.520 5.326 0 40 IKAB CCCCN(CCCC)C[C@H](O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1 16980121 PREZAHYIZDKGJR-DEOSSOPVSA-N 445.434 7.144 0 40 IKAB C[C@@H]1CC[C@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 18247624 RLDHEJRFLYLOHX-CSMYWGQOSA-N 432.303 5.138 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19346083 ZKEPIDRJZARZCY-GFCCVEGCSA-N 430.405 5.222 0 40 IKAB O=C(c1nccc2ccccc12)N1CCO[C@@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692609 CKMDSCVLBUNVKS-HSZRJFAPSA-N 429.907 5.164 0 40 IKAB Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Br)cc1 19854599 HXDWNWYPUASQIA-UHFFFAOYSA-N 439.176 5.299 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)cc1 20970156 YOLHVZXULNEPPF-XMMPIXPASA-N 442.950 6.180 0 40 IKAB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3ccc(Cl)cc3Cl)oc12 27520511 AKLJYJCRXMOHDQ-NFFVHWSESA-N 436.298 6.524 0 40 IKAB O=C(CSc1nc2ccccc2o1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 27814562 ARSFQVXIEQFJGY-QGZVFWFLSA-N 433.558 5.411 0 40 IKAB COc1cc(C(=O)N[C@@H](c2ccccc2)c2cccs2)ccc1OCc1ccncc1 31915960 PSPCGBFMDUDDJI-DEOSSOPVSA-N 430.529 5.250 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1sc(C(=O)O)c3-c1ccccc1)C(=O)N2C 32071497 SMCNUOIHIVLFPB-VWLOTQADSA-N 446.528 5.491 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Br)cc3)sc2c1 32118776 KDGJTCKGCZQIIE-UHFFFAOYSA-N 448.411 5.528 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N[C@H]3CCCC[C@H]3C)nc2c1 35088390 DSJLZSYNJKFYHR-PNCHPQGNSA-N 434.605 6.086 0 40 IKAB CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(OC)cc4)csc3c2=O)cc1 38487102 SSRQUQVMRGJKEU-UHFFFAOYSA-N 447.560 5.115 0 40 IKAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(CSc2ccc(Cl)cc2)cc1 38752618 LHRMHNZDGOLFII-UHFFFAOYSA-N 433.964 5.748 0 40 IKAB CSCC[C@@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 40160219 MQONJBBTRMPNOU-XMMPIXPASA-N 429.589 5.696 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C 44856677 GERMOBCUGQRWNX-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N[C@H](c1ccc(F)cc1)c1cccs1 57541862 GZQOVTRWNODYQI-LHSJRXKWSA-N 432.948 5.564 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3cc(C)[nH]c3c2=O)cc1 67237033 GZGNPNFSCMCNLX-UHFFFAOYSA-N 446.576 5.185 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 67293587 ZFWWBDFYYYCTIF-SLMZUGIISA-N 439.393 5.340 0 40 IKAB CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@@H]3CC[C@]12C 70687375 MJVCJGGOYKSADY-AZKLTKATSA-N 430.673 5.640 0 40 IKAB biogenic CCC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccccc1C 72314692 SQJAERUNFYXCJQ-VWLOTQADSA-N 449.554 5.900 0 40 IKAB Cc1oc2ccc(OC(=O)c3ccc4ccccc4c3)cc2c1C(=O)NC1CCCCC1 72328177 RYJCCDVBUYZAPH-UHFFFAOYSA-N 427.500 6.176 0 40 IKAB O=C(NCCc1c(Cl)cccc1Cl)c1cnn(-c2ccccc2F)c1C(F)(F)F 195605592 VAODNSRNUWRRMH-UHFFFAOYSA-N 446.231 5.310 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)Nc1ccccc1 210806155 KAYOVKVGURKGNY-RCCKNPSSSA-N 430.485 5.154 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218875674 ZPOVDCLYYBKOAM-UHFFFAOYSA-N 434.330 5.075 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 223806453 XPPNGKJQPRKNSS-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223838474 AOODPMUUKIDTIC-DQEYMECFSA-N 440.572 5.448 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)ccc1Cl 224178795 UVWWMINQFLQJRR-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 224213468 WLODOEKZFOBSRJ-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 224241391 MAVCYROZYZWMAD-IBGZPJMESA-N 445.003 5.032 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc2ccccc2c1 224318654 ODDADQQJPWKKOZ-UHFFFAOYSA-N 425.528 6.605 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 224443694 CVABTFNWTLGMBI-FGZHOGPDSA-N 449.942 5.237 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc2ccccc2c1 224640329 BGDMUICOYBPMHC-UHFFFAOYSA-N 439.555 7.193 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224659284 QPHSIOQDOVYLMT-RPWUZVMVSA-N 426.545 5.688 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)o2)c(OC)c1 224869089 RGMJGGGKWLBQBF-UHFFFAOYSA-N 444.487 5.722 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1 224914746 HXQISXHBQPYWND-MRXNPFEDSA-N 432.907 6.162 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 224936945 KACJOZLHPWVXQA-OAHLLOKOSA-N 425.579 5.115 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024125 LHSJHRDRBRGRIH-BJKOFHAPSA-N 432.593 5.186 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2cccnc12 225864369 NUPZJIGFWFFDIH-UHFFFAOYSA-N 443.374 6.779 0 40 IKAB CC1CCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC3CCCCCC3)n2)CC1 226010247 PWYSCQILELMDRQ-IBGZPJMESA-N 444.693 5.101 0 40 IKAB Nc1cccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)c1 226303422 LQCKBDDLGHWQDZ-UHFFFAOYSA-N 425.370 5.751 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccc(Br)cc1 228954001 BIZCSKMWEFSXBI-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccc(Cl)cc1C(=O)O)[C@H](C)c1ccccc1 257215059 COMOQKLUOBGBQS-GOSISDBHSA-N 437.923 5.515 0 40 IKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCC(C)C)cc1-c1ccccc1OCC 257243330 IGKONEQZKPTCGF-UHFFFAOYSA-N 436.552 6.149 0 40 IKAB Cc1ncsc1-c1ccc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257317214 VIVQXXMUTFNSBZ-NRFANRHFSA-N 448.523 5.209 0 40 IKAB CCCc1nc(S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O)n[nH]1 408631322 HMIRBHPRVRZTFQ-JCMHNJIXSA-N 445.544 5.707 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 408637856 AKQHDJVWVFXXHW-SFHVURJKSA-N 443.385 5.182 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(C)cc2)cc1 408698445 PJBQWRGZADVDGU-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)c(C)c1 408920781 MUXXSRVRZGXKCA-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB O=C(OCc1ccccc1)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408974602 FJXVZBWMZNHBSK-UHFFFAOYSA-N 432.479 6.679 0 40 IKAB COc1ccc2c(c1)CCc1sc(NC(=O)C(c3ccccc3)c3ccccc3)nc1-2 409055463 YTDXXVLXXXJMDK-UHFFFAOYSA-N 426.541 5.688 0 40 IKAB Cc1ccc(NC(=O)COc2cccc(CNc3cc(Cl)ccc3C)c2)cc1Cl 409264585 LCJHEMIERDIYII-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB COc1ccc(CCC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1F 530405935 JHTNDZITXJHIHX-NRFANRHFSA-N 425.479 5.050 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 887604 ZDUCARUVXSOUCP-UHFFFAOYSA-N 440.528 5.139 0 40 IKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc4c(c3)OCCO4)c2c1 906276 LOMYPAIMZBSPMX-UHFFFAOYSA-N 443.528 5.107 0 40 IKAB CCc1cccc2c(SCC(=O)NCc3cccs3)nc(-c3ccc(F)cc3)nc12 1367944 AXNXHWKOQAYTDB-UHFFFAOYSA-N 437.565 5.468 0 40 IKAB CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1821162 GSWBLHROBHCPPB-HHHXNRCGSA-N 432.633 6.465 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccc(OC)cc1 1911813 DBTCZMCCMOPHEC-AWNIVKPZSA-N 441.936 5.906 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2400532 YCTGDZIKAMXECL-HXUWFJFHSA-N 432.501 5.097 0 40 IKAB COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 2733565 QVFJOLWELXPPFM-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB COC(=O)c1ccc(COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1 3286089 FVTLSDAMPOYMMO-UHFFFAOYSA-N 443.471 5.889 0 40 IKAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 3845973 QGKBSHAUAIEERO-FIXDAVPBSA-N 438.666 5.153 0 40 IKAB CCCC[C@@](CC)(CCCNC(=O)c1cc(C)oc1C)CNC(=O)c1cc(C)oc1C 6273893 CMMKTPDMLWIPHM-VWLOTQADSA-N 430.589 5.633 0 40 IKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)n2)cc1 8594529 SDOJWIFAHKEZJL-UHFFFAOYSA-N 437.547 6.450 0 40 IKAB CCOC(=O)Cn1c(SCc2c(F)cccc2Cl)nc(CC(C)C)c1CC(C)C 8857279 VHJCRYPAQNCTRD-UHFFFAOYSA-N 441.012 5.928 0 40 IKAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 9071697 CGTIKYXKPUPOHY-JTQLQIEISA-N 440.878 5.155 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3c(C)cccc3c2=O)cc1OC 9129657 HHQTZDHBJRACEX-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB COc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308645 MGLLAYOEPRNALP-PZJWPPBQSA-N 434.337 5.954 0 40 IKAB Cc1cccc(Cn2c(C)c(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)c1 9454664 DGFQTOSAFUXRTE-MYYYXRDXSA-N 435.552 5.077 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 9465115 GDEFJZUCKRTOIB-QGZVFWFLSA-N 427.529 5.619 0 40 IKAB Cc1cc(SCC(=O)N2CCCc3ccccc32)n2nc(C)c(-c3ccccc3)c2n1 9500482 LCUMCHCNVKDOTJ-UHFFFAOYSA-N 428.561 5.085 0 40 IKAB Clc1cccc(Nc2nc(NCc3ccccc3)c3cnn(-c4ccccc4)c3n2)c1 9648417 HISSSPZATUOERE-UHFFFAOYSA-N 426.911 5.825 0 40 IKAB CSc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 9924838 ANSJGJVTQQYAME-UHFFFAOYSA-N 446.601 5.695 0 40 IKAB O=C(NCCSCc1ccccc1F)/C(=C/c1ccccc1Cl)c1ccccc1 10280395 WYINDTGJXNEOMQ-LTGZKZEYSA-N 425.956 6.069 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 10883998 NVBJIQVQNDAQCB-VIFPVBQESA-N 431.341 5.630 0 40 IKAB O=C(CNc1ccccc1-c1ccccc1)Nc1ccccc1I 11618928 BOFYYGSFABMRLX-UHFFFAOYSA-N 428.273 5.009 0 40 IKAB CC(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 12193833 QQSCPTWWKANGPZ-ILBGXUMGSA-N 437.370 7.359 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cccc(OC(F)F)c2)c2ccccc21 12565706 ILULUWCUXBHKRF-UHFFFAOYSA-N 435.426 5.486 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4s3)cc2)cc1 12695754 UBJXYXVMYVHTGN-UHFFFAOYSA-N 449.557 5.288 0 40 IKAB COc1cccc(-c2nc(C(=O)N(C)Cc3ccccc3C(F)(F)F)cs2)c1OC 12930956 WALLLAPIHDLUAP-UHFFFAOYSA-N 436.455 5.118 0 40 IKAB CC(C)(C)c1noc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)n1 13005912 UOYQPTBCUPEJQV-UHFFFAOYSA-N 444.919 5.151 0 40 IKAB CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 13025633 AQDUPAAMUPMKDX-JOCHJYFZSA-N 438.549 5.187 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1C 13498417 YHSIMLHHQXLTKP-AREMUKBSSA-N 446.616 5.741 0 40 IKAB COc1ccc(OC)c([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1 13518305 WMPFMYFLWNBVST-OAQYLSRUSA-N 425.488 5.031 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 13632222 ZSGDDWHWJFYZAE-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB CC[C@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713937 MLTCIRHDMPOMSU-QGZVFWFLSA-N 449.787 5.139 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)oc2c1 13946108 YGMYDMKQXBGDPF-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB Fc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 13960752 CGUBBURPXKMJQH-UHFFFAOYSA-N 435.688 7.445 0 40 IKAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl 13995220 UBLNCNSKHJWTLR-RBZFPXEDSA-N 443.956 5.122 0 40 IKAB Cc1ccn2c(NC(=O)Cc3csc(-c4ccccn4)n3)c(-c3ccccc3)nc2c1 14635768 WBQMHGNFJHXACA-UHFFFAOYSA-N 425.517 5.009 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl 16385079 SRBPXZAHPXXHJH-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 16689132 PYSYMHPTIWFJMJ-QFIPXVFZSA-N 446.374 5.794 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 17095695 XXILJWNJGZVTBQ-UHFFFAOYSA-N 428.282 5.040 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(=O)OC)C1 19635481 ZGDRDVAKWZHPIW-NSHDSACASA-N 442.364 5.374 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 20571376 QVNMRYHXNIRDRO-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 20611007 OMVDYXKPENTPHU-UHFFFAOYSA-N 434.927 5.669 0 40 IKAB O=C(N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl)[C@H](C1=CCCC=C1)c1ccccc1 21486799 KOTJGWZWXQEUDJ-RBBKRZOGSA-N 449.809 5.649 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2ccccc2F)S(=O)(=O)c2cccs2)cc1 22393433 WSHXFMUWNPYNMI-UHFFFAOYSA-N 446.569 5.064 0 40 IKAB CCc1ccc(-c2noc(CCC(=O)NCCc3ccc(-c4csc(C)n4)cc3)n2)cc1 25162905 UPBISYHKCCIEQQ-UHFFFAOYSA-N 446.576 5.022 0 40 IKAB O=C(c1cc(-c2ccccc2)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1)N1CCCCC1 25186146 BMWKMEYCJLGAGT-UHFFFAOYSA-N 448.979 5.942 0 40 IKAB Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1C[C@H]1CCCO1 25396074 WFEDQNMKYACDKG-OAQYLSRUSA-N 445.588 5.598 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 30854672 KLPDCGGYTZPLHL-LJQANCHMSA-N 442.934 5.578 0 40 IKAB O=C(CCCc1nc(-c2cccs2)no1)Oc1ccc(Br)cc1Cl 31677212 ONEBMHNMLQXIFP-UHFFFAOYSA-N 427.707 5.142 0 40 IKAB Fc1ccc(-c2nnc(SCc3coc(-c4ccccc4)n3)n2C[C@@H]2CCCO2)cc1 32691289 IJTWEOXYDLJLEM-FQEVSTJZSA-N 436.512 5.211 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Br)cc2C)c2c(C)nn(Cc3ccccc3)c2n1 36616519 NKNJHWPTANQPMT-UHFFFAOYSA-N 449.352 5.420 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1N1CCc2ccccc2C1 40071002 VKVLYJOQWVFMPD-MHZLTWQESA-N 437.543 5.152 0 40 IKAB CCOc1ccccc1-c1nc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)c(C)o1 48990125 PLRKLIQLAJMVDL-UHFFFAOYSA-N 448.544 5.444 0 40 IKAB S=C(Nc1ccc(Oc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 54254167 VFBFKHHUJMKMGA-JXMROGBWSA-N 429.589 5.507 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1C 67289701 CCQNOMDABBSTSZ-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(I)cc1 70134254 MAXZWNRQOAJXEP-UHFFFAOYSA-N 425.575 5.216 0 40 IKAB COc1ccc(CN2CCC[C@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 72354591 KMPZGCHNYVPICN-FQEVSTJZSA-N 428.458 5.090 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCc2nc(-c3cccc(C(F)(F)F)c3)sc2C1 72391990 WOKQIGXUULWGFS-UHFFFAOYSA-N 439.462 5.576 0 40 IKAB O=C(NCCc1cccc(F)c1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344433 KLLSHFJQFNZDFE-VWLOTQADSA-N 448.582 5.370 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 98072810 GQVZSRNACHNRBE-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB O=c1c(-c2ccccc2)c(-c2ccccc2)o/c(=N/C2CCCCC2)n1C1CCCCC1 100782284 PNKSGAGUBYDKSH-ZQHSETAFSA-N 428.576 6.514 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C 100846765 JTNIFZSWZPIHRK-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102731198 PFSVTUWTNIYLCO-JTSKRJEESA-N 430.460 5.083 0 40 IKAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 109016465 POPRPECCKAJPEI-UMGGQSCQSA-N 438.572 5.681 0 40 IKAB Cc1ccc(CSCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219837434 XVINDZJMEJDWIR-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 223108816 PMEBMCNCZUTIHV-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223793406 QNAFOVMLHUGTHA-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 223854181 MEQJGGIGYYZUGV-JWQCQUIFSA-N 446.620 5.888 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(SC)c3)cc2)cc1 223995788 YBBZSQOMBLOZKI-UHFFFAOYSA-N 444.603 5.184 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)c1 224226778 PXRBXTHPNXPVLK-VXKWHMMOSA-N 445.617 5.431 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224324482 QJHNXAQMPHSKEM-MOPGFXCFSA-N 444.423 5.645 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(OC)cc1 224596163 CXVWFQMYRLDZDT-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 224614597 IDQYFTOBIJCUSQ-LJQANCHMSA-N 447.044 5.132 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225274756 WYJHMWLZDKWQNP-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225749115 OALUTDSMMMEGHE-JTSKRJEESA-N 449.422 5.566 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c(C)c1 225767212 ZKTCTQNEEDDYKO-NRFANRHFSA-N 425.395 6.142 0 40 IKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)cc2)n1 225913227 QUASKCZJMMXZGJ-UHFFFAOYSA-N 442.523 5.187 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C[C@@H]2C=CCC2)CC1 257203991 ASNRQTWFXPRCBH-OAQYLSRUSA-N 448.582 5.136 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257341868 ZMGLXSAKANUSIQ-IBGZPJMESA-N 431.923 5.487 0 40 IKAB CCCOc1ccc(Br)cc1[C@H]1SCC(=O)N1c1ccc(Cl)cc1 408557458 NQIADOPBUXPMSV-GOSISDBHSA-N 426.763 5.670 0 40 IKAB COc1ccccc1CNC(=S)c1cccc(OC)c1OCc1c(F)cccc1Cl 408571944 DLBBKVYSGXDRBE-UHFFFAOYSA-N 445.943 5.541 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1C 408640608 JPTMZVCNCQQAIA-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704534 PEPCNNRGKAJQJO-HSZRJFAPSA-N 440.927 5.506 0 40 IKAB O=C(Nc1ccccc1Cl)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721022 CNBFKYSDWXFDJZ-NVXDSCFRSA-N 431.919 5.733 0 40 IKAB CC(=O)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408813397 NVLQKRVFQOLXEK-QHJSVCQMSA-N 435.569 5.666 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3cccc(Br)c3)nc2-c2ccccc2)cc1 408836768 VHVXIZYFYQEDQP-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409067354 XTQJGMIBEUOHAL-UHFFFAOYSA-N 448.950 5.507 0 40 IKAB COc1ccc2ccc(OC)c(C[C@@H]3SC(=O)N(Cc4ccccc4Cl)C3=O)c2c1 409162109 ROZCPXJIZOMEMW-NRFANRHFSA-N 441.936 5.317 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)C2CCCCC2)c(C)c1 409367282 PXQVXHBGLMRYKP-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB CCCc1nc(Cc2ccc(Cl)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265229 JPFDZCJNIVAETL-UHFFFAOYSA-N 444.756 6.406 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)c1 664011 MQIUILIFUWHWOD-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 675269 KMQXEBKRCFGTHL-WMZOPIPTSA-N 434.849 5.758 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 842028 KRQIILQWVUYYST-ZKKFKWFVSA-N 433.429 5.276 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(Cl)c1 859831 URRWTOJWWRBWCO-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CCC3)c(Cl)nc2c1C 1367717 TYTATSVXBDSCFX-UHFFFAOYSA-N 436.939 5.563 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2cccs2)c2ccc(F)cc2)cc1 1376097 SQJXRFZGVONQCA-QHCPKHFHSA-N 436.552 5.643 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3n2Cc2ccccc2F)cc1 1381420 OCSWJXSPTYBQNT-UHFFFAOYSA-N 433.508 5.157 0 40 IKAB Cc1ccc(NS(=O)(=O)/C=C/c2cccn2-c2ncc(C(F)(F)F)cc2Cl)cc1 1402024 PIRWSSAFOAUIRW-CSKARUKUSA-N 441.862 5.266 0 40 IKAB CCOC(=O)c1cc(CC)sc1NC(=O)CCCOc1ccc(Cl)cc1Cl 1906355 PAIULYPPYHXXRX-UHFFFAOYSA-N 430.353 5.592 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Br)cc1 1957696 RUPUMIIYECRIOE-UHFFFAOYSA-N 428.138 6.132 0 40 IKAB Cc1ccc([C@@H]2C(/C=C3/SC(=S)N=C3O)=C(c3cccs3)Oc3ccccc32)cc1 2054397 XRSJPTLZINOZRY-OABJIQBASA-N 447.606 6.864 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2073674 BKFFIAXPBJYUDU-HXUWFJFHSA-N 444.963 6.507 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 2080081 QGDYTFSYAXOKJR-NSHDSACASA-N 426.365 5.997 0 40 IKAB CCN(CC)C(=S)S[C@@H](OC(=O)c1ccccc1Cl)c1ccccc1Cl 2274470 GSNIFNNLHKCYCK-GOSISDBHSA-N 428.406 6.209 0 40 IKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccc(F)cc1 2317188 ZZMXRLJRCLXMKY-RUZDIDTESA-N 433.419 7.288 0 40 IKAB COc1ccc(-c2nc(SCc3cccc(C)c3)nn2-c2nc3ccccc3s2)cc1 2449107 UMSWNBBKFTZASW-UHFFFAOYSA-N 444.585 6.153 0 40 IKAB Cc1oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 2666271 LCENRZPKHXELIO-UHFFFAOYSA-N 445.729 7.308 0 40 IKAB biogenic CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 2703496 LCDVDGXGRAOPNG-DEOSSOPVSA-N 440.499 5.363 0 40 IKAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2974807 BXZBKXGDMSWAKS-HNNXBMFYSA-N 426.442 5.553 0 40 IKAB COc1ccc(CN2C(=O)/C(=C\Nc3c(C)cc(C)cc3C)c3ccccc3C2=O)cc1 3223574 RKWVKGJLVJIACN-IWIPYMOSSA-N 426.516 5.256 0 40 IKAB COc1ccc([C@H](CNC(=S)c2ccc(NC(C)=O)cc2)c2c[nH]c3ccccc23)cc1 3348905 PJKOEARYDFJYRM-QHCPKHFHSA-N 443.572 5.232 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 6753164 ITMTXGTWRIXYPF-NRFANRHFSA-N 431.580 5.926 0 40 IKAB CC(=O)Nc1ccc(C(C)(C)c2ccc(C(C)(C)c3ccc(NC(C)=O)cc3)cc2)cc1 6761437 DESCEMIHKAPNMY-UHFFFAOYSA-N 428.576 6.255 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1C 8752844 KIFHXFKJPDMRJC-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)cc1 8752980 WKIMUGFQNSURFU-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)c1Cl 8832399 USBFBITXCYYWJS-ZHHULCEESA-N 444.830 6.364 0 40 IKAB Cc1ccc(Oc2cc(S(=O)(=O)c3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 8873422 KUQSNVLTFLCDIW-UHFFFAOYSA-N 436.920 5.731 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc([C@H](C)Oc4ccccc4F)o3)c[nH]c12 9050445 KVWUDJCCLRPADF-ZDUSSCGKSA-N 425.485 5.367 0 40 IKAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1C[C@@H]1CCCO1 9206960 AOPSAUVBHSHMCY-OXJNMPFZSA-N 425.941 5.209 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1c2c(nn1-c1ccccc1)CSC2 9367679 RTPYEWPQVVVUGP-UHFFFAOYSA-N 436.924 5.488 0 40 IKAB COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)cc1 9487281 ZLKLUDUNCICLDP-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB O=C1c2ccccc2N[C@@H](c2csc(-c3cccc(Br)c3)n2)N1C1CC1 9516928 SLCUVNUVEHIYCH-GOSISDBHSA-N 426.339 5.302 0 40 IKAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Br)ccc21 9731403 CSZCSHOFFLZTGF-HSZRJFAPSA-N 444.369 5.180 0 40 IKAB Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1C 9968795 WEMJJOCFBFTBSY-UHFFFAOYSA-N 446.344 6.809 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 10326286 NDSRITNWEKMFGU-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 10372418 OGPFHLSEPYKDQI-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 11852389 ACLQNVLCZDOYTJ-QFIPXVFZSA-N 440.952 5.197 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539553 WCAZKHLPXSHXMX-OAQYLSRUSA-N 443.522 5.079 0 40 IKAB COc1ccc([C@@H](C)NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)cc1F 12770974 VYWVCYQNTYMRDH-JOZWUWCOSA-N 426.513 5.069 0 40 IKAB CN(Cc1ccccc1)Cn1nc(Cc2ccccc2)n(-c2ccc(Cl)cc2)c1=S 13063494 KXPGACLZHZDSLC-UHFFFAOYSA-N 434.996 5.737 0 40 IKAB CC(C)[C@@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1 13109324 UAVMQBXWMNWHHP-HXUWFJFHSA-N 428.941 5.613 0 40 IKAB Cc1nc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cs1 13115690 CTKCIMKACWVBEO-CQSZACIVSA-N 436.562 5.212 0 40 IKAB COc1cccc(-c2nc(-c3ccc(-n4nncc4-c4ccc(Cl)cc4)cc3)cs2)c1 13145710 MNUPHSDQVUKMTA-UHFFFAOYSA-N 444.947 6.387 0 40 IKAB CCOC(=O)c1ccc2nc(/C=C/c3ccccc3)c(CC=C(Cl)Cl)c(Cl)c2c1 13512984 KRUYQAMEONNSLP-DHZHZOJOSA-N 446.761 7.097 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13616398 JYHXHZALXFOZMW-GGAORHGYSA-N 435.321 5.700 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(C)s2)[C@@H]1c1ccccc1 13942513 QTGCSJQAILOSIR-HXUWFJFHSA-N 435.578 5.065 0 40 IKAB CC[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1Cc1ccccc1)N(C)C 14244634 QKJQCUKXHSQNFC-OAQYLSRUSA-N 433.581 5.286 0 40 IKAB O=C(COc1cc(C(F)(F)F)cc(C(F)(F)F)c1)Nc1c(Cl)cccc1Cl 15183019 GLRMLYMFVJYXOD-UHFFFAOYSA-N 432.147 6.049 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)c(Cl)c1 16196299 RHYZNVVOEBMYAE-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 16450842 CSMSOGRLQDMNMR-DHZHZOJOSA-N 434.908 5.070 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)cc2Cl)cc1 17096306 FGEQWMTUCPZICP-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB O=C(Nc1nc2ccccc2n1CCOc1ccc(Br)cc1)c1cccs1 18144925 XXVJAYBDNBMGPV-UHFFFAOYSA-N 442.338 5.192 0 40 IKAB O=C(c1ccccc1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19368766 NTMCVYVIKMIVEH-QHCPKHFHSA-N 439.494 5.399 0 40 IKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 20151070 RLEJLSQBJVNJKP-JXMROGBWSA-N 431.366 5.324 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20152698 UTHSCOLZKIPXLN-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3nn(-c4ccc(F)cc4)nc3c2)cc1Cl 20610345 PUAAZAQIWKDYAD-UHFFFAOYSA-N 431.254 5.127 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2NCc2ccc(C)cc2)cc1 22574208 ILXTURKSCJFNIG-UHFFFAOYSA-N 436.508 5.136 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nccc(C(F)(F)F)n2)c2ccccc2)c1 26477103 OFCAIMWNICPTBU-GOSISDBHSA-N 431.439 5.170 0 40 IKAB COc1ccc(-c2nc(-c3cccc(NC(=O)CSc4ccccc4)c3)no2)cc1OC 28221837 VUDSFDHTWNLGKC-UHFFFAOYSA-N 447.516 5.152 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1ccc(F)cc1 28284472 IRMNECVJOJIKBF-UHFFFAOYSA-N 441.524 5.790 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288545 KEZCPEZDTCRKSY-QGZVFWFLSA-N 443.012 6.022 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30872224 BTAMFCCUBFRQMR-LJQANCHMSA-N 427.548 5.030 0 40 IKAB c1ccc(CNc2nc3ccccc3nc2Sc2nnc(-c3ccccc3)s2)cc1 32647175 UEIWNRSGLCHFQL-UHFFFAOYSA-N 427.558 5.912 0 40 IKAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1Cl 32950781 LRAPSIQPBXOONB-UHFFFAOYSA-N 438.314 5.317 0 40 IKAB O=C(Nc1nccs1)c1cc(N2CCC(Cc3ccccc3)CC2)nc2ccccc12 33475753 RZUWTGCRGBATMU-UHFFFAOYSA-N 428.561 5.403 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1 33862778 FFBARZFQRCFEBN-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccccc1Cl 35400845 FQDAGANOUBHHKY-UHFFFAOYSA-N 448.353 6.063 0 40 IKAB CC1CCN(c2ccc(-c3ccc(NC(=O)c4ccc5ncsc5c4)cc3)nn2)CC1 38788327 ZAJXLWMJZWJYNM-UHFFFAOYSA-N 429.549 5.242 0 40 IKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)(F)F)cc1 44088078 JPLJZHXQKXFORG-UHFFFAOYSA-N 443.288 6.312 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 44904459 OKKKFYJKKXWRQT-INIZCTEOSA-N 426.409 5.736 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc2nsnc2c1 57313063 FIGHOIGKNVTHJL-UHFFFAOYSA-N 436.500 5.139 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@@H]32)CC1 63720236 RSUMDFBTCAAZNY-MCKAELPCSA-N 443.031 5.085 0 40 IKAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 72355871 NKPLHEVDPYSGFK-JOCHJYFZSA-N 436.437 5.621 0 40 IKAB Cc1ccccc1Cc1nnc(CN(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)o1 95455991 XKOBCKINDDEJTQ-FQEVSTJZSA-N 437.547 5.501 0 40 IKAB CC[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 113958997 TWVTXWMBCDRRNR-LJAQVGFWSA-N 440.631 6.331 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)[nH]2)cc1Cl 216050620 OEEOSJKXWYTCKW-UHFFFAOYSA-N 427.744 5.471 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2cccc(Cl)c2)cc(C)c1Br 218833912 MRWFZJNZQBZJRO-UHFFFAOYSA-N 442.806 5.148 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)CCCN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 219472622 CFJHWWDDOHVOMC-OAQYLSRUSA-N 428.532 5.307 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 223183950 YCKVYZBCLHOFNC-LJQANCHMSA-N 435.574 5.780 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223407013 WXBWVDQKVFPODT-NRFANRHFSA-N 430.589 5.030 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223418469 TZIUUXXVDCZYKN-RUZDIDTESA-N 448.994 5.425 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223687047 AYMYHXGTGHMUTD-VWLOTQADSA-N 438.612 5.186 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223703344 JCLZSHGKOLHDKR-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 223782773 PLLXHFBGUNMPRJ-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1N(C)S(=O)(=O)c1ccccc1 224195853 IEINZECEEXESFT-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2C)cc1 224209238 HBCNPGCDOKSNCT-UHFFFAOYSA-N 436.577 5.306 0 40 IKAB COc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc(-c2ccccc2)cc1 224214024 MQGPGHCQHNSLLC-UHFFFAOYSA-N 437.539 6.180 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3OC)o2)cc1 224922213 OYOJDPDFNFPDHH-UHFFFAOYSA-N 428.488 5.346 0 40 IKAB CCOc1cc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1OC 225780696 URWZNMDIZSSENM-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)C(C)(C)c3ccccc3F)C2)n1 257338380 YXCKWKWBRJWBJI-KRWDZBQOSA-N 436.506 5.101 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 408560772 FBHVYRNZAKYYAY-ROMGYVFFSA-N 447.431 6.890 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 408575174 KAMSPCAUROBYRI-UHFFFAOYSA-N 445.971 7.677 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 408607503 MQWBXWMGVYBTLX-UHFFFAOYSA-N 442.540 5.007 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408697628 ITJSTILEYSNWGU-UHFFFAOYSA-N 437.330 6.056 0 40 IKAB S=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCCC1 408734905 GXUAFSYYYJXUCN-UHFFFAOYSA-N 438.600 6.537 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408820771 ZZNLMCOCRIXOMM-JLPGSUDCSA-N 445.540 6.214 0 40 IKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408840828 CAOSJBFSIYHJJV-MHWRWJLKSA-N 428.227 5.150 0 40 IKAB CN(C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)c1ccc2ccccc2c1 408978153 KVFIEAKARJTKPC-UHFFFAOYSA-N 443.510 6.050 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(F)c1 409110294 BDFDMNAWXSHKHA-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CCCc1nc(Cc2cccc(F)c2)c(C(=O)O)cc1-c1ccc(Br)cc1 585264997 BBUFFILOVNZGSL-UHFFFAOYSA-N 428.301 5.892 0 40 IKAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585291416 CNJIUEYHHMJWJS-SGWGQVFISA-N 433.581 5.021 0 40 IKAB CN1CCCCCCN(C(=O)CC(C)(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581796 AIWXSLGTNFJRRF-GGAORHGYSA-N 428.617 5.287 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NC[C@H](O)c1ccc(-c2ccsc2)s1 675008444 ZMKIWPODGGZKKB-AWEZNQCLSA-N 428.362 5.012 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc(OCc2ccccc2)cc1 991228 ILFRPCBHPDLKIY-UHFFFAOYSA-N 427.456 5.269 0 40 IKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4Cl)ccc3c2=O)cc1 1772194 NHIJPJNOHKPMOZ-UHFFFAOYSA-N 448.902 6.755 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)C[C@H](C(C)C)OC3 1825515 FGXMYJDLQKQPFP-GOSISDBHSA-N 428.623 5.496 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)cc1 2063288 MWYUJIJBLKPPPX-MDWZMJQESA-N 449.304 5.918 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc2c1CCCCCCCCCC2 2079847 LUOUNTJHJVDXCT-VHEBQXMUSA-N 439.621 6.796 0 40 IKAB COc1cccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 2086224 PVSHKSHBEQKYLP-UHFFFAOYSA-N 437.326 6.778 0 40 IKAB COc1ccc(Oc2coc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1 2415529 MXEQMPZRDHMGTQ-UHFFFAOYSA-N 426.827 5.965 0 40 IKAB biogenic O=C(C[C@H](Nc1ccc(F)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 3092196 NRJRKZAGUWOMAI-FQEVSTJZSA-N 432.720 6.668 0 40 IKAB CC(C)(C)c1cc(C(=O)Nc2nc3ccc(SC(F)F)cc3s2)cc(C(C)(C)C)c1 3175036 OXBALOZTBDVAIM-UHFFFAOYSA-N 448.604 7.458 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2cc3sc(Nc4ccccc4)nc3s2)cc1 3339903 GOWDIYLEMDPOGN-UHFFFAOYSA-N 437.546 5.459 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(Sc3nccn3C)n2)cc1C 4046688 NGOIKFNPQFEWDN-UHFFFAOYSA-N 431.569 5.477 0 40 IKAB COc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 6161472 QXECIOSBPAKKFM-UHFFFAOYSA-N 444.556 5.610 0 40 IKAB CCCC(=O)Nc1ccc2nc(Cc3ccccc3)n(Cc3cccc(Cl)c3)c(=O)c2c1 6471594 QKMSOSIQWSITJR-UHFFFAOYSA-N 445.950 5.428 0 40 IKAB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc(F)cc3)C2)c(=O)o1 8964998 UYXSPWWHPXLNCC-IBGZPJMESA-N 449.425 6.170 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccccc2)c1 9281101 GKGUONZXUZEUJG-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB CC1=NN(c2nc(-c3cccc(Br)c3)cs2)[C@H](c2ccc(Cl)cc2)C1 9305038 JPNOYBBAHPFMPJ-SFHVURJKSA-N 432.774 6.553 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1 9363734 MVQXNQWMQRHPGR-UHFFFAOYSA-N 425.513 6.163 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)c1 9391764 HXAQKVULXYBNMI-UHFFFAOYSA-N 428.601 6.654 0 40 IKAB CSc1nc(N2CCCC2)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 9479860 YLGCMOAFTXMFBF-UHFFFAOYSA-N 442.654 5.611 0 40 IKAB Cc1ccc(CNC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 9586876 FHHWVNPMBJWNKG-UHFFFAOYSA-N 440.638 5.153 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 9907588 GWHFDJDIUGCXPQ-MHZLTWQESA-N 444.600 5.879 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)C[C@@H]1c1ccco1 9971632 VGDBUFWLBPZHOA-OAQYLSRUSA-N 445.906 5.150 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cc5ccccc5oc4=O)n3)oc12 10749744 HKCGHYKQYXLADF-UHFFFAOYSA-N 432.457 5.314 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 12496342 UUCOUZPRPYNRIQ-UHFFFAOYSA-N 425.351 5.094 0 40 IKAB Cn1ccnc1[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1F 12507627 NLBVVWDJUOJBDY-PKTZIBPZSA-N 431.536 5.298 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1 12639405 IRQYJEXBOJZTDX-UHFFFAOYSA-N 429.472 5.424 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12905391 LDGHQEFBZAWFLU-UHFFFAOYSA-N 436.817 5.330 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2C)cc1 13026656 OKLGEXYWYHYMGJ-VWLOTQADSA-N 446.547 5.352 0 40 IKAB Cc1c(Cl)cccc1N(C1=NCCCS1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 13086166 UTMIJZLCFXWYOO-UHFFFAOYSA-N 437.030 5.634 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1cccc(C)c1 13942143 NIZZKKVTARVIJT-UHFFFAOYSA-N 432.545 5.426 0 40 IKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 13964449 GGVFOFYUVOSCIU-UHFFFAOYSA-N 445.316 6.119 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(-c4ccc(F)cc4)n3)o2)c(OC)c1 14201794 MNCSKPXCKSGSGQ-UHFFFAOYSA-N 429.498 5.309 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccccc2Br)cs1 14206047 LIZJHGSBLBNQGR-ZHACJKMWSA-N 429.339 5.445 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 14272571 BCXVUIQNFIPSKV-UHFFFAOYSA-N 442.902 6.871 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1cccc(F)c1)CC(=O)N2 15106718 JPVAQWLGYXSPRI-MRXNPFEDSA-N 448.441 5.941 0 40 IKAB O=C(CCCCCCCCCCC(=O)Nc1cccc(Cl)c1)Nc1cccc(Cl)c1 15134693 OIXJLTXVWAEIIM-UHFFFAOYSA-N 449.422 7.472 0 40 IKAB biogenic COc1ccc(-c2nc(C)c(-c3ccc(SCc4cc(C)ccc4C)nn3)s2)cc1 15826154 XBYLRRDZUAUCGW-UHFFFAOYSA-N 433.602 6.493 0 40 IKAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 16291041 FTWOADWSWKDVJY-UHFFFAOYSA-N 445.928 5.102 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 16739439 NLHHBFZBCHICLP-WIOPSUGQSA-N 434.923 5.990 0 40 IKAB C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)c1ccccc1 16757861 HTUDZTFPVVNFNX-SFHVURJKSA-N 441.987 7.594 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 20451020 SZUSTHQRWKNIOS-QZTJIDSGSA-N 434.561 5.306 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20493526 CLTQCETXPRHVKT-AREMUKBSSA-N 442.603 5.395 0 40 IKAB CN1CCc2nc3sc(C(=O)c4cccc(Cl)c4)c(N)c3c(-c3cccs3)c2C1 20546376 IRMDAXCSPQXIAS-UHFFFAOYSA-N 439.993 5.479 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN([C@H](C)c1ccccc1)CO3 20610347 AUYLVDVNNTYPBM-HXUWFJFHSA-N 425.528 5.914 0 40 IKAB biogenic O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc21)c1cccs1 21343362 IRTCTEFQQPFMOE-VWLOTQADSA-N 447.943 5.562 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(C)cc2C)cc1 22275369 FKSAVJPXQGTIFY-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Clc1ccc(CSc2nnc(CN3CCCC3)n2Cc2ccccc2)c(Cl)c1 22672973 NPAZTHDKPWLEID-UHFFFAOYSA-N 433.408 5.521 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1cc2c(cc1Cl)OCCCO2 26984699 HHYFQPPKXYUWCV-UHFFFAOYSA-N 445.928 5.046 0 40 IKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnn(-c2ccccc2)c1C1CC1 28490881 KPYSJZJTGQXWDL-UHFFFAOYSA-N 425.517 5.378 0 40 IKAB CCc1ccc([C@H]2c3c(-c4ccc(OC)cc4)n[nH]c3C(=O)N2CCc2ccccc2)cc1 32593540 PFXBSSOGGTXTSX-MHZLTWQESA-N 437.543 5.436 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C\c1cccc2ccccc12 35647885 PLWICSLOCJTYQT-ZDLGFXPLSA-N 432.854 6.404 0 40 IKAB COc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1 38486702 BAXXTMCHZILUJG-UHFFFAOYSA-N 441.516 5.441 0 40 IKAB COc1cc([C@H](C)NC(=O)c2cnn(C(C)C)c2C(F)(F)F)ccc1OCC(C)C 60337213 IFDVQYIOTCTAQK-AWEZNQCLSA-N 427.467 5.017 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72215183 UIKMWEODKMIDQO-DENIHFKCSA-N 437.584 5.989 0 40 IKAB Cc1ccc(C)c(-n2ncc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)c2C)c1 72233879 JXQKIGDGFGLLMV-UHFFFAOYSA-N 436.309 5.473 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3ccc(C)cc3)CC2)N=C1c1ccc(C)c(C)c1 96399283 UGSAFNFYLZIRJK-UHFFFAOYSA-N 434.609 5.590 0 40 IKAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 222507289 MMPPHNLRGKUVNE-FQEVSTJZSA-N 440.968 5.005 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222834934 RGVQWBAKPCROPF-AWEZNQCLSA-N 441.786 5.336 0 40 IKAB COc1ccc(-c2nnc(NC(=O)CSCc3c(Cl)cccc3Cl)s2)cc1 223295329 RUVNTRUPAQJIHF-UHFFFAOYSA-N 440.377 5.392 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223359872 DNPPQIHGYQMSLB-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223387676 GVARWWPXIDHDKZ-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CCc1ccccc1N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c1ccc(C)cc1 223557373 RWDBXGFBACTZQA-UHFFFAOYSA-N 444.641 5.084 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1C 223945157 WRMZGWOQHMLHDC-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Oc4ccccc4)nc3)CCCCC2)cc1 224009232 SHQQYERCTCKWMC-UHFFFAOYSA-N 435.568 6.202 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1C 224201829 BNQMOLXIYWEEAN-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224332835 IMYPEYKJFGHVSJ-UIOOFZCWSA-N 444.648 6.355 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 224342900 BGIIDCVULVQBQS-FTJBHMTQSA-N 438.600 5.920 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224544903 UNDSNKSMKWDKCX-RPWUZVMVSA-N 445.519 5.666 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(OC)cc1 224598859 RYDCKHFPHVOMQI-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225004843 WTGXFMJHRBPHOY-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225164281 SORPQAAYXIPOCS-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1Cl 225217712 KQGJSPOKUZXPTK-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225495251 FPHDMLNCFMGJEL-OFNKIYASSA-N 426.626 5.199 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccccc1 225505326 KVYQGHMUKJVZAF-FQEVSTJZSA-N 445.813 6.487 0 40 IKAB FC(F)(F)c1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Cl 225854557 LWLRMJKKXFZRAD-UHFFFAOYSA-N 433.326 6.768 0 40 IKAB C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 229862376 MZIWRSXHNVMYEY-DYJXAQSNSA-N 439.650 5.665 0 40 IKAB S=C(NCCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1 408577908 VQBADNZHTSPJBW-UHFFFAOYSA-N 426.379 5.536 0 40 IKAB S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCC(Cc2ccccc2)CC1 408578295 XGUURBAGESPXCF-UHFFFAOYSA-N 436.020 6.549 0 40 IKAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 408673050 YFVFFTKBLJPYJX-KRWDZBQOSA-N 444.918 5.589 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)cc1C 408696164 XCGNBZGRMDUJMG-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)c1 408697592 IHPGVDWCPWREAY-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(COc2c(Cl)cc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2Cl)cc1 409022409 NCNSACICKIQGMF-VCHYOVAHSA-N 436.360 6.326 0 40 IKAB Fc1ccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409110361 VEOLRGSCZZVMLG-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB CCc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 409111861 CRIBXCHYAXGKOA-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCOc1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 409172895 MPSTZCJIECZTRY-LJAQVGFWSA-N 448.566 6.760 0 40 IKAB COc1cccc(C2=N/C(=C\c3cccc(OCc4cccc5ccccc45)c3)C(=O)O2)c1 409178329 KVPWJKQYPADCHK-QQXSKIMKSA-N 435.479 5.772 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)O[C@H](C)CC)C1=O 409209379 GLJKAXLDEYQYHX-CTFRJJSNSA-N 427.522 5.007 0 40 IKAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409255361 YZBZRILWKLODEM-YBFXNURJSA-N 428.319 5.299 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)o1 1848353305 PBYORPGIOBRPHT-QFIPXVFZSA-N 433.483 5.262 0 40 IKAB CSc1nnc2c(n1)O[C@H](c1ccc(OC3CCCC3)cc1)N(C(C)=O)c1ccccc1-2 684151 VOTRKNKCIWVDKB-HSZRJFAPSA-N 448.548 5.026 0 40 IKAB CC1(C)CC(=O)c2c(oc3c(Br)cc(NS(=O)(=O)c4ccccc4)cc23)C1 752701 IFWIOPLERUOKRU-UHFFFAOYSA-N 448.338 5.151 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1Cl 871697 WTXNHOHCHMBQIA-HSZRJFAPSA-N 447.922 5.468 0 40 IKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1 974549 OLEQCNOJJJGQKW-UHFFFAOYSA-N 429.472 5.135 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 993247 MHTVDFSLMVJGLJ-UHFFFAOYSA-N 432.907 6.133 0 40 IKAB NC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2c1CCCC2 996386 WHFQUYPWRBWOSM-UHFFFAOYSA-N 433.558 5.255 0 40 IKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)c1ccc2c(c1)OCCO2 1332802 AFUFYUFPFPTWKG-UHFFFAOYSA-N 438.574 5.194 0 40 IKAB Cc1ccc(N(CCCCN2C(=O)c3ccccc3C2=O)C(=O)c2cccc(Cl)c2)cc1 2031460 JMCFKGJVXRIXEI-UHFFFAOYSA-N 446.934 5.372 0 40 IKAB CCCOc1c(Br)cc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1OCC 2081281 LOMKBUZBYNLDKX-LDADJPATSA-N 444.325 5.290 0 40 IKAB CCc1c(C)sc(NC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1C(=O)OC 2083639 LBJAZYNCMMPUBD-UHFFFAOYSA-N 444.556 6.181 0 40 IKAB CC(C)COC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 2258132 HLRVHWFUYNBRQJ-UHFFFAOYSA-N 429.307 5.276 0 40 IKAB Cc1ccc([C@H](CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2320279 HSYGQCPUNBUBRR-SANMLTNESA-N 437.605 5.591 0 40 IKAB COC(=O)c1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 2355816 ZPQTWVFZMWXSCB-UHFFFAOYSA-N 449.557 5.184 0 40 IKAB COc1ccc(C(=O)CSc2cc(C)nc3c(-c4ccccc4)c(C)nn23)cc1OC 2398685 PSBCZJFOOKLTCJ-UHFFFAOYSA-N 433.533 5.005 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2426603 LZMZNQMMORDTJC-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB FC(F)(F)c1cccc(-c2csc(-c3cc(Cl)nc(Sc4ccccn4)c3)n2)c1 2559310 CIWGAHOGELTZOC-UHFFFAOYSA-N 449.910 7.091 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)c2C1 2617358 STTRLXTZBAXEDO-CQSZACIVSA-N 425.431 5.001 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 2621419 HCRGFARIYYYFSM-UHFFFAOYSA-N 433.508 5.577 0 40 IKAB O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1Cl 3219423 BUIABXQPUJACAU-UHFFFAOYSA-N 440.632 5.390 0 40 IKAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)Nc1cc(Cl)c(Cl)cc1Cl 3240499 HANMMWJGTUARCQ-UHFFFAOYSA-N 428.486 5.144 0 40 IKAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)NC(c1ccccc1)c1ccccc1 3252872 PCZCVHJYNCWKIH-UHFFFAOYSA-N 437.495 5.542 0 40 IKAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)c1ccccc1CCc1ccccc1 3337025 XSPZFQUHGFKEJF-UHFFFAOYSA-N 448.566 5.697 0 40 IKAB COc1ccc(CN(C)c2ncnc3scc(-c4ccc(F)cc4)c23)c(OC)c1OC 3445534 GCGCRUVYWQUHKI-UHFFFAOYSA-N 439.512 5.160 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 8386286 LLORFBORMOJBGD-NRFANRHFSA-N 429.720 6.597 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 8722374 GMDGXPSKSJFLLN-WLRWDXFRSA-N 443.366 5.750 0 40 IKAB CCn1c(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)nnc1-c1cccs1 8898220 PEQVIFVVCBOQRJ-CQSZACIVSA-N 430.624 5.036 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@H]1C 9130404 SHRGQDIZFCHWSK-NLFFAJNJSA-N 428.532 5.375 0 40 IKAB CCCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 9136432 STCWQGFAPWPUOK-DQSJHHFOSA-N 441.600 6.892 0 40 IKAB CCOc1cc(Br)c(CSc2nnc(-c3ccccc3C)o2)cc1OCC 9644195 VYDYQSMOSDYUFB-UHFFFAOYSA-N 449.370 5.897 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)o2)c1 9949622 RGKQQVRZOFOKET-UHFFFAOYSA-N 437.521 5.207 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3C[C@H]2C)cc1 10327157 VEHOVCJAHNAKGE-HXUWFJFHSA-N 448.588 5.312 0 40 IKAB CSc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)cc1 11140487 XXUBAYJYSJJARX-HNNXBMFYSA-N 434.533 5.051 0 40 IKAB COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(F)cc32)cc1OC 12486156 ULSYJVCZZPPETA-UHFFFAOYSA-N 431.511 5.574 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1Cc1ccccc1 12494133 OSGPTKVOKDFYEX-GOSISDBHSA-N 444.560 5.121 0 40 IKAB CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3cc(Cl)ccc3C)cc12 12623334 KDFFWFMFTAUWOC-UHFFFAOYSA-N 446.934 6.121 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccc(C)cc1)[n+]1ccc3cc(OC)c(OC)cc3c1C2 12660758 SGPKULBKXDBHAB-NDEPHWFRSA-N 442.535 5.012 0 40 IKAB biogenic O=C(COC(=O)Cc1cccc(C(F)(F)F)c1)Nc1c(Cl)cccc1C(F)(F)F 12884728 RMSMQCRPZWKDSO-UHFFFAOYSA-N 439.739 5.102 0 40 IKAB COc1cc2c(c3oc(=O)c(CC(=O)Nc4cc(C)ccc4C)c(C)c13)CCC(C)(C)O2 12900958 VWNLUXLNAAYNTR-UHFFFAOYSA-N 435.520 5.012 0 40 IKAB biogenic C[C@](Cc1nc2ccccc2s1)(C(=O)OCc1c(F)cccc1Cl)c1ccccc1 13015818 MQEPOLSBOAORPR-XMMPIXPASA-N 439.939 6.333 0 40 IKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1nc2c(s1)CCc1ccccc1-2 13134715 DKYPBTKRYWLOMZ-UHFFFAOYSA-N 436.989 6.446 0 40 IKAB CCCCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(F)ccc2F)c1 13164434 UTYFCFXGVZXAPM-UHFFFAOYSA-N 444.503 5.213 0 40 IKAB CC(C)CCSc1nc2ccc(NC(=O)c3ccccc3Br)cc2s1 13514201 IRYYEYXLKQCJAU-UHFFFAOYSA-N 435.412 6.449 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3cccc(C)c3C)c(=O)[nH]c2c1 13661916 WXHJOAVFOYIEAJ-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 13799972 JJQYJLZWMHHOHI-XDOYNYLZSA-N 433.371 5.257 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CN[C@@H](c2ccccc2)c2cccs2)cs1 14185105 BUINSASKQXTFPO-QHCPKHFHSA-N 449.601 5.777 0 40 IKAB COc1ccc(NC(=O)CCC2CCCC2)cc1S(=O)(=O)Nc1ccccc1Cl 14356546 FRFBAEKEEWIBBE-UHFFFAOYSA-N 436.961 5.058 0 40 IKAB COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 15227328 YYVKVFVTWZCTOS-RCZVLFRGSA-N 448.906 5.110 0 40 IKAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2cccc(Br)c2)nc2ccccc12 15912111 UHMIZFLHVWHARZ-UHFFFAOYSA-N 443.304 5.793 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)cc1 15947803 IUNOCORREBYTMT-ZSEKCTLFSA-N 436.533 5.739 0 40 IKAB CC(C)(C)C1=CN(C(C)(C)C)[P@@](=O)(O[P@@]2(=O)OC(C(C)(C)C)=CN2C(C)(C)C)O1 16712933 JNMYZDQYALOYDU-VMPREFPWSA-N 448.481 7.256 0 40 IKAB COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1OC 17098235 HCPGEZYUJJMCOU-UHFFFAOYSA-N 432.929 5.277 0 40 IKAB CC(C)CC(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19446399 RVEKCETVANACSZ-LJQANCHMSA-N 433.531 5.173 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1Cl 19633127 AWUSVCSZGITRKO-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 20508461 GOYKRFFEUZDRIR-RTBURBONSA-N 425.579 5.088 0 40 IKAB CN(CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1)Cc1ccccc1 25393135 GLLHTZZXMONJPB-MUUNZHRXSA-N 433.555 5.650 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 26124379 AWEKQGBUNLLJBE-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB COc1ccc(-c2nc(CSc3nc4ccccc4n3C(F)F)cs2)cc1OC 32865980 NMENUWMTCJVQCF-UHFFFAOYSA-N 433.505 5.864 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OC)c2)cc1 34720628 YZAHNWJGCYDBQQ-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1 36007011 CKHWGQAGHQQPTC-NXCFDTQHSA-N 434.495 5.199 0 40 IKAB c1ccc(-c2nc(Sc3nnc(Cc4cccs4)n3C3CC3)c3ccccc3n2)cc1 40019903 USNQOUZNEWIGCY-UHFFFAOYSA-N 441.585 6.027 0 40 IKAB O=C(Nc1ccc2[nH]c(-c3ccco3)nc2c1)c1cn(-c2ccccc2)nc1-c1cccnc1 40157506 HMUQFZLOSDUTFP-UHFFFAOYSA-N 446.470 5.323 0 40 IKAB CCc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccn2)cc1 41156010 CGIVOLNTRCPHHX-UHFFFAOYSA-N 432.911 5.168 0 40 IKAB CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088243 PNCOHKAVPPGJCP-UHFFFAOYSA-N 429.319 6.948 0 40 IKAB CCCCOc1ccc(OC)cc1NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 48300654 PGLMYYSCZGHRAQ-UHFFFAOYSA-N 441.478 5.079 0 40 IKAB S=c1n(CN(Cc2ccc(Cl)c(Cl)c2)C2CC2)nc(-c2cccnc2)n1C1CC1 48367095 QGSDMLPPGAQFTL-UHFFFAOYSA-N 446.407 5.740 0 40 IKAB CC(C)[C@H](NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 58172375 DAOYOJBNQHCLHK-DEOSSOPVSA-N 435.543 5.206 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(-c3nnc(-c4ccco4)o3)c3ccccc32)cc1Cl 62007456 WRMKFZOMMHJUQG-UHFFFAOYSA-N 432.867 5.552 0 40 IKAB O=C(Nc1ccccc1Br)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 63450678 VWLVNANLJWCPEM-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782838 IBNFQZMCZXLXIE-OHROCVQLSA-N 448.651 6.290 0 40 IKAB Cc1ccc(NC(=O)[C@H]2CCc3ccccc3N2C(=O)c2nc(Cl)ccc2Cl)cc1 72066765 YHMSJOYYXSJKKN-LJQANCHMSA-N 440.330 5.297 0 40 IKAB Clc1ccc(CN(Cc2ccc(Cl)c(Cl)c2)CC2CCNCC2)cc1Cl 72203725 ZQSPGABGWYAIDA-UHFFFAOYSA-N 432.222 6.302 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)c1ccc2nc(C)sc2c1 72370266 IEOOVOAHXUPUJV-INIZCTEOSA-N 449.601 5.026 0 40 IKAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)c1ccc(C2SCCCS2)cc1 84368145 ARWGTMBAPRNQSU-UHFFFAOYSA-N 434.011 5.980 0 40 IKAB Cc1cc2cc(NC(=O)Cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3C)ccc2[nH]1 89610716 BNJYNHPPWBWQNV-UHFFFAOYSA-N 426.442 5.479 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C 102694039 JTNIFZSWZPIHRK-XPWALMASSA-N 432.907 5.008 0 40 IKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 108947699 DWBMFJSJDNZQHZ-FFZOFVMBSA-N 431.561 5.827 0 40 IKAB Cn1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)c2ccccc21 215101895 RUZIPNOOCBRNSE-VCHYOVAHSA-N 427.323 5.177 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222860443 DTLIVIOAAQFWMO-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223850270 OWDWABFMVXRGTG-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ncc(Cl)cc1Br 223990200 FUBAZHPVHSMXPC-UHFFFAOYSA-N 438.822 5.686 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224022083 OCBFYWHCLOXMMB-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 224235411 UFTSIBPZPOHSCH-QFIPXVFZSA-N 442.968 5.046 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 224526429 YJQNMBLQCPGIEG-UHFFFAOYSA-N 442.968 5.691 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224731467 KXGGYRZPFVAWBX-GOSISDBHSA-N 444.978 5.196 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c(OC)c1 224823247 CTEOUEUBWOGZBW-DNQXCXABSA-N 448.592 5.193 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)ccc1Br 224917971 QWENBBRNYQWTHC-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225091667 SCIVPJSZVYVJHP-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225279069 UHKSVVOPXHLWQR-VWLOTQADSA-N 434.555 5.245 0 40 IKAB O=S(=O)(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccc(Cl)cc1 225335398 VHLZXEIJFRNUHU-UHFFFAOYSA-N 427.938 5.326 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 225340703 IGWHPFNTBRXLQB-RPBOFIJWSA-N 446.620 5.963 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225714978 AGLUKFAVGNOOTB-MHZLTWQESA-N 442.603 5.541 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 253406653 JBYMGGHUFOKKPL-AFXVXQJMSA-N 433.621 5.154 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cnc(-c3ccc(C)cc3)nc2)C1 257280120 OJNFSJCVKPWCTD-HXUWFJFHSA-N 442.588 5.016 0 40 IKAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)ccc1OC(C)C 257303813 SIUWOEMSNZTPHL-MMMUJPEDSA-N 429.601 5.137 0 40 IKAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 408561295 RXOMSILGIMMJOX-UHFFFAOYSA-N 446.912 5.502 0 40 IKAB O=C(O)/C(=C/c1cn(Cc2ccccc2)c2ccccc12)Sc1nc2ccccc2[nH]1 408634839 VKGYXUPWVJVKMR-UCQKPKSFSA-N 425.513 5.784 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409111797 CRXXEGVAYZKQGK-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB COc1cc(Br)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)c1O 409220222 ZOJQDVOHWDGODO-MKMNVTDBSA-N 440.702 5.058 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccc(-c5cc(Cl)ccc5Cl)o4)c(=O)n3c2cc1C 409390287 DVRLDSXFBGLOJQ-JMIUGGIZSA-N 441.339 5.641 0 40 IKAB O[C@@H]1[C@H](NCc2ccccc2)CCC[C@H]1Oc1ccc(F)cc1Oc1cccc(F)c1 585263537 OIKSLFVHZCTZEW-GZGNHOFSSA-N 425.475 5.208 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccccc2)ccc(C23CC4CC(CC(C4)C2)C3)c1Cl 585655911 PCUIAAQPUJVGGT-UHFFFAOYSA-N 439.024 6.243 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccccc2SCC(=O)N2c3ccccc3C[C@H]2C)cc1 929801 GVEDXZPOKDWYMY-LJQANCHMSA-N 446.572 5.082 0 40 IKAB CCc1cc([C@@H](c2ccc(OC)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 1298675 YHWWVGYVURCUCQ-RUZDIDTESA-N 448.632 6.393 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)cc2c1 1353301 UVLLZYPJYYOATA-UHFFFAOYSA-N 437.971 5.534 0 40 IKAB CSc1nc(NCc2ccccc2)c2sc3nc(C)c4c(c3c2n1)CC(C)(C)OC4 2257818 QIIZOOJONDKJMA-UHFFFAOYSA-N 436.606 5.733 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1 2267286 JALKQRRLGKTKIG-TZRRMPRUSA-N 425.355 6.617 0 40 IKAB CCCCCCSc1ncnc2c1sc1nc(CCC)c3c(c12)CC(C)(C)OC3 2297815 LFVXDYPAOAPNGW-UHFFFAOYSA-N 429.655 6.716 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3ccc(F)cc3)cc12 2319272 JRWPQOMSKXLNLG-UHFFFAOYSA-N 449.316 6.388 0 40 IKAB biogenic Clc1cc(-c2cc(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c(Cl)c1Cl 2521598 DTMRKGRREZAYAP-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic,in-vitro CCOc1ccc2nc(NC(=O)c3cccc(COCC(F)(F)C(F)F)c3)sc2c1 2766886 WCUTXSWIFJKUJF-UHFFFAOYSA-N 442.434 5.364 0 40 IKAB Cc1ccc(C(=O)N[C@@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 3010981 MXWRELPZNMXJRM-OAHLLOKOSA-N 426.558 5.840 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)Nc2ccccc2)nc2sc3c(c2c1=O)CCCC3 3308148 XAMOAPJNSOAULI-CQSZACIVSA-N 427.595 5.039 0 40 IKAB CC(C)Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccccc1F 3355332 XYPIHGBDNAAZPO-OAQYLSRUSA-N 438.572 5.026 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 4091257 ZFUMSUACGUTAOF-UHFFFAOYSA-N 429.545 5.674 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4794676 LSVVQGOVNUXOAF-LARUCZGFSA-N 426.604 7.258 0 40 IKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1 8254058 JFEGUVRDGWJXGX-UHFFFAOYSA-N 426.000 6.232 0 40 IKAB Clc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@H](c3ccc(Cl)cc3)C2)cc1 8386283 ZWBGTOKGGYGMEN-FQEVSTJZSA-N 436.169 7.656 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 9190727 IZRGMSVRVHAMNO-UBFVSLLYSA-N 438.458 5.030 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc(C)c(C(C)=O)s3)c3ccccc3n2)cc1OC 9245099 ZAJHZNNRBJXWRV-UHFFFAOYSA-N 447.516 5.139 0 40 IKAB Cc1c(C)n(Cc2cccnc2)c2ncn3nc(COc4ccc(C(C)(C)C)cc4)nc3c12 9306149 CSDQAXSBALIPNO-UHFFFAOYSA-N 440.551 5.016 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2coc3cc(C)ccc23)cc1 9430930 FUGTWNYCNHHKBK-UHFFFAOYSA-N 438.483 6.229 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cnc3ccccc3n2)c1 9730462 FIVFHIOWGHPAKU-UHFFFAOYSA-N 436.393 5.153 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccccc1 9781009 MCDMIBHTTQBFAB-NJZAAPMLSA-N 438.837 5.281 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1ccc(OC)cc1 10022797 DWPPGCZUOZFHMX-UHFFFAOYSA-N 427.547 5.331 0 40 IKAB COc1cccc2sc(N(Cc3ccccn3)C(=O)Cc3ccc(Cl)s3)nc12 10061330 VRAZSICITRIHGO-UHFFFAOYSA-N 429.954 5.191 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(C)ccc4C)cc3C[C@H]2C)cc1 10326577 GPWDSDSFXZTMIM-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 10700902 SIFPUXMDVSZFLK-UHFFFAOYSA-N 426.541 5.785 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCCO1)c1nc2c(F)cccc2s1 10884011 NVBJIQVQNDAQCB-SECBINFHSA-N 431.341 5.630 0 40 IKAB COc1cc(C(=O)CCNc2ccc(Oc3ccc(Cl)cc3)cc2)cc(OC)c1OC 12418496 WDCBUZQBEHTVMH-UHFFFAOYSA-N 441.911 5.843 0 40 IKAB biogenic,in-vitro O=C(O)c1cc(Cl)cc2c1N[C@H](c1cccc(OC(F)(F)F)c1)[C@H]1[C@@H]2[C@H]2CC[C@@H]1C2 12428833 MDYBVKDISQFLKR-SUIZGZGYSA-N 437.845 6.233 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1Cc1ccc(F)cc1 12538650 ISMMSHNMHZJTAO-LJQANCHMSA-N 433.914 5.393 0 40 IKAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1 12660533 PKAZYPKWKYZJHA-MHZLTWQESA-N 444.596 6.994 0 40 IKAB CCCCCN1CC(=O)N2C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12869211 CYKREKBXJDOCIW-SIBVEZHUSA-N 449.982 5.043 0 40 IKAB biogenic CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(COc4ccccc4)cc3)n2)cc1 13100807 QSEPEHUUBHWHMK-UHFFFAOYSA-N 443.528 5.600 0 40 IKAB O=C(Nc1ccc2oc3ccccc3c2c1)c1cc(-c2ccccc2)nn1-c1ccccc1 13102634 VGMGXTBCAYKNLL-UHFFFAOYSA-N 429.479 6.691 0 40 IKAB CCn1c(S[C@@H]2C[C@@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13127007 NNHYSSVJYGBLAH-OPAMFIHVSA-N 444.560 5.285 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1OC 13149999 QRRTYRXIUVNWRK-UHFFFAOYSA-N 438.578 5.603 0 40 IKAB Cc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(C)c(C)c3)c2Br)cc1C 13960719 LCGQWTDBBVBYFK-UHFFFAOYSA-N 445.404 7.262 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CCC(=O)c1ccc(-c2ccccc2)cc1 14230732 GZMIXRVKCPBOCF-UHFFFAOYSA-N 428.532 5.030 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(SC(F)F)cc1 16044082 ZXLBXLUPBGMIOM-UHFFFAOYSA-N 427.472 5.315 0 40 IKAB Cc1cccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 17094313 JPWDBQLYNSALSE-UHFFFAOYSA-N 425.334 7.328 0 40 IKAB Cc1ccc(C)c(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 17099440 XAJZBLXNXWVOPL-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB C[C@H]1C[C@@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19463353 FSDMSBUNAOBSQO-HEHGZKQESA-N 434.487 5.186 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 20459117 ABVJYQYAPHWDRC-LJQANCHMSA-N 426.409 5.817 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCc1ccc(F)cc1)C3 20502881 PSBRDPUWTUNEGQ-UHFFFAOYSA-N 429.491 5.226 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N(C)c4ccccc4)sc3c2)cc1 20894830 JESLAUVRHNYJEI-UHFFFAOYSA-N 447.585 5.612 0 40 IKAB COc1cc(OC)cc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)c1 21730636 PQQDAZUBWAOKEP-UHFFFAOYSA-N 443.528 6.248 0 40 IKAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc3c(c1)c1ccccc1n3CC)cn2C 22237385 NOVXFRVKHUUXHQ-UHFFFAOYSA-N 439.515 5.317 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2sc(N(C)c3ccccc3)nc2C)CC1 22245428 BMOSQBQDYBPFDS-UHFFFAOYSA-N 441.000 5.144 0 40 IKAB COc1ccc(CSc2c([N+](=O)[O-])nc(C)n2Cc2ccccc2)cc1Br 27246772 DIFHDTMEWDWZQF-UHFFFAOYSA-N 448.342 5.211 0 40 IKAB Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 31812762 LRJBRYUJQHNIEV-UHFFFAOYSA-N 438.484 5.347 0 40 IKAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N3CC=C(c4c[nH]c5ccccc45)CC3)c12 32907967 QZHWHRGSVMIGFP-UHFFFAOYSA-N 447.542 5.355 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)cc1Cl 40005499 YIMIVYFDINGWSJ-QRQCRPRQSA-N 435.911 5.160 0 40 IKAB O=c1c2sc3ncccc3c2nc(SCc2ccc(F)cc2)n1Cc1ccccc1 45923542 SADUAVOYTLONML-UHFFFAOYSA-N 433.533 5.486 0 40 IKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CC=C(c3ccccc3)CC2)cc1Cl 58219024 ODRMWOHSTVNXOY-VWLOTQADSA-N 432.951 5.818 0 40 IKAB O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 67295063 NDZQHIIHPKGWIX-DAFNUICNSA-N 438.256 5.214 0 40 IKAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cccc(NC(=O)c2ccco2)c1 69949976 CFHQTFVCOATJHC-UHFFFAOYSA-N 446.507 5.192 0 40 IKAB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2ccco2)C(=S)N1c1cccc(C)c1 101354146 SWKGBVHXHLXKRF-KOSHJBKYSA-N 434.517 5.084 0 40 IKAB COc1ccc(C2=C[C@H](c3ccccc3Cl)n3nc(C(F)(F)F)nc3N2)cc1OC 101513511 KHSQMTCNFIXUTR-OAHLLOKOSA-N 436.821 5.024 0 40 IKAB CCOc1ccccc1-c1cc(-c2cc(C(=O)O)ccc2OC)nn1CCc1ccccc1 103298752 XXXQKQMKMWYOBR-UHFFFAOYSA-N 442.515 5.565 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)cc1 216302698 ZSIHREMWRXNWGX-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 223180266 DHJVGLGIVHKSKL-OAQYLSRUSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223329688 LBYIEAGLEXNHNK-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223715352 HSNODDOIGXLDPN-SANMLTNESA-N 444.619 5.537 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 223747108 LEKMTUBYWADFIR-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223804928 RSVJDDFBTWDGAA-QFIPXVFZSA-N 448.651 5.701 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224005309 XFUHRPVMVKVRPR-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc2c(c1)OCO2 224034016 VPAYFEZBXIIUIL-BJKOFHAPSA-N 446.576 5.294 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 224196834 YMVVNIXVOMXALD-DNQXCXABSA-N 444.991 6.011 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224643676 UKSYVIPSAOFDAR-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225329166 XTPRZNIMLRZWLC-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB COc1ccc(CC(=O)Nc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1OC 225336640 VMCLIZXUORDFRU-UHFFFAOYSA-N 431.517 5.071 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 225357920 LNKVATVCFIAZOX-LOSJGSFVSA-N 446.620 5.963 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OCC 225761092 LTWVOVFQWFGYOE-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1C 225790593 OCWBXXPHVNUJFV-CYBMUJFWSA-N 427.795 5.473 0 40 IKAB O=C(Nc1ccc(OC2CSC2)cc1)C1(c2ccc(Cl)cc2)Cc2ccccc2C1 225934473 DHOWOUKOWLCJGW-UHFFFAOYSA-N 435.976 5.510 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5ccncc5c4)CC3)CCOCC2)c1 257222240 DSNMGIFKAPCWDD-HSZRJFAPSA-N 442.603 5.463 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4cccc5c(C)c(C)[nH]c45)CC3)o2)cn1 257267970 MJSSFRZRMOHOSQ-WGSAOQKQSA-N 443.551 5.242 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCC2 408575759 QJURNVIPWOMIPH-UHFFFAOYSA-N 437.586 5.958 0 40 IKAB CC1CCC(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 408647154 BGEVIEQTYWXRNE-YRCXRUNISA-N 440.370 5.158 0 40 IKAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408678993 HIMFXGAVSZYWPE-KRWDZBQOSA-N 428.381 5.209 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2cccc(C)c2)cc1 408696297 ZKOIHXHVRMHPSS-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)c(C)c1 408699495 UNHFWNLJTSVZOW-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1C 408978859 NULSRNNTFRFTAO-UHFFFAOYSA-N 446.514 6.015 0 40 IKAB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)NC1=S 409076937 CQFBGYMCULWRDF-YVLHZVERSA-N 439.339 5.179 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409164209 DZXGHBWBGJIYPA-KVMVOAJRSA-N 444.940 5.192 0 40 IKAB O=C1S/C(=C/c2ccc(I)cc2)C(=O)N1c1cccc(Cl)c1 409214393 SVMFBDXNYHRQBG-RIYZIHGNSA-N 441.677 5.186 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 1083103380 QDTHBJRRNHWFTN-VLHNATBGSA-N 443.591 5.906 0 40 IKAB Cc1ccc(Cn2c(=O)c3sccc3n(Cc3ccc(C(C)(C)C)cc3)c2=O)cc1C 1565523834 XZQPZURILUMWHA-UHFFFAOYSA-N 432.589 5.236 0 40 IKAB Cc1ccc(-c2csc(N(C[C@H]3CCCO3)C(=O)COc3ccc(Cl)cc3)n2)cc1 932707 SDAFYJSEQAJNBC-HXUWFJFHSA-N 442.968 5.363 0 40 IKAB COc1cc(/C=C/C(=O)Nc2nc(C)c(C(C)=O)s2)ccc1OCc1ccccc1C 938672 APYQJZBLJGVLDG-ZRDIBKRKSA-N 436.533 5.202 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1C 1435729 GLAFXXOVNFFXOD-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1sc(Nc2ccccc2)nc1-c1ccccc1 1466046 OCSUKJOLOLVESL-UHFFFAOYSA-N 429.501 5.577 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccccc4)ccc3c2=O)c1 1770011 PVFYLKCLEQDOHB-UHFFFAOYSA-N 426.390 6.492 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)c1 1804153 KZOGWGCBWCPESJ-UHFFFAOYSA-N 448.613 5.899 0 40 IKAB COC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3Cl)c(C(F)(F)F)oc2c1 1904879 SHSCORBZRCTJEH-SNVBAGLBSA-N 426.774 5.073 0 40 IKAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c2ncc(C(=O)c3cc(Cl)ccc3O)cc12 2218145 IGWRVAPQTPCXBN-UHFFFAOYSA-N 432.694 5.626 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)N(C)c4ccccc4)ncnc3c2c2c1CCC2 2255028 CTXYQQYJXZZOET-UHFFFAOYSA-N 448.617 5.607 0 40 IKAB S=c1[nH]nc(Nc2ccccc2Br)n1-c1ccccc1Br 3121870 SBOZEKVHMDKAOA-UHFFFAOYSA-N 426.137 5.198 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)cc1OC 3284133 KJXNHEKIMWVEDE-UHFFFAOYSA-N 428.897 5.788 0 40 IKAB O=C(Cc1ccc(Br)cc1)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3316110 SKMCYNACRCSDTM-XMMPIXPASA-N 448.316 5.640 0 40 IKAB CCC(CC)c1nnc(NC(=O)c2ccc(Cl)c(NC(=O)c3cccs3)c2)s1 3345084 VQGAYNNHHSWPLY-UHFFFAOYSA-N 434.974 5.661 0 40 IKAB CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 3345596 CKEVYBPVPYVGAP-UHFFFAOYSA-N 426.611 5.191 0 40 IKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658749 OACRKUQJSHASPK-MRXNPFEDSA-N 433.533 5.140 0 40 IKAB O=C(NC[C@H](c1ccccc1)C1CCCCC1)NC1c2ccccc2Oc2ccccc21 4760918 GVLIBYKYYQSRNA-XMMPIXPASA-N 426.560 6.545 0 40 IKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 4981598 ABUKBCAATVFRLI-RDNBXWRASA-N 427.544 5.441 0 40 IKAB Cc1cccc(NC(=O)[C@H]2Cc3ccccc3N(CCCN(C)C)c3ccccc32)c1C 5337820 ZOVPLOJFYGTIOU-DEOSSOPVSA-N 427.592 5.672 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@H](C)C(=O)Nc2ccccc2C)cc1 6280292 GWWIPPDTJASOSZ-HXUWFJFHSA-N 442.588 5.594 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 6973393 WCRYHSNIGWWFMM-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB CC(=O)C1=NN(c2ccccc2Cl)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8919647 UVSQOFWKWRCZGI-DEOSSOPVSA-N 446.963 5.850 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2cccc(Cl)c2)CC1 9063337 BBIZELOSHLPUMF-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)c1 9130593 QVUVNNOTTRDFNL-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB c1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 9216353 IKTKMTLJQYODMU-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 9250131 IQNYRJJGYPTQAX-UHFFFAOYSA-N 434.561 5.633 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 9256256 SHZYMOVLDUHARX-UHFFFAOYSA-N 434.590 5.628 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355542 CKFLBURPIRFVSR-SLQAJWMNSA-N 446.525 7.280 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 9357879 GYFFWCFUVULZGK-QHCPKHFHSA-N 426.479 6.230 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)CSc1nc(-c2ccccc2)n[nH]1 9426741 GNTHVKZUVRDGHQ-UHFFFAOYSA-N 431.359 5.088 0 40 IKAB O=c1[nH]c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2ccsc12 9503927 UQQDEMCHCFIONF-UHFFFAOYSA-N 443.985 5.304 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1F 9545723 CWWPWGKCZTXYIY-UHFFFAOYSA-N 425.435 5.445 0 40 IKAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)cc1 9666708 DKEPOWKFZSNNCK-INIZCTEOSA-N 433.577 5.283 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 9714153 LDCQYQXDYJTRGV-HSZRJFAPSA-N 448.519 5.009 0 40 IKAB O=c1oc2cc(OCc3ccccc3C(F)(F)F)ccc2cc1-c1nc2ccccc2[nH]1 11867637 GUUONMBCDYORFH-UHFFFAOYSA-N 436.389 5.934 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5cccc(OC)c5o4)ccc3o2)cc1 12296834 RZOZXSQKFGZRSL-UHFFFAOYSA-N 441.439 5.476 0 40 IKAB biogenic CN(Cc1cc2ccccc2n(C)c1=O)C(=S)Nc1cc(C(F)(F)F)ccc1Cl 12408641 DOWBYPFALFWPTQ-UHFFFAOYSA-N 439.890 5.040 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc3c(c12)CN(Cc1ccccc1)CO3 12413729 LOVRFIQOQHNIFI-UHFFFAOYSA-N 426.516 5.468 0 40 IKAB COc1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)cs2)c2ccccc2)c1 12638372 DCKKQKKPEDUZNV-JOCHJYFZSA-N 432.570 6.291 0 40 IKAB CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccc(C)cc1 12743647 ZQPHXLWSKNEMDJ-VWLOTQADSA-N 444.575 5.277 0 40 IKAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 12903107 XVGJSDHKQNHTNZ-MRXNPFEDSA-N 427.529 5.619 0 40 IKAB CCn1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(=O)c2ccc(C)nc21 16044692 VFCGZOUIQXYFMP-UHFFFAOYSA-N 441.575 5.445 0 40 IKAB O=C1c2ccccc2C(=O)N1CCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492191 AKILFLIOZYJJNS-UHFFFAOYSA-N 426.497 5.397 0 40 IKAB C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1Cl 16577321 IFSQQFNRMGQSIP-SFTDATJTSA-N 434.761 5.664 0 40 IKAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 17095649 GRVYMCKFWNCHGC-UHFFFAOYSA-N 427.913 5.075 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2c1 17097845 ILCCBJQRJJEZDH-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB Cc1nn(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c(C)c1Cl 17098308 OWBHTMICXIBHDL-UHFFFAOYSA-N 433.289 6.121 0 40 IKAB C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 20493425 FRBZJKUVQALIQZ-FQEVSTJZSA-N 433.617 6.646 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 20895025 OZXUQPVCDMIUJP-UHFFFAOYSA-N 441.622 6.019 0 40 IKAB Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12 22852514 UQUHWADHGOMIMY-INIZCTEOSA-N 449.363 5.639 0 40 IKAB COc1ccc(N[C@@H](c2ccncc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770934 NBRUDUVEDBEQGO-DEOSSOPVSA-N 443.572 6.222 0 40 IKAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1c(Cl)cccc1Cl 32100457 YQHFUNCDLVOOMU-UHFFFAOYSA-N 445.331 5.338 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccccc1F 32204031 NBNGPXZBEFVVPD-UHFFFAOYSA-N 425.872 5.414 0 40 IKAB O=C([C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1)N1CCCC1 32741664 JZHVDQCESPXVLU-DEOSSOPVSA-N 425.557 5.753 0 40 IKAB CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3cccc(F)c3)c2c1 32985757 OZEFFSILLUNYNM-UHFFFAOYSA-N 444.462 5.235 0 40 IKAB Cc1cc(C(=O)NC(=S)Nc2ccc(-c3ccccc3)cc2)ccc1Br 33616435 VAYPGMYQVJUTIH-UHFFFAOYSA-N 425.351 5.551 0 40 IKAB Cc1cc(OCc2ccc(C(=O)NC34CC5CC(CC(C5)C3)C4)o2)c(C(C)C)cc1Cl 36611121 LAOGNQFFOIGRIZ-UHFFFAOYSA-N 441.999 6.642 0 40 IKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 48290962 XSKNEDRFYCKZQJ-QGZVFWFLSA-N 441.988 5.067 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1C 59010447 OVJAJFUWTYDXJT-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB CCC(CC)(NC(=O)Nc1cccc(N2CCNC2=O)c1)c1ccc(Cl)c(Cl)c1 72271077 ZYMLVRIAGWGJIM-UHFFFAOYSA-N 435.355 5.360 0 40 IKAB CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OCC 72331221 KDCPQDSYZHOSEQ-UHFFFAOYSA-N 444.575 5.031 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)cc1C 104710215 JNBOWFARIFYURZ-HMAPJEAMSA-N 436.433 5.962 0 40 IKAB Cc1ccc(C(=O)[C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)cc1 106937320 PLPOQLSFCNESQK-ZJSXRUAMSA-N 447.332 5.510 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(C)c(C)c1 218799686 WJRXGVXPOPAVIX-OAQYLSRUSA-N 442.606 5.071 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222567470 PAJDMPUJJMXMAQ-URXFXBBRSA-N 440.653 5.242 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223774962 RFNKLZXGZNTELG-BJKOFHAPSA-N 445.519 5.666 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 224146027 KNADPIJZIYWOEP-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 224329875 CKKASHGYXNBPKX-CLJLJLNGSA-N 438.600 5.920 0 40 IKAB CCc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 224340848 VJAPTRJTGATVPK-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1Cl 224478947 UHZBGCODMMQJAF-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224846203 OSHZJRTVPJAXCN-NRFANRHFSA-N 435.395 5.116 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cccc(I)c1 224963136 PGICPFOYHWCJCK-UHFFFAOYSA-N 449.675 5.989 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(SC)cc3)no2)nc2ccccc2c1=O 225533975 XSIIJENJXHZZSX-UHFFFAOYSA-N 438.578 5.261 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccc(Cl)cc2F)CC1 225581089 IXDZWPYLFPMJNB-UHFFFAOYSA-N 443.719 5.231 0 40 IKAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2Cl)n1 225938680 BLARDCYCLGLNLK-UHFFFAOYSA-N 438.862 5.428 0 40 IKAB Clc1ccc(COc2ccc(-c3nc4cc(-c5ccccc5)ccc4o3)cc2)c(Cl)c1 226295258 UEDHHVWSKRNHMK-UHFFFAOYSA-N 446.333 8.048 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cn5cccc(C)c5n4)C3)c2)cc1 257266397 MCVSEVOQSZBGQK-NRFANRHFSA-N 440.547 5.042 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 408554463 FADAHHZKOYPXHR-HSZRJFAPSA-N 425.937 5.706 0 40 IKAB CCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)cc3)c(C)s2)n1CC 408561208 ZCMVOWWJEBXYDG-UHFFFAOYSA-N 429.615 5.112 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c(C)c1 408670993 RHUVVEFIXMQNFH-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB CC(C)N(C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)C(C)C 408975695 CHGJBWOMAFCIRY-UHFFFAOYSA-N 442.592 5.569 0 40 IKAB CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Oc4ccccc4)cc2)[C@H](O)c2ccccc2-3)C1 408992126 ZRECJGBEZUZXIR-GDLZYMKVSA-N 447.534 6.758 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)c(Cl)c2)c1 409094519 DMLAHOKQGSWZKS-UHFFFAOYSA-N 440.399 6.766 0 40 IKAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409241566 YJVQTWKULLINLL-FYJGNVAPSA-N 440.952 5.416 0 40 IKAB CCCCCC(=O)N1CCCCN(CCC)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643562515 YNJAYWVNCJWKSW-VWNXMTODSA-N 428.617 5.432 0 40 IKAB Cc1cc(OC[C@@]2(O)CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(C)c1Cl 2037912724 WYJUFBJAGNYGOK-JOCHJYFZSA-N 440.342 5.186 0 40 IKAB O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 2037978376 STFNFZJAKGOQFA-RUZDIDTESA-N 431.605 5.070 0 40 IKAB CCCCCCn1c2cc(-c3ccc(O)cc3)ccc2c2ccc(-c3ccc(O)cc3)cc21 2049305471 PBCDSYXRJVXCLF-UHFFFAOYSA-N 435.567 8.120 0 40 IKAB COc1ccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)c(OC)c1 2055738856 VZHPMVGOVNTGKW-UHFFFAOYSA-N 428.532 5.030 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2cc(OC)ccc2nc1Cl 1301689 WSRDASNPLOQHBS-FQEVSTJZSA-N 428.319 5.638 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1cccs1)C(=O)Cc1cccs1 1333695 QRXMCOKUCLIYPV-NRFANRHFSA-N 444.647 5.243 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 1371060 MVUIHSXSZBLPEI-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB COCCn1c(C)cc(C(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1C 1805638 ADRUJTTXEDIKAS-UHFFFAOYSA-N 437.590 5.398 0 40 IKAB Cc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 1830490 XAQCGFWEKGEMSB-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB C/C(C=NNC(=O)CCC(=O)Nc1cccc2ccccc12)=C/c1ccc(C(C)C)cc1 2100061 NCSWDZUXLJNPKJ-MQZDSHHCSA-N 427.548 5.887 0 40 IKAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 2108820 CDPOBZIMHLARGH-QLWPUQSHSA-N 434.580 5.291 0 40 IKAB biogenic CC(=O)OC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 2125015 DGCXQKBLGRZRTK-MPWFCOHESA-N 426.685 8.085 0 40 IKAB biogenic CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1cc(C)c(C)cc1C 2184826 QJYAWOBZEIHZBX-UHFFFAOYSA-N 441.549 5.391 0 40 IKAB CCCCOc1ccc(-c2nc(SCC)c3c4c(sc3n2)COC(C)(C)C4)cc1 2222992 JQGZDLAWMNKDSA-UHFFFAOYSA-N 428.623 6.501 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 2256487 QUCLTTRYVNDGBS-XZOQPEGZSA-N 442.519 5.699 0 40 IKAB C[C@@H](NC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12)c1ccccc1 2312619 GUIXXSNGOREYCZ-OAHLLOKOSA-N 441.922 5.300 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(Cl)cc2C)cc1 2321175 OMARSGMTFGLYKZ-UHFFFAOYSA-N 434.923 5.503 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1sc2ccccc2c1Cl 3669850 MFEIQOGCXRQTDS-UHFFFAOYSA-N 449.306 6.354 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 4089848 BOZKOANPBUIAAU-UHFFFAOYSA-N 446.359 5.115 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Br 8606320 FGWDYDULAGCHBY-UHFFFAOYSA-N 438.281 5.222 0 40 IKAB CCCC(CCC)NC[C@@H](O)c1cc(-c2ccc(C(F)(F)F)cc2)nc(C(F)(F)F)c1 8649021 WFIGIHLIIHVMGS-LJQANCHMSA-N 448.451 6.378 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1C 8810208 YUYGFGQOVRUZAL-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)nc12 8832037 DBBYANHRIYAOEI-JXMROGBWSA-N 443.355 7.132 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2cccc3ccccc23)cs1 8832055 IGKFCFZYRZSBKV-UHFFFAOYSA-N 442.584 7.029 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)n2)cc1 8832069 OVOFXCYCVGJATA-UHFFFAOYSA-N 445.327 6.638 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C 9059457 TXXDRNPFIGKKPH-OAHLLOKOSA-N 431.483 5.899 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(OCC)cc2)nnc1-c1ccc(Cl)cc1 9139658 BZMIBQCEOLKNIX-UHFFFAOYSA-N 430.961 5.138 0 40 IKAB Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 9250056 UEGLJIAJTVCWNY-LJQANCHMSA-N 433.577 5.229 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)c1ccco1 9256747 BRKKWUVVNFBPIS-UHFFFAOYSA-N 431.517 5.161 0 40 IKAB COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC 9340192 UHYPESCUOVVMLU-UHFFFAOYSA-N 437.879 5.292 0 40 IKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(C(=O)c2ccccc2)cc1 9404705 JRYHVLJLMSNWLG-UHFFFAOYSA-N 441.508 5.685 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2nc3c(cc4c5c(cccc53)CC4)s2)cc1 9404841 YYVLPFDSRRTVJQ-UHFFFAOYSA-N 445.613 5.972 0 40 IKAB CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2ccc(Cl)cc2s1 10067692 OWOSOMDBOPKRAA-UHFFFAOYSA-N 430.986 5.158 0 40 IKAB COC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 11617270 XHWBWKJGHUYPNO-UHFFFAOYSA-N 444.512 5.526 0 40 IKAB CCc1nc(S[C@H](C)c2nnc(-c3cccs3)o2)nc(N)c1-c1ccc(Cl)cc1 12564093 INOQWENHHHVPFX-LLVKDONJSA-N 443.985 5.906 0 40 IKAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 12621962 OFTRUDQERDJDFR-UHFFFAOYSA-N 437.399 5.178 0 40 IKAB CC(C)CNCC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F 12858420 ZFVJXWWGEUTNQO-UHFFFAOYSA-N 445.279 5.444 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)Nc4nc(-c5ccccc5)cs4)CC3)c2c1C 13017607 IRVRVRVHVXYETQ-UHFFFAOYSA-N 449.605 5.287 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1c(C)cccc1C(C)C 13038923 JTFKCSCPZBOQRM-UHFFFAOYSA-N 436.383 5.324 0 40 IKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)c(C)s3)c(=O)oc2c1 13403724 DRGWMFCSIFSHHA-UHFFFAOYSA-N 446.311 6.124 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C)c(C)c4)n2)COC(C)(C)C3)cc1 13513521 AXDXZUICIDURDB-UHFFFAOYSA-N 447.604 5.651 0 40 IKAB Fc1cccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)c1 13562657 PPORWPJZNSFIOD-UHFFFAOYSA-N 426.417 5.655 0 40 IKAB Fc1ccc(-c2nc(-c3ccc(F)c(Br)c3)[nH]c2-c2ccc(F)cc2)cc1 13617318 IGBZQYINGKICCY-UHFFFAOYSA-N 429.239 6.591 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3oc4ccccc4c3CSC)cc2)cc1 14228078 QYQMBWDTUXJRDH-UHFFFAOYSA-N 446.528 5.809 0 40 IKAB CN(C)c1ccc([C@H](CC(=O)c2ccccc2)Sc2ccc(Cl)c(Cl)c2)cc1 15023766 OJQZBDOGEZTBIJ-QHCPKHFHSA-N 430.400 7.166 0 40 IKAB C[C@@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 16576196 DSIQBGKJECUQGB-GWKODMSMSA-N 444.446 7.267 0 40 IKAB Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 16840643 ARLXTVIGKDCZQS-UHFFFAOYSA-N 442.519 5.728 0 40 IKAB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 17098343 YADVCFIJDPEZLO-UHFFFAOYSA-N 433.360 6.305 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17860198 BPCKCISMEYBLFD-SMIHKQSGSA-N 426.516 5.035 0 40 IKAB Nc1c2c(nc3c1c(-c1ccccc1)c(-c1ccccc1)n3Cc1ccccc1)CCCC2 18143568 CCPKQYGFQXIHDO-UHFFFAOYSA-N 429.567 6.880 0 40 IKAB C[C@H]1CCCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)C1 19496636 PLNUAKYXAQBNBW-NZQKXSOJSA-N 447.627 5.061 0 40 IKAB CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cc(OC)ccc1OC 19841347 KUMJMHXPCWQTMQ-UHFFFAOYSA-N 449.547 5.076 0 40 IKAB biogenic CCCCCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20130446 XUOPURGJCRZKII-UHFFFAOYSA-N 425.602 5.293 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 20766365 JPDHNNLUUBKVDC-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCCCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 22482988 NARWGPJLQATHRL-NRFANRHFSA-N 448.998 5.995 0 40 IKAB O=C(Nc1cccc(C(=O)NC2CC2)c1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 23079910 KCYAXJYAFVMEHP-HZHRSRAPSA-N 448.469 5.360 0 40 IKAB COc1ccc(-c2ccc(CCC(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)o2)cc1 25617205 VPEHYDDKISMZJJ-JOCHJYFZSA-N 435.520 5.269 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 26124527 DWNOUPHJMIJWTC-UHFFFAOYSA-N 442.906 5.796 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 28288504 PLEMHEILNWOQQR-KRWDZBQOSA-N 438.593 5.242 0 40 IKAB O=C(Nc1ccccc1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Br)cc1 28527178 DGRSCZQHTRXFDJ-UHFFFAOYSA-N 440.345 5.006 0 40 IKAB CC(=O)c1cc(F)ccc1OC(=O)c1nc(SCc2ccc(F)cc2)ncc1Cl 32624095 YCAJDAMLAHYLKS-UHFFFAOYSA-N 434.851 5.122 0 40 IKAB CCn1nccc1NC(=O)C/C(=C/c1ccc(OC)c(OC)c1)c1nc2ccccc2s1 32982003 AGEFYOQLHMMNLM-LGMDPLHJSA-N 448.548 5.099 0 40 IKAB CCOc1ccc(-c2csc(-c3nnn(-c4cccc(C(F)(F)F)c4)c3N)n2)cc1 38486796 ARYUPXAUJQHCSZ-UHFFFAOYSA-N 431.443 5.058 0 40 IKAB Cc1ncc(NC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1nc(-c2ccc(F)cc2)cs1 41124352 YXGVNWSJMFINEJ-UHFFFAOYSA-N 436.556 5.598 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44852881 SVHYNMZSRORHPT-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2cccc(Cl)c2)c1 57472652 IQKGFHFOTZIQNK-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c(C)c1 57488578 VXLQJIXKNJLCRY-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1Cc1ccccc1F)CC2 57719575 SAHVSXRHDGTDAB-UHFFFAOYSA-N 436.552 5.466 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cc1 58326748 XQXWWQAAORWQRP-UHFFFAOYSA-N 438.491 5.245 0 40 IKAB C[C@@H](O[C@@H]1OCCN(Cc2ccccc2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 95950579 KVPJNHLVRGUYGQ-YJYMSZOUSA-N 447.375 5.187 0 40 IKAB COc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 101054904 MXIRVGLZZCTMMC-YDNHHRFVSA-N 433.507 5.119 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c(C)c1 108257655 JSSADHOKCQPUHW-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(Br)C(C)=O 118924387 WDDPCUNSIABLCD-WSWZUSLFSA-N 439.434 5.684 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118935140 KDJPNDQOTCHXMI-IBSXMJBXSA-N 446.716 7.010 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 169684120 DQGDTCJGHWXRNJ-RYRKJORJSA-N 440.897 5.602 0 40 IKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2c(Cl)cccc2Cl)CC1 222876331 KHTHPGWNXQGLIY-UHFFFAOYSA-N 427.375 5.675 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222909585 ZMMWCZXTPDPTGN-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223028683 JHZHRJBESFSLFY-UXHICEINSA-N 448.375 5.267 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223130522 YGVROSCGLDBGJL-UXHICEINSA-N 426.576 5.214 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 223568406 UOXNZXHOIVUGBW-WOJBJXKFSA-N 442.559 5.462 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(=O)(=O)c1cccs1 224238226 MVMMLBGOERNNFM-UHFFFAOYSA-N 448.569 5.077 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224408317 VKLMGWAHHUSCQA-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224551419 BLUKAWIKPDAVQB-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224611039 BBDBZTLCAKSBCB-DNQXCXABSA-N 426.545 5.063 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C1CC1 225038019 JJRRVJFBBANHFH-DQEYMECFSA-N 445.636 5.310 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)c(C)c1 225057866 DDODKLHBAHGSCS-AREMUKBSSA-N 434.624 5.411 0 40 IKAB COc1cccc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)c1 225253781 LQTPHSRDJMZNGQ-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB O=C(CCc1ccccc1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254307 LXTQWENASZOXFQ-KGENOOAVSA-N 425.554 5.532 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225519753 ZJIGUXCYIACWDT-ATIYNZHBSA-N 436.640 5.773 0 40 IKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225526174 OJJWJGAKEWFSDE-HXUWFJFHSA-N 441.015 6.044 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)ccc1OCc1ccccc1 225580828 HUJWKJTVFPKODV-UHFFFAOYSA-N 435.951 5.914 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)c1 225609937 MYSLLCHNISBJCV-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1O[C@H](C)CC 225761231 ONAKYMSRFFCWMH-GOSISDBHSA-N 441.543 6.020 0 40 IKAB O=C(c1cc2c(s1)CCCC2)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 257247209 IXYGCLNYEBBCPP-LJQANCHMSA-N 444.560 5.593 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2C)cc1 408605472 HHRRKMRALOLITM-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c1C 408617154 HYNDGICYPIAENZ-UHFFFAOYSA-N 449.016 5.600 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc(Cl)c1OC 408618176 DTVBUKFVBCGHEC-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 408622968 QHWDCROUYVTBJH-NFJKTXFASA-N 434.322 5.564 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 409011508 GVCVLOSOCAKLRD-QAIWHXNASA-N 445.968 5.941 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2)C1=O 409156605 KVMUNPDPTLZWBD-HYARGMPZSA-N 446.528 5.222 0 40 IKAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1C(F)(F)F 585151841 VPLCPVSACHLESW-UHFFFAOYSA-N 435.452 5.178 0 40 IKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1Oc1cnccn1 2332242672 HNVXOIQSKXZPMN-DDOAZUFRSA-N 445.611 5.046 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 673989 AAQBEMQPWKWIDS-WFASDCNBSA-N 426.851 5.511 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccccc1)Nc1cccc2ccccc12 862963 QIDHHZOZAXWXKU-UHFFFAOYSA-N 437.528 5.213 0 40 IKAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)N(c1ccccc1)c1ccccc1 875953 OPPILZQHYZTVPQ-UHFFFAOYSA-N 435.480 5.245 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 1224486 FLSYGTGZNCKAKK-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3cc(C)cc(C)c3n2)cc1 2079770 XOONJFYHNZCAMO-UHFFFAOYSA-N 432.523 6.933 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407470 XZKWLYBIFGTLHH-QFIPXVFZSA-N 431.463 5.568 0 40 IKAB Cc1sc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)nc1-c1ccccc1 2440502 PSHRUGGEIHWGEJ-NHFJDJAPSA-N 438.508 6.493 0 40 IKAB CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1ccccc1 2627648 YKDCZFLDFXNCNJ-UHFFFAOYSA-N 442.588 5.286 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc(C(C)=O)c1C 2737605 QTUOIDWHDOSUTK-UHFFFAOYSA-N 435.954 5.865 0 40 IKAB Cc1ccc(Oc2c(COC(=O)Nc3cccc(Cl)c3)c(-c3ccccc3)nn2C)cc1 3135106 LIZUNBMEFSCHDR-UHFFFAOYSA-N 447.922 6.590 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 3285504 XQSDMGQSXCSQJD-UHFFFAOYSA-N 447.535 5.967 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c3c(sc2n1)CCC3 3307853 JCQNNFGGHWFIAC-SECBINFHSA-N 438.405 5.915 0 40 IKAB O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3315635 SOKOZOZXFCIPPS-UHFFFAOYSA-N 426.274 6.705 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 4385059 GCENONUOEWPTQS-OAQYLSRUSA-N 425.532 5.312 0 40 IKAB COC(=O)[C@H]1C[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1(C)C 5230498 HEASRFZDYCISJY-AVYALKLLSA-N 442.728 8.063 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 5484594 HXHAMMZQDAQTBO-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1nc(-c2ccccc2)cs1 8435596 YZXFYWLAADSHLJ-UHFFFAOYSA-N 428.926 5.244 0 40 IKAB Brc1ccccc1-c1nnc2sc(C(c3ccccc3)c3ccccc3)nn12 8453214 WAGKWICZWWCEBA-UHFFFAOYSA-N 447.361 5.796 0 40 IKAB COc1ccc(N[C@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@@H](C)O2)cc1 8763954 OWKYCHXIPTVBLP-ALRVBVLOSA-N 426.247 5.587 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)C1 8783314 ATZFDDWHFVQWFV-RLACGHOJSA-N 441.571 5.606 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@H]21 8790965 WKRYGEUBDXPPFD-UUOWRZLLSA-N 444.918 5.529 0 40 IKAB biogenic CSc1ccc(CN(C)C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1 8901068 YQBGQIPFHCETTL-UHFFFAOYSA-N 429.541 5.763 0 40 IKAB CCCCSc1nc(NCc2ccccn2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 9193213 PPXDWHDJBPMGIL-QFIPXVFZSA-N 428.627 5.832 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)c(C)c1 9404440 WZURKXXURPWWTK-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(-c3nc4ccccc4s3)o2)c(OC)c1 9477121 NOZLOJMJFOVULS-SFHVURJKSA-N 434.517 5.551 0 40 IKAB CCc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc12 9542570 RATYYZICRCQSMM-UHFFFAOYSA-N 426.394 5.189 0 40 IKAB COc1ccc(-c2noc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)n2)cc1 9581039 RLSYAKOHLKSJBQ-GFCCVEGCSA-N 440.550 5.274 0 40 IKAB CCOc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 9674137 ZGOPWHWTXAWJFJ-UHFFFAOYSA-N 436.562 5.330 0 40 IKAB Cc1cc(C)cc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)c1 9708829 BCEDPDWUKAVSPV-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB CCOc1cc(N2CCOCC2)c(OCC)cc1NCc1c(C)cc(C)c(C(C)=O)c1C 9727553 ARKWEJVFDBUCCT-UHFFFAOYSA-N 440.584 5.061 0 40 IKAB Fc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccccc2)cc1 10212819 MYFLHHCSWLZKRM-UHFFFAOYSA-N 429.480 5.416 0 40 IKAB COc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1 10381991 RQYSUVDWUSMVLE-UHFFFAOYSA-N 445.569 5.868 0 40 IKAB Cc1ccccc1COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccccc2)c(O)c1 11866325 RGPNHVAUHNXLQM-UHFFFAOYSA-N 436.433 6.422 0 40 IKAB biogenic COc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1OC 12486174 DINVMRKILWLQAS-UHFFFAOYSA-N 447.966 6.089 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 12919379 FPXJQOTZFUPRAH-HXUWFJFHSA-N 447.423 5.467 0 40 IKAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1Sc1ccc(Cl)cc1 13141777 XPEPGKZQXJRMOV-UHFFFAOYSA-N 448.931 5.835 0 40 IKAB Cc1ccccc1OCCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 13828238 LUJVJZSRLLHQGF-UHFFFAOYSA-N 433.596 5.443 0 40 IKAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 13995203 IWAOIEDUFTYJGZ-XCLFUZPHSA-N 443.956 5.122 0 40 IKAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)c(OC)c1 14182552 SFYHXXFPBHCTGH-LJQANCHMSA-N 444.988 5.083 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(Cl)c(Cl)c1 14356559 UCAPTAWKJPDYOP-UHFFFAOYSA-N 441.383 6.561 0 40 IKAB COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 16216967 HPXJJBYSNCWVKQ-MUUNZHRXSA-N 449.510 5.811 0 40 IKAB Cc1ccc(OCc2nc(C)c(C(=O)Nc3ccc(Cc4ccncc4)cc3)s2)cc1 17447572 KKSKXZUQPNTMPR-UHFFFAOYSA-N 429.545 5.577 0 40 IKAB O=C(C1CCCC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19294073 FAKXUMSICCUPPG-FQEVSTJZSA-N 445.542 5.318 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCCC2 19636360 IYYOAHJMECIAKP-UHFFFAOYSA-N 442.540 5.881 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC[C@@H]3C)c2c1 20381547 IQPOTCDMUATQBP-HNNXBMFYSA-N 430.957 5.108 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411056 MKHWGKWIJPEXNU-UHFFFAOYSA-N 443.484 5.556 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20459432 MFYMRANJYXBBFY-SANMLTNESA-N 438.527 5.566 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20494842 YQMGSFDCGBEPMN-JOCHJYFZSA-N 448.415 6.354 0 40 IKAB CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 22074191 SRFXEIZCXBDFRC-QGZVFWFLSA-N 430.375 6.822 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Br)cc1F 23039589 VLFZZWVZQNAEFG-UHFFFAOYSA-N 437.490 5.022 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1C(/C=C/c2ccc(Cl)cc2)=N[C@H]2CCCC[C@H]21 25326214 ZSRUAOVZKYBDSK-ZIZCKYNQSA-N 425.359 6.272 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Nc3ccc(N4CCOCC4)cc3)ccc21 25390119 MMNSXWVBKRHBCX-LJQANCHMSA-N 442.563 5.090 0 40 IKAB Cc1ccc(N[C@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 26779916 YAWXGPAFXBXPKZ-SKWUIDRYSA-N 449.850 6.599 0 40 IKAB CCc1ccc([C@@H]2c3c(-c4ccc(OC)cc4)n[nH]c3C(=O)N2CCc2ccccc2)cc1 32593541 PFXBSSOGGTXTSX-HHHXNRCGSA-N 437.543 5.436 0 40 IKAB O=C(Nc1ccccc1SCc1cc(=O)n2cc(Cl)ccc2n1)c1ccccc1F 33025875 WQVIZJFMCAIZCK-UHFFFAOYSA-N 439.899 5.032 0 40 IKAB CCOc1ccc(NC(=S)Nc2ccc(-n3nncc3-c3ccc(OC)cc3)cc2)cc1 35351584 RIBIVERWRHCNGV-UHFFFAOYSA-N 445.548 5.151 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 35402045 ANNQIRJVRHLMGR-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)o2)cc1 35679221 KDVXWHQYYFPFHU-UHFFFAOYSA-N 432.564 6.674 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 36048445 DQGDTCJGHWXRNJ-LZLYRXPVSA-N 440.897 5.602 0 40 IKAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(I)cc1Cl 40090829 DBNLKLLVGJLFJP-UHFFFAOYSA-N 438.652 5.160 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 44848620 JULYMEHGKFCSOB-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)N[C@@H](c1nc(-c2cccnc2)no1)C(C)C 69349082 PJAWHSGCKDLOEF-GOSISDBHSA-N 427.936 5.429 0 40 IKAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cccc(Cl)c3)CC2)o1 72344950 JLRQXDPLWPVGJR-NRFANRHFSA-N 445.007 5.202 0 40 IKAB CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1CO 72372712 MPOAODRKQATISC-JOCHJYFZSA-N 438.597 5.127 0 40 IKAB Cc1[nH]c2ccccc2c1CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2Cl)c1 78968742 NZDWHWIHKBSURA-UHFFFAOYSA-N 446.938 5.633 0 40 IKAB Cc1ccc2nc(-c3ccc(-c4ccc(Br)cc4Br)o3)[nH]c2c1 85345553 MCHZCVSYEDXNKN-UHFFFAOYSA-N 432.115 6.323 0 40 IKAB O=C(Nc1ccccc1Br)Nc1c(NC2CCCC2)c2ccccc2oc1=O 101094291 BJWWOFQXNDMNBG-UHFFFAOYSA-N 442.313 5.554 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 101559505 BDAAXGLGLLDSPE-NRFANRHFSA-N 444.575 6.383 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102733432 GWFDKPXTLMKEHJ-SVFBPWRDSA-N 439.298 5.045 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C2=O)cc1 106707742 NGEIDBCGXNKBBZ-IWIPYMOSSA-N 429.541 6.119 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 222841335 XKINELQJKNQBND-VQTJNVASSA-N 441.398 5.016 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 222882303 VFRFIYGTSZRYOQ-DFBJGRDBSA-N 430.548 5.536 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076922 IZOSBIWHBFXUMB-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C 223313001 LIBAQTBZBMOBRZ-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C 223436475 QGTHOQCKGIGSDW-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(C(C)(C)C)cc1 224181199 BZYSYWLOLFGVRK-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1C 224373897 DNVPBJSQAPCEDJ-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 224477248 CQCXSBBVSIULJK-NRFANRHFSA-N 435.395 5.096 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1c1ccc(Cl)cc1 224480526 ZUIDLKGQRIGZBI-XZOQPEGZSA-N 430.964 5.703 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1cccc(OC)c1 224590011 WLWOTHWUFYRKSB-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccc(C)c(C)c1 224626046 LLVHNMGOYQXGSJ-UHFFFAOYSA-N 431.576 6.658 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1)c1ccccc1 224985625 PRWJQBBJGXCEKQ-QGZVFWFLSA-N 436.939 5.627 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225055561 QDSRYLFDPVQJEZ-RTBURBONSA-N 447.044 5.214 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 225059269 WTDXBUNLIGDMKL-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CCc1nc2ccc(NC(=S)N[C@H](CC(=O)O)c3ccc(SC)cc3)cc2s1 225229742 FSDFLXFMFBZNIE-MRXNPFEDSA-N 431.608 5.083 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1Cl 225583618 AROVYFDHTGIYRG-UHFFFAOYSA-N 442.770 6.123 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@H]12 226807661 JPPPXYICMMZYFE-RRFJBIMHSA-N 436.341 5.257 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 239302619 FMHHFDNLURANAG-PMPSAXMXSA-N 440.897 5.602 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)O)n[nH]1 408633184 WWNLEFJSAASUBK-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408638230 BVDKRPIIOYZIFO-CQSZACIVSA-N 443.728 5.247 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408689149 XRUIJIDHFUUMPS-CQSZACIVSA-N 449.304 5.340 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3C)nn2-c2ccccc2)c1 408699290 VZWDKQDPZRCVSO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408720892 AKYSZDBWVRDBQA-UHFFFAOYSA-N 430.305 5.825 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408730026 DLOAPNKCFXTVLX-UHFFFAOYSA-N 448.953 7.717 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(Cl)cc2)cc1 409094612 DUUHYCDVLKHJHV-UHFFFAOYSA-N 435.980 6.587 0 40 IKAB CCc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 409095573 HSEMGGUVNBFNIB-UHFFFAOYSA-N 440.399 7.096 0 40 IKAB COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccc(C)cc1 409177126 BJGPFSZAGVAZTR-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccc(Cl)cc1 409190532 ZAGPMVORQBKFAT-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)cc1 409193891 GZXLYWUBXYEFNH-UHFFFAOYSA-N 430.932 6.157 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O 409358988 VEDSZXRTISTEKG-JAIQZWGSSA-N 445.371 6.443 0 40 IKAB Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c(Br)c1 518078874 LJQZRQLOYYWVGX-NSHDSACASA-N 444.156 5.222 0 40 IKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1-c1ccccc1)OCCO3 933043 JTASGQXXOFDQTE-UHFFFAOYSA-N 442.540 5.712 0 40 IKAB CSc1ccc(/C=C2\CCCC3=C2N=C2N=NNN2[C@H]3c2ccc(SC)cc2)cc1 1061089 YWRNSIBZFOHRGM-QMPJNXRZSA-N 433.606 6.250 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c(C)c1 1262880 XFEWTDMWFVAEJS-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB CCc1cc([C@H](c2ccc(F)cc2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 1298712 GXDXEDQFFMXWET-QHCPKHFHSA-N 437.584 5.039 0 40 IKAB CCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2cc(OC)cc(OC)c2)s1 1356604 WGKWMWLDMDQYCP-UHFFFAOYSA-N 445.544 5.556 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)O[C@H](Cn1cncn1)c1ccc(Cl)cc1Cl 1626317 CTKKZQPFOCEYLC-MRXNPFEDSA-N 446.121 5.882 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)Cc1cccc2ccccc12 1811753 AARFRCDKHZTGBW-UHFFFAOYSA-N 433.504 6.065 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 2067586 HPBISDCXBFBERC-LFVJCYFKSA-N 439.898 6.417 0 40 IKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N[C@@H](C)c3ccccc3)c2c1 2079749 NSDOSRPKXRXENT-IBGZPJMESA-N 428.963 6.971 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 2125518 HWKVFFGRFOYBHO-UHFFFAOYSA-N 443.909 6.148 0 40 IKAB biogenic Cc1c(OCc2c(F)cccc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2125809 FMLOXUSUWXFCHX-UHFFFAOYSA-N 446.405 5.732 0 40 IKAB biogenic COc1ccc(-c2c(C)c3c(n2C2CCCCC2)[C@@H](c2ccccc2)Oc2ccccc2-3)cc1 2186358 XHRUYPXOOUKRPZ-WJOKGBTCSA-N 449.594 8.126 0 40 IKAB CCn1c(NC(=O)c2ccc(Cl)cc2Cl)c(-c2cccs2)c(=O)c2ccccc21 2226143 YYZHSVVZBXSLEU-UHFFFAOYSA-N 443.355 6.309 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2344323 WTKOYKYCSPUADR-UHFFFAOYSA-N 437.724 6.570 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3c(=O)o2)c1)C(c1ccccc1)c1ccccc1 2378299 WDXZDCRWPVDPDW-UHFFFAOYSA-N 432.479 5.626 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 2550544 HCPSULAMSSKFQO-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 2620415 UBUZYVGHJZVECZ-QGZVFWFLSA-N 426.516 5.722 0 40 IKAB Cc1cccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 2733275 NDVPYKYTSPCBEM-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)cc1 2739963 TUBHLDGJZKKRMN-UHFFFAOYSA-N 439.515 6.725 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(Nc2cccc3ccccc23)sc1Cl 3192859 OODFVLAUBRRITJ-UHFFFAOYSA-N 435.357 6.180 0 40 IKAB Cc1ccc(-c2nn(CN(C)Cc3ccc(C)o3)c(=S)n2-c2ccccc2C(C)C)cc1 3453693 AEJCLDRWUVXYHA-UHFFFAOYSA-N 446.620 6.493 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c1 4122980 WDEWVLGETOKCEN-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CC(C)(C)c1ccc2c(c1)Oc1cc(C(C)(C)C)ccc1OCCOCCOCCO2 4524843 YORJPJYXKOOJQA-UHFFFAOYSA-N 428.569 5.878 0 40 IKAB Cc1ccc(NC(=O)OC/C=C\c2ccccc2)cc1NC(=O)OC/C=C\c1ccccc1 4771162 GXZKRNGRSMDMBL-SFGFDRCGSA-N 442.515 6.519 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 7978291 PPTAQMAZAYQVIF-LJQANCHMSA-N 425.532 5.701 0 40 IKAB COc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3Sc4ccccc4N32)cc1 8445291 KKYBTJTWIDCDHC-UHFFFAOYSA-N 431.361 5.245 0 40 IKAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 8817255 YUJGBZOSUCRAIS-GGAORHGYSA-N 425.315 6.244 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 8831431 PUNFPWWGQMHUDN-UHFFFAOYSA-N 445.588 5.292 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)cc1 9087307 TTZPYKRWQOMTEN-UHFFFAOYSA-N 429.545 5.604 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)c1ccc([C@H]2CC2(Cl)Cl)cc1 9145747 YIYRQCUYSZKBIQ-CQSZACIVSA-N 439.751 6.026 0 40 IKAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 9272226 WJCCCXZROPMQOV-UHFFFAOYSA-N 443.638 6.067 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 9327974 NYJCJWFMJLPWSP-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2)cc1 9390348 ADOBJIQHJDRIBY-QHCPKHFHSA-N 436.939 5.279 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1)c1cccs1 9454764 VQUIJZSCCRZUMB-SFHVURJKSA-N 433.558 5.587 0 40 IKAB COc1cc(C)ccc1OCC(=O)Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2 9490950 DEZWEUOIXKROJD-UHFFFAOYSA-N 447.560 5.505 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccc(CN3CCCCC3)cc2)c2ccccc2)c1 9516069 IDYCCDJTDBRBRE-MUUNZHRXSA-N 441.619 5.759 0 40 IKAB c1ccc(-c2cc(-c3ccc(N4CCOCC4)cc3)nc3sc4c(c23)CCCC4)cc1 9540629 FZOPMCFGAUYDPT-UHFFFAOYSA-N 426.585 6.346 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccoc1C 9953717 FGNVAUWXIODFSB-UHFFFAOYSA-N 434.521 5.390 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(F)c(Cl)c3)c2C)cc1 10314496 SXXIZGSZTYSLQG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OC(=O)c3ccco3)cc12 11866280 WHAZDAMSAZJMOS-UHFFFAOYSA-N 425.234 5.343 0 40 IKAB biogenic S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 12524165 AUADLSDKILZVSW-NRFANRHFSA-N 436.378 5.997 0 40 IKAB CN(C)C(=O)c1ccc(CNC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)cc1 12558159 WMEWSHHWEPFGKH-UHFFFAOYSA-N 441.453 5.081 0 40 IKAB O=C(NCCSCc1ccc(Br)s1)c1ccc(OC(F)(F)F)cc1 12682501 RCIGDZYGXGXMMQ-UHFFFAOYSA-N 440.306 5.072 0 40 IKAB O=C(CSc1nncs1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 12791263 ROAISPXZPQMNLQ-UHFFFAOYSA-N 434.030 5.281 0 40 IKAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13057978 SFQXBSKKJIJKTA-QGZVFWFLSA-N 427.375 5.720 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C[C@H](NS(=O)(=O)c1ccccc1)c1ccccc1 13133834 GEBKAFQGNQYEQF-QFIPXVFZSA-N 449.403 5.145 0 40 IKAB O=C1c2ccccc2C(=O)N1COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 13303644 NNFPOPWHZAJSKX-UHFFFAOYSA-N 425.482 5.586 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 13681619 KEPPYEGQAUHXHY-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)c(C)c1 13749846 WKAHDGAKYWNPNN-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1 14154029 PHAFXIFAKLLEIV-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1nc(COc2ccccc2C(=O)Oc2ccc3cc(Br)ccc3c2)no1 14771396 SYYPYPKAOJCZSA-UHFFFAOYSA-N 439.265 5.092 0 40 IKAB COc1ccccc1SCC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 15277416 OUFCCDJQPFWHCE-UHFFFAOYSA-N 447.503 6.636 0 40 IKAB CCN(CC)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16768302 PWWASVMTOMRWPO-UHFFFAOYSA-N 433.987 5.803 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(O)cc(-c4ccccc4)n3)c(C)o2)cc1OC 16841315 GIFYBWWQQUTKNS-UHFFFAOYSA-N 449.532 5.512 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)N(CCc1c[nH]c2ccc(F)cc12)Cc1cccs1 16957287 NRPGHDXYVWHQAY-UHFFFAOYSA-N 448.972 5.456 0 40 IKAB CCc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 17095327 WAVWSJIVEODJDT-UHFFFAOYSA-N 427.356 7.085 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1Br 17101032 RZPVTQOOWRASGG-SOFGYWHQSA-N 437.120 6.668 0 40 IKAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1c(F)cccc1F 18597286 UDJUCCBOTBPTKM-JTQLQIEISA-N 438.297 5.237 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 19402657 NVEUZSABFSVOCN-SQHAQQRYSA-N 440.591 5.013 0 40 IKAB O=c1[nH]c(CN(Cc2ccco2)Cc2cccs2)nc2sc(-c3ccccc3)cc12 19534172 AUTPISGOICCUNW-UHFFFAOYSA-N 433.558 5.509 0 40 IKAB Cn1c(C(=O)NCCN2CCCCC2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894315 GROUGTZJBZASOF-UHFFFAOYSA-N 430.379 5.368 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 19928668 NBHYKLRQVIXZPB-UHFFFAOYSA-N 443.739 5.892 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139934 BZFQHUAMDPLIKM-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 21372866 LEGDHKAKGBJVJB-KRWDZBQOSA-N 439.544 5.483 0 40 IKAB Cc1ccc(-c2noc(-c3ccc(NC(=O)c4cc(-c5cccs5)on4)cc3)n2)s1 32594153 LNJRIJUKMDGWGN-UHFFFAOYSA-N 434.502 5.742 0 40 IKAB CCn1c(CNC(=O)c2ccc(Cl)cc2Cl)nnc1SCc1ccc(C)cc1 33392155 CBZGQSDSIPBFJD-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371935 UBZMQZYNZYTSBT-QNACBFRYSA-N 446.672 7.039 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36615809 FUAIZIKHIDNOML-QFIPXVFZSA-N 426.495 5.244 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(C2CC2)nc2c1cnn2-c1ccccc1F 36615810 FUAIZIKHIDNOML-JOCHJYFZSA-N 426.495 5.244 0 40 IKAB CC1(C)COc2c(-c3ccccc3)nc3sc4c(N5CCCCC5)ncnc4c3c2C1 39321628 CASJXDMAJPMWCW-UHFFFAOYSA-N 430.577 5.858 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2ccc(Br)cc2)cc1 40485973 RKOPATAWJSSRJR-FQEVSTJZSA-N 440.293 5.104 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)cc1 44087217 XCVJDOSMOFTYSH-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44852883 GCPYLSBXLKFUIP-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB CCCn1cc(-c2nc(-c3ccc(Br)cc3)no2)c(=O)c2cc(F)ccc21 49001966 RMPJYRGHJFPRLI-UHFFFAOYSA-N 428.261 5.030 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Br 57317008 RVAABGHBFJUAEY-UHFFFAOYSA-N 435.115 5.402 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1 65609307 ANBJPRWVMKRUSD-UHFFFAOYSA-N 438.531 5.445 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5cccc(Cl)c5)c(=O)c4c3C)n2)c1 67260298 MVENCDCONUDGSE-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB Cc1c(-c2ccccc2)sc2ncn(C[C@@H](O)c3ccc(C(F)(F)F)cc3)c(=O)c12 71949394 RFLCZNPSGKVWFK-QGZVFWFLSA-N 430.451 5.186 0 40 IKAB Cc1ccccc1OCCn1c(C)c(C(=O)OC(C)(C)C)c2cc(O)c3ccccc3c21 72411028 ZIERCSTUVMDJHC-UHFFFAOYSA-N 431.532 6.151 0 40 IKAB COC(=O)C[C@@H](c1ccccc1)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc12 85876236 GANPZDPJBQGNNC-NRFANRHFSA-N 444.483 5.172 0 40 IKAB biogenic Clc1ccccc1/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccccc12 101379484 CCMCHDSNTHJOQE-AZPGRJICSA-N 429.976 6.826 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102518718 PAASGCQYBMQREW-QXVOXHNYSA-N 437.495 5.108 0 40 IKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 102728691 IYGHJVDWDNIWHR-QMHKHESXSA-N 432.476 5.314 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936198 ZUXCJTMUJNGXDG-QWSDYRRXSA-N 430.629 5.942 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222752772 FIYXKYKQLKDYTO-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223358757 COQQEERTPZUMMC-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223387617 GVARWWPXIDHDKZ-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1cccc(OCc2ccccc2Cl)c1 223559577 QRAZNHUJHGMYMU-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224294698 PEMQDHFRHOXXBI-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1CSc1ccccc1 224651680 QJKGAMHQDAEKCJ-UHFFFAOYSA-N 442.378 6.392 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Br)c3)o2)cc1 224908498 QVXAJCAEMWZHRJ-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1Cl 224950106 KLCXBSQKHGOCRO-SFTDATJTSA-N 426.973 5.303 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 225000412 JXJADZYKLOMQIA-HXUWFJFHSA-N 441.015 5.181 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225075303 NHJVRUVGARWBEL-YADHBBJMSA-N 436.640 5.557 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(OC2CCCC2)cc1 225688218 KNQSNZNWCNYAOE-NRFANRHFSA-N 426.582 5.605 0 40 IKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCC)cc1C(=O)OCC 225823491 DOHRVHXFDWJYBC-UHFFFAOYSA-N 435.605 5.848 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@@H](c1cccnc1)C1CCOCC1 245180711 ZHLOYAOXXLAFJO-AREMUKBSSA-N 434.511 5.230 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@@H]2c2ccnc(-c3ccccc3)n2)cn1 257279136 OFDKJCXYSLPJAT-HSZRJFAPSA-N 437.503 5.012 0 40 IKAB Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccncc5)o4)CC3)coc2c1C 257292430 QLKWGCCHSQFDNV-WGSAOQKQSA-N 444.535 5.127 0 40 IKAB CC(C)C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257309283 UAIDRXCSOJBEGE-VGSGFSFPSA-N 428.956 6.485 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1 408604059 CZJWYBZLFHKEIY-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)cc1 408696459 ACQYNKZAMIGHNM-UHFFFAOYSA-N 434.499 5.739 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(Cl)c2C)c1 408700130 YZNDFPWPYLMMHK-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc3ccccc3c2)cc1 408726730 TUYXZGKSAJFTMX-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB COc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)c(OC)c1 408826311 BWKJCZIOCDHRDV-UHFFFAOYSA-N 444.556 5.906 0 40 IKAB COc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 408971363 IWTRUIXODYFVDB-UHFFFAOYSA-N 441.742 5.146 0 40 IKAB O=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc(Cl)c1 408973869 CEGCVRZIPVGCTK-UHFFFAOYSA-N 436.898 6.836 0 40 IKAB Clc1ccc(-c2nnc(SCCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409095368 HGNPSUOSOOYAAV-UHFFFAOYSA-N 426.372 6.576 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(Cl)cc1 409110845 AMAQFQQLVVRTES-UHFFFAOYSA-N 445.946 7.332 0 40 IKAB Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)c1 409265479 SUUKXPKWQWIPTG-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB FC(F)(F)c1nc(-c2cc(C3CCN(c4ccnc5ccccc45)CC3)ccn2)no1 585266752 GSIPKPDRKBLTAS-UHFFFAOYSA-N 425.414 5.083 0 40 IKAB Cc1ccc(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)cc1 643583171 UNTMSLWEEPRDLE-UHFFFAOYSA-N 429.560 5.849 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 641100 CLFXUIDIHSHQFP-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccc(OCC)cc2)C(C)=C(C(=O)OCC)C1c1ccccc1 659543 GQWDUPBOPGODTR-UHFFFAOYSA-N 449.547 5.363 0 40 IKAB CCOC(=O)c1ccc(Nc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)cc1 856338 GRSMCIKYTKIFEF-UHFFFAOYSA-N 426.881 5.490 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)c1 876609 OAVRJZFCMGTEHO-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C 898824 IETAVFIVVRCJLR-KBMIEXCESA-N 430.523 5.995 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Br)cc1)CCC2)c1ccco1 970537 RMQLAHBBJLFMCO-UHFFFAOYSA-N 431.311 5.097 0 40 IKAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc23)cc1 1770429 GIBBXWFPWOQGCB-UHFFFAOYSA-N 426.900 5.684 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O 2211442 SFTGMTHFBBDPDP-RUZDIDTESA-N 447.575 5.894 0 40 IKAB Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3ccc(Cl)cc3)cc2)cc1 2374594 QLDMDQRQYLFQTP-UHFFFAOYSA-N 448.313 6.658 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Br)cc3)on2)sc(C)c1C 2465549 YIBMSRVLUASJEX-UHFFFAOYSA-N 449.326 5.211 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3033253 MZJVMWYVMQGALA-UHFFFAOYSA-N 440.572 6.060 0 40 IKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)c1ccccc1Cc1ccccc1 3286143 MOYZWCCTBORNSN-UHFFFAOYSA-N 426.513 6.454 0 40 IKAB Cc1ccc(N(CCC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 3327200 ANCLOJCRRVHFDX-UHFFFAOYSA-N 436.577 5.144 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 4193592 HUQRNDUHICMJEI-WOYJLCBPSA-N 430.529 5.220 0 40 IKAB O=C(c1ccc2ccccc2c1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 8704854 PWGUHHJNQDYLFE-UHFFFAOYSA-N 448.320 5.457 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1C 8752821 GWWIHNMEMAZSKI-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 8922062 FRHLCAYCXZYLFD-MHZLTWQESA-N 447.962 5.779 0 40 IKAB CCCCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@H](CC)N(C)C 8941622 YJNCJRKSTOJOBB-IBGZPJMESA-N 445.658 5.515 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 9057090 CZJBUCIKDNAVHI-UHFFFAOYSA-N 443.355 6.674 0 40 IKAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nc(O)cc(-c2ccccc2)n1 9085856 ZQQBWXNFGPEBLJ-KRWDZBQOSA-N 433.577 5.569 0 40 IKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1cccc2ccccc12 9086109 PXDUQNKWVKYHPY-UHFFFAOYSA-N 441.556 6.509 0 40 IKAB COCc1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1-c1ccc(OC)cc1 9261098 FHBZZPAEDUOTIQ-UHFFFAOYSA-N 431.389 5.376 0 40 IKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(Br)cc1 9296358 DUPXAFCMZDZFMF-XDHOZWIPSA-N 436.305 5.529 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(=O)c4c(C)[nH]c5ccccc45)cc3)sc2c1 9414742 DKNOPEQTAZXGAK-UHFFFAOYSA-N 425.513 5.883 0 40 IKAB COc1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2C2CCCCC2)c1 9509410 PSQMDOKWUIOTFJ-MRXNPFEDSA-N 437.565 5.030 0 40 IKAB CCCS(=O)(=O)c1c(Nc2cc(C)ccc2C)sc(C(=O)c2ccccc2)c1N 9824796 NEICFBIOLDKWGF-UHFFFAOYSA-N 428.579 5.105 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccc(CSc2ncn[nH]2)cc1 12568933 RIENEPVSLIXINS-NRFANRHFSA-N 434.952 5.270 0 40 IKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 12661191 YPTAKMHFGJOKPI-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(CN(C)C6(CCN(C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 12661413 YKZPJVAZIXEHHB-ICQXFURSSA-N 442.688 5.087 0 40 IKAB biogenic Cc1ccc(-c2nc(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cs2)cc1 12685589 VZSLGRYPCPAIBX-UHFFFAOYSA-N 443.576 5.285 0 40 IKAB CCOc1ccc(CN(C)C(=O)c2ccc(SCc3csc(C)n3)cc2)cc1OC 12820874 FFGFMHTYTIRZKX-UHFFFAOYSA-N 442.606 5.423 0 40 IKAB O=C(CSCc1csc(-c2ccco2)n1)Nc1ccc(Cl)cc1C(F)(F)F 13012187 TVGNUTZILNFQDU-UHFFFAOYSA-N 432.876 5.947 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccccc3OC)nc2c1 13017699 INWJAOWQFLIKBG-UHFFFAOYSA-N 430.529 5.650 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)OCCOc2ccc(Cl)cc2Cl)cc1 13068280 AIDSDYAOGKQVDH-UHFFFAOYSA-N 436.291 5.413 0 40 IKAB Cc1ccc(O)c(C(=O)c2cc(-c3nnc(-c4ccc(Cl)cc4)o3)n(C3CCCC3)c2)c1 13097519 WANOCXCHXKONCF-UHFFFAOYSA-N 447.922 6.219 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cn3c2NCc2ccc3c(c2)OCO3)cc1OC 13502013 JNPQVWOCXWSUSN-UHFFFAOYSA-N 437.883 5.013 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1cccc(C)c1 13899522 HUCVOIHLCXYNBV-HMAPJEAMSA-N 431.463 5.456 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccccc1OCc1ccccc1 14035484 BHTOBJYASSBJHY-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 15517148 QYHYPCXYCGLSCY-ALOPSCKCSA-N 427.639 5.314 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)Nc3ccccc3)no2)cc1 15673704 IZZLBQQYJMBRHV-SFTDATJTSA-N 431.580 5.436 0 40 IKAB biogenic,in-vitro COc1cc(OC)c(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1Cl 15948987 UAHMATTVQWMAMY-UHFFFAOYSA-N 427.953 5.819 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCCc1ccccc1 16750290 SWGQHTGXEVCRIL-UHFFFAOYSA-N 448.887 5.465 0 40 IKAB CCOc1ccccc1CN(C(=O)Nc1cccc(Cl)c1)c1nnc2n1CCCCC2 16769819 QXGIRZJOIIIKRJ-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1cccc2ccccc12 17094804 RAAUXTBNKDGLKZ-UHFFFAOYSA-N 426.451 5.039 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 19688547 CWTNKKLJVJKUCF-QFIPXVFZSA-N 443.469 5.202 0 40 IKAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 19890737 YTQDVJBQFPFPJM-SJORKVTESA-N 426.563 5.418 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 20412381 AVWBQOPISAYIDQ-UHFFFAOYSA-N 447.299 5.902 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1C 20488886 SDAYELYMFBMXSQ-FQEVSTJZSA-N 445.300 5.549 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3C)nc2c1 20807953 BQRCHABCNXYGFD-FYWRMAATSA-N 448.522 7.332 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Cl)c2)cc1 20970273 WYHMNIQHHCQBGF-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256994 IYASNQVSQILIOQ-INIZCTEOSA-N 447.988 5.503 0 40 IKAB CCOc1cc(CNCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 23471937 OPDDWBKGQXFRNL-UHFFFAOYSA-N 431.791 5.276 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2Cl)c2ccccc2)c1C 26770806 TZZCWGGTTDNXFJ-XMMPIXPASA-N 447.003 7.472 0 40 IKAB CCOc1ccc(C(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(C(C)C)cc2)cc1 27985978 BPJSDHVUFAGGBN-UHFFFAOYSA-N 441.527 6.367 0 40 IKAB Cc1[nH]c2c(C)cc(Cl)cc2c1CCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 28573161 KSDDTBVOUPODLI-UHFFFAOYSA-N 428.319 5.719 0 40 IKAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1Nc1ccccc1 32124882 GCAHRHRHEGDTIR-UHFFFAOYSA-N 439.309 5.297 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)cc1 33000478 DYKAXYLMFHXSTO-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB Fc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1 33022055 ISIPWLAMVLGCIE-UHFFFAOYSA-N 432.402 5.644 0 40 IKAB CCCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026823 CFMMFSKUNJBTIA-UHFFFAOYSA-N 441.466 5.419 0 40 IKAB COC(=O)c1ccccc1-c1ccc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)o1 33469882 KTHWYJANTUJQNR-PFONDFGASA-N 433.485 5.748 0 40 IKAB CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 39427773 VRNDADJNKBAIBM-XMMPIXPASA-N 445.567 5.473 0 40 IKAB FC(F)(F)Oc1ccc(-n2c(-c3ccccc3)cnc2SCc2ccccc2)cc1 44087935 OLLRWRRMGQOAIF-UHFFFAOYSA-N 426.463 6.730 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 44884572 VMHLSSXTESAJIZ-NRFANRHFSA-N 444.383 6.734 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 49651005 WXCXFWAZJSWENY-DEOSSOPVSA-N 431.561 5.507 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccsc2c1=O 57426436 IJTLGAWZDCCQEZ-UHFFFAOYSA-N 442.393 5.296 0 40 IKAB O=C1c2c(c(-c3ccccc3)nn2-c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(O)cc1 66088131 QCYZLWNAALIPKB-HHHXNRCGSA-N 443.506 5.995 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5cccc(C)c5)n4ccn3n2)cc1 67260668 RZAHBURFBGIASB-UHFFFAOYSA-N 443.576 5.824 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCC1 72215740 VJRVMTWRLBSGHB-FQEVSTJZSA-N 445.604 6.228 0 40 IKAB CC(C)Oc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 72330420 PFRUPJQXTWCCGR-OFVILXPXSA-N 449.620 5.314 0 40 IKAB Fc1cc(Br)ccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 73638239 OZQWZBFKZDFXFT-UHFFFAOYSA-N 447.101 6.826 0 40 IKAB CC(C)(C)OC(=O)N1CCC(N(C(=O)CSc2ccccc2)c2ccccc2F)CC1 78875487 REKHJLBQKWBSNJ-UHFFFAOYSA-N 444.572 5.351 0 40 IKAB CCc1cccc2c(C(=O)COC(=O)C34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)c[nH]c12 102249927 ABWMSIFNDBAJLC-KKQCZIFWSA-N 444.369 5.190 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(C)c2C)cc1 113938057 UDGWARUPEVGHNA-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 118916305 AHQGBTJUQBJWCN-ARZCWHKOSA-N 436.592 6.107 0 40 IKAB CNS[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118928397 HTHNWQMPMKADST-QWDJEJJDSA-N 431.774 8.264 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cccc1OC 214423799 IHASTSMSCQOHCL-RQZCQDPDSA-N 438.332 5.637 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 214713598 XMXLZHWTCBBIPB-GIDUJCDVSA-N 433.143 6.537 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 220735744 YZSFCIKMXVYQPT-OAQYLSRUSA-N 437.005 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 222488051 CJKZXJUNTPAXHQ-FDDCHVKYSA-N 445.003 5.003 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 222941774 WLGIQIQHDTVQFI-HXUWFJFHSA-N 441.959 5.504 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)c(C)c1 223969520 CPUUXDPBPSWWJD-HSZRJFAPSA-N 440.540 5.124 0 40 IKAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1C 224035621 OMGARHNSNRHIPN-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 224094968 RRBJVJDDTIGDRC-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540404 OXVLMTQGKISETE-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 224582778 SKOAXMDUPBVQGW-RUZDIDTESA-N 446.591 5.107 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)o2)c(OC)c1 224934428 HUWJVHDLBIUSDU-UHFFFAOYSA-N 444.443 5.007 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225067801 NFTMOTOQOQNPOB-XMMPIXPASA-N 438.637 5.343 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225263916 WHOONSNLYOAAJU-MHZLTWQESA-N 442.603 5.176 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)CCCC4)c2)cc1 225630435 PWUSUEFRMKGVEQ-UHFFFAOYSA-N 426.560 6.368 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225717313 ADRXJSMFIZNPMD-VGOFRKELSA-N 449.422 5.566 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(Cc3ccc(Cl)cc3)cn2)cc1 257321548 WCCXWTPLUXLGOX-VWLOTQADSA-N 448.994 5.976 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(Cl)c1 408689854 ZFYAHJJRBUILQI-UHFFFAOYSA-N 435.738 5.726 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2)nc1-c1ccc(Br)cc1 408699179 RWJJWCVVHZMMPX-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl 408907178 MAJXCDGYPJZLMA-ZZXKWVIFSA-N 435.203 6.363 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@H]1c1ccccc1OCC 408985783 AWTCQXWBUVOIJG-QHCPKHFHSA-N 434.561 5.689 0 40 IKAB Cc1c(F)cccc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 409004670 XZCFYBJICISQTL-DEOSSOPVSA-N 445.494 5.092 0 40 IKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2cccc3ccccc23)c1 409115607 MZJJCSPVBHPWMX-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409178753 HYEYMLHQFXWDLR-ZYAQVELZSA-N 442.990 7.197 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 409245674 XKPJGCSMGGWCPD-DEDYPNTBSA-N 447.940 5.000 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409265686 NUEZXSFNLITRQR-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 409353168 HPWFVSDMYFIWOE-CAOOACKPSA-N 435.332 5.285 0 40 IKAB CCCc1cc(C(=O)N2CCCCCCCCN(C(=O)C3CC3)c3ccccc3C2)no1 643557693 UKFNBPHGBRCXQU-UHFFFAOYSA-N 437.584 5.367 0 40 IKAB CC(C)N1CCOc2ccccc2CCCCC2(CCN(CC3CCCCC3)CC2)C1=O 643589431 SIAFWNWVUSWMEJ-UHFFFAOYSA-N 440.672 5.691 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(COc3cc(Cl)ccc3Cl)cc2)cc1 659124 FWMKIRNRWPKOLD-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 884812 UVLBPZHXUWEISB-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 1077550 VQRPKQTUGGYQBP-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(Nc4cccc5ccccc45)s3)c(=O)oc2c1 2063630 XTUFCBCXBCEJCR-UHFFFAOYSA-N 442.544 6.055 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCCC2 2085934 XROMYIWJNPLUOV-UHFFFAOYSA-N 433.982 6.314 0 40 IKAB CC(=O)OC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]32)C1 2090449 YXUGUUGNHVVXAI-SJHFCQTLSA-N 428.701 8.165 0 40 IKAB biogenic COc1ccccc1Cn1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 2245929 LRCIKBZWUOUNDG-UHFFFAOYSA-N 445.320 5.466 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc(Cl)cc1 2279193 XHQXHQQHGPGENJ-UHFFFAOYSA-N 425.315 5.839 0 40 IKAB CSc1ccc(/C=C(/NC(=O)c2ccc(C)cc2)C(=O)Nc2cccc(Cl)c2)cc1 2281137 JEZAICDEGDTYOG-HYARGMPZSA-N 436.964 5.780 0 40 IKAB Cc1cc(Cl)cc(C)c1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2289492 CESPWAALXDPXGE-UHFFFAOYSA-N 439.342 6.066 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2378138 RJIZKIVEFVWZOO-HNNXBMFYSA-N 446.400 6.281 0 40 IKAB O=c1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cn1Cc1ccccc1 3052077 CGCDKVZUKSWGTP-UHFFFAOYSA-N 444.343 5.546 0 40 IKAB S=C(NNC(=S)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 3257355 FBKAUKILGNTSCG-UHFFFAOYSA-N 440.208 5.488 0 40 IKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 6101563 IYNCMIGROZPHKV-SFHVURJKSA-N 446.576 5.996 0 40 IKAB COc1ccccc1[C@@H](Nc1ccccn1)c1c(NC(=O)c2ccco2)sc(C)c1C 8385089 QJBGJXQXWFQXPM-JOCHJYFZSA-N 433.533 5.815 0 40 IKAB O=C1S/C(=C\c2c(Cl)cccc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl 8385831 SZGRENDSDMIECH-CHHVJCJISA-N 448.158 6.406 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CCCCC2 8445631 JIFWUKDCMDRKAE-GOSISDBHSA-N 432.589 6.069 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 8497915 XGKPLMKCZZGUPV-QDBPJBAASA-N 435.910 5.587 0 40 IKAB COCc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 8726820 HKNMUAGHZKSEJH-UHFFFAOYSA-N 428.410 5.356 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8740562 BAZPTYJTVHVOCZ-GOSISDBHSA-N 437.414 7.742 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccc(F)cc1 8759610 CWDFKMJUZMJNBO-QGZVFWFLSA-N 449.913 5.428 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)ccc3o2)c(C)c1 8831164 LPHSSVBUYVGGCG-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1ccc(N2CCN(S(=O)(=O)c3ccc(C4CCCCC4)cc3)CC2)cc1Cl 8857584 WIDHMIPBRTUIMR-UHFFFAOYSA-N 433.017 5.207 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063389 ZRBGEXYRRJTPMG-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C1=N[C@@H](C)CS1)c1ccc(Cl)cc1 9125583 AAIFWFFSBJJYMC-HNNXBMFYSA-N 438.984 5.340 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)s2)cc1 9256051 UXLBZUQWVOWDAO-QGZVFWFLSA-N 449.601 5.757 0 40 IKAB Cc1nc2[nH]c(SCC(=O)Nc3cc(Cl)cc(Cl)c3)nc2cc1Br 9308569 JPOARISBKPOOSN-UHFFFAOYSA-N 446.157 5.066 0 40 IKAB Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 9309112 AXBXQNQSVBULRZ-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB O=C(NCCn1cc(SCc2c(F)cccc2Cl)c2ccccc21)c1ccccc1 9391812 HUUGUWJMFMCKNU-UHFFFAOYSA-N 438.955 6.156 0 40 IKAB CCCCCOc1cccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)c1 9409262 OQNZMBUWYSZQCM-VWLOTQADSA-N 433.552 5.697 0 40 IKAB C[C@@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2ccnc2)cc1 9465397 TWCSTSLILOXFDH-OAQYLSRUSA-N 434.547 5.030 0 40 IKAB CC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2C1 9477695 SFSBSGUSHSMQDM-LBPRGKRZSA-N 448.419 6.589 0 40 IKAB O=S(=O)(/C(=C/c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 9581143 GZHDWKZAOLGZMA-XSFVSMFZSA-N 439.334 5.297 0 40 IKAB O=C(COc1ccccc1)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 9727546 IHWJRQIJXRMFIZ-UHFFFAOYSA-N 429.501 5.080 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N[C@@H](C)c1ccc(F)cc1 9782886 INHFTHPTMODTNQ-IRXDYDNUSA-N 431.536 5.794 0 40 IKAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(C)c(C)ccc3s2)c1OC 10187707 WBFRQOFTANGVKG-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 10336874 UMRWNIBYZVSXRV-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 12195706 OPMFUKIIEZRFFM-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB Cc1sc2nc(CN3CCCCC3)nc(N[C@@H](c3ccccc3)c3nccn3C)c2c1C 12628225 CDDVTHZYIOSZOS-QFIPXVFZSA-N 446.624 5.229 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCO4)cs2)cc1OC 12754647 ICGWYMOWJXYMEU-UHFFFAOYSA-N 430.913 5.058 0 40 IKAB Cc1c(NC(=O)c2ccccc2OC(F)F)cccc1C(=O)N1CCc2sccc2C1 12998961 CJMFXPACZYVGMA-UHFFFAOYSA-N 442.487 5.109 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccc(F)cc1F 13140998 CJABMNZZIWURKR-UHFFFAOYSA-N 437.880 5.614 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F 13498378 VMCALJYEPFWUHC-DEOSSOPVSA-N 436.552 5.263 0 40 IKAB COCCN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 13510041 MHEJVTAPUKDRBS-UHFFFAOYSA-N 429.973 5.449 0 40 IKAB COc1ccc(-c2c/c(=N\c3ccc4c(c3)OCO4)c3cc(OC(C)C)ccc3o2)cc1 13609690 SLMVLVXQDDNGMB-HPNDGRJYSA-N 429.472 5.857 0 40 IKAB O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 13804183 IXXVOBDQVAYGAH-VWLOTQADSA-N 437.543 5.112 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1 13842440 QRRHOFCDNZPOAA-UHFFFAOYSA-N 438.597 5.372 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 13925440 ZYRICNOXQSJRLW-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)C[C@H](C)CC5)cc3)nc12 14847110 WTLBUTLIAPGEHC-OAHLLOKOSA-N 432.549 5.055 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1OCC 15966497 WLFWXAIWNZODBG-LBPRGKRZSA-N 426.738 5.391 0 40 IKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ncc(Cl)c(Cl)c1Cl 16015093 XHYJUEUQAGNEHO-UHFFFAOYSA-N 441.767 5.955 0 40 IKAB Cc1ccnc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17097822 DGFBQQBRXCRVGW-QPJJXVBHSA-N 432.332 5.483 0 40 IKAB OC(c1ccccc1)(c1ccccc1)C1CCN(C(=S)Nc2ccccc2Cl)CC1 17101013 LDYJDNUNLNPXEQ-UHFFFAOYSA-N 437.008 5.685 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1Cl 17101076 NPMDNKPQYMAJRC-UHFFFAOYSA-N 437.270 5.538 0 40 IKAB CCCCc1c(Cc2[nH]c(/C=C3/C=CC=N3)c(C)c2CCCC)[nH]c(/C=C2/C=CC=N2)c1C 17147350 WADRYXOXEFSQIG-JUKYZOBSSA-N 440.635 7.199 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 17169917 VUGJNOPZNLBKLD-UHFFFAOYSA-N 426.925 5.012 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 18094198 BDAAXGLGLLDSPE-OAQYLSRUSA-N 444.575 6.383 0 40 IKAB CCC(C)(C)c1ccc(OCCCCNc2nccc3c2nnn3C)c(C(C)(C)CC)c1 19142967 OOFFFQJVLFKYSG-UHFFFAOYSA-N 437.632 6.010 0 40 IKAB Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12 19742438 BQTGMLDEOKJJMJ-XMMPIXPASA-N 440.526 5.092 0 40 IKAB CCN(C(=O)Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3)c1ccccc1 19996662 DNGLQHZZELKRBX-UHFFFAOYSA-N 443.572 5.057 0 40 IKAB Cc1ccc(CN2COc3c(Cl)cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 20390279 KLALAEBYRUEWNC-UHFFFAOYSA-N 445.946 6.006 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20459430 MFYMRANJYXBBFY-AREMUKBSSA-N 438.527 5.566 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(SCc2ccccc2F)ncc1Br 28292873 FGFDDMDSECOCAR-UHFFFAOYSA-N 436.281 5.062 0 40 IKAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(CSc2nc3ccccc3[nH]2)cc1 29327981 HVCWFQKQMHJPTQ-UHFFFAOYSA-N 427.533 5.004 0 40 IKAB C/C=C(/C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 31164252 XEQDVQKKHOQZEP-WAYWQWQTSA-N 429.683 6.423 0 40 IKAB biogenic,in-vitro CN1C(=O)[C@@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)c2cc(Cl)ccc21 32071296 BEXDJSHUOHJMLD-QFIPXVFZSA-N 438.892 5.021 0 40 IKAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 32127971 QHFXLVGNLDFZPZ-UHFFFAOYSA-N 439.924 5.299 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCSc4ccc(Cl)cc43)cs2)cc1OC 32801981 LYGQOOBJBHUGHQ-UHFFFAOYSA-N 432.954 5.233 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)/C=C/c1ccc2ccccc2n1 32900599 DUIZEWMJALYXOZ-CECJQHFESA-N 435.527 5.720 0 40 IKAB Cc1ccc(NC(=O)CCc2nc(CSc3nc(-c4ccccc4)cs3)no2)cc1 33087410 UBVMEDRUEQKHHD-UHFFFAOYSA-N 436.562 5.365 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccccc1Cl 33388997 OKQRQCXRVDDKDT-CYBMUJFWSA-N 435.380 5.388 0 40 IKAB CCN(CC)CCCn1c(S)nnc1-c1ccc(COc2ccc(Cl)cc2C)o1 33803633 MPKCPSMXVQUWLF-UHFFFAOYSA-N 434.993 5.100 0 40 IKAB CCN1CCC[C@@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 34719601 SUMBPUAQPZQJBA-XLIONFOSSA-N 439.909 5.113 0 40 IKAB Cc1cccc(-c2nc(CSc3nccn4nc(-c5ccccc5C)cc34)c(C)o2)c1 38651822 JJSFYWDUOXQGKY-UHFFFAOYSA-N 426.545 6.269 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087171 WRXWDCTWHMYFHR-UHFFFAOYSA-N 435.318 5.096 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1nccs1 44087485 YJEPLERBXHDFEP-UHFFFAOYSA-N 426.954 5.380 0 40 IKAB COC(=O)c1ccc(/C=C(/Cl)c2nc(O)c3c(-c4ccccc4)c(C)sc3n2)cc1 48302444 PYXGDTLYAJWGMH-SFQUDFHCSA-N 436.920 5.896 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1 57317018 ZSCRAPKBERCBFF-UHFFFAOYSA-N 446.344 6.157 0 40 IKAB COc1ccc(-c2nnc(SCc3c(C)[nH]c4ccccc34)n2-c2ccccc2)cc1 59417503 CKUWIXOAUULECA-UHFFFAOYSA-N 426.545 6.025 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)c(C(F)(F)F)c1 89432560 PGJKHHOIKQWUHM-UHFFFAOYSA-N 426.485 6.071 0 40 IKAB Cc1cc(Br)c(Cl)cc1N1C(=O)[C@H]2CC[C@H](c3ccccc3)C[C@@H]2C1=O 100394392 VXXMOYSZEUWRGL-JYJNAYRXSA-N 432.745 5.484 0 40 IKAB CC1=C[C@H](C)[C@@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@@H]2C 101815187 OLBNGLBVDWDALE-CQOSLTOGSA-N 441.568 5.380 0 40 IKAB Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)c(Cl)c1 106972292 MTHYVCFVVWLHIK-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C 222661806 RXCDRNCCRKPRCY-MAODMQOUSA-N 446.016 5.900 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222954028 ANUZZIGHGDWMEO-RTWAWAEBSA-N 433.606 5.255 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223922488 HGHSNECGKBZDLP-UHFFFAOYSA-N 428.513 5.407 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223927624 GTERWIXDYSWCQW-UHFFFAOYSA-N 436.533 5.061 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223944723 AYPGJTSCXKCVOU-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224357509 JIXIAITVHOHREE-DQEYMECFSA-N 439.588 5.568 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C 224422327 VSAKIDKPOCWRLQ-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224554700 VMCWDUJMCRGUAP-GOSISDBHSA-N 446.528 5.047 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1OC 224577088 OXGFISOOYGOSHA-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1CSc1ccc(Cl)cc1 224672024 HBRGJWQZRGEOCW-UHFFFAOYSA-N 425.981 6.846 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 224909056 FTNNMPUIXADCGZ-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225165417 QFIUHKJYXSPCDV-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225188099 ARURCCKJTRKARL-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225369264 GUXVFZFARRMASS-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 225373553 OUPCMDPTWDFYSQ-SNFPTOCBSA-N 446.547 5.234 0 40 IKAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225786439 SYTRRWGQGDCYTJ-SFHVURJKSA-N 438.618 5.741 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C 225790168 FWRCKXSNVRLDQD-HXUWFJFHSA-N 436.646 6.350 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225911761 OQPZPTOEOASAEK-GFCCVEGCSA-N 432.178 6.151 0 40 IKAB S=C(NCc1ccccc1)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1 225928866 LYBSWHAQUSEATG-UHFFFAOYSA-N 428.517 5.548 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 253497747 AHQGBTJUQBJWCN-VZGUYQAJSA-N 436.592 6.107 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1cccc(Cl)c1 408551453 KUYNDZOZDLCMFT-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCC2)cc1Br 408578198 WQQXKEKMSMHQRE-UHFFFAOYSA-N 428.754 5.592 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408637775 ABCFCZOWQPZZEU-HXUWFJFHSA-N 444.531 5.486 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 408647102 SDBYKXOLXABIDJ-UHFFFAOYSA-N 430.715 5.296 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(Cl)c2)cc1 408699095 UOENTJRGLURSPM-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408817026 MPANQZYQYDCJOY-HAHDFKILSA-N 431.513 5.824 0 40 IKAB Cc1ccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1C 408975334 AJVBNKXUYBDSRG-UHFFFAOYSA-N 441.581 6.956 0 40 IKAB CCCc1sc2nc(SCCCc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409115258 IAVBGUYRQWENNE-UHFFFAOYSA-N 434.630 6.433 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccc(C)cc1 409174214 MDJMGQOLTAXBGB-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB Cc1ccc(C)c(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409176826 YVIZCFLLIWYMTA-SANMLTNESA-N 449.934 5.843 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409181695 FBAYFEJGXLQISN-UOKUJXLTSA-N 436.599 7.106 0 40 IKAB O=C1/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c2ccccc2N1c1ccccc1 409196760 XJPVQSMVERADFX-HMMYKYKNSA-N 432.306 7.472 0 40 IKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)c1 409205406 CDQFXUSJDIZQKH-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409365298 YYSAUNIMHRDDOU-WBRURWICSA-N 438.549 5.156 0 40 IKAB C[C@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 622657384 GZLJXNWGMWQRJX-LBPRGKRZSA-N 428.439 5.263 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)O2 1848355677 DODPLDWICWJSCV-MHZLTWQESA-N 441.531 5.452 0 40 IKAB Cc1ccc(Oc2cc(-n3ncc(Cl)c(Cl)c3=O)nc(-c3ccccc3)n2)cc1 632503 WOVRDFVRSMTQJF-UHFFFAOYSA-N 425.275 5.097 0 40 IKAB CC(C)(C)C(=O)Nc1ccc(C(OC(=O)c2ccccc2)(C(F)(F)F)C(F)(F)F)cc1 723959 SEXSCRBVTVXWIN-UHFFFAOYSA-N 447.375 5.848 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902285 QTHCZCUFNNAOJX-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 1366278 JBOHWGQWQWIJSE-MRXNPFEDSA-N 445.588 5.377 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(Cl)cc4C)c23)cc1 2220441 YAHRUHWPJGHWDM-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB O=C(CSc1ccccn1)Nc1ccc(SCc2ccc(Cl)cc2Cl)cc1 2582790 IZWJGRQRJZACEN-UHFFFAOYSA-N 435.401 6.412 0 40 IKAB COc1ccc(-n2c(S[C@H](C(C)=O)c3ccccc3)nnc2-c2cccc(C)c2)cc1 2650906 UOJGYTAKSUBARK-HSZRJFAPSA-N 429.545 5.674 0 40 IKAB Cc1ccc(-c2nc(NC(=O)[C@@H]3COc4ccccc4O3)sc2-c2ccc(C)cc2)cc1 2654421 OFYRWVUBAKHCOL-QFIPXVFZSA-N 442.540 5.872 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn(Cc2cccc(C(F)(F)F)c2)c1-c1ccc(F)cc1 2733440 LCDOYPVLYUGYRP-UHFFFAOYSA-N 428.404 6.871 0 40 IKAB O=C(NCCC1=CCCCC1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2741485 ILVDLXVFHNZPLU-UHFFFAOYSA-N 425.359 6.829 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012745 JAGVVJLHFILJON-RTBURBONSA-N 430.430 5.113 0 40 IKAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1CCc1ccc(Cl)cc1 3059200 GUZIGDRJEYCHGP-UHFFFAOYSA-N 426.994 5.955 0 40 IKAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1Oc1ccc(Cl)cc1 3133175 ZKNIDTREFWDJEX-UHFFFAOYSA-N 427.740 6.530 0 40 IKAB FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2cccc(C(F)(F)F)c2)c1 3146372 MYEWADJVWRYMFL-UHFFFAOYSA-N 440.307 5.538 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H]2c3cccc4cccc(c34)[C@@H]2Sc2ccc(F)cc2)cc1 3227057 RPPDJUJJHDZQBO-DQEYMECFSA-N 449.572 6.154 0 40 IKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1cccc(C(F)(F)F)c1 3276374 KUWQJXGYGBESMQ-LFIBNONCSA-N 437.464 5.551 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1ccc(Cl)cc1 3297597 MCTAYJPRIMHJFN-QHCPKHFHSA-N 447.987 7.186 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@@H](OC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 3360641 SIWJQHNCCWHAQY-SANMLTNESA-N 441.502 6.286 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCCC1 3604137 AZUNVFUXHYWTBB-UHFFFAOYSA-N 426.973 5.082 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccccc4F)C3=O)c3ccccc32)cc1 3659146 JBGGRDJGPKTHLK-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2Cl)sc2c1CCCC2 4211532 AWDFNBMFLIDSTJ-UHFFFAOYSA-N 438.980 6.347 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1 5477837 XUXZMSUIHGSGOL-GOSISDBHSA-N 429.568 5.409 0 40 IKAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c1 6161564 XIPKMPAVOPHPFV-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@@H](C)C(=O)Nc2ccccc2)cc1 6280259 WKESQNOLJQQHQA-IBGZPJMESA-N 444.560 5.274 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8759057 AUTYNXZVZCVWOP-UHFFFAOYSA-N 432.343 5.353 0 40 IKAB CC(C)c1cccc2sc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nc12 9034584 YARNXFFSRJXUOE-UHFFFAOYSA-N 429.589 5.464 0 40 IKAB Cc1ccc2nc(CSc3nnc(-c4ccc(F)cc4)c4ccccc34)cc(=O)n2c1 9284211 IGZDQCFHZBOIDN-UHFFFAOYSA-N 428.492 5.045 0 40 IKAB Cc1c(CCC(=O)NCc2ccncc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 9429191 HLDJPPFKPYOTNX-UHFFFAOYSA-N 432.520 5.098 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccnc2)c(C)c1 9507757 XNYYWKLEVJKESD-UHFFFAOYSA-N 434.952 5.575 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 9508001 QDARIFJZBNIUIQ-UHFFFAOYSA-N 433.577 5.326 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)c3c(C)cc(C)cc3C)s2)cc1 9508037 MLHNWHSKTSEARW-UHFFFAOYSA-N 430.620 5.739 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(Cc4ccccc4)o3)cs2)cc1OC 9546935 ZEOOREIWJAEUNU-UHFFFAOYSA-N 425.535 5.093 0 40 IKAB Cc1ccc(NC(=O)Nc2nc(CC(=O)Nc3cccc(C(F)(F)F)c3)cs2)cc1 9625324 QFVAUKMSCRNVMG-UHFFFAOYSA-N 434.443 5.296 0 40 IKAB Cc1cccc(-c2nnc(SCc3cn4cc(Cl)ccc4n3)n2Cc2ccco2)c1 9963771 LKSNKKKUPQPFTP-UHFFFAOYSA-N 435.940 5.488 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 10251305 WDVVYUDYSUDGGZ-GFCCVEGCSA-N 434.348 5.369 0 40 IKAB O=Cc1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccccc1Cl 11692810 GZKWEVFGSLBFTP-AATRIKPKSA-N 444.506 5.296 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(C)c1C 12414875 OLLDXPRQXAQRKW-UHFFFAOYSA-N 429.563 5.318 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ccc(Br)c2cccc(Cl)c12 12569796 ISKZEUQGFSYCNB-ZDUSSCGKSA-N 446.797 6.326 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F 12585933 WHVYEBVERFIYSJ-MRXNPFEDSA-N 435.524 5.299 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1C 12628817 BPERGHSGRYCNDQ-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CC(=O)c1ccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)cc1 12632287 YEGVRVMZYPBKMW-NRFANRHFSA-N 427.460 5.018 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 12705644 CYCSMZPUNDDZRD-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB CN(Cc1ccc(F)cc1F)C(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 12861154 GTNXFDWBZIIGKT-LJQANCHMSA-N 425.504 5.481 0 40 IKAB Cc1cccc(-c2nnc(SCCC(=O)N[C@@H](C)c3ccccc3)n2Cc2ccco2)c1 12922277 FUCDMSSZIZIVSB-IBGZPJMESA-N 446.576 5.254 0 40 IKAB CCCCn1c(S[C@@H](C)C(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O 12924967 SRBCNTWMYBEWGC-HNNXBMFYSA-N 445.610 5.003 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13016917 PWHXPBYLMGWQPF-MQVJKMGUSA-N 440.030 5.133 0 40 IKAB O=C(c1ccc2c(=O)n3c(nc2c1)CCCCC3)N1c2ccccc2CCc2ccccc21 13062961 WNZPEDVXQAXHGR-UHFFFAOYSA-N 435.527 5.200 0 40 IKAB CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13499290 RQMUQROSLHQVCQ-DEOSSOPVSA-N 448.615 5.224 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n12)CC[C@H](C)C3 13499787 NIYCQONFMOTROQ-LBPRGKRZSA-N 440.569 5.140 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(Cc4ccccc4)n(Cc4ccccc4)c(=O)c23)C1 13750969 MPBUVXZOTUEAOE-OAQYLSRUSA-N 442.628 6.248 0 40 IKAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 14083851 LQLMNKYLIPREDC-ROUUACIJSA-N 438.618 5.587 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3O)nc2c1 14270280 VKYJOMCAYDDYLM-UHFFFAOYSA-N 445.544 5.561 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)s1 16288226 PRVMZKUXUSIEDO-UHFFFAOYSA-N 432.501 5.376 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NCc3ccccc3)c2c1 16977489 QQOYYPZRIWUZMP-UHFFFAOYSA-N 433.577 5.197 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2)cc1 17095313 DZIIICQDUYHHFX-FMIVXFBMSA-N 427.331 6.506 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4c(OC)cccc4OC)cc3)nc2c1 17096940 HYRHYOKENOXOPZ-INIZCTEOSA-N 430.504 6.278 0 40 IKAB CC(C)Oc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 19450630 PFRUPJQXTWCCGR-PXDATVDWSA-N 449.620 5.314 0 40 IKAB COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O 19559737 BPWSJGYTLHQKOX-FQEVSTJZSA-N 438.524 5.190 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 20037807 YMLVPNMJEGBLCG-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)C1(c2ccccc2)CCCC1 20153566 BCKQAFUSVPNNMS-UHFFFAOYSA-N 434.561 5.072 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)cc1Cl 20529045 PLGQUUDJOSVXKD-UHFFFAOYSA-N 448.394 5.249 0 40 IKAB Clc1ccccc1-c1nnc(SCc2ccc(I)cc2)o1 21146918 GPUHGGRLBGHWDE-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB c1ccc(C(c2ccccc2)N2CCCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22027834 AOZHJAOYTIGMEA-UHFFFAOYSA-N 432.611 6.573 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22053532 LDDRAFGUSABPPM-UHFFFAOYSA-N 425.332 6.115 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 22511054 VPBHPIJZKDUQTC-FQEVSTJZSA-N 428.941 5.022 0 40 IKAB CC1CCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851938 RFNNLZARZYSIMH-KRWDZBQOSA-N 428.945 5.231 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COc2ccccc2C(=O)NCc2ccccc2)c1Cl 26811641 JWXQDZZWANTPSI-UHFFFAOYSA-N 443.330 5.249 0 40 IKAB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2cc(C)ccc21 31857577 DMJUCHFUFMAWOW-HAVVHWLPSA-N 435.527 5.300 0 40 IKAB Cn1cc(-c2nc(-c3ccccc3Cl)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 33255930 BEDNLNGYPHOSLA-UHFFFAOYSA-N 438.890 5.038 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 33606672 FKZBWJVJXLIQGD-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(Cl)cc5)nc4c3)o2)cc1C 33697316 BKGOBGJAPQDZDA-UHFFFAOYSA-N 442.906 6.203 0 40 IKAB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C/c1cccc(Br)c1 35647517 BEYDSWDVZFUQQY-NTEUORMPSA-N 427.245 5.360 0 40 IKAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833998 PBZMDRUUSVYHGT-ZDUSSCGKSA-N 442.184 5.607 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccc(F)cc2)cc1 44086620 PGGNFPWDIFRCMJ-UHFFFAOYSA-N 443.374 7.586 0 40 IKAB Cc1ccc([C@@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2)cc1 44847043 KDVOJOISPYEVAX-DEOSSOPVSA-N 438.365 5.659 0 40 IKAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 44902798 IXYFMYXIIAJZKP-UHFFFAOYSA-N 434.561 5.250 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[C@@H](C(C)(C)C)CC4)no2)cc1OC 46086849 WCTHROUJQLLFRK-AWEZNQCLSA-N 441.553 5.219 0 40 IKAB CC(C)n1ncc2c(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)cc(C3CC3)nc21 48271969 UVQJJHNEQJOKEH-UHFFFAOYSA-N 429.499 5.271 0 40 IKAB CC(C)c1c(C(=O)NC[C@@H](c2ccccc2)C(C)C)cnn1-c1ccc(C(F)(F)F)cn1 58774903 NYSIXSWXRHCEDI-LJQANCHMSA-N 444.501 5.579 0 40 IKAB Cc1sc2nc(SCCOc3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1C 59109301 XGVPRSVYNKQFMR-UHFFFAOYSA-N 442.993 5.889 0 40 IKAB O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)c(F)c3)no2)cn1-c1cccc(F)c1 67245436 TXQUESFVELWROV-UHFFFAOYSA-N 435.817 5.639 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccnc2)n2nc(-c3ccc(Cl)cc3)cc2N1 72332684 MXJSSPRKBGEPMU-XMMPIXPASA-N 441.922 5.526 0 40 IKAB Cn1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc21 72356466 JITOIROIUIJKEO-LJQANCHMSA-N 430.939 5.309 0 40 IKAB CC(C)(C)c1cc(C(=O)CSc2nnc(-c3ccncc3)o2)cc(C(C)(C)C)c1O 94992722 REIXXCYBOBOSPP-UHFFFAOYSA-N 425.554 5.407 0 40 IKAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)cs1 100492868 VKJRRJSKUCEKQH-MAEOIBBWSA-N 425.985 5.871 0 40 IKAB COc1ccc(C(=O)N2C(=O)N(c3ccc(F)cc3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 101354591 ZIQCKIBAUUBRGU-SQJMNOBHSA-N 432.451 5.157 0 40 IKAB COc1ccc(N2C(=O)[C@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@H]3C2=O)cc1 102941983 VENREXJNMXUIOK-NIKOPTJBSA-N 428.532 5.292 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1OCC 214240601 VZNNEWWRMKQBCH-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc(OC)c(OC)c1 219847395 CCPZIWYVRRSXHP-QFIPXVFZSA-N 439.939 5.817 0 40 IKAB CCCCc1ccc(NC(=O)[C@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 220718021 DFVGDZNHSXQOOD-FQEVSTJZSA-N 437.005 5.174 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 222460150 UQDZYKJKXBQAAL-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222991476 BYHHDERUGZEVAZ-IBGZPJMESA-N 447.044 5.546 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 223014690 LXTAGJYOMWYUGO-LJQANCHMSA-N 446.827 6.162 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 223114184 JAAHLTPXMFFDOW-DHIUTWEWSA-N 437.996 6.300 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223273869 ZBBWTFWMFSFJDH-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223408267 BDLFYMJFMYZZHN-VWLOTQADSA-N 438.999 5.827 0 40 IKAB Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)c(Cl)cc1Cl 224020079 XARUUEJGNCDAAX-UHFFFAOYSA-N 444.815 5.385 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COc1cccc(C)c1 224111512 SVHWXROOSRICFO-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB COc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(-c2ccccc2)cc1 224224969 XSPDQDHPOZXLPB-UHFFFAOYSA-N 441.502 6.010 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224309438 OBTYOHLAVSESSN-XMMPIXPASA-N 441.015 5.447 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224393813 PCSYKDOUEFFORT-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 224530685 SHHGKDJKLNLDFG-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB CC(C)c1ccc(N(Cc2ccc(C(=O)NCC3=CCCCC3)cc2)S(C)(=O)=O)cc1 224666170 KOLNVUGFYYCMHI-UHFFFAOYSA-N 440.609 5.006 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224667450 DKTDCHHLAUZXMI-QFIPXVFZSA-N 447.044 5.153 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 224778162 VSLJQQRWQPHFAM-LJQANCHMSA-N 447.044 5.134 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)ccc1F 224905459 MWWXBSOMWCNZEA-BJKOFHAPSA-N 434.584 6.013 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCCC3=CCCCC3)o2)c(OC)c1 224930058 XBJSDSXCYDIWTP-UHFFFAOYSA-N 432.520 5.646 0 40 IKAB Cc1cc(N2C[C@@H](C)C[C@H](C)C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919251 FCMUHVWFRXGDKL-IRXDYDNUSA-N 435.597 5.014 0 40 IKAB CCCc1nc(COc2cccc(Cl)c2Cl)c(C(=O)O)cc1-c1ccccc1F 257216407 CUKOIJLWOVYSHU-UHFFFAOYSA-N 434.294 6.424 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4C(=O)O)C[C@H]3C[C@H]21 257243119 IFOAVRZNDUTLOA-SUIZVZERSA-N 441.955 5.178 0 40 IKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCNc4ccccc4)CCOCC3)c2)c1 257284064 PBCHAGQJOAPAON-UHFFFAOYSA-N 442.603 5.538 0 40 IKAB CC(C)Cn1nc(-c2cc(C(C)C)ccc2OCC(=O)O)cc1-c1ccc(Cl)cc1 257321128 WAEVWPCNLRKWRD-UHFFFAOYSA-N 426.944 6.113 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)cc1C 408545796 OKEPISRXGSRBOU-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408574281 LLZVYVIFIBDLAK-HNNXBMFYSA-N 426.365 5.025 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 408661232 BNHTYEOVCUKFTD-RFWXGWTQSA-N 437.536 5.100 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 408694372 DOYSCTHMBJMQFF-UZUQRXQVSA-N 436.939 5.627 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)cc2C)c1 408699629 YGTOKWIIVDOPLZ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc2c(cc1/C=C1\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C1=O)OCO2 408800369 OOFLGWQYBVUHQA-LCMSMHOWSA-N 435.569 5.778 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 409104639 GJJRVNYDSHTNBZ-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1Cl 409184052 WISDMXRZAMTKGK-HNNVXOBOSA-N 442.990 7.197 0 40 IKAB O=C(NCCc1nc2ccccc2n1Cc1cccc(C(F)(F)F)c1)c1cccs1 601014530 PBYFCMOXYSRUFA-UHFFFAOYSA-N 429.467 5.137 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccc(C)cc2)c1C 872090 LGKVXSVUVIWQEJ-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccn3)nnc2-c2cccs2)cc1 1441068 LDPCWLNQNRYKEM-UHFFFAOYSA-N 441.969 5.083 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccc(F)cc3)c3nc4ccccc4nc23)cc1C 2320715 QUWNRFAKILCVLZ-UHFFFAOYSA-N 425.467 5.164 0 40 IKAB CC1(C)Cc2c(sc3nc(-c4ccccc4)nc(SCC(=O)c4ccccc4)c23)CO1 2334781 YZVOUCUAKDUWRM-UHFFFAOYSA-N 446.597 6.185 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cc(Cl)cc2C)cc1 2348008 JDNUXPSLIKALEE-UHFFFAOYSA-N 448.950 5.811 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 2416504 SZYCGCZORDIFKK-UHFFFAOYSA-N 444.380 6.206 0 40 IKAB biogenic CCOC(=O)c1oc2ccccc2c1CSc1nnc(COc2ccccc2Cl)o1 2621920 YDALXLFDYQOQTH-UHFFFAOYSA-N 444.896 5.517 0 40 IKAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccc(Sc4ccc(C)cc4C)cc3)CC2=O)cc1 2623466 OXXCXGJMNUCNMV-JOCHJYFZSA-N 444.600 5.750 0 40 IKAB O=S(=O)(c1ccccc1)c1cnn(-c2ccc(F)cc2)c1-c1ccc(Cl)c(Cl)c1 3125306 ACUCGMWHAKTNKY-UHFFFAOYSA-N 447.318 5.818 0 40 IKAB COc1ccc(S(=O)(=O)Nc2c(C)c(C)cc3c2nc(C)n3Cc2cccc(C)c2)cc1 3133390 CQPSNCFTMYMODZ-UHFFFAOYSA-N 449.576 5.128 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NCc1ccc(Cl)cc1 3235589 TWHINPYSOPNFJZ-UHFFFAOYSA-N 428.724 5.335 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ncc(Cl)cc1Cl 3261223 FWYJDNCIJZXLJV-UHFFFAOYSA-N 429.303 5.092 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 3324205 CNBYSYJODWNUME-IAGOWNOFSA-N 432.659 5.317 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2 4089841 BIKYPNSLHXFTSR-UHFFFAOYSA-N 443.355 5.700 0 40 IKAB COc1ccccc1/C=C/c1nc2ccccc2n1CC(=O)N(c1ccccc1)C(C)C 5235199 NFAGDTDGOAKMEC-ISLYRVAYSA-N 425.532 5.657 0 40 IKAB CCOc1cc(CNCC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)ccc1OC 5321933 FDYPZVDNWMLOJW-SANMLTNESA-N 439.640 6.725 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 5688284 WCVUEYKLQOPBJZ-RUZDIDTESA-N 427.548 5.177 0 40 IKAB O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Cl)cc3Cl)sc2n1 6143842 BWAIDKUKKAAUER-UHFFFAOYSA-N 427.312 6.067 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2-c2nc(-c3ccc(OC)c(OC)c3)no2)cc1 6601211 OLGTZODHASYJNA-UHFFFAOYSA-N 445.475 5.072 0 40 IKAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928854 OUYPUGHXPWTLJL-IRLDBZIGSA-N 427.544 5.528 0 40 IKAB Nc1c(Br)cc(NC(=O)c2ccc(Cl)cc2Cl)cc1Br 8702068 APPLFXMTWAILHK-UHFFFAOYSA-N 438.934 5.353 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8758391 MMFOYVRYYQURAN-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB Cc1nc(CSc2ccc(Cl)cc2)cc(OCc2ccc(Cl)cc2Cl)n1 8888061 IOGZCXYUZDHMRL-UHFFFAOYSA-N 425.768 6.617 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)s1 8920920 DDWSVIYYHIDQKF-DYESRHJHSA-N 447.398 5.648 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1OC 9158561 NXEWVZSLLCXLNQ-UHFFFAOYSA-N 436.895 5.699 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)[nH]2)cc1 9199457 DZPRDVBDDCYZFT-UHFFFAOYSA-N 435.380 5.807 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260683 CEFIDCFMTGIGDU-QHCPKHFHSA-N 426.545 5.607 0 40 IKAB COc1ccc(-c2nc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cs2)cc1 9376610 JMIOSJAWAYXQPP-UHFFFAOYSA-N 445.548 5.056 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2)S1 9431876 YHRWKLBQDMVIOB-OJFZPYELSA-N 425.513 5.381 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2OC)cc1 9464103 JDNDZAWBXVLDAX-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB COc1ccc2c(C)c(CCC(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)c(=O)oc2c1 9513841 ZHENNQKNDIKRSV-MHZLTWQESA-N 441.527 5.257 0 40 IKAB Cc1occc1-c1nnc2n1N=C(c1ccc(-c3cc(Cl)ccc3Cl)o1)CS2 9594020 CICXEXNOGJOGMJ-UHFFFAOYSA-N 431.304 5.771 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-n1cccc1)Nc1ccccc1Cl 9707884 KKMSOIYBOALNDW-UHFFFAOYSA-N 444.347 5.096 0 40 IKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cncc(Br)c1 9885344 HCUSFIXIXCGLRT-OAQYLSRUSA-N 435.277 5.106 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1 9989033 DTYYUCFRZJQEMO-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 10444102 CBZFTVXXJDUVLK-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nnc1-c1cc2ccccc2o1 10675267 IVDWDUWUDPVGFY-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB COc1ccc2nc(-c3ccc(NC(=O)CC(c4ccccc4)c4ccccc4)cc3)cn2n1 11693493 BUZWINFBILJEQV-UHFFFAOYSA-N 448.526 5.566 0 40 IKAB CN(C(=O)C1CCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12326086 PIMYLGHVCAKUCO-UHFFFAOYSA-N 437.609 5.433 0 40 IKAB CC(C)Nc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 12640350 HJFYGPUIZAIKJH-UHFFFAOYSA-N 448.455 6.445 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)cc1OC 12686148 CDJLHHBCFKBSGT-UHFFFAOYSA-N 446.532 5.143 0 40 IKAB Cc1ccccc1-n1c(SCCOc2ccccc2)nnc1-c1ccc(C(C)(C)C)cc1 12690057 QKKNQBQUOQJSOV-UHFFFAOYSA-N 443.616 6.711 0 40 IKAB c1ccc(-c2csc3nc(-c4cccnc4)nc(Oc4ccc(-c5nnco5)cc4)c23)cc1 13074531 QYGHCHGPUXCDII-UHFFFAOYSA-N 449.495 6.263 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 13100805 QANQDXWUTWCUOQ-UHFFFAOYSA-N 425.912 5.208 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684793 ZLGUQCSUFOXUHR-UHFFFAOYSA-N 436.939 5.557 0 40 IKAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2ccccc2Cl)o1 14186078 MXOMDUQPIMUZLH-UHFFFAOYSA-N 436.817 5.330 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)c(OC)c(Cl)c2)sc2c1CCCC2 16683093 AMYYQYAKDRQQKY-UHFFFAOYSA-N 428.337 5.371 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4)cc3)nc2c1 17096589 XUXQKFDVEMTRQT-MRXNPFEDSA-N 429.545 6.135 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 17098531 MGSVQDYWYVTEBE-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C 18532813 ZUOQNSNCGKNFTD-AWEZNQCLSA-N 425.570 6.049 0 40 IKAB COc1cc(CCC(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1C 19214636 YUGFCYSQMXEPPP-UHFFFAOYSA-N 443.494 5.125 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C 19765598 ALDDLPNGDFWPKV-XMMPIXPASA-N 432.543 5.020 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140106 JXHMRYPYOMEVGO-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(Cl)c(C(F)(F)F)c1 20238236 JGHDYFHNXNJKRH-UHFFFAOYSA-N 438.696 5.993 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccccc2OC)c2c[nH]c3ccccc23)cc1OC 21789279 SKOWYWXIGFWKMZ-NRFANRHFSA-N 444.531 5.146 0 40 IKAB CC(C)c1ccc(-c2noc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)n2)cc1 22057048 CGDARFZVTRASTP-UHFFFAOYSA-N 441.702 5.154 0 40 IKAB Cc1ccc([C@@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 25068685 IJVWBKWMMUUCTE-NZQKXSOJSA-N 433.577 5.206 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)cc1 27789034 FMEBUUMICFTMEC-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 28289009 GRNASWDDIHBRKY-OAQYLSRUSA-N 438.955 5.020 0 40 IKAB COc1ccc(Nc2ccccc2NC(=O)c2ccc(CSc3ncn[nH]3)cc2)cc1 32981891 RDZPFDKFJCQIOE-UHFFFAOYSA-N 431.521 5.102 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1cccc(-c2ccnc(C)n2)c1 33126166 SOLMXKLTLSVXEH-UHFFFAOYSA-N 433.562 5.253 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4cc(O)ccc34)o2)cc1Cl 33785626 KKZKAMWFRSFUAF-UHFFFAOYSA-N 436.920 5.894 0 40 IKAB CC[C@@H](C(=O)Nc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nn1C)c1ccccc1 35683151 NCBHKWWWFBUBNP-QGZVFWFLSA-N 446.532 5.072 0 40 IKAB Cc1ccc2[nH]cc(CCn3ccc4c(cnc5c(-c6ccccc6)c(C)nn54)c3=O)c2c1 40396293 ASJIOBYWBAKYTI-UHFFFAOYSA-N 433.515 5.052 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(I)c1 59241514 JDGKBUXQIXCJGB-UHFFFAOYSA-N 431.298 5.695 0 40 IKAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)c1ccc(F)cc1Br 60354059 HCTZMELLVGSRTB-UHFFFAOYSA-N 437.272 5.293 0 40 IKAB Cc1cc(C)c(CSc2nc3ccsc3c(=O)n2CCCN2CCCCC2)c(C)c1 71327636 HKORJIOCQROTNW-UHFFFAOYSA-N 441.666 5.552 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)c(C)c3s2)n1 72228585 INVYABQNCVMNDE-UHFFFAOYSA-N 432.593 6.265 0 40 IKAB CCN(CC)[C@@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 72284693 RBMVZSFJPPPQDV-LJQANCHMSA-N 441.881 5.339 0 40 IKAB O=C(c1ccncc1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349183 QQTKMFTVIROENY-UHFFFAOYSA-N 425.454 5.106 0 40 IKAB Cc1cc(-c2cccc(Cl)c2)nc([C@@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n1 72357495 HIWQHOIHFJYUTK-LJQANCHMSA-N 445.954 5.310 0 40 IKAB CC(=O)Nc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101500599 MFWXTHKWYPJOKL-NRFANRHFSA-N 442.519 5.386 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)cc1 216362372 HLWAYLMXPOUBAX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)c1ccccc1NC(=O)CCCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O 222625677 UQOZACIYENSCET-UHFFFAOYSA-N 442.503 5.014 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 222659453 ZJMKCJZYNOGYOW-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 222665081 LIIFFNAKKOJNBU-MRXNPFEDSA-N 449.422 5.387 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 222784332 ZUFMSTCKRFOCSQ-SFHVURJKSA-N 428.381 5.495 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222943597 RIAZEBHSSLCKAR-INIZCTEOSA-N 435.395 5.176 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 222975638 NLKBPMBKFJZTKK-KRWDZBQOSA-N 445.434 5.962 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223442964 GJBMQVYOKDTOCH-DQEYMECFSA-N 446.620 5.570 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1C 223952657 IVOQYDADEVOUJG-XMMPIXPASA-N 436.577 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCCCCC3)c(Cl)c2)cc1 224016618 OCKOAFAPXVVYHZ-UHFFFAOYSA-N 449.016 5.540 0 40 IKAB Cc1ccc(C(=O)N(C)Cc2cccc3ccccc23)cc1NS(=O)(=O)c1ccccc1 224100488 CBQKVVQEDBATQG-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 224177454 WFNDCXAAEIONHN-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 224311673 WQHZWTNHQAVIOC-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 224420547 JCPHXWOBLDVDGG-IRXDYDNUSA-N 434.359 5.222 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(C(C)(C)C)cc1 224522024 UENUMKHGIZOSOG-UHFFFAOYSA-N 439.502 6.492 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)[nH]1 224920000 CWSKAVFULBSMDC-UXHICEINSA-N 441.398 5.275 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 225219599 POZDIAPQVCWGDP-QHCPKHFHSA-N 429.004 5.169 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1NC(C)=O 225291840 LDAFIMVNSKATFF-UHFFFAOYSA-N 444.603 5.319 0 40 IKAB Cc1ccccc1CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@@H](C)C(=O)NC(C)C 225491336 WIATYHVOEKYMJI-QHCPKHFHSA-N 442.603 5.459 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 225522919 STIWRECKVJWOHM-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)Cc1cccc(Br)c1 225621314 YJVKGRQNKNDYIW-UHFFFAOYSA-N 446.728 6.085 0 40 IKAB COC(=O)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1C 225859170 VBLSPLVYQJXUMF-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 257322377 WFSRKUOCMWFQGH-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB CCOc1cc(CNc2ccc(Br)c(Cl)c2)cc(Br)c1OC 408557065 MSGUAPDPKXQUHH-UHFFFAOYSA-N 449.570 5.884 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408667553 VROAYMIMWGCRKM-SKGAXEKPSA-N 434.322 5.093 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1 408685440 PLKVJDTWMKZUHO-JOCHJYFZSA-N 433.356 6.090 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)c(C)c1 408696588 AYLILRHVNRNMHT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(Cl)c2)c1 408699829 WLLPHQFQOUCOIX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3cccc(C)c3)n2)c1 408724469 KYIIHRWVZDHZMF-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1 408751244 YGKZPDQNOFQHDH-UHFFFAOYSA-N 440.593 7.303 0 40 IKAB Cc1c(Cl)cccc1-c1ccc(/C=C2\SC(=N)N(c3ccc4c(c3)OCO4)C2=O)o1 408979202 PYNDOQOFLUATPG-LARPDJSXSA-N 438.892 5.693 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1OC 409050888 CEZNAXJZNCSWJB-UHFFFAOYSA-N 434.492 5.886 0 40 IKAB CCCc1ccc(OCCCc2nc(-c3ccccc3OC(C)C)ccc2C(=O)O)cc1 585265055 FUXUWBMCLGJOGK-UHFFFAOYSA-N 433.548 6.198 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c(C)c1 1268761 WERVZQCBUIVWKR-UHFFFAOYSA-N 449.967 5.126 0 40 IKAB CC(C)(C)c1cc(N2CCN(c3cccc(Cl)c3)CC2)n2ncc(-c3ccccc3)c2n1 2225081 FNJADVIXSAMBQW-UHFFFAOYSA-N 445.998 5.674 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2246490 ACSNALGVCSBTNO-SFTDATJTSA-N 436.899 5.345 0 40 IKAB O=C(C[C@@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2 2296091 LWANXKBOICVAER-XMMPIXPASA-N 440.568 5.345 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2Cl)s1 2329109 VFLJPUOWKVYUEB-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB CCCc1cc(=O)oc2cc(OCc3nnc(-c4ccccc4Br)o3)ccc12 2628930 QQGUTLXGSZSEPD-UHFFFAOYSA-N 441.281 5.137 0 40 IKAB Cc1nn(C(=O)c2ccccc2C(=O)c2ccccc2)c(C)c1Sc1ccc(Cl)cc1 2690557 OCWWSQLKUGULDQ-UHFFFAOYSA-N 446.959 6.224 0 40 IKAB CCOc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)cc1 2707270 HKFMMXUUWLELPP-DHIUTWEWSA-N 428.517 5.298 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)c1ccc2c(c1)-c1ccccc1C2 3335374 BGJZGNSGSHLZNZ-UHFFFAOYSA-N 429.570 5.696 0 40 IKAB COCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccccc1Cl 3344444 RYJNOVPBOYHFFQ-UHFFFAOYSA-N 440.956 5.091 0 40 IKAB C[C@@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3415385 QNLFARYQHKYEEQ-GFCCVEGCSA-N 438.833 5.343 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1-c1ccccc1 3457512 AVKYBTUPZPZHQT-UHFFFAOYSA-N 426.545 5.543 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 3865109 SMNNPRYAEDCRGM-XXXAISIISA-N 447.531 5.964 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1OC 6878389 XQILMMPUALZEEW-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB Cc1c(C2(c3c(C)n(C)c4ccccc34)C(=O)Nc3ccc(F)cc32)c2ccccc2n1C 8398661 HPHKJRHZDNDBQS-UHFFFAOYSA-N 437.518 5.712 0 40 IKAB COC(=O)c1ccc(COc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 8782045 OVEGRMOKSVXZHQ-UHFFFAOYSA-N 435.829 5.710 0 40 IKAB c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)n2)cc1 9168061 PNLUZIRMKBJUAV-UHFFFAOYSA-N 437.594 5.778 0 40 IKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)c1 9277460 CFAJMEAAGMACRI-UHFFFAOYSA-N 439.968 5.665 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2-c2ccc(C)cc2)cc1 9283720 ZTZVDINUVRFRRL-UHFFFAOYSA-N 444.560 5.006 0 40 IKAB O=c1[nH]c(SCc2cc(Cl)cc3c2OCOC3)nc2scc(-c3ccccc3)c12 9317861 JBFWLLZCSNWIPH-UHFFFAOYSA-N 442.949 5.464 0 40 IKAB O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1Cl 9404350 ZGWMDKZASXPQCO-NRFANRHFSA-N 431.344 5.533 0 40 IKAB COc1ccccc1CCNC(=O)Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12 9523623 AKAFFJAVVUYCEL-UHFFFAOYSA-N 432.951 5.253 0 40 IKAB O=C(c1ccccc1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 9587977 IHPREWUFRUVTDE-SFHVURJKSA-N 443.366 5.398 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(Cc2c(F)cccc2Cl)C2CC2)o1 9951703 YZAATVMXRQONIO-UHFFFAOYSA-N 438.890 5.657 0 40 IKAB CCC(=O)N1c2ccc(C)cc2[C@@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@@H]1C 10383704 AGMNXXCMNDHQKT-LVXARBLLSA-N 441.575 6.618 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 10449841 DMQQUKWGUSCKMO-UZTOHYMASA-N 442.584 5.095 0 40 IKAB CN(C(=O)CCc1ccccc1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237247 QROIFVXJVHJRMC-UHFFFAOYSA-N 445.588 5.095 0 40 IKAB Cc1nc2cc(C(=O)OCC(=O)c3ccc(Br)cc3)ccc2n1-c1ccccc1 12540386 NOLPPWVDFLSAGJ-UHFFFAOYSA-N 449.304 5.136 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12859250 TXCLQMKSALKHQJ-CYBMUJFWSA-N 438.597 5.386 0 40 IKAB Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3F)s2)c1Cl 13042526 HAARBBQWWZUERF-UHFFFAOYSA-N 444.344 5.162 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C(=O)N1c1ccccc1Cl 13371272 BRIOINWOBOGTMV-RXJAJXMTSA-N 437.926 5.764 0 40 IKAB COc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 13549392 ZGKUQETXZHVKEL-UHFFFAOYSA-N 425.297 5.077 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccccc1OC)C3 13638374 JIYZOZGVDYJSEE-MRXNPFEDSA-N 447.922 5.117 0 40 IKAB Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13776573 DBYKDXLWCPTVHU-XXBNENTESA-N 439.298 5.964 0 40 IKAB Cn1nc(-c2ccc(Br)cc2)c(Cl)c1-c1ccc(Br)cc1 13960816 ALTPIWMNXFLGHZ-UHFFFAOYSA-N 426.539 5.933 0 40 IKAB Fc1ccc(-c2nc(CSc3ncnc4c3cnn4-c3ccc(F)cc3)cs2)cc1 14803948 RCSHUJYFHFAPLR-UHFFFAOYSA-N 437.500 5.510 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3nc4ccccc4nc23)sc2ccccc12 15379346 ZTLUUEWMZJYDHA-UHFFFAOYSA-N 427.485 5.427 0 40 IKAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 15673938 BPLQIJSMIBHDDW-YLJYHZDGSA-N 440.469 5.742 0 40 IKAB biogenic,in-vitro CCOc1ccccc1C(=O)N[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16693421 BMDXWQZLJBZYDC-OAQYLSRUSA-N 433.895 5.308 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1cccc(C)c1C 17096931 WULLOYJUYAXJFM-UHFFFAOYSA-N 430.504 5.755 0 40 IKAB CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2cn(C(C)C)c3cc(F)ccc23)CC1 19454771 NNTKWZGYPCAFQU-UHFFFAOYSA-N 425.523 5.128 0 40 IKAB Cc1noc2nc(C3CCN(C(=O)[C@H](C)Cc4cccs4)CC3)cc(C(F)(F)F)c12 19564432 BWYFSLMCSUUODD-GFCCVEGCSA-N 437.487 5.196 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3oc4c(c3C)C(=O)CCC4)c2)cc1 19690681 ZTPFRRHVVBFBFU-JOCHJYFZSA-N 444.531 5.463 0 40 IKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 20150882 YBVPXGURDWGUOW-WEVVVXLNSA-N 432.259 5.612 0 40 IKAB COc1cccc(-c2csc(-c3c(N)c(C(=O)c4ccc(F)cc4)n4ccccc34)n2)c1 20441862 MSBRPZUIXABQHY-UHFFFAOYSA-N 443.503 5.691 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 20461671 BDLWTGOQYVXZSA-HAVVHWLPSA-N 427.935 5.691 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20970461 QIRUCPRFVIIHRE-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 27531957 XUYVFAAEGIVWEM-UHFFFAOYSA-N 425.579 5.287 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)oc2c1 28292304 BMNPQBTXTHLNMV-HSZRJFAPSA-N 448.607 5.459 0 40 IKAB C1=C(c2ccccc2)Oc2ccccc2/C1=C\C=C1/C=C(c2ccccc2)Oc2ccccc21 31957956 CCRCMVBZDCBWMS-GAHATOAQSA-N 438.526 8.021 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 33715227 UOSOPJKNASYMDF-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1Cl 38850237 FAERRXMOOHFHMH-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB C[C@H]1C[C@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 40070970 KKLFOGLZDYVXNE-JTSKRJEESA-N 431.020 5.398 0 40 IKAB CN(C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[C@H](c1ccccc1)c1ccccn1 40134797 RACCLADVNPHGKG-UFSNDUKISA-N 430.857 6.015 0 40 IKAB Cc1sc2nc(SCCOc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C 59109303 JOWMEIPDHLLNBG-UHFFFAOYSA-N 442.993 5.889 0 40 IKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC(F)(F)F)cc2)n1 67296813 JDVVWILDOKPVDM-SLMZUGIISA-N 439.393 5.520 0 40 IKAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)c1 72350363 XGNGZVWKYSTUQD-DEOSSOPVSA-N 441.575 5.436 0 40 IKAB COCc1ccc(OC)c(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)c1 72372709 UGJZQSWYIMQOQY-JOCHJYFZSA-N 438.597 5.391 0 40 IKAB COC1CCN(C(=O)Nc2ccc3oc(-c4cc(F)ccc4Br)nc3c2)CC1 83897745 JWTILWWCLNWMEN-UHFFFAOYSA-N 448.292 5.039 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(O)cc1)CCC2 103140849 PISQGWNBTJYEHZ-SDXDJHTJSA-N 429.516 5.589 0 40 IKAB C1=C[C@@H]2C3C4[C@@H](C=C[C@@H]4[C@@H]2CCSc2ccccc2)[C@@H](CCSc2ccccc2)[C@H]13 104290841 AYZBXVIUEAERKV-LHJPRJBTSA-N 430.682 7.448 0 40 IKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl 106971635 MYICQKQKDHSOFK-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223030913 VQUUVWVESXDZIT-ROUUACIJSA-N 433.017 5.154 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223177886 QOKMPOACJXAXOC-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc2c(c1)OCO2 224028267 OOVARFYUIPVRNN-RPWUZVMVSA-N 441.512 5.247 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1c1ccccc1 224179282 PFOMOROKXUTYDA-SVBPBHIXSA-N 446.579 6.203 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(Cl)c(C)c1 224205853 DNUNTMQAYNDSEY-UHFFFAOYSA-N 434.294 6.281 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)[nH]1 224654643 POOHMHGEEXSSJN-RPWUZVMVSA-N 426.545 5.688 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224775257 SMUNAMMFMRUKPD-NRFANRHFSA-N 435.395 5.116 0 40 IKAB COc1nc(SC)ncc1/C=C1/SCCN1C(=O)c1ccc(-c2ccccc2)cc1 225238992 RFHCODOXJWINTG-XSFVSMFZSA-N 435.574 5.062 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225585416 PYOWVERGEDJWDU-JTSKRJEESA-N 432.967 5.052 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257231131 GFKCSOQDXBJYJF-IBGZPJMESA-N 431.923 5.487 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C1)CCCC2 257262292 LKWFAJIDDSUKFT-HXUWFJFHSA-N 446.570 5.311 0 40 IKAB Cc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)O)[C@@H](C)c2ccccc2)cc1 257330912 XQOCUAGLYKBEEM-SFHVURJKSA-N 437.923 5.515 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 408599445 HIQPPDZQUJIHLM-VXLYETTFSA-N 436.360 6.265 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)c(Cl)c1 408605947 HSQFXDRFIYXWOR-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 408666299 HCSYTLRVERCFAZ-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)c1 408698639 PAGXQKXPGFZARC-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)ccc1Br 408995229 AZOUMUWTORBNAW-QHCPKHFHSA-N 449.392 6.826 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 409129401 GOUHCBSHVDWTNN-RCCKNPSSSA-N 433.485 5.314 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409156505 GBVBEOGMVMSDMS-NNIWKIFQSA-N 438.549 5.156 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3Cl)cc2)cc1 409409937 KCGRIRSNZOQUIK-UHFFFAOYSA-N 442.049 6.604 0 40 IKAB CN1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2C(=O)c1nccc2ccccc12 585261478 YGYRTBYLHDXKKV-LGUFPPMKSA-N 439.603 5.324 0 40 IKAB Cc1cccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)c1C 585266017 ZENCGOCTOQHSGS-UHFFFAOYSA-N 425.912 6.083 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(C)cc2)c1C 647581 CDOYTUXPSXKVGX-UHFFFAOYSA-N 428.535 5.108 0 40 IKAB O=C1c2cccc3cc(Br)cc(c23)C(=O)N1Nc1cc(Cl)ccc1Cl 832952 GXKVDBOFFXRUDN-UHFFFAOYSA-N 436.092 5.532 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 900410 NRYVNIJBZVAFMV-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F 901377 CTYQZVHIHHYKTC-UHFFFAOYSA-N 431.411 5.233 0 40 IKAB CCC(C)(C)NC(=O)c1cc(C(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c[nH]1 1394652 LZINYDLJPHHBTR-UHFFFAOYSA-N 434.323 5.434 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccc(Cl)c(Cl)c1 2093022 NQCGYBYPFXGXEH-UHFFFAOYSA-N 441.745 7.423 0 40 IKAB Nc1ccccc1S[C@H](CC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 2178970 AWHUPTMENPKGFY-MUUNZHRXSA-N 439.580 6.954 0 40 IKAB CCN(CC)c1nnc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccc(C)cc3)nc12 2181187 VYUBAVAKOBBKFH-UHFFFAOYSA-N 433.559 6.304 0 40 IKAB O=C(COC(=O)c1ccc(N2Cc3ccccc3C2)cc1)c1ccc(-c2ccccc2)cc1 2187556 GEMWCBOPAXLLOH-UHFFFAOYSA-N 433.507 5.914 0 40 IKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)c(C)c2)cc1 2211734 QGQSJEDSPHOHAH-UHFFFAOYSA-N 429.321 6.015 0 40 IKAB Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 2229698 GMGUTPXCSUJORP-UHFFFAOYSA-N 447.778 6.582 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)sc1C 2249530 SPOLCUAPNGDMKC-OAQYLSRUSA-N 430.529 5.740 0 40 IKAB CCCCNC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2650418 AUNMJJXHPUZEMH-UHFFFAOYSA-N 436.625 5.549 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3247038 PXXBVQOQTYNKNC-MRXNPFEDSA-N 430.529 5.710 0 40 IKAB O=C(COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)Nc1ccc2ccccc2c1 3304389 PUYUCCWFEIGSSF-UHFFFAOYSA-N 449.428 6.321 0 40 IKAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)cc1C(F)(F)F 3319934 LPLQBGMSRJMOHY-UHFFFAOYSA-N 442.846 5.083 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccc(C)c2)cc1 3366212 VPYRUYAPLHGGPI-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB C[C@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C 3376542 GWGDCIAVNWJTBL-CYBMUJFWSA-N 435.380 5.172 0 40 IKAB O=c1oc2c(cc(NS(=O)(=O)c3ccc(C4CCCCC4)cc3)c3ccccc32)s1 3653689 WXJIRKPIFFEDCF-UHFFFAOYSA-N 439.558 5.856 0 40 IKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655588 JXMMRURJRDWBAD-OAQYLSRUSA-N 431.463 5.907 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CCC3)cc1 4062389 FRROLMPZPWDZMM-UHFFFAOYSA-N 437.590 5.697 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 5174293 BHFXPRVOVPIQGF-UHFFFAOYSA-N 428.576 6.786 0 40 IKAB Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)coc2c1 8611981 OBBBXFTYWIJAOI-UHFFFAOYSA-N 427.431 6.039 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CSCC4)cc1 8706676 JGRKINUTUNMJMP-UHFFFAOYSA-N 447.585 5.596 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3o2)cc1 8896523 SWLNMWYSVQACNW-UHFFFAOYSA-N 447.516 5.210 0 40 IKAB Cc1sc2nc(CSc3ccccc3)nc(NCCc3nnc4ccccn34)c2c1C 9112214 PPGYFASHWRTNAB-UHFFFAOYSA-N 446.605 5.298 0 40 IKAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4c(C)nn(-c5ccccc5C)c4s3)CC2)c1 9160975 FZTIGOJMUXGXBH-UHFFFAOYSA-N 444.604 5.283 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9193120 NOHVQQPZOWPHEA-QHCPKHFHSA-N 426.472 5.035 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 9295681 ZXUKZAZYNIICIV-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 9341244 OQUSCNJROJDOOY-UHFFFAOYSA-N 442.298 5.937 0 40 IKAB biogenic C[C@H](NC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 9446420 UEUYOFXRFJVEFQ-GBXCKJPGSA-N 427.548 5.475 0 40 IKAB Cc1nc(N)nc(-c2ccc(OCc3ccc(F)cc3)cc2O)c1-c1ccc(Cl)cc1 9450733 FDDUZCSLMWUVMZ-UHFFFAOYSA-N 435.886 5.778 0 40 IKAB COc1ccc(-c2noc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c(OC)c1 9465900 JFVMHEWMESEWQY-UHFFFAOYSA-N 448.319 5.370 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccnn3C3CCCC3)[C@@H]2c2cccs2)cc1 9466173 IGNLGPHCFCDLHA-GBXCKJPGSA-N 448.592 5.491 0 40 IKAB CCOc1cc(NC(=O)c2cccc(N(C)C)c2)c(OCC)cc1NC(=O)c1ccccc1 9612607 FIQXPOJSTIQMAI-UHFFFAOYSA-N 447.535 5.055 0 40 IKAB Cc1cccc(NC(=O)Nc2nc(CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)c1 9625560 GDLMGNOPQZBYQN-UHFFFAOYSA-N 435.336 5.584 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c(C)c1 9886476 HMYREENTSSTUFR-UHFFFAOYSA-N 442.540 5.512 0 40 IKAB CCOC(=O)[C@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 11866618 CCVSZEVPEMJNRL-AREMUKBSSA-N 442.511 5.684 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 12478314 SGCGCKJPYAASIK-RUZDIDTESA-N 446.547 5.434 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C 12586177 CDVHQJRRSUCZGP-KRWDZBQOSA-N 431.960 5.204 0 40 IKAB COc1ccc(NC(=O)[C@H](Oc2ccc(Cl)cc2Br)c2ccccc2)cc1 12603211 VESGORDZBBIAQP-HXUWFJFHSA-N 446.728 5.870 0 40 IKAB Cc1nc(SCC(=O)c2ccc3c(c2)CC(=O)N3)c2cc(-c3ccccc3)sc2n1 12903323 JMDUYPLHZLWGSD-UHFFFAOYSA-N 431.542 5.136 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)N(C)Cc3ccc(OC)c(OC)c3)ccc21 13058446 ZEVUUZDAQJTGCC-GOSISDBHSA-N 445.563 5.291 0 40 IKAB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@H](C)Cc2cccs2)cc1 13069345 XXJPEBISIISYMY-GOSISDBHSA-N 443.996 5.757 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(Nc3ccccc3)s2)ccc1Br 13075890 OSMLRZPRXCMSAY-UHFFFAOYSA-N 435.372 5.083 0 40 IKAB CSc1cccc(NC(=O)CSc2nc3cc(Cl)ccc3c(=O)n2CC(C)C)c1 13097445 ACHZMGAZPFIXEL-UHFFFAOYSA-N 448.013 5.159 0 40 IKAB CCOC(=O)Cc1csc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1 13097475 DRRSDEYGGIDOST-JOCHJYFZSA-N 425.575 5.582 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccc(Cl)cc1 13502417 IJBUIJJBUWDAEP-DEOSSOPVSA-N 447.966 5.572 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(c1ccccc1)c1ccccc1 13950626 AQSFPPJERGIWDT-UHFFFAOYSA-N 446.575 7.248 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@@H]3c3cccn3C)nc12 14129519 GWSWFZFLHGCHMV-JOCHJYFZSA-N 444.604 5.314 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@@H]1CCC[C@H]21 15162707 JCMRXPLXUHWJKN-LIOHBJMPSA-N 436.599 6.622 0 40 IKAB C/C(=N\n1c(-c2cccc(Cl)c2)cs/c1=N\c1cc(C)ccc1C)c1ccc(C)cc1 15910812 CRAPSIQEFGVIMC-JARGOHATSA-N 446.019 7.300 0 40 IKAB Cc1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(=O)n(-c2ccccc2)n1C 16249149 FPAOOKXQHRNMCI-OQKWZONESA-N 443.934 5.317 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2F)cc1 16309810 AMQOCYACTSWILF-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1ccc2oc3ccccc3c2c1 16525532 FLNMDNKLOCDGAJ-UHFFFAOYSA-N 449.915 6.833 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 16681544 XNYPEOSODONAOV-UHFFFAOYSA-N 428.363 5.541 0 40 IKAB COc1ccccc1-c1nnc(SCc2nc3ccccc3[nH]2)n1-c1ccc(Cl)cc1 16789009 HNIKQCZBHORVDA-UHFFFAOYSA-N 447.951 5.765 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19343540 VAQVKZQFVWAZSW-YPAWHYETSA-N 426.582 5.079 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)CSc2ccc(Cl)cc2)cc1 19632925 QARDSJCGFBPOQR-UHFFFAOYSA-N 440.952 5.237 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 19643108 ABGMYSKNQSQYQZ-AWEZNQCLSA-N 445.382 6.104 0 40 IKAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC 19691499 NTLWKXQOCXUOGF-QHCPKHFHSA-N 434.511 5.120 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 19934459 IJNLADWOBCCPSI-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(F)c(Cl)c3)oc12 20343589 SZOPCXJLZXEQEJ-UHFFFAOYSA-N 434.490 5.703 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4Cl)o3)sc2c1 20411827 HEPVGVMZDYIWTF-UHFFFAOYSA-N 440.908 6.027 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20493116 KEUFVCASZIVKQR-QFIPXVFZSA-N 427.903 5.532 0 40 IKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 20610457 QDBRYCSDFHILDY-UHFFFAOYSA-N 432.347 5.755 0 40 IKAB biogenic Cc1nc(COc2ccc(/C=C/C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 22194844 CXWWTJKIIVKOTG-VRQAPCGNSA-N 444.560 5.107 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 22275579 OVMSOMPXSVSBAY-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CC(=O)N(c1nc(COC(=O)CCc2cccs2)cs1)c1c(C)cc(C)cc1C 22314784 UPEXFNZAHHJDPZ-UHFFFAOYSA-N 428.579 5.490 0 40 IKAB CCn1cc(C(=O)N[C@@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 22606075 CLHPVLVHSAJEHQ-INIZCTEOSA-N 430.470 5.456 0 40 IKAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 22925421 XUGORGRQDZDQJO-UHFFFAOYSA-N 446.600 5.256 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 28628675 BPNGGJULFGVECG-WNXIRNOKSA-N 448.349 6.236 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)Nc1nnc(C2CCCCC2)s1 29090318 LNVOBSDQACEVNU-UHFFFAOYSA-N 429.571 5.130 0 40 IKAB CCCOc1ccccc1C(=O)Nc1nc(C)c(-c2nc(-c3cccs3)no2)s1 31816022 GKEJBTXMQVVJJB-UHFFFAOYSA-N 426.523 5.271 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1sc2ccccc2c1Cl 32119088 FIFYYEPHSYOEKP-UHFFFAOYSA-N 431.753 5.694 0 40 IKAB CSc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c1 41076866 NTUTYMJOBFAMQB-UHFFFAOYSA-N 437.565 5.676 0 40 IKAB CCc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)c1 49422081 XVBAKOCYMMMDKR-UHFFFAOYSA-N 442.494 5.138 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(Br)c1 57317049 AONUEZAWSPKAFC-UHFFFAOYSA-N 435.115 5.402 0 40 IKAB CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3ccc(C)cc3)c(=O)c21 64817163 KLNXOPABIOYACS-UHFFFAOYSA-N 438.984 5.224 0 40 IKAB O=C(Nc1cccc(N(CC2CC2)C(=O)c2cc(F)cc(F)c2)c1)c1cc(F)cc(F)c1 72300876 TVESTGJOHVDTBS-UHFFFAOYSA-N 442.412 5.552 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-n4ccnc4C)cc3)c12 95101207 RFASUBIFRVJMLA-UHFFFAOYSA-N 448.530 5.353 0 40 IKAB O=C(c1ccc(F)cc1)c1ccc(Oc2cc(C(F)(F)F)nc(-c3ccncc3)n2)cc1 95398705 SQNRGENUCZQJAL-UHFFFAOYSA-N 439.368 5.720 0 40 IKAB O=C(N[C@@H](C(=O)O)c1cccc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 95748956 ZEOKRQSOCRHGCY-OAQYLSRUSA-N 441.405 5.370 0 40 IKAB CC(=O)Nc1ccc([C@H]2c3c(c4ccccc4oc3=O)Nc3ccc4ccccc4c32)cc1 101581180 CVWIECJFFWTIFO-XMMPIXPASA-N 432.479 6.142 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102727556 MYRHAKXGORPFSA-LRTDBIEQSA-N 441.314 6.603 0 40 IKAB C[C@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cccs4)n3-c3ccccc3)cc21 102896379 LYRHDLHXMAVQIZ-CQSZACIVSA-N 446.557 5.026 0 40 IKAB O=C1C(Nc2cccc3ccccc23)=C[C@H](c2ccc(F)cc2)N1c1cccc2ccccc12 103678509 YWTQCIAYMSXOEZ-GDLZYMKVSA-N 444.509 7.216 0 40 IKAB Cc1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)o2)c(Br)c1 113836877 QXXPSIHDXHPFBO-XDHOZWIPSA-N 440.318 6.258 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 169744794 VGSSUFQMXBFFTM-ZLDASNSKSA-N 448.732 6.190 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223329830 ATOQJNUZLLZQLB-GOSISDBHSA-N 449.422 5.486 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223429382 KMFZVCMTABYWIA-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223939680 DUGVUVBUZSJCIP-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224025618 GYQZNJXLIFVWQA-MHZLTWQESA-N 442.603 5.094 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224052812 DEEMHIMXDTTYAB-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(Br)cc3)ccc2OC)cc1 224265094 MCLPYGPSUITFHU-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)[nH]1 224627261 VNORILRAVPJSJC-RPBOFIJWSA-N 440.572 5.996 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224629970 KCURNTCJLMRFCN-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225103985 SBGGFUYSZNEBKB-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225200989 WIXFJBITXNVBSF-RBUKOAKNSA-N 429.004 5.167 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225225657 XOZDZEYVHKMFJK-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c1 225768860 JLAMBDKVIBJHMZ-XMMPIXPASA-N 432.589 5.865 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833624 IORBJGJWBJMPFG-HXUWFJFHSA-N 425.532 5.474 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(Br)c1 227157569 VTDDARSUAYJUET-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cn5cccc(C)c5n4)C3)c2)cc1 257266398 MCVSEVOQSZBGQK-OAQYLSRUSA-N 440.547 5.042 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@H](C)C2)cc1 260818188 WWZWIXVLJVGFMS-QFIPXVFZSA-N 432.649 5.603 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3cccc(I)c3)cc2)c(C)s1 408579993 MKVRCFRRFDNDRO-UHFFFAOYSA-N 434.302 5.284 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OCC 408612585 SUJUOBVWBQTMGX-UHFFFAOYSA-N 443.179 5.930 0 40 IKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2cccc(Cl)c2)cc1Cl 408692773 VBJRCLCXZRWRLE-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)cc1 408696230 YGHITHDXMDCZDT-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1c(Cl)cccc1Cl 408705141 YTEMXVXDHOTUHN-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 408768501 GNUGYQRUYJPXBL-WDONWYDGSA-N 448.544 5.204 0 40 IKAB Cc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)cc1Cl 408826153 KURYFNIBYIMBTM-UHFFFAOYSA-N 442.165 6.440 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccccc2C(=O)O)cc1 409182019 HMGFZQALNXUFBB-HHHXNRCGSA-N 448.522 6.059 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3sc(C)c(C)c3c2=O)cc1 409213051 SDGNCZVNGYKVDK-UHFFFAOYSA-N 443.638 5.110 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)c1 409237419 WPNWXUBYLVNFQB-WQRHYEAKSA-N 427.287 5.655 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)c1 409251904 AHKORXIVKMFBPF-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872782 PXAKEYWQBZWMOB-GRSYGWAWSA-N 426.528 5.900 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCC2 672960 RRZMWANATJXEKS-UHFFFAOYSA-N 448.393 5.301 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F)N1CCCCCC1 998725 UEKNBIZOGBAHQT-YPMHNXCESA-N 432.899 5.275 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1cccs1 1333567 LQMHPPAVBSFHEB-XMMPIXPASA-N 432.589 5.581 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 1381825 TYCHKPWSLCUDRC-HNNXBMFYSA-N 425.315 5.576 0 40 IKAB Cc1ccc(NC2=C(CC(=O)O)[C@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 1886098 WDXUFGNIWPKZQR-VWLOTQADSA-N 430.479 5.371 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(Br)cc3)ccc12 2150360 IYVUKTLHBLIAEA-UHFFFAOYSA-N 429.310 5.468 0 40 IKAB biogenic COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)ccc1OCc1ccccc1 2177236 REIPMRWKLRFYLF-HHHXNRCGSA-N 436.511 6.045 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1C 2354504 NSLYFKLCKKAWIO-GOSISDBHSA-N 435.531 5.264 0 40 IKAB Cc1c(C)c2ccc(OCc3ccc(Cl)cc3)c(I)c2oc1=O 2358310 QJWFKFUCWRHTGC-UHFFFAOYSA-N 440.664 5.247 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 3012601 WUMOCZDSOZCCRD-MOPGFXCFSA-N 448.876 6.066 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012747 JAGVVJLHFILJON-RBUKOAKNSA-N 430.430 5.113 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2NCc2ccc(Cl)cc2)cc1 3214533 GLYPHEPOFCNIGO-UHFFFAOYSA-N 438.936 5.748 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(Cl)c1Cl 3234531 SZLDLTRFHRNNQZ-UHFFFAOYSA-N 441.270 5.597 0 40 IKAB O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12 3315370 LWIPGGPOCYIMJI-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3343280 WYRYYSIKDONLSW-UHFFFAOYSA-N 429.972 7.552 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccc(Cl)cc2)c1 3483302 YQMQSWJPLIGZQT-UHFFFAOYSA-N 443.016 5.634 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 3505914 KDYHXRWYCWOXGP-UHFFFAOYSA-N 432.549 5.057 0 40 IKAB O=c1ccc(-c2ccc(OC(F)(F)F)cc2)c2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 4258720 APHDCKYZBOWIJO-DOTOQJQBSA-N 446.494 5.095 0 40 IKAB biogenic,in-vitro CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 4646522 GPUFBDGDSHCGJK-QXAKKESOSA-N 425.594 5.818 0 40 IKAB C[C@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c23)C1 6016774 LJPYWLWMNLKAKI-QMMMGPOBSA-N 430.904 5.907 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 8453413 PZWKYJOOUSYJIX-UHFFFAOYSA-N 448.613 6.114 0 40 IKAB Clc1ccc(CSc2nnc(/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)cc1 8857364 KBZPQZOOIMMLCY-OVCLIPMQSA-N 438.383 7.037 0 40 IKAB COc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1OC 8861817 UTTXRYBVTSHBBZ-UHFFFAOYSA-N 430.508 5.257 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(-c2ccccc2)cc1 8902692 ZYVBNDPKSJLTEE-UHFFFAOYSA-N 439.496 6.061 0 40 IKAB CCOP(=O)(OCC)C(NC(=O)C(c1ccccc1)c1ccccc1)=C(Cl)Cl 8917324 CTZIUJBVGBSMRG-UHFFFAOYSA-N 442.279 5.805 0 40 IKAB Cc1nnc2c(NCCc3ccc(Cl)cc3)nc3ccc(C(=O)c4ccccc4)cc3n12 9224689 KAPXQCPEDNXBRZ-UHFFFAOYSA-N 441.922 5.125 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nc(-c3ccccc3)cs2)cc1 9354783 ZMEYHSRZMDFJOI-UHFFFAOYSA-N 449.557 5.172 0 40 IKAB CCC(=O)Nc1ccc(-c2csc(NC(=O)Cc3c(C)nc4ccccc4c3C)n2)cc1 9378875 OVLBSYPQTXPAIF-UHFFFAOYSA-N 444.560 5.505 0 40 IKAB Cc1ccccc1COc1ccc(-c2[nH]nc(C)c2-c2ccc(Br)cc2)c(O)c1 9410138 OHIIWEOGECGSQQ-UHFFFAOYSA-N 449.348 6.408 0 40 IKAB CC[C@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 9416613 IQXPLZONHVXUPH-LBPRGKRZSA-N 425.934 5.858 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)C(Cc1ccccc1)C(=O)Nc1cc(Cl)ccc1C 9434727 XIKKFKSDZACVAR-UHFFFAOYSA-N 441.358 6.046 0 40 IKAB COc1cccc(C(=O)Nc2c(C(=O)Nc3ccc(C)c(C)c3)oc3ccccc23)c1OC 9518401 FLKFPWLKETUYIU-UHFFFAOYSA-N 444.487 5.571 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cccc(Cl)c2)nn1 9578265 OUZGQMJQZPWXID-UHFFFAOYSA-N 427.957 6.660 0 40 IKAB CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@H]2c2cccs2)c(C)n1 9664640 CXUQEDCUSYJYSZ-FQEVSTJZSA-N 429.636 5.045 0 40 IKAB Cc1ccc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)cc1C 9708828 FJFRVEDSTLYAPK-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 11574421 BEUJWHKEMDXCNA-UHFFFAOYSA-N 426.520 5.074 0 40 IKAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccc5oc(C)cc5c4)C3)cc2n1 12257778 HKTTVLWHPCRIQM-MRXNPFEDSA-N 442.441 5.131 0 40 IKAB CCc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(F)cc3)cs2)CC1 12877511 WBBKHYBJRPRMKU-UHFFFAOYSA-N 426.586 5.031 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)n1 12938120 VQUFLPCKDSVVNH-NSHDSACASA-N 430.530 5.161 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@@H](c3ccccc3)OC4=O)c2)cs1 13017651 UYDGDFFTGSDLSX-DEOSSOPVSA-N 440.524 5.825 0 40 IKAB O=S(=O)(NC[C@H](Sc1nc2ccccc2s1)c1ccccc1)c1ccccc1 13150219 JFODNCYASWUYJD-FQEVSTJZSA-N 426.588 5.108 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1S(=O)(=O)Nc1ccccc1 14154903 YDEOAYJSYBDDMN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccccc1Oc1ccccc1 16009010 PYZNARFWNVEUHL-UHFFFAOYSA-N 426.266 5.265 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCC(C)C)c4)c3)nc2c1 16610898 XLCRVQNHUMOTNK-IBGZPJMESA-N 442.559 7.295 0 40 IKAB COc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)cc1 16711372 RQJMSBHYHOEBIJ-RWEWTDSWSA-N 441.383 6.813 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCCc1ccccc1 16841181 SEDMGHBGVVEZSS-UHFFFAOYSA-N 438.556 5.001 0 40 IKAB O=C(NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1sc2ccccc2c1Cl 17043945 RQUFJDFHHFCFER-UHFFFAOYSA-N 445.253 5.200 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccc(F)cc1 17099399 GBZBUTATRUNMIK-JXMROGBWSA-N 435.307 5.919 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 19687025 LQQXXBKMUFNOTA-QHCPKHFHSA-N 432.568 5.092 0 40 IKAB Cc1nc([C@H]2CCCN2Cc2cccc(Cl)c2Cl)ncc1C(=O)N1CCCCC1 19756113 ZVNOXZPSHBYEIH-LJQANCHMSA-N 433.383 5.055 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 19929303 AEGRLEUXEUQSKG-UHFFFAOYSA-N 432.864 5.092 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccc2ccccc2c1)c1ccc(Oc2ccccc2)cc1 22273733 DMZXABJJKSSVPI-UHFFFAOYSA-N 446.528 5.037 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1C 23127020 MVTLHCVEJIIPBD-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB Cc1cccc([C@H](NC(=O)C(Cl)(Cl)Cl)Oc2ccc(Cl)cc2Cl)c1 28293991 UFMJDMRSZGTSBI-CQSZACIVSA-N 427.542 5.866 0 40 IKAB Cc1cc(C)c2nc3c(c([C@@H](O)[C@@H]4CCCCN4)c2c1)CC/C3=C\c1ccc(Cl)cc1 31761056 RBWRXGUYQAVWHA-KCGQGPFKSA-N 432.995 6.167 0 40 IKAB in-vitro Cn1ccnc1SCc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)o1 32818008 QKHGYUDQPARPAX-IBGZPJMESA-N 427.526 5.025 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)c1 34930868 JQQUYBFWCMREBP-UHFFFAOYSA-N 441.597 5.005 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1N1CCc2ccccc2C1 40071003 VKVLYJOQWVFMPD-HHHXNRCGSA-N 437.543 5.152 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 44905442 LMQRHQDQQTWFEL-OAQYLSRUSA-N 446.566 5.567 0 40 IKAB COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccccc3)c(C)o2)cc1 48989885 MLNLGRRYDTZPEN-UHFFFAOYSA-N 434.517 5.054 0 40 IKAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3cccc(Cl)c3)c2)cc1)c1cccc(F)c1 49422230 KSAOZTNDROIBMO-UHFFFAOYSA-N 448.885 5.229 0 40 IKAB COc1cccc(Cn2c(SCc3ccc(F)cc3)nc3c(oc4ccccc43)c2=O)c1 67259843 HLFYHXVNYVOUCZ-UHFFFAOYSA-N 446.503 5.631 0 40 IKAB COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccc4)C=C3C)nc2c1 72320997 WRLNJQSNVHLIOP-HJOGWXRNSA-N 445.607 5.536 0 40 IKAB biogenic,in-vitro COc1cc(/C=C(\Cl)c2nc(O)c3c4c(sc3n2)CCCC4)cc2sc(=O)oc12 96315804 CVBREUPXBZQCCW-WDZFZDKYSA-N 446.937 5.189 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 101354147 SGXOHNMHEMWXGE-UHFFFAOYSA-N 449.846 5.103 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 102707027 XDVFYFCTFGIXLK-DSITVLBTSA-N 438.458 5.030 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 106718879 LVVOJLAEVFVJIB-WMWHPZEKSA-N 447.556 6.262 0 40 IKAB CN(C)CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)(C)N(C)C)[C@@H]3CC[C@@H]2C1 118923227 YQHUMJXBHFISTA-XWXYNRRJSA-N 446.720 5.459 0 40 IKAB C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C(C)(C)C)cc1 218904355 NVZGKWSRZVHJMB-INIZCTEOSA-N 440.381 6.156 0 40 IKAB CCOc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 219265130 OINABWSXMFWVDD-UHFFFAOYSA-N 435.589 5.619 0 40 IKAB O=Cc1ccc(OC(=O)[C@H]2C[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1 221844764 WYZONEKYHPKPHC-OWYVNGRQSA-N 448.944 5.256 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1 222716760 RRKOMUJNYYCFDA-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 222800118 WPXHUKIEISTHNK-UHFFFAOYSA-N 427.375 5.675 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(Cl)cc1 222889410 NKFDCTZRJPUQMU-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc2c(c1)CCCC2 223103499 FKEGFGNXTHVCCA-RUZDIDTESA-N 425.016 5.698 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 223398008 FWKPAVSEICHQKE-GOTSBHOMSA-N 445.979 5.093 0 40 IKAB O=C(NCC1(c2ccccc2)CCOCC1)/C(=C/c1ccccc1Cl)c1ccccc1 223854089 HNDYERFEAGZTLH-LYBHJNIJSA-N 431.963 5.745 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Nc2ccc3ccccc3c2)nc1 224047389 BFKFJNPQPBWLSA-UHFFFAOYSA-N 428.517 5.194 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1C(C)C 224230546 NUSAXYXBLVPQOI-UHFFFAOYSA-N 443.465 6.669 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 224410819 YFJKQMHWQIKOSB-GOTSBHOMSA-N 447.560 6.142 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 224426293 VPWCSPBZCLJJRT-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(-c3ccccc3)c2)N1c1ccc(Cl)cc1 224480568 ZUIDLKGQRIGZBI-DHIUTWEWSA-N 430.964 5.703 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 224726561 LWPBVXKODQOVOT-JOCHJYFZSA-N 434.624 5.356 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225014801 OJNIOWVQPQAFJF-VXKWHMMOSA-N 440.653 5.177 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225035440 VZBYORLSTPVBHU-FGZHOGPDSA-N 436.640 5.557 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225054425 QJSBFNJCHUYQOV-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 225167540 ZKXQYYPCBGCYSK-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225346456 DMVOPCGMBZCNMJ-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CC1CCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)CC1 225534668 MBJKJMOIDNLBHP-UHFFFAOYSA-N 434.624 6.028 0 40 IKAB COc1cccc(-c2ccc(C(=O)N3CCC(Oc4cccc5cccnc45)CC3)cc2)c1 238925147 UOSNPWSPSSCGQZ-UHFFFAOYSA-N 438.527 5.594 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccncc2)CC1 257261638 LIFLKIBPCUJHOM-UHFFFAOYSA-N 445.582 5.239 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(OC(C)C)c(Br)c3)N21 260786482 XOMZTWZWDZQYST-XPGWFJOJSA-N 446.414 5.611 0 40 IKAB COc1cccc(C(=S)NCc2ccco2)c1OCc1ccc(Br)cc1 408571196 AAEDXOZXQYUGGV-UHFFFAOYSA-N 432.339 5.095 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 408575731 PZUJKHXUCYVXPX-UHFFFAOYSA-N 443.999 7.152 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1ccco1)c1ccccc1 408576334 SKOGKHOEKZIGQL-OQKWZONESA-N 427.887 6.343 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 408603368 GDMSQUZODWOHIH-NRFANRHFSA-N 438.936 5.093 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408678656 UKHNSGQNQDDOHG-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1 408700046 AFCORHYEYJUHSJ-UHFFFAOYSA-N 449.016 5.500 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C(=O)O)cc4)C(=O)O3)sc2c1Cl 408973562 UIADQCSIPDHRSE-WQLSENKSSA-N 448.283 5.259 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1C 409097980 HXNXIHNJEGTBKZ-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB COc1cc(Br)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409132916 PIBDWNBLTWVJQM-RQZCQDPDSA-N 440.359 5.083 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)ccc1Cl 409179695 SNXDHTAZFPNLAT-UHFFFAOYSA-N 432.259 5.170 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OCCSc1cccc2ccccc12 409259825 GCIPFIGSAIQQIJ-UHFFFAOYSA-N 443.593 7.296 0 40 IKAB CC[C@@H](C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 585295395 XYDBMXYRMWTJFX-CARROKOZSA-N 444.015 6.151 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3ccc(N4C[C@H](C)O[C@@H](C)C4)cc3)c2C)cc1 643551959 VFBDBWDWHILOFY-OALUTQOASA-N 430.548 5.537 0 40 IKAB Cc1cc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)c(C)s1 643553252 GFQXACBZZMFODD-UHFFFAOYSA-N 440.653 6.351 0 40 IKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCC1CCCCC1)CCOCCO2 643572555 HLINTFLXOHMSCO-UHFFFAOYSA-N 435.608 5.684 0 40 IKAB Cc1nnc2sc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 624115 OBLSGWADRJJXHA-UHFFFAOYSA-N 425.926 5.282 0 40 IKAB FC(F)(F)c1cccc(NC(=S)N2CCS[C@H]2c2ccc(Br)cc2)c1 716945 DROWEFDSJWWLCA-HNNXBMFYSA-N 447.345 5.912 0 40 IKAB O=C(CSc1nnc(COc2cccc3ccccc23)o1)Nc1ccccc1Cl 877794 VVYBBGYFZFHVAO-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2C)c1 933569 YVWFBQZMANZRST-UHFFFAOYSA-N 444.560 5.160 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 1341594 OBBNQJFECBRUAD-HSZRJFAPSA-N 436.577 5.482 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 1346153 VVKKXCYUFXEYFA-UHFFFAOYSA-N 442.544 5.335 0 40 IKAB CC(C)(C)c1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1774246 RBTJZNPNJMLVME-UHFFFAOYSA-N 432.951 6.093 0 40 IKAB Cc1cc(Oc2coc3cc(O[C@H](C)C(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl 1775158 YPILLHZYTDZBQN-MRXNPFEDSA-N 444.911 5.822 0 40 IKAB O=c1oc2c3c(ccc2c2c1CCCC2)OCN(c1ccc(Oc2ccccc2)cc1)C3 2112550 HMLRLBAPUJGWSN-UHFFFAOYSA-N 425.484 5.821 0 40 IKAB biogenic O=C(NCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2127651 QVESEVQLITUPES-UHFFFAOYSA-N 439.446 5.181 0 40 IKAB biogenic Cc1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1Cl 2220383 WXRCFZRNWHWQJF-UHFFFAOYSA-N 447.951 5.109 0 40 IKAB Clc1cccc(-c2nnc(SCc3cccc4ccccc34)n2-c2ccccc2)c1 2352358 DPINYTSTUCIYKV-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 2678317 GWHMOUUSCQSNIW-MRXNPFEDSA-N 438.852 5.373 0 40 IKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2714419 GYPZWKHDWUTJRB-UHFFFAOYSA-N 440.934 6.883 0 40 IKAB O=C(Nc1cccc2ccccc12)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 2725449 SCPVSGSELDTJLV-UHFFFAOYSA-N 443.208 5.956 0 40 IKAB CCCCCOC(=O)c1ccc2c(c1)C(=O)N(C1c3ccccc3Oc3ccccc31)C2=O 2922026 IZYFVZIWGZWCJJ-UHFFFAOYSA-N 441.483 5.525 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 3012765 HUGDTICCNXCSBI-WOJBJXKFSA-N 428.458 5.721 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)c(OC)c1 3215573 OCJHYHQSDHFFRL-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(-n4nnc5ccccc54)c23)cc1 3304184 BGUWAHCCXKLZQL-UHFFFAOYSA-N 426.549 5.078 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3cccc(Br)c3)c2C1 3342289 CHDYSZUATNPALX-CQSZACIVSA-N 438.321 5.162 0 40 IKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 3349618 JHJRCTBNJPHBLL-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 3418793 JXBHHHDBQCZEGV-KRWDZBQOSA-N 442.821 5.152 0 40 IKAB Cc1c(C(=O)NC(c2ccccc2)c2ccccc2)sc2nc3n(c(=O)c12)CCCCC3 3428165 RPCWTIDZLVRUIP-UHFFFAOYSA-N 443.572 5.012 0 40 IKAB CCOC(=O)C1=C(Nc2ccc3ccccc3c2)/C(=C/c2ccc(OC)c(OC)c2)CC1 3672026 IWZYNCVGZRNFQG-RCCKNPSSSA-N 429.516 5.964 0 40 IKAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1C1CCCCCCCCCCC1 5328294 VJNQEQTUAGEIIM-UHFFFAOYSA-N 442.397 6.872 0 40 IKAB N[C@@H](CCCCCCCCCCCC[C@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 5759563 YITBJFFBJDRKLW-UIOOFZCWSA-N 436.640 6.088 0 40 IKAB CCCC[C@](CC)(CCCNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1 6051327 UGIRJADUVHWKDW-RUZDIDTESA-N 430.539 5.491 0 40 IKAB Cc1cc(-n2c(-c3ccc(F)cc3)nc3nc4ccccc4nc32)ccc1Br 6148279 VNWRXYUYLIVOGZ-UHFFFAOYSA-N 433.284 5.846 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8758386 KLWBNZVCVFNHHL-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB CCOc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O 8799631 JDWCNVVUMJQAIG-UHFFFAOYSA-N 449.434 5.141 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)C(c1ccccc1)c1ccccc1 8882691 RABXUKHDFZRIRC-UHFFFAOYSA-N 445.975 6.043 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1ccccn1)C3=O 8964446 LKRSIKMQNSDUCP-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB CC[C@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9273972 IFLDLYLFGNHLPU-GFCCVEGCSA-N 446.642 5.119 0 40 IKAB O=C(CCOc1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 9363732 HGFQCRHSJXLJDQ-UHFFFAOYSA-N 428.513 5.449 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1OC 9532263 ANQHBLJYVGEZNA-SFHVURJKSA-N 437.590 5.774 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3C3CC3)c3ccccc3)c[nH]c12 9548733 WXFWPAQFXRORDW-XMMPIXPASA-N 442.588 6.250 0 40 IKAB Fc1cccc(-c2nnc([C@@H](Nc3ccc(Cl)cc3)c3ccc(F)cc3Cl)o2)c1 9606650 UABTZILMFKFRTB-IBGZPJMESA-N 432.257 6.523 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1Cl 9960404 CGVKDDHZRJUPFY-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB C[C@@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc34)c3ccccc32)C[C@@H](C)O1 10459087 HAGBIXZOMRJGGB-WOJBJXKFSA-N 444.600 5.723 0 40 IKAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 12344253 ZNOWYEAAYHOXKD-OAQYLSRUSA-N 446.334 5.449 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1nnc(SCc2ccccc2Cl)s1 12375586 VQVLNNSAAQHPJY-UHFFFAOYSA-N 434.030 6.029 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCc3noc(-c4ccsc4)n3)n2CC)cc1 12522330 LDIGBRMYAUSDFR-UHFFFAOYSA-N 440.598 5.215 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc12 12598933 RQOBRQPJWSQNFO-INIZCTEOSA-N 446.551 5.542 0 40 IKAB Cc1ccccc1[C@H](C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12734009 PDQSWSDFAYPDOI-LBPRGKRZSA-N 442.363 5.104 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12849182 LNJOEHCLWFMNPO-UHFFFAOYSA-N 430.335 5.064 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1ccc2c(c1)OCCCO2 12850456 LETSLWWKMJAWJV-UHFFFAOYSA-N 443.528 5.189 0 40 IKAB Cc1cccc(C)c1NC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878213 WMBDOFLKEFXMJE-UHFFFAOYSA-N 426.973 5.434 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CN[C@@H](c2ccccc2)c2cccs2)cs1 12971365 FDGLCTITWQMPDH-DEOSSOPVSA-N 447.629 6.331 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CNC3CCCC3)sc3c2CCCC3)cc1 13511927 JKRSEWKMHUBXBC-UHFFFAOYSA-N 438.637 5.626 0 40 IKAB CN(c1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1cccs1 13677776 IFXRTWSICZRWGB-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686816 RWLDHPGBLUJXBR-QGZVFWFLSA-N 445.544 5.430 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 13810409 JIYGUEBKZPURAW-VWNXMTODSA-N 449.348 6.090 0 40 IKAB O=c1[nH]c(SCc2csc(-c3ccccc3Cl)n2)nc2sc3c(c12)CCCC3 14128700 BKECCZLJVDNKAC-UHFFFAOYSA-N 446.022 5.933 0 40 IKAB O=C(CN1CCC[C@@H]1c1cccs1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 14129748 RQWRIEHNSGOXPR-HXUWFJFHSA-N 437.634 5.454 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 14163154 MYNQWOMIFDXIAF-SANMLTNESA-N 443.978 5.876 0 40 IKAB c1cncc(-c2nc(NCC34CC5CC(CC(C5)C3)C4)c3c4c(sc3n2)CCCC4)c1 14360470 ZJDOYSGGGYZSKI-UHFFFAOYSA-N 430.621 6.260 0 40 IKAB C[C@H](NC(=O)C1CCC(C(=O)N[C@@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl 15766261 UMBUAVTUMBZSKT-VYMRPNJYSA-N 447.406 5.854 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 16262069 XMQJEEYYYRCTIU-HSZRJFAPSA-N 431.923 5.172 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4)c3)nc2c1 16610668 HHMWPKWUEHWAEJ-RKCSUWQLSA-N 430.935 7.314 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2ccccc2o1 16753978 PMAMVDHIJWOXCC-UHFFFAOYSA-N 433.485 5.259 0 40 IKAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(F)c(Cl)c2)c1 16838778 CUMVJIKERGCACC-UHFFFAOYSA-N 443.910 5.044 0 40 IKAB Cc1cc2cc(NC(=O)c3cc(C4CCN(C(=O)c5ccccc5F)CC4)no3)ccc2o1 19126559 VJYOWRYVARBBAY-UHFFFAOYSA-N 447.466 5.140 0 40 IKAB CC1(C)c2sn(-c3cc(Cl)cc(Cl)c3)c(=S)c2-c2cccc3c2N1C(=O)C3=O 19645686 OIAKCVWXSHTKKO-UHFFFAOYSA-N 447.368 6.020 0 40 IKAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NC5CCCCCCC5)C4=O)cc3)sc2c1 19890021 VFKPWYBLEXOGSV-JOCHJYFZSA-N 447.604 5.606 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139937 PYCHIBQFHFJASG-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144710 SCTXYJFOTPORFA-NSHDSACASA-N 440.710 5.805 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)CSc1ccc(Cl)cc1 20610989 GCSXEXRNYIZOEY-UHFFFAOYSA-N 443.359 5.767 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 26124152 SOKBIWISZUJXAF-UHFFFAOYSA-N 445.281 5.192 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1 27746197 BEERUPJYOJOEBJ-QFIPXVFZSA-N 434.923 5.157 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1 32116517 KGTZDGUEEXISCL-JTQLQIEISA-N 443.135 5.347 0 40 IKAB C=C[C@@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(=O)c1ccccc1)c1ccnc2ccc(OC)cc12 34422371 UOXLNYIYPISSFF-UOHDFPPJSA-N 428.532 5.038 0 40 IKAB O=C(COc1ccc(Br)cc1Br)N1CCC[C@H]1c1cccs1 36775944 JVKQPPKYNZHXBA-ZDUSSCGKSA-N 445.176 5.016 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc(-c3ccc(Cl)cc3)nn2-c2ccccn2)cc1C 41156004 PADNOGYRCLEVNM-UHFFFAOYSA-N 432.911 5.222 0 40 IKAB CC(C)Sc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087844 PYILGIDLYAPBSJ-UHFFFAOYSA-N 431.310 7.365 0 40 IKAB COc1cccc2c(Nc3cccc(C(F)(F)F)c3)cc(C(=O)N3CCSCC3)nc12 49003022 MDSDUIVBWLMGOM-UHFFFAOYSA-N 447.482 5.195 0 40 IKAB COc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1OC 49421537 OMXHZVIJLOJUNB-UHFFFAOYSA-N 448.544 5.445 0 40 IKAB Cc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\c3cccc(/C=C/C(=O)O)c3)n2)cc1 57354861 LJJANOZBDFVCBB-ZTRLJESTSA-N 449.466 5.788 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 59477511 QTZGKUHRMGVOBO-VQHVLOKHSA-N 425.328 6.636 0 40 IKAB COc1cccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349666 AELPNMUYNIZZLT-HXUWFJFHSA-N 425.532 5.187 0 40 IKAB COc1cccc(Cc2cccc(C3CCN(Cc4ccc(NC(C)=O)cc4)CC3)n2)c1 72349944 SRYCNCZJGDIUIH-UHFFFAOYSA-N 429.564 5.019 0 40 IKAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)n1 72353769 ANLRITLUZUGTIA-JOCHJYFZSA-N 446.570 5.211 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2CCC(=O)N2CCCOC(C)C)c1 85430408 NNTCIKPGDXBZCR-JOCHJYFZSA-N 436.552 5.331 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)Nc2cccc(C3SCCS3)c2)c1C(F)(F)F 89697013 NPNKQYBZZZMUQZ-UHFFFAOYSA-N 449.523 5.930 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958475 QTLPAODQSOKBQP-UHFFFAOYSA-N 430.617 6.116 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(C(F)(F)F)nc1 206896791 LEKRBBQHWNUFLM-UHFFFAOYSA-N 443.425 6.282 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 222799672 RHABRGSKHJWXDC-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223484677 OYVKIYXTRGYCAQ-RUZDIDTESA-N 436.571 5.558 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 223849779 VHILDPHJSNQNPK-PKTZIBPZSA-N 446.963 5.408 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2c(C)cccc2C(C)C)c1 224121186 UZIIGZROYDNAPI-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 224556143 MLBJWOFSTZCDCW-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224676737 FOOMRLDWLIBQET-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 224732620 WNLSWOPQTKNNME-HSZRJFAPSA-N 442.603 5.461 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 224933558 CDPSRROMONTFQU-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(C)C 225007454 JBMLCGUVYGLHBR-UHFFFAOYSA-N 441.618 6.220 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)c(I)c1 225010386 XAZQNZQZRCEVRK-UHFFFAOYSA-N 429.257 5.644 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225459497 OQZITDPXOHAGLT-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225606571 AKLSNSSDANFUKM-KRWDZBQOSA-N 435.395 5.176 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225662266 TWWJIGIHUMGGJX-DVECYGJZSA-N 426.576 5.043 0 40 IKAB 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@]34C)OCN2C1 245238224 GRMUAQMHJKQVFL-JKQNTIISSA-N 427.673 5.629 0 40 IKAB COc1ccc(C(=O)c2c3c(c4ccccn24)-c2nc4ccccc4n2C2(CCCC2)N3)cc1 257173462 OEVDHFAFBJYSKQ-UHFFFAOYSA-N 448.526 5.848 0 40 IKAB CC(C)C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257213735 CIWSVYCDRUIRAN-IQKBUIRBSA-N 442.983 6.414 0 40 IKAB CCOP(=O)(OCC)C(F)(F)[C@](Nc1ccccc1)(c1ccccc1)C(F)(F)F 306145659 MHNNLTNFAOOREE-KRWDZBQOSA-N 437.345 6.415 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 408646733 WEHZGDFRFQRPQN-JOCHJYFZSA-N 442.559 5.904 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1Cl 408649614 YOASCWRMVKKINO-SFHVURJKSA-N 434.923 5.741 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408694679 LSWOHSUPGTZUKF-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)c1 408696599 CMNYBEVDZVSMNW-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409002348 NIYZIUPQMMIRJQ-BXKMTCNYSA-N 430.504 5.866 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 409133604 MOZVIOKINHVARE-KRWDZBQOSA-N 438.980 5.432 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)c1 409191154 TXNUPOYCRTVIIY-HYARGMPZSA-N 435.932 6.468 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CCC3CCCCC3)CC2)C1 643570509 HPQXHOILPUTLRG-UHFFFAOYSA-N 440.672 5.693 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037845953 IIHWCSSEJYIJBH-INIZCTEOSA-N 437.902 5.559 0 40 IKAB CCOc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)cc1 2037931583 UAHVNKWDCAALCK-UHFFFAOYSA-N 443.591 5.848 0 40 IKAB CCCC(=O)Nc1ccc2nc(SCC(=O)Nc3c(CC)cccc3CC)sc2c1 624671 WYNPEOQJNWMFCJ-UHFFFAOYSA-N 441.622 5.891 0 40 IKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cc(OC)cc(OC)c3)c2C)cc1 667438 BMPMYSJKUUNTIS-UHFFFAOYSA-N 428.488 5.488 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1sc2nc3c(cc2c1N)C[C@@H](C)CC3 691688 YPQQENUIPVYARB-JTQLQIEISA-N 430.371 5.327 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1cccc(C(F)(F)F)c1 907305 UEAISRCBSADEDD-UHFFFAOYSA-N 445.491 6.108 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918306 OOQHCHRXDFMUNN-GFCCVEGCSA-N 444.388 5.129 0 40 IKAB COc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 925391 ZHPKECIUCGMXGB-UHFFFAOYSA-N 444.560 5.171 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)o2)c1 929477 WURRBPUSOQASQY-UHFFFAOYSA-N 441.556 5.909 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 990478 BNKYIZINMJHOGB-UHFFFAOYSA-N 442.298 5.594 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccnc1Cl 1094965 RYQSFTICRGWUIG-UHFFFAOYSA-N 434.282 6.602 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccco2)c1C 1328513 ZQGBHJOYTHAWDF-UHFFFAOYSA-N 438.940 5.528 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccnc4)ncnc32)cc1Cl 1447558 KOZDZVXAMFXTGA-UHFFFAOYSA-N 425.923 6.056 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 1819017 DUGXRKKJRBPMIB-INIZCTEOSA-N 442.650 6.253 0 40 IKAB Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C(F)(F)F)oc3c2)cc1 1959505 XGEHEALCYLRIPL-UHFFFAOYSA-N 444.836 7.020 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)c2nc(/C=C3\N(C)c4ccccc4C3(C)C)sc2Cl)cc1 2061463 ZYBOPWZPJIHJQS-AQTBWJFISA-N 445.009 5.706 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3sc4cccc(Cl)c4c3Cl)n2)cc1 2107853 CDDHPNLQVQIEBH-UHFFFAOYSA-N 433.385 7.146 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cc(C)ccc2C)cc1 2394531 VNOVJQUFKYDDGH-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB COc1ccc([C@@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(F)c2)cc1 2746626 GUKZIWZFSDCKJW-HXUWFJFHSA-N 427.273 5.368 0 40 IKAB Cc1cc(O)c(C(C)C)cc1NC(=O)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 2791775 IXAKFFYTWBXGOI-IWENEADUSA-N 428.964 5.003 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1sc2cc(F)ccc2c1Cl 3309302 MGZBCLKLKOCGKZ-UHFFFAOYSA-N 447.959 6.736 0 40 IKAB O[C@H](CN1CCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 5394920 WEOJIUMBVVUGJJ-KCWPFWIISA-N 435.656 5.229 0 40 IKAB CC(C)Oc1ccc([C@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 5501237 HWPUVKJLWUXEAN-AFMDSPMNSA-N 425.975 7.139 0 40 IKAB CO[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@H]1C 8242011 XRJBEZUZIKBOEI-MYRUYQKMSA-N 442.772 8.903 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(N2C(=O)CCC2=O)c1 8766636 SXMAZUBSSDBCLK-UHFFFAOYSA-N 446.315 5.023 0 40 IKAB S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(Cc2ccccc2)n1-c1ccccc1 8815712 YZOMUNVLYWOKIS-HSZRJFAPSA-N 426.589 5.441 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)c1 8828160 QZUKJRQITFRACY-QHCPKHFHSA-N 431.539 6.067 0 40 IKAB COc1c(C(=O)Nc2nc3ccc(Cl)cc3s2)cc2ccccc2c1Br 8832031 PNZWFKRNVPTNLT-UHFFFAOYSA-N 447.741 6.126 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc(OCc4ccccc4)c3)n2)cc1OC 8832059 IJXRLXIWKUVUJX-UHFFFAOYSA-N 446.528 5.659 0 40 IKAB CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 9086152 DPRJHEKEVFEADQ-JOCHJYFZSA-N 433.552 5.448 0 40 IKAB CC(C)N(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 9190079 VJLFNDHBHZUWIX-UHFFFAOYSA-N 442.544 6.370 0 40 IKAB COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2-c2ccccc2)cc1 9289313 RAGTXGGQGAGLSA-UHFFFAOYSA-N 428.561 5.095 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 9310843 WUEJOYYEXYZXNN-LMSSTIIKSA-N 440.587 7.196 0 40 IKAB O=C(COc1ccc(NC(=O)c2ccccc2Cl)cc1)Nc1cccc(C(F)(F)F)c1 9317943 DRXPOJKZZDGFFV-UHFFFAOYSA-N 448.828 5.629 0 40 IKAB CC(C)OCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355549 KHAWXWFKRZACQE-HHHXNRCGSA-N 442.534 6.334 0 40 IKAB Cc1cccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)c1C 9370896 MAMPNNHMIHQBAG-UHFFFAOYSA-N 439.540 6.675 0 40 IKAB COc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 9391125 WQAWZXGWEGXCDR-FQEVSTJZSA-N 432.376 5.606 0 40 IKAB Cc1nnc2sc(-c3ccc(CNC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nn12 9934572 RAJSTXNBSHBLNE-UHFFFAOYSA-N 449.923 5.005 0 40 IKAB COc1ccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2C2CCCCC2)cc1OC 10093991 AVMMLOXFNWOKRA-HXUWFJFHSA-N 439.581 5.293 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC 12062899 FYUGESLOHBVHLD-QHCPKHFHSA-N 435.520 5.244 0 40 IKAB Cc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(N(C)C)cc3)=NN2)cc1 12487063 YDGWHOLKDGLTDQ-UHFFFAOYSA-N 433.353 5.257 0 40 IKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 12646009 DSPSMOGQEPTMLA-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)c2C)cc1 12762736 RQZNTEWLWFGXFA-UHFFFAOYSA-N 447.542 5.903 0 40 IKAB O=C(/C=C/c1nc2ccccc2o1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 12908122 DEDOHLHHATZEAZ-VSFTXHECSA-N 431.419 5.331 0 40 IKAB C/C=C/c1ccc(OCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(OC)c1 13005748 MOZVOELSZGBFJJ-FPYGCLRLSA-N 431.492 5.390 0 40 IKAB COc1ccc(CN2C(=O)/C(=C\Nc3cc(C)nc4ccccc34)c3ccccc3C2=O)cc1 13134936 CQMDAVJDMZWSCJ-JLPGSUDCSA-N 449.510 5.187 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(Br)c2)n1CC1CCCCC1 13514388 LDYBVYXZJZYONQ-UHFFFAOYSA-N 443.410 6.032 0 40 IKAB Brc1cncc(-c2nnc3sc(-c4ccc(-c5ccccc5)cc4)nn23)c1 13723854 QQJLYVJYPBAENL-UHFFFAOYSA-N 434.322 5.344 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3O)oc2c1 14270266 HZMJXVXZGWLAGJ-UHFFFAOYSA-N 443.484 5.382 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cccc5ccccc45)ccc3o2)c(Cl)c1 14272624 VFEQEJCMRAEXRL-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB Cc1c(C(=O)NCc2csc(-c3ccccc3)n2)oc2ccc(Br)cc12 15832445 AMPYBHLAJUYUPS-UHFFFAOYSA-N 427.323 5.557 0 40 IKAB N[C@H](Sc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2)c1cccc2ccccc12 15840481 WRONZAVJTBZZHL-JOCHJYFZSA-N 433.964 5.277 0 40 IKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 16736041 DNSJRRPABIIHEX-DEOSSOPVSA-N 440.499 5.507 0 40 IKAB COc1ccc(C(=O)CSc2nnc(COc3ccc(C)cc3)n2-c2ccccc2)cc1 16789310 OOKIMHGHMDFACX-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)C(=O)Nc1c(F)cccc1F 16834797 CZJCEWHNZUMBQJ-OAHLLOKOSA-N 435.499 6.141 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3Cc3ccccc3)n2)c1 16843226 DHESHRWASSQCAA-UHFFFAOYSA-N 446.557 5.157 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4ccc(Cl)cc4s3)o2)cc1Cl 17096351 NRNFXRVLJFFMHZ-RMKNXTFCSA-N 429.328 6.823 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)nc2c1 17096948 RNCDEJUIHQPGEU-UHFFFAOYSA-N 430.504 6.062 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 17103187 UZAZUCJNRQUDPT-MRXNPFEDSA-N 439.353 6.340 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1cc(Cl)sc1Cl 18094996 YTBCPYUCHJCPGA-UHFFFAOYSA-N 425.259 5.175 0 40 IKAB CC[C@@H](CNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1)c1ccccc1 18153238 IROGOTBCMVDFAR-INIZCTEOSA-N 447.535 5.111 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 20569562 GJWZTGAPAJNUKE-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072536 KXVFVRMRBKWRTG-UHFFFAOYSA-N 426.225 6.403 0 40 IKAB CCc1ccccc1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 22275545 GFURULIMRYEGPU-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCCCCC[C@@H](C)N/C=C1/C(=O)N(c2ccc(OC)c(OC)c2)C(=O)c2ccccc21 23409108 RIVGTJOZSKQUIM-YMNYDYPGSA-N 436.552 5.180 0 40 IKAB C[C@H](NC(=O)CSc1nnc(NCc2ccc(F)cc2)s1)c1cc2ccccc2o1 23957304 VKPPUDSFMDJSMN-ZDUSSCGKSA-N 442.541 5.005 0 40 IKAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N1CC=C(c2c[nH]c3ncccc23)CC1 25250180 NVHFZWVTAAVMAR-BQYQJAHWSA-N 430.508 5.155 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)OCc3cc4ccccc4nc3Cl)c12 32869264 YUKZNZAJZQVLMZ-UHFFFAOYSA-N 435.892 5.818 0 40 IKAB CCCCCCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1 33577910 VGKKMHHOVDFQDO-FXBPSFAMSA-N 444.575 6.268 0 40 IKAB O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4ccccc4c3)=NN12 35391992 UZPDVSAKHDABOA-IGKIAQTJSA-N 438.914 6.246 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(Cl)c(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 36611543 VNBWAKZIPMFLQT-UHFFFAOYSA-N 441.789 7.842 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 44087800 JZSDVBPTWVFBQH-UHFFFAOYSA-N 433.499 5.483 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 44901626 UABBAWQQANUAMB-MHWRWJLKSA-N 443.543 5.884 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 48332805 LVNUNUFKMVYPBU-YADHBBJMSA-N 442.588 5.250 0 40 IKAB CCOC(=O)C1=C(C)N(Cc2ccc(Cl)cc2Cl)C(=S)N[C@@H]1c1ccccc1 59596926 UNQAABGYZZSZBL-LJQANCHMSA-N 435.376 5.262 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnc(C3CCCCC3)o2)cs1 70011428 XTGUQJDZISKYGR-UHFFFAOYSA-N 449.001 6.204 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 72215378 RIWXLYCUQDGJFH-OAQYLSRUSA-N 437.540 5.459 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)[C@H]1CCCc2ccccc21 72295967 UQUJOQNMHOPIJU-QFIPXVFZSA-N 439.534 6.544 0 40 IKAB CCCSc1nsc(NC(=O)C23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 103117964 IRRDMXUFVMKYER-PQJGELLGSA-N 427.639 5.825 0 40 IKAB Cc1ccc(NC(=O)CC23C[C@@H]4C[C@H](CC(Br)(C4)C2)C3)c(Br)c1 104862298 RZHLRKJTNLVUPW-IHWOHKJGSA-N 441.207 5.820 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@@]21C 118931679 NPYXBHZQVNRAOF-JZQQPFIGSA-N 430.717 7.405 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccccc2SCc2ccccc2)c2ccccc2O1 223299215 CFLVSQBUGVSFFE-QHCPKHFHSA-N 431.601 6.791 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223651357 AHVCENCDOFXAAN-HHHXNRCGSA-N 444.619 5.805 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223704918 ODGICDSXVVUDIH-XMMPIXPASA-N 440.653 5.509 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 223770785 IKSAEEODPZJUOL-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223809022 CHOQVKUQPWGREP-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)c1 223949061 QZJFKEKGPSEZLY-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C 224113264 UBAMVBMPAFJNGE-LJQANCHMSA-N 447.044 5.071 0 40 IKAB COc1cc2c(cc1S(=O)(=O)N[C@@H]1CC3(CCCCC3)Oc3ccccc31)CCCC2 224216292 RAEGXVRELGIBCG-OAQYLSRUSA-N 441.593 5.079 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 224242525 WXAXGBWFTIPJAE-DEOSSOPVSA-N 438.637 5.262 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224537698 DFXLVFZRPXNXJJ-UHFFFAOYSA-N 425.787 5.218 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 224575048 KKXOZZXCJIMPQJ-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224865801 FEYGUVDSBJFYMJ-WOJBJXKFSA-N 426.973 5.174 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)c(Cl)c1 225006758 URPMIFOBZXPIIK-UHFFFAOYSA-N 444.796 6.351 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225054347 QJSBFNJCHUYQOV-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225164943 YYVPWAMZBWZFJQ-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225256062 ARSMUSGBWRFPST-UHFFFAOYSA-N 439.256 5.087 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225299673 VYAKUPYWQSNJOY-ZWKOTPCHSA-N 449.422 5.566 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225307068 WWUQGPDGSDVHRY-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225361067 YLRXXCIVPFAFRA-FGZHOGPDSA-N 435.618 5.950 0 40 IKAB CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225381125 YPNOWQLQNZNKSF-UHFFFAOYSA-N 432.351 5.590 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225557078 XZXOZEZISFMDAR-NZQKXSOJSA-N 426.626 5.118 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)Cc3ccccc3C2)cc1 225933881 BGVWQSLNVYLSDE-UHFFFAOYSA-N 449.594 6.858 0 40 IKAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257236737 HDNMFUYENKPRAT-QFIPXVFZSA-N 431.923 5.834 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCC2)c1 260818159 WAJXKRLOBJUVNC-QHCPKHFHSA-N 434.624 5.946 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408647368 XDBYVQOAPDLVFL-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)cc1 408695821 STAPPQOJBYEOAI-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2ccc(Cl)cc2)cc1 408698147 LMGAEVYLFCCZRL-UHFFFAOYSA-N 446.938 5.801 0 40 IKAB O=C(O)c1ccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1 408808814 GFTPJOUQOOESQL-STZFKDTASA-N 431.469 5.205 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 409083393 AHNRGLNUFXYQHY-UHFFFAOYSA-N 449.407 5.563 0 40 IKAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)n1-c1ccc(Cl)cc1 409096787 FAEYEKJDMZXUSI-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB CCc1ccccc1NCc1cc(Br)c(OCc2ccc(F)cc2)c(OC)c1 409115436 JCDPTVCYIGDQQV-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1CC1CCCCC1 409136491 UVPVPNYMNXVUIT-HYARGMPZSA-N 441.980 6.536 0 40 IKAB CCCNC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 585294459 FXDPGNQBYCQYQW-JTJYXVOQSA-N 429.988 5.762 0 40 IKAB COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 878435 UUXRHXPFRKHPDF-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2CC)cc1 903546 KTPSNMWUGVDYNR-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccco2)cc1 1238267 SKAYGKGVZBMPNJ-UHFFFAOYSA-N 434.923 5.949 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc12 1341117 NAUFPQVHBCBBEO-UHFFFAOYSA-N 436.562 5.259 0 40 IKAB COc1ccccc1/C=C/[C@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C(C)C)cc1 1378796 QISNXPXDSCEICY-GHUONELISA-N 446.591 5.456 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1nc2ncccc2o1 1408524 APHTZJJNRAGSCM-UHFFFAOYSA-N 444.560 5.623 0 40 IKAB COC(=O)C1=CN(Cc2ccc(Cl)cc2)C=C(C(=O)OC)C1c1ccc(C(C)C)cc1 1457740 BVTNZPXJNDGKCN-UHFFFAOYSA-N 439.939 5.177 0 40 IKAB COc1ccc(NC(=O)c2cccc(NC(=O)COc3ccc(Cl)cc3Cl)c2)cc1 2069719 WLULYXGAMDNGCK-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(C)cc3)c3ccccc32)cc1 2250619 SDNFSTWELAKVMF-RFEICPCNSA-N 425.572 6.538 0 40 IKAB COc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccco4)ccc3c2=O)c1 2407193 OGUVLGLKSVHSOX-UHFFFAOYSA-N 446.333 5.425 0 40 IKAB biogenic Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 2415816 UOGQCQOPXUFDSI-OAQYLSRUSA-N 448.906 5.790 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccc(F)cc2)n1Cc1ccco1)CCCC3 2443184 UVZLOYPDBMHSAX-UHFFFAOYSA-N 426.538 5.410 0 40 IKAB CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1 2698727 NWGYQBHIXLUNBM-UHFFFAOYSA-N 435.932 5.514 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1cccc3ccccc13)Nc1ccccc1-2 2742050 UAUAYLLYHBVPJG-QHCPKHFHSA-N 428.561 6.477 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccccc1 3217682 UBBLXLPCQPBDJG-UHFFFAOYSA-N 445.515 5.019 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccc(C(C)C)cc3)cc12 3314641 YHVRFPFKKPYFMK-UHFFFAOYSA-N 433.533 5.314 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3c(C)cccc3C)c3ccccc3n2)cc1 3515801 ISLZDYVFEWHWMU-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)/C(=C/c3ccccc3)c3ccccc3)s2)cc1 3633884 JOLDNTJGDFQJAE-CJLVFECKSA-N 427.529 5.317 0 40 IKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 3658781 LXPOJEAKUGCFTC-QGZVFWFLSA-N 447.560 5.530 0 40 IKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1OCC 4783917 KXIMFFUCPHXCKB-QVKFZJNVSA-N 428.598 6.125 0 40 IKAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc(C(C)C)cc1 8023341 QTYFIGCUPBHXPX-OAQYLSRUSA-N 427.566 5.265 0 40 IKAB CCCCN(C)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 8450978 WTWBXCZHBDEENG-UHFFFAOYSA-N 432.593 5.994 0 40 IKAB COc1cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)cc(Br)c1O 8453000 XKGPDBPRCMDFDA-UHFFFAOYSA-N 447.332 6.306 0 40 IKAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1 8453333 SIFXYGAKYOWVJM-LBPRGKRZSA-N 449.142 5.771 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2OC32CCN(Cc3ccccc3)CC2)o1 8717719 QLXBVYHRIULSRL-QHCPKHFHSA-N 447.966 5.777 0 40 IKAB CCc1ccc(CC)c(S(=O)(=O)Nc2cc3c(C(C)=O)c(C)oc3c3ccccc23)c1 8871943 JIBWPBRCGMEESN-UHFFFAOYSA-N 435.545 6.023 0 40 IKAB O=C(OCc1csc(-c2ccccc2Cl)n1)C(O)(c1ccccc1)c1ccccc1 8880381 SOBGEEWWQFJMAV-UHFFFAOYSA-N 435.932 5.443 0 40 IKAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2c(C)[nH]c3ccccc23)cc1 8922824 OZVHPABLVUZCED-QFIPXVFZSA-N 445.613 6.316 0 40 IKAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 9063285 RQHNMEHXSXDWPY-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(CSc2ccccc2)s1 9095475 OTCDOOQCSRHMJY-UHFFFAOYSA-N 426.350 5.155 0 40 IKAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 9303980 PHMIWDLSHYPIKQ-UHFFFAOYSA-N 448.475 5.600 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cc(OC)ccc2OC)[nH]c2ccccc12 9355517 UXCOWMVEVJAVGX-HHHXNRCGSA-N 440.543 6.197 0 40 IKAB Cc1sc2nc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)[nH]c(=O)c2c1C 9728774 XCHOQZIQKQYHDN-SECBINFHSA-N 444.607 5.130 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 9911638 MZZKBHUQTFHXGB-STQMWFEESA-N 436.364 5.325 0 40 IKAB COCc1cccc(C(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)c1 10522838 VYSXUKBSLKZDNM-UHFFFAOYSA-N 443.528 5.461 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(Oc4ccccc4)cc3)sc2c1 12140916 XMOUFROUTKSZHI-UHFFFAOYSA-N 445.588 5.996 0 40 IKAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@@H]1c1ccc(Br)cc1 12344131 NTXVVHGFKVVYIV-IBGZPJMESA-N 432.268 5.166 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 12918902 HFIKQWSULIGWIZ-HXUWFJFHSA-N 433.489 5.313 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(OCc2ccccc2)cc1 13113051 ZMXULJXAAZBIEN-QGZVFWFLSA-N 430.533 5.170 0 40 IKAB O=C(COc1ccc2c(c1)CCC2)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 13148215 SYIBKTKNYNGSTE-HHHXNRCGSA-N 425.484 5.203 0 40 IKAB COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 13518293 QZAJWAVEPFKMJL-NRFANRHFSA-N 425.488 5.031 0 40 IKAB CCCCN(CC)c1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13768546 JEBKFTFONSZVJG-UHFFFAOYSA-N 448.661 6.744 0 40 IKAB Clc1ccc(C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 15188056 DKQXIYIPJAWZTF-NRFANRHFSA-N 436.169 7.656 0 40 IKAB COc1cc(/C=C2\CCn3c2nc2cc(C(F)(F)F)ccc2c3=O)ccc1OCC(C)C 15544718 PCZCRWXYDDWFEZ-MHWRWJLKSA-N 444.453 5.403 0 40 IKAB COc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1OC 16070067 ULJOOWPICAMKPZ-LJQANCHMSA-N 434.923 5.400 0 40 IKAB COc1cc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1C 16778772 MFASIAOHSCOZTO-QFIPXVFZSA-N 449.890 5.410 0 40 IKAB CN1CCc2c(sc(NC(=O)c3ccc(N(C)C)cc3)c2-c2nc3ccccc3s2)C1 16837191 SSRDDZXNLAQDQJ-UHFFFAOYSA-N 448.617 5.331 0 40 IKAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)oc4C)ccn3n2)cc1 16840081 AJHFVYIDEZLAOL-UHFFFAOYSA-N 444.922 5.391 0 40 IKAB O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294046 GRQAIGYUAOOWMN-QFIPXVFZSA-N 431.515 5.275 0 40 IKAB O=C(N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1)C(F)(F)F 19336993 RYSGRSXCGVGUMD-UHFFFAOYSA-N 446.860 5.127 0 40 IKAB CC(C)OCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)o1 19450472 LJFQMYGQIZNSNF-AWEZNQCLSA-N 435.446 5.120 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(C)c(C)c2)cc1 19947003 BTXYOCRLOIZEPG-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccccc2)S3)c1 20070073 UQISQRDHFTVBHR-QHCPKHFHSA-N 446.963 5.918 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20141357 MFFVAVHAZDPRRS-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB Cc1ccc([C@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2)cc1 20453325 KCEZFRCUJDUVQZ-HSZRJFAPSA-N 440.406 5.897 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4Cl)cc3n2)cc1 20611254 UYAAMKNCDNBCPI-UHFFFAOYSA-N 448.954 5.579 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cccc(Cl)c1 21580080 HEDVRGOLKAEQSQ-UHFFFAOYSA-N 436.924 5.019 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cc(C)ccc1C(C)C 21580824 VZOMGSLLFWLSJJ-UHFFFAOYSA-N 429.520 5.688 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504804 PPRNWSRCONYAKE-UHFFFAOYSA-N 440.330 6.230 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 23384554 DFYNGAKYMDADLG-MHZLTWQESA-N 437.543 5.125 0 40 IKAB FC(F)(F)c1cnc(N2CCN(c3nc(C(F)(F)F)ccc3Cl)CC2)c(Cl)c1 25177792 YEFSHKPXKDUWFI-UHFFFAOYSA-N 445.194 5.148 0 40 IKAB CCOc1ccccc1NC(=O)c1nc(SCc2ccccc2Cl)ncc1Cl 27664158 KGYGBCAMHPBQOW-UHFFFAOYSA-N 434.348 5.727 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@@H](c1ccc(F)cc1)C1CCCC1 32935122 ACGOQXJLRCGHNV-JOCHJYFZSA-N 427.907 5.509 0 40 IKAB Clc1ccc(-c2nnc(SCCOc3ccccc3Cl)n2-c2ccccc2)cc1 33676685 PHQXQQSQHFMTFI-UHFFFAOYSA-N 442.371 6.412 0 40 IKAB CCn1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(CC(C)C)cc2)n1 36615244 FLMCYJOYRPIVFZ-UHFFFAOYSA-N 439.625 5.620 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1(c2ccc(Cl)cc2)CC1 36784683 OTDQYXWWFQOJNE-UHFFFAOYSA-N 430.733 5.018 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 39753065 ITARPBDWAZCUHE-UHFFFAOYSA-N 430.617 6.138 0 40 IKAB Cc1c([C@@H](C)NC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)oc2ccccc12 58167466 NYHZDLFVEBSRDM-JPYJTQIMSA-N 427.504 5.481 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c1 72230017 GTEMWPGTLCZQIZ-HSZRJFAPSA-N 425.912 5.471 0 40 IKAB Cc1c(C(=O)N(Cc2ccc(Cl)c(Cl)c2)Cc2ccccn2)[nH]c2c1C(=O)CCC2 84066590 HFOUJTYLVXXBGT-UHFFFAOYSA-N 442.346 5.387 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)COc1ccc(Cl)cc1 84224827 PTSNGBHRUPPISU-UHFFFAOYSA-N 449.913 6.157 0 40 IKAB CC[C@@H](NC(=O)c1cc(SC)ccc1C)c1noc(-c2cccc(Br)c2)n1 84734904 ATPUZBOTRZSWFU-QGZVFWFLSA-N 446.370 5.411 0 40 IKAB Cc1csc(Sc2ccc(NC(=O)c3ccc(C4SCCS4)cc3)cc2)n1 89708845 XVGBXHRLIJEJQN-UHFFFAOYSA-N 430.645 6.334 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 108934877 STUOEBUPGQQLFR-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cccc(Br)c1)[C@@H]2O 118916294 NKLBOHZLKULONG-FIMHJPORSA-N 443.469 7.236 0 40 IKAB biogenic CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222901928 JXQNUTLMXFVIRB-QFIPXVFZSA-N 447.044 5.197 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222986545 FPKPPHNTVGZGKC-HHHXNRCGSA-N 442.603 5.395 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)cc2F)CC1 223098422 JBHKJWYRUSFYPN-UHFFFAOYSA-N 427.372 5.023 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H](C)c1cc(C(C)C)c(OC)cc1C 223372345 LRQADXWTFLIYQY-YADARESESA-N 425.613 6.459 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223899244 GHNPGIRHWCLWDG-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 223967822 FRCMVKXSRATWDG-HSZRJFAPSA-N 440.540 5.144 0 40 IKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 223983508 BLYPIKOMTKKYLS-GOSISDBHSA-N 426.605 5.255 0 40 IKAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(C)cc1 224033944 BUQUBPXFXSVSBQ-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224113835 CRWCXAUJXKHFKM-JOCHJYFZSA-N 445.028 5.298 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(-c2ccccc2)cc1 224216520 SLNAXTQJCBBXGQ-UHFFFAOYSA-N 443.930 6.847 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224504446 ODAHKHHDLVBKBJ-NRFANRHFSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cc(C)cc(C)c1 224533246 LHHGNFROUWJCEA-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962257 KQRSHHVLKWUFNI-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225051691 XCMWTTSYXLKFQP-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 225206359 HGOFNUGAFBPCJH-OALUTQOASA-N 445.003 5.174 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccc(Cl)c(Cl)c1 225325758 JGTZKUDXXKDXCG-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225460703 BDRGTTBCXTVRKR-OFNKIYASSA-N 426.626 5.199 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(Cl)c(Cl)c1 225819137 BPYAJDGQDNXXHV-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 226348999 XTAZCJHIVSXVEP-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(OC)ccc4OC)C3)c2)cc1 257208716 BNJKMQKOLTWNGE-FQEVSTJZSA-N 446.547 5.103 0 40 IKAB CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(F)c3)N[C@H]2c2ccc(Cl)cc2)n1 257222202 DSIYCVIPDREGPU-HJNYFJLDSA-N 440.950 5.256 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4csc5ccccc45)CC3)o2)cn1 257290512 QDGDWWGTCHKSKR-QAQDUYKDSA-N 432.549 5.359 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 408557713 OKSGROKQPXEGFE-UHFFFAOYSA-N 442.968 5.310 0 40 IKAB CCCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccccc1 408564040 XEWHINRNOUMZJD-ZIADKAODSA-N 440.612 6.448 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccccc2I)cc1 408581444 WUYQBGSQOFEBCK-UHFFFAOYSA-N 448.329 5.538 0 40 IKAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 408604085 DIASFIYXFPKZTA-AREMUKBSSA-N 442.559 5.026 0 40 IKAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408641035 JGNGYCVZSQOWED-LJQANCHMSA-N 430.504 5.096 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408788314 DQLNKTWYXYDAOE-MHZLTWQESA-N 438.552 5.866 0 40 IKAB COC(=O)c1ccc(Cl)c(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)c1 408815794 SERZBOQQXPMDIG-UNOMPAQXSA-N 439.876 5.628 0 40 IKAB COc1ccc(Br)c2c1-c1nc(Nc3ccc(C)c(Cl)c3)sc1CC2 408884616 XWKZHZCOUFEWDF-UHFFFAOYSA-N 435.774 6.385 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408975382 AWOQTMCKMDKHIC-UHFFFAOYSA-N 432.524 6.486 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cc(C)cc(C)c2)cc1 409028559 OSJYLZJEYZNVPH-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409172804 LORVOLFIKQEVNS-ODLFYWEKSA-N 444.940 5.050 0 40 IKAB Cc1sc(NC(=O)CCC(=O)c2ccc(Br)cc2)nc1-c1ccc(F)cc1 409195392 IGUYYXOVEGKXKS-UHFFFAOYSA-N 447.329 5.622 0 40 IKAB COc1cc(CNc2cccc(C)c2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409257484 POYFXRCYKPEGSX-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCc1cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)sc1-c1ccccc1 585152293 LMKGGNYUIAFFIO-UHFFFAOYSA-N 440.593 7.507 0 40 IKAB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc5ccccc5c4)cc3c2C1 944094 TXXNOZXSYMJCNG-LJQANCHMSA-N 433.573 6.538 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)cc1 991941 YYGHDFIKAKVWFF-UHFFFAOYSA-N 432.501 5.391 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2Nc2ccc(C)cc2C)cc1 1078708 LAJDXOIYMJJISO-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)NC3CCCCC3)cc2c1 1327678 QLOOOJRFDWMWQS-UHFFFAOYSA-N 447.579 5.280 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1cccs1 1338676 VPIKMHJUJGPOAB-JOCHJYFZSA-N 435.572 5.421 0 40 IKAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(C)=O)c(C)s1 1365599 FWQCEQNAQGXSKW-CQSZACIVSA-N 435.549 5.067 0 40 IKAB COc1ccc(-c2nc(C(=O)NCc3ccccc3)cc3c2[nH]c2ccccc23)cc1OC 2122688 PMIJNIKPGPIYNS-UHFFFAOYSA-N 437.499 5.330 0 40 IKAB biogenic CCc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 2391448 FOFXZXXFJVYFJG-NDEPHWFRSA-N 448.006 6.803 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(Cl)cc1 2798557 FPUCYSMVTOHUAU-GFCCVEGCSA-N 437.874 5.935 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)Nc3ccc(Cl)cc3)cc12 3170188 BBQCLROAAVIXJD-UHFFFAOYSA-N 435.863 6.541 0 40 IKAB Cc1ccc(S[C@H](C)/C=C\NNC2=NN=C(c3ccccc3)[C@@H](c3ccccc3)N2)cc1 5809040 XVFLOSRILJBFTA-ACMHFNNGSA-N 441.604 5.188 0 40 IKAB CSc1ccc([C@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 6182217 XTFDBMYVRUQQNX-HSZRJFAPSA-N 443.597 6.417 0 40 IKAB CC[C@@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 7719301 UFILVDRYUJMLGM-CRICUBBOSA-N 425.573 5.093 0 40 IKAB CC(C)NC(=O)c1sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c2c1N 8451166 GRZOCUAPXPDKHN-UHFFFAOYSA-N 437.531 5.503 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nccn2-c2ccc(C)cc2C)cs1 8707249 RWVMRNFRNMVSCB-UHFFFAOYSA-N 448.617 6.231 0 40 IKAB O=C(c1ccc(Cl)cc1)c1ccc(Cc2nc(-c3ccc(Cl)cc3)cs2)s1 8762191 RXGUPOOIKZZKKF-UHFFFAOYSA-N 430.381 7.000 0 40 IKAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ncccn12)c1ccc(Br)cc1 8845486 SJQUGGXDZMEHRP-UHFFFAOYSA-N 427.689 5.065 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1)N[C@@H](c1ccc(F)cc1)c1cccs1 9199645 DIFBNTVSIDKOEL-QFIPXVFZSA-N 437.565 5.130 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1Oc1ccccc1 9354677 VZJFAVDKKWOGRQ-UHFFFAOYSA-N 438.508 6.714 0 40 IKAB COc1ccc([C@@H]2NC(=S)C3=C(Oc4ccc(F)cc4C3)N2c2cccc(F)c2)cc1 9673653 MBCUEBNEIKMVCT-JOCHJYFZSA-N 436.483 5.256 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4ccc(F)cc4)C3=O)c3ccccc32)cc1 9846675 XXCRHLSKZXZOCX-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB biogenic CC(C)C(=O)N1CCCc2cc(-c3csc(NC(=O)c4ccc(F)cc4F)n3)ccc21 12220058 RHUOKPDGFMMQHL-UHFFFAOYSA-N 441.503 5.276 0 40 IKAB CCCCN[C@@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 12420150 QFPROSYDZYVJDI-QHCPKHFHSA-N 443.616 6.645 0 40 IKAB CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)cc1 12437065 UHTUCRATYFVMHX-PXJZQJOASA-N 432.567 7.380 0 40 IKAB C[C@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 12557985 AELIIVQRFVIIDR-KGLIPLIRSA-N 432.952 5.046 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 12656470 PMBSWZWCNKVWLV-VBIIMOGYSA-N 442.684 7.139 0 40 IKAB biogenic CCN(CC)S(=O)(=O)c1ccc(Oc2ccc(Cl)cc2)c(NC(=O)c2ccco2)c1 12754409 YWYMGMCXAZVZPG-UHFFFAOYSA-N 448.928 5.008 0 40 IKAB CC(C)c1ccc2c(c1)C(c1cccc(C(F)(F)F)c1)=NNC(c1ccc(F)cc1)=N2 12881015 KSDXLPYAWJOLKE-UHFFFAOYSA-N 425.429 6.402 0 40 IKAB CCOc1ccc2oc(C(=O)Nc3ccnn3Cc3ccc(Cl)cc3Cl)c(C)c2c1 12931022 ANENXJDUDUUTPU-UHFFFAOYSA-N 444.318 5.944 0 40 IKAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1cc(Cl)c(Cl)cc1Cl 13056908 ITCIPNMTKXGIPI-UHFFFAOYSA-N 433.166 5.061 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1c[nH]c2ccccc12 13108906 FIXQNLYYXAHKKI-UHFFFAOYSA-N 430.558 5.511 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc2c(c1)CCCC2 13115121 OICWMGRZGOIHPA-OAHLLOKOSA-N 432.549 5.066 0 40 IKAB Clc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c(Cl)c1 13597073 PAKSOCYZOCIWFS-UHFFFAOYSA-N 434.153 8.024 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1cccc(C)c1 13925400 CVEAOONEPSIHNQ-HAHDFKILSA-N 427.500 5.626 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 14154617 QBYFWZVDEPDQFM-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 14427241 WTYMCGRNIBAQOD-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB O=C(c1ccccc1)[C@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 15379139 MMORBMNHIGBMFN-OAQYLSRUSA-N 432.570 5.580 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1CC(F)(F)F 16050388 ZIWDTSWJMDFIDA-UHFFFAOYSA-N 432.442 5.067 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)C(c1ccccc1)c1ccccc1 16477696 WEUZJAIHBIBTRR-UHFFFAOYSA-N 437.977 5.595 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cccc(Cl)c1 16840613 YOJQBQMOBUGRBS-UHFFFAOYSA-N 444.947 5.934 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 17098353 HAAKBMXAVCRGOA-UHFFFAOYSA-N 433.364 5.051 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)no3)cc2N1 19520620 PKLDMBMOJGUOCY-MZMPZRCHSA-N 439.482 5.060 0 40 IKAB O=C(c1ccc(F)cc1)N1CCO[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19687731 AGHIGFRJYIEZOG-JOCHJYFZSA-N 444.428 5.044 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 21580400 HDWUWSNINFSABJ-UHFFFAOYSA-N 449.510 6.070 0 40 IKAB Cc1noc([C@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2-c2cccc(C)c2C)n1 22831246 CZMOEFVTENRSIH-AWEZNQCLSA-N 426.567 5.226 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cc(Cl)sc3Cl)c(O)n2)cc1C 24747132 VICXRMXINAIUDT-UHFFFAOYSA-N 440.377 5.513 0 40 IKAB C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2[nH]1)c1ccc2c(c1)OCCO2 24747517 OKGXKLNFUIWVPL-MRXNPFEDSA-N 445.544 5.117 0 40 IKAB CC(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 28222693 DXQRKVMBLWBPLG-MHZLTWQESA-N 437.543 5.865 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)n2)cc1 32623855 YJTRJRDSTXCWNG-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 32685799 ZNQIQAJODMKBJR-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB C[C@@H]1CCc2c(sc3nc(S[C@H](C)c4nnc(-c5cccs5)o4)nc(N)c23)C1 32741642 LJIHNCQMHZTZJI-NXEZZACHSA-N 429.596 5.363 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N(C)Cc2nc3ccccc3n2C(F)F)cc1OC 32753508 NHYWAZZCCMCPIT-UHFFFAOYSA-N 437.874 5.154 0 40 IKAB COc1cc2c(Oc3ccc4[nH]c(C)cc4c3F)ncnc2cc1OCc1ccccc1 34323887 FAUIFGUQBUATLA-UHFFFAOYSA-N 429.451 5.939 0 40 IKAB Cc1cc(C)nc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(-c4ccccc4)c23)n1 36618328 RHQBBFPMCBXEQK-UHFFFAOYSA-N 439.450 5.355 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccco2)cc1Br 38615731 VJEISMLERSIGLX-UHFFFAOYSA-N 440.249 5.280 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 38752774 LTHDLUARABGEPQ-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB Cc1cc2occ(CC(=O)Nc3ccc(N4CCOCC4)cc3C(F)(F)F)c2cc1C 40145435 ZHCIFZIHXRMDID-UHFFFAOYSA-N 432.442 5.086 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4cccc(Cl)c4)cc3)cc(=O)n2o1 41089706 NYQQEZXYMKYNIU-UHFFFAOYSA-N 440.912 5.186 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)C1CCCCCCCCCCC1)N(C)CC3)OCO2 49586663 URAXPBQLFVGQED-NRFANRHFSA-N 429.601 5.833 0 40 IKAB biogenic CCOc1ccc(Cl)c(C(=O)Nc2ccc(S[C@H](C)CC)cc2C(F)(F)F)n1 60306127 QRVPRXZZWSSKQM-LLVKDONJSA-N 432.895 6.295 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 95471189 NCDINXQTTXFSIO-UHFFFAOYSA-N 431.433 5.631 0 40 IKAB Cc1cccn2c(=O)c3cc(C(=O)N(CC4CCCCC4)c4ccccc4)sc3nc12 96347314 OQVVFSORZVTSSG-UHFFFAOYSA-N 431.561 5.445 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072977 XQOJUBPCZIZYTD-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 101192555 USUKRHRKFGRIRR-KZVDOYCCSA-N 430.858 5.193 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 102691139 OVLGPJFWFLOUQN-HOYKHHGWSA-N 444.478 5.125 0 40 IKAB O=C(c1cccs1)[C@@H]1C(c2ccc(Cl)cc2Cl)=NO[C@]12C(=O)Nc1ccccc12 102898465 RISIPFOKZDLDST-UWJYYQICSA-N 443.311 5.136 0 40 IKAB Clc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)c(Cl)c1 107027361 XTALOQJRAYFBFX-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cccc(OCc3ccccc3Cl)c1)CC(C)(C)O2 219846737 QSYFZEPLGWJAIC-QHCPKHFHSA-N 435.951 6.260 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(C)C 223074842 GRBQXPGPVGACRB-UHFFFAOYSA-N 445.968 6.374 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 223253250 IFXWRCMCUSGGJF-WINIVTDRSA-N 444.600 5.514 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 223348578 HSSMGNPENVFYIR-NRFANRHFSA-N 445.003 5.058 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224033691 ZUDHADMVYFZSCN-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB C[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 224065015 AOORMQBHXWTVHD-CQSZACIVSA-N 449.359 5.285 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224297667 UFJPGSXFGXVERA-FTJBHMTQSA-N 444.648 6.409 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1cccnc1 224459874 GOGUSEADMKUDBF-PKTZIBPZSA-N 445.979 5.406 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 224944909 CGSQLXDBTRHJRX-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 225051996 RSINXWDMURCYGL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 225131499 CQLBFQUKPDEDRF-DEOSSOPVSA-N 441.015 5.529 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225281194 CEIAHHRIXOUTEM-CABCVRRESA-N 439.358 5.007 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225371528 JUGSLGBSSVENCX-AREMUKBSSA-N 434.624 5.145 0 40 IKAB C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2C)cc1 225542581 FORZEEDLBOANME-UHFFFAOYSA-N 449.579 6.625 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCc2cccc(OC(C)C)c2)ccc1Cl 225566085 MRAQLWZBJAPFJT-UHFFFAOYSA-N 434.989 5.223 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 225577009 GMRVNTDGMCYNQM-CVDCTZTESA-N 445.003 5.058 0 40 IKAB CC[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 225719019 AMNHIVOBVYTSGW-OAHLLOKOSA-N 432.895 5.814 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225870723 IIXZCRHQRMBKGY-UHFFFAOYSA-N 442.028 5.699 0 40 IKAB Cc1cc2nc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)oc2cc1C 226308480 BEHKMFNFYLLQNV-UHFFFAOYSA-N 446.727 6.002 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498486 AHQGBTJUQBJWCN-KMKVHQATSA-N 436.592 6.107 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1C(=O)CCc1ccccc1 257337825 YUODWCXLFQEJSH-NRFANRHFSA-N 448.632 5.550 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 408546086 CCRQHKKBGGNWKS-XNTDXEJSSA-N 426.925 5.101 0 40 IKAB O=C1CS[C@H](c2ccccc2OCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408555010 GQZZPLRWJQMYSE-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)cc1 408558252 SMVHCRFUJIDEAG-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408571592 BTLAKWROXCWGTF-UHFFFAOYSA-N 441.980 5.444 0 40 IKAB CCn1c(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408635347 ZQTPJFBXRXZZQV-UYRXBGFRSA-N 427.957 5.960 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4cccc(Cl)c4)cc3)sc2c1 408872113 KSBOANLUSBXWCR-UHFFFAOYSA-N 439.005 6.797 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)c1 409007993 UBCYTTBNHUNZBO-LBPRGKRZSA-N 438.336 5.556 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(F)c2)c2ccc(C(C)C)cc2)cc1 409025197 RMQOTYJXHJOYHS-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(Cl)cc4)C3=O)c[nH]c12 409166907 GNPRINRIMRQCMR-ZDLGFXPLSA-N 439.924 5.059 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2cccc3ccccc23)cc1 409180632 XMPZONYAEXUPDF-UHFFFAOYSA-N 426.468 5.467 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OC)c2)C1=O 409199734 CZNZAGPECQXNAY-STZFKDTASA-N 429.513 5.640 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21)c1ccccc1 409369849 ZYQMEKBZNSPNJD-RFZJPIJTSA-N 443.852 5.754 0 40 IKAB COc1ccc2c(c1)CC[C@H](CC(=O)N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1)C2 585091818 UYJCQQLUONTDBI-QFIPXVFZSA-N 443.543 5.117 0 40 IKAB CC1(C)Cc2c(sc3ncn4nc(CSc5nc6ccccc6s5)nc4c23)CO1 1251277 GZTYBSWLWRQFEA-UHFFFAOYSA-N 439.591 5.092 0 40 IKAB COc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)c(=O)[nH]c2c1 1327493 ICQCVXNEQXFBAI-UHFFFAOYSA-N 425.916 5.167 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C 1371174 SLTGDZVHMNGXJU-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1-c1cnc(C)nc1C(F)(F)F 1397891 NCVZBAJQMZVJQT-UHFFFAOYSA-N 432.185 5.219 0 40 IKAB CCCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770148 YLFWSYLKEACVPM-KRWDZBQOSA-N 438.520 5.993 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 2059340 PFGBKJPOPHDVNF-KGENOOAVSA-N 433.891 5.662 0 40 IKAB CCOc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c1[nH]c1ccccc12 2113081 ZZVJPSMFOFTWNH-UHFFFAOYSA-N 449.554 6.144 0 40 IKAB biogenic CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 2177501 NSFFGGGTKOECMM-OVVICAPSSA-N 446.388 6.567 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2218669 KMTVLYHWZYGOQH-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Clc1cc(Cl)cc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 2270021 HNHZALGZAWNORN-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 2340618 ADUVOIDFGYPDHC-UHFFFAOYSA-N 427.298 5.556 0 40 IKAB C[C@H]1CCc2sc(C(=O)OCC(=O)N(CCc3ccccc3)Cc3ccccc3)cc2C1 2660436 BVUQIFBBPBTKMK-FQEVSTJZSA-N 447.600 5.301 0 40 IKAB Cc1cccc(-c2sc(=S)n3c4ccccc4c(=O)n(Cc4ccccc4C)c23)c1 2693334 AEGRVKKPHDRQMG-UHFFFAOYSA-N 428.582 6.377 0 40 IKAB O=C(CSCC(=O)NC(c1ccccc1)c1ccccc1)Nc1cccc2ccccc12 3067852 SCTUXUYLWODSHP-UHFFFAOYSA-N 440.568 5.417 0 40 IKAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)c1ccc(Br)cc1 3335411 DLCMZHYVDYWHJG-NSHDSACASA-N 433.396 5.696 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3356033 SSYMVOCJMKOWQB-KRWDZBQOSA-N 432.524 5.217 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@H]2CC[C@]1(C)C2(C)C 3429522 UVWGKYLODFTVNF-VVWXKSFDSA-N 434.411 5.800 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 4104780 PSZDOEIIIJFCFE-HFXSPDLASA-N 442.728 7.141 0 40 IKAB CSc1nc2ccc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)cc2s1 6182225 FCIBBXJQEJPCQF-UHFFFAOYSA-N 428.542 5.881 0 40 IKAB CCOc1ccccc1NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 8706492 TZTBZLZLNFXPFU-UHFFFAOYSA-N 429.545 5.669 0 40 IKAB O=C(NCCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C1CCCCC1 8756413 MBHNEURZWTUURA-UHFFFAOYSA-N 439.987 5.398 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(Cl)cc3)c2c1 8768881 WRGKUBYSRIUKFS-UHFFFAOYSA-N 431.923 5.214 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2)c1ccccc1Cl 8926514 SATAVKPODCXBTQ-UHFFFAOYSA-N 430.356 6.417 0 40 IKAB Cc1cccc(-c2n[nH]c(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)n2)c1 9056739 KFPFJTVZZBOQJE-UHFFFAOYSA-N 427.744 5.471 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1OC 9184960 WCOMJRICIWCVNA-HYBUGGRVSA-N 438.886 5.739 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 9250373 UWOGDOVFOSDTSH-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB COc1cccc(-c2nnc(SCc3ccccc3F)n2-c2ccc(Cl)cc2)c1 9308110 MJCDHWJXNGLXRS-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB Cc1cc(C)cc(C(=O)NCCn2cc(SCc3cc(C)ccc3C)c3ccccc32)c1 9391917 FCUBYGUUFWAMEA-UHFFFAOYSA-N 442.628 6.597 0 40 IKAB Clc1ccc2nc(N3N=C(c4ccco4)C[C@@H]3c3ccco3)nc(-c3ccccc3)c2c1 9412027 RRVNKTFWLQBIOT-OAQYLSRUSA-N 440.890 6.492 0 40 IKAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 9432025 CELZCUZCXWCFLQ-PGRDOPGGSA-N 443.613 5.275 0 40 IKAB O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2SC[C@@H]1c1ccccc1 9468591 IOIJKKYHCLXERT-OAQYLSRUSA-N 444.585 5.240 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)c1 9518414 ZTXABFUXCGMVTL-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB COc1ccc(-c2cn3c(C)c(C(=O)N4CCC(Cc5ccccc5)CC4)sc3n2)cc1 9569635 ZLDFIYFWQOUAKX-UHFFFAOYSA-N 445.588 5.475 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nc2ccccc2c1=O 9632110 HUTWXAPCTJAHNF-UHFFFAOYSA-N 443.572 5.450 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(Oc2ccccc2)c1 9805658 PZEBOEWWWGPUQG-UHFFFAOYSA-N 431.539 7.159 0 40 IKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3)nc2c1 9892089 KTQWGWBKQFNCNK-UHFFFAOYSA-N 434.495 6.635 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 9892168 SMMPVMBCASVRPN-UHFFFAOYSA-N 445.544 5.754 0 40 IKAB CSc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2c1 10832971 OHJZPSMBRDTITH-NSHDSACASA-N 425.000 5.559 0 40 IKAB O=c1cc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2sccn12 12567292 WWINYXGTPBRVQO-UHFFFAOYSA-N 443.985 5.075 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3c(C(F)(F)F)c2C1 12858094 YTRWKASJWYJECO-SNVBAGLBSA-N 437.462 5.804 0 40 IKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCN(c5ccccc5)CC4)c23)cc1 13031478 GVQBOVFMJVMBCL-UHFFFAOYSA-N 449.583 5.747 0 40 IKAB CCN(CC)[C@H](CNc1ncnc2scc(-c3ccc(OC)cc3)c12)c1ccccc1 13095831 IPGNWOWBUMYPLA-JOCHJYFZSA-N 432.593 5.862 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 13799332 JCOSWLKWFVQNSZ-AHKZPQOWSA-N 446.978 7.070 0 40 IKAB Cc1cccc(-c2cc(C(=O)N3CCN(c4ccccc4F)CC3)c3ccccc3n2)c1 13893639 MQVYJAFMYMJAHG-UHFFFAOYSA-N 425.507 5.312 0 40 IKAB CC(C)CCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 13942463 NOBYPPMMENNGFJ-MHZLTWQESA-N 426.535 6.576 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1 13946066 SERLQXIMHXTFJK-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB C[C@@H](Oc1ccccc1Br)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 13955136 NPHFHNQVSPVRGE-CQSZACIVSA-N 436.309 5.398 0 40 IKAB CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 14245057 YNYRMDINNLNWTN-UHFFFAOYSA-N 429.907 5.509 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3c(C)ccc(C)c3s2)c1Cl 14272456 FIFJHOSAFMXCHI-UHFFFAOYSA-N 443.783 6.508 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(F)c1F 14272550 WKIZVMLXSRPUQL-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 14793481 XUDKOKMNEWHKJE-UHFFFAOYSA-N 429.451 5.260 0 40 IKAB O=C1CC[C@@]2(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)Sc3ccccc3N12 14801962 HVTLYSHZNVBTIO-DEOSSOPVSA-N 427.485 5.062 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 15303681 SEWIGMTXIXWPLN-UHFFFAOYSA-N 440.572 5.739 0 40 IKAB Cc1ccccc1-c1nc2c3c(C)c(C)n(-c4ccccc4Br)c3ncn2n1 15842292 URLDCCROIZLGOD-UHFFFAOYSA-N 432.325 5.423 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc(Cl)cc2)on1 15859977 VDSYNPTVZZBBJB-IBGZPJMESA-N 429.973 5.404 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 15906118 URCYLZKABXHHDE-FMIVXFBMSA-N 447.343 5.446 0 40 IKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)/C=C/c4ccco4)cc2)N3)C1 15945387 LTXUMWFDKFJDBZ-ZIFVKHNRSA-N 448.544 5.904 0 40 IKAB CCOc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 16001738 QNADLVUCHSQBRX-UHFFFAOYSA-N 445.924 5.187 0 40 IKAB Cc1ccc(/C=C2/N=C(SCc3ccc(Cl)cc3)N(c3cccc(C)c3C)C2=O)cc1 16091163 PWYBSMVSHVSEHQ-HZHRSRAPSA-N 447.003 6.942 0 40 IKAB C[C@@H](NCc1c(OCc2ccccc2F)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 16576113 BIGKELGMKWTPQK-ODAWRTACSA-N 443.606 7.252 0 40 IKAB CCOc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 16688535 VPSGKEUFNVWMAC-UHFFFAOYSA-N 445.184 5.986 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 16788696 SHYJDMXOSWWCBN-UHFFFAOYSA-N 444.343 5.868 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(CC)cc3)cc12 16841694 JKVVSCYCHYFQAH-UHFFFAOYSA-N 432.549 5.088 0 40 IKAB CCOc1ccccc1-c1nc(CSc2nc(O)cc(-c3ccc(OC)cc3)n2)c(C)o1 16841824 DEAGJAUWCOLKFG-UHFFFAOYSA-N 449.532 5.512 0 40 IKAB Cc1cc(NC(=S)NC(=O)Cc2ccccc2)cc(-c2nc3ccccc3s2)c1O 17098548 FGEJEUSYSAFMSD-UHFFFAOYSA-N 433.558 5.033 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 17099275 HFGWIBYEUCARSZ-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB CCCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 17099887 OXJAEBBLKZQPHZ-CYBMUJFWSA-N 435.973 5.419 0 40 IKAB Cc1c(C(=O)CN2CCN(C3c4ccccc4-c4ccccc43)CC2)c2ccccc2n1C 19371924 QIALPFNRTLNBOX-UHFFFAOYSA-N 435.571 5.057 0 40 IKAB CCc1c(-c2ccc(OC)c(OC)c2)nn(-c2ccccc2)c1-c1ccc(OC)c(OC)c1 19641089 DVSFAOPXGGPCSD-UHFFFAOYSA-N 444.531 5.803 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3)nc2c1 19643722 POXNPLCJNMFQOV-BYIUCRAPSA-N 445.544 6.128 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)s1 19687894 XRGYOSYTOBVQSJ-HXUWFJFHSA-N 445.510 5.742 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140404 FESHZWKJQYSDKE-UHFFFAOYSA-N 425.843 6.052 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1C 22275068 VCHVQQXQRPKUAQ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)N1c2ccccc2CCc2ccccc21 25538522 IBFJBPKJNXRXTN-UHFFFAOYSA-N 427.529 5.216 0 40 IKAB CCCOc1ccccc1-c1n[nH]c(SCc2ccc(OC)c(Br)c2)n1 26806721 QVWINHJETORGJH-UHFFFAOYSA-N 434.359 5.324 0 40 IKAB Clc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 34258882 AMGADLQGZRNVQK-XDTRZITMSA-N 433.382 7.794 0 40 IKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)cc1 39754086 JMFRHDFGGGKELL-UHFFFAOYSA-N 430.617 6.138 0 40 IKAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(SCc2cn3ccccc3n2)cc1 40040552 FENDKOPDZRSHDK-UHFFFAOYSA-N 429.545 5.228 0 40 IKAB COc1ccc(-c2csc(-c3ncc(-c4ccc(OC)c(OC)c4)s3)n2)cc1OC 44827473 ZKASEYPOOXGKFL-UHFFFAOYSA-N 440.546 5.635 0 40 IKAB Cc1nn2c(N3CCN(Cc4ccccc4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1 54274599 XZFZEAHIMUTUJG-UHFFFAOYSA-N 439.607 5.324 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 57317009 GNRGOPZHOCSYKI-UHFFFAOYSA-N 435.115 5.402 0 40 IKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2c1cc(OCC)cc2c1NC(C)(C)C=C2C 59059128 JPCXDKKEKXRNAF-UHFFFAOYSA-N 432.608 7.425 0 40 IKAB in-vitro 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](OC)CC(=O)O3)[C@@H]21 67665423 OLSYISKGDWQZSZ-MXORVIHWSA-N 432.601 5.240 0 40 IKAB in-vitro CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCCC1 72215619 SDKCYOBGQHVSSS-LJQANCHMSA-N 431.577 5.838 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@@H]3CC=CCC3)CC2)c1 72345316 QKRIYDXDFGFKOW-XMMPIXPASA-N 444.619 5.258 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2)sc1C 72375853 ZOJSZMRZEHCDQD-FQEVSTJZSA-N 438.572 5.679 0 40 IKAB COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccccc1 79052653 QDUUOQUVWXIZGW-SIKLNZKXSA-N 446.975 5.265 0 40 IKAB O=C1S/C(=C\Nc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc21 100408524 YYCRAJLWNPDHJI-WQRHYEAKSA-N 448.853 6.844 0 40 IKAB Cc1cc(NC(=O)[C@@]23CC[C@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1 100776174 YGJBUOIHEQKSNE-NHCUHLMSSA-N 431.323 5.201 0 40 IKAB CC1=C(C)CP(=Nc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)(C(C)(C)C)C1 101123223 UVGCEEJNHCYNOU-UHFFFAOYSA-N 429.673 9.560 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Cl)cc1 102969870 AYOOLMOEXJWWAF-RUZDIDTESA-N 436.983 7.323 0 40 IKAB CN(CC[C@H](Oc1cccc2ccccc12)c1cccs1)C(=O)c1ccccc1C(=O)O 205484013 QYWSULHSCQVWPV-QHCPKHFHSA-N 445.540 5.882 0 40 IKAB in-vitro CN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2cccc3ccccc23)S1(=O)=O 219177901 OPCAHDOWTVJWAS-UHFFFAOYSA-N 440.524 5.018 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)cc1 222827635 PGXWQDBFJXHORF-ORQKMDSUSA-N 448.588 5.028 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222891292 NJWUBKDOZJDNNO-WOJBJXKFSA-N 429.998 5.862 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223043660 RPKIXEFPAFDNPC-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB C[C@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C)c1ccc(Cl)cc1 223108748 VIWXIEIXYRKNNY-RYUDHWBXSA-N 445.744 5.026 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C(C)C 223327780 DXGOJDOLDOOQQX-QGZVFWFLSA-N 448.401 5.763 0 40 IKAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394855 SGIJWFQLIICUMN-RPWUZVMVSA-N 428.536 5.184 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 223511089 NUPPNEKTQYMSAG-DHIUTWEWSA-N 444.585 5.394 0 40 IKAB CCC1(CC)C[C@H](NC(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 223739119 OOLZNEYUTQKEKX-KXBFYZLASA-N 432.358 5.415 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 223808898 PDLJNMABLLTKLD-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl 223974980 VOXQDHRHEQBERM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 224043017 LXBITUXKYKTVRX-SFHVURJKSA-N 447.044 5.295 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224111711 ODHOWZULNFMNQW-KRWDZBQOSA-N 447.406 5.055 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(NS(=O)(=O)c2cccs2)cc1 224238751 VDVKDSTVIFPHSI-UHFFFAOYSA-N 448.525 5.701 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 224244217 AIUQGBOFUMKGIY-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 224329724 CKKASHGYXNBPKX-UIOOFZCWSA-N 438.600 5.920 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224408371 VKLMGWAHHUSCQA-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 224615605 JOPLIUQKVKFZBX-PKTZIBPZSA-N 445.569 5.709 0 40 IKAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224865838 FEYGUVDSBJFYMJ-UXHICEINSA-N 426.973 5.174 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225717986 SZJIWBQAHAWCLR-JOCHJYFZSA-N 447.044 5.544 0 40 IKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226348789 QMZSEIDFOIJDRK-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)s3)CC2)n1 257289389 PYJUZAGAXJUAAI-WGSAOQKQSA-N 438.597 5.439 0 40 IKAB Cc1ccc(Oc2ccc(F)cc2O[C@@H]2CCC[C@@H](N(C)Cc3ccccc3)[C@H]2O)cc1 257344382 ZWZDZNUSUPIYFF-DFZDUAMZSA-N 435.539 5.719 0 40 IKAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccccc1Cl 408631405 IMMGGRIEOVWRAI-ODLFYWEKSA-N 446.912 5.227 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(Cl)cc2)c1 408696737 BNPVDVCXZODEKB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccccc1Nc1nc(-c2ccc(Oc3ccccc3)cc2)c(CC(=O)O)s1 408890257 QKUQYDWAYMJBSW-UHFFFAOYSA-N 446.528 6.372 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2cccc(C)c2Cl)c2ccccc2)cc1 408978616 JKPLDLUGARHQAK-OAQYLSRUSA-N 442.968 5.005 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2cccc(Cl)c2)cc1 409178824 IUCSGAPKMFEPGW-HHHXNRCGSA-N 438.958 7.014 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409181690 FBAYFEJGXLQISN-JJZOFQSHSA-N 436.599 7.106 0 40 IKAB CC[C@@H]1Oc2cccc(-c3cccc4c3P(C(C)(C)C)[C@H](CC)O4)c2P1C(C)(C)C 1772769059 NJRKBHDYCXLDKH-WWJCJQDFSA-N 442.520 7.422 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cc(C)ccc2C)c1C 868956 MRFZKYPHMRDEKT-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1ccc(Cl)cc1)nc(C)n2Cc1cccc(Cl)c1 1338763 SOTUBXSEXGFUSK-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 1410115 YSBBYOTWFWUSLC-RPWUZVMVSA-N 437.580 5.451 0 40 IKAB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1OC 1746688 ZQLIRKHOPMIJPK-YADHBBJMSA-N 426.310 5.697 0 40 IKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 1810089 CNIUNSVDELGIOF-UHFFFAOYSA-N 449.300 6.059 0 40 IKAB biogenic Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c(C)c1 1844510 RPGPFWRLCIAFAG-UHFFFAOYSA-N 445.544 5.561 0 40 IKAB CCCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 2082427 PXXKEWNXGSXDTB-SFHVURJKSA-N 447.600 6.210 0 40 IKAB Nc1c(Br)cc2oc(-c3cc(Cl)ccc3Cl)nc2c1Br 2236476 SVICBQDNZGXMAQ-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O 2412860 FXZBFPYMYOAOPL-XMMPIXPASA-N 433.548 5.585 0 40 IKAB COc1ccc2nc(NC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)sc2c1 3263162 FPFKYZARZDOMIQ-UHFFFAOYSA-N 446.572 6.434 0 40 IKAB FC(F)(F)c1cccc(-n2c(SCCOc3ccccc3)nnc2-c2cccnc2)c1 3292636 HAKOIGVBTMYFER-UHFFFAOYSA-N 442.466 5.519 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)O[C@H]1[C@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 5104371 RWMSDNFAXBDHCY-QSKGFVLDSA-N 446.672 6.555 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 8396134 SNVRIQGSMBZEIL-OVCLIPMQSA-N 426.719 5.807 0 40 IKAB COc1cccc(CNc2cccc(C(=O)O)c2)c1OCc1ccc(Cl)cc1Cl 8437847 KHFDIUFYCCANHO-UHFFFAOYSA-N 432.303 5.891 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8832358 TWGPZBBMNCUKMK-UHFFFAOYSA-N 449.765 7.149 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc2ccccc12 8922014 NFFKBUGCXUFEEA-MHZLTWQESA-N 441.914 5.501 0 40 IKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)Nc1ccccc1C(F)(F)F 8922883 WLNUIEBVLCVOND-UHFFFAOYSA-N 426.463 6.585 0 40 IKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9172608 OORHMFOEMMHPPK-UHFFFAOYSA-N 438.984 5.954 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)nc4ccccc34)n2)c(OC)c1 9253762 BTJQNPMBXVJMAI-UHFFFAOYSA-N 425.897 5.281 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C 9284698 UGARBTHSOPWDNM-UHFFFAOYSA-N 448.548 5.017 0 40 IKAB CCOc1ccccc1[C@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 9292270 OLTVZUDKSIEUPR-IFMALSPDSA-N 438.358 6.888 0 40 IKAB COc1ccc(-c2c(N)oc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 9340476 PNDJPIYRPHRVDT-UHFFFAOYSA-N 442.298 5.937 0 40 IKAB biogenic Cc1ccc(NCc2ccc(N3N=C(c4ccccc4)C(C)(C)[C@H]3c3ccccc3)cc2)cc1 9428740 VWTVAEFCSNNANY-SSEXGKCCSA-N 445.610 7.599 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)cc1 9503344 PHCPILRFARXPOH-SFHVURJKSA-N 441.603 5.238 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)N2CCCC2)n1C1CCCCC1 9504009 CHXOIRFLOQJZTJ-UHFFFAOYSA-N 449.020 5.039 0 40 IKAB O=C1c2ccccc2N[C@H](c2csc(-c3cccc(Br)c3)n2)N1C1CC1 9516929 SLCUVNUVEHIYCH-SFHVURJKSA-N 426.339 5.302 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCc3nc4ccccc4s3)n2)cc1OC 9645683 FBQFVIPIXBYHQU-UHFFFAOYSA-N 439.562 5.398 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10314257 FVMVCOWUJBFGTI-UHFFFAOYSA-N 442.540 5.007 0 40 IKAB Cc1cc(Nc2ccc(C)c(C)c2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10343824 GZEINECLXBOMMX-UHFFFAOYSA-N 430.861 6.737 0 40 IKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc2ccccc2c(=O)o1 12273894 YETSWDUJMDLGHZ-UHFFFAOYSA-N 430.407 5.111 0 40 IKAB O=C(O)c1cc(Cl)cc2c1N[C@@H](c1cccc(OC(F)(F)F)c1)[C@@H]1[C@@H]2[C@H]2CC[C@@H]1C2 12428836 MDYBVKDISQFLKR-UOOOGJJPSA-N 437.845 6.233 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NS(=O)(=O)c3ccc(C)c(C(=O)O)c3)cc2)c1 12631495 UFXSUOCCYHTMSA-UHFFFAOYSA-N 427.547 5.262 0 40 IKAB Cc1ccc(NC(=O)c2occc2COc2ccccc2)cc1I 12901247 HFMZAXKFNZZNEH-UHFFFAOYSA-N 433.245 5.024 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccnn1Cc1c(Cl)cccc1Cl 12914937 IBDQFAUAGYCYBE-UHFFFAOYSA-N 449.388 5.604 0 40 IKAB CC(=O)Nc1cc(F)ccc1-c1csc(NC(=O)CCc2ccc(OC(F)F)cc2)n1 13002524 YZTSLDJJCBSDJD-UHFFFAOYSA-N 449.454 5.080 0 40 IKAB Cc1cc(C2=NN=C(Nc3cccc(C(F)(F)F)c3)SC2)c(C)n1C[C@@H]1CCCO1 13062787 XISHOGPEZBGGMX-KRWDZBQOSA-N 436.503 5.222 0 40 IKAB O=c1c2sc(-c3ccc(Br)cc3)cc2ncn1Cc1c(F)cccc1Cl 13113561 DPNCGTLIMNMFGF-UHFFFAOYSA-N 449.732 5.728 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2C2CCCCC2)cc1 13128209 BWHSEWJHDCIGCM-QZTJIDSGSA-N 442.629 5.341 0 40 IKAB CC(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)on1 13149958 KQIAPRKTTNPRNM-UHFFFAOYSA-N 445.976 5.556 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 13301242 SEHDOBWHDBZZQU-KFYHQIPESA-N 429.470 5.797 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 13768627 YFVDRWSYNVHUJT-AUSIDOKSSA-N 439.298 5.964 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)cc1OC 15729397 WIBGXIPHWKRTEF-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1Cl 16195829 JDMQPEPJEJXIGS-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB CN1[C@H]2CC[C@@H]1CC(NCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)C2 16248968 ZQTWIVCZRWGKNL-ALOPSCKCSA-N 447.526 5.050 0 40 IKAB O[C@@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 16477422 ZORGMDKFXAKOIA-NRFANRHFSA-N 436.766 6.049 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 17095957 FXEJILLSOOTZTE-SFHVURJKSA-N 428.532 7.048 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 20110279 YTMBYDZVOMPRKB-OAQYLSRUSA-N 448.401 5.864 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1NCc1ccccc1 20382390 PKVYTHAZXYVRAO-UHFFFAOYSA-N 426.900 5.472 0 40 IKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(Br)cc1 22072672 GUOKLJNXBUPCFE-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 23099494 QEFIKPUGKVSTOY-LLVKDONJSA-N 432.864 5.344 0 40 IKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1ccccc1Br 29012987 IAKSSGOYFBSADO-UHFFFAOYSA-N 427.245 5.844 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@@]21C 31371262 TVHARYBPHHUEHF-JDTILAPWSA-N 444.773 8.023 0 40 IKAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)c1cccc(Oc2ccccc2)c1 32609848 HDKUMINWOGOPQS-UHFFFAOYSA-N 431.467 5.720 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 33000331 HSUWYBWEMHJMPI-AWEZNQCLSA-N 449.557 5.212 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)c1 33004209 IOCTVOKLRKKKEB-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCc1ccc(NC2=NC(=O)/C(=C\c3cccc(OCc4ccc(Cl)cc4)c3)S2)cc1 35042680 BFAWHCIUZQCPTJ-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4ccc(OC)cc4)cc(C(F)F)c3c2N)cc1 36559182 CGAWVZWYMQDIFS-UHFFFAOYSA-N 440.471 5.731 0 40 IKAB Cc1cc(F)ccc1NC(=O)c1ccccc1N(C)C(=O)c1ccc(Br)o1 40144248 OMSSXZYUTGDYEM-UHFFFAOYSA-N 431.261 5.019 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccc(Br)o1 40160143 YCRSUSYUNYOQHE-UHFFFAOYSA-N 442.338 5.778 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 44855176 QBBDWPFHEWIHBM-KNQAVFIVSA-N 426.988 5.279 0 40 IKAB Cc1cccc(NC(=O)N[C@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 57015951 KEBYHGNSWSGQQM-YKSBVNFPSA-N 434.609 5.130 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426035 AZHUOHGXFPDOJF-UHFFFAOYSA-N 429.611 5.106 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1)c1cccc(C)c1 57487388 AXBVJLXLKMFXFV-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB O=C(c1ccsc1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 89885418 VWIOTJYTBLPMPG-QGZVFWFLSA-N 425.897 5.032 0 40 IKAB CO[C@]12C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H](C)[C@]1(CC[C@H](C)CO1)O2 118936393 MZKXAXQZGWDJRJ-CIMQRESDSA-N 446.672 5.768 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)c1 214605741 XTBDYQWFHOTVMN-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)S1 222624886 LTXHGWZFKUHNND-XMCHAPAWSA-N 439.382 5.224 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 223240007 WIVMQQSQVOKLKM-FQEVSTJZSA-N 444.616 5.009 0 40 IKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223358899 ACCTWFOVINLVTF-MUUNZHRXSA-N 442.603 5.696 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223474581 LXDUHYCTECJHLA-GOTSBHOMSA-N 430.508 5.048 0 40 IKAB CCCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC 224418923 LWEYBJLBZBKVNR-UHFFFAOYSA-N 425.912 6.320 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1C 224614583 AZJNBVNXBIWLCP-RPBOFIJWSA-N 440.572 5.372 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 224765914 HNAIDHBKKJUYRA-QHCPKHFHSA-N 444.616 5.029 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 224908943 CQTCJWLYMGGTLU-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225211129 UKIPRWVOIRVOTQ-WOJBJXKFSA-N 444.616 5.008 0 40 IKAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935891 BRGCHFWNZZZWRG-UHFFFAOYSA-N 438.862 5.428 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](NC[C@@H](O)COc3ccccc3)CC[C@H]12 245232364 ULILXULMDVDQAM-YNICZWJZSA-N 425.657 5.817 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)CCN(C)c3cccc(F)c3)CC2)nc1 257216966 CWWULDJNXVVODD-UHFFFAOYSA-N 445.582 5.352 0 40 IKAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)c1 257318460 VOAUZJIYBVCCCV-DEOSSOPVSA-N 432.995 5.973 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccccc1C(=O)N1CCCCCC1 408568953 VKDKLNGVSFKVML-UHFFFAOYSA-N 434.964 5.367 0 40 IKAB COc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 408647629 SXIDSSACDSCLKY-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 408661221 BNHTYEOVCUKFTD-KKLQWCBXSA-N 437.536 5.100 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)c1C 408698195 MAPWCLRSRLIXKP-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 409016733 VNKSSCCLQRKNDH-YRIIZNAFSA-N 446.906 5.148 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1F 409116732 OOGJWLICWYXZLD-UHFFFAOYSA-N 429.491 6.818 0 40 IKAB CCCOc1c(I)cc(CNc2cc(C)ccc2C)cc1OCC 409117416 LVAHJBLAAFMIED-UHFFFAOYSA-N 439.337 5.708 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(OC)c2)c2ccccc21 409122474 ZITHNASXIGDWOT-JCMHNJIXSA-N 443.499 5.270 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C 409175039 YKSUEXLUSYGLTE-LICLKQGHSA-N 435.307 5.277 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 409230678 FHZAKTJZDWPJLK-HYARGMPZSA-N 432.907 5.320 0 40 IKAB CC(C)c1ccc([C@H]2CC(=O)c3c(nc4c(cnn4-c4ccc(Cl)cc4)c3N)C2)cc1 618256912 NPBWRSNWHVSGOQ-QGZVFWFLSA-N 430.939 5.692 0 40 IKAB CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 674720 LDTIVVFEFFISDE-UKRRQHHQSA-N 435.277 5.236 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1)NC1CC1 1061742 QPQIMQJXGWSLPU-UHFFFAOYSA-N 433.558 5.073 0 40 IKAB Cc1cccc(-c2cc3nc(-c4ccccc4)cc(NCc4ccc5c(c4)OCO5)n3n2)c1 1341328 VFONKWQRGNWMIY-UHFFFAOYSA-N 434.499 5.713 0 40 IKAB Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 1415862 XQPLRLDYXGUXDB-UHFFFAOYSA-N 431.746 5.661 0 40 IKAB Cc1ccnc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 1890796 PRYZQWNJXGNBNK-DEOSSOPVSA-N 427.573 6.522 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 2128696 KVZNVTKJURSTNN-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(CCc3ccccc3)c3nc4ccccc4nc23)cc1C 2254154 WHANNLDIMABZAU-UHFFFAOYSA-N 435.531 5.279 0 40 IKAB CC(=O)NCCC(=O)N(c1ccc(Oc2ccccc2)cc1)c1nc2ccccc2s1 2629230 TWGVOMVTKSIYFL-UHFFFAOYSA-N 431.517 5.280 0 40 IKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccccc1OCc1ccc(Cl)cc1 3281486 CAUDEPIRRQPJRN-UHFFFAOYSA-N 428.871 7.038 0 40 IKAB C[C@@H](Cc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1N)c1ccccc1 3335995 JKKRETNLFBFQSV-SFHVURJKSA-N 434.609 5.361 0 40 IKAB CCOc1cc(C(=O)N(C)C(c2ccccc2)c2ccccc2)cc(OCC)c1OCC 3387236 IRWSISSBENZDES-UHFFFAOYSA-N 433.548 5.744 0 40 IKAB c1ccc(-c2ccc(-c3nnc(-c4cc(-c5cccs5)nc5ccccc45)o3)cc2)cc1 3407743 NGPLCFNWGGQKDW-UHFFFAOYSA-N 431.520 7.347 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 4163449 ZCLHYOSGLYGZBR-LXGCGDOSSA-N 444.457 5.157 0 40 IKAB CC(=O)c1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(C(C)=O)c2)c1 5329260 YUEOTDOGLHGSFU-UHFFFAOYSA-N 436.552 5.790 0 40 IKAB O=C(c1ccc(COc2ccc3ccccc3c2)o1)N1CCC(Cc2ccccc2)CC1 5773046 LPJXFAKDZHREQX-UHFFFAOYSA-N 425.528 6.107 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(N(CC)CC)cc2)o1 6582319 OBCVBQHXRHXXAE-UHFFFAOYSA-N 425.554 5.476 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(-c3ccccc3)cc2)c(-n2nc3ccccc3n2)c1 8721997 XRDKJYVAJGYYKM-UHFFFAOYSA-N 434.499 5.413 0 40 IKAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)NCCc1ccc(Cl)cc1 8772024 ZFALPIGFDANSJO-UHFFFAOYSA-N 449.363 5.375 0 40 IKAB CC(C)(C)c1ccc(COC(=O)Nc2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 8782263 FQXTXLAHHPEMNC-UHFFFAOYSA-N 444.962 7.601 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CSc4nnc(C5CC5)n4C4CC4)[nH]c(=O)c23)cc1 8988590 TYIWBMOSDHANCG-UHFFFAOYSA-N 449.605 5.365 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 9254959 KTEVWKIPRBLEHC-HXUWFJFHSA-N 435.549 5.376 0 40 IKAB CCc1cc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)ccc1Cl 9272421 STTLDWAXDYDUAP-UHFFFAOYSA-N 434.923 5.367 0 40 IKAB Clc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9291885 HQRPJHDTNALSAM-FPOVZHCZSA-N 438.756 6.599 0 40 IKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1c(Cl)cccc1Cl 9316490 VCMOHFFVWDMMCR-UHFFFAOYSA-N 446.384 6.396 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccc(F)cc1 9347239 XPNSPKAGXOVVIP-UHFFFAOYSA-N 431.492 5.803 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)[C@H]1COc2ccccc2O1 9391428 IJFRYYBPFRAOJU-GOSISDBHSA-N 448.569 5.682 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1 9545892 XJAKXXZMADIQPZ-QFIPXVFZSA-N 444.560 5.446 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1F 9546563 LZQJWRZVQVLKQI-LJQANCHMSA-N 443.478 5.278 0 40 IKAB COc1cccc(Nc2nc(NCc3ccc(C)cc3)nc3c2cnn3-c2ccccc2)c1 9573610 FRVNZWUQGJMIKZ-UHFFFAOYSA-N 436.519 5.488 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2CCc2ccccc2)[C@@H]3CCC1 9614288 OEEUGWDXCKQBCB-MUUNZHRXSA-N 434.583 6.268 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nc(-c3ccccc3)cn2N)cs1 9647072 VJRZQRFPUPDCAB-UHFFFAOYSA-N 449.605 5.314 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)NC1CCCCC1 9664173 JADAZNWQBHLMFO-UHFFFAOYSA-N 441.000 5.188 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2ncnc3sccc23)c2ccccc2)cc1Cl 9797609 GRYWUAVELLLYTD-SFHVURJKSA-N 441.965 5.825 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 10015767 KZLCUGWHXIJAFR-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cnc(Cl)c(Cl)c2)c1 11088970 CRIHSCDVXIYUAO-OAHLLOKOSA-N 442.346 5.750 0 40 IKAB Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 11634436 OPAMMOKIPMYTRM-OAQYLSRUSA-N 449.576 6.147 0 40 IKAB Cc1cccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 12160709 NGXURAVDXYYDHZ-RLLQIKCJSA-N 448.533 5.084 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3cccc(C)c3)n2)cc1 12442189 XZNKSWPMHNNRFK-UHFFFAOYSA-N 432.549 5.193 0 40 IKAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 12536960 KYKUUNRJMUXBHC-UHFFFAOYSA-N 434.609 5.246 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccccc2Cl)c1 12902354 TVNVLMVYZPXCOP-UHFFFAOYSA-N 436.939 5.247 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12932505 YLPUXFKYDDMTCF-HUUCEWRRSA-N 445.382 5.232 0 40 IKAB COc1ccccc1[C@H](CNc1ncnc2scc(-c3ccccc3)c12)N1CCCC1 13137301 FNKXBWUKFHEBTM-NRFANRHFSA-N 430.577 5.616 0 40 IKAB Cc1cc(C)c2c(-n3cccc3)c(C(=O)Nc3ccccc3Cc3ccccc3)sc2n1 13137849 UIDLOTUZJQRBBG-UHFFFAOYSA-N 437.568 6.547 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 13502395 MWQWXKYOQVELAH-VWLOTQADSA-N 445.538 5.366 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 13634909 UMJWCGIUTWJVPU-HXUWFJFHSA-N 430.335 5.975 0 40 IKAB C[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 13763895 LBMQWGLSKLHDSA-XTPLGNKUSA-N 445.606 7.163 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)c(C)c4)=NN23)cc(OC)c1OC 13769807 USRLRTYQDYXFBT-AMGIVPHBSA-N 444.531 5.572 0 40 IKAB O=C1CCSc2ccc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc2N1 14200533 VHPFYXIHMSLYJO-UHFFFAOYSA-N 431.542 5.650 0 40 IKAB COc1ccccc1OCC(=O)Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1 16742402 UYWKAWJVXOPMSR-UHFFFAOYSA-N 442.876 5.168 0 40 IKAB O[C@]1(C(F)(F)F)[C@@H]2C[C@@H](c3ccccc3)CCC2=NN1c1nc(-c2ccccc2)cs1 16957512 YEJCZMYYHNDOTN-SVMVAKDDSA-N 443.494 5.821 0 40 IKAB c1ccc(CCOc2cccc(CNc3ccc(OCCOc4ccccc4)cc3)c2)cc1 19738253 MXUFHPUBMZLXNQ-UHFFFAOYSA-N 439.555 6.378 0 40 IKAB CCOc1ccccc1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20105992 DESWQAMZMOBDSO-UHFFFAOYSA-N 435.589 5.619 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 20110772 WBZYXJATPUROMR-QFIPXVFZSA-N 428.022 7.142 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140084 ZCISNJBFFBZIAH-UHFFFAOYSA-N 440.666 5.866 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl 20142566 OHRHASUZDTZWAX-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2C)c1 20492409 WHXIIJHNJBGHEW-SFHVURJKSA-N 440.540 5.043 0 40 IKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nn12 20609747 IPIWHKORJFMWDX-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)c1 20727062 VCJXTFYXDVMAJS-QGZVFWFLSA-N 431.279 5.037 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(C)c4)ccc3o2)cc1Br 20971874 XXXQGZQRYLPNJS-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 22504934 XVUWOYGGXIWORV-UHFFFAOYSA-N 435.527 5.755 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22528587 ICVDSLUDZYPJKL-GOSISDBHSA-N 432.800 5.854 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 22534486 JLOIABAPSOHPHB-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24831355 BXIHZWJRHPBXOH-UKILVPOCSA-N 440.499 5.070 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1cccc2ccccc12 26506542 AKCIZAHFAZVOLC-UHFFFAOYSA-N 437.524 5.270 0 40 IKAB Cc1c(Cl)ccc2c([C@H](O)CNCc3ccccc3)cc(-c3ccc(Cl)cc3)nc12 31614441 QGSBHKGMFVUSRO-XMMPIXPASA-N 437.370 6.340 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2cccs2)on1 32623495 XCFLJFRLGICAPR-IBGZPJMESA-N 429.973 5.404 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1C 33536952 CRMSQROLFRCIFT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc([C@@H]2CCCN2[C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 35105634 LQKDNTCCNBXOHV-UPVQGACJSA-N 434.923 5.946 0 40 IKAB COC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2OC2CCCC2)cc1 36612793 ZLXOXHGJVWHURN-VWLOTQADSA-N 442.515 5.566 0 40 IKAB O=C(Nc1cc(F)ccc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501530 PZQQOAIJPJTNEZ-UHFFFAOYSA-N 441.384 5.260 0 40 IKAB O=C(Nc1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38543024 ZONWIYPUNADJML-UHFFFAOYSA-N 446.576 5.621 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38834481 CKBAWJXWXRAHCM-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB COc1ccc(CNc2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)cc1O 40115523 VFJKWRSXDWGRKA-UHFFFAOYSA-N 440.528 5.747 0 40 IKAB COc1ccc(-c2cc(=O)n3c4ccccc4n(Cc4c(F)cccc4Cl)c3n2)cc1 40485151 MXAAFNXRGCQWMX-UHFFFAOYSA-N 433.870 5.166 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 44855381 OMNAIQQFOBJBFM-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB CCCCOc1ccc(-c2cc3c(SCc4ccc(F)cc4Cl)nccn3n2)cc1 57510869 WCUZZXBMBJIDOM-UHFFFAOYSA-N 441.959 6.660 0 40 IKAB CCCCN(C)c1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2C(F)(F)F)cc1 58050664 JPQOLZZICKSABJ-UHFFFAOYSA-N 435.490 5.031 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)c(Cl)c1 59417569 RLUBMTBHVSGBDS-UHFFFAOYSA-N 446.384 6.543 0 40 IKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c(OC)c1 67258912 ZNXFSHMYCNMPEJ-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB COc1ccc(Cn2c(SCc3cc(F)ccc3F)nc3ccsc3c2=O)cc1 71327630 KRPNIQHHGUNMQO-UHFFFAOYSA-N 430.501 5.085 0 40 IKAB Cc1cc(C(=O)Nc2cc(-c3nc4cc(Br)ccc4[nH]3)ccc2Cl)on1 72313712 RXSDECNICHGWSD-UHFFFAOYSA-N 431.677 5.195 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(C)c1 72328547 OJIXQVNXPJRSAA-UHFFFAOYSA-N 430.577 5.669 0 40 IKAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 72330452 UPNOWJXQNJEUJY-NLFFAJNJSA-N 427.539 5.010 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1c(C)nn(C(C)C)c1C 72370490 RXUGEOFHMVEKEL-IBGZPJMESA-N 438.641 5.252 0 40 IKAB O=C1N=C(O)/C(=C\c2cc(-c3ccccc3)n(-c3ccc(Cl)cc3)c2-c2ccccc2)N1 83306370 DWNHFYDJPGKUJP-PXLXIMEGSA-N 439.902 6.485 0 40 IKAB CC[C@H](NC(=O)CCc1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 84734889 RWADQZYTTSZRKV-KRWDZBQOSA-N 448.748 5.353 0 40 IKAB Cc1c(CNC(=O)c2ccccc2C(F)(F)F)sc2nc(-c3ccc(F)cc3)cn12 90593735 HWAAWQZVHIDCII-UHFFFAOYSA-N 433.430 5.459 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc(C)c1 95945889 GFZDUAXEBOYDFK-RUZDIDTESA-N 435.527 5.510 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)COc1ccc3occ(-c4ccccc4)c3c1)CC2 96221981 LPGVIFVUCIGQES-UHFFFAOYSA-N 443.499 5.081 0 40 IKAB biogenic COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 102728695 IYGHJVDWDNIWHR-HJPURHCSSA-N 432.476 5.314 0 40 IKAB O=C(COC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccc(Cl)cc1 103267796 AOLIKTGQXBUVJN-XCGOXOSTSA-N 437.967 5.038 0 40 IKAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 107643966 OMBDLFMIRCXAEY-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CSc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 219959835 YBWUZHXDSRHZSA-UHFFFAOYSA-N 430.617 6.116 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223075752 VJYYAFOZJPNLIB-QFIPXVFZSA-N 436.640 5.559 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 223301201 FMCNSOCPHXUXCL-WNCULLNHSA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223321405 ISENZCOTEAPPEG-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223362233 GFGRSTYBYLYNAS-ZEQRLZLVSA-N 445.544 5.506 0 40 IKAB O=C(NCCOc1ccccc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 223394695 QLDSYGUINGJTJD-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 223489347 GCBXQDIDRJONSN-PKTZIBPZSA-N 445.979 5.093 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc(Cl)c3)c(Cl)c2)cc1 224093359 KRMWAEHFQQXOLG-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224213873 QSPIFLMGFXEATK-UHFFFAOYSA-N 441.571 6.562 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)(C)C 224509387 CJLUNMOVNJUPKG-UHFFFAOYSA-N 445.603 7.338 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc2ccccc2c1 224646161 HLOHKGJLFJUWRU-UHFFFAOYSA-N 439.555 6.995 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N3CCc4ccccc4C3)o2)c(OC)c1 224936964 YALMASOZKGRDKB-UHFFFAOYSA-N 440.499 5.224 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 224952691 QYQLGSVISIFFOL-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225118133 FUAKUGKLCXWSIE-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225363031 NSEPLXDUWVXSDR-RPBOFIJWSA-N 446.620 5.963 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225574283 MJLQSNUJOHTWRB-RDGATRHJSA-N 438.612 5.185 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@@H](C)C1 225667206 PLCUAPWENSQKTF-HXOBKFHXSA-N 425.997 5.848 0 40 IKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@@H](C3)[C@H]21 250408008 SPTILVJSMGMUBZ-SXFIUEQBSA-N 428.326 5.452 0 40 IKAB COCC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCCCC3)CC2)C1 257208758 BNMOQIUQAMCKOK-UHFFFAOYSA-N 442.644 5.028 0 40 IKAB COc1cccc(C(=O)N(C)[C@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)CC2)c1 257270523 MUPHTFWYFNZTMV-QHCPKHFHSA-N 442.559 5.129 0 40 IKAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC2CCCC2)CC1 257270749 MVNGIDJPTKPUFG-UHFFFAOYSA-N 432.608 5.173 0 40 IKAB O=C(N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1)C1(c2cccc(F)c2)CCOCC1 257317987 VMAPIDWMEBMTTL-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 408578519 YIQCMOFZZVTVEE-HNNXBMFYSA-N 440.392 5.415 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 408635953 KIKIKDCXGWZUGT-UHFFFAOYSA-N 438.500 5.285 0 40 IKAB CN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Br)c2)C1=O 408811259 APNAKKFSFUJJPD-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccc(F)cc2)=N[C@@H]1c1ccccc1 408990992 PGZOFRXZRJPDRI-HSZRJFAPSA-N 446.547 5.734 0 40 IKAB Oc1nc(-c2ccc(OCc3ccccc3Cl)cc2)nc2sc3c(c12)CCCCC3 408993648 WYIGJJRIKRTWSK-UHFFFAOYSA-N 436.964 6.565 0 40 IKAB Cc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409114279 IRRHIZYOEXRYCC-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409178746 HYEYMLHQFXWDLR-WPFQWDPVSA-N 442.990 7.197 0 40 IKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 409258593 UVEZHKIYWPWILS-UHFFFAOYSA-N 441.314 6.287 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccccc3Cl)cc2)cc1 409356748 GJYZYKXPFMZTDV-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409375543 MJIULJVMSDMXCP-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB COc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1OCc1ccc2ccccc2n1 511939340 CPXAFDYUJQROLE-UHFFFAOYSA-N 439.471 5.524 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)C[C@@H]1CCCCO1 643582298 QZKYHDWRGOYPSP-ZEQRLZLVSA-N 436.596 5.394 0 40 IKAB Cc1c(-c2nnc3sc(-c4cccc(C(F)(F)F)c4)nn23)cnn1-c1ccccc1 632867 GDGTXTCOTCMNSP-UHFFFAOYSA-N 426.427 5.033 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)c1 1326147 HAJQCKVADWLSIM-LBPRGKRZSA-N 425.579 5.058 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327669 AFTLCQBEOTVVPH-UHFFFAOYSA-N 445.494 5.300 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccn2)nc1-c1ccc(Cl)c(Cl)c1 1402836 DWPWJAHCNXMFAP-UHFFFAOYSA-N 442.327 5.345 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3)cc3cc(OC)c(OC)cc23)cc1 1464592 CQRYVGIOUBBYEZ-UHFFFAOYSA-N 427.500 6.175 0 40 IKAB CCN(CC)CCOc1ccc(C2=C(c3ccccc3)CCc3cc(OC)ccc32)cc1 1696475 LMNAQEJWMWBYLC-UHFFFAOYSA-N 427.588 6.321 0 40 IKAB O=C(N[C@@H](Nc1cccc2ccccc12)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2066240 KRBZQXNCVKMQGA-GOSISDBHSA-N 428.146 6.031 0 40 IKAB O=C1c2c(sc3c2CCCC3)N[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 2171001 XXDJCBYMKKFJDL-HSZRJFAPSA-N 445.975 6.600 0 40 IKAB CN(C)c1ccc(-c2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)cc1 2336041 GSVPEKOGBSLBRL-UHFFFAOYSA-N 431.499 5.938 0 40 IKAB Cc1nn2c(SCC(=O)Nc3ccccc3)cc(C(C)(C)C)nc2c1-c1ccccc1 2405016 VVRPUNUQYXQIDH-UHFFFAOYSA-N 430.577 5.733 0 40 IKAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)O[C@H](c1ccccc1)c1ccc(Cl)cc1 2631208 AWAFRTBWWXTBLQ-RUZDIDTESA-N 436.891 5.407 0 40 IKAB Cc1ccccc1NC(=S)Nc1ccc(Sc2ccc(Br)cc2)cc1 2661459 UCTIQUJIHQQLQE-UHFFFAOYSA-N 429.408 6.718 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccc(F)c(F)c1 2662082 GAKGWNXZKBYHBG-UHFFFAOYSA-N 427.501 5.308 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 2671005 JJXDIZVRLIHJAL-UHFFFAOYSA-N 442.877 7.207 0 40 IKAB O=C(Nc1ccccc1)N1CCc2ccccc2[C@@H]1Cc1ncc(C(F)(F)F)cc1Cl 3105468 LIYNJSOXIQLZNA-NRFANRHFSA-N 445.872 6.128 0 40 IKAB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3s2)nn1-c1cccc(Cl)c1 3253482 AEVWKJXHQGDWMX-UHFFFAOYSA-N 449.004 6.677 0 40 IKAB Cc1ccc(-n2nc(C)c3c2N=C2C(Cl)=CC(Cl)=CN2[C@@H]3c2ccccc2C=O)cc1 3290033 MBNYTADRMBGCHF-JOCHJYFZSA-N 449.341 5.953 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)N(C)CCOc3ccccc3)cc12 3294721 IJAZGOYYKRSYCN-UHFFFAOYSA-N 425.941 5.200 0 40 IKAB CCN(C(=O)CSc1nnc(NC2CCCCC2)s1)c1cccc2ccccc12 3295087 RLWPMNYYOWGCFC-UHFFFAOYSA-N 426.611 5.581 0 40 IKAB O=C(COc1ccc(NC(=O)c2cccs2)cc1)Nc1ccc(SC(F)F)cc1 3313445 ZUBQKYHIYRLOLP-UHFFFAOYSA-N 434.489 5.333 0 40 IKAB Cc1cc(C(=O)CSc2nn(-c3ccc(Cl)c(Cl)c3)c(=S)s2)c(C)n1C 3427861 ZWVHEDNGHWHKBY-UHFFFAOYSA-N 444.434 5.900 0 40 IKAB C[C@H](Nc1c(F)c(F)c2nc3c(cc2c1F)c(-c1ccccc1)nn3C)c1ccccc1 8453513 DWBWXHPDPJXFIZ-AWEZNQCLSA-N 432.449 6.379 0 40 IKAB CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N\c1ccccc1 8738778 FNIIDLFBVQRTOZ-QPLCGJKRSA-N 447.629 6.871 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 8914462 BPZFMWSMSUEHFK-UHFFFAOYSA-N 429.875 5.085 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)c(Cl)c1 9142375 JUOHSSPTBLWZJX-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1C[C@H]1CCCO1 9206972 AOPSAUVBHSHMCY-UZLBHIALSA-N 425.941 5.209 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnc3n2CCCCC3)cs1 9218622 SDFRJTBCFHNWMF-UHFFFAOYSA-N 433.990 5.091 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)c3nnc(-c4ccccc4)o3)cc12 9283112 CKUAYZPVHCEDOM-OAHLLOKOSA-N 430.489 5.363 0 40 IKAB CCOc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 9561434 OXWSHWQMKWQHSC-OAQYLSRUSA-N 441.865 6.268 0 40 IKAB Cn1cnnc1Sc1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1 9592388 IGPWQVPNAFDFCU-YCRREMRBSA-N 438.862 5.290 0 40 IKAB CCc1ccc(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc(N3CCOCC3)n2)cc1 9708827 SRQLSNRDWBUOOF-UHFFFAOYSA-N 445.354 5.065 0 40 IKAB Cc1nc(-c2cccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)c2)cs1 9751835 ALJYWDOXHHKOPH-UHFFFAOYSA-N 433.533 5.484 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)c(Cl)c3)nc(N3CCOCC3)n2)cc1Cl 9762061 PEQRLXMGJRWCEW-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@H]3c3nc4ccccc4s3)c2)cs1 9884358 MGBGAJKGIWEZED-FQEVSTJZSA-N 434.590 5.504 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1OC 12192900 QCAJQTVUTNCVIG-UFHPHHKVSA-N 442.559 6.507 0 40 IKAB COc1cc(-c2nnc(SCc3nc(-c4ccccc4)oc3C)o2)cc(OC)c1OC 12471194 FQOFRTXARPQCKF-UHFFFAOYSA-N 439.493 5.018 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1 12493892 UZOCBFRFPFOENV-FQEVSTJZSA-N 448.636 6.110 0 40 IKAB CSc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561636 ARYRJVRHRUXSRY-OFVILXPXSA-N 430.529 5.422 0 40 IKAB Cc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN23)c1 12617453 BUTAOKSAUSHZIE-NQIIRXRSSA-N 425.351 6.061 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)N1N=C(c2ccco2)C[C@H]1c1ccco1 12697981 XWHZGSQPVKDFQC-SFHVURJKSA-N 435.530 5.466 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)o2)c1 13120965 RPSXCYXSQQOKGL-HNNXBMFYSA-N 438.578 5.275 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)c(C)c1 13145484 DIMCQRUUQGMYDH-UHFFFAOYSA-N 433.533 5.116 0 40 IKAB C[C@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@@H](C)O)c3)c2)c1 13151348 VGFLXUCCRNYIKX-IYBDPMFKSA-N 434.496 5.081 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 13568336 ITBOXBPTAKOARA-UHFFFAOYSA-N 445.563 6.085 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 16215161 ZTFGVEUGAVEJJL-UHFFFAOYSA-N 427.938 5.238 0 40 IKAB C=Cc1ccc(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)cc1 17097268 QBAKEGNCJPSJCO-UHFFFAOYSA-N 430.935 6.579 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 19637664 VGMUTSHCPIBOPQ-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2Cc2ccc3ncccc3c2)c1 19689521 GNGMYYMCVGYKLI-RUZDIDTESA-N 439.563 5.104 0 40 IKAB O=C(COc1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19823403 ZNUYQHSNTGKZDE-UHFFFAOYSA-N 436.555 5.152 0 40 IKAB Cc1nc(-c2ccco2)nc2sc(C(=O)NCc3ccc(OC(F)F)cc3)c(C)c12 22508483 AYPOXJKDMUQFDY-UHFFFAOYSA-N 429.448 5.100 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)cc2)cc1 30853578 UFPNRIGVKBDZMD-MUUNZHRXSA-N 437.608 7.115 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc1OC 32115433 DFJGJVHKASYRQQ-UHFFFAOYSA-N 427.570 5.074 0 40 IKAB O=C(Nc1ccc(OS(=O)(=O)c2cc(Cl)sc2Cl)cc1)c1cccs1 32549146 ZBZNLTRAHPGHPU-UHFFFAOYSA-N 434.347 5.136 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)c(C)c1 33714820 YZAWCDMYRMASQQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1Oc1ccccc1 34701086 AZXUPOSZUTWDQD-UHFFFAOYSA-N 429.516 5.117 0 40 IKAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(Cl)cc4)c3c2=O)cc1 35400616 NBWNBERNMLHTCM-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646118 BOCVJFZGFVMNPJ-ZDLGFXPLSA-N 433.291 6.284 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352234 OMRRETJWKNWXNK-VWNXMTODSA-N 440.877 6.259 0 40 IKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc5c(c4)OCCCO5)c3cc12 36370009 GVKPXLKKRLVABN-UHFFFAOYSA-N 434.444 5.002 0 40 IKAB biogenic O=C(Nc1cccc(-c2nc(C3CC3)no2)c1)c1cccc(NC(=O)C2CCCCC2)c1 40153015 JQBZXRDDOSLZJM-UHFFFAOYSA-N 430.508 5.385 0 40 IKAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44852567 SWQVWKNINNJWDY-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c(C)c1 57473447 QDCBVBJQNWBYJH-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB Cc1ccc([C@@](O)(CCNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)C(F)(F)F)o1 58440042 XSZICCRPAXQMHX-HXOBKFHXSA-N 448.485 5.186 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 67197134 FJLCOAMSRPOSOM-JTHBVZDNSA-N 435.321 5.700 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349872 AGCVXJSDKZIWPH-QGZVFWFLSA-N 445.510 5.476 0 40 IKAB COc1cc(C(=O)N(c2cccc(Br)c2)C2CCCCC2)cc(OC)c1OC 83921360 ZWYPMLAJTFGZIU-UHFFFAOYSA-N 448.357 5.454 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(F)cc1F)c1ccccc1NC(=O)c1ccc(F)cc1F 95443740 FBCPVCBZNIBULC-JOCHJYFZSA-N 444.428 5.622 0 40 IKAB CN(Cc1nc(-c2cccc(Br)c2)no1)C(=O)c1ccc(Cl)cc1Cl 95482191 NBGNNAWYGPLSFM-UHFFFAOYSA-N 441.112 5.078 0 40 IKAB COC(=O)c1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1OCc1ccccc1 95937880 SMEBJNVEDZKFJN-UHFFFAOYSA-N 449.522 6.313 0 40 IKAB O=C(Nc1cnn(C(F)F)c1)c1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1 95944916 OVLUZXDAKRADPG-UHFFFAOYSA-N 425.222 5.090 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357656 CMYZJTCFVLKXIV-UHFFFAOYSA-N 448.529 5.261 0 40 IKAB CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 105363906 OLBNGLBVDWDALE-POIIVSEQSA-N 441.568 5.380 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCCOc4ccccc4)c3)C2=O)cc1 214483722 BZIICGKSUDEGLG-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)c1 216059963 CGQCOSYFEGTYGR-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 223283108 QQUKUMNXUUQERU-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc4ccccc34)c2)cc1 224079466 SLQCUTWYQRMYTL-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224102241 IPPHGKZLFLXMAJ-MHZLTWQESA-N 442.603 5.012 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224211794 XRLZFFAQCZHHQF-LJQANCHMSA-N 437.967 5.987 0 40 IKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(-c2ccccc2)cc1 224222409 SLFRTMXGUNISIU-UHFFFAOYSA-N 449.550 6.140 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224595606 FCNZSBMVJYIBDT-XMMPIXPASA-N 440.653 5.365 0 40 IKAB CCN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224619022 CPGZKVFPPQWQOD-UHFFFAOYSA-N 429.152 5.524 0 40 IKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224634452 TYTUCGBUESGKQB-IBZADVPGSA-N 432.589 5.392 0 40 IKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 224842011 UHAHWQONBHGYCJ-UHFFFAOYSA-N 430.891 5.797 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1C 225188138 ARURCCKJTRKARL-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225269663 ZENOVSCFJXGLIB-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225608937 QMTVNGSERRHVGW-DVECYGJZSA-N 443.031 5.557 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 225718624 MLQQLUCCUBPFDN-QHKNXTSZSA-N 432.589 5.731 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCOCC2)ccc1O[C@H](C)CC 225772232 SXSSZZKECKXRGF-LJQANCHMSA-N 439.552 5.036 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1nc(Cl)cc(N2CCCCC2)n1 225984402 DXDCRVZJOYMILU-UHFFFAOYSA-N 444.048 5.309 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)c2ccccc2)c1 257206989 BFTBKYJLBLXPMS-GOSISDBHSA-N 437.923 5.515 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 260759364 GGPAICZCBMEQKF-SMHULIPUSA-N 429.376 5.768 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2cc(Cl)ccc2C)cc1OC 408559207 XYFKCPAEEMKUQU-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(F)cc1 408564622 ZXWGIPOCEXXYHW-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408572219 HJWYWLWZLFKDMT-FMIVXFBMSA-N 429.257 5.512 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1C 408640314 ITTCRNWCBLQJPI-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408696706 DRSNBOOUXUKGDB-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1cccc(Cl)c1 408697537 KHVFGQSJZPPVJY-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc(Cl)c2Cl)C1=O 408800534 NRWPAGKEPUQMHM-IAQFMYDQSA-N 446.423 7.047 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408919374 WZQOOGNSKUDFHM-ZKKFKWFVSA-N 434.322 5.396 0 40 IKAB O=C(CSCc1ccccc1Cl)NCCSCc1c(Cl)cccc1Cl 409026935 IPNZHKXVHCGYOK-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1ccc(COc2ccc([C@H]3C=C(c4ccc(Cl)cc4)N=C4N=CNN43)cc2)cc1 409059951 ZCEOIHBYPLFCJS-XMMPIXPASA-N 428.923 5.528 0 40 IKAB CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409110488 COEXOYNDBKZUQE-UHFFFAOYSA-N 448.657 6.926 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(=O)OC(c3ccccc3)c3ccccc3)cc2)cc1 409175943 FINPSUJVVKTGGD-UHFFFAOYSA-N 437.495 5.894 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Cl)c(Br)c1 409194481 CHJCZVZYKMTIDU-UHFFFAOYSA-N 435.568 5.596 0 40 IKAB CC(C)c1ccc(-c2cc(C(=O)N3CCN(c4ccccc4)CC3)c3ccccc3n2)cc1 649322 ILGZWOWUMANFDQ-UHFFFAOYSA-N 435.571 5.988 0 40 IKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 703844 FLJWKBXFQIXKNW-UHFFFAOYSA-N 432.270 5.188 0 40 IKAB biogenic CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@@H]1c1ccc2ccccc2c1 998167 VNYQFBORJCQSIA-VWLOTQADSA-N 437.499 5.150 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Cl)c(Cl)c2)s1 2337554 OJVHVRNIRBEUAJ-UHFFFAOYSA-N 434.135 6.463 0 40 IKAB CC(C)(C)OC(=O)COc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1 2428933 AYWNZKPVTYNEQL-UHFFFAOYSA-N 447.281 5.068 0 40 IKAB biogenic Cc1ccc([C@@H](Nc2cccc(C(F)(F)F)c2)P(=O)(OC(C)C)OC(C)C)cc1 3109476 NQRQSCJVSDBJJQ-FQEVSTJZSA-N 429.419 7.168 0 40 IKAB Cc1cccc(C)c1N(C(=O)Cc1c(Cl)cccc1Cl)c1nc2ccccc2s1 3294141 WTLQIAFSPNBVIM-UHFFFAOYSA-N 441.383 7.127 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccc2ccccc2c1 3663898 SWRZAFUFPIBUEP-QHCPKHFHSA-N 429.317 6.373 0 40 IKAB CC[C@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 4087478 ZYTYGNLZPYWFKU-RNXZQOMOSA-N 430.662 5.507 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 8386287 LLORFBORMOJBGD-OAQYLSRUSA-N 429.720 6.597 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 8439228 YAYUUHOCXZPGJS-UHFFFAOYSA-N 429.538 5.506 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CSc2ccc(NC(C)=O)cc2)cs1 8752339 JLDPXASWVOYBPJ-UHFFFAOYSA-N 427.551 5.087 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 8791720 QWJUOUBWSUOISF-LJQANCHMSA-N 445.515 5.051 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 8816359 LVNFFVBQVXCECR-UONOGXRCSA-N 435.929 5.075 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 8856843 XQBPOHVYRCPCHP-UHFFFAOYSA-N 426.903 6.571 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1Cl)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 8893599 CCQUTYMYCUNAEM-LBPRGKRZSA-N 427.888 5.117 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 9054312 QZINUEPRGFBGKC-XUZZJYLKSA-N 435.568 5.083 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063339 OTCQULZVHCXOLO-UHFFFAOYSA-N 437.008 6.342 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c(=O)c12 9219021 YCFULQFJDRGXSI-PWSUYJOCSA-N 446.623 5.846 0 40 IKAB Cc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 9243778 CCTDKNRYPZBPTC-DEOSSOPVSA-N 444.922 5.193 0 40 IKAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1 9289550 MWIFRWVVZXFJLL-MHZLTWQESA-N 435.527 5.003 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3cccc4ccccc34)c(=O)c3ccccc3n2C)cc1 9450396 UZDFSRHIULMBOE-UHFFFAOYSA-N 434.495 5.620 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccnn1Cc1cc(Br)cs1 9712887 NREOHJHBQRUDBK-UHFFFAOYSA-N 442.338 5.170 0 40 IKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4cccc(Br)c4)nc32)cc1 9933402 BETZJKSUSDBQIY-UHFFFAOYSA-N 446.270 6.486 0 40 IKAB Cc1cc(Cl)ccc1OCCCC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 9934504 QZFLMMDOIOJKKH-UHFFFAOYSA-N 440.893 5.175 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(C(=O)O)cc1 10489960 FOZFSVFVLIFDHB-UHFFFAOYSA-N 430.485 5.438 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OCC 12627633 ZDLVOUKUJVZPIV-LJQANCHMSA-N 427.932 5.381 0 40 IKAB C[C@@H](OC(=O)CCSc1ccccc1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13072306 CJBWWOMMUYIIGT-CYBMUJFWSA-N 448.516 5.141 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4ccc(Br)cc4F)c(=O)c23)cc1 13100731 UHYSWDSETBKWCR-UHFFFAOYSA-N 429.314 5.383 0 40 IKAB Fc1cccc(-c2cc3nc4c(c(N5CCC(Cc6ccccc6)CC5)n3n2)CCCC4)c1 13562810 JELMBTSKGNZUMM-UHFFFAOYSA-N 440.566 5.873 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl 13568057 YPZFGODCJJZYPO-UHFFFAOYSA-N 444.274 5.223 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 13871357 QPAAOBIPBDVRJS-OAHLLOKOSA-N 444.988 5.210 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Br)cc1 13946056 YJRSQFJJYWVLQN-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB C[C@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12)c1ccco1 14123343 AGLJKCHLSWVRAZ-AWEZNQCLSA-N 426.567 5.018 0 40 IKAB CCC(=O)Cc1csc(NC(=O)COc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 14944529 YAHIZEASRONUHP-UHFFFAOYSA-N 438.593 5.150 0 40 IKAB CCc1ccc(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 15280381 KQQPEDBJVCLPCY-UHFFFAOYSA-N 432.303 5.217 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)cc1OC 15729412 XLDKTZXYBFNPNE-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic O=C(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)NCCc1c[nH]c2ccccc12 16848898 ZFCDEOZPSONUFO-UHFFFAOYSA-N 448.979 5.489 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 19637075 LOXIPFICLOBXFJ-NVXWUHKLSA-N 442.625 5.529 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 19648281 FWWMPPFKHBACRS-INIZCTEOSA-N 448.950 6.988 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 20111094 RPQCDOCDIJAERR-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB COc1ccc(-c2nn(-c3ccc(C)cc3)c3c2cnc2cc(OC)c(OC)cc23)cc1 21017705 NYTIWCKMFGEZEJ-UHFFFAOYSA-N 425.488 5.575 0 40 IKAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 21138722 DKCTUNWODVLOGU-UHFFFAOYSA-N 432.505 5.003 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccccc3SCc3noc(C)n3)n2)c1 24843005 FODTYIVLFBUOSO-UHFFFAOYSA-N 436.562 5.663 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C)cc1)CC2 24924035 FRHRICKQKHAGBQ-MZNJEOGPSA-N 437.561 5.015 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 30850010 OXJJTHNCGZSKSM-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@@H]12 31542827 UVFOSIJDDUBTBX-NPUOQVLBSA-N 426.729 8.025 0 40 IKAB biogenic Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)o2)c1 33659580 MXUABWLQRLVLPU-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 33821791 HCCASHTVIJTISL-XPWALMASSA-N 448.902 5.189 0 40 IKAB CC(C)c1nc2cc(NC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)ccc2o1 48301066 MWKKQNMUQHWMGH-KRWDZBQOSA-N 449.454 5.412 0 40 IKAB COc1ccc(C2=N[C@@H](c3ccc(Br)cc3)N=C(c3ccccc3)S2)cc1 59488719 HAOCVUPWBGQENG-FQEVSTJZSA-N 437.362 6.097 0 40 IKAB CCOc1cccc([C@@H](C)NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(C)C)c1 60184166 QMAWEPXKZGNILO-OAHLLOKOSA-N 446.473 5.299 0 40 IKAB CCOc1ccc(OCc2nnc(S[C@@H](C)C(C)=O)n2-c2ccc(C)c(Cl)c2)cc1 72105718 DCKDDGABGPKWEG-INIZCTEOSA-N 445.972 5.276 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccc(N(C)C)cc2)n1 72390736 GVUMFDGNEPFZOF-JOCHJYFZSA-N 447.583 5.134 0 40 IKAB O=S(=O)(c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1)N1CCCCC1 82087275 PWEOXSDLUQRVKX-UHFFFAOYSA-N 436.961 5.444 0 40 IKAB COc1cccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2cccc(Br)c2)c1 89467218 HESHLERGDLIIJS-IBGZPJMESA-N 425.282 5.042 0 40 IKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3c2C1 89930066 CPASXRHKHCJPGU-OAHLLOKOSA-N 426.545 5.921 0 40 IKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1ccccc1C(F)(F)F 215739598 VQXSILPZRXVHJM-DTQAZKPQSA-N 445.828 5.415 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=O)CCCN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 219472985 GPTMNHYIVGHDGZ-OAQYLSRUSA-N 444.531 5.007 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960845 FSJQUFWWKRJGJX-UHFFFAOYSA-N 440.631 6.825 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C 222943659 RIAZEBHSSLCKAR-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223658038 QUYVLGNCGHRMGW-XMMPIXPASA-N 440.653 5.509 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223811463 OCTCKKDKMSHAPY-QFIPXVFZSA-N 448.651 5.701 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223872335 SBALEFZNZKORSW-PKTZIBPZSA-N 431.492 5.363 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1C 223979774 IQLQGDQMRLRDHV-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3cccc(Cl)c3)c2)cc1 224104811 IWHHGYHCDLWVNY-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)c1 224558324 FTPRXARUUBAHAV-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224672839 BVHIAKVHSVBQDQ-IBGZPJMESA-N 426.988 5.139 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224704140 PXCSUBIJHHLPOA-NRFANRHFSA-N 433.017 5.012 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224865614 NGDQMKWNSCEEKW-VXKWHMMOSA-N 438.984 5.534 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)c1 224899711 HQLWDZZQYNOCEW-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB COc1ccccc1C(=O)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253264 VKGQYSQTZAVLTD-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 225640054 RHZAVJUVSDDSFJ-XMSQKQJNSA-N 445.003 5.058 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC(Oc2cccc3cccnc23)CC1 238840916 HUBHBPZYLQJIEV-UHFFFAOYSA-N 436.555 5.827 0 40 IKAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)c2)c1 257223124 DVYHZKIWIBXVKH-HXUWFJFHSA-N 446.595 5.116 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl 408556231 JCIZZMFIPFTJHR-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccccc1Br 408562462 PSNTWGZIGPPONU-LNVKXUELSA-N 429.383 5.665 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(Cl)cc1C(=S)NCCc1ccccc1 408577842 UTHRZCVOEHZBJW-UHFFFAOYSA-N 434.363 6.219 0 40 IKAB COCCNC(=S)c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 408578196 WQLGTFMWGPGNJP-UHFFFAOYSA-N 449.197 5.246 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)ccc1NC(=O)c1ccc(Cl)cc1 408602296 CSYXFPXJYGQGNU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)cc2Cl)cc1)Nc1ccc(Cl)cc1 408610669 RGWYYKCOMFQYHN-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1F 408614214 ZURAGFYZVFGBMM-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Br)cc2)c1 408699634 VIJPLRNBDLFQSU-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(C(C)C)cc2)cc1-c1ccc2ccccc2c1 408726035 RNJRAMGIIBCSQX-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408974023 VBLSAWSSPSONOH-AREMUKBSSA-N 430.573 5.372 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 409113576 HMIRNUBIPLBEHJ-UHFFFAOYSA-N 429.491 6.818 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409258191 UDFYGRUWIOMXEV-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(=O)N1[C]2C=CC(c3ccc(C(=O)O)cc3)=CC2=C(Nc2ccc(Cl)cc2)C[C@@H]1C 1560408753 BZGDYNGGPHEYPD-HNNXBMFYSA-N 433.915 5.530 0 40 IKAB CC(C)(C)n1ccc([C@H]2C[C@@H](COc3ccccc3)N[C@H]2c2ccc(C(F)(F)F)cc2)n1 2037844027 LBDQTEDJCZPDKI-WPYKKVEZSA-N 443.513 5.923 0 40 IKAB COc1ccc(-c2csc(N3CCn4c5c(c6cc(C)ccc64)CCC[C@@H]53)n2)cc1OC 1075451 QCAAVDMBZSQLLQ-QFIPXVFZSA-N 445.588 5.988 0 40 IKAB CC1(C)Oc2ccc(C(=O)N3CCCCCC3)cc2N(Cc2ccc(Cl)cc2)C1=O 1355327 DTIBHDFIHPJCMH-UHFFFAOYSA-N 426.944 5.060 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NCCC1=CCCCC1 1367679 OOXYKBZKGMTXEA-UHFFFAOYSA-N 437.996 6.049 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)cc2c1 1371569 KAAISXYFQLNQRW-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c1 1377458 WCGZORPXLOCKOI-UHFFFAOYSA-N 439.606 5.627 0 40 IKAB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 1828760 NSUAISKJGHSCEF-NDEPHWFRSA-N 431.576 6.053 0 40 IKAB biogenic O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1909319 FHJNANZYTLDRKG-UHFFFAOYSA-N 444.712 5.351 0 40 IKAB Cc1cc2c(cc1C)-c1c(sn(-c3ccc(Br)cc3)c1=S)C(C)(C)N2 2070715 BFMAFTYVDXYFKJ-UHFFFAOYSA-N 431.424 6.975 0 40 IKAB O=P(Nc1ccnc(Cl)c1)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 2077948 GHDLOWMOMSSJBQ-UHFFFAOYSA-N 429.627 6.720 0 40 IKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)c3ccccc3F)c3ccccc3c21 2288402 HRNHIFDYXJHCPN-UHFFFAOYSA-N 447.506 6.438 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc23)cc1C 2291523 KWCZWPBMAODGBP-UHFFFAOYSA-N 435.531 5.642 0 40 IKAB CCCCCCn1c(O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(=O)c2ccccc21 2311827 MQEPAYGJWGUSGX-UHFFFAOYSA-N 433.335 5.847 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012857 ABBREFQWGCYLPZ-JSGCOSHPSA-N 445.228 5.696 0 40 IKAB COc1ccc(C(=O)N2c3cc(C)ccc3-c3c(ssc3=S)C2(C)C)cc1OC 3014308 IROQUTOSFREPRF-UHFFFAOYSA-N 443.615 6.427 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Sc1cccc2cccnc12)c1ccccc1 3172516 HWDRELOPUZEYEF-UHFFFAOYSA-N 444.541 5.130 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)c1 3277915 FNTZLLQTBHCKJI-HXUWFJFHSA-N 429.394 5.251 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc(CC)c1-c1cccs1 3350309 SOCLSFJZNAAOOE-UHFFFAOYSA-N 441.618 6.766 0 40 IKAB CN(C)c1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 3359273 FIQXQONLQVSRBA-UHFFFAOYSA-N 427.426 5.276 0 40 IKAB CSc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)cc2s1 3399711 LBTQCAHCERESBK-UHFFFAOYSA-N 442.997 5.786 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccccc2)nc2ccc(Cl)cc12 3664325 KMTPDJUVBLZXOO-UHFFFAOYSA-N 437.724 6.570 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1COc1ccccc1 8429325 YVPJIUXPKGYARW-UHFFFAOYSA-N 425.532 5.057 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(Br)cc3)sc2c1 8903136 GEOLSCYNCSPQBS-UHFFFAOYSA-N 433.327 5.268 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccccc2Cl)cc1 9067972 ZDVFMUKSJKBTKY-UNMCSNQZSA-N 429.734 6.889 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccc(Cl)cc1 9070874 LLDZISHWTHZFDW-UHFFFAOYSA-N 432.336 5.614 0 40 IKAB Cc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@H](c2ccc(C(C)C)cc2)C1=O 9130181 UXJVKMZKEWLYKF-RUZDIDTESA-N 432.951 5.893 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)N[C@H](c1ccccc1)c1cccs1 9205145 BANMWEVLICVCJQ-LJQANCHMSA-N 438.603 5.341 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9288237 TUHCLXGIDDEWGP-SANMLTNESA-N 436.559 6.396 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Cl)c(Cl)c1)c1cccs1 9328073 QFJYWUMZGBXJLT-UHFFFAOYSA-N 432.353 6.549 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)c(C)c1 9394364 HLNACHTWAWAQCD-UHFFFAOYSA-N 432.564 6.485 0 40 IKAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)N1c2ccccc2Sc2ccccc21 9435918 BQSWYERLIRFXPU-UHFFFAOYSA-N 434.908 5.903 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 9644093 AAPQTQBBCFLVAK-NRFANRHFSA-N 449.601 6.179 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc2ccccc12 9729993 MJSZZEXLCGULHB-GOSISDBHSA-N 442.588 5.327 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C[C@@H](C)CC(=O)NCc3ccc(C)o3)ccc21 9805898 LKOSAURJHJLPRS-KRWDZBQOSA-N 431.536 5.387 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl 9816819 VOYXMAHMUYCGAO-FQEVSTJZSA-N 442.972 5.139 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(OC(C)C)c4)cc3)oc2c1 9892044 GIABJZJTZSRYQN-UHFFFAOYSA-N 445.544 5.717 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 10021537 WOYHKAGYIMSXER-VGOFRKELSA-N 447.608 5.311 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 10142095 ZMDHLUQRBMDDRE-RTBURBONSA-N 449.620 5.130 0 40 IKAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1NS(=O)(=O)c1ccccc1 10314636 PREOQTZBLHGJLO-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cc4c(cc3Cl)OCO4)s2)c1C 10557560 QSHCANCFHDFEOL-UHFFFAOYSA-N 448.957 5.011 0 40 IKAB CCc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 12130193 JYIWNOWFQQNUMD-RCZVLFRGSA-N 429.907 5.251 0 40 IKAB CCc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12413313 VENHZHUFMIOCPA-RUZDIDTESA-N 448.975 5.382 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 12551505 LEKRMUWVRVQSGJ-SANMLTNESA-N 447.538 5.709 0 40 IKAB C[C@@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 12592356 MCZAIEDUWMCLBD-OAHLLOKOSA-N 435.940 5.102 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 12797097 HRNKJOSWCHMQCW-OAHLLOKOSA-N 440.902 5.132 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4cccc(Br)c4)o3)no2)cc1 12896973 DRSLKIBKYFBNPT-UHFFFAOYSA-N 449.717 5.495 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 13512447 XTVOOFBBGVVFRU-INIZCTEOSA-N 448.548 5.195 0 40 IKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13525108 KVUSJJOXGOMDEH-UHFFFAOYSA-N 435.567 7.235 0 40 IKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 13563493 YMAUOWKZFNZVSE-TVPUMLRDSA-N 433.573 5.503 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)cc2)cc1 13928585 SILXMVAIJWSBKC-XKZIYDEJSA-N 448.316 5.681 0 40 IKAB Cc1cc(NC(=O)c2sc3ccccc3c2Cl)cc(-c2nc3ncccc3o2)c1O 13946354 XUYKCKNDPOIOQO-UHFFFAOYSA-N 435.892 6.024 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1F 14270951 MACZYKVNNVMSIQ-UHFFFAOYSA-N 447.539 5.118 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)c(F)c1F 14271979 PJYUORVKXBPDKP-UHFFFAOYSA-N 446.425 6.089 0 40 IKAB COc1cc(OC)cc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)c1 15881800 DVBAOPMPIJIXJK-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(F)cc1Cl 16214752 ODWYTGSOXZSCRH-UHFFFAOYSA-N 429.875 5.055 0 40 IKAB Cc1cccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-n3cccc3)c2=S)c1C 16807136 YVJIFESVDVLKJR-UHFFFAOYSA-N 437.956 5.103 0 40 IKAB Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 17095086 POMSHNKGWLIECI-SXOMAYOGSA-N 426.585 6.201 0 40 IKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 17096118 OPKXTNAJFNGRMU-INIZCTEOSA-N 428.598 5.429 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 17988276 JWIGEAVWLYRBQQ-ZEQRLZLVSA-N 425.484 5.252 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 19908595 ZLAHWROHXQEFNB-GGXMVOPNSA-N 430.507 6.106 0 40 IKAB Cc1cccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3C2=O)c1 20095904 WVJUEJAFUFHZOS-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 22534278 LQERHBDYKCHIPT-MHZLTWQESA-N 443.518 6.032 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(NCc4ccccc4)s3)o2)cc1C 23883442 YJCXDIYNEBVPSV-UHFFFAOYSA-N 429.596 5.425 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)no1 24578238 QOIROXYXGJGNTQ-UHFFFAOYSA-N 448.982 5.761 0 40 IKAB Cc1oc(-c2cccs2)nc1CN(Cc1ccc(C(=O)NC2CC2)cc1)Cc1ccco1 27576329 AJHVNRKFCYUCBA-UHFFFAOYSA-N 447.560 5.399 0 40 IKAB Cc1ccc(N(Cc2cccs2)C(=O)c2oc3ccc(Br)cc3c2C)cc1 27663216 LITGWLOUUJTVBR-UHFFFAOYSA-N 440.362 6.721 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2ccc(OC)c(Br)c2)cc1 28499989 ZZSQDGODVQKPLZ-NRFANRHFSA-N 446.385 5.543 0 40 IKAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 32609846 XQRVOGVWMHZEKZ-UHFFFAOYSA-N 429.495 5.446 0 40 IKAB Cc1nc(N(C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(-c3ccccc3)sc2n1 32779236 QKEKITFBHDEMDR-OAHLLOKOSA-N 437.590 5.268 0 40 IKAB O=C(CSc1nnc2c(n1)[nH]c1ccccc12)Nc1ccc(Oc2ccccc2)cc1 32910187 NBSJGHXRPSMGBI-UHFFFAOYSA-N 427.489 5.029 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 33581039 NCULKBITEPIIBY-JXFKEZNVSA-N 432.948 5.086 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3cc(-c4ccccc4)no3)cc(-c3ccc(C)cc3)nc21 36613621 UKDHEWMQWSCYLU-UHFFFAOYSA-N 437.503 5.642 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2cccc(Cl)c2)cc1 44087314 FSESDDCMAZSRSN-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3cccc(C)c3)no2)cc1 46012088 UTFAAUSKMJVKMO-UHFFFAOYSA-N 429.476 5.128 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 59179563 GSUFWPALGGDBMI-UHFFFAOYSA-N 441.553 5.210 0 40 IKAB COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc(OC)c1 67295206 KWORFZYNCHTGFO-PNHLSOANSA-N 449.894 5.292 0 40 IKAB Cn1c(=O)n(C)c2cc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)ccc21 69519311 DVEKLLHHWBHOQW-UHFFFAOYSA-N 437.952 5.075 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@H]1C1CCCCC1 71939852 LLAVMVALACYFER-IBGZPJMESA-N 425.495 5.119 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1cc(F)c(F)cc1I 72305132 ITRWSRJPBJNSFB-UHFFFAOYSA-N 442.030 5.057 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cc1 72353503 RMCVTMLVKOEVAZ-FQEVSTJZSA-N 444.579 5.221 0 40 IKAB Cc1ccc2c(-c3ccccc3)c(C3=NN(C(=O)C(C)C)[C@H](c4ccco4)C3)c(=O)[nH]c2c1 79047025 XPVMXGBKTQADPK-QFIPXVFZSA-N 439.515 5.430 0 40 IKAB CC(C)(C)C(=O)N1CCC(C(=O)N(c2cccc(Br)c2)C2CCCCC2)CC1 84140013 PGFJGRPQADLYPC-UHFFFAOYSA-N 449.433 5.400 0 40 IKAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 89600933 KDVFYNMKHHQQOD-CYBMUJFWSA-N 438.336 5.239 0 40 IKAB COC(=O)C[C@@H](c1ccco1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O 95472683 YPDVOGPINOCLIW-IBGZPJMESA-N 436.485 5.079 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC(C)=O 215117583 JWELUMPZMXMRAA-VXLYETTFSA-N 449.887 5.040 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 216257626 SYQIEHSKKMOOCH-UHFFFAOYSA-N 441.936 5.550 0 40 IKAB COC(=O)c1cc(NC(=O)COc2ccc(C(C)C)cc2Br)ccc1Cl 218872372 CMRKZHYBLMLYCA-UHFFFAOYSA-N 440.721 5.030 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 220918088 GYVDLEVBWPJKPH-HNNXBMFYSA-N 436.512 5.027 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1N(C)S(C)(=O)=O 222476073 NELFXJHHTVADDD-UHFFFAOYSA-N 444.940 5.089 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 223341974 SWXLRPYWPRMTMO-ZEQRLZLVSA-N 434.609 5.771 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223718105 YIDOYCHMZASEET-NRFANRHFSA-N 449.422 5.301 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224161547 FJBDRUWGDHIEHB-UHFFFAOYSA-N 444.553 5.015 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(C)cc1 224468110 MOSXNNHZZATVHA-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224894528 OYEKFEBNZWJONR-UHFFFAOYSA-N 432.479 7.053 0 40 IKAB COc1cc(C)c(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C(C)C 225663726 FLALBSAOPUDRFC-UHFFFAOYSA-N 443.587 6.908 0 40 IKAB Nc1nnc(CCc2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)o1 226342490 OEGNSVLNIJVJOE-UHFFFAOYSA-N 443.128 5.085 0 40 IKAB O=C(N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccc(F)cc2)CCCC1 257247707 JACOUMXORJFGQC-RUZDIDTESA-N 447.529 5.521 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1C 408556167 IVTFADKGGNZPDC-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1c(Cl)cccc1Cl 408577831 UPILMVINGSDECX-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB COc1ccc(OC)c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c1 408814926 ZUYGTWUGNMNJQP-GZABKKFDSA-N 437.585 5.758 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccccc2)c(Br)c1 409095051 HAGICDQMSVJUQY-BKUYFWCQSA-N 438.346 6.113 0 40 IKAB COc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409103243 XOKDVYWTKRVWRW-UHFFFAOYSA-N 435.980 6.321 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Br)cc1 409116821 MTNZHWPHAFIRQZ-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1OC(C)C 409203334 VPORDGNQTUCXEZ-RQZCQDPDSA-N 438.332 6.030 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)c(C)c1 409378931 SLALCXSNHSFRGC-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 583652752 QDTHBJRRNHWFTN-XQVMISGQSA-N 443.591 5.906 0 40 IKAB biogenic CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cscn4)CC3)CO[C@H]21 643913817 INLOPMXGUZUDFT-PZJWPPBQSA-N 428.598 5.073 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 683126 PCWZPFHNDZKNPD-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C1 1158800 XJMUWCWXHCWODG-VOIUYBSRSA-N 446.925 5.911 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N(C1CCCCC1)C1CCCCC1 1332824 ORLPKYDZACHLHT-UHFFFAOYSA-N 438.597 5.804 0 40 IKAB O=c1c(Oc2ccc(-c3ccccc3)cc2)coc2cc(OCc3ccccc3F)ccc12 1940941 XSJZWJOWKRCFHG-UHFFFAOYSA-N 438.454 6.970 0 40 IKAB CCOc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2253360 KAMVAJZHFZUUMD-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB COc1ccc(NC(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)cc1 2318821 YRMFJHJBEKPMAM-UHFFFAOYSA-N 437.503 5.034 0 40 IKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)c(OC)c3)c2)cc1 2362065 IYKRVMOSESKUPX-XAYXJRQQSA-N 445.515 5.983 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1Br 2593140 ATZQWOSUEYMLGE-UHFFFAOYSA-N 445.382 6.131 0 40 IKAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1ccc(Cl)s1 2622029 ZUEVFWWLTYBJFT-UHFFFAOYSA-N 428.922 5.355 0 40 IKAB S=C(NCc1ccccc1)Nc1ccc(Sc2ccc(Br)cc2)cc1 2644023 GAZCMHMKDVBBTA-UHFFFAOYSA-N 429.408 6.087 0 40 IKAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)C(C)C)cc1 2653169 LIZACELPKFJCFZ-QFIPXVFZSA-N 435.593 5.437 0 40 IKAB Cc1ccccc1NC(=O)c1cc2c(n(-c3ccc(Cl)cc3)c1=O)CC(C)(C)CC2=O 2732574 QNMXBIXBEVMCLM-UHFFFAOYSA-N 434.923 5.207 0 40 IKAB COc1ccc([C@H]2Nc3ccc(Br)cc3C(=O)N2c2cccc(F)c2)cc1 2746625 GUKZIWZFSDCKJW-FQEVSTJZSA-N 427.273 5.368 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 3309595 WFLIWIQMJRJKMO-UHFFFAOYSA-N 432.328 5.940 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1c(F)cccc1F 3314785 RNUOWXOTPTZPPP-LJQANCHMSA-N 435.348 5.520 0 40 IKAB COc1ccc(N2N=C(C(C)=O)N(c3ccc(Cl)cc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 3672735 FEYFTAFHGVHWOO-DEOSSOPVSA-N 449.894 5.005 0 40 IKAB O=C(CS[C@H]1c2ccccc2C(=O)N1Cc1cccs1)NCc1ccc(Cl)cc1 4108836 JSTIUUIHALKMQM-QFIPXVFZSA-N 442.993 5.106 0 40 IKAB CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3)nc2)CC1 4608239 KGVSRJTXJRQFBV-UHFFFAOYSA-N 431.708 9.677 0 40 IKAB Cc1c(C(c2ccccc2)c2ccccc2)ccc(C(c2ccccc2)c2ccccc2)c1N 4706882 RWBNOEXGKBRXPY-UHFFFAOYSA-N 439.602 7.938 0 40 IKAB CCCc1sc(Nc2ccc(C(=O)OC)cc2)nc1-c1ccc(Br)cc1 6078141 CDHLXCKZZXUDBF-UHFFFAOYSA-N 431.355 6.055 0 40 IKAB O=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 8385785 QRYJUSMKRBSNCZ-LSMIHOHGSA-N 449.575 6.613 0 40 IKAB COC(=O)C(=C\c1cc2ccccc2s1)/C=C(\C(=O)OC)c1cc2ccccc2s1 8431248 YIUGOSGTVDHKDU-JOSACAGISA-N 434.538 5.929 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 8589832 JIQPDMPSHHWKPM-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB CC(=O)c1cccc(NC(=O)Cc2c(C)c3cc4c5c(oc4cc3oc2=O)CCCC5)c1 8791564 YBOCCVGDCKONAU-UHFFFAOYSA-N 429.472 5.110 0 40 IKAB biogenic O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8831890 AVECJMBHKXCIHC-XCVCLJGOSA-N 443.717 7.107 0 40 IKAB CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(-c3nnc(-c4ccco4)o3)c2)cc1 8906266 RJAHFSWGCFAQDA-UHFFFAOYSA-N 431.492 5.702 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 8965909 KIPSVRAZPQHLLH-AREMUKBSSA-N 436.515 5.277 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)n1 9159960 PKJDPNPPVSJIMV-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB COc1ccccc1[C@H]1C(C(=O)Nc2ccc(F)cc2)=C(C)Nc2nc3ccccc3n21 9288250 TZYXSTYPPMOHEX-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB C[C@@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 9413810 GATRECDTUODBPU-SANMLTNESA-N 430.504 5.130 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 9465921 GCKSLFUKLCUXGC-QGZVFWFLSA-N 430.533 5.062 0 40 IKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc12 9498744 KYJNGLONQNWIQM-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 9569373 QTCNMJDJSOUWIM-UHFFFAOYSA-N 440.499 5.677 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1 9591634 BBCWGXYSXJZYPI-KRWDZBQOSA-N 447.918 6.340 0 40 IKAB CCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 9606933 BDXWVJQCBIKPAE-UHFFFAOYSA-N 432.343 5.640 0 40 IKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(Cl)cc1 9729295 RJCKPBWZXBCHON-CYBMUJFWSA-N 448.375 5.862 0 40 IKAB Cc1cccn2cc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)nc12 10272030 UVUKTXMIVOIBKA-UHFFFAOYSA-N 431.495 6.186 0 40 IKAB O=C(/C=C/c1ccc(OC(F)F)cc1OC(F)F)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12603793 SXTGYSZEZCZJEX-SYJIQKIWSA-N 449.404 5.143 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCS2 12762410 JDQZZNYCFACGAT-UHFFFAOYSA-N 437.995 6.084 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)cc(-c2nc3ccccc3s2)c1O 12843204 WDHYTWAZTMNVQB-UHFFFAOYSA-N 437.521 5.243 0 40 IKAB Cc1ccc(-c2nc(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)co2)c(C)c1 13002840 YCFHKXRZRKMOCW-UHFFFAOYSA-N 431.492 5.584 0 40 IKAB C[C@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl 13004542 GMOPPPRAZWYHGL-JTQLQIEISA-N 440.377 5.184 0 40 IKAB CC(C)(C)c1ccc(-c2nn(CN3CCCCCC3)c(=S)n2Cc2ccccc2)cc1 13071198 XCGOAOZSZLCVBB-UHFFFAOYSA-N 434.653 6.260 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1cc(F)ccc1F 13141088 ZYTVEHVHLGRPLQ-UHFFFAOYSA-N 437.880 5.614 0 40 IKAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 13638340 XXPNULXAIFBYAU-KRWDZBQOSA-N 447.922 5.117 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 13806149 QZVLTMRQRNVSHN-CJFMBICVSA-N 448.906 5.710 0 40 IKAB 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COc1cccc([C@H]2CN[C@@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC 25480344 YUWKNXAQUIIHLZ-YKSBVNFPSA-N 430.573 5.732 0 40 IKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NCc1csc(-c2ccccc2)n1 26794609 PVQBTGNPZQVSDS-UHFFFAOYSA-N 448.548 5.184 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCCC2)cc1 27664221 ZJYJHEPIQHFFOD-QFIPXVFZSA-N 440.971 5.750 0 40 IKAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 32957695 CZDQTEWGCFEQIZ-JOCHJYFZSA-N 444.510 5.085 0 40 IKAB CCOc1ccc(-c2csc3c(=O)n(Cc4cc(C)ccc4C)cnc23)cc1OCC 44167043 IELBHFXMESLXEW-UHFFFAOYSA-N 434.561 5.588 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 44899672 RAKWUNXURXXOQF-VWLOTQADSA-N 430.548 5.072 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078788 GNXQZYJCONJUGJ-UHFFFAOYSA-N 426.850 5.464 0 40 IKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1 67294617 FLMOLXRFEAGJOV-VYIQYICTSA-N 439.298 6.233 0 40 IKAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)N(C)CCc2ccccc2)sc2ccccc12 72370825 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Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224880715 TXKOLGYLWPEOND-DHIUTWEWSA-N 447.947 5.878 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225379078 MMXPUKNPDZGWFM-AREMUKBSSA-N 434.624 5.145 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 225781856 JPPIIWQSKWFEPU-UHFFFAOYSA-N 433.548 5.714 0 40 IKAB Cc1ccc(C)c(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)c1 244933185 CFOYMNAXFDGOMM-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCCC2)CC1 257202349 ALJGXPPJWKJYHR-UHFFFAOYSA-N 438.637 5.235 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@H](c3cncc(Nc4ncccc4C)n3)C2)ccc1F 257294999 QWOFUMAGZIVJPS-NRFANRHFSA-N 447.558 5.100 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 408543282 CMROBDDSISENCT-UHFFFAOYSA-N 436.577 5.536 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408563310 LGNAVPZOSHZYLB-AREMUKBSSA-N 446.572 5.500 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 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CC(C)[C@@H]1CC(CCNCc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@@H](C(C)C)O1 524734584 SKECJCACEUTHME-DQEYMECFSA-N 432.023 6.756 0 40 IKAB O=C(OCCN1CCCC1)c1ccccc1Nc1ccnc2cc(C(F)(F)F)ccc12 537734 DQOYUDHAZMAVLD-UHFFFAOYSA-N 429.442 5.250 0 40 IKAB in-man CCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)cc1Cl 722705 GDBOCEBLAKSGIC-UHFFFAOYSA-N 427.291 5.378 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 866945 FPNJXFNVJLHURZ-WCQYABFASA-N 446.763 5.320 0 40 IKAB CCOc1cc(NC(=S)NC2CCCCC2)c(OCC)cc1NC(=O)c1cccs1 929376 LRSGFAZFORSBNB-UHFFFAOYSA-N 447.626 5.417 0 40 IKAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(Br)cc1 994463 RJPNNYYVUSRTBP-UHFFFAOYSA-N 427.689 5.089 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 1013782 YCJQKELJEMRXKB-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2C)cc1 1106004 CFPVTXBQGLMILS-UHFFFAOYSA-N 444.601 5.242 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccccc3Cl)cc2c1 1366938 MVTAZZKCJSXGEH-UHFFFAOYSA-N 446.934 5.423 0 40 IKAB CCN1CC[C@@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 1628522 OJDYOYOACQNEAI-VBKZILBWSA-N 447.189 5.713 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4C)c3)nc2c1 1838547 WXAQWCJMDVWSDR-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCC3 1856935 LAWUCKYDTNBSGW-UHFFFAOYSA-N 442.606 5.070 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)N(C1CCCCC1)C1CCCCC1 2064038 QAQMYQLPEREPTI-UHFFFAOYSA-N 443.682 6.156 0 40 IKAB O=C(Nc1ccc(Cl)cc1F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2086528 HGZQGYLYIIKVEI-UHFFFAOYSA-N 445.708 7.253 0 40 IKAB COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 2247358 FDNCQVNUFFBWQC-RPWUZVMVSA-N 442.906 5.153 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2251798 PLRPYOYQYJRQAL-YADHBBJMSA-N 432.936 5.514 0 40 IKAB COC(=O)c1c(NC(=O)c2cc3ccccc3cc2OC)sc(-c2ccccc2)c1C 2262264 OZPYCIBLWFVDTF-UHFFFAOYSA-N 431.513 5.924 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(C(C)(C)C)cc1 2452873 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O=C(OCc1coc(-c2ccccc2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3438261 GMTCYLPBSYSFKA-UHFFFAOYSA-N 440.886 6.567 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636721 NHAJZQUDKTVZIR-ICSRJNTNSA-N 428.598 5.222 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658692 CEZLQFJMEAELHI-FQEVSTJZSA-N 435.524 5.660 0 40 IKAB Oc1cccc(-c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)c1 3766614 NJVWFAXFVHXZKC-UHFFFAOYSA-N 437.446 6.540 0 40 IKAB CCCCN(CCCC)CCc1c(C)cc(C)c(CCN(CCCC)CCCC)c1O 4720865 KJLQHJNYEXRLHG-UHFFFAOYSA-N 432.737 6.898 0 40 IKAB CCCCCC(=O)N[C@H]1C[C@@H](C)N(C(=O)Nc2cccc(Cl)c2)c2ccc(C)cc21 4886811 JHOLAWICKNKJQB-UTKZUKDTSA-N 427.976 6.217 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2C)n1-c1ccccc1 6444240 AQRUUMAGKDGPHL-IBGZPJMESA-N 428.561 5.670 0 40 IKAB Cc1ccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)n2)cc1 8612307 HINYCFLWQUPXJQ-UHFFFAOYSA-N 445.972 5.222 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c(C)c1 8687083 KWTURHPAJUOICG-UHFFFAOYSA-N 443.572 5.865 0 40 IKAB O=C(O)c1cc(N2C(=O)/C(=C/c3ccc(Cl)cc3)C=C2c2ccccc2)ccc1Cl 8872214 VQMGXUYLKQNDRM-SFQUDFHCSA-N 436.294 6.163 0 40 IKAB O=C(Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O)Nc1ccccc1Cl 8919409 IIVJXIZKKLWVFT-UHFFFAOYSA-N 449.963 5.296 0 40 IKAB CC(=O)NCc1ccc(C(=O)CSc2nc(-c3cccs3)nc3ccccc23)s1 9245708 IQMPRISZEWKUQQ-UHFFFAOYSA-N 439.587 5.031 0 40 IKAB CSc1nc(NCc2ccccn2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9307062 QEXCMCYAQHKHQX-UHFFFAOYSA-N 445.573 5.717 0 40 IKAB COc1ccc(-n2c(-c3ccccc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1 9427882 NWUXFJZALNMQGS-UHFFFAOYSA-N 441.534 7.135 0 40 IKAB Cc1nc(-c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)c3cccs3)cc2)cs1 9498256 CTURXWMMLGLVOV-FQEVSTJZSA-N 447.585 5.160 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1Cc1ccccc1 9513913 FRUULJUXVORDEM-UHFFFAOYSA-N 444.560 5.282 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCc3nc(-c4ccccc4F)no3)ccc21 9560585 BVIHFTLHUNNBFZ-UHFFFAOYSA-N 428.467 5.575 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(Cl)c1 9582712 VBDORWSGCVQKKA-UHFFFAOYSA-N 447.922 5.400 0 40 IKAB Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@@H]3c1ccccc1 9583881 LGBLBPJKTARNFM-QHCPKHFHSA-N 436.471 5.003 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N[C@H]1CCCc2ccccc21 9612632 JQXQTUNVQIKZGI-QHCPKHFHSA-N 443.547 5.722 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2sc(-c3cccnc3)nc2-c2ccc(C)cc2)cc1 9613339 RQKVYWZLGPDISA-UHFFFAOYSA-N 442.544 5.320 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1NS(=O)(=O)c1ccccc1 10358888 IRMMVPISEJMGFH-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2C)cc1 10364379 VPCBOAGJZCGKJD-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(Cl)cc32)cc1OC 12486182 WBUAZMZLNLIYRG-UHFFFAOYSA-N 426.303 5.445 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1ccccc1F 12531772 QXHDMGIRECPMDS-CCEZHUSRSA-N 437.474 5.754 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)c5ccc(Cl)s5)(C4)C2)C3)cc1 12540338 GTRGATRIXUCMAU-UPFYTXMWSA-N 428.981 5.974 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(Oc2ccccc2)c1 12567010 VBVKFAHQKSZECT-UHFFFAOYSA-N 441.339 7.162 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1c(F)cccc1F 12614073 RPGRKWGFGNCPFJ-UHFFFAOYSA-N 435.883 5.099 0 40 IKAB c1ccc(-c2ccc(OCCCc3nc(-c4cccnc4)no3)c(-c3ccccc3)c2)cc1 12655102 GSQFHZPYESUSHC-UHFFFAOYSA-N 433.511 6.477 0 40 IKAB Fc1ccc(C2=Nc3c(ccc4ccccc34)C(c3cccc(C(F)(F)F)c3)=NN2)cc1 12881025 KUFOILGWQIYIGX-UHFFFAOYSA-N 433.408 6.432 0 40 IKAB Cc1ccc(N(Cc2ccccc2)C(=O)c2nn(-c3ccccc3Cl)c(C)cc2=O)cc1 13098554 UVCICSYXNLIGEK-UHFFFAOYSA-N 443.934 5.350 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 13871459 IGXCGSYBIGRGLB-CQSZACIVSA-N 436.408 6.600 0 40 IKAB COc1ccc(/C=C(/CC(=O)Nc2ccccc2)c2nc3ccccc3s2)cc1OC 14094308 JJLRKZPFSAENGX-JXAWBTAJSA-N 430.529 5.883 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c2ccccc21 14132566 GXZBJSGELRTNAT-ZVHZXABRSA-N 426.541 6.612 0 40 IKAB C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 16757758 HHLMFFQGUROXGY-GOSISDBHSA-N 441.987 7.594 0 40 IKAB Cc1ccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)CC2)cc1Cl 16780231 NXCQBJTYGLKDLI-UHFFFAOYSA-N 435.980 6.193 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(OC)c1 16789110 PDRIUGUKWCGOOM-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 17100651 APMPJQOOFBHAFS-INIZCTEOSA-N 436.577 5.412 0 40 IKAB Cc1cccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3cccc(C)c3)c2Cl)c1 19634877 OYJUTXHEMJQZRW-UHFFFAOYSA-N 441.789 7.842 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2C)cc1 19635440 VANYGBGMBBTFKR-UHFFFAOYSA-N 442.342 6.326 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19647865 DYPGOOWQUOSTJL-QUGAMOGWSA-N 448.588 5.257 0 40 IKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)Nc2ccc(C)cc2)cc1 20367723 SISSIOUECFLRBO-HHHXNRCGSA-N 425.532 5.071 0 40 IKAB biogenic,in-vitro COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20736955 JGBDGQGSYHCXQA-DEOSSOPVSA-N 432.564 5.519 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(c1ccccc1)c1ccccc1 21580537 PUANZXUSXGOZHY-UHFFFAOYSA-N 433.511 6.009 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)cc1 21786039 RMQQMSHYSAODEG-UHFFFAOYSA-N 428.469 5.941 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@@H](C)c1ccc(Br)cc1 22245574 XFNCSYPYCIHVHK-ZDUSSCGKSA-N 430.371 5.473 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2sc(Nc3ccc(F)cc3)nc2C)CC1 22245993 HKRZDPPVQSGRIY-UHFFFAOYSA-N 444.963 5.258 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(Cl)cc2)cc1 22276087 IHBCGLAPBZRXND-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(OCCSc2ccccc2)cc1 22531185 YOQZMYAVAWCKSD-UHFFFAOYSA-N 443.572 5.282 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)c(Cl)c2)c2ccccc2)c1 24749403 MJPTWBWXTJAPOU-RUZDIDTESA-N 447.966 5.876 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccc(F)cc4)ncnc3[C@H]2C2=C1CCC2 26960027 NXDVBQMZXBFQBS-KNQAVFIVSA-N 425.598 6.549 0 40 IKAB CCN(C(=O)COc1ccc(C)c(C)c1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993135 KDSLGZHDKULYEL-MUUNZHRXSA-N 426.560 6.110 0 40 IKAB COc1cc(C(=O)Oc2ccc(C3SCCS3)cc2)cc(OC)c1Br 32768262 MUOMNAWEVVSKOV-UHFFFAOYSA-N 441.368 5.164 0 40 IKAB Cc1cc(Br)ccc1NC(=O)COc1ccc(NC(=O)c2ccccc2)cc1 32910853 RWZDDGDOQRETLT-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB C[C@@H](NC(=S)Nc1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 33376743 JGWVBCLGDVDBLN-INIZCTEOSA-N 446.896 6.324 0 40 IKAB COC(=O)CCCCCCCC(=O)Nc1ccccc1Oc1ccc(Cl)cc1Cl 33414737 IDPDRQVKABHDLU-UHFFFAOYSA-N 438.351 6.628 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35684941 FDPDWCCCTKQVHU-OAHLLOKOSA-N 434.805 5.101 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3cc(C)nn3C3CCCC3)cc(-c3ccc(C)cc3)nc21 36613623 GUJNQIPIMKOUSY-UHFFFAOYSA-N 442.567 5.607 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2)cc1Cl 40005494 YIMIVYFDINGWSJ-NYHFZMIOSA-N 435.911 5.160 0 40 IKAB CN(C)[C@@H](CNC(=O)[C@@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 40071011 WBWQUMDJBIJFSS-OFVILXPXSA-N 449.645 5.277 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(NC(=O)c2ccoc2)cc1C(F)(F)F 40142380 XUODORVQWOOSLE-UHFFFAOYSA-N 446.469 6.096 0 40 IKAB CC(C)n1nc(C(=O)N2CC[C@H](C)Sc3ccc(Cl)cc32)c2ccccc2c1=O 40150731 POXPYNJEYWYXCL-AWEZNQCLSA-N 427.957 5.162 0 40 IKAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(NC(=O)c2ccccc2Cl)cc1 43965040 JNTDMWIEZJTRFZ-AVRDEDQJSA-N 426.944 5.014 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 44885161 PTNHHDLWQMATPH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)c1Cl 48309756 MDJKJGBQQKVAKZ-UHFFFAOYSA-N 431.945 5.910 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)c1cc2ccccc2o1 58058978 TZWWONKGBBFCSH-UHFFFAOYSA-N 426.881 5.139 0 40 IKAB O=S(=O)(c1ccccc1OC(F)(F)F)N(Cc1cccnc1)c1ccc(Cl)cc1 59122313 FFPXBSZWFILRCA-UHFFFAOYSA-N 442.846 5.029 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 59382167 FPGADDTYOZYMIJ-UHFFFAOYSA-N 428.022 6.296 0 40 IKAB COC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 62715656 NDVKJXIFIXVDST-GQCTYLIASA-N 446.124 5.530 0 40 IKAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 65322234 LXELBNQGIGZWKS-UHFFFAOYSA-N 440.975 5.103 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C(C)C)cc3)oc12 67295617 UOLMEVXVUSPVQN-SGEDCAFJSA-N 427.504 5.753 0 40 IKAB CCCN(C(=O)c1nc(-c2cccs2)oc1C)[C@H](c1cccnc1)c1ccc(F)c(C)c1 72300884 RCQWKQRPVFYADU-QHCPKHFHSA-N 449.551 6.196 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)ncc1C(=O)Nc1ccccc1 72346277 CFSKRTYIOUYDIY-DEOSSOPVSA-N 425.536 5.246 0 40 IKAB CO[C@H]1CCN(c2ccc(NC(=O)CCc3ccc(OCc4ccccc4)cc3)cc2)C1 96122242 XAJIANCUFLLFRL-SANMLTNESA-N 430.548 5.062 0 40 IKAB COc1cccc2c1O[C@@]1(C)C[C@H]2N(C(=O)c2ccco2)C(=S)N1c1ccc(C)cc1 102906709 NCJMCEZJCCPVTR-KOSHJBKYSA-N 434.517 5.084 0 40 IKAB FC(F)(F)c1cccc(N2N=N[C@H]3CCC/C(=C/c4ccccc4)[C@@]32N2CCOCC2)c1 103462450 KFXWBCPFNYJMKN-DAWIYVSLSA-N 442.485 5.557 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1Cc1ccc(Cl)cc1 106689073 JHYRFLGZEILWHK-HMAPJEAMSA-N 435.932 6.156 0 40 IKAB CC1(C)c2ccccc2-c2ccc(N(c3ccccc3)c3ccc(-c4ccccc4)cc3)cc21 143388674 DIZZUFMWPOTGRU-UHFFFAOYSA-N 437.586 9.130 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C1=O 205672696 QHZUVIHFJFTZHW-HYARGMPZSA-N 447.512 5.018 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CN2CCCc3ccccc32)cc1 216320549 COESALBGJCOOQG-UHFFFAOYSA-N 437.008 5.815 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222615068 CSWGDLZFKXCQKH-AUSIDOKSSA-N 429.004 5.037 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222715097 SZWXNTMUSHHTIQ-GOSISDBHSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223585285 GJQLVSSWTLKQHQ-NRFANRHFSA-N 449.422 5.566 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC2CCCC2)cc1 223813610 ILFWMMRULSBDKF-QFIPXVFZSA-N 442.603 5.557 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 223872674 CEWYZRWJSNFESR-DHIUTWEWSA-N 447.947 5.878 0 40 IKAB CCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 224066288 QKOQQZQXAFTXTB-UHFFFAOYSA-N 449.359 5.609 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(Cl)c1 224146089 SUVLSDRXKOMTBB-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224332923 IMYPEYKJFGHVSJ-IZZNHLLZSA-N 444.648 6.355 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C 224496654 BARURGRPTXANIR-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224502988 QZSGRDSHULFAIW-JOCHJYFZSA-N 436.640 5.149 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccc(F)cc1 224527762 AEPXDCUEOHMWNF-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224703160 XVVGBDRVINIGDT-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCCC4)cc3)CCCCC2)cc1 225542087 AIHFKUVYASNSOG-UHFFFAOYSA-N 434.580 5.227 0 40 IKAB COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1ccccc1 408557232 NYLRXGVDLUTJDO-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Br)cc1)C(=O)c1ccc(Cl)cc1 408683659 LXNPNIOOIQSFKD-UHFFFAOYSA-N 445.744 5.182 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c(C)c1 408695913 UZBNACXIXQQFFI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408696698 BHCVYHAZFMRRCN-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c(C)c1 409120412 VOIYDVUVPQNFIQ-UHFFFAOYSA-N 440.337 5.955 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(F)cc1 409134275 ONHNICIZOZNANO-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1 409346589 NFDZBJWBUMPIOA-HYARGMPZSA-N 430.529 5.638 0 40 IKAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 409351087 WFBNWQNJUGAZMY-RIWZNOJBSA-N 448.544 5.068 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)c1ccccc1F 643564378 IDLMFERZXDDNOU-FQEVSTJZSA-N 440.559 5.018 0 40 IKAB C[C@@H]1C(=O)CC[C@H]2[C@@]1(C)CC[C@H]1[C@]3(C)CC[C@]4(C)CC[C@](C)(CO)C[C@@H]4[C@@]3(C)CC[C@@]12C 1077996735 NAOCHKKFDYTOII-NMYGGBPXSA-N 442.728 7.429 0 40 IKAB biogenic O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2cccs2)CC1 1615529159 FWMMJCLUDPVSHP-RUZDIDTESA-N 431.605 5.070 0 40 IKAB COc1ccccc1OCC(=O)Nc1nnc(SCc2cccc3ccccc23)s1 702326 CHONHHZFZOHUEM-UHFFFAOYSA-N 437.546 5.010 0 40 IKAB CCOC(=O)c1[nH]c(C)c(CN(C(=O)c2ccccc2Cl)c2cccc(Cl)c2)c1C 719945 OYDDZUFPXBNDFT-UHFFFAOYSA-N 445.346 5.962 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 865641 UGXGJUPKAZSTFM-GJZGRUSLSA-N 426.870 5.259 0 40 IKAB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1C[C@@H]1CCCO1 952430 PZWOLFPHLXSZNW-INIZCTEOSA-N 441.622 5.142 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)cc1Cl 1101461 RQBZNJVBBRCIAH-MRXNPFEDSA-N 443.819 5.556 0 40 IKAB COc1ccccc1C(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1366569 RUUXAHDVDCPKCT-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB CC1(C)[C@@H](N2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 1711420 PGLYNCLKWXJSBP-SANMLTNESA-N 440.612 6.163 0 40 IKAB CCCCCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770133 NSHCJWCEYHOJQL-UHFFFAOYSA-N 438.520 5.995 0 40 IKAB CCc1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](C(C)(C)C)C3)c1 1916569 FRGYUIRQXFAZQB-MRXNPFEDSA-N 429.582 5.266 0 40 IKAB CCCCSc1nnc2c(n1)O[C@@H](c1sccc1C)N(C(C)=O)c1ccccc1-2 2113792 NZTKKGMCYLJNBS-FQEVSTJZSA-N 426.567 5.245 0 40 IKAB O=c1oc2ccc(Br)cc2cc1-c1csc(Nc2cccc3ccccc23)n1 2186966 LRCFNOLYQLKWHU-UHFFFAOYSA-N 449.329 6.576 0 40 IKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccccc1Cl 2351604 GQZGAZCTKQITAI-UHFFFAOYSA-N 434.927 5.358 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 2399309 QIRMFRPYGUXBPK-UHFFFAOYSA-N 429.568 5.274 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2418468 YJXKHCHYMFWOOL-YKSBVNFPSA-N 431.532 5.257 0 40 IKAB CCOc1ccc([C@H]2SCC(O)=Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2589478 UFKACIBEKZJPMK-RUZDIDTESA-N 441.556 6.362 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 2648150 BCOZVFMXIWZYSR-UHFFFAOYSA-N 448.235 5.397 0 40 IKAB COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CC[C@@H](C)C2 2749932 YRPOXCWHSFFVKE-CQSZACIVSA-N 433.529 5.536 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]([C@@H](C)O)[C@@](C)(CCCO)[C@@H]3CC[C@]12C 5047818 WIGPVEOSPKDIBJ-MGIITMDGSA-N 434.749 7.467 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1C[S@@](=O)c1ccc(Cl)cc1 8677821 WTENPTCMVROIBQ-NDEPHWFRSA-N 429.324 6.278 0 40 IKAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8753122 AOZDDYKRYMLZLB-SFHVURJKSA-N 431.536 5.466 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8832296 KQHZMFUPZWLUOH-UHFFFAOYSA-N 445.527 6.922 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CCCCC2 8843225 JPQMVDYDCQQGCN-UHFFFAOYSA-N 448.588 6.229 0 40 IKAB Clc1cc(Oc2nc3ccccc3nc2Cc2ccccc2)ccc1Br 8857181 STSFJFXAAADMEQ-UHFFFAOYSA-N 425.713 6.429 0 40 IKAB O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccccc2F)ncc1Cl 8916254 ISRHGCNTWCDYGW-UHFFFAOYSA-N 439.846 5.415 0 40 IKAB c1ccc(CN2N=C(c3ccccc3)Cn3c2nc(-c2ccccc2)c3-c2ccccc2)cc1 9076473 WNHINZAWSHWJAQ-UHFFFAOYSA-N 440.550 6.642 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc1OCC 9134998 WOYAVQIMAHZUTE-UHFFFAOYSA-N 432.476 5.403 0 40 IKAB CCOC(=O)c1[nH]c2cc(OC)c(OC)cc2c1NC(=O)c1cc2cc(Cl)ccc2o1 9184064 BBFPSVSYPFKHNM-UHFFFAOYSA-N 442.855 5.014 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)C3=O 9215663 BXSSWESYNWFMBY-VLIAUNLRSA-N 444.314 5.132 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cccc(OC)c2o1 9260610 JYRMWICLUSQYEV-UHFFFAOYSA-N 436.537 5.067 0 40 IKAB CC(C)OCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355548 KHAWXWFKRZACQE-MHZLTWQESA-N 442.534 6.334 0 40 IKAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 9422839 WWHRHADSYVCHEU-UHFFFAOYSA-N 444.874 5.744 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N[C@@H](C)c3cccs3)nnc2-c2ccccc2)cc1 9464367 GZLNIWDQUGNGIA-KRWDZBQOSA-N 434.590 5.274 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(C)ccc2C)c1 9570222 JZFHSJNIXUDDPN-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 9794113 BZKDEGUIMZYXIE-MRXNPFEDSA-N 442.544 5.375 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Oc2ccccc2)cc1)c1ccco1 9794999 UIHKBVSBZZPIKL-QHCPKHFHSA-N 426.472 5.052 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 10368026 BHNPFXSWXQMSTH-UHFFFAOYSA-N 430.617 6.526 0 40 IKAB CCc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 11916295 CWFXKXUNOWLAHC-UHFFFAOYSA-N 428.355 5.346 0 40 IKAB CCN(C(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1)C1CCCCC1 12547024 YLWNBOTYYLMDOV-UHFFFAOYSA-N 448.636 5.824 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Oc2ccccc2)cc1 12576503 ZVABFIBINPWCQC-UHFFFAOYSA-N 448.316 6.412 0 40 IKAB COc1ccccc1-c1cc(CSc2ccccc2C(=O)OCC(=O)C(C)(C)C)on1 12975861 ISXDRPVHONSORX-UHFFFAOYSA-N 439.533 5.415 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1CSCC(=O)Nc1ccc(Br)cc1F 13129123 HJHGBTBIBBTMIQ-UHFFFAOYSA-N 438.406 6.374 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1OC 13149905 KIWHTEMFWRKGBB-UHFFFAOYSA-N 433.346 5.099 0 40 IKAB Cc1ccc(CNCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 13564701 AFIFCDPMEOWRGI-UHFFFAOYSA-N 434.543 5.287 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583521 WMFWYFFXGOXNRC-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4)ccc32)cc1 13583683 QCVLCIFPTMWGFX-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB O=C(NCc1cccnc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992501 CJOWOUHZLCVVEW-UHFFFAOYSA-N 428.542 5.412 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)cc1 14269870 JISULUQCPDGFIJ-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(Cl)ccc2Cl)cc1 14410959 CSYZFGPZSYQJJQ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB C[C@@H]1c2nc(-c3ccsc3)sc2C[C@]2(C)CC[C@H]([C@H](C)C(=O)N3CCCC3)[C@H](O)[C@@H]12 15709026 MYNOERHMMIGLCQ-IXMAWCDFSA-N 444.666 5.183 0 40 IKAB biogenic,in-vitro COc1ccc(-c2nc(CCNC(=O)c3sc4cc(C)ccc4c3Cl)cs2)cc1 15832796 UHLCRWPBJBOCIA-UHFFFAOYSA-N 442.993 5.968 0 40 IKAB O=C(Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S)Nc1ccccc1Cl 16777968 KLXDFPPASGLCDS-UHFFFAOYSA-N 444.347 5.139 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)Cn4ccnc4C)C3)c(-c3ccncc3)c2c1 19220121 OCZILPKVJXUIBB-KNQAVFIVSA-N 441.579 5.086 0 40 IKAB CC(C)COc1ccccc1CN1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 19702530 NGUZYUPIUPVIQS-LJQANCHMSA-N 437.609 5.022 0 40 IKAB COc1c(C)cccc1CN1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2NC(=O)CCC[C@H]21 19713920 NZHSWRARPRYWLO-PWRODBHTSA-N 432.486 5.007 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 20457101 UHKUGHTXKIJLMF-HSZRJFAPSA-N 438.574 5.418 0 40 IKAB COc1ccc(-c2cc3nc(CN4CCC[C@H]4c4ccc(OC)cc4)[nH]c(=O)c3s2)cc1 22011212 FOPPELZWXVOIHP-NRFANRHFSA-N 447.560 5.006 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(Cl)c(Cl)cc1Cl 22237741 JPTZVOIYVYRKFZ-UHFFFAOYSA-N 426.756 6.432 0 40 IKAB Cc1ccccc1NC(=O)CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 22278669 LGLZRRXSIPRAQG-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 23163189 NMGIEHZDMZFICT-WUXMJOGZSA-N 425.699 5.600 0 40 IKAB CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 23968411 UQEAFKIFAMTKQN-MHZLTWQESA-N 441.531 5.005 0 40 IKAB O=C(NCc1ccccc1Cn1ccnc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 29835261 SBJFMGUGZDCIHZ-UHFFFAOYSA-N 435.449 5.547 0 40 IKAB O=C(Nc1nnc(SCCc2ccccc2)s1)c1ccc(-c2ccccc2F)o1 32502369 SWGVHIXVMUZUJN-UHFFFAOYSA-N 425.510 5.524 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1nc(Cl)c(Cl)c(Cl)c1Cl 32911259 YMZUKFHPPKWHFE-UHFFFAOYSA-N 425.080 5.164 0 40 IKAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)OCC(=O)Nc1ccc(C(C)=O)cc1 32913701 XKVNLDFQEPPRJT-UHFFFAOYSA-N 438.549 5.030 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 34846269 NVVJJAPFDFBRJF-UHFFFAOYSA-N 449.551 5.704 0 40 IKAB Cc1ccc(C)c(Cn2c3ccc(F)cc3c3ncn(Cc4ccc(F)cc4)c(=O)c32)c1 35400334 XKWOQQIZQMMQNN-UHFFFAOYSA-N 429.470 5.343 0 40 IKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)Cc4cccc(C)c4)n(C)n3)n2)cc1 35683063 ABYKPUHGPRNMDJ-UHFFFAOYSA-N 432.549 5.099 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3cccc(Br)c3)C[C@H]12 36611999 NKLBOHZLKULONG-SUIGJNLTSA-N 443.469 7.236 0 40 IKAB biogenic O=C(c1ccc2ccccc2n1)N1C[C@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 36719585 MQXBJQJRMDKEKU-DNQXCXABSA-N 425.576 5.142 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nn12 57316916 KCQVEENNSITHJK-UHFFFAOYSA-N 449.923 5.581 0 40 IKAB Cc1cc(Nc2c(C(=O)N3CCSCC3)cnc3ccccc23)ccc1Br 64471867 INFBMHOXAPEVSD-UHFFFAOYSA-N 442.382 5.238 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@H](C)Cn4ccc(C)n4)C3)c(-c3ccncc3)c2c1 72396819 SQFSQRNYHQNALC-KNQAVFIVSA-N 441.579 5.086 0 40 IKAB CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 95871213 BBQNHGBERIULCP-OCBUSCMESA-N 428.745 8.823 0 40 IKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc3ccccc3nc12 100190316 ZUKPCHLNQRQMCG-DHIUTWEWSA-N 441.453 5.496 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccc(C)cc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100427115 GJOLVIJGYYPNSF-WINIVTDRSA-N 428.507 6.772 0 40 IKAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccc(Br)o1 101094209 GFXNEWFFQHKMEI-UHFFFAOYSA-N 439.265 5.013 0 40 IKAB C[C@@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 102817355 POPRPECCKAJPEI-CUDHKJQZSA-N 438.572 5.681 0 40 IKAB CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1 103524826 LWNNTGLJJKCIJE-HSZRJFAPSA-N 435.593 5.856 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccccc2Br)C1=O 106726211 RBAMKGTZLLGSAA-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB CCCC[Sn](CCCC)(CCCC)OC(=O)[C@H](O)c1ccccc1 195998906 REVUKAJUTCFKFJ-GITXNKFESA-M 441.200 5.609 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 219841590 SIJTYKAJSUOBDE-UHFFFAOYSA-N 427.931 6.438 0 40 IKAB Cc1cc(CN(C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)C2CCCC2)c(C)n1C 222563985 NBPZNWWLOSIHJI-UHFFFAOYSA-N 426.992 5.811 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222909452 PDAHCZOIIYIBDK-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl 222941262 NOGJINAOFWGBQI-YADHBBJMSA-N 425.985 5.932 0 40 IKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 223084636 WOBWJNVXFMRZKC-SANMLTNESA-N 433.979 6.679 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223585158 JJBJDMITYKCJAB-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223713195 IEEOLLOGDJPFEC-JOCHJYFZSA-N 429.004 5.037 0 40 IKAB Cc1cc(C(=O)NCCC2=CCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224005926 FRQDBRFXQAURLN-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)c(OC)cc1Cl 224104914 UIGINLJEAOGLPD-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 224198067 CTWLXSRDNOUFQZ-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 224240785 RLZKENDLGFZVNM-HSZRJFAPSA-N 444.978 5.196 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224540673 ICVRSODRUVOLGN-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224665460 DSHHUBWZJCAFGN-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1Cl 224950148 KLCXBSQKHGOCRO-RTWAWAEBSA-N 426.973 5.303 0 40 IKAB O=C(NCCSCc1cccc2ccccc12)c1cccc(I)c1 224968170 RWAQTLWEJZLTHA-UHFFFAOYSA-N 447.341 5.108 0 40 IKAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520810 OTROXXSJYKAGSL-NRFANRHFSA-N 438.587 5.777 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4cccc(C)c4)no3)nc3ccccc3c2=O)cc1 225529546 LVAXFIXKOWBZGZ-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB Cc1cccc(Nc2ccc([C@H]3CN(Cc4nc5ccccc5n4C(C)C)CCO3)nc2)n1 257221471 DPEDUSZWAYXLHR-XMMPIXPASA-N 442.567 5.033 0 40 IKAB CN(C)C(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCCC2)CC1 257269675 MQXDHOJKMQJUEC-UHFFFAOYSA-N 432.608 5.173 0 40 IKAB Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257299861 RRYUYWJTRQHXBL-IBGZPJMESA-N 444.560 5.112 0 40 IKAB COc1ccccc1-c1cccc(C(=O)N(CCC(=O)O)CCc2cccc(Cl)c2)c1 257322451 WGBDLXWJNYWPEY-UHFFFAOYSA-N 437.923 5.175 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257341403 ZKDWNJHFCRVMDF-VWLOTQADSA-N 432.907 5.249 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)cc2)cc1 408574596 IPTVQIONSYZUBJ-UHFFFAOYSA-N 435.898 7.212 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)cc1 408667882 QMYQHELLZCTZSC-SFHVURJKSA-N 433.935 5.624 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(Cl)ccc2C)cc1 408693634 BGNFSPYIRJKHJM-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)c(C)c1 408696885 FRLJJEIRUMGPSY-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CCOc1ccccc1Nc1nc2c(s1)CCc1c(Br)ccc(OC)c1-2 408897895 JHNCOOXHTFMEJD-UHFFFAOYSA-N 431.355 5.822 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)c1 408922296 ZDESBLHGYAEILG-GOSISDBHSA-N 440.590 5.056 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971398 NSLARCQXMNIGRX-UHFFFAOYSA-N 425.743 5.446 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 409189738 SDVNFCSBWSJAKL-LRFXARPXSA-N 429.859 5.303 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1OCC 409214620 WMAVAFUHQKGSEU-XLNRJJMWSA-N 425.550 5.543 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3C(F)(F)F)cc2)CC1 409235036 AAVDMMRLQCVLKI-UHFFFAOYSA-N 436.499 5.130 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccncc1 409269432 JJICYAQPMZJALO-UHFFFAOYSA-N 427.323 5.708 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2cccc(Cl)c2)C1=O 409349961 SELXNWHJZBTSRK-PXLXIMEGSA-N 437.948 6.913 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3nccs3)cs2)cc1 585268794 RMEWJQJAWCJGEX-SFHVURJKSA-N 426.611 5.487 0 40 IKAB O=S(=O)(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)C1CCCC1 586124632 YEUVZRYEPKHVCJ-UHFFFAOYSA-N 428.779 5.236 0 40 IKAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(Br)ccc21 643570081 ISBLPKAGUNBWGG-UHFFFAOYSA-N 430.390 5.163 0 40 IKAB O=C(CSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccc(Cl)cc1 801925 YXOFPVARWOCLBC-UHFFFAOYSA-N 435.361 5.495 0 40 IKAB Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccccc1Cl 1379009 AJEQAEVMCLAXPQ-UHFFFAOYSA-N 427.957 5.907 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCC3 2271499 VNSABKIQAYJNIJ-UHFFFAOYSA-N 428.623 6.007 0 40 IKAB CCCOc1ccc(/N=c2\ssc3c2-c2cc(OCC)ccc2NC3(C)C)cc1 2285518 NCTXMCHHPBKWJX-GYHWCHFESA-N 426.607 6.557 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(Br)c3)nc3ccccc3c2=O)cc1 2333486 OFGVLPUNXHTUNN-UHFFFAOYSA-N 437.362 5.749 0 40 IKAB CSc1nc(NC2CCCCC2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2402827 LOPMACAHCCMSGL-UHFFFAOYSA-N 426.655 6.393 0 40 IKAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2415424 KCJYQLGUHSFDIF-DCFHFQCYSA-N 430.312 5.717 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 2420435 IZCPYBGYFBVIRV-ZWKOTPCHSA-N 437.862 5.062 0 40 IKAB O=S(=O)(Cc1ccccc1)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 2423382 AMAKABAAEREESU-SANMLTNESA-N 448.632 5.912 0 40 IKAB COc1ccc(CN(C(=S)NCc2ccccc2)c2ccc(C(C)(C)C)cc2)c(OC)c1 2534568 LRMGMTCPKDSORV-UHFFFAOYSA-N 448.632 6.083 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc(Cl)nc(Cl)c3)n2C)cc1 2570643 DDTIKCUMPPGUFR-UHFFFAOYSA-N 436.368 5.038 0 40 IKAB COc1ccc(-n2nnnc2-c2cnc(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2573738 XYAPDELXHGGGGE-UHFFFAOYSA-N 440.894 5.115 0 40 IKAB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccccc1 3139354 TYWKIYZKPQLUJJ-QFIPXVFZSA-N 448.544 5.099 0 40 IKAB C[C@@H](NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 3230312 BUTBLDYLADGGTI-QGZVFWFLSA-N 439.964 5.667 0 40 IKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1 3230551 CZGCWMKENLTMTP-GOSISDBHSA-N 426.025 6.973 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3323190 AQJCXZIFHYJZHM-OAQYLSRUSA-N 431.517 5.607 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)c4c[nH]c5ccccc45)c23)C1 3329918 LHVTXOSEZWWMDZ-UWJYYQICSA-N 438.600 6.541 0 40 IKAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1cccc(Oc2ccccc2)c1 6173642 WQSCVSRCMGOWHC-UHFFFAOYSA-N 446.528 6.134 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 8198198 LWXBXNYFFARBAF-SFHVURJKSA-N 426.560 7.558 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(-c4ccc(OC)c(OC)c4)n3)o2)cc1 8633358 XIYWOULICJFDNZ-UHFFFAOYSA-N 441.534 5.178 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 8919415 YWOAIROHJWILIC-UHFFFAOYSA-N 432.545 6.403 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 8920911 RDLMXSYGKOQUHY-RCDICMHDSA-N 438.568 7.117 0 40 IKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9514714 ZNBLCDYRDQMHFP-QFIPXVFZSA-N 435.495 5.543 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 9516336 RQXGJTLTVGIHGH-UHFFFAOYSA-N 444.560 5.075 0 40 IKAB Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 9573445 HKYJUZCEHXCTFT-UHFFFAOYSA-N 439.475 5.253 0 40 IKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@H]12 10272223 YGBQOUNQDOEMKJ-WHQUTLJKSA-N 445.430 6.880 0 40 IKAB COc1cccc(NC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 11617425 MOBQEVDZEYFTON-UHFFFAOYSA-N 435.574 6.556 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@@H]21 12196275 YAKMPOFBWBYOOA-GBXCKJPGSA-N 432.476 5.016 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccccc3I)o2)cc1 12273973 BJSQXCMMZHOFJO-UHFFFAOYSA-N 433.245 5.024 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 12285221 WHDCWXDYGBQFQI-MUEFHYHUSA-N 436.511 5.822 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 12469404 GEUNPHAGYYQPKI-WQRHYEAKSA-N 440.724 6.174 0 40 IKAB CC(C)c1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 12897143 DVODQRPRGUKXQI-UHFFFAOYSA-N 448.419 6.311 0 40 IKAB Cc1c(Cl)cccc1NC(=S)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl 13329427 BRNHKVCYUKBLJU-UHFFFAOYSA-N 443.762 6.148 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1Cl 13839179 NXFDOTNKVIBJFD-DEOSSOPVSA-N 429.907 5.314 0 40 IKAB CC1(C)CC2(CCCCC2)N2C(=O)[C@@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162411 JFCNLEUEUKFFGN-MUUNZHRXSA-N 425.576 5.288 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 14495136 GCKDRXHYKBUALR-NRFANRHFSA-N 427.331 5.802 0 40 IKAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 15975089 MXOASUBCAMGIBF-OAHLLOKOSA-N 446.400 6.281 0 40 IKAB O=S(=O)(c1c(Cl)cccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 16088193 JKWRFXGZWHAWQC-LBPRGKRZSA-N 427.378 5.171 0 40 IKAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(C)cc2)N=C1SCc1ccc(F)cc1 16091171 NRPXRQFHEKVQGS-KQWNVCNZSA-N 430.548 6.374 0 40 IKAB O=C(C[C@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl 16477304 FOJZLNSBARGTIK-XMMPIXPASA-N 439.386 6.130 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc5ccccc5c4)cc3n2)cc1 17100299 SPVMABNWDTYIEM-UHFFFAOYSA-N 436.515 5.462 0 40 IKAB Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17103201 SDPDRCNKRAOSEB-JKGUZNAFSA-N 439.364 5.501 0 40 IKAB Clc1ccc(CCNCc2cn3c(-c4cccc(Br)c4)nnc3s2)cc1 17149880 OIOGBQLLWGPJTC-UHFFFAOYSA-N 447.789 5.206 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294100 MNGYMDRLYQAADQ-CVDCTZTESA-N 443.526 5.441 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc([C@H](C)CC)cc2)cc1 19644854 XYQSCQLDNVJKKC-HXUWFJFHSA-N 446.547 5.384 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(OCc2ccccc2)cc1 19647125 JILXRBKICOTHJQ-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 19648313 JKPNQECRHPFTJD-INIZCTEOSA-N 448.954 5.913 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692900 XMAYGGQOXPZTSD-VWLOTQADSA-N 443.934 5.088 0 40 IKAB Cc1nnc2n1C[C@H](c1cccc(C(=O)Nc3ccc(Oc4ccc(F)cc4)cc3)c1)CC2 19698223 CXXGENLUEWLHPR-HXUWFJFHSA-N 442.494 5.500 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(Br)cc2)o1 20139833 MCHDWVOGOPIQQI-UHFFFAOYSA-N 438.277 5.714 0 40 IKAB COc1cc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc(OC)c1OC 21578605 DEPPXVDPHKMRAM-UHFFFAOYSA-N 446.503 5.698 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 22235504 SMYFGXQHJYFNSV-UHFFFAOYSA-N 442.902 5.084 0 40 IKAB Cc1ccc(NC(=O)NC(=O)[C@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c(C)c1 22762379 SXGLJNVKQQLRCH-ZDUSSCGKSA-N 448.470 5.094 0 40 IKAB Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCCCC2)sc2nc(-c3ccco3)nn12 22852516 UQUHWADHGOMIMY-MRXNPFEDSA-N 449.363 5.639 0 40 IKAB COc1ccc(-c2cn3c(CCC(=O)Nc4nc5ccccc5s4)csc3n2)cc1 23234431 SMQMUTQVPRAIER-UHFFFAOYSA-N 434.546 5.252 0 40 IKAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)CC1 24595338 KAOIWVHLFODWDH-UHFFFAOYSA-N 445.635 5.433 0 40 IKAB COc1cc(CCC(=O)N(C)[C@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc(OC)c1 24830959 HUJYDLCZCWONDA-LJQANCHMSA-N 446.547 5.108 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)co2)c(C)c1 24833478 VXPXMUGYIUIPLI-UHFFFAOYSA-N 442.544 6.151 0 40 IKAB COc1ccc(-c2nc(CSc3nncn3-c3ccc(C)cc3C)cs2)c(OC)c1 27594475 HZQDQQWOZBWKHZ-UHFFFAOYSA-N 438.578 5.317 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 32092889 UOTUFHUIBVNWIM-INIZCTEOSA-N 432.377 5.188 0 40 IKAB COCCCn1c(SCc2ncc(-c3cccc(Cl)c3)o2)nc2ccccc2c1=O 32668415 VEVHMNLKBDXXFX-UHFFFAOYSA-N 441.940 5.034 0 40 IKAB CCN(CC)[P@]1(=Nc2ccc(C)cc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693740 BTKXFDILNHZZEZ-ZJXHYCNCSA-N 449.583 6.878 0 40 IKAB Cc1nc(C)c(-c2nnc(S[C@H](C)C(=O)Nc3cc(Cl)cc(Cl)c3)o2)s1 32905927 HGYLZFJAVKWDMM-MRVPVSSYSA-N 429.354 5.236 0 40 IKAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 32967241 QHIVLRLOQJFRMW-HSZRJFAPSA-N 438.955 5.469 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](NC(=O)c1ccccc1Cl)C(C)C 33710733 RUGLPEAXFHQXOB-FQEVSTJZSA-N 443.016 5.679 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c(Cl)c1 34933491 ZLXKVASIWMJDPM-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(C2CCCCC2)[C@@H]1c1ccccc1 35930588 BPODYCZWRPAIBO-MXGGMJLHSA-N 437.627 7.295 0 40 IKAB COc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1Br 37200386 KTHUSIAFKZWJSG-UHFFFAOYSA-N 439.962 6.139 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 38753253 SJWOKKFWSDUUDT-IBGZPJMESA-N 434.967 6.617 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38848527 RPPDREOVHBIOAY-IBGZPJMESA-N 437.436 5.255 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 39748319 YVISTJNWSUKCLK-UHFFFAOYSA-N 428.464 5.281 0 40 IKAB COc1ccc(CCNc2oc(-c3ccc(C)cc3)nc2S(=O)(=O)c2ccccc2)cc1 39844477 UZSTUWXCUXLCOK-UHFFFAOYSA-N 448.544 5.146 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)ccc1OC 49005008 PKDYKCXNFSQNPO-QGZVFWFLSA-N 434.540 5.104 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 59507297 QSDFCYKBMYOCNM-MOSHPQCFSA-N 438.266 5.557 0 40 IKAB Cc1ccccc1Cn1cnc2sc(-c3nc(-c4ccccc4Cl)no3)c(C)c2c1=O 67260419 CJHOVVPDSCVMIJ-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371737 YCTMOKFBBYSNIR-IBGZPJMESA-N 442.007 5.068 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 72372545 QWLFCPKZIDPWOT-OAQYLSRUSA-N 436.581 5.203 0 40 IKAB Cc1cc(C(=O)N(Cc2cccnc2)c2nc3c(C(F)(F)F)cccc3s2)c(C)o1 77099361 DUDOHYINNVVYGA-UHFFFAOYSA-N 431.439 5.767 0 40 IKAB O=S(=O)(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2)sc1-c1ccc(F)cc1 82087239 KMHAFSNMNWSCNB-UHFFFAOYSA-N 443.952 6.244 0 40 IKAB CCCCCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1C[C@H](C)N2C(=O)CC 95115737 RXMCCQKEPKHXNY-MYUZEXMDSA-N 429.564 5.132 0 40 IKAB c1ccc(COc2ccc(CN3CCC(c4nnc(-c5ccsc5)o4)CC3)cc2)cc1 96024400 OZPQLWJEXJDBHR-UHFFFAOYSA-N 431.561 5.757 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N5CCN(Cc6ccccc6)CC5)(C4)C2)C3)cc1 101112730 WMCXGGQXWJTYAW-HVJZFTSCSA-N 428.620 5.177 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 101192962 DKNPZRUGYWSHSX-VHKYSDTDSA-N 444.457 5.157 0 40 IKAB CCCCC[C@@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC 101343528 INXGAHHQCIHNOR-RGTFROLJSA-N 443.631 6.897 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@@H]4CC[C@@H](c5ccccc5)C[C@H]4C3=O)c2)cc1 102643384 KARCJUPLQAHYHT-NQHRYMMQSA-N 438.527 5.321 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102703517 FWPXXWJCAFWHHE-YTFSRNRJSA-N 432.907 5.008 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Br 218822351 IUJTVXCIMBPEAT-UHFFFAOYSA-N 442.378 6.067 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219773197 BXKTVOLXXJFEBV-DEOSSOPVSA-N 437.967 6.445 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 222713550 HVBXVPCBGLKPCX-PUCZYUMASA-N 444.387 6.628 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 223592953 QTUGXZODHZQGDU-HSZRJFAPSA-N 445.003 5.223 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 223634529 XZHJNWGWNLLWNO-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1Cl 224120305 MBONGVRIEADMBD-RCCKNPSSSA-N 426.343 6.038 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)nc1 224292251 WKCXPAVREQTNLL-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224486035 SIZGRAHYKISALL-UXHICEINSA-N 441.398 5.404 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCCC1 224600155 HNFFKWAMFXJDJS-RPBOFIJWSA-N 446.620 5.888 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 224643572 PQKLOYMIWUKBSM-CQSZACIVSA-N 441.786 5.131 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224757905 ZFWJOOQULFDYFQ-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC1(C)C[C@@H](NC(=S)Nc2ccc(CSc3ccccc3)cc2)c2ccccc2O1 225576828 DEPCNCJVMBHSQD-JOCHJYFZSA-N 434.630 6.568 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3C)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 252537011 KDPRDSMFWBZXIQ-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)c2c1 257199783 AAUOQTXCPKVXRK-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2[nH]1 408634750 TXKPJQQHTPCAFC-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3cccc(Br)c3)sc1CC2 409057925 WZJLTZFAYITKML-UHFFFAOYSA-N 429.339 5.241 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Br)C1=O 409062420 UPLKTCNMCYVIQI-YBEGLDIGSA-N 428.348 5.083 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 409368734 KFQOSRFPUDCIIS-UHFFFAOYSA-N 432.236 5.518 0 40 IKAB CCCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OCC)cc1 1547205768 FKELDAVFAYXTQM-HSZRJFAPSA-N 425.569 6.263 0 40 IKAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n21 882890 GPRGOFZALQXORY-UHFFFAOYSA-N 440.572 5.693 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Cl)cc(Cl)c1 901757 KEMMLEHLCXAMKC-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB CC(=O)Nc1cccc(Oc2nnc(Oc3cccc(NC(C)=O)c3)c3ccccc23)c1 948371 VHBCKCSDRRCJCO-UHFFFAOYSA-N 428.448 5.131 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c(C)c1 1256016 XIIJMSSVDIJYSO-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(Cc2ccccc2Cl)C1=O 1342342 VAJOMALBKZJIGK-UHFFFAOYSA-N 426.944 5.107 0 40 IKAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1cccc(Br)c1 1915514 SXXXYUGSMXSJOV-UHFFFAOYSA-N 431.742 5.589 0 40 IKAB O=C(N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054603 DWHZGLDITSEUQS-CQSZACIVSA-N 446.976 6.185 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1OC 2156116 ZWOPBCRGLPKJRD-UHFFFAOYSA-N 430.500 5.981 0 40 IKAB biogenic Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 2290746 HZQYDWXDWMIPLA-UHFFFAOYSA-N 448.313 5.715 0 40 IKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 2371298 MWFOKAYITOYHQX-NGQVCNFZSA-N 442.927 6.547 0 40 IKAB COc1ccc([C@@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2391240 XJCNDWJGARFDTN-FKAPRUDGSA-N 438.508 5.901 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1Cl 2449330 HYRYBVSNWUGUMQ-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CC(C)c1ccc(OC(=O)COc2ccc(Br)cc2Br)cc1 2592791 SUPXGCLYZSKISH-UHFFFAOYSA-N 428.120 5.319 0 40 IKAB CCc1nc2ccccc2c(C(=O)O[C@@H](C)C(=O)Nc2cccc(C(F)(F)F)c2)c1C 2629991 BNAQBNMLUISWNZ-AWEZNQCLSA-N 430.426 5.308 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nnc(-c3ccco3)o1)oc1ccccc12 2639884 BBKBILIUQKXVPV-GFCCVEGCSA-N 435.461 5.357 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCOc3ccc(Br)cc3)n2)cc1 3430625 HZPWTEGOWDLALK-UHFFFAOYSA-N 447.354 5.379 0 40 IKAB CCOc1cccc2cc(-c3nc(-c4ccc(-c5ccccc5)cc4)cs3)c(=O)oc12 6631348 HCGRTLIKEFBDJC-UHFFFAOYSA-N 425.509 6.649 0 40 IKAB COc1cccc(NCc2nnc(SCc3ccccc3F)n2C2CCCCC2)c1 8194686 FERWINLBBRYKCL-UHFFFAOYSA-N 426.561 5.835 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)ccc1Cl 8756305 JDVHAXDHJCOZLP-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB c1ccc(SCc2nc(Sc3nnc4ccccn34)c3c4c(sc3n2)CCC4)cc1 8825704 RCMIOSIRJYIYQZ-UHFFFAOYSA-N 447.614 5.666 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)CC(=O)Nc1ccccc1Cc1ccccc1 8943414 BFTHXTYAKONWHP-UHFFFAOYSA-N 438.575 5.150 0 40 IKAB Clc1cc(Br)ccc1-n1c(-c2ccco2)nc2nc3ccccc3nc21 9075926 QXCPRZBJRJOZGK-UHFFFAOYSA-N 425.673 5.645 0 40 IKAB CCOC(=O)CSc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 9424335 FROFXPZQSRYHBT-UHFFFAOYSA-N 447.651 5.304 0 40 IKAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1NC(=O)c1ccco1 9742096 KMJOBHGWIJXDFY-UHFFFAOYSA-N 429.476 5.001 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 9968684 ZFWBSJHXEZXFNY-UHFFFAOYSA-N 430.508 5.169 0 40 IKAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(Cl)cccc3s2)c1OC 10187580 CUJWTJXSIGLWDA-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3c(C)ccc(Cl)c3s2)cc1 10254351 OUWAZEFOKPWYOG-UHFFFAOYSA-N 435.936 5.703 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C(C)C)cc1 11118853 ACMPVEUKEIPHRH-UHFFFAOYSA-N 434.561 5.187 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(C)n3C3CCCCC3)cs2)cc1OC 12045156 RTNIEMBLMMKFHT-UHFFFAOYSA-N 430.599 5.525 0 40 IKAB O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)N1CCCc2ccccc21 12139470 MYMZVYISGLCHEZ-UHFFFAOYSA-N 446.450 5.054 0 40 IKAB CC(=O)n1nc(-c2ccccc2)c(Cc2nc3ccccc3n2C(C)=O)c1-c1ccccc1 12550329 WKDVCCHIHZMNEC-UHFFFAOYSA-N 434.499 5.478 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)n2)c1 12620697 SKTKMTUWAWSQQO-UHFFFAOYSA-N 433.558 5.993 0 40 IKAB COc1ccc(Nc2nnc(SCc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 12696126 YMRBHXPXBPQJOV-UHFFFAOYSA-N 447.010 6.360 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)cc1Cl 12766872 QMOANKIRUDYUKH-UHFFFAOYSA-N 445.331 5.263 0 40 IKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 12821466 TUARZLAMULEFDZ-NRFANRHFSA-N 437.330 5.841 0 40 IKAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)N(C1CCCCC1)C1CCCCC1 13086440 HDAWJHUVMZNFBO-UHFFFAOYSA-N 448.636 6.211 0 40 IKAB CCN(CC)C(=O)CCCSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1C 13149742 CNIDIMZOYUJRCV-UHFFFAOYSA-N 444.004 5.032 0 40 IKAB Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498413 QHWZKIVHOQPAFX-AREMUKBSSA-N 446.616 5.741 0 40 IKAB Cc1ccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 14153142 LLTGEOPGYWOXBP-UHFFFAOYSA-N 427.740 5.538 0 40 IKAB Brc1cccc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)c1 14241415 UQSDWFHNQNMARE-UHFFFAOYSA-N 430.352 5.915 0 40 IKAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 15323748 XQQYFOHYCUXIHY-UHFFFAOYSA-N 425.937 5.980 0 40 IKAB COc1cc(Cl)c(C)cc1Nc1cnn(C23CC4CC(CC(C4)C2)C3)c(=O)c1Cl 16268076 ANNDIFKVQLYVPJ-UHFFFAOYSA-N 434.367 5.536 0 40 IKAB O=C(Nc1ccccc1N1CCCCC1)c1cc(I)ccc1Cl 16450392 CDDZNUQXYPDOBS-UHFFFAOYSA-N 440.712 5.187 0 40 IKAB Brc1ccc(OCc2ccccc2)c(CNCCc2c[nH]c3ccccc23)c1 16480538 YMUHGEBFPSBCDE-UHFFFAOYSA-N 435.365 5.842 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688458 ZGEJKLMWDLOLRX-JOCHJYFZSA-N 446.374 5.794 0 40 IKAB CN1CCc2c(sc(NC(=O)c3ccc(Cl)s3)c2-c2nc3ccccc3s2)C1 16916150 QAGAXSDPXGZNAE-UHFFFAOYSA-N 446.022 5.980 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 17097720 UUAGKTYEPLJQQD-UHFFFAOYSA-N 431.901 5.476 0 40 IKAB Cc1ccc(NC2=NC(=O)C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)S2)cc1 17147648 UVOVCYCROCDOQI-OAHLLOKOSA-N 441.862 5.106 0 40 IKAB aggregator O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 19369010 KREASIPEBIGUKX-FUDKSRODSA-N 438.543 5.157 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(Br)cc2)cs1 19637624 LZOUJIPUFDCXPD-UHFFFAOYSA-N 443.153 6.523 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140060 FJVNQJAXOSFCJB-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc(-c2cccnc2)no1 22461034 PJCTVTHVLFWTSN-UHFFFAOYSA-N 441.274 5.123 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(Br)cc3)o2)cc1C 26623598 MVMXVRKHWXSNBP-INIZCTEOSA-N 427.342 5.531 0 40 IKAB C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nn2c(-c3ccncc3)nnc2s1 27024047 KAWAXHYIKYZLRV-VAWYXSNFSA-N 447.527 5.271 0 40 IKAB CCOc1cc(/C=C/C(=O)c2ccc(I)cc2)ccc1OC(F)F 28296433 IGEPEPOGHKGDNS-YCRREMRBSA-N 444.215 5.187 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Sc2ccc(Cl)cc2)sc2c1CCCC2 30873148 RAJHEKMMDQOASB-MRXNPFEDSA-N 438.014 5.966 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@@H](C(F)(F)C(F)F)C2)cc1 33434155 FYZYLZYTAQDYCB-GOSISDBHSA-N 435.446 5.702 0 40 IKAB CCOc1ccc(-c2csc3c(=O)n(CCOc4ccccc4)cnc23)cc1OCC 38654795 YKYFMULNVNFQGE-UHFFFAOYSA-N 436.533 5.001 0 40 IKAB Cc1ccc([C@H](c2nnnn2Cc2ccccc2)N2CC=C(c3ccc(F)cc3)CC2)cc1 57613829 YZGNFPYAFSQLJZ-AREMUKBSSA-N 439.538 5.048 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2ccccc2c1 59268325 JATCJQUHFVWKED-UHFFFAOYSA-N 430.316 5.927 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(OC(F)(F)F)c2)nc1 67296584 FTLJKBPGABEDTN-SLMZUGIISA-N 439.393 5.520 0 40 IKAB Cc1ccccc1N1C(=O)N[C@H]2c3ccccc3O[C@@]1(C)[C@@H]2C(=O)Nc1ccc(Cl)cc1 101353278 NGTPIJGBGXCOCC-HWBMXIPRSA-N 447.922 5.283 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccccc1Br 106730719 OGBSNTYKDYBAHY-UNOMPAQXSA-N 440.318 5.946 0 40 IKAB Cc1cccc(N2C(=O)N[C@H]3c4ccccc4O[C@@]2(C)[C@H]3C(=O)Nc2ccc(C)cc2C)c1 106937561 ISNRVOFMZWONEZ-DXBVXKBHSA-N 441.531 5.246 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 222407819 HVKRYKXIKHUHTB-SANMLTNESA-N 430.592 5.413 0 40 IKAB Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)cc1 223994630 KDNMZKRALIZARO-UHFFFAOYSA-N 430.621 6.322 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 224379228 PBIBUSAKLYOAJS-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224459138 QQPRWWFUHZMFQB-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224621169 CKEQNXXZLFDHNS-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224665650 NAOOFDKVTYIBKP-QFIPXVFZSA-N 436.596 5.020 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224725729 YOFLCHXUHCFNBI-QHCPKHFHSA-N 429.004 5.161 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)c3ccc(Cl)cc3)n2)cc1 225201478 NSADMWVLJQOJRV-HNNXBMFYSA-N 441.988 5.628 0 40 IKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225565021 NKXXWTMGKNYQCE-UHFFFAOYSA-N 430.923 6.065 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2ccc(Br)cc12 253536089 IBEREMJOHHTTAG-UHFFFAOYSA-N 436.092 6.332 0 40 IKAB C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)O 257246280 ITKXYCXNQFELCP-INIZCTEOSA-N 441.886 5.346 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@H]3c3ccc(Cc4cccc(F)c4)cn3)ccc21 257285118 PFSRHIWDKBOXAM-SANMLTNESA-N 429.539 5.171 0 40 IKAB CC(C)n1cc(CN2CCO[C@@H](c3c(C(N)=O)sc4ccccc34)C2)c2ccccc21 257297229 RGKSPXQHFLTNSB-OAQYLSRUSA-N 433.577 5.109 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2ccc(F)cc2)O1 257320269 VVZJCVMTMSLISM-ARNLJNQMSA-N 443.515 5.190 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]32)C1 257350517 YAXRKAKOIWXVHL-CAICUZAUSA-N 440.712 7.982 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647796 XLYDVJFLQFVHNY-FQEVSTJZSA-N 444.531 5.486 0 40 IKAB CCCCOc1ccc(C2=N/C(=C/c3ccccc3OCc3ccccc3)C(=O)O2)cc1 409003500 HPBFVJNRLVYALX-HKOYGPOVSA-N 427.500 5.789 0 40 IKAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)N(C)C1=S 409030479 FVQDZXAHIGPWNE-YVLHZVERSA-N 439.339 5.131 0 40 IKAB Clc1ccc(-c2nnc(SCCOc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409097841 NPZQMDDXGIZHHE-UHFFFAOYSA-N 442.371 6.412 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 409098866 MLFIOOGDQSVSNI-UHFFFAOYSA-N 446.551 5.290 0 40 IKAB CC(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409341401 BPMQWEUVJHLKJO-LJAQVGFWSA-N 432.567 7.176 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)C2=O)cc1 409375634 NHUORBDXDNEFAC-FMQZQXMHSA-N 446.311 5.645 0 40 IKAB Cc1cc(C)c(C2=Cc3ccccc3[C@@H]2P(C2CCCCC2)C2CCCCC2)c(C)c1 575408797 UYQOVYNSWIOQOQ-PMERELPUSA-N 430.616 9.354 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(Cl)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265107 VERXMSKELNNDBQ-DWQJTFDBSA-N 444.955 5.860 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)Nc2ccccc2)cc1 883985 IORVZRKFUXMDAB-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB C[C@@H](NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)c1ccccc1 885358 IVWSKJSGLUWAKD-CQSZACIVSA-N 443.494 5.231 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 892263 JZEPBOPBLWOJRB-UHFFFAOYSA-N 437.710 5.521 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 1314043 YIMLTNRYPJOBQU-UHFFFAOYSA-N 442.700 5.487 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 1333673 YTJAHNHPRRBGTN-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB aggregator Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 1371287 CPCLQDRNFRFRMM-UHFFFAOYSA-N 431.561 5.118 0 40 IKAB COC(=O)c1c(NC(=O)c2csc3ccccc23)sc(C)c1-c1ccc(C)cc1C 2107665 XJYZNCALPOIUMB-UHFFFAOYSA-N 435.570 6.594 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)ccc12 2149849 SGHAGIXXWWCYHU-GOSISDBHSA-N 431.529 5.043 0 40 IKAB biogenic Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C)C3)cc1 2185826 KAVDOYAAMZVFRE-OAHLLOKOSA-N 438.980 6.339 0 40 IKAB CC(C)Oc1ccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1 2233605 HBHMUNSNLQLQLI-UHFFFAOYSA-N 432.523 7.543 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccs3)n2Cc2ccco2)c(C)c1 2383245 XEFUTQAKYORDGI-UHFFFAOYSA-N 438.578 5.304 0 40 IKAB Cc1ccccc1Cn1c(=O)c(N2CCOCC2)c(-c2ccccc2)c2cc(Cl)ccc21 2405718 FFQPREJCKUQREK-UHFFFAOYSA-N 444.962 5.515 0 40 IKAB C=C1S[C@@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccc(Br)cc1 3014894 VIWJQVUMALMTIG-INIZCTEOSA-N 429.261 5.598 0 40 IKAB O=C(CSc1cccc(C(F)(F)F)c1)Nc1nc(-c2ccc(Cl)cc2)cs1 3047533 VYNDPIOJBVPZQQ-UHFFFAOYSA-N 428.888 6.213 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 3352048 XQOBXFNGIGSIKL-SFHVURJKSA-N 446.551 5.276 0 40 IKAB CC(=O)Oc1c(Cl)cc(Cl)cc1Sc1cc(Cl)cc(Cl)c1OC(C)=O 4181888 YOXZQWUFEYTSLL-UHFFFAOYSA-N 440.131 6.302 0 40 IKAB COc1ccccc1[C@@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@H](C(C)C)C1 5033383 BDEBULATKWBYRH-UIOOFZCWSA-N 427.560 5.346 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1CC(C)C)c1ccccc1 8724669 CMDWIZKJFDVPMC-OAQYLSRUSA-N 440.588 5.442 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)c2cccs2)c1 8783014 JYQQAGGPXAPCLP-MPCDZSKCSA-N 449.572 6.163 0 40 IKAB O=C(/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1)N(c1ccccn1)c1ccccn1 9090854 MDPJOFJGASDFLR-RELWKKBWSA-N 443.453 5.984 0 40 IKAB Cc1cccc(NC(=O)Cn2c([C@H](NC(=O)c3ccccc3)C(C)C)nc3ccccc32)c1 9271957 GTDZNVZZFRKPLU-RUZDIDTESA-N 440.547 5.111 0 40 IKAB c1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5cccs5)nc4c32)cc1 9281036 LYKUJNBACUZJCG-NRFANRHFSA-N 432.508 6.292 0 40 IKAB CCc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9446270 HIEWMRRLAMHLHU-QHCPKHFHSA-N 444.918 5.458 0 40 IKAB O=C(Nc1nnc(-c2ccccc2Cl)o1)c1cc(-c2ccccc2)nc2ccccc12 9471840 RVLGQIPNAZBZIZ-UHFFFAOYSA-N 426.863 5.858 0 40 IKAB C[C@H](Sc1ncnc2cc(-c3ccc(Br)cc3)sc12)C(=O)N1CCCC1 9548559 HTYWGRAZKOPEDB-LBPRGKRZSA-N 448.411 5.224 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccccc1 9600865 SSDOYXMSECTEGS-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)C1CCN(C(=O)c2cccs2)CC1 9797741 MNNUQHZHSGLUKD-UHFFFAOYSA-N 447.585 5.516 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3n2)cc1 10035126 GZNPBSYZXMJREE-UHFFFAOYSA-N 440.547 5.794 0 40 IKAB COc1cc(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCCC3)c(OC)cc1Cl 10430844 NSSJYPNPNBCENH-UHFFFAOYSA-N 443.906 5.203 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 11059557 LKBMGMLWINKEPM-UHFFFAOYSA-N 431.923 5.974 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC 11866289 XMLWXXSHUFIWPS-UHFFFAOYSA-N 442.515 5.729 0 40 IKAB biogenic Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 11867430 VGHKZCGXYNQRNX-UHFFFAOYSA-N 435.495 5.186 0 40 IKAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccccc1Nc1ccccc1 12658455 FGOMWPJXOQXTID-UHFFFAOYSA-N 428.532 5.068 0 40 IKAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(F)c(Cl)cc1Cl 12691523 NFRGXNSTJKBTRP-LLVKDONJSA-N 426.706 5.522 0 40 IKAB Fc1ccc(OCc2nc(CN3CCC(c4nc5ccccc5s4)CC3)cs2)cc1 12895781 SBPLGBZTJWMHEI-UHFFFAOYSA-N 439.581 5.851 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1cc2c(s1)CCCCC2 13095982 WIZDSFBFSLCYBU-UHFFFAOYSA-N 444.906 5.400 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13114507 ZQYKLENGNPYRAR-OPAMFIHVSA-N 442.540 5.584 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CC1 13117071 LSJBHBOMQOZQPY-UHFFFAOYSA-N 427.892 5.415 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 13120403 ZBTDLRARAOMNSE-JOCHJYFZSA-N 436.874 5.333 0 40 IKAB CC(C)CN(C(=O)c1cccc(Cl)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 13510056 CWCTWMPBTVEQNB-UHFFFAOYSA-N 428.001 6.459 0 40 IKAB COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccc(Cl)cc1 13845278 PMTPRWKFDZDBSC-UHFFFAOYSA-N 436.733 5.573 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Cl)cc1Cl 14070165 UAWUKMDUFFBYDV-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(C)C)ccc1Cl 14154207 PKYWOBONVRWQSY-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)c1 15729403 WHTFHXACWQWUAO-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic COc1ccc(CCN(C)C(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 15846378 OGYMXOZBRWRDBS-UHFFFAOYSA-N 426.516 5.234 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OCC(C)C)c4)c3)nc2c1 16610896 XLCRVQNHUMOTNK-LJQANCHMSA-N 442.559 7.295 0 40 IKAB CC[C@@H](CCNC(=O)Nc1cccc2ccccc12)NC(=O)Nc1cccc2ccccc12 16611317 QHEVJILSNLAUDD-NRFANRHFSA-N 440.547 6.105 0 40 IKAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 16688693 UKAUSAXXEJDZEU-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccc(OC)cc1 16752752 FTTJGCKJTMQJOA-UHFFFAOYSA-N 430.441 5.162 0 40 IKAB COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccco1 16753663 VAOFSAGICGARMY-UHFFFAOYSA-N 438.420 5.171 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccc(C)cc3C)c2c1 17025945 NBWZFAVFQDKMGN-UHFFFAOYSA-N 447.604 6.136 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(OCc3ccccc3C)cc2)C(=O)O1 17086195 WYQDBBDIGFFJPE-LPYMAVHISA-N 433.891 5.581 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2ccc(Cl)cc2Cl)cc1 17096315 AVRWTBBBECPEEL-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc(F)cc2s1 17098309 PORZPOGTUFXWGZ-ZZXKWVIFSA-N 433.291 6.654 0 40 IKAB CCCCc1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 17099448 JMKUEZUWDJLJBU-UHFFFAOYSA-N 435.387 5.236 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19082272 APXGMXGYVLNWBD-NBMJBFSESA-N 438.538 5.279 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742446 YWEMIEDLZBCAGE-DEOSSOPVSA-N 440.526 5.390 0 40 IKAB O[C@@H](CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 25223211 NJYHKWVDLCTUJQ-IBGZPJMESA-N 429.904 5.205 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30945427 YQVCDZDUYGSSGH-GFCCVEGCSA-N 432.178 6.151 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116724 KJOCPZHNCVCLRW-UHFFFAOYSA-N 443.135 5.058 0 40 IKAB CSc1ccccc1NC(=O)CN(C)C(=O)/C=C/c1ccc(OCc2ccccc2)cc1 32964039 QVADDVDYWIJTBA-SAPNQHFASA-N 446.572 5.098 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)c(C)c3)sc2c1 33000764 VYVHSTHXFZUBLI-UHFFFAOYSA-N 427.595 5.773 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@H]2CCCCO2)cc1 34715064 QVCHORBSQKEPHF-DIVQNALZSA-N 434.605 6.164 0 40 IKAB CCc1cccc(C)c1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 35463017 GKENTGCEAYHJCT-UHFFFAOYSA-N 428.561 5.879 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@]21C 36402613 VKHAHZOOUSRJNA-CLPQFWGYSA-N 429.604 5.407 0 40 IKAB biogenic,in-vitro COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849404 HBAMBDYHLFKXKG-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB Fc1ccccc1CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 59474537 UIUGKTYOIFODNL-UHFFFAOYSA-N 440.341 6.128 0 40 IKAB Cn1cc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 72330428 SJVXRBDLXUORKH-DFBJGRDBSA-N 444.604 5.018 0 40 IKAB Cc1ccccc1N1C(=O)/C(=C/c2ccc(F)cc2)N=C1SCc1ccc(Cl)cc1 96905134 GJSGECCTKQPBIW-STZFKDTASA-N 436.939 6.465 0 40 IKAB COc1ccc(CNC23C[C@H]4C[C@@H](C2)CC(C(F)(F)F)(C4)C3)cc1OCc1cccnc1 97164455 ODDMKSWBXASUEF-TUUBTQOTSA-N 446.513 5.660 0 40 IKAB COc1ccc(C2=NN(C(=O)C3C4CC5CC(C4)CC3C5)[C@H](c3cccc(OC)c3)C2)cc1 97165260 QPZFTRJIBJABMA-TVRNDTQASA-N 444.575 5.454 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 102775248 SIEROZRAJQYOLF-WXTAPIANSA-N 428.488 5.858 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2CC)cc1 108279086 XMJMEEFZGYHMCL-CQSZACIVSA-N 436.408 6.600 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1cccc(OCc2ccccc2)c1 218979933 OOUIGDXJROHLTI-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB CCCc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 223396091 QFSAEVMYUXTTTA-UHFFFAOYSA-N 440.008 6.394 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223403241 BLJISOYEGSDNLO-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccc(Br)cn1 223995167 JLWNLGWEZGOWDU-UHFFFAOYSA-N 438.822 5.686 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224224203 IINSQTUCSXYDGA-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 225665097 FOXVPPPLGNMKTQ-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2cccnc12 225871001 WDCPRPDIGUSABU-UHFFFAOYSA-N 429.347 6.391 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2cccc(Br)c2)c(Br)c1 226334596 URNCIBVOXQKTCF-VQHVLOKHSA-N 440.131 5.367 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@@H]1c1ccccc1C 226778661 XXAJFVBDXNMJEA-RUZDIDTESA-N 435.527 5.510 0 40 IKAB Cc1nccn1Cc1cccc(C(=O)N2CCC[C@@H](Cc3cccc4cccnc34)CC2)c1 257278775 ODQLFLLVYPOQBX-JOCHJYFZSA-N 438.575 5.273 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408577290 SFMWSLHQCBHECU-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CCOc1cc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1OC 408601144 ITGWBZWQZAINNT-VZUCSPMQSA-N 431.576 6.214 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408635687 HGTMOWFAEDANDQ-UHFFFAOYSA-N 448.547 6.579 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)cc1 408697482 JSAPPLDVDQTHEA-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c2ccccc21 409135370 UPUDRFVDEMQZMV-GRSHGNNSSA-N 440.908 5.099 0 40 IKAB Cc1c(Br)ccc(NC(=O)CSc2ccc(Br)cc2)c1C 409178973 LRXIPZUULOILKE-UHFFFAOYSA-N 429.177 5.559 0 40 IKAB Fc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409206643 ZEDURJJHNYBKPK-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)o1 409215000 ZBOSOZBHWJSINR-STZFKDTASA-N 433.485 5.232 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 409244263 AHQXKSFKMXFZBT-HMAPJEAMSA-N 434.948 5.893 0 40 IKAB O=C(N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2cccc(F)c2)CCCC1 1848355745 BMRRBOQCKYXQLN-VWLOTQADSA-N 447.529 5.521 0 40 IKAB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1CCc1ccccc1 950094 RBKQBICZXYKFIP-UHFFFAOYSA-N 447.629 5.816 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)C(Cl)(Cl)Cl 1299968 HMFDCNBRNORLCR-UHFFFAOYSA-N 440.113 6.610 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 1356093 OHYPZDKWUBFHQL-UHFFFAOYSA-N 429.545 5.556 0 40 IKAB O=C(Cc1ccccc1)Nc1cccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)c1 2068060 PXVFTZHHFWBQPS-UHFFFAOYSA-N 449.506 5.575 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2232333 KOMAJRICJUILCH-UHFFFAOYSA-N 446.551 5.928 0 40 IKAB CCCCCCOc1ccc(OC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 2286710 HECBLVHOSXPEBR-UHFFFAOYSA-N 436.935 6.749 0 40 IKAB C[C@@H]1CCCc2sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 2293645 HKVONZJQCHGVRA-QGZVFWFLSA-N 432.614 6.222 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1sccc1SCc1c(Cl)cccc1Cl 3047269 GORMIQRABWJLPB-UHFFFAOYSA-N 430.328 6.878 0 40 IKAB Cn1nc(-c2ccccc2)c(COC(=O)c2ccccc2Cl)c1Oc1ccc(F)cc1 3048582 FQDKIPMLKLGYKI-UHFFFAOYSA-N 436.870 6.029 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3317885 NSVMKBHREBHMKQ-UHFFFAOYSA-N 432.501 5.158 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2cccs2)n1-c1ccccc1 3342139 UBUMRAGYBWZUFO-UHFFFAOYSA-N 448.617 6.124 0 40 IKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)-c2cc(F)ccc2S(=O)(=O)C3)cc1 3437713 LHECYWAMKKZYCX-UHFFFAOYSA-N 435.545 5.854 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)c1 3443196 RIXLMCQBNHZMAT-QHCPKHFHSA-N 448.588 7.038 0 40 IKAB CC1=C(C(=O)OC2CCCCC2)[C@@H](c2c(F)cccc2Cl)n2c(nc3ccccc32)N1 4768000 QKQNUXQQFNBGAU-QFIPXVFZSA-N 439.918 5.994 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1OCC 4783919 KXIMFFUCPHXCKB-BTYIYWSLSA-N 428.598 6.125 0 40 IKAB COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Cl)cc3)C2)cc1 6924897 AGZSEZUQYDOITD-QFIPXVFZSA-N 430.857 6.723 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccccc1 8831177 HBJZAWVNHMXTTQ-UHFFFAOYSA-N 449.535 6.289 0 40 IKAB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3Cl)=NN12 8837187 HPWJZRONDPQFTE-IBGZPJMESA-N 446.776 5.068 0 40 IKAB Cc1ccc(Cn2c(SCc3nc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 8954426 CPYKHTSJHJJWOZ-UHFFFAOYSA-N 440.528 5.096 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(I)cc3)[nH]2)cc1 9199363 LVWOSYKSRNQXBJ-UHFFFAOYSA-N 449.361 5.666 0 40 IKAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1C 9225611 OZLDAJDGPXNNLL-VWLOTQADSA-N 448.975 5.436 0 40 IKAB Cc1nc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3)[nH]c2cc1Br 9307187 HHPLNBKEZXCTOG-UHFFFAOYSA-N 431.142 5.311 0 40 IKAB Cn1cccc1C(=O)O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 9540212 XNNVEWNDKVNENH-SFHVURJKSA-N 436.817 5.234 0 40 IKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1c(Cl)cccc1Cl 9585511 VZIVNDJHWZCGQO-UHFFFAOYSA-N 426.727 5.641 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 9789033 LTHIHCXYTQSMSR-OAHLLOKOSA-N 443.576 5.369 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)c3)nc2c1 10035196 ICWQXEWKKGXLQD-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3C[C@@H]2C)cc1 10326654 JSUAFQDHKNPSCL-INIZCTEOSA-N 440.952 5.041 0 40 IKAB Brc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 12311553 WUIQURYJVNFTOS-UHFFFAOYSA-N 449.398 7.257 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)c(C)c1 12493992 MBNUINKXQCRNSU-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1C 12868776 YBWCZQDUNGDCQH-PMERELPUSA-N 449.550 5.772 0 40 IKAB C[C@@H]1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccccc2S1 13031366 KWVUJFVHWQFRSD-SNVBAGLBSA-N 445.755 5.116 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Cc1coc3cc(C)ccc13)CC2 13039376 NRJHPFVQJIMFPC-SANMLTNESA-N 447.556 5.537 0 40 IKAB Cc1cc(C(=O)COC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)c(C)n1C 13076018 QINXWRBURYMPNP-IBGZPJMESA-N 444.881 5.177 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13098204 GHOZMJUQJGWOOJ-UHFFFAOYSA-N 448.953 7.075 0 40 IKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12)Nc1ccccc1N1CCOCC1 13114548 CYEWTFRUCJSDBX-UHFFFAOYSA-N 443.522 5.382 0 40 IKAB COc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)n1 13128570 VQGXVGDECSHPGY-GFCCVEGCSA-N 440.550 5.274 0 40 IKAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)Nc1c(F)cccc1F 13130162 YGVPWUDDNQDFKX-UHFFFAOYSA-N 428.508 5.324 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2)S1 13149288 YHRWKLBQDMVIOB-VJVXGRLZSA-N 425.513 5.381 0 40 IKAB CC(C)CCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 13282012 UCOQBLQYAUMNNI-UHFFFAOYSA-N 429.655 6.428 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1Br)c1ncoc1-c1cccs1 13565404 OZCJJXZBDDNJFN-UHFFFAOYSA-N 433.205 5.317 0 40 IKAB COc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 13898157 PXMBUXYLXUZMNC-CJLVFECKSA-N 449.890 5.151 0 40 IKAB O=C([C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCCC1 14084402 UQDOPPVSOMZQFQ-OAQYLSRUSA-N 436.556 5.265 0 40 IKAB CC[C@H](c1nnc(SCC(=O)c2oc3ccccc3c2C)n1Cc1ccccc1)N(C)C 14186186 HZADSRJTJRKODY-HXUWFJFHSA-N 448.592 5.369 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)CCC(=O)c3ccccc3)cc2)c1C 14405290 YHDCQBPDMWEBDD-UHFFFAOYSA-N 446.551 5.154 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Sc2ccccc2)nnc1-c1ccccc1 15277304 JSSDEOZFXRCFLG-UHFFFAOYSA-N 432.574 5.364 0 40 IKAB Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCCN2CCOCC2)cc1 15304106 NBMKXXNPCKSCQZ-LVWGJNHUSA-N 448.419 5.478 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nc2c(-c3ccccc3)csc2c1=O 16845122 CEIRGSLGTGDJSD-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N=C1O 17015928 KBJAQLMPKAXCQQ-NDENLUEZSA-N 435.574 5.964 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NCc1ccccc1 17097420 AEBPFAXOGVOGQX-DHZHZOJOSA-N 431.344 5.458 0 40 IKAB Fc1ccc(-c2cnc3c(c2)[C@@H](NC2CCCC2)n2nc(-c4ccncc4)nc2S3)cc1 19336722 SAAOQJTYEQZVRN-QFIPXVFZSA-N 444.539 5.085 0 40 IKAB CC(C)CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 19446680 IQLQYDGKGCAMOU-QHCPKHFHSA-N 434.411 5.504 0 40 IKAB COC(=O)c1sc2cc(NC(=S)N3c4ccc(F)cc4CC[C@H]3C)ccc2c1Cl 19648345 LALNJPKXGVYOMP-LLVKDONJSA-N 448.972 6.019 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1cccc(NC(C)=O)c1 19928694 VPZXUVUZSRGHOL-UHFFFAOYSA-N 449.363 5.205 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 19929301 WGSOUHPPJUGGLA-UHFFFAOYSA-N 449.319 5.606 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@@H](c2ccccc2)c2ccccc2C)c2ccccc2)cc1 20110924 RGJHINZBDWTXQD-JIMGHXBBSA-N 433.551 6.450 0 40 IKAB COc1cc([C@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 20228691 OEDFWOKQVJHDQD-FPUALCIBSA-N 444.527 6.149 0 40 IKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccc(F)cc1 22110050 RISPHBGNCZNWDB-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4cc(-c5ccccc5)sc4c(=O)n3C)n2)c1 23127077 QYOHHUHGCYQASW-UHFFFAOYSA-N 446.557 5.313 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c1C 23292217 RYCSKYSCBDIEFB-HSZRJFAPSA-N 437.584 5.093 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(Cl)cc12 27793654 RAMRSDOZUOXTPL-NRFANRHFSA-N 428.919 6.438 0 40 IKAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)cc12 27976897 OFSSAVSEJYGMHW-UHFFFAOYSA-N 425.248 5.829 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1cc(Cl)c(Cl)cc1Cl 28831385 JFUHTDLOLGLNMJ-UHFFFAOYSA-N 448.162 5.816 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 32092891 UOTUFHUIBVNWIM-MRXNPFEDSA-N 432.377 5.188 0 40 IKAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2cccc(Cl)c2)n1 33325074 QFYMETHKFZEDHT-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCCCOc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1Cl 35673096 BLAABAWXCPFBBT-UHFFFAOYSA-N 447.362 6.333 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)cc1 36611566 KEUBDZJHCFLYII-UHFFFAOYSA-N 429.951 6.434 0 40 IKAB Cc1cc2nc(Sc3nnc(-c4cccc(Br)c4)o3)c3ccccc3n2n1 40071556 CEWDCQBOVXHWSV-UHFFFAOYSA-N 438.310 5.155 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(Cl)cc2)cc1 40485731 SXKGYPJAZIQARA-JOCHJYFZSA-N 440.326 6.055 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(Cl)cc2)cc1 40485733 SXKGYPJAZIQARA-QFIPXVFZSA-N 440.326 6.055 0 40 IKAB O=C(N[C@H](Cc1cc2ccccc2s1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320792 SLIYDUSATINDBZ-HSZRJFAPSA-N 443.524 5.436 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44911478 DXXLYZIICHKYNT-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CSc1ccc([C@@H]2CC(=O)N(c3ccc(F)c(Cl)c3)c3c2sc(=O)n3C)cc1 49549187 GHEXQCARAAHFCA-AWEZNQCLSA-N 434.945 5.162 0 40 IKAB Cn1c(CCCNC(=O)CC2(n3cccc3)CCC(C(C)(C)C)CC2)nc2ccccc21 96232286 FOMYCKIOLAKXKC-UHFFFAOYSA-N 434.628 5.446 0 40 IKAB COc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1OCc1ccccc1 101513937 YZENKZBTWPYRNQ-JOCHJYFZSA-N 428.467 5.061 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Oc1ccc2oc3ccccc3c2c1 102314132 IEISKAJRSPGNMJ-FNZWZJOASA-N 439.349 6.615 0 40 IKAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2ON1c1ccccc1 102763389 IRKTWDNRKMSRGK-TWJOJJKGSA-N 434.495 5.199 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(SC)cc2)cc1 103177143 IELBFTGGLDGNHY-ZCYQVOJMSA-N 432.545 5.668 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 139056013 LQRINRQMINOOPY-PBFVBANWSA-N 446.330 5.020 0 40 IKAB CC[C@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219163629 OUSDQQLNZDLFET-QHCPKHFHSA-N 448.588 5.055 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl 222842815 KVSCSJYQCPLGPU-CYBMUJFWSA-N 432.800 5.772 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223399261 YOWBDRJPACNHGU-ZEQRLZLVSA-N 429.520 5.653 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Sc4ccccc4)nc3)CCCC2)cc1 223984458 NKCBBINSLADYJX-UHFFFAOYSA-N 437.609 6.170 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224107773 KREGDJISUOFLGD-IBGZPJMESA-N 447.044 5.402 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)nc1 224226995 NCVHQOZXJAGVAK-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)s1 224228316 HRTHBYZOWMTSCH-UHFFFAOYSA-N 445.441 5.196 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cc(C)cc(C)c1C 224276455 GGVUITCVYNSMFN-UHFFFAOYSA-N 425.528 6.605 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224574927 UNDUDHYAHUFUDY-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc2c1 224614905 MVMQKSMQWVABTQ-UHFFFAOYSA-N 426.719 5.065 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 224820920 YERWPHVOQRJBSD-LJQANCHMSA-N 442.600 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225075347 NHJVRUVGARWBEL-VXKWHMMOSA-N 436.640 5.557 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccc(CSc4ccccc4)cc3)ccc21 225131382 NDUILYDBEWKVAT-UHFFFAOYSA-N 434.586 6.189 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225211203 UKIPRWVOIRVOTQ-UXHICEINSA-N 444.616 5.008 0 40 IKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225557026 YJSRKLJSDYJFSQ-UHFFFAOYSA-N 436.379 6.249 0 40 IKAB O=C(Cc1cccc(Br)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 225620179 ONEFPIPMMANYDS-UHFFFAOYSA-N 428.301 5.026 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257250269 JLVGBOWJNCLSQS-NRFANRHFSA-N 443.978 5.756 0 40 IKAB S=C(c1cc(Br)ccc1OCc1c(Cl)cccc1Cl)N1CCCC1 408571498 BHXTXZJNZDNHMU-UHFFFAOYSA-N 445.209 6.106 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c(C)cc1Br 408647589 SQKPTAXPPZCYIL-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Br)cc2)c1 408699387 TZTIJQAVNDSVNQ-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB COc1ccccc1/C=C1\N=C(c2sc3c(Cl)c(OC)ccc3c2Cl)OC1=O 408968990 FIYXMSGBSOYORK-XFXZXTDPSA-N 434.300 5.570 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409170125 TVYQSSZBGJYDTA-UHFFFAOYSA-N 443.956 5.264 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1 409176091 HEGFUUXIXMTXHL-UHFFFAOYSA-N 427.463 5.764 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OCC 409190401 YKEBFFYSQDXUKD-GZTJUZNOSA-N 438.332 6.032 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1C 409196522 OQIKTVIDYDAWQP-UHFFFAOYSA-N 440.568 6.696 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c1 409378574 QGSFNCSURMPXRK-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1ccc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)cc1 643582347 UDKKZXWCHSXTDO-QHCPKHFHSA-N 436.596 5.187 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1Cl 684392 IOYXCYJUDFIQPV-IBGZPJMESA-N 447.347 5.402 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)N1CCCc2ccccc21 890847 NLCWANVYEGEXNH-UHFFFAOYSA-N 447.457 5.373 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccc(Cl)cc1 1380111 SDNWTCAAWVRIDM-QFIPXVFZSA-N 440.902 5.519 0 40 IKAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 1380129 XZZVJHFRIPRXPH-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2oc1=O 1953161 YVIRYJPENCSDDC-UHFFFAOYSA-N 437.448 5.090 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3C)nc2c1 2050790 ZALIBZDSTVFDSB-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3occ(-c4ccc5ccccc5c4)c3cc12 2293881 SEGJNPXRINLNSZ-UHFFFAOYSA-N 430.503 7.567 0 40 IKAB Oc1cc2ccccc2cc1-c1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 2331424 WYIDRJKVHBZEGB-UHFFFAOYSA-N 447.285 5.296 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2)N1c1nc2ccc(Cl)cc2s1 2333986 UIXUCCUWCSQZAC-FQEVSTJZSA-N 444.899 5.806 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cccc(OC)c1 2444706 FVXFGKOYMYSPRI-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1ccc(CN(CC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 2451308 MELNCSQLWODLBZ-NDEPHWFRSA-N 449.566 6.192 0 40 IKAB Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OC(C)C 2484247 CJHJXUIJCTWCQG-UHFFFAOYSA-N 429.538 5.405 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H]2CCCc3ccccc32)c2ccccc2n1 2760245 KGXWYEQMBSLNMB-VWLOTQADSA-N 436.555 6.496 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1sccc1SCc1ccc(Cl)c(Cl)c1 3104166 LTDOWEJFKQCVGF-UHFFFAOYSA-N 428.793 7.253 0 40 IKAB CC(C)c1ccc([C@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 3330751 FOAJEJSOLTWMDN-IEBWSBKVSA-N 447.423 5.320 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)Oc4cccc(Cl)c4Cl)CC3)c2c1C 3426533 IWDZHNBXKNYEFD-UHFFFAOYSA-N 436.364 5.437 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 3446843 AIBBLDAVWHKKHQ-KKSFZXQISA-N 445.592 5.856 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)c1 4209053 TYIVEGZERXNDLS-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB c1ccc(N(c2ccccc2)c2nc(N3CCCCCC3)nc(N3CCCCC3)n2)cc1 4551789 FUXCTSHAGFPLQB-UHFFFAOYSA-N 428.584 5.712 0 40 IKAB CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCCC3)cc2c1CCCCC2 4649429 DSMAJMDURRDKKR-UHFFFAOYSA-N 426.695 7.292 0 40 IKAB CC(C)COC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 6150412 GVNSEWHIIQJHIW-UHFFFAOYSA-N 429.307 5.276 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2C)n1-c1ccccc1 6444241 AQRUUMAGKDGPHL-LJQANCHMSA-N 428.561 5.670 0 40 IKAB C(=C1\CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1)\c1ccccc1 8399493 XHZACPFETSQKJX-GHXPTAAOSA-N 439.643 7.694 0 40 IKAB c1ccc(Oc2ccc(-c3nc(-c4cccc5ccccc45)[nH]c3-c3ccccc3)cc2)cc1 8408146 JFSVRRDJCSOZIF-UHFFFAOYSA-N 438.530 8.356 0 40 IKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21 8740332 QQAASYYAXUSHPT-FZISZGEFSA-N 435.571 5.667 0 40 IKAB biogenic CN1C=CC(=C/C=C(/C=C/c2cc[n+](C)c3ccccc23)c2ccccc2)c2ccccc21 8927810 LNZJCQNLNBQIQS-UHFFFAOYSA-N 427.571 6.808 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 8940071 ZNJRLJLLPYQYKJ-HXUWFJFHSA-N 448.617 5.555 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)n[nH]1)Nc1cc(C(F)(F)F)ccc1Cl 9198135 DCSQLSLJHBCODZ-UHFFFAOYSA-N 447.269 5.528 0 40 IKAB COc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2-c2ccccc2)cc1 9308462 BKUBEHBNXAOPFC-UHFFFAOYSA-N 441.534 7.135 0 40 IKAB COc1cc(NC(C)=O)c([C@H](c2cccc(Br)c2)c2ccc(C)o2)cc1OC 9330607 ZNRDOAGWDOFPPY-QFIPXVFZSA-N 444.325 5.506 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccc(Br)cc1 9363757 JRZVZKMXGGVTOP-UHFFFAOYSA-N 434.167 6.193 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 9371668 CDWCIJCYXBABAZ-MBSDFSHPSA-N 433.479 5.002 0 40 IKAB COc1ccc(Nc2ccccc2NC(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 9379059 NPBZJXZBIXOHQG-UHFFFAOYSA-N 443.503 5.875 0 40 IKAB COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)cc1 9379876 RKMKDJZSEPWJJF-UHFFFAOYSA-N 443.547 5.674 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9540402 MAPWYVCDDIKJPQ-QFIPXVFZSA-N 432.951 5.098 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)NC(=O)c1ccccc1Cl 9587809 BTQRYSGJWCEFQE-UHFFFAOYSA-N 439.949 5.060 0 40 IKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(C)c4)c3c2cc1OC 9675951 PUTIHFFUZCIWCX-UHFFFAOYSA-N 427.479 6.014 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 9814562 UTORIQWNEMFFDY-IBGZPJMESA-N 447.391 5.783 0 40 IKAB COc1ccccc1Oc1cncnc1-c1ccc(OCc2cccc(Cl)c2)cc1O 11866297 PCVMDDBOYTWQNR-UHFFFAOYSA-N 434.879 5.883 0 40 IKAB biogenic Nc1c(C(=O)Nc2ccc(Cl)cc2Cl)c2ccccn2c1C(=O)c1cccs1 12342139 PEZXRKNRAWAYCY-UHFFFAOYSA-N 430.316 5.373 0 40 IKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1nc(-c2cccnc2)cs1 12553856 VJSZIDGDDJYTPK-UHFFFAOYSA-N 447.372 5.817 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)Nc1ccc2ccccc2c1 12639147 QDNGRIIVMYIZDU-SFHVURJKSA-N 438.527 5.841 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3-c3cccc(C)n3)co2)cc1 12741012 SJEKWYWGWAPVAA-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB Cc1c(C(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)oc2c(F)cccc12 12755488 PJIPJCYHBNVSAP-FQEVSTJZSA-N 430.483 5.176 0 40 IKAB COc1ccc(-c2ccc(SCC(=O)N3c4cc(C)ccc4C(C)=CC3(C)C)nn2)cc1 13086616 WVXBNYRXVOCTBP-UHFFFAOYSA-N 445.588 5.781 0 40 IKAB CCOc1ccc2nc(NC(=O)CCN3c4ccccc4Sc4ccccc43)sc2c1 13129546 YQGUZPHVKGZSFY-UHFFFAOYSA-N 447.585 6.327 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(c1c(C)[nH]c2ccccc12)c1c(C)[nH]c2ccccc12 13756042 ICJAMRCCHOGEAU-UHFFFAOYSA-N 449.381 7.762 0 40 IKAB CCCCCCc1c(C)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]c1=O 14608496 DMXWDBOBJXEMPZ-UHFFFAOYSA-N 444.623 5.113 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c3ccccc3n2)cc1 14793487 WSNWOVZYCQXZIN-UHFFFAOYSA-N 441.487 5.130 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 15230964 FTGWMAWRYWOGKN-CPANBIMZSA-N 430.498 6.514 0 40 IKAB Cc1sc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17103197 SDPDRCNKRAOSEB-DETCHVMESA-N 439.364 5.501 0 40 IKAB COc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 19081842 NPLWUADKUOXYNA-BKMJKUGQSA-N 449.639 5.085 0 40 IKAB Cc1ccc2oc(C(=O)N3CCC(c4nc5cnccn5c4NC(C)(C)C)CC3)cc2c1 19221285 IGRWLIMGMPEBMG-UHFFFAOYSA-N 431.540 5.014 0 40 IKAB O=C(C1CCCC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294106 XKXIURINZAOAFH-JOCHJYFZSA-N 431.515 5.275 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cc3ccccc3cc2OC)cc1 19631726 OQIVCVSBWONOJN-UHFFFAOYSA-N 440.499 5.267 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20152303 OFDJSLUOTOHNAM-UHFFFAOYSA-N 446.528 5.036 0 40 IKAB O=C(NCCCc1ccccc1Cl)c1ccc(OCCSc2ccccc2)cc1 20454582 LNJYXQYTWWEDBL-UHFFFAOYSA-N 425.981 5.874 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765688 AWIRWPJATVQAJT-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB COc1cc(CCC2CCN([C@@H](C)c3nnc(-c4cccs4)o3)CC2)cc(OC)c1 21396133 USHZTYSPFKWAME-INIZCTEOSA-N 427.570 5.221 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](C)Sc1ccc(NC(=S)Nc2ccccc2)cc1 22528919 WDAXBIFOKVOIOZ-SFHVURJKSA-N 449.645 6.486 0 40 IKAB O=C(Nc1ccccc1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 26780018 MOHCUNAQDUNQBS-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CCCCn1nc(C)c(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)c1Cl 30013244 KPVUPGOGJLJTPQ-UHFFFAOYSA-N 425.964 5.436 0 40 IKAB CCOc1ccccc1-c1noc(CSCC(=O)N[C@H](C)c2ccc3ccccc3c2)n1 31419729 QNNHPOMZTGRWSV-QGZVFWFLSA-N 447.560 5.399 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)cc1C 32116527 NGXCZZQMHPVVDU-UXBLZVDNSA-N 437.326 7.070 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)c2cc(C)nc3ccccc23)c1 32876202 CRXJQQUEPGBXBC-HXUWFJFHSA-N 437.543 5.905 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 33374924 XIAXKIZHPQHPEQ-SFHVURJKSA-N 449.916 5.051 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4c(OCC)cccc4[C@H]3C2)cc1 36352236 YJZAGXVKNCQZCB-BVAGGSTKSA-N 448.950 6.380 0 40 IKAB O=C(Cc1csc(SCC(=O)c2ccccc2)n1)Nc1nc(-c2ccco2)cs1 38488072 NGLJTYZTFJDQAT-UHFFFAOYSA-N 441.559 5.016 0 40 IKAB O=C(c1ccnc(Cl)c1)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 40113264 UJEYGKLVGNWBEG-UHFFFAOYSA-N 425.863 5.383 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)c(C)c1 57488662 LFFIHLDPGVZHSG-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(Cl)cc1)CO3 58088602 HOIVKTOGSZZCLC-UHFFFAOYSA-N 445.946 6.006 0 40 IKAB biogenic C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 58162221 OCEKVGDQLMPWIP-CYBMUJFWSA-N 436.911 5.416 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 72390268 ZRYYQWFOXLENCQ-GJZGRUSLSA-N 439.478 5.030 0 40 IKAB CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 101090329 ZVBJMQNTKVGGNM-QKDODKLFSA-N 448.522 5.453 0 40 IKAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc4ccccc34)C2=O)cc1 102707445 SDKLWRWAVXGWGH-GMQQYTKMSA-N 448.522 5.453 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(C)C 106735833 RUDQYEPCFSKTID-OCKHKDLRSA-N 435.904 5.511 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c(C)c1 107800290 MDVAXKOYGUKOAH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCN(CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)c1ccccc1 110500782 WYPUQCMXCOJEKG-UYRVNWCQSA-N 449.598 6.336 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@@]21C 118923208 CYWAQCFVYPSZRZ-BLHQOSEHSA-N 448.717 6.230 0 40 IKAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@]2(C)[C@@]1(Br)C(C)=O 118924381 WDDPCUNSIABLCD-XMVYKLQCSA-N 439.434 5.684 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1cc(C)c(Br)c(C)c1 218843889 KZWMZQJSJYGKDW-SFHVURJKSA-N 432.358 5.172 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NC(c1ccccc1)c1ccccc1 218903662 FHIPUWYVRHZFSA-UHFFFAOYSA-N 446.344 5.887 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 223753120 OSSPWNLPRXAZHD-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 223756158 AZHIIVNTCHMYNQ-JWQCQUIFSA-N 446.620 5.801 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223814922 VLDUYTIKZJWRKU-GOSISDBHSA-N 445.028 5.298 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224472698 NKRVVZWPVCGFPV-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1F 224906515 DEPNPCIAJSWEMK-DNQXCXABSA-N 446.526 5.636 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)c2ccccc2)c(I)c1 225027888 ZFNHBVOMOCYFGQ-UHFFFAOYSA-N 441.268 5.083 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225495219 FPHDMLNCFMGJEL-NZQKXSOJSA-N 426.626 5.199 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 227620737 FTGWMAWRYWOGKN-MPMSUWQASA-N 430.498 6.514 0 40 IKAB C[C@]1(NC(=O)c2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(F)c(F)c2)C1 257207508 BIBWFKTZLOVFKI-ARNLJNQMSA-N 441.905 6.400 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257207861 BJQLYJIGOHXIDI-HXUWFJFHSA-N 427.935 5.970 0 40 IKAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 257322226 WFCJOGZGQRLQQN-UGKGYDQZSA-N 431.983 5.522 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc(C)c1Br 408640892 KEKQPIUBEFFTAU-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(Cl)cc2)cc1 408676370 NJHYWWACNYSVRS-UHFFFAOYSA-N 432.907 5.158 0 40 IKAB O=C(NCC(c1ccccc1)c1ccccc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 408709557 UAKYQFHJZXLCRI-UHFFFAOYSA-N 446.856 5.246 0 40 IKAB Cc1cc(=O)oc2cc(OC(=O)c3sc4cc(Br)ccc4c3Cl)ccc12 408841332 FKJMNTNVEJGGMA-UHFFFAOYSA-N 449.709 5.951 0 40 IKAB CCCc1sc2nc(SCC(=O)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409120366 VORXVTXTXOLTLR-UHFFFAOYSA-N 434.586 5.683 0 40 IKAB Cc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c(C)c1 409367278 PRBHYKZHRGTMNP-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB Cc1cnn(-c2ccc(-c3nc(-c4ncoc4-c4cccc(C(F)(F)F)c4)no3)cc2)c1 554839994 PPHOOHLNGJICKC-UHFFFAOYSA-N 437.381 5.572 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1I 675387 UFDAZGCVJMWYHM-UHFFFAOYSA-N 429.257 5.644 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 1339127 LFWOHCWVXRJTLB-VWLOTQADSA-N 445.538 5.366 0 40 IKAB FC(F)(F)c1cccc(N2CCN(c3ncnc4c(-c5ccccc5)nsc34)CC2)c1 1370710 MPFMNLWATAWDEG-UHFFFAOYSA-N 441.482 5.099 0 40 IKAB CCCc1nc(SCC(=O)Nc2ccc(OC)cc2OC)c2c(C)c(C)sc2n1 1372179 DRAURQPACIXFME-UHFFFAOYSA-N 431.583 5.009 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3cccs3)ccc2c1=O 1447974 BBLOCJKFYXLEBL-UHFFFAOYSA-N 446.402 5.768 0 40 IKAB biogenic Cc1cnc(SCc2ccc(Cl)cc2Cl)nc1Nc1ccc(Cl)c(Cl)c1 1679412 VHVKWGXIKJJYCH-UHFFFAOYSA-N 445.202 7.435 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 2324501 RNSPAZRPADZOEM-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB CCOc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 2352461 XCHGMDJWLVAGLX-UHFFFAOYSA-N 447.918 6.001 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 2739133 SKKWJJZBIHDICJ-LLVKDONJSA-N 435.387 5.013 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 2774725 XYRNTBUYHINJOH-UHFFFAOYSA-N 439.939 5.455 0 40 IKAB O=C(Nc1ccccc1F)C(=Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccccc1F 3266754 WBRMAOUNHBVBMX-UHFFFAOYSA-N 446.375 5.644 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c(C)c1 4784428 BSZBQWQTIUGGNM-NDEPHWFRSA-N 427.544 5.236 0 40 IKAB O=C(NCCC12CC3CC(C1)CC(CCNC(=O)c1ccccc1)(C3)C2)c1ccccc1 5575859 MIHAGNXAUQHBML-UHFFFAOYSA-N 430.592 5.213 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2c(C)cccc2C)CC1=O 8587099 QTRZYTXEQSLQDS-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB CCn1ccnc1S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 8719939 SWBNLNUQTBFYFU-QGZVFWFLSA-N 439.890 6.047 0 40 IKAB CCn1c2ccccc2c2cc(/C=C/[C@@]34NC(=O)CCN3c3ccccc3C4(C)C)ccc21 8740136 FNSAGXWCIIDFMA-HPXJJZNJSA-N 435.571 5.842 0 40 IKAB biogenic Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccn4)c(C)c3cc2c1-c1ccccc1 8791430 BDAYOQXUBHAAHQ-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1F)c1ccccc1F 8810663 OVKLKAXUFUIICX-UHFFFAOYSA-N 438.455 5.171 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)cs2)cc1 8936576 RULQVHGZMHSBIL-UHFFFAOYSA-N 444.379 6.223 0 40 IKAB Brc1ccc(OCc2nc3ccccc3n2-c2cc(-c3ccccc3)n[nH]2)cc1 9090618 SANZEHXUBOHBIF-UHFFFAOYSA-N 445.320 5.757 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nc(Cc3ccccc3)c(C)[nH]2)cs1 9126686 QNQNOMIXDLBNDB-UHFFFAOYSA-N 448.617 5.547 0 40 IKAB Cc1c(NC(=O)C(c2ccccc2)c2ccccc2)cccc1-c1nc2cccnc2s1 9278865 CYJIUXNBQJXVFC-UHFFFAOYSA-N 435.552 6.437 0 40 IKAB CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 9292269 OLTVZUDKSIEUPR-IRLDBZIGSA-N 438.358 6.888 0 40 IKAB CCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OC 9409226 CPZXBSHEECQMQE-VWLOTQADSA-N 449.551 5.315 0 40 IKAB CCCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCc1ccc(OC)cc1 9421577 WLYGPCLIXYVLJX-UHFFFAOYSA-N 430.552 5.638 0 40 IKAB Cc1ccc(C(C)C)c(OCc2ccccc2C(=O)Nc2ccc(Cn3ccnc3)cc2)c1 9526057 AGZPYKPZKVXPRR-UHFFFAOYSA-N 439.559 6.195 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c(C)c1 9569254 XHQQZHMKVSCMHT-UHFFFAOYSA-N 440.590 5.067 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 9593904 OIUAERJXAQVYDV-UHFFFAOYSA-N 439.587 5.800 0 40 IKAB CCCCOc1ccc(C(=O)Oc2coc(CSc3nc(C)cs3)cc2=O)cc1 9739569 OHGNEVLZCDOMEW-UHFFFAOYSA-N 431.535 5.095 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1 9988992 TWCJVUKTBVYOSE-UHFFFAOYSA-N 426.611 5.475 0 40 IKAB COc1ccc2c(c1)CCc1cc(C(=O)N3CCC(C(=O)Nc4ccccc4)CC3)sc1-2 10444663 HBEJVHOCHRSSEZ-UHFFFAOYSA-N 446.572 5.013 0 40 IKAB Brc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 12311628 VMXUSCVBFPWUDZ-UHFFFAOYSA-N 449.398 7.257 0 40 IKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(Cc2ccco2)Cc2cccs2)s1 12553068 UYFINSPPCOBTLN-UHFFFAOYSA-N 426.538 5.684 0 40 IKAB O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1-c1cccc(Cl)c1 12565522 XRQPOUYUMSMOCI-UHFFFAOYSA-N 447.774 6.638 0 40 IKAB CCCCCOc1ccc(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)cc1 12621681 CHHWMAZKIIDEPP-UHFFFAOYSA-N 431.532 5.318 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12637643 JOGSNVQYZDKIAF-UHFFFAOYSA-N 427.533 5.617 0 40 IKAB COc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 12639143 UGYWDNSFNCOJBL-QHCPKHFHSA-N 431.492 5.123 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12849397 SBXHVRDJGIZGET-NHYWBVRUSA-N 442.850 5.216 0 40 IKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1cccc(Cl)c1 13115780 JCKBSBWDSVRXSO-CYBMUJFWSA-N 448.375 5.862 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 13576658 OQBMEFXHPBRYEH-NRFANRHFSA-N 431.517 5.063 0 40 IKAB COc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c(OC)c1C 13582139 MFPKMPAQLOMMTE-UHFFFAOYSA-N 439.342 7.043 0 40 IKAB CCC[C@H](C)NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584279 GCUDOYMQCPEVHA-KRWDZBQOSA-N 444.622 5.094 0 40 IKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1Cl 13635733 GZQLZDFLSFZIMA-UHFFFAOYSA-N 441.922 5.775 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1CCc1ccccc1 13688322 RAPIDRYCWYKJQB-UHFFFAOYSA-N 427.972 5.928 0 40 IKAB CSc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 13893739 RGDVAXLIEUCWQH-DEOSSOPVSA-N 434.586 5.435 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 13954893 AQUWUEBRRFIJSY-IBGZPJMESA-N 428.532 6.643 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 13960472 JJVXIMQUFLOAGF-UHFFFAOYSA-N 441.789 7.842 0 40 IKAB CCc1ccc(CC)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c1 14170399 JEQHHMITZXHUDQ-UHFFFAOYSA-N 432.549 5.081 0 40 IKAB CCOc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c([N+](=O)[O-])c1 15906823 MZASJVADRYLPLG-UHFFFAOYSA-N 434.477 5.160 0 40 IKAB O=C(O)c1cc(Cl)ccc1NC(=S)NC(=O)c1sc2ccccc2c1Cl 16525291 QIWZQZDKTPKTHW-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc2sc3ccccc3n12 16763469 LAWHQZXGGQUKOG-LLVKDONJSA-N 432.958 5.034 0 40 IKAB Cc1ccc(NCc2nn(CC(=O)c3ccc(Cl)cc3)c(=S)n2-c2ccccc2)cc1 16769166 VOEKEXZNTHEXJU-UHFFFAOYSA-N 448.979 5.860 0 40 IKAB CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccc(C)cc3)nccn2n1 16842371 QRIGAPAPCMSJFG-UHFFFAOYSA-N 446.576 5.614 0 40 IKAB CC(C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 17098348 NZLRRXNEOLKHPH-UHFFFAOYSA-N 433.360 6.504 0 40 IKAB Clc1ccc(Nc2nc(NCc3cccnc3)nc3c2cnn3-c2ccccc2)cc1 17200437 ILDMQJDFJRVOQJ-UHFFFAOYSA-N 427.899 5.220 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3sc(C)nc3C)cc2N1 19520612 VMKOICLHAWCAAJ-FVQBIDKESA-N 441.523 5.021 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)nc2)c1 19690388 HVDXRUVVLUGBOK-QFIPXVFZSA-N 439.559 5.491 0 40 IKAB CCCCc1ccc(NC(=O)C2=C(c3ccccc3)c3ccccc3N(C)S2(=O)=O)cc1 20063456 NYQNOOUOKOMZSU-UHFFFAOYSA-N 446.572 5.207 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20140001 NBIKSACHHFELHL-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB C[C@@H]1CCCCN1c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20357903 MARBSGDQHNVKPY-OAHLLOKOSA-N 437.613 5.070 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765685 HOHVMGVLUMGFMJ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 21123658 ZGOPZGTUDZPZMC-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(Cl)cc2)CC1 21576592 FZLGMTAKGZJDJC-IZZDOVSWSA-N 446.378 5.094 0 40 IKAB O=C(Nc1nc(-c2ccccc2)cs1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24245932 AFDZEVSXGFLQKC-UHFFFAOYSA-N 432.402 5.406 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)N2CCCCC2)cc1 27667542 TXXMLJZSLPPLCE-DEOSSOPVSA-N 446.547 5.115 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nc(-c2cccs2)c2ccccc2c1=O 29465633 XFGMGUVDHYIOJO-UHFFFAOYSA-N 445.588 6.011 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Oc2ccccc2)cc1 30854908 WPFVIRGUJFPYLC-UHFFFAOYSA-N 427.831 5.952 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127599 INUIEGXRAOAZBN-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB CCc1ccc(-c2noc(-c3cn(C)c4cc(N5CCC(C)CC5)c(F)cc4c3=O)n2)cc1 33256015 WZDQNMWNXPJYMW-UHFFFAOYSA-N 446.526 5.193 0 40 IKAB Fc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 33617667 AMXQIUQKDOTXAA-UHFFFAOYSA-N 425.916 5.898 0 40 IKAB CN1c2ccccc2C(=C(OP(=O)(O)O)Sc2ccc(Cl)cc2)c2ccccc21 33973430 UHOOSSLDOLLULJ-UHFFFAOYSA-N 445.864 6.040 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(-c4ccc(Cl)cc4)o3)C2=O)cc1 35088412 IUCTWOBKQBZJFY-UDWIEESQSA-N 425.893 5.845 0 40 IKAB Cc1nc2cc(F)ccc2n1C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 35314282 AUAZGAPAFDPFAS-UHFFFAOYSA-N 428.511 6.020 0 40 IKAB O=C(Cc1csc(Cc2ccccn2)n1)NCCC(c1ccccc1)c1ccccc1 40128740 HJCRFHNWWHMHPV-UHFFFAOYSA-N 427.573 5.010 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 44847634 MRDHTAFYQBDSDS-OAQYLSRUSA-N 442.606 5.090 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 44855177 QBBDWPFHEWIHBM-SIKLNZKXSA-N 426.988 5.279 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=S)NC(=O)c3ccccc3)cccc2c1Cl 59294228 FHUXJMAQIFXGEJ-UHFFFAOYSA-N 445.997 5.210 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4ccc(C)c(C)c4)no3)c3ccccc3c2=O)c1 64950159 SCKFSAWDSCHJPE-UHFFFAOYSA-N 440.528 5.441 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccc1F 67259914 UQAYKOCRKIBACG-UHFFFAOYSA-N 434.920 5.730 0 40 IKAB CC(C)c1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261450 LREFXXCOSGSGQY-UHFFFAOYSA-N 427.939 6.333 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 70664507 KEOLCBLQBIWDBI-MQESPVGQSA-N 446.672 5.155 0 40 IKAB biogenic CC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccs1 95945265 AKOORTOSILBTON-HXUWFJFHSA-N 447.947 5.608 0 40 IKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 97105024 SNSLVNWGPKLIME-HSZRJFAPSA-N 440.503 5.229 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 100739119 LWBPNWDVIMCMMI-BAGYTPMASA-N 436.600 5.011 0 40 IKAB COc1ccc(OC)c([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102719288 URSKXRRSLLNFJN-NPMXOYFQSA-N 432.476 5.314 0 40 IKAB O=C(CN1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccco1)Nc1ccccc1F 104232253 RATXTWMKLCBDGX-RUZDIDTESA-N 431.467 5.687 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106717056 JUYYMLZSWIGZBR-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB CC[Si](CC)(CC)c1c(Br)cc(Br)cc1Br 195885811 OOBOWEBFKRTTMT-UHFFFAOYSA-N 429.066 5.690 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC(C)C 205665841 UGBPPJBIETZCAD-RGVLZGJSSA-N 449.931 5.902 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 222918449 NAOBYUORTZZNMT-XMMPIXPASA-N 436.596 5.843 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223841936 WKPZLSIGPOGCAX-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1C 224149291 NQWOBIYAOWZDEB-XMMPIXPASA-N 436.577 5.010 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224182150 TWUNCAVXBZUGRB-XZOQPEGZSA-N 441.512 5.217 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1C 224409971 OOKMGEFIFFQYRR-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1cccc(Cl)c1 224490354 PXRFVOFVEWJGPB-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3cccc4ccccc34)cc2)cc1 224567905 BLGYMSZLCKFANF-UHFFFAOYSA-N 444.556 5.520 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s2)cc1 224982972 LYTDUBQJBHNPML-UHFFFAOYSA-N 431.586 5.987 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225182911 NEJLQGUWSIWPHO-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@@H]3CCCc4ccccc43)c2)cc1 225461453 KWDWATCHACZZQC-RUZDIDTESA-N 442.628 6.579 0 40 IKAB COCCC1(NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)CCCC1 225865864 LXHDVKKFWHPMRF-UHFFFAOYSA-N 438.637 5.851 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)cc12 257249676 JJHQHZBMDPPAEX-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1OCc1ccc(C)cc1 408553587 OKNUVKIGAQMMBP-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccccc2C(C)C)c2ccccc2)cc1 408976238 ABRLEASONOJYDR-XMMPIXPASA-N 436.577 5.167 0 40 IKAB Cc1cccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c1C 409112047 JVDPMFCUGIOUDE-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB CSc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 409176644 UDVMVCQXNMKXBZ-RUZDIDTESA-N 448.613 5.478 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\S(=O)(=O)c1ccc(Cl)cc1 409206377 IXCWCQDMYZZPKY-GYHWCHFESA-N 440.977 5.364 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCC(=O)Nc2ccccc2)c(Cl)c1 409270542 QRZITUDJJLTQKX-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCC(C)(C)c1ccc(OCc2nc(-c3cc(C)ccc3OC(C)C)ccc2C(=O)O)cc1 585265623 VIIJGABALYRZMZ-UHFFFAOYSA-N 447.575 6.809 0 40 IKAB Cc1ccc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)cc1 643582768 NQVLHUBBUMTFKG-NOZRDPDXSA-N 434.580 5.083 0 40 IKAB Cc1cc(C(F)(F)F)ncc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 1615055387 MGRKPOVGSRVXNB-UHFFFAOYSA-N 447.526 6.540 0 40 IKAB O=C(Nc1nc([C@H]2CCCN2Cc2cncs2)cs1)c1ccc(C(F)(F)F)cc1 2037905349 LLQXAKJZRUPWNN-MRXNPFEDSA-N 438.500 5.208 0 40 IKAB Cc1cc(NC(=O)c2sc3nc(-c4cccs4)ccc3c2N)ccc1Br 660275 OPKHQMMWDTYKQN-UHFFFAOYSA-N 444.379 5.930 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@@H]1C 797192 QYWZBVFNLPJBNN-FNZWTVRRSA-N 442.559 6.009 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901530 XDFGGZAVZNCZCQ-UHFFFAOYSA-N 443.903 5.917 0 40 IKAB CCc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O 950217 JNVZMBKCCXXITH-UHFFFAOYSA-N 433.435 5.304 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 1003150 MVXBIKPLWCGISL-UHFFFAOYSA-N 448.325 5.367 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1382722 XVKLQZWADYRMOM-JOCHJYFZSA-N 440.902 5.519 0 40 IKAB CCn1c2ccccc2n2c(C(=S)Nc3ccccc3)c(-c3ccc(Cl)cc3)nc12 1504790 ADPRWSPFDRCHGK-UHFFFAOYSA-N 430.964 6.417 0 40 IKAB Cc1ccccc1OCCCCSc1nc2sc(C)c(-c3ccccc3)c2c(=O)[nH]1 1792219 KKUPXTJCQSYBJN-UHFFFAOYSA-N 436.602 6.220 0 40 IKAB Cc1c(-c2ccccc2)n(N(c2ccccc2)c2ccccc2)c2nc3ccccc3nc12 2077702 MSSFNGCCNILCAD-UHFFFAOYSA-N 426.523 7.161 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)CCC(=O)OCC(=O)c3cccs3)cc2)cc1C 2079651 WJORSSVNROHJBX-UHFFFAOYSA-N 437.517 5.302 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2cnccn2)sc(C)c1-c1ccc(CC(C)C)cc1 2091374 LQUQTPHIMQNGOG-UHFFFAOYSA-N 437.565 5.531 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 2256250 VRKMJBZOEIIDHI-BJKOFHAPSA-N 426.907 5.453 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cccc(Br)c1 2329388 SCUVIFUDIXSFGV-UHFFFAOYSA-N 444.350 5.915 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)cc1 2443453 LRVGPLNMHKFVIU-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB CC[C@H](C)NC(=O)COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2633554 RVGRJZUUCLIJAT-AWEZNQCLSA-N 431.941 5.450 0 40 IKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](CC)C3)cc1 2752806 BUYVBINZHHUZIV-MRXNPFEDSA-N 429.582 5.871 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)cc(C)c4)c3N2)cc1 3012735 PIIRWWPKKSDYLA-UXHICEINSA-N 428.458 5.721 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)C3CCC(C(C)(C)C)CC3)ccc21 3235108 WENDMLAFJMCUIN-UHFFFAOYSA-N 434.580 6.149 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc(-n2c(Cc3ccccc3)nc3ccccc32)n1 4787996 UKQORTAGOLYKCO-UHFFFAOYSA-N 436.462 6.154 0 40 IKAB O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)C12CC3CC(CC(C3)C1)C2 5274530 TTXNASBWGNEDDX-UHFFFAOYSA-N 426.604 5.955 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)cc3)c2C(=O)OC)C1 5454250 VEGBLIRVJZKGST-BJRSVTDJSA-N 425.594 6.036 0 40 IKAB Clc1ccc(CSc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc1 6474881 JFIAYTKURSPOMN-UHFFFAOYSA-N 441.387 6.479 0 40 IKAB O=C([C@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1)N1CCCCC1 8766648 ARDNVLNUUVFXKI-IBGZPJMESA-N 449.982 5.077 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8828196 WSEWJMGWRSOPJD-INIZCTEOSA-N 449.913 5.406 0 40 IKAB Cc1cccc(Cn2c([C@@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)nc3ccccc32)c1 8828277 UZEIDXGFGJBQJE-LJQANCHMSA-N 449.476 5.932 0 40 IKAB O=S(=O)(c1ccc(F)cc1)n1ccc(-c2ccccc2OCc2ccc(Cl)cc2)n1 8888401 XQLKFEKRZJIMJP-UHFFFAOYSA-N 442.899 5.159 0 40 IKAB COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ncccc4o3)cc2)cc1Cl 9192654 REBYASJLPSUXFA-UHFFFAOYSA-N 428.275 5.135 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@@H](c1ccccc1)c1cccs1 9256061 ILGXDOPEQXLNCF-XXBNENTESA-N 433.602 5.401 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288299 VGTWAKNGFSAGPT-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 9344853 DGWRVNFVNJLNNV-QFIPXVFZSA-N 431.875 5.200 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3coc4ccc5ccccc5c34)n2)cc1 9491411 RHDPJTFVPZVESG-UHFFFAOYSA-N 441.512 5.849 0 40 IKAB Cc1cc(C)c(CNc2nc(CSc3ccccc3)nc3sc(C)c(C)c23)c(=O)[nH]1 9499907 FTAMFXYNRBOVOG-UHFFFAOYSA-N 436.606 5.518 0 40 IKAB Cn1c(NC(=O)c2ccccc2Cl)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9510388 RNLGITQLVVYBCY-UHFFFAOYSA-N 438.914 6.264 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)n(-c2ccc(NC(=O)CCc3ccccc3)cc2)c1C 9892515 DQOMHFVAMSJGJK-UHFFFAOYSA-N 429.951 6.381 0 40 IKAB CC(C)c1ccc(CC(=O)N(Cc2ccco2)c2nc3c(F)cc(F)cc3s2)cc1 10097104 HIXCUCQLCQJYSJ-UHFFFAOYSA-N 426.488 6.067 0 40 IKAB C[C@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)C1CC1 10153192 CGPQVZXQDGBFMK-DFBJGRDBSA-N 446.572 5.158 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1cccc(Oc2ccccc2)c1 11617249 YXMFWQRURCYSQA-UHFFFAOYSA-N 441.339 7.162 0 40 IKAB CCn1c2ccccc2c2cc([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)ccc21 12180936 SGBUYXOKZMIPTR-PQHLKRTFSA-N 443.550 7.057 0 40 IKAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCCO2)Nc1ccccc1Cc1ccccc1 12582108 SWVYXEXCMNYXQZ-VWLOTQADSA-N 442.559 5.214 0 40 IKAB O=C(COc1ccc2ccccc2c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 12794890 VHBYWKYRICAXST-UHFFFAOYSA-N 433.895 5.113 0 40 IKAB COc1ccc(-c2nc(-n3nc(C)cc3C)sc2Sc2ccc(Cl)cc2)cc1 12954043 ILUALLPCCZQLMM-UHFFFAOYSA-N 427.982 6.426 0 40 IKAB O=S(=O)(N[C@H]1Cc2ccccc2[C@H]1Sc1nc2ccccc2s1)c1ccccc1 13133818 VOKYGOZSFFERIH-PZJWPPBQSA-N 438.599 5.033 0 40 IKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1CCc1ccccc1 13684939 GTYBGHHUWZCHAB-UHFFFAOYSA-N 426.560 5.787 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 14008838 UHKSYCMNJWPBJL-KRWDZBQOSA-N 428.488 5.440 0 40 IKAB CCc1nnc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)s1 14182770 ILRKACWDUDOEQG-UHFFFAOYSA-N 436.540 6.235 0 40 IKAB O=C(Nc1ccccc1I)c1sc2cc(Cl)ccc2c1Cl 14429697 HHNCLMIJCLJXKZ-UHFFFAOYSA-N 448.112 6.065 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4cc(OC)ccc4OC)c(C)c3c2)cc1 15729516 WFNOIFYSYVTMKD-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 16736154 REYAFHNMGJQFRP-VWLOTQADSA-N 439.511 5.288 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4cc(C)cc(C)c4)nc23)cc1 16846693 CMIQERUINLYLPV-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4c(Cl)cccc4s3)o2)cc1Cl 17096343 INIWFIQRMNBIOI-CSKARUKUSA-N 429.328 6.823 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 17096606 OHUYXUCQGLMMJF-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)c1 17097569 PIMMESSBCDVVFI-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)c3cccc(C)c3)c2-c2nc3ccccc3s2)C1 17122676 IMSXQYGNQWLZJW-UHFFFAOYSA-N 447.585 5.490 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cn(Cc2ccccc2)nc1-c1cccnc1 17298074 GPSQUXBUEYJJCD-UHFFFAOYSA-N 437.330 5.230 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H](C1=O)C1(C)c3ccccc3C2(C)c2ccccc21 17783830 XNNGEGFUCHDQSH-DDBVPJQNSA-N 427.931 5.393 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Oc2ccccc2)c1 18832844 VXDVBRDSBYALPR-UHFFFAOYSA-N 447.922 6.235 0 40 IKAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Sc1ccccc1 19937696 AWFZVXWXPKOAMU-UHFFFAOYSA-N 447.947 5.423 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 20035084 SKZKPUDGVGVABZ-NRFANRHFSA-N 428.941 5.022 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 20455791 DHTIXOKNZOPCNA-HSZRJFAPSA-N 428.576 5.005 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1Cl 20610832 NNVJAWPLJBIVQX-AWNIVKPZSA-N 446.938 5.858 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c(OC)c1 21595992 KBBHEOYPWIMMKH-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB C[C@@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 22074154 FTYLWPGVPQOCMZ-MRXNPFEDSA-N 430.773 6.532 0 40 IKAB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648110 WMCOBNAYLPJQBY-YVLHZVERSA-N 449.746 6.798 0 40 IKAB CCCOc1ccc(NC(=O)Nc2ccc(OCCC)c(OCCC)c2)cc1OCCC 40050761 QFFMXOGBAGKBGV-UHFFFAOYSA-N 444.572 6.486 0 40 IKAB CC(=O)N(c1nn(CN(Cc2ccc(F)cc2)C2CCCCC2)c(=S)s1)C1CC1 40071351 UNWXHNZYKMYBDX-UHFFFAOYSA-N 434.606 5.121 0 40 IKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385062 PKEHHODPGYWPMR-UHFFFAOYSA-N 440.334 5.782 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3C)cc2C)cc1 44883334 PTFLPJOSVGMDPT-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C 44901257 CFMBJBGLOBTMLK-MRXNPFEDSA-N 445.753 5.762 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1cccc(Cl)c1)C3 61997710 UUHMXVAMUXJQIH-UHFFFAOYSA-N 431.919 5.698 0 40 IKAB biogenic CCn1nc(C)c2nc(SCc3ccccc3Cl)n(CCc3ccccc3)c(=O)c21 64817102 DFRLDOAGROXOBH-UHFFFAOYSA-N 438.984 5.110 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1O 106701853 FDOVTSOXYBUXJW-YVLHZVERSA-N 448.338 5.098 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 106704320 DJOWURBOXCKOQM-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 222414068 AIFYXDNNZJYZRG-DEOSSOPVSA-N 440.653 5.177 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222624623 QQVLTJAKAXYJBP-JTSKRJEESA-N 449.422 5.301 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1 223009843 JHASVLFDJZPCSS-LJQANCHMSA-N 448.426 5.881 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 223080630 OJYJQNNMDKFDCU-OALUTQOASA-N 445.003 5.174 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223222933 LTOHRVJISPBNHG-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 223402486 GXHTVFFDGYHFFI-NRFANRHFSA-N 445.003 5.058 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223835105 BTOQBGPEXYQKSX-IBGZPJMESA-N 429.004 5.340 0 40 IKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)nc1 223915887 XZWBPSVMNGRPJB-UHFFFAOYSA-N 426.973 5.472 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 223956496 ZACCSXAMYYHPRG-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224210502 ASNFODJQQMATMS-UHFFFAOYSA-N 437.967 6.831 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224246172 FUWIRJBIEFEDPU-IBGZPJMESA-N 447.044 5.320 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1CSc1ccccc1 224328577 UWDUOMBRDHTXRB-UHFFFAOYSA-N 431.601 6.082 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 224437129 AKCQCKVUSNYDSW-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1cccc2ccccc12 224630081 ZQLLPQVQFVBKKP-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)ccc1F 224905666 HHHWDTZOQYTANR-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225136383 HOAMPGUTBILGLW-QZTJIDSGSA-N 433.017 5.154 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccc(F)cc3)cs2)cc1 225251397 QINXHHNESHAUTC-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225362434 FJOKXPDGRUFHBE-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1Cl 225568407 DMVJWGBMQHZOOK-UHFFFAOYSA-N 445.987 5.529 0 40 IKAB C[C@@H](O)c1ccc(C2(CNC(=O)CCc3ccc(C(F)(F)F)cc3)CCCC2)s1 225683089 ABYINJDOSOZLER-OAHLLOKOSA-N 425.516 5.381 0 40 IKAB Cc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)c(C)c3)nc2)cc1 257253582 JZLXLUUODXVSJI-MHZLTWQESA-N 430.567 6.115 0 40 IKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)C(C)(C)Oc4cccc(C)c4)C3)nc2)c1 257266144 MBTPFJZSXMXPOQ-RUZDIDTESA-N 442.603 5.853 0 40 IKAB COc1ccc(CCNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408577082 REOHHHKDJAEBPK-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CCCCCC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 408949117 DTDUYOHGDGBECP-GTNSWQLSSA-N 441.277 5.180 0 40 IKAB COc1ccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 408976267 FBSPPUZELMHIDX-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409118826 OMPXTMAUKWXLFK-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB COc1cccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)c1 409177277 GQFFXFMSMKMPNI-MUUNZHRXSA-N 434.539 6.369 0 40 IKAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)cc2)n1C 409205613 RPBTUSHTEJXJOL-RFBIWTDZSA-N 448.975 6.132 0 40 IKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1c1cccc(Cl)c1 409210301 JGEGHWLJCKRJPD-ACAGNQJTSA-N 445.121 5.702 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1COc1ccc2c(c1)OC[C@H]2CC(=O)O 653717574 YBBZJHLFUPKHJD-CQSZACIVSA-N 449.450 5.667 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 682576 IZPLKDHUPUFCLV-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 1223831 MOAOWFQLFODSOB-UHFFFAOYSA-N 441.600 5.853 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3)cc2c1 1327677 KNXTVPNVPNRJBL-UHFFFAOYSA-N 441.531 5.470 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C 1378364 YOWFLTNYHLIWKO-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB C[C@H](Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)C(=O)OCc1ccccc1 1904881 HWOUMCYAHJFRHM-INIZCTEOSA-N 434.875 5.624 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2088308 JGJKUOVGDRTTIY-UHFFFAOYSA-N 435.354 7.584 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)CCCOc1ccc(Cl)cc1Cl 2137184 XMIZVTAXLCSDOX-UHFFFAOYSA-N 427.353 5.064 0 40 IKAB COc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 2247360 FDNCQVNUFFBWQC-DNQXCXABSA-N 442.906 5.153 0 40 IKAB CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)C[C@H](C(C)(C)C)CC3 2254486 FBAQELBGUFAJHW-CYBMUJFWSA-N 426.651 6.987 0 40 IKAB Cc1cccc2c1N(C(=O)c1cccc3ccccc13)C(C)(C)c1ssc(=S)c1-2 2314993 KFYAPBXFZMSWDX-UHFFFAOYSA-N 433.623 7.563 0 40 IKAB O=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 2324193 BMAPHQDHJZXUPH-UHFFFAOYSA-N 431.539 6.663 0 40 IKAB COc1cccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)cc3)nc(C)c2=O)c1 2340489 XJPIJILCJYYDEW-UHFFFAOYSA-N 431.536 5.044 0 40 IKAB Cc1nc2ccc(NC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)cc2s1 2650829 BNHZCMBCBDHSQD-UHFFFAOYSA-N 429.932 6.726 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)cc1 2761104 OQJLTIBDWXCTOR-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB Cc1ccc(Sc2c(COC(=O)c3cccc(Cl)c3)c(-c3ccccc3)nn2C)cc1 3135109 KCPFLBVAANWIDX-UHFFFAOYSA-N 448.975 6.557 0 40 IKAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 3871492 GVJHHUAWPYXKBD-IHMCZWCLSA-N 430.717 8.840 0 40 IKAB biogenic,in-man CC(C)(C)c1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O 5069651 VMIXFKHIBKZRNB-SANMLTNESA-N 426.604 7.343 0 40 IKAB Cn1c(=O)c(Nc2ccccc2)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2 6444390 LKNDHUIANGKOTH-UHFFFAOYSA-N 431.289 5.256 0 40 IKAB CC(=O)Oc1cc(C)cc2c1[C@@]1(C)CC[C@H]3[C@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1C2 8615870 NJDMULFSFVYYPR-MVVSZOHLSA-N 438.608 5.908 0 40 IKAB Cc1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1cccc(Cl)c1 8717905 BVROYMUVXLBHTR-UHFFFAOYSA-N 425.966 6.077 0 40 IKAB COc1cccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)c1 8751962 PSFDOXLVUCWWBJ-UHFFFAOYSA-N 433.504 5.013 0 40 IKAB CCc1ccc(CN(Cc2ccco2)C(=O)COc2ccc(Br)cc2)cc1 8915261 UKRBGDHJNDLVGT-UHFFFAOYSA-N 428.326 5.212 0 40 IKAB CSc1nc(N2CCCC[C@H]2C)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9013597 IFUPROQWCSHHBO-CYBMUJFWSA-N 436.606 6.089 0 40 IKAB Cc1ccc(N2COc3ccc4c(-c5cc6ccccc6oc5=O)cc(=O)oc4c3C2)cc1 9129509 FNJLYXRGWFDQAD-UHFFFAOYSA-N 437.451 5.231 0 40 IKAB Clc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9290907 MOVQQQYSHFCABJ-CTNGQTDRSA-N 438.756 6.599 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 9307155 FGKGQCQUQUZJFO-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC)cc2)cc1 9414031 UUYMXZLPHGPKJN-UHFFFAOYSA-N 444.487 5.735 0 40 IKAB Cc1ccc(NC(=O)C(=Cc2ccc(C(=O)O)cc2)C(=O)Nc2ccc(C)cc2C)c(C)c1 9491877 QZOHMGLHJDZRBE-UHFFFAOYSA-N 442.515 5.279 0 40 IKAB COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 9679128 FHNLYKWOWYHPGB-DEOSSOPVSA-N 429.907 5.797 0 40 IKAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 10218281 QCIQFUAAZFRTHG-UHFFFAOYSA-N 436.558 5.156 0 40 IKAB O=C1CSc2ccc(C(=O)N3CCC(c4nc5cc(Cl)ccc5s4)CC3)cc2N1 10235432 SHDRMHNSKDJRQL-UHFFFAOYSA-N 443.981 5.014 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)sc1C 11614257 JEQKCRXMZKGMLZ-SFHVURJKSA-N 440.883 5.409 0 40 IKAB CC[C@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 11852410 QSBGIMSQTOHOFP-SFHVURJKSA-N 429.567 5.040 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)c(C)c1 11916319 HEZMFZCRTQXSPR-UHFFFAOYSA-N 446.345 5.540 0 40 IKAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NCCc2ccccc2)CCOCC1 12231499 RVNDDLJPLLWIRN-UHFFFAOYSA-N 447.550 5.200 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12506408 XFEUIUMYUSBECV-UHFFFAOYSA-N 448.617 5.039 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccnc2)c(C)c1 12565933 SYNXNAYKIRTKEW-UHFFFAOYSA-N 428.605 6.536 0 40 IKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1Cl 12569371 GLFJZZLVDNZKNI-SNVBAGLBSA-N 442.418 6.089 0 40 IKAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)[C@@H](C)c2nc3ccccc3s2)c1 12811315 HQRGVXJEBXMEEN-GAJHUEQPSA-N 431.561 5.678 0 40 IKAB CCOC(=O)c1c(C)nc(-c2ccco2)nc1SCc1ncc(-c2ccc(F)cc2)o1 12890592 KJZGLOLXAGQJAP-UHFFFAOYSA-N 439.468 5.308 0 40 IKAB Cc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@H](c3ccccc3F)C2)cc1 13027660 JJAVNCYWRNYGMF-QFIPXVFZSA-N 437.312 5.888 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CCCC1 13040839 VMSMVHVWLIALRL-UHFFFAOYSA-N 438.531 5.400 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1C 13497801 HKLCRRUOWDVNDV-RUZDIDTESA-N 447.604 5.136 0 40 IKAB Cc1sc2nc(CSc3nnc(-c4ccco4)n3C3CCCCC3)[nH]c(=O)c2c1C 14023048 CCVQKRUQXKYHDX-UHFFFAOYSA-N 441.582 5.250 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 14269540 ACAIKIKNOWETSW-OWFXSXJRSA-N 441.424 5.211 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 14413226 BKYKWJSFSPETBM-VWLOTQADSA-N 434.561 5.649 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1OC 16176387 MIYROIRQNGWDAS-JOCHJYFZSA-N 444.531 5.146 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3cc(Cl)cc(Cl)c3)n2)c1 17094291 WBICHOAEZOEZAJ-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB Cc1nc2c(-c3ccccc3)c(C)nn2cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 17098859 YLSBIXKAAYVDLY-UHFFFAOYSA-N 434.499 6.058 0 40 IKAB COc1cc(CNc2ccc(N3CCOCC3)cc2)ccc1OCc1ccc(Cl)cc1 19119309 LMKIFKCVYBXZIF-UHFFFAOYSA-N 438.955 5.376 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1F 19635043 FZZAGSVOKZXJFI-UHFFFAOYSA-N 441.940 5.883 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)cc2Cl)cc1 20048688 WEUHLOMETCPAGC-INIZCTEOSA-N 440.952 5.041 0 40 IKAB Cc1cccc(Oc2ccccc2N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 24829067 IRAFOLKUMMJQPR-HXUWFJFHSA-N 431.536 5.063 0 40 IKAB CCOc1ccc(Nc2cc(Nc3ccc(C)c(Cl)c3)cc(N3CCOCC3)c2)cc1 27546474 IRGHADVXGQAPPH-UHFFFAOYSA-N 437.971 6.371 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3Cl)sc2c1 32118978 LVTCIYDESSVSGZ-UHFFFAOYSA-N 438.405 6.073 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccc(Cl)cc1 32692504 YGAIVHZFWBIBKT-UHFFFAOYSA-N 431.948 6.195 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3C)ccc2Cl)c1 33649270 GJGALCYHQANREG-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)c1 33788698 JQIZQWXXDBJLET-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 34897062 OFGBNOZNIBVLME-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccccc1 35145161 SQJCACWVWRLSHQ-UHFFFAOYSA-N 434.904 5.240 0 40 IKAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)cc2)C2CC3CC(C2)CC1C3 35170787 HVUDLLWIIBBYAX-UHFFFAOYSA-N 443.595 5.305 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 36397606 SWVBYUFPIITSDP-INIZCTEOSA-N 429.495 5.288 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)c1cccs1 40033651 DYLYDZLEIUOJMP-RDPSFJRHSA-N 438.618 5.162 0 40 IKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cccc(OCc2ccccc2)c1 57333526 PUJQTLOJKJZBAF-UHFFFAOYSA-N 435.483 5.399 0 40 IKAB CCOc1ccc2cc(CNc3ccc(N4CCc5ccccc5C4)cc3)c(=O)[nH]c2c1 57718169 HSAAVOWGJPDASB-UHFFFAOYSA-N 425.532 5.102 0 40 IKAB CC(=O)c1cc2c(N)c(C(=O)N(C)C(c3ccccc3)c3ccccc3)sc2nc1C 57963367 FEWIPPAXISVVJN-UHFFFAOYSA-N 429.545 5.251 0 40 IKAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccnn1[C@H]1CCCc2ccccc21 58109441 RGUAOIHGVHZBCE-QFIPXVFZSA-N 428.561 5.037 0 40 IKAB CCOc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1 64949828 JAPDHJGZGKGHKO-UHFFFAOYSA-N 444.878 5.155 0 40 IKAB O[C@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1C(F)(F)F 65592908 CUCHOPPETTVJQM-GFCCVEGCSA-N 441.784 5.246 0 40 IKAB Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2ccc(F)cc2)n1 67257210 WELAJAOQWXOCKQ-UHFFFAOYSA-N 432.318 5.084 0 40 IKAB COc1ccccc1-n1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 67259541 UTDYNEFINUGUTH-UHFFFAOYSA-N 430.573 5.984 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)c2ccccc2)n1 72376799 ORYZZPHTOLIQHQ-LJQANCHMSA-N 426.442 5.112 0 40 IKAB C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@@H](c1ccccc1)CC(=O)O3 72404466 OUITXBPQJQRTKX-XJMZQZRBSA-N 448.515 5.315 0 40 IKAB COc1ccc(NC(=O)N2CCN([C@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 96183755 HHRNUOQKUZVZIP-AREMUKBSSA-N 429.564 5.251 0 40 IKAB COC(=O)c1ccc(Cn2c(-c3ccccc3Cl)cs/c2=N/c2ccccc2)cc1 100992761 RWJQKIXAANNANE-SHHOIMCASA-N 434.948 5.937 0 40 IKAB COc1cc([C@H]2Nc3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)ccc1O 102743962 ARMOYIVKYFSWTF-ZUOKHONESA-N 438.871 5.066 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915129 OSYGNEOCCSKLON-POFSMYHLSA-N 438.652 6.325 0 40 IKAB CC(=O)O[C@H]1C=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118930715 XKOUVMYXXFCCBC-SPTWOZHASA-N 428.701 7.815 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1ccccc1C1OCCO1 169811560 JPWMKBGFAPHRLW-UHFFFAOYSA-N 439.228 5.788 0 40 IKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)cc1C 218907774 HAYTVVISYLVTOH-FQEVSTJZSA-N 426.354 5.865 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1 222540684 CYPTVEDSIPKTOH-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222975388 RTLMYEUUKVRYJL-LEWJYISDSA-N 444.526 5.664 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 223225877 GKZIVCDJRMJTJH-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 223286323 UEUUCXYEVOBXEC-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223343518 PWVQRMBHEBKNNP-VWLOTQADSA-N 434.967 5.526 0 40 IKAB CC(C)c1ccc(N(CC(=O)NC(C)(C)CC(C)(C)C)S(=O)(=O)c2ccccc2)cc1 223475220 JPRGKKLRMOUDTL-UHFFFAOYSA-N 444.641 5.336 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1S(=O)(=O)Nc1ccccc1 223939819 XEEXLDFWXWJVHI-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224045561 KSUIQZQQFUBQAN-SFHVURJKSA-N 429.004 5.167 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 224073388 YVNKNCOTWFTGOA-IBGZPJMESA-N 440.603 5.388 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1cccc(C)c1 224109861 DENXNGQTFBYSFM-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1Cl 224135012 LJGGJPKPMSUNHS-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1C(C)(C)C 224170255 FPPWIAPPDRFLCT-UHFFFAOYSA-N 425.475 6.102 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 224508115 MPZUAOJCZLEUOT-RUZDIDTESA-N 434.580 5.424 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C(C)C 224565715 QVEZSUFPJWYCAF-UHFFFAOYSA-N 437.967 7.002 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225198049 RQAYHWXNSCHWGO-RBUKOAKNSA-N 447.044 5.295 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@@H](CC(=O)O)c1ccc(Cl)cc1 225224022 ZBENFNQXXNSSLJ-HNNXBMFYSA-N 441.778 5.222 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225338301 MLOOPWAVCQBJIG-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1c(Cl)cccc1Cl 225370152 WYLCPRZPORBEDF-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225526273 GJKGQAATUYVNEU-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB Cc1ccccc1-c1ccc(CN2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)cc1 257261914 LJHXPLUBYRCLKC-LBNVMWSVSA-N 428.551 5.439 0 40 IKAB O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 257326172 WWCRTVBCFZUGHK-UAPYVXQJSA-N 444.510 5.057 0 40 IKAB Cc1ccc(NC(=O)COC(=O)CCCOc2ccc(Cl)cc2Cl)cc1Cl 408645383 KJKYVLAJKIYQCF-UHFFFAOYSA-N 430.715 5.296 0 40 IKAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)cc1Cl 408673311 ZUMAATVFRJNDIU-UHFFFAOYSA-N 431.113 5.114 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 408696329 ZTXVEPFOWJDPFJ-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1Cl 408737933 PZYQCAXMMMMDAV-UZLBHIALSA-N 432.948 5.086 0 40 IKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccc(Cl)cc1Cl 408923065 FBQGQSAXRLFDLA-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1cc(C)c(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)cc2)c(C)c1 408992488 SXTAVDBBBWGVRG-UHFFFAOYSA-N 444.600 6.837 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3ccccc3)N(C)C2=S)cc1 409033244 OGGVPIONHCHFJU-QJOMJCCJSA-N 444.556 5.269 0 40 IKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1Cl 409050902 CPNGGSKDXJCIGR-ATVHPVEESA-N 438.332 5.507 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409177696 GKHGXYBCZJMRFU-UHFFFAOYSA-N 433.463 5.434 0 40 IKAB CC(C)CN1C[C@]2(CNC[C@@H]2c2ccc(Cl)c(F)c2)N(c2ccc(Cl)cc2)C1=O 585262185 PVBCILLNNPCZTB-GCJKJVERSA-N 436.358 5.156 0 40 IKAB Cc1noc2ccc(-c3nc4ccc(N5CCOC[C@@H]5C)cc4n3CC3CCCCC3)cc12 1772572791 JYCNBHVRGVCHIQ-SFHVURJKSA-N 444.579 5.958 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 1848355211 NBKMIEMKFOUIHD-HSZRJFAPSA-N 441.550 5.550 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 686624 GBRFNDRLADURSV-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 894965 GJIQSDQNEVMWCL-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(OC)cc3)cc2c1 916772 LXYKREJYBGDDSR-UHFFFAOYSA-N 447.560 5.091 0 40 IKAB COc1ccccc1-c1cc(-c2ccc(C)cc2)nc2sc(C(=O)N3CCCC3)c(N)c12 920378 BQNSJAIRHXFLRN-UHFFFAOYSA-N 443.572 5.766 0 40 IKAB O=C(c1ccc(Br)cc1)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363814 ROJZDQYUIYOBQY-OAHLLOKOSA-N 446.732 5.172 0 40 IKAB O=C(/C=C/c1cccc(Cl)c1)Nc1ncc(Cc2ccc(Br)cc2)s1 1751017 SSYDKTPPKSSROK-RMKNXTFCSA-N 433.758 5.802 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 2141087 GJWYMNXZCMUMNM-UHFFFAOYSA-N 449.601 6.730 0 40 IKAB CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl 2593459 KBPOBIKKNNQVDK-AWEZNQCLSA-N 444.000 6.665 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC(C)C)cc1 2765916 LOFIQQOBGFISFB-UHFFFAOYSA-N 429.925 5.895 0 40 IKAB COc1ccc(-c2cc(C(=O)Oc3ccc(C4CCCCC4)cc3)c3ccccc3n2)cc1 2772830 OXJWIDBXLZUYOM-UHFFFAOYSA-N 437.539 7.177 0 40 IKAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1)OCc1ccccc1 3262634 CDIRDAOIDXAJHT-HSZRJFAPSA-N 447.922 5.298 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1ccc(C(F)(F)F)cc1 3265539 VUYJBNHMCQMVMH-UHFFFAOYSA-N 425.453 5.924 0 40 IKAB CSc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3273840 CPBMIHHBYVYACY-SFHVURJKSA-N 447.343 5.647 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457147 SLWCUHBOOSXZLL-MRXNPFEDSA-N 426.973 5.081 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)cc1 3469777 SHYAYERUJQXJQX-UHFFFAOYSA-N 426.611 5.510 0 40 IKAB C[C@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C 4429037 FSLPMRQHCOLESF-SCWKFBCUSA-N 426.729 8.025 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCC2)c(C)c1 6195380 DQXYYYVOTQKVND-UHFFFAOYSA-N 433.621 5.903 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3nnc(SCc4ccc(F)cc4)s3)sc2c1 8440007 AKQJQDSVWKJNOO-UHFFFAOYSA-N 449.985 6.398 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)c(C)c1 8861863 GAUQVRVZVDFZEA-UHFFFAOYSA-N 439.610 5.270 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8862414 GXNPBRVXKDKRNR-IRXDYDNUSA-N 438.572 5.037 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2cccc(Cl)c2)o1)c1ccc2c(c1)CCCC2 8898827 HFWBCQIBILAADQ-CQSZACIVSA-N 427.957 5.238 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 9015200 DPMNEGULJGOWCD-KBMIEXCESA-N 439.515 5.824 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cccs1 9126544 CZWLOJCNFGUWMD-AWEZNQCLSA-N 447.029 5.745 0 40 IKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc12 9242074 PYBNKJWPHORSJP-UHFFFAOYSA-N 446.557 5.547 0 40 IKAB NC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1Cl)c1cccc(Oc2ccccc2)c1 9245748 GWKWBEBKSBWICP-FQEVSTJZSA-N 427.863 5.010 0 40 IKAB COc1cccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccc(Cl)cc2)c1 9309110 MRFHPNAPISAHAS-RMKNXTFCSA-N 433.964 6.402 0 40 IKAB CC[C@H](c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9414239 ABECTXRKMAEFIA-HTAPYJJXSA-N 447.608 5.184 0 40 IKAB CC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccc(F)cc1 9497432 YRNVJHJBCBNQMW-VWLOTQADSA-N 431.979 6.036 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc2ccccc2c1 11617206 UTLIIYFNBUCQPZ-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)C1CCN(C(=O)c2ccco2)CC1 12582546 BMLYMOMRPWFEMI-UHFFFAOYSA-N 431.517 5.047 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)n3C)cc2)c1 12621679 IAZMKTHBJGTSHO-UHFFFAOYSA-N 448.523 5.453 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1CC(F)(F)F 12637324 URAJRBCCVDPVSN-UHFFFAOYSA-N 432.537 5.238 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1OCc1ccccc1 12643680 WFRRQRGDWFQLNJ-SANMLTNESA-N 447.538 5.856 0 40 IKAB CCN(C(=O)CSc1nnc(COc2cccc(C)c2)o1)c1cccc2ccccc12 12674601 IODACCJQMILTPJ-UHFFFAOYSA-N 433.533 5.255 0 40 IKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 12771368 QNUNDINEVWGDKY-IBGZPJMESA-N 428.561 5.369 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCC)c(OCC)c1 12798665 HASBEOZKOBLGJL-UHFFFAOYSA-N 443.931 5.240 0 40 IKAB CC[C@H](C)c1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 13022388 GKHIMJVZGKSSLM-HFJWLAOPSA-N 445.588 5.267 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)[C@H](CNS(=O)(=O)c1ccccc1)c1ccccc1 13140056 ZIEVHIDFSZVYFJ-RUZDIDTESA-N 436.621 5.136 0 40 IKAB Clc1ccc2c(c1)[C@]1(c3ccccc3)Nc3ccc(Cl)cc3[C@@]1(c1ccccc1)N2 13306240 BWPUWJJVPMKKOU-WMPKNSHKSA-N 429.350 7.032 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)c3cccc(Cl)c3)cnc2n1Cc1ccccc1 13500029 QHUFLBFRRDKTHX-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB COc1ccccc1[C@@H]1c2c(ncn(Cc3ccco3)c2=N)Oc2ccc3ccccc3c21 13574088 JMQHJTVSEVSZHX-DEOSSOPVSA-N 435.483 5.452 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 13842674 VBNDYLVBRJJUAW-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB C[C@H]1CCC[C@@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C 14357037 XQQRZJNAYJNLCY-IPMKNSEASA-N 438.593 5.164 0 40 IKAB C[C@H]1Sc2ccc(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)cc2NC1=O 16014117 MYMRQEGWITTZGS-CQSZACIVSA-N 445.569 5.572 0 40 IKAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)N2 16157468 CJRJVPYPQSJNOE-OAQYLSRUSA-N 434.561 5.736 0 40 IKAB Cc1sc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c(C(N)=O)c1-c1ccc(F)cc1 17095030 SXWTYDKOWVNTHY-UHFFFAOYSA-N 426.557 5.507 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 17095874 VGPJLSQRWUPJDM-UHFFFAOYSA-N 428.513 5.149 0 40 IKAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1cccc(C(F)(F)F)c1 17191829 OEVTVIWQJLMRTN-UHFFFAOYSA-N 428.439 5.146 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 19635180 WAQMKGXQLHKXKJ-UHFFFAOYSA-N 441.987 7.600 0 40 IKAB Cc1ccc(/C=C2/SC(=O)N([C@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 20266049 BAKFGHKRERNNBA-UKYUDJEDSA-N 433.788 5.214 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499940 ZRKPTDTXPZNYJG-AREMUKBSSA-N 428.576 6.908 0 40 IKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nn12 20609764 XJYDFFRTCXSYCJ-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 20797456 QPDKFIGDPWKYMW-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB Cc1ccc(C(c2ccc(C)cc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22035526 QUHLUNRWOCMCTE-UHFFFAOYSA-N 437.631 6.125 0 40 IKAB CCCCSc1nnc(SCC(=O)Nc2cc(C3CC3)nn2-c2ccccc2)s1 23080933 UGKUIAXXKQWIMV-UHFFFAOYSA-N 445.639 5.224 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4cc(-c5ccccc5)sc4c(=O)n3C)n2)cc1 23127071 WCLZAWDMDPYXJH-UHFFFAOYSA-N 446.557 5.313 0 40 IKAB Cc1cc(Nc2ccc(Cl)c(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585729 HZQIJSAZASUIHD-UHFFFAOYSA-N 437.252 6.774 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)c3ccc(C(F)(F)F)cc3)c2)no1 28221961 NLGSPRPXVUWCLY-UHFFFAOYSA-N 439.393 5.683 0 40 IKAB COc1ccccc1[C@H](CNC(=O)c1sc2ccc(Br)cc2c1C)N(C)C 28405045 BYQRVVXPSZJEMI-KRWDZBQOSA-N 447.398 5.014 0 40 IKAB Cc1cc(C(=O)Nc2cccc3ccccc23)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271987 VMVSJRSZAMIBOC-UHFFFAOYSA-N 428.513 5.206 0 40 IKAB CCc1ccc(N2C(=O)/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C(O)=NC2=S)cc1 33403765 HILBIYIUMJMFRC-AQTBWJFISA-N 447.472 5.089 0 40 IKAB C[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 35944089 YXOHRYLHCVUPMD-MTIDIVMFSA-N 442.648 6.359 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3nc4c(C)cccc4s3)c3c(C)nn(C)c3n2)c1 36616769 CDBVJDMZSMFSGQ-UHFFFAOYSA-N 443.532 5.123 0 40 IKAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833937 BIUBGRCRLFYZCX-CYBMUJFWSA-N 442.184 5.607 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38850634 AJMSKNCBUMLIGH-JOCHJYFZSA-N 434.967 5.770 0 40 IKAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850862 AXQQQWIOGZEEGB-JOCHJYFZSA-N 445.434 5.687 0 40 IKAB CC[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2)o1)c1ccc(Br)cc1 40032366 KQRYBZFMNCINEM-GOSISDBHSA-N 431.305 5.443 0 40 IKAB COc1ccc2ncc3c(-c4ccccc4)c(C(=O)NCCCOC(C)C)sc3c2c1 45944034 LBWAHPGTSQJFRZ-UHFFFAOYSA-N 434.561 5.670 0 40 IKAB COc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)n2)cc1 57313076 APMBFXFBDURXGU-UHFFFAOYSA-N 447.354 5.377 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c(C)c1 57428511 MVBWPYBRZSUXGZ-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB O=c1c2ccccc2c(-c2nc(-c3ccc(Cl)c(F)c3)no2)cn1-c1ccc(F)cc1 67245383 LUUQNVZNGKSTGU-UHFFFAOYSA-N 435.817 5.639 0 40 IKAB Cc1ccccc1CC(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 72337824 WCKFLZIELMIGRP-DFQSSKMNSA-N 448.533 5.084 0 40 IKAB COc1cccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3cccc(OC)c3)C2)c1 95116616 ZVAKZLVHRODHEQ-JUYOQADGSA-N 444.575 5.598 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccc(-n2cccc2)cc1 96358073 FKLFNXMXJPRZOJ-UHFFFAOYSA-N 426.501 5.432 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987100 ZEEBCJUOMAGHTR-RWQQGDIJSA-N 427.504 5.704 0 40 IKAB COc1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1Cl 103004414 VBXWYDPKTYMJHQ-CPNJWEJPSA-N 439.298 5.642 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C1C)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118931319 VWSVBIDALISGLC-XTLQAHLNSA-N 442.728 8.350 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)Nc1ccc(F)cc1 210809809 NUAYJXHTVRRINC-KGENOOAVSA-N 448.475 5.293 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O[C@@H](C)CC 214242055 WVJRNWJLUAEQBG-PCXKXAPESA-N 429.513 5.638 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3ccc(OC)c(OC)c3)ccc21 216466964 GVPTXUILEJSFNN-MRXNPFEDSA-N 434.561 5.951 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)NCCSCc1cccc(Cl)c1 218853074 IPKYMQLJFUGVAL-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB CCCOc1ccccc1CCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 219773768 LQGQKNGNCAPZFQ-UHFFFAOYSA-N 437.967 6.070 0 40 IKAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccc(Cl)c(Cl)c3)CC2)cc1 219853869 WUANDKMOCFZKKV-UHFFFAOYSA-N 437.436 5.568 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222949935 WYCMIEUWBVIFQS-SFHVURJKSA-N 433.017 5.156 0 40 IKAB COc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 223395558 VHKWUQHWONWVCS-UHFFFAOYSA-N 427.953 5.450 0 40 IKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)S(=O)(=O)c1ccc2ccccc2c1 223592406 YROHQIWVRPPUAV-UHFFFAOYSA-N 435.549 5.008 0 40 IKAB CCc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224050514 KTOCANHXBAVISG-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC3CCCCCC3)c2)cc1 224063762 CRWHWOOWCVFDLC-UHFFFAOYSA-N 449.016 5.540 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224132435 GOQIPVRGRXGHTC-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C(C)(C)C 224174533 FUMBOEONZPYOIU-UHFFFAOYSA-N 429.560 5.770 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1 224657659 SYWNUZNKEAFKPM-BJKOFHAPSA-N 427.529 5.952 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccn(C)c3)cc2)cc1 224722281 ONYHGQXWDPRHTL-JWQCQUIFSA-N 440.572 5.698 0 40 IKAB Cc1cc(C)cc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1 225373995 NJTVDZWPOGAJDO-UHFFFAOYSA-N 436.577 5.155 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225478624 UPWPZHJZJZAJDL-CVDCTZTESA-N 445.003 5.221 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCC4)cc3)CCCCC2)cc1 225558804 IQSDJKJFIPZQGT-UHFFFAOYSA-N 436.596 5.401 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OC 225767926 WZLNWOZXTHUUMJ-SFHVURJKSA-N 439.552 5.500 0 40 IKAB CCN(C(=O)C(F)(F)F)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 226303078 RJZQLVGEEYEBMV-UHFFFAOYSA-N 430.308 5.832 0 40 IKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)cc1Cl 226348808 VEZSOEVWITVDTK-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB C[C@@]1(NC(=O)CCO)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Oc3ccccc3)cc2)C1 257260865 LEUDGDPFDXCSIQ-ZWEKWIFMSA-N 449.522 5.468 0 40 IKAB COc1ccc(Cc2ccc([C@@H]3CCCN3C(=O)CCN(C)c3cccc(F)c3)nc2)cc1 257262821 LNBHESJTKMYFBI-SANMLTNESA-N 447.554 5.010 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c1 408618001 IOFJQBDDRLUJRK-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408639360 FQDGSBYEJBJVSL-LJQANCHMSA-N 430.504 5.096 0 40 IKAB CCOc1ccc(/C=C2\SC(=N)N(c3ccc(Br)cc3)C2=O)cc1OCC 408887764 TWROXGPQXVVBDD-OUCYFQBSSA-N 447.354 5.302 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2cccs2)c(-c2ccccc2)s1 409052501 JYEXNMNNAAVUAI-UHFFFAOYSA-N 426.950 6.453 0 40 IKAB O=C1/C(=C/c2ccc(OCc3ccc(F)cc3)c(Cl)c2)NC(=S)N1C1CCCCC1 409077355 FDQOVUFSHHXZDW-MOSHPQCFSA-N 444.959 5.448 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409140468 DVZLKJWLASWBQK-UHFFFAOYSA-N 448.891 5.394 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)CSc1ccc(Br)cc1 409177557 CAUPJKOLGGNDQP-UHFFFAOYSA-N 429.177 5.559 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(SCc2ccc(Cl)cc2Cl)n1 409386201 RHTROYQAAWBGIP-UHFFFAOYSA-N 449.712 7.415 0 40 IKAB CC(C)[C@@H]1C[C@H](c2ccccc2Cl)CO[C@H]1c1cccc(OCC(=O)NC(C)(C)C)c1 585295426 ZATXLUJYKOFWLO-JTJYXVOQSA-N 444.015 6.151 0 40 IKAB CN(C[C@@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622808531 LLOQPZYPONHRKU-KXBFYZLASA-N 445.403 5.964 0 40 IKAB CCN1CCCCN(C(=O)CCC2CCCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582914 PNGWWRLROLACKQ-QHCPKHFHSA-N 442.644 5.535 0 40 IKAB O=C(O)c1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)c1 2037928543 MDGYUGNDLOTHJL-UHFFFAOYSA-N 443.547 5.147 0 40 IKAB CCOC(=O)c1cnn(-c2ccccc2)c1NC(=O)c1sc2ccccc2c1Cl 753936 LMFPJCBCRDRWBD-UHFFFAOYSA-N 425.897 5.169 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)cc1 991955 GOOYWWXCWZSZNV-UHFFFAOYSA-N 438.549 5.536 0 40 IKAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1 1338638 KFNUXOPRMHDDEF-QFIPXVFZSA-N 435.597 5.573 0 40 IKAB CCOC(=O)c1c(CSc2ccccc2)n(C)c2cc(Br)c(OC)cc12 1437231 ONOSVRGAHFKSPF-UHFFFAOYSA-N 434.355 5.418 0 40 IKAB biogenic CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 1827861 FGKFLIXXROEYQJ-SFHVURJKSA-N 428.623 5.745 0 40 IKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1 1859686 BEUGGBKUOANZLW-INIZCTEOSA-N 432.951 7.476 0 40 IKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 2509515 AHQGBTJUQBJWCN-HAUQEPAVSA-N 436.592 6.107 0 40 IKAB CCn1c(SCCc2ccccc2)nnc1-c1sc2cc(Cl)ccc2c1Cl 2695687 CSUKESLKPCZGOD-UHFFFAOYSA-N 434.417 6.821 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)c2ccccc2Cl)cc1)c1ccc(Cl)cc1Cl 3116765 HKYBANIKCDDZJW-UHFFFAOYSA-N 440.735 5.732 0 40 IKAB CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(Cl)cc1 3285913 ZGDUYOJZCMHHKX-UHFFFAOYSA-N 433.027 6.146 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccc(Cl)cc2Cl)c(C)c1 3290961 KTPRWCAWWLSILX-UHFFFAOYSA-N 448.415 6.310 0 40 IKAB CCOc1cc(/C=C/C(=O)NC[C@H](c2ccccc2)N(C)C)ccc1OCc1ccccc1 3298419 ITRXRVVYJWRDGF-QQDPUAARSA-N 444.575 5.097 0 40 IKAB C[C@@H]1CCCN(Cn2nc(-c3c[nH]c4ccccc34)n(-c3ccc(Cl)cc3)c2=S)C1 3377801 AHKLMLSYKNJUSD-MRXNPFEDSA-N 438.000 5.894 0 40 IKAB COc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)Nc2cccc(Cl)c2Cl)c1 3833973 PRKGLTOOEULMFS-UHFFFAOYSA-N 433.339 6.129 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 3865100 KVALJVQIKPOBBW-SRTYKXDFSA-N 447.531 5.964 0 40 IKAB C[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 5759393 KZASEJMAAFUHML-VLEHOIQBSA-N 425.572 5.312 0 40 IKAB Cc1ccc(C)c(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 6281531 IDAYYZHATCCBSC-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCCC2 8445629 CRRHJTCKHGCDMR-UHFFFAOYSA-N 434.561 5.839 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)C12CC3CC(CC(C3)C1)C2 8454182 AIBZICVOIMSOSW-UHFFFAOYSA-N 449.019 7.285 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)N[C@H]1CCCc2ccccc21 8685454 BLHDQZRYPMMZDK-IBGZPJMESA-N 448.781 6.007 0 40 IKAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3ccc(OC)c(OC)c3)n2)cc1 8740469 KJMWDAPBLSMPJQ-UHFFFAOYSA-N 445.515 5.536 0 40 IKAB biogenic COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@H](C)CCC[C@H]1C 8749335 GSUHLVCXCHVJJA-RTBURBONSA-N 446.547 5.269 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)c1 8752397 NZHSENJLTVGDGX-HSZRJFAPSA-N 437.587 6.147 0 40 IKAB Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(Oc2ccccc2)cc1 8782179 LGEJEOSMEBYTCO-UHFFFAOYSA-N 444.534 7.822 0 40 IKAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2ccccc2)CCC(C(C)(C)C)CC1 8926007 KWOHMLQWUXFADN-UHFFFAOYSA-N 432.572 5.899 0 40 IKAB Cc1ccc(C)c(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 9064846 ONZNOTWTNLXECU-SOFGYWHQSA-N 445.371 6.397 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)n1 9161206 PKJDPNPPVSJIMV-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccccn1 9223886 UIOMUJSLWDMPMS-GOSISDBHSA-N 434.801 5.291 0 40 IKAB Cc1ccc(N[C@@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1Cl 9371663 OGHVHXBKJKTYID-QFIPXVFZSA-N 435.907 5.128 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3c(C)nn(-c4ccccc4)c3Cl)s2)cs1 9384735 HLLNSJKXSFVUDH-UHFFFAOYSA-N 442.997 5.300 0 40 IKAB Cc1ccc2nc(NC(=O)CSc3nc(-c4ccccc4Cl)ns3)sc2c1 9404036 QIPOPQXIFWYLMB-UHFFFAOYSA-N 432.983 5.507 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 9409267 DMXBBEZVURHASH-RUZDIDTESA-N 449.551 5.315 0 40 IKAB COc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)c1 9495156 JQCQOPSIUBRWOW-LJQANCHMSA-N 425.282 5.042 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)[nH]c2-c2ccccc2)cc1 9512780 JVPZCPVCXNEJBC-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB O=C(c1ccc(Br)o1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 9647724 GJLTWBOZYNCYBZ-UHFFFAOYSA-N 425.735 5.325 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1 10045096 GRLIKRPKPDOKLE-UHFFFAOYSA-N 433.291 5.071 0 40 IKAB O=C(CSc1ccc(C(F)(F)F)cn1)Nc1ccccc1C(=O)Nc1ccccc1 10320816 NOFQTDQFPWLACY-UHFFFAOYSA-N 431.439 5.084 0 40 IKAB O=C(NCCCCOc1ccccc1)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 11080310 OBBKWPIQPIWRBZ-UHFFFAOYSA-N 430.426 5.482 0 40 IKAB COc1ccc2cc(-c3cc(=O)oc4cc(OCc5cccc(F)c5)ccc34)c(=O)oc2c1 11865630 JQPVVLRGPKXNBF-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB Cc1nc2c(cc(Oc3ncnc4scc(-c5ccc(F)cc5)c34)c3ccsc32)s1 12624922 QYXKLEHQRGJACU-UHFFFAOYSA-N 449.557 7.423 0 40 IKAB COc1ccc(-c2c/c(=N\c3ccc(Nc4ccccc4)cc3)c3ccccc3o2)cc1OC 12661639 ZKUWTMHTTNOREK-QCKNELIISA-N 448.522 7.093 0 40 IKAB biogenic Cc1noc(C)c1CSc1ncccc1C(=O)NC(c1ccccc1)c1ccccc1 12758160 SMSFTHGMIWEMBO-UHFFFAOYSA-N 429.545 5.498 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)Nc2ccc(C)cc2C)cc1 12822444 UNHDVRDHSIJECZ-UHFFFAOYSA-N 434.561 5.715 0 40 IKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 12900688 HCDWSQOHBPBSML-INIZCTEOSA-N 437.565 5.408 0 40 IKAB COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026868 ZBNBJERGPUCSIM-RUZDIDTESA-N 446.547 5.039 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@H](C)C4)ncnc32)cc1 13298512 JZHYGSMCUBOIET-KDURUIRLSA-N 428.536 5.100 0 40 IKAB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1cccc(C(F)(F)F)c1 13512803 HKFLNZPHBCKRBJ-UHFFFAOYSA-N 446.517 6.134 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 13786101 MPRXCXOBOBBYHI-XNMGPUDCSA-N 428.532 6.070 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2ccc(Cl)cc2)ccc1Cl 14153456 XOPNQAKKTQHTCX-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14271890 JASDYTPWKYZRSU-HXUWFJFHSA-N 443.616 5.711 0 40 IKAB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 14272457 BEYZJIYRTMJJTB-VQHVLOKHSA-N 443.355 7.132 0 40 IKAB CCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)c2ccccc2c1=O 14866755 GWAVRPPBFPPEJI-UHFFFAOYSA-N 449.894 5.123 0 40 IKAB Cc1cccc(NC(=O)Nc2cccc(Cl)c2)c1NC(=O)Nc1cccc(Cl)c1 16362310 HXPBZZRKFCREGM-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB CC(=O)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1 16837185 AERCLZAZAGGPJZ-UHFFFAOYSA-N 447.585 5.468 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 17097150 XOFXYFMTUPFWMK-KRWDZBQOSA-N 430.573 6.803 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692223 OTGRIRPLZNVMSD-DEOSSOPVSA-N 449.913 5.160 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1ccc2ccccc2c1)S(=O)(=O)c1ccccc1 22274078 OUYUUIIHXNJLPU-UHFFFAOYSA-N 444.556 5.236 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCC[C@@H]1c1cccs1 24632106 MBXNBEGUJZSBPP-HXUWFJFHSA-N 449.576 5.953 0 40 IKAB O=C(c1ccc(-c2nnc(-c3ccccc3)o2)cc1)N1CC=C(c2c[nH]c3ncccc23)CC1 25613089 POCVOGUKQGUGLQ-UHFFFAOYSA-N 447.498 5.209 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)ccc1Cl 30859622 FMPYXQZRBHWTNS-UHFFFAOYSA-N 441.936 5.550 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)c(Cl)c1 32128005 GFPUWYVZQAWVDL-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB Cn1cc(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 33255931 TUMPFNPTGRRFJY-UHFFFAOYSA-N 438.890 5.038 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)cc3)cc1)=NCC2 35623011 HAXCWNUIUQWKNI-UHFFFAOYSA-N 429.520 5.244 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 44849404 MMXXTJQTRAKXHS-SFHVURJKSA-N 440.540 5.043 0 40 IKAB Cc1ccc(-c2c(C(=O)NCCCc3ccco3)sc3c2cnc2ccccc23)cc1C 45943860 GDFFGFIHCNQLKQ-UHFFFAOYSA-N 440.568 6.689 0 40 IKAB Cc1nc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)sc1C(=O)O 51330193 FUBCIUTVAFXUQW-RCRDGBFISA-N 429.545 5.951 0 40 IKAB O=Cc1ccc(C(c2ccc(C=O)cc2)(c2ccc(C=O)cc2)c2ccc(C=O)cc2)cc1 55169510 NKFUMXIARBFRPH-UHFFFAOYSA-N 432.475 5.319 0 40 IKAB COCc1c(C(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccncc2)oc2ccccc12 58342409 YCNYMQNHKPIOTA-UHFFFAOYSA-N 435.867 5.132 0 40 IKAB O=C(N1CC(c2nc(-c3cccc(C(F)(F)F)c3)no2)C1)C1(c2cccs2)CCCC1 77191065 QLPXNSNUPLLDIG-UHFFFAOYSA-N 447.482 5.255 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1O 106734660 WKNMADMZYBVBDJ-APSNUPSMSA-N 442.295 5.473 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 107822700 RONOCVNKCSWYOD-UHFFFAOYSA-N 432.564 5.949 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc(-c4ccccc4)cs3)o2)cc1C 108106882 NQBBPLDVPGOCGO-UHFFFAOYSA-N 433.558 5.814 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccccc1Br 215091686 PGUZWYDPPIKLJS-VIZOYTHASA-N 443.149 5.992 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 222776873 LMIGMJHSZGGLBT-NSHDSACASA-N 448.177 5.006 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222979464 DZRCJUQMCUEAFF-FGZHOGPDSA-N 425.001 5.607 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C(C)C 223350212 MWDWXDQZFXCPCZ-LJQANCHMSA-N 426.576 5.356 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395906 VDLIEKXWRNHCLM-LOSJGSFVSA-N 440.572 5.054 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223540256 MUTZJVYHKIVROI-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223994787 HOYUGGVPMJDPRH-RPWUZVMVSA-N 445.592 5.134 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)NCCC3CCCCCC3)ccc2C)cc1 224047056 KILRAFYZKSJGMR-UHFFFAOYSA-N 428.598 5.195 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 224241334 MAVCYROZYZWMAD-LJQANCHMSA-N 445.003 5.032 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224727656 LSTBEKIIADSUGM-RPWUZVMVSA-N 442.544 5.388 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224809495 DUHYEBQOQRGMCW-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)ccc1F 224914766 XTAZVRLRLQCBPK-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)c(OC)c1 224930309 YXKCIMBHHINQPM-UHFFFAOYSA-N 448.906 5.609 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1F 225188430 XXJDEWNHXCVNRK-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225587149 WZGILZPMSSAGGT-AVRDEDQJSA-N 447.044 5.463 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1 225655022 SRAYBBBCNHHCQF-JOCHJYFZSA-N 449.422 5.790 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5cccnc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252495771 OZTJWHHQFTUXEG-CHLJYJIOSA-N 439.684 6.175 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(Br)cc12 253536082 HDSNWFDTYGWGCM-UHFFFAOYSA-N 446.098 5.787 0 40 IKAB C[C@]1(NC(=O)c2ccc(Cl)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1 257203292 APKKFKPNOBGUOT-GIFXNVAJSA-N 440.370 6.775 0 40 IKAB COc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CCc2ccccc2)n1 257243908 IJBBLVYUCGEEIW-UHFFFAOYSA-N 432.907 5.820 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccc(Cc2ccc(Cl)cc2)cn1 257301555 RYYMAOCGQAWPMV-SANMLTNESA-N 443.978 6.103 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5cnccc5c4)CC3)CCOCC2)cc1 257340611 ZGWNHFLQCIRJQY-HSZRJFAPSA-N 442.603 5.463 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C[C@@H]21 257345093 ZZXPGTDJAKUMGZ-SPAWWWTRSA-N 441.955 5.178 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(F)cc1 408561965 MCSVXRCRRKBPQO-DAFNUICNSA-N 437.367 6.376 0 40 IKAB COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 408572043 DXZHJOPGZZDFPQ-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB COc1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)ccc1OC(C)C 408632357 DVRVWAQVWQBNPJ-WQRHYEAKSA-N 445.928 5.139 0 40 IKAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 408670042 WXPHTBJAPAJWFW-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972786 FOFFNMZKYWSJHY-HHHXNRCGSA-N 444.600 5.879 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(F)c2)=N[C@H]1c1ccccc1 408991621 QSOVAZUKCNXOAW-QHCPKHFHSA-N 446.547 5.734 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 409114735 IIGILDXMKKFERJ-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3cc(C)c(C)cc3Br)c(=S)o2)cc1 409157238 PJDOJAKBCOJTTO-UHFFFAOYSA-N 432.343 5.199 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 409262216 FVFFAPRRTKJNLL-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1Cl 409351995 VKASMXMLAMCUMJ-UHFFFAOYSA-N 447.347 5.574 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1Cc1ccc(F)cc1 585266033 ZTMGEYRBDPMPEM-UHFFFAOYSA-N 447.893 6.409 0 40 IKAB O=C(Nc1nc([C@@H]2CCCN2Cc2ccc(Cl)nc2)cs1)c1cccc(Cl)c1 585293842 AWXFDIBWRWYXDU-KRWDZBQOSA-N 433.364 5.434 0 40 IKAB COc1ccc([C@@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(C)C)cc1OC 604418805 FIEISPJWWPEVGB-AVRDEDQJSA-N 439.581 5.557 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 874544 UIRUQIAJHFZXIJ-UHFFFAOYSA-N 435.524 5.276 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccc(F)cc3)cc12 1366508 NXRBLFHKANIIOU-UHFFFAOYSA-N 432.470 5.266 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)[C@@H](Oc3ccccc3C)[C@@H]2c2ccc(OCC)cc2)cc1 1439879 FFYNZUVUALAQAO-DQEYMECFSA-N 445.515 5.106 0 40 IKAB COc1cccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 1906268 PADDORSABPFZPB-UHFFFAOYSA-N 432.589 5.777 0 40 IKAB biogenic CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)c12 2096067 DCLXQSNZWRZPHU-KRWDZBQOSA-N 431.529 5.043 0 40 IKAB biogenic CCCCc1ccc(-c2c(C)sc(NC(=O)c3cc(C)oc3C)c2C(=O)OCC)cc1 2107935 GCVMTTUXRJTCFQ-UHFFFAOYSA-N 439.577 6.705 0 40 IKAB Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccccc4)cc3)nc(-c3ccccc3)c2c1 2297558 NPKHAOWNYDJJCL-UHFFFAOYSA-N 430.511 6.601 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3F)sc2c1 2329815 SNZDLNDACRSTEI-NRFANRHFSA-N 442.471 5.600 0 40 IKAB CCCC(=O)Nc1ccc2nc(SCC(=O)c3ccc(Br)cc3)sc2c1 2409245 SEYABELFJZGVSY-UHFFFAOYSA-N 449.395 5.772 0 40 IKAB COc1ccc(C(=O)c2sc3nc(C4CC4)cc(-c4ccc(OC)cc4)c3c2N)cc1 2465718 WMNGZZLQCPFYBO-UHFFFAOYSA-N 430.529 5.671 0 40 IKAB C=CC(=O)Oc1ccc(C(c2ccc(OC(=O)C=C)cc2)(C(F)(F)F)C(F)(F)F)cc1 2571961 SZTUJDINRYGMRV-UHFFFAOYSA-N 444.327 5.280 0 40 IKAB in-vitro O=C(COc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Cl)cc1C(F)(F)F 2650363 JZOKHPNRTORAMN-UHFFFAOYSA-N 441.862 5.260 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1SCc1ccccc1F 2721763 SZRGELFADSIFGZ-UHFFFAOYSA-N 449.525 5.806 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4Cl)noc3C)c2C(N)=O)C1 2744777 GQIRPFHYTNYTQF-LBPRGKRZSA-N 443.956 5.231 0 40 IKAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1cccc(Cl)c1 3133185 BGDFYLHOANBXRX-UHFFFAOYSA-N 443.808 6.889 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 3190464 NXEUDPLQPFWHHL-LQDNNDEMSA-N 434.322 5.564 0 40 IKAB biogenic O=C(CSC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1N1CCCC1 3336752 SFYXMRSOGFCVBA-UHFFFAOYSA-N 437.008 6.402 0 40 IKAB Cc1ccc2c(CSc3nc4scc(-c5cccs5)c4c(=O)[nH]3)cc(=O)oc2c1 3450540 GWLRPAUJJBBTFN-UHFFFAOYSA-N 438.555 5.420 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)cc2c1 6300298 RQUXTKCDAQKKNF-HXUWFJFHSA-N 447.648 5.915 0 40 IKAB CCOc1ccccc1[C@H]1Nc2ccc(Br)cc2C(=O)N1c1cccc(C)c1 8432251 IWCIUIYQTDHEFY-QFIPXVFZSA-N 437.337 5.927 0 40 IKAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)C2CCCCC2)C1 8624051 RARJPYUXDAWUBF-UYAOXDASSA-N 431.502 5.617 0 40 IKAB biogenic,in-vitro Cc1cc(C)c(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1C 8756261 YFHQPXDVKAKKJI-OAQYLSRUSA-N 441.550 5.978 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 8915800 IUHJYIBJRAIFPD-SFHVURJKSA-N 431.923 5.267 0 40 IKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c1 8920534 YXDHUPRHQFCOJZ-UHFFFAOYSA-N 444.531 6.668 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2F)c2ccccc2)c1 9412495 ZXKZPHGHMUSPLH-QFIPXVFZSA-N 446.507 5.081 0 40 IKAB Cc1nn2c(Nc3ccc(Br)cc3)cc(C(C)(C)C)nc2c1-c1ccccc1 9446733 QHHNYOJVXYDQNV-UHFFFAOYSA-N 435.369 6.508 0 40 IKAB CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2Cl)C(c2ccc(Cl)cc2)=N1 9599220 PCLWHGZLWMOIOQ-UHFFFAOYSA-N 440.783 5.956 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)c1)c1cccs1 9712504 CGTNEZPDDQEFRD-LJQANCHMSA-N 447.585 5.978 0 40 IKAB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccc(Br)cc1)N2 9763452 NXBLBFHPOKCBJE-GJZGRUSLSA-N 439.144 5.076 0 40 IKAB O=C(CSc1nnc2n1CCCCC2)Nc1cc(Cl)ccc1Oc1ccccc1 9884417 MAGIOWAHAZVJEM-UHFFFAOYSA-N 428.945 5.181 0 40 IKAB Cc1c(Cl)ccc2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(Cl)s3)nc12 11159941 AMDPWTQGZSPWHA-LLVKDONJSA-N 427.378 5.799 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@@H]21 12196255 SQGDTMBVLLCXMU-UQBPGWFLSA-N 434.492 5.246 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)cc2)cc1 12565331 AAOHXZLWBSGPST-UHFFFAOYSA-N 442.386 6.800 0 40 IKAB CCCCOc1c(Cl)cc(C(=O)Nc2ccc3c(c2)CCN3C(C)=O)cc1OCC 12937609 AUJBSSUIVUWPNX-UHFFFAOYSA-N 430.932 5.079 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 13082912 ZSJUNKCEQZMPCX-OALUTQOASA-N 435.593 5.109 0 40 IKAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 13163408 RKHKNTVYUQHUNN-KRWDZBQOSA-N 435.574 5.352 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccc(Cl)cc3)cnc2n1Cc1ccccc1 13500033 NLTAVLRYILLSLZ-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3c2c(-c2ccc(Cl)cc2)nn3-c2ccccc2)ccc1O 13518321 PIJNRJUMKPFUIJ-LJQANCHMSA-N 445.906 5.381 0 40 IKAB O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1ccccc1)c1cccs1 13575208 ZWRVFBCLONJHIQ-GOSISDBHSA-N 438.858 5.471 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685264 USTMZYACQKLKFE-FQEVSTJZSA-N 438.527 5.218 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)cc1C 14155390 YBHKYLQFWVPYFK-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB COc1ccc(OC)c(-n2c(-c3ccc(Cl)cc3)cnc2Nc2nc(C)cc(C)n2)c1 14608335 SZRQMTDISMJRIX-UHFFFAOYSA-N 435.915 5.360 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)c(NC(=O)c3ccc(OC)cc3)cc2Cl)cc1 16216348 WVRKNIIALGUXNC-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 17094299 PZHMVMWWHSTYFL-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 17098583 KVRWZNCEQAZUHO-KRWDZBQOSA-N 433.577 5.354 0 40 IKAB CCCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OCC)C2 17269841 MMHFVNQYDZKPFT-UHFFFAOYSA-N 443.594 5.668 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 19636522 NKFXXCJQQQBJIH-IBGZPJMESA-N 442.559 7.440 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3nc4cc(Cl)c(C)cc4s3)o2)cc1Cl 19637769 NJFSNFRKNKCUFL-SOFGYWHQSA-N 443.355 7.132 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 19690412 RKCNLBIDKIFGQB-UHFFFAOYSA-N 441.550 5.632 0 40 IKAB CN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1 19856479 HPFXXJMNYCUULJ-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20459583 ZQVHLCXIVDCSQL-FQEVSTJZSA-N 441.575 5.420 0 40 IKAB CSc1ccc(CN(C)C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 24627139 RZWZITUWIBVKQQ-NRFANRHFSA-N 432.589 5.073 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC)c(Cl)c3)sc2c1 32119173 SZCRUVMUDTUZHC-UHFFFAOYSA-N 433.986 5.428 0 40 IKAB C[C@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(F)c(F)c1 33040117 UHOOHSNFBDDDEP-NSHDSACASA-N 431.895 5.434 0 40 IKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 33725142 FYXLQXOSGHZHJY-HJPQOAPOSA-N 439.993 6.295 0 40 IKAB CCOc1cc(COc2c(Cl)cc(CO)cc2OC)ccc1OCc1ccccc1 33797928 IUKKBHFJGFPLRO-UHFFFAOYSA-N 428.912 5.398 0 40 IKAB CCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 41091594 SZJLTERUVIGMMG-UHFFFAOYSA-N 441.940 5.384 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 44855247 UIZCETYSAHVXGJ-JOCHJYFZSA-N 444.978 5.418 0 40 IKAB Cc1cnn(CCN(Cc2cc(-c3ccccc3)no2)Cc2cc(-c3ccccc3)no2)c1 70011598 BGZJOKIIHLBNTQ-UHFFFAOYSA-N 439.519 5.204 0 40 IKAB CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N2CCCC2)cc1 71328079 BKFPINJOMCACIC-UHFFFAOYSA-N 427.614 5.083 0 40 IKAB CC(C)(C)c1cc(-c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc(C(C)(C)C)c1 72333532 LHGWXZPILIPUEA-UHFFFAOYSA-N 448.680 6.916 0 40 IKAB O=C1c2ccccc2C(=O)N1CC[C@@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 77311943 HBVJWKXCFVAHNT-OAQYLSRUSA-N 425.406 5.512 0 40 IKAB in-vitro O=C(Nc1cccc(NC(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)c1)c1cccs1 89780545 JEXZKHFEBVTCHI-LJQANCHMSA-N 441.940 5.339 0 40 IKAB COC1CCN(c2ccc(NC(=O)CCc3cccc(Oc4ccc(F)cc4)c3)cc2)CC1 96104489 PNFXEWTWHPIYAN-UHFFFAOYSA-N 448.538 5.805 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 106699329 SQBZRDRZWCRNTM-CHHVJCJISA-N 432.250 6.249 0 40 IKAB Clc1cccc(COc2ccc3ccccc3c2CNc2ccc(Cl)c(Cl)c2)c1 107029280 LDPOWLQVFGWWAG-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB CCO[C@H]1C[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 118936682 FEDFCOPSAFXWTA-QJTRJXEFSA-N 428.613 6.164 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 222552073 HCEQTHNNEZNDAV-JOCHJYFZSA-N 445.003 5.174 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222802375 ZJSHWLFHGVBYQL-RBUKOAKNSA-N 428.355 5.097 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223028275 VHERHBNMXZKMTE-WOJBJXKFSA-N 448.375 5.267 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 223086030 JSWIITSIDVVCJH-SFTDATJTSA-N 437.638 5.251 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 223108877 PMEBMCNCZUTIHV-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223648950 IWYLUOOLRZHLLT-HSZRJFAPSA-N 429.004 5.305 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 223753005 OSSPWNLPRXAZHD-DQEYMECFSA-N 440.572 5.366 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224243395 MFKKVCDYQGZXER-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 224260015 JKOLXNCULCBBTD-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224315903 LGNAOJWMJFSMQD-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224495223 MIOPLAAXIGFZOZ-INIZCTEOSA-N 444.358 6.462 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)c1 224664497 MLDMFOCHRSGOGM-PHCAOYFPSA-N 446.572 5.246 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224704192 PXCSUBIJHHLPOA-OAQYLSRUSA-N 433.017 5.012 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225131599 GIWWWGRXDBPHTL-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225324231 UXJZTCBTCOWXPP-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB O=C(NCCCc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)cc2F)CC1 225589616 BWJPSLKLABGXDR-UHFFFAOYSA-N 438.974 5.593 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 225665950 BKQYHLQMSSXVCR-WMZHIEFXSA-N 442.575 5.050 0 40 IKAB O=C(c1cccc2ncccc12)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 257297928 RJJXSMQFEPMMLW-RUZDIDTESA-N 443.934 5.088 0 40 IKAB COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 408571265 AUPKJPDHHKNVHR-UHFFFAOYSA-N 441.936 5.122 0 40 IKAB S=C(NCc1ccco1)c1ccc(OCc2ccccc2Cl)c(Br)c1 408578628 ZJFMVNWZDUKKDG-UHFFFAOYSA-N 436.758 5.740 0 40 IKAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 408614281 ALHOULIRNUQZSF-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408646779 WKFGEVHDAZEQEJ-NRFANRHFSA-N 428.532 5.650 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cc(Cl)ccc2C)c1 408693592 ANWXNUSONSFCLD-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(OC)cc3)nc2-c2ccc(Cl)cc2)cc1 408695635 RSYDCAOKSVBHCU-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccccc1 408840180 YGXDEEKEGKPEDS-XSFVSMFZSA-N 447.874 5.302 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)c(C)c1 408923896 HWGAKYDECBECKT-GOSISDBHSA-N 440.590 5.224 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OS(=O)(=O)c3ccc(C)cc3)c(OC)c2)cc1 409114223 GMNZFDWCROLWOE-UHFFFAOYSA-N 447.940 5.045 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409122113 ZFVXECZSLBMEEL-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 409184370 XQZDVMQHLMVOJU-UHFFFAOYSA-N 430.500 5.551 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3cccc(Cl)c3C2=O)c(Cl)c1)c1cccnc1Cl 585656058 YDCNQRJIGUTXNY-UHFFFAOYSA-N 446.677 5.095 0 40 IKAB COc1ccc([C@@H](NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(C)C)cc1OC 604418807 FIEISPJWWPEVGB-GCJKJVERSA-N 439.581 5.557 0 40 IKAB Cn1c([C@H]2CCCN2C(=O)C[C@H](c2ccc(Cl)cc2)n2cccc2)nc2ccccc21 1614476983 OHSSLCHHZJYGQR-DHIUTWEWSA-N 432.955 5.371 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)cc12 1848353256 QDSOMKJZKQRVNS-SFHVURJKSA-N 433.939 5.728 0 40 IKAB Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)c1 756801 XGSSJTLFEDWWSI-UHFFFAOYSA-N 431.561 6.195 0 40 IKAB Cc1cccc(C(=O)N[C@@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c1 836719 YIHQJNZPBXHQLN-KRWDZBQOSA-N 444.815 5.025 0 40 IKAB Cc1cc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc(C)c1Cl 950737 BFZDWPZROKQAQD-UHFFFAOYSA-N 426.877 6.136 0 40 IKAB CC1(C)CN(c2ccc(-c3ccnc4nc(SCc5cccc(Cl)c5)nn34)cc2)C1=O 1383268 DJSVTWIGHGRTSE-UHFFFAOYSA-N 449.967 5.110 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(CC)cc1 2061264 HNZQDLCCJXQRJF-UHFFFAOYSA-N 427.522 5.028 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)c(C)c1 2083631 NYFDFMYMPAKFOA-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc(C(C)C)c2)cc1 2196168 LTXMFUIJINSQNM-UHFFFAOYSA-N 428.532 5.665 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cc(Cl)ccc1Cl 2263632 SSUHQGFWOYTLAF-UHFFFAOYSA-N 449.319 5.217 0 40 IKAB CCCc1nc2sc3c(NCCCN(CC)CC)nc(SC)nc3c2c2c1CCC2 2428917 GQLDKLXCAOTHMV-UHFFFAOYSA-N 443.686 5.546 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C 2546440 QTYSJIAALFEGPV-XMMPIXPASA-N 436.596 6.578 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(O)cc2)cc1 2704773 BNPAHEIGFGHDEQ-JOCHJYFZSA-N 431.875 5.206 0 40 IKAB O=C1c2cc(Br)ccc2N[C@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 2745254 PCPJKCVHCLKPIL-FQEVSTJZSA-N 441.256 5.088 0 40 IKAB S=C(NNC(=S)Nc1ccccc1Cl)Nc1ccc(Oc2ccccc2)cc1 3257751 YKYSMFAMJUABBY-UHFFFAOYSA-N 428.970 5.320 0 40 IKAB O=C(OCc1coc(-c2cccs2)n1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3446057 XWNRSTZCKITCNZ-UHFFFAOYSA-N 446.915 6.629 0 40 IKAB CCCC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 4703248 DIJVMOOMEKHXRZ-UHFFFAOYSA-N 433.600 6.189 0 40 IKAB CCCCCC1CCC(c2ccc(-c3nnc(-c4ccc(OCCCC)cc4)o3)cc2)CC1 6471879 UCULDTASYGSFMS-UHFFFAOYSA-N 446.635 8.437 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8426036 BSQJTGUYECLOCX-UHFFFAOYSA-N 446.984 7.158 0 40 IKAB Cc1ccc(-c2nn(CN3CC[C@@H](c4ccccc4)C3)c(=S)n2-c2ccccc2)cc1 8815708 QRACEEYNLCOODE-HSZRJFAPSA-N 426.589 5.826 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 9064768 GACHRAZXYXECJD-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 9281747 BLNJOOVTPUGVIC-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB CC[C@@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 9282739 KZJIIMLMFJSOOL-GFCCVEGCSA-N 428.414 5.130 0 40 IKAB Cc1cccc(NC2=C[C@@H](c3ccc4c5c(cccc35)CC4)N(c3cccc(C)c3)C2=O)c1 9290915 NTFPIBPIHRNKIV-NDEPHWFRSA-N 430.551 6.639 0 40 IKAB Cc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)Nc3ccc(N4CCC(C)CC4)cc3)ccc12 9410778 MJUAKJAOBDNTPV-IBGZPJMESA-N 434.536 5.052 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)nc2ccccc21 9462363 KESVBGWDEVVRES-INIZCTEOSA-N 436.606 5.164 0 40 IKAB CC(C)(C)[C@@H]1CCc2onc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)c2C1 9597943 PORSHRGDSAHHFY-CQSZACIVSA-N 447.366 5.630 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 9599168 YDULNJSXWUBPMD-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB Nc1c(C(=O)N2CCc3ccccc3C2)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3 9805210 PWGIOKJLJNEOCD-LJQANCHMSA-N 439.584 5.350 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cc(C)cc4C)cc3C[C@@H]2C)cc1 10327154 VEHOVCJAHNAKGE-FQEVSTJZSA-N 448.588 5.312 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 12401757 IIUKZOYEXWDWCJ-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(OCC)c(OCC)c1)=NNC(c1ccccc1)=N2 12485853 IXAALZMZDNSPKC-UHFFFAOYSA-N 429.520 5.317 0 40 IKAB Cc1cc2nc(/C=C/c3cn(-c4ccccc4)nc3-c3cc4ccccc4o3)sc2cc1C 12660873 MEARAIDKJXGGBL-OUKQBFOZSA-N 447.563 7.682 0 40 IKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 12678118 XCEPAVWBPFYCLM-UHFFFAOYSA-N 428.561 5.379 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 12697639 WAAKCHNQRXOLGK-FCHUYYIVSA-N 431.561 5.314 0 40 IKAB CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)C(c1ccccc1)c1ccccc1 12809108 AANCJJBZODQGFK-UHFFFAOYSA-N 427.577 5.490 0 40 IKAB O=C(c1cc(Oc2ccc(OCc3ccccc3)cc2)nc2ccccc12)N1CCOCC1 13150214 QEALVFIANIWODF-UHFFFAOYSA-N 440.499 5.079 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 13387895 JAWYITGVFTYRFB-HUUCEWRRSA-N 438.837 5.028 0 40 IKAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)c(F)c1 14072422 LKHSTSHWRQRYRX-QGZVFWFLSA-N 432.470 6.097 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 14398215 SZJABXUOCUJUFG-CQSZACIVSA-N 437.321 5.303 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 17095274 XHULMKGQXOZTHY-UHFFFAOYSA-N 427.287 5.740 0 40 IKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1cccc(OCc2ccccc2)c1 17095888 XRYXSLQOKJFJPW-UHFFFAOYSA-N 428.513 5.251 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1F 17096270 DCKKHKMJGVALRW-FARCUNLSSA-N 429.083 5.011 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1Cl)c1cccc(OCc2ccccc2)c1 17097395 POTYEVCQGXNGTJ-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 17099864 VTFNLMKTFTUURP-UHFFFAOYSA-N 435.955 5.194 0 40 IKAB CC(C)n1cc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c2ccccc21 19454803 SOPKNZRLDLWPMN-AREMUKBSSA-N 446.639 5.733 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc(OC)c(F)c3)c2)cc1 19690660 YJMQQCCKWACQMX-XMMPIXPASA-N 434.511 5.120 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 20484789 QKMXYNDUUAOZIR-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc(CN2CCCC2=O)c1 21586944 HYQKGXGAWBNASM-UHFFFAOYSA-N 430.348 5.099 0 40 IKAB Cc1cc(-c2cc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1 23507497 FZPCCNJMCBAEJW-ZDUSSCGKSA-N 425.435 5.519 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1ccc(C)cc1Br 24928509 FOQOFHLFUGUDTF-UHFFFAOYSA-N 434.384 5.559 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1 25277765 SHTMNMLGPZMWBN-ZRDIBKRKSA-N 437.496 5.649 0 40 IKAB CCO[P@](=O)(c1ccccc1)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 26962892 SGDZPTMIISDAHO-MRDQGFSESA-N 434.687 5.061 0 40 IKAB CC1=C[C@@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883136 ZNBRGKRSUQTAJM-LSQMVHIFSA-N 430.596 5.627 0 40 IKAB biogenic,in-vitro CCOc1ccc([C@H](C)NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 32707995 CYCCHYDOSPAISW-INIZCTEOSA-N 447.622 5.219 0 40 IKAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2o1 32727594 WVOBEKHTCMSLBN-XNTDXEJSSA-N 425.847 5.189 0 40 IKAB Cc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)C(C)C)cc1 32857493 RTFWZIAAXDQXCO-QHCPKHFHSA-N 433.577 5.075 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCCCC2)cc1 32969154 XBMWLVYFCQZXNG-MRXNPFEDSA-N 442.774 5.007 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(C)c2C)cc1OCc1cc(=O)n2cccc(C)c2n1 33067929 LECCNHZMCIRFJK-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1Cl 33732282 MYARURDSYLPVMO-UHFFFAOYSA-N 438.380 5.119 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)cc1 33864434 UDDSVDLMDZGQDR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCN(C)C4)c(C)c1 36622889 AQLQCSFDNSMSQC-UHFFFAOYSA-N 447.629 5.344 0 40 IKAB O=C(OCc1nnsc1Cl)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 39995747 XMTCGLVMZNFSDV-QBFSEMIESA-N 437.908 5.567 0 40 IKAB Cc1cccc(NC(=O)N[C@H](C)[C@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 57015954 KEBYHGNSWSGQQM-HYBUGGRVSA-N 434.609 5.130 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 59056602 RQHMBKMGMUQOLP-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 59268042 KDJMJVGSBUEQOI-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB CO[C@@H](C)c1nc(C)c(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)s1 89558989 GWUGRWXXTBCGDP-LBPRGKRZSA-N 425.535 5.394 0 40 IKAB CCCCCN1C(=O)[C@]2(c3ccccc31)c1[nH]c3ccccc3c1C[C@@H](C)N2C(=O)CC 95115739 RXMCCQKEPKHXNY-CLYVBNDRSA-N 429.564 5.132 0 40 IKAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 95480244 PMSKJKHKJAAQLS-QHCPKHFHSA-N 435.999 5.096 0 40 IKAB O=C(Nc1ccccc1NCCc1ccccc1)[C@@H](c1ccccc1)N1CCCCC1=O 96011770 DBHOXSXCGZSBAQ-AREMUKBSSA-N 427.548 5.034 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccncc5)cc34)cs2)cc1 96154491 XWVZAAWTWFXXCB-UHFFFAOYSA-N 426.501 5.252 0 40 IKAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2cccnc2)cc1Cl 96925532 JDZNDNUJWMYSBV-WQRHYEAKSA-N 441.965 5.482 0 40 IKAB CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118916638 CCORPVHYPHHRKB-LERCQJJSSA-N 442.728 8.350 0 40 IKAB COc1ccc(Br)c(C(=O)N2CCS[C@H](c3ccccc3Cl)CC2)c1 211146408 KFCJVHUBAFCONV-SFHVURJKSA-N 440.790 5.432 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 222501138 AJETTZXFSOQZIC-AREMUKBSSA-N 430.592 5.413 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 222631770 CQDVXTDWHGFQRT-KNMUDHKVSA-N 430.360 6.238 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222954091 ANUZZIGHGDWMEO-LEWJYISDSA-N 433.606 5.255 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1 223081106 ATQACORTIPIRJA-UHFFFAOYSA-N 430.523 6.014 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224049363 UVUVZNMUJAOBRL-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224054414 NOAAVWPYIIYTNU-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)c1 224229182 KYTCQFYPTJSQCG-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224273913 ZYMHTXCYVUCVCI-JOCHJYFZSA-N 442.968 5.046 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 224410861 YFJKQMHWQIKOSB-PKTZIBPZSA-N 447.560 6.142 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccc(CN2CCCCC2)cc1 224534722 BVAQJPGTEDWMAZ-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2)cc1COc1ccc(-c2ccccc2)cc1 224552916 OMVUEVBSSLUQJU-UHFFFAOYSA-N 437.539 6.892 0 40 IKAB S=C(NCCCNc1ccnc2cc(Cl)ccc12)Nc1ccc2sncc2c1 225214669 ZHSRCMPAISGXOQ-UHFFFAOYSA-N 427.986 5.287 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557296 ZCIMCRMQAMPNNI-KRWDZBQOSA-N 434.407 7.320 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1 225580106 QZMCENMQQGUGLA-UHFFFAOYSA-N 445.003 5.138 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 225602877 JRLOFRJABRKDFT-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610226 YSIZQCPGOWAVDF-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 225614102 BJWLIFULEHGXTP-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225644234 OZNMMPHZLVNLCT-AVRDEDQJSA-N 430.589 5.030 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OCC(C)C 225760966 GLZVIZFYGBLWRC-UHFFFAOYSA-N 427.516 5.488 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778259 LKEMUSLMAQPZCY-GOSISDBHSA-N 437.967 6.357 0 40 IKAB Cc1cc(-c2cccc(C(=O)O)c2)c2c(c1)[C@@H]1O[C@@H](C)[C@@H](c3ccccc3)C[C@@H]1C(C)(C)O2 257233177 GOCXXSHFDWSJOV-FKQCTJRUSA-N 442.555 6.781 0 40 IKAB COc1cc(Cl)cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@@H]4NC(=O)C(C)C)c1OC 257272841 NECDMQMDFOEADE-YCXAQNKWSA-N 435.992 5.012 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 408549082 WQWSCXAAIUUMMS-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)O)o1 408632055 IJELRLOSVXJUQL-JAIQZWGSSA-N 439.924 5.561 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1C 408673234 QMNWNKXFXBYZQO-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1 409197631 KTTSMWNCNMOZMA-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCc2ccccc2)C1=O 409215329 ZAZQOVWOOPEXDT-XMHGGMMESA-N 446.366 5.517 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 409344369 IZCJEWDEJSTKIN-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB C[C@@H](O)c1ccc(C2(CNC(=O)CCc3ccccc3Br)CCCC2)s1 585371250 QCVPWBCPBKFIAX-OAHLLOKOSA-N 436.415 5.125 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2cc1C 878772 LTEOIQWMZAOQEK-IBGZPJMESA-N 445.588 5.376 0 40 IKAB COc1cccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 884347 FUKUFBFQXBGCME-OALUTQOASA-N 430.430 5.113 0 40 IKAB CCCc1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 1260272 QQGVJTIXWFEIFA-UHFFFAOYSA-N 449.605 5.197 0 40 IKAB COc1ccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1 1327499 WEAGOXQMPNLYSR-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccccc1F 1336105 OOXZRJYWVVNIRS-HSZRJFAPSA-N 440.540 5.246 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccncc1 1336128 YKEZZFRNRDOZCW-RUZDIDTESA-N 447.604 5.217 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)c1ccco1 1382704 IHNNYJJMXQUMIF-OAQYLSRUSA-N 442.968 5.437 0 40 IKAB COC(=O)c1cc(Br)ccc1NC(=O)c1ccccc1CCc1ccccc1 1766760 IQFGVRZTAPDQPC-UHFFFAOYSA-N 438.321 5.273 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)C[C@@H]1C 1833132 HDQZETFNIWCCJR-CCLHPLFOSA-N 440.587 6.517 0 40 IKAB CCCCOC(=O)c1ccc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)cc1 2112780 WBZZOWIBLHLGLM-UHFFFAOYSA-N 447.531 5.294 0 40 IKAB biogenic COc1ccc(CCNC(=O)c2cc3c([nH]c4ccccc43)c(CCc3ccccc3)n2)cc1 2114545 QVQOUIICEATREP-UHFFFAOYSA-N 449.554 5.482 0 40 IKAB biogenic Clc1ccc(-c2csc3ncnc(N4CCN(c5ccccc5Cl)CC4)c23)cc1 2197381 XJGUTERMZXUJIB-UHFFFAOYSA-N 441.387 5.992 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)OCc3ccccc3)c3nc4ccccc4nc32)cc1Cl 2220387 XPDZBCMTYACEKP-UHFFFAOYSA-N 442.906 5.475 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)N(C)c3ccccc3)cc12 2256147 CYWVECSNFAVULR-UHFFFAOYSA-N 442.515 5.157 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)c1 2402307 OMLOYOOBNNKRIT-KRWDZBQOSA-N 448.636 6.501 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cc(C)cc(C)c4)ncnc32)cc1 2715278 DESBWZCAUGCOQE-UHFFFAOYSA-N 434.543 6.847 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 3205786 LKVNYKUDBGMUAX-UHFFFAOYSA-N 442.743 5.866 0 40 IKAB CCc1cc2c(SCC(=O)Nc3ccccc3C(=O)c3ccccc3)ncnc2s1 3229113 AMHOLUQDKLKXGZ-UHFFFAOYSA-N 433.558 5.216 0 40 IKAB O=C(COC(=O)Cc1ccc(Cl)cc1Cl)Nc1cccc(Oc2ccccc2)c1 3271604 AJGAOGGHEYAUTQ-UHFFFAOYSA-N 430.287 5.510 0 40 IKAB Cc1ccc2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)sc2c1 3409694 SURPDBXBPSEBGK-UHFFFAOYSA-N 428.492 5.849 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)[C@H]1COc2ccccc2O1 3655282 LGXUUZPFQFTSSO-HXUWFJFHSA-N 433.847 5.096 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 8343136 AUSIFOLHISRMCF-NRFANRHFSA-N 426.944 5.233 0 40 IKAB COc1ccc(NC(=O)c2cccc(NC(=O)COc3ccc4ccccc4c3)c2)cc1 8453382 KLTYWIAGJMJVGZ-UHFFFAOYSA-N 426.472 5.118 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1 8708071 HVXMEBHMXXRYJP-AREMUKBSSA-N 435.531 5.443 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)NC(c3ccccc3)c3ccccc3)c2Cl)cc1 8965880 DSXQFSJBKWQPTM-UHFFFAOYSA-N 429.951 5.721 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9170421 OSNJINLSYLLLIQ-UHFFFAOYSA-N 438.734 5.019 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 9191898 MWJWQMZBPVTJGS-QFIPXVFZSA-N 430.891 5.516 0 40 IKAB COc1cc(Br)c(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cc1OC 9414227 WCQFOUWKVPVYQO-UHFFFAOYSA-N 434.374 5.894 0 40 IKAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2coc3ccc(C)cc23)c1 9430859 WDOXAIFHVPAUES-UHFFFAOYSA-N 438.483 6.229 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc2c(Cl)cc(C(F)(F)F)cn12 9463110 PPLMDXGKYGIMPA-UHFFFAOYSA-N 429.851 5.295 0 40 IKAB CC1CCC(NC(=O)c2ccc3c(=O)n(-c4ccc(F)c(Cl)c4)c(=S)[nH]c3c2)CC1 9507658 ULIOQZKJPIVDOR-UHFFFAOYSA-N 445.947 5.149 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 9789284 XTPGOAQSEHKKHL-OAHLLOKOSA-N 445.548 5.083 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9805615 IHYHASZHSBSUCG-AFJIDDCJSA-N 432.567 7.350 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 9983928 HACHECDBDRDQQV-SFHVURJKSA-N 446.551 5.102 0 40 IKAB CC(=O)c1ccc(C(=O)N(Cc2ccccn2)c2nc3c(C)ccc(Cl)c3s2)cc1 10187697 GXFZXAXSJLJNGD-UHFFFAOYSA-N 435.936 5.703 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)Cc3nc4ccccc4s3)cccc2c1=O 10285351 CEMZATZWSZNYDG-UHFFFAOYSA-N 440.524 5.650 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10315297 AAIWWQAYPQXYFX-UHFFFAOYSA-N 436.577 5.481 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 10329562 JJSGYNSPRWCZRA-UHFFFAOYSA-N 436.577 5.238 0 40 IKAB Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)n(C[C@H]2CCCO2)c1C 10380754 XFBJAOIPRXHKBS-HSZRJFAPSA-N 435.593 5.004 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccn2c1C(=O)c1cccs1 12342114 ZADWDTXNWRPHOG-UHFFFAOYSA-N 430.316 5.373 0 40 IKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 12463080 UVNCRGNHBLFMIL-XMMPIXPASA-N 448.444 7.045 0 40 IKAB c1ccc(Cn2cc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)c3ccccc32)cc1 12547453 OUQAXSRGKNNKCD-LJAQVGFWSA-N 426.523 6.679 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 12679074 CLPZUAQAFNMKCQ-MRXNPFEDSA-N 446.601 6.128 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2cccs2)c1 12795002 GIBLTTDYNNUFHX-UHFFFAOYSA-N 448.569 5.493 0 40 IKAB O=C(O)c1cc(/C=C/c2cn(Cc3ccccc3)nc2-c2cccnc2)nc2ccccc12 13076367 LKFUXUUPDHALFM-OUKQBFOZSA-N 432.483 5.410 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 13109971 UTORIQWNEMFFDY-LJQANCHMSA-N 447.391 5.783 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@@H]2C1=O 13513647 DNRSHPPENRRNNQ-PMVMPFDFSA-N 432.907 5.008 0 40 IKAB CCCCCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 13946369 LDRKKQNVOUJCCS-UHFFFAOYSA-N 441.444 5.228 0 40 IKAB CC1CCN([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccs2)CC1 15859988 FLWNQQWABXADJB-QHCPKHFHSA-N 449.620 5.485 0 40 IKAB O=C(CCCSc1nc2c(c(C(F)(F)F)n1)CCCC2)NCc1ccccc1Cl 16778553 YAOLGKCKQOMBTJ-UHFFFAOYSA-N 443.922 5.216 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)cc2s1 17097747 YSJRGCALONAJHZ-UHFFFAOYSA-N 431.945 5.484 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17100984 KNPXCPSMBKPMPM-UHFFFAOYSA-N 436.964 7.048 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(N2C(=O)CCC2=O)cc1 17155599 CWUBJYFYHRHQBO-UHFFFAOYSA-N 446.315 5.023 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)no3)cc2N1 19520619 PKLDMBMOJGUOCY-RPVQJOFSSA-N 439.482 5.060 0 40 IKAB CCCCOc1cccc([C@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)c1 20672439 GWMUCMMHVPWRAZ-DEOSSOPVSA-N 433.552 5.847 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)Cc2c(Cl)cccc2Cl)sc2c1CCCC2 26110996 IXGSLEZFTXBFRM-UHFFFAOYSA-N 448.393 5.052 0 40 IKAB CC(C)(C)c1ccc(/C=c2/sc3nc([C@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024223 JPSWSTZSCDNWPX-YLJPPSQVSA-N 448.419 5.055 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2ccc(Cl)c(C)c2)c2c[nH]c3ccccc23)cc1 27746315 BMCZEVUAKQXAIU-JOCHJYFZSA-N 448.950 5.465 0 40 IKAB CC(C)(C)c1nc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)no1 28006425 OCDHOJPDAURKOJ-UHFFFAOYSA-N 425.945 5.561 0 40 IKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1ccc(F)cc1 28535297 ZPVRMRQPPIKJRJ-UHFFFAOYSA-N 441.384 5.322 0 40 IKAB C=Cc1ccc(CSc2nc3cc(C(=O)NCC(C)C)ccc3c(=O)n2CC(C)C)cc1 33077002 OWEUWKFTWAEBBL-UHFFFAOYSA-N 449.620 5.374 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1ccc(Cl)cc1 35671789 YTHOVXWZNIREFA-UHFFFAOYSA-N 433.920 5.968 0 40 IKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccc(F)cc4F)n(C)n3)n2)cc1 35683057 KJOQLGVDFNHBOV-UHFFFAOYSA-N 440.475 5.140 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 38756455 RWXJEMOHNLUBTR-SFHVURJKSA-N 447.600 6.343 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 41076886 DSSCEZSYKYGROS-UHFFFAOYSA-N 435.980 6.031 0 40 IKAB CC[C@H](NC(=O)CSc1ncnc2sc(C)c(C)c12)c1nc(-c2ccccc2)c[nH]1 48291131 QUWWFEPVTXZBDB-INIZCTEOSA-N 437.594 5.058 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@@H]3C2=O)cc1 59433364 OQPPFTCYHJDUAM-OKHMJZBSSA-N 437.539 5.436 0 40 IKAB Fc1ccc(-c2nnc(C3CCN(Cc4ccc(OCc5ccccc5)cc4)CC3)o2)cc1 70641655 RVRTVMPVTXWPFC-UHFFFAOYSA-N 443.522 5.834 0 40 IKAB C[C@@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 89905515 XOQIBEZUWPDJNL-NQIIRXRSSA-N 447.604 5.036 0 40 IKAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccccc2)C=C(c2ccc(Cl)cc2)N3)cc1 101016694 WUWOYMKJWSZVAM-QFIPXVFZSA-N 441.922 5.548 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(OC)c1 102877818 HBTFKSGKHVPODJ-MHZLTWQESA-N 446.591 7.068 0 40 IKAB O=C(Nc1ccc(C(=O)N2[C@@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)cc1)c1ccccc1 139066625 FGBLBUMURGNXGV-VGNMNXCYSA-N 446.506 5.388 0 40 IKAB Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)sc2nc(-c3ccccc3)ccc12 215735487 VFLQXDQHBROVCU-UHFFFAOYSA-N 429.423 5.696 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 222602397 NSYCUQVDZMXGNH-QFIPXVFZSA-N 445.003 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 223029261 OLJHIGUQVRWTQI-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 223093279 VVZRPFUQSRYLKY-RPBOFIJWSA-N 436.669 6.310 0 40 IKAB Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(Cl)cc2)C(=O)C(C)C)cc1 223417833 IBXDDWUTFGPFCW-VWLOTQADSA-N 448.994 5.691 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1C 224002988 XCFQTLJUVLCQEI-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1N(C)S(=O)(=O)c1ccccc1 224190734 BECINPYQAQHUIV-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406669 CUEAYQGFANBTRC-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 224459477 KWDXZPMYNRAYQF-DHIUTWEWSA-N 445.979 5.157 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224818681 UCXIKQWBGNOWSD-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225333771 MATWGMNGCCMWBM-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C 225341505 ODWYUTDEIUBPJD-RPWUZVMVSA-N 434.609 5.484 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225558380 DFKNDMJOKDXPFS-OFNKIYASSA-N 426.626 5.199 0 40 IKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1C(C)C 225659438 LITHCSAREJTLID-LJQANCHMSA-N 430.548 5.870 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663305 VOAURTKTVRYFMO-ZUVQJFRASA-N 430.633 5.357 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCC(C)C 225750880 MFWFVFWFRNZBDZ-UHFFFAOYSA-N 443.971 6.002 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2cccnc12 225870497 ZNHRLNSXDFATGG-UHFFFAOYSA-N 436.983 6.908 0 40 IKAB O=C(C[C@]1(COc2ccccc2)CCCN(C(=O)CCC2CCCC2)C1)N1CCCCC1 257225135 FFABWRMOGINCTN-HHHXNRCGSA-N 440.628 5.047 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 408558288 QXMHOPRUPRGVKD-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408694005 GYPCKMRGQZNKCA-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2)cc1 408697425 HIFOOKFTBHFCBQ-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 408997429 OOCAVBVQJSTIRO-NHZXSGKNSA-N 442.309 5.173 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 409102419 ZMLBUYHCCURHSD-MTJSOVHGSA-N 428.340 6.658 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)cc2)CC1 409230457 DOMHPTDVQAKHBZ-UHFFFAOYSA-N 437.392 5.418 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409409640 JCBYECNTSDYXPS-RUZDIDTESA-N 434.561 5.431 0 40 IKAB CCCc1cc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)no1 643553380 POYYMQKEAXCANO-UHFFFAOYSA-N 439.600 5.613 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 683125 PCWZPFHNDZKNPD-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 998329 DBIWNYDFUXHSHY-UHFFFAOYSA-N 443.956 5.375 0 40 IKAB Cc1ccc(N(C(=O)c2c(C)noc2C)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1353825 BFDTUTLTFGZGED-VWLOTQADSA-N 445.563 5.437 0 40 IKAB O=C1O[C@@H]2C=CC=C[C@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 1452986 VPISIZKQRYTQNU-IFXJQAMLSA-N 428.435 5.056 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)CSc3nc4ccccc4s3)s2)cc1Cl 1454042 PDXXOEWOMFAFII-UHFFFAOYSA-N 446.022 6.036 0 40 IKAB CCc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 1773459 RQMUVEKXOKDUCO-UHFFFAOYSA-N 445.382 5.933 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4Cl)c3)nc2c1 1838090 URYLCRGFOLKJFP-CQSZACIVSA-N 439.342 7.567 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccccc4)c3)nc2c1 1860941 DNYPEEKODQHKSR-ZGUWOUCSSA-N 430.935 7.314 0 40 IKAB CCOP(=O)(Cc1ccc2c(c1)C=C[C@]1(O2)N(C)c2ccccc2C1(C)C)OCC 1900840 WROUGGBQUABEBQ-XMMPIXPASA-N 427.481 5.982 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2C)cc1 2200142 KKUKXXKZCMKCNT-UHFFFAOYSA-N 428.532 5.548 0 40 IKAB COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 2247359 FDNCQVNUFFBWQC-BJKOFHAPSA-N 442.906 5.153 0 40 IKAB CC(C)c1ccc2oc(-c3cc(NC(=O)c4cc5ccccc5o4)ccc3Cl)nc2c1 2319976 CYJATCZIMOVBLD-UHFFFAOYSA-N 430.891 7.270 0 40 IKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(F)cc1 3176851 NXCSLJOXRXSUEO-UHFFFAOYSA-N 432.676 5.725 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 3224795 IKPXKNJXHNQJSJ-UHFFFAOYSA-N 439.682 5.406 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3263034 HALWWHWRJFVMAF-LLVKDONJSA-N 440.878 5.274 0 40 IKAB O=C(COC(=O)CCN1c2ccccc2Sc2ccccc21)NC1CCCCCCC1 3302501 KMCWKSQNSJDJLK-UHFFFAOYSA-N 438.593 5.452 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1)N(CC(C)C)C(=O)c1ccccc1F 3764835 HZVJVTDUFAGSAO-SANMLTNESA-N 446.566 6.175 0 40 IKAB COc1ccc(C2(c3ccc(OC)cc3)c3ccccc3C(=O)c3ccc(OC)cc32)cc1 4747914 AGGLRMBLRNTBQD-UHFFFAOYSA-N 436.507 5.640 0 40 IKAB COc1ccc(-c2nc(SCC(=O)c3ccccc3)c3c4c(sc3n2)CCCC4)cc1 7060406 OUIVTEXZFNCVOI-UHFFFAOYSA-N 446.597 6.221 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4cccs4)C[C@@H]3c3cccs3)sc2n1 8450709 IUWJTIWQRZCDKZ-CQSZACIVSA-N 438.603 5.610 0 40 IKAB Cc1cc(C(=O)CSc2nc(-c3ccccc3F)n[nH]2)c(C)n1Cc1cccs1 8671363 KHILQICFXQECDF-UHFFFAOYSA-N 426.542 5.114 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)c1 8752400 NZHSENJLTVGDGX-QHCPKHFHSA-N 437.587 6.147 0 40 IKAB Cc1coc2c1c(C)cc1oc(=O)c(CC(=O)N[C@@H](C)Cc3c[nH]c4ccccc34)c(C)c12 8879909 MQYLIHOPRQVRBS-INIZCTEOSA-N 442.515 5.236 0 40 IKAB biogenic Cc1cc(C)c(S(=O)(=O)c2ccc(Cl)cc2)c(Oc2ccc(C(C)(C)C)cc2)n1 8885114 HLAJGCAEBLCTLN-UHFFFAOYSA-N 429.969 6.274 0 40 IKAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8965999 BAPUPDVGHSPLIY-MUUNZHRXSA-N 434.495 5.157 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 9041762 XSZDHVSPNKKBEJ-XTEPFMGCSA-N 442.559 6.507 0 40 IKAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)C[C@H](c2ccco2)C4)cc1OC 9290235 YAEWMUUEUCKFPD-MRXNPFEDSA-N 431.492 5.043 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1S(=O)(=O)c1ccc(C)cc1 9404349 ACLQNVLCZDOYTJ-JOCHJYFZSA-N 440.952 5.197 0 40 IKAB O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2c(c1)OCCO2 10112678 GVTDOUHJZKQIOR-UHFFFAOYSA-N 447.965 5.204 0 40 IKAB CCC(=O)N1c2ccc(C)cc2[C@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@@H]1C 10383698 AGMNXXCMNDHQKT-HFZDXXHNSA-N 441.575 6.618 0 40 IKAB CCc1cc(-c2n[nH]c(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccc(Cl)cc1 11867301 MGOCXJHMCXMENN-UHFFFAOYSA-N 440.956 5.591 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3cc(OC)ccc3c2Cl)sc2c1CCCC2 12040200 UUZQFHSCHQVDED-UHFFFAOYSA-N 435.954 5.543 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 12192882 QCAJQTVUTNCVIG-CUBQBAPOSA-N 442.559 6.507 0 40 IKAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)[nH]c2c1 12484060 SAEVUVYKTZRBIT-SECBINFHSA-N 444.771 6.041 0 40 IKAB CCc1ccc2nc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1 12565620 KFNACFRDFOWPSL-INIZCTEOSA-N 427.957 5.003 0 40 IKAB CC(C)(C)c1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12658482 JZAMHYSJSLAJPU-UHFFFAOYSA-N 426.610 7.792 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)NC23CC4CC(CC(C4)C2)C3)cs1)c1ccccc1F 12998596 BEKYROFQCBOZEN-VOTSOKGWSA-N 439.556 5.065 0 40 IKAB CCOc1ccc(Oc2ccc(NS(=O)(=O)c3cc(C(=O)O)ccc3Cl)cc2)cc1 13028008 DGBQGAUCKZUSGL-UHFFFAOYSA-N 447.896 5.030 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1cccnc1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 13561866 HZTURXGBUQKPBZ-HSZRJFAPSA-N 446.986 5.268 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Br)cc1 13602419 ZMCDCBHZASMZBG-UHFFFAOYSA-N 425.307 5.684 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1Cl 14271150 CJNPKKQNHJQNHS-UHFFFAOYSA-N 448.169 5.281 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cccc2ccccc12 14271991 FQZSBTZZCKJYNL-UHFFFAOYSA-N 440.524 6.143 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 14272704 PHRNXNWHAPFPLJ-UHFFFAOYSA-N 446.554 6.062 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2ccccc2)c1 17095922 HICBAGTYZKRENL-UHFFFAOYSA-N 428.532 6.004 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 17097838 CANDIYDEDRUYSR-UHFFFAOYSA-N 432.343 5.116 0 40 IKAB NC(=O)c1ccc(CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)cc1 17230630 IDUZJJQHQGXKHO-UHFFFAOYSA-N 438.915 5.118 0 40 IKAB O=C(N1CCC(c2cc3nc(C(F)(F)F)ccc3[nH]2)CC1)C1(c2ccc(F)cc2)CC1 19332710 IUKLKQAXDNUXBB-UHFFFAOYSA-N 431.433 5.159 0 40 IKAB COc1ccccc1CN1CCC[C@@](Cc2ccccc2-c2ccccc2OC)(C(=O)O)C1 19570192 WZELOOSITYWRTI-NDEPHWFRSA-N 445.559 5.280 0 40 IKAB COc1ccccc1-c1ccccc1CC1(C(=O)NCc2ccc(F)cc2)CCOCC1 19571723 AXZLDYBSZPHWOB-UHFFFAOYSA-N 433.523 5.157 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 21124225 DINQAIQKLRZIDE-UHFFFAOYSA-N 428.282 5.527 0 40 IKAB O=C(Cc1noc2ccccc12)Nc1nc(COc2ccc(Cl)cc2Cl)cs1 26132418 NOEMETWJBQKLOX-UHFFFAOYSA-N 434.304 5.351 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 27583204 MDHBJZCFSYVYRK-HSZRJFAPSA-N 434.580 5.714 0 40 IKAB O[C@@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccc(Cl)cc1Cl 28580912 PTLJJJWABHHJIE-GOSISDBHSA-N 440.754 5.682 0 40 IKAB COc1cc(C(=O)N2CC[C@H](C)Sc3ccccc32)ccc1OCc1csc(C)n1 32769203 JGQCRIWPWYVZEZ-HNNXBMFYSA-N 440.590 5.570 0 40 IKAB O=c1[nH]c(SCc2cccc(F)c2)nc2c1sc(=S)n2-c1ccc(Cl)cc1 32948330 CDIDQQDTECPNLI-UHFFFAOYSA-N 435.958 5.590 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc2ccccc12 33751655 JWMZABHGASYSSD-UHFFFAOYSA-N 426.859 5.546 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c(C)c1 37170590 SRFSWTHEYUURMI-OALUTQOASA-N 433.577 5.026 0 40 IKAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 38836691 FRGJSMUDFMYGBJ-UHFFFAOYSA-N 437.436 5.422 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2ccccc2Br)N1CCc1ccccc1 40485584 LRSXACCVRAEELU-JOCHJYFZSA-N 434.333 5.544 0 40 IKAB COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)cc1Cl 64471974 KWUBTGZTHBCGKC-UHFFFAOYSA-N 429.879 5.024 0 40 IKAB O=C1O[C@@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 67665211 QARHRYVEXSEWAF-PVBLUSGHSA-N 425.915 6.903 0 40 IKAB in-vitro O=C(Nc1cc(Cl)ccc1Cl)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21 72232604 XJAUPAVSHOPCHG-CWVNLOTRSA-N 429.351 6.407 0 40 IKAB Cc1nc([C@H]2CCCN2Cc2cn(C(C)C)c3cc(F)ccc23)ncc1C(=O)N1CCCC1 72345436 DZOMUALWVSLHIB-HSZRJFAPSA-N 449.574 5.033 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)s1 72376045 RTMCBCOKGAFNMD-LJQANCHMSA-N 430.581 5.167 0 40 IKAB COc1ccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 96324254 ISFJNXLFTFEMRQ-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 100429657 DYWAUUYYCXLNMX-QLXKLKPCSA-N 446.934 6.893 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 100429670 DYWAUUYYCXLNMX-WGDIFIGCSA-N 446.934 6.893 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3)n(-c3ccc(Cl)cc3)nc(C)c2=O)cc1 101265027 UXCYMCODVBVDEB-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)ccc1OCC(C)C 106698120 HAHKJTOMSOHLTO-MTJSOVHGSA-N 429.513 5.496 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3)c3ccccc3n2)cc1 139135331 QDFFDAVMJAGJAN-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](Cc3nc(-c4ccsc4)no3)C2)cc1 207015967 VPFJSVTVUQOFLN-GOSISDBHSA-N 441.622 5.322 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219344132 UMWGFZMBEDYKEG-HXUWFJFHSA-N 435.911 5.359 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 219767402 HPJREZRYVYMMCI-UHFFFAOYSA-N 427.931 6.438 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695581 DHGNCJBGDGALFJ-SFHVURJKSA-N 443.396 5.048 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC(C)C 223129660 PYHKMRFLSNDWFQ-HSZRJFAPSA-N 429.004 5.242 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 223492979 ICJJYYMFDYPCQE-ZEQRLZLVSA-N 431.609 5.183 0 40 IKAB COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 223554723 QZAUNPLGORBANG-SANMLTNESA-N 444.575 5.046 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224149290 AOFDPBSCPPWTNN-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224315647 OJEQAZISWUHJHU-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224384674 OUUYMTWCNVHLBT-FTJBHMTQSA-N 438.600 6.173 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(Cl)cc1 224501667 XZQNGMWSXVVLJL-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1OC 224582895 UUJUGFONKCEDTP-FQEVSTJZSA-N 433.548 5.424 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 225056173 BANIKPKXPOZHCF-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225091704 SCIVPJSZVYVJHP-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)c(C)c1 225272762 DTHWZUVGFAWRMD-LJQANCHMSA-N 448.401 5.710 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 225578932 HAECEYDVBLMFBF-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 408602908 BKBVFPHIUGRYEG-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 408644451 FVEPQVWRSWSNRB-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB CCOc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 408647614 SVEYUBIPEJOOBT-UHFFFAOYSA-N 426.472 5.096 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409016807 VVDXKYNKEWPWGM-MDBUFAAASA-N 436.360 6.407 0 40 IKAB COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409128738 GPXVGXGJNWXIJK-FYJGNVAPSA-N 440.952 5.334 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cnn1C(C)(C)C 500974878 VBYWKODXVJXVEO-UHFFFAOYSA-N 444.457 5.470 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@@H](C(C)C)O[C@@H]2C(C)C 524733559 WCOFHAMHJJNIMX-AZUAARDMSA-N 445.581 5.480 0 40 IKAB CC(C)c1ccc([C@@H]2CC(=O)c3c(nc4c(cnn4-c4ccc(Cl)cc4)c3N)C2)cc1 618256909 NPBWRSNWHVSGOQ-KRWDZBQOSA-N 430.939 5.692 0 40 IKAB Cc1c(C(=O)Nc2ccccc2)sc2ncn(Cc3cccc4ccccc34)c(=O)c12 791217 UMMWBYAAIKYUCR-UHFFFAOYSA-N 425.513 5.220 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 901182 GHNKJPCRIUOKAD-AWEZNQCLSA-N 446.498 5.348 0 40 IKAB Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2CC(=O)c1ccc(F)cc1 930341 CEVGWWLFKOIEEO-UHFFFAOYSA-N 440.927 5.224 0 40 IKAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2cc(Cl)cc(Cl)c2)C1=O 938499 NFMCEZBRSJYNBP-UHFFFAOYSA-N 432.090 5.091 0 40 IKAB NC(=O)c1cc(OCc2ccccc2)c(OCc2ccccc2)c(OCc2ccccc2)c1 1436699 LMODUKIJYUJIPJ-UHFFFAOYSA-N 439.511 5.523 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccco4)ncnc32)c1 1447549 HNGMJBFXWQCARD-UHFFFAOYSA-N 434.421 6.311 0 40 IKAB Cc1ccc(-n2c(SCCC(C)C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1 1896055 PGZLJIDMCKXFJE-UHFFFAOYSA-N 444.644 6.714 0 40 IKAB biogenic Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)cc4)c3)nc2c1 2071740 SEYYBSYGXACSAN-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB CCCSc1nnc2c(n1)O[C@H](c1ccsc1)Nc1ccc(Br)cc1-2 2087218 BFVLKJKYNXXOQX-OAHLLOKOSA-N 435.372 5.368 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)c2C(=O)OC)C1 2092795 GPUFBDGDSHCGJK-NZSAHSFTSA-N 425.594 5.818 0 40 IKAB O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc2ccccc2c1 2297329 AQMRFRIABRCJBE-RUZDIDTESA-N 430.507 5.890 0 40 IKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1 2434630 WZJVSRYULGNIMA-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2440323 UNQVLUKGCSZERY-SFHVURJKSA-N 441.579 5.423 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1cccc(Cl)c1 2454277 GAVXYSORAVFXPS-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB C[C@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 2715088 NWARYGWLCPPUFE-KRWDZBQOSA-N 447.380 6.086 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)s2)cc1Cl 2727579 VXOIMDLRAYWZKQ-CQSZACIVSA-N 449.848 5.617 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)NC1CCCCCC1 3285571 LKDFXSNIXCKGEU-UHFFFAOYSA-N 442.535 5.144 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(Nc2ccccc2)c2ccccc2n1 3340105 UANCBNMKKNHNOQ-KRWDZBQOSA-N 426.545 5.443 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3355744 YUQKXCUZFBOEDX-QMMMGPOBSA-N 447.800 5.623 0 40 IKAB COc1ccc(CN(Cc2ccccc2)C(=O)Nc2cccc(C(F)(F)F)c2)cc1OC 4131054 NKZFFWPNHRYRQW-UHFFFAOYSA-N 444.453 5.957 0 40 IKAB c1ccc(COc2ccc([C@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)cc2)cc1 8397606 VDUBVYWQKRFDKU-LMSSTIIKSA-N 432.523 6.508 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@H]2[C@@H]1c1ccc(Cl)cc1 8453259 VPEICTQDOUWGTK-GGAORHGYSA-N 436.342 6.549 0 40 IKAB O=C(Nc1ccccc1N1CCN(c2ccc(F)cc2)CC1)C12CC3CC(CC(C3)C1)C2 8678302 ROURGIHXNPOSRK-UHFFFAOYSA-N 433.571 5.307 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 8693949 ITAUVHRNEHROPH-GMKDEDGOSA-N 429.470 5.797 0 40 IKAB O=[S@](Cc1ccc(Cl)cc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 8733520 SSTUNBWCHUQWAS-MHZLTWQESA-N 439.791 5.832 0 40 IKAB CCCCCC1CCC(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)CC1 8782228 GZGUWIGYJKEZOW-UHFFFAOYSA-N 435.633 7.495 0 40 IKAB Cc1ccc(-c2nn(CN3CC[C@H](c4ccccc4)C3)c(=S)n2-c2ccccc2)cc1 8815707 QRACEEYNLCOODE-QHCPKHFHSA-N 426.589 5.826 0 40 IKAB CCCn1c(SCc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 8857052 IOSATAMHRDAYJX-UHFFFAOYSA-N 440.656 8.217 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H]2CCCC[C@H]12 9059395 QANJKHRCIWLGFM-MAWREPJSSA-N 446.517 5.584 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)oc3c(C)cccc3c2=O)cc1OC 9130095 JCHAICSULBOGFG-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4C)cc3O)n[nH]c2C)cc1 9187758 KDXBYASPGSSBIO-UHFFFAOYSA-N 444.487 5.557 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9255866 MPWMCFBVGPFGSU-CYBMUJFWSA-N 436.562 5.267 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 9280904 VVWSNHNUGBQQRK-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB Clc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9292521 HQRPJHDTNALSAM-CTNGQTDRSA-N 438.756 6.599 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 9464532 JQKGTODLJHFVTC-QWRGUYRKSA-N 440.327 5.541 0 40 IKAB CCNc1cc(C)nc(Nc2ccc(NC(=O)c3ccc(OCC)c(OCC)c3)cc2)n1 9573285 DJLQZDDAVXZROJ-UHFFFAOYSA-N 435.528 5.010 0 40 IKAB COc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1ccc(C)cc1 9805339 FKSUJIBMRVYTBN-WSDLNYQXSA-N 447.918 5.889 0 40 IKAB CCCc1cc(O)nc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)n1 11443602 XDSMJZZSDSPRHS-JTQLQIEISA-N 430.580 5.015 0 40 IKAB CCN1C(=O)[C@@]2(c3ccccc31)c1ccc3ccccc3c1Oc1ccc3ccccc3c12 12412033 HAZRONPSIPECCG-PMERELPUSA-N 427.503 6.800 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 12892198 PMYDJYAFKHFCIZ-FQEVSTJZSA-N 438.524 5.017 0 40 IKAB Cc1cc(-c2cc(C(=O)N[C@@H]3CCOc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 12901526 ZSHQXGPYTDKMIT-OAQYLSRUSA-N 430.508 5.143 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1ccco1 13025691 MTUFMKIVAWGBJJ-QHCPKHFHSA-N 438.474 5.000 0 40 IKAB CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CC[C@H](C)C4)s1 13065302 KDJFDMAQFSPNGK-NSHDSACASA-N 447.655 5.084 0 40 IKAB O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)N(C1CCCCC1)C1CCCCC1 13086536 NYXAMXPYHMGVEW-UHFFFAOYSA-N 448.636 6.211 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13128848 ARYIUILBXFTULM-UHFFFAOYSA-N 446.942 5.071 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)NCCc3ccccc3)c2c1 13283342 IEJCEIOBYFTHAP-UHFFFAOYSA-N 442.632 5.342 0 40 IKAB O=P1(Nc2ccccc2C(F)(F)F)C=C(c2ccccc2)OC(c2ccccc2)=C1 13304834 CTCMTHKNQFNDSI-UHFFFAOYSA-N 427.362 7.423 0 40 IKAB Fc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1Br 13534038 HQIAOJVLLSYFCU-UHFFFAOYSA-N 427.704 6.966 0 40 IKAB CC(=O)c1ccc(N2CCN(C(=S)Nc3ccc(Oc4ccccc4)cc3)CC2)cc1 13688091 LYDHWOMFCGWYGC-UHFFFAOYSA-N 431.561 5.201 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 14070094 ORJTYSHEZUYEKA-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 14272972 VJLJQMFLPWWZBH-UHFFFAOYSA-N 445.527 6.922 0 40 IKAB COc1cc(NC(=O)COc2cccc3ccccc23)ccc1NC(=O)c1cccs1 17097957 XLCWSZHCSGWXFB-UHFFFAOYSA-N 432.501 5.180 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 17099267 KQPDPYPVELJHAZ-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c(Cl)c1 17099835 BTONJYURUXJSPR-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CC(C)c1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccncc2)cc1 19453278 VLYYCYJHHNVRDS-GSDHBNRESA-N 445.632 5.397 0 40 IKAB CCN(C(=O)c1snnc1C)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712016 FTEUOQASKOIEEE-LEWJYISDSA-N 443.519 5.174 0 40 IKAB Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 19738747 ZWGUCVYAQBWNRD-HSZRJFAPSA-N 438.584 5.071 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)[C@@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 20609992 UGSORUGWSDSTKM-CQSZACIVSA-N 441.318 5.442 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1OC 21005573 YYOOPXDUIXHYFF-DEOSSOPVSA-N 425.488 5.034 0 40 IKAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3ccccc23)CC1 21576556 LRNYRDNSTRYMJY-UHFFFAOYSA-N 435.955 5.194 0 40 IKAB COc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 21867067 YMKDXFRLJURAQM-CYBMUJFWSA-N 441.603 5.995 0 40 IKAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 22076777 PVSUCXKXPHDKSM-UHFFFAOYSA-N 429.919 5.755 0 40 IKAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@H](C)C[C@@H](C)C3)c(O)n2n1 22626527 WUEJPIZHKVWRIN-UVWXRNBGSA-N 425.385 5.179 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1 22749871 JXCUJAQFOMGOEZ-HSZRJFAPSA-N 449.913 5.311 0 40 IKAB Cc1ccc(N2C(=O)C(O)=C(c3ccc4ccccc4n3)[C@H]2c2ccc(Cl)cc2)cc1 23409430 XNCWSBKWLQHIHG-XMMPIXPASA-N 426.903 6.254 0 40 IKAB CCOc1ccc(-n2c(SCc3nc(CC)no3)nnc2-c2ccccc2Cl)cc1 25056918 JQYFKXBCOGLUJG-UHFFFAOYSA-N 441.944 5.224 0 40 IKAB O=C(c1ccccc1)c1c(NCc2ccc(Cl)c(Cl)c2)ccnc1C(F)(F)F 27062613 MGXGHTXLGPHBBH-UHFFFAOYSA-N 425.237 6.250 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)NC1c2ccccc2-c2ccccc21 29379913 WNWNSSVLAUNVOM-UHFFFAOYSA-N 432.936 5.103 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 30865624 CBPPNUNDZAUVFS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)C(c1ccccc1)c1ccccc1 31380652 SGOWLKCODAIXHA-GOSISDBHSA-N 444.556 5.852 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)Cn1nc(-c2cccs2)c2ccccc2c1=O 31732571 POVYVGRFVAQKHG-UHFFFAOYSA-N 429.467 5.233 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 33404271 FCAMQEAZQNTNOR-ZDUSSCGKSA-N 435.380 5.388 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1C 34783096 DJOYRLBCLJOQFF-VJGNERBWSA-N 448.522 5.508 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)c1 38536798 PYRBHMRBMQUEFS-UHFFFAOYSA-N 447.560 5.964 0 40 IKAB Cc1noc(C2CCN([C@@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)n1 40156396 GQRFPWGYSYVYKG-HXUWFJFHSA-N 445.350 5.244 0 40 IKAB CCOc1ccccc1CNC(=O)c1cc(-c2sc(-c3cccc(C)c3)nc2C)n[nH]1 49002328 IOQFGQQRPOOINB-UHFFFAOYSA-N 432.549 5.146 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3n3c(C(C)C)nnc23)cc1 49421781 KTFCSELDFDDNMO-UHFFFAOYSA-N 433.581 5.474 0 40 IKAB CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(F)cc4)cc3)cn2)cc1 49421922 BFHVVPIWAFWOTP-UHFFFAOYSA-N 442.494 5.138 0 40 IKAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccc(NC(=O)c2cccs2)cc1 60012714 BLFRBYNXGVSWCQ-CQSZACIVSA-N 448.466 5.217 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4ccccc4OC)no3)c3ccccc3c2=O)cc1 67245213 URBGCVSYUYMJHU-UHFFFAOYSA-N 439.471 5.115 0 40 IKAB CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 72341091 DIMZKUNJWVMYLH-OAHLLOKOSA-N 448.464 5.205 0 40 IKAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349677 KYRKARZBHSKZSP-OAQYLSRUSA-N 439.559 5.111 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccccc2OCc2ccccc2Cl)S1 85411778 GJTHFZUCXBAZTR-HXUWFJFHSA-N 427.957 5.876 0 40 IKAB O=[S@@](CCSc1nnc2sc3ccccc3n12)c1cc(Cl)ccc1Cl 95357395 FURCZASSDFJYNB-RUZDIDTESA-N 428.391 5.151 0 40 IKAB CC(C)(C)c1ccc([C@@H]2C3=C(O)c4ccccc4C3=Nc3ccccc3S2(=O)=O)cc1 102531061 BPRNTYSLLNTUKX-RUZDIDTESA-N 429.541 5.916 0 40 IKAB Cc1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)ccc1NS(=O)(=O)c1ccccc1 222943689 KTUTXIOWYPEGIW-LJQANCHMSA-N 448.588 5.166 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 222955037 ISKNCLMOKHKGDL-GBXCKJPGSA-N 430.548 5.591 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222955584 PLKPEZKBCVZJJR-RTWAWAEBSA-N 428.964 5.437 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCC2 223224859 ASHXNSZMGWXFLS-INIZCTEOSA-N 431.407 5.572 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 223319723 NROLEWQYJSTHOJ-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223393366 ANFUKHOEZRVWKF-JOCHJYFZSA-N 445.003 5.003 0 40 IKAB Cc1nc(NC(=S)NCc2ccc(Cl)cc2)c(Br)cc1Br 223928524 PDQPHGTUCJYXGI-UHFFFAOYSA-N 449.599 5.055 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224196647 ILJHSEJUWHCCNW-DQEYMECFSA-N 440.572 5.366 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)c1 224246237 XKAWXCJZRFWATK-DHIUTWEWSA-N 445.979 5.406 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224361806 OEVQBYINRZNDQK-UHFFFAOYSA-N 449.359 5.461 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224969043 UVQUMWFCYJKQNS-UHFFFAOYSA-N 429.967 5.320 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225103833 OMGKIVGWBKISMA-DEOSSOPVSA-N 440.653 5.179 0 40 IKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F 225955418 CZKIORKQVZOCSB-UHFFFAOYSA-N 441.877 5.835 0 40 IKAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)CC1 257208968 BOICJRSLPTVTEE-QAQDUYKDSA-N 442.485 5.503 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCC2)CC1 257228710 FUXXTQRRMBVFTK-UHFFFAOYSA-N 432.608 5.173 0 40 IKAB CCCCCC[C@@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 408975979 OFWDWHJBJGBDKX-CXJVOSNZSA-N 436.577 5.203 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408978495 MLYXSOKVALTHET-UHFFFAOYSA-N 448.555 5.871 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409016809 VVDXKYNKEWPWGM-OTGIAGGSSA-N 436.360 6.407 0 40 IKAB CCOc1c(Br)cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409101714 QRYFXJFHGHNKKW-MLPAPPSSSA-N 442.231 5.368 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccncc2)cc1 409107742 UFTHONWCMGCVAX-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409109575 HMYPBUYHBWWZIP-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409116464 NWSZEOWOYOREET-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccccc1 409241381 SEMVNKLNXLEJRO-HZHRSRAPSA-N 442.515 5.066 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409266275 XLLTVESKYRSLEI-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cn1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)c2ccccc21 409342537 GNESYZCDWCKCSX-LPYMAVHISA-N 441.512 5.007 0 40 IKAB O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1ccc(Br)cc1 675399 XCOQWTNPSAMKMA-UHFFFAOYSA-N 435.321 5.393 0 40 IKAB CC[C@H](CO)NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 707004 BXSIGACMNDJOKU-RPBOFIJWSA-N 442.603 5.314 0 40 IKAB COc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2-c2ccc(C)cc2)cc1 906707 OBIAJCCFFQVZPA-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C)cc1C)c1ccccc12 944083 FIXMLSJXUQWBBA-UHFFFAOYSA-N 437.517 5.489 0 40 IKAB O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1 944526 DGFHQAGLLSHNBR-UHFFFAOYSA-N 449.503 5.486 0 40 IKAB COC(=O)c1c(NC(=O)c2cc3ccccc3c(=O)o2)sc2c1CC[C@@H](C(C)(C)C)C2 995002 DLABSXUPCLYJJA-CQSZACIVSA-N 439.533 5.044 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccccc2Cl)cc1Cl 1332328 UZPQKRYKGJWDKS-UHFFFAOYSA-N 445.371 6.285 0 40 IKAB COc1ccc(C(=O)N(CCc2cccc(C)c2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1346860 YGEYAJWYJZCMEI-UHFFFAOYSA-N 440.543 5.039 0 40 IKAB Cc1ccccc1NC(=O)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359989 IRNBDXXTMSFTLU-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB O=CNc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccc(F)cc2)cs1 1405018 JSJPLUJPLKINKM-UHFFFAOYSA-N 443.301 5.133 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@@H]3CCC1 1423349 FYEJBHLFNVNLCY-HXUWFJFHSA-N 434.483 5.050 0 40 IKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(Br)cc1 1912366 ZFFJMPMVQYWMRG-UHFFFAOYSA-N 439.231 5.936 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cc1 2079501 FTYNLIKAXWQPPJ-OAQYLSRUSA-N 437.539 6.564 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)c(C)c2oc1=O 2095250 CTXQAPNFIGYFJA-UHFFFAOYSA-N 449.330 5.791 0 40 IKAB biogenic Clc1cccc(SCc2nc3ccccc3nc2CSc2cccc(Cl)c2)c1 2171283 WMFMWEJWAMMZDP-UHFFFAOYSA-N 443.424 7.521 0 40 IKAB COc1ccc(Cl)cc1NP(=O)(Oc1ccccc1F)Oc1ccccc1F 2229507 LACWBKBYWYVIOW-UHFFFAOYSA-N 425.755 6.305 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 2397703 UXLHSAFZWAMSKA-INIZCTEOSA-N 448.589 5.029 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2400915 RVLFEMIVGAOKLY-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 2729671 FODPLLOLBFSWMF-UHFFFAOYSA-N 434.564 6.806 0 40 IKAB COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)Nc1ccccc1)CC2 3006487 OMIWZGJPAUOWEC-DEOSSOPVSA-N 446.547 5.531 0 40 IKAB O=C(NCC1CCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3217357 USIAOXGNQISQRG-UHFFFAOYSA-N 441.380 5.104 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCC(=O)c3nnc(-c4ccccc4)o3)s2)cc1 3258792 VFDYUGURZMDABK-UHFFFAOYSA-N 437.550 5.430 0 40 IKAB O=C(COC(=O)c1ccc(OC(F)(F)F)cc1)Nc1cc(Cl)c(Cl)cc1Cl 3299883 GPIOLQPVBBNIER-UHFFFAOYSA-N 442.604 5.341 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)cc1 6143799 VTCMTWYCZNNEQN-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB COc1ccccc1OCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1 6177075 PYNGHFYMWKDNRD-UHFFFAOYSA-N 437.952 5.801 0 40 IKAB Cn1c(SCc2c(Cl)cccc2Cl)nc(-c2ccccc2)c1-c1ccccc1 8857055 PDDZMDIZKJUSFP-UHFFFAOYSA-N 425.384 7.353 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)cc1 8871453 CSHYXBQEGHMQPF-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8903080 RJEONCFYSRTECJ-UHFFFAOYSA-N 445.544 5.754 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c1C 8922087 CRCUDJUAFFNHAX-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccccc1Cc1ccccc1 8941633 IQNQKPOSEPQNON-UHFFFAOYSA-N 428.557 6.427 0 40 IKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)c1 9347262 JZAHGBLJZWJVOU-UHFFFAOYSA-N 425.557 6.155 0 40 IKAB COc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)c(OC)c1 9391687 IVDHABRVOLGKQY-UHFFFAOYSA-N 432.545 5.438 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 9415791 PSLNYPCZQYYANS-QGZVFWFLSA-N 444.560 5.194 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)no1 9451207 UOSHISKRMFPCJC-SFHVURJKSA-N 427.243 5.146 0 40 IKAB Cc1ccc([C@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3Oc3ncn4nc(C)nc4c32)cc1 9510521 GLFVOYJADBUZPO-FQEVSTJZSA-N 442.910 5.175 0 40 IKAB COc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2CC(C)C)cs1 9586794 MRRWHAXGVHSXMF-UHFFFAOYSA-N 437.590 5.477 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)cc2)CC1 9716514 NOKZXEAIHZAUPV-UHFFFAOYSA-N 434.590 5.029 0 40 IKAB CCC(C)(C)c1ccc(OCCCc2nc(-c3cccc(C)c3)no2)c(C(C)(C)CC)c1 9907352 OSYXZZZLYVJUJU-UHFFFAOYSA-N 434.624 7.432 0 40 IKAB CCCc1nc2ccccc2c(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)c1CC 10219560 RBUFNUSFGJVHFE-UHFFFAOYSA-N 430.957 5.059 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccccc1 12526633 XIGSCANVXVSELP-UHFFFAOYSA-N 428.605 6.536 0 40 IKAB Cc1ccccc1OCc1nnc(S[C@@H](C)c2nc(C(C)C)no2)n1-c1ccccc1 12527622 XIEWBHLYUXHIJV-KRWDZBQOSA-N 435.553 5.514 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12601521 ITCLXNGZLBOMCS-CFGKVWFZSA-N 439.943 5.391 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1Cl 12870161 SOVIUYFYJZVTGH-KRWDZBQOSA-N 435.351 5.239 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(F)c(NC(=O)C2CC2)c1 13012019 CEBVBHVANGPJMH-UHFFFAOYSA-N 439.512 5.324 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1 13038002 XEGXIACYQLFRJI-RUZDIDTESA-N 433.983 5.459 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)Nc1ccccc1Cl 13146125 MZMUBNSRDYAFAC-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 13498005 AJOZMHFKSTYTKY-RUZDIDTESA-N 448.588 5.133 0 40 IKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(-c2ccccc2)cc1 13992054 USFCSQRGOZCJOY-UHFFFAOYSA-N 439.496 6.034 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1 14271892 JASDYTPWKYZRSU-FQEVSTJZSA-N 443.616 5.711 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 16194578 MNMAPGGXUMQANS-MDZDMXLPSA-N 438.314 6.197 0 40 IKAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2)cc1OC 16228217 PEYLMXJHIQUIEB-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)Sc1nccc2ccccc12 16545106 NNNVRANCUMPEPB-UHFFFAOYSA-N 426.497 5.083 0 40 IKAB COc1cc2c(cc1OC)CN([C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)CC2 16554133 QPNINFJSBXCNDN-AREMUKBSSA-N 430.548 5.059 0 40 IKAB O=C(Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1ccc(Cl)cc1Cl 16768667 PFBLLHSDQKETOF-UHFFFAOYSA-N 440.355 6.260 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17095618 AHLRTPOVDHIXDB-UHFFFAOYSA-N 427.759 6.144 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 17096933 YYKSYLAAFVVYHS-UHFFFAOYSA-N 430.504 6.278 0 40 IKAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17099084 XEVKCYORRNGUOL-QGZVFWFLSA-N 434.561 5.612 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)nc2c1 17099497 RTYFDCFLVYEXFY-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB C[C@@H](OC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)C(=O)Nc1ccc(F)cc1Cl 18026276 MBVYBQLAAPEQAA-GFCCVEGCSA-N 436.867 5.010 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)cc1 19643105 ABGMYSKNQSQYQZ-CQSZACIVSA-N 445.382 6.104 0 40 IKAB Cc1ccc(OCCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 20058997 AFMIRJYESFBVCR-UHFFFAOYSA-N 440.259 5.926 0 40 IKAB CCc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20213692 VWVRRUYDGIAYCW-NRFANRHFSA-N 432.911 5.864 0 40 IKAB COc1ccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccc(C)c(C)c2)cc1 20285682 IOQQSDHVMBYBOQ-QPLCGJKRSA-N 449.528 5.132 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 20453900 OHHOJDOFNFUUPR-OAHLLOKOSA-N 431.726 5.454 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nc3ncc(Cl)cc3[nH]2)cc1 32719078 ZWUPSYQQGKDOIQ-UHFFFAOYSA-N 444.969 5.007 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)c1 33547269 PTJBAPZURZBDBT-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 38772600 FZSRNMGZBWYGEC-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB Cc1noc(C)c1CSCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 39575160 XLAROICSPJAOBC-LJQANCHMSA-N 429.929 5.149 0 40 IKAB CCc1ccc([C@H]2C(c3ccc(C)cc3)=C(O)C(=O)N2Cc2ccc(SC)cc2)cc1 40485722 BVOJNVJVONKHQR-VWLOTQADSA-N 429.585 6.332 0 40 IKAB Cc1csc(Nc2ccc(-c3nc(-c4ccc(S(C)(=O)=O)cc4)cs3)cc2)n1 58173132 LFOLYRARBUSTPG-UHFFFAOYSA-N 427.576 5.389 0 40 IKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 71851109 YPGJRPXMYQFLDQ-LEWJYISDSA-N 449.513 5.754 0 40 IKAB CCn1ncc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C 72376646 NOUSDTGPGZYFKY-QFIPXVFZSA-N 439.007 5.115 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 87493043 UBUHIKQRNDOKCZ-JHNMQDNKSA-N 442.728 7.140 0 40 IKAB O=C(O)C[C@@H](C/C=C\c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 90685005 MLWHGLZHUJARIA-NHHWLVAYSA-N 427.500 5.472 0 40 IKAB Cc1cccc(C)c1OC1CCN(C(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)CC1 95351291 DREKPBGRBNFLFN-UHFFFAOYSA-N 448.177 5.996 0 40 IKAB CC1=C(C(N)=O)[C@@H](c2ccccc2)N2C(c3ccc(C4CCCCC4)cc3)=CSC2=N1 108101382 JMDHOTIJRZDPDH-XMMPIXPASA-N 429.589 5.952 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1ncc(-c2ccccc2)o1 197429551 WMTJZVVBOHZHKA-UHFFFAOYSA-N 434.212 6.398 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219344205 UMWGFZMBEDYKEG-FQEVSTJZSA-N 435.911 5.359 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl 223359548 RSTUTVRWUDZHMZ-GOTSBHOMSA-N 448.979 5.600 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223363935 ATNILYQIBHMTTI-GOTSBHOMSA-N 449.963 6.069 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223848452 ZCQHOQWYFOMVIK-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223918486 DEBWICTVJWGEQT-KRWDZBQOSA-N 437.005 5.111 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 223958478 TXPNOQGDECNJOH-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 224858681 PWSCDIFZZPQSDD-UHFFFAOYSA-N 438.833 5.984 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1F 224905719 VSDIARPTOXWWRV-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225035527 VZBYORLSTPVBHU-YADHBBJMSA-N 436.640 5.557 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225225451 UXQRKOOTSCSUSK-NRFANRHFSA-N 433.017 5.074 0 40 IKAB Cc1ccc(CN2CCC(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)CC2)cc1 225549665 GPAYOSQYFMUACH-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCC(C)CC3)n2)cc1 225943813 ODYCLUMNYZEQGI-UHFFFAOYSA-N 447.608 5.300 0 40 IKAB O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2ncc(Cl)cc2-c2ccncc2)CC1 257321085 WAAMDYIUOROSCB-AQYVVDRMSA-N 433.983 5.820 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)O)n[nH]1 408631556 KHAHQVJFLXRSFN-ZDLGFXPLSA-N 440.912 5.141 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 408640016 HXBZKHQFFYHFKN-HNNXBMFYSA-N 449.776 5.219 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2cccc3ccccc23)c1 408726040 RQDMZUCKBOORNB-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 408736252 ABKZHUCLFRBQBB-DEOSSOPVSA-N 427.504 5.123 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cn(Cc2ccccc2)c2ccccc12 408801343 VKGJBLOEZDSUGU-UHFFFAOYSA-N 428.512 5.592 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c(C)c1 409179080 PSTUBPAFOLFQII-PVEKBVMHSA-N 436.599 7.161 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409196809 REEJNFKJGVHYQI-UHFFFAOYSA-N 447.387 6.671 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 500291696 JZUCTBSESBWWLZ-MRXNPFEDSA-N 429.973 5.007 0 40 IKAB CC(C)CNC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 845335 CJYKGZBVSNQIFS-UHFFFAOYSA-N 431.245 5.108 0 40 IKAB Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(F)c(Cl)c4)n23)cc1 937507 FAHFZNPQIVSQQM-UHFFFAOYSA-N 432.933 5.290 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1OC 998225 OJWHSJIOGRNFJA-XPWALMASSA-N 427.327 5.927 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 1339863 FAMMHCVOTBHYQJ-UHFFFAOYSA-N 441.556 5.515 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccc(C)s2)c1 1365945 MGQOFKMQVLINCG-IBGZPJMESA-N 438.515 5.450 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)c1 1376577 BASJWCKJVDUTMY-UHFFFAOYSA-N 449.605 5.134 0 40 IKAB CC(=O)Nc1ccc(Sc2ccccc2C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 1392510 CJJXMRWVVWIDHO-UHFFFAOYSA-N 447.438 5.342 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)c1 1447676 YUNPYYBGUNNWQR-UHFFFAOYSA-N 445.448 6.113 0 40 IKAB Cc1[nH]c2ccccc2c1-c1cc(-c2cc(-c3c(C)[nH]c4ccccc34)nc(N)n2)nc(N)n1 1588368 TXGMWEKIVABCRZ-UHFFFAOYSA-N 446.518 5.011 0 40 IKAB in-vitro O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(C(=O)c2ccccc2)cc1 2031147 BZTCVFHEQOMZCU-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(C)cc2C)cc1 2210115 XGRSVGRHGQBCCF-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB COc1ccccc1Oc1coc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O 2401244 OTXJGKDWPCXWBZ-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)ccc1OCc1ccccc1 2665264 VKJMKBDCCDNZOM-UHFFFAOYSA-N 430.529 5.958 0 40 IKAB O=C(Oc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)c1ccc(Cl)cc1 3063521 WEXVHABQASUGOC-UHFFFAOYSA-N 428.193 6.419 0 40 IKAB CCc1ccc(C(=O)C[C@H](Nc2ccc(Br)cc2)c2ccc(OC)cc2)cc1 3166449 DHGGERTVBWWLAZ-QHCPKHFHSA-N 438.365 6.446 0 40 IKAB CCN(CC)c1ccc(NC(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc1 3216386 PEJJLJQTEMXBGT-UHFFFAOYSA-N 438.612 5.923 0 40 IKAB CCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(=O)Nc1cccc(Cl)c1C 3224608 NSDJWCQQNZDTAT-UHFFFAOYSA-N 448.375 5.861 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)c1c(F)cccc1Cl)oc1ccccc12 3242792 AMVKDMXWXBFJLL-UHFFFAOYSA-N 427.815 5.183 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(F)c(F)c1 3292981 JUOQFRMAJNAMDT-UHFFFAOYSA-N 442.878 5.236 0 40 IKAB Cc1cc(C(=O)COC(=O)CCSc2ccccc2Cl)c(C)n1Cc1ccco1 3294908 VZRFYGZFDVPYQN-UHFFFAOYSA-N 431.941 5.308 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 3418641 PKJGRCNFYZMMOD-VWLOTQADSA-N 430.548 5.357 0 40 IKAB C[C@@H](NC(=S)N=[P@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 5519551 OZNNEBVFCDKOKT-WHLCRQNOSA-N 429.570 5.195 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCCC2)cc1 6134853 CSQFVCDIMOQTOD-UHFFFAOYSA-N 447.648 6.239 0 40 IKAB CCCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc3ccccc3c2)cc1 8426946 FZSLUFNZMBJXJR-UHFFFAOYSA-N 436.577 5.719 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]21 8789921 AJRXQQMYPFLZEZ-OSPHWJPCSA-N 444.918 5.529 0 40 IKAB biogenic O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c2c(nn1-c1cccc(Cl)c1)CSC2 8909581 CJHOWLRHSBENKP-UHFFFAOYSA-N 445.975 6.121 0 40 IKAB Cc1cc(Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)n(-c2ccccc2)n1 9065120 SNDGOFMNEDRNJA-UHFFFAOYSA-N 426.911 6.265 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)NCCc1ccc(Cl)cc1 9127768 CCLFXAIATPMRAH-UHFFFAOYSA-N 433.964 5.401 0 40 IKAB COc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 9226180 PXOKPEGTZPTJGS-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccccc2C(F)(F)F)n1 9305683 HJHBGYBWZUOZLB-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB COCCCn1c(SCc2ncc(-c3ccccc3)o2)nnc1-c1ccccc1Cl 9317706 XRJXJHYVICFNIM-UHFFFAOYSA-N 440.956 5.582 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9358280 IBKYNEFOMSOAHD-HBMCJLEFSA-N 439.298 5.045 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1OC 9496776 RYURAQNSDVVOCI-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl 9606302 SCGQHFSAVWDPHP-HXUWFJFHSA-N 426.303 6.254 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 9953108 RVWRJGVCXUCCII-HZPDHXFCSA-N 442.560 5.080 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C)cc1OC 10246645 GMRGSNYQOWLAEF-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4Cl)cc3C[C@@H]2C)cc1 10326644 QIHRISHUASNZRL-INIZCTEOSA-N 440.952 5.041 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)N1CC=C(c2c[nH]c3ccccc23)CC1 11073437 AMZSHWUTARUSFZ-UHFFFAOYSA-N 445.744 5.279 0 40 IKAB COc1ccc(-c2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 11865229 PMHZIQXSQVHKGW-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC 11866344 QQFLXLIUSMREAK-UHFFFAOYSA-N 431.488 5.927 0 40 IKAB biogenic CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H](C1CCN(C(=O)CCc3ccccc3)CC1)N2 12181524 VQBDMRVSSKFIRI-VQTJNVASSA-N 444.570 5.042 0 40 IKAB COc1cccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)c1 12196710 WOAILKNGXYOOAL-RCZVLFRGSA-N 432.545 5.668 0 40 IKAB CCOc1ccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)cc1 12250929 PWRBAVJVMCTEAG-UHFFFAOYSA-N 449.532 5.214 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 12462623 QJSVKMLGHRIKJD-UHFFFAOYSA-N 438.914 7.376 0 40 IKAB CC(C)n1cc(C(=O)N(C2CCCC2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cn1 12645000 JZMQMLWMPVFULB-DEOSSOPVSA-N 436.600 5.039 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)[nH]c(=O)c12 12908963 FONVBWNPBIDONO-RDJZCZTQSA-N 445.654 5.124 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)cc1 12954915 OATUGQVRSFARFU-IGKWTDBASA-N 440.609 5.172 0 40 IKAB CCOC(=O)c1sc2cccc(F)c2c1COC(=O)/C=C/c1cccc2cccnc12 13002437 BQJFHNWIPXAQJG-VAWYXSNFSA-N 435.476 5.522 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3NC(=O)c3ccccc3)s2)cs1 13114268 BEZNOICNGGMCFN-UHFFFAOYSA-N 433.558 5.362 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccc(F)c(F)c1 13131685 QCBMHKGAEGSHMY-UHFFFAOYSA-N 428.891 5.991 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Sc1nc2c(c(=O)[nH]1)C1(CCCC1)Cc1ccccc1-2 13601475 FKZDWZVCALJTNB-UHFFFAOYSA-N 436.964 5.320 0 40 IKAB COc1ccc(-c2cc(-c3nn4c(-c5ccco5)nnc4s3)c3ccccc3n2)cc1 13629909 TZYFRQXRAXVSPL-UHFFFAOYSA-N 425.473 5.337 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 13684273 IUXFLEKWFNMHOF-LJQANCHMSA-N 430.548 5.493 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OCc1ccccc1 15947764 CAMGTXMMPQJEJN-FYSMJZIKSA-N 448.588 6.280 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(-c2ccccc2)cc1 15978765 PJJJVVAUHZCODT-UHFFFAOYSA-N 432.570 5.505 0 40 IKAB COc1ccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)cc1 16768793 VNUWFFBENWJANI-UHFFFAOYSA-N 441.365 5.293 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c(F)c1F 17097881 AQELNOJBMDXHSO-UHFFFAOYSA-N 432.398 5.781 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 17098549 UEDRCZSDLDDERL-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)c3[nH]nc4c3CCCCC4)CC2)n1 19691587 RLDDXGQGOZFRET-UHFFFAOYSA-N 446.570 5.132 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 20044075 GEFYFTJAPIDSJX-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 20744349 SQXNVNYBFUXNMH-KRWDZBQOSA-N 431.279 5.037 0 40 IKAB CCCCN(C(=O)COc1ccc(C(C)=O)cc1OC)c1nc2ccc(C)cc2s1 21056273 UNOBWHKGEPZJCL-UHFFFAOYSA-N 426.538 5.028 0 40 IKAB Cc1ccccc1-n1c(C)nnc1SCc1nnc(-c2c(-c3ccccc3)noc2C)o1 21405033 JLPTTXLTFQEEES-UHFFFAOYSA-N 444.520 5.190 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1 22375401 SZAFXSDODIEQBD-IAGOWNOFSA-N 437.565 5.453 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccc(F)c1 22528094 ZHMIWMRGNJJHQG-UHFFFAOYSA-N 449.507 5.386 0 40 IKAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 24348864 GRQKAPXMBWZCNK-UHFFFAOYSA-N 430.895 5.058 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 26124078 ANPNSOBLBLHAJL-UHFFFAOYSA-N 448.935 5.940 0 40 IKAB CCO[P@@](=O)(c1ccccc1)[C@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 26962903 SGDZPTMIISDAHO-QLXKLKPCSA-N 434.687 5.061 0 40 IKAB COc1ccc(NC[C@@H]2C=C(C)[C@H](Cc3nnc(-c4cccnc4)o3)C[C@H]2C(C)C)cn1 30882966 QFCWYZCUVQUJLM-ONTIZHBOSA-N 433.556 5.044 0 40 IKAB biogenic,in-vitro O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1 30943145 YIDYTNLZSCERGY-OAQYLSRUSA-N 432.951 5.422 0 40 IKAB COc1ccc(Cn2cnc3c4ccccc4n(Cc4ccc(Cl)cc4)c3c2=O)cc1 35400198 NVIFRCLSUGKWKC-UHFFFAOYSA-N 429.907 5.110 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2Cl)cc1 38771912 SMQFHRZATVFNFZ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 39404545 OBLRYJOBGAYEPF-PDJLYPKISA-N 443.497 6.793 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Sc1ccc(Br)cn1 40146478 SVCIVVXBKZHRAD-UHFFFAOYSA-N 443.322 5.019 0 40 IKAB CN1CCN(c2ccc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)cc2Cl)CC1 57313579 SCGONIVEEIXQEV-UHFFFAOYSA-N 444.019 5.185 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)NCc4ccccc4Cl)nccn3n2)cc1C 67289663 NQZCRDPXHZRNOE-UHFFFAOYSA-N 436.968 5.075 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3ccccc3)n2)cc1 69607289 DTHXTZVCTABAGN-UHFFFAOYSA-N 440.528 5.096 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 96023657 GSNYNPKRIFCZGN-PSPMEKIFSA-N 446.716 5.966 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc5nc(C)sc5c4)CC3)o2)cn1 100155945 FZZRWRMJUTWRQG-CALCHBBNSA-N 447.564 5.062 0 40 IKAB O=C1S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1c1ccccc1 107673470 FYVBKZHJRJACNV-UQQQWYQISA-N 437.520 6.660 0 40 IKAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@@H](c2ccccc2)C1 108932517 VZEZPRXVQDNKFC-LJQANCHMSA-N 448.530 5.641 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 214040401 MXSIVCBHFMRTCV-HYARGMPZSA-N 435.932 6.156 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223174982 UQBCQVGDYPCNBE-VWLOTQADSA-N 430.592 5.495 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223736050 FEJSPHVOAIFYMV-RUZDIDTESA-N 438.612 5.221 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(Cl)cc2Cl)c1 223935195 CUJGUUVRPDOHJJ-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 223994477 PKLYSNSFVQDLOD-UHFFFAOYSA-N 430.621 6.322 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)(C)C)cc3)c2)cc1 224078974 RTCQVHUUFBTSMU-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C)c2)cc1 224104607 FXSDAWQRMVRPRN-UHFFFAOYSA-N 447.531 5.792 0 40 IKAB CC[C@H](NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 224336476 GIWDFYUDBMQRPM-QFIPXVFZSA-N 442.968 5.046 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COc1ccccc1 224367832 GMVTXAZUPUYYNF-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)s1 224484037 FFKSQJKSEQCIAI-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C)c(C)c1 224626792 JAAZQSPMZJLVIP-JOCHJYFZSA-N 431.576 6.032 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NCC(C)C)cc1 224732992 XUDJRQMSGAWVST-XMMPIXPASA-N 443.031 5.415 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c(OC)c1 224799089 DUQIQSZUGPTIKZ-ZEQRLZLVSA-N 448.592 5.029 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224972549 ABULXCNEAFWOPF-JOCHJYFZSA-N 449.422 5.158 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225015796 YBTYUWALIXKNSV-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225153099 AIXAJXIVPCLTPQ-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 257203784 ARPWKXIRPGZDSX-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB COc1cccc(-c2cccc(CC3(C(=O)NCCC4=CCCCC4)CCOCC3)c2)c1 257213384 CHIIQRQDPMDDGW-UHFFFAOYSA-N 433.592 5.708 0 40 IKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)cc1 257214516 CMHMPSUASFNVNT-SYYKKAFVSA-N 432.568 5.251 0 40 IKAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257227122 FNUHINOMQZVIHB-JOCHJYFZSA-N 431.923 5.834 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257256431 KLLSAHJOHUREFJ-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB Cc1nc(CC(=O)N2CCCC[C@H]2c2ccc(Cc3ccccc3Cl)nc2)cs1 257265043 LXAVMPSARBMIGH-QFIPXVFZSA-N 425.985 5.387 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)c1 257321771 WDECCRKBXGYXGR-LJQANCHMSA-N 429.520 5.084 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 408559008 WYFFHMMGEJVZLF-XMMPIXPASA-N 439.964 6.015 0 40 IKAB Cc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 408572750 IAYPFTYIULGNCK-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccccc2F)c(Cl)c1 408613857 WOTYSIJHYADFAE-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1cc(Cl)ccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 408627492 MXEFDWYWSFWUFO-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)cc1 408698700 RNPACDFXDCRBRP-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Br)c1OCc1ccccc1 409118360 PHMKGDLMFVCICQ-UHFFFAOYSA-N 440.381 6.601 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Br)cc1 409121782 WLDCXCNQNFJRKL-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 409215614 CIKRIDNGEHKFFY-UHFFFAOYSA-N 448.979 5.305 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)c1 409245676 XKWJRJXAEIVFOH-XDHOZWIPSA-N 437.293 5.110 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(CSc2ccccc2)cc1 409309699 LIONXMYVRDNHPQ-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccc1F)CCOCCO2 643565812 KBHRUZODRGVHRA-UHFFFAOYSA-N 433.567 5.951 0 40 IKAB Cc1ccc(CN2CCCCCCCN(C(=O)C(C)C)c3ccc(C(=O)O)cc3C2)s1 643582961 ARNABSUKXRTYFI-UHFFFAOYSA-N 442.625 5.710 0 40 IKAB C[C@@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)NCCC3(O)CCCCC3)ccc2O1 2037875268 NCINFTFTMFRRRE-RUZDIDTESA-N 441.999 5.020 0 40 IKAB O=C1O[C@]2(c3ccc(Br)cc3)[C@H](OC(=O)C23CCCCC3)C12CCCCC2 1075656 IBGURYAQEKKAFD-VGOFRKELSA-N 433.342 5.028 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1371288 QBOBKCAQUCGLSH-UHFFFAOYSA-N 435.524 5.580 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1378210 QXXHKNKIOKIRJN-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB COC(=O)c1oc2ccccc2c1N(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 1386295 PFDFOGXJPWFLOP-UHFFFAOYSA-N 431.400 5.424 0 40 IKAB Cc1cc2c(ncn2C(C)C)c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)c1C 1388515 QFDJEQFZPCFOHR-UHFFFAOYSA-N 446.787 5.995 0 40 IKAB Cc1oc2c(C)c(OC(=O)CCC3CCCC3)ccc2c(=O)c1-c1nc2ccccc2s1 1750624 TVMJBHNYQMJCOH-UHFFFAOYSA-N 447.556 6.562 0 40 IKAB biogenic Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)Cn1nc(C)cc1C 2083379 ZESFSVJJSQJEKB-AREMUKBSSA-N 449.598 6.467 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2246493 ACSNALGVCSBTNO-NHCUHLMSSA-N 436.899 5.345 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)no1 2343637 KYCDNNVSLKTUGQ-SFHVURJKSA-N 427.243 5.146 0 40 IKAB COc1ccc(CSc2nc(SC(C)C)nc3sc4c(c23)CC(C)(C)OC4)cc1 2411199 XQMBZPSMKNPTDJ-UHFFFAOYSA-N 446.663 6.344 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ccccc1OC(F)F 2639879 MUIHKHZZCIOMQC-UHFFFAOYSA-N 443.500 5.691 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ncc(Cl)cc1Cl 3262664 VSBIRVKBNVAKRO-UHFFFAOYSA-N 447.372 5.791 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 3343267 CDEPNLZJJPWJRW-UHFFFAOYSA-N 430.507 6.857 0 40 IKAB CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2c(O)cccc12 4825116 FDSCJBNNBOEULF-NDEPHWFRSA-N 448.651 7.103 0 40 IKAB CCCCOc1ccc(-c2nnc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 6078004 DQPZLPQKXTWWNZ-UHFFFAOYSA-N 448.364 6.543 0 40 IKAB O=C(Nc1nc2ccccc2s1)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1 6147027 GPCTXLDLONDKSA-UHFFFAOYSA-N 443.937 5.003 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Br 8427193 ZRICNYFQLOCGPU-OAQYLSRUSA-N 441.756 6.467 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Br)cc21 8590662 MWPBLFJZCXSBFK-XMMPIXPASA-N 447.332 5.022 0 40 IKAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@@H](C)CCC[C@@H]1C 8749333 GSUHLVCXCHVJJA-OALUTQOASA-N 446.547 5.269 0 40 IKAB CCCCN1C(SCc2cccc(Br)c2)=NS(=O)(=O)c2ccccc21 8757109 XJRHFGLMMXZQLQ-UHFFFAOYSA-N 439.400 5.047 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 8832292 NXFIZHRULGQCGM-UHFFFAOYSA-N 445.527 6.922 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 8862141 JJYDQTFISJZUHI-NSHDSACASA-N 449.399 5.223 0 40 IKAB COc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OC)cc3OC)C2)c(OC)c1 8925994 UUKTXSKHUSFFPV-DWOOMVRVSA-N 444.531 5.742 0 40 IKAB COc1cccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2C)c1 8938248 BHDYBSGTBFWBQG-JOCHJYFZSA-N 444.560 5.271 0 40 IKAB Cc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C 9041236 YSRJNBIZEHMUJG-DHLKQENFSA-N 429.907 5.021 0 40 IKAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1 9139631 WODCITOTRRZENQ-UHFFFAOYSA-N 428.989 5.665 0 40 IKAB Cc1c([C@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C 9288199 LGNAWNXUMQTZJE-RUZDIDTESA-N 443.934 5.324 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1C 9296254 MFYHWDXWZOQRIF-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CC[C@@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 9382903 RXIQPRGEBDUGCM-CYBMUJFWSA-N 430.986 5.236 0 40 IKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O 9410306 BCKTXXMHUZFPDD-UHFFFAOYSA-N 442.515 6.236 0 40 IKAB biogenic C[C@@H](C(=O)NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420663 ZHZUSMRGTDOSAQ-CQSZACIVSA-N 430.895 5.444 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2cccc3ncccc23)cs1 9513371 KRNNHMYNGYALMC-UHFFFAOYSA-N 431.517 5.350 0 40 IKAB CCN(CC)C(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CC 9544501 XSJCPAKNCHYCHL-UHFFFAOYSA-N 445.592 5.141 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)c(F)c1 9545867 ALUPVVKRLPMGPU-UHFFFAOYSA-N 434.471 5.215 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1 9570914 HELDCOWEPHDWPW-UHFFFAOYSA-N 434.952 5.242 0 40 IKAB CC(C)NC(=O)CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 9632672 WHINGJQYNATYRH-UHFFFAOYSA-N 438.940 5.222 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 9968685 SYJBVZCTCMEWRU-UHFFFAOYSA-N 430.508 5.169 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 11865794 ALQNIJCGTCZRDM-VQANOXKBSA-N 436.504 5.136 0 40 IKAB Cc1cccc(OCCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)c1 12378333 KGPKWKISYLZKCW-UHFFFAOYSA-N 428.576 6.690 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cccc(NC(C)=O)c1)C(C)(C)N2 12436611 OXXKDTDADBTTCS-FLFQWRMESA-N 425.579 5.727 0 40 IKAB CC1CCN(c2ccc(NC(=O)COc3ccccc3C(=O)Nc3ccccc3)cc2)CC1 12524865 DZZCDFYJTBPJSE-UHFFFAOYSA-N 443.547 5.193 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 12567162 XDWWXHIOTMBUIH-KRWDZBQOSA-N 447.560 5.168 0 40 IKAB CN(Cc1cccc(Cl)c1)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 12775040 WGSDGMNXLAJSPN-UHFFFAOYSA-N 430.360 5.590 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12906897 VVTPREVPAKWFOL-UHFFFAOYSA-N 431.241 5.542 0 40 IKAB Cc1csc(N(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2)n1 13109963 PTZANMNZIDQKIL-UHFFFAOYSA-N 447.589 5.367 0 40 IKAB CCOC(=O)c1sc2nc([C@@H](C)Sc3cc(C)c4ccccc4n3)[nH]c(=O)c2c1C 13141533 QNNNUFLIOLAZEB-CYBMUJFWSA-N 439.562 5.180 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccoc1C 13512461 NWZGQHOTNLZZHB-UHFFFAOYSA-N 438.475 5.396 0 40 IKAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(-c4ccccc4Br)nc3c12 15842300 JNHXPBNEEQJJFH-UHFFFAOYSA-N 436.288 5.254 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 15905995 RASQLJPRIAXTQV-AWNIVKPZSA-N 447.343 5.446 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNCc2ccc3c(c2)OCO3)cc1 16401817 VZGJVXPESCIMAP-UHFFFAOYSA-N 444.300 5.186 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 16611246 CGUVAYHZBXJAJE-MRXNPFEDSA-N 443.572 6.444 0 40 IKAB O=C(OC[C@@H]1[C@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl 16771211 ZXIGIRHSXSWKBO-OKILXGFUSA-N 448.129 5.427 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 17097949 LPZNOGKGHHKNKW-MRXNPFEDSA-N 432.499 5.399 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc4c(O)cccc34)o2)cc1Cl 17100883 VXTXFHYBRICDPN-UHFFFAOYSA-N 436.920 5.894 0 40 IKAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc(S(=O)(=O)N(C)C(C)C)cc2)cc1 17367605 PLEIRMXGPDOEQY-UHFFFAOYSA-N 428.579 5.005 0 40 IKAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1C 17823381 FMRKBPHKBWZQHU-HYARGMPZSA-N 436.433 5.962 0 40 IKAB O=C(c1sc2ccccc2c1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19827968 UPBDGUXIGSINDW-UHFFFAOYSA-N 447.003 6.102 0 40 IKAB COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 20405383 FOKJNZRLRCXIIV-OAQYLSRUSA-N 446.330 5.145 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1 21140963 SJQARBORJSOXPC-UHFFFAOYSA-N 447.516 5.437 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1occc1COc1ccccc1 22282481 RCNNVLOFWKVFDV-UHFFFAOYSA-N 447.318 5.266 0 40 IKAB CCCN1CCC(NC[C@@H](c2ccc(OCC)c(OC)c2)c2c[nH]c3ccccc23)CC1 23907689 DAVPHXFNNZNKLC-QHCPKHFHSA-N 435.612 5.171 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccccc1C(=O)Nc1ccccc1 24756582 QXJDQBONOQZYBE-KRWDZBQOSA-N 444.560 5.180 0 40 IKAB CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@H](c1ccc(Cl)cc1)c1nccn1C 24969201 AHJNXXKHARSIEZ-VUFXHXBKSA-N 434.754 5.642 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(COc4ccc(Cl)cc4)o3)o2)cc1 26433287 GBVAFPLGIPAILV-CYBMUJFWSA-N 428.901 5.514 0 40 IKAB O=C(C1CCN(Cc2c(Cl)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 38850894 ICKYMSZAMFAKRD-UHFFFAOYSA-N 445.434 5.687 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44911472 MBNKTOKIPFCIKM-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Cc2ccncc2)cc1 57313158 BHTRQEVZIBKNAE-UHFFFAOYSA-N 425.326 5.231 0 40 IKAB Cc1nc2ccccc2nc1C[S@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 58632431 BSCNMFUNLMPING-NDEPHWFRSA-N 427.982 5.088 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 59294556 DGELSERYPPTVHO-ACCUITESSA-N 446.890 6.406 0 40 IKAB Cc1cc(-c2cccc(Cl)c2)nc([C@H]2CCCN(C(=O)c3ccc4[nH]c(C)nc4c3)C2)n1 72357496 HIWQHOIHFJYUTK-IBGZPJMESA-N 445.954 5.310 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 72372580 CLUAOFKNAFJEOI-QFIPXVFZSA-N 441.535 5.572 0 40 IKAB Cc1ccc(S(=O)(=O)n2ccc3c(-c4sccc4Br)ccnc32)cc1 95936926 UZHXYAIKTCQGHG-UHFFFAOYSA-N 433.352 5.073 0 40 IKAB C/C(=C\c1ccccc1)[C@@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 101459177 BAQVUCVADXCJET-WFBCFIKKSA-N 434.543 6.123 0 40 IKAB CC(C)=CCc1c(O)c(CC=C(C)C)c2oc(-c3ccc(O)cc3O)c(O)c(=O)c2c1O 101775638 UFAMYTKZFTUYPU-UHFFFAOYSA-N 438.476 5.005 0 40 IKAB biogenic,in-vitro CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 102681272 SMNNPRYAEDCRGM-VETMOPARSA-N 447.531 5.964 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccccc2Cl)c(Br)c1 218882812 FXDJYNHUIQRGGE-UHFFFAOYSA-N 438.793 5.528 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)c1 219775633 NDCLSYWLRBOJDO-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222655215 GUSXUISMCHTDKV-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl 222844440 NCRGROVZQKSOGI-ROUUACIJSA-N 436.939 5.545 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 223023104 AAHWIWOIIVKFCG-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 223269638 XGDLRJMZXOVKLL-ULJHMMPZSA-N 446.503 5.019 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 223481651 HFTNJYUTRJCCCI-SANMLTNESA-N 448.538 5.021 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 224144733 JWTWIZAYJBMPCC-DEOSSOPVSA-N 438.637 5.176 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(Cl)c(C)c1 224207040 YIBSGSIIKQOBEV-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224243540 XSLMUQSVFBAYJD-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224592169 DTDFXEPNCVZZSY-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 224629649 LCKDVYHYJWYJFD-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@H](Cc1ccccc1)C(=O)NC(C)C 224793983 OJGGQZCZSIJZDV-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225299746 VYAKUPYWQSNJOY-ROUUACIJSA-N 449.422 5.566 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 225452238 AIXFVRLNIYLGNK-UHFFFAOYSA-N 426.409 5.854 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225516105 LDCJQPLEQCDHJU-ZJSXRUAMSA-N 438.612 5.021 0 40 IKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)CC1 225545003 FTBYCBKOGKFSQU-UHFFFAOYSA-N 438.587 5.777 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1O[C@@H](C)CC 225750810 NVBGXIBXYGRVSN-KRWDZBQOSA-N 443.971 6.145 0 40 IKAB COc1c(Cl)cc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1Cl 226286763 YQTCRGYURZIZQD-UHFFFAOYSA-N 425.271 5.971 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2cc(Cl)ccc2C)cc1Cl 408556403 KIPNNGINXNMYOV-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl 408604793 FWGPTPXMRULMBV-UHFFFAOYSA-N 432.303 5.891 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 408695100 PEXXUBKPTYYBIX-QHCPKHFHSA-N 425.981 6.737 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cc(C)ccc2C)c1 408699685 VQLGKJRUOMWFPF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1/N=C(c2ccc(Cl)cc2)OC1=O 408840903 DAQIKFURDKTNQL-YLGLTRLVSA-N 429.859 5.303 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(Br)c1O 408993922 XOAJOVBFYYUNST-UHFFFAOYSA-N 435.343 5.200 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)C1=O 409228781 FBJAWHLJJNMGRM-XDHOZWIPSA-N 449.931 5.903 0 40 IKAB CCN1CCCCN(C(=O)C2CCCCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643584334 MTXLINSJUPOBCB-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB O=C(c1ccc(S(=O)(=O)c2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 625651 HFCCLOCBCJPIRQ-UHFFFAOYSA-N 443.549 5.963 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 648700 FRHYBSDLXZACRL-UHFFFAOYSA-N 447.947 5.884 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccccc2F)N1c1cccc(C(F)(F)F)c1 651583 AIZYGQDMMSJHBF-QFIPXVFZSA-N 437.396 5.984 0 40 IKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 675131 SDYDJBWUOMWXJC-BIMULSAOSA-N 435.277 5.379 0 40 IKAB CCNc1nc(Sc2nc(C)cc(C)n2)nc(N(c2ccccc2)c2ccccc2)n1 850756 CKLJJLQTWJKDBH-UHFFFAOYSA-N 429.553 5.331 0 40 IKAB O=C(c1ccc(Br)cc1)N(C[C@H]1CCCO1)c1nc(-c2ccccc2)cs1 882102 XPSYXVMILJFRMG-GOSISDBHSA-N 443.366 5.398 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCCc4ccccc4)c23)C1 1377300 LJEJCLGZJINJQW-HNNXBMFYSA-N 437.634 5.145 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)cc1OC 1413624 ZYJVKAMOTGDXOP-UHFFFAOYSA-N 431.439 5.699 0 40 IKAB COc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)cc1 1833675 JQQKIVJLJJPRPV-SANMLTNESA-N 440.543 6.650 0 40 IKAB CCCC(=O)N(c1ccc(Br)cc1)c1nc(-c2ccc(C)cc2)c(CC)s1 2170633 YECOMPZSBPNRFQ-UHFFFAOYSA-N 443.410 6.908 0 40 IKAB Nc1ccccc1S[C@@H](CC(=O)c1ccccc1OCc1ccccc1)c1ccccc1 2178969 AWHUPTMENPKGFY-NDEPHWFRSA-N 439.580 6.954 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 2208293 HCESPOOFZSIYOH-VWLOTQADSA-N 448.613 5.981 0 40 IKAB Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 2247523 BBVYPBPYLMIYJS-LEWJYISDSA-N 436.899 5.345 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2350579 LQFPFRBHACFGDQ-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC(CC)CC)c2c1C 2622926 RRFIDLAGZGONQA-UHFFFAOYSA-N 429.611 6.069 0 40 IKAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 3216586 KNJYGEFOQCNVSF-UHFFFAOYSA-N 428.271 5.020 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2ccc(Cl)cc2)c2ccccc2)c1 3266362 RNUOZDDMZCOCJU-NRFANRHFSA-N 449.967 5.405 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CSc2nnc3cc(C)c4ccccc4n23)c1Cl 3274246 NZTQHGITBAANOZ-UHFFFAOYSA-N 431.348 5.537 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)cc2s1 3336438 NFTBOVJNUCZLKP-UHFFFAOYSA-N 427.938 5.824 0 40 IKAB aggregator CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636618 CWSONHBODQDMAZ-VGOFRKELSA-N 434.561 5.202 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ccccc3[nH]2)c1 5635542 DTXYCSVBYNPKLA-UHFFFAOYSA-N 425.532 6.295 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 6232804 RGNXWIPNUYECGQ-LQDNNDEMSA-N 434.322 5.564 0 40 IKAB CCCn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nc2cc(Cl)ccc2c1=O 8751075 KFPVJMDDAJASMV-LLVKDONJSA-N 432.958 5.425 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccco1 8774938 ULBXBEUOPNDXDN-NRFANRHFSA-N 425.488 5.184 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 8778999 JRJBBXRIKUPJJC-MFMCTBQISA-N 446.550 6.816 0 40 IKAB COc1ccc([C@H](CC(=O)NCc2ccccc2)Sc2nc(-c3ccccc3)n[nH]2)cc1 8830495 GUZHTODTKVHHDT-QFIPXVFZSA-N 444.560 5.020 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 8832442 PJNATCIGOOURCG-IBGZPJMESA-N 446.616 5.769 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1OC 8837879 HHHQUJJJCOQYRW-WNCULLNHSA-N 442.559 6.244 0 40 IKAB CSc1cccc(NC(=O)c2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)c1 9120546 RAKKGFAJCKJLJY-UHFFFAOYSA-N 440.783 6.174 0 40 IKAB CC(C)CCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9144845 RGBZMIYOIOQIOH-UHFFFAOYSA-N 449.645 6.896 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3ccccn23)cc1 9316858 OSZIJGFTOLDIRA-UHFFFAOYSA-N 433.895 5.057 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccc(Br)c(C(F)(F)F)c1 9318208 KGSZPFWFXPBYOW-UHFFFAOYSA-N 442.260 5.168 0 40 IKAB N=C1S[C@H](Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 9440493 LNQNBPCLTDUUDR-QGZVFWFLSA-N 448.400 5.667 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 9463923 GZAISJJDLRTSPI-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nn(-c3ccc(F)cc3)c(=S)s2)c1 9602540 AALQPOGPZQBROI-GFCCVEGCSA-N 433.555 5.124 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3Br)s2)c1C 9632055 UHUCAGWWDFWQHT-UHFFFAOYSA-N 449.399 5.392 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)cc1 9708239 UEMFWPKSSPHSSJ-LJQANCHMSA-N 427.367 5.044 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9727131 NTPRSFUORWAJBS-LJQANCHMSA-N 438.574 5.037 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 9851013 AZSVCERVVQYHQI-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(-c3nc4ccccc4s3)o2)N2CCCC2)cc1 9950235 UPXVEJJJODSONG-FQEVSTJZSA-N 447.560 5.132 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc2ccc(OC)cc2[nH]1)c1ccccc1 9951980 SJTXEUDMNCDBGU-QFIPXVFZSA-N 433.533 5.442 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)c1 12062108 IIADXAILRDKHTB-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)cc1OC 12437281 VSTGRFASKVXDLM-UFHPHHKVSA-N 436.511 6.099 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1-c1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12640568 SHDOLWPAXOPGLA-UHFFFAOYSA-N 438.962 6.926 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)cc(C)c3O)oc2cc1C 12651593 TWVKJFWPVVKXLK-UHFFFAOYSA-N 430.460 5.149 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(C(c3ccccc3)c3ccccc3)oc2N(C)C)cc1 12652910 OMMUMEWQRJUORV-UHFFFAOYSA-N 432.545 5.062 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)c2c1[C@H](C)CC2=O 12746535 SKLCKHPLEDVWHV-QGZVFWFLSA-N 432.545 5.390 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cs1 12754707 KSNKFYJYNQLBAN-ZPHJMFTNSA-N 444.560 5.107 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc2ccccc2c1 12986705 FXECCYWFCPPOPK-UHFFFAOYSA-N 435.911 5.359 0 40 IKAB CN(Cc1ccc(Cl)cc1)[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 13068809 TURVVGRYOJHXBG-OAQYLSRUSA-N 432.873 6.171 0 40 IKAB O=S(=O)(Nc1ccccc1Cl)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12 13129354 XCBZYESYBPEBRC-UHFFFAOYSA-N 443.915 5.885 0 40 IKAB COc1cc2c(cc1OC)OC(C)(C)C([C@H]1CC(C)(C)Oc3cc(OC)c(OC)cc31)=C2 13480423 IQLKFKMUIAAVNB-KRWDZBQOSA-N 440.536 5.620 0 40 IKAB biogenic CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Br)cc3)n2CC)cc1 14071278 JYEIEPNSRIGLFB-UHFFFAOYSA-N 445.386 5.021 0 40 IKAB O=c1[nH]c(-c2ccccc2)c(C(c2cccs2)c2sc(=O)[nH]c2-c2ccccc2)s1 15022134 JAMUIGHRWFQESE-UHFFFAOYSA-N 448.594 5.762 0 40 IKAB NC(=O)[C@H](OC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)c1ccc(F)cc1 15518840 CHAMSLJROOAZDV-HXUWFJFHSA-N 429.900 5.155 0 40 IKAB COc1cc(C(=O)N(C)[C@@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc(OC)c1OC 15670873 ACIYVRFRQXUMPL-VWLOTQADSA-N 444.531 5.364 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(OC(F)(F)F)cc1 15982134 WUEONIGRNMSXBW-UHFFFAOYSA-N 445.422 5.274 0 40 IKAB CCCC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1ncn2C(=O)CCC 16777701 JHDVXYRIHOMHHD-UHFFFAOYSA-N 425.341 5.231 0 40 IKAB COP(=O)(OC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccccc1Cl 16806372 IKDLSHGGQINTDV-UHFFFAOYSA-N 427.224 5.372 0 40 IKAB Cc1cc(Oc2ccc(Cl)cc2Cl)nc(Oc2ccc(=O)n(-c3ccccc3)n2)n1 16887155 AVBHBFZQSYRVIY-UHFFFAOYSA-N 441.274 5.222 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 17098352 HXUQYLOOIKADED-UHFFFAOYSA-N 433.364 5.051 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 17299402 FRWQFJKBPFSBNK-FAJYDZGRSA-N 438.405 5.945 0 40 IKAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521202 YBZTZXMVTFZQIT-MRXNPFEDSA-N 435.553 5.018 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccc(C)cc3)n2)cc1OC 19641023 FGSFHKPIKHRXPT-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB Cc1ccc2oc(C(=O)N3CC[C@H](c4nc(N(C)C)ncc4-c4cccc(F)c4)C3)cc2c1 19695091 XMVHLYNBHMSZKI-SFHVURJKSA-N 444.510 5.033 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 19864043 ZQDQTBRVRBLLEB-MUUNZHRXSA-N 439.559 5.112 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OCC)cc4)nc3c2)cc1 20610245 MBGLUCQTTCIZCA-UHFFFAOYSA-N 430.508 5.250 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 20889135 DNLANODDIGHVEI-UHFFFAOYSA-N 434.561 5.122 0 40 IKAB CCCN(CC(=O)N(CC)c1cccc2ccccc12)Cc1nnc(-c2cccs2)o1 21582495 FGFGKNXKQJBAPZ-UHFFFAOYSA-N 434.565 5.216 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1 22412311 LHYJLFWBWCMVKV-UHFFFAOYSA-N 442.349 5.500 0 40 IKAB CCN(CC)[P@]1(=Nc2ccccc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693772 DOQOWYAHYCBBEV-YDGFMLSUSA-N 435.556 6.570 0 40 IKAB CN(Cc1ccccc1NC(=O)Cn1c(C(F)(F)F)nc2ccccc21)C1CCCCC1 32894173 PHKXRMDSKXONEP-UHFFFAOYSA-N 444.501 5.458 0 40 IKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2nnc(-c3ccsc3)o2)c1 32908291 URWARDWIINGREE-UHFFFAOYSA-N 439.924 6.124 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1Cl 34965791 JWNQDTUABAYSQZ-LLVKDONJSA-N 425.779 5.743 0 40 IKAB CC[C@@H]1CCc2c(c(-c3ccc(NC(C)=O)cc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325616 HSJQQHQPGUWCLB-QGZVFWFLSA-N 444.966 6.190 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)C1=O 35353075 QTGJPKKAKGOUKT-LFVJCYFKSA-N 447.556 6.264 0 40 IKAB O=C(COc1ccc(Br)cc1Br)N1CCC[C@@H]1c1cccs1 36775947 JVKQPPKYNZHXBA-CYBMUJFWSA-N 445.176 5.016 0 40 IKAB O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 42384860 NUCHACCEZXUJAP-LBPRGKRZSA-N 428.457 5.082 0 40 IKAB CCCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 44803731 KATSPWMDYAOCDT-HNNXBMFYSA-N 442.922 5.066 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4ccc(OC)cc4)c(=O)c4ccccc34)n2)cc1 67245183 RESVNQRTXJEQOC-UHFFFAOYSA-N 439.471 5.115 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3C)oc12 67295950 FFELAKUTWUFGRA-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 72193893 WHIOKINTASSRPX-XMMPIXPASA-N 440.326 5.309 0 40 IKAB O=C1N=C(Nc2cccc(Br)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401600 XVFFHLLLTBPWGO-SXGWCWSVSA-N 426.295 5.009 0 40 IKAB O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccs1 101373340 BRHVXVCDVNHEPY-SIBVEZHUSA-N 440.568 6.708 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)c1 113963125 RTTMZQXWZHEYBW-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 223163907 OLTQYFFIYKHZFU-JOCHJYFZSA-N 445.003 5.221 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223481732 SJKWFTWEMLQKNO-AREMUKBSSA-N 432.539 5.055 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223825997 CATOOWRQMFEEOY-JWQCQUIFSA-N 440.572 5.448 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)c(C)c1 223969575 CPUUXDPBPSWWJD-QHCPKHFHSA-N 440.540 5.124 0 40 IKAB CC1CCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)CC1 223988388 XDVOVTIEHUQDMT-UHFFFAOYSA-N 443.060 5.770 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 224026126 NUGNRVWGIKEHPY-QHCPKHFHSA-N 445.003 5.005 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)c1 224084528 AHDWONVFDUBOBP-MOHJPFBDSA-N 448.588 5.055 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COc1cccc(C)c1 224387833 SVBIXXFHKOPFKV-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 224806492 MTZWSIWZNYTSKK-IBGZPJMESA-N 429.004 5.340 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225135414 NWMOKCRDLIZQPU-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 225340771 IGWHPFNTBRXLQB-JWQCQUIFSA-N 446.620 5.963 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)cc1 225512047 HYQUUANFGRZBKE-VWLOTQADSA-N 429.589 5.506 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225518116 QDEMPIJSQMEOKY-SFHVURJKSA-N 433.017 5.073 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 225535654 VTDUWBOGALCBRF-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 225547631 FWOJZRKCVOWRCR-ZJSXRUAMSA-N 440.653 5.340 0 40 IKAB COc1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c2cccnc12 225769818 KBCLLCGMNVVOCQ-DEOSSOPVSA-N 427.573 5.936 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225908791 OYJZIIIQSMPKMV-ZDUSSCGKSA-N 432.178 6.151 0 40 IKAB CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4cccc(F)c4)c3)nc2c1 226308148 JLHDXMOZWSCMSR-UHFFFAOYSA-N 426.309 5.856 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@@H](c3cc(-c4ccccc4)cc(C)n3)C1)CCCC2 257204137 ATDUZVSYZKPXPP-OAQYLSRUSA-N 428.580 5.172 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c1 257248959 JFZKXZCHIIKEGT-UHFFFAOYSA-N 444.506 5.625 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 257306094 SSWYLCSDHPCXHK-UHFFFAOYSA-N 427.592 5.100 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3ccccn3)CC2)c1 257330970 XQVLPHMFEBQQLL-UHFFFAOYSA-N 441.619 5.407 0 40 IKAB CCOc1ccc(Br)cc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@H](CC)N21 260784337 VVKUIRPLTNWJSY-GDIGMMSISA-N 432.387 5.222 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(C)cc2C)cc1 408618430 KHNAUTJFNORZQW-UHFFFAOYSA-N 442.625 5.036 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c2C)cc1 408670434 PXVJBQVUEQXPBA-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c(C)c1 408694767 MJZSVHRFWUWCSM-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725409 OPVCPDPNYIFTHU-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2sc3ccccc3c2Cl)cc1 408845342 WBNQXHNHUMYFGP-XMHGGMMESA-N 445.931 5.793 0 40 IKAB CC(C)c1ccccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409109253 AMCNOBQBCBXZJX-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409115908 JRCOXXYNKDGPKU-UHFFFAOYSA-N 425.550 5.390 0 40 IKAB CN(C)c1nc2ccccc2cc1CN1CCC(c2cccc(Nc3nccs3)n2)CC1 2037834689 DCWGNWUEFSCKGA-UHFFFAOYSA-N 444.608 5.276 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(O)c(Cc4ccccc4)c3)cc2Cl)CC1 2037873695 FQTPUEXKTFOAAM-UHFFFAOYSA-N 449.982 5.031 0 40 IKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)c2ccccc2Cl)Cc2ccccc21 2037884902 HCPWWTCGYUPXEX-UHFFFAOYSA-N 441.015 6.326 0 40 IKAB COc1cc(Br)c(Nc2nc(-c3ccncc3)cs2)c(Br)c1 853336 BTLCXUHZJOJQID-UHFFFAOYSA-N 441.148 5.482 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3cccc(C)c3C)C3CCCCC3)cc2c1 920150 CBQVUWNRLWKLIL-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)/C=C/c3ccc(OC(C)C)c(OC)c3)n2)cc1 959394 NEDCVFGMUSCQIM-NTUHNPAUSA-N 438.549 5.657 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CCCOc1cc(C)ccc1C 1779140 PFTBVEBALVHVPV-UHFFFAOYSA-N 437.561 6.006 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)O)c(C)c2c2occ(-c3ccc(Br)cc3)c12 2160437 XZCMRWJSGHHOPB-UHFFFAOYSA-N 427.250 5.213 0 40 IKAB biogenic CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(F)cc1C)c1ccccc12 2685533 YEEOEHSCEKDQPE-UHFFFAOYSA-N 441.480 5.319 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\N=C(c3ccccc3Br)OC2=O)c1 2739715 MIVPOFOIOIMMRJ-STZFKDTASA-N 448.316 5.681 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 3294947 XAOBNIVASVUCLT-FQEVSTJZSA-N 439.462 6.121 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3364585 OIAQZVHUZNHVGC-QMMMGPOBSA-N 431.732 5.155 0 40 IKAB CCCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 4291175 OJYASGPSCYHQPJ-HSZRJFAPSA-N 431.540 5.165 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 6146072 CAERDSISUHPWEA-UHFFFAOYSA-N 426.513 5.221 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2ccccc2N2CCCCC2)c1 6613486 QKLCIQXDZQCWRC-UHFFFAOYSA-N 425.598 5.001 0 40 IKAB O=C(Oc1ccccc1)c1ccc(COC(=O)C2c3ccccc3Oc3ccccc32)cc1 8383520 FYQATTMOQGLLEI-UHFFFAOYSA-N 436.463 5.887 0 40 IKAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)sc2c1CCCC2 8592916 IQFHQUCEMLTHHH-CYBMUJFWSA-N 430.570 5.195 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)ccc1Br 8664895 DBKAUIYGVNNSIB-UHFFFAOYSA-N 435.277 5.178 0 40 IKAB aggregator Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)c1 8735799 YINYJTFSITVRFJ-UHFFFAOYSA-N 439.386 7.402 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CC1=O 8752581 XPPQFZAOPVXNOK-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 8845301 FOJNJWPQEHICKP-VWLOTQADSA-N 443.503 5.300 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 8862441 VMFNSFWOAWMFOG-NRFANRHFSA-N 432.549 5.229 0 40 IKAB CCCCC[C@H](O)/C=C/[C@@H]1CCC(=O)[C@H]1CCCCCCC(=O)NCc1cccnc1 8964854 VSELIJPMEWRSMX-QERHPYCSSA-N 428.617 5.131 0 40 IKAB biogenic COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)cc1Cl 9128255 HRHHTWCKMCBILS-QHCPKHFHSA-N 446.890 5.434 0 40 IKAB CCCCCN1C(=O)N(c2cccc(C)c2)[C@H](N(O)C(=O)Nc2cccc(C)c2)C1(C)C 9244368 SPPNSABZNNSWHM-JOCHJYFZSA-N 438.572 5.764 0 40 IKAB CC(C)c1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308803 XYWBWHPBOCBHCB-ISKFKSNPSA-N 446.392 7.069 0 40 IKAB Cc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1C 9309596 UVVVCSPWPXQLJT-UHFFFAOYSA-N 432.571 6.964 0 40 IKAB CCOc1ccc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 9391758 UBLOLWWBMXTZGZ-UHFFFAOYSA-N 444.600 6.436 0 40 IKAB COc1cccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSC2CCCCC2)c1OC 9444043 FYNDNNAZAHVJLE-IBGZPJMESA-N 444.622 5.509 0 40 IKAB O=C(CSc1ccccc1C(=O)Nc1ccc(-c2nccs2)cc1)NCc1ccco1 9544416 JBKNDGFVVWFLJP-UHFFFAOYSA-N 449.557 5.064 0 40 IKAB COc1ccc(C(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1 9578076 RXXOFSIJBXBSDM-UHFFFAOYSA-N 439.587 5.621 0 40 IKAB COc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)cc1 9674139 UJJWYPIZGDERRG-UHFFFAOYSA-N 436.562 5.248 0 40 IKAB CCCCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1 9805462 FPDZYTUJTPOERS-XIEYBQDHSA-N 427.500 5.789 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 9994990 YMSMHRMJYSMFAV-OAHLLOKOSA-N 442.581 5.263 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 10218478 VCSYHJOYWSQOID-UHFFFAOYSA-N 435.545 5.189 0 40 IKAB CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 10337626 FMQMYBLLFAJQRF-UHFFFAOYSA-N 448.519 5.197 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cc(OC)c(O)c(OC)c3)on2)cc1 12154155 ZXXDPVQWMQOYCL-NRFANRHFSA-N 438.524 5.190 0 40 IKAB COc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC 12185715 WSGWUZVUVXPTAE-NRFANRHFSA-N 440.515 5.624 0 40 IKAB CCc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C3CCC3)cc2c1 12493732 VHWSKGHFWCUHRU-UHFFFAOYSA-N 436.939 5.508 0 40 IKAB Cc1ccc(C)c(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=O)c3ccccc23)c1 12896442 NMIQZXBKTJJUEA-UHFFFAOYSA-N 440.572 5.380 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)N1c2ccccc2Sc2ccccc21 13717106 CPCKDAUTDITVIW-UHFFFAOYSA-N 426.994 6.586 0 40 IKAB COc1cccc([C@@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13995358 UQYJHHINUISCIB-XCLFUZPHSA-N 443.956 5.015 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl 14273029 DFYDERUVZCKPPK-MDWZMJQESA-N 441.314 5.906 0 40 IKAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)cc12 16045095 QRGJOCWVERNYGQ-MPVQEXEOSA-N 433.621 5.789 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(O)c1)c1ccc(Cc2ccccc2)cc1 17189680 GQDNXPIZELABCF-UHFFFAOYSA-N 436.536 6.512 0 40 IKAB CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4ccc(OC)c(OC)c4)CC3)noc2n1 19522097 WLDQDOSYBBGKJO-UHFFFAOYSA-N 449.473 5.201 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 19637672 CKSZULZTDOCEPM-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB Fc1cc2c(c(CSc3nnc(C4CCCCC4)o3)c1)O[C@@H](c1ccccc1)OC2 23588215 IFXMFKOASFENAN-QFIPXVFZSA-N 426.513 6.157 0 40 IKAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F 24957504 JHOSOMGLQLYBLP-SFHVURJKSA-N 444.506 5.966 0 40 IKAB Nc1c(Cl)cc(NC(=O)c2cnn(-c3cccc(Cl)c3)c2C(F)(F)F)cc1Cl 25392384 CAAVWVPFODVUKR-UHFFFAOYSA-N 449.647 5.686 0 40 IKAB Cc1ccc(SCCNC(=O)c2cccnc2SCc2c(C)noc2C)cc1C 27576162 SMPPXYBEWLEJQL-UHFFFAOYSA-N 427.595 5.118 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nc3ccccc3c2=O)cc1F 29740204 QVHWFWPSWCWXFC-AWEZNQCLSA-N 448.479 5.330 0 40 IKAB COC(=O)[C@H](N)Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 31947079 MCHCARFNAUXEMK-HHHXNRCGSA-N 437.539 5.100 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@H]21 34138852 COEVEHAWLCVMMA-RDGATRHJSA-N 434.923 5.990 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 34687441 FERAECNZNJWECA-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 34784071 CGGPBILUIKWDCV-UHFFFAOYSA-N 437.952 5.477 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)cc3C)o2)cc1C 35405178 NNACNXKOWBLLFO-UHFFFAOYSA-N 443.366 5.761 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Br)cc2)c2c(-c3ccc(F)cc3)noc2n1 36613374 YFTUFFHWXAIFKI-UHFFFAOYSA-N 426.245 5.352 0 40 IKAB CN(C)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)c(C(F)(F)F)c1 40087967 YMDIWWIAFGHCPJ-UHFFFAOYSA-N 439.890 5.730 0 40 IKAB CC(C)(C)c1ccc(COc2ccc(Br)cc2-c2nc3ccccc3[nH]2)cc1 41005213 ZZELUCMPDUYUJE-UHFFFAOYSA-N 435.365 6.869 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 44906085 OELIFZZXEIJUFJ-KRWDZBQOSA-N 447.450 6.380 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)c1 49001781 OOFVFJZTHXRALS-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 57312850 FPCXHLVTISNECX-UHFFFAOYSA-N 443.297 5.091 0 40 IKAB COc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 57720645 HAAVOKDFJBPAJB-UHFFFAOYSA-N 436.943 5.285 0 40 IKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 58135489 GHFVPNHSFMTSCF-FCHUYYIVSA-N 436.577 5.529 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1 58356261 RAVXMLLYBQFYJD-RUZDIDTESA-N 425.532 5.535 0 40 IKAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 59457319 KDXQIXWWNWLGDZ-MHWRWJLKSA-N 435.368 5.277 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)c1 67258944 YIXDTOFTSHFOAF-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C)c4C)nccn3n2)cc1 67290496 SRHQRQRGTMFHJR-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB O=C(c1ccccc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 72378311 KPIQDIMOFCLTAR-OAQYLSRUSA-N 429.442 5.027 0 40 IKAB Cc1cc(C(=O)Nc2ccc(N(C)C(=O)c3cc(C)sc3C)c(Cl)c2)c(C)s1 78899379 KDTFYSJRPSWVAV-UHFFFAOYSA-N 432.998 6.226 0 40 IKAB Cn1c(CCc2nc3cc(C(F)(F)F)ccc3n2C)nc2cc(C(F)(F)F)ccc21 82086834 KZKPEQNPSCEUAZ-UHFFFAOYSA-N 426.364 5.283 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccc(OC)c5)cc34)co2)cc1 96154288 DKKAMELBFUUVLQ-UHFFFAOYSA-N 441.443 5.419 0 40 IKAB O=C1Nc2ccc(Cl)cc2[C@@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 101494008 LBKJOPAQNVIGJN-QFIPXVFZSA-N 443.330 6.539 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 102676544 KVALJVQIKPOBBW-LXQWYYQBSA-N 447.531 5.964 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 102717383 LIEWMCGEEMYSGL-YTFSRNRJSA-N 432.907 5.008 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)c1 108199832 AKXVBAMETHHFHK-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216258711 OFMXAZJYJHEJFP-NRFANRHFSA-N 431.001 5.912 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222783558 GBXVRWBCKXRPMN-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 223041814 QKBOOBDKHBIVHF-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 223708338 DRRVBSQSGQKHNT-QHCPKHFHSA-N 440.653 5.075 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224053703 MRDMFCVTQGBEJE-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224177341 QLAIPRYHAFAXMH-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)c1 224245754 NEUJZRZJRKFZIY-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc2ccccc2c1 224311993 FOBXSZWOIYAGPV-UHFFFAOYSA-N 433.507 6.833 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COc1ccccc1 224363500 MHRDTHBNEUPDHS-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224390993 GEIQXHPDWPRNAM-UHFFFAOYSA-N 440.008 7.236 0 40 IKAB O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224537428 NLBUPXOVFHGCQN-UHFFFAOYSA-N 446.981 5.262 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)ccc1F 224894519 MHGBXJOEKVPYHW-DNQXCXABSA-N 443.551 5.200 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225201150 MWJFNSDVLOPPMB-VQTJNVASSA-N 443.031 5.728 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225495283 FPHDMLNCFMGJEL-REWPJTCUSA-N 426.626 5.199 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(C)c2)c2ccccc2)c(C)c1 225767941 UWTPOXKXSQSEMJ-QFIPXVFZSA-N 439.422 6.450 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 227620748 FTGWMAWRYWOGKN-AFYSLLKLSA-N 430.498 6.514 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3C[C@H](C)C[C@@H](C)C3)CCOCC2)cc1 257207252 BGZVNDNXWUXQNU-WOJBJXKFSA-N 439.571 5.345 0 40 IKAB CC1(C(=O)N2CCC[C@H](c3nccnc3Oc3ccccc3)C2)CCN(C2CCCC2)CC1 257329517 XKHSTYZRNNTAQV-NRFANRHFSA-N 448.611 5.020 0 40 IKAB CCOc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)cc1 408551365 CIECYUBRFSGZCD-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)cc(Cl)c1OCc1ccccc1 408612220 UYWVQDFSRZEHAC-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(Cl)cc2)cc1 408699999 YEYZPVLTPZNICD-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408808455 PRBAULBVVWUXCM-IOSRVKNLSA-N 435.613 6.528 0 40 IKAB O=C(Nc1ccc2ccccc2c1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408977691 JOPKZALSLPQREV-UHFFFAOYSA-N 446.466 6.947 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(I)c1OCC 409112430 CQOAWFLLXSXFEH-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB CCCc1sc2nc(SCc3cccc(F)c3)n(-c3cccc(C)c3)c(=O)c2c1C 409112716 BYPRWSKGSSDKLS-UHFFFAOYSA-N 438.593 6.448 0 40 IKAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Br)cc1 409263652 LXARIMFNNAWXGE-UHFFFAOYSA-N 438.730 5.696 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2N(Cc2ccccc2)S(C)(=O)=O)cc1 409319160 BHDGSOKLIMKZNW-UHFFFAOYSA-N 436.577 5.248 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 409380838 ITEWWPJAYDICQQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(Cc3cccc(F)c3)n2)c1 585265225 JNIBZYYIZZVXTM-UHFFFAOYSA-N 427.475 6.064 0 40 IKAB COc1ccc(C(=O)N2CCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 643587381 BKDSZWCNHTTZDV-UHFFFAOYSA-N 436.596 5.681 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc21 643588423 FQKHXKKAEIQRNL-UHFFFAOYSA-N 447.406 6.343 0 40 IKAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@@H](c2cccc(Cc3ccccc3F)n2)C1 1848355610 QFBTXRXJQPBCSV-XMMPIXPASA-N 449.913 5.160 0 40 IKAB CSc1nnc2c(n1)O[C@@H](c1ccc(OC3CCCC3)cc1)N(C(C)=O)c1ccccc1-2 684150 VOTRKNKCIWVDKB-QHCPKHFHSA-N 448.548 5.026 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(C)c3)cc2c1 884806 PIKCAOPOKQNXDV-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB COc1ccc(C(=O)N(C)[C@@H](C(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 973593 PTKGOFGCYRLKJP-HSZRJFAPSA-N 436.939 5.417 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2cc(OC(=O)c3ccc(F)cc3)ccc2c1=O 1448173 KVJWWVNIYWDIFX-UHFFFAOYSA-N 434.419 5.651 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2csc3c2CCCC3)sc(C)c1-c1ccc(F)cc1 2107595 JOQPWAAWAQAPTR-UHFFFAOYSA-N 443.565 6.232 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1Cl 2338317 QEQAAJKJEJGXJB-UHFFFAOYSA-N 448.979 6.016 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccccc2)cc1 2451362 BJSKRYAMFNCFBZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1cccc(Oc2ccccc2)c1 2645522 BTROWKJQEAMOMJ-UHFFFAOYSA-N 448.338 5.441 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccccc2)c(C)n1C 2660790 JUVRJKDILNTWFC-UHFFFAOYSA-N 434.540 5.063 0 40 IKAB Cc1cc(OCCOc2ccc(/C=C3/N=C(c4ccccc4)OC3=O)cc2)ccc1Cl 2946373 HGZUZUMNKBYPRW-XQNSMLJCSA-N 433.891 5.451 0 40 IKAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1c(Cl)cc(Cl)cc1Cl 3239184 IVRDQXKSBMXHHO-UHFFFAOYSA-N 427.498 5.749 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3286223 WHLNTMWMMFEHKY-UHFFFAOYSA-N 444.556 5.884 0 40 IKAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1cccc2ccccc12 3300725 WLLFIPJWRBAZQV-UHFFFAOYSA-N 447.494 5.488 0 40 IKAB CCOc1ccc2c(c1)S[C@@H](c1ccc(N(C)C)cc1)C=C(c1ccc(OC)cc1)N2 3846942 GVSVDYLFQFMYIB-RUZDIDTESA-N 432.589 6.460 0 40 IKAB biogenic Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)CCCC(C)C)n1-c1ccccc1 7941639 WMCKTHRPVBNEAG-KRWDZBQOSA-N 426.586 5.259 0 40 IKAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(Cl)c1 8612010 CFHTWNHWUPBLLL-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8755323 LWACZBVHEMEYTF-JOCHJYFZSA-N 439.559 5.588 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1c(F)cccc1Cl 8856392 NUFIELXFXLBACU-UHFFFAOYSA-N 429.875 5.085 0 40 IKAB Cc1ccc(Cl)cc1-n1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 8871028 BVWQZESRPXURTH-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)c(C)c1 8915494 HLZBGVVDXILFPU-HXUWFJFHSA-N 436.379 5.505 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CCNC(=O)OCc4ccccc4)cc3)sc2c1 8989883 KTTGFDNZXJCATL-UHFFFAOYSA-N 445.544 5.527 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1)c1ccccc1 9095480 VRNACSGFKGIXEY-UHFFFAOYSA-N 446.557 5.335 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(N3CCCCC3)cc2)n1 9222711 AZRAXHHBRGZYPT-UHFFFAOYSA-N 432.593 5.628 0 40 IKAB CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccccc3N)c2)cc1 9465385 ODUPFFABHDKGOK-QCWLDUFUSA-N 442.559 6.719 0 40 IKAB COCCCn1c(SCc2nc3ccccc3s2)nnc1-c1ccc(Cl)cc1 9585309 OOCKZDRIRHTCBH-UHFFFAOYSA-N 430.986 5.537 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3nc(-c4cccs4)no3)ccc2OC)cc1 9610078 BDJAREUSMMRRAR-UHFFFAOYSA-N 435.505 5.054 0 40 IKAB CNC(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Oc4ccccc4)c3)n2)c1 9730318 JXUGPVMQHJKCQW-UHFFFAOYSA-N 443.528 5.143 0 40 IKAB COc1cc2c(cc1NC(=O)c1c(C)nn(-c3ccc(F)cc3)c1Cl)oc1ccccc12 9960352 LEKZEDQXKRKQJI-UHFFFAOYSA-N 449.869 6.134 0 40 IKAB COc1ccc2c(c1)CCCN2C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 10542265 MJUJRXNATNOPKE-UHFFFAOYSA-N 425.484 5.370 0 40 IKAB C[C@@]12CC3CC(CC(=O)Nc4ccc(Oc5ccc6c(c5)OCO6)cc4)(C1)C[C@](C)(C3)C2 12402572 RRRTZONZVFZPRT-GVGIJBBXSA-N 433.548 6.533 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccc(Cl)nc2)cc1 12409359 XWLPPXXCVKRHCV-UHFFFAOYSA-N 445.972 5.128 0 40 IKAB Cc1cccc(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccc(Br)cc2)c1 12484656 UYAMWHCOHOOQRX-UHFFFAOYSA-N 428.351 5.919 0 40 IKAB CO[C@H]1C=C2CC[C@H]3[C@@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 12659644 BNOQCYMVNKKTQV-GPZVHATJSA-N 430.658 5.221 0 40 IKAB O=C(O)CCn1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)c(-c2ccccc2)n1 12661196 KYLOMUHBOLWKEF-RUZDIDTESA-N 436.515 5.381 0 40 IKAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2oc3c(ccc4ccccc43)c2C)c1C 12857776 QPAUSMYITOBCBN-OAHLLOKOSA-N 433.460 5.054 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1 12901054 PXXBRKGHDLWVRK-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)c3cccc(Oc4ccccc4)c3)sc2C)cc1 13015075 GWQFDMFNVODLLP-UHFFFAOYSA-N 430.529 6.562 0 40 IKAB CCn1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccc(F)cc2)c1=S 13073105 GLCJPPBJSNNGND-UHFFFAOYSA-N 425.360 5.636 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2cccnc2)cc1 13566055 OLGMBWBNNGGJIK-UHFFFAOYSA-N 429.951 6.051 0 40 IKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccc(F)cc1 13628166 FVQLLNYUBVNPCI-UHFFFAOYSA-N 439.442 6.086 0 40 IKAB O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 13677630 GQSFCRLLNIXFDZ-HXUWFJFHSA-N 446.572 5.140 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nnc(C)s2)[C@H]1c1ccccc1 13942515 QTGCSJQAILOSIR-FQEVSTJZSA-N 435.578 5.065 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 14739629 YXFUMZZJAAFEFZ-UHFFFAOYSA-N 434.989 5.199 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1cccc(F)c1)CC(=O)N2 15106715 JPVAQWLGYXSPRI-INIZCTEOSA-N 448.441 5.941 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccc(C2SCCS2)cc1 15787725 ZSPBPCAHUMFPEM-HXUWFJFHSA-N 433.042 5.386 0 40 IKAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 16688699 ZSEPTJLKIKHHFG-UHFFFAOYSA-N 434.338 6.400 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN12 16739440 NLHHBFZBCHICLP-RDGATRHJSA-N 434.923 5.990 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 16751131 AFFAISRWTZNPIX-XMMPIXPASA-N 425.484 5.327 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccccc3)n2)c1 16842932 ZVXFZBRZLJJUNS-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 17095936 VKXWXMDTWXAPFK-GOSISDBHSA-N 428.532 7.049 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 18033228 SBXXZWYDZDXGMP-CYXNTTPDSA-N 434.495 5.199 0 40 IKAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)c(F)c2)nc(C2CC2)n1 19214467 ZGTFRBSUCZCDMF-JOCHJYFZSA-N 443.526 5.038 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)c1 19401735 GSXDVKOVIKTBSD-XMMPIXPASA-N 440.526 5.544 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cc(C(C)C)on3)cc2N1 19520621 XPEWYRSEPXAZOX-RPVQJOFSSA-N 439.482 5.060 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 20034996 VRKNOJGLQVZWIT-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCC2 20152221 JRVAWBJUVPJELV-UHFFFAOYSA-N 445.357 5.521 0 40 IKAB CCOc1cc(CNCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 22076698 IDUPGIPFIGWFFS-UHFFFAOYSA-N 430.375 6.569 0 40 IKAB CCOc1cc(CN[C@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 22784129 WTLTXOALKRTCNW-GOSISDBHSA-N 438.955 5.607 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(OC)c(Cl)c2)c2c[nH]c3ccccc23)cc1 27746134 UOUDBTVFMAZIHJ-HXUWFJFHSA-N 434.923 5.400 0 40 IKAB CCSc1ccccc1NC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)cc1 30857500 JZQLEQMGHYEPLJ-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccc(Cl)cc1 33559881 FTPZVOVRNUNHEZ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(=O)Nc1sc(NC(=O)COc2ccc(Cl)c(C)c2)nc1-c1ccc(C)cc1 35671503 BTUVDPUYLBAYHT-UHFFFAOYSA-N 429.929 5.056 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(F)c(F)c1F 35684910 VHDLSNPYQYWDDZ-AWEZNQCLSA-N 434.805 5.101 0 40 IKAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36358020 VZEYXXIRHMESLQ-HSZRJFAPSA-N 443.522 5.615 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36359723 CERRECGFLDXPIM-UHFFFAOYSA-N 446.938 5.118 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21 39748660 KHBIWIORDMRKRJ-UHFFFAOYSA-N 445.994 6.319 0 40 IKAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44852573 RCUKBULYLVQKDD-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CC(C)(C)O2 44855280 SIKJKYXOZMGNLB-SANMLTNESA-N 440.587 5.586 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4cccc(OC)c4)c(=O)c4ccccc34)n2)cc1 67245193 CCLDWXVIWKVAFR-UHFFFAOYSA-N 439.471 5.115 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 72330448 JOEJFBSVOQAJAR-ZEVQAIKDSA-N 431.624 5.635 0 40 IKAB CCN(CC)C(=O)c1c[nH]nc1[C@H]1CCCCN1C(=O)c1cccc(-c2ccc(F)cc2)c1 72351360 BQXCNCNUQSUSMV-HSZRJFAPSA-N 448.542 5.065 0 40 IKAB Cc1ncc(CNCCc2ccccc2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95475627 WLZMKQOJPHVUBR-UHFFFAOYSA-N 449.348 5.462 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)c(F)c1 96037745 IJSXQHYFSWTPLN-UHFFFAOYSA-N 426.495 5.722 0 40 IKAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc12 100156324 SZDFAYPEPDIBQX-CALCHBBNSA-N 447.560 5.664 0 40 IKAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 102343709 JLYCXJWRLSBINT-XZOQPEGZSA-N 443.591 5.112 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1OCC 214346527 GKEJIKTWMKWXST-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1C 218885920 SDDZKODCGDLQGH-HXUWFJFHSA-N 432.402 6.010 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750911 NFKCYXONVQNRGZ-SFHVURJKSA-N 447.044 5.463 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 223106721 ODPNTXZQJNEOKU-QHCPKHFHSA-N 449.978 6.731 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C 223472924 NEOGCLBSZXSKHU-LOSJGSFVSA-N 439.588 5.057 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 223668387 NEELQNYYMTXZNA-JOCHJYFZSA-N 445.003 5.003 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224077804 UBYDMOPBEFIYAA-YADHBBJMSA-N 434.565 5.063 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 224086475 BNTWOODGMPRPAK-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C(C)(C)C)cc1 224183250 JTQXOJNXZBLDSQ-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 224194305 XBEBKFKQHAEEEA-YADHBBJMSA-N 445.617 5.431 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)c1 224232585 QMQMVMAYKAOIRB-FTJBHMTQSA-N 444.648 6.491 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)c1 224289985 AUFQBFIHBYWUKP-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224636758 NVVPDWKJTPQDQS-DEOSSOPVSA-N 441.015 5.181 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccccc1Oc1ccccc1 225314820 HOFXSQYLFSIZLY-MOHJPFBDSA-N 438.483 5.790 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 225554728 HKBOYYXRQSLAAX-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(OC)c1 226337126 YUSLGJZCVPIUNS-RMKNXTFCSA-N 425.706 5.266 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)/C(=C\c3cccc(Br)c3)C[C@H]12 253497506 NKLBOHZLKULONG-QXXYAGPISA-N 443.469 7.236 0 40 IKAB biogenic O=C(COc1cccc(CNc2ccc(Br)c(Cl)c2)c1)Nc1ccccc1 408557368 MZGLVACSLRRBGS-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)c1 408986551 MYBMVVRYTVRGTJ-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB O=C1S/C(=C\c2cccn2-c2cccc(Br)c2)C(=O)N1Cc1ccccc1 409018831 ZLOPXBFJZBTMSG-UYRXBGFRSA-N 439.334 5.476 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)c2ccccc21 409117867 PERGNSZAFBKUPY-UNOMPAQXSA-N 437.898 5.974 0 40 IKAB Brc1ccc(COc2ccc3ccccc3c2-c2nc3ccccc3s2)cc1 409194567 PRSQKUGOQRQIDI-UHFFFAOYSA-N 446.369 7.458 0 40 IKAB O=C(O)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409340344 VOXSGNNHTRYGCK-AREMUKBSSA-N 434.495 5.751 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 409411088 UHERWKZEDMHNQM-RIYZIHGNSA-N 440.952 5.410 0 40 IKAB CCN1CCCCCN(C(=O)CC2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582644 DBLWMCNGCICIKI-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC2(CC1)CN(c1ccccc1)c1ccccc12 2055739417 XEDCMWGHGGTMOD-UHFFFAOYSA-N 442.950 5.313 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(COc2ccc3ccccc3c2)n1C 898631 GELPABFRQWJSPB-SFHVURJKSA-N 446.576 5.283 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1 1258936 PAYZZBVUSYHHTN-UHFFFAOYSA-N 433.533 5.668 0 40 IKAB CCOc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 1358591 GFMMABXXRHXFGE-UHFFFAOYSA-N 440.543 5.386 0 40 IKAB CCCN(CCC)C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1 1445244 NEOVNFZBFODWMD-UHFFFAOYSA-N 435.387 5.487 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 1838909 LUTVREOTUYVIKD-VWLOTQADSA-N 435.907 5.535 0 40 IKAB COc1ccc(CN(CC[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 1882492 NHUADAMKWCCPMV-GDLZYMKVSA-N 445.603 6.362 0 40 IKAB biogenic Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 2079668 UDBRZUFCIZLMPH-UHFFFAOYSA-N 436.507 6.281 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(N(CC)CC)cc3)c3ccccc3n2)cc1 2086243 ZVECYONOYFTTIJ-UHFFFAOYSA-N 439.559 6.399 0 40 IKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2207605 DZPBDMXGLOBEDH-HVNZXBJASA-N 436.536 6.592 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(Cl)cc1Cl 2218864 LZXUFGVWVJZWFK-UHFFFAOYSA-N 443.286 5.828 0 40 IKAB CCc1cc([C@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551852 MHLDTHPTJKJPHY-QHCPKHFHSA-N 439.024 6.792 0 40 IKAB O=C(Nc1cccc(Cl)c1)C(=Cc1ccccc1F)C(=O)Nc1cccc(Cl)c1 2634557 BLRZRDMSYSVMJA-UHFFFAOYSA-N 429.278 5.793 0 40 IKAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)ccc3Cl)s2)cc1 2887618 KQHAHMASNPNOPI-UHFFFAOYSA-N 436.364 5.490 0 40 IKAB O=c1c(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cccn1Cc1ccccc1 3041827 ZHQDWRKFEYOOCM-UHFFFAOYSA-N 444.343 5.546 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3226471 KEWPFEZLBVHNFC-UHFFFAOYSA-N 445.987 6.048 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccc(C)cc4)ncnc32)cc1 3658743 OSZQCTIWUHEQMH-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1Cc1ccccc1 4033514 AMCZVKKROKBONS-QFIPXVFZSA-N 425.532 5.022 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146961 JVGYLJAWYIPVEX-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccccc3Cl)cc2c1 6408075 MMOJYKSWNSKPOO-UHFFFAOYSA-N 444.984 5.014 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 8657349 WNLOVFKNUZDYTH-OAQYLSRUSA-N 425.532 5.231 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc12 8790365 KPUSQYBWZXSVJI-UHFFFAOYSA-N 442.515 5.237 0 40 IKAB biogenic CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c(C)c1 8831348 ZBLSBNJJWUPINA-UHFFFAOYSA-N 441.984 5.881 0 40 IKAB COc1ccc(N2C(=O)[C@H](CSc3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 8888273 PXQZVWQDPVVHKV-RPBOFIJWSA-N 431.601 6.489 0 40 IKAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nc(C)nc2sc(C)c(C)c12 9112000 OXDHNFSWCFWXKW-UHFFFAOYSA-N 425.535 5.296 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCC[C@@H]1c1cccs1 9245081 NCAWKFUDVYIDFW-QGZVFWFLSA-N 437.615 5.876 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(Cl)c1 9307103 JRIXLFCGCXQCAC-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(Br)cc2)N1c1ccccc1 9362756 RWRMEGDXKXIYGJ-QFIPXVFZSA-N 448.295 5.728 0 40 IKAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cc2ccccc2)cc1 9366835 WPPAMEFLJBATOT-UHFFFAOYSA-N 435.549 5.813 0 40 IKAB Brc1c(OCCCN2CCCC[C@@H]2c2cccnc2)ccc2ccccc12 9410982 DZPPULQLLRCPBO-OAQYLSRUSA-N 425.370 5.993 0 40 IKAB biogenic O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccco1 9518370 FEBPTYDJXJWVSV-UHFFFAOYSA-N 430.338 5.429 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N[C@@H]1CCCc2ccccc21 9612633 JQXQTUNVQIKZGI-HSZRJFAPSA-N 443.547 5.722 0 40 IKAB CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 10381548 HSUSAKBLJXRJJM-UHFFFAOYSA-N 446.985 5.344 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccc(Cl)cc3Cl)o2)CC1 11903939 BWNLBNKAILWLJU-UHFFFAOYSA-N 444.384 5.783 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccccc1)CCCC2)c1ccc(Br)cc1 12484579 DLYBWMQGCAQRSY-UHFFFAOYSA-N 440.362 5.873 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12657478 XDVHIXRJLWUKRR-AIJTYHBWSA-N 440.624 6.136 0 40 IKAB biogenic CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnnn2C2CCCCC2)cs1 12814291 VWRJCSGKRIOZIF-UHFFFAOYSA-N 449.005 5.265 0 40 IKAB O=C(COc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 12846638 JLYBFJJPGOVWDX-UHFFFAOYSA-N 431.798 5.034 0 40 IKAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(Cl)cc1Cl 12865530 OPGFAUUUWXKMRG-NSHDSACASA-N 434.348 5.744 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CC1(CC(=O)O)CCCC1 13030085 XFVSDUGFSSZWSJ-UHFFFAOYSA-N 449.956 5.609 0 40 IKAB CCN(CC)[C@H](CNC(=O)C1c2ccccc2Oc2ccccc21)c1ccccc1Cl 13096332 VXTGXGWIYYUIMN-JOCHJYFZSA-N 434.967 5.777 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 13116981 WAXVCMPSGKPKQY-HXUWFJFHSA-N 447.491 5.135 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccccn1 13502062 OIGPRJSVMSLLFU-XMMPIXPASA-N 447.604 5.018 0 40 IKAB O=C(CSc1nccc(-c2cc(Cl)cc(Cl)c2)n1)c1ccc2c(c1)OCCO2 13643421 YZZHJYOMIVIBPJ-UHFFFAOYSA-N 433.316 5.197 0 40 IKAB CCOc1cc(C(=O)OCc2ccccc2)c(Br)cc1OCc1ccccc1 13914866 ATKDLWHPYZOJOO-UHFFFAOYSA-N 441.321 5.784 0 40 IKAB CC(C)C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 14247914 GPZOUBXOHHNRBL-JOCHJYFZSA-N 434.609 5.200 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2ccc(Cl)cc2Cl)o1 14271396 JGEBCILTNYWIEI-UHFFFAOYSA-N 449.403 5.827 0 40 IKAB Cc1sc(NC(=O)c2ccccc2I)nc1-c1ccc(F)cc1 14911213 PIWAAHCHLDLOHL-UHFFFAOYSA-N 438.265 5.115 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NC3CCCCC3)no2)cc1 15673717 FRFNJJFSBWWJFI-SFTDATJTSA-N 437.628 5.246 0 40 IKAB biogenic,in-vitro CCOC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881152 FLTUHGXRQLPVGM-UHFFFAOYSA-N 445.515 5.408 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(-c2ccccc2Cl)o1)c1nc2ccccc2[nH]1 16695589 RRGSTQCIFZBAEK-SFHVURJKSA-N 425.941 5.701 0 40 IKAB CCOc1ccc2ccccc2c1[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 17085909 JABBVOCCRBNMAF-QMHKHESXSA-N 434.605 6.305 0 40 IKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1Cl 17312411 GEBSWFFEUBOHOQ-CQSZACIVSA-N 433.766 6.750 0 40 IKAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(S)cc2)C1)Nc1ccc(S)cc1 19075398 SGFHTTZZHYPKPT-IYBDPMFKSA-N 444.626 5.014 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCN(C)C3 19939955 NNQPHFLUSPQWSF-UHFFFAOYSA-N 443.638 5.116 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20104761 AWHIGYNRICTTOA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1OC 22504619 UZJDBFHAGUGQNE-UHFFFAOYSA-N 437.521 5.002 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)cc1 22518165 UVFFAQRIXJCTRR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Nc1ccc(-c2ccc(N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 28294420 ZMGHZLREOHCVDQ-XQOSCOKLSA-N 442.518 5.332 0 40 IKAB CCCc1cc(=O)[nH]c(SCc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)n1 32117962 IOGGGQLWDSFMLU-UHFFFAOYSA-N 427.957 5.229 0 40 IKAB biogenic,in-vitro CC(C)[C@@H](NC(=O)COCc1nc2ccccc2c(=O)[nH]1)c1ccc(C2CCCCC2)cc1 32908369 CEPBYQGWJZKJNW-AREMUKBSSA-N 447.579 5.001 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc(OC(C)C)c3)n2)cc1Br 33475178 QEVGFMNCDPNPCI-UHFFFAOYSA-N 447.354 5.621 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccc(F)cc2)s1 33862965 NVQRQWDOZXFXKU-UHFFFAOYSA-N 444.340 5.294 0 40 IKAB Cc1cccc(OCCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 35146411 SWLYPZHNLMBMCQ-NRFANRHFSA-N 433.596 5.627 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 35375141 RTXYTGLWCJNSEN-UHFFFAOYSA-N 430.511 6.916 0 40 IKAB O=C(Cc1csc(Nc2ccc(Cl)cn2)n1)Nc1ccc(OC(F)(F)F)cc1 49029695 FDPJIONFLNDNCR-UHFFFAOYSA-N 428.823 5.015 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(NC(=O)c2ccoc2C)n1 58417259 IACJZCLPOXZRSX-UHFFFAOYSA-N 431.945 5.256 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)cc1 58960112 PJBFIIMZLHNACN-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1cnn(-c2ccc(Cl)cc2Cl)c1 84093416 JAZSWOCRZVEXOP-UHFFFAOYSA-N 440.290 5.322 0 40 IKAB O=C(Nc1cccnc1)c1cc2ccc(-c3ccc(C(F)(F)F)cc3)cn2c1-c1cocn1 96155511 GMAAZJIFAKTCNL-UHFFFAOYSA-N 448.404 5.927 0 40 IKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1C 100219448 ZAPHCKBFLHSFBN-IZAXUBKRSA-N 446.576 5.667 0 40 IKAB CCCOc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CC 100425592 CPGIDKYJMVXFQG-SANMLTNESA-N 432.564 6.678 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](C2)CC(c2csc(NC(=O)c5ccc(F)cc5)n2)(C4)C3)cc1 100491666 MNTAAHKIAAZLRN-BXWMAURHSA-N 446.591 6.633 0 40 IKAB Cc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 101489055 IIRONCHCTATDJY-UHFFFAOYSA-N 427.891 5.942 0 40 IKAB CCCCOc1ccc([C@@H]2N[C@@H](c3ccc(OCCCC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 105427070 OEXYIPSQUUMSJA-XDZXDJIYSA-N 435.608 6.415 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)c1 112250672 ZQHTXOPPFPGPFW-NJVGLYJLSA-N 440.547 5.282 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222846831 WDTASKXIXOXWRB-WOJBJXKFSA-N 442.382 5.485 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 223180627 RFXIAPJAIWNDER-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NCCOc1cccc2ccccc12 223510919 OTDOJBOSZQMEAL-UHFFFAOYSA-N 430.367 5.031 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C)cc1 224006076 DKQCHBDBDGGKTE-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)[nH]1 224080265 CMCYDLFZOJSPKH-DHIUTWEWSA-N 447.608 5.107 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1C 224284826 FYVBNJYBZAHGNO-RPBOFIJWSA-N 430.621 6.182 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224333689 HWSPFQVBHRIUOJ-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1Cc1ccco1 224425624 HDQKZLJSSVFVDO-BJKOFHAPSA-N 446.551 5.457 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1Cl 224475560 JZQQNIRVMMAPSD-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(OCc2ccccc2Cl)cc1 224618495 ZILSAMLCYRLFPT-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)c(C)c1 224727853 RRLJBJJDNMRZGQ-KDYMBEQYSA-N 448.588 5.412 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 224806455 MTZWSIWZNYTSKK-LJQANCHMSA-N 429.004 5.340 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224846786 HFFIDFYGZQRBOA-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB O=C(CS(=O)(=O)Cc1cccc2ccccc12)Nc1ccc2c(c1)oc1ccccc12 224952600 FFUIBZUOGXYFQN-UHFFFAOYSA-N 429.497 5.293 0 40 IKAB C[C@H](CNC(=O)c1cccc(I)c1)Cc1cccc2ccccc12 224966967 QIQXLCPKXFOAEQ-HNNXBMFYSA-N 429.301 5.053 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2c(F)cccc2Cl)s1 225042069 PUDSMLSUSNRINU-UHFFFAOYSA-N 444.340 5.537 0 40 IKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cc(Cl)cc(Cl)c1 225338665 BCMMPPAAVXWNFS-UHFFFAOYSA-N 440.355 6.360 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(OCCSc2ccccc2)cc1 225432512 BMVVBXDPPAGOLR-UHFFFAOYSA-N 431.479 5.807 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225690432 GZFYMCNJEILCIJ-JTSKRJEESA-N 449.422 5.566 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(Cl)cc1Cl 225803829 FZLZGKUCPUMBDM-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB COc1ccc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1Br 226272148 FLNPGXCVJGTCRW-UHFFFAOYSA-N 443.219 5.099 0 40 IKAB O=C(c1cccnc1)N1CCCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)nc1 257242595 IDGSVTWAFHLFRE-QFIPXVFZSA-N 425.454 5.454 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(C(=O)O)ccc2OC)cc1-c1ccc(Cl)cc1 257265831 MANLNPQMFLDKOI-UHFFFAOYSA-N 448.906 5.634 0 40 IKAB CCN(C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1)c1ccccc1 408546640 KUNBGBPZYKLTIA-UHFFFAOYSA-N 447.482 5.316 0 40 IKAB COc1ccc(CCNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 408574351 LYMRPKPFMASNCS-UHFFFAOYSA-N 441.980 5.444 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 408616994 AYSCCYZADFOYSK-UHFFFAOYSA-N 436.708 6.877 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656831 MLGVIFGJOQCYSG-QJMPUOCTSA-N 448.349 5.401 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)cc1 408697787 JMHPXOVBZSOHBD-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)CC1 408864582 YANGBUCXNMIAKU-UHFFFAOYSA-N 449.982 5.232 0 40 IKAB CCc1ccc(NC(=O)CN(c2cc(C)cc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409029012 WYBSAHCXKYTJQB-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 409179592 RRQVBYCLFMTQBO-SSEXGKCCSA-N 446.594 7.484 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409209776 HYHZZSBACXQPJV-ULJHMMPZSA-N 431.557 6.645 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1-c1cc2ccccc2o1 409328534 XDXRDCWVLUDOQL-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c(C)c1 409374340 MWVRNYBWLKUKND-CXUHLZMHSA-N 449.359 5.594 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409378455 PJZDYDJPIFTPBN-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1cc(O)nc2cc(C(=O)N3CC4(CCCC4)c4cc5c(cc4[C@@H]3C)OCCO5)ccc12 577877528 GEYQOVUILUFUHO-KRWDZBQOSA-N 444.531 5.049 0 40 IKAB CCCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)c1 2037872726 FWMAQAUUUWITPZ-UHFFFAOYSA-N 426.944 5.942 0 40 IKAB O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 678211 SOKDZISCMMLZDS-UHFFFAOYSA-N 440.450 5.082 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2)c(C)c1 887064 PGZXXJJOBXENSY-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB Cc1ccc(NCc2n[nH]c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)cc1 892436 OJPJNTUSQHBYJC-UHFFFAOYSA-N 429.549 5.182 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1cccc(OCC)c1 1438245 BMKFKKWCDDSPIR-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB CCN(CC)CCC[C@H](C)NC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1591939 GWWCVFIERSZNLX-SIBVEZHUSA-N 440.031 5.689 0 40 IKAB O=C(NC12CC3CC(NC(=O)c4ccccc4)(CC(C1)c1ccccc13)C2)c1ccccc1 1625364 YLMUKHICKOVTIO-UHFFFAOYSA-N 436.555 5.183 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 1747440 BRQPEWKSOXQHBT-MRXNPFEDSA-N 435.545 5.344 0 40 IKAB Cc1ccc(C(=O)N2c3ccc(C(C)(C)C)cc3-c3c(ssc3=S)C2(C)C)cc1 2080856 JPBUXTDBFCUCDY-UHFFFAOYSA-N 439.671 7.708 0 40 IKAB COc1ccccc1CNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 2159243 AZVVWQJQRINONX-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)cc1 2402676 DSAYFDYKVJOPPL-UHFFFAOYSA-N 440.373 5.707 0 40 IKAB biogenic N=C(CSc1ccc(Cl)cc1Cl)NNc1ncc(C(F)(F)F)cc1Cl 2512158 BRCCEJRTAIGWBG-UHFFFAOYSA-N 429.682 5.747 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCC1=CCCCC1 2664015 ICQDOFSGGOKKGM-UHFFFAOYSA-N 430.577 5.304 0 40 IKAB Cc1cc(C)cc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)c1 2714226 ZQFGRDZATJZVCE-UHFFFAOYSA-N 438.962 7.410 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2738423 LIAOUHIKEFRAJO-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 2745808 KWEJYIYDVHYWCP-UHFFFAOYSA-N 434.153 7.820 0 40 IKAB Cc1ccccc1N[C@@H](c1ccc(Br)cc1)c1nnnn1C1CCCCC1 3176243 LJUCQAQHRMPDQY-FQEVSTJZSA-N 426.362 5.451 0 40 IKAB COc1ccc(C(=O)C[C@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 3211943 KLHWCIZPLKXNSK-NRFANRHFSA-N 428.301 6.023 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1ccc(Cl)cc1 3278823 JQBYWGHADGQMTC-UHFFFAOYSA-N 444.963 5.974 0 40 IKAB O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 3658672 BXPJJZMIAAMPMI-UHFFFAOYSA-N 439.515 6.202 0 40 IKAB COc1ccc2ccccc2c1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 3767933 BQVRZSAYYBRHED-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864303 NRCBFCANQQRXIB-QZTJIDSGSA-N 443.565 5.347 0 40 IKAB CCCCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Br)cc1 4767998 XGKWZFUPQYYRKA-FQEVSTJZSA-N 440.341 5.431 0 40 IKAB CCCC[C@@](CC)(CCCNC(=O)c1cccc(F)c1)CNC(=O)c1cccc(F)c1 6051295 UGIRJADUVHWKDW-VWLOTQADSA-N 430.539 5.491 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)cc1 8395328 OKLBQGSHGVSZRL-INIZCTEOSA-N 425.554 5.345 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3C)nc3ccccc23)cc1 8396376 MXHIGMFTTXNXOF-UHFFFAOYSA-N 438.527 6.419 0 40 IKAB Brc1ccc(CSc2nnc(-c3ccc(Br)cc3)o2)cc1 8758957 BPKJNDQZDZCODB-UHFFFAOYSA-N 426.133 5.554 0 40 IKAB COc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc(OC)c1O 8774750 SELVEPWNEOLSKB-UHFFFAOYSA-N 446.553 6.218 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNCc1ccco1 8985849 FBDWANCKLFRVKK-XMMPIXPASA-N 436.555 6.027 0 40 IKAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3 9067896 TWTYNJSLPNELOU-NTCAYCPXSA-N 431.026 5.814 0 40 IKAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 9142346 SWDWRZLLRZIULY-UHFFFAOYSA-N 443.714 6.173 0 40 IKAB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccc(F)cc4)cc3O)n[nH]c2C)cc1 9187785 MDFAEJWXIXHUFW-UHFFFAOYSA-N 448.450 5.388 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 9235197 IXMSEQDSSJXUBR-UHFFFAOYSA-N 440.572 5.862 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(Cc3ccc(F)cc3)c2C)cs1 9728785 ZBIYFDJSUYQGJX-UHFFFAOYSA-N 433.552 5.905 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3OC)OC2=O)ccc1OCc1cccc(C)c1 9763032 RSCQZCDWCCNXPG-JCMHNJIXSA-N 443.499 5.326 0 40 IKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)nc2c1 10611376 ULIIHLKUELHKRS-UHFFFAOYSA-N 435.574 5.167 0 40 IKAB COc1ccc(/C=C/C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2c2ccc(OC)cc2)cc1 12420230 BSMGAYAONYKFSM-CRQXQDGGSA-N 438.527 5.373 0 40 IKAB biogenic,in-vitro CCc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12486096 WAUKMAUPBXNEMQ-UHFFFAOYSA-N 441.575 5.998 0 40 IKAB CCOc1ccc2nc(NC(=O)CSc3nc(C)nc4sc(C)c(C)c34)sc2c1 12636677 XUAAGMKBXYDBDD-UHFFFAOYSA-N 444.607 5.356 0 40 IKAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC(=O)Nc1ccccc1Cl 12814238 ALJUUBYQTJKKKW-GFCCVEGCSA-N 438.837 5.040 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 12847375 NKXCLSBUDOGTOG-HIFRSBDPSA-N 445.228 5.696 0 40 IKAB COc1ccc(C2=C(Oc3ccc(Cl)cc3Cl)c3ccc(OC)cc3S2=O)cc1 12952359 FUDLKRUDIGYXJQ-UHFFFAOYSA-N 447.339 6.037 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C)c(Cc3ccc(Cl)cc3Cl)s2)cc1 13129836 ZTDLMJGZOOTONO-UHFFFAOYSA-N 437.417 6.388 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 13568062 QJJAQPDQPNECSE-UHFFFAOYSA-N 437.883 5.348 0 40 IKAB CCCCCCn1c([C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13598526 HMUFVQXYNJTJQT-RUZDIDTESA-N 425.576 6.330 0 40 IKAB Cc1ccc(CSCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687528 HQJYQKAPCBVWQT-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C[C@H]3CCCO3)c3ccccc3n2C)cc1 13942422 CXFNAUQDRCHVEY-LYZGTLIUSA-N 436.555 5.878 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2ccccc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 13942952 ABBJFGTYJMYCSF-MRXNPFEDSA-N 429.582 5.266 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@@H]1CCC[C@H]21 15162701 JCMRXPLXUHWJKN-MNHALERFSA-N 436.599 6.622 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 15823469 GFJCQNQOCYNWRD-UHFFFAOYSA-N 434.970 5.033 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 16576355 NRYQQHUDNIYIOS-IBGZPJMESA-N 427.573 5.526 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16736075 BACXUSJBXUQDJB-HSZRJFAPSA-N 426.472 5.117 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccc(Br)cc3)ccc12 16993269 NHOILTRKLGOIBG-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB biogenic O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2s1 17178003 YVPOBBLWIFJCAG-UHFFFAOYSA-N 442.949 5.029 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)c(C)c1 19634380 NYYYWNIOXYXLCB-ZWKOTPCHSA-N 441.549 5.203 0 40 IKAB O=C(Nc1ccccc1F)c1cnc(-c2ccccc2)nc1CCNCc1ccc(F)cc1 19697206 UHLBNDSQKKYEBS-UHFFFAOYSA-N 444.485 5.006 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)c1 20610762 VBBDLMSGUIGZTK-UHFFFAOYSA-N 436.899 5.124 0 40 IKAB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)c1 20795960 XNRFGMKKKDJZDS-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(Cl)c2)cc1 20970102 DNMHBFVQWCCUMV-DEOSSOPVSA-N 442.950 6.180 0 40 IKAB Cc1cccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(Cl)cc3)n3c2nc2ccccc23)c1 21005937 MPTZNIXTSNCPTM-QFIPXVFZSA-N 444.922 5.115 0 40 IKAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C)c(Cl)c2)CC1 21578004 SPJZWTUWSVRZNV-UHFFFAOYSA-N 434.367 5.003 0 40 IKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(F)cc1 22073876 YKCLYTXSIHOPJP-UHFFFAOYSA-N 443.990 6.371 0 40 IKAB CCOc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccc(Cl)cc1Cl 22077339 QYAADIMIWQEAGD-GQCTYLIASA-N 446.124 5.831 0 40 IKAB COc1cc(OC)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl 22258495 VJMAEDTZOULDFN-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23200060 HMVNREMNCKZQTG-UHFFFAOYSA-N 433.556 5.371 0 40 IKAB Cc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(Cl)cc2)cc1 27017143 LHPMFYNSFUSMIL-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB COc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c(OC)c1 27912773 NKVGGDXZTGLNOY-UHFFFAOYSA-N 440.565 5.598 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNc1ccccc1 28296662 OTWYDGBQRKDJKI-HHHXNRCGSA-N 446.594 7.065 0 40 IKAB Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c3ccccc3)cc2)cs1 29009325 BCNYBWQNBLDWDW-CVEARBPZSA-N 440.590 5.167 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(Cl)cc3)sc2c1 32118778 SQKTXKOYOBSHQD-UHFFFAOYSA-N 433.986 5.184 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 33645987 RQJVTGOUCXHDQT-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCC(=O)Nc1ccccc1 34703526 MLOAHCCZKXYRMW-UHFFFAOYSA-N 441.325 5.087 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834700 HFOJDGCMNXHJMC-AWEZNQCLSA-N 431.285 5.863 0 40 IKAB Cc1cc2nc(Sc3nnc(-c4ccccc4Br)o3)c3ccccc3n2n1 40071372 DBYGOFJHUNCWHB-UHFFFAOYSA-N 438.310 5.155 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40112758 XMARVXHLDCSVNM-OAHLLOKOSA-N 425.554 5.257 0 40 IKAB COC(=O)c1ccc([C@@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 40485671 LHFKPFWGNJSFSZ-JOCHJYFZSA-N 433.891 5.179 0 40 IKAB CC1(C)C[C@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2O1 44918626 FCJIWEHBZVHTEF-VWLOTQADSA-N 426.560 5.277 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C(=O)c4ccc(C(C)(C)C)cc4)c3)oc12 44948237 JKTJWKOPBVLYPZ-UHFFFAOYSA-N 427.500 6.222 0 40 IKAB COc1ccc(NC(=O)NCc2cccc(Cl)c2)cc1NC(=O)c1cccc(F)c1 57991616 CZGIBIIHRRRYAK-UHFFFAOYSA-N 427.863 5.062 0 40 IKAB O=C1COc2ccc(-c3cc(-c4ccco4)cc(-c4ccc(Br)cc4)n3)cc2N1 68713469 VLYHWWCADAZMAZ-UHFFFAOYSA-N 447.288 5.769 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 72215560 AGRTYIUMDHUNSA-IBGZPJMESA-N 431.577 5.838 0 40 IKAB O=C(c1ccccc1)N1CCCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377508 SMWKWQHXJIIJHV-SFHVURJKSA-N 427.430 5.001 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccccc2)C1 102667105 AGNJPSRFCATBJL-HXPMCKFVSA-N 446.379 5.640 0 40 IKAB CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102737087 ZVBJMQNTKVGGNM-KWXIBIRDSA-N 448.522 5.453 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 106688505 WUKRNXKKPBRJLL-UNOMPAQXSA-N 441.961 6.629 0 40 IKAB Clc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)c1 106937257 DPXBDBBIJFLINC-IFMALSPDSA-N 439.740 6.345 0 40 IKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1 107043280 MGEDVUNJSOZZPN-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 108925457 ZPQPGASTDBPMFY-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 223493137 AUTLOKRCUNKUON-LOSJGSFVSA-N 445.636 5.573 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224191374 LWCWCAXFSSVAQW-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc2ccccc12 224628729 UMPQMAZBXSTCQO-UHFFFAOYSA-N 445.946 6.401 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224818742 SLCGXRGYWAOHPQ-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(C(F)(F)F)cc1 224877605 VTLSBIMFURFVPB-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225051655 XCMWTTSYXLKFQP-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 225090232 NHCPNVRJGSMKPD-SFTDATJTSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225091916 OIBLFVQJSDCJKU-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225217806 BLHQJEXCGGCBTB-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225219649 XXVSPSWNUCMVGS-XMMPIXPASA-N 443.031 5.730 0 40 IKAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 225722162 DECZTNXJXJOQBM-UHFFFAOYSA-N 440.546 5.066 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Br)c2)cc1 226356426 HXWOFTKSWCNUEY-UHFFFAOYSA-N 442.309 5.957 0 40 IKAB C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@@H]3[C@H]2c2cccs2)C1 254818926 MZIWRSXHNVMYEY-LKNTUJRUSA-N 439.650 5.665 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)c2c(C)noc2n1 257264990 LWVUQLSTCKSVME-IBGZPJMESA-N 436.899 5.049 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Cl 408557600 PGDIXUXZZCAIDI-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)cc1Br 408587120 QKLLDEZYUCMPCR-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(Cl)ccc2C)c1 408698804 PQWMOHZLJPXVKT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2CC)cc1 409152413 FCZZPKGKHJQLKM-INIZCTEOSA-N 442.560 5.179 0 40 IKAB Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3Cl)n1)[C@@H](C)CC(C)(C)N2 575473207 NPGWTKWXBVPPQX-AWEZNQCLSA-N 427.379 7.200 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 583652750 QDTHBJRRNHWFTN-ABMRFVCESA-N 443.591 5.906 0 40 IKAB biogenic COc1ccc2c(c1)CC[C@@H](CC(=O)N(Cc1ccccc1)Cc1ccc(C(=O)O)cc1)C2 585091817 UYJCQQLUONTDBI-JOCHJYFZSA-N 443.543 5.117 0 40 IKAB CC(C)CC(=O)N1CCCCCCCN(Cc2ccc(Cl)cc2)Cc2ccccc21 643559243 SDJBHUXSVFJIDX-UHFFFAOYSA-N 427.032 6.685 0 40 IKAB CC(=O)N1CCCCCCCN(Cc2ccccn2)Cc2cc(Nc3ccccn3)ccc21 2037931567 NYMMLCREGWGLFO-UHFFFAOYSA-N 443.595 5.539 0 40 IKAB Cc1nc2sc(C(=O)c3ccc(Cl)cc3)c(N)c2c(C)c1C(=O)Nc1ccccc1 666261 YFLSLPKXRIINGI-UHFFFAOYSA-N 435.936 5.632 0 40 IKAB CSc1cccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c1 687358 ZMVRPETZTITRFY-UHFFFAOYSA-N 429.567 5.225 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F 890883 AAVHHJPVPLHUTF-UHFFFAOYSA-N 443.372 5.311 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1Cl 931559 SGTAFRGNCVQCEZ-UHFFFAOYSA-N 437.952 5.482 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCOCC2)c(Cl)c1 1266357 SKWMMLMMJXQCNH-GORDUTHDSA-N 441.742 5.144 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320573 BGOBCJAALTXNHA-HHHXNRCGSA-N 431.507 5.131 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)c3cccc(F)c3)c(=O)[nH]c2c1C 1359499 CHAOKEOMQJGBTM-UHFFFAOYSA-N 428.507 5.169 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1378252 SFTSFQVPHBMTAR-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@H](C)C2 1808613 FZEVFSZDGGKBGC-HNNXBMFYSA-N 429.582 5.283 0 40 IKAB CCCCc1nnc(NC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)s1 1904422 BEFFAYABTHSFJW-WYMLVPIESA-N 437.565 5.429 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccccc1C(C)C 1944369 GGMCLZGNRMUHKW-UHFFFAOYSA-N 437.561 6.041 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)COc3ccc(C)cc3)c2)cc1 2069795 HHDQGHXTEWIKCN-UHFFFAOYSA-N 438.911 5.317 0 40 IKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 2177304 PFRCVDFDQAASQQ-OVVICAPSSA-N 436.382 7.111 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SC/C=C/c4ccccc4)c23)CO1 2211194 SIIYVYYLBRCNSP-NJTIBFSMSA-N 428.648 6.460 0 40 IKAB CCCCN(CC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2293803 WNTBYVSLSYQARY-UHFFFAOYSA-N 426.630 5.916 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCCC(C)C)n(-c4ccccc4)c(=O)c23)CO1 2311800 GCFBURNHDJFWGQ-QHCPKHFHSA-N 428.623 5.827 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSc1nnc(-c2ccco2)n1-c1ccccc1 2628110 FXMKXPISCBMQLL-UHFFFAOYSA-N 432.549 5.655 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cn4nc(C)c(Cl)c4C)o3)sc2C)cc1 2760357 IKVSZPKSFZDENE-UHFFFAOYSA-N 440.956 5.787 0 40 IKAB O=C(Nc1nc(COc2ccc(Cl)cc2)cs1)c1ccc(Oc2ccccc2)cc1 3226309 MSKABAKNHLOTDO-UHFFFAOYSA-N 436.920 6.420 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 3253642 GXWOLPUBDDXKDY-VWLOTQADSA-N 449.478 5.029 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)N3CCc4ccccc43)c12 3424752 RCXBRAZBUGMUCR-UHFFFAOYSA-N 436.540 5.660 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864304 NRCBFCANQQRXIB-ROUUACIJSA-N 443.565 5.347 0 40 IKAB CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 8694722 YMTDDDYWBVGJMJ-JDXGNMNLSA-N 444.578 7.332 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 8871293 QMDCBQGMNYISRV-JOCHJYFZSA-N 439.559 5.588 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1nc(-c2ccccc2)cs1 8924614 IZHFPXDCIJKTAD-UHFFFAOYSA-N 428.926 5.244 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(F)cc3)cc(-c3cccs3)c12 8965438 AACBYAFCJSZMKF-UHFFFAOYSA-N 430.529 6.644 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cc(OC)ccc2OC)[nH]c2ccccc12 9355516 UXCOWMVEVJAVGX-MHZLTWQESA-N 440.543 6.197 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(Cl)cc1F 9632867 BJXKENILCNQRMZ-UHFFFAOYSA-N 444.944 5.519 0 40 IKAB Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 9763453 NXBLBFHPOKCBJE-CABCVRRESA-N 439.144 5.076 0 40 IKAB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(Br)cc3)nc12 9805792 SBEMQBXGEYDHNY-UHFFFAOYSA-N 431.131 5.532 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc5c(c4)OCO5)cc3n2)cc1 10038470 GETAJRVLTNILGW-UHFFFAOYSA-N 448.910 5.398 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1nc2ccc(Br)cc2s1 11807940 BHRNDLWWDKJSKP-UHFFFAOYSA-N 446.301 5.424 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12578382 KZVSOQSQKPFZRU-DEOSSOPVSA-N 446.341 6.477 0 40 IKAB c1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)nc1 12624325 WGAYSHDYXVYGRF-UHFFFAOYSA-N 434.528 5.495 0 40 IKAB CC(=O)Nc1ccc(SCc2nc3scc(-c4ccc(C)s4)c3c(=O)[nH]2)cc1 12756255 IXABSEDMQPTYRC-UHFFFAOYSA-N 427.576 5.272 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)N(c4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12875743 SFNMXDYNIOAOPP-DFHRPNOPSA-N 435.527 5.560 0 40 IKAB biogenic O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 12949316 AJDVSJLANYUENZ-HXUWFJFHSA-N 446.856 5.339 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 13499986 XFPZPZWUNONGTL-UHFFFAOYSA-N 425.583 5.118 0 40 IKAB Cc1occc1C(=O)N(c1ccccc1)[C@@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 13503535 ZHNAYRMQDASAOI-RUZDIDTESA-N 442.490 5.432 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 13954879 BVPRCHSEEBEXMM-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB C/C=C(\C)[C@H](OC)[C@H](C)/C=C(C)/C=C/C/C(C)=C/Cc1nc(OC)c(OC)c(O)c1C 14655942 PTKGTYKMTXCJOK-DDSKRPRESA-N 429.601 6.112 0 40 IKAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccccc3F)s1)=C2 15838705 SQFCSVHTMNGGMH-UHFFFAOYSA-N 442.899 5.463 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCC2)o1 15860413 JZBXXPISENLAHG-GOSISDBHSA-N 445.357 5.362 0 40 IKAB Cc1ccc(OCCn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 15913165 VXNIUXDZZNFHME-UHFFFAOYSA-N 427.331 6.310 0 40 IKAB Cc1sc2nc(/C(Cl)=C/c3ccc(C(F)(F)F)cc3)[nH]c(=O)c2c1-c1ccccc1 16043948 KOUOUOCOGXNQAR-WJDWOHSUSA-N 446.881 6.716 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl 16284315 UNYIUJWCQCIQNI-UHFFFAOYSA-N 433.986 5.420 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 16429532 KMEOXXHWESQMQP-UHFFFAOYSA-N 448.872 6.861 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 16846069 XTIIFIBWWVPJLL-UHFFFAOYSA-N 449.601 5.264 0 40 IKAB COc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccccc12)Cc1ccccn1 16977655 BXQHMKONYSUPBN-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2ccc(Cl)cc2)o1 17099379 IWZONWUBSAJQAZ-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 20036843 NFMXJLHPYSQJKM-ZDUSSCGKSA-N 430.422 5.532 0 40 IKAB Cc1ccc2ccccc2c1CN1CCN(c2ncnc3sc4c(c23)CCCC4)CC1 20439817 QDXRKLSFXDUHBW-UHFFFAOYSA-N 428.605 5.354 0 40 IKAB C[C@H]1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c2ccccc2S1 24585752 GFBAXEFHQNGGIL-KRWDZBQOSA-N 433.577 5.044 0 40 IKAB CC(C)CNc1nnc(SCc2csc(COc3ccc(Cl)cc3)n2)s1 24829166 DURGUHIHCWQIEZ-UHFFFAOYSA-N 427.020 5.587 0 40 IKAB Cc1nnc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1C1CCCCC1 26482278 TYASXUDWAHOAIX-AWEZNQCLSA-N 429.615 5.013 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(SCc3cccc4ccccc34)s2)cc1 26770207 HHTXVBWNSHPVRJ-UHFFFAOYSA-N 433.602 6.533 0 40 IKAB COc1ccccc1[C@@H](Nc1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770887 NKRZGZVMXCQEND-RUZDIDTESA-N 442.584 6.827 0 40 IKAB CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)O[C@H](C)C2 26885828 QXLITHSKEXZUHF-MRXNPFEDSA-N 425.488 5.271 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 31666808 CCIXUKKJUQWDOM-RMSCOCSISA-N 444.656 6.475 0 40 IKAB C[C@H]1CCc2c(sc3nc(S[C@@H](C)c4nnc(-c5cccs5)o4)nc(N)c23)C1 32741641 LJIHNCQMHZTZJI-UWVGGRQHSA-N 429.596 5.363 0 40 IKAB CCCCc1ccc2nc(Nc3nc4ccc5nc(SC)sc5c4s3)sc2c1 36696597 OFXNYUVMJTYMRX-UHFFFAOYSA-N 442.660 7.324 0 40 IKAB C[C@@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1nc2ccccc2n1C(F)F 39983229 QEJGMEQMOGEMML-HUUCEWRRSA-N 432.492 5.621 0 40 IKAB C[C@@H](NCc1ccc(OCc2c(F)cccc2Cl)cc1)c1nnc2n1CCCCC2 40088626 KPBZRCJKPDSJET-MRXNPFEDSA-N 428.939 5.227 0 40 IKAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 44918450 WLXHFVIZDZIZIA-OAQYLSRUSA-N 430.951 5.110 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccccc1C 58161118 YZQPUAZQFKREGX-VWLOTQADSA-N 435.527 5.510 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 59418134 WUVMDSGNUKSTGM-HZHRSRAPSA-N 449.503 6.044 0 40 IKAB CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3ccc(C)cc3)c(=O)c21 64817162 JYPYDYVEWIAERP-UHFFFAOYSA-N 438.984 5.224 0 40 IKAB Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 67206684 SDAMMWKFBOTGAS-UHFFFAOYSA-N 427.529 5.408 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)Cc2cc(C)ccc2OC)n1 72390639 JIFWMUVSIPZLBV-QHCPKHFHSA-N 444.579 5.023 0 40 IKAB S=C(Nc1cc(Cl)cc(Cl)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@@H]21 100213617 RJSBLMGVGPVIET-IMAQQZIHSA-N 436.452 5.585 0 40 IKAB biogenic COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@@H]2C)cc1 102710823 BTUTYNXWDXRDAN-GLWFCPOZSA-N 431.576 5.335 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4C(C)C)C3=N)n2)cc1OC 102731967 UVZPFNXSDFZJFV-UHFFFAOYSA-N 435.549 5.717 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 106733890 GQCWTRLUUCHTKD-NLLJVSSUSA-N 449.931 5.902 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223675679 AZRYPMPHDIGEPO-NRFANRHFSA-N 447.044 5.197 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@H](C)C(=O)NC1CCCC1 223786511 OSGCYAACUDTLCG-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223848350 ZCQHOQWYFOMVIK-HRAATJIYSA-N 435.395 5.258 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 223983772 GXZGVVKSYYVIMS-RTBURBONSA-N 440.632 5.501 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1C 224372702 HONAOLVKRYHWKV-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224393367 HVTXMEJTENBAAU-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441925 BBZKIIHVGBYGTH-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccccc2C)cc1)S(=O)(=O)c1ccc(Cl)cc1 224460759 GOFXRPSAUTZDLD-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cccc(Cl)c1 224493918 SMZWQWFUFSYNBA-UHFFFAOYSA-N 437.967 6.695 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1Cl 224948156 LNYUXLQSWFDKRX-ROUUACIJSA-N 436.389 5.636 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)ccc21 225121057 UUSVJIOVUNAQLU-UHFFFAOYSA-N 427.378 5.262 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225193536 JISNOACDYOZCNN-VQTJNVASSA-N 445.003 5.139 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c2ccccc2O1 225299706 QSQKDTWMOAMFBO-AWEZNQCLSA-N 444.380 5.363 0 40 IKAB COC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1C 225341606 YEUAYDLZHXCGHM-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c2ccccc12 225780441 VWSQVNKVGIUDDK-UHFFFAOYSA-N 430.331 5.842 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 225780500 FVPYDXLVGBMXID-UHFFFAOYSA-N 448.950 5.797 0 40 IKAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 225866574 LOHSSJYTOHXRLU-UHFFFAOYSA-N 449.532 5.068 0 40 IKAB Cc1cc(N2CCCC2)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)n1 225986417 ZDUFGNKYPXWTDL-UHFFFAOYSA-N 444.048 5.227 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 245311396 OXRDWATYMRNBEQ-ZDFLXESQSA-N 440.897 5.600 0 40 IKAB CCc1cccc(C)c1NC(=O)CN1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 257249064 JGNXUEKNUHRABT-UHFFFAOYSA-N 447.558 5.048 0 40 IKAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)(C)C)ncc3-c3cc(C)no3)CC2)cn1 257258014 KSAUVOVKUPZMIK-WGSAOQKQSA-N 447.583 5.145 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cccc3cnccc23)C1 257292600 QMGJGJDJAZHSRE-JOCHJYFZSA-N 436.555 5.084 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Br)c2)cc1 408558159 SACWLHKYARBXKT-UHFFFAOYSA-N 443.316 5.526 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408695071 ONSXACJFCFEVMN-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)cc1C 408699915 XDGSSSOTYFFJDQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(CSCc1ccccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409025658 XLWDJDJIXDCOGR-UHFFFAOYSA-N 426.025 6.680 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccc(F)cc2)C1=O 409059311 MIZSCLRGCTWEIK-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)c1 409177323 DNFYGMRYSNGKFE-UHFFFAOYSA-N 436.507 6.281 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccccc1 409386569 MXPFVMXBQPRNBZ-UHFFFAOYSA-N 444.560 5.494 0 40 IKAB O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731779 KILAVLQXCNZKAJ-ZDUSSCGKSA-N 438.357 5.024 0 40 IKAB biogenic O=C(Nc1cccc(I)c1)c1sc2cc(Cl)ccc2c1Cl 853560 HXLMJKRDFZTQMI-UHFFFAOYSA-N 448.112 6.065 0 40 IKAB CCc1ccc2nc(-c3ccc(-c4ccc(C)cc4Br)o3)cc(C(=O)O)c2c1 1886973 DYZSAMKPZSTFKQ-UHFFFAOYSA-N 436.305 6.493 0 40 IKAB Cn1cc(-c2nc(-c3ccc(Cl)cc3Cl)nnc2-c2ccccc2)c2ccccc21 2050017 URBOTVHCLAPOAU-UHFFFAOYSA-N 431.326 6.671 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 2073163 BKVKJIAPUCXMOJ-UHFFFAOYSA-N 444.534 7.279 0 40 IKAB CCCCCN(CCCCC)C(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 2087379 KMCHJGFYJDEQIC-UHFFFAOYSA-N 432.564 6.453 0 40 IKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)n1 2219874 DZCIIXIJGDBVAK-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic COc1cc([C@@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc23)cc(OC)c1OC 2309146 OVJVOLLFZASNGD-AREMUKBSSA-N 440.499 5.637 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 2411836 GHUQECSKRMUQIM-CYBMUJFWSA-N 447.387 6.894 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3033266 IRLGJQHTBDAIBP-UHFFFAOYSA-N 426.545 5.499 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)n1 3211908 RLMLQSNITUPHFS-UHFFFAOYSA-N 429.907 5.626 0 40 IKAB COc1ccc(CNc2ncc(-c3ccc(C)c(C)c3)n2C)cc1OCc1ccccc1 4678996 NBYSXFFVDARNMW-UHFFFAOYSA-N 427.548 5.904 0 40 IKAB COC(=O)[C@H]1C[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1(C)C 5230562 HEASRFZDYCISJY-RXDXDDCOSA-N 442.728 8.063 0 40 IKAB C[C@@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O 8717860 WIFJPOYNLOHKKU-ZDUSSCGKSA-N 439.334 5.331 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 8831163 YLPNNOHUWORFOJ-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc2c1C(=O)OC(C)(C)C 8870414 HYAQWAGFTYSWNK-UHFFFAOYSA-N 429.538 5.621 0 40 IKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(F)(F)F)cc2)cc1 8993475 FSURIVODEBZNRE-OAQYLSRUSA-N 425.410 5.435 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9159034 LKOULUVEGIFPMG-GBXCKJPGSA-N 434.879 5.320 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 9309178 NLKIIQLEKQXFTP-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccccc1Cl 9328029 XEVXCDPILJJCLB-UHFFFAOYSA-N 435.888 5.563 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1C 9663843 WVMQTIMFYWHSGE-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB COc1cccc(-n2nc(C)c(CCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2C)c1 9782303 JAHQUSIWDXRADJ-UHFFFAOYSA-N 447.535 5.111 0 40 IKAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2ccccc2c1 9831924 MFQGGTNIUWQWMZ-SFHVURJKSA-N 442.588 5.327 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(C)c1 9886529 ULXSMCHZMPKGQD-UHFFFAOYSA-N 428.513 5.204 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3C[C@H]2C)cc1 10326597 QXKMBIOHMPKFEA-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)Nc2nc3ccc(OC)cc3s2)cs1 11807131 QHPMAJVNYKSJJP-UHFFFAOYSA-N 425.535 5.008 0 40 IKAB Cc1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccc2c(c1)NC(=O)CO2 11967585 ZUTOYTNIZMWVBF-UHFFFAOYSA-N 434.304 5.009 0 40 IKAB O=C(NC(=S)Nc1cccc2ccccc12)c1ccccc1OCCOc1ccccc1 12137589 TWHQTYKBNCXMET-UHFFFAOYSA-N 442.540 5.424 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2F)cc1 12323062 BAKMRIISGQYKCQ-UHFFFAOYSA-N 428.529 5.218 0 40 IKAB CCOc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccccc2)cc1 12419592 MNUXAHJXADNKBE-UHFFFAOYSA-N 426.519 5.378 0 40 IKAB Clc1ccc2c(c1)N[C@]1(c3ccccc3)c3ccc(Cl)cc3N[C@@]21c1ccccc1 12497048 RZWIURJMIWZPHK-WMPKNSHKSA-N 429.350 7.032 0 40 IKAB O=C1CCCCC[C@@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 12521668 BZMUYQUFFRILDK-SFHVURJKSA-N 433.364 5.630 0 40 IKAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1ccccc1 12532848 IHCHWUOMXSBCEH-UHFFFAOYSA-N 446.355 5.869 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc12 12706047 RHKCSAQKLLFTJO-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@H]2CCCc3ccccc32)c1 13071253 JDBKCFNBZDUXSU-SANMLTNESA-N 437.543 5.664 0 40 IKAB C[C@@](Cc1nc2ccccc2s1)(C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 13150386 AQHVYQOSLCNNCX-VWLOTQADSA-N 448.519 5.118 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 13498335 FCJKZLXJFKAJKG-RUZDIDTESA-N 432.589 5.432 0 40 IKAB COC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 15910704 RZYDRRPECKKZDM-UHFFFAOYSA-N 431.875 5.699 0 40 IKAB O=C(C/C(=C\C(=C1/SC(=S)N=C1O)c1ccccc1)c1ccccc1)c1ccccc1 16450678 WSCRQIBQPBNSNX-OJSQUZCYSA-N 441.577 6.743 0 40 IKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)Cc1cc(=O)oc2cc(C)ccc12 16627606 CCHMGOGYSKWUBG-UHFFFAOYSA-N 433.335 5.259 0 40 IKAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)Cc3ccc(-c4ccccc4)cc3)cc21 17286506 RXOXNWPCNYEUBA-UHFFFAOYSA-N 448.588 5.027 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)n1 19525639 OVTSOHRKLXXVAX-HSZRJFAPSA-N 444.579 5.023 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccc4[nH]c(C)nc4c3)c2)cc1 19690552 YJGCRSWLLLESHT-VWLOTQADSA-N 426.520 5.228 0 40 IKAB COc1cccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)c1 19690643 ZNWPXVBMKHZHSU-JOCHJYFZSA-N 432.568 5.074 0 40 IKAB CN(Cc1ccccc1NC(=O)c1ccc(C2SCCCS2)cc1)C1CCCCC1 23352682 OSVNPWUANAYFJN-UHFFFAOYSA-N 440.678 6.572 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)COc1ccc2oc3ccccc3c2c1 25274797 GICDEQMVIRGUPD-UHFFFAOYSA-N 431.448 5.047 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913931 JTOUOQASCGTQGP-UHFFFAOYSA-N 428.941 6.512 0 40 IKAB CCOc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)cc1 32622444 PUWIEEGKHXISHK-UHFFFAOYSA-N 444.354 5.182 0 40 IKAB CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@@H](C)c1cccc(OC)c1 32800916 DKJICFSHNKEFSG-HNNXBMFYSA-N 426.538 5.059 0 40 IKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccc(COc2cccc(Cl)c2Cl)c1 33523270 GTYWCMUGQBZDPS-UHFFFAOYSA-N 444.402 6.519 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 38756457 RWXJEMOHNLUBTR-GOSISDBHSA-N 447.600 6.343 0 40 IKAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38837064 NMEYQTHTAOHGDX-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB COc1ccc(-c2nc(COC(=O)c3cc(Cl)nc4ccccc34)cs2)cc1OC 40161613 DOPZIQBRSCZRAL-UHFFFAOYSA-N 440.908 5.386 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 58160422 WJJMKBPCVDAWRD-AREMUKBSSA-N 441.575 5.334 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(Cl)c2)CC1 59322991 ZSOKYDOXNUVJFD-UHFFFAOYSA-N 429.800 5.229 0 40 IKAB COc1cccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)c1 67245395 CMUIKTCFTOYGPE-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(Cl)c2)cc1 71328029 FNAWITHTLDNACE-UHFFFAOYSA-N 444.000 5.828 0 40 IKAB CC(=O)Nc1ccc(C(=O)c2cc(-c3ccc(Cl)cc3)c(N3CCOCC3)s2)cc1 85430286 XUUCIIIIVAHESI-UHFFFAOYSA-N 440.952 5.095 0 40 IKAB O=C(Nc1c(NC2CCCCC2)c2ccccc2oc1=O)c1ccccc1Br 101095873 VVORNLBRXMXPPX-UHFFFAOYSA-N 441.325 5.552 0 40 IKAB O=C1O[C@@H]2C[C@@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccccc2-c2ccccc2)cc1 101632069 QBBBQKLXRHRJKQ-QOGMPQAHSA-N 425.484 5.282 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102062291 OAYISQICTHPCKE-FYGLYAOUSA-N 442.603 6.027 0 40 IKAB CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)CC1 107643982 GPTSTGLSTVTOQS-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB CCCCC/C=C\C/C=C\C/C=C/C/C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 194837542 QVLMCRFQGHWOPM-DDHXBNBWSA-N 439.640 7.163 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(C)C 215122613 ODBKTQYRIWCTHD-KEBDBYFISA-N 449.931 5.902 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219468901 IDINSMXOWCDUIP-UHFFFAOYSA-N 430.548 5.116 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 223849890 VHILDPHJSNQNPK-DHIUTWEWSA-N 446.963 5.408 0 40 IKAB C[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 224009381 JCAAUIRMTRFDPV-AWEZNQCLSA-N 442.924 5.033 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1C 224101811 TWDAYELQJQTVMD-UHFFFAOYSA-N 429.560 5.678 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224194311 WABUKDLZSKCABW-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 224197983 CTWLXSRDNOUFQZ-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1Cl 224484427 AWHKGVXZSZCPSA-MRXNPFEDSA-N 444.358 6.462 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(Cl)c1 224489459 HXCYFYGHOJTULZ-UHFFFAOYSA-N 434.294 6.363 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 224590381 HGAPOPJSIOFZCU-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224809614 MTVYNGXNBUPXHK-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)ccc1F 224896483 NPKGAHCGQKZQIV-RPBOFIJWSA-N 448.611 6.240 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(Cl)cc3)o2)cc1 224916129 FHOIWBXSZWRZQJ-UHFFFAOYSA-N 432.907 5.991 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960741 ARDJNPFRQBFAJJ-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225249788 CQZGCHJATFQGEG-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c1 225699121 PIZUVHHZCCUBEA-HXUWFJFHSA-N 434.914 6.743 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)c(C)c2)c2ccccc2)c(C)c1 225767966 UWTPOXKXSQSEMJ-JOCHJYFZSA-N 439.422 6.450 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 248148589 APXGMXGYVLNWBD-ZAWLATJESA-N 438.538 5.279 0 40 IKAB Cc1ccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccccc2)cc1Cl 408621260 OXIXGYUQDZJBCS-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB O=C(O)/C(=C/c1cn(Cc2ccccc2)c2ccccc12)Sc1nc2ccccc2o1 408633241 JGCAMUABYXBPCK-UCQKPKSFSA-N 426.497 6.049 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 408640471 IBLOLFCZUSSJTK-GOSISDBHSA-N 434.923 5.741 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 408689345 YORNNFQWTNITGE-DLBZAZTESA-N 429.303 5.091 0 40 IKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(C)cc4)cc3)C(=O)O2)cc1 409003986 NESKNMLKRZHTKT-ITYLOYPMSA-N 441.527 6.097 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OCC 409120789 UCMKXEHDHPCCBS-UHFFFAOYSA-N 442.353 6.651 0 40 IKAB Brc1ccc(COc2ccccc2CNc2ccc(Br)cc2)cc1 409205105 LVAYEVRIVWCZRN-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409249943 KDGCLERZZWUWSB-UHFFFAOYSA-N 443.374 6.494 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 409365086 YQZPFZCFJCGJLJ-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB COc1ccccc1-c1csc(C2CCN(C(=O)c3cnc(O)c4ccccc34)CC2)n1 682993506 JCMJAHYDNCFFSA-UHFFFAOYSA-N 445.544 5.092 0 40 IKAB Cc1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C 1857794989 DDRKSUSIFOAIHS-WVXBCFDCSA-N 445.653 6.840 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1cccc(Cl)c1 800208 QWSFSKXZZVIKCB-INIZCTEOSA-N 430.879 5.097 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 924474 DKHQKPFXBYRKQH-UHFFFAOYSA-N 441.988 5.538 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)NC1CCCCC1 1059442 IDWDFIYTOYVMML-UHFFFAOYSA-N 425.579 5.090 0 40 IKAB CC(C)CCN(CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2)CCC(C)C 1873690 UAXRUCKKJSLJJA-UHFFFAOYSA-N 430.080 6.963 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)Cc1cccc2ccccc12 2083499 VFVFSSMYPVTTEI-UHFFFAOYSA-N 445.540 5.935 0 40 IKAB CC(C)(C)Oc1ccc([C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2243981 WWZXXXPJDRUVOE-DEOSSOPVSA-N 445.515 5.528 0 40 IKAB biogenic CCCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 2397100 IMYGHLTWMWCXQE-JOCHJYFZSA-N 443.613 6.065 0 40 IKAB CCCCc1nc2sc3c(NCCCOCC)nc(SC)nc3c2c2c1CCC2 2417392 BIAIOXHIVDMBMD-UHFFFAOYSA-N 430.643 5.631 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1 3268897 SWMYCWBVTBITJA-UHFFFAOYSA-N 444.556 5.884 0 40 IKAB CCOc1ccc(NC2=Nc3ccccc3N3Cc4c(C)nn(-c5ccccc5)c4N=C23)cc1 3283329 FDWYPZHMXBJGSU-UHFFFAOYSA-N 448.530 5.785 0 40 IKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCCOc2ccc(Cl)cc2Cl)cc1 3343040 KAXANOWHWAVRAI-UHFFFAOYSA-N 429.299 5.769 0 40 IKAB COc1c2c(c(CC=C(C)C)c3oc(=O)c(-c4ccc(O)cc4)c(O)c13)OC(C)(C)C=C2 4175461 QKTFIWUHGFCLHF-UHFFFAOYSA-N 434.488 5.573 0 40 IKAB biogenic,in-vitro COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc1OC 8425616 SJNMKJOWLUSYHQ-FWZNDOBOSA-N 428.532 5.696 0 40 IKAB biogenic C[C@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752877 CGIPRDFXZVBGCA-IEBWSBKVSA-N 449.476 6.185 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(C(=O)c2cc(Cl)cc(Cl)c2)c1 8781273 HHUKFVBLFKPVKU-UHFFFAOYSA-N 439.125 6.784 0 40 IKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(F)c1 8810048 DLYDZYBZJIRUSR-UHFFFAOYSA-N 446.931 5.403 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8828248 NPEQYMPFQIXODH-QFIPXVFZSA-N 439.559 5.588 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)c1 8880646 VSPQMJWHCINYSE-MRXNPFEDSA-N 440.544 5.062 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959762 OARYCWWFGKMSFO-UHFFFAOYSA-N 430.932 5.009 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 9012845 WZFMQTNJAZPLHO-UHFFFAOYSA-N 443.959 6.715 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 9109933 LBIIKQOOEWBEOF-AWEZNQCLSA-N 441.578 5.123 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OC(C)C)c4)cc3n2)cc1 9226814 OZVIORZLQMIYIB-UHFFFAOYSA-N 442.563 6.111 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 9356414 WUHSDYCEBSFZSS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(c1ccc(F)c(Cl)c1)C3 9423021 BBBDIFJEJFWSDM-UHFFFAOYSA-N 437.854 5.618 0 40 IKAB biogenic CN(Cc1ccccc1)C(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1 9485341 FSOSEIGXIUFXBX-UHFFFAOYSA-N 433.891 5.151 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9506733 RTQOPTXNPZFCQF-MRXNPFEDSA-N 432.574 5.066 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2C2CCCCC2)cc1 9545256 NYQNGZCYKNVLML-UHFFFAOYSA-N 436.581 5.498 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Nc3nc(C)cc(N(CC)CC)n3)cc2)cc1 9573429 FHTLJAWYFCXRMK-UHFFFAOYSA-N 447.583 5.806 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1ccc(Cl)c(Cl)c1 9599169 HWOPRBHWRFOIOA-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N(CC)c3ccccc3)nnc2-c2ccncc2)cc1 9664278 XMQNSRZIXJJKBL-UHFFFAOYSA-N 443.576 5.037 0 40 IKAB COc1cc(C)c(NC(=O)Cc2csc(-c3c(Cl)cccc3Cl)n2)cc1OC 9669377 MFZVRKLTWWYGCT-UHFFFAOYSA-N 437.348 5.624 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(-c2nc3ccccc3s2)c1 9783411 HYEKKVMGMNULFI-QHCPKHFHSA-N 439.540 5.866 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC(c2nc3ccccc3s2)CC1 9817690 RXPPENKRZZQOFA-UHFFFAOYSA-N 444.604 5.438 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9864887 WCGYXJSDHHEYSZ-XMMPIXPASA-N 438.556 5.318 0 40 IKAB S=C(Nc1ccc(Cl)cc1Cl)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 9876716 YWXZXPLPLHXGHI-UHFFFAOYSA-N 435.207 5.819 0 40 IKAB C[C@H]1Cc2cc(C(=O)Nc3cccc4ccccc34)ccc2N1S(=O)(=O)c1ccccc1 10325250 OINCCMMGPLHKPE-SFHVURJKSA-N 442.540 5.232 0 40 IKAB Cc1cccc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 11667331 VBFIRBSJRPFDNZ-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCCOc3ccccc3)[C@H]2c2cccs2)cc1 12630557 YIZFEFYPIFJWLF-URXFXBBRSA-N 435.545 5.163 0 40 IKAB O=C(CN1CCc2sccc2[C@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12809619 IJTHSHYWZIATEW-UZUQRXQVSA-N 437.634 5.073 0 40 IKAB COc1ccc(OCCCOC(=O)c2sc3c(Cl)c(OC)ccc3c2Cl)cc1 13145727 YFBYFXUYQNFWCZ-UHFFFAOYSA-N 441.332 5.851 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)Cn1nc(-c2ccc(Cl)cc2)oc1=S 14201269 NSNFPGAWUAGOHY-UHFFFAOYSA-N 441.944 5.444 0 40 IKAB CCc1ccc2nc(Nc3nc(SCc4ccc(Cl)cc4)cc(=O)[nH]3)nc(C)c2c1 14608240 SEQKSELSJYFCGE-UHFFFAOYSA-N 437.956 5.273 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4C)cc3c2C)cc1OC 15729504 OALDYBYFJNKDLL-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccc(F)cc4)cc3s2)c1 15832800 YWIUHELHMSJXPO-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Cc2ccccc2)cc1 15880225 UGJGYYLIIOFQLY-UHFFFAOYSA-N 439.584 5.545 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1c(F)cccc1Cl 16196291 BETNLEIQOWGRNE-UHFFFAOYSA-N 429.875 5.055 0 40 IKAB Cc1cc(C)cc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 17010872 PTDHUQUOZKQPRK-UHFFFAOYSA-N 434.547 5.831 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCCC2)CC1 19700051 BYQZSWSOZZUSTC-UHFFFAOYSA-N 432.608 5.092 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)ccc1-c1ccc(CO)o1 20139955 QBWBAOJIAYOTNF-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 20482334 ZQMOHKJERCUQCF-JYFHCDHNSA-N 430.573 5.342 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20486705 LHEHUDRZJNKBHH-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 20549794 JRZRNWYMNJRVQK-CVEARBPZSA-N 449.956 5.463 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206926 ZKMVDEVNVRALBO-HNNXBMFYSA-N 440.952 5.041 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@@H](C[C@@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 30691430 WRGOVNKNTPWHLZ-JKSUJKDBSA-N 447.339 6.123 0 40 IKAB in-man Cc1cc2occ(CC(=O)N(C)[C@@H](C)c3ccc(S(C)(=O)=O)cc3)c2cc1C(C)C 32753855 SRMXLRADZZXZNG-KRWDZBQOSA-N 427.566 5.030 0 40 IKAB COc1ccccc1CN(Cc1cccs1)C(=O)c1ccc(N2CCCCC2=O)cc1 32787241 FFRTYZJFWQLZHB-UHFFFAOYSA-N 434.561 5.116 0 40 IKAB Cc1ccc(OCCOC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 32910655 WTOARKSWTGIRNP-QHCPKHFHSA-N 437.923 5.132 0 40 IKAB Cc1sc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[nH]c(=O)c2c1C 32911142 CGIZPYIIXIBJHK-UHFFFAOYSA-N 447.891 5.004 0 40 IKAB Clc1ccc(CSc2nnc(CCCOc3ccc(Cl)cc3Cl)o2)cc1 33437595 IFSRBNKLAMUZOM-UHFFFAOYSA-N 429.756 6.334 0 40 IKAB CC(C)OC(=O)c1ccc2ccccc2c1-c1c(C(=O)OC(C)C)ccc2ccccc12 38232108 KKCLGTFSEDICQF-UHFFFAOYSA-N 426.512 6.790 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)CC1 39761753 CZKYOJRIBQQCQX-UHFFFAOYSA-N 446.566 5.242 0 40 IKAB C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 44950215 OQICVFKHGNCGEO-GKVSMKOHSA-N 434.536 5.091 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OC(=O)c2cccc(Cl)c2)cc1 59195058 HGLTZDFJBXKNNV-JAIQZWGSSA-N 438.266 5.557 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1NC(=O)c1ccco1 59477589 UFVGWIWEXZLQRN-SDNWHVSQSA-N 428.444 5.452 0 40 IKAB O=C(NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1)C(=O)c1c[nH]c2ccccc12 65010270 HEUXSJXMZHZGCJ-UHFFFAOYSA-N 437.524 5.458 0 40 IKAB COc1ccc([C@@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1OC 67288513 FWTDAPZDQNSJDI-MRXNPFEDSA-N 437.515 5.190 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1 71768727 CDURJXNSVDKSQU-UHFFFAOYSA-N 438.593 6.235 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)N(C2CCCC2)C2CCCC2)cc1 72232528 QZQUJMBNJBDBMD-UHFFFAOYSA-N 426.582 5.123 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)N(Cc3ccccn3)C3CCCC3)sc3ccccc23)C1 72352619 BOAMVBLIJRGYSE-LJQANCHMSA-N 447.604 5.217 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)c2)c1 72354268 POIIRXYIOKWXPO-HSZRJFAPSA-N 446.595 5.134 0 40 IKAB O=C(/C=C/c1ccc(Cl)nc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 95443898 SQNFZCICICAETN-XBXARRHUSA-N 435.789 5.251 0 40 IKAB c1ccc(-c2ccc3c(-c4nn5c(-c6cc7ccccc7o6)nnc5s4)cccc3n2)cc1 96194019 DRNRNBDKKQTBBS-UHFFFAOYSA-N 445.507 6.481 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(Br)cc1Cl 98073255 XDDUXHQMVORUBY-UHFFFAOYSA-N 428.035 6.419 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 101071414 GWFDKPXTLMKEHJ-DYXWJJEUSA-N 439.298 5.045 0 40 IKAB C[C@@H]1CC2=Nc3ccccc3N(C(=O)COc3ccccc3)[C@H](c3ccco3)C2=C(O)C1 102602387 YRJQLCBYFLJOIC-WGDIFIGCSA-N 428.488 5.761 0 40 IKAB Cc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)o1 102681939 INWHOOFGASWYAH-RUZDIDTESA-N 426.516 6.694 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)CC(C)(C)O2 218877356 GSFXJMQQFBNYDX-IBGZPJMESA-N 446.385 5.678 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc2ccccc12 219475960 WCGYZFZWQSDLJJ-UHFFFAOYSA-N 442.540 5.217 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 222777008 VBAHQUIJIGWIEQ-NSHDSACASA-N 448.177 5.006 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223142169 XHTWCCMRTSSZKY-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB Cc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 223344614 INBBAMOWJNAJLU-UHFFFAOYSA-N 428.576 6.425 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(SC)cc3)cc2)cc1 223993773 GYRBRLGVKOOGLD-UHFFFAOYSA-N 426.563 5.024 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2C)c1 224117957 NGZCRWIYOYQZDN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(OCc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2OC)cc1 224262666 BEZOWXQDSMPYRB-UHFFFAOYSA-N 446.330 5.520 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CSc1ccc(C)cc1 224337935 KMTQTIQADCYHDE-UHFFFAOYSA-N 431.479 6.567 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(Cl)cc3)c2)cc1 224504379 FUQBZOXOTQZKOA-UHFFFAOYSA-N 437.967 6.913 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 224533216 MGPDPYRNMFTKSQ-WOJGMQOQSA-N 434.561 5.437 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1OC 224575743 DKAUYJYFBPSQKP-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccc(C)c(C)c1 224618669 XMIWQAXDUKAPCA-UHFFFAOYSA-N 433.548 5.262 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225114636 VFPPANZMWYLCJK-VXKWHMMOSA-N 436.640 5.557 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225135257 UUUYYYLKXCKFOY-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 225602973 FGUYNQHASMOHBN-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1C/C(=C/c1cccc(Br)c1)[C@H]2O 253497508 NKLBOHZLKULONG-XBUFFOFCSA-N 443.469 7.236 0 40 IKAB biogenic CCOc1cc2c(cc1CN1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@H](C)C2 257204429 AUOXKCRFFCEVGB-OAQYLSRUSA-N 442.603 5.774 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257286369 PLHUXBLFBINPLN-JOCHJYFZSA-N 431.467 5.427 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccc(C)cc1 408551440 CTGCEGPXALOKQC-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1ccccc1CNC(=S)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408573818 KUJWLZQUHDGIIU-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1ccc(Cl)cc1Cl 408613956 WXEIQTQIAABCGT-UHFFFAOYSA-N 446.330 6.281 0 40 IKAB CCCc1nc(S/C(=C\c2cc(Cl)ccc2OCc2ccc(F)cc2)C(=O)O)n[nH]1 408630561 BUFXQFNASFTRLG-WQRHYEAKSA-N 447.919 5.347 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408651877 CNFLQBFBBHWLPO-XMMPIXPASA-N 427.544 5.361 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(F)cc3)n2)cc1 408694730 MEKLUFZDBOZTIU-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB COc1ccc(CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@@H](c3ccccc3)N2)cc1 408985360 ARELTPKWTXDLAR-XMMPIXPASA-N 443.572 5.542 0 40 IKAB Clc1ccc(COc2c(Cl)cc(CNc3ccccc3)cc2Cl)c(Cl)c1 409114460 HRMPMMLVCPIUDE-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Fc1ccccc1COc1ccc(Cl)cc1CNc1ccc(Oc2ccccc2)cc1 409121716 VSDIXRDASODENI-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB Cc1ccc(N2C(=O)c3ccc(C(=O)OC(c4ccccc4)c4ccccc4)cc3C2=O)cc1 409180702 UMEZNMIBCHLHHQ-UHFFFAOYSA-N 447.490 5.742 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccccc2C(F)(F)F)cc1 409338162 FBIPXYKRUJHAHX-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc2ccccc2o1 409344689 GKGOCRFUOMAECO-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1CCc1ccccc1 585265085 GKWMDLSXTJVZRF-UHFFFAOYSA-N 443.930 6.464 0 40 IKAB Cc1cc2c(c(C(C)(C)C)c1)OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585265739 NSRDVUXZTWGOGT-QLBRKBSLSA-N 436.592 6.243 0 40 IKAB CCOC[C@@H](O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1616033652 RWVXJEIBILVOJT-LJQANCHMSA-N 432.973 5.081 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 800051 SUWBEXVGILQERW-IBGZPJMESA-N 438.515 5.450 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 875324 HUYOSUBGMHNNMY-UHFFFAOYSA-N 437.584 5.185 0 40 IKAB Cc1cccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)n1 1085743 ICJRLDQSBCOFBD-UHFFFAOYSA-N 434.468 5.582 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2Cl)c(OCC)cc1NC(=O)c1cccs1 1223652 QMZRWNWHLRBOOV-UHFFFAOYSA-N 444.940 5.704 0 40 IKAB Cc1ccc(CN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1333545 ZDNUPSBUPFZRAO-HSZRJFAPSA-N 436.577 5.482 0 40 IKAB COc1ccc(NC(=O)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 1378341 RNOSYXCTCSTODL-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB COc1ccccc1[C@H](Nc1ccccn1)c1c(NC(=O)c2ccccc2)sc(C)c1C 1890826 QROROYNIVPKIJI-DEOSSOPVSA-N 443.572 6.222 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCCCC1 2083389 JPRHZCNGHYNCPY-SANMLTNESA-N 438.615 6.439 0 40 IKAB CC[C@@H](C)c1ccc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2203681 AJJKJLAORYJBQY-HXUWFJFHSA-N 442.559 6.055 0 40 IKAB CCOc1ccc(-c2c3c(nc4sc(C(=O)c5ccccc5)c(N)c24)CCCC3)cc1 2219999 JWNNPTBFVNZDKS-UHFFFAOYSA-N 428.557 6.054 0 40 IKAB CCN(CC)C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)O1 2331565 LLVLKOFQIRMQSG-UHFFFAOYSA-N 436.183 5.289 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3ccc(Cl)cc3)ccc2c1=O 2404448 VNHUZHRZXZMXOG-UHFFFAOYSA-N 436.891 6.525 0 40 IKAB biogenic CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2592456 YYEZYJBISPGFRV-UHFFFAOYSA-N 444.600 5.663 0 40 IKAB Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)o3)nnc2-c2ccccc2)cc1C 2631665 FOQNFUUDDXKYMM-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB CN(C(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1)C(c1ccccc1)c1ccccc1 2637357 AEDCFOPCPAJNGB-UHFFFAOYSA-N 448.979 5.465 0 40 IKAB O=C(c1sc2c(c(-c3ccc(F)cc3)nn2-c2ccccc2)c1Cl)N1CCCCC1 3254788 HTJKSHITZCNPCK-UHFFFAOYSA-N 439.943 6.173 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c1 3295832 IDFOREIMSSWHBZ-UHFFFAOYSA-N 426.386 5.389 0 40 IKAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410605 OHRRKAROXWSPFH-PKOBYXMFSA-N 441.556 5.381 0 40 IKAB biogenic,in-vitro CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(OCC)cc3)cc12 8439231 HBVIKGRTDLFQHC-UHFFFAOYSA-N 445.537 5.288 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 8612396 WENKMKVIGRTHIV-UHFFFAOYSA-N 433.485 5.259 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 8693948 ITAUVHRNEHROPH-DTYYQPIHSA-N 429.470 5.797 0 40 IKAB O=C(Nc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1)Oc1ccccc1 8716942 BJVBDOKHADOETA-UHFFFAOYSA-N 432.836 5.367 0 40 IKAB Cc1cc(-c2cccs2)c2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 8748686 DVKXOEMEALJHBC-UHFFFAOYSA-N 432.574 5.369 0 40 IKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 8904031 YEXIRSUBRLNMSF-UHFFFAOYSA-N 436.733 5.844 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CN3CCC(c4nc5ccccc5s4)CC3)c2)cs1 9167724 LMRHYFJTFCYKAV-UHFFFAOYSA-N 448.617 5.546 0 40 IKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@@H]3c1ccccc1 9209698 ZYHVEYSWOARZQA-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB Cc1cc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Cl)n2C2CCCC2)no1 9413005 VZXBYSYMQZWOHT-CYBMUJFWSA-N 431.949 5.129 0 40 IKAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 9414024 BMZYQRHYUVBUMY-UHFFFAOYSA-N 442.402 5.183 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)no1 9450467 KHPKNHTYLYFZPQ-SFHVURJKSA-N 445.233 5.285 0 40 IKAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccccc1I 9464273 ARODFCKHUYXXBX-UHFFFAOYSA-N 427.241 5.372 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)ccc3o2)c1 9600615 AZBUJPYFTIAXTL-UHFFFAOYSA-N 442.902 6.871 0 40 IKAB CCCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607084 RMUQEURAWORZRA-UHFFFAOYSA-N 447.648 7.923 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc12 9636750 YTXYYLFUVUSGFS-UHFFFAOYSA-N 437.568 6.238 0 40 IKAB COc1ccc(-c2nc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cs2)cc1 9713062 HNGRRJBZQHEMNU-UHFFFAOYSA-N 445.548 5.056 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@@H](Cc1ccccc1)c1ccccc1 9741669 LZKMLLILMDOAMK-VWLOTQADSA-N 442.584 6.298 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3c(n2)SCC3)cc1 10251301 WDVVYUDYSUDGGZ-LBPRGKRZSA-N 434.348 5.369 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2)cc1 10370960 XJIJSEAGGOGDSM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 12179092 OYACAZMXNOLHGN-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4cccs4)=Nc4ccc(F)cc43)cc2)cc1 12497688 BEGWUGAYQCIMRG-UHFFFAOYSA-N 427.504 5.997 0 40 IKAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)N1CCCc2ccccc21 12565691 DDEKPQQOQUPOCN-UHFFFAOYSA-N 432.593 5.387 0 40 IKAB COc1cccc(-c2nc(C(=O)Nc3ccc4nc(C(C)(C)C)[nH]c4c3)cs2)c1OC 12777322 SHVCMBCQQNXDNG-UHFFFAOYSA-N 436.537 5.253 0 40 IKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc(Cl)cc1NC(=O)c1cccs1 12797475 VNUALUNZXAQUAE-UHFFFAOYSA-N 441.965 5.536 0 40 IKAB O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12809615 IJTHSHYWZIATEW-HXOBKFHXSA-N 437.634 5.073 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@@H]2c2ccccc2)cc1 12954919 OATUGQVRSFARFU-IEXUWNMDSA-N 440.609 5.172 0 40 IKAB Cc1ccc2c(COC(=O)c3oc4ccc(Br)cc4c3C)cc(=O)oc2c1 13133751 GUXRQOLQHYRMCO-UHFFFAOYSA-N 427.250 5.276 0 40 IKAB Clc1ccc(Sc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 13144427 BHZXSZWESGFAMW-UHFFFAOYSA-N 432.014 5.207 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cc5ccccc5cc4OC)c3)nn12 13565496 IIYXHIOUVZOUIK-UHFFFAOYSA-N 443.532 5.138 0 40 IKAB Cc1ccsc1-c1nnc(SCC(=O)c2ccc(F)cc2)nc1-c1sccc1C 13566480 CJAYYUDDDNSUAT-UHFFFAOYSA-N 441.578 6.060 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 13964920 DKPXYYVDCKHLLS-UHFFFAOYSA-N 430.891 5.984 0 40 IKAB CC(C)[C@@H](NCc1nnc2n(C)c(=O)c3ccccc3n12)c1ccc(C2CCCCC2)cc1 15523738 RJTKUXGGGZXNGC-RUZDIDTESA-N 443.595 5.116 0 40 IKAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccccc2)C1 15673947 JAYKUTIKSZESGP-NFBKMPQASA-N 428.580 6.020 0 40 IKAB biogenic,in-vitro COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 16195807 VGTHBOHCSMOTSO-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB Cc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 16284954 XNWRFHDOMHALSH-FGZHOGPDSA-N 436.600 5.670 0 40 IKAB O=C(O)c1ccc(CNCc2cc(Br)ccc2OCc2ccccc2)cc1 16480555 VIWZMBMNXXTDOC-UHFFFAOYSA-N 426.310 5.016 0 40 IKAB CCOc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccc(C)c(C)c2)c2ccccc12 16777528 AROKYRBPDCVBMY-UHFFFAOYSA-N 427.504 5.180 0 40 IKAB FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(-c3ccccc3)n2)cc1 17095740 JTJNAODUASVPBO-UHFFFAOYSA-N 428.385 6.409 0 40 IKAB COc1cc(NC(=O)COc2cc(C)cc(C)c2)ccc1NC(=O)c1ccccc1Cl 17102814 VNCWNMCJNMZRMD-UHFFFAOYSA-N 438.911 5.235 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2c(C)cc(C)cc2s1 19631371 HTUKPYRJPDOFMP-UHFFFAOYSA-N 440.377 5.355 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(C[C@H](C)c1ccccc1)CO3 20610385 JZRGADSHALLJLX-IBGZPJMESA-N 439.555 5.956 0 40 IKAB biogenic CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 21577996 UMFZADWVQOWHOR-UHFFFAOYSA-N 427.976 5.164 0 40 IKAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1sc2cc(F)ccc2c1Cl 24276203 BLNLQQCLMHKGPY-UHFFFAOYSA-N 437.367 5.742 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)N(C)Cc1ccc(-c2ccc(Cl)cc2)o1 24365095 DGLMCMZKAJCDJT-UHFFFAOYSA-N 426.925 5.826 0 40 IKAB COc1cc2c(cc1NC(=O)CCc1c(C)nc3cc(C)nn3c1C)oc1ccccc12 25869232 IYZPCYJASFPIOM-UHFFFAOYSA-N 428.492 5.134 0 40 IKAB O=C(NCc1ccccc1Cn1ccnc1)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 32313670 DKPCMSHADLUHDA-LDCALFFHSA-N 425.576 5.086 0 40 IKAB Cc1ccc(Sc2ccc(CN(Cc3ccco3)C(=O)c3ccc(Cl)cc3)o2)cc1 32593316 MFCVHKHMUUYZGI-UHFFFAOYSA-N 437.948 6.828 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1nnnn1-c1ccccc1 40122922 MVUUHRKVVNJNLD-OAHLLOKOSA-N 428.496 5.265 0 40 IKAB CCC1CCC(N(C(=O)c2ccc(CS(=O)(=O)c3ccccc3)cc2)C2CC2)CC1 40132934 DSNNFAKXYQWOBX-UHFFFAOYSA-N 425.594 5.234 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)cc1Cl 57279106 NARIGROMDNDMDJ-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 57316013 CNPZQIXUTLJPLK-JLHYYAGUSA-N 441.874 6.455 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O 57478607 YMUKSKLTPNEYNT-UHFFFAOYSA-N 429.611 5.358 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2nc(-c3ccccc3)cs2)s1 58264228 OOOVZFAAJNUZAC-GDNBJRDFSA-N 442.928 5.790 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)c1C 59176113 UFNSLMUAUILYTL-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69375051 XODAZWLJDOWKOG-DEOSSOPVSA-N 426.545 5.607 0 40 IKAB C[C@@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1)CC(=O)O3 72404464 OUITXBPQJQRTKX-FKBUOAMDSA-N 448.515 5.315 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@H](c1cccnc1)C(C)C 79049124 XWHFOXVNZKSATL-SFHVURJKSA-N 431.367 5.111 0 40 IKAB O=C(NCc1ccc(C(=O)c2cccs2)s1)NC(c1ccccc1)c1ccccc1 90610614 YGLWWPBSOVWGII-UHFFFAOYSA-N 432.570 5.629 0 40 IKAB O=C(Nc1cccnc1Cl)N(Cc1ccccc1)C[C@@H](O)c1ccccc1C(F)(F)F 96012629 UVTPXMMENJGDDU-LJQANCHMSA-N 449.860 5.522 0 40 IKAB O=C(Cc1ccc(Cl)cc1)N1CC2(CCN(Cc3ccc(C(F)(F)F)cc3)CC2)C1 96203004 XTLDQGOPZKTXDA-UHFFFAOYSA-N 436.905 5.026 0 40 IKAB CCCC1CC(=O)C(C(c2ccc(Cl)cc2)C2C(=O)CC(CCC)CC2=O)C(=O)C1 102372523 UBRMTQKUEUPZED-UHFFFAOYSA-N 430.972 5.353 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107033196 WKFRABNPBUSEBQ-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 216487278 BGSQSIRTCTUWBB-HNNXBMFYSA-N 425.937 5.699 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 222502835 PKZTYDCYCSMGIY-HSZRJFAPSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 222504651 VOVKOAMVKQCWEA-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 222682064 HUAZUYVIISMNHJ-NSHDSACASA-N 448.177 5.006 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 222985117 RVWXNETXWDTBHS-KRFWEUHSSA-N 446.547 5.271 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 223026646 ZSNKUXVZIPOXHB-QFIPXVFZSA-N 436.640 5.559 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)nc1 224456827 XCZMSMBWLZQGCZ-XZOQPEGZSA-N 445.979 5.406 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1cccc2ccccc12 224629049 PBLBIPVYCYBZBY-UHFFFAOYSA-N 425.528 5.790 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225030805 XELIOBHYYOAEDS-DEOSSOPVSA-N 441.015 5.529 0 40 IKAB COc1cccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)c1 225825003 FEXMCDPDHKXGLY-UHFFFAOYSA-N 431.517 5.468 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Br)cc2)c(Br)c1 226334516 ILIOFLGURLVFOO-UXBLZVDNSA-N 440.131 5.367 0 40 IKAB C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 247653894 OFMXGFHWLZPCFL-DMCJVEQOSA-N 426.729 8.457 0 40 IKAB biogenic COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccc(C)cc1 408556627 KVANNMWTDSUIQL-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 408571774 FSOQVVIQQBBVDC-NTCAYCPXSA-N 439.902 6.795 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(F)cc2)cc1 408628295 WDKNFBASODOVMH-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408698813 PUASNBIVLLQAJR-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1OCC 409115562 MTXSHGUXBPCVBU-WQRHYEAKSA-N 444.369 5.790 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3cccc4ccc(C)nc34)cc2)cc1 409176958 CGBNFHFQPCYWQW-UHFFFAOYSA-N 431.513 5.045 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1OC(C)C 409194080 NKDKIANESIUDNE-LICLKQGHSA-N 438.332 6.030 0 40 IKAB Clc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)cc1Cl 409206129 VIKCXJWFXXEAPN-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc[nH]2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409367507 CEXAZDJYBNLPLY-UHFFFAOYSA-N 425.492 5.003 0 40 IKAB COc1ccc(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)cc1 643583175 VGADHKYRWKZWCP-UHFFFAOYSA-N 445.559 5.549 0 40 IKAB O=C(c1cc(-c2ccccc2F)[nH]n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 2037724437 HNEJOMQOHFQITB-HSZRJFAPSA-N 448.473 5.301 0 40 IKAB O=C(CSc1ccccn1)Nc1ccc2nc(SCc3ccccc3F)sc2c1 693648 JBGAPJXFLUGGCA-UHFFFAOYSA-N 441.578 5.854 0 40 IKAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2)N1CCCc2ccccc21 865717 XMNKTNQDAGCBEM-RDTXWAMCSA-N 432.471 5.198 0 40 IKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 1224684 GEYGEJRLMBKWTM-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB Clc1ccc(-c2nsc3c(N4CCN(C5CCCCCC5)CC4)ncnc23)cc1 1370831 MIZMNGBHPPCEPY-UHFFFAOYSA-N 428.005 5.252 0 40 IKAB CCCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)COc1cccc(C)c1 2115210 BQOOKAPBLYHFRR-UHFFFAOYSA-N 437.561 5.925 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/c3cccc(Cl)c3)N=C2Oc2cccc3cccnc23)cc1 2179781 YWXVSRTVNVMQGM-JWGURIENSA-N 439.902 6.019 0 40 IKAB Cc1nn2c(N3CCC(Cc4ccccc4)CC3)c3c(nc2c1-c1ccccc1)CCCC3 2206515 FLYNHBKQGLUOPB-UHFFFAOYSA-N 436.603 6.043 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2347117 LDUZBDSWNMMUPY-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=C(CSc1nc(-c2ccccc2Br)n[nH]1)Nc1cccc2ccccc12 2621511 MVRZCRVJZRVZPV-UHFFFAOYSA-N 439.338 5.118 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)sc2c1 2679739 VOESSGAIXZEPQZ-UHFFFAOYSA-N 435.357 6.593 0 40 IKAB COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccc(F)cc3)c2cc1OC 2691941 YZAVBVQZXYHIML-UHFFFAOYSA-N 447.897 6.061 0 40 IKAB Cc1nn(C(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)c(C)c1Br 2755822 ZTVQMAHHSSYLIG-UHFFFAOYSA-N 444.112 5.430 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 2975794 VCNVFAZVWVUTPC-FQVRHNBASA-N 447.604 5.059 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc(Oc2ccccc2)cc1 3205594 QYKRIYQUAIONJR-UHFFFAOYSA-N 438.508 6.714 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1ccc(Cl)cc1 3243198 TXWIBAZSCUQREK-LJQANCHMSA-N 433.813 5.896 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C)n2Cc2ccccc2)c2ccc(C)cc2)cc1 3292954 IPHVYMFXHBKDKK-RUZDIDTESA-N 427.573 5.968 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 3294874 VPCPIUGCHYBNBS-UHFFFAOYSA-N 440.638 5.818 0 40 IKAB Fc1ccc(/C=C/C2=NN(c3ccc(Cl)c(Cl)c3)[C@@H](c3ccc(F)cc3)C2)cc1 8927046 NUICWGROJAHSBE-WZHTZEMWSA-N 429.297 7.292 0 40 IKAB CC1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 9428662 ZCCQDUWQCGXNAB-HXYQTYRISA-N 445.788 6.552 0 40 IKAB O=C(/C=C/c1nc2ccccc2s1)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9467981 BWPLCWKOWKEPQY-ZHACJKMWSA-N 445.525 5.018 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Br)cc1 9593119 TWNXFNDLMSJVMU-UHFFFAOYSA-N 438.778 5.585 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1nc2ccccc2s1 9779083 UDINIVBPEIBXTR-SFHVURJKSA-N 436.512 5.172 0 40 IKAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1cccc(F)c1 9834199 MMBCBNVYWBVYBM-UHFFFAOYSA-N 445.475 5.002 0 40 IKAB COc1ccc(Nc2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cs2)cc1 9836731 XBAGCZHLJIEJMO-UHFFFAOYSA-N 443.572 5.780 0 40 IKAB CCCCN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21 12420094 QPMGJQBZIKMTDH-VWLOTQADSA-N 449.913 5.551 0 40 IKAB COc1cccc([C@H](CNC(=O)c2sc3cc(F)ccc3c2Cl)N2CCCC2)c1 12788209 VZGMOCKVOSVRKM-SFHVURJKSA-N 432.948 5.269 0 40 IKAB CC1CCN(c2nnc(SCc3c(C(=O)O)sc4cccc(F)c34)n2C2CC2)CC1 12908784 IXLAFTFNQSQTOW-UHFFFAOYSA-N 446.573 5.194 0 40 IKAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 12909125 KCNDWGDOLXYJSL-HXUWFJFHSA-N 431.294 5.112 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCCC2)cc1 13568274 AQYDLECUXYHBDL-UHFFFAOYSA-N 444.608 5.426 0 40 IKAB Cc1cccc(C2=N/C(=C/c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)c1 13894763 CKEBNJFUUDXFKG-LPYMAVHISA-N 438.310 6.225 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Br)cc1 14071263 HXODSEQHQRGQTK-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 14269862 ZZHMWHRJPKMDGC-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB COc1ccc(-c2csc3ncnc(NC[C@H](c4ccc(OC)cc4)N(C)C)c23)cc1 15346185 BZXKYCCSISXOKS-OAQYLSRUSA-N 434.565 5.090 0 40 IKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757746 XPAKSDVBLIBQTH-OAHLLOKOSA-N 437.952 5.785 0 40 IKAB CSc1cccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)c1 16975382 PWUXKJWTVADAEM-UHFFFAOYSA-N 440.981 5.502 0 40 IKAB Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1C 17099432 ZHWVXXMDIFGZCU-UHFFFAOYSA-N 435.332 5.703 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)CCc4ccncc4)CC3)noc2n1 19452127 HSWNREPXXAKUQR-UHFFFAOYSA-N 446.473 5.099 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 20610482 ZCZAVSMDEPEYGA-UHFFFAOYSA-N 425.319 6.103 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(Cl)cc1)C3 20632593 WLRZHEDDZAPROS-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2OC)cc1 20970151 PSFWTXDCQIZJDP-VWLOTQADSA-N 438.531 5.535 0 40 IKAB COc1ccc2cc(/C=C3/SC(=N)NC3=O)c(Sc3ccc(Cl)cc3)nc2c1 21596682 SHRCLEIDQNLMRF-RQZCQDPDSA-N 427.938 5.187 0 40 IKAB CCOc1cc2c(cc1NC(=O)Cc1csc(-c3ccccc3Cl)n1)O[C@H](C)C2 21837562 AORWZVMQLCGRAJ-CYBMUJFWSA-N 428.941 5.367 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 22149196 QDMHWMCRHBNLIR-JTQLQIEISA-N 439.547 5.011 0 40 IKAB Cc1ccccc1-n1c(C)nnc1SC[C@H](O)Cn1c2ccccc2c2ccccc21 25094507 OOAZNLXUDAPHGP-LJQANCHMSA-N 428.561 5.145 0 40 IKAB Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 27795531 OLCYPINBMIYMOU-UHFFFAOYSA-N 448.773 5.746 0 40 IKAB CCCCc1ccc2nc(NC(=O)/C=C/c3cc(Br)ccc3OC)sc2c1 32118856 KDNWYTASYVEARB-YRNVUSSQSA-N 445.382 6.062 0 40 IKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc12 32986733 XUAORRVADUIXLU-UHFFFAOYSA-N 426.472 5.590 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c1 33000794 FRBFCPOXUYJUHJ-UHFFFAOYSA-N 427.595 5.629 0 40 IKAB O=C(c1ccc(F)cc1)c1ccc(OC(=O)c2ccccc2OCc2ccc(F)cc2)cc1 34695585 BUVSDIYNBIMCGS-UHFFFAOYSA-N 444.433 5.994 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Br)cc2)CC1 38835526 ZRTUBYSLLJGCAU-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(NCc1ccc(CN2CCCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 44873369 YFWRVXSAPADAJU-LGUFXXKBSA-N 445.006 6.183 0 40 IKAB COc1ccc(SCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1OC 44904844 ZELMDDLYLHLIDD-UHFFFAOYSA-N 446.421 5.152 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(Cl)cc1 45891045 STCLTEJXMKVUBI-UHFFFAOYSA-N 432.543 5.316 0 40 IKAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c(Cl)c1 59843145 HDPABJFLLLBYRP-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB CC(C)(C)Cc1nc(-c2ccc(C(=O)Nc3ccc(Oc4ncccn4)cc3)cc2)no1 72295290 ILTYWTDGNNLORW-UHFFFAOYSA-N 429.480 5.160 0 40 IKAB COc1ccc([C@@H](C)NC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1Br 84647717 MRQSKAIPGPHRAA-CYBMUJFWSA-N 447.329 5.382 0 40 IKAB CCOc1ccc(-c2noc(CSc3nnc(Cc4c(F)cccc4Cl)o3)n2)cc1 84810472 NWNQLZFXZPYQBS-UHFFFAOYSA-N 446.891 5.194 0 40 IKAB O=C(Nc1c(NC2CCCC2)c2ccccc2oc1=O)c1ccc(Br)cc1 101095480 NPTLREAQPVUOTD-UHFFFAOYSA-N 427.298 5.162 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1cccc(F)c1 101433464 VJHKNBKSARUQMQ-PIKZIKFNSA-N 440.518 6.704 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 105550615 NPFNIURPZMASKS-UHFFFAOYSA-N 444.796 6.037 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccc(F)cc1 106971194 VWSKLKXGGGUTAS-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)n1C 107987219 WLSVDLLSMIJRSQ-GOSISDBHSA-N 432.952 5.027 0 40 IKAB Cc1cccc(CSCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 216459668 DRNXFVBUURBUND-UHFFFAOYSA-N 437.630 5.829 0 40 IKAB Cc1cccc(-c2noc(CNC(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)c1 219775443 LJBOOIGHJDNTAL-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 222882495 VFRFIYGTSZRYOQ-KBMIEXCESA-N 430.548 5.536 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222938678 YCAKVPMTEKXWSG-FGZHOGPDSA-N 425.569 5.569 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223476632 MRTYUPSHOBGDTI-DEOSSOPVSA-N 438.930 5.275 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223654166 LLWGIIORQRNKOZ-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 223778153 WIEDFXUTFVURCZ-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB CC1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)CC1 224944996 BGWBXVBRDVUOHY-UHFFFAOYSA-N 425.326 5.643 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)c(C)c1 225182981 CTWJWGAAJFRWTG-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 225545081 DDLCFBIWMRRYQP-NRFANRHFSA-N 438.587 5.777 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 225675046 GVTCFXUHNRIPRL-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)cc1OC 225845621 JXZCUPYHTIEBIH-UHFFFAOYSA-N 435.387 5.222 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)on2)c1 257292942 QNNUCHPQOMGIND-QFIPXVFZSA-N 447.466 5.045 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4nccc5ccccc45)C3)c2)cc1 257330901 XQMNJHJMBQFHAZ-JOCHJYFZSA-N 437.543 5.634 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1[C@H]2CC[C@H]1CC(Cc1cccc3occc13)C2 257341847 ZMDWOZBBSRNKSR-ZEQRLZLVSA-N 439.559 5.612 0 40 IKAB COC(=O)c1c(NC(=O)c2sc(-c3ccccc3)nc2C)sc(C)c1-c1ccccc1 334161182 VVOGJXDBLBJCPE-UHFFFAOYSA-N 448.569 6.194 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)c1 408546604 FQHKZVBVZCTSFB-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408571499 BIJBSKNFOLWZDS-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4cccc(N)c4)cc3)cc2)cc1 408673413 RZSWQVSTBIMNJT-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2cccc(C)c2)c1 408694294 INJSLAVJSRRCPU-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)cc1 408698631 OXHQCPTVKHVYGM-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1 408737905 ZTRSCBRGXQOSKC-JLPGSUDCSA-N 429.491 6.047 0 40 IKAB CCOc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)c2c(OCC)cccc12 409080114 LJKKINFJSMDCMW-SILNSSARSA-N 438.593 5.370 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 409110603 FHMOLRZEOTYWMS-UHFFFAOYSA-N 428.326 6.261 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)c(C)c1 409119532 UIGNAFNVNOLONR-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB O=C1N/C(=C/c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1Cc1ccccc1 409196692 YEVBXEIETPGTKT-LPYMAVHISA-N 436.870 5.151 0 40 IKAB CSc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409272021 XTBWPDGQFUSPSC-HNNVXOBOSA-N 440.612 6.957 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(C34CC5CC(CC(C5)C3)C4)ccc2OCC)C1=O 409356213 FSRARXOGOZJENA-WSDLNYQXSA-N 425.594 5.999 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409356276 MAHGBCYHNHNINU-MQMKENTISA-N 429.925 5.437 0 40 IKAB Cn1c([C@@H]2CCCN2C(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)nc2ccccc21 524735288 OHSSLCHHZJYGQR-GOTSBHOMSA-N 432.955 5.371 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2c(-c3ccccc3)nc3ccc(Cl)cn23)[C@@H]1C=C(Cl)Cl 606422413 XYWGHUBLYXUPOD-WMLDXEAASA-N 434.754 6.184 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@H](c2ccccc2)[C@@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@H]21 1547139772 HBCKQDJNNYSOKP-JECRDHHXSA-N 434.580 5.042 0 40 IKAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 642745 WKYPZKXVKJINFI-NSHDSACASA-N 443.135 5.016 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(C)cc3C)cc2c1 884966 AOVPJKKCYPKCGY-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)c1C 1223754 LKUWOLIGSWOYHX-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB COc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)cc1OC 1342580 NPMZAFVHXBNRPA-UHFFFAOYSA-N 437.565 5.426 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2cccs2)c2cccc(F)c2)cc1 1376099 OQPBSDXLYNYAGU-QHCPKHFHSA-N 436.552 5.643 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c(OCC)c1 1416745 RBZOSXJXJXOCLC-VXLYETTFSA-N 435.904 5.513 0 40 IKAB CCC(CC)C(=O)Oc1ccc2c(=O)c(Oc3cccc(C)c3)c(C(F)(F)F)oc2c1 1904836 CXGZIAXPXKSFIC-UHFFFAOYSA-N 434.410 6.254 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 2062260 GIWSDBQYLFSDGS-UHFFFAOYSA-N 436.511 7.079 0 40 IKAB COc1ccc(-c2cc(-c3ccc(F)cc3)c3c(N)c(C(=O)NC(C)(C)C)sc3n2)cc1 2237025 VRKOJMBMVXOQDI-UHFFFAOYSA-N 449.551 5.889 0 40 IKAB CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@@H]4C 2297643 SDFNZMNSGGTSST-HNNXBMFYSA-N 438.622 5.673 0 40 IKAB C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c3c21 2304869 BIKXNMJYYGYMPY-SNVBAGLBSA-N 448.411 5.451 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)Nc1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 2315508 YGJISOAIWICGOG-UHFFFAOYSA-N 447.050 7.764 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2325988 WQVVHMJCEGPKFC-UHFFFAOYSA-N 432.524 5.367 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)c(Cl)c(C)c2)cc1 2341622 LNXMBFUZOPZPHA-UHFFFAOYSA-N 434.923 5.421 0 40 IKAB O=C(CCc1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 2413385 HSJLTYFEXFXBIN-XZOQPEGZSA-N 441.510 5.135 0 40 IKAB COc1ccc(CC(=O)Nc2ccc(-c3noc(COc4ccccc4Cl)n3)cc2)cc1 2930894 RFQZTDYDBJUVPN-UHFFFAOYSA-N 449.894 5.159 0 40 IKAB O=C(C[C@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccc(Br)cc1 3068008 SVAKUSNJTSCJFH-FQEVSTJZSA-N 432.720 6.668 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3241630 NZXLIKPGUCGNJO-UHFFFAOYSA-N 434.926 7.475 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c1CC 3291788 LXJQGBVMZXLMMB-UHFFFAOYSA-N 427.447 5.391 0 40 IKAB CCCc1ccc(-c2nc(NC(=O)[C@@H]3CCCN3C(=O)c3cccs3)sc2C)cc1 3357759 RBFXKBHPGVQMBE-SFHVURJKSA-N 439.606 5.376 0 40 IKAB CCOC(=O)C1=C(C)OC(N)=C(c2nc3ccccc3s2)[C@H]1c1ccc(Cl)cc1 3849121 IHRSDABHEYOXDG-SFHVURJKSA-N 426.925 5.228 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 3865110 SMNNPRYAEDCRGM-LQUSUNTNSA-N 447.531 5.964 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4062194 XUGISPSHIFXEHZ-DRRIYRHGSA-N 428.701 7.960 0 40 IKAB endogenous,in-man Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c1 4122968 MVFLTIWSEQMHET-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(c1ccccc1)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 4428299 YXHQCPFGXOFHLR-GCXHJFECSA-N 442.558 7.122 0 40 IKAB O=C1c2ccccc2[C@](O)(c2ccccc2)N1CCOc1ccc(C2CCCCC2)cc1 4694430 XETDZUGBNUKSNB-MUUNZHRXSA-N 427.544 5.463 0 40 IKAB O=C(O[C@]1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1 5062789 KTTJRRFDZFMDHF-MUUNZHRXSA-N 434.447 5.146 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCCc3ccccc3)C3CCCCC3)cc2c1 6300295 WROOWFUOXXUCHY-UHFFFAOYSA-N 447.648 5.397 0 40 IKAB COc1ccc([C@@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 8671966 QJJYCTQDDXOBRW-QHCPKHFHSA-N 429.545 5.044 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)cc3)nc2c1 8831945 TYAMOXJRWGVPDJ-UHFFFAOYSA-N 444.384 5.875 0 40 IKAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 9064623 OWBAHRNFEPHYTE-UHFFFAOYSA-N 447.560 5.131 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(F)cc2)n1C1CCCCC1 9095725 OYXNYSGHHINBRL-UHFFFAOYSA-N 425.529 5.573 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(CCCOC(C)C)C3=O 9215593 FTWQCBFWKVOJRB-JOCHJYFZSA-N 439.939 5.424 0 40 IKAB CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 9410688 SRUJEYYOENSBBW-QZTJIDSGSA-N 434.487 5.097 0 40 IKAB COCCCn1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 9494150 YBDQOVUPHHOBFP-UHFFFAOYSA-N 429.973 5.227 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccccc1CN1CCCCC1)c1ccccc1 9513046 STCGTFJKAXIBPT-SANMLTNESA-N 431.555 5.281 0 40 IKAB COc1ccc(Cl)cc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 9531435 XCTBKHVPEVTPCA-UHFFFAOYSA-N 444.897 6.632 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1Cl 9686475 WFSXTOJNSBRGPY-UHFFFAOYSA-N 437.504 5.205 0 40 IKAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@@H](Sc1ccccc1)c1ccccc1 9710040 CYPWOLWRLLVCBI-QFIPXVFZSA-N 427.533 5.147 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccccn1)c1nc2ccccc2s1 9717002 QCPOYKIYNQAJRY-UHFFFAOYSA-N 444.343 5.610 0 40 IKAB Cn1c(COc2ccc(Cl)cc2)nnc1S[C@H](C(=O)c1ccccc1)c1ccccc1 9873056 RFGMFQHTNJPIQM-QHCPKHFHSA-N 449.963 5.764 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2C)cc1 10315328 DHJQTAOZULKCFA-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1OC 12344155 YVSYKKNNOLWBOM-NRFANRHFSA-N 446.334 5.449 0 40 IKAB C[C@@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 12590902 UXTWOSOINHZVJQ-MRXNPFEDSA-N 447.336 5.188 0 40 IKAB Cc1ccc(C)c(OCC(=O)OCC(=O)c2c(-c3ccccc3)n(C)c3ccccc23)c1 12596101 RWNCZZJYZOPXFF-UHFFFAOYSA-N 427.500 5.267 0 40 IKAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 12861218 DADHACSINYINTK-ZJSXRUAMSA-N 438.980 5.143 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(C1CCCCC1)C1CCCCC1 12876381 XFHNATOTCKNXCY-UHFFFAOYSA-N 439.669 5.970 0 40 IKAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 12885627 IUZFBPIVRNEGLQ-SFKKXYGYSA-N 443.565 5.191 0 40 IKAB CC(=O)N(c1nc(COC(=O)c2cnc(Cl)c(Cl)c2)cs1)c1ccccc1F 12908106 DPAVEZUHYZYWEQ-UHFFFAOYSA-N 440.283 5.026 0 40 IKAB COc1cccc(-n2c(SCCC(F)(F)F)nc3sc4c(c3c2=O)CCCC4)c1 13028860 AIQSUWLEZFUPMY-UHFFFAOYSA-N 440.512 5.379 0 40 IKAB Cc1sc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc1-c1ccccc1 13129450 FBLWDLCVSRCOPL-QFIPXVFZSA-N 441.556 5.098 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)cc1 13661108 YSRPBEYYKVTGPN-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB COc1ccc(NC(=O)c2ccc(COC(=O)/C=C/c3cccc4cccnc34)cc2)cc1 14812797 WDZBGDYQCMVTRG-LFIBNONCSA-N 438.483 5.252 0 40 IKAB CSc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(C(=O)Nc4cccc(F)c4)C2)C3)cc1 15672324 XMQIEASEZFTFLL-FUHWJXTLSA-N 449.551 5.028 0 40 IKAB biogenic,in-vitro Nc1ccc(C2=CSc3nnc(-n4nc(-c5ccccc5)cc4-c4ccccc4)n3N2)cc1 16492687 XWLSWGNIEMFSNS-UHFFFAOYSA-N 449.543 5.028 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2s1 17094320 PPAPUIXMYZYSRN-ZRDIBKRKSA-N 425.340 6.922 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 19636604 IQTOSRMYFCYRAW-IBGZPJMESA-N 442.559 7.149 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 20610571 JQQVZWKPCLXYDW-UHFFFAOYSA-N 446.554 6.315 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2cccc(Cl)c2)C4)cc1 20796334 RFNLLDUGJMUMPB-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB Brc1ccc(OCc2ccccc2)c(CNC23CC4CC(CC(C4)C2)C3)c1 22073746 PGDQXULVSWZHRY-UHFFFAOYSA-N 426.398 6.087 0 40 IKAB COc1cc(CNC2CCCCCCC2)cc(Br)c1OCc1cccnc1 22107439 LOYVSKGLFYUTLT-UHFFFAOYSA-N 433.390 5.634 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1cc(Br)c(Br)s1 28232712 PMDCDBGMULWHPV-UHFFFAOYSA-N 429.055 5.544 0 40 IKAB O=C(Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1)c1ccc(Br)o1 32623751 TYYXURJTQBYBNL-UHFFFAOYSA-N 444.672 5.665 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)c3ccccc3N(C)S(C)(=O)=O)cc2)c(C)c1 32900160 AFKNWCAYWYCYLE-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)c(C)c2)cc1 33536636 XKHHJVUUNDGXIT-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB O=C(Nc1ccc(Br)cn1)c1sc2cccc(OC(F)F)c2c1Cl 36611078 XOSICLOWOFUFKU-UHFFFAOYSA-N 433.661 5.566 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1SCc1ccccc1 39995572 INXPGIZPVYPZSI-XMMPIXPASA-N 428.557 5.882 0 40 IKAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 40069867 CWBOLENGVDXYLQ-HXUWFJFHSA-N 440.543 6.169 0 40 IKAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2SCc1ccc(Cl)c(Cl)c1 41104818 AVZNQKQKHSUTKX-KRWDZBQOSA-N 425.381 5.269 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)c1C 59176115 KOSDRMCRNTTYNF-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CCOC(=O)c1sc(SCC)nc1NC(=S)Nc1ccc(Br)cc1 71328560 USZMGHKZETUFFA-UHFFFAOYSA-N 446.417 5.003 0 40 IKAB COc1ccc2c(c1)c(CN1CCC[C@@H]1c1cncc(Nc3ccccn3)n1)cn2C(C)C 72376428 TYMCTQVTBJTHCO-XMMPIXPASA-N 442.567 5.497 0 40 IKAB Cc1cccc(CC(=O)N(CCn2cccn2)c2nc3c(C(F)(F)F)cccc3s2)c1 77177564 YATIVDABHXUMPF-UHFFFAOYSA-N 444.482 5.096 0 40 IKAB Cc1cc(C)c(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1 95749040 UTXLNEMJEMLCKI-RUZDIDTESA-N 429.516 5.146 0 40 IKAB CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 101487131 XGDVSJLOTVQNKY-DLRUOAQISA-N 440.712 7.446 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c1 101532332 FRBDFGGZBPEKEX-SMOZNVCYSA-N 428.576 6.244 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C1=O 205691916 FDGDJWNELZRWSZ-HYARGMPZSA-N 447.512 5.018 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222846769 WDTASKXIXOXWRB-VQTJNVASSA-N 442.382 5.485 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222939399 SUYRDXVMHGIZPC-YADHBBJMSA-N 425.985 5.932 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C(C)C 223270058 VWNYAQCRVMNJIW-UVPCLOGWSA-N 448.006 7.198 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 224043068 LXBITUXKYKTVRX-GOSISDBHSA-N 447.044 5.295 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccccc1 224180790 RVNZYCVUQVLRNT-PKTZIBPZSA-N 431.948 6.172 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 224196705 YMVVNIXVOMXALD-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 224392374 MLWYNGVBAPOMPG-RPWUZVMVSA-N 443.551 5.200 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cc(C)cc(C)c1C 224609591 CHVCCHHNOFLDNE-UHFFFAOYSA-N 437.967 6.804 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 224704234 QKJJUHYSQMGMKM-QFIPXVFZSA-N 447.044 5.320 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224777304 FLOFGFJFXQNRIX-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)ccc1F 224905497 MWWXBSOMWCNZEA-DNQXCXABSA-N 434.584 6.013 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225152184 PJWDXOFDYFSXBY-RUZDIDTESA-N 436.640 5.559 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)ccc1OCc1ccccc1 225578302 BDKLHSCYOFUDJG-UHFFFAOYSA-N 435.951 5.914 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225647516 GXMOGHZOQBXNJG-KRWDZBQOSA-N 449.422 5.430 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225686458 CNVBVOMRYLBELB-INIZCTEOSA-N 444.906 5.956 0 40 IKAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)o1 226341801 UVEHIFSCUSLTHE-ZZXKWVIFSA-N 441.112 5.471 0 40 IKAB COc1ccccc1-c1ccc(C2(CNC(=O)CCc3ccccc3)CCCCC2)cc1 257291947 QJIYVGVFRXOABY-UHFFFAOYSA-N 427.588 6.313 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 257341402 ZKDWNJHFCRVMDF-RUZDIDTESA-N 432.907 5.249 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)c1 408530980 TUAIEJJTEHWABI-UHFFFAOYSA-N 428.444 5.172 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1 408693641 BJTJSLFDGZHVDS-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408697336 JDKJBBHERFOZHA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1 408821112 CPELHDHDKWRNKF-UHFFFAOYSA-N 435.774 6.431 0 40 IKAB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)N(C)C1=S 409050407 VKDFNXOUJWSGOT-JMIUGGIZSA-N 444.387 5.416 0 40 IKAB Cc1cc(-c2ccccc2)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2n1 409074300 SXAOSQZVVSQLGO-UHFFFAOYSA-N 440.344 6.801 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccc(C)cc1 409117399 RBDMCZZEUKKBMF-XYGWBWBKSA-N 441.571 6.516 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1C 409163069 LMUHEKVVSCIKHC-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409203297 VIBBYCDJLGTVGV-YQNUULROSA-N 444.940 5.037 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)c1 409252429 RUOAZQHFAHYHPD-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB CC1(C)CCCN(CCC(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@H]23)C1 504779543 KDYPCXIDBCQDOZ-MUCKBHKGSA-N 437.624 5.529 0 40 IKAB biogenic O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1cc(F)cc(F)c1 585266657 KDENFMRXMNSTKQ-NRFANRHFSA-N 443.881 5.233 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)Cc1cccc(c1)CNCCCCCO2 643583642 GURJHMGFRRWSLR-UHFFFAOYSA-N 448.994 5.513 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4cccc(Cl)c4)sc3n2)c1 661274 VYUUFRPGXRWSPZ-UHFFFAOYSA-N 437.952 5.180 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCC2)cc1 878648 MLOATJOSURNGLM-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1S[C@@H](C)C(=O)Nc1ccccc1 917422 NFOOFSPXNXAVJG-AWEZNQCLSA-N 449.502 5.048 0 40 IKAB Cc1cc(OCC(=O)Oc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)ccc1Cl 959371 ASRJAYNFWSKRNK-UHFFFAOYSA-N 430.287 5.539 0 40 IKAB COc1ccc2cc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 1327492 GTAJRDOUFJCUNP-UHFFFAOYSA-N 425.916 5.167 0 40 IKAB CC(C)c1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1817134 BRAGHIIYVVDGFM-UHFFFAOYSA-N 432.951 6.309 0 40 IKAB CC[C@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)C(=O)c1ccccc1 2079113 JCNFAIWGZRYARF-VWLOTQADSA-N 425.484 5.729 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@@H](C)C2 2080059 FJJDGORHSABVHC-LLVKDONJSA-N 426.365 5.997 0 40 IKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C(C)C)cc1 2382243 NPUUTMCKYKDDCB-MXBOTTGLSA-N 436.536 6.627 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2397888 ILPLXANOEBRXRT-UHFFFAOYSA-N 428.879 5.166 0 40 IKAB Cc1oc2cc(OC(=O)N(c3ccccc3)c3ccccc3)ccc2c(=O)c1-c1ccccc1 2424595 ZUYYGAGWEITZOS-UHFFFAOYSA-N 447.490 7.106 0 40 IKAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(Cl)cc3)c2C(=O)OC)C1 2741436 ZVACHOGGXGSWIK-WDBUWWRISA-N 446.012 6.381 0 40 IKAB COc1ccc(Cl)cc1-c1csc(-c2cc3ccc(OC(C)=O)cc3oc2=O)n1 3073025 JZYSNSCZRSHCQT-UHFFFAOYSA-N 427.865 5.171 0 40 IKAB CCOP(=O)(OCC)[C@@H](Nc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3154722 WBIROPODPDTISW-HSZRJFAPSA-N 447.556 7.364 0 40 IKAB biogenic O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2ccccc2)c1)c1ccccc1 3173296 KOGGJSPYVOBKRJ-UHFFFAOYSA-N 432.373 5.428 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)c1ccc(Br)s1 3232089 LCDSRRXKUHZWFI-UHFFFAOYSA-N 429.291 5.174 0 40 IKAB COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 4106608 RKRNATWYGBUMOY-UDWIEESQSA-N 442.899 5.515 0 40 IKAB CC(=O)C1=NN(c2cccc(Cl)c2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426978 XKIKEDHSYHJMDH-XMMPIXPASA-N 446.963 5.850 0 40 IKAB O=C(Nc1ccccc1SCc1ccccc1)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1 8723573 KEZLZZVUJJOSMV-OAQYLSRUSA-N 445.588 5.862 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)c1 8915811 MZZMUKFKLALWSD-QGZVFWFLSA-N 449.913 5.406 0 40 IKAB COc1ccc(-c2c(C)nn3c(O)cc(CSc4ccc(Cl)cc4)nc23)cc1OC 8990513 WZNURPXYZAPOJI-UHFFFAOYSA-N 441.940 5.373 0 40 IKAB CC(C)Cn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091495 WUOIOSFZYSZSQG-HOTGVXAUSA-N 444.000 5.064 0 40 IKAB Cc1ccccc1NC(=O)[C@@]1(c2ccsc2)CC(=O)N1c1ccc(Br)cc1 9129650 DHLZJRVDRZQWRY-NRFANRHFSA-N 441.350 5.090 0 40 IKAB Cc1cc2sc(NC(=O)c3ccccc3I)nc2cc1Cl 9226809 GLZLHQRECUTPGS-UHFFFAOYSA-N 428.682 5.115 0 40 IKAB NC(=O)N[C@H](CC(=O)Nc1ccc(F)cc1Cl)c1cccc(Oc2ccccc2)c1 9245747 GWKWBEBKSBWICP-HXUWFJFHSA-N 427.863 5.010 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)cc1 9250012 QZPOTFYFNBKINK-UHFFFAOYSA-N 435.549 5.080 0 40 IKAB C[C@H](Sc1nc(-c2cccs2)nc2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 9316443 NYDPTPDSUCASRF-ZDUSSCGKSA-N 435.530 5.206 0 40 IKAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1ccc(F)cc1F 9394343 WOHVLCVCFYWTMJ-UHFFFAOYSA-N 426.463 5.838 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccnn3C3CCCC3)[C@H]2c2cccs2)cc1 9466165 IGNLGPHCFCDLHA-YKSBVNFPSA-N 448.592 5.491 0 40 IKAB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccccc1Cl 9601183 PJWQIPWERSIRSA-UHFFFAOYSA-N 447.048 5.722 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 9764298 VKBMZWYNOBWDPX-VWLOTQADSA-N 439.511 5.288 0 40 IKAB O=C(COC(=O)/C=C/c1ccc2ccccc2n1)Nc1c(Cl)cccc1C(F)(F)F 10022055 XPESKNLCTNUKFN-ZHACJKMWSA-N 434.801 5.102 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1 10333328 NBYGTDLOIZLNMU-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB Cn1ccnc1[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F 12507629 NLBVVWDJUOJBDY-DHIUTWEWSA-N 431.536 5.298 0 40 IKAB COc1ccc(-c2[nH]c3ccc(F)cc3c2CCC(=O)N2CCC[C@@H]2c2ccncc2)cc1 12554856 NANBBTHFZWAUID-RUZDIDTESA-N 443.522 5.674 0 40 IKAB Cc1nc2ccccc2c(C)c1C(=O)Nc1nc(-c2cccs2)c(-c2cccs2)s1 13004054 SHGJHASFJXGBIC-UHFFFAOYSA-N 447.610 7.017 0 40 IKAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1cc(Cl)c(Cl)cc1Cl 13041015 LKHFQQNLRSJFPP-UHFFFAOYSA-N 433.166 5.061 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)cc1 13128042 PVMGHMROWWABQH-QHCPKHFHSA-N 433.602 5.958 0 40 IKAB CCOc1ccc(OCc2ccc(-c3nnc(-c4cc(F)c(F)cc4Cl)o3)cc2)cc1 13129838 PETSYUXIPVPMAT-UHFFFAOYSA-N 442.849 6.313 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(CSCc2ccc(Cl)cc2)s1 13569938 RTGAXRFTABONAI-UHFFFAOYSA-N 425.366 5.922 0 40 IKAB Cc1ccc(C2=C(Cl)/C(=C\CN(C)C)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 13647736 XGYTWGZBVRWFDM-ZDQFFALBSA-N 433.954 6.754 0 40 IKAB O=C(c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21)N1CCCCCC1 13717257 SWVJAQKQEGSXDM-UHFFFAOYSA-N 443.572 6.538 0 40 IKAB O=C(/N=c1\ccccn1C(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 13987752 MYRLNMWNNVVGPN-JJIBRWJFSA-N 440.113 5.531 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCC3)cc2)c1Cl 17095620 WBNGGZNSPCSTFF-UHFFFAOYSA-N 427.759 5.881 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1Cl 17096737 XCCIUXHFBHUULA-FPYGCLRLSA-N 430.154 5.282 0 40 IKAB Clc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17178949 GZMLBVYFJNAVGE-UHFFFAOYSA-N 440.938 5.867 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1C/C(=C\c1cccc(Br)c1)C2=O 17242990 OMJIZRMQBBHMOY-DHFGKNLESA-N 441.453 7.444 0 40 IKAB biogenic O=C(Nc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1Cl)c1ccc(Cl)cc1Cl 18194894 OSRLTIMBRVXDOQ-KBPBESRZSA-N 449.721 5.355 0 40 IKAB O=C(Nc1ccc(Cl)cc1)OCC[C@H]1CCCCN1C(=O)Nc1ccc(Cl)cc1 19075434 PZUBFEBVSOVOPX-LJQANCHMSA-N 436.339 6.019 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2OC2CCCC2)CC1 19082078 RHVZZTODTOPOSR-SANMLTNESA-N 449.639 5.519 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 20807951 VSFBBHUFIPNWNS-DTQAZKPQSA-N 448.522 7.530 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc(-c3ccccc3)nc2C)sc2c1CC[C@H](C)C2 21785281 SYBAAIADWHZJTQ-ZDUSSCGKSA-N 440.590 5.734 0 40 IKAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30859033 RYWYWUVFWCCVLJ-SFHVURJKSA-N 431.532 5.630 0 40 IKAB O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1CSc1nc2ccccc2o1 32719627 FVFFHNUKFYCLMA-UHFFFAOYSA-N 440.471 5.652 0 40 IKAB CC(C)c1ccc([C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)c2cccs2)cc1 32779039 BZHOCPJNIKSOII-HSZRJFAPSA-N 441.980 5.840 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 33000486 DXBUWOFDGDVCHL-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 33649276 LLMLRQVQKQCBRJ-UHFFFAOYSA-N 428.282 5.511 0 40 IKAB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccccc1C(C)C 33777630 MUYBBKGQIIFMRH-FYJGNVAPSA-N 431.492 5.313 0 40 IKAB COc1ccc(N(C)C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 34807610 CUBPITSUDQWHQX-UHFFFAOYSA-N 440.459 5.827 0 40 IKAB CCOCN(C(=O)Cn1c(/C=C/c2ccco2)nc2ccccc21)c1c(C)cccc1CC 35167676 HHMGEJRZFDKISR-FOCLMDBBSA-N 443.547 5.698 0 40 IKAB CCCn1c(SCc2csc(N(CC)C(C)=O)n2)nnc1-c1ccc(Cl)cc1 36229228 LEVKQFXXUHEAER-UHFFFAOYSA-N 436.006 5.130 0 40 IKAB CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 36613775 PLFLNBDZKBCJGW-GOSISDBHSA-N 426.626 5.693 0 40 IKAB COc1ccc(CN2C(=O)C(O)=C(c3ccc(OC)cc3)[C@H]2c2ccc(Cl)cc2)cc1 40485374 AUKSSJMULIYYMJ-HSZRJFAPSA-N 435.907 5.410 0 40 IKAB CCc1ccc(-c2c(C(=O)NCCCOC)sc3c2cnc2ccc(Cl)cc23)cc1 45943983 CLGPGAXNUNVREW-UHFFFAOYSA-N 438.980 6.099 0 40 IKAB O=C(Nc1ccccc1Br)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078431 IUJPHPOTBGRJSE-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)cc3)c2c1 49421533 MKEGPPCBRDMBCX-UHFFFAOYSA-N 432.545 5.827 0 40 IKAB COc1cc(OC)cc(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)c1 67258643 BRIBRHUHYQCVIP-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB Cc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293044 DYDQUPRWFMOYAA-LYYOGKFUSA-N 431.319 5.189 0 40 IKAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294495 NCYJEKGCFBDTKL-COOPMVRXSA-N 446.890 5.748 0 40 IKAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4C)=NN3C(=O)c3ccco3)cc2c1 71924251 RRJBDLMOSWTMKA-JOCHJYFZSA-N 445.906 5.790 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)CCn2ncc3ccccc32)n1 72372566 ZJNOTXVOQIAEEI-QFIPXVFZSA-N 446.580 5.002 0 40 IKAB O=C(c1ccc(Oc2ccc(F)cc2Br)nc1)N1CCC[C@@H]1c1ccc[nH]1 89767981 PDEJRJHIFQEOSI-QGZVFWFLSA-N 430.277 5.081 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@H]12 96306218 JPPPXYICMMZYFE-KFWWJZLASA-N 436.341 5.257 0 40 IKAB Cc1cc(C)cc(NC2=C[C@H](c3cccc(Br)c3)N(c3cc(C)cc(C)c3)C2)c1 103753489 BRRJVECBSVTZOY-AREMUKBSSA-N 447.420 7.240 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)sc2c1CCCC2 104710438 ODHBWTUOTQPOQY-INIZCTEOSA-N 429.582 5.641 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1cccc2ccccc12 106719997 ITMLPYSMAJJHBW-UCQKPKSFSA-N 429.472 6.475 0 40 IKAB CC(=O)N[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]21 118932537 HKIHSDNRYFUGCU-OJALXQQISA-N 443.716 6.503 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(COc2ccc(Cl)cc2Cl)o1 196384157 KJPJRHAWDIRCTN-UHFFFAOYSA-N 430.209 6.437 0 40 IKAB ClB1n2c3c4ccccc4c2Nc2c4ccccc4c(n21)Nc1[nH]c(c2ccccc12)N3 206548175 HCWDPUSJIWLJQI-UHFFFAOYSA-N 434.699 6.555 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 223507579 SEVRKCYAORJNHG-OAQYLSRUSA-N 438.612 5.085 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223632366 IJJXMWARWKYGJE-WOJBJXKFSA-N 448.375 5.003 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2C)cc1 224205726 STKFVUIHEWGKKT-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(-c2ccccc2)cc1 224216308 DQNWWWCHQANGGV-UHFFFAOYSA-N 427.475 6.333 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1C 224256937 QXUGGBZOONSQHV-OALUTQOASA-N 444.423 5.700 0 40 IKAB CSc1cccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1 224333295 NUQWHDAOBRVQSU-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471735 AHTCWSACFDNWJE-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224518193 MAOPFXJXSPSMMK-QFIPXVFZSA-N 447.044 5.153 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 224591218 QUSNIDHXHCZQKI-DEOSSOPVSA-N 438.612 5.077 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)ccc1OCC 224732014 YJKUQQBVBZEYAK-UHFFFAOYSA-N 429.866 6.327 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COCc1ccccc1 224747281 QNGIYODGEFIGKK-UHFFFAOYSA-N 440.337 5.817 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cc(Br)ccc1Cl 225068733 FVGLNLNDMYDQKW-UHFFFAOYSA-N 446.797 6.956 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)cc1 225510586 MXJPFDVMSZUWTB-FQEVSTJZSA-N 429.358 5.973 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)cc1F 225687151 DEVPNRVIJMJGJL-MRXNPFEDSA-N 439.350 5.186 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225720714 NYCFJWGOIUMURN-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)c1ccccc1 225962049 RDVSOHVBWCQHKI-IBGZPJMESA-N 447.608 5.697 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)N1CCCCC1 408562594 CXJIOGZIIDBBPV-UHFFFAOYSA-N 437.392 5.491 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc(F)c1 408606277 IANJWXYIGJYQFR-UHFFFAOYSA-N 429.875 5.767 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)c1C 408699051 RDOMMCVBZPKECY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2cccc(Cl)c2Cl)o1 408811052 QLPDVFOOJZMAOY-UHFFFAOYSA-N 434.299 6.155 0 40 IKAB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Br)cc1 408825087 RHOSEDUNFZUZOG-ODLFYWEKSA-N 441.350 5.427 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 409006769 LKMFWUFNDZRLNO-GFCCVEGCSA-N 438.336 5.556 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3c(OCC)ccc4ccccc34)N(C)C2=S)cc1 409043952 NEUZSNNUODCQMD-JWGURIENSA-N 432.545 5.242 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3c(Cl)cccc3Cl)CC2)cc1 409050854 BHBABQBDOUMKRS-UHFFFAOYSA-N 433.379 5.782 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(Cl)cc1 409092833 ZNUNYSKQOWJFJL-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(F)cc2)C1=O 409106311 KYXNDIZIBZGPRB-LICLKQGHSA-N 436.302 5.223 0 40 IKAB COc1cccc(-c2ccc3c(c2)CN(CC(C)C)CCCCCCCN3C(C)=O)c1F 643570276 VWIBFQHYGGIFTP-UHFFFAOYSA-N 440.603 6.276 0 40 IKAB O=C(NCc1ccc(-c2ccccc2C(=O)O)cc1)OCC1c2ccccc2-c2ccccc21 1535645744 JBOOVNABXMMWTC-UHFFFAOYSA-N 449.506 6.091 0 40 IKAB CC1(C)c2ccccc2C2(c3ccccc3-c3c(Br)cccc32)c2ccccc21 2113448351 NXWYSVKENSCLBA-UHFFFAOYSA-N 437.380 7.452 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(Br)cc4)c23)C1 724005 VNDYHYRGEDDKAH-LLVKDONJSA-N 433.396 5.554 0 40 IKAB COc1cccc(NC2=C[C@@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 1426106 POWGERZNHCVNHT-SANMLTNESA-N 428.532 5.911 0 40 IKAB aggregator CCOC(=O)c1sc(NC(=O)c2cc3ccccc3cc2OC)nc1-c1ccccc1 1509297 MIMKSLQHSJHUII-UHFFFAOYSA-N 432.501 5.401 0 40 IKAB O=C(COc1ccc(-c2nnc(Nc3ccccc3)c3ccccc23)cc1)N1CCCCC1 2240352 IAIIHOYSXNBPJT-UHFFFAOYSA-N 438.531 5.432 0 40 IKAB CC(C)CCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2253757 VLDNNKKAJOOVPU-UHFFFAOYSA-N 426.879 5.151 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2390473 DNOCWJIAGGFHPZ-QGZVFWFLSA-N 447.558 5.299 0 40 IKAB CCCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 2754001 NWUGMDADFQDDOV-UHFFFAOYSA-N 447.556 6.070 0 40 IKAB CC[C@@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccccc1 3285543 XZPKJZRTYYDGKF-HXUWFJFHSA-N 439.964 6.167 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4862969 DRNMZJKMURLSBL-XCZPVHLTSA-N 426.560 6.806 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 6177658 FBFOHGNEWNILAP-UHFFFAOYSA-N 441.000 6.008 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1ccc(C)cc1C 8590504 HKKBQFBAPKRGRW-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB CCCSc1ncc(Cl)c(C(=O)N(Cc2ccccc2)c2ccc(OC)cc2)n1 8612122 IYJNYRHDKCQVRP-UHFFFAOYSA-N 427.957 5.488 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)N4CCCCC4)n2)Cc2cc(C)ccc2O3)cc1 8654532 WMJZVONBVYMLSK-UHFFFAOYSA-N 445.588 5.562 0 40 IKAB C[C@@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752882 CGIPRDFXZVBGCA-HKUYNNGSSA-N 449.476 6.185 0 40 IKAB CCCSc1nc(SCC(=O)OCC)c2c3c(sc2n1)CO[C@](C)(CC)C3 8772017 FUWCENLFVZULKM-LJQANCHMSA-N 426.629 5.090 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1cccc(O)c1 8820708 REJGIGWHJAXUCJ-MTJSOVHGSA-N 437.904 5.866 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccc(F)cc2)cc1 8838296 RZKSATDHOQETOI-JTHBVZDNSA-N 427.306 6.683 0 40 IKAB Cc1c(Cl)cc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)c(O)c1Cl 8843263 OTLLXLCELBGVPO-UHFFFAOYSA-N 444.358 6.351 0 40 IKAB CC(C)SCc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(-c2ccccc2)n1 8857333 TTYAPODURNKYRV-UHFFFAOYSA-N 439.028 5.765 0 40 IKAB CC(=O)Nc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccco3)n2)cc1 9119862 RWPLDFXDKPDUBM-IBGZPJMESA-N 434.546 5.779 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1cc(C)ccc1C 9122272 SSKQDVIOVBWMQG-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1C 9250374 DRBKVEUOVLSDSK-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB CCn1c2ccccc2c2cc(-n3c(-c4ccco4)nc4nc5ccccc5nc43)ccc21 9462128 BUXFELRPEYXDFG-UHFFFAOYSA-N 429.483 6.357 0 40 IKAB COc1cccc(NCc2nnc(SCc3c(C)noc3C)n2C2CCCCC2)c1 9514852 LUUWXGOSGXQTAR-UHFFFAOYSA-N 427.574 5.301 0 40 IKAB COc1ccccc1-c1cc(C(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)no1 9597848 DYQPTOWXLGYGQN-UHFFFAOYSA-N 443.290 5.154 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1F 9599206 YNRLLZDWNFMXHB-UHFFFAOYSA-N 433.911 5.462 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C(C)C)n2)cc1 9636630 ZTHZPYWVDREXNB-UHFFFAOYSA-N 441.531 5.392 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9767265 DANLTXLXULJRFO-QHCPKHFHSA-N 429.516 5.257 0 40 IKAB CC(C)Cn1c(S[C@H](C)c2nnc(-c3cccs3)o2)nnc1-c1ccccc1F 9835694 UFAGSLKNPDTUFP-CYBMUJFWSA-N 429.546 5.705 0 40 IKAB COc1cc2nc(SCc3ccc(C)cc3)n3nc(-c4ccccc4)nc3c2cc1OC 9838617 DHPIABYPVUYAAS-UHFFFAOYSA-N 442.544 5.562 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 9892167 BSEIHNTXEMZXLS-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 9953369 ZUEJHIKEFYJHQF-UHFFFAOYSA-N 445.038 6.335 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@@H]2c2ccccc2)cc1 10013801 JGCPKKZWKFVWQE-MUUNZHRXSA-N 432.523 6.608 0 40 IKAB Cc1nnc(Sc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)o1 12581105 NGCPWTFEJUSJLC-UHFFFAOYSA-N 447.010 5.968 0 40 IKAB COC(=O)c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 12692063 WMMOREQOEKNLEZ-UHFFFAOYSA-N 433.508 5.076 0 40 IKAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13026799 QZYYNGIXSZRFAF-VWLOTQADSA-N 430.548 5.285 0 40 IKAB COc1cc(Br)c(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OC 13130019 ONAGVBYZZHDBNV-KPKJPENVSA-N 434.311 5.091 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccc(F)cc1 13304813 KYKVVIFMXYJRNE-BMJUYKDLSA-N 432.262 7.991 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccccc1Cl 13568364 BVXNPRIJIVKXSA-UHFFFAOYSA-N 448.419 6.004 0 40 IKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Br)cc4)cc3c2C)cc1 15729523 OGQRQGUACMPULK-UHFFFAOYSA-N 448.316 6.295 0 40 IKAB biogenic CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 15882499 BRIBEXZHRANKBE-UHFFFAOYSA-N 436.558 5.318 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4cccc(F)c4)OC3=O)cc2)cc1 15945710 KUDVKLTUZFWRBY-HAHDFKILSA-N 443.474 5.687 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(Br)cc1 16011390 CKJMFGXQZMUXTP-UHFFFAOYSA-N 448.748 5.132 0 40 IKAB C[C@@]12CC3CC(NCc4ccc(OCc5ccc(Cl)cc5Cl)cc4)(C1)C[C@](C)(C3)C2 16606040 GZDKWLTYISREEJ-JZHSQQRGSA-N 444.446 7.411 0 40 IKAB CCc1ccc(NC(=O)[C@H](CC)n2cnc3scc(-c4ccc(CC)cc4)c3c2=O)cc1 16895674 FNJOAPRGMUDLDD-QFIPXVFZSA-N 445.588 5.840 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 17098551 VZHXNOWZSLVWIM-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(C(F)(F)F)cc1Cl 17099196 QMFZCSGBZYZOSN-FARCUNLSSA-N 434.639 5.782 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)sc2c1 17100032 VZYUTMFJMJDHSS-GQCTYLIASA-N 436.389 5.746 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 18105453 UXUHKBAGZLSJRR-FQEVSTJZSA-N 430.548 6.596 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 19646694 OUMMAIHSPFJXKE-HZPDHXFCSA-N 447.940 5.239 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)c4cccc5ncccc45)C3)nc2)c1 19688285 ZRRUSUJMGDQKHK-QFIPXVFZSA-N 437.543 5.249 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20151675 SLPYXFRILWYBMG-UHFFFAOYSA-N 442.968 5.517 0 40 IKAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(-c2ccc(Cl)cc2)nn1-c1ccccc1 24737362 HYQXHEHSVIUPNP-UHFFFAOYSA-N 441.878 5.495 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 24749838 JZDCMVRNTDXAFG-UHFFFAOYSA-N 429.925 5.243 0 40 IKAB CC[S@](=O)c1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 25256503 JKNCNBCALPZXHQ-WJOKGBTCSA-N 431.513 5.002 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Br)cc1 26124317 WSQUSCSJPNRUNI-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 27792683 GIWVFLOKDARPCX-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 32901026 ABNHTTONWHGSPX-LBPRGKRZSA-N 444.869 5.582 0 40 IKAB Cc1cccc(-n2c(-c3ccccc3)nn(CN3CCC[C@@H]3c3cc(C)no3)c2=S)c1 32932615 VDCURGUTZRLNIA-OAQYLSRUSA-N 431.565 5.470 0 40 IKAB COc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)c(OC)c1 33021924 CFCVARAKXWDWMY-UHFFFAOYSA-N 440.912 5.157 0 40 IKAB COc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2cc(C)cc(C)c2nc1Cl 35290192 WUUZKEYQGZZUPE-UHFFFAOYSA-N 445.950 5.751 0 40 IKAB CC(C)c1ccc(Cn2c(=O)c3sccc3n3c(SCc4ccccc4)nnc23)cc1 35529639 ZJTQWOJPGAQWFU-UHFFFAOYSA-N 446.601 5.570 0 40 IKAB COc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 35600960 KGFLCLNPMXKFRV-KXBFYZLASA-N 426.866 5.303 0 40 IKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)N(C)Cc1nc2ccccc2n1C(F)F 36395304 OJTXZQJBXVVINS-UHFFFAOYSA-N 434.512 5.058 0 40 IKAB O=C(COc1ccc(Cl)cc1)NCc1ccc(-c2nc(-c3ccccc3)cs2)cc1 49597422 HQMABEROLPRVBG-UHFFFAOYSA-N 434.948 5.826 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 72375889 SKGUJDMAOIRMEE-QFIPXVFZSA-N 430.552 5.179 0 40 IKAB O=C(CSc1nncs1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 96504268 XQOCFGSSNLCUED-FVHRJPMJSA-N 446.601 5.453 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 100748067 OMDXLDUEOJWXPD-YIXXDRMTSA-N 428.532 5.677 0 40 IKAB biogenic CC1(C)[C@@]2(C(=O)Nc3cc(Cl)ccc3Cl)CC[C@@]1(C)c1nc3ccccc3nc12 100867618 JYBVZJLFWMPHMK-GOTSBHOMSA-N 426.347 5.904 0 40 IKAB CCOC(=O)c1sc(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)c(C(=O)OCC)c1C 101872325 HHCBCWOLTOIXIS-OXAUBPOISA-N 447.597 5.345 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1 212031189 OTMKWOHNWWOYEY-YBFXNURJSA-N 430.312 6.490 0 40 IKAB Cc1cc(Br)ccc1NCc1cc(Br)c(O)c(Br)c1 218892258 KNLUJPIKFZEINJ-UHFFFAOYSA-N 449.968 5.600 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 222629882 BYRAPEAMPMXCSZ-MRFFXTKBSA-N 440.366 5.693 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222812934 TTYINBPFOOAOIX-SFHVURJKSA-N 445.003 5.174 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223115663 DUEKODSBPBRTFJ-PKTZIBPZSA-N 447.560 5.345 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223317056 ZLLCZOSOOPJXSX-OAQYLSRUSA-N 447.044 5.544 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223701332 KALWQWLDMNEXTG-JOCHJYFZSA-N 432.967 5.054 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 223871762 WUMNYRGWEBEGFM-DHIUTWEWSA-N 445.569 5.709 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 224051722 FNFQVHJXGPJOQT-CQSZACIVSA-N 439.358 5.007 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)c(C)c1 224704082 DLDUQBBFUOFHLR-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB O=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224941651 QJAKVBBADZXERK-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225202469 LONLSYIDGFRAON-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225494249 XVMUBYMEDCWJQG-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 225577748 STVUVWSMIUBGOQ-QPPBQGQZSA-N 440.653 5.340 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCCCCC1 225659550 NBGGAMZPVMUGDJ-VXKWHMMOSA-N 430.633 5.501 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)o1 257232220 GJWGMJFYLBQYIH-JOCHJYFZSA-N 433.483 5.262 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3[C@H]3CCSC3)nn21 257294439 QUDLRRSRMZPSRT-NZUILWFCSA-N 428.549 5.247 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2C)ccc1Cl 408547643 KOGPILYIMYXSMB-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408640000 HCMINXSOEKYUAB-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1cccc(Cl)c1 408692375 LDBYJNWTXKNGFM-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1 408693776 DJZBEOLYPXMOFL-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)c(C)c1 408699284 SQRIDIVYUWEEBL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1C 409109669 JAWWMTJKIHOORF-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB O=C1NC(=O)/C(=C/c2cn(Cc3ccccc3Cl)c3ccc(Br)cc23)S1 409126786 HSHWYXOWSIIQGN-IDUWFGFVSA-N 447.741 5.429 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409250006 KXQBXZOAJQFPQZ-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c1 890918 WKQPOBKVEXNCBT-UHFFFAOYSA-N 435.446 5.649 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3OC)C3CCCCC3)cc2c1 916831 ZNCARDVHIZJRPD-UHFFFAOYSA-N 449.620 5.631 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccc(F)cc1 1164041 CSWYOWVRJXKMKG-XKZIYDEJSA-N 436.870 5.151 0 40 IKAB O=C(Oc1ccccc1)c1ccccc1OP(=O)(Oc1ccccc1)Oc1ccccc1 1562190 ITAUGYQZKIFSGL-UHFFFAOYSA-N 446.395 6.551 0 40 IKAB CCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc2c(c1)c1ccccc1n2CC)C3 2113043 YXPBRDXKSIDEDO-UHFFFAOYSA-N 438.527 6.230 0 40 IKAB biogenic COc1ccc(C(=O)c2sc3nc4c(c(-c5ccc(OC)cc5)c3c2N)CCCC4)cc1 2119220 PHJYRQTVWKNFKT-UHFFFAOYSA-N 444.556 5.673 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)c1cccc(Cl)c1 2657155 OJFPRHBIYXNOQW-HNNXBMFYSA-N 437.927 6.090 0 40 IKAB COc1ccc2nc(NC(=O)c3cc(-c4ccccc4Cl)nc4ccccc34)sc2c1 3211235 MFDMNHOEZPEWQD-UHFFFAOYSA-N 445.931 6.426 0 40 IKAB Cc1noc(C)c1CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 3261080 WJHCIHDFLMOZGH-UHFFFAOYSA-N 432.336 5.533 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3302990 MQVBRRANXAUKBN-UHFFFAOYSA-N 427.529 5.709 0 40 IKAB COc1ccc(-c2nnc(SCc3c(F)cccc3Cl)n2-c2ccccc2)cc1 3304378 LRENDJYTMHZTPK-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1nc(-c2ccccc2)cs1 3340110 QSKKIDMQEHKGQY-OAHLLOKOSA-N 432.501 5.156 0 40 IKAB COc1cccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 3352468 AZVHIHYTKXDYHY-UHFFFAOYSA-N 428.410 5.148 0 40 IKAB O=C(Nc1nc(COc2ccc(Cl)cc2Cl)cs1)c1cc(=O)c2ccccc2o1 3358969 LCHSJBZJDLLUCA-UHFFFAOYSA-N 447.299 5.388 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1nnc(-c2ccc(Cl)cc2)o1 3437652 CBWQSRZZNMRCLX-UHFFFAOYSA-N 442.306 5.157 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)O[C@@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 3443827 GWVGVVDFSBFWAM-KRWDZBQOSA-N 432.476 5.088 0 40 IKAB C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 3658685 KHGZSIKEOUGZRS-SFHVURJKSA-N 425.532 7.080 0 40 IKAB CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4561821 NTPVNNGNFGYPRG-ZBKJKTKLSA-N 426.604 7.212 0 40 IKAB CC(C)C[C@H](C)OC(=O)/C=C(\CC(=O)O[C@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 5454288 PKLUSOSWJPKLAL-FJSNMUHISA-N 426.594 5.236 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1ccc(Br)cc1)c1c(C)[nH]c2ccccc12 8396480 CIJDQEKUGMEWLJ-UHFFFAOYSA-N 429.361 7.209 0 40 IKAB O=P1(Nc2nc(-c3ccccc3)cs2)C=C(c2ccccc2)OC(c2ccccc2)=C1 9086832 YFJLMIFJNAQMNX-UHFFFAOYSA-N 442.480 7.528 0 40 IKAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)COc2ccc3ccccc3c2)cc1 9288849 KMHSRSBDLQQBQN-UHFFFAOYSA-N 449.514 5.133 0 40 IKAB CCOc1ccc(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)cc1 9391731 YMTFKOGVVHGTPK-UHFFFAOYSA-N 430.573 6.128 0 40 IKAB Cc1ccc(CSc2cn(CCNC(=O)c3cc(C)cc(C)c3)c3ccccc23)cc1 9391914 UXOVLQHKVAYGHW-UHFFFAOYSA-N 428.601 6.289 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cc(Br)ccc2Cl)CSC3)cc1 9404467 XOOXQOURFMONJB-UHFFFAOYSA-N 448.773 5.596 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc(F)c3)sc2c1 9449268 BEICASLKLKIKLL-NRFANRHFSA-N 442.471 5.600 0 40 IKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1SC[C@@H]1CCCO1 9466471 BEWSVZCEGXDCSV-SFHVURJKSA-N 435.574 5.586 0 40 IKAB COc1cccc(NC(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 9512397 HVGZKCYEEYWCPF-QHCPKHFHSA-N 444.560 5.116 0 40 IKAB C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9717169 YURMRYNSHZRIAX-GFCCVEGCSA-N 425.535 5.048 0 40 IKAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2ccccc2C(F)(F)F)c1 10186555 KGMAZMQDGVHGGW-UHFFFAOYSA-N 441.384 5.104 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)c1 10314527 GVRMZAFADOHQTH-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB O=C(CSc1ccccc1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1 10579173 GZDNKJWIVKEEBZ-UHFFFAOYSA-N 442.997 5.362 0 40 IKAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cccc(Cl)c4)CC3)C1)c1cccn1-2 12086188 HPMNYLUYUDYCMP-SANMLTNESA-N 449.982 5.215 0 40 IKAB COc1ccc(-c2cc(COC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC 12726848 RQLBDDUIGDTHGK-UHFFFAOYSA-N 441.911 5.567 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1C 12931896 SITUAENKSZHBQG-KNEUKCCGSA-N 438.641 5.087 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1 13025828 BNIIPVZHDUUOMJ-RUZDIDTESA-N 446.547 5.039 0 40 IKAB O=C(Nc1ccc(-c2nc(-c3ccc(N4CCCC4=O)cc3)cs2)cc1)c1ccco1 13128610 OKMBDXRYLGZSGR-UHFFFAOYSA-N 429.501 5.449 0 40 IKAB CCN(CC)CCC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 13133950 VRFIOUFAGYMSTB-HNNXBMFYSA-N 433.021 5.289 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 13513504 FUKFZDWBNKLDMY-UHFFFAOYSA-N 444.969 5.341 0 40 IKAB CSc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 13739161 UBEPKCCMZRADOG-UHFFFAOYSA-N 443.424 8.249 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 13799219 OXRDWATYMRNBEQ-RGFKIIKPSA-N 440.897 5.600 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1C 14063639 OASKWDUIUHUIBS-UHFFFAOYSA-N 431.732 5.075 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)Cn1[nH]c(/C=C/c2ccccc2)nc1=S 14197185 QDHXURUILCFEQS-ZHACJKMWSA-N 438.582 5.092 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(C(F)(F)F)cc1 14199867 XKUAXBXJGYAGFB-UHFFFAOYSA-N 437.849 5.389 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 14272235 PGMCBJPYVIHCGM-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc2c(Cl)cccc12 17097701 DMTVEJPYYLPPON-UHFFFAOYSA-N 431.702 7.417 0 40 IKAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17099386 RWQBHMMBEYLTRP-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB COc1cccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3cccc(OC)c3)c2C)c1 17100929 OZIINLBLXATSBX-UHFFFAOYSA-N 436.943 5.515 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17101823 LKMOLDSZKRFYSH-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691252 LYGXHUKWQLWNPA-RUZDIDTESA-N 434.511 5.199 0 40 IKAB Clc1cccc(-c2nnc(SCc3ccc(I)cc3)o2)c1 20197042 SKZOPZPMXIYUIU-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB CSC1=NC2(CCN(C(=O)Nc3ccccc3Cl)CC2)N=C1c1ccc(C)c(C)c1 20578279 DPKNCADMTVLJIG-UHFFFAOYSA-N 441.000 5.545 0 40 IKAB COc1ccc([C@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)cc1 21005511 VKGFYMJPVWSULX-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5ccccc5c4)cc3n2)cc1 22528777 KNVBLUSQKZRBCZ-UHFFFAOYSA-N 449.558 5.981 0 40 IKAB Cc1nn2c(-c3ccc(OCc4ccc(Cl)cc4)cc3)ccnc2c1-c1ccccc1 22607304 YDEOYNNAIQWQIT-UHFFFAOYSA-N 425.919 6.604 0 40 IKAB CN(Cc1c(F)cccc1Cl)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 23529301 VESONZRNZUSMIQ-UHFFFAOYSA-N 438.930 5.143 0 40 IKAB CCC(=O)N(c1nnc(SCC(=O)c2ccc(C(C)C)cc2C(C)C)s1)C1CC1 24991606 KXVIPMXBPBYARU-UHFFFAOYSA-N 431.627 5.665 0 40 IKAB Cc1cc(C)cc(NC(=O)CCc2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)c1 28208704 JVWQBCPAWBIXPE-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2Cl)ncc1Br 28403022 UHLZCYLETPTAAE-UHFFFAOYSA-N 434.746 5.437 0 40 IKAB O=C(O)C/C(=C/c1ccc(OC(F)F)cc1OC(F)F)c1nc2ccccc2s1 28495917 GDIQKOPPESZYHN-XFFZJAGNSA-N 427.375 5.514 0 40 IKAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 32070847 MVLCEDCIWYTJGW-NRFANRHFSA-N 427.533 5.084 0 40 IKAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1 33752138 SDKLWRWAVXGWGH-VJGNERBWSA-N 448.522 5.453 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 44904939 ZUWUCPSIQWWFMM-XMMPIXPASA-N 436.577 5.313 0 40 IKAB Cc1ccc(S/C(=C\Cl)CSc2nc(O)c3c4c(sc3n2)CCCC4)cc1 57505520 AMPPSGBDTDFKMW-UVTDQMKNSA-N 435.039 6.549 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 58962118 ZNQDYORMTTWVDH-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)sc1C 72375473 UHDJJXNFTNPIKA-IBGZPJMESA-N 436.581 5.656 0 40 IKAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccc(C(C)C)cc3)n2)cc1F 98211401 LQLRPWWTKYPUJU-UHFFFAOYSA-N 434.471 5.115 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 100743903 BZJSCPSCOYZACM-AQNXPRMDSA-N 436.600 5.484 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 101258008 YKEWWKPTTWZMRI-IYJAJMOOSA-N 432.446 5.902 0 40 IKAB CC1(C)c2ccccc2N2[C@H](C(=O)Nc3ccccc3)[C@@H]3C[C@]21Oc1ccc2ccccc2c13 102674418 PMHSFIULDHIJHK-GJPZQIGFSA-N 446.550 6.221 0 40 IKAB COc1ccc([C@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 102720327 OCXXIVZWHUWTGY-FYSMJZIKSA-N 446.503 5.617 0 40 IKAB Clc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)c(Cl)c1 106983724 XRWDLRSYLQWXLW-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(CSc1ccc(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)cc1)Nc1ccc2ccccc2c1 113627240 KTVCWHCDJUJPKD-GOTSBHOMSA-N 442.540 5.026 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 218872794 SIUZOEFIAYAMFH-UHFFFAOYSA-N 440.337 6.382 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 222985301 VQZZTDOIYIIMDO-CJFMBICVSA-N 430.548 5.591 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 223402549 GXHTVFFDGYHFFI-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223416597 RINRAOIEPJBLOR-ZEQRLZLVSA-N 432.593 5.180 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224006439 GQSFJTYTHMXGFG-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224045613 KSUIQZQQFUBQAN-GOSISDBHSA-N 429.004 5.167 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224210080 ACDFDTIFXHTRJV-UHFFFAOYSA-N 425.912 5.175 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 224269230 ZTYBLRNMSGDDEW-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224333846 CESCLDPZGLVOKL-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(Cl)c(C)c1 224545264 BZLRGMKGWLDNKI-UHFFFAOYSA-N 439.939 6.195 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 224650955 VTBXRWZHKUTOAJ-UHFFFAOYSA-N 425.594 5.297 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225555664 HHKMBFOLFWYDCI-HTAPYJJXSA-N 432.967 5.052 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225640669 ZKBVIIYHYOXAES-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 225969914 QMCWWEXPIVGNAG-UHFFFAOYSA-N 430.913 5.146 0 40 IKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(C(F)(F)F)cc2)C1 257263086 LOIFRXROAOTIHH-RZUBCFFCSA-N 439.905 6.483 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(C)cc1 408552128 HLEGTBNPGARTHE-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)c(Cl)c2)C(=O)O)o1 408632575 RMEYAVIRSJZCTE-MFOYZWKCSA-N 437.304 5.482 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1 408665180 ONSTXWHCTLDHEM-GOSISDBHSA-N 436.305 5.075 0 40 IKAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1cccc(F)c1 409083979 WXEGPMRGOBUXMM-STZFKDTASA-N 438.499 5.029 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 409112167 BRQJXLROIJBYQY-UHFFFAOYSA-N 425.528 7.069 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CC1CCCCC1 409130859 NTGAPGFPBCWXFA-HYARGMPZSA-N 425.525 6.021 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccccc2C)cc1 409132301 XFTSHIYUEHMIQB-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1ccc(-c2n[nH]c(O)c2C(c2ccc(C)o2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409369779 XEEJWNINWVUAAR-UHFFFAOYSA-N 440.503 5.576 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2C)c(Cl)c1 409370017 JLYXFCNJOVVFSG-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1 409381283 LGUQKTWIOOYCBE-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc(C)c(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)c1 585265088 GLZWTACGIAYSIR-UHFFFAOYSA-N 425.912 6.083 0 40 IKAB CC[C@H]1Oc2cccc(-c3cccc4c3P(C(C)(C)C)[C@@H](CC)O4)c2P1C(C)(C)C 1772769055 NJRKBHDYCXLDKH-PSTSRGLJSA-N 442.520 7.422 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(OC)ccc4Cl)sc3n2)c1 661205 PPTSTPSVZDAHLP-UHFFFAOYSA-N 439.924 5.468 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)c(C)c1 713857 QCHDMRVIUFOGAW-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1Cl 846621 AALYZQNBCPNFQQ-VWLOTQADSA-N 445.975 5.967 0 40 IKAB CCc1cccc(CC)c1N(COC)C(=O)Cn1c(Cc2ccccc2)nc2ccccc21 857496 MBIOZDGTZSMNQD-UHFFFAOYSA-N 441.575 5.389 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccco1)c1nc(-c2ccc(F)cc2)cs1 932858 QMSNEVKSYYEUEL-UHFFFAOYSA-N 442.899 5.808 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1C 1057903 PXVVFJKQJLSRKM-XMMPIXPASA-N 427.504 5.123 0 40 IKAB biogenic Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1336125 NKFMHVRYDVWXGW-RUZDIDTESA-N 447.604 5.217 0 40 IKAB CCOc1cc(NC(=O)c2ccccn2)c(OCC)cc1NC(=O)c1ccc(Cl)cc1 1341168 CVPSGMIGRWFPJQ-UHFFFAOYSA-N 439.899 5.037 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1378249 JLEFHPDPDQRXRP-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB COc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 1468224 SKLMINKLRXAJBC-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB Cc1ccc(C)c(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3ccccc3n2)c1 2078711 BJNDSAKSGJZOMH-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1sc2cc(Cl)ccc2c1Cl 2108747 DPXBAASMVMCOAE-UHFFFAOYSA-N 439.776 7.237 0 40 IKAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 2114751 RFACNSUJBJYPCO-XNTDXEJSSA-N 433.573 6.460 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1ccc(Oc2ccccc2)cc1)CO3 2117649 ZLMFPRCDWPPBEI-UHFFFAOYSA-N 447.490 6.609 0 40 IKAB biogenic CCCCc1ccc(N2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1 2122859 PLVFNRCPDXEHBH-UHFFFAOYSA-N 425.528 6.468 0 40 IKAB biogenic Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 2138402 SYVKGRFJZQLRNY-UHFFFAOYSA-N 427.759 5.963 0 40 IKAB O=C(CSc1nnc(-c2cccc(F)c2)n1-c1ccccc1)c1cccc2ccccc12 2190102 XGDKQJPGCLAYEQ-UHFFFAOYSA-N 439.515 6.202 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2432322 LJHIHQBNTUFWAO-YKSBVNFPSA-N 445.559 5.432 0 40 IKAB CCC(C)(C)c1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2440357 MATYKNKEFLKJTB-UHFFFAOYSA-N 442.559 5.839 0 40 IKAB Cc1ccc(C)c(OCc2cccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)c2)c1 2804433 OILOCQPSDGAQQY-UHFFFAOYSA-N 446.514 5.326 0 40 IKAB CCOc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 2892032 ZHPPBJWFEPMEGY-FYJGNVAPSA-N 445.446 5.097 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012842 JYGHPBDHKZMLTL-HIFRSBDPSA-N 445.228 5.696 0 40 IKAB COc1cccc(/C=C/C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)c1OC 3242781 JUXNRTDSRKKRFM-CCEZHUSRSA-N 447.512 5.090 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 3477770 BOFGHVOFHNWQFH-KSFYIVLOSA-N 430.581 5.635 0 40 IKAB CC1(C)CC[C@@]2(CO)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 4104781 PSZDOEIIIJFCFE-IDFRULMQSA-N 442.728 7.141 0 40 IKAB CC(C)OCCCNC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 4680112 PQBODFHKJQOUPX-UHFFFAOYSA-N 432.605 5.076 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC[C@@H]2CCCO2)cc1 7158337 ZMFSLZZUJDQCFF-DRBBDDIUSA-N 431.576 5.965 0 40 IKAB COc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Br)cc3)C2)cc1 8427359 LBKVJTXFBAFUBG-JOCHJYFZSA-N 441.756 6.467 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(C(F)(F)F)c2)cc1 8427426 OBNXIOQPIVMJTI-JOCHJYFZSA-N 430.857 6.723 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1OCC 8612510 QDBNYDMFFPRCDQ-UHFFFAOYSA-N 435.480 5.458 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)nc2ccccc21 8755869 AYNNXLKPFOGXGC-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1 8810050 PWPPZOLRWZARGZ-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB COc1c(C(=O)Nc2ccc(Br)c(C)c2)cc2ccccc2c1Br 8832265 JTQLTVBIMQUYHL-UHFFFAOYSA-N 449.142 5.934 0 40 IKAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(NC5CCCCC5)ncnc4c23)CO1 9034153 XCOWKYCJJOTGNZ-UHFFFAOYSA-N 444.604 6.502 0 40 IKAB CC(C)(C)c1ccc(-c2nnc3n2N=C(c2cccc(Br)c2)CS3)cc1 9190823 GQSKXCNCENNJKT-UHFFFAOYSA-N 427.371 5.363 0 40 IKAB COc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1Cl 9356187 HAKSTJVBPGRNDJ-UHFFFAOYSA-N 436.733 5.573 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccco1 9419091 KZDAAUSHMJOFKY-FQEVSTJZSA-N 431.879 5.139 0 40 IKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1 9500528 NQTRTAFQSDUNDQ-STQMWFEESA-N 436.364 5.710 0 40 IKAB Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@H]4CCCO4)s3)c12 9619897 FUTCSBZPKJEUEV-CQSZACIVSA-N 441.607 5.260 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)c2cccc(OCc3c(C)noc3C)c2)cc1 9669718 MEZMRUQKZZRPFW-RUZDIDTESA-N 434.536 5.637 0 40 IKAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(C)c1 9855903 JLZKZASKNYCJHM-UHFFFAOYSA-N 438.527 5.050 0 40 IKAB Cc1ccc(OCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)c(C)c1 11689786 GDTBQHKRCBOYCD-UHFFFAOYSA-N 431.355 5.131 0 40 IKAB COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2F)cc1O 11865070 ZUZLXAKLRANQPG-UHFFFAOYSA-N 447.466 5.259 0 40 IKAB biogenic Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN23)c1 12194413 FXSYKZIRKOHJLA-XLIONFOSSA-N 429.701 5.938 0 40 IKAB COc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(-c4ccc(OC)cc4)cc3)=NN2)cc1 12497655 VDXHCBPQSSTUDW-UHFFFAOYSA-N 447.538 6.113 0 40 IKAB CC(=O)N(c1nc(CSc2nnnn2C2CCCCC2)cs1)c1cccc(C)c1C 12805086 SVAZLRYQTRBWAI-UHFFFAOYSA-N 442.614 5.229 0 40 IKAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)c1 12871931 RNIOYLWECOGFDE-CYBMUJFWSA-N 435.380 5.117 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 13026945 KNEBWPZAFURYFX-RUZDIDTESA-N 430.548 5.073 0 40 IKAB CCC(CC)C(=O)Nc1cccc(C(=O)Nc2nnc(CSc3ccccc3)s2)c1 13944075 MXEGLXMDAKOVPN-UHFFFAOYSA-N 440.594 5.457 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)Nc1ccccc1C(F)(F)F 14152514 PCYWWBHJERMRJW-UHFFFAOYSA-N 447.269 5.528 0 40 IKAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC 14163859 YGSKFWIAJWJMKJ-KRWDZBQOSA-N 447.922 5.288 0 40 IKAB COc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)cc1 14773518 QHWZUPBTSBYXAP-UHFFFAOYSA-N 449.894 5.762 0 40 IKAB COc1ccc(Cl)cc1CN(C)Cc1csc(CC(=O)Nc2cc(C)ccc2C)n1 15551216 USOMFPIMMFSODA-UHFFFAOYSA-N 444.000 5.235 0 40 IKAB CC1CCN([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccs2)CC1 15859989 FLWNQQWABXADJB-HSZRJFAPSA-N 449.620 5.485 0 40 IKAB COc1cc(CNCc2ccccc2Cl)ccc1OCc1c(Cl)cccc1Cl 16196274 ZAOFXCIUYYAANM-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB CC1CCN(Cn2nc(-c3cccc(Br)c3)n(-c3ccccc3)c2=S)CC1 16609305 CXCDKNKUNOSDIU-UHFFFAOYSA-N 443.414 5.522 0 40 IKAB Cc1cc2c3c(c1)[C@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@]21Nc2ccccc2S1 17095084 POMSHNKGWLIECI-SVBPBHIXSA-N 426.585 6.201 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 17096947 HBEXGXPMTDWWEO-KRWDZBQOSA-N 430.504 6.034 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1cccc2c(Cl)cccc12 17101842 CYWVQCVAJRBMNW-UHFFFAOYSA-N 437.996 5.606 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)cc1 17161186 VEWBJQDRMRGUPF-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br 17312611 RTRYSOIFJKAPNF-HNNXBMFYSA-N 443.772 6.206 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 19294080 OGAWKTOIIYBTRF-OAQYLSRUSA-N 440.526 5.196 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140271 CMZJPXJTWSZMBI-UHFFFAOYSA-N 427.378 5.970 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 20453500 CUCFMCGUOSZNHP-NHCUHLMSSA-N 430.548 5.509 0 40 IKAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 20529124 ARBVPPXFHGMBIL-UHFFFAOYSA-N 439.943 5.033 0 40 IKAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccccc2)cc1Cl 22275062 VENJVRJTBVBDPC-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)nc3)n2C2CCCCC2)cc1OC 23374703 BYZGABCYCBKDES-UHFFFAOYSA-N 444.988 5.808 0 40 IKAB CCCn1c(SCc2cc(=O)n3c(n2)sc2ccccc23)nnc1-c1cccc(C)c1 24772158 VKUJTPBJMYGNTB-UHFFFAOYSA-N 447.589 5.178 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc([C@H](C)Oc2ccc(F)cc2)o1 27741266 SKXISBUUFVSVDS-AWEZNQCLSA-N 444.919 5.789 0 40 IKAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCCC2)oc2ccc(Br)cc12 27794572 CHXMTCUGXCNCSD-QGZVFWFLSA-N 447.398 5.522 0 40 IKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2C)cc1 28288733 YSABQCXHJWJCEJ-HHHXNRCGSA-N 428.532 5.420 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)ccc2Cl)c1=O 28538987 CCKKOKFHSVOOHD-UHFFFAOYSA-N 425.316 5.140 0 40 IKAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30758331 FHJIPSGQFBPYJF-VWLOTQADSA-N 445.559 6.020 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1 32691539 PZDIRWMDOUTXOF-UHFFFAOYSA-N 427.529 5.550 0 40 IKAB Cc1ccc2c(CC(=O)N(C)[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1C 32900320 FEHPCRBUGUHTHW-FQEVSTJZSA-N 440.543 6.064 0 40 IKAB Clc1ccccc1N1[C@@H](n2nnc3ccccc32)CCC[C@@H]1n1nnc2ccccc21 33413354 MTIZOFGVMJWOLE-GOTSBHOMSA-N 429.915 5.217 0 40 IKAB COc1cccc(CC[C@@]2(O)CCC[C@H]3[C@@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 34914719 IPWGEHIMZTUZSY-LJWNLINESA-N 438.608 5.332 0 40 IKAB Cn1c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)cc2ccccc21 62532497 DRGHWDMSGLNRDY-UHFFFAOYSA-N 446.117 5.587 0 40 IKAB COc1ccc(Cl)cc1C(=O)N1CCN([C@@H](c2ccccc2)c2cc(C)ccc2C)CC1 72265270 XKYMLGBFFVIOKD-SANMLTNESA-N 448.994 5.513 0 40 IKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c2ccccc12 96116785 VSDKNURJXFKBEG-VFNWGFHPSA-N 437.565 5.354 0 40 IKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)c1 100426889 GEBFSSNLCIRKTA-HFJWLAOPSA-N 430.935 6.978 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccccc1F 106697474 QELUVMMPOZBRGZ-OYKKKHCWSA-N 442.515 6.065 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 219766799 ANTVQKWSNLOINR-UHFFFAOYSA-N 448.950 5.797 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222983712 YHCRAIZLGFWRHQ-RTWAWAEBSA-N 446.403 6.421 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223088406 FQFIJRPYBPTVJQ-DNQXCXABSA-N 432.593 5.186 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1 223637900 YXJQFVYTRQEARB-UHFFFAOYSA-N 433.913 5.340 0 40 IKAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1 224167321 GANLIWFPFHGROT-UHFFFAOYSA-N 434.492 5.056 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224247403 UWXFGHDFGKTLQA-DNQXCXABSA-N 429.520 5.966 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccc(C)cc1 224339121 ANFJHUUAJHWTEX-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C 224443315 CWRGBBFDUGXWLL-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccccc1C(C)C 224563422 UHUCGMOZJLMJNP-UHFFFAOYSA-N 447.575 5.769 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1cccc2ccccc12 224637431 GYPYZGIXWZCCJP-UHFFFAOYSA-N 429.491 5.887 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224693477 GGSQFAZZJXQCOE-ZEQRLZLVSA-N 426.545 5.688 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 225337903 MKQRBZKKXZLVIT-GYZZIOIESA-N 446.572 5.246 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)cc1 225854601 YNQVONUSZHSCFI-UHFFFAOYSA-N 442.934 6.513 0 40 IKAB COc1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c2cccnc12 225877654 YNABPHDGPQPFOA-UHFFFAOYSA-N 440.012 6.129 0 40 IKAB O=C(O)c1cnc([C@H]2CCCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 257298392 RLLFSBQJVVFPPK-XMMPIXPASA-N 449.982 5.731 0 40 IKAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1ccccc1Cl)CCO2 257341230 ZJLANJJDHGGMTD-SSPYTLHUSA-N 431.935 5.124 0 40 IKAB COc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)cc1Cl 408574245 LFOIQMXUAXXBFL-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CC(C)Oc1ccc(Br)cc1/C=C(/Sc1nc2ccccc2[nH]1)C(=O)O 408632024 CQGGLGMYPIOCCU-LICLKQGHSA-N 433.327 5.330 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 408646774 WJHZSZQLNVOJLE-OAQYLSRUSA-N 428.532 5.595 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2ccccc2C)c1 408698452 PMMJYPAWIWEWLS-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409094635 FDZNKNQQBHNSEK-CAUNFOBBSA-N 447.512 5.017 0 40 IKAB CCOc1ccc(-n2c(SCc3ccccc3F)nnc2-c2ccc(Cl)cc2)cc1 409097069 LLWLLKBVOVRHPU-UHFFFAOYSA-N 439.943 6.418 0 40 IKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409360593 BCDJMYKIORUXMF-RTMICUHXSA-N 428.513 5.461 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@]12CC[C@]1(COC(=O)C1)O2 504379581 CVOGMLCVYFNXLE-DHQVWAPKSA-N 440.580 5.188 0 40 IKAB biogenic CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4F)c(N)c3cc2C1 661842 UPFFOZCTOQABIU-JTQLQIEISA-N 448.361 5.547 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)COc1ccc(Br)cc1Br 951435 HIPYBDAKJUFZJR-UHFFFAOYSA-N 433.527 5.191 0 40 IKAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)C(F)F)c1ccc(Br)cc1 1056402 RULUFLJKINSKMQ-UHFFFAOYSA-N 440.618 5.634 0 40 IKAB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1ccc2ccccc2c1 1264626 NJFUBPUPZGSWRK-UHFFFAOYSA-N 441.556 5.116 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 1380182 PDXOSXMIIAHIMA-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB CC(C)Oc1ccc(-c2csc3ncn([C@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1 1784778 DRPMSLWTFJWGBS-MRXNPFEDSA-N 440.565 5.349 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccccc1Cl 1798183 GYMNBLMMNFGTSQ-UHFFFAOYSA-N 448.034 6.829 0 40 IKAB CCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(N)cc3)cc2)cc1 1866156 MXRRYJULORAXHI-UHFFFAOYSA-N 433.504 5.666 0 40 IKAB CCOC(=O)c1sc(NC(=O)/C=C/c2cccc3ccccc23)c(C(=O)OCC)c1C 2233894 OQLSDRLSZARLDT-BUHFOSPRSA-N 437.517 5.215 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(c1nc(C)c(C)s1)C3=O 2245014 AEORTCSRKCTCFM-LJQANCHMSA-N 436.920 5.578 0 40 IKAB CCn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2372516 IBURHXXHEUUBRK-UHFFFAOYSA-N 430.573 5.273 0 40 IKAB CSc1nc(Cl)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CC(C)(C)OC4 2385261 GEKLGCBCAZCTER-UHFFFAOYSA-N 427.982 6.133 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccc(Cl)cc3Cl)nnc21 2404271 CGPLCVPOCMULMD-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)nc(C)c2cc1C 2419547 WMNPJVZUIIQJMZ-KRWDZBQOSA-N 427.483 5.140 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1 2687735 UDMJMQPBKOCWKT-UHFFFAOYSA-N 441.462 5.518 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(Cl)cc4)cc2-3)cc1 2689433 XVMFMKWVHSYROK-UHFFFAOYSA-N 429.907 5.922 0 40 IKAB Cc1ccc([C@H](Nc2cccc(C(F)(F)F)c2)P(=O)(OC(C)C)OC(C)C)cc1 3109477 NQRQSCJVSDBJJQ-HXUWFJFHSA-N 429.419 7.168 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 4104792 NJICGAVMYWKCMW-MBGMAIIBSA-N 442.728 7.738 0 40 IKAB biogenic,in-vitro Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c1 4122964 OEZRFWMAHCPJFF-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccc(C)c(C)c3)nc(-c3ccccc3)nc12 6860505 FLIGDEUCJHAYEF-UHFFFAOYSA-N 427.573 6.207 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)c1 8440363 WTZHSXFSKRXBFW-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3o2)ccc1Cl)c1cccc2c(Cl)cccc12 8590638 LCZQABKZOVQWMB-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CN(C(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccccc1 8673748 AMLKOAPMVXRSFT-UHFFFAOYSA-N 433.558 5.304 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3sc4ccccc4c3Cl)sc2c1 8683817 NUDBUQXZPYOHDI-UHFFFAOYSA-N 444.025 6.071 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Oc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 8686977 VLGXWFQMNVOYIC-CQSZACIVSA-N 436.562 5.297 0 40 IKAB CCCCN(CCCC)C(=S)SCC(=O)N1c2ccccc2CCc2ccccc21 8721991 IYIUTAYXBPYPAJ-UHFFFAOYSA-N 440.678 6.370 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)N(c4ccc(C)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789519 XITKOALUWQSSEZ-BTYSJIOQSA-N 449.554 5.868 0 40 IKAB biogenic CCN(CC)CCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 9310934 MZLWFAOGSKCVTM-UHFFFAOYSA-N 441.645 5.043 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCc3ccc(C(F)(F)F)cc3)c3ccccc32)c1 9391753 FLVRUAVMQSCFCX-UHFFFAOYSA-N 425.519 7.618 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 9411318 RPTDIMKJZOPARV-OAQYLSRUSA-N 427.495 5.032 0 40 IKAB CC(C)Cn1c(S[C@H](C)C(=O)Nc2ncc(Cl)cc2Cl)nnc1-c1ccco1 9442105 XRRHLAMUKVIUQC-LLVKDONJSA-N 440.356 5.015 0 40 IKAB CN(C)CCCN(C(=O)CCCSc1ccccc1)c1nc2ccc(Cl)cc2s1 9472817 OBAHKUHTZQPZFT-UHFFFAOYSA-N 448.057 5.807 0 40 IKAB O=c1c(N2CCN(c3cccc(Cl)c3)CC2)csc2ccc(Br)cc12 9569122 AQMPGWIZYYVHAY-UHFFFAOYSA-N 435.774 5.004 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)N=C2c2cccc(F)c2)cc1 9599146 ZKBADIRKSLHNEN-UHFFFAOYSA-N 439.556 5.458 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 9632832 CSUSGMINIPJGLU-UHFFFAOYSA-N 445.953 5.653 0 40 IKAB Cc1noc(C)c1CC(=O)N(C)Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1 9642132 JOYGFRSZFIPPRF-UHFFFAOYSA-N 448.954 5.058 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)cc1 9660211 UPLJXQCPPKLCTP-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic Cc1sc2nc(SCC(=O)N(C)Cc3ccsc3)n(C3CCCC3)c(=O)c2c1C 11385462 WMZIAIOIHQKQJR-UHFFFAOYSA-N 447.651 5.002 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O 11614380 GCACRAZBSNGVLE-HSZRJFAPSA-N 442.515 5.699 0 40 IKAB Cc1occc1-c1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)[C@@H](C)S2 11690123 OBAYWOGITOTKKC-LLVKDONJSA-N 445.331 6.160 0 40 IKAB CC(C)(C)C(=O)N1CCC(C(=O)N(CCc2ccccc2)c2nc3ccccc3s2)CC1 12876364 OIBOJTQLZPOXQE-UHFFFAOYSA-N 449.620 5.157 0 40 IKAB O=C(OCc1cc(F)cc2c1OCOC2)C1(Cc2nc3ccccc3s2)CCCCC1 12905101 FKFOZYBBIRYKSD-UHFFFAOYSA-N 441.524 5.538 0 40 IKAB CCOc1cc([C@H]2C=C(c3ccc(Cl)cc3)N=C3NC(c4ccccc4)=NN32)ccc1O 13076247 BVBKRZHWQFXOCF-OAQYLSRUSA-N 444.922 5.163 0 40 IKAB Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 13120390 KPOMPJLWFBFMNI-VWLOTQADSA-N 443.478 5.781 0 40 IKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccccc4Cl)nnc3c2c1C 13499983 YEYOHZJCYAPFJY-UHFFFAOYSA-N 446.001 5.463 0 40 IKAB O=C(Nc1ccc(S[C@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 13578939 KGWXZYSYDKVJOO-FQEVSTJZSA-N 442.968 5.283 0 40 IKAB O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634420 QDMMUPORYZGJSW-CYBMUJFWSA-N 426.954 5.044 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13942732 PVGNHLSZDKOIGN-SIBVEZHUSA-N 442.946 6.213 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 15588105 USLOIYNACSLDEC-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)N2CCC(Cc3ccccc3)CC2)o1 15881487 UYXBGVLVODRWSV-UHFFFAOYSA-N 442.563 5.296 0 40 IKAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2cccc(Cl)c2)C1)Nc1cccc(Cl)c1 16398973 SDPJZNCQPMLYAT-HOTGVXAUSA-N 449.382 5.743 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc(SCc2cc3c(cc2Cl)OCO3)n1 16430717 KWYYTKKMJLEIMJ-UHFFFAOYSA-N 430.860 5.898 0 40 IKAB C[C@@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1nc2ccccc2s1 16699224 CBOVVZMPYDEDAL-QGZVFWFLSA-N 444.556 5.606 0 40 IKAB O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)cc2Cl)o1 17095255 TZTCEALVEIDCRC-UHFFFAOYSA-N 427.259 5.658 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccc2c(Cl)cccc12 17098733 UZBFQEBCZUIRBU-UHFFFAOYSA-N 434.282 6.602 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 17100893 ZKLZQUGVSXCNMC-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 17101094 MFDWTUVEZBATMQ-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB CCOc1cc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC 19531976 OJHIHXPKRWCTPN-INIZCTEOSA-N 431.483 5.256 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(C)c(C)c2)cc1 19947026 JWNTZYLIMUAADD-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411329 IVSPROSFTUMZGZ-UHFFFAOYSA-N 442.559 7.068 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1C 20411339 NLBVIFXZNYFXII-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@H](C(C)(C)C)C2 20467905 OPDJXSREKVLFPY-LBPRGKRZSA-N 435.973 5.600 0 40 IKAB CCCCN1C(=O)[C@@H](C(=O)OCC)[C@@H](c2cccc3ccccc23)n2c1nc1ccccc12 20675442 MMSYQGHRZTWHTN-BJKOFHAPSA-N 441.531 5.105 0 40 IKAB CCC[C@H](CNC(=O)CSc1nnc(CSC)o1)c1ccc(Cl)cc1Cl 22094823 VOHPMJQFSGMBIJ-LLVKDONJSA-N 434.414 5.032 0 40 IKAB O=C(CCn1cnc2scc(-c3ccccc3)c2c1=O)Nc1c(Cl)cccc1Cl 25046077 FETNLXKTXQEQIM-UHFFFAOYSA-N 444.343 5.461 0 40 IKAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 25331856 WIINEMIKPFWHQB-QGZVFWFLSA-N 438.380 5.062 0 40 IKAB Cc1ccc(Sc2cnc(SCc3ccccc3)nc2C(=O)Nc2ccccc2)cc1 28403759 IHFHLPGLHXOUEW-UHFFFAOYSA-N 443.597 6.481 0 40 IKAB CN(Cc1ccc(Br)s1)C[C@@H](O)COc1ccc(-c2ccccc2)cc1 32843114 WAKCYTPVUIOWIC-GOSISDBHSA-N 432.383 5.049 0 40 IKAB CC(C)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088245 WOFFLZNXWAUAAW-UHFFFAOYSA-N 443.346 7.196 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 44886235 LRQIUGZSBPBLMI-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1cccc(CN(Cn2nc([C@@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 48354143 WXLLETMEJISFCN-GOSISDBHSA-N 439.604 5.096 0 40 IKAB Cc1cccc(-c2noc(CN3CCC4(CC3)C[C@@H]4c3nnc(-c4cccc(F)c4)o3)n2)c1 71890590 OQBLNLIECCWNLO-HXUWFJFHSA-N 445.498 5.004 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215168 OEQHMZAPEUFVEV-PKOBYXMFSA-N 433.593 6.084 0 40 IKAB CC1=C[C@@H](CNC(=O)C2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(F)cc2[nH]1 72320859 YOVUTAVETDKIAA-ONTIZHBOSA-N 425.592 5.796 0 40 IKAB biogenic,in-vitro CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@]2(C)C(=O)c1ccc(Br)cc1 102729733 DFIXEEFDUMGXRH-HUVFLSCGSA-N 449.300 5.083 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccc(C)c(C)c2)cc1OCc1ccccc1 107764824 LZXMADBSYPPOFS-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CCn1c(CNC(=O)/C=C/c2ccccc2Cl)nnc1SCc1ccc(Cl)cc1 108195989 WKUZYNPMANERFH-FMIVXFBMSA-N 447.391 5.227 0 40 IKAB COc1c(C)cc(NS(=O)(=O)c2ccc(C)cc2)c(-c2c(O)ccc3ccccc23)c1C 169809402 UWUZPURAKWHKMX-UHFFFAOYSA-N 447.556 5.947 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)cccc1OC 214944638 ICPQVZQANKOLBR-GZTJUZNOSA-N 448.338 5.093 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccc(CN2CCCCCC2)cc1 219964977 CZMNSCJGCQUVDD-UHFFFAOYSA-N 438.959 5.038 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 223116674 VBVZQEZPCHDWGP-PMACEKPBSA-N 440.603 5.388 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223563570 CBHRNXUIPQYRPE-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 223588633 ARAIWQZKTFRNCM-JYBCESJWSA-N 434.561 5.022 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 223770415 DUEITXJKYKTEMA-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223915868 BINDJUFZMMWZCK-RPBOFIJWSA-N 445.636 5.631 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)c(Cl)cc1Cl 224015286 ODLCJYDQYPRRHC-UHFFFAOYSA-N 444.815 5.385 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)[nH]1 224080321 CMCYDLFZOJSPKH-PKTZIBPZSA-N 447.608 5.107 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224191519 LWCWCAXFSSVAQW-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224191624 SAWOITUPKIWRAH-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224196569 ILJHSEJUWHCCNW-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccc(C)cc1 224337792 MEGSAVKYVHDVFH-UHFFFAOYSA-N 431.479 6.567 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1cccc2ccccc12 224629764 IHUFUAOHDNAYNB-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Cl)s2)cc1Cl 224948225 LNYUXLQSWFDKRX-ZWKOTPCHSA-N 436.389 5.636 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225155729 QMAKMIKKJHBTOZ-UXHICEINSA-N 445.003 5.139 0 40 IKAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225381806 ZUQLOUVJQMAXOD-DNQXCXABSA-N 432.593 5.402 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 225660283 JPTSTDWZNMKKIJ-XXBNENTESA-N 444.616 5.171 0 40 IKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 245227100 ABUKBCAATVFRLI-TXKDVJNZSA-N 427.544 5.441 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257280195 OJXASHYHIATOHG-GOSISDBHSA-N 449.457 5.218 0 40 IKAB CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3cccc(Cl)c3)N[C@H]2c2cccc(F)c2)n1 257307109 SXGWCQJXZLSRJZ-HJNYFJLDSA-N 440.950 5.256 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 408547821 NKKRFWWVFMKSEN-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408573903 FBJBFQRKYOKLTF-AWEZNQCLSA-N 430.356 6.344 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2cccc(F)c2)cc1 408624102 FINYWWMNFWJVEA-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1C 408664262 SNBYQNJQOCVYOG-PJYWLYPCSA-N 448.349 5.401 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(CCc2ccccc2)C1=O 409007960 SXACRUKTHHEPBF-AQTBWJFISA-N 432.339 5.127 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409180683 ZDGAOZCSOCRRPX-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB Cc1ccc(C)c(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)c1 409201717 XKOXXOGUAGVOIH-UHFFFAOYSA-N 440.612 6.071 0 40 IKAB C[C@@H](C(=O)N1C(=O)OC[C@H]1c1ccccc1)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 584641425 RIOFDRQIIZOAOT-FRBSRZPYSA-N 446.522 6.004 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCCN1C(=O)C1CCCC1 643583999 HJJQZMUOARXCED-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@H]34)[C@H]21 1083103386 RGMOWKMCHFVBQH-DGQTTZFYSA-N 435.490 5.012 0 40 IKAB C[C@H](NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 2037845417 CTXAQUVHJDAKHU-AWEZNQCLSA-N 448.369 6.166 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)c(F)c3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872767 MWMCUBZBCVEFFY-KFELQJHASA-N 444.518 5.868 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 2060993523 XUGISPSHIFXEHZ-ZBIHHWBOSA-N 428.701 7.960 0 40 IKAB O=C(CSCC(=O)Nc1ccccc1-c1ccccc1)Nc1ccc2ccccc2c1 710914 APYPPSHSCGGWHC-UHFFFAOYSA-N 426.541 5.817 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccccc1Cl 901324 PBAWHWMFEKTSEG-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB CCOc1ccc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2c1 917077 NZWQTIMMLSZRPY-UHFFFAOYSA-N 442.338 5.445 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 931498 PMUXGZWVOVOOQO-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 933909 ICPLWFNFCYKSPW-SFHVURJKSA-N 431.561 5.067 0 40 IKAB O=C(C1CCCCC1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cccs1 950302 AXWIJOBWQGLDCT-UHFFFAOYSA-N 443.590 5.675 0 40 IKAB CC(C)c1nc2sc3c(SCc4ccc5c(c4)OCO5)ncnc3c2c2c1CCCC2 1288595 ZYYSMOBVYUDMEY-UHFFFAOYSA-N 449.601 6.263 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1353163 GKUZKGMHHXGJDR-UHFFFAOYSA-N 445.950 5.767 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)cc2C[C@@H]1C 1366626 XMKKKPRGXRQZDJ-ZDUSSCGKSA-N 425.941 5.403 0 40 IKAB COc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccc(C)cc3)CC2(C)C)cc1 2299580 FWJMBOSGBRJCKS-NDEPHWFRSA-N 429.560 5.904 0 40 IKAB O=C(NCc1cccs1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2305481 TVPBGVRLADZYID-GOEBONIOSA-N 440.878 5.188 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 2446577 FCFWNGIDYXZNGD-OAHLLOKOSA-N 428.989 5.863 0 40 IKAB Cc1cc(OCC(=O)N2CCS[C@@H]2c2ccc(Cl)c(Cl)c2)cc(C)c1Cl 2752097 LZXFVBIPVDIMBA-LJQANCHMSA-N 430.784 5.917 0 40 IKAB O=C(c1ccc(Oc2ccccc2)cc1)N(c1ccc(F)cc1)c1nc2ccccc2s1 3235242 HULIONVMXGILIB-UHFFFAOYSA-N 440.499 7.206 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccccc3C)n2C)c2ccccc2)c1 3294924 XWDBWFQHKLJNFH-QHCPKHFHSA-N 442.588 5.879 0 40 IKAB COc1ccc(NC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)cc1Cl 3344681 KQROKNSKPTXBCG-UHFFFAOYSA-N 449.963 6.397 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3356550 XYYQDKAAUJGYHA-UHFFFAOYSA-N 440.584 5.526 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccc(C)cc5c4[C@H]4CC[C@H](C)C[C@@H]4[C@@H]3C2=O)cc1 5957573 VENREXJNMXUIOK-JCZRAQQWSA-N 428.532 5.292 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 8904196 CVQSIBUEFQWUHK-UHFFFAOYSA-N 440.565 5.090 0 40 IKAB O=C(Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 9066330 ZEVNTDUUQLSHFN-XTEPFMGCSA-N 446.506 6.148 0 40 IKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 9234759 MXKLKHKDQYOCAB-KBEAHSEHSA-N 438.527 6.013 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c(Cl)c1 9281161 YFVDRWSYNVHUJT-CVDCTZTESA-N 439.298 5.964 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2cccc(C)c2)cc1 9308033 SQYXLNYILOTJOX-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Nc1c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc2n1C1CCCCC1 9462180 TXYGANCATVYBCP-UHFFFAOYSA-N 433.943 5.255 0 40 IKAB Cn1ccnc1S[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 9642462 ZEZFICIZVJLVLP-INIZCTEOSA-N 425.863 5.564 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827836 HBHITGBGGULKKE-UHFFFAOYSA-N 445.862 5.914 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1Cl 9846239 QGJJSYBVQZYGMR-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB Cc1ccc(NC(=O)c2c(C)nn(Cc3ccc(F)cc3)c2Cl)cc1C(F)(F)F 10584692 MCVXFNNFBIFDDR-UHFFFAOYSA-N 425.813 5.612 0 40 IKAB CCc1cccc2sc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)nc12 10610756 CCFNVTLJGQZOEP-UHFFFAOYSA-N 433.602 5.720 0 40 IKAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2ccccc2)cc1OC 10646791 YBECLTNMYJHOBB-IBGZPJMESA-N 438.574 5.235 0 40 IKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)cc1 11852388 OLFZBHDQIRKBJE-JOCHJYFZSA-N 445.371 5.842 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4OC)ccc3oc2=O)cc1OC 11866199 BMNZQERKXHWLON-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O 11867554 AVEGMLMKSJLODA-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(F)cccc2s1 12140992 AMVXZKMAIWCGAE-UHFFFAOYSA-N 425.451 5.053 0 40 IKAB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1cccc(OC)c1 12484903 IGRRCRTZBGYRLK-UHFFFAOYSA-N 428.536 5.392 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(C)cc32)cc1 12486376 JSIKUAGBAKLBHB-UHFFFAOYSA-N 434.337 5.590 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)C3CCCCC3)cc2c1 12493819 HLNJYPDCPLUSQD-UHFFFAOYSA-N 438.974 6.753 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2cccc(C)c2)c1 12551455 NSGOUYIZOOSPPQ-GOSISDBHSA-N 429.545 5.656 0 40 IKAB Clc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc4ccccc34)[nH]n2)CC1 12961370 VTALGSJBDKQOPS-UHFFFAOYSA-N 436.386 6.916 0 40 IKAB Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13025711 OTIGYZHMRKPGJD-DEOSSOPVSA-N 434.511 5.170 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)s1 13134799 OGQBWIQFYVKXPC-CQSZACIVSA-N 425.579 5.533 0 40 IKAB Cc1ccc(Cl)cc1Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 13148443 XJXDRAXJFNOXIZ-UHFFFAOYSA-N 426.372 7.206 0 40 IKAB Cc1cccc(CC(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3ccncc3)cc2)c1 13227594 JNILJIKUYHDUFP-UHFFFAOYSA-N 436.559 5.496 0 40 IKAB Cc1[nH]c2ccccc2c1CCN(Cc1ccncc1)C(=S)NCCc1ccccc1 13283332 LGDDSSVNVFMRIP-UHFFFAOYSA-N 428.605 5.033 0 40 IKAB Cc1cc(C(=O)CSc2ccc3ccccc3n2)c(C)n1Cc1ccc2c(c1)OCO2 13526469 NXJWAZJBDHCPJF-UHFFFAOYSA-N 430.529 5.405 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 13752326 JDQHBPWQKKQQIU-UGSOOPFHSA-N 448.589 5.029 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4)cc3n2)c(C)c1 14272783 ZYXJKXHKJMIBFO-UHFFFAOYSA-N 447.970 5.789 0 40 IKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 15186453 BTVVBGCHNXKVKB-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB COc1ccccc1N1CC(=O)N(c2ccc(C)cc2C)[C@@H](/C(C)=C/c2ccccc2)C1=O 15412566 ZQSWSQIKTQGMNT-WRINRREJSA-N 440.543 5.164 0 40 IKAB Cc1cccc(OCCSc2nc3ccc(NC(=O)c4ccccc4F)cc3s2)c1 15832816 XZUFKZLGPKVQIP-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 16736118 RHQAAJHLXJDKIB-HSZRJFAPSA-N 429.903 5.543 0 40 IKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C(=O)OC 16757773 GOPSBTPMLPIPHA-IBGZPJMESA-N 437.952 5.785 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17098332 JLYUGQUIJSEQAJ-OAHLLOKOSA-N 433.331 6.889 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)nc2cc1Cl 17101696 MQABRVJXYUWGGE-UHFFFAOYSA-N 437.735 7.077 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 17103052 NQJOSEOXTGVUTQ-ZDUSSCGKSA-N 439.309 6.616 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)o1 19687271 XVIXZAHLOFTONA-FQEVSTJZSA-N 429.442 5.273 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)c2)cc1 19690663 GHSOSVZEPXRKMO-BCHFMIIMSA-N 442.559 5.295 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1cccc(Cl)c1 20168000 TXDVYVDOYADXAH-JKSUJKDBSA-N 449.956 5.383 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(F)cc1 20672744 IZHAFGDKIOSAFO-UHFFFAOYSA-N 443.404 5.072 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(C)c2)cc1 20970366 FDCJUMKVODWMHX-RUZDIDTESA-N 438.531 5.671 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4F)c3)oc2cc1C 21578928 VZZZRPRYBKPUNH-UHFFFAOYSA-N 433.508 5.686 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 21580782 QTSMRVKUJAKHMN-UHFFFAOYSA-N 435.911 5.526 0 40 IKAB O=C(NCc1ccc(OC(F)F)cc1)c1ccccc1SCc1cn2ccccc2n1 28437545 SGPKIRKXFZXNJO-UHFFFAOYSA-N 439.487 5.158 0 40 IKAB CN(C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@H]1CCCc2ccccc21 29258964 YUYQQPCGCDAPCI-HKUYNNGSSA-N 434.483 5.044 0 40 IKAB CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 33089200 HFXSCLYESRBCMA-ZDUSSCGKSA-N 425.326 5.257 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 33428907 GHSOXSYEOOZDAJ-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc4c(c3)CCC4)cc12 35533899 RXKSCJFQYPWXBR-UHFFFAOYSA-N 446.982 5.766 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(OC(F)(F)F)cc1 40074318 OWPYVLDFOJAOPD-GFCCVEGCSA-N 440.368 5.328 0 40 IKAB Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c(C)c1 57486347 UXJKGDQFHFQKLW-UHFFFAOYSA-N 430.617 7.092 0 40 IKAB COc1cc2nc(/C(Cl)=C/c3csc(-c4ccsc4)n3)nc(O)c2cc1OC 63277248 HRRMVOIORAVYQZ-ACAGNQJTSA-N 431.926 5.275 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccccc1C(F)(F)F 96119735 YXVMXYWRHVJMOJ-UHFFFAOYSA-N 429.423 5.660 0 40 IKAB Cc1ccc(C(=O)N2C(=O)N(c3ccc(Cl)cc3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100034185 MAXHEWSTUYGQJM-SQJMNOBHSA-N 432.907 5.971 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(OC)c1 102839775 ZRVPLKLACAGKSC-MSQSPTIYSA-N 430.548 5.474 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 106708321 XOADJOKMYOSSCQ-UNOMPAQXSA-N 446.366 5.783 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(OC)cc1 106993118 SRHHNLRMNMAHJV-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB CC(=O)O[C@H]1C[C@H]2[C@@H]3CC[C@H]([C@@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@@]132 119228236 GTIKQIIGVJEOLB-CSYSQGNFSA-N 428.701 7.649 0 40 IKAB COCCN1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 199406591 QLYBJYCZQPSOPI-AREMUKBSSA-N 430.548 5.254 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 222557750 DVTDHDYYFCCKSM-JOCHJYFZSA-N 447.044 5.463 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222852860 ZKAPSHAOIFYYSA-SFHVURJKSA-N 445.003 5.174 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2 223082059 GWTRZVSOGDZUMJ-QFIPXVFZSA-N 444.413 6.098 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1C 223141719 ZSHUENMIFJQSRG-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223492858 NXPVKUPXAWGGGW-MHZLTWQESA-N 446.566 5.301 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)c1 224228560 AVOZKMJPEXQYRM-RPBOFIJWSA-N 442.588 5.627 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1C 224275156 CHRCFHZHCZPITJ-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1C 224275997 DEZVUGPSBUBPEP-DQEYMECFSA-N 442.563 5.805 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224379316 ZAKZSKAYUSMHTG-SFHVURJKSA-N 449.422 5.342 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 224465348 SDDZVNKXDZJOEU-NRFANRHFSA-N 435.395 5.096 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224540471 GWXIYYOQSRBNMH-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1cccc2ccccc12 224630663 ZXBZRCXLJDLCBS-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224657873 NGWOXTQWOJGRCA-LOSJGSFVSA-N 441.556 6.261 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224753627 PSOVCCXHWLJWML-JOCHJYFZSA-N 434.624 5.356 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)ccc1F 224910148 XJXTVYWMPKZTFM-DNQXCXABSA-N 447.510 6.105 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225037140 ONEUXDHGQWPPAM-UXHICEINSA-N 445.003 5.139 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 225100928 XLBLSORRHFQLOY-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)cc1 225512126 DZESXOIHRMJKAA-VWLOTQADSA-N 429.589 5.506 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2ccccc2Cl)CC1 225881214 OTBZZUAFVAVRDD-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)C1)C1(c2ccc(Cl)cc2)CCOCC1 257224356 FBMFXPXEKVNPLC-FQEVSTJZSA-N 448.994 5.418 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2ccc3ncccc3c2)CC1 257226149 FJIMYJAVUBMNIE-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB CC1(C)[C@H](NC(=O)Cc2c[nH]c3ccccc23)[C@@]23CCO[C@H](c4ccccc4)[C@H]2C[C@@H]1C3 257292072 QJWABCCRFUIDLE-VRFUHRJBSA-N 428.576 5.409 0 40 IKAB CCOc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccccc1 408553728 BOHRCUXNZLCLAR-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3nc(C)sc3C)cc2)cc1 408581443 WUKVGMHHSZHAJU-UHFFFAOYSA-N 430.529 6.480 0 40 IKAB Cc1c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc2n1C 408631963 BTEWGQJMGYROBM-WQRHYEAKSA-N 425.897 5.408 0 40 IKAB Cc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 408703750 GSHUFBCTYVGEBV-XMMPIXPASA-N 436.964 5.675 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3cccc(C)c3)cc2)S1 408815598 XHBRBJIWKPLETJ-UHFFFAOYSA-N 445.564 5.654 0 40 IKAB COc1ccc(CSCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 408923310 BJDXEIGRMMWSOY-UHFFFAOYSA-N 430.422 5.285 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(Cl)c1 409118435 ZTDWDKXSGLWRFC-UHFFFAOYSA-N 445.946 7.332 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1CC1CCCCC1 409148772 RMLQEEWQKFPMOF-HYARGMPZSA-N 425.525 6.021 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 409350244 RGHAHMIRKOIQCR-HMAPJEAMSA-N 446.528 5.745 0 40 IKAB NC(=O)/C=C\c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 409416151 WZCOHUYWGFQFCO-RJRFIUFISA-N 435.532 5.487 0 40 IKAB Cc1nc(O)c(C(=O)N2CCN(c3ccc(Cl)cc3)CC2(C)C)cc1-c1ccccc1 1636640377 UTGYDYFJLXLABC-UHFFFAOYSA-N 435.955 5.157 0 40 IKAB COc1ccccc1N(C(=O)CCc1ccccc1)c1nc(-c2ccccc2)c(C)s1 643366 BCFOMMFBMTWORH-UHFFFAOYSA-N 428.557 6.425 0 40 IKAB Cc1ccc(-n2nc3cc(Cl)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 678765 ZGBABTVRITYIAA-UHFFFAOYSA-N 443.359 5.767 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 729263 HWGBZQVVUQTJTP-UHFFFAOYSA-N 442.924 5.391 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CCC(Cc3ccccc3)CC2)cc1 937993 VPNUQWGZHVZBRV-UHFFFAOYSA-N 448.632 6.081 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)c1 989982 YQLXZIDZXYEJHU-UHFFFAOYSA-N 439.309 5.352 0 40 IKAB Cc1c(C(=O)N2CCN(c3ccccc3)CC2)[nH]c2ccc(OCc3ccccc3)cc12 1082570 WHGIESPWGFHAOV-UHFFFAOYSA-N 425.532 5.018 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 1333730 NCCYTSKNTZJMRY-HSZRJFAPSA-N 438.618 5.494 0 40 IKAB CCOc1ccc(C(=O)N2c3ccc(OC)cc3-c3c(ssc3=S)C2(C)C)cc1 1806108 AVTGNUFRHVTIGH-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2ccccc2C)c2ccc(OC(=O)c3ccccc3C)cc21 1840312 LCJRTPKZCDYIDW-UHFFFAOYSA-N 425.528 6.365 0 40 IKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2cccc(Cl)c2)cc1 2214327 MCWRWJMHWDQLKF-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 2286257 PBSCWBGWMFRAPA-VWLOTQADSA-N 440.008 6.165 0 40 IKAB FC(F)(F)c1cccc(N2CCN(c3ncnc4c3[nH]c3ccc(Cl)cc34)CC2)c1 2337122 BZPMUHLHDPIRQX-UHFFFAOYSA-N 431.849 5.110 0 40 IKAB CC[C@@H](C(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C)c1ccccc1 2350106 LAOSKSVUWLAUEG-MRXNPFEDSA-N 441.643 6.990 0 40 IKAB COCCCn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 2662573 LLBOFVZGCJVCPC-UHFFFAOYSA-N 440.956 5.091 0 40 IKAB CCOP(=O)(OCC)[C@H](Nc1ccccc1)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 3154721 WBIROPODPDTISW-QHCPKHFHSA-N 447.556 7.364 0 40 IKAB biogenic COc1cccc(OC)c1C(=O)OCC(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 3226436 WNBJXFFFPPTIPC-UHFFFAOYSA-N 448.519 5.046 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)COc2cc(Cl)c(Cl)cc2Cl)c(C)c1 3239179 ASGRUGIOIQZBDD-UHFFFAOYSA-N 430.715 5.133 0 40 IKAB O=C(Nc1cccc2c(NC(=O)c3ccc(Cl)s3)cccc12)c1ccc(Cl)s1 3258108 UFNGXGPMRMGAFC-UHFFFAOYSA-N 447.368 6.774 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccccc1Br 3295543 WVDOKIKOIXRTEN-UHFFFAOYSA-N 446.300 5.704 0 40 IKAB CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4141551 SLBKHXVFFDZUIS-VWQFJMCTSA-N 434.536 5.015 0 40 IKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)N3CCc4ccccc4C3)c12 4888838 MIJYBGHVGUBSFL-UHFFFAOYSA-N 425.623 5.363 0 40 IKAB Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(NCc2ccc(Cl)cc2Cl)n1 8670735 AGAYXIREIJZWSY-HHHXNRCGSA-N 440.783 5.665 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 8817071 QHUCHETWCXZLTG-XTEPFMGCSA-N 442.559 6.507 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 8915723 GIPUBNXTJNSRCD-HSZRJFAPSA-N 437.587 6.147 0 40 IKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 8918490 JVNVZTKUUYCRQT-GCRKMBCISA-N 432.608 5.758 0 40 IKAB biogenic COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccc(Cl)cc1 9130452 HOMSYNIYTSGPER-UHFFFAOYSA-N 425.897 5.283 0 40 IKAB Oc1cc(OCc2c(F)cccc2Cl)ccc1-c1n[nH]cc1-c1ccc(Cl)cc1 9210795 QUDVTOIXVAAKLY-UHFFFAOYSA-N 429.278 6.474 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 9296233 STSTYHYOFHILIK-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)NCc2cc(Cl)c3c(c2)OCCCO3)no1 9349129 HUYWLELQBSAXSW-UHFFFAOYSA-N 444.940 5.020 0 40 IKAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 9789113 ZUZNYDUVWDRAIB-VWLOTQADSA-N 446.595 5.362 0 40 IKAB Cc1cccc(-c2nc(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cs2)c1 9813464 XALBTLMVYOOXLQ-UHFFFAOYSA-N 443.576 5.285 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)C[C@H]1c1ccco1 9971627 VGDBUFWLBPZHOA-NRFANRHFSA-N 445.906 5.150 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4sc5ccccc5c4Cl)n3)oc12 10747868 RKKZNPFKFIFURP-UHFFFAOYSA-N 440.933 6.685 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1 11196692 ISICGBXXSLHEBL-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2cc1OC(C)=O 11867605 NJXOWGCUGMEMQL-UHFFFAOYSA-N 433.407 5.576 0 40 IKAB biogenic Cc1csc(N(C(=O)CSc2nnc(C)n2-c2ccccc2C)c2ccccc2)n1 12595028 QATHMFJMRVXFQN-UHFFFAOYSA-N 435.578 5.106 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2c(c1)CCC2 13117504 GLBLHIUFDGSDAM-UHFFFAOYSA-N 439.968 5.309 0 40 IKAB Cc1cccc(Cc2cnc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)s2)c1 13147551 KNRNGQYYCNEGBX-UHFFFAOYSA-N 444.585 6.003 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1 13566761 FAOJBKUDRPYIST-UHFFFAOYSA-N 449.482 5.467 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 13842642 JNCRFPDIYVNLLB-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB CC(=O)c1sc(NC(=O)Cc2csc(-c3ccc(F)cc3)n2)nc1-c1ccccc1 15356246 GMIYPPDAGFNICF-UHFFFAOYSA-N 437.521 5.457 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 16033388 OTNJZKCUWMEFEG-IAQYHMDHSA-N 446.400 6.281 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC)c(Cl)c4)c3)nc2c1 16610800 DOMFMCIZBZRQQJ-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB Brc1ccc([C@H]2CC(c3cccc4ccccc34)=Nc3ccccc3S2)cc1 17211138 BYPDBBMFPDCYQN-RUZDIDTESA-N 444.397 7.960 0 40 IKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1ccc(OC(F)F)cc1 18004204 MHYRWBWNSDOBOK-UHFFFAOYSA-N 431.266 5.086 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 19402662 NVEUZSABFSVOCN-IGKIAQTJSA-N 440.591 5.013 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 19932212 GRPCZZUHOGBBJC-XMMPIXPASA-N 436.577 5.029 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 20610614 JFISPMHWQCZHBH-SAPNQHFASA-N 448.526 6.456 0 40 IKAB CCCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)(C)C)cc2)CC1 21578000 BRKQZQWMUOAJSP-UHFFFAOYSA-N 442.003 5.339 0 40 IKAB Cc1nc(C2(NC(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CCCCC2)no1 23508667 KUCQLNCCIKEDAN-UHFFFAOYSA-N 449.338 5.248 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccc4c(c3)OCCO4)nc3ccccc32)cc1 25394106 RMSQCJSHKADUNM-UHFFFAOYSA-N 446.528 5.170 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 26124429 DVQZGVHDOKXHDU-UHFFFAOYSA-N 434.927 5.814 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3OC)n2CCc2ccccc2)n1 27764385 YTFONJNEFNQUAO-QGZVFWFLSA-N 449.580 5.385 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2-c2ccccc2)c1 32685984 NLJWWHNPHGEDKJ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccc(N[C@@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 35031331 YAWXGPAFXBXPKZ-JZGRTCEGSA-N 449.850 6.599 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 38183366 DFVIBZGYPPWDPG-HSZRJFAPSA-N 431.540 5.001 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2cccs2)nn1-c1ccccc1 40050283 GBIXVVHJBPDXOV-UHFFFAOYSA-N 442.544 5.089 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c1 44916150 PMGIFXDKSUMOQY-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c1 59179508 LSZFYFJMJVOUCG-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1 67217169 LYVDDMQUNRZGDY-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB C=Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 72328617 CPYIWJYGQOXLTL-UHFFFAOYSA-N 443.909 5.883 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350227 VCORRQGKCOLPPH-GOSISDBHSA-N 443.469 5.321 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2ncc(-c3ccccc3)o2)c1 95947043 VLXLULRPSPDKDY-HXUWFJFHSA-N 425.532 6.063 0 40 IKAB COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccccc4)CC(O)=C32)cc1OC 100425614 FQZCNALJCICLHL-WINIVTDRSA-N 426.516 6.333 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccco4)C3=C(O)C2)cc1 100429421 UWZCCBFSICZUSI-DWXRJYCRSA-N 428.488 5.858 0 40 IKAB Nc1cc2c(cc1Br)[C@H]1c3ccccc3[C@H]2c2cc(Br)c(N)cc21 100498748 JDODGUUBJUQXKL-BGYRXZFFSA-N 442.154 5.363 0 40 IKAB O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12 100749990 DOCWRDCHTGLTCR-XMMPIXPASA-N 447.538 5.256 0 40 IKAB biogenic CCCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 102859552 SWKZQCSMBQILNV-MHZLTWQESA-N 432.608 7.744 0 40 IKAB Cc1ccc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(Br)c1 104862301 RZHLRKJTNLVUPW-CXTCDGGRSA-N 441.207 5.820 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)cc1 214512607 SDXSYOBFNUEKED-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 222456753 NHGWNVUXLKJXDO-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222830055 ZPIQUSGDZFNEMZ-AWEZNQCLSA-N 441.786 5.480 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 223389113 GVTIKIYFVWNYHJ-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](CC(C)C)c2ccccc2)c1 223942586 UUSBVIYJKNHHEV-XMMPIXPASA-N 436.577 5.313 0 40 IKAB O=C(NC1CCCCCC1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067334 NAZBCGHZBVYPCT-UHFFFAOYSA-N 441.380 5.247 0 40 IKAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 224083938 IKVYDCHVTWJAQS-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)cc1 224146589 OXINCTLTHSNDPD-MHZLTWQESA-N 442.603 5.012 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccco2)N1c1ccc(Cl)cc1 224460529 VTISBRYQRLPNQY-YADHBBJMSA-N 434.952 5.355 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(Cl)cc1 224503995 BNRHPHNBEJGVQP-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1 224538411 NZMDZOWSVQGOKH-QFIPXVFZSA-N 431.576 6.032 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Br)cc3)o2)cc1 224908555 BKKMMFUGCMLUIK-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)ccc1F 224914858 XTAZVRLRLQCBPK-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 225164624 XINLMLVQDLGTPJ-XMMPIXPASA-N 440.653 5.179 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225223353 JHYUQRVUYOBTKR-QFIPXVFZSA-N 445.003 5.176 0 40 IKAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225363095 NSEPLXDUWVXSDR-DQEYMECFSA-N 446.620 5.963 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225664335 XUAOYKPJHRETSU-UFPGJGBJSA-N 430.633 5.644 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 257291960 QJKQVBURSJEWEB-OAHLLOKOSA-N 449.551 5.290 0 40 IKAB CCOc1cc(CO)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 408538609 ALEWOVXVEISKSH-UHFFFAOYSA-N 428.912 5.398 0 40 IKAB COC(=O)c1c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)sc2c1CCC2 408570054 YGHVSZDNFLSWHJ-NBVRZTHBSA-N 437.948 5.856 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408637773 ABCFCZOWQPZZEU-FQEVSTJZSA-N 444.531 5.486 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)S2)cc1 408786748 MVTDDRDXJBWGGX-DNQIBQKISA-N 434.517 5.115 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409002349 NIYZIUPQMMIRJQ-MZNJEOGPSA-N 430.504 5.866 0 40 IKAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccc(C(C)C)cc4)n3C)oc12 409352621 XJHBEXFYJMHEBS-UHFFFAOYSA-N 436.537 5.091 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cc(C)cc(C)c3)n2)cc1 890755 OGHSKZBRJCGGFY-UHFFFAOYSA-N 447.482 5.519 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2)c(C)c1 1224390 CEBSLTBXBXNXJM-UHFFFAOYSA-N 441.556 5.586 0 40 IKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(Cl)nc2cc1C 1367804 FNDLEICJQGIRLK-UHFFFAOYSA-N 430.939 6.134 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1371289 ROSZZFMFTFECPQ-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB CCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1OCC 1904549 GZNQAAHPRHQCCZ-GZTJUZNOSA-N 446.499 5.460 0 40 IKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccccc2F)c1 2084086 VGUPCDRVLKIHRL-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2255049 UPLPLZCOZIBLIY-RPWUZVMVSA-N 444.897 5.592 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@@H]1C 2311972 OIVJVRFFZGVHGX-RXFWQSSRSA-N 444.550 6.529 0 40 IKAB Cc1ccc(-c2nc3c(c(S[C@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 2370711 ZAAORPHJHSKIMI-QGZVFWFLSA-N 433.577 5.423 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cc(Cl)cc(Cl)c1 2396092 RCIHYQNZYUHBOK-UHFFFAOYSA-N 449.319 5.217 0 40 IKAB CCCCCCn1c(N)c(S(=O)(=O)c2ccc(C)c(C)c2)c2nc3ccccc3nc21 2413432 VCAPVZUGPIBHMJ-UHFFFAOYSA-N 436.581 5.197 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4C)ccc3c2=O)cc1 2430478 VKPMFCHSRFAXNG-UHFFFAOYSA-N 430.456 5.649 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2S[C@H](C)c2ccccc2)cc1 2721739 KVSFYHPIHNXQJP-MRXNPFEDSA-N 441.599 6.398 0 40 IKAB COc1cccc(NC(=O)CSc2nc(NCCc3ccccc3)c3ccccc3n2)c1 2941514 NPYBKSHLXYWHTN-UHFFFAOYSA-N 444.560 5.024 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)c3ccc(F)cc3)cc2)cc1)c1ccc(F)cc1 3168079 HPJLSOKPPYKROB-UHFFFAOYSA-N 442.465 6.060 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc(OC)c1OC 3176824 NVYIDLIISGSATR-UHFFFAOYSA-N 446.528 5.755 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1cccc2ccccc12)c1ccccc1 3283168 DDXMKNOPFYDXSY-VWLOTQADSA-N 425.484 5.694 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(NCc4ccccc4)s3)cs2)cc1 3291447 VDLKVVWBKCSXHQ-UHFFFAOYSA-N 425.608 5.951 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(-c2ccccc2Cl)nc2ccccc12 3531632 XXNPLMRYICYCDZ-UHFFFAOYSA-N 441.874 5.962 0 40 IKAB CCCCCNC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4024644 BTQCHPRUVKAYMZ-BFIVMZSUSA-N 429.557 5.238 0 40 IKAB biogenic CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)NCc1ccccc1 5415254 HCPYXXUADPWWLI-OALUTQOASA-N 447.501 5.292 0 40 IKAB biogenic,in-vitro CC(C)Oc1ccc([C@@H](CCN[C@@H](C)c2ccc(Cl)cc2)c2ccc(F)cc2)cc1 5501234 HWPUVKJLWUXEAN-SIBVEZHUSA-N 425.975 7.139 0 40 IKAB CCCCCC(=O)[C@H]1[C@@H](c2ccc(C)cc2)CC(=O)[C@H](CCCC)[C@@H]1c1ccc(C)cc1 5707148 WRFIWFQYNGCGCJ-FKPPXMAGSA-N 432.648 7.716 0 40 IKAB Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1 8454186 ZQQZEACQJIADFS-UHFFFAOYSA-N 428.601 6.940 0 40 IKAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1nnc(-c2ccccc2)o1 8720224 ZOXHZDPTICVSSH-GFCCVEGCSA-N 427.327 5.743 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)cc2Cl)cc1 8733617 WUWJJWLQAVBDNR-UHFFFAOYSA-N 433.722 6.301 0 40 IKAB COc1ccccc1CNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 8751961 QKONWDRMWNLGKJ-UHFFFAOYSA-N 433.504 5.013 0 40 IKAB O=C1/C(=C/c2ccc(Cl)cc2)N=C(SCCC(F)=C(F)F)N1c1ccc(F)cc1 8781742 HXIAENYHAWBELE-BOPFTXTBSA-N 440.849 6.424 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902789 SHKJPQXLPPAEFI-UHFFFAOYSA-N 449.532 5.457 0 40 IKAB Cc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccc(Br)cc2c1=O 9076045 FNYGSUFMVJKDKM-MDWZMJQESA-N 433.305 5.333 0 40 IKAB COc1ccc(-c2noc(COc3c(Cl)cc(Cl)c4ccc(C)nc34)n2)c(OC)c1 9209190 FMYVXVQPRJBZGO-UHFFFAOYSA-N 446.290 5.496 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)n1-c1ccc(F)cc1 9296237 CSXNVXRJNRLLDZ-UHFFFAOYSA-N 444.841 5.118 0 40 IKAB CC1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 9428663 ZCCQDUWQCGXNAB-ZWZMAAFHSA-N 445.788 6.552 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 9788924 WGFNKMJFHJKWFV-HNNXBMFYSA-N 428.533 5.152 0 40 IKAB COc1cccc(-c2noc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)n2)c1 9868807 UZPYPTMNHDKKLV-GFCCVEGCSA-N 440.550 5.274 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)CCC(=O)O)sc3c2CC[C@H](C(C)(C)C)C3)cc1 9994992 YMSMHRMJYSMFAV-HNNXBMFYSA-N 442.581 5.263 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2C)cc1 10314992 AXWQLXSETZGMAL-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CN(C(=O)C[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@@H]1CCOC(C)(C)C1 12408607 TULKOYIVOUPXHN-TZIWHRDSSA-N 434.407 6.126 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccccc1 12492893 XJKKRQFSFSYJKQ-FQEVSTJZSA-N 442.588 5.730 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 12538669 ZGBQYQSRXOMEEV-LJQANCHMSA-N 433.914 5.393 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1Cl 12868793 QQOWAAZHOLKIKH-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccc(F)cc3)c3ccccc3n2)cc1OC 13008533 PODLJCCCRYNUTA-UHFFFAOYSA-N 430.479 5.330 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13016747 ZVGZNZDESKGHCG-ALOPSCKCSA-N 429.607 5.205 0 40 IKAB Cc1cccc2cc(CN(C3CCCC3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 13500604 HDZJPZWRVUTDQT-XMMPIXPASA-N 448.615 5.080 0 40 IKAB CC1(C)C[C@@](CCNCc2ccc3c(c2)OCO3)(c2cccc(C(F)(F)F)c2)CCO1 13555731 NSPYYTLYXJEXFA-QHCPKHFHSA-N 435.486 5.441 0 40 IKAB O=C(NCCCCCCCCCCCCNC(=O)c1ccc(F)cc1)c1ccc(F)cc1 13881877 LHMQAROMHKYMPP-UHFFFAOYSA-N 444.566 6.026 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccccc1OCc1ccccc1 13928531 XKGHHCDNLNULQN-ZHZULCJRSA-N 434.289 5.373 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)cc1 14069835 DTNIIMCECRIBFP-UHFFFAOYSA-N 435.380 5.643 0 40 IKAB Cc1ccc(C(=O)N(C)c2ccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 14139015 CGKOLDCDVVXQNP-UHFFFAOYSA-N 442.437 5.308 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Br 14649320 PBKHEWYRZUSMLR-UHFFFAOYSA-N 427.136 5.643 0 40 IKAB O=C1C[C@@H](c2ccc(Cl)cc2Cl)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081490 WLBOAPICLZMCSR-ZDUSSCGKSA-N 436.291 6.033 0 40 IKAB O=C1N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C12CCCC2 15305232 PUWWXXHXQNDHQC-KRWDZBQOSA-N 435.159 5.860 0 40 IKAB O=C(c1cc(Cl)nc2ccccc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 15934905 VQZLKPOYTPWWDY-UHFFFAOYSA-N 439.302 5.396 0 40 IKAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751110 LBGKWLAWCPUNDO-DEOSSOPVSA-N 449.547 5.716 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4c(C)cccc4C)nc23)cc1 16846063 RHHZQWXWAHGOSB-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(C(C)C)cc2)cc1 19330082 ZCSBSFFQOXOJGZ-UHFFFAOYSA-N 444.619 6.234 0 40 IKAB Cc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20493662 JLKKEZKKBYUMNP-UHFFFAOYSA-N 432.589 6.276 0 40 IKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)n1 20508459 GOYKRFFEUZDRIR-MOPGFXCFSA-N 425.579 5.088 0 40 IKAB Cc1ccc(S[C@@H](CS(=O)(=O)c2ccc(Br)cc2)c2ccccc2)cc1 22134008 BLHSHQUHPAWWJR-NRFANRHFSA-N 447.419 6.065 0 40 IKAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 23507437 TZLOLCRGIJCHAC-GOSISDBHSA-N 446.497 6.439 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c(C)c1 23830353 FIMWBSSBFRGQIY-UHFFFAOYSA-N 442.774 5.081 0 40 IKAB CCC[C@H](C)N[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 25388169 CCDWAUMLYUPPOD-PNLZDCPESA-N 442.625 5.508 0 40 IKAB CC(C)(C)c1ccc(SCc2nn(CN3CCCCC3)c(=O)n2-c2ccccc2)cc1 28527434 ZOYMXKYHKLMHDA-UHFFFAOYSA-N 436.625 5.067 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3cccc4ccccc34)nc2cc1Cl 32126521 RLKYAYONLANDGS-UHFFFAOYSA-N 427.938 5.238 0 40 IKAB Cc1ccc(/N=C2\NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c(C)c1 35646315 WHWBAPFMDNNXTK-JAIQZWGSSA-N 443.355 6.762 0 40 IKAB O=C(C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)N1CCC(Cc2ccccc2)CC1 38850892 WSGYPKJGYNFTIA-UHFFFAOYSA-N 445.434 5.687 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)CCOc1ccccc1-c1ccccc1 48333891 BLJWSGHTFCSCLA-UHFFFAOYSA-N 425.532 5.241 0 40 IKAB CCOc1ccc(-c2noc(-c3nn(-c4ccc(CC)cc4)c(=O)c4ccccc34)n2)cc1 64950069 QXFZWRZWCRGPQH-UHFFFAOYSA-N 438.487 5.064 0 40 IKAB Cc1cc(NC(=O)C2CCC(n3cccc3)CC2)n(-c2cccc(Br)c2)n1 69654427 ZOPJLJGOIMMSNH-UHFFFAOYSA-N 427.346 5.115 0 40 IKAB Brc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)cc1 101071678 BHRLTXVQLNPKJL-QFIPXVFZSA-N 429.321 5.764 0 40 IKAB CCOc1ccc2sc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)nc2c1 215717277 PFXJZCUWKWUXJR-UHFFFAOYSA-N 428.457 5.324 0 40 IKAB Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222737198 VKYJLPXPLKJMAN-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 222893280 SYBWDRGYLHIBCJ-ODHYRZOZSA-N 446.616 6.002 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 222982972 YWPTUHIUTFYFSL-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223043602 RPKIXEFPAFDNPC-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccn1 223552075 GWNJLCIYBCKSNJ-DHIUTWEWSA-N 446.963 5.563 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ncc(Br)cc1Cl 223990259 LCEARQWFHPJMDU-UHFFFAOYSA-N 438.822 5.686 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 224124957 DGAFUSFNXAWUOL-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 224509449 JZTWQRLCWQZJLA-QFIPXVFZSA-N 449.422 5.432 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(C)c2)c2ccccc2)cc1 225509571 ZIZUJYHRKIUPEX-NRFANRHFSA-N 425.395 6.142 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225612787 PJISGJYYJMDASR-HRAATJIYSA-N 435.395 5.258 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1c(C)cc(N)cc1Cl 226763124 LMDHANINVLUUNB-UHFFFAOYSA-N 448.542 5.017 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)o2)c1 257204143 ATFFHEAFEZFWKU-HSZRJFAPSA-N 447.510 5.570 0 40 IKAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257209132 BPECCAPTJRPVFD-HSZRJFAPSA-N 430.483 5.162 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 408558281 SRWSUQWUJZMBPT-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1C 408597146 XHIUSJRTMPJEOE-UHFFFAOYSA-N 446.576 5.149 0 40 IKAB COc1ccc(COc2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)cc2)cc1 408634396 QQMQFYYRVLSASY-HMAPJEAMSA-N 433.485 5.633 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1C 408696298 ZKRNYGHCLONTRZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3ccc(Br)cc3)nc2-c2ccccc2)cc1 408821707 AIERASNBRGAXSC-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(O)cc1 408840313 AMELASIUMSWWPB-NTUHNPAUSA-N 434.698 5.367 0 40 IKAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(Cl)cc1 409092771 WMQBPTVBLZESFM-MOSHPQCFSA-N 440.927 5.153 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 409114837 QNOYKWGSEZUCLX-BQUCVHFLSA-N 426.560 6.127 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c(C)n1C1CCCC1 409142651 AQUYSKNYSWJCRW-JAIQZWGSSA-N 449.403 6.763 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1Cl 409180833 SIWQMACPBWASAK-UHFFFAOYSA-N 432.259 5.170 0 40 IKAB Cc1cc(I)cc(C)c1NC(=O)CSc1ccc(Cl)cc1 409184478 YIQCPHWFXDEUBS-UHFFFAOYSA-N 431.726 5.292 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)C1=O 409220573 BQIKFZFLQPXUJR-XDHOZWIPSA-N 449.931 5.903 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(Br)cc1F 409309367 GDVJATWDZLCLFJ-UHFFFAOYSA-N 433.140 5.223 0 40 IKAB O=C([C@@H]1[C@H]2CCCC[C@H]21)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643588311 CUTXMOXVSNXVJO-PAJDZKLWSA-N 444.663 6.812 0 40 IKAB CN(C)C(=O)C[C@@H]1CN(C(=O)c2ccccc2NCc2ccccc2)c2ccc(Cl)cc21 677896291 SCHUBFRNLUYJQN-LJQANCHMSA-N 447.966 5.174 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 666601 SYYAIQVFGLHXIT-UHFFFAOYSA-N 428.879 5.895 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 867008 PBXZJTCEKAJLNC-HUUCEWRRSA-N 444.860 5.352 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2)cc1 890651 JOMMXMBPNVRQMV-KBPBESRZSA-N 439.503 5.053 0 40 IKAB COc1ccc(C(=O)N(C)[C@H](C(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 973594 PTKGOFGCYRLKJP-QHCPKHFHSA-N 436.939 5.417 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cc(C)ccc3n2)cc1 993088 GIYBAUQPSSVWOS-UHFFFAOYSA-N 429.447 5.398 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)OCC(=O)c1ccc(Br)cc1 1077902 CGRISEONSVORFQ-UHFFFAOYSA-N 437.289 5.503 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1 1265093 YCDHJOISHHKQEL-UHFFFAOYSA-N 443.576 5.035 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccsc2)c1 1333682 BTBRZKWIVFIALA-QHCPKHFHSA-N 438.618 5.494 0 40 IKAB aggregator CCOc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc2c1 1339489 SITYVHLHLOKTPB-UHFFFAOYSA-N 443.374 5.922 0 40 IKAB CC(C)c1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2c3c(sc2n1)CCCC3 1378865 MWKBXCYEMAGNEI-UHFFFAOYSA-N 440.590 5.440 0 40 IKAB CCOc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 1895100 KQBFHOJZXRIMPN-UHFFFAOYSA-N 443.572 6.822 0 40 IKAB Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc(Cl)c3)n2)cc1 2117992 UAPIOSQPPWMCCG-UHFFFAOYSA-N 425.919 6.275 0 40 IKAB biogenic COP(=O)(OC)[C@H](OC(=O)Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2144674 CDMXYWJALODUKY-VIFPVBQESA-N 444.557 5.436 0 40 IKAB Cc1nc2sc3c(N[C@H](C)CCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2307007 XZALMDHPLCSHNU-OAHLLOKOSA-N 432.593 5.832 0 40 IKAB Cc1ccc(-n2c(SC(c3ccccc3)c3ccccc3)nnc2-c2ccccc2)cc1C 2616040 HYYQOABLAIDCCT-UHFFFAOYSA-N 447.607 7.433 0 40 IKAB COc1ccccc1-c1nn(Cn2cc(Cl)cn2)c(-c2ccccc2OC)c1Cl 2733507 MPISEWBRJPVEDF-UHFFFAOYSA-N 429.307 5.243 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 3187476 YIZOHTKEJZRXSL-UHFFFAOYSA-N 448.931 5.712 0 40 IKAB Brc1ccc(-c2ccc(C3N(c4ccccc4)CCN3c3ccccc3)o2)cc1 3207896 ZXUDJQHUXAOWCL-UHFFFAOYSA-N 445.360 6.735 0 40 IKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ccc(Br)c(C)c2)cc1 3234553 FWJUALGBOZNHRH-UHFFFAOYSA-N 438.321 5.528 0 40 IKAB COc1cccc(N(C(=O)/C=C/c2cc(OC)ccc2OC)c2nc3ccccc3s2)c1 3269061 JWXSMUDWQMCBGC-SDNWHVSQSA-N 446.528 5.700 0 40 IKAB CCCN(CCC)c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3347554 SZHLZXPUEJMAOG-UHFFFAOYSA-N 432.058 6.752 0 40 IKAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)cc1 3372887 UMGXXKSEWJFUIU-NTCAYCPXSA-N 449.576 5.087 0 40 IKAB C[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 3658655 DDDSRYKODAYXOG-GOSISDBHSA-N 425.532 7.080 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@H]2CC[C@@H]1[C@@H](C)CCCC(C)C 5276918 VIXDHGDNWWEKMR-VIKYFBQLSA-N 430.632 8.203 0 40 IKAB O=C(Nc1ccc2nc(SCc3cccc(Cl)c3)sc2c1)c1ccc(F)cc1 8438357 URHSOMDJQGSRFG-UHFFFAOYSA-N 428.941 6.633 0 40 IKAB O=C(Nc1ccccc1F)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 8603847 LBBPJQZRKWJMBK-UHFFFAOYSA-N 432.495 5.979 0 40 IKAB O=[S@@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 8733539 NGDHDYCGGFLVCN-AREMUKBSSA-N 425.764 5.691 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2ccc(NC(C)=O)cc2)c2ccccc2)cc1Cl 8749341 QBPBTCBERCAIJD-QFIPXVFZSA-N 440.952 5.779 0 40 IKAB COc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)c(OC)c1 8917464 CQEOAXQNKJKSHT-UHFFFAOYSA-N 429.929 5.000 0 40 IKAB CCOc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 8922708 RABIIEYBWSXKTL-AREMUKBSSA-N 449.934 5.055 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 8924535 QAEIDRSQWZEQBG-LBPRGKRZSA-N 443.985 5.822 0 40 IKAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2Cl)cc1 9210969 MPLGCZBCEOENFG-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1C 9250105 XXZUAOGGIUTDOB-UHFFFAOYSA-N 447.604 5.861 0 40 IKAB COc1cccc2cc(-c3nnc(SCc4ccc(Br)cc4)n3C)oc12 9261547 AENWRQPVAMTKIH-UHFFFAOYSA-N 430.327 5.292 0 40 IKAB CCCCN(CCCC)c1nc(SC)nc2c1sc1nc(CCC)c3c(c12)CCC3 9282597 VNHCJAPCHJLQCX-UHFFFAOYSA-N 442.698 6.809 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(Cl)cc3)c2c1 9302553 PKZFELQKACRVCX-UHFFFAOYSA-N 443.886 6.674 0 40 IKAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9414233 ABECTXRKMAEFIA-JTSKRJEESA-N 447.608 5.184 0 40 IKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1ccc(NC(=O)c2cccs2)cc1 9469780 RHJBWSLSAJDLFP-UHFFFAOYSA-N 433.577 5.263 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(F)cc1 9518341 WTZZYRFPFADDEX-UHFFFAOYSA-N 432.451 5.404 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9561728 ZOECGRLOSPLDHD-VWLOTQADSA-N 449.558 5.138 0 40 IKAB O=C(CSc1ncnc2sccc12)N1CCc2sccc2[C@@H]1c1cccs1 11308116 OFOOBJFZKNOLPD-QGZVFWFLSA-N 429.617 5.081 0 40 IKAB O=C(Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 11990362 QSLDPHPBAYCTKB-ZEQKJWHPSA-N 436.467 5.741 0 40 IKAB O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1cccc(Br)c1 12287169 SKSVSFLESDEJOB-UHFFFAOYSA-N 437.359 5.730 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1ccccn1 12523270 QIMQNDOROBUIEQ-HNNXBMFYSA-N 430.426 5.179 0 40 IKAB CCC[C@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccccc1 12764076 XSMIMPIAGOJMEZ-FQEVSTJZSA-N 431.561 5.091 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)c1 12843145 NVZKNLOPQJSYMX-UHFFFAOYSA-N 447.554 5.187 0 40 IKAB COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 12888023 KLBYGMAPHYYCJW-UHFFFAOYSA-N 449.503 5.361 0 40 IKAB biogenic Clc1ccc(Sc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 12959224 UGFYUYMIDXXUPP-UHFFFAOYSA-N 433.429 7.106 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O 14095551 KEZJTHLKHBEQAJ-SFHVURJKSA-N 425.960 5.275 0 40 IKAB CC[C@@H](c1nnc(SCC(=O)c2oc3ccccc3c2C)n1Cc1ccccc1)N(C)C 14186188 HZADSRJTJRKODY-FQEVSTJZSA-N 448.592 5.369 0 40 IKAB COc1ccc(-c2cc(-c3nn4c(-c5ccncc5)nnc4s3)c3ccccc3n2)cc1 15024451 VUVDSGXSPLPKDF-UHFFFAOYSA-N 436.500 5.139 0 40 IKAB COc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 16214717 VMWGSERQIAUDPH-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB O=C(CSC(c1ccccc1)(c1ccccc1)c1ccccc1)c1ccc(Cl)cc1 16477642 NHPWWVAVKREDIS-UHFFFAOYSA-N 428.984 7.248 0 40 IKAB O=c1c2ccccc2nc(COc2ccc(Cl)cc2Cl)n1CCc1ccccc1 16479417 ZUEZJLBFUZPARI-UHFFFAOYSA-N 425.315 5.525 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 17095992 XKZXYSPHQTYLRF-SFHVURJKSA-N 428.536 5.568 0 40 IKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)Cc3c(C)noc3C)CC2)n1 19691739 OXDVZXQPOOWXNK-UHFFFAOYSA-N 437.971 5.188 0 40 IKAB N=c1n(Cc2ccccc2Cl)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 19706669 CFCAWNLIUUIUBK-NRFANRHFSA-N 446.765 5.664 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20107379 XPCHVEIYBCNNBK-NFQMXDRXSA-N 444.600 5.303 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(C)cc3C)nnc2c1-c1cccc2ccccc12 20672785 CYTBCFYDGJJOSQ-UHFFFAOYSA-N 435.531 5.684 0 40 IKAB O=c1c(Cl)c(Oc2ccc(C(F)(F)F)cc2)cnn1-c1ccc(C(F)(F)F)cn1 21673718 ZFPRXACOYDAUCY-UHFFFAOYSA-N 435.711 5.111 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)no1 24578154 COUWSONAIJXZKI-UHFFFAOYSA-N 436.562 5.663 0 40 IKAB Cc1cccc(Cc2cnc(NC(=O)CCc3nnc(-c4ccsc4)o3)s2)c1Cl 24759511 PPJCURYYGWWECK-UHFFFAOYSA-N 444.969 5.379 0 40 IKAB CC1(C)CC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)=CC(=[N+]2CCCCC2)C1 25326274 OPIOXTMHCOVXII-UHFFFAOYSA-N 442.671 5.735 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 25748447 PYDHVUMPFVBVEX-OAQYLSRUSA-N 429.608 5.738 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)nc2cc1Cl 32126646 OMXKFHSXSCNKRE-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB CC(=O)Nc1ccc(OC(=O)[C@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 32747485 FFUVETGRCOLSJX-RUZDIDTESA-N 430.529 5.361 0 40 IKAB CN(C)C(=O)c1ccc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 32971881 JGZUJGOMTIBODL-UHFFFAOYSA-N 431.517 5.074 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)Nc3ccccc3)cc2s1 33018271 PTBKJKBTJZBJCS-UHFFFAOYSA-N 448.573 5.980 0 40 IKAB CCCn1c(NC(=O)c2cc(C)nc3c2c(C)nn3-c2ccc(F)cc2)nc2ccccc21 36616097 NBSWBBXNQYVSJK-UHFFFAOYSA-N 442.498 5.188 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)C1 44905444 LMQRHQDQQTWFEL-NRFANRHFSA-N 446.566 5.567 0 40 IKAB CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccc(C)cc3)no2)cc1 46012165 BNLLZQMEMMJUTE-UHFFFAOYSA-N 429.476 5.128 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O 57426001 MLDABLBPMURTTG-UHFFFAOYSA-N 429.611 5.358 0 40 IKAB COc1ccccc1NC(=O)c1c(C)c(C)c(C(=O)Nc2ccccc2OC)c(C)c1C 59461458 ULYBTCLRNSQGCL-UHFFFAOYSA-N 432.520 5.442 0 40 IKAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1ccc3cc[nH]c3c1)C(=O)OC2 62001704 BNBAIJWMPUHVQL-PJQLUOCWSA-N 448.519 5.072 0 40 IKAB biogenic CSc1nc2ccc3nc(Nc4nc5c(C)c(Cl)ccc5s4)sc3c2s1 62007438 OWDPICPPVXKFCC-UHFFFAOYSA-N 435.024 6.943 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354042 LCHGKGXHKLNVJJ-LJQANCHMSA-N 425.985 5.419 0 40 IKAB CCc1cccc(CC)c1N(C(C)=O)c1nc(/C=C2/N=C(c3ccccc3)OC2=O)cs1 96924557 UQAKBGRDIMIFCD-KGENOOAVSA-N 445.544 5.297 0 40 IKAB CCCCc1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 102256216 CVDTWHLSRJOXMQ-JJIBRWJFSA-N 430.935 6.323 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 102794845 CXLDHSSULMVOMU-MNNSJKJDSA-N 436.555 6.955 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 106972127 DQPKPMZOXBKHLR-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(CNc2ccccc2)cc1Br 108198722 SUBSOZWLELKKJM-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@H]4C(Cl)(Cl)[C@@]45CC(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 118936492 UFSQBZDHAWVKPF-IHODEDDHSA-N 427.412 5.704 0 40 IKAB Cc1cccc2c(C(=O)N(C)C3CCCCC3)cc(-c3ccc(Br)cc3)nc12 138671728 MXXDLMBGNQTDQZ-UHFFFAOYSA-N 437.381 6.377 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222714514 QETQPKRNXQGNAO-GOSISDBHSA-N 447.044 5.214 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc2c(c1)CCCC2 223020421 MCECJEVOPVFMML-YMMDMIJKSA-N 425.572 6.382 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 223067797 NYWLMARYYIOZPS-RTBURBONSA-N 447.044 5.295 0 40 IKAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)CSCc1ccc(Cl)cc1F 223110708 KXHXBJUBNOREFU-UHFFFAOYSA-N 440.327 5.074 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223443313 OKXOBVHMPFGVKP-LOSJGSFVSA-N 440.572 5.054 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 223450710 LUUDKXZMQHBGBF-QGZVFWFLSA-N 432.402 5.928 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223551811 FEOCKSLRNKJUSD-PKTZIBPZSA-N 430.508 5.048 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 223778018 FTCMSXOVMUBBNW-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)c(OC)c1 224279197 DJKPMCAHAHZDHU-UHFFFAOYSA-N 435.520 5.469 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224365151 XHAVEWQQPUWBOI-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 224695925 UBOMTXZPSZCMSW-QHCPKHFHSA-N 429.004 5.079 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960850 KFZLUUGVESQNQW-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C 225341577 ODWYUTDEIUBPJD-ZEQRLZLVSA-N 434.609 5.484 0 40 IKAB CCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225583189 MCFURDLJMVCWAV-UHFFFAOYSA-N 436.379 6.086 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225587370 YOIRRBIDYUBRIY-GCJKJVERSA-N 447.044 5.295 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cc(Cl)cc(Cl)c1 225819156 LTBJVLNEZQTOPZ-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1 226333911 KNZZFQQGOLFHON-XBXARRHUSA-N 430.125 5.911 0 40 IKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c1 257338221 YWMJEODAGGAMAB-UHFFFAOYSA-N 446.934 5.999 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Br)cc1 408561555 JNGHOQSISXBUJK-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB Cc1nnc(S/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)O)o1 408630549 BMCLKVMXDJMWAQ-MFOYZWKCSA-N 437.304 5.482 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408687810 VDLODONKKUPGNM-ZDUSSCGKSA-N 439.298 5.884 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408696956 CROGLGMFGVGIHC-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)ccc1OCc1ccccc1 409072730 SCDDXOHBPBZJMO-HAHDFKILSA-N 447.512 5.524 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409076182 ZDMSNYONEFLMJE-ZSAINHDTSA-N 433.938 5.089 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c1 409175470 RPCJTDXKFFFGQH-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB O=C(Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)c1)c1ccccc1 409179098 PSUALUPFDLDWLR-SANMLTNESA-N 435.479 5.720 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1C 409259654 BZFKHCUBBUHNSZ-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)Nc3cnccc3C)ccc21 643576378 ZVCCXWSHYSITLZ-UHFFFAOYSA-N 436.600 5.170 0 40 IKAB O=C(NCC1CC1)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2 643580553 OISKPQNDVQQILM-UHFFFAOYSA-N 432.608 5.192 0 40 IKAB CCCc1ccc2c(c1)[C@@H]1O[C@H](CCc3cccc(OC)c3)[C@@H](C(=O)O)C[C@H]1C(C)(C)O2 2037872723 FGADLLQOPOKDIY-KBOSCXGNSA-N 438.564 5.599 0 40 IKAB CC(C)Oc1cccc(C(=O)N2CCC3(CC2)CN(c2ccccc2)c2ccccc23)c1 2055738846 VPIWIYLOPMFSEZ-UHFFFAOYSA-N 426.560 5.800 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCC(=O)NC(C)(C)C 679402 KEZAANAWAPDWJD-UHFFFAOYSA-N 429.319 5.047 0 40 IKAB CC1=C[C@@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@@H](C)C1 783599 WJBCXGNDJCUFGU-UXHICEINSA-N 434.621 5.713 0 40 IKAB COc1ccc(-c2c(CC(=O)O)c3cc(OC)ccc3n2Cc2ccc(Cl)cc2)cc1 1693964 FHXBHARPIAVAET-UHFFFAOYSA-N 435.907 5.654 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(OCC(=O)NC(c4ccccc4)c4ccccc4)c23)C1 2643065 PENXBINEISQLBD-QGZVFWFLSA-N 443.572 5.101 0 40 IKAB O=C1CCCN1CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2714670 MGPQCJLUPGYMRZ-UHFFFAOYSA-N 445.954 5.165 0 40 IKAB Cc1ccc([C@@H](NC(=O)Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615511 YXEJCZYQMDRJOZ-HHHXNRCGSA-N 439.559 5.638 0 40 IKAB O=C(COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccccc2)cc1)Nc1ccccc1 3616447 XCLRPKSHDNLDJY-MHZLTWQESA-N 449.510 5.475 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(C)c1 3619721 KGYBSUVZVPGLFR-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB CN1c2ccccc2Oc2nnc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)cc21 8444003 USLKWVMUQQPKEP-UHFFFAOYSA-N 449.558 5.262 0 40 IKAB Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@@H]2[C@@H]1c1cccs1 8455583 VEDPLASXZAZMKR-NHTYEUNYSA-N 439.631 6.257 0 40 IKAB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2C1=O 8832380 KZFOGBHBTPZPTL-WEVVVXLNSA-N 441.270 5.131 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 8901731 OLNSYDRUYBXUPM-MRXNPFEDSA-N 442.997 5.680 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)C1CCCC1 9019438 YXXGIIIVUXNKIL-CONSDPRKSA-N 445.606 7.533 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc12 9059052 LEGDXMRUVZHMJJ-UHFFFAOYSA-N 439.540 6.227 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nncn2-c2ccccc2F)c1 9111652 RTYXJXZTABVJSJ-UHFFFAOYSA-N 432.524 5.040 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)s2)cc1 9120369 DBCDBHFSLISFBO-SFHVURJKSA-N 442.610 5.162 0 40 IKAB COc1ccccc1-c1cncnc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O 9130550 QBYWBFYURYRQJW-UHFFFAOYSA-N 436.870 5.896 0 40 IKAB biogenic COc1ccc(-c2csc(NC(=O)c3oc4c(Cl)cccc4c3C)n2)c(OC)c1 9244475 HFPVIKZTCYGKRO-UHFFFAOYSA-N 428.897 5.788 0 40 IKAB Clc1ccc([C@H]2C[C@@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292374 XJGHNJDNTSCSLR-CTNGQTDRSA-N 438.756 6.599 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1 9299688 YADAOGGDORQDRB-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(-c2nc3ncccc3o2)c1 9355088 MENWPPNNTWUUNW-UHFFFAOYSA-N 448.693 5.868 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)c3ccc(C)c(C)c3)cc2c1 9428510 WSUVUVRAMJVVMK-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cc(Cl)c4c(c3)OCCCO4)ccc2OC)cc1 9607498 WTJRKLMCQQERDN-UHFFFAOYSA-N 439.895 5.438 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1 9703318 PJYWXGJFYZJYAW-UHFFFAOYSA-N 437.999 5.446 0 40 IKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2Nc2ccc3c(c2)OCCO3)cc1 9847379 AMDNMDDGXFJLFX-UHFFFAOYSA-N 446.528 5.199 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2cccs2)on1 11917430 HEEQKWAELRNRHY-UHFFFAOYSA-N 438.530 5.869 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2ccc(C)c(C)c2o1 12062518 ZOPFDIXEJIOQMQ-UHFFFAOYSA-N 447.512 5.567 0 40 IKAB Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)c(C)o2)c(C)c1 12414773 BTFISCCJEBELCW-UHFFFAOYSA-N 444.922 5.445 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)cc1 12697086 KEULHGJCJQNDOZ-UHFFFAOYSA-N 426.517 5.974 0 40 IKAB CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1c(C)cccc1C 12937812 ZBVSOPCEVCRKFW-MTJSOVHGSA-N 445.544 5.406 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3nc(-c4ccc(F)cc4)no3)ccc2OC)cc1 13121128 HYOKBLHLWZFJHQ-UHFFFAOYSA-N 447.466 5.131 0 40 IKAB CCN(CC)P(=NC(=O)Nc1ccccc1)(N(CC)CC)C(Cl)(Cl)Cl 13303286 WOPQZSDHZSMWBR-UHFFFAOYSA-N 427.744 6.261 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 13514324 QHTVUZONICQZCH-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB CCN(CC)CCCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 13734160 OFCFHMQHRHGOET-UHFFFAOYSA-N 445.434 6.547 0 40 IKAB COc1ccc(-c2cc3ccc4c(c3oc2=O)CN(CCCc2ccccc2)CO4)cc1 13735207 KBGVZSCAUSKLQZ-UHFFFAOYSA-N 427.500 5.253 0 40 IKAB biogenic CC[C@@H](NC(=O)c1cc(Br)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 13959839 RRNBEUCIJOYMHA-IWGLNFRWSA-N 442.344 5.775 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccc(N4CCOCC4)cc3)c2c1 14067053 QRAJYLQWVKEGTA-UHFFFAOYSA-N 445.588 5.613 0 40 IKAB O=C([C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1)N1CCCC1 14128974 DAVOYRMRLLSDFB-XMMPIXPASA-N 443.547 5.892 0 40 IKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(-c2nc3ccccc3s2)s1 14357018 PXQJSGZKYWCWAZ-UHFFFAOYSA-N 437.586 5.967 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1 14553052 AROHFQZWGNFGQZ-UHFFFAOYSA-N 441.163 5.527 0 40 IKAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OCc1ccccc1 15947665 SUSJHEJVLLRLIP-NPMXOYFQSA-N 434.561 5.889 0 40 IKAB CCc1ccc(NC(=O)CSc2nc(O)cc(CSc3ccc(C)cc3)n2)cc1 15979627 YAYHPNOFUGOPJJ-UHFFFAOYSA-N 425.579 5.076 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)Cc1ccc(Cl)cc1 16284378 AXFVGSZOGAVCCP-UHFFFAOYSA-N 426.907 5.717 0 40 IKAB O=C(c1ccco1)c1noc(-c2ccc3ccccc3c2)c1S(=O)(=O)c1ccccc1 16491582 FPYMTFPHJAISOA-UHFFFAOYSA-N 429.453 5.152 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 16736115 RHQAAJHLXJDKIB-QHCPKHFHSA-N 429.903 5.543 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccs1 17096728 LIAVLZVZQVLICH-UHFFFAOYSA-N 429.979 5.805 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(NC(=O)c3ccccc3C)c2)c(F)c1F 17097866 LWNQBRBHCCEQER-UHFFFAOYSA-N 432.373 5.065 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 17100653 APMPJQOOFBHAFS-MRXNPFEDSA-N 436.577 5.412 0 40 IKAB Cc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1)CN2C(=O)c1cccs1 19237245 XQPYDRFULYRCBQ-WXFUMESZSA-N 434.580 5.326 0 40 IKAB CC(C)[C@@H](Cn1nc(-c2cccs2)ccc1=O)NC(=O)C1(c2ccccc2)CCCCC1 19451132 FUWBJTWZASKWTA-JOCHJYFZSA-N 449.620 5.015 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)N[C@@H](c1cccnc1OC)C2 19550789 DWBBZFWLKIDXHT-DENIHFKCSA-N 445.346 5.391 0 40 IKAB CC[C@@H](NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 19636993 UHFFBTZUZCIZQP-JUYOQADGSA-N 442.607 5.843 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692258 YUNMICOYAXNELP-RUZDIDTESA-N 439.003 5.294 0 40 IKAB Cc1nc([C@@H]2CCCN2Cc2cccc(Cl)c2Cl)ncc1C(=O)N1CCCCC1 19756111 ZVNOXZPSHBYEIH-IBGZPJMESA-N 433.383 5.055 0 40 IKAB O=C(Oc1ccccc1-c1nc2scc(-c3ccccc3)n2n1)c1ccc(Cl)cc1 19927919 RSRWTEMRTAPLLO-UHFFFAOYSA-N 431.904 5.997 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 20062787 ZRYPFVKUKDXNBS-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccccc2)c1 20482755 GFCXCECRUCPGLK-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 22377720 ZOTXPCJKCSFKKH-GFCCVEGCSA-N 432.427 5.583 0 40 IKAB CCc1nc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cs1 24842216 FWOZZDAEWZQCFN-UHFFFAOYSA-N 448.404 5.947 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 25276509 UQMGBCXKNSABEC-UHFFFAOYSA-N 428.901 5.159 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](NC1CCCCC1)C(Cl)(Cl)Cl 27024444 KBOJCECEPHHEFJ-MPKXVKKWSA-N 436.638 5.312 0 40 IKAB CC(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 27637253 TXESXSBMPWUENI-UHFFFAOYSA-N 429.358 5.063 0 40 IKAB O=C(CS(=O)(=O)CCCc1ccccc1)Nc1ccccc1Oc1ccccc1Cl 31748041 LMUAUXRLWBNXCM-UHFFFAOYSA-N 443.952 5.118 0 40 IKAB CCc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 33408767 GUQPHTHFDCZIGV-UHFFFAOYSA-N 441.387 6.491 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1OC 33858229 SYGRXGBQXBHCCN-YQNUULROSA-N 431.941 5.762 0 40 IKAB CCc1ccc(NC2=NC(=O)/C(=C\c3ccccc3OCc3ccccc3Cl)S2)cc1 35042610 LWFXHJREJFZTGI-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(NC(=O)Oc2ccccc2)cc1 40119378 YWQNFECAKVFZMO-DEOSSOPVSA-N 441.487 5.200 0 40 IKAB CCc1nn2c(ncc3c(=O)n(CCc4ccccc4)ccc32)c1-c1ccc(Cl)cc1 40397437 XUPLLVSHUZHSOE-UHFFFAOYSA-N 428.923 5.170 0 40 IKAB CCOc1ccc(CC(=O)Nc2cccc(CNC(=O)Nc3ccccc3Cl)c2)cc1 72308041 TXWOPIGOJSUPGL-UHFFFAOYSA-N 437.927 5.242 0 40 IKAB Cc1c(CNC(=O)c2ccccc2Br)sc2nc(-c3ccc(F)cc3)cn12 90642930 CWAYLLUCFUMMLH-UHFFFAOYSA-N 444.329 5.203 0 40 IKAB C1CCC[C@H]2CCCN3CC[C@H](CCCCCC[C@H]4CCCN5CC[C@H](CC1)O[C@@H]45)O[C@H]23 90755008 PQYOPBRFUUEHRC-FRZROCRGSA-N 446.720 6.335 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1 101190110 HEAZSHWKQIGOPY-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB Clc1ccccc1[C@@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 104339815 YPVBRRIAPQVVGJ-WJOKGBTCSA-N 445.005 8.507 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(C)c2C)cc1 113938181 LBZKYHBERKZPRG-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(-c2ccco2)on1 208011078 PVZMUEUWAKDOED-UHFFFAOYSA-N 431.448 6.117 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 222411215 QHNGISYEFCQBHJ-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 223153407 CLJABEINGWPXGV-IBGZPJMESA-N 433.523 5.367 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 223153764 VGEBOAXJOFDOJV-IBGZPJMESA-N 439.408 5.029 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 223162959 OTASSGWJADBLDJ-ODHYRZOZSA-N 446.616 6.002 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223320734 ILMPNQSFLVTMCX-JOCHJYFZSA-N 449.422 5.603 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 223358137 RKTAERRRESUYLC-NRFANRHFSA-N 445.003 5.058 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)C 224153007 PVEDGCXDMAUPFK-XMMPIXPASA-N 436.596 5.055 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 224212132 ARBJCSIHFNWXGS-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)c1 224227936 IWTGMFFZQPTXLW-DQEYMECFSA-N 439.588 5.370 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224363347 NJLWZYPBNKNMNS-JWQCQUIFSA-N 442.588 5.825 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 224368591 VQFNOBUGFOKJOI-QHCPKHFHSA-N 442.600 5.174 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1cc(C)cc(C)c1 224534726 ZSNRVQQLELANOS-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224563050 IEPDFBRZASNCCH-UHFFFAOYSA-N 444.553 5.379 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224741432 FOMRTPJHWURNFF-QHCPKHFHSA-N 444.616 5.196 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225720337 CKKMJFBENGARMQ-OAQYLSRUSA-N 433.017 5.073 0 40 IKAB COc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)c2ccccc12 225920662 ZDLAFJZZUCJKRD-UHFFFAOYSA-N 445.437 5.558 0 40 IKAB c1ccc([C@@H]2N[C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccco2)cc1 253588454 DDHXGJCURYWKBG-RWSKJCERSA-N 439.558 7.416 0 40 IKAB CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@H]32)c2ccccc21 257199326 ZSAFBTBLHQRTRB-LPOSOKHSSA-N 445.651 5.576 0 40 IKAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC(F)F)OCC[C@@]31C2 257334514 YGGLFEUBSCCQAK-HPDDJIQVSA-N 437.527 5.095 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 257341670 ZLJCORPCPZPWRO-HSZRJFAPSA-N 447.022 6.419 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Br)cc1 408672316 VQOOMYMYMIXIHI-UHFFFAOYSA-N 426.266 5.037 0 40 IKAB O=C1S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1c1ccccc1 408900956 AOFQJCRROHQWCW-QGOAFFKASA-N 425.307 5.481 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409114870 QTGRUVSIKNWWEZ-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(C)cc2C)cc1 409381449 MJDPFMOUWZBNEC-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCCCC2)c2ccccc2O)cc1 524734716 GUWAIGJYHBVHAE-SANMLTNESA-N 443.587 5.941 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1COc1ccc(Cl)cc1 585266080 GQBHIFVGDTWHRG-FQEVSTJZSA-N 444.318 5.402 0 40 IKAB O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)c1sc2ccccc2c1Cl 648810 FVMPIUWXRKNAJU-UHFFFAOYSA-N 436.751 6.359 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cc(C(=S)N3CCOCC3)c2-c2ccccc2)cc1 663153 RUEJPEZFYAIGRD-UHFFFAOYSA-N 438.596 6.127 0 40 IKAB CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 823213 VOOLDIGNBZELOQ-KXBFYZLASA-N 439.364 5.595 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cccc(Cl)c2)c1C 871364 HACBTHANOFWZPR-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccc(F)cc1 992848 YVWGKEFGXLYRSW-UHFFFAOYSA-N 443.268 5.207 0 40 IKAB Cc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Br)cc3n2)cc1 1096483 ZZEVPVLPYSTXRY-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB CSc1ccc(NC(=O)N(CCc2ccccc2)CCc2nc3ccccc3[nH]2)cc1 1360726 KGWYBNCGCCTAII-UHFFFAOYSA-N 430.577 5.604 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NCc3ccccc3)cc12 1371657 SCQOYLSVUGZPSH-UHFFFAOYSA-N 425.532 5.057 0 40 IKAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 1380131 SNWOQFFAHQZKTN-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB O=C(Oc1ccc2sc(=O)oc2c1-c1ccccc1)c1sc2ccccc2c1Cl 1787745 MBOQMGZCNNRGFD-UHFFFAOYSA-N 438.913 6.609 0 40 IKAB Cc1cc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1Cl 1828791 KNDMTNPSXRSMIH-UHFFFAOYSA-N 425.315 5.758 0 40 IKAB CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)ccc12 2149320 OKAVNDVGHPARNX-UHFFFAOYSA-N 433.504 5.206 0 40 IKAB biogenic CCCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 2253115 ALXJMHMZERSIRG-UHFFFAOYSA-N 434.605 6.202 0 40 IKAB COc1ccc([C@H]2OCc3ccccc3N2C(=O)c2sc3ccccc3c2Cl)cc1 2378586 NJPTZDCOJPKLQI-XMMPIXPASA-N 435.932 6.439 0 40 IKAB C[C@@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2721846 IGIUYSNXNYSPMD-CQSZACIVSA-N 429.494 5.760 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cn2cc(Br)cn2)o1 2755765 YFHKPBDCWCKRHM-UHFFFAOYSA-N 448.626 5.211 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 3326851 MHWQYUKVYHPSHW-JOCHJYFZSA-N 448.566 6.338 0 40 IKAB COc1cc(CN(C)[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1OC(F)F 3433996 UFTRKPPPOOISDT-LLVKDONJSA-N 433.282 5.062 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658752 VEXMCQRNBYPIOQ-OAQYLSRUSA-N 447.560 5.530 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)CSc2cc(C)nc3ccc(OC)cc23)c1 6089786 GMFKACQROUGIOS-UHFFFAOYSA-N 426.538 5.080 0 40 IKAB COc1ccc(CN2CC3(Cc4c2ccc2ccccc42)C(=O)CC(C)(C)CC3=O)cc1 6659239 JHDWEXCFSZNVNN-UHFFFAOYSA-N 427.544 5.356 0 40 IKAB CO[C@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@H]1C 8298945 XRJBEZUZIKBOEI-BTNCHTMLSA-N 442.772 8.903 0 40 IKAB CC[C@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O 8414662 SKFHLRLOYXFONB-GHTZIAJQSA-N 433.577 5.168 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3C)OC2=O)ccc1OCc1ccc(C)cc1 8430367 OQMVRPMMXDBMJB-HAHDFKILSA-N 427.500 5.626 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)c3sc4cc(C)ccc4c3Cl)s2)cc1 8440054 HLENGOFEFNMZEU-UHFFFAOYSA-N 446.022 6.568 0 40 IKAB Cc1cc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)c(C)n1-c1ccnn1C(C)C 8747613 RRBJJWNTWAOPOC-DEOSSOPVSA-N 429.524 5.231 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1c(F)c(F)c(OC)c(F)c1F 8831975 IXKANVIDTHXGAN-UHFFFAOYSA-N 446.356 5.321 0 40 IKAB Cc1ccc([C@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccc(Cl)cc5)c4c3N2)o1 8844867 QJLJZJFDMMUESO-OAQYLSRUSA-N 435.936 6.250 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@@H](C(C)(C)C)C4)c(C)c1 8870322 LFGKVXVKVAWOBL-LJQANCHMSA-N 439.621 6.618 0 40 IKAB C[C@H]1CN(c2cc(CSCc3ccc(Cl)cc3)nc(-c3ccccc3)n2)C[C@H](C)O1 8888128 PSPHUECQDMWRKR-ROUUACIJSA-N 440.012 5.844 0 40 IKAB Cc1ccc([P@@](=Nc2cccc(C(=O)O)c2)(Oc2cccc(Cl)c2)C(C)(C)C)o1 9086748 RBMHMKCSLWALAQ-GDLZYMKVSA-N 431.856 6.890 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)cc1 9427458 QFCMGCZSIFOTLP-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccccc1-c1nnc(SCCCC(=O)c2ccc(Br)cc2)n1C 9491964 SGYIICNAFOLCHO-UHFFFAOYSA-N 430.371 5.308 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cc1NC(=O)c1ccco1 9741947 CEHTWGPLGDLMPY-UHFFFAOYSA-N 434.879 5.684 0 40 IKAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sc4ccccc4c32)c1 9959483 OKLQZMLRDZUQHO-UHFFFAOYSA-N 446.959 5.686 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 9969432 KPZOBKFHCGDHRD-UHFFFAOYSA-N 449.503 5.145 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1C 10059180 DHWLJOFDHJHIQF-SANMLTNESA-N 433.935 5.273 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)nc2c1 10119713 QVEHACWBMUUDNU-UHFFFAOYSA-N 439.284 6.211 0 40 IKAB Cc1cc(C(=O)NCc2ccc(Cl)cc2Cl)ccc1NS(=O)(=O)c1ccccc1 10330830 DUTUVICIYZHQGP-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C 10545575 FXYXYOFSYMCYBQ-HNNXBMFYSA-N 427.932 5.032 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@H](C)[C@@H]2c2ccccc2)cc1 12338510 OATUGQVRSFARFU-CTUHWIOQSA-N 440.609 5.172 0 40 IKAB c1ccc(CCn2c(-c3ccc(-c4ccccc4)cc3)cs/c2=N\c2ccccc2)cc1 12376370 HQFHKMNWYXAXNC-FLWNBWAVSA-N 432.592 7.359 0 40 IKAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1-c1nc2ccccc2[nH]1 12506720 YZSSJQJRAQBEEH-UHFFFAOYSA-N 440.272 5.149 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 12585178 OPMTUJIWVCSTPT-UHFFFAOYSA-N 426.516 5.734 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12675495 NGPNXNZMFPVWLQ-LBPRGKRZSA-N 435.578 5.309 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(N4CCCCC4)cc3)c2)c1 12680388 NCPJQKRUEYTSJQ-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1 13026518 CWJOPWDSHCXTSF-RUZDIDTESA-N 446.547 5.039 0 40 IKAB CN(C)[C@@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccccc1Cl 13031430 LSGUKRXOARVYCQ-IBGZPJMESA-N 443.403 6.380 0 40 IKAB Cn1c(CSc2nc3ccccc3s2)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S 13071818 AWGRFAHOYQYNSJ-WBVHZDCISA-N 445.683 5.465 0 40 IKAB CC(C)[C@@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1ccc2c(c1)OCCCO2 13095806 IENOACPYPIBSLB-FSNDINTDSA-N 448.332 5.276 0 40 IKAB C/C(=C\C(=O)Nc1ccc(SCC(=O)N(c2ccccc2)c2ccccc2)cc1)C(=O)O 13579132 PSAANYIFIHNWRY-FBMGVBCBSA-N 446.528 5.113 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13689177 IOVCPHQPVYTVQS-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(N(Cc2ccco2)C(=S)Nc2ccc(C(F)(F)F)cc2)cc1OC 13690977 HVYJZWDBRZPPQZ-UHFFFAOYSA-N 436.455 5.719 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CCC(=O)Nc1ccc(OCc2ccccc2)cc1 13898779 KAZCZINTYFPOIZ-NRFANRHFSA-N 430.548 5.122 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)/C=C/c2cc(C(F)(F)F)ccc2Cl)c(C)c1 14240735 WMWZIVCHXAQGHO-VMPITWQZSA-N 438.877 5.394 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)NCCc3ccc(C(F)(F)F)cc3)c2Cl)cc1 14940144 UVOIZDLMXQALAF-UHFFFAOYSA-N 435.877 5.193 0 40 IKAB C[C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O 15709023 MYNOERHMMIGLCQ-SVZXJXMESA-N 444.666 5.183 0 40 IKAB biogenic,in-vitro CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 16162127 DUCPKVCCXBQCLS-UHFFFAOYSA-N 425.319 5.850 0 40 IKAB O[C@@H](CNCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 16477428 IZVUKEJVJRCQDH-NRFANRHFSA-N 446.772 5.505 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1 16638286 GIYQIWKFUPGBPM-UHFFFAOYSA-N 439.625 5.763 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 16751101 JTTDVALEICNNSF-HSZRJFAPSA-N 435.520 5.182 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1cccc2c(Cl)cccc12 17098324 UEOVUSSHFRUDDU-UHFFFAOYSA-N 433.298 6.133 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 17099186 QUCBRXBTRUSUBQ-PSWAGMNNSA-N 434.624 5.753 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(C(=O)O)c2)cc1 17099314 CAKVMSDDVRKAOO-UHFFFAOYSA-N 434.945 5.124 0 40 IKAB Clc1ccc(OCC[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 17108793 YLMDZEPSHJDDIY-ZDUSSCGKSA-N 430.162 6.750 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 19636568 LJQQSQSIPGQZST-RTBURBONSA-N 442.559 7.438 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 20145006 OJMYNRNSJILSEJ-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCC)c(OC)c2)n2c(nc3ccccc32)N1 20633415 PIYWHAYPZFCGFH-HSZRJFAPSA-N 435.524 5.076 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccc(Br)s2)o1 23968661 RMMGPQQPWBDZIW-UHFFFAOYSA-N 445.342 5.156 0 40 IKAB COc1ccc(-c2cc(CN(C)C(=O)C3c4ccccc4Oc4ccccc43)on2)cc1 24976941 GGMOXKNQVXUXPG-UHFFFAOYSA-N 426.472 5.246 0 40 IKAB Cc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 25068691 IJVWBKWMMUUCTE-REWPJTCUSA-N 433.577 5.206 0 40 IKAB CC(C)CCC[C@@H](C)CCOc1cc(C=O)c(OCC[C@H](C)CCCC(C)C)cc1C=O 25758118 JMACLBZCZVVLDQ-DNQXCXABSA-N 446.672 7.774 0 40 IKAB CC(=O)Nc1ccc(CNc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 26144200 HUTLMIHPYKFHSG-UHFFFAOYSA-N 429.549 5.203 0 40 IKAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@H](CSc1nc3ccccc3s1)CS2 27586411 UJXLQFQQOGJBGG-NSHDSACASA-N 443.644 5.386 0 40 IKAB Cc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)c(C)c2c1 28291778 KWJBOIVOKJUODF-HSZRJFAPSA-N 434.580 5.150 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 33021898 FXHVDQZJUOKJCC-UHFFFAOYSA-N 428.439 5.813 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)c1 33535048 XIQGLXSBROQWHB-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)ccc1Cl 35264341 FTNBLBHLAFYCGU-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C/c1cccc([N+](=O)[O-])c1 35647746 NWAZHPZNHSZBLE-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 38204416 JBRNEVFTJPFTDM-GGPYAICQSA-N 428.482 6.402 0 40 IKAB Cc1cc(Br)cc(Cl)c1NC(=O)c1ccc(COc2ccc(F)cc2)o1 40134648 MTZZWGIYQOZTOL-UHFFFAOYSA-N 438.680 5.974 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C(=C/c3ccco3)c3ccccc3)c2)cc1 44885016 GBEDQMSMFHLJRP-NHFJDJAPSA-N 449.550 6.987 0 40 IKAB CCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccc(Cl)cc1 46586502 WMKGIDCDEFHQMY-UHFFFAOYSA-N 432.336 5.614 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1C 59176220 QWCCJXMQQMMCDG-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CC(c1ccccc1)c1ccccc1 61972687 RJPNHJDQEQVURK-UHFFFAOYSA-N 426.541 5.675 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(F)ccc3Cl)oc12 67295719 KENOBIKSKCCZKD-VYIQYICTSA-N 437.858 5.422 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 72372583 UUANQWBJKPLAKY-HXUWFJFHSA-N 432.549 5.930 0 40 IKAB CCc1nnc(Nc2cccc(C3CCN(Cc4ccc5ncccc5c4)CC3)n2)s1 72376161 NVNAXYYHBJPODL-UHFFFAOYSA-N 430.581 5.167 0 40 IKAB O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1 96222252 YYFFFGVCFMDVLV-OAHLLOKOSA-N 438.357 5.024 0 40 IKAB biogenic CCOc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(Cl)c1O 106720223 YKMORPIKNGQMGS-NDENLUEZSA-N 439.920 5.834 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222604926 RUQXSPULNSNIPD-CIISACIHSA-N 438.778 5.095 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222938403 FCCTUFMXUMGRBQ-LEWJYISDSA-N 446.403 6.277 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223108060 OSRHRDGJYUGKBE-ZDUSSCGKSA-N 439.353 5.258 0 40 IKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488935 NTUXDFIJMWUKIE-SANMLTNESA-N 432.539 5.055 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c2ccccc2O1 223691826 OBRQBVKJPPRZQS-QFIPXVFZSA-N 425.550 5.209 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223732348 JDYNGABQCDPZHG-RUZDIDTESA-N 438.612 5.186 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223858327 KAAMVHWCYGJLHV-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223903360 ZKFQDAVHELNBNY-VGSWGCGISA-N 449.422 5.648 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(C)C)c1 224838697 KEKGSJLNWCGVOA-UHFFFAOYSA-N 439.939 6.590 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(C)c3)o2)c(OC)c1 224931430 ZLGFROOPOVKULW-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225040600 BYXWHXMDSFMQIV-XZOQPEGZSA-N 433.625 5.113 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225174518 BCZMPGISUFVYCR-RTBURBONSA-N 447.044 5.463 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc(C)c1OC(C)C 225557597 BABYJGMLKKKLIF-UHFFFAOYSA-N 434.407 7.238 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225632834 LILPVNTYKCEFLD-FDDCHVKYSA-N 445.003 5.003 0 40 IKAB O=C1c2cc3c(cc2[C@@H]2C[C@@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 247798826 DSTSQAROMMWVIN-UMXIMWEHSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(Cc3c(C)nn(C(C)C)c3C)CC2)n1 257266454 MDCRVWLOBBOGBQ-UHFFFAOYSA-N 436.579 5.442 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257266884 MEZPMYYZSWWVAT-KRWDZBQOSA-N 449.457 5.218 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1 408534594 TUNMGRZFXWJESQ-AZUAARDMSA-N 446.601 5.059 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 409097043 MBZMIXGHBPAOCQ-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)c2ccccc21 409122364 YNZSLMGTZFBQIL-QNGOZBTKSA-N 434.333 5.935 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1ccc(Cl)cc1 409196130 XFBPLDGQNLBGMY-NTUHNPAUSA-N 445.121 5.702 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(Cl)c3)n2C)cc1C 409205942 RPLRLQYBBJZMJM-RFBIWTDZSA-N 432.976 6.432 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O)c1ccc(Br)cc1 409224990 MYYOESUNGJBQLE-CXUHLZMHSA-N 436.714 5.022 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4F)sc3n2)c1 661266 CNVYIKWDDPTKTP-UHFFFAOYSA-N 427.888 5.599 0 40 IKAB aggregator COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc(F)cc1 822390 YPBFFLAFAJFPEW-UHFFFAOYSA-N 431.579 6.178 0 40 IKAB O=C(NCCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 825565 YEOMRHUEBRKOGF-UHFFFAOYSA-N 444.844 5.041 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)c1 906283 CYQFEHONBMZQQE-UHFFFAOYSA-N 427.529 5.539 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 1326229 WPUKUIPBIWRMMC-ZDUSSCGKSA-N 427.595 5.254 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC/C=C/c3ccccc3)cc12 2363500 WFPJUTZOOPOYIY-JXMROGBWSA-N 428.484 6.377 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2368314 LRFHRAYIANIBOZ-FQEVSTJZSA-N 434.904 5.313 0 40 IKAB COc1ccc(NC(=O)c2ccc(Oc3nc(-c4ccncc4)nc4ccccc34)cc2)cc1 2377082 GPPHGBBPQBGAGL-UHFFFAOYSA-N 448.482 5.745 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccccc1Cl 2441908 QRXHBZNBSAEPML-UHFFFAOYSA-N 444.343 5.868 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 2450259 YBWPIFLEQNAGIR-UHFFFAOYSA-N 428.989 5.692 0 40 IKAB Cc1nn(-c2ccc(Cl)c(Cl)c2)c2nc(-c3ccc(F)cc3)cc(C(F)(F)F)c12 2638331 MZTRINCPMDXKJW-UHFFFAOYSA-N 440.227 6.861 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012845 JYGHPBDHKZMLTL-UKRRQHHQSA-N 445.228 5.696 0 40 IKAB O=C(NCc1ccc[n+](Cc2ccccc2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3187170 PKXYVMPDGXFCCP-UHFFFAOYSA-O 447.480 5.638 0 40 IKAB CCc1ccc(N[C@@H](CC(=O)c2ccc(CC)cc2)c2ccc(Br)cc2)cc1 3193951 GLNRUCBNBZTYHF-DEOSSOPVSA-N 436.393 7.000 0 40 IKAB CCN1C(=O)N(c2ccccc2)[P@](=O)(Nc2ccc(C)cc2)c2cc3c(cc21)OCCO3 3195348 UUYSYLWVIOXEQY-JGCGQSQUSA-N 449.447 5.163 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(-c4ccccc4Cl)c(C)oc3c2)cc1 3251585 AHKBJVHOGUNLMU-UHFFFAOYSA-N 434.875 5.787 0 40 IKAB O=C(CSc1nnc2sc3ccccc3n12)N(C1CCCCC1)C1CCCCC1 3288422 MYODNAOZJYUPNO-UHFFFAOYSA-N 428.627 5.530 0 40 IKAB COc1ccc(OCCC(=O)O[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 3304075 IQTQMHPOWUWBRQ-RUZDIDTESA-N 433.504 5.004 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)c4ccccc4)ncnc32)cc1 3658745 ANPRVMMYVXBUNM-IBGZPJMESA-N 437.568 6.949 0 40 IKAB O=C(NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cccc2ccccc12 4090606 IRWIMMQLMAXGTO-UHFFFAOYSA-N 432.932 6.412 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 4174578 KJORDJNCXCUSDH-IQOKHDRSSA-N 433.548 5.722 0 40 IKAB COc1ccc(CN2CCC(N(C)Cc3ccccc3)CC2)cc1OCc1ccccc1 4553786 CQIVRYQFSZRDIP-UHFFFAOYSA-N 430.592 5.371 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CC[C@H](O)CC3=O)CC[C@]2(C)C1 5047628 XUEQTRQROYLIEL-ZHVZAVJUSA-N 448.688 6.493 0 40 IKAB Cc1ccc(Sc2ccc(NS(=O)(=O)c3ccc(/C=C/C(=O)O)cc3)cc2)c(C)c1 6144369 PJCWINWIXOHTOB-MKMNVTDBSA-N 439.558 5.353 0 40 IKAB Cc1ccc2cc3c(N)c(C(=O)Nc4ccc(Cl)c(C(F)(F)F)c4)sc3nc2c1 6442074 SZPKFVVYQIEISU-UHFFFAOYSA-N 435.858 6.265 0 40 IKAB COC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C(C)C)cc1 8455881 VPRBQAWIHMFLST-ROUUACIJSA-N 441.549 5.239 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1Cc1ccccc1 8828306 PQSJLPVWRALWBT-FQEVSTJZSA-N 445.950 5.285 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1csc(-c2ccc(F)cc2)n1 8943757 VTAXORBKVYRGSP-UHFFFAOYSA-N 433.512 5.186 0 40 IKAB CCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 9096578 HJSPTTZFEPBIHM-WXTAPIANSA-N 431.580 5.117 0 40 IKAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 9224127 XWNDHKQUFLATHV-UHFFFAOYSA-N 444.560 5.099 0 40 IKAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2ccc(OCc3ccccc3)cc2)SC1 9478608 YUXWALYSBMRXAC-VWLOTQADSA-N 441.556 5.935 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 9504675 FZPGLTFKUUHMAB-CQSZACIVSA-N 436.577 6.470 0 40 IKAB CC(C)Cn1c(SCc2c(F)cccc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 9582407 PKGPHUMRSZRFME-OAHLLOKOSA-N 446.979 5.510 0 40 IKAB Cc1ccc(C2=NC3(CCCCCC3)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 9599307 ZPEKEEMGSRSXAD-UHFFFAOYSA-N 440.012 6.272 0 40 IKAB CCCN(C(=O)c1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 9606773 CAIIBFWYDQHXBI-UHFFFAOYSA-N 431.355 5.638 0 40 IKAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc12 9711775 JPZCDHWSMHZVKZ-MRXNPFEDSA-N 448.617 6.028 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 9725458 WHNLMZJMFGCYTK-VWLOTQADSA-N 446.978 5.406 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)N[C@H]4CCOc5ccccc54)c23)cc1 9767435 YWCGVRUYKLMZPU-IBGZPJMESA-N 447.585 5.399 0 40 IKAB Cn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1-c1ccco1 9782889 XQSCRUPYEKHQEK-GOSISDBHSA-N 448.573 5.047 0 40 IKAB CCCN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2cc(Br)ccc21 9908315 JAFVOPMAINKVEO-HSZRJFAPSA-N 444.369 5.098 0 40 IKAB CCOc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 10589341 UAHHVDJBWKQKBS-UHFFFAOYSA-N 442.540 5.621 0 40 IKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 10972172 VQBZVTNTXQXOON-UHFFFAOYSA-N 432.520 5.262 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(Oc2ccccc2)cc1 11617250 QDYVRXLVKBTAMG-UHFFFAOYSA-N 441.339 7.162 0 40 IKAB COC(=O)c1ccc(COc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 11866222 GFNLYEAMQQAHCU-UHFFFAOYSA-N 430.456 5.143 0 40 IKAB biogenic CCC(CC)C(=O)Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1 11915909 BRHUQMKHDGPNRU-UHFFFAOYSA-N 436.577 5.457 0 40 IKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12196524 QNRORTJHDPKVDY-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4cccc(C)c4)c(N)c23)cc1 12250025 DMLHLLGCMPYSAC-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB CCOc1ccc(C2=Nc3ccccc3C(c3ccc(-c4ccc(OC)cc4)cc3)=NN2)cc1 12497724 FOZHWFXZSPGYDS-UHFFFAOYSA-N 447.538 6.195 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)n2)cc1 12600341 DCXFSTPQAVKQCK-OAQYLSRUSA-N 442.544 5.039 0 40 IKAB Cc1cc(C)c2nc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc(C)c2c1 12631204 LKCSGXZPVQFKTG-NDEPHWFRSA-N 436.580 7.358 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C)CCOc1ccc(Br)cc1 12686816 YJNHMYGWFCPBEA-UHFFFAOYSA-N 434.765 5.107 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)cc1 12883109 XDYGOHFVKHNOQV-HNNXBMFYSA-N 434.517 5.563 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@H]21 13563055 OVLGPJFWFLOUQN-KOSHJBKYSA-N 444.478 5.125 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 13583522 WGDSJRVNXSZNBS-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 14126544 UNRCOVAOFHQEAI-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB COc1ccc(-c2nnc([C@@H](C)Oc3ccc4cc(Br)ccc4c3)o2)cc1 14199741 XFRCSXCAXZIFKJ-CYBMUJFWSA-N 425.282 5.801 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 14272020 WZEJOQACEWFFNK-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB Clc1ccc(-c2ccc([C@H]3Oc4ccccc4[C@H]4CC(c5cccs5)=NN43)o2)cc1 15016869 KWFMTDGEKLYMFB-NTKDMRAZSA-N 432.932 6.904 0 40 IKAB S=C(c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)N1CCCCC1 15230805 XQWPODBAVQSKES-UHFFFAOYSA-N 440.406 6.343 0 40 IKAB CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757729 QXQXWOSLTCBVBO-UHFFFAOYSA-N 431.561 5.830 0 40 IKAB CCCCOCCOC(=O)C[C@@H](/C=C(\C)CC(C)(C)C)C(=O)OCCOCCCC 16989752 FBEWUFDEEMXRNN-DHUDHEQZSA-N 428.610 5.095 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19082278 APXGMXGYVLNWBD-QFHJOOASSA-N 438.538 5.279 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)ccc1-c1ccc(CO)o1 20140293 CWINYWCGOPBKSM-UHFFFAOYSA-N 441.405 6.278 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc(C)c1Cl 20411315 HEBPKQJQJAGJJQ-UHFFFAOYSA-N 448.950 6.906 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cn2c3c(cccc3c1=O)CCC2 22235604 VLNHPIULHGQNCN-UHFFFAOYSA-N 440.343 5.238 0 40 IKAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)CC1 22966924 PHCJHWCBPNPUIF-UHFFFAOYSA-N 432.398 5.012 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCC1CCCCC1 24759729 PWHYPMPQEICKBE-UHFFFAOYSA-N 434.989 5.748 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1C 25050577 MOYKEDLIOXQGDO-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1 27663804 DZRCCZDMMPTFLR-UHFFFAOYSA-N 438.767 6.290 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2c(C)cccc2C)c2c[nH]c3ccccc23)cc1 27746287 UQEKMKISJMFFJA-QHCPKHFHSA-N 428.532 5.120 0 40 IKAB CCN(CC)[C@H](CNC(=O)c1cc(=O)c2cc(Cl)c(C)cc2o1)c1ccccc1Cl 28288907 PUIWUCSSINPMEQ-LJQANCHMSA-N 447.362 5.221 0 40 IKAB O=C(OCc1ccc(I)cc1)c1ccccc1Nc1ccccc1 32124963 FSIHSYJCXOXZBZ-UHFFFAOYSA-N 429.257 5.392 0 40 IKAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1 32908406 VCHQVOWFHGIQDA-XMMPIXPASA-N 439.515 5.698 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 35550812 GZYVZMWMBUTUMQ-GTACMHHNSA-N 431.356 5.308 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 38753755 WOHVYMVIUMXVPL-RUZDIDTESA-N 443.930 6.520 0 40 IKAB CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)nnc1-c1ccncc1 40020226 PZGCBKGIYCVLSB-UHFFFAOYSA-N 436.591 5.553 0 40 IKAB Cc1ccccc1CN1CCC(NC(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 40123095 NCDDYZKIHQHHDL-UHFFFAOYSA-N 437.971 5.017 0 40 IKAB COc1ccc(CSCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44899865 YXICKYWBHNJDGM-UHFFFAOYSA-N 447.600 6.096 0 40 IKAB C[C@@H](NC(=O)c1ccc(Sc2ccccn2)cc1)c1cccc(OCc2ccccn2)c1 58218292 CPRIZLIEZXTLLW-LJQANCHMSA-N 441.556 5.698 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)o2)c1 59179501 XISNYIQLVXTGCG-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB O=C(NCCc1nc2ccccc2n1C(F)F)c1ccc(-c2nc3ccccc3s2)o1 72283654 SJXDWUILKRMFEV-UHFFFAOYSA-N 438.459 5.274 0 40 IKAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)[C@@H](c2ccco2)C1 72304658 CWYLHHPSQUCTAH-NTKDMRAZSA-N 430.548 5.285 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC(C)=O 100722129 LXTWOAHIKXFPNF-QHCPKHFHSA-N 436.508 5.501 0 40 IKAB O=C(O)c1cccc(NC(=O)N2C(=O)/C(=C(\O)c3cccs3)c3cc(Cl)ccc32)c1 100944420 KLUXJCXEGMZTKO-ZCXUNETKSA-N 440.864 5.105 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 102625312 DATGARPAGHMVFF-HOYKHHGWSA-N 440.503 5.219 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1 102984731 RHAOXPWIIXEHJR-CLYVBNDRSA-N 444.531 7.003 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 222394194 LOWRYCGMNWYBMA-VWLOTQADSA-N 436.640 5.557 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223585212 JJBJDMITYKCJAB-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 223962473 KWVSQMMDQUXWDD-HSZRJFAPSA-N 440.540 5.144 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4Cc5ccccc5C4)nc3)CCCC2)cc1 223984311 VICMJRRQPSQDJI-UHFFFAOYSA-N 446.595 5.539 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C)cc1 224010247 ZMUFWNFAZJAMEM-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224207583 QFSNHVMYAOTZBR-UHFFFAOYSA-N 439.895 5.275 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224210321 DHXAQLJQMYWJOA-LJQANCHMSA-N 447.044 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc2ccccc2c1 224643749 OHRDGEZEBGAAMQ-UHFFFAOYSA-N 440.499 5.169 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224734373 SXRSCKGSEGGVHD-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225005790 FSIJJRUZEDOFNW-XMMPIXPASA-N 438.637 5.425 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225015838 YBTYUWALIXKNSV-OALUTQOASA-N 447.044 5.463 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225149848 DQUNECQOMKQFMB-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225333359 TWTDABJSNFRKQV-ROUUACIJSA-N 449.422 5.485 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c(C)c1 225767992 NXNOXEBEAQPWGI-NRFANRHFSA-N 448.941 7.052 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2cccnc12 225871716 OJVPOMILKUFMKE-UHFFFAOYSA-N 432.564 6.263 0 40 IKAB C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 238758431 FSLPMRQHCOLESF-CTRFDCHSSA-N 426.729 8.025 0 40 IKAB biogenic,in-vitro Cc1ccccc1CC(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 248201386 WCKFLZIELMIGRP-YSIASYRMSA-N 448.533 5.084 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)c2c(C)noc2n1 257340496 ZGKDZKUJOHKEPF-LJQANCHMSA-N 436.899 5.049 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2c(Cl)cccc2Cl)cc1 408578916 BTNVNNZVMGYCIR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1cccc2ccccc12 408626065 LAEBHIMKFKHOFW-UHFFFAOYSA-N 448.931 5.308 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)NCc2ccccc2)nc1-c1cccc(Cl)c1 408692752 UJUBUKBLSRCCBY-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2C)c1 408699579 UXXVLPOOYXCWHD-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cc(Cl)ccc2C)cc1 408700104 YUVUWJPBAFYABF-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1 408723962 BEMWMGKJTQVCNS-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1F 409115522 RYBHLZYCKJALEQ-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3OC)c3ccccc23)C1=O 409129176 FYHBGHYPCBSKQX-JCMHNJIXSA-N 436.533 5.175 0 40 IKAB CCOC(=O)c1cnc2c(Cl)c(Cl)ccc2c1Nc1ccc(N2CCOCC2)cc1 952244 LNVHWMCHNPFIFE-UHFFFAOYSA-N 446.334 5.299 0 40 IKAB Cc1cc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCCC4)no1 968938 OHVCPZABGVEREV-UHFFFAOYSA-N 438.940 5.626 0 40 IKAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1cccc(C)c1C 976336 CWCMMVHWHMNALH-UHFFFAOYSA-N 444.004 5.220 0 40 IKAB O=C1[C@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 1384503 KEFKLELFHRTYNR-MRXNPFEDSA-N 432.389 5.150 0 40 IKAB Cc1ccccc1Cn1cnc2c(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c(C)cc21 1391855 YDPZFNUMMGIUGZ-UHFFFAOYSA-N 439.968 5.464 0 40 IKAB O=c1[nH]nc(CNc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2)c2ccccc12 1395960 DRYHVEKKUHWORM-UHFFFAOYSA-N 446.816 5.395 0 40 IKAB CC(=O)Oc1ccccc1-c1cc(C(F)(F)F)n(-c2nc(-c3ccc(F)cc3)cs2)n1 1413639 PQDOLCUSOZQRBI-UHFFFAOYSA-N 447.413 5.746 0 40 IKAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(-c2nc3ccccc3s2)cc1 1751395 JIZHJKAJFLKJSV-UHFFFAOYSA-N 434.389 5.840 0 40 IKAB CCCCSc1nnc2n(CCc3ccccc3)c(=O)c3c4c(sc3n12)CCCC4 1828582 QWHANZFSSXURQT-UHFFFAOYSA-N 438.622 5.119 0 40 IKAB CCN(CC)C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 2083324 LOFMOFMAWPKIMA-AREMUKBSSA-N 448.610 6.831 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(F)c(Cl)c2)C4)cc1 2118805 ARLBGEZLSBDNQW-UHFFFAOYSA-N 437.854 5.618 0 40 IKAB biogenic Cc1cccc(-n2c(N)c(C(=O)NCc3ccccc3Cl)c3nc4ccccc4nc32)c1 2245784 HQPAOPODNSMMAC-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1ccc(Cl)c(Cl)c1 2253128 SAXACZVGRJGSKK-UHFFFAOYSA-N 438.314 5.399 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](O)c1ccc(Br)cc1 2263894 UPDMPZKNWAEBMD-LJQANCHMSA-N 431.307 6.332 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 2453897 WUFXDSVPHKTYNR-UHFFFAOYSA-N 448.548 5.024 0 40 IKAB C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 2645000 VCZHGVBNJDSCJL-GFCCVEGCSA-N 441.965 5.424 0 40 IKAB Cn1c(=O)c(Nc2ccc(Br)cc2)c2c3c(cccc31)C(=O)c1ccccc1-2 2694679 SJNYORGZUXRCSD-UHFFFAOYSA-N 431.289 5.256 0 40 IKAB O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1-c1ccc(F)cc1)CCS2 2719977 CHUYSLLGAIVCGN-UHFFFAOYSA-N 439.364 5.619 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCCC3)c1ccc(Oc2ccccc2)cc1 2889477 LUZBLYQAISCTOK-UHFFFAOYSA-N 446.597 6.728 0 40 IKAB CCCCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 3123707 ZNIFAUWONSYYQK-QFQXNSOFSA-N 426.560 6.390 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CSc2ccc3ccccc3c2Br)cc1 3235948 WEFVYYHKCCMEQG-UHFFFAOYSA-N 428.395 6.631 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3247716 VCHPDNGDXYYCBR-IPEVAPCJSA-N 437.536 5.109 0 40 IKAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)Nc1cccc(Oc2ccccc2)c1 3335305 NQVHNQQSMSCTEB-UHFFFAOYSA-N 440.286 5.746 0 40 IKAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccs2)n1C[C@@H]1CCCO1 3433669 BNURJPLYKRVXGB-FQEVSTJZSA-N 438.622 5.068 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)NCCC1=CCCCC1 3477838 DZZNFGUWDPLJEP-UHFFFAOYSA-N 436.556 5.172 0 40 IKAB COc1ccc(/C=C\C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 5765669 XJCYHVVLLSSJHZ-UHUGVDSRSA-N 430.500 5.828 0 40 IKAB Cc1ccccc1NC(=O)N(CC(=O)O[C@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 5943167 QUYGJBLLXRIPDR-GSPPDTAYSA-N 426.601 5.920 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2cccc(Cl)c2)cc1 6245423 NTXSDHJVZWTXOI-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)COc3ccccc3)c3ccccc32)c1 6627120 AIUXQCRGIBBKHG-UHFFFAOYSA-N 427.544 6.414 0 40 IKAB CCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 8407675 YKWNFFFZZVWBGR-MOHJPFBDSA-N 441.316 6.640 0 40 IKAB CC(=O)c1ccc(N2C(=O)C(c3ccccc3)=C(c3ccccc3)O[C@@H]2c2ccccc2)cc1 8452107 MZFOUAQJNBRGEQ-SSEXGKCCSA-N 445.518 6.520 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccccc3SC[C@@H]3CCCO3)sc2C)cc1 8728242 JUCQLZNBBHQROL-SFHVURJKSA-N 440.590 5.651 0 40 IKAB CC(C)c1ccc2c(c1)OCCOCCOc1ccc(C(C)C)cc1OCCOCCO2 8892811 VVBINCRFEDWECL-UHFFFAOYSA-N 444.568 5.196 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(OC)ccc1OC)C(C)(C)N2 8951320 COPXLXMSDVMMAJ-LNVKXUELSA-N 428.579 5.786 0 40 IKAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@H]1COc1cccc(C(F)(F)F)c1 9391371 XVTBUKKNBNDWDG-LJQANCHMSA-N 437.458 5.028 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 9585698 ZZYDJVMDYFGRDL-UHFFFAOYSA-N 439.556 5.253 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2C2CCCCC2)cc1 9670013 LVWHDYBGNFDWBB-KRWDZBQOSA-N 436.581 5.578 0 40 IKAB COc1cccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)c1 9679133 KCJCWNAADMSRTI-XMMPIXPASA-N 429.907 5.797 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 9788925 WGFNKMJFHJKWFV-OAHLLOKOSA-N 428.533 5.152 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 9849622 KRXLWFMNQFIAQU-DEOSSOPVSA-N 436.964 5.409 0 40 IKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(Cl)c12 10220413 FTHGBMDULNPCLV-UHFFFAOYSA-N 446.816 5.533 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cccc(Cl)c1Cl)S(C)(=O)=O 10324278 FAPNAHYVFGWLMN-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 12040077 QCSYFJMCAHATBA-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2nc3ccccc3o2)sc2c1CCCCC2 12139833 DXHGGJPAZCXVDS-UHFFFAOYSA-N 430.551 5.066 0 40 IKAB Cc1ccc(-c2nnc(CSc3nc4cc(Cl)ccc4n3C3CCCCC3)o2)o1 12462519 HNBKYTZGNAILRQ-UHFFFAOYSA-N 428.945 6.439 0 40 IKAB Cc1cccc(NC2=C[C@H](c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1 12462840 WVSVUFLYUPAIKE-HHHXNRCGSA-N 444.534 7.287 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cccc(OC)c3)c2)cc1 12860207 ZSBQDQMACFWTLQ-ZZIIXHQDSA-N 429.516 6.365 0 40 IKAB biogenic CC(=O)N(c1nc(/C=C2\N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1cccc(C)c1C 12937381 JYXLTOXWFXDJGE-MTJSOVHGSA-N 445.544 5.406 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCSc5ccccc54)cc3)o2)cc1 12946047 SCUVLPNJQCJOJT-OAQYLSRUSA-N 427.529 5.679 0 40 IKAB CCc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2cccc(OC)c2)sc1C 13098678 VPOHFPWHWZCVCJ-UHFFFAOYSA-N 435.467 6.691 0 40 IKAB CN(Cc1nnc(C(=O)Nc2ccc(Cl)cc2)s1)Cc1cccc(Cl)c1Cl 13108037 QOFDNSKBNFFERU-UHFFFAOYSA-N 441.771 5.383 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(C)n1C[C@@H]1CCCO1 13141834 YYHFTUOOYDGLTC-NRFANRHFSA-N 433.504 5.116 0 40 IKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4cccc(Cl)c4)nnc3c2c1C 13499970 AEDIFAVGBGDXMZ-UHFFFAOYSA-N 446.001 5.463 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1Cc1ccco1 13512108 KVVRCBXABZLVAQ-UHFFFAOYSA-N 436.537 5.089 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1C 13677446 VLTWSMHNAQJEQU-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C(C)C)cc3)c3cc(Cl)ccc32)cc1 13897851 GABTVQWWHRMMLS-HHHXNRCGSA-N 447.962 5.779 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 13946121 YEQQVGXSBNDXIG-UHFFFAOYSA-N 425.319 5.850 0 40 IKAB COc1ccc(NC(=O)CNC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 14153159 JGTCJDHILIZPFG-UHFFFAOYSA-N 443.739 5.239 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccc4c5c(cccc35)CC4)n2)s1 14158089 XJGJRBFNHYHSLP-UHFFFAOYSA-N 433.558 5.012 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cs1 14778841 QGRSIDUVSFJHHK-CQSZACIVSA-N 434.483 5.648 0 40 IKAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17099431 KVVGNWLRZINVIL-UHFFFAOYSA-N 435.332 5.703 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18062069 IUTLYTNICBKNHE-SDHSZQHLSA-N 440.543 5.031 0 40 IKAB CC(C)C(=O)N[C@@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19086161 WYNPGCHGDZSXER-NFBKMPQASA-N 441.641 5.190 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 19525577 DHAMWNMNZAVIGB-OAQYLSRUSA-N 438.934 5.651 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(-c2ccc(Cl)cc2)o1 19637155 IBVLPWBGHINJRD-UHFFFAOYSA-N 442.858 5.653 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3)nc2c1 19638916 VKIIABNNPFEJTR-QGZVFWFLSA-N 443.572 6.444 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1 19642626 RVORVIWNIIGKSK-XNTDXEJSSA-N 444.966 6.377 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccc(Cl)cc4)ncnc3[C@@H]2C2=C1CCC2 26464330 VXPUVNNOJLOVOH-UGKGYDQZSA-N 442.053 7.063 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc2c3c(cccc13)CC2 32109933 KWSXGQQJOYDDAQ-UHFFFAOYSA-N 447.563 6.161 0 40 IKAB CCCCCC[C@H](C)Oc1ccc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O 33728666 QAPSLRCLZRNYPQ-AABCQZNVSA-N 440.996 5.848 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834468 SVXCTLFHFKWIRG-MRXNPFEDSA-N 435.351 5.021 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)cc1 46078586 PCLKBXUQDJFBIR-UHFFFAOYSA-N 434.923 5.502 0 40 IKAB O=C(CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1)c1ccc(Cl)s1 57742481 LNCYWONJOPSYMY-UHFFFAOYSA-N 436.008 6.019 0 40 IKAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12 60213894 MHBRQHFICUHUJL-UHFFFAOYSA-N 440.912 5.432 0 40 IKAB COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 100082351 MXIRVGLZZCTMMC-UXUXNBJMSA-N 433.507 5.119 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1Nc2ccccc2-c2nc(=O)c(-c3ccc(C(C)C)cc3)nn21 101459178 BAQVUCVADXCJET-GHZVVNKJSA-N 434.543 6.123 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccc(F)cc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 102688880 RZKSATDHOQETOI-GGAORHGYSA-N 427.306 6.683 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102736696 QDBHHIFPYJLHRN-ACRUOGEOSA-N 439.298 5.045 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@@H]1c1ccc(Cl)cc1 103218626 YQABJZDZFGKJGZ-SAVREHANSA-N 425.956 6.483 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 107737349 WRKUYQFPIPEEHT-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c(C)c1 108983791 BIBJZBQRJFAPBF-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1ccc(OCc2ccccc2Cl)cc1 218991553 RTXMZIZPTJNUGV-QHCPKHFHSA-N 435.951 6.260 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219838949 AHBDWHMJLGNWIU-QGZVFWFLSA-N 436.939 5.700 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222747237 CYRSTZSPOATZIZ-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 223599466 BITGNXVHNNBDSS-VWLOTQADSA-N 447.962 6.246 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224140776 ZGGSCISUWVJXAH-VWLOTQADSA-N 436.596 5.020 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224519277 JIZMNUKWUFAKFA-ROUUACIJSA-N 446.395 5.091 0 40 IKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C 224866598 VHNKOSYJXRABHR-LEWJYISDSA-N 426.973 5.056 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028304 MRRDGEYSJBYBHW-PKTZIBPZSA-N 437.996 6.219 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225749944 DNRPOXFTSCKQJT-TVZXLZGTSA-N 432.649 5.747 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)cc1 225810315 TZGGWUFYCDZVSU-UHFFFAOYSA-N 430.898 6.296 0 40 IKAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972702 YUKXENROOPWLAM-QGZVFWFLSA-N 444.048 5.307 0 40 IKAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)C1c2ccccc2Oc2ccccc21 238834188 GMOGUMPRVQVVCA-XMMPIXPASA-N 433.554 5.100 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 248200363 VGKIPOLCLWTSDN-YSIASYRMSA-N 448.533 5.166 0 40 IKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 257200237 ACNXWMWBUBNUMP-QFIPXVFZSA-N 440.950 5.202 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257313340 URYWJBNAEVRNEX-KRWDZBQOSA-N 430.961 5.093 0 40 IKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408562902 SFLRWHZLAQTYEK-ZIADKAODSA-N 440.612 6.421 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)c1 408605686 GLMXKODYQQCYTK-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1ccc(-c2noc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 408639468 XKJDETKJSCLMLN-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 408719707 PHMGYUJPBKWGNV-ZKKFKWFVSA-N 444.328 5.020 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\S[C@H](Nc2ccc(CC)cc2)NC1=O 408775377 PQXUPIRQDVMNFR-JKALPCAWSA-N 433.371 5.010 0 40 IKAB COc1ccc(C(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 408978411 ZMQKWYHIUGHHNB-UHFFFAOYSA-N 431.495 6.225 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2Cl)N[C@H]1c1ccccc1 408991834 RELAPNOGRLKTPE-IBGZPJMESA-N 435.376 5.764 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1O[C@H](C)CC 409094451 DEZJIPKRTWKDQQ-HGLKBHAMSA-N 428.348 5.081 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccc(Cl)c3)sc3c2CCCC3)cc1C 409118842 UWQBZWMLVIVYQV-UHFFFAOYSA-N 438.980 6.402 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(OCC)cc2)cc1Br 409121615 XCNDUZYDMCOZPB-UHFFFAOYSA-N 443.179 6.011 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(OCc2ccccc2)cc1 409173700 QLBHERMVZXTSDZ-UHFFFAOYSA-N 432.372 6.444 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)CC 409349870 VDCBCMJAWPLGRL-KELUXRKGSA-N 431.941 6.157 0 40 IKAB FC(F)(F)c1ccc(Cl)c(CNC2(c3nc(C4CCCC4)no3)CCOCC2)c1 585113997 KWROLAPGSKNISU-UHFFFAOYSA-N 429.870 5.195 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3ccccc3OC)n(Cc3ccccc3)n2)c1 585264754 LIPYMBOJKCJNJX-UHFFFAOYSA-N 442.515 5.300 0 40 IKAB Cc1ccc(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c(C)c1 848823 OCULEUZDPZJJBN-UHFFFAOYSA-N 440.550 5.268 0 40 IKAB CC(=O)Nc1sc(-c2nc(-c3ccccc3)c(NC(C)=O)s2)nc1-c1ccccc1 936615 PGVFOLWLWIOLCX-UHFFFAOYSA-N 434.546 5.517 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 1303069 VGXRKZULXNQDFF-UHFFFAOYSA-N 435.574 5.747 0 40 IKAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(Nc4ccccc4)sc3C)ccc21 1354478 RICBGEUYEVNUCO-UHFFFAOYSA-N 425.557 6.373 0 40 IKAB COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1378226 NMZLFAUWSCCGOL-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB O=C(CSc1nsc2nc3ccccc3n12)Nc1ccc(Oc2ccccc2)cc1 1468277 JBEYTLHKBIOTFC-UHFFFAOYSA-N 432.530 5.467 0 40 IKAB O=C(Nc1ccc(Oc2ccc(-c3noc(-c4ccccc4)n3)cc2)cc1)c1ccccc1 2079697 ZIRLGCLCEAEBTC-UHFFFAOYSA-N 433.467 6.448 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O 2421080 IQFYUSWPDBQCFL-NRFANRHFSA-N 425.912 5.115 0 40 IKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 2448049 YPDHAIGSQNKDNA-UHFFFAOYSA-N 438.890 5.438 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4C)c3)nc2c1 2593793 ITDNQHXFJISAAX-MRXNPFEDSA-N 432.951 7.531 0 40 IKAB CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc(OCC)c1OCC 2621003 TVPPATZFOJYBRI-UHFFFAOYSA-N 431.838 5.807 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 3408985 UADLEIZERODWQV-UHFFFAOYSA-N 435.984 6.258 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 4004075 ANENRXYYYDNRQI-UHFFFAOYSA-N 429.867 5.265 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)NC3CCCCC3)cc2c1 4231348 BBHVZVZRDZEIBY-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1NS(=O)(=O)c1cccs1 6147121 DXCJJNMNNJWQFQ-UHFFFAOYSA-N 441.456 5.212 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c(C)c1 6195314 ILWOWWUUEUTNQL-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(Cl)cc5)c(N)c24)CCC3)cc1 8450763 SCVZTEYRKPSSKO-UHFFFAOYSA-N 449.963 5.949 0 40 IKAB O=C(C1CCCCC1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 8782077 TURNDUFZVMTZKE-UHFFFAOYSA-N 429.347 6.656 0 40 IKAB CSc1nc(NCc2ccccn2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 9281130 LDGDSTBRUUNUBX-UHFFFAOYSA-N 435.622 5.656 0 40 IKAB Cc1ccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc2c1C 9345555 INYKWJWGPMCJNA-UHFFFAOYSA-N 443.572 5.668 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3ccc(OC)c(Cl)c3)cc3sc(=O)oc23)cc1 9430750 ZHHVYNHJVNFSPJ-UHFFFAOYSA-N 442.876 5.411 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 9462192 QNLQEZCOMBQHPE-GUDVDZBRSA-N 445.327 5.106 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCCCO5)o3)cc2C1 9503318 SVEPGZJKNZBTDZ-ZDUSSCGKSA-N 442.562 5.059 0 40 IKAB COc1ccc(-c2cn3c(C)c(C(=O)Nc4ccc(F)c(C(F)(F)F)c4)sc3n2)cc1 9569646 SWWZZEGOZBGBAR-UHFFFAOYSA-N 449.429 5.790 0 40 IKAB Cc1nn2c(C(F)(F)F)cc(-c3ccncc3)nc2c1-c1cccc(Br)c1 9877274 CJMOCAWRZJKTDI-UHFFFAOYSA-N 433.231 5.548 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 10112190 UECDFVHLBZAUSB-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB COc1ccc(C(=O)[C@@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1F 11866540 KQCMJONRVBMLTH-SANMLTNESA-N 444.458 5.432 0 40 IKAB O=C(CCc1ccccc1)Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237302 HZHQYGOZPMJWLV-UHFFFAOYSA-N 431.561 5.071 0 40 IKAB Cc1ccc([C@@H](NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c2cccs2)cc1 12797253 YXCSJRYPCIVNJA-GBXCKJPGSA-N 440.634 5.005 0 40 IKAB COc1ccccc1CCC(=O)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13038230 KMAUFHKLEYZIJD-UHFFFAOYSA-N 432.520 6.255 0 40 IKAB Cc1cc(C2=NN=C(Nc3ccc(Cl)c(Cl)c3)SC2)c(C)n1C[C@H]1CCCO1 13062878 DRESJZKDWRIDIN-OAHLLOKOSA-N 437.396 5.510 0 40 IKAB CCCCN(C(=O)c1oc2ccccc2c1CSc1nc(C)cs1)c1ccccc1 13098225 WMAJJGOBUXNVHR-UHFFFAOYSA-N 436.602 6.937 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4o3)n2-c2ccccc2)cc1 13128995 PPPGYEYFAYRSKY-UHFFFAOYSA-N 440.572 6.665 0 40 IKAB COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccc(C)cc4)n2)COC(C)(C)C3)c1 13556781 AYIDXJRDSBZSBL-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB Cn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1F 14093074 GZOAGNIZXWDUSD-HSZRJFAPSA-N 442.519 5.819 0 40 IKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1OCc1ccc(F)cc1 14161313 GNDUNVVUBAQKNF-UHFFFAOYSA-N 425.529 5.099 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)cc1C 14269534 MZNRCIIWEFRJNK-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1 14270598 XYHMDQWMSIKQQR-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 14272281 PAVGIEFXHMSOOO-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC 14428008 PGRORWPIMKBLSV-UHFFFAOYSA-N 449.407 5.873 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3C2=O)cc1C(=O)Nc1c(C)cccc1C(C)C 14739310 SCLRGEHVRGBRBN-UHFFFAOYSA-N 442.515 5.176 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cccnc2n(Cc2ccccc2)c1=O 15883311 HPEOZZYXWZNXPB-UHFFFAOYSA-N 447.494 5.489 0 40 IKAB CC(=O)N[C@@H](C)c1ccc(C(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 16221994 YOAPPQRDYMDGBY-ZDUSSCGKSA-N 431.319 5.309 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 16262420 BELHGBQGHXYRDD-IBGZPJMESA-N 448.350 5.044 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNCc2ccccc2Cl)cc1 16449709 UUXWZMFBHBVBCW-UHFFFAOYSA-N 434.736 6.110 0 40 IKAB O=C1SC[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 16712006 XASMYCNNQLLLHV-WIOPSUGQSA-N 427.529 5.253 0 40 IKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(C)c(Cl)cc4C)cc3)sc2c1 16780482 BWAVCVJDLPCMCO-UHFFFAOYSA-N 442.993 6.343 0 40 IKAB CCc1ccc(NC(=O)[C@@H](CC)n2cnc3scc(-c4ccc(CC)cc4)c3c2=O)cc1 16895675 FNJOAPRGMUDLDD-JOCHJYFZSA-N 445.588 5.840 0 40 IKAB COC(=O)c1sccc1NC(=O)c1cc(-c2ccccn2)nc2c(C)c(Cl)ccc12 17101741 RVKALXITJBWLGB-UHFFFAOYSA-N 437.908 5.359 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(F)cc1 19635040 JMUUJJXFZOWGKF-UHFFFAOYSA-N 441.940 5.883 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1c(F)c(F)c(F)c(F)c1F 19648436 JGOGNEMJNAHJIS-UHFFFAOYSA-N 449.198 5.520 0 40 IKAB Cc1nc([C@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 19743112 PUWFKKHSCBOYDX-XMMPIXPASA-N 432.612 5.167 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)CO4)c(C)s2)CC1 19796454 RMZYYYZHAIJNCD-UHFFFAOYSA-N 427.570 5.385 0 40 IKAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20110645 YCYGGQKHBNUHLD-FQEVSTJZSA-N 429.560 6.238 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cnc2scc(-c3ccccc3)n2c1=O 20767841 LWPLGPKDPYJRIP-UHFFFAOYSA-N 439.496 5.468 0 40 IKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc12)C[C@@H]1CCCO1 27990879 ZSKIYSZPAYXZFT-FQEVSTJZSA-N 447.918 5.421 0 40 IKAB Cc1ccc(Sc2ncccc2C(=O)NCc2ccc(Cn3ccnc3)cc2)cc1C 28695889 BLHUUTSJTPDSOJ-UHFFFAOYSA-N 428.561 5.024 0 40 IKAB CN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@H](c2ccccc2)C1 30030389 JMLHZWJXPNEONG-NRFANRHFSA-N 441.453 5.022 0 40 IKAB COc1ccc(-c2noc(-c3sc(NC(=O)Cc4ccc(Cl)cc4)nc3C)n2)cc1 32095348 JIVYQAHRVMUBGG-UHFFFAOYSA-N 440.912 5.012 0 40 IKAB COc1cccc([C@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc23)c1OC 36185265 MSASIEDVXKODBD-QHCPKHFHSA-N 428.532 5.066 0 40 IKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)cc1 36612190 JPPVXERJZNMYHM-SWCCCDNZSA-N 446.587 6.185 0 40 IKAB COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)c1 36617275 PFBBLXIQHAGYLM-UHFFFAOYSA-N 425.460 5.365 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Br)cc2)CC1 38860425 PKMTWYUQKOLVAP-UHFFFAOYSA-N 441.291 5.319 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)NCCSCc2c(F)cccc2Cl)CC1 39752771 QOYKGRLBVKSODT-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F 40135348 TZRWOOHDYMWNHF-KBPBESRZSA-N 435.902 5.072 0 40 IKAB Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccc(C)cc3)o2)cc1 41154332 QGAMYZSYJMHHKL-UHFFFAOYSA-N 425.513 6.827 0 40 IKAB COc1ccc(O[C@@H](C)C(=O)N(c2nc3ccccc3s2)c2ccc(C)cc2C)cc1 48355520 DHUWJFRJWSFGLX-SFHVURJKSA-N 432.545 6.054 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(Cc2cccc(Cl)c2)C4)cc1 58088535 QYSSEGQQCQYWGG-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB biogenic CC(C)c1nc(CCNC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)cs1 58323860 NFLSDHVMVHKMCI-UHFFFAOYSA-N 435.524 5.700 0 40 IKAB C[C@H](Cc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)c1ccccc1 59086893 VAQYDWBLDBLXFT-LJQANCHMSA-N 428.601 5.926 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(C4CC4)n(C(C)(C)C)n3)cc2)cc1 59257689 AJXKUMNTHCHGMX-UHFFFAOYSA-N 432.524 5.029 0 40 IKAB Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@@H](c1ccccc1)c1cc(Cl)ccc1O 59474667 PPPCMJDZSQECNH-NRFANRHFSA-N 434.750 6.109 0 40 IKAB Cc1c(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cccc1C(=O)N1CCCC1 60304003 JQKCPAVNSMPHOO-UHFFFAOYSA-N 444.375 5.521 0 40 IKAB CC(C)c1ccc(CNC(=O)c2nnn(-c3ccccc3Cl)c2-c2cccnc2)cc1 65095704 GORXLBWPUGOWLK-UHFFFAOYSA-N 431.927 5.036 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 67245414 VVCXQOZKNONFKP-UHFFFAOYSA-N 445.931 6.083 0 40 IKAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@H](CC)c3ccccc3)n2)cc1 71844216 ZXJKIBLFDXDDCM-DHIUTWEWSA-N 433.552 5.253 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)N1CCC[C@@H]1c1ccncc1 84419497 RDMWOZGJLLKASA-LJQANCHMSA-N 426.314 5.151 0 40 IKAB Cc1nc(CC2(C(F)(F)F)CC2)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1 96028775 SFJYRPLNYDFZCY-UHFFFAOYSA-N 446.516 6.917 0 40 IKAB O=S(=O)(O)CCCCCCCCCCCCN1c2ccccc2Sc2ccccc21 98175199 WNUCLRUVIQFFCG-UHFFFAOYSA-N 447.666 7.078 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)cc2)cc1OC 101330860 UGMBGJPGFPAVCS-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102731190 PFSVTUWTNIYLCO-HTAPYJJXSA-N 430.460 5.083 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Cl)c1Cl 102933300 HGTCXHGGZFYUJS-QFIPXVFZSA-N 429.347 6.806 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3Cl)c3ccccc3C2=O)cc1 103005073 FNQSDOODRZRIHC-HMMYKYKNSA-N 446.890 5.157 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924484 PMJBQFRZSVOFFB-NFSPEQTKSA-N 448.644 5.137 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)c1 214605408 BLIVIJZYVIPLEA-RGVLZGJSSA-N 444.339 6.798 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222938474 FCCTUFMXUMGRBQ-NHCUHLMSSA-N 446.403 6.277 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 223114289 JAAHLTPXMFFDOW-PKTZIBPZSA-N 437.996 6.300 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 223242550 QZCGGZLJGMGZMY-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420842 CABDRTOZTLXCLS-SANMLTNESA-N 448.994 5.569 0 40 IKAB Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Cl)cc1Br 223908857 BJSPCWGXKQJWPA-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)C1 223988530 QNECEFVNERYYQI-SFHVURJKSA-N 443.060 5.770 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(Cl)cc1 224157268 DWWZXHGHKDIBGH-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224174241 MULURENBKTZFKS-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(C(C)(C)C)cc1 224183416 FNJSRBQCPJGZHN-UHFFFAOYSA-N 447.531 5.595 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224184475 GIENTOXTQLNOKH-BJKOFHAPSA-N 445.975 6.481 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@H](C)CC(C)(C)c2ccccc2)cc1NC(=O)C(C)C 224224566 OLKWYWQZQPAOPC-QGZVFWFLSA-N 448.654 5.038 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 224410893 YFJKQMHWQIKOSB-XZOQPEGZSA-N 447.560 6.142 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(Cl)cc1 224501448 RKZMMWWJFGVQSW-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542467 RIHCWBGZBVFSFY-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cc(C)cc(C)c1C 224611816 XTLXHKOGMDQHDZ-UHFFFAOYSA-N 449.547 5.859 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c1 225051660 GPNCFHJZGQCSGZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 225166664 KWOUDBJMHLPRCH-IBGZPJMESA-N 445.003 5.176 0 40 IKAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c1 225363061 NSEPLXDUWVXSDR-LOSJGSFVSA-N 446.620 5.963 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225864520 MSGWVLFHCLZBCU-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 245228860 HUQRNDUHICMJEI-LNMBMJLDSA-N 430.529 5.220 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408636329 OJQQOPOAGMYDRA-UHFFFAOYSA-N 446.506 6.007 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2cccc(C)c2)cc1 408695420 QNBPRNLNIDPHDH-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2C)c1 408697908 MOYDJPHXTGGDHT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(Cl)c2)cc1 408698163 LPXATCLZIVWILR-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(Cl)cc2)c1 408698833 SDGCNUQTZIGXLN-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(F)cc1 408822880 CHMJOHUFZVPION-UHFFFAOYSA-N 430.548 6.672 0 40 IKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(OC)cc1 408836744 UZNNKURIMUTKPZ-UHFFFAOYSA-N 428.557 6.691 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Cl)cc2Cl)cc1 409094807 FUXPVALMLJZSGV-NHDPSOOVSA-N 428.340 6.658 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc3ccccc23)cc1 409102270 RLBBEMDHYPLMPR-OYKKKHCWSA-N 445.440 6.930 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)cc1 409115027 HVSJHYABUVIYQZ-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409120775 TYTQGJQAWVJCFF-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3F)c3c(CC)cccc23)C1=O 409127372 JGHAMYZJSTZIII-HMAPJEAMSA-N 436.552 6.228 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCc1cccc2ccccc12 409136505 UYMSNAWQDWTITB-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Cl)ccc1Cl 409318839 XYGLWXJWOZQWQJ-UHFFFAOYSA-N 428.724 6.240 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccc(C)cc2)c1C 871474 NFGPYGXVZMNSAK-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 883284 NRBXGQGGCWYRTD-UHFFFAOYSA-N 449.620 5.767 0 40 IKAB O=C1[C@H]2CS[C@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 1064742 XVHKLEXJOAPXKI-GDBMZVCRSA-N 428.888 5.107 0 40 IKAB O=C(Cn1c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)cc2sccc21)c1ccccc1 1324426 HAJRYHTYXOGQOW-FQEVSTJZSA-N 448.544 5.000 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(OC)cc3)cc2c1 1327161 KZQRKRNLDUTCQP-UHFFFAOYSA-N 441.531 5.333 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)c3ccc(S(C)(=O)=O)cc3Cl)cc2)cc1 1400383 GMJYCZAISZWUBW-UHFFFAOYSA-N 431.966 5.455 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)oc2c1 1413842 OXQFLCVVXKQRNC-UHFFFAOYSA-N 427.485 5.676 0 40 IKAB CCCc1cc(N2CCN(c3ccccc3C)CC2)n2nc(C)c(-c3ccccc3)c2n1 2242252 ICPCBSSJIWWXQI-UHFFFAOYSA-N 425.580 5.292 0 40 IKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 2374947 HDHHGMYOPCSRJB-IAGOWNOFSA-N 430.552 5.872 0 40 IKAB Cc1ccccc1CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(Cl)cc1 2440849 GJGZIIBLMWLQRG-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CCCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@H](C)CC)ccc3o2)ccc1Cl 2593659 KBPOBIKKNNQVDK-CQSZACIVSA-N 444.000 6.665 0 40 IKAB O=C(CSc1nnc(NC2CCCCC2)s1)NC(c1ccccc1)c1ccccc1 2634533 CRZSHLVMDNHBND-UHFFFAOYSA-N 438.622 5.281 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)CCCc1ccccc1 2758397 JHBHJTVXQXYHSY-UHFFFAOYSA-N 443.568 6.706 0 40 IKAB CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2798824 DUAJWTSLDNWIEL-OAHLLOKOSA-N 445.510 6.405 0 40 IKAB S=c1oc(-c2ccccc2Br)nn1CN(c1ccccc1)c1ccccc1 3057174 XJVFVSXWGNZUCI-UHFFFAOYSA-N 438.350 6.431 0 40 IKAB O=C(Nc1nc2ccc(SC(F)F)cc2s1)C(c1ccccc1)c1ccccc1 3261943 RBUGAJSXZFTWIP-UHFFFAOYSA-N 426.513 6.382 0 40 IKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)-c2ccccc2O[C@@H]3c2ccccc2)cc1 3341951 QGXLFURWDKTBJG-GDLZYMKVSA-N 445.587 7.909 0 40 IKAB CC(=O)Nc1ccc(C(=O)Nc2nc(-c3cc(C)n(Cc4ccccc4)c3C)cs2)cc1 3346604 PIITVCCJJWAOHX-UHFFFAOYSA-N 444.560 5.487 0 40 IKAB aggregator CCCCCCN(C(=O)COC(=O)c1cccc(O)c1)c1nc(-c2ccccc2)cs1 3363692 SQQXNWYYQBZOBA-UHFFFAOYSA-N 438.549 5.286 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)cc1 4848530 FSGMVIFELTUCRW-RUZDIDTESA-N 427.548 5.227 0 40 IKAB Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)c(C)c1 5337137 HPQPZOJSFZEREO-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB COc1cc2c(cc1NC(=O)COc1ccc(Br)c(C)c1)oc1ccccc12 8385589 HDNAMTJVCOGQEK-UHFFFAOYSA-N 440.293 5.683 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 8738584 KBVAPXSPUAFYMM-OAQYLSRUSA-N 447.022 7.509 0 40 IKAB Clc1ccc(CSCc2cc(NCc3ccccc3)nc(-c3ccccc3)n2)cc1 8925810 GEDOKBQPHURSIL-UHFFFAOYSA-N 431.992 6.843 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(I)c3)sc2c1 9057069 NOWPUDADHPDIEC-UHFFFAOYSA-N 427.694 5.720 0 40 IKAB CCc1ccc(-c2nc(C)c(C(=O)N3CCc4cc5c(cc4[C@@H]3C)OCCCO5)s2)cc1 9129017 NYOCOCUKAROHCN-KRWDZBQOSA-N 448.588 5.602 0 40 IKAB COc1cccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)c1 9366767 XUBUPRGKBGMKAN-UHFFFAOYSA-N 425.457 5.110 0 40 IKAB O=C1c2ccccc2N[C@H](c2cc(Br)cs2)N1c1ccc2c(c1)OCO2 9368429 FBZKDTFZMADEIW-SFHVURJKSA-N 429.295 5.010 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc(-c3ccc(C)cc3)[nH]2)cs1 9683599 XXFRFBUXPKRNRS-UHFFFAOYSA-N 449.605 5.830 0 40 IKAB COc1cccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)c1 9933409 MSICXSIPUOQGDU-UHFFFAOYSA-N 445.444 6.782 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1Br 10475553 YXQSLRNXXNFHLU-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB CC[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(OC)cc1 11237939 MLFLPZYMHRCTKE-XMMPIXPASA-N 440.543 6.217 0 40 IKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 11865240 XJLDFZOQYGPKLR-UHFFFAOYSA-N 430.456 5.568 0 40 IKAB biogenic CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)Cc3ccc(F)cc3)n2)cc1 12442185 XSJVJCIKECSMOE-UHFFFAOYSA-N 436.512 5.023 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 12447221 LCWTUKZQHGATBZ-NRFANRHFSA-N 425.532 5.231 0 40 IKAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n(C[C@@H]2CCCO2)c1C 12519929 HSYISDBTOYUPKN-AWEZNQCLSA-N 447.910 5.082 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@@]2(C)C3(Cl)Cl)cc1OC 12656600 BSUGGWNAIDDENT-VXNXHJTFSA-N 441.354 6.317 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1CCc1ccccc1 12871885 YGFCIXYAIJNXOP-UHFFFAOYSA-N 441.358 5.489 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 12991476 CLUTULRLKJVCCZ-ZDUSSCGKSA-N 435.380 5.490 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4sccc34)[C@H](c3ccco3)C2)cc1 13115459 UKZASEYOPGPZGD-SFHVURJKSA-N 434.546 5.063 0 40 IKAB C[C@H](OC(=O)c1ccc(OC(F)F)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13145497 HLFRHMIDMJZEGI-LBPRGKRZSA-N 442.443 5.171 0 40 IKAB CCOc1cc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)ccc1O 13552982 UPZPLGTYEQMZEP-UHFFFAOYSA-N 435.321 6.278 0 40 IKAB Nc1c(C(=O)c2cccs2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 13739417 JUYORLJVXCRGLB-UHFFFAOYSA-N 430.529 6.644 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 13763898 LBMQWGLSKLHDSA-ZGYHLWMKSA-N 445.606 7.163 0 40 IKAB Brc1ccc(CSCCCSCc2ccc(Br)cc2)cc1 16401861 KIURGEWFIANEKY-UHFFFAOYSA-N 446.273 6.768 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 17095995 HAQXNAATIKIISC-UHFFFAOYSA-N 428.536 5.723 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cccc(Cl)c3)CC2)n1 19084739 BQTGVAUPYILJOM-UHFFFAOYSA-N 434.971 5.509 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 19581653 SNFHUXMLVXTTSW-JWQCQUIFSA-N 442.559 5.014 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)cc1 19690707 KWNOOSZQJJCUKD-QFIPXVFZSA-N 432.568 5.074 0 40 IKAB Cn1cc(CN2CCC3(CC=CCN(Cc4ccc(F)cc4)C3=O)CC2)c2cc(F)ccc21 19742715 YJWQBDMZAYGBCH-UHFFFAOYSA-N 449.545 5.027 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c1 19947397 ZZSQKKFVWPITAE-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB CCOc1ccc(NC(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20083211 OSSRPHQRWXSCLL-UHFFFAOYSA-N 431.605 5.189 0 40 IKAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCC2 20152254 GBEKWRGEYFCKOX-UHFFFAOYSA-N 427.367 5.382 0 40 IKAB CCCCOc1cccc([C@@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)c1 20672436 GWMUCMMHVPWRAZ-XMMPIXPASA-N 433.552 5.847 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccccc2C)n2c(nc3ccccc32)N1 20797487 WFZXFACMJLWOCJ-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 21156844 YLTWGPPDSKOJQR-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1cccc(C)c1 28284349 ABMUTDCDUZEXNS-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3F)C23CCCCC3)n1 36354844 SMXHVGFMSUGDBD-OAQYLSRUSA-N 449.551 5.676 0 40 IKAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC1 40070283 LIQKACFPMKXVLZ-INIZCTEOSA-N 443.952 5.273 0 40 IKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 44936871 DOBNIDIQJPBOSL-QHCPKHFHSA-N 433.423 6.109 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@@H]2C)c1 58314846 FMBQHVCLPMJFRG-HTAPYJJXSA-N 427.504 5.094 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc(-c3ccccn3)no2)CC1 58367667 SWXINYKMNTXOPQ-UHFFFAOYSA-N 441.491 5.335 0 40 IKAB CCCCCC(=O)NC(=S)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 59294269 KRJMUCWYMFUHPA-UHFFFAOYSA-N 440.034 5.476 0 40 IKAB CCC[C@]1(C)CCCN(C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 72303843 WOIJTCTXPCTJSQ-VMQHTIDMSA-N 426.557 5.321 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 87528413 UBUHIKQRNDOKCZ-JABDUKPASA-N 442.728 7.140 0 40 IKAB biogenic,in-vitro CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 89662087 GCSKBMGZXBBUQY-VQTJNVASSA-N 445.991 5.749 0 40 IKAB C[C@H](c1ccccc1)N1C[C@H](c2ccccc2)[C@H]2C(=O)CCN(C(=O)OC(C)(C)C)C[C@@H]21 95951559 PNEZUKVPMORBBH-CDLYNWKESA-N 434.580 5.042 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2n1 101567085 YSZKCWIBVNWOTP-GLHSZLCASA-N 428.576 6.244 0 40 IKAB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccccc1F 214356920 UIOCYDZSLMOBCA-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc3ccccc23)cc1 222703498 UBDINTBQHONQMB-XHPQRKPJSA-N 438.527 5.261 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 222882367 VFRFIYGTSZRYOQ-UQBPGWFLSA-N 430.548 5.536 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 223068367 PAOYHAJZDHVWJV-DQEYMECFSA-N 442.588 5.035 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223227440 PRWTVKMGJCVBER-LJQANCHMSA-N 447.044 5.297 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223372462 LRQADXWTFLIYQY-NTKDMRAZSA-N 425.613 6.459 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 223806477 BWCWQZQFRWGIGI-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COc1cccc(C)c1 224116383 IKAXBUIXXQQNBU-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cc(C)cc(C)c1 224535138 RBVJSTDJHHEAQA-UHFFFAOYSA-N 432.520 5.492 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc2ccccc2c1 224647535 AUTKLGALWDSHEI-UHFFFAOYSA-N 431.576 6.660 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224727583 DXDHDYVKQXZEIR-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224753585 PSOVCCXHWLJWML-QFIPXVFZSA-N 434.624 5.356 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224877400 PXGRSUKAOCJQAE-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)cc1 225813001 PVBHSKLIKBLZKX-UHFFFAOYSA-N 433.895 6.062 0 40 IKAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Br)c2)o1 226338609 IPMGXLYMYNTKIL-ZZXKWVIFSA-N 441.112 5.471 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3nccc4ccccc34)o2)c1 257273698 NHTSTADUDJGFNJ-HSZRJFAPSA-N 427.504 5.190 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408654727 GLSNKERDXBRKSK-KRWDZBQOSA-N 426.299 5.619 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cc(Cl)ccc2C)c1 408698271 ONMSLTKBTOUPNI-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)c2ccccc21 409109756 KSDNYSDBGBSSIM-HAHDFKILSA-N 427.500 5.507 0 40 IKAB CCCOc1c(Br)cc(CNc2cccc(C)c2C)cc1Br 409118215 ZGYWWZQCOUWEHE-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2)N1CCc2ccccc2C1 409174999 XPDMLDQNBLGULJ-HNDRIHRZSA-N 434.583 6.182 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 409182338 KBLYOTTVNCZZSX-LICLKQGHSA-N 435.332 5.231 0 40 IKAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCCCC2)cc1C 409210520 KPXYVXLEAQOLLA-UHFFFAOYSA-N 448.636 5.164 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 409267841 XYXBXGQLWGOTEV-UHFFFAOYSA-N 440.362 6.704 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4ccnc5ccccc45)C3)c2C)cc1 585294308 WTDLSXMZOLFTSV-NRFANRHFSA-N 436.555 5.924 0 40 IKAB CC(C)c1ccc(CN2CCC3(CCCCc4ccccc4OCC(=O)N(C)C3)CC2)cc1 643589656 WYRKQRSASQMJLZ-UHFFFAOYSA-N 448.651 5.656 0 40 IKAB O=C(O)c1cccc(-c2ccc3c(c2)[C@H](N2CCC[C@H]2c2ccc(Cl)cc2)CCC3)n1 2037879516 AZLYSSOWJHAPKB-LOSJGSFVSA-N 432.951 6.315 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccc(C)cc1 709126 YQYWGOWFBKIDNJ-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB COc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC 849827 QFIXBHWXPCSEAH-UTKZUKDTSA-N 432.520 5.305 0 40 IKAB CCN(CC)CCC[C@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 1683245 AHXYZXWIZPCASK-KRWDZBQOSA-N 426.992 5.881 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c(NC(=O)c2ccccc2F)c(-c2ccccc2)c1=O 2200101 GOYPVSYKNGHHML-UHFFFAOYSA-N 433.870 5.253 0 40 IKAB COc1cccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)c1 2206993 LLCMFEVWVXVKOF-UHFFFAOYSA-N 445.544 5.147 0 40 IKAB Cc1ccc(NC(=O)CSc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 2390886 IPBCBGVZOPFMEP-UHFFFAOYSA-N 444.604 6.041 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2432324 LJHIHQBNTUFWAO-GBXCKJPGSA-N 445.559 5.432 0 40 IKAB COc1cccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)c1 2666303 JMJTUSYFVJFXSX-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic CCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 2721801 BRCBHUBTSDAELR-UHFFFAOYSA-N 444.397 5.501 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccco4)cc(C(F)(F)F)n3)n2)cc1 2803261 WHQSKJPYAMSKQO-UHFFFAOYSA-N 438.331 5.935 0 40 IKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3228459 CGOASIJQDZZPCP-UHFFFAOYSA-N 431.517 5.013 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)Nc3ccc(Cl)cc3)cc12 3229571 WWNQDDFJYCZKRU-UHFFFAOYSA-N 449.890 5.947 0 40 IKAB c1cncc(-c2nc(Sc3nc4ccccc4s3)c3c4c(sc3n2)CCCC4)c1 3310288 RMQWIACQGFNMEN-UHFFFAOYSA-N 432.599 6.393 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c1 3421320 DNBQFAQTEGFERL-UHFFFAOYSA-N 442.972 5.453 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 3584073 SCEKBNVSEKNFNW-UYAOXDASSA-N 444.457 5.421 0 40 IKAB Cc1ccccc1C1=N/C(=C\c2cccc(OCc3ccccc3Br)c2)C(=O)O1 8432031 PTEYJZGFOHROLV-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)[C@H](C)CCC4)cc1 8432669 LCOVDALSHIHZFD-QGZVFWFLSA-N 432.614 6.488 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)CC)CC4)cc1 8439110 HBTPLGQHXKIAEJ-KRWDZBQOSA-N 441.593 6.173 0 40 IKAB CCc1cccc2c(C3=Nn4c(nnc4[C@H]4CCCO4)S[C@@H]3c3ccccc3)c[nH]c12 8745059 MTIWRZGFHIXNLW-DENIHFKCSA-N 429.549 5.273 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3C)nc2c1 8832006 HWGIJDMFXJUWPX-UHFFFAOYSA-N 448.950 6.870 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc(-c2ccccc2)cs1 8832046 RMWGAEMXNNSNEK-VQHVLOKHSA-N 441.339 7.029 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@@H]1CCCO1 8973183 VIRVWGRWVAGDNA-IBGZPJMESA-N 428.536 5.388 0 40 IKAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 9044409 RYFKASGSSBNVOZ-VWLOTQADSA-N 441.600 5.803 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 9114022 GWSQTMKXKRNSQO-PXDATVDWSA-N 431.536 5.064 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(CC(=O)N1c3ccccc3Sc3ccccc31)CC2 9129537 GQTROGJMGGUQLM-KRWDZBQOSA-N 446.572 5.452 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(sc4ccccc43)c2=O)cc1 9130245 XFMKJSVHQYLECB-UHFFFAOYSA-N 445.471 6.075 0 40 IKAB C[C@@H](NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 9142355 ISDONNFKCFGCFU-PYMPDBRZSA-N 448.632 5.475 0 40 IKAB COCc1cc(C)nc2sc(C(=O)N3c4ccccc4Sc4ccccc43)c(N)c12 9273794 HTBISEGOPDEACC-UHFFFAOYSA-N 433.558 5.776 0 40 IKAB COc1cccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c1 9391142 QOTXCCXFAVRQFA-HXUWFJFHSA-N 432.376 5.606 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cc(OC)ccc2OC)[nH]c2ccccc12 9426287 LTVOIRNNGOCVCF-AREMUKBSSA-N 426.516 5.807 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)cc1 9468458 QNXPXQVMGCROMK-QHCPKHFHSA-N 440.572 5.925 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)COc3ccc(C(=O)c4ccccc4)cc3)s2)cs1 9494885 ZWZJGHGEUHEVLK-UHFFFAOYSA-N 448.569 5.106 0 40 IKAB COc1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1Cl 9606299 SCGQHFSAVWDPHP-FQEVSTJZSA-N 426.303 6.254 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c1C 9846583 NFDPCDBYZDCUGG-QMTHXVAHSA-N 443.594 5.434 0 40 IKAB Cn1c(SCc2ccccc2Cl)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 9891869 FJUNROFMAKCDFU-UHFFFAOYSA-N 434.952 5.680 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 9892801 RPOPYWYKJJZWIH-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB COc1ccc([C@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 10075695 LIZJOTZZOXFTGC-GOSISDBHSA-N 439.519 5.010 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)CSc4ccc(Cl)cc4)cc3)oc2cc1C 10120383 LUCCGQOKBHORET-UHFFFAOYSA-N 436.964 6.174 0 40 IKAB O=c1c2ccccc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)c(Cl)c1 10156762 WHRFGNLCEDDDGX-UHFFFAOYSA-N 431.706 5.161 0 40 IKAB C[C@@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)c1ccc(-c2ccccc2)c(F)c1 12390385 ZINZFFJYSLIRTO-NQIIRXRSSA-N 428.511 5.045 0 40 IKAB CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 13026721 GINKZWJWVLSHFS-VWLOTQADSA-N 448.538 5.989 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccccc1F 13304469 NJYZHENGFYCVLU-VBGLAJCLSA-N 432.262 7.991 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCc2sccc2[C@@H]1c1cccs1 14128648 DWCFMRDRZAJPFP-OAQYLSRUSA-N 439.537 5.106 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 14272219 JOOVHMQXLNBSGS-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1ccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3ccc(C)cc3C)C2)c(C)c1 16284958 XNWRFHDOMHALSH-SZPZYZBQSA-N 436.600 5.670 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 16610860 CJGHOSWXIGOZHK-ZDUSSCGKSA-N 439.309 6.616 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 16639233 XPXOWJGCZGQOPL-LJQANCHMSA-N 442.559 7.440 0 40 IKAB CCOc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccc(OC)c(OC)c2)n1 16688106 DANZPMOLARNXRX-UHFFFAOYSA-N 437.883 5.535 0 40 IKAB C=Cc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 17095231 YPHUOBHQZHXOEI-UHFFFAOYSA-N 426.991 7.795 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCC(C)CC3)o2)cc1Cl 17099338 VUWMKCZGZSTVNT-ZRDIBKRKSA-N 434.967 6.797 0 40 IKAB C[C@@H]1CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3nc4ccccc4s3)c2C1 19817259 KENCCSWHEDEVDD-LBPRGKRZSA-N 442.466 6.009 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20495389 PCZZYVDJSZUWOM-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB COc1ccc(CCN2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1 20610085 BYBPXSWPCHYVEN-UHFFFAOYSA-N 427.500 5.172 0 40 IKAB biogenic O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072593 YHAVMVRDTANOJU-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CCC[C@@H](CNC(=O)CSc1nnc(CSC)o1)c1ccc(Cl)cc1Cl 22094819 VOHPMJQFSGMBIJ-NSHDSACASA-N 434.414 5.032 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccc(C)cc2C)cc1 24522641 DXLNEMOLMRASOJ-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COc1cccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c1 26505131 QYBQVNVVTHMSPF-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cccc(Cl)c1Cl 32116751 IVHMRBKPULFXJD-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB CCCOC(=O)c1cc(NC(=O)Cn2ccc3cc(Br)ccc32)ccc1Cl 32124773 WWSZLUNGWWLKTL-UHFFFAOYSA-N 449.732 5.263 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1C 35363021 ZKZUPUCBZYNMCC-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 36370391 WUEJPIZHKVWRIN-XMZIXOGTSA-N 425.385 5.179 0 40 IKAB O=C(NCc1ccccc1Cl)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501133 XQALBXLWVWUFPK-UHFFFAOYSA-N 435.886 5.174 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(ccn3CC(C)C)c2)c1 58003238 JNHRVHDGYXAHPO-UHFFFAOYSA-N 433.581 5.556 0 40 IKAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 72375652 LMQUXXSJLTYJRW-LJQANCHMSA-N 439.560 5.065 0 40 IKAB CCCCCN1C(=O)[C@@]2(c3ccccc31)c1[nH]c3ccccc3c1C[C@@H](C)N2C(=O)CC 95115740 RXMCCQKEPKHXNY-DNOBIOAJSA-N 429.564 5.132 0 40 IKAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 101220499 IRKTWDNRKMSRGK-CYXNTTPDSA-N 434.495 5.199 0 40 IKAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1cc(Cl)cc(Cl)c1 101354156 VKGDKSULLXBNIB-UHFFFAOYSA-N 438.314 5.490 0 40 IKAB CC1(C)CC2=Nc3nc(S)nc(O)c3[C@@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 102925161 ITDRVXPRQKGHKR-IBGZPJMESA-N 445.544 6.113 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1 103087732 HIFMEZWRVWHWBI-PNHOKKKMSA-N 444.457 5.157 0 40 IKAB CC(C)=CCC[C@@]1(C)CC[C@@]2(C)[C@@H]3CC[C@@]4(C)[C@H](C)C(=O)CC[C@@H]4[C@@]3(C)CC[C@]2(C)C1 169646982 HXPXUNQUXCHJLL-LFCAMWDQSA-N 426.729 8.767 0 40 IKAB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccc(F)cc1 214262819 JIGCAFAVKHLYMN-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214942395 NEQGUEZNQOSFSP-BXUJETTOSA-N 446.366 5.863 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220735088 CXXUGFGJVJIOSY-FQEVSTJZSA-N 437.005 5.264 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079788 WOLUQFFXFSTOKY-UHFFFAOYSA-N 442.412 5.690 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(I)cc2)c2ccccc2O1 223124205 DISSLWFDGAKSFG-QGZVFWFLSA-N 435.305 5.104 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 223227153 DOOKBVVDVPPDRH-LJQANCHMSA-N 445.003 5.176 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 223380519 NSMLAEAXGDWTMS-JWQCQUIFSA-N 430.621 5.788 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)c1 224226733 PXRBXTHPNXPVLK-FCHUYYIVSA-N 445.617 5.431 0 40 IKAB Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl 224270161 QUYQAGZXRLSOBY-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224300515 BWXOOQHWDQDAEV-HXUWFJFHSA-N 440.603 5.245 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224347357 BUXVXPKHODDDFH-DQEYMECFSA-N 425.557 6.081 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(C)c1 224384921 WDPLJQJHOIDCPP-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)cc1 224576456 HMGRDHNVIMXSKN-DNQXCXABSA-N 444.535 5.197 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224884721 QPIQOVONDGLWCK-UHFFFAOYSA-N 447.284 5.743 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225163606 NPDNSOXGWCSSIU-UXHICEINSA-N 443.031 5.728 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225276723 GCEFGEWJNYQHDJ-XMMPIXPASA-N 426.576 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225477143 GMDUPRLVKLJMIW-SQJMNOBHSA-N 436.640 5.639 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225493462 VJZXGCHXFBTGHH-IBGZPJMESA-N 428.532 5.074 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 225514889 CBUDSOKATXMALZ-PXDATVDWSA-N 446.591 5.249 0 40 IKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225615125 RGPQLXCQTUFYIW-UHFFFAOYSA-N 436.927 6.108 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1snnc1-c1ccc(Br)cc1 225783859 HPWPUFYHSFFJEO-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@H]2CCc2ccccc2)nc1CCc1ccc(F)cc1 257222699 DUKAAVYFRKIKDK-QFIPXVFZSA-N 433.527 5.091 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC[C@H](C)C1 260818209 XUAOYKPJHRETSU-VVZHRXSXSA-N 430.633 5.644 0 40 IKAB O=C(Nc1cccc(I)c1)c1ccc(OCc2ccccc2)cc1 310381621 BNTSVGKQSBKETG-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)c1 408693906 AZWZWLPPEWLVHO-UHFFFAOYSA-N 440.590 5.549 0 40 IKAB Cc1cc(Br)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)cc1C 408910642 HGWVDLIXUYJDEA-UHFFFAOYSA-N 431.157 6.170 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1CCc1ccccc1 409006467 JRXKGNGZIRFIQR-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB Cc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c(C)c1 409109588 HTPYTYGBHOWMDS-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409243457 WNZRDXBAJMHZEE-XQNSMLJCSA-N 433.529 5.492 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(CSCc3ccc(F)cc3)n2C)c(C)c1 409360999 OLBFXNQAOWAZAS-UHFFFAOYSA-N 444.601 5.044 0 40 IKAB O=c1oc2c(Br)cc(Br)cc2cc1-c1nnc(-c2ccccc2)o1 846051 LNLHBRWEUOGXLB-UHFFFAOYSA-N 448.070 5.035 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1ccc(Cl)cc1 874665 VBQJMJJOVUALIB-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 937242 HIWQUHTUGDQUSV-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB CC(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 1178285 YEJTVPQSFWSAED-LFIBNONCSA-N 425.463 5.533 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1cccc(Cl)c1 1380048 KOPFOVHASKFQHN-HXUWFJFHSA-N 428.941 5.441 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccccc2Cl)N2CCOCC2)c1C 1448777 ORHCYFBMDNVVMJ-FQEVSTJZSA-N 430.957 5.285 0 40 IKAB COc1ccc2nc3c(c(NCCCN(CCC(C)C)CCC(C)C)c2c1)CCCC3 1591943 GSUAYAOUPHHXPJ-UHFFFAOYSA-N 425.661 6.318 0 40 IKAB CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1nc(-c2ccccc2)cs1 1768356 KCHISNMEZWOYSU-UHFFFAOYSA-N 445.382 5.888 0 40 IKAB O=C(Oc1ccc(Br)cc1Br)c1cccc(Br)c1 2054374 NNLIFVZNZBIXLG-UHFFFAOYSA-N 434.909 5.193 0 40 IKAB COc1ccccc1-c1nc(C(=O)NCCCc2ccccc2)cc2c1[nH]c1ccccc12 2124861 QJZLIFVJZZOCSW-UHFFFAOYSA-N 435.527 5.754 0 40 IKAB biogenic CCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2425914 BEFFJJYRZFNVML-UHFFFAOYSA-N 448.548 5.190 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2-c2ccc(Cl)cc2)cc1 2449999 JYGSISXQSLPAIM-NRFANRHFSA-N 442.028 6.546 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H](c3ccc(Cl)cc3)C(C)C)n2)c1 2653245 NOOTWPAIEOQHSW-FQEVSTJZSA-N 430.957 5.859 0 40 IKAB CC(C)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2798825 DUAJWTSLDNWIEL-HNNXBMFYSA-N 445.510 6.405 0 40 IKAB CCc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2ccncc2)cc1 3284684 IWYQGPZGLFOYRI-UHFFFAOYSA-N 440.494 6.203 0 40 IKAB O=C(c1cccs1)c1noc(-c2ccc3ccccc3c2)c1S(=O)(=O)c1ccccc1 3848886 YAHAACJTONEELA-UHFFFAOYSA-N 445.521 5.620 0 40 IKAB biogenic C[C@@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5004599 DSEKYWAQQVUQTP-KBISRJKLSA-N 442.728 7.428 0 40 IKAB CCCCCc1ccc(OCCCCN2CCc3c(ncn3C)C2)c(CCCCC)c1 5397764 BEBYTTNNHUSWQF-UHFFFAOYSA-N 425.661 6.103 0 40 IKAB CCOC(=O)c1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 6148262 PTZQUNAQBNMGCO-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB CC(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 8606552 FMQMWWPLMSZSDC-MHZLTWQESA-N 437.543 5.694 0 40 IKAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 8781943 NUDSYNPDUAFBBR-XNTDXEJSSA-N 437.421 5.744 0 40 IKAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 8810370 YRZHPGPDXMLTQD-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(=O)c(-c3ccccc3)nnc2s1 8992300 WORNPSVSAYJOCX-OAHLLOKOSA-N 428.492 5.171 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccs2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 9087766 LPJQVZLAGODLRX-WNSKOXEYSA-N 431.517 5.577 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1ccc(-c2ccc(Cl)cc2Cl)o1 9142345 DSJXRYCGUXFAJX-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N(C)Cc2ccccc2N2CCCCC2)c1 9208744 HDWGKRSLVSLLLK-UHFFFAOYSA-N 433.552 5.133 0 40 IKAB CCCCSc1nnc(NC(=O)CSc2nc3cc(Cl)ccc3s2)s1 9288408 QMCIUVIEJCGCAJ-UHFFFAOYSA-N 431.033 5.424 0 40 IKAB Clc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9290909 MOVQQQYSHFCABJ-TZIWHRDSSA-N 438.756 6.599 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC 9303392 USRLRTYQDYXFBT-WXVAWEFUSA-N 444.531 5.572 0 40 IKAB O=C(Cc1ccccc1)Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2 9327716 MTFKRAMEGVBVHM-UHFFFAOYSA-N 433.847 5.023 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 9366781 KQOHDJPBBYPPOS-UHFFFAOYSA-N 439.484 5.500 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)[nH]1 9489153 GVXNMSHMQYWOLJ-UHFFFAOYSA-N 442.544 5.036 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)c1 9634987 IUSYTQHOMVARLN-OAQYLSRUSA-N 432.524 5.402 0 40 IKAB CCOc1cc(Br)c(CSc2nnc(-c3ccccc3)o2)cc1OCC 9644190 CIYMHVAIEUKGRT-UHFFFAOYSA-N 435.343 5.589 0 40 IKAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C)c(Cl)c1 9855786 RBJGJKXPXPUHDL-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(Cl)c2)cc1 9908168 OEEDNIACDAWPGX-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12196531 QNRORTJHDPKVDY-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1 12250491 CSMNJNYVICORMZ-UHFFFAOYSA-N 427.573 6.239 0 40 IKAB O=C(CSc1nc2ccccc2n1C1CCCCC1)c1ccc(Br)s1 12360403 PRWXUAHHPZOLLJ-UHFFFAOYSA-N 435.412 6.341 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-n3nc(C(F)(F)F)cc3-c3ccccc3)cc2)cc1 12420417 MAWUJJQMYJQZFP-UHFFFAOYSA-N 437.421 5.819 0 40 IKAB CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccc(F)cc4CC[C@H]3C)c12 12500062 FEOWFEHHVBARQL-GFCCVEGCSA-N 429.586 5.470 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3-c3ccc(C)cc3)no2)cc1 12765540 AEHOGRQFEIRBKZ-UHFFFAOYSA-N 440.532 5.288 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13113048 REQNZIJYUJRAOS-SNVBAGLBSA-N 426.851 5.263 0 40 IKAB Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)c1 13513903 PLZBPBVXAHIYHG-UHFFFAOYSA-N 428.963 6.656 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1cccc(Cl)c1)CC2 13690596 WTUKOZHYVILEJN-QHCPKHFHSA-N 440.902 5.676 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)cc1Cl 13946061 SNXOJSPVCJPREP-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB CCN(CC)Cc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 14017456 XVFNINRVCSEQIS-UHFFFAOYSA-N 440.547 5.175 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc1Cl 15008566 VJGOGCZSGFETGL-YBFXNURJSA-N 439.876 5.535 0 40 IKAB CCc1cccc(C)c1Nc1c(-c2cc(C(C)C)c(O)c(C(C)C)c2)nc2ncccn12 15414252 BDMCZCYMVKJDLX-UHFFFAOYSA-N 428.580 6.963 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 15947756 DCTIIEMDZAIMCY-JEOXALJRSA-N 443.366 6.324 0 40 IKAB CC(C)(C)c1ccc(/C=c2\sc3nc(-c4ccccc4)c(-c4ccccc4)n3c2=O)cc1 16323082 QISKGLSMAFWSNC-NKFKGCMQSA-N 436.580 5.935 0 40 IKAB CCCCCC(=O)N[C@H](Nc1cc(Cl)ccc1C(F)(F)F)C(Cl)(Cl)Cl 16637788 MJKKRTCKPGXPPG-ZDUSSCGKSA-N 440.120 6.164 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 17097535 PXXSJZLIRKFXCT-UHFFFAOYSA-N 431.517 5.193 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17102770 MHVYUASTZXBWIM-UHFFFAOYSA-N 438.858 5.647 0 40 IKAB CC1=C(CC[C@@H](C)N(C)Cc2ccc(OCCCN3CCCC3)cc2)C(C)(C)CCC1 17148014 RBXOPQWTFVHNTK-XMMPIXPASA-N 426.689 6.678 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(Cl)ccc2C)c1 17248125 ANGNGTITEIFERH-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)c(Cl)c1)N[C@@H](c1ccc(C)cn1)C2 19216070 ARSLJJHRKQELRW-NFBKMPQASA-N 429.347 5.690 0 40 IKAB C[C@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 19457128 QDLZMQBAZWKAQL-MRXNPFEDSA-N 442.604 5.330 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc3c2CCCC3)c1 19632183 LRMSCPDGQMWNOZ-IRXDYDNUSA-N 440.565 5.017 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(Cl)c3C)o2)cc1Cl 19642953 NCSQSECOAKDJQM-PKNBQFBNSA-N 445.371 6.397 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 20062789 IVKBZVDJXRZMSU-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1C 21005645 LCGLATWTMZIMDP-VWLOTQADSA-N 439.515 5.343 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22053527 TVWGRGYQBKFWNC-UHFFFAOYSA-N 425.332 6.115 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)c3c[nH]c4ccccc34)n2C)cc1 22434772 KFOFQDXVKAHLMS-MRXNPFEDSA-N 433.581 5.173 0 40 IKAB CC(C)c1ccc(-c2nc(C(=O)N(C)[C@H](C)c3ccc(S(C)(=O)=O)cc3)cs2)cc1 24777521 WPGAHAPEZQARLR-MRXNPFEDSA-N 442.606 5.170 0 40 IKAB COc1cc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccn2)cc(OC)c1OC 27992397 PFMFYEIZIVKMFN-UHFFFAOYSA-N 434.536 5.252 0 40 IKAB CC1=C[C@@H](CNCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 30883468 KTFYHSPKPJAARM-JTAQYXEDSA-N 434.559 5.458 0 40 IKAB biogenic,in-vitro O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cc(Cl)cc(Cl)c1 32604146 XKHRQAGNGJJRGG-UHFFFAOYSA-N 437.327 5.457 0 40 IKAB Cc1ccc(-c2nc(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)no2)cc1 32906016 ZJMUCPICLWQWSX-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB Cc1csc([C@@H](C#N)C(=O)c2cc3c(-c4ccccc4)nn(-c4ccccc4)c3s2)n1 33546171 WTFOKPQYOXMPDB-IBGZPJMESA-N 440.553 6.009 0 40 IKAB COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1Cl 38850235 QJYRICJEQFJFPY-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB CCc1nn2c(ncc3c(=O)n(CCc4c[nH]c5ccc(C)cc45)ccc32)c1-c1ccccc1 40387903 QIWSOKZHHVAKGO-UHFFFAOYSA-N 447.542 5.306 0 40 IKAB C[C@H]1CCc2sc3ncnc(N4CCN(Cc5ccc(Cl)c(Cl)c5)CC4)c3c2C1 54290455 MCVCOILFWLIGNN-AWEZNQCLSA-N 447.435 5.445 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@H]3CCC1 57049726 MKXJUHPZFKVOIT-DEOSSOPVSA-N 447.623 5.132 0 40 IKAB biogenic CC(C)Oc1ccc(CC[C@@H](C)NC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1 65492621 VABDKDAHNXROHK-FGZHOGPDSA-N 440.628 5.903 0 40 IKAB COc1ccc(Cc2ccc(F)cc2)cc1-c1noc(-c2cccc(Br)c2)n1 66088560 URHYMQKTQNIRKJ-UHFFFAOYSA-N 439.284 5.905 0 40 IKAB Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3cccc4ncccc34)C2)n[nH]1 72371724 XXIKNKKBVRRXQW-IBGZPJMESA-N 432.955 5.222 0 40 IKAB COc1ccc2c(c1)c(CN1CCC[C@H]1c1cccc(Nc3ncccn3)n1)cn2C(C)C 72375778 FQRKMDUUBKUSRD-DEOSSOPVSA-N 442.567 5.497 0 40 IKAB CCc1nnc(Nc2cccc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)n2)s1 72376046 RTMCBCOKGAFNMD-IBGZPJMESA-N 430.581 5.167 0 40 IKAB O=C(NC(=S)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1)c1ccco1 89821543 FYNUBIMWDZHAKF-XFKFLFHRSA-N 441.556 5.591 0 40 IKAB COc1cc(OC)c([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 100850347 BCAVEXKUNZWIHN-OAQYLSRUSA-N 447.922 5.772 0 40 IKAB O=C(CN1c2ccccc2N=C2CCCC(O)=C2[C@H]1c1ccco1)Nc1ccccc1Cl 104017478 CSUYXPULJWRWEX-RUZDIDTESA-N 447.922 6.202 0 40 IKAB CC[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 222729117 DKGQGTNJEJTSBU-KRWDZBQOSA-N 428.381 5.511 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 222775686 ULZYWLRZOIQTJG-MRXNPFEDSA-N 442.968 5.194 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222922124 ZJDDLQDGBOJAFM-HSZRJFAPSA-N 437.967 7.226 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 223731247 FWHZPCDFQOADTD-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1 224195958 KMTKGZCJSSZTGH-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224199846 HFHQVSIVYIENEK-KRCUYCIMSA-N 443.631 6.829 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224689061 YARDLIKLZIYCLA-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224766088 FKIBFJPFXZTACJ-RUZDIDTESA-N 448.994 5.047 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225130612 NOIRLIFGFZIKSI-AREMUKBSSA-N 430.592 5.414 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225134925 VLCZZUAXNFLQTQ-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB CCCCCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc2c1=O 225534022 RRSTWNJTJCKJBS-UHFFFAOYSA-N 440.956 5.582 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1)N1CCCCC1 225547580 WWIFDNDKIIWCIP-UHFFFAOYSA-N 438.543 5.058 0 40 IKAB CCc1cc(Br)cc(C)c1NC(=O)c1ccc(I)cc1 226095635 LSTNICJDSVPPGI-UHFFFAOYSA-N 444.110 5.177 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 257226639 FLMNBZJOWFZJGV-KCZVDYSFSA-N 446.595 5.757 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257231239 GFXBJDBAIAEPRI-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H](C)Cc3cccc(Cl)c3)CC2)nc1 257238090 HJNLRPHTKFUZCO-NRFANRHFSA-N 447.022 6.219 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCc3ccc(Cl)cc3)CC(=O)O)c(-c3ccccc3)c2c1 257273157 NFMPXRXQEDVYHX-UHFFFAOYSA-N 446.934 5.566 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc(C(=O)OC)c1 408574000 GVOVAHYAPIZJLT-UHFFFAOYSA-N 449.528 5.113 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)c(C)c1 408597152 XNTZJPULXGLVFV-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 408598890 CGYMDBQFPWOOPO-UHFFFAOYSA-N 426.545 5.553 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1nc2ccccc2o1 408634420 QZHNUEJYNBJINE-ZDLGFXPLSA-N 432.284 6.612 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1 408646070 SYORWDXNPOYPKI-SFHVURJKSA-N 446.522 5.907 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652752 IDVDGDBCFJTTLO-NYHLSKOMSA-N 448.349 5.341 0 40 IKAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)NC(SCc2ccccc2Cl)=N1 408987144 DRGKMTGWUZXQKE-QGZVFWFLSA-N 440.783 5.340 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccc(C)cc1 409109637 INONXBIDZAOYEL-IWIPYMOSSA-N 427.544 6.126 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1cccc(Br)c1 409151165 GNDRZTVWILRATD-VIZOYTHASA-N 443.149 5.992 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(Cl)c3)C2=O)cc1 409179480 OZPOINDGDDGMEC-ODLFYWEKSA-N 444.940 5.112 0 40 IKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 409204273 FDLFTLDQQXCCLT-UHFFFAOYSA-N 440.568 6.696 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409270061 BQJSXVAAKWUMBP-UHFFFAOYSA-N 438.955 5.931 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 409354664 ADALDSIZXQRPGK-VXLYETTFSA-N 428.941 5.447 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 409411265 VQMHGOKJQHHHCR-UHFFFAOYSA-N 437.008 5.903 0 40 IKAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OCCN(C(C)C)C3=O)CC2)cc1 643563706 NQYCHCIZUUTEQD-UHFFFAOYSA-N 448.651 5.620 0 40 IKAB CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1Nc1ccc(C)c(Br)c1 949611 FHPBHUCUZCSWTE-UHFFFAOYSA-N 443.297 5.013 0 40 IKAB Cc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 958112 ROQNHVKFOWQFRK-UHFFFAOYSA-N 446.402 6.193 0 40 IKAB O=C(Nc1ccccc1C(=O)NCCc1ccccc1)/C(=C/c1ccco1)c1ccccc1 1098785 KUERJFXTAVHCSP-LKUDQCMESA-N 436.511 5.431 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2O)cc1 1223766 OATNOCBEKAJCTR-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCC(c2nc3ccccc3s2)CC1 1335349 HLFVPRLXIHVWTQ-UHFFFAOYSA-N 439.890 6.380 0 40 IKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)N(C(C)C)C(C)C)n12)CCCC3 1376495 VLGIOLKDUHUMAX-UHFFFAOYSA-N 445.658 5.079 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 1380205 PVDLFCZHDHXGKY-JOCHJYFZSA-N 440.902 5.519 0 40 IKAB Cc1ccc2c(c1)[C@H](c1ccccc1)N(C(=O)c1ccc(-c3ccccc3)cc1)CC(=O)N2 1509791 LPTBYMNSNVHQNO-NDEPHWFRSA-N 432.523 5.846 0 40 IKAB O=C(Nc1cccc2ccccc12)c1nc(Nc2cccc3ccccc23)c2ccccc2n1 1903659 DUGOPNSRZYKKGN-UHFFFAOYSA-N 440.506 6.932 0 40 IKAB Cc1cc(=O)oc2c(C)c3oc([C@H](O)c4ccc(Cl)cc4)c(-c4ccccc4)c3cc12 2180732 PPWWPKYKEYCZQM-HSZRJFAPSA-N 430.887 6.558 0 40 IKAB CCC[C@@H](Sc1nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2s1)C(=O)O 2189412 PEEFSAUDUBUYEP-GOSISDBHSA-N 442.606 6.192 0 40 IKAB CCn1c(NC(=O)c2cccc(Br)c2)c(-c2ccccc2)c(=O)c2ccccc21 2230709 YGYSEGKPLVGSNO-UHFFFAOYSA-N 447.332 5.703 0 40 IKAB CC(C)Cc1nc2sc3c(SC/C=C/c4ccccc4)ncnc3c2c2c1CCC2 2234451 GJLVUTBGTOCWAS-JXMROGBWSA-N 431.630 6.732 0 40 IKAB c1ccc(CSc2nnc3c4c5c(sc4nc(-c4ccccc4)n23)CCCC5)cc1 2273078 ZMVBDRRMRPXMAJ-UHFFFAOYSA-N 428.586 6.177 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 2340967 JTRSSLZEUJTIQN-MRXNPFEDSA-N 426.651 6.409 0 40 IKAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2370999 TVDPOCVINOIXSD-DCFHFQCYSA-N 430.312 5.717 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 2454070 MRJOVQYMJCHMDO-UHFFFAOYSA-N 436.625 5.853 0 40 IKAB Cc1oc2cc(OCc3c(Cl)cccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 2666272 DPOWFXJGDARRCO-UHFFFAOYSA-N 445.729 7.308 0 40 IKAB biogenic CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(F)cc4)cc2-3)cc1 2689454 PSBJMQJPUGRCDK-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(S(=O)(=O)NC3CCCCCC3)ccc2F)cc1 3024793 HCHSOGDRHWZMFS-UHFFFAOYSA-N 432.561 5.203 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)n1-c1ccccc1 3332830 QEZFCUCPKQSRCD-GOSISDBHSA-N 444.560 5.296 0 40 IKAB Cc1ccc(N(C(=O)c2ccccc2O)C2(C(=O)Nc3ccccc3)CCCCC2)cc1 3667581 CYCJQDGWSXREAE-UHFFFAOYSA-N 428.532 5.689 0 40 IKAB CCCCCN(CCCCC)CCCNc1c2c(nc3cc(Cl)ccc13)CCCC2 4742567 RDFRAONORPNIHO-UHFFFAOYSA-N 430.080 7.251 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)NC3CCCCC3)cc2c1 5878264 CDCLZJPBIXEYIW-UHFFFAOYSA-N 431.580 5.443 0 40 IKAB Nc1c(C(=O)NC2CC2)sc2nc(C34CC5CC(CC(C5)C3)C4)cc(C(F)(F)F)c12 8451084 HJMCQFDXCACAHO-UHFFFAOYSA-N 435.515 5.257 0 40 IKAB Cc1cccc(-c2nc(SCC(=O)Nc3ccc4c(c3)OCO4)c(-c3ccccc3)[nH]2)c1 8594677 MHMIMIBQVVEMIJ-UHFFFAOYSA-N 443.528 5.512 0 40 IKAB aggregator O=C(COC(=O)c1cc(-c2ccccc2)nc2c(Cl)cccc12)c1ccc(Cl)cc1 8722003 WRVMFSCCXCZSAL-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(-c2ccn(Cc3cccc(Cl)c3)n2)cc1 8782085 VZQGXYYQHUHECD-UHFFFAOYSA-N 427.306 6.623 0 40 IKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4cccc5ccccc45)=NN23)cc1 8816759 VEBWUHUSJBKXKB-RBYQJDNSSA-N 444.578 7.437 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3cccs3)[nH]2)cs1)c1ccccc1F 8939070 HRUJJKRZTFWOJJ-UHFFFAOYSA-N 431.543 5.106 0 40 IKAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1C 9225609 OZLDAJDGPXNNLL-RUZDIDTESA-N 448.975 5.436 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)c3sc4ccccc4c3Cl)nn12 9289061 KJNPYUUHYFVHOH-UHFFFAOYSA-N 425.926 5.282 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9300126 MRVMSAOKTCDCPQ-OAQYLSRUSA-N 430.379 5.737 0 40 IKAB Cc1cc(C)cc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 9391143 WVSRSJUBIQTIQR-NRFANRHFSA-N 430.404 6.214 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)NCC(c2ccccc2)c2ccccc2)c1 9550372 IUMJFBKODUHPPV-UHFFFAOYSA-N 426.516 5.432 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc3c(c2)OCCCO3)c1 9583890 JVIWEMATYURUCO-UHFFFAOYSA-N 448.544 5.139 0 40 IKAB CC(C)(C)c1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1 9675899 LEWIJWSKDLDCSX-UHFFFAOYSA-N 435.527 6.309 0 40 IKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)s1 9712299 DQIIOJMXBFPATJ-UHFFFAOYSA-N 429.549 5.356 0 40 IKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(F)cc1 9729555 RRPDTFQEEWZORP-ZDUSSCGKSA-N 431.920 5.348 0 40 IKAB Cc1ccc(C)c(OCCCSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 9882403 HWLPJIISXFVPMB-UHFFFAOYSA-N 431.907 6.116 0 40 IKAB CCn1c(SCC(=O)Nc2ccc3nc(C)sc3c2)nnc1-c1ccc(Cl)cc1 9993419 XKIBHCXMUJVHAI-UHFFFAOYSA-N 443.985 5.267 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN23)cc1 12194452 QDIIWHWKYDTZPI-OFNKIYASSA-N 437.337 6.408 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(CC)cc32)cc1 12486383 OIGDKYPBXQFWGN-UHFFFAOYSA-N 448.364 5.844 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 12566567 VDAZZQITAPWIPK-GFCCVEGCSA-N 429.303 5.214 0 40 IKAB COc1ccc2cc(C(=O)Nc3ccc(C(=O)Nc4ccccc4OC)cc3)ccc2c1 12568806 CUMXYWWXDVGJDX-UHFFFAOYSA-N 426.472 5.362 0 40 IKAB C[C@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12587469 MAHDPCHKTMRWPZ-OVKUEFIVSA-N 430.759 5.733 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 12656462 PMBSWZWCNKVWLV-VZQQMNOUSA-N 442.684 7.139 0 40 IKAB biogenic CCc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)NC3CCCCC3)cc2c1 12706925 KQBJKBDWBQNATE-UHFFFAOYSA-N 445.607 5.486 0 40 IKAB Cc1cccc2c(=O)[nH]c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)nc12 12948912 OKFHKBUEJPVYGD-UHFFFAOYSA-N 432.983 5.154 0 40 IKAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 13120643 VWCFMKFSSRSUMI-KRWDZBQOSA-N 435.530 5.302 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cccc(C)c4C)ccc32)cc1 13583655 MQQZQXXOYAFHHQ-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2CC)cc1 13871458 IGXCGSYBIGRGLB-AWEZNQCLSA-N 436.408 6.600 0 40 IKAB COc1ccc(OCCOc2cc(C)cc(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 13895603 VJPPTRVOEOXTRO-JJIBRWJFSA-N 443.499 5.114 0 40 IKAB C[C@H]1CCC[C@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C 14357042 XQQRZJNAYJNLCY-OTWHNJEPSA-N 438.593 5.164 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 14640064 PNAMZKNYNVBUQM-GOSISDBHSA-N 430.573 6.803 0 40 IKAB O=C1C[C@@H](c2ccc(OCc3ccccc3Cl)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085105 ANIAFWJZVNPTEE-FQEVSTJZSA-N 444.922 5.860 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Br)c2)N3)C1 16192953 WAAAETNXNVUEOZ-UGSOOPFHSA-N 433.415 6.481 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)cc1 17083454 CBGLBPNBMCVUPO-HSZRJFAPSA-N 426.299 5.001 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1 17097836 LPONWVCOFCIWRH-UHFFFAOYSA-N 432.343 5.116 0 40 IKAB C(=C(Sc1ccccc1)Sc1ccccc1)[C@H](Sc1ccccc1)c1ccccc1 17110543 MRGBBEYTMXDJGP-SANMLTNESA-N 442.674 8.946 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c(Cl)c1 19633223 HZKQESXKZCAERK-UHFFFAOYSA-N 441.318 5.362 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)nc2c1 19648275 OREFCVBGJZMEEU-INIZCTEOSA-N 448.950 6.988 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 20139567 ZSUAFRRBGQGMGJ-UHFFFAOYSA-N 432.328 6.521 0 40 IKAB CCOc1ccc(-c2noc(CSc3nnc(-c4ccc(Cl)cc4)n3CC)n2)cc1 21168954 ISUMQALQKKOHBM-UHFFFAOYSA-N 441.944 5.359 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3c4c(nn3-c3ccccc3)CCC4)c12 22533287 IXYYNGOYSRKHJR-UHFFFAOYSA-N 435.487 5.125 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 25276129 DEIKNRRUAHFOGO-UHFFFAOYSA-N 441.491 5.029 0 40 IKAB CCc1ccc(CN(Cc2cccnc2)C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 26791718 CTJADRNTUQWXKM-UHFFFAOYSA-N 447.966 5.267 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccc(C)cc3)on2)cc1 27662640 VZZCIGOJQUJOPS-UHFFFAOYSA-N 436.467 6.188 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1 32088506 YMAXNEMNTKDPDH-UHFFFAOYSA-N 429.863 5.957 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(O[C@H](C)CC)c3)sc2c1 32118972 LLXZAMXQCFQGLW-OAHLLOKOSA-N 441.622 5.943 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 32647060 NCUYFMRZTUDNAG-UHFFFAOYSA-N 445.522 6.615 0 40 IKAB CCc1ccc([C@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 32664947 UKULNWJWIMFNLM-RBUKOAKNSA-N 445.563 5.188 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395909 JEKXOKWIBQTQDH-ZRGWGRIASA-N 435.959 5.319 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@@H](C)Sc2ccccc21 48237886 RCXAFJVTZHDEEV-CQSZACIVSA-N 428.554 5.701 0 40 IKAB CC[C@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 50073094 RRINXGACOWHPCW-DNVCBOLYSA-N 445.412 5.405 0 40 IKAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)c(Cl)c1 59409215 FKPQUSIQXFDQSB-QFIPXVFZSA-N 445.371 6.278 0 40 IKAB CCCNC(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1Cl 60017058 VQCMIFGIIHVMAU-JOCHJYFZSA-N 438.980 5.952 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1 72215870 QKKRVAXUICJGHA-HSZRJFAPSA-N 443.547 6.132 0 40 IKAB CC(=O)c1cccc(NC(=O)c2c(C(F)(F)F)nn(-c3ccccc3)c2C(F)(F)F)c1 72306818 FSPQDJKXDZYJDA-UHFFFAOYSA-N 441.331 5.365 0 40 IKAB O=C(CCc1nc(-c2ccco2)no1)O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F 72307969 UMQCJDBBWZVGBI-HNNXBMFYSA-N 434.292 5.128 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Nc3nc(C)c(C)s3)n2)cc1 72375575 HJJWYYYGMOSOEO-OAQYLSRUSA-N 436.581 5.412 0 40 IKAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177391 XBRMMILTTGXFDU-ZDUSSCGKSA-N 435.446 5.383 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)Nc1cccc(CCC(F)(F)F)c1 79057107 FQWKHWVFVYAYNM-UHFFFAOYSA-N 441.540 6.068 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 89893285 ZOXXTHXJPSCAJF-UHFFFAOYSA-N 429.358 5.063 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1nn(C2CCCC2)c2c1CCCC2 96099237 LDHRFHJAESBUIK-UHFFFAOYSA-N 438.959 5.424 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5C)cc34)cs2)cc1 96154498 TVIHSRLCHBLWGU-UHFFFAOYSA-N 426.501 5.882 0 40 IKAB CCCCCOc1ccccc1NC(=O)O[C@@H]1[C@@H]2CC[C@@H]([C@@H]1CN(CC)CC)C(C)(C)C2 101011866 FFYFIZPYPAOCAI-HXKBJWFLSA-N 444.660 6.587 0 40 IKAB COc1ccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 108971542 FNPRPNSAUJEPEB-UHFFFAOYSA-N 440.532 5.438 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222983211 IVDBAFDMPYNTTF-RTWAWAEBSA-N 446.403 6.421 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 223026591 ZSNKUXVZIPOXHB-JOCHJYFZSA-N 436.640 5.559 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109251 XEDAHZPYSINVEW-BJKOFHAPSA-N 432.593 5.186 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 223193920 GSRVZNGGRQEXPM-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224486094 OIPFMLCRGSMEDM-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)C1CCN(Cc2c(F)cccc2Cl)CC1 224549593 IMWKWQYQYHAHSH-UHFFFAOYSA-N 436.914 6.229 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225052021 MLLTYRCVCWOANL-SJORKVTESA-N 435.395 5.176 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225499497 VTMFFMQZMZYEGO-SFHVURJKSA-N 441.822 6.185 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 225629519 KZHZQPLDYSQJBW-CVDCTZTESA-N 445.003 5.058 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OC(C)C 225753645 LKQLZNLYLFCPCK-UHFFFAOYSA-N 425.525 5.110 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1OC 225854097 TWAYVHCTLNNFQH-UHFFFAOYSA-N 449.414 5.531 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225856113 IBHBKNMZKXVHSY-UHFFFAOYSA-N 436.499 5.556 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4cccc5ccncc45)CC3)CCOCC2)cc1 257265876 MASFSUWFNCADJT-QHCPKHFHSA-N 442.603 5.463 0 40 IKAB O=C(O)/C(=C/c1cc(Br)cc(Cl)c1O)Sc1nc2ccccc2o1 408632050 CVSFCVFUDJSIIC-MLPAPPSSSA-N 426.675 5.167 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c(C)c1 408638631 CVCBKYVKUJHLLV-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(Cl)c2)c1 408698187 LWOAFTCZUQSMMV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cnc(-c2ccccc2)c(-c2ccccc2)n1 408721783 LZEQDHDDALBJHE-UHFFFAOYSA-N 430.305 5.825 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1Cl 408808890 FWMZBFFEKBYUME-UNOMPAQXSA-N 439.876 5.628 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(F)c1 409114233 DUZYTBNRRAVFNK-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB CO[C@@H](C(=O)NCc1ccccc1-c1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 1615058839 RQONXLZHECVYAH-AREMUKBSSA-N 432.539 5.092 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4cc(-n5cnnc5)ccc4Cl)cc3)nc2c1 679765 QGUOWEMDOWWVFJ-UHFFFAOYSA-N 443.894 5.544 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)c(OC)c1 887018 AUNZBKJVCGQDOC-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB 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CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225526024 XYDOHOAYQSRWSF-VGSWGCGISA-N 449.422 5.566 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1c(Cl)cccc1Cl 225831762 BPUSZVYRWPMZHS-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1(c2ccc(Cl)cc2)Cc2ccccc2C1 225934171 AVIMXGGDAAMZBE-UHFFFAOYSA-N 431.841 5.914 0 40 IKAB O=C(NCCc1ccccc1Cl)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257332887 XZFBOHZOYOCKJS-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@H]1CCCO1 260917949 KDYQFMFREVJYNW-ZPMCFJSWSA-N 439.968 5.147 0 40 IKAB CCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(Cl)cc1 408561382 IOZUMQVITSIRHS-RWEWTDSWSA-N 429.029 6.096 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nc2sc3c(c2c1=O)CCCC3 408599917 OGWSPOZGLSXHSF-UHFFFAOYSA-N 448.013 5.049 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)c(C)c1 408694289 ILLATVOTVMGFDL-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 409007971 TURBQKKPBNVISC-UHFFFAOYSA-N 443.956 5.220 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 409051923 DITFHHZSEIKDBP-UHFFFAOYSA-N 443.330 7.175 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OC 409111359 AAATVQMNOKVMCY-UHFFFAOYSA-N 425.310 5.263 0 40 IKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409246758 DFQHCKOYSOOZPL-LICLKQGHSA-N 439.726 5.529 0 40 IKAB Cc1ccc(-c2cccc(CN3C(=O)N[C@H](c4ccccc4OC(F)(F)F)C3=O)c2)cc1 1615054559 AEZBANDZTGDPRA-OAQYLSRUSA-N 440.421 5.354 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cncc(-c3cccc(Cl)c3)n2)CC1 1848355127 INQRWPCQLBQWRE-UHFFFAOYSA-N 430.939 5.227 0 40 IKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 973461 CXFPJVZGEIOXAC-DNQXCXABSA-N 432.520 5.279 0 40 IKAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@@H]1c1ccc(Cl)cc1 1019497 VPHPCZJHDIRLCW-SFTDATJTSA-N 425.912 5.020 0 40 IKAB COc1ccc(CCNc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 1407290 QLLXNQXHEKCDFP-FQEVSTJZSA-N 429.564 5.350 0 40 IKAB CCCCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cccc23)cc1 1777814 WFRHYSNXOXEQBG-UHFFFAOYSA-N 434.536 6.201 0 40 IKAB CCCCCC1CCC(c2ccc(-c3ccc(I)cc3)nc2)CC1 2068647 YDFZBMRKVAMKKG-UHFFFAOYSA-N 433.377 7.207 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 2186809 NHABMFSQTJXELM-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB CCOC(=O)c1c(C(=O)OCC)c(C)n(-c2ccc3c(c2)c2ccccc2n3CC)c1C 2274542 RHBFNOSJYFTVME-UHFFFAOYSA-N 432.520 5.575 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(C(F)(F)F)c1 2298551 KWIJVQVDVZDHMV-UHFFFAOYSA-N 447.420 5.427 0 40 IKAB Cc1c(Cl)cnc(NC(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c1Cl 2639966 ZMVFGKKKNBKJHY-UHFFFAOYSA-N 443.286 5.116 0 40 IKAB Cc1ccc(NC(=O)CS[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1C 2655045 HOAQRTAVZKXKEH-MRXNPFEDSA-N 449.601 5.701 0 40 IKAB CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@@H]2C)cc1 2743037 LMZAHBRNVSYUPS-WXVAWEFUSA-N 426.604 7.238 0 40 IKAB O=S(=O)(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(Br)cc1 3217426 OODWZMNVCCQDDA-UHFFFAOYSA-N 445.363 5.527 0 40 IKAB CSCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C)cc1 3250549 HJIVDYUANIJMTI-HSZRJFAPSA-N 429.589 5.617 0 40 IKAB CCC(=O)c1cc(Br)ccc1OCC(=O)Nc1cc(C)c(Cl)cc1OC 3534135 KSXBEAGAJRMDFT-UHFFFAOYSA-N 440.721 5.030 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(Cl)cc3)N2C1=O 3636811 RZVNHLSMKJNGHO-QUCCMNQESA-N 440.952 5.122 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 6599991 WDDFSEDUQWFKCE-UHFFFAOYSA-N 449.557 5.266 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 6753178 AVWMXUJDFQVROP-CTNGQTDRSA-N 425.532 5.565 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 8446416 FOUUOIDVZJCPLU-JSOSNVBQSA-N 444.530 6.235 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 8782724 OIHIHXHRQAFSFC-PMVMPFDFSA-N 440.586 5.970 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8903053 BMUACCKHEDMQTH-UHFFFAOYSA-N 429.545 6.053 0 40 IKAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1ccc2c(c1)OCCO2 8938718 YJYJIMHPKOPXKX-UHFFFAOYSA-N 432.954 5.041 0 40 IKAB O=C(CCNC(=O)c1ccccc1Cl)Nc1nc2ccc(SC(F)F)cc2s1 8982621 BLBGCUOPQLWXQB-UHFFFAOYSA-N 441.912 5.023 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2c(F)cccc2Cl)CC1 9063718 UKGMNPXXYASSAA-UHFFFAOYSA-N 443.719 5.231 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2ccccc2Cl)cc1 9066027 ZTXVXQYFQRBAAP-XZOQPEGZSA-N 430.870 5.283 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1 9307407 NGNJYQWMOBYUNI-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 9332355 IQDBDUNKWBFWHB-LJJIPZOBSA-N 437.478 5.125 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 9404606 KBWJURRELOLCCV-MHZLTWQESA-N 434.543 5.854 0 40 IKAB C[C@@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 9469617 KFEZBUMUBUOSPO-MRXNPFEDSA-N 445.544 5.097 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3F)nc12 9708983 PQJNJUVJMBPOMN-UHFFFAOYSA-N 427.888 5.339 0 40 IKAB Fc1ccccc1[C@@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 10336732 SOEVTCLAOPWVQX-WOJBJXKFSA-N 437.887 5.087 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)cc1 10369102 MDKCFYGQDOWYGF-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB C[C@@H](c1ccco1)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccn1 12490735 KEZXPMARGGPJFN-KRWDZBQOSA-N 436.433 6.768 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n(C[C@H]2CCCO2)c1C 12535277 WTEBUYXSAZBOIE-CQSZACIVSA-N 447.910 5.082 0 40 IKAB Cc1ccc(CNC(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 12565480 RNHUMYIHCNBHAI-UHFFFAOYSA-N 444.918 5.337 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NCCC1=CCCCC1 12621077 VSSMRJWSBVLJRH-UHFFFAOYSA-N 447.457 5.008 0 40 IKAB Clc1cc(CSc2nnc(Cc3cccs3)n2C2CC2)cc2c1OCCCO2 12676067 DMLCJUUMPJJPKZ-UHFFFAOYSA-N 433.986 5.372 0 40 IKAB CCCC(=O)Nc1ccc(C(=O)COC(=O)COc2cc(C)c(Cl)cc2C(C)C)cc1 12824202 SYLPNQTWRNHSRD-UHFFFAOYSA-N 445.943 5.315 0 40 IKAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(Cl)cc1Cl 12865523 OPGFAUUUWXKMRG-LLVKDONJSA-N 434.348 5.744 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 13141059 SIOXAHMCISMZLZ-QGZVFWFLSA-N 434.590 5.024 0 40 IKAB CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)cc1 13541584 STEJYSJJARKABS-URGPHPNLSA-N 441.571 7.445 0 40 IKAB C[C@@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 14068979 FGOXEWXMPIJAKJ-GOSISDBHSA-N 440.572 5.931 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2ccccc2C)cc1 14166412 FUSWVTYBIWVKEO-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccs4)n3)n2)cc1 14634727 PXXYRHMKEWNIDR-UHFFFAOYSA-N 441.603 5.965 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 14739235 XUQUGKRULVGEPL-HNNXBMFYSA-N 429.611 5.294 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 16637110 DHROMBVBZTYUMH-UHFFFAOYSA-N 444.771 5.512 0 40 IKAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688470 SJHDLZDMUWOCOT-UHFFFAOYSA-N 430.375 6.303 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)cc1 17094815 ZRYSXGBPLXAMCP-UHFFFAOYSA-N 426.472 5.339 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4ccncc4)CC3)n2)c1 19294177 XKKDNBJGQGZHAK-UHFFFAOYSA-N 440.526 5.196 0 40 IKAB c1ccc(COc2ccccc2C2N(Cc3ccccc3)CCN2Cc2ccccc2)cc1 19324042 ONKOZENLOBFQMI-UHFFFAOYSA-N 434.583 6.282 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3F)CC[C@@H]21 19349223 WNNRKAFGPUNGNQ-FIXSFTCYSA-N 438.543 5.157 0 40 IKAB C[C@@H](SCc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20040670 LDIXTTMSOZUBNI-LJQANCHMSA-N 446.616 6.497 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20486642 XNLPXRHTTZQLBZ-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 21005729 PZCYZRWJZYLKLW-XMMPIXPASA-N 427.479 5.473 0 40 IKAB CC(=O)N(c1nc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cs1)c1ccc(F)cc1F 21674789 NENDXHFECAYWJX-OVCLIPMQSA-N 431.851 5.252 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)ccc2Cl)o1 22111353 FLCBTSSUXKMKHN-UHFFFAOYSA-N 447.347 5.927 0 40 IKAB Cc1cccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256892 SFHUBVPRSJAIJP-UHFFFAOYSA-N 427.570 5.015 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1 22800188 LQCZNTDHMRIVKL-QFIPXVFZSA-N 438.575 5.513 0 40 IKAB COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2)cc1 23055074 VXNCHDFMZKBZDI-UHFFFAOYSA-N 434.517 5.054 0 40 IKAB Cc1cccnc1N(Cc1cccs1)C(=O)c1oc2ccc(Br)cc2c1C 27992098 OAXLDSXEQGBRQT-UHFFFAOYSA-N 441.350 6.116 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 32116722 QVASYWYAMYIULR-UHFFFAOYSA-N 439.265 5.224 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126259 IZLFIZMAFWVLTE-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1OCc1nc(-c2ccccc2)no1 32578738 UJEHGUJZPQXMIP-UHFFFAOYSA-N 439.393 5.587 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@H]21 34138822 ZDVSAQCEHFPQNZ-KOSHJBKYSA-N 436.533 5.406 0 40 IKAB O=C(Cc1ccc(NC(=O)Nc2cccc(C(F)(F)F)c2)cc1)NCc1cccs1 38489908 FJACYQOQLYMEDW-UHFFFAOYSA-N 433.455 5.270 0 40 IKAB COc1ccc(-c2csc(-n3c(NC(=O)c4c(F)cccc4Cl)cnc3C)n2)cc1 41124358 GYDVIWYHYCLDKL-UHFFFAOYSA-N 442.903 5.358 0 40 IKAB COc1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c(OC)cc1Cl 44904544 XUBNHEXULIHZJE-UHFFFAOYSA-N 443.952 5.781 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc(Cl)c1 57316244 OSNQNWWUXLUBLG-UHFFFAOYSA-N 449.757 5.167 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317061 JFXJFESTFRHHIB-MRXNPFEDSA-N 442.353 5.918 0 40 IKAB C[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 58978808 OOFRZEQVLMDJFL-IBGZPJMESA-N 434.561 5.027 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n3c(C(C)C)nnc23)c(Cl)c1 64949267 AATYKMQTQJFKJR-UHFFFAOYSA-N 425.945 5.094 0 40 IKAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(F)cc1 100845804 UJYLROGBOCGOJA-QKBNKGEKSA-N 425.547 6.868 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1cccc(Cl)c1 107016485 LJKZLWYLFYSSSP-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 218838377 QHUCIMTZUYVBFM-UHFFFAOYSA-N 434.330 5.040 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 222605738 MCODFFANQSAFPS-RXYZOABWSA-N 438.021 6.476 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222618214 UMQBBDLNTLCCAZ-CUNXSJBXSA-N 444.619 5.537 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl 222934467 DAFIHYSMFLDSDV-VXKWHMMOSA-N 425.001 5.463 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223268985 LDZQUHPQCVVJPY-NRFANRHFSA-N 432.967 5.052 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 223550613 GIPIRUCKRXRUIY-QFIPXVFZSA-N 444.641 5.140 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccc(C)cc1 223978205 PTEGXZIBPJMSCM-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224540146 LXICBYHNKDSRSZ-INIZCTEOSA-N 444.553 5.054 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225173128 DEFVYEZCXOBNCD-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 225526359 XVRNZAHNSQERIO-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@H](c4ccc(Cc5ccccc5)cn4)C3)ccc21 257318283 VNFWJYWVGZSEQD-VWLOTQADSA-N 425.576 5.075 0 40 IKAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408575311 UEMWQRJVPGEPHB-FYWRMAATSA-N 433.533 5.212 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)c1 408621195 OPHMIZAMWFSZQM-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccc(C)cc2)cc1 409103771 YMQZZURKHSIAJV-UHFFFAOYSA-N 429.589 5.900 0 40 IKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(OC)cc3)c(=O)c2c1C 409120327 WITAIARFPCKICX-UHFFFAOYSA-N 436.602 6.009 0 40 IKAB Cc1nc([C@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 585260850 XCGGNQGBECOWIH-VWLOTQADSA-N 440.584 5.086 0 40 IKAB CC1(C)CC(=O)c2c(O)c(-c3ccccc3)c(=O)n(-c3ccc(Br)cc3)c2C1 707760 SYWWEMQNAXCQME-UHFFFAOYSA-N 438.321 5.128 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc2nc(-c3cccc(F)c3)oc2c1 722849 VFZPESSYAMXOLE-UHFFFAOYSA-N 441.256 5.657 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 863706 XQXWQLBFCZCOMN-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCCc3ccccc3)C3CCCC3)cc12 878658 KCHOLFNMTFUQRK-UHFFFAOYSA-N 433.621 5.007 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccccc1OC 1302339 JMGQBFSWTHWOHX-HNNXBMFYSA-N 425.506 5.006 0 40 IKAB Cc1cc(C)cc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 1339016 OGVNZOFNAYNXOJ-XMMPIXPASA-N 447.604 5.597 0 40 IKAB Cc1ccc(-n2c3c(cc(C(=O)Nc4ccc(Cl)c(Cl)c4)c2=O)C(=O)CCC3)cc1 1423507 MIBCXJPDCFTCCV-UHFFFAOYSA-N 441.314 5.224 0 40 IKAB c1ccc2sc(SCc3ccc(CSc4nc5ccccc5s4)cc3)nc2c1 1750514 NXJDRCDNTIWJHI-UHFFFAOYSA-N 436.652 7.491 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cn1cnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1787530 ODEKBTVVTZFFPT-AWEZNQCLSA-N 444.000 5.210 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 1856768 NCEBBRGOVVQXGU-UHFFFAOYSA-N 446.641 6.410 0 40 IKAB CC(C)(C)c1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1867890 LVRHPPQKNUDMGT-UHFFFAOYSA-N 446.978 6.484 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4cccc(C(F)(F)F)c4)ccc23)cc1 1902808 IDLKXCQDOBYZKT-UHFFFAOYSA-N 440.417 6.375 0 40 IKAB biogenic CCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OC 1904271 QUYHZJCQJUJBST-VZUCSPMQSA-N 428.941 5.913 0 40 IKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2 2083734 CIQYWLBKGQGPOJ-CQSZACIVSA-N 435.973 5.562 0 40 IKAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)cc1OC 2275116 XTUAQMYHMGMBNA-NRFANRHFSA-N 439.309 5.237 0 40 IKAB COc1ccccc1-n1c(SC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2353966 ZBRSKOLVYBJGDK-UHFFFAOYSA-N 432.589 5.777 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 2454113 GDPNHGGUVNRYAM-UHFFFAOYSA-N 434.008 7.178 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 3065081 XEJUWOWOZCKXHQ-AVRWGWEMSA-N 432.495 5.124 0 40 IKAB CC(=O)c1c(-c2ccc(Br)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3066902 MZMXQSNKKNUMRS-UHFFFAOYSA-N 433.349 6.376 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1c(Cl)cccc1Cl 3134814 DJVFQERCXWWLSJ-UHFFFAOYSA-N 447.170 7.193 0 40 IKAB O=S(c1c(O)c(Cl)cc(Cl)c1Cl)c1c(O)c(Cl)cc(Cl)c1Cl 3151757 XMYSXJISVPBBOT-UHFFFAOYSA-N 440.946 6.185 0 40 IKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 3239070 VYXOEDBGANAQRW-UHFFFAOYSA-N 441.525 5.678 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 3312595 KJRALGUKNYOMKF-UHFFFAOYSA-N 449.934 5.491 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 3435326 QBJAKUUQBCOYJC-LAUBAEHRSA-N 447.633 6.507 0 40 IKAB CCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1 3655558 ZYPRYLVVJMUXTQ-UHFFFAOYSA-N 429.472 5.714 0 40 IKAB CCOC(=O)C[C@@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(C)cc1 4594072 DOZVQZHLRRZJCT-HSZRJFAPSA-N 429.582 5.016 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 5231404 JFSHUTJDVKUMTJ-PWUGVIHPSA-N 426.729 8.169 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(F)cc3)cs2)cc1 6075336 OQUSGHBNBAFAMN-NRFANRHFSA-N 438.568 6.073 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 6860456 HFAFJYIDJIOEJC-UHFFFAOYSA-N 448.636 5.976 0 40 IKAB CCN(CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(Cl)cc1 8603357 BEHRYSUQMOVSKT-IBGZPJMESA-N 430.423 6.778 0 40 IKAB Cc1ccccc1C(=O)Oc1cc(-c2ccc3c(c2)OCO3)cc(=O)c2c(C)oc(C)c12 8612504 VQKIKFMIWJPESA-UHFFFAOYSA-N 428.440 5.333 0 40 IKAB O=C(c1ccccc1)[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 8750905 DNLGEAHCXNYORJ-QHCPKHFHSA-N 431.586 5.982 0 40 IKAB COc1ccc(-c2cc(NC(=O)CSc3ccc(NC(C)=O)cc3)ccc2OC)cc1 8751506 VXVGPRHKJKLHQO-UHFFFAOYSA-N 436.533 5.060 0 40 IKAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 8753000 MLWWDAIPUXPTDD-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB CSc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 8783298 CREGVZDDKSROLD-XMMPIXPASA-N 438.036 7.786 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3C)oc3c(sc4ccccc43)c2=O)cc1 8836303 FQODLFPOSYFJIM-UHFFFAOYSA-N 441.508 6.244 0 40 IKAB CC(C)c1ccc2c(c1)OCCOCCOc1cccc(C(C)C)c1OCCOCCO2 8892816 LBDICRILYIRVQH-UHFFFAOYSA-N 444.568 5.196 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(C)ccc(Cl)c3s2)cc(OCC)c1OCC 8956142 BSANCCYXTRJODI-UHFFFAOYSA-N 434.945 5.707 0 40 IKAB CN(CC(=O)Nc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)c(Cl)c1 9051161 LXDKIWNUSMRYNI-UHFFFAOYSA-N 426.653 5.131 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1OCC 9195015 IRGRPGQLUQJKON-INIZCTEOSA-N 439.512 5.063 0 40 IKAB Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)N4CCCCCC4)CC3)c12 9414579 ZCALKQNOJDFQMP-UHFFFAOYSA-N 434.609 5.286 0 40 IKAB COc1cccc(-n2nc(C)c(CCC(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2C)c1 9448606 ASCBUYBNWSKAKY-OAHLLOKOSA-N 445.485 5.327 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC 9506741 GJBDSFMJOLYIQI-BBRMVZONSA-N 443.638 5.728 0 40 IKAB Cc1ccc(C)c(-n2c(SC/C=C/c3ccccc3)nc3c([nH]c4ccccc43)c2=O)c1 9518306 NJIMMVUQRIDGFW-DHZHZOJOSA-N 437.568 6.289 0 40 IKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccccc4OC(F)F)sc32)cc1 9584041 YOALJVCWGVPYKH-UHFFFAOYSA-N 427.476 5.617 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 9600916 GJAOEHUVPAJIOT-IKVMQTKTSA-N 446.591 5.106 0 40 IKAB Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3F)c2=O)CCCCC4)cc1C 9615453 ARQITOGRVNPQJO-UHFFFAOYSA-N 448.563 5.287 0 40 IKAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 9665753 JCXUYXNRSYZDLT-UHFFFAOYSA-N 435.380 5.317 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)N4CCCCC4)n2)Cc2ccccc2O3)cc1 9859699 UVKCJPCYUSCDBT-UHFFFAOYSA-N 431.561 5.253 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2C)cc1 10315111 KWUSFCHOTMSQKZ-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 10339154 UWVPQLILKPCVGL-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 10446263 ZBDVSQOGHNBGPC-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12195914 OMRRETJWKNWXNK-LADGPHEKSA-N 440.877 6.259 0 40 IKAB O=C(c1ccncc1)c1ccc(NC(=O)c2ccc(C34CC5CC(CC(C5)C3)C4)o2)cc1 12429067 BYRHOWPVONQIFU-UHFFFAOYSA-N 426.516 5.626 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)c(C)c1 12577767 UOECYLWZGJGINW-UHFFFAOYSA-N 431.517 5.013 0 40 IKAB FC(F)n1c(CSc2nnc(-c3cccnc3)n2Cc2ccco2)nc2ccccc21 12735072 IXCJUVRQHOXWIQ-UHFFFAOYSA-N 438.463 5.019 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 13063070 NNHXJRBLUOTSAV-OAQYLSRUSA-N 425.532 5.334 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 13121313 ZXUZWQPNUSLRMY-GFCCVEGCSA-N 444.969 5.311 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1cc(Cl)ccc1Oc1ccccc1 13717029 KGMKCIDVLJJSGK-UHFFFAOYSA-N 427.931 7.293 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1c1ccccc1 13942377 HCRVNLGCAGIHPX-MHZLTWQESA-N 434.926 7.238 0 40 IKAB COc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(OC)c(Cl)c3)cc2)cc1Cl 14009063 HNLJDYKAHIIFDA-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 14270636 WOVKXKYWWFYSME-UHFFFAOYSA-N 445.544 5.088 0 40 IKAB COc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nc2c1 14272407 XZWSIYHOABIEII-UHFFFAOYSA-N 446.356 5.321 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 14272960 HQWLGPKVFFMNII-UHFFFAOYSA-N 441.163 5.815 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 14411654 MTEGSNOQIJEAME-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 16733609 LFEBJETXWVGQNQ-GWCFXTLKSA-N 448.828 6.014 0 40 IKAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19630877 SGQWGLQKUIUMSE-CSKARUKUSA-N 439.949 5.736 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 19641015 XYSPLJGGRCEPFA-UHFFFAOYSA-N 444.531 6.551 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)C2CCCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19764843 JBRQVIGIGPARER-NRFANRHFSA-N 440.975 5.325 0 40 IKAB C[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 20045373 KREODROSEFSISG-OAQYLSRUSA-N 426.604 6.428 0 40 IKAB CCOC(=O)c1ccc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20169006 GJJHSDBCUPGNNE-NRFANRHFSA-N 433.895 5.768 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)CN2CCN(Cc3ccccc3)CC2)c2ccccc21 22038465 ZTAWBFGTSYOYIW-UHFFFAOYSA-N 437.587 5.329 0 40 IKAB Cc1ccc(S[C@H](CS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 22134006 AEEPZVPSSWAKTD-HXUWFJFHSA-N 437.413 6.609 0 40 IKAB CCn1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236811 QWNZWNUBIMVDNM-UHFFFAOYSA-N 428.332 5.311 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1 22576853 YCBDVYHRQAEFJX-UHFFFAOYSA-N 434.914 5.234 0 40 IKAB Cc1cccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1C 26770828 CODHVVDXVUPHND-AREMUKBSSA-N 440.612 7.436 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1Cc1ccco1 32741813 DRRSZVNLMCAMMF-UHFFFAOYSA-N 443.532 5.107 0 40 IKAB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2o1 32743599 TZWKGSKBYGPWKF-UKTHLTGXSA-N 428.275 5.644 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cccc(C)c2C)cc1 33825306 DADXQBALNZZAKA-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(C)cc1 34703726 NSTGXQPWIUTVGI-UHFFFAOYSA-N 434.399 5.507 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@@]21C 36371659 WOECLDQDCSEWTG-GHULRNIJSA-N 428.661 6.344 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1 45932844 DSCMJBNBAHYMHK-UHFFFAOYSA-N 434.605 5.926 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)cc(OC)c1 49005109 PCDBKMOOALSZKJ-GOSISDBHSA-N 434.540 5.104 0 40 IKAB COc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 49421817 AEIXCAWVFCTJGO-UHFFFAOYSA-N 446.551 5.101 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)o2)c1 59179589 DKCDJAOMZUQBPJ-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C/[N+](=O)[O-])c3C)sc3c2CCCC3)cc1 59247924 PQNYAGCXAWLAHN-OUKQBFOZSA-N 435.549 5.843 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 59477559 ZABSZDXNIGKFSE-NTCAYCPXSA-N 440.886 7.060 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)C)cc2)cc1 59498061 BCSAKRZDAVUEEM-HHHXNRCGSA-N 428.576 7.150 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2c(C)cccc2-c2nc3ccc(F)cc3n2C(C)C)cn1 95468158 LUONYHLRUAPATO-JLHYYAGUSA-N 428.511 6.087 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102722582 MQGPCBFYKQYAIN-RXFWQSSRSA-N 448.526 5.889 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Br)cc4[C@H]3C2)o1 102725415 BYLQPDGGNYPKOA-NQIIRXRSSA-N 445.263 5.871 0 40 IKAB CCOc1ccccc1-c1cc(-c2cc(CC(=O)O)ccc2OC)nn1Cc1ccccc1 103298763 ORBRIGLCZFKOGF-UHFFFAOYSA-N 442.515 5.300 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 106718838 RTRAXVQACKDAIQ-HAHDFKILSA-N 433.529 5.874 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223047734 OZBKTVHCNRMCPC-NRFANRHFSA-N 426.626 5.119 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223348092 NYSTVUSQGFIGTP-DEOSSOPVSA-N 434.967 5.382 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1cccnc1 223473854 BKDPVDVHSIUSTJ-DHIUTWEWSA-N 444.585 5.394 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223936390 NPKAAUZJHINOFQ-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224273742 HFPYRDPOSSZLOT-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(C(C)(C)C)cc1 224520910 OIJMJJYINQOSKF-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 224773840 PAURLWMUPVMVOW-LJQANCHMSA-N 447.044 5.464 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)ccc1F 224905554 HHHWDTZOQYTANR-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 225287426 GIPAYBKQRUDDIO-SANMLTNESA-N 444.600 5.212 0 40 IKAB S=C(NCCSc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 225288011 CANQEELJOPBOAC-UHFFFAOYSA-N 445.078 6.711 0 40 IKAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375269 SQTNCTXVLNAHND-DQEYMECFSA-N 446.620 5.963 0 40 IKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225801561 BCEWFUHDQWHSSR-UHFFFAOYSA-N 449.869 5.331 0 40 IKAB CCc1cc(Br)cc(C)c1NC(=O)c1cnc(-c2ccc(OC)cc2)nc1C 226096090 MCQZDJVZHZOGTD-UHFFFAOYSA-N 440.341 5.346 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2ccc(Cc3ccc(Cl)cc3)cn2)cc1 257321547 WCCXWTPLUXLGOX-RUZDIDTESA-N 448.994 5.976 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1 408573744 KFXSZSPWPKGTTK-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB CCCc1nc(S/C(=C\c2c(-c3ccccc3)[nH]c3c(OC)cccc23)C(=O)O)n[nH]1 408631588 KMLGAESAMTYYDE-AQTBWJFISA-N 434.521 5.132 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(Cl)c2C)c1 408696163 XAMVMLVISHYRGG-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(Cl)cc1Cl 408821546 ISSGPCCAYDHXIK-UHFFFAOYSA-N 442.165 6.440 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 408869007 OSFYNUGHXSQNBD-UHFFFAOYSA-N 448.994 6.056 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409160484 YUABMCZBYHEVES-IZQLPPHKSA-N 438.549 5.156 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)cc1C 409169250 PADVWNDALBASEI-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CCCC5)sc4C)ccc32)c1 1354701 TWOBJWCIGXBANA-UHFFFAOYSA-N 445.588 5.759 0 40 IKAB Cc1sc(NC(=O)Cc2cccs2)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 1366385 OTWPGUSJHLZYQX-CYBMUJFWSA-N 437.590 5.049 0 40 IKAB CCOC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@H](C)C2 1809170 GIOHTOFQRCCLGP-WIOAZZGGSA-N 448.382 5.424 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1cccc(F)c1 2223856 MCIHRJKWZMHCDL-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1OCc1ccccc1Cl 2264754 LHKXASYCKCGUHK-UHFFFAOYSA-N 443.355 5.624 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCCOc2ccccc2)s1 2347758 SFPYPBRPXVIXPB-UHFFFAOYSA-N 441.365 5.660 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)OC[C@@H](C)CC)c3nc4ccccc4nc32)cc1 2399347 CALXKNREIZSSIK-KRWDZBQOSA-N 430.552 5.701 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2Cl)cc1 2399518 PKROHIDRSCZJDZ-RBTNQOKQSA-N 442.323 6.003 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2415267 SQVGCLCLVQPDHB-UHFFFAOYSA-N 426.520 5.414 0 40 IKAB COc1ccc(-c2c(-c3cc(O)cc(O)c3)c(=O)oc3c(Cl)cc(Cl)cc23)cc1 2573870 ZLSOMSXALVEBRU-UHFFFAOYSA-N 429.255 5.854 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 2619400 HPOBTHBBVCMMJU-NRFANRHFSA-N 444.840 6.041 0 40 IKAB CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccc(Cl)c(Cl)c1 2622541 VDKBSJNZXDCJJU-FQEVSTJZSA-N 448.419 5.572 0 40 IKAB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@H]2c2ccccc2)cc1C 2724417 CFFZQEVXAVDOSD-HSZRJFAPSA-N 449.348 5.250 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 2737229 ZUZBRSHBRVJLAO-UONOGXRCSA-N 435.973 5.417 0 40 IKAB COc1ccccc1Oc1ccc(S(=O)(=O)N(CC(F)(F)F)c2ccccc2)cc1 2890649 CUBJGOLEVCWCRQ-UHFFFAOYSA-N 437.439 5.245 0 40 IKAB O=P1(Nc2cccc(C(F)(F)F)c2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212493 JSKUNOVYMURGST-UHFFFAOYSA-N 427.362 7.423 0 40 IKAB Oc1nc2sc3c(c2c2nc(-c4cc(-c5ccccc5)nc5ccccc45)nn12)CCCC3 3257351 VZMHGZFOXFQOND-UHFFFAOYSA-N 449.539 5.806 0 40 IKAB CC(C)Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccccc1F 3355331 XYPIHGBDNAAZPO-NRFANRHFSA-N 438.572 5.026 0 40 IKAB C[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655465 IBQDJDWOBUPHIO-AWEZNQCLSA-N 437.854 5.862 0 40 IKAB CCCNc1nc(F)c(F)c(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1F 3771012 RBCSQEVRBOFGHH-UHFFFAOYSA-N 426.548 6.773 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@]1(CCOC(C)(C)OC1)O2 4073269 JPCPUGHXRFGTIL-YURJADMSSA-N 436.633 5.451 0 40 IKAB biogenic Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)Cc3ccccc3)n2)cc1 4723820 HUHBWKDNEXDRRC-UHFFFAOYSA-N 425.536 5.002 0 40 IKAB O=C(CCC(=O)c1ccc(-c2ccccc2)cc1)NC1CCN(Cc2ccccc2)CC1 8325488 HPLCFLMYGPGPNB-UHFFFAOYSA-N 426.560 5.097 0 40 IKAB C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NCC1CCCCC1 8705438 XYGPJSNWGMTVBN-GFCCVEGCSA-N 436.002 5.782 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 8831753 PJJBXAQXINWYFK-UHFFFAOYSA-N 446.016 5.492 0 40 IKAB O=C(COc1cccc(Cl)c1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8915452 AVIZHFHUSDWPGB-GOSISDBHSA-N 428.743 5.233 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(Oc2ccc(Cl)cc2)cc1 8959165 KPJHWNBZXFQWKT-UHFFFAOYSA-N 435.951 7.198 0 40 IKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(F)cc2)cc1O 9409756 GMJJYHDKRJJYHY-UHFFFAOYSA-N 432.451 5.758 0 40 IKAB biogenic CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 9411317 RPTDIMKJZOPARV-NRFANRHFSA-N 427.495 5.032 0 40 IKAB COc1cccc(-c2cc(OC(=O)COc3c(C)cccc3C)cc3sc(=O)oc23)c1 9430783 WFYDQTPQBQMVSX-UHFFFAOYSA-N 436.485 5.131 0 40 IKAB CCc1ccc(-n2c(SCc3nnc(-c4cccs4)o3)nc3ccccc3c2=O)cc1 9585520 VDWJWZFXDLNFIG-UHFFFAOYSA-N 446.557 5.352 0 40 IKAB O=C(CNc1ccccc1N1CCCC1=O)Nc1ccccc1SCc1ccccc1 9616658 FFXUPLQHESMAQZ-UHFFFAOYSA-N 431.561 5.156 0 40 IKAB Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4Cl)c3c2c1 9676000 MKGKWMQLSWLXSI-UHFFFAOYSA-N 426.253 6.826 0 40 IKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC(c2nc3ccccc3s2)CC1 9817688 YEWYVEKZWZMNQF-AATRIKPKSA-N 440.952 5.140 0 40 IKAB CCN(CCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1cccc(C)c1 9831065 RQQDCVTXBGAWDF-UHFFFAOYSA-N 436.563 5.581 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(C)cc(C)cc3Cl)o2)cc1 10045163 HWLDZGOGGOEPNP-UHFFFAOYSA-N 426.900 5.035 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10325372 XXCBLVUNHGJAAG-HNNXBMFYSA-N 440.952 5.041 0 40 IKAB CCO[C@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1OC 12411224 LRPOESZCGZJVOM-HSZRJFAPSA-N 446.572 6.300 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nc(-c4ccccc4)n[nH]3)n2)cc1 12616545 TZAMQGGIFSSCAA-AWEZNQCLSA-N 435.578 5.277 0 40 IKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)cc1 12743310 OFPISMYVLILJSJ-QHCPKHFHSA-N 444.579 5.411 0 40 IKAB C[C@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)c1ccc(OC(F)F)cc1 13100785 RQMJWAIJTWHGEA-AWEZNQCLSA-N 429.444 5.262 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@@H]3c2ccccc2)cc1 13592115 PVZCLABLYJNPSD-RBBKRZOGSA-N 429.734 6.889 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N[C@H]1CCCc2ccccc21 13654547 NMXYXMXYUDQVBS-DEOSSOPVSA-N 425.484 5.033 0 40 IKAB biogenic O=C(C[C@H](c1ccccc1)N(O)[C@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 16477331 DYHLOJFRBWLQOT-VSGBNLITSA-N 449.550 6.706 0 40 IKAB CCCNC(=O)[C@@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1C 16731673 XSVVCLSRFOOMES-QGZVFWFLSA-N 445.592 5.013 0 40 IKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2cc(C)ccc2C)c1-c1ccc(OC)cc1 17095033 SOKPATMZXLLXKF-UHFFFAOYSA-N 426.560 6.462 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 18085239 CZUDJILWSYVQCR-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 19082037 ZMJZIXQAQHAMPH-SANMLTNESA-N 449.639 5.519 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3nccc4ccccc34)no2)cc1 19558049 KDRTYDRPDMTIOA-HSZRJFAPSA-N 427.504 5.656 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(F)c1 19635036 PIFYSINFMUONOH-UHFFFAOYSA-N 441.940 5.883 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19690670 KSCVWFOZTSUESF-SANMLTNESA-N 430.548 5.579 0 40 IKAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(Cc3cccc(C)c3)c3nc4ccccc4n32)cc1 21005934 UQLWOPHKXPFBCE-DEOSSOPVSA-N 438.531 5.024 0 40 IKAB Cc1nc(COc2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)cc2)cs1 24466397 ZVTGHTXDKQCEPM-UHFFFAOYSA-N 440.615 5.996 0 40 IKAB O=C(c1csc(-c2cccs2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 26768760 XFQSBAXQUOILIT-CYBMUJFWSA-N 427.576 5.307 0 40 IKAB COc1ccc(-c2noc(-c3sc(NC(=O)c4ccc(Cl)cc4)nc3C)n2)cc1 31815423 TXIHPTNMMHPWSA-UHFFFAOYSA-N 426.885 5.083 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38835513 GFVODJAQSLQWHM-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4cccc(C)c4)CC3)ccc21 39751658 VPNLPJMRTZYPCR-UHFFFAOYSA-N 425.576 5.974 0 40 IKAB Cc1cc(C)nc(SCC(=O)Nc2ccc(-c3nc4ccccc4n3C(F)F)cc2)n1 40042675 LYPRNHOOSIHOAH-UHFFFAOYSA-N 439.491 5.236 0 40 IKAB CCOc1c(Cl)cc(/C=C/C(=O)Nc2ccc(Sc3nncs3)cc2)cc1OC 40150913 LUMDCZGJVZGHDT-RUDMXATFSA-N 447.969 5.402 0 40 IKAB COc1cc(OC)c(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)cc1Cl 64471993 XCJSIUQAMSKAPR-UHFFFAOYSA-N 446.334 5.538 0 40 IKAB Cc1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1I 65503820 UMIQSVWVJXUAHK-UHFFFAOYSA-N 437.346 5.887 0 40 IKAB O=C1C[C@@H](C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)c2ccc(F)cc2N1 72277537 NGQRYBJNYQCXHO-LJQANCHMSA-N 444.441 5.321 0 40 IKAB COc1ccc2c(CN3CC[C@@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)cn(C)c2c1 72352285 STFOPRNKEOINDS-QGZVFWFLSA-N 447.604 5.093 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@@H]2Cc2c(C(N)=O)sc3ccccc23)ccc1F 72370317 GUWZDQRJXRSFEM-GOSISDBHSA-N 438.568 5.004 0 40 IKAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)C(c1ccc(F)cc1)c1ccc(F)cc1 95349210 IPWVLQBGBOQHJP-UHFFFAOYSA-N 426.406 5.688 0 40 IKAB Cc1noc(C)c1C12C[C@H]3C[C@@H](CC(Cc4nc5c6c(C)c(C)sc6ncn5n4)(C3)C1)C2 103152558 ZGEUKQJBADTMCH-RIZNVZOMSA-N 447.608 5.641 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223223069 NWMPUQCNUHNZAK-NRFANRHFSA-N 449.422 5.566 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C 223470874 KZZCTQOJQMHRCB-IBGZPJMESA-N 443.429 5.464 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223656419 VRDXLYCGIBJZMH-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224357657 JIXIAITVHOHREE-JWQCQUIFSA-N 439.588 5.568 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cc(C)cc(C)c1 224533319 AIMHPIDREYSLAX-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3OC)c2)cc1 224579119 DWDYQLQCIAEGSU-UHFFFAOYSA-N 449.503 5.102 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC2CCCCC2)cc1 225061960 VELHKOKBZHXAHJ-HHHXNRCGSA-N 448.651 5.746 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225198120 RQAYHWXNSCHWGO-OALUTQOASA-N 447.044 5.295 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OC)cc1Cl 225616896 KYUNCRAATCPQJY-UHFFFAOYSA-N 428.013 5.950 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 225627847 MTAPGXMGNBLABU-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 225631272 XDNOQNXPFIZAMY-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c1 257225500 FGNAMSKUYDUBAN-UHFFFAOYSA-N 430.479 5.371 0 40 IKAB COc1ccc(-c2nccc([C@H]3CCCN3Cc3cccc(Oc4ncccn4)c3)n2)cc1 257314879 UYXZXVQCZDWZTE-XMMPIXPASA-N 439.519 5.072 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)c1 257339726 ZCXUSPRJRCYRRN-QHCPKHFHSA-N 448.994 5.673 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408571917 DHDJZRMEFNBSCY-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 408599937 PAIYSUVVNPLIOI-VXLYETTFSA-N 436.360 6.265 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(Cl)ccc2C)cc1 408699070 RHJLNXKBSKVQRF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 408771690 ATNJLFZVFSUQMF-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB CC(C)Oc1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409148836 SMPVAIVDGIHPCE-WOJGMQOQSA-N 438.387 5.853 0 40 IKAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 409174377 RQDRJPAQOPUSIK-CXUHLZMHSA-N 425.699 5.138 0 40 IKAB CCn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(F)cc1 409334445 XXCDZUPQZSURKC-UHFFFAOYSA-N 439.343 5.217 0 40 IKAB O=C(Nc1ccc(F)cc1)C1CCN(C(=O)CSc2ccc3c4c(cccc24)CC3)CC1 586808366 HQMBRUILLNNGDZ-UHFFFAOYSA-N 448.563 5.047 0 40 IKAB CCCCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2 643580575 OSUPCJAFQPAYDC-UHFFFAOYSA-N 434.624 5.582 0 40 IKAB Cc1ccc2oc(-c3ccc(C(=O)Nc4ccc(NC(=O)C(C)(C)C)cc4)cc3)nc2c1 857595 JGXDHQZWUZQJIC-UHFFFAOYSA-N 427.504 6.040 0 40 IKAB Cc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 1371658 KCTYANUNENYCIU-UHFFFAOYSA-N 431.580 5.498 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccccc4)cs3)n2)c(OC)c1 1413622 NTWKCBAKUXXTIV-UHFFFAOYSA-N 431.439 5.699 0 40 IKAB Clc1ccc(-n2ncc3c(N(Cc4ccccc4)Cc4ccccc4)ncnc32)cc1 1818463 PEQBKTBMLIKEPK-UHFFFAOYSA-N 425.923 5.676 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 1841663 FTBJBLFRPCCEJP-BIIKFXOESA-N 448.733 7.100 0 40 IKAB c1ccc(-c2nc(Sc3nc(-c4ccccc4)nc4ccccc34)c3ccccc3n2)cc1 2052229 SOSBRTTVDIVMJF-UHFFFAOYSA-N 442.547 7.058 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c(C)c1 2074108 DXWVZBVCUNJSNS-UHFFFAOYSA-N 447.991 6.606 0 40 IKAB CCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 2138130 MJLBZDDHZPUNCU-ZCUZSRHZSA-N 434.580 5.210 0 40 IKAB biogenic CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 2301262 AWURMEYGGDYWCA-UHFFFAOYSA-N 432.614 6.413 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ncccn1 2401681 GQHOXCVYFSMMBS-HSZRJFAPSA-N 447.450 5.125 0 40 IKAB COc1ccc2cc(-c3cc(C(=O)OCC(=O)NC(C)(C)C)c4ccccc4n3)ccc2c1 2630574 XWLFDCRGUPEMTK-UHFFFAOYSA-N 442.515 5.135 0 40 IKAB CCN(CC)CCNC(=O)c1ccc(NC(=O)c2sc3cc(F)ccc3c2Cl)cc1 3210263 UVJXMPISKGTXGL-UHFFFAOYSA-N 447.963 5.018 0 40 IKAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc(F)cc1 3220283 XVDBJMLBXUNMPI-GOSISDBHSA-N 431.813 5.361 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3319249 MPQAHLMNXVVLSI-UHFFFAOYSA-N 428.743 5.631 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C(C)C)cc3)N2C1=O 3636796 QRGHJGZLQRGBAF-JTHBVZDNSA-N 448.588 5.592 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 5398358 BZADVIVGQHZKBG-RUHNTQCHSA-N 448.925 5.071 0 40 IKAB biogenic,in-vitro C[C@H](NCc1c(OCc2ccccc2)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 5662442 GCRHWPGUIYJISV-BPOJBYEUSA-N 425.616 7.113 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCCC3)cc12 6321723 AXXKGZVDDLZUGS-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(Cn2nnc3ccccc32)cc1 8164391 BGWOBXSELQLLEN-UHFFFAOYSA-N 425.536 5.112 0 40 IKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3cc(Br)ccc3c2C)cc1 8612088 ZHOYRBPXSDHRAO-UHFFFAOYSA-N 438.321 6.248 0 40 IKAB aggregator COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc23)c1 8722275 JSLCYGKPOUYYCU-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 8816574 CNVYHWYQZCUBMC-HNNXBMFYSA-N 446.041 6.425 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)c2ccccc2n1-c1ncc(C(F)(F)F)cc1Cl 8857094 BNDGBGFDGOOHAU-UHFFFAOYSA-N 444.840 6.541 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(O)ccc2Br)N3)C1 8919488 FKNKZPSWMNBJEP-BBATYDOGSA-N 449.414 6.186 0 40 IKAB C[C@H]1c2cc3c(cc2CCN1C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)OCCCO3 9128782 NPPGSPFNOVZZNR-UONOGXRCSA-N 436.335 5.068 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c(SCc2ccccc2)nc2ccccc21 9327371 MYFPQEMJWCZPNS-DNVCBOLYSA-N 431.388 6.560 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)o1 9376565 NYLJENJAUVWXPB-UHFFFAOYSA-N 444.488 5.178 0 40 IKAB COc1cc(CN[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1csc(C)n1 9464555 LYAFYQNRRPGASI-QGZVFWFLSA-N 434.565 5.076 0 40 IKAB CC(=O)c1cc2c(cc1NC(=O)c1oc3ccccc3c1COc1ccccc1)OCO2 9665143 FRLMUGRTWGQZPB-UHFFFAOYSA-N 429.428 5.195 0 40 IKAB O=C(COc1ccc(-c2nc3ccccc3s2)cc1)Nc1ccc2c(c1)OCCCO2 9669774 QLBPQQYJPPQRMJ-UHFFFAOYSA-N 432.501 5.142 0 40 IKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675925 SWSIHALXQSBYPX-UHFFFAOYSA-N 427.891 5.974 0 40 IKAB CCN(CC)S(=O)(=O)c1cc(NC(=O)c2sc3ccccc3c2Cl)ccc1C 9714780 SUTLDUAURHISIG-UHFFFAOYSA-N 436.986 5.146 0 40 IKAB OCCCNc1ncnc2c1c(-c1ccccc1)c(-c1ccccc1)n2Cc1ccccc1 9731461 YBMOYBSACHLOLF-UHFFFAOYSA-N 434.543 5.608 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009742 BZPLHUOWVSNWPN-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc2c(c1)OCO2 10038677 BRZHBPWZNSQREY-UHFFFAOYSA-N 434.451 6.143 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)cc1 10315266 XKXAGDCKFDRWBJ-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1SCc1ccccc1 10369789 IFPXANOPLMXSLL-UHFFFAOYSA-N 445.971 7.677 0 40 IKAB Cc1cccc(N2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 11690336 SJLQYDTZFQXYOQ-YBFXNURJSA-N 430.312 6.803 0 40 IKAB Cc1cc(OS(=O)(=O)c2cc(C)c(C)cc2C)n(-c2cc(Cl)ccc2Cl)n1 11691516 FDHGCEXLCWYICO-UHFFFAOYSA-N 425.337 5.180 0 40 IKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1cccc(Oc2ccccc2)c1 11852784 ARGHUASKRXUGBQ-UHFFFAOYSA-N 429.526 6.464 0 40 IKAB COc1ccc(CC/N=c2\ssc3c2-c2cc(C)ccc2NC3(C)C)cc1OC 12462548 MDXZDMQEOBRONC-GYHWCHFESA-N 426.607 5.606 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)s2)cc1 12555335 CQEBRYSXVVSCJB-UHFFFAOYSA-N 441.984 5.051 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4ccncc4)n3-c3ccccc3)cc(=O)oc2c1C 12607624 QFZJIRKQGZZBLK-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB C[C@H](NC(=O)c1cnn(Cc2ccccc2Cl)c1)c1cc(F)c(Cl)cc1Cl 12691529 NFRGXNSTJKBTRP-NSHDSACASA-N 426.706 5.522 0 40 IKAB O=C(c1ccccc1)C1CCN(Cn2nc(-c3cc(Cl)ccc3Cl)[nH]c2=S)CC1 12745040 AXBHWGQIJYNFPO-UHFFFAOYSA-N 447.391 5.467 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1Cl 12859143 KQXKHCVIIMSRHX-JCVNQNCUSA-N 431.363 5.123 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3nccnc3c2)c1 12974500 QNWDUFUJNRWWCG-UHFFFAOYSA-N 436.393 5.153 0 40 IKAB COc1ccc(Cl)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12983501 MAPZOXSTVJCSEW-UHFFFAOYSA-N 433.895 5.338 0 40 IKAB COc1cccc(-c2nc(COC(=O)c3c4c(nc5ccccc35)CCCCC4)cs2)c1 13038879 KNORNRCXJCCUSF-UHFFFAOYSA-N 444.556 5.993 0 40 IKAB COc1cc(CCC(=O)Nc2nc(-c3cc(C)sc3C)cs2)cc(OC)c1OC 14245204 QPUCCAICTGNXJS-UHFFFAOYSA-N 432.567 5.086 0 40 IKAB COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 14846183 VATXFCPKSCSRMV-HZPDHXFCSA-N 427.497 5.144 0 40 IKAB NC(=O)c1ccc(-c2nnc(Nc3cccc(Oc4ccccc4)c3)c3ccccc23)cc1 14944602 VZAFDDFVQTYDFM-UHFFFAOYSA-N 432.483 5.932 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 15317951 JVOICHMSFOUPSH-UHFFFAOYSA-N 432.376 5.189 0 40 IKAB COc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195631 DKGFHAAVKJJVKH-MRXNPFEDSA-N 430.759 5.503 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(Cl)cc1Cl 16429658 BTERCMJDMHYFBC-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB COc1cc2c(cc1OC)CN([C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1)CC2 16554135 QPNINFJSBXCNDN-SANMLTNESA-N 430.548 5.059 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(O[C@H](C)CC)c4)c3)nc2c1 16610887 MOMYWCZATVTTRB-RBUKOAKNSA-N 442.559 7.438 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4C)cc3n2)cc1 17099303 PTKAZOWTHZEIAE-UHFFFAOYSA-N 434.927 5.271 0 40 IKAB O=C(c1ccccc1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19368731 CLSKDOBHOBRXIE-QFIPXVFZSA-N 435.531 5.302 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC(C)C)cc4)ccc3o2)cc1OC 20411953 QIFZIWSLCAMFDJ-UHFFFAOYSA-N 432.476 5.552 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1 21005692 ANTAMWACWZQJIC-DEOSSOPVSA-N 425.488 5.034 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1Cl 28206942 IEZKVPNQGLSJJY-INIZCTEOSA-N 440.952 5.041 0 40 IKAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 30216609 AGMHDYTUOVIEJZ-UHFFFAOYSA-N 435.449 5.547 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O 31903460 STUUNEFCWIDVDE-FQEVSTJZSA-N 435.568 5.020 0 40 IKAB CCN(Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)o1)c1ccc(Cl)cc1 32611973 KLBNNZBUBXVJAH-UHFFFAOYSA-N 444.988 5.283 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1 33262616 FLSNZLYDYKXEKV-UHFFFAOYSA-N 449.601 5.516 0 40 IKAB COc1ccc(/C=C\C(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC 33575875 JATDWXHHFNRLEE-SQFISAMPSA-N 444.556 6.308 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 35550802 GZYVZMWMBUTUMQ-NPNMTCQASA-N 431.356 5.308 0 40 IKAB Fc1ccccc1COc1nc2ccccc2nc1/C=C\c1ccc(Cl)cc1Cl 36092278 AYPJWJLDINPTMW-BENRWUELSA-N 425.290 6.825 0 40 IKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@@H]2OC(C)=O)cc1 36612188 JPPVXERJZNMYHM-IWTFVHFGSA-N 446.587 6.185 0 40 IKAB NC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl 41127451 JTXZRWIPJYQHLW-UHFFFAOYSA-N 441.712 5.606 0 40 IKAB O=C(CSc1ncc(-c2ccc(Br)cc2)n1-c1ccccc1)N1CCCC1 44086120 GUTHJJKQNSMDBJ-UHFFFAOYSA-N 442.382 5.016 0 40 IKAB O=C(CS[C@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3)c1ccccc1 59514332 RLFWLQOOHSVBOQ-DEOSSOPVSA-N 434.586 5.599 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C)c1ccccc1 67217127 BZBYTVPGEKYNGL-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289810 MBJWQJOGGIOSAA-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)ccc1Br 95946039 OTLULFJDZCFFDG-UHFFFAOYSA-N 447.137 5.380 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N3CCO[C@H](c4ccc(C(F)(F)F)cc4)C3)o2)cc1 96008128 GTUDRRUNOQEARX-NRFANRHFSA-N 444.453 5.202 0 40 IKAB Cc1ccc(NC(=O)[C@@]23C(=O)Oc4ccccc4[C@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 100156218 FYMSBJFVTRXSRW-OUIFVKKZSA-N 445.902 5.179 0 40 IKAB Cc1ccc(Nc2cnn(C34C[C@H]5C[C@@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)cc1C 100559706 GEBSQEBQKCCCFD-GAAJCNLQSA-N 441.959 5.027 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c2ccccc21 106738303 MSQKXQMOYCOTDG-ZBKNUEDVSA-N 440.908 5.280 0 40 IKAB COc1ccc([C@H]2NC(SCC(C)C)=NC(C)=C2C(=O)Nc2ccccc2)c(OC)c1 108115059 OPKGRRAKGCGOQU-JOCHJYFZSA-N 439.581 5.006 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914693 PECVQXJSAFWCOS-JMEKJAJLSA-N 446.716 6.822 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(N5CCCC5)=CC[C@]4(C)[C@H]3CC[C@@]21C 118923598 RGRNUVRIJBGXEL-FFXLCFESSA-N 439.772 8.697 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 222596008 ZFHOCEHDHWGQPP-DEOSSOPVSA-N 443.031 5.728 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 223235157 PGZIUTDMBBSQMN-IBGZPJMESA-N 447.044 5.215 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1C(C)C 223349329 AAELNUXKIPWUDA-IBGZPJMESA-N 443.031 5.870 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 223956440 ZACCSXAMYYHPRG-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224182770 BLMOWLUVRGJXJF-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224491267 WINMRFFJKZPAAL-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 224560162 KRBLEPJJJNGGFE-GOSISDBHSA-N 446.528 5.047 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)c(C)c3)c2)cc1 224625731 QQEQIAPZKDUSSN-UHFFFAOYSA-N 431.576 6.876 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cccc2ccccc12 224629954 DOLQARPAMFQGNC-UHFFFAOYSA-N 439.555 6.941 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1cccc2ccccc12 224630015 PJRAKINDTWRDDI-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 224669511 WFKZARALVFLVRE-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)ccc1F 224914898 XTAZVRLRLQCBPK-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC1=C[C@@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2cccc(C)c2[nH]1 225399100 FDVBJSIRMHVKJL-FUDKSRODSA-N 436.644 5.900 0 40 IKAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225526059 XYDOHOAYQSRWSF-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCc2ccc(OC(C)C)cc2)ccc1Cl 225569553 LRPVFTSUXYXVCL-UHFFFAOYSA-N 434.989 5.223 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Br)cc2F)c1 225604126 GKBLKVLXJYLOKF-UHFFFAOYSA-N 427.408 5.507 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 225708718 DJXMKBGRVPHPIQ-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CCCCc1ccc(NC(=O)Cc2ccc(N(C)S(=O)(=O)c3ccccc3)cc2)cc1 225981903 SPFBSGBBHLRBKC-UHFFFAOYSA-N 436.577 5.036 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)c2c(C)noc2n1 257264991 LWVUQLSTCKSVME-LJQANCHMSA-N 436.899 5.049 0 40 IKAB COc1ccc(OC)c(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 257331662 XTTBGRRKZPCORN-IBGZPJMESA-N 434.511 5.233 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(-c5ccc(F)cc5)cc(C)n4)C3)nc2c1 257338818 YZBNQMAUKYRRGV-FQEVSTJZSA-N 428.511 5.172 0 40 IKAB COc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 408574369 MBQKCKWIWJEAEW-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB O=C(Nc1cccc(I)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408625173 XEDNMPAWBMQERW-UHFFFAOYSA-N 441.627 5.596 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408647302 WVQAMCVUBAVCCL-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Br)cc2)N[C@@H]1c1ccccc1 408987163 DVCIGMDEUCOXNG-LJQANCHMSA-N 445.382 5.220 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409087779 JZTYIKVJEDKEEM-UHFFFAOYSA-N 428.989 5.218 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(F)c3C)n2CC)cc1 409161417 UTYZCJMIUZLGQC-MRXNPFEDSA-N 442.560 5.179 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(Cl)c2Cl)cc1 409326475 KOEOLKWPYCLQQC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1cccc(Br)c1 726830 RALINYHPMYDEIL-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CC(=O)c1ccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 728186 DFRSBWPKXICJBC-UHFFFAOYSA-N 432.483 5.518 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3CC)C3CCCC3)cc2c1 894993 MXSXHFYVUUGIPX-UHFFFAOYSA-N 449.620 5.631 0 40 IKAB CC(C)Cc1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 1800327 ZGAIALYLDZFSHL-UHFFFAOYSA-N 449.645 6.582 0 40 IKAB Cc1cc(C)c(C)c(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1820189 GPMHTDIAAZFWNP-UHFFFAOYSA-N 446.978 6.501 0 40 IKAB Cc1cc(C)c(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c(C)c1 2122747 WGIHHRGGQRGSNB-UHFFFAOYSA-N 439.555 6.282 0 40 IKAB biogenic COc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 2224607 PBVFXAPNLWDBMM-QFIPXVFZSA-N 431.875 5.200 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 2257986 SPDSPJFXXCHCNO-RTWAWAEBSA-N 430.558 5.621 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(C(C)C)cc3)n2)cc1Br 2259195 YNADUFQLEPOEBZ-UHFFFAOYSA-N 431.355 5.957 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)Nc3cccc(F)c3)c3nc4ccccc4nc32)cc1C 2290448 PAONLDPATJDSFO-UHFFFAOYSA-N 425.467 5.164 0 40 IKAB CCCC(=O)NC(=S)Nc1cc(-c2nc3cc([C@@H](C)CC)ccc3o2)ccc1Cl 2594743 SPYOLSJEEZDIMQ-ZDUSSCGKSA-N 429.973 6.275 0 40 IKAB O=P(C1=C(N2CCOCC2)/C(=C/c2ccccc2)CC1)(c1ccccc1)c1ccccc1 3185389 WWRVWJSRZZIELC-ZNTNEXAZSA-N 441.511 5.422 0 40 IKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1cc(Cl)c(Cl)cc1Cl 3316868 UEMLFVXUZZMLNL-UHFFFAOYSA-N 449.142 6.310 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccccc1 3321700 AOQGSSALOUHZSK-UHFFFAOYSA-N 446.551 5.480 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Sc3ccc(C)c(C)c3)cc2)cc1 3323310 DOCCWFIKBCOOHT-UHFFFAOYSA-N 426.563 5.214 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864305 NRCBFCANQQRXIB-MSOLQXFVSA-N 443.565 5.347 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 4679014 APRGYLGFEAYDOR-OAQYLSRUSA-N 430.633 6.087 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc2ccccc2c1 8413814 UOLCMJBKMYWZPW-UHFFFAOYSA-N 436.536 6.893 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 8656879 GUSMJHVUBAWQCZ-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1nc2ccc(Br)cc2c(O)c1CN(Cc1ccccc1)Cc1ccccc1 8714079 UCUVLJYGAMKMOG-UHFFFAOYSA-N 447.376 6.214 0 40 IKAB Cc1ccc(Cn2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c3sc4ccccc4c32)cc1 8756932 YNQAMUTYEKTQBN-UHFFFAOYSA-N 430.504 5.171 0 40 IKAB Cc1c(CC(=O)NCCc2ccsc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8876981 WSVFHTYUNNJUMW-UHFFFAOYSA-N 443.524 5.478 0 40 IKAB biogenic COc1ccc(CN(C(=O)CC[C@]2(C(C)C)CCOC(C)(C)C2)C(=O)c2ccco2)cc1 8917831 HFCXICIWIFMKPP-SANMLTNESA-N 441.568 5.469 0 40 IKAB biogenic CC(C)(C)c1ccc(-c2nnc3n2N=C(c2ccccc2Br)CS3)cc1 8968644 TZIANBMWAMNHFE-UHFFFAOYSA-N 427.371 5.363 0 40 IKAB Cc1ccc(SCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)c(C)c1 9213974 CFCDJSLMDSLCDV-UHFFFAOYSA-N 440.590 5.085 0 40 IKAB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1F 9263530 CWQKMEWYJJDYCC-UHFFFAOYSA-N 448.548 5.543 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl 9283489 OXUDHPYPJCMYRZ-HXUWFJFHSA-N 426.973 5.438 0 40 IKAB CCOc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308852 JHYBCWOKHOXHLG-IRLDBZIGSA-N 448.364 6.344 0 40 IKAB O=c1sc2ccccc2n1Cc1nnc(SC2CCCC2)n1-c1cccc(Cl)c1 9382907 JUTFIFCDOTWRNW-UHFFFAOYSA-N 442.997 5.380 0 40 IKAB Cc1cc(C)cc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 9462537 JFBKMWZYQICFLQ-UHFFFAOYSA-N 429.321 6.015 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2C[C@H]2CCCO2)c1 9934855 ZSGOSLWRYWDPHZ-NIYFSFCBSA-N 446.547 5.251 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)Nc3c(C)nn(C)c3C)nc2c1 9952917 JTAQHAMOJQGDER-KRWDZBQOSA-N 446.576 5.380 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 10013886 AFIAVUVVKGGQAO-GDLZYMKVSA-N 430.551 7.216 0 40 IKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(-c2cccs2)n1C 10710535 OYEULSOHYMWZHX-UHFFFAOYSA-N 433.555 5.366 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(CC)ccc2o1 12062514 RDWYQOIGSQRBGG-UHFFFAOYSA-N 447.512 5.513 0 40 IKAB COc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3c2ccc2ccccc32)cc1OC 12486269 VACSKBIZJKPWQY-UHFFFAOYSA-N 441.918 5.944 0 40 IKAB CCc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(N4CCCCCC4)cc3)n2)cc1 12524859 YTVFQJSNZRSLAW-UHFFFAOYSA-N 435.597 5.145 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3nc(-c4ccccn4)cs3)cc2)cc1 12569532 ULDGNHDYQSRSFH-UHFFFAOYSA-N 443.572 6.334 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3cccs3)n2C2CC2)c2ccccc2)cc1 12679041 VSPDKPBJIHIQPQ-NRFANRHFSA-N 446.601 6.122 0 40 IKAB CCc1n[nH]c(Sc2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)n1 12929893 SMSXLYBLDMFXEH-UHFFFAOYSA-N 425.608 5.304 0 40 IKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H]3CCC[C@H](C(F)(F)F)C3)cc2)o1 13000951 NCHYRAUADVKGOS-ROUUACIJSA-N 429.442 5.563 0 40 IKAB CC[C@H](C)c1ccc([C@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 13022392 GKHIMJVZGKSSLM-QYBDOPJKSA-N 445.588 5.267 0 40 IKAB CC(C)c1cc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cncn2)c2ccccc2n1 13101722 SYIALWGUKZUYKJ-UHFFFAOYSA-N 425.414 5.210 0 40 IKAB CCCSc1nsc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)n1 13109961 XLHZODAZCKRDDU-UHFFFAOYSA-N 438.582 5.285 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)c1 13668978 OUMDEFYCZOCLRB-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB Cc1oc2cc3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc2c1-c1ccccc1 13735572 CNMWJHXWZBHWFV-UHFFFAOYSA-N 430.485 5.461 0 40 IKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2ccccc2)cc1 13786433 IEROKQNEZOXHTN-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc(Cl)c1 14270541 WJYOAVACQQTEBG-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 14272114 HPRUYGXTJJLSIM-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccccc1Cl 15274926 SMUAYXWMXJRNLC-UHFFFAOYSA-N 446.919 5.381 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C)cc4)ccc3c2C)cc1OC 15729389 HUSGTIHZOARWSG-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic O=C(N[C@@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl 15940924 KSKWTBIDBIRVHW-APWZRJJASA-N 438.877 5.002 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)c1oc2ccccc2c1CSC1CCCCC1 16044073 SLQKTCCDGUMUFK-UHFFFAOYSA-N 447.522 6.948 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)c1 17097203 BRPCHDSJLMHPJM-UHFFFAOYSA-N 430.744 5.122 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1ccc(OCc2ccccc2)cc1 17097402 JEKHKZLZLWSMDE-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 17097854 GLZYVVSOHNDROB-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(I)cc1F 17099911 IIXNLMUFYHJQIC-QHHAFSJGSA-N 436.051 5.389 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 17120625 ZPHQPRBZUCKIFQ-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB CC(C)c1ccc(CSc2nnc(SCc3cc(-c4ccco4)on3)s2)cc1 19317910 BENPEETZDHDCEW-UHFFFAOYSA-N 429.592 6.494 0 40 IKAB COc1ccccc1CN1CCC[C@](Cc2ccccc2-c2ccccc2OC)(C(=O)O)C1 19570195 WZELOOSITYWRTI-MUUNZHRXSA-N 445.559 5.280 0 40 IKAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc(-c2ccccc2)cc1)CCCN4CCC3 20237366 QWXPXLRFUNBTMR-UHFFFAOYSA-N 435.527 5.530 0 40 IKAB CC(C)C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 20493103 CDBRSASQPQHDCX-HXUWFJFHSA-N 426.354 5.885 0 40 IKAB CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCC[C@H]2c2cccn2C)cs1 25051710 DBQSGZSRVOARCP-FQEVSTJZSA-N 449.407 5.810 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)c3cncc(Br)c3)nc12 25397436 NMKUQRDILSESRA-UHFFFAOYSA-N 438.350 5.609 0 40 IKAB Cc1ccc(-c2c3c4n(c(-c5ccc(C)cc5)nn4c2C(=S)N(C)C)CCCC3)cc1 27027442 FSWVHTKTVYKCOD-UHFFFAOYSA-N 428.605 5.660 0 40 IKAB O=C(Nc1sc(-c2ccccc2)nc1-c1ccccc1)c1ccc(Br)cc1 27991981 MCBHPQXVESFZIZ-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB CC(=O)[C@H](CN(CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841585 WLJJKQXSWXBIGG-ZCYQVOJMSA-N 449.591 5.450 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CSc3nnnn3-c3ccccc3)cc2)cc1Cl 32117968 GQJBTMAZWJMHQW-UHFFFAOYSA-N 435.940 5.169 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1 44086045 VNYOAEGTKLBXIM-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB C=Cc1ccc(CSc2nnc3n(Cc4cccs4)c(=O)c4sccc4n23)cc1 45924520 IABIPPWDWIGQAA-UHFFFAOYSA-N 436.587 5.151 0 40 IKAB CCN(c1ccc2sc(C(=O)NC3CCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 46059050 ADRXBIULVVRBPD-UHFFFAOYSA-N 442.606 5.097 0 40 IKAB Cc1cccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(CC(C)C)cc4)o3)n2)c1 49001752 LLWDDVMEPMNOSA-UHFFFAOYSA-N 436.533 5.477 0 40 IKAB O=C(Nc1cccc2ccccc12)NC1(c2cccc(Br)c2)CCOCC1 57991271 BRWPUZUUNRVFPL-UHFFFAOYSA-N 425.326 5.430 0 40 IKAB COc1ccc(CC[C@H]2CCCCN2C(=O)c2cccc(Br)c2)cc1OC 58264338 ZKVKBTZBVUVRAH-LJQANCHMSA-N 432.358 5.094 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(C(C)(C)C)cc3)C2=O)cc1 102750013 QMPCFFAWGGZZJL-CCDWMCETSA-N 440.543 5.344 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Oc5ccc6oc7c(c6c5)CCCC7)(C4)C2)C3)cc1 102833655 QCESDEANARFCLV-ZLBTVSDASA-N 440.583 7.064 0 40 IKAB C[C@@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 103083286 NQXCIMKMLRBXAC-KCGBVJQISA-N 446.572 5.341 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cccc(C)c2C)cc1 113938055 AHTBCHZVNQADAK-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB COC(=O)CC[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[C@@]21C 123288997 DVIUCIPCTDVQAP-KNKKRCMWSA-N 432.645 6.166 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214442136 LEXDKLPNEXVZHQ-CAOOACKPSA-N 442.751 6.282 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)c1 222677183 YHLNFDWMKDOOSE-NRFANRHFSA-N 440.653 5.177 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223306484 LMDCEDPAFFKSHP-RUZDIDTESA-N 436.640 5.773 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223855954 WHAAOLQCVUPFRC-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccccc1 224163140 GKNABIASVRGWFB-IZZNHLLZSA-N 438.600 5.725 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224166899 JATNRFUVOMLQFW-UHFFFAOYSA-N 433.548 5.510 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1N(C)S(=O)(=O)c1ccccc1 224196271 LOURNEXOVICNND-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)c(C)c1 224204891 VQGJAVFZQBUCSI-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224410376 BWIIXZSNTGBEJG-FGZHOGPDSA-N 449.942 5.237 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(Cl)c(C)c1 224540817 FATPZKJSHIHFHM-UHFFFAOYSA-N 439.939 5.565 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224962485 FJRMOXAFTKOBER-UHFFFAOYSA-N 432.863 5.701 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225012387 OWLBNRJBHXROAS-GOTSBHOMSA-N 435.618 6.049 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225162797 POQCGNKJRAVDOU-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225644151 OZNMMPHZLVNLCT-XMSQKQJNSA-N 430.589 5.030 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC 225765177 IIBCFYLDVAKYHE-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1CCCc1ccccc1 257215604 CQVNGZPZHLPDEF-AREMUKBSSA-N 442.559 5.251 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 257244852 INBMYFQBDXRDDN-UHFFFAOYSA-N 438.587 5.216 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@H]21 257336003 YMSQZDKVVMTSBL-LITUKPMUSA-N 441.612 6.287 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 260772422 NQTYERVWMZZXBT-XGRCMKMKSA-N 433.533 5.328 0 40 IKAB O=C(O)/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)Sc1nc2ccccc2[nH]1 408633743 LXJLCQSGRKKORV-BOPFTXTBSA-N 428.922 6.178 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1 408646111 SZVVZHYOPOGEKX-LJQANCHMSA-N 446.522 6.041 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675627 JWRJYCBEVQVONN-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408699399 WQRFMMPUYPLWFB-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 408814582 VTUCCLWFGFUEOP-KZCPSJLXSA-N 437.585 5.758 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 408927063 XTECAHWACVMPFE-UHFFFAOYSA-N 442.968 5.691 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(I)cc2C)c1 409137062 WGCOYNMEDSDRLO-UHFFFAOYSA-N 425.335 5.088 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409174996 XOJFETVNECCCMY-PDGQHHTCSA-N 432.339 5.474 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 409178992 OPVOBIQNIBDERU-SFHVURJKSA-N 440.590 5.224 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c2ccccc21 409354005 WJGLHIJMAGIIIY-ODLFYWEKSA-N 441.350 5.660 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1-c1ccc(C)cc1 900784 RWLFFLFVFPZHHB-GOSISDBHSA-N 444.560 5.371 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1ccc(Cl)cc1 988648 AHVYTCCIDSLKLI-UHFFFAOYSA-N 425.912 5.146 0 40 IKAB CC(=O)c1c(C(C)=O)c(C)n(-c2nc(-c3ccc(Oc4ccccc4)cc3)c(C)s2)c1C 1106350 CFUGKXULVCHFFX-UHFFFAOYSA-N 444.556 6.724 0 40 IKAB Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1C 2284810 JYXHOMQZCIUIAW-UHFFFAOYSA-N 429.321 6.015 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCc4ccccc4)c23)CO1 2412743 KYFQOQFOTJUHSV-HSZRJFAPSA-N 427.639 6.088 0 40 IKAB CCc1cc([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 2551841 SEAZZFYKGISAHD-XMMPIXPASA-N 436.596 6.523 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1c2c(nc3ccccc13)CCCCC2 2620416 UBUZYVGHJZVECZ-KRWDZBQOSA-N 426.516 5.722 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)cc1Cl 2714143 OTUMYRVXIOGITJ-UHFFFAOYSA-N 426.907 6.493 0 40 IKAB CC(C)(C)C(=O)CSc1nnc(-c2c(Cl)sc3ccccc23)n1-c1ccccc1 3230676 QSIQQHJXSRMMMR-UHFFFAOYSA-N 442.009 6.510 0 40 IKAB Cc1nc2ccc(NC(=O)/C=C/c3cn(-c4ccccc4)nc3-c3cccnc3)cc2s1 3232639 ARRATKXIHBQFRF-FMIVXFBMSA-N 437.528 5.504 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 3408225 CRGGMAZZGAVJDH-UHFFFAOYSA-N 433.558 5.914 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)cc1 3409633 SYSNEYJFCADTSB-UHFFFAOYSA-N 433.599 5.831 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1cc(-c2ccc(F)cc2)nc2ccccc12 3535859 DNADNDPRGSVVCF-UHFFFAOYSA-N 431.448 5.509 0 40 IKAB COc1ccc(N2N=C(C(C)=O)N(c3ccc(Cl)cc3)[C@H]2c2ccc3c(c2)OCO3)cc1 3672736 FEYFTAFHGVHWOO-XMMPIXPASA-N 449.894 5.005 0 40 IKAB Nc1c(Oc2cccc(OC(F)(F)F)c2)ncnc1Oc1cccc(OC(F)(F)F)c1 4106779 HJMUNDZBQVXAKN-UHFFFAOYSA-N 447.291 5.441 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2c2ccc(C)c(C)c2)c(OC)c1OC 4118533 YZFTUOVKZJKZIL-HSZRJFAPSA-N 434.511 5.824 0 40 IKAB CCCCCC(=O)N[C@@H](Nc1ccc(C(=O)OCCCC)cc1)C(Cl)(Cl)Cl 6077860 ZIYXSCMEGDSVKA-GOSISDBHSA-N 437.795 5.448 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C 6320845 RDTQGUBDOAIRKM-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB COCCOC(=O)c1c(C)n(CCSc2ccccc2)c2c1cc(O)c1ccccc12 8783571 TZXRMYTXCUUWBG-UHFFFAOYSA-N 435.545 5.404 0 40 IKAB biogenic,in-vitro Cc1cc(C)c2c(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCC4)coc2c1 8916401 KJOFXKVTCNOYPB-UHFFFAOYSA-N 448.544 5.304 0 40 IKAB Cc1cccc(CSc2cn(CCNC(=O)c3ccc(C)c(C)c3)c3ccccc23)c1 9391944 XRAWFXQETJJCRP-UHFFFAOYSA-N 428.601 6.289 0 40 IKAB COc1cc(CN(C)C(=O)Cc2c(F)cccc2Cl)ccc1OCc1ccccc1 9467664 XOJQKNDIYXUQFZ-UHFFFAOYSA-N 427.903 5.268 0 40 IKAB Cc1ccc2c(CC(=O)Nc3cc(Cl)ccc3Sc3nncn3C)coc2c1C 9778734 BPUAAODTXKGWOR-UHFFFAOYSA-N 426.929 5.164 0 40 IKAB CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Br)cc2)CC1 9849747 NQMGOVUZBCMEEH-UHFFFAOYSA-N 443.429 5.490 0 40 IKAB COc1ccc(C)cc1Nc1nc2cc(C)ccc2nc1NS(=O)(=O)c1ccc(C)cc1 9858079 JAIYCKAKNZFAHU-UHFFFAOYSA-N 448.548 5.108 0 40 IKAB Cc1cccc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1C 11667328 VBFIRBSJRPFDNZ-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OCC(=O)c3ccc(-c4ccccc4)cc3)ccc12 11867379 IJIHHODWULGZAW-UHFFFAOYSA-N 426.512 6.373 0 40 IKAB FC(F)(F)c1ccccc1CSc1nnc(CN2CCCCC2)n1-c1ccccc1 12135284 MWJVPZZUYHVNFP-UHFFFAOYSA-N 432.515 5.564 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1OC 12437278 VSTGRFASKVXDLM-CUBQBAPOSA-N 436.511 6.099 0 40 IKAB CCOc1ccc(C2=NNC(c3ccccc3)=Nc3c2ccc2ccccc32)cc1OCC 12485996 FLAATWFMHOGGMS-UHFFFAOYSA-N 435.527 6.071 0 40 IKAB CCCCc1noc(CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 12645383 XVUGNKVIAYUBLW-UHFFFAOYSA-N 434.569 5.471 0 40 IKAB Cc1cccc2sc(C(=O)Nc3nc(CN4C[C@@H](C)O[C@H](C)C4)cs3)c(Cl)c12 12756116 MDQLXQBUJBRNCK-CHWSQXEVSA-N 436.002 5.181 0 40 IKAB CCc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 12878296 GSCHLBCCCOEFIL-UHFFFAOYSA-N 443.041 5.545 0 40 IKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)CCc2nnc(-c3ccsc3)o2)cc1 12937185 JBAANGNDMGUZJK-UHFFFAOYSA-N 439.924 6.124 0 40 IKAB CC(=O)NCc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)s1 13164119 CGNNYHCNTSZWSB-UHFFFAOYSA-N 439.587 5.031 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c2ccccc2S1 13164301 WGYLLOUUHYGHHI-AWEZNQCLSA-N 436.562 5.228 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)cc1C 14155467 LWZCUEWCKBOFDX-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccc(F)cc2)n1 14608337 HVDGHSZZRQZNIX-UHFFFAOYSA-N 438.304 5.591 0 40 IKAB Cc1ccc2c(nc3s/c(=C\c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(=O)n32)c1C 15218196 AGBMNMJNRNDBIV-MOSHPQCFSA-N 434.605 5.374 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3cccc(Cl)c3)c2)cc1C 15913307 LDPKRCUGAPGTGH-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16688567 SKKPWNNQUMJUMM-KRWDZBQOSA-N 444.786 5.893 0 40 IKAB CCCCCC[C@@H](C/C=C/CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O 16891754 GXLLXKLCZRBGPM-CKNRVKLLSA-N 440.621 6.060 0 40 IKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 17096588 SZVUIKWLXYCVIC-UHFFFAOYSA-N 429.545 6.021 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 17096645 XLCMUGSZTNVPBT-UHFFFAOYSA-N 429.589 5.717 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc2c(C(F)(F)F)nn(-c3ccccc3)c2s1 17099718 GKONUOSSJLELCL-UHFFFAOYSA-N 435.858 6.320 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)c1 17196568 NZRKRSRNVCTXII-UHFFFAOYSA-N 448.975 6.196 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1 18194098 ZNZDACBDWWJONT-UHFFFAOYSA-N 442.544 5.229 0 40 IKAB O=C(Cc1ccccc1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 19370135 BOTSJFJXOOBUNO-UHFFFAOYSA-N 431.483 5.173 0 40 IKAB CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c1 19450838 QEBJBSLJEHZYCP-RUZDIDTESA-N 449.620 5.314 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)Cc4cccc(OC)c4)CC3)c2)cc1 19691096 WEDGRCOMVBCPDO-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccccc2)cc1 20285585 BWMFUKHYAXFDLG-BZZOAKBMSA-N 439.920 5.550 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(Cl)c4Cl)c3)oc2cc1C 21578523 ZBHNUEUSHCWBTO-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c2ccccc2S1 24979617 YPGSQJWJEJIJSV-MRXNPFEDSA-N 432.593 5.566 0 40 IKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013309 BFLJZKQEXRIPJR-UHFFFAOYSA-N 428.540 5.111 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)c(Cl)c2)cc1 30847804 OPJMJKAATKPNQH-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 32116714 KVBNNQWVLAKRQM-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Clc1ccc(OCc2nnc(SCc3noc(-c4ccccc4Cl)n3)o2)cc1 32754524 PAWSVZHRHQMLOH-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB O=C(CCCc1nc2ccccc2s1)NC[C@@H](c1ccccc1Cl)N1CCCC1 32988536 QTMUKPSFQAKAGY-FQEVSTJZSA-N 428.001 5.226 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccc(NC(=O)c3ccco3)cc2s1 33000327 HSUWYBWEMHJMPI-CQSZACIVSA-N 449.557 5.212 0 40 IKAB O=C1N/C(=N\c2ccccc2C(F)(F)F)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35645968 DSCMXENZYLYOHL-WQRHYEAKSA-N 448.853 6.510 0 40 IKAB Cc1cccc(O[C@H](C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 39900015 FNECJNMFSNUMGY-OAQYLSRUSA-N 427.548 5.926 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C 44911679 ZBEZTVGBMPEIBC-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)Cc1ccc(Cl)cc1 45890832 OFVAQZZNVZFYPU-UHFFFAOYSA-N 446.570 5.245 0 40 IKAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2cccc(Br)c2)nc1 48288038 AGRRBXRGYCOOID-UHFFFAOYSA-N 439.309 5.238 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358092 JHLCIEFLRCVRHL-LJQANCHMSA-N 431.483 5.433 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 89662107 GRHRAEJAGOWHKT-WOJBJXKFSA-N 445.991 5.749 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c1 101532351 FRBDFGGZBPEKEX-DBYOASNMSA-N 428.576 6.244 0 40 IKAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 101596567 LFXJNFCJVQGAAZ-JHJVBQTASA-N 440.744 5.251 0 40 IKAB CC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2 103083480 JVJPQPSOCZAUMC-GDGUIRGDSA-N 434.561 5.245 0 40 IKAB CCSc1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(SCC)cc3)C2=O)cc1 103753828 ZXXNZORTFYWLJF-RUZDIDTESA-N 446.641 6.995 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(O)=C2[C@H]1c1ccc(C)cc1 104077751 PVJKNBRRRAQJIF-PIIWDFAUSA-N 440.518 6.704 0 40 IKAB CC[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(OC)c1 218992353 DVBXOZPXKZDQIK-QFIPXVFZSA-N 439.939 5.817 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 222729550 WLWLQNMLUNBVDZ-LLVKDONJSA-N 448.177 5.006 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2cccc(Cl)c2)c1C 222816714 DPGCGRNWULAMAX-XZOQPEGZSA-N 439.028 5.832 0 40 IKAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222849161 CFFPAYBQLDBDOB-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222893980 HVWKCPYBLKGGGO-VQTJNVASSA-N 432.376 6.031 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 223074459 DHLKSAOHAOVPGS-YADHBBJMSA-N 441.984 5.312 0 40 IKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223361040 HDMWJHQEKYMDJN-UHFFFAOYSA-N 431.985 5.617 0 40 IKAB COC(=O)c1ccc(NCCC2=CCCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223414564 HRJMKVXDHPTQQD-UHFFFAOYSA-N 448.972 5.230 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223632313 IJJXMWARWKYGJE-VQTJNVASSA-N 448.375 5.003 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 223769064 KCVQKRIIBICTFV-DQEYMECFSA-N 440.572 5.366 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223807318 VUVJNUZCMUGMDH-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 223993506 NABYBLWTXOMJRJ-OYRHEFFESA-N 436.669 5.752 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C 224113132 YGKGIUGQXQJTPA-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C 224142134 WFEAVKCAJVIAHL-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1CSc1ccc(C)cc1 224336431 BKNXJDPFVLIBEV-UHFFFAOYSA-N 442.378 6.311 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224343292 QBLAYZZSDFNVNT-SFHVURJKSA-N 449.422 5.342 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(OCCSc2ccccc2)cc1 224381436 CAQKTDMUWFDBCH-UHFFFAOYSA-N 440.568 6.096 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 224556885 MICZIHSRDKYEEO-HSZRJFAPSA-N 426.626 5.057 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224848985 WPMZACBJSQSADH-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 225128461 BITIAPOJKQIAHO-IBGZPJMESA-N 426.988 5.139 0 40 IKAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 225408098 RBPATRLEVQECCC-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1 225485014 XUMTYHSDEOQBHR-RUZDIDTESA-N 444.644 6.961 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@H](C)C4)cc3)CCCC2)c1 225509937 ZZPBBOGTQSGTDK-GOTSBHOMSA-N 434.624 5.802 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225557158 CLVMUPOEHAGMPM-XMSQKQJNSA-N 447.044 5.463 0 40 IKAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 225613799 RVBKOLGJDIASTC-UHFFFAOYSA-N 433.423 5.647 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccc(Cl)c(Cl)c1 225810519 ZXCOQQIEJLURBL-UHFFFAOYSA-N 438.298 5.441 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)C1 226666995 ATZFDDWHFVQWFV-OGQCEUPSSA-N 441.571 5.606 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c(Br)c1 227157522 FBRKOTPEWMSLDJ-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC(C)(C)C)CC1 257216365 CUFMAJYDPHMYSU-UHFFFAOYSA-N 434.624 5.386 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3ccc4ccccc4n3)o2)c1 257320915 VZGMVLDFUMNWJS-DEOSSOPVSA-N 427.504 5.190 0 40 IKAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260707664 ATATVMDSBWZSGM-RTBURBONSA-N 447.608 5.695 0 40 IKAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc2ccccc12 408562383 PGACJSAETWBPSY-UHFFFAOYSA-N 438.556 5.443 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)c1 408610066 NKBOGPZLYJJZET-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\S[C](Nc4cc(Cl)ccc4C)NC3=O)cc2)c1 408803412 OPMMHDUYPVHKAE-UHFFFAOYSA-N 449.983 6.299 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(OC)c(OCc3ccccc3)cc2Br)C1=O 409072074 ASRIPKBDECLMIX-VCHYOVAHSA-N 448.338 5.093 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc(Br)cc1 409098626 PLKAOKYYCYJSGM-BKUYFWCQSA-N 438.346 6.113 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1cc(Cl)ccc1Oc1ccccc1 409408397 CHQAMZKZEZVZBG-UHFFFAOYSA-N 436.335 6.797 0 40 IKAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4cccs4)C[C@H]23)cc1OC 585169107 CGDJXXJHEBOUJK-UBFVSLLYSA-N 448.632 5.255 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 661532 QXBSKOQFMWSEAH-HNNXBMFYSA-N 431.561 6.320 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)cc2c1 874530 AEONIQDWNBLUER-UHFFFAOYSA-N 435.524 5.222 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccccc1 900589 SKOWNNSTZJZOQR-UHFFFAOYSA-N 428.561 5.341 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccc(F)cc2)cc1Cl 1332331 LDSLOMZXDVRXDE-UHFFFAOYSA-N 428.916 5.771 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(CCN3C(=O)c4ccccc4C3=O)cc2)cc1 1917857 VDBCYFBGIHMBKV-UHFFFAOYSA-N 427.500 5.042 0 40 IKAB CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc(CCC)cc4)n3)cc2)cc1 2054783 UOUMAFPRBZWTAC-UHFFFAOYSA-N 440.587 7.982 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 2442396 AENZLHDNTJWNKX-UHFFFAOYSA-N 432.549 5.188 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3-c2ccc(C)cc2)cc1 2622162 UEDRKFVNVAAFAH-UHFFFAOYSA-N 438.556 6.327 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 2652402 IUIANYRDHWOPOY-UHFFFAOYSA-N 433.529 6.136 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 3011651 LICYRNCXPDLYAF-ICSRJNTNSA-N 444.457 5.421 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCCC1=CCCCC1 3308640 MLCNHCIQKIMGFF-UHFFFAOYSA-N 426.032 5.415 0 40 IKAB CCOc1ccc(OCCSc2nnc(-c3ccccc3Cl)n2CCCOC)cc1 3330804 RDPJISYDUKMBJW-UHFFFAOYSA-N 447.988 5.205 0 40 IKAB Cc1c(C(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)oc2c1ccc1ccccc12 3351891 NUHACGLXWRUCDS-UHFFFAOYSA-N 429.516 5.879 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 6300233 ZLSNFQDVUCZEGE-SFHVURJKSA-N 448.588 6.323 0 40 IKAB CCOc1cccc(C(=O)N2c3c(OC)cccc3-c3c(ssc3=S)C2(C)C)c1 6631290 VERJUBRUJKLOBF-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 8499351 DCXZSCFRBFVPAR-HSZRJFAPSA-N 428.576 5.005 0 40 IKAB COc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2cccc(C)c2)cc1Cl 8598672 QKSQXATYJWOLGV-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756145 KEZHFACKPSBMKR-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8758791 MJOXKSAAYYGPRX-UHFFFAOYSA-N 432.343 5.101 0 40 IKAB Cc1ccc(SCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 8767706 ZQRMJLDIRILPJF-UHFFFAOYSA-N 425.366 6.090 0 40 IKAB CCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc12 8870326 NASGKWOSOSVJLY-UHFFFAOYSA-N 429.538 5.325 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3cccc(Cl)c3Cl)cc2s1)c1ccco1 8902666 SDGYWVZYEMSUDA-UHFFFAOYSA-N 432.288 5.701 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccccc1C(F)(F)F)CC2 9139461 PHBAWKXUEGWABP-NRFANRHFSA-N 447.478 5.572 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N[C@@H](c1ccccc1)c1cccs1 9208245 OQFGRSODTKKQKB-QFIPXVFZSA-N 446.601 5.204 0 40 IKAB O=C(OCc1nc2ccccc2c(=O)[nH]1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 9222182 VYHNLQQOFLZQTH-UHFFFAOYSA-N 447.903 5.210 0 40 IKAB CCC(=O)Nc1c(-c2ccc(C)cc2)nc2c(Br)cc(Br)cn12 9327406 CTSSXHWNBJUVLA-UHFFFAOYSA-N 437.135 5.183 0 40 IKAB Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9358344 IHEQFHABQCJACT-RUZDIDTESA-N 443.978 5.876 0 40 IKAB c1ccc([C@@H]2Nn3c(nc4ccc(N5CCC(N6CCCC6)CC5)cc43)-c3ccccc32)cc1 9421240 IWTZCEKDJZGFJN-NDEPHWFRSA-N 449.602 5.414 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 9569371 LDHYXRUUUDDPOM-UHFFFAOYSA-N 426.472 5.043 0 40 IKAB c1ccc2sc(C3CCN(Cc4nnc(-c5cc6c(s5)CCCC6)o4)CC3)nc2c1 9645192 IJHXTWIOGVLPOF-UHFFFAOYSA-N 436.606 5.666 0 40 IKAB CCn1c(SCC(=O)N2CCC(c3nc4ccccc4s3)CC2)nc2ccccc21 9672194 IPZQBEOWHUNSIE-UHFFFAOYSA-N 436.606 5.164 0 40 IKAB COc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(Br)c1OC 9715253 JXIDTWCIACYRIG-KPKJPENVSA-N 434.311 5.091 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccs1 9868954 PTPVRXFXUVUAIW-INIZCTEOSA-N 432.574 5.237 0 40 IKAB CC(=O)c1ccc(C(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)s1 9945362 YOUUNLLXJDLGOC-FQEVSTJZSA-N 431.561 5.060 0 40 IKAB C[C@H](NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)C12CC3CC(CC(C3)C1)C2 10128941 WZONQIFPLDLBFQ-BBXRDKHSSA-N 427.544 5.795 0 40 IKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NCc1cccc(Br)c1 12285367 RSQSBDUNROPEPE-UHFFFAOYSA-N 437.337 5.210 0 40 IKAB Cc1cccc2sc(NC(=O)Cc3csc(SCC(=O)c4ccccc4)n3)nc12 12444164 QATWTSNGMUYLSK-UHFFFAOYSA-N 439.587 5.217 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(F)cc1)N(C1=CCCCC1)C1CC1 12534423 SAECQFFWXJSYPJ-UHFFFAOYSA-N 449.555 5.009 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 12590913 AIYFCLDSSHGCMF-HUUCEWRRSA-N 442.610 5.923 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 12602890 LKQUJEYSMGDJAM-DYESRHJHSA-N 447.966 5.579 0 40 IKAB CN(Cc1ccccc1NC(=O)c1ccc(NC(=O)c2cccs2)cc1)C1CCCCC1 12905566 NFSVBNIAMZJNAJ-UHFFFAOYSA-N 447.604 6.017 0 40 IKAB CCOC(CNCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1)OCC 13112614 HYZHKSYIQVNAQG-UHFFFAOYSA-N 428.356 5.070 0 40 IKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628252 MKRAVKSONOYDCB-XMMPIXPASA-N 444.575 6.341 0 40 IKAB Clc1ccc(-c2cc(-c3ccccc3)cc(-c3ccc(Cl)c(Cl)c3)n2)cc1Cl 13756742 HHSRWYHQBMTMRH-UHFFFAOYSA-N 445.176 8.696 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(OC)c1 13948067 SXTCUOGCDJXTSI-UHFFFAOYSA-N 440.546 5.090 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CN[C@H](c2ccccc2)c2cccs2)cs1 14185106 BUINSASKQXTFPO-HSZRJFAPSA-N 449.601 5.777 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1cc(=O)c2cc(C)ccc2[nH]1 15865316 TVGHIUBNEAJAJF-UHFFFAOYSA-N 448.592 5.443 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccccc2F)cc1 16309868 AMTWFSSVSOWJFD-UHFFFAOYSA-N 448.519 5.121 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c(F)c1F 17098752 ZQXCIUOXQNJOLV-UHFFFAOYSA-N 434.320 5.451 0 40 IKAB CCOc1ccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1OC 19533750 GPZDNBFGGGCSFS-UHFFFAOYSA-N 431.483 5.256 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nc2c1 19636611 CEHPCGNPHTXBFC-SFHVURJKSA-N 442.559 6.897 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c2ccccc2)cc1 20105913 YJRWXLROOGYWEW-JIMGHXBBSA-N 433.551 6.450 0 40 IKAB COc1c(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc2ccccc2c1Br 20139217 OXEUULWZIVECPE-UHFFFAOYSA-N 434.673 5.215 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140290 RLMUFZBWSDFQTL-UHFFFAOYSA-N 427.378 5.970 0 40 IKAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1-c1ccc(CO)o1 20144713 HYPRUQLUBZUJAD-GFCCVEGCSA-N 436.291 5.160 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc5ccccc45)cc3n2)cc1Cl 20610814 BCXWNSCYDJXTPR-UHFFFAOYSA-N 428.879 5.488 0 40 IKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)n1 20744635 NYBDCBSLXZLQJC-NRFANRHFSA-N 431.561 5.537 0 40 IKAB COc1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 21596086 XXICXHGKYICGSD-NTCAYCPXSA-N 436.467 6.415 0 40 IKAB S=c1[nH]nc(-c2ccccc2)n1NCc1ccc(-c2ccc(Br)cc2)o1 22111369 HXKHOSMTOWBRJY-UHFFFAOYSA-N 427.327 5.374 0 40 IKAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2ccccc21 22234581 LTOIKUORDNOKQN-UHFFFAOYSA-N 428.332 5.311 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)o2)cc1 23989407 KCCNDISZRATJPU-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3cccc(C)c3C)s2)cc1 24829217 HNKMFGMICGHISF-UHFFFAOYSA-N 435.578 5.194 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC3=C4CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@]4(C)CC[C@@H]32)C1 25552577 LALAQRGFSWBMHR-ZRPPNGQOSA-N 442.728 8.350 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)cs2)cc1 26436329 QLRTUFPFVXIJSE-KRWDZBQOSA-N 427.482 5.137 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)NC(c1ccccc1)c1ccccc1 27520409 ORJOKBAIWYKGOY-UHFFFAOYSA-N 436.599 7.066 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 30756300 RJHCQNFBAIDLSV-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc2c1 33067995 CXUKRKLYUZMDHK-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB Cc1nc2sc([C@@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 36370390 WUEJPIZHKVWRIN-OHUAYANFSA-N 425.385 5.179 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)c(Br)c1 38756608 ALNVBDHADZTULH-FQEVSTJZSA-N 434.374 5.303 0 40 IKAB Cn1nc(C2CCCC2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CN(Cc1ccco1)Cc1ccco1 39560666 NHPJOVMUYQOGDM-FBLLAGFSSA-N 448.611 5.144 0 40 IKAB biogenic,in-vitro COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccccc2C)cc1 44086745 MQOFXNUKEWACRI-UHFFFAOYSA-N 436.562 5.044 0 40 IKAB CCc1nnc2c(S(=O)(=O)N(Cc3ccccc3C)c3ccc(C(C)C)cc3)cccn12 49405052 WJZGASKKZNTLDJ-UHFFFAOYSA-N 448.592 5.119 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 57486333 ZILBAZBGDAJAGG-UHFFFAOYSA-N 448.588 6.184 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 59056790 GZNOKRIWJRPJKN-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N2CCc3ccccc32)cc1 71328068 RGINPMQRIQYXHU-UHFFFAOYSA-N 435.593 5.125 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72214829 JXPWNYHTPYJUEQ-OAQYLSRUSA-N 439.556 5.707 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cs1 72358146 KOTKCEKWLXOJQL-OAQYLSRUSA-N 445.510 5.362 0 40 IKAB COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccccc1F 85412235 UMXKUYBTERFLHI-OAQYLSRUSA-N 441.528 5.370 0 40 IKAB CC1=C(CC(=O)Nc2ccc(O)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101477184 INXJGLQKAJFXIC-ABWPRXLSSA-N 447.531 5.625 0 40 IKAB C[C@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222765688 IXLGQDZEXBXCHP-HXUWFJFHSA-N 434.967 5.006 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 222916204 ONTVAOZQNNWCDL-VWLOTQADSA-N 433.617 7.073 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 222948003 LEDPIVYVPIAUKV-INIZCTEOSA-N 435.395 5.258 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223059118 DRPBPIZVWVOBSG-RUZDIDTESA-N 448.994 5.252 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 223237437 UBMBZYUBLBWXGU-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 223303261 BZUPVWOZLNFIJS-HSZRJFAPSA-N 440.653 5.340 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1C(C)C 223354313 IFZJHJFCEFQJKA-JKSUJKDBSA-N 434.374 5.534 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C(C)C 223354447 IFZJHJFCEFQJKA-HOTGVXAUSA-N 434.374 5.534 0 40 IKAB COc1cc2c(cc1S(=O)(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C)CCCC2 223482659 VDVFYKAPTCGPRH-SANMLTNESA-N 435.589 5.259 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 223493099 AUTLOKRCUNKUON-RPBOFIJWSA-N 445.636 5.573 0 40 IKAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223517136 PDDLVWUWTXSWJU-IBGZPJMESA-N 447.044 5.198 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223591436 GWUJSCPFJXLEAV-VWLOTQADSA-N 436.640 5.640 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)c(C)c1 223952579 GGHJCLZBWKCTCT-DEOSSOPVSA-N 436.577 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 224239761 BNBFLEAFXQDUCJ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 224392868 QFYQPFUHESOCTM-DNQXCXABSA-N 446.551 5.457 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 224456983 CTVKSMXDDASFJZ-FGZHOGPDSA-N 431.952 5.098 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224540754 ICVRSODRUVOLGN-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 225163917 JSXCBBXNIUPWPV-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225331232 ODJZFQNNNSQAGK-QZTJIDSGSA-N 449.422 5.566 0 40 IKAB CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3ccc(Cl)c(Cl)c3)n2)cc1 225340887 LGWCFQVISXKTBP-UHFFFAOYSA-N 432.351 5.590 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225362276 FDLKSFYCGLXZOO-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1Cl 225535901 KFUSTHLVONNJJF-UHFFFAOYSA-N 429.988 6.375 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225577647 DHARIPJCEQZYFC-URXFXBBRSA-N 438.612 5.021 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccc(Cl)cc2)ccc1N1CCCC1=O 225610693 KZMRCKHGIPILBG-UHFFFAOYSA-N 448.057 5.385 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)c1 225701286 FLQKJPYKHMROIB-VWLOTQADSA-N 443.616 5.697 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 225869958 FFOKQZKPSCVLFT-UHFFFAOYSA-N 436.983 6.764 0 40 IKAB CCOc1ccc(F)cc1C(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173487 OTCVGGBLZSBPHE-UHFFFAOYSA-N 438.446 5.545 0 40 IKAB CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccccc1Cl 408572457 HELJRYIKTHIJHX-UHFFFAOYSA-N 425.981 5.826 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)cc1C 408724430 KGGPPDOWEYHNAW-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1 408733315 XINCVYJEQNNDLP-UHFFFAOYSA-N 442.562 7.680 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)N2C(c3ccc(C)cc3)=CSC2=N1 408992847 USFLZPSSMAGRDY-RUZDIDTESA-N 437.568 6.366 0 40 IKAB O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccccc1F 409243952 ZNMHESWJOYMRRU-OEAKJJBVSA-N 443.453 5.061 0 40 IKAB CO[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)[C@H](O)C[C@@H](C)C(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H]3C[C@]312 1569985910 ARQYLHUGLRKTPS-FGFNCWORSA-N 430.717 6.949 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 646951 LJUPEZOJSBKFTP-MJGOQNOKSA-N 448.876 5.469 0 40 IKAB CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890808 BPEOCIJSABZLBT-OAHLLOKOSA-N 427.467 5.185 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1 900416 AWSKBMOVINTING-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccco3)OC2=O)cc(Cl)c1OCc1ccccc1F 997359 WINWCYCELDDLGQ-WQRHYEAKSA-N 441.842 5.394 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc(CC)nc3sc(C)c(C)c23)ccc1C 1372170 DWJKNQHKRWNNRZ-UHFFFAOYSA-N 442.610 5.258 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@@H](C(C)C)OC3 1754659 BBZPBFPOVQBCKV-IBGZPJMESA-N 442.650 6.135 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nnc(C2CCCCC2)s1 1782448 UTUQNWPPLVQMBR-DHZHZOJOSA-N 436.375 5.399 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)C1CCCCC1 1945697 MUXYZWYFYGOQHZ-UHFFFAOYSA-N 436.371 5.873 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1 2052062 ZMFXXDJDXLULBQ-UHFFFAOYSA-N 444.490 7.062 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C3=O 2198792 XQMREIJWUQOIMH-HXUWFJFHSA-N 440.282 5.747 0 40 IKAB CCCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(=O)[nH]n3C2CCCCCC2)cc1 2397099 IMYGHLTWMWCXQE-QFIPXVFZSA-N 443.613 6.065 0 40 IKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1 2439476 OSLOPQKTBPDDAL-UHFFFAOYSA-N 430.456 5.568 0 40 IKAB biogenic COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 2692206 PPQGWJWZJXDTFU-UHFFFAOYSA-N 441.462 5.170 0 40 IKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1cc2ccccc2oc1=O 2721141 FKIZCSAKSFIFST-UHFFFAOYSA-N 440.524 5.463 0 40 IKAB aggregator C=C1C(CC)=C(c2ccccc2)N=C(c2ccccc2)N1CCNc1ccc2ccccc2c1 3176351 NZTRJSPFCFEQMM-UHFFFAOYSA-N 443.594 7.349 0 40 IKAB S=c1n(CN2CCCC2)nc(-c2sc3ccccc3c2Cl)n1-c1ccccc1 3226134 PCBIDDDLSRJZHS-UHFFFAOYSA-N 426.998 5.992 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCc1c(F)cccc1Cl 3248190 UYFLPHGOFJFSMJ-UHFFFAOYSA-N 440.301 7.013 0 40 IKAB Cc1csc(S[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 3297463 BVKVICPKYNBMGX-MRXNPFEDSA-N 442.915 6.596 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)C(=O)OC)ncnc32)cc1 3658786 GYXWYSAECWSSDC-MRXNPFEDSA-N 433.533 5.140 0 40 IKAB O[C@H](CN1c2ccccc2Sc2ccccc21)CN(C1CCCCC1)C1CCCCC1 4086246 FXLFZOHESFVIIP-QHCPKHFHSA-N 436.665 6.618 0 40 IKAB O=C(O)CCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O 5113084 JPUCVAQYQIGVSJ-UHFFFAOYSA-N 440.709 8.908 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccc(Cl)cc2)cc1 6142855 NDAIBZKJTFIGHO-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB CC1=CC(C)(C)Oc2c1c(=O)n(-c1cccc(Cl)c1)c(=S)n2-c1cccc(Cl)c1 8437554 AYBZSUKQMZVNAX-UHFFFAOYSA-N 445.371 6.239 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(Cl)cc1 8755978 DTDVUQMOJYGVJX-LJQANCHMSA-N 445.950 5.679 0 40 IKAB Clc1ccc(-c2csc3ncnc(SCc4ccc(Br)cc4)c23)cc1 8788504 MGDLIKNUSPVDIC-UHFFFAOYSA-N 447.810 7.067 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1C 8810203 MDYBNBLZJDUMIB-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828296 FWYWDIKJZQEQMQ-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccc(Cl)cc5)o4)o3)cc2C1 8861842 OBFCQYNCAVFRJK-NSHDSACASA-N 444.969 5.919 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3o2)cc1 8902967 XYTVZPFQDSHNDO-UHFFFAOYSA-N 436.964 7.002 0 40 IKAB C[C@@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 9130167 SYCJJBDJESXAPU-XMSQKQJNSA-N 442.540 6.168 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)[nH]2)cc1 9199464 FUWZKSWPBXDLJJ-UHFFFAOYSA-N 435.380 5.807 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cs2)cc1 9446938 IISLRZQHJCEFSI-UHFFFAOYSA-N 435.574 5.448 0 40 IKAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9639435 LBACOJHLPVQPLM-SECBINFHSA-N 449.533 5.054 0 40 IKAB C[C@H](Oc1ccc(Br)cc1Br)c1nnc(-c2cccs2)o1 9778202 VEKBXEGREIBZAR-QMMMGPOBSA-N 430.121 5.463 0 40 IKAB COc1cccc(-c2noc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)n2)c1 9868817 UZPYPTMNHDKKLV-LBPRGKRZSA-N 440.550 5.274 0 40 IKAB CC1(C)Cc2ccccc2C(CSc2nc3c(c(C(F)(F)F)n2)Cc2ccccc2-3)=N1 9972178 AZHVTODGFUOLTF-UHFFFAOYSA-N 439.506 5.983 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1cccnc1Cl 9980082 MMOLWEOJYYYWAM-UHFFFAOYSA-N 431.879 5.054 0 40 IKAB O=c1c2c(nc(SCc3cccc(F)c3)n1-c1cccc(C(F)(F)F)c1)CCS2 12140589 CCWQEUUVSYGZTA-UHFFFAOYSA-N 438.471 5.331 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(Cl)c3C)c3ccccn23)cc1 12342158 OTFLGLXVYNFWNX-UHFFFAOYSA-N 447.922 5.365 0 40 IKAB CCCCCC[C@@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12584021 ZBOOXSDPGRNKQI-JOCHJYFZSA-N 436.599 7.658 0 40 IKAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)C2(c3ccc(Cl)cc3)CCCC2)c1C 12586167 CDVHQJRRSUCZGP-QGZVFWFLSA-N 431.960 5.204 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1cnc(Cl)c(Cl)c1 12776942 MFZVZXUXOZZZKZ-OAQYLSRUSA-N 434.250 5.492 0 40 IKAB Cc1sc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)nc1-c1ccc(Cl)cc1 12786665 BFKDOZXLTXBFSI-INIZCTEOSA-N 425.941 5.302 0 40 IKAB Cc1nc2c(cc1NC(=O)c1cccc(Cl)c1)nc(C)n2Cc1ccc(Cl)cc1 13502026 VEZFBOTWWGONIS-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB COc1ccccc1N(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Cl 13689530 LJIKBVMRBJKNAE-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13709168 GENVICHILVQIQR-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccccc3CC)n2CC)cc1 13871554 RBSOFEXTVRSVQK-KRWDZBQOSA-N 438.597 5.294 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 14135537 WXEGKYFOELFGME-UHFFFAOYSA-N 449.016 5.227 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 16637125 RJTNATXPZXIPHN-UHFFFAOYSA-N 444.771 5.512 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)c1 16902540 WQZPFLPKHUEMBE-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1cc([C@@H]2CC(C)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc(OC)c1OC 17094632 KBOPFWOPOCGYOS-SFHVURJKSA-N 425.916 5.623 0 40 IKAB O=C1C[C@H](c2ccccc2)Cc2c1c(Nc1ccccc1)nn2-c1nc2ccccc2s1 17100488 GPZOKMIUBNTXJU-GOSISDBHSA-N 436.540 6.138 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4oc(=O)ccc4c3)o2)cc1Cl 17102790 UKFQGDGZVBGMLN-UHFFFAOYSA-N 438.892 5.142 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)Cn4ccnc4C)C3)c(-c3ccncc3)c2c1 19220119 OCZILPKVJXUIBB-UGKGYDQZSA-N 441.579 5.086 0 40 IKAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 20453005 AKNPNBSJNJFZCG-XMMPIXPASA-N 436.577 5.313 0 40 IKAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCC[C@@H]3c3ccc(OC)c4ccccc34)c2c1 20729506 YZGSNPDDOYRMNG-ILBGXUMGSA-N 430.504 5.301 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)Cc1c(C(=O)OCC)oc2ccccc12 21472652 NLTQFDZYJBFOPA-UHFFFAOYSA-N 425.510 5.133 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 21576343 JVONMJNPIZGTTG-UHFFFAOYSA-N 433.310 6.635 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1c(Cl)cccc1Cl 22521619 FPRCFDIYPPGBEK-KRWDZBQOSA-N 432.800 5.854 0 40 IKAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N[C@H](c1ccccc1)c1cc2ccccc2o1 24709453 NCQIMNREUQEVJF-XMMPIXPASA-N 446.890 5.290 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1 27516720 QQSJAXUQTOLXCX-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Cc1c(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cccc1-c1nc2ncccc2o1 32107008 NQIJLCVSPKCIJB-FMIVXFBMSA-N 448.935 5.378 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 32622406 SYPZISQAQHKJLN-FQEVSTJZSA-N 430.335 5.215 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCC[C@H]3c3ccncc3)cc12 32907455 DBNNBOAJWBNXNN-FQEVSTJZSA-N 436.968 5.480 0 40 IKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5ccccc5)c3c2N)CCCC4)cc1OC 35325948 QKSIYZHXTUDLPA-UHFFFAOYSA-N 444.556 5.673 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 38240139 QGGRDHGCNNAWIE-XVDRVFFOSA-N 444.700 7.218 0 40 IKAB biogenic COc1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1Cl 38850236 BYHPDHPBADCPKH-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39752913 CNSMLNRSDKXRBV-SDNWHVSQSA-N 444.878 5.294 0 40 IKAB COc1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1OCc1cn2ccccc2n1 40152487 NSTPLOLTBIIMDO-UHFFFAOYSA-N 442.302 5.481 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 40159128 UTZVOWUVFPEZLH-SFHVURJKSA-N 446.576 5.577 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]2C)c1 58314847 FMBQHVCLPMJFRG-JTSKRJEESA-N 427.504 5.094 0 40 IKAB O=C(Nc1ccccc1NC(=O)N1CCCC1)c1cc2cccc(Br)c2o1 58387042 FXASRRKSTCIBOK-UHFFFAOYSA-N 428.286 5.075 0 40 IKAB C[C@@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)[C@H]1C[C@H]2CC[C@H]1C2 102137395 MHVWLMHRSSAGAX-YAMSLAJTSA-N 441.163 5.512 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Cl)cc2)cc1Br 106964382 YPGXPWCTZXPACC-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222892309 GKXRSOPDMNXYGM-VQTJNVASSA-N 442.382 5.487 0 40 IKAB CC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccc(Cl)cc1Cl)c1ccccc1 223334719 LBFPAISSMPJIQL-QHCPKHFHSA-N 441.358 5.400 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 223385094 IZSMOKSAPODFEK-QHKNXTSZSA-N 448.588 5.431 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 223790786 HQAGEMKVWOCMBD-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 223815839 FNFNTTDIRCQROR-HSZRJFAPSA-N 444.616 5.173 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223932199 KKSVDBQHLXFKIR-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224002837 OGKIYUPEDUQPMG-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)CC1 224008046 RDWRVQGLNBCEJQ-UHFFFAOYSA-N 440.632 5.646 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224226775 OKISPDKDVGVXED-SANMLTNESA-N 442.603 5.092 0 40 IKAB CCCc1ccc(OCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 224253727 CIOJASAXEFVNIU-UHFFFAOYSA-N 448.401 5.273 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccccc1C(C)(C)C 224513395 DFAYPRZQVIHKHB-UHFFFAOYSA-N 431.576 6.234 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224855301 PTMUXHOKGHTBQG-DNQXCXABSA-N 448.592 5.193 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccccc1 225067759 NFTMOTOQOQNPOB-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)/C(=C/c3ccc(OC)cc3)c3ccccc3)ccc21 225076939 IXEJOUUBCUSQRG-RCCKNPSSSA-N 430.529 5.271 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225585445 ARYVANJEIRAXEL-VGOFRKELSA-N 449.422 5.566 0 40 IKAB Brc1cccc(-c2nc3cc(Br)cc(Br)c3[nH]2)c1 226343095 MWGAMUDSKDGVCC-UHFFFAOYSA-N 430.925 5.517 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@]32CSC(=O)N2c2ccccc2)cc1 248185222 GYYCHPLVFWVGCJ-DHLKQENFSA-N 443.528 5.266 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@]2(C)C1 253617575 WPHICUIXBCASRI-IQJFKHRFSA-N 434.617 5.034 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 257349132 LQYOPAXXSAPFCV-OOBLNRPBSA-N 442.728 8.061 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 408558205 SFSHZVYFNUMTKA-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)c1cccc(Cl)c1 408559285 WJXSZTMSMIMDKD-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 408696913 GDXTZHLAOGQZLG-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB C[C@H](Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(Cl)c1)C2=O)c1ccccc1 408722951 YGWXFVPBYIRPLS-INIZCTEOSA-N 426.903 6.467 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1ccc2ccccc2c1 408817525 WCJUKHPXLMBVJT-NDENLUEZSA-N 439.920 5.747 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)O)cc4[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)cc2)cc1 409001479 WCRFTXYLBXOVKK-OJAUKTCHSA-N 439.555 6.569 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CSc2ccccc2)cc1 409025409 UNIQLRCWXMMIPY-UHFFFAOYSA-N 446.012 6.435 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c(C)c1 409121548 WPFFUDGEOXMSLQ-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O)Nc1cccc(F)c1 409250000 VRDWXBCRTQFHHF-FYJGNVAPSA-N 448.475 5.293 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(OCc2ccccc2Cl)c1 409370132 LSJZUHMVKCEYGS-NRFANRHFSA-N 440.952 5.687 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 409382627 VRQDDAMTEHQLAU-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Clc1ccc(CCN2CCC[C@@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 1570009243 XRMDHHIBIBJVKT-CLJLJLNGSA-N 440.414 6.807 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3C)C3CCCC3)cc2c1 885076 JTPNWBMXHVSMFZ-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NCc1ccc(Cl)cc1 901456 GXZHDEZGACBFDI-UHFFFAOYSA-N 443.903 5.286 0 40 IKAB Cc1ccc(F)c(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 901589 IRLQOKJCDDETAB-UHFFFAOYSA-N 427.448 5.402 0 40 IKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 1354495 OEKLKXGGEAVOLF-UHFFFAOYSA-N 447.585 5.614 0 40 IKAB COc1ccc(CSc2nc(CSC)cc(Sc3ccc(OC)cc3)n2)cc1 1383177 IAVZVRSBYDHDNW-UHFFFAOYSA-N 430.620 5.800 0 40 IKAB CC(C)Oc1cccc(NC(=O)Nc2cccn(Cc3ccc(Cl)c(Cl)c3)c2=O)c1 1391191 YIPULNPZBIULCZ-UHFFFAOYSA-N 446.334 5.635 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC(=S)N(CC(C)C)CC(C)C)cc2)cc1 1434834 BZZSPRFUEFCMES-UHFFFAOYSA-N 428.598 5.615 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)N[C@@H]1CCCc2ccccc21 2105619 FICUXKQAPZRSAT-HSZRJFAPSA-N 426.947 6.671 0 40 IKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 2222163 NHTAXIVECNEUGP-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccc(F)cc1 2261112 NGLCYTVSTPVRLJ-UHFFFAOYSA-N 445.885 5.260 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3[C@H](N(C(=O)C(C)C)c3ccccc3)C[C@H]2C)c1 2290222 URKSXFTZAQULDY-FQRUVTKNSA-N 442.559 5.865 0 40 IKAB Cc1cc(-c2csc(Nc3ccccc3C(F)(F)F)n2)c(C)n1Cc1cccs1 2646391 FLGKHBAGEAYQMF-UHFFFAOYSA-N 433.524 7.101 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(F)c(F)c1 2651503 NSRYYVIMMFPURW-UHFFFAOYSA-N 437.829 5.873 0 40 IKAB COc1ccccc1CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12 2694366 SEHVOVSJACGYMB-UHFFFAOYSA-N 449.436 5.584 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012862 QXMAFEYIHKQMRE-ZFWWWQNUSA-N 445.228 5.696 0 40 IKAB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccccc1 3139353 TYWKIYZKPQLUJJ-JOCHJYFZSA-N 448.544 5.099 0 40 IKAB C[C@H](NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)c1ccccc1 3244713 JBKHYHCTFXALFD-ICSRJNTNSA-N 444.575 5.420 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(NC[C@@H](c4ccccc4)c4c[nH]c5ccccc45)c23)C1 3329920 LHVTXOSEZWWMDZ-UTKZUKDTSA-N 438.600 6.541 0 40 IKAB Cc1nn2cc(-c3ccc(Cl)c(Cl)c3)cc2c2c(C)n(Cc3ccccc3)c(C)c12 3647569 MJAJUGYEBHCGAN-UHFFFAOYSA-N 434.370 7.236 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1OC 4554739 YTWHFQUXBVUVIA-BTYIYWSLSA-N 428.598 6.125 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 4903197 QORVXDIAFCOZLR-NRFANRHFSA-N 425.532 5.253 0 40 IKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 8383372 PMTDCGAKLVWRLK-UHFFFAOYSA-N 431.333 6.479 0 40 IKAB O=C(Cn1c(Sc2ccc(C(F)(F)F)cn2)nc2ccccc21)c1ccc(Cl)cc1 8409962 GBSZGRKTSUARFF-UHFFFAOYSA-N 447.869 6.138 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4cccc5ccccc45)C3=O)cs2)cc1 8750838 ZFXRLZROCCJQDM-VWLOTQADSA-N 427.529 5.239 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 8831997 QOFFGLAMZQXEHN-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903935 KGZIZRJRTDXMNW-MRXNPFEDSA-N 446.503 5.942 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)s1 8918998 FNUAESFQPZXTQF-RUZDIDTESA-N 447.943 5.562 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 8920841 ZFTYTBXTSCPOKI-HXPMCKFVSA-N 434.989 6.086 0 40 IKAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 8988540 AREFADZJZSHSDA-HOTGVXAUSA-N 433.021 5.310 0 40 IKAB O=C(CSc1cc(Cl)ccc1Cl)N(Cc1ccncc1)c1ccc2c(c1)OCO2 9222713 NHKSQKCLWQUSMJ-UHFFFAOYSA-N 447.343 5.443 0 40 IKAB CC[C@H](C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 9282740 KZJIIMLMFJSOOL-LBPRGKRZSA-N 428.414 5.130 0 40 IKAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 9339743 CLXLMNVZJMJEHH-UHFFFAOYSA-N 429.522 6.440 0 40 IKAB O=C(Nc1ccccc1)c1oc2ccccc2c1NC(=O)C(c1ccccc1)c1ccccc1 9343896 ZGXCWKNFUWIJRE-UHFFFAOYSA-N 446.506 6.456 0 40 IKAB CCCCn1c(CNC(=O)C23CC4CC(CC(C4)C2)C3)nnc1SCc1ccccc1 9390943 SXOZRVNRQWNQTO-UHFFFAOYSA-N 438.641 5.203 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)NCCc3ccccc3)c3ccccc32)c1 9394438 GEPOAYPUONLVJK-UHFFFAOYSA-N 428.601 5.757 0 40 IKAB CCOc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 9449731 OSHKOTWYEHEBOQ-UHFFFAOYSA-N 434.971 6.798 0 40 IKAB COc1ccc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 9548834 UJQWBPIWWDDBBP-KRWDZBQOSA-N 445.544 5.455 0 40 IKAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2cccs2)on1 9597887 YAYKVURMHKCMNQ-UHFFFAOYSA-N 447.347 5.824 0 40 IKAB Cc1ccccc1Cn1c(C)c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc21 9635711 OGNUXFUWHCNRQF-MYYYXRDXSA-N 435.552 5.077 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1 9646134 VRBMUAROTRQOMA-NSHDSACASA-N 434.974 5.123 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-n1cccc1)Nc1ccc(Cl)cc1 9707913 FSUQKZIBOMJKAD-UHFFFAOYSA-N 444.347 5.096 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 9885116 AXTSIBOQKPWFEK-QHCPKHFHSA-N 427.573 5.663 0 40 IKAB COc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)cc1OC 9908145 DEQPGZMPKAYNNJ-UHFFFAOYSA-N 445.544 5.287 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C 9910622 PEBHBEBEHINJLA-HOCLYGCPSA-N 429.611 5.014 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ncnc3sccc23)cc1 9952060 QTSCJUXVJMDAMQ-UHFFFAOYSA-N 427.576 5.087 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 10060175 GUOOLVMZYUMEED-QFIPXVFZSA-N 448.448 5.983 0 40 IKAB COc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)ccc1N1CCCC1=O 11259085 QKWWSHVIHXGSLJ-XMMPIXPASA-N 432.545 5.294 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1 12375865 IVYKASGWBUWEKN-HSZRJFAPSA-N 426.299 5.001 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)O[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc2)n1 12530395 HYHAHFFFHBOEOB-MHZLTWQESA-N 449.510 5.751 0 40 IKAB O=C(Nc1ccccc1)C1CCN(c2ncnc3scc(-c4ccc(Cl)cc4)c23)CC1 12695242 CYWHJHHMFFALKJ-UHFFFAOYSA-N 448.979 5.867 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)n1 12938114 VQUFLPCKDSVVNH-LLVKDONJSA-N 430.530 5.161 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1CSc1nc2ccccc2o1 13014913 RCHBMSGTOJVDAC-UHFFFAOYSA-N 429.545 5.973 0 40 IKAB C[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13709909 CSYPDFRIKWOINO-FQEVSTJZSA-N 434.967 5.041 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2F)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 13942611 GHGLTTGCTQANCZ-UHFFFAOYSA-N 434.511 5.515 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 14269864 HJELXCSMOYVALE-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 15412377 LAUIHJGMLITEMF-DXCHCPKQSA-N 444.962 5.809 0 40 IKAB Clc1ccc(COc2cccc(CNCCc3c[nH]c4ccccc34)c2)c(Cl)c1 16525356 VGRWTZNFELFZDF-UHFFFAOYSA-N 425.359 6.386 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccc(F)c(Cl)c1 17101351 UZRTZJYHTUOJMO-UHFFFAOYSA-N 437.490 5.265 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4ccccc34)cc2Cl)CC1 17101850 DLGADGFYEYNIFU-UHFFFAOYSA-N 437.996 5.856 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373075 AOFOSOZXHKJOEF-RBBKRZOGSA-N 439.563 5.345 0 40 IKAB COc1ccc(Nc2ccc(NC(=S)Nc3cc(OC)c(OC)c(OC)c3)cc2)cc1 19630017 SMORDLNLDXAPDF-UHFFFAOYSA-N 439.537 5.274 0 40 IKAB C[C@@]12CCN(C(=O)C3CCCC3)[C@@H]1CCCCC(=O)N2Cc1ccc(C(F)(F)F)cc1 19713689 SGMFWAALFLRCRH-NFBKMPQASA-N 436.518 5.158 0 40 IKAB COc1ccc(CNC(=O)c2c(-c3ccc(Cl)cc3)c3cc(Cl)ccc3n2C)cc1 19894322 DYDSGUXSZWOEMM-UHFFFAOYSA-N 439.342 6.091 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 21005569 YCBJWAISTHZQFE-QHCPKHFHSA-N 429.907 5.679 0 40 IKAB Cc1cc(-c2nc(C)sc2CC(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)c(C)s1 25050189 SBUJHGIZDRJBCZ-GFCCVEGCSA-N 438.540 6.236 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 25276594 MRLSCHYBOVZUKZ-MDZDMXLPSA-N 438.484 5.044 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(OC(F)(F)F)cc1 31952013 IKCCANNBQLTDCY-GFCCVEGCSA-N 440.368 5.328 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127051 KRXHKPKZMQMCNP-UHFFFAOYSA-N 437.524 6.083 0 40 IKAB CCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OC 33662655 UMTQQIMWJAJUTM-UHFFFAOYSA-N 428.326 5.330 0 40 IKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 38204419 JBRNEVFTJPFTDM-VDDKRMBASA-N 428.482 6.402 0 40 IKAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 44918397 NMTMLXRWZKWXKX-OAQYLSRUSA-N 447.406 5.624 0 40 IKAB Cc1nc2ccc(Cl)cc2cc1C(=O)NCc1ccc(N2CCc3ccccc3C2)nc1 48312323 MNNXYMNNSDQEIB-UHFFFAOYSA-N 442.950 5.084 0 40 IKAB Cn1c(NC(=O)COc2ccc(C3SCCCS3)cc2)nc2cc(Cl)ccc21 63981988 NEHUYZVDUQYILX-UHFFFAOYSA-N 433.986 5.113 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CCC1 72215539 GFGXNQNFCCTILZ-JOCHJYFZSA-N 435.568 5.743 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2nc3ccccc3n2C(C)C)C1 72352488 KIYUKUXXJUPXHF-KRWDZBQOSA-N 432.593 5.181 0 40 IKAB O=C(NC1CCCC1)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1 84387991 QBQQFXSLEWDWOX-UHFFFAOYSA-N 447.149 5.620 0 40 IKAB COc1ccc(C2(C(=O)Nc3cc4c(cc3Br)OCCO4)CCCCC2)cc1 95385677 POHPWGITXQQCFH-UHFFFAOYSA-N 446.341 5.070 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 102728693 IYGHJVDWDNIWHR-WAIKUNEKSA-N 432.476 5.314 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 223302108 CLFYLNFNUNSYAJ-XMMPIXPASA-N 446.591 5.249 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 223302477 UCEOYOOHGWMXBH-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223315600 SACAOULGSAVZSI-OAQYLSRUSA-N 447.044 5.463 0 40 IKAB O=C(NCCOc1cccc2ccccc12)C1CCN(Cc2c(F)cccc2Cl)CC1 223555523 WYPKZIAIVRKYDY-UHFFFAOYSA-N 440.946 5.040 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC1CCCC1 223976722 CJNSOFKOEJLHAK-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224101690 ZHMSRDUROVJWGG-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 224118228 JKNSZHXFECNNBF-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 224212175 ARBJCSIHFNWXGS-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028270 MRRDGEYSJBYBHW-DHIUTWEWSA-N 437.996 6.219 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCC3)c2)N1CCCNc1ccccc1 225058828 AKZJRWSUHPGHMH-LOSJGSFVSA-N 445.636 5.473 0 40 IKAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225064191 MJOYAZIFSXUOHF-QHCPKHFHSA-N 442.603 5.195 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 225174811 UFHSYTSSRRAVJV-QGZVFWFLSA-N 444.000 5.148 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@H](C)C4)cc3)CCCC2)cc1 225512986 ULIBBUFZYMCXHC-GOTSBHOMSA-N 434.624 5.802 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)C2CCCCC2)c(C)c1 408605303 GBCVAEBSAFURBJ-UHFFFAOYSA-N 448.673 5.164 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 408671010 RPVWZYYBNFBLQO-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3C)n2)cc1 408696054 VPJWCZDJUUZXFK-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COC(=O)c1ccc(C)c(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)c1 409130477 IAHYEUPOZFXSHF-FYJGNVAPSA-N 439.533 5.658 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1 409133333 SJSVAUWQTWTSNA-UHFFFAOYSA-N 428.473 5.049 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409181354 BPASHZSZPFFCFB-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1ccc(-c2c(C)s/c(=N\C(=O)C(c3ccccc3)c3ccccc3)n2C)cc1 409194026 KIKUQLRYTVHPCZ-DQSJHHFOSA-N 442.584 5.720 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1Cl 409201108 NRJBGVLMMHINIA-UUYOSTAYSA-N 438.310 6.225 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2)nc1-c1ccc(OCC)cc1 409205183 OIUIZICUPIXRDH-UHFFFAOYSA-N 436.577 6.071 0 40 IKAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(-n3ccnn3)c2)c1 566997897 JBGMCAUUKLTEQW-DQEYMECFSA-N 439.519 5.039 0 40 IKAB CC(C)(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570679 OBTBZKVRLGEEIT-UHFFFAOYSA-N 440.672 5.549 0 40 IKAB CC1(C)CN(c2ccccc2)C(=O)[C@H]1OC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 688158 LJQCICPMTOGJIE-OXCWCCTGSA-N 437.539 5.269 0 40 IKAB O=C(N/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)N1CCCCC1)c1ccccc1 823323 GUADSYAODKHDMT-LKUDQCMESA-N 426.516 5.262 0 40 IKAB COc1ccc(-c2nsc3c(SCC(=O)Nc4ccc(C)cc4C)ncnc23)cc1 902738 PRGUHVDASHSEPZ-UHFFFAOYSA-N 436.562 5.110 0 40 IKAB O=C1O[C@]2(c3ccc(Br)cc3)[C@@H](OC(=O)C23CCCCC3)C12CCCCC2 1075653 IBGURYAQEKKAFD-HTAPYJJXSA-N 433.342 5.028 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1cccs1)C(=O)c1cccs1 1333463 ICXWLJWDPLWKOH-HXUWFJFHSA-N 444.647 5.704 0 40 IKAB COc1cc2c(cc1OC)-c1c(C)c3ccc(OC)c(NCc4ccccc4)c3c[n+]1CC2 1564412 VUVHUONREYFPAJ-UHFFFAOYSA-O 441.551 5.297 0 40 IKAB O=C1C(Nc2ccc(F)cc2)=C[C@@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 2061319 IXMWLMVYJNUPNO-NRFANRHFSA-N 441.275 5.811 0 40 IKAB CCOc1ccccc1C(=O)N1c2ccc(F)cc2-c2c(ssc2=S)C1(C)C 2091960 PCIAWDRKHXQIJE-UHFFFAOYSA-N 431.579 6.639 0 40 IKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 2177495 MVOPESAGXIYHJG-WXPCENJTSA-N 436.382 7.111 0 40 IKAB COc1ccc([C@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2274851 ASUMFZVKBIBPGG-AREMUKBSSA-N 445.455 7.157 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccc(Cl)cc2)s1 2327744 OKSUJSAEMWDEPX-UHFFFAOYSA-N 425.366 5.922 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cc(C)cc2Cl)cc1 2337046 IUGYFSLHTAQQEG-UHFFFAOYSA-N 434.923 5.421 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCc4c(Cl)cccc4Cl)ccc23)cc1 2377094 CRKMIFYRZXMUPB-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2cc(O)cc(O)c2)c1-c1ccccc1S 2573872 DKRPPPYQXUFIBM-UHFFFAOYSA-N 431.296 6.134 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 2649880 VIXLSWMMRJHAKI-CYBMUJFWSA-N 439.591 5.525 0 40 IKAB O=C1/C(=C/Nc2ccccc2F)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3197968 XOLOJSUJWPEZBP-QGOAFFKASA-N 426.369 5.485 0 40 IKAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3293708 TXELXYZFINELNJ-UHFFFAOYSA-N 436.419 5.920 0 40 IKAB COc1cc(/C=C/C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC 3372630 XMTODLZRWLZALK-NTEUORMPSA-N 438.520 5.199 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636621 OAIYXZBHZNZRGH-VGSWGCGISA-N 448.588 5.376 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 3851765 YQABJZDZFGKJGZ-BGACZQCLSA-N 425.956 6.483 0 40 IKAB biogenic CCN(CC)CCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 5695201 QVJOBXGBDOZIBZ-UHFFFAOYSA-N 429.659 5.327 0 40 IKAB COc1cccc(CN(C[C@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 6051579 DTGUXZWHHOWIRO-IPOSCIHWSA-N 435.608 5.214 0 40 IKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2 8430674 MPAPOQFDHBUXDQ-NSHDSACASA-N 442.364 5.516 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 8831970 OTXHQZXZZPOBSD-UHFFFAOYSA-N 440.930 7.677 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 8861284 GULPILMYDJOJSC-UHFFFAOYSA-N 439.355 6.556 0 40 IKAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1ccccc1Cl 8993713 DHILBOLEFGRHHS-UHFFFAOYSA-N 428.271 5.248 0 40 IKAB COc1ccc(CCn2c(-c3ccc(C)cc3)cs/c2=N\c2ccccc2)cc1OC 9067045 FHTULVLKVYENCC-RQZHXJHFSA-N 430.573 6.017 0 40 IKAB COc1ccc(-n2c(COc3ccccc3)nnc2SCc2nc3ccccc3[nH]2)cc1 9124639 BOLPJPXPCXZBCG-UHFFFAOYSA-N 443.532 5.024 0 40 IKAB CCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9307875 AVUHSJBBJHXQCH-NRFANRHFSA-N 430.379 5.657 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(C)cc2)cc1OC 9487664 OQSHKOZTSRYGNO-UHFFFAOYSA-N 431.513 5.506 0 40 IKAB CCc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1 9708830 SLWITBVPRYUXEN-UHFFFAOYSA-N 445.354 5.065 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cc1 9729531 LZEQBVMMDOGDNM-UHFFFAOYSA-N 427.957 5.697 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccccc2F)nc2c(oc3ccccc32)c1=O 9751227 ZRVYQLMHPIAVPB-UHFFFAOYSA-N 439.512 5.059 0 40 IKAB O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 10013880 SMKNEWPCJXBHSH-NZQKXSOJSA-N 433.305 5.202 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1OC 12185663 AWESESYWKXSEJF-QHCPKHFHSA-N 449.551 5.435 0 40 IKAB CC(C)(C)c1ccc(OCc2nnc3n2N=C(c2ccc(OC(F)F)cc2)CS3)cc1 12401119 RYGOQDCDYWTPPR-UHFFFAOYSA-N 444.507 5.114 0 40 IKAB CCCCCCc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccccc2)cc1 12419804 YNXHTLFSGHLFKY-UHFFFAOYSA-N 443.543 6.101 0 40 IKAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 12557984 AELIIVQRFVIIDR-ZIAGYGMSSA-N 432.952 5.046 0 40 IKAB COc1ccc(Oc2cc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)ccc2OC)cc1 12675070 JJHVEYHTQGAFMG-GOSISDBHSA-N 446.503 5.026 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)c3cc(Cl)ccc3O)c2c1 12708157 NDGNPMVDYWIMSL-UHFFFAOYSA-N 436.920 5.639 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3C)C2)c2ccccc12 12768956 KJZCRTBHBBGQSK-QGZVFWFLSA-N 436.939 5.301 0 40 IKAB CCn1c(-c2cccc(Cl)c2)nn(CN(C)Cc2nc3ccccc3s2)c1=S 12993417 BFBHIFGDQNHYFJ-UHFFFAOYSA-N 430.002 5.454 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1C 13058739 FMZHLCDGPJECMI-RHGYRFJNSA-N 434.605 5.816 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 13118146 WXEBEUJYQHQYJE-MYSGNRETSA-N 428.941 5.344 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(c2ccccc2F)CC1 13893152 VEHHTEMCKPVXNL-UHFFFAOYSA-N 445.925 5.657 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(Br)cc1F 14271058 VCPLWVSRSFQPER-QHHAFSJGSA-N 448.144 5.421 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cc4ccccc4o3)c2)c1C 14405423 BITLOTCQQNZUFK-UHFFFAOYSA-N 430.508 5.551 0 40 IKAB CC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 14607265 VRFXGUPNMCVBFM-DFBJGRDBSA-N 434.561 5.077 0 40 IKAB COc1ccc(CCNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 16216564 XLZPWEGQJOOLAH-UHFFFAOYSA-N 431.963 6.413 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2O)S1 16754528 FGZKZBVQBIGZJA-LNEOCIKXSA-N 441.512 5.087 0 40 IKAB Cc1ccccc1NC(=O)Cn1nc(CSc2ccccc2)n(-c2ccccc2)c1=S 16769461 IADIQEUXNJPLSR-UHFFFAOYSA-N 446.601 5.643 0 40 IKAB Cc1ccc(CNC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 16840678 NOGIOWIRKVNZSQ-UHFFFAOYSA-N 438.556 5.266 0 40 IKAB CCc1ccc(NC(=O)[C@H](CC)n2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 16895646 NURTWFMRKOKGTO-QFIPXVFZSA-N 445.588 5.894 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 17095989 YKHNYFMZVPJELW-UHFFFAOYSA-N 428.536 5.641 0 40 IKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)c1 17096954 PGSBILQJANPMRR-UHFFFAOYSA-N 430.504 6.161 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3C)o2)cc1Cl 17097201 AELHZBYULTXXIF-JXMROGBWSA-N 430.729 6.631 0 40 IKAB Cn1c(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc2cc(F)ccc21 19289731 PZPCKPXFTICWKZ-UHFFFAOYSA-N 444.432 5.232 0 40 IKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(Cl)cc(Cl)c1OC 19314591 XOPVYAKZUFVSAS-SFHVURJKSA-N 438.351 6.009 0 40 IKAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19449398 OKGUFKLIIIZCAT-SANMLTNESA-N 432.589 5.015 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccccc1Cl 19631348 GYKCDVMBFOGVGQ-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 19646679 VGDSRFBJXVOWLK-LSDHHAIUSA-N 447.940 5.239 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1C 19946862 TVEXPOHPPDGUGO-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1Cl 20573792 WVUZVIKOLIRPFA-DEOSSOPVSA-N 434.948 5.128 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20969939 JSOKVDJPEABERO-QFIPXVFZSA-N 432.886 5.756 0 40 IKAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccccc1Cl 22112391 IHSNVAFZAGZGMZ-UHFFFAOYSA-N 439.368 5.277 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 22533969 GCFKZSYLXSDEPJ-QGZVFWFLSA-N 434.511 5.782 0 40 IKAB O=C(c1ccccc1-c1ccc(C(F)(F)F)cn1)N1CCN(c2ccc(Cl)cc2)CC1 22996647 ULSXPADURVBAOI-UHFFFAOYSA-N 445.872 5.383 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(=O)c1cccs1 25053162 BDVMPGFBYSPOIW-UHFFFAOYSA-N 442.544 5.216 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc2scc(-c3cccs3)c2c(=O)[nH]1 25461914 OWUFLDKPORAPPB-UHFFFAOYSA-N 436.389 5.652 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 30861646 MJEIMNDSEMRGCV-YKSBVNFPSA-N 430.548 5.591 0 40 IKAB Fc1ccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)cc1 33262451 JZNNOEDJYAIIJR-UHFFFAOYSA-N 443.301 5.388 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(C)c3C)cc1)=NCC2 33642565 ZZVPRTUKPYPCDK-UHFFFAOYSA-N 443.547 5.553 0 40 IKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 34835235 BRXYMNMIOWGRMW-GQCTYLIASA-N 446.124 5.831 0 40 IKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)c1 35645323 QCPDXYIXSRCUDP-OEAKJJBVSA-N 448.975 6.618 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C1O 36596525 MTZKOBDCISCBKC-JPYJTQIMSA-N 443.503 5.084 0 40 IKAB COc1ccccc1CN1COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C1 57327418 YPDHMNUFKNIKFI-UHFFFAOYSA-N 427.500 5.053 0 40 IKAB biogenic Cc1cccc(C)c1NC(=O)c1nnn(Cc2nc(-c3ccc(Cl)cc3)oc2C)c1C 57511198 SWHWOHIUHWRDNQ-UHFFFAOYSA-N 435.915 5.121 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 57774936 MBBXLSLAMVTEEZ-QGZVFWFLSA-N 426.486 6.452 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 58010900 HZWDHDKOFJCOBK-WOJBJXKFSA-N 447.604 5.368 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OC(=O)c1ccccc1Br 59392054 OTZOBNUXIZYUHQ-RGEXLXHISA-N 448.272 5.013 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349841 UOCAFAVLIFSJHH-MRXNPFEDSA-N 431.483 5.552 0 40 IKAB COc1ccccc1CNC(=O)c1ccc2onc(-c3coc(-c4ccc(C)cc4)n3)c2c1 96037808 PKSQYVMCSGQFSV-UHFFFAOYSA-N 439.471 5.397 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119637 MUKWSDOWIPOKFH-UHFFFAOYSA-N 448.910 5.172 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2cnc(C(C)C)nc2)CC1 100657938 PLGZKVPBQIMWGI-IZAXUBKRSA-N 436.625 5.238 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(F)cc1 100891431 FBOXTCORMNLVAT-OAQYLSRUSA-N 445.885 5.379 0 40 IKAB CCOC(=O)c1ccc(/N=c2/scc(-c3ccc(Cl)s3)n2CCC(C)C)cc1 103370309 PRDAWMRZVYMIKA-XTQSDGFTSA-N 435.014 6.387 0 40 IKAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(Cl)c1 109036235 QLVGNXFRBZNPGF-UHFFFAOYSA-N 428.728 5.351 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222845554 XDMUUKMZFMTPLQ-PMACEKPBSA-N 429.998 5.860 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 223374753 CBQJTVITEXIMMD-DQEYMECFSA-N 439.588 5.057 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 223975488 WERUTRRVBVTLAU-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224018123 BLVLPQWITQRJMJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224172987 KBIPDKKEJPGTGL-UHFFFAOYSA-N 440.540 5.335 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1C 224373142 ULKJEXFOXLGLRQ-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 224440774 PBOXQNNBVLUPDP-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)cc1 224496820 QXTXJDRZSGOOEF-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccccc3)cc2)cc1Cl 224534504 FMPBINSKAGGBNR-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 224728261 LHOGSNZFRXLACE-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCSc1ccc(Cl)cc1 225408059 RBPATRLEVQECCC-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 225582772 SVSNZPXPYQWIQK-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 225643525 HHZNTIGCDHZAKP-CVDCTZTESA-N 444.616 5.089 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@@H]2C)n1)c1ccccc1 225961459 ATATVMDSBWZSGM-OALUTQOASA-N 447.608 5.695 0 40 IKAB CCC(CC)C(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 257285777 PIVLBYRBXXEBEG-VWLOTQADSA-N 449.035 5.166 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCCCC3)c2)cc1 408549959 ABXCALXKHWLHFV-UHFFFAOYSA-N 428.598 5.201 0 40 IKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408562275 OOINOAPQAPNJPG-SGEDCAFJSA-N 430.548 5.943 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408578577 YWUUQTVLMZXIGJ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408699866 ZUOBDRRJVGZERB-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1Cl 408737931 PZYQCAXMMMMDAV-OXJNMPFZSA-N 432.948 5.086 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccccc1Cl 409111236 BNRIZOZUIYUMGL-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@]1(COC(=O)C1)O2 504379583 CVOGMLCVYFNXLE-SYZCRIRHSA-N 440.580 5.188 0 40 IKAB biogenic CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 823206 TWBJPYZUBKVQNU-MJGOQNOKSA-N 439.364 5.595 0 40 IKAB CCc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@@H]3C(F)(F)F)cc1 884021 BNAOLJOYKDZGIQ-WOJBJXKFSA-N 444.457 5.367 0 40 IKAB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Br)cc1 888124 NPXVILDKMVYMCG-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)c2ccc(Br)cc2C1=O 990333 SIKQZRVMFHTNSB-UHFFFAOYSA-N 440.680 5.134 0 40 IKAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1238232 AOFQYCVFXVRQCJ-UHFFFAOYSA-N 435.524 5.199 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 1326266 XWROPACHOFJTKW-CYBMUJFWSA-N 427.595 5.172 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)ccc(C)c3nc2Cl)C(=O)C2CC2)cc1OC 1339445 ASDKZXQOVVNXSB-UHFFFAOYSA-N 438.955 5.461 0 40 IKAB COc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccccc3)c(=O)[nH]c2c1 1366698 YRHQVRHRKBNOJL-UHFFFAOYSA-N 432.907 5.033 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)cc2c1 1371553 UDUOPCAYQWYSAA-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Fc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 2690601 FJGXQGVTFIDNRE-UHFFFAOYSA-N 429.426 5.301 0 40 IKAB CCCCc1ccc(NCC(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)cc1 2887736 XKZJSIQOROXDGX-UHFFFAOYSA-N 447.526 6.146 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)cc1Br 3235321 OSGPUEBCRSJKGG-UHFFFAOYSA-N 437.946 5.700 0 40 IKAB CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C 4289017 VNGFAWSISVJGAU-UHFFFAOYSA-N 431.310 5.092 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 8746535 VBEOLRDGEXSDFD-UHFFFAOYSA-N 427.548 6.412 0 40 IKAB O=C1c2c(Cl)cccc2C(c2cccs2)(c2cccs2)c2cccc(Cl)c21 8751569 AGBMSAGSSCMHSD-UHFFFAOYSA-N 427.377 7.044 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1 8875941 XDPLCRZMDSDRSE-UHFFFAOYSA-N 447.589 5.318 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C)c(C)n1CCC1=CCCCC1 8896559 SEWKYKWYBKEGPT-UHFFFAOYSA-N 435.597 5.161 0 40 IKAB Cc1ccc(OCCOc2ccc(Cl)c(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 8958833 AOFDEQQKBNLHKW-XQNSMLJCSA-N 447.918 5.759 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)cc1OC 9044704 WCAQBBZZXCBAQZ-NRFANRHFSA-N 438.886 5.488 0 40 IKAB Brc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 9158932 DOKAEKGYMXCJKA-XXBNENTESA-N 449.304 5.420 0 40 IKAB CCOC(=O)C1=C(C)N=C(NC(=O)c2ccc(Cl)cc2)S[C@H]1c1ccc(Cl)cc1 9319358 DVRIMPNGXQHWDD-SFHVURJKSA-N 449.359 5.404 0 40 IKAB COc1ccc(-n2nc3c(c2NC(=O)c2ccc(-c4ccccc4)cc2)CSC3)cc1 9363792 JEJGRRQLLGWNOF-UHFFFAOYSA-N 427.529 5.547 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(C)ccc4n3)cc2)cc1 9363888 ZUHCVIZTHQQUKD-UHFFFAOYSA-N 444.538 6.910 0 40 IKAB c1ccc(CSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCC4)cc1 9375528 LLFDHERDCONDRR-UHFFFAOYSA-N 425.582 6.688 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3cccc(OCc4c(C)noc4C)c3)s2)cs1 9514782 IKEWEOSOVOAMLK-UHFFFAOYSA-N 439.562 5.294 0 40 IKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccc(F)c1 9539596 XWYNUMUDCWUTRF-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 9556568 CAIGJJCKXNGBHG-NRFANRHFSA-N 446.528 5.405 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)n2C2CCCCC2)cc1 9729936 BWHSEWJHDCIGCM-ROUUACIJSA-N 442.629 5.341 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H]2C[C@H](C)OC2=O)c(C)c1 9870982 QASVENCJUYSPON-FDDCHVKYSA-N 443.572 5.424 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCCC2 9910546 AFZLMXCSVVJMSA-UHFFFAOYSA-N 438.014 5.968 0 40 IKAB COc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccs1 9962719 LPZRBAZXDPMSEU-UHFFFAOYSA-N 446.557 5.461 0 40 IKAB CCOc1ccc(-n2c(SC[C@H](O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 11811436 ZZSOKTMVCVEKTR-QHCPKHFHSA-N 447.560 5.167 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)cc1 12192353 GNABHKPXYBDHEA-PQHLKRTFSA-N 448.566 7.261 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 12478412 QIYPAYYTGDZAIK-VWLOTQADSA-N 430.548 5.421 0 40 IKAB CCOc1ccc2nc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)sc2c1 12541733 ZZVQPLKGFINQGS-KWJFTMPMSA-N 430.639 5.508 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 12792819 WUSYGXRAOPQFAB-QFIPXVFZSA-N 440.902 5.110 0 40 IKAB COc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c1OC 12821241 QQAGRROAVOBIBK-UHFFFAOYSA-N 426.516 5.500 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(/C=C/c2ccc(F)cc2)[nH]1 12910505 NGQUCMBPLSUNAC-FMIVXFBMSA-N 425.920 5.554 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc4ccccc4n3)sc2-c2ccc(C)cc2)cc1 13145543 WEPZZRROHQJDBU-UHFFFAOYSA-N 435.552 6.894 0 40 IKAB CN(c1ccc(OC(=O)Nc2ccccc2)cc1)S(=O)(=O)c1ccc2ccccc2c1 13150355 AXYQHVSPIUYRRG-UHFFFAOYSA-N 432.501 5.276 0 40 IKAB CCCCc1ccc(CC(=O)Nc2nc(-c3ccc(CNC(C)=O)s3)cs2)cc1 14198256 GTPUIANWAKATGQ-UHFFFAOYSA-N 427.595 5.032 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)c1cc(Br)ccc1Cl 14272107 SXGVQCDARLCYIK-UHFFFAOYSA-N 442.700 5.866 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1 14272180 MQOANNHBAFZHBC-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB O[C@H](COCc1ccccc1Cl)CN(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 16050335 YTCCARMXMPGYCF-LFCNWEHWSA-N 446.056 5.750 0 40 IKAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(Nc4ccc(Cl)cc4)c(Cl)c1=O)(C3)C2 16428702 QFSGAXGGXHAPEK-NAZSJPOASA-N 448.350 5.064 0 40 IKAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12 16780476 ZDRUQDITMPHCGR-UHFFFAOYSA-N 433.360 5.101 0 40 IKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)Nc1cccc(F)c1 17094272 FYPMMFZMBMZASG-UHFFFAOYSA-N 425.290 6.908 0 40 IKAB O=C(CSc1ccc(Cl)cc1)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17095610 SCGASNORSHFANB-UHFFFAOYSA-N 427.736 6.742 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(OC)cc1Cl 17097805 JHPLQVVYOYHMFW-VQHVLOKHSA-N 432.303 6.231 0 40 IKAB CCCCOc1ccc(C(=O)N(Cc2ccncc2)c2ccc(C(=O)OCC)cc2)cc1 17097992 LXSVNGFRHHNAKT-UHFFFAOYSA-N 432.520 5.284 0 40 IKAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 17099384 OQYYAFXDHASULN-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB C[C@@H]1CCN(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2S1 17525465 OUYYMYUADJOXNR-MRXNPFEDSA-N 428.985 5.110 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)c2cn3cccc(C)c3n2)n1 19691911 UPKXYYXNNXYVAF-DEOSSOPVSA-N 428.511 5.053 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(F)c(Cl)c5)o4)cc3n2)cc1 20609970 XVILBSWBPMCBJL-UHFFFAOYSA-N 446.869 6.034 0 40 IKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(CC(c1ccccc1)c1ccccc1)CO3 20610434 RTMQDMIVTBPSHG-UHFFFAOYSA-N 439.555 6.038 0 40 IKAB biogenic CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 21005733 ONJNQUKWZPPRPF-HSZRJFAPSA-N 447.897 5.818 0 40 IKAB C[C@H](NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1 22074144 BIDJWOPUXJQJJU-SFHVURJKSA-N 436.382 7.576 0 40 IKAB CCOc1cc2c(cc1CNC(=O)c1c(-c3c(F)cccc3Cl)noc1C)O[C@H](C)C2 24317401 LBEFMDNAKZUZGI-GFCCVEGCSA-N 444.890 5.095 0 40 IKAB CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 27028402 VYQSWCMHPGPKHF-UHFFFAOYSA-N 429.589 5.705 0 40 IKAB COc1ccc(C(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1Br 31317430 DHILFPGFUIYMCY-UHFFFAOYSA-N 428.248 5.281 0 40 IKAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 31337019 UAJVFUDZDNRVOJ-GFCCVEGCSA-N 439.289 6.079 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3cccc(Cl)c3)sc2NC(=O)c2ccco2)cc1 32624643 KXPJIQGMFMIMSO-UHFFFAOYSA-N 437.908 5.870 0 40 IKAB CCCCOc1ccc(-c2cc3c(N4CCN(c5ccccc5F)CC4)nccn3n2)cc1 33048711 XNNDCEYDUYFZAG-UHFFFAOYSA-N 445.542 5.041 0 40 IKAB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)N=C1O 33717402 SJVKSMVCYUNGKW-QGOAFFKASA-N 428.872 5.034 0 40 IKAB COc1ccc2o/c(=N\c3cccc(C(F)(F)F)c3)c(-c3nc4ccccc4[nH]3)cc2c1 33786997 WTQZQPJVQJEJOM-NFFVHWSESA-N 435.405 6.236 0 40 IKAB CC1(C)[C@@H](C(=O)N[C@H](Nc2ccc(F)cc2)C(=O)c2ccccc2)[C@@H]1C=C(Cl)Cl 35047396 IFWQEPZBUQMECD-HQRMLTQVSA-N 435.326 5.154 0 40 IKAB O=C(CN1CCC(C(=O)c2ccc(Cl)cc2)CC1)Nc1ccccc1-c1ccccc1 35315487 FXNNIYOIKFHWIA-UHFFFAOYSA-N 432.951 5.540 0 40 IKAB c1ccc(CNc2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)cc1 36006875 LUTBOCKXSLDGNR-UHFFFAOYSA-N 429.593 5.721 0 40 IKAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)Nc1ccccc1C(F)(F)F 38488566 VYWWYLFNOVZBGF-UHFFFAOYSA-N 432.471 5.364 0 40 IKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(CN2CCCCCC2)cc1 38854600 LGWBIUKWSKSEML-UHFFFAOYSA-N 433.596 5.377 0 40 IKAB Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 40142332 KEBQQDZWMITXFU-UHFFFAOYSA-N 442.894 5.030 0 40 IKAB O=c1c2cnc3c(-c4ccccc4)cnn3c2ccn1CCc1c[nH]c2ccc(Cl)cc12 40387744 CGFPPOVNWMYEHQ-UHFFFAOYSA-N 439.906 5.089 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccsc3c2=O)c1 57488311 YBFIYGMOUSZMAJ-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 72215590 PNDLBKHTDFZACA-HXUWFJFHSA-N 445.604 6.228 0 40 IKAB CC(=O)Nc1cccc(-c2cccc([C@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349037 SYJKHUORCVYOQD-QHCPKHFHSA-N 427.548 5.046 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)Nc3cccc(CN4CCCC4)c3)sc3ccccc23)C1 72352643 GAOFMGONUJYGJG-HXUWFJFHSA-N 447.604 5.085 0 40 IKAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCCc3ccccc3)sc3ccccc32)CC1 100658101 YNXCFNHREWUGMX-OYRHEFFESA-N 434.605 5.284 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 102139158 LXADYUVYYAOLCY-OWVDYMSYSA-N 426.299 5.343 0 40 IKAB COc1cc([C@@H]2Nc3nonc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)ccc1O 102743966 ARMOYIVKYFSWTF-XCLFUZPHSA-N 438.871 5.066 0 40 IKAB Cc1ccc(Cn2cc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)c3ccccc32)cc1 106681314 OZRFGDQSGINUSG-MYYYXRDXSA-N 438.552 6.235 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724986 YRAGKIXVLWXHGT-YQNUULROSA-N 446.366 5.863 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)[C@@H]2O 118914037 KUZBETODCMAEND-BFPCNSFMSA-N 444.562 5.966 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 223220437 XNTXNMRDPNYADI-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 223677404 CQKNGDSXLNVQOO-QHCPKHFHSA-N 440.653 5.242 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223806781 ZZSGGSUDJAHTFP-HSZRJFAPSA-N 429.004 5.223 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224030622 WBZQSQUZIMARMJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)c1 224231392 MDLRSSDXYIPXPA-UHFFFAOYSA-N 435.520 5.667 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C 224507964 ANAWSEPXYWRUNM-FQEVSTJZSA-N 431.576 6.453 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224539580 UYOIORLTBQSCHO-DQEYMECFSA-N 440.572 5.366 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 224575386 DZWCUURLTPCAGX-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224625417 XOAHBQPZIWCMNX-GOTSBHOMSA-N 443.597 6.421 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1cccc2ccccc12 224629703 XFHVKNBMPRRZLI-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 224643612 PQKLOYMIWUKBSM-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 224811806 DELYOMPRPKKERI-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225307030 RWJAEQZPBPSSTO-NRFANRHFSA-N 435.395 5.178 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCCC2)c1 225539797 AHYFOYBNDOKCNK-HSZRJFAPSA-N 434.624 5.946 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c(C)n1 225870790 ZUVUOARGULXYBF-UHFFFAOYSA-N 435.395 6.716 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@@H]1c1ccccc1C 226779802 PXNRGCWBDZMFPL-RUZDIDTESA-N 449.554 5.900 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@H]2O 253617047 IVXHYDUXTYURSY-RDFYZOSUSA-N 446.553 6.383 0 40 IKAB O=C(N1CCC[C@@H](Cc2cncc3ccccc23)CC1)C1(c2ccccc2F)CCOCC1 257210007 BSSYYDRGHWYEKA-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(Br)ccc2O)C1 257226387 FKLFMYGMGPKGNH-QKNQBKEWSA-N 436.321 5.172 0 40 IKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4ccc5c(c4)CCCN5C)C3)nc2)c1 257312295 UNGINEXTDUISEL-AREMUKBSSA-N 439.603 5.383 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(F)c3)cn2)ccc1F 257313313 URTZCGCWURWANX-AREMUKBSSA-N 434.530 5.945 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1NC(=O)c1ccc(Cl)cc1 408552476 PZRPUFYRWQPSTO-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)c1ccc(OC)cc1 408595081 KHPQGFCCLFZCIL-UHFFFAOYSA-N 433.533 5.014 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc(Cl)c1OCC 408618149 DQZOMWYGZYUDPP-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2cccc(Cl)c2C)cc1 408693682 BUJWNDQUIHJYHF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2cccc(Cl)c2)cc1Cl 408697827 JYPVYLYRDWZTSZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 409054355 VCUPHVKFJLYSJF-UHFFFAOYSA-N 431.369 7.098 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409058611 TZKWAXAWGLWSSW-UNOMPAQXSA-N 436.360 6.409 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 409167202 HPLOEWCZAAOHIS-UHFFFAOYSA-N 449.605 5.052 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409255283 GWRDYFLWNQLIDW-UHFFFAOYSA-N 441.325 5.087 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2CC)cc1 409334297 WQSOZCMUIVKMEO-UHFFFAOYSA-N 446.576 5.323 0 40 IKAB COc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)ccc1OC(C)C 409342750 HFZZYHQUZYPWEQ-JAIQZWGSSA-N 445.924 5.055 0 40 IKAB CCc1ccc(CCc2nc(N3CCC[C@@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266117 LNSCKRDQROJYET-HSZRJFAPSA-N 435.955 5.517 0 40 IKAB Cc1cc(NC(=O)c2cc3c(nc2O)CCC(C)(C)C3)nn1-c1cccc(C(F)(F)F)c1 1583501728 RXRVEXMNBNGKRK-UHFFFAOYSA-N 444.457 5.067 0 40 IKAB COc1c(C(=O)Nc2ccc(Cl)c(NC(=O)c3ccccc3)c2)ccc2ccccc12 724242 AAEPQRBCPMSHHY-UHFFFAOYSA-N 430.891 6.006 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 865627 FMHHFDNLURANAG-BZUAXINKSA-N 440.897 5.602 0 40 IKAB Cc1ccccc1NC(=O)c1ccccc1NC(=O)C(O)(c1ccccc1)c1ccccc1 1065490 ZWFDPBQMVNYOKC-UHFFFAOYSA-N 436.511 5.122 0 40 IKAB CCCn1c(S(=O)(=O)Cc2ccc(OC)cc2)nc(-c2ccccc2)c1-c1ccccc1 1388808 ZVUAXXFUHOGKAQ-UHFFFAOYSA-N 446.572 5.610 0 40 IKAB CCCCN(CCCC)C[C@@H](O)c1cc2ccc(Cl)cc2nc1-c1ccc(Cl)cc1 1597061 PREZAHYIZDKGJR-XMMPIXPASA-N 445.434 7.144 0 40 IKAB O=C(COc1c(-c2ccco2)oc2ccccc2c1=O)Nc1ccccc1C(F)(F)F 1978990 PTGGKZQXGYFBLY-UHFFFAOYSA-N 429.350 5.089 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(OC)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2156689 ROZBJNHXNLWGEI-UHFFFAOYSA-N 444.483 5.703 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1F 2218033 UARPWHREUILYMC-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB COc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2249139 IIGQRHGMKPKIEP-VXKWHMMOSA-N 448.935 5.214 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)N1CCC2(CC1)OCCO2 2249347 ATDPCUVKYNBJFO-UHFFFAOYSA-N 443.330 5.188 0 40 IKAB CCOC(=O)[C@@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(C)c1)C(F)(F)F 2300438 OHJBHWHTGYPNLM-QFIPXVFZSA-N 446.425 5.105 0 40 IKAB Clc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)c1 2329693 CHZFUUCZQZAAAQ-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB O=C(CSc1nnc(-c2cnccn2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 2348030 BLTGQTLLCPYBNE-UHFFFAOYSA-N 442.331 5.006 0 40 IKAB Cc1ccccc1-c1c(-c2nnnn2-c2ccccc2)cnn1-c1ccc(Cl)c(Cl)c1 2389188 ZAZGOEFTIBBARV-UHFFFAOYSA-N 447.329 5.797 0 40 IKAB COCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 2409276 QEGCPMLLSBXWFL-UHFFFAOYSA-N 446.642 5.385 0 40 IKAB O=C(O)c1cc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)cc1Cl 2637452 OOGUREKNCNGKHP-UHFFFAOYSA-N 448.633 5.165 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)NCc4ccccc4Cl)cc3)ccc12 2725998 QSRWTRKOCFYUSP-UHFFFAOYSA-N 433.891 5.264 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1cc(C)ccc1C 2889786 XOCRNRTVPRUYGH-UHFFFAOYSA-N 429.925 5.489 0 40 IKAB O=c1c2cc(Cl)ccc2nc(CNc2ccccc2)n1-c1ccc(Cl)cc1Cl 3020463 SAVMUCKWFZBGCH-UHFFFAOYSA-N 430.722 5.958 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](NC(=O)c3ccc(F)cc3)C(C)C)ccc21 3270081 WEXOXXBVJACDCT-DEOSSOPVSA-N 431.511 5.347 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 3326861 SLXNFSBSDWWSMQ-LJQANCHMSA-N 448.522 6.258 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nc(-c3ccccc3)cs2)cs1 3332731 FBYGSOLAXYKQJF-UHFFFAOYSA-N 437.615 6.049 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)c1cc2ccccc2o1)Nc1ccccc1C(F)(F)F 3417587 HAUCNWMJLGTOLH-UHFFFAOYSA-N 442.393 5.326 0 40 IKAB CC(C)n1c2ccccc2c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc21 3669009 GVAQNZHHNRWWKY-UHFFFAOYSA-N 445.470 5.310 0 40 IKAB COC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@@H](C(C)(C)C)C2 4184396 DVIFDLUXHOEXSS-UHPHFRDNSA-N 429.626 5.841 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410488 CZBDKNHDHLSSOT-FXAWDEMLSA-N 432.589 5.256 0 40 IKAB biogenic,in-vitro Cc1cccc(NC(=S)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]32)c1 6912881 ZPKXLQBCQBJDQU-FPNNDXFKSA-N 434.693 7.115 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nc3ccccc3n1C)oc1ccccc12 8684868 ZBXPOEZBBLPVLJ-AWEZNQCLSA-N 431.517 5.601 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1 8831914 YSBMJPGGACBEHK-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(F)c1F 8831954 SBQSMRGUYWWUHN-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB O=C1C[C@@H](c2cccc3ccccc23)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 8920142 RRSJFYKUOYFWPY-DEOSSOPVSA-N 432.548 7.248 0 40 IKAB COc1ccc(C(=O)NCc2nnc(SCc3ccccc3)n2C2CCCCC2)cc1 9390797 IEALSYBDKBSKCK-UHFFFAOYSA-N 436.581 5.014 0 40 IKAB COc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 9391126 WQAWZXGWEGXCDR-HXUWFJFHSA-N 432.376 5.606 0 40 IKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)C(c1ccccc1)c1ccccc1 9404550 NYHMLPUJPDZKPL-UHFFFAOYSA-N 427.525 5.972 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2Cc2ccco2)c1 9497029 PQAVKTZQKKWPGL-UHFFFAOYSA-N 440.366 5.950 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ncc(Cl)cc3Cl)c2n1 9630460 INVVHIXLJUJQIM-UHFFFAOYSA-N 431.106 5.569 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 9669583 GQYQKUFDPQLZDL-HSZRJFAPSA-N 432.520 5.606 0 40 IKAB CC(C)(C)OC(=O)N1[C@@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(Cl)cc1 9850278 YQLUPEABRRTZJK-UYAOXDASSA-N 432.973 5.008 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(Oc5ccccc5)c4)n3)oc12 10748334 SELIUSOVTMWUCB-UHFFFAOYSA-N 442.496 6.610 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(Cl)c2)cc1 12195943 YJZAGXVKNCQZCB-ZEQKJWHPSA-N 448.950 6.380 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)c3ccccc3F)cc2)n1 12220536 CRJYAQZLCLODRC-UHFFFAOYSA-N 426.495 5.398 0 40 IKAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@@H]1C 12657106 SOJJWOFKQNSRPW-CBGDNZLLSA-N 429.944 5.017 0 40 IKAB O=C(CSC1=N[C@H](C(F)(F)F)C[C@H](c2ccccc2)N1)Nc1ccc(Cl)cc1 12848144 BYHXSIPDCNVOCY-CVEARBPZSA-N 427.879 5.033 0 40 IKAB Cc1ccc(-c2nc(CSc3nc(O)c4cnn(-c5ccccc5)c4n3)cs2)cc1 12902991 OGYQQSACTMYYFL-UHFFFAOYSA-N 431.546 5.245 0 40 IKAB Cc1cc(C(=O)COc2ccccc2-c2ccccc2)c(C)n1Cc1ccc2c(c1)OCO2 13138353 CGYYCPGTMRVGLL-UHFFFAOYSA-N 439.511 5.811 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2)Nc1ccccc1 13150006 VQPXBCOGCVBFIY-DYTRJAOYSA-N 448.522 5.907 0 40 IKAB O=C(c1cccs1)[C@H]1C(c2ccc(Cl)cc2Cl)=NO[C@]12C(=O)Nc1ccccc12 13593469 RISIPFOKZDLDST-UTKZUKDTSA-N 443.311 5.136 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13708464 BCHDZTFGHIXQJR-HFESIUDZSA-N 425.572 6.714 0 40 IKAB Cc1ccc(NC(=O)Nc2cc(Cl)c(NC(=O)Nc3ccc(C)cc3)cc2Cl)cc1 16293097 UUWCJGFXJMJXGR-UHFFFAOYSA-N 443.334 6.898 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)cc1Cl 16689165 YAEUEUFZCLCADE-UHFFFAOYSA-N 430.356 7.248 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3o2)c1 17095954 QSIUDPUNYSTLOS-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c(C)c1 17096000 CPYGABMFKHJSLI-UHFFFAOYSA-N 428.536 5.487 0 40 IKAB O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@H]1c1ccccc1 18280844 XKNUGCDRQZPWHO-POYMRFPPSA-N 432.608 5.167 0 40 IKAB COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19235948 YPMYTOKLIJGYTK-BKMJKUGQSA-N 435.612 5.048 0 40 IKAB O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3cccc(F)c3)CC[C@H]21 19293874 BRKUHWDTMSOWMK-DNVJHFABSA-N 438.543 5.157 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373321 SUJFOHVQZLRLHB-QFIPXVFZSA-N 439.563 5.345 0 40 IKAB Brc1ccc(-c2nnc(SCc3cccc(Br)c3)o2)cc1 19927968 UVAJGGKZAGROLI-UHFFFAOYSA-N 426.133 5.554 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 20140169 JDDBQLXGVGKPES-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20735047 PDUVVKJRNNPGLE-LJQANCHMSA-N 438.742 5.076 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1cc2ccccc2o1 21580215 RVJHMXMDKGONJE-UHFFFAOYSA-N 442.500 5.112 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(OC)c1 21595524 RWCYNXFXYKXBEM-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB Cc1cc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)n1C1CC1 24992368 JDEUQTQRLFCQKJ-UHFFFAOYSA-N 443.956 5.146 0 40 IKAB COc1ccccc1C(=O)N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 27016275 XOZVQGZENRYJGY-OAHLLOKOSA-N 425.164 5.567 0 40 IKAB O=C(NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1cccs1 27742116 BIXPHAMUJVJKNN-KRWDZBQOSA-N 425.351 5.554 0 40 IKAB O=C(OCc1cccc(Br)c1)c1ccc(COc2ccc(F)cc2Cl)o1 28578775 GZVCWNCDASSCBF-UHFFFAOYSA-N 439.664 5.771 0 40 IKAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl 30868448 CNMPDLMHLXNHBP-OAQYLSRUSA-N 436.360 5.378 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3cccc(I)c3)sc2c1 32118928 ASRZSVQKTJGPBZ-UHFFFAOYSA-N 436.318 5.496 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(C(=O)COc3ccccc3)c3ccccc32)cc1Cl 33676451 PNXHLQUEOFARES-UHFFFAOYSA-N 432.907 5.504 0 40 IKAB CC1CCN(C(=S)c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)CC1 33850606 KNJVDDZTFVLZDW-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 35042920 KUWJVYINDVGHFG-NDENLUEZSA-N 443.355 6.898 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 35146484 SHRMSEZDZWRPOD-FQEVSTJZSA-N 433.596 5.662 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(Cl)c3)cc1)=NCC2 35238396 QHVOZCHILWDYQG-UHFFFAOYSA-N 449.938 5.589 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(Oc2ccccc2)nc1 40140337 SBNHJKCQPAEXKS-UHFFFAOYSA-N 425.492 5.111 0 40 IKAB Cc1noc(C)c1C(=O)NC[C@@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 40160258 NWMCLTPPTKQCHR-QHCPKHFHSA-N 435.527 6.002 0 40 IKAB C/C=C\Cn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1cccs1 54138370 RBAXEYGMYQYUME-VCDHSQOJSA-N 430.576 5.198 0 40 IKAB CCN1CCN(c2c(Cl)cccc2NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 57312951 PDFOEYLATMNPOZ-WYMLVPIESA-N 435.955 5.394 0 40 IKAB C[C@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58166339 DUKINSFSYPYOFP-KKSFZXQISA-N 433.508 5.587 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@@H](c2cccs2)c2c[nH]c3ccccc23)c1C 58175567 KFLIWZASLSTNTD-OXJNMPFZSA-N 433.577 5.370 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 59179566 AOCBJRYVJOENJU-UHFFFAOYSA-N 425.554 5.374 0 40 IKAB COc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 72328618 NNTCMEJPMAXKMR-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCN(C(=O)c3ccccn3)C2)n1 72374747 FLNQLRNDYRCUHL-LJQANCHMSA-N 425.454 5.024 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CCOc3cccc(F)c3)n2)sc1C 72375665 XNVSLLDOTHRTQF-FQEVSTJZSA-N 440.544 5.170 0 40 IKAB Cn1cc(CC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)c2ccccc21 96358100 LEWUEGAIUSEFDR-UHFFFAOYSA-N 428.517 5.062 0 40 IKAB C[C@@H]1[C@@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 102179940 FSLPMRQHCOLESF-HDUYKXQHSA-N 426.729 8.025 0 40 IKAB biogenic,in-vitro CC(C)CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(F)cc1)CCC2 104723466 SASBLVNADUCESS-RGEXLXHISA-N 446.522 5.180 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3cccc(N)c3)cc2)cc1 139019145 YAELZRUDIFWXGI-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB CN(c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1)S(=O)(=O)c1ccccc1 222533843 POWFDBILYUJLQZ-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222848857 HRMBGDSIYVBESZ-PMACEKPBSA-N 432.376 6.029 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223135041 GMALWTLYVIZDSF-NRFANRHFSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223699983 OUXWTGMUZPPABP-DEOSSOPVSA-N 438.612 5.221 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224074774 USWDTHBGFLNADM-QFIPXVFZSA-N 449.422 5.302 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1C 224095491 LIKIXKWRCJDTQO-UHFFFAOYSA-N 430.331 5.819 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224589802 ULIHRUHHVCHSLP-MHZLTWQESA-N 444.619 5.660 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1cccc2ccccc12 224628994 YVYFTNCFALMASO-HXUWFJFHSA-N 425.528 6.309 0 40 IKAB CCCSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 224654304 NFVNJTYKQQDFOH-UHFFFAOYSA-N 431.608 5.464 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1COCC(C)C 224741968 VFAOMSXHKYDCCO-UHFFFAOYSA-N 435.589 6.661 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224884878 GCLHXAXITOXGPV-YADHBBJMSA-N 438.984 5.534 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(SCc2ccc(F)cc2)s1 224983419 VQSKTYMOTKFUML-UHFFFAOYSA-N 435.549 5.818 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225195162 SGZYFWXXZVVPCA-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225214632 DVIXKFCFOLGKRS-QHCPKHFHSA-N 445.003 5.141 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 225576593 IBWZMVYULYHBNK-SQJMNOBHSA-N 446.591 5.249 0 40 IKAB COC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226340016 IPEJNGCRULURDK-UHFFFAOYSA-N 434.511 5.231 0 40 IKAB COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408574316 LTVMRFAAROEJRW-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1Cl 408640821 IWYWQKPIMCUQCK-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408644334 SOXODGWNFCCBSY-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)c(C)c1 408697807 JTASMVMMXMRPHV-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 408814309 ZAOVHUCKLQKAPT-UHFFFAOYSA-N 439.900 5.370 0 40 IKAB Cc1ccc(-c2csc(NC(=O)C[C@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 408979723 OFGHXMNBUXQZLP-QFIPXVFZSA-N 441.556 5.618 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 409118233 SYALKROFHLYGFM-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409154908 KVBVQCYLTVCDKX-UHFFFAOYSA-N 447.944 5.165 0 40 IKAB CCOc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 409167430 KQHXEEOOACLWPU-LJAQVGFWSA-N 448.566 6.760 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1Cl 409313361 OHTBIHJHLROYGP-UHFFFAOYSA-N 440.373 5.954 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409345242 KWJMKMGHDLEEOL-STZFKDTASA-N 438.549 5.274 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(c2nc(-c3cccs3)no2)CC1 804305 ZTLLORPHIKIGIP-UHFFFAOYSA-N 429.545 5.336 0 40 IKAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)nnc12 877048 UTSJBGXGEQKCHP-UHFFFAOYSA-N 440.528 5.714 0 40 IKAB CCN1C(=O)c2cccc3c(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)ccc1c23 1061157 JDMHXIHOWQPAPD-UHFFFAOYSA-N 443.506 6.287 0 40 IKAB CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1818655 WSPFGJQGVIPFSL-UHFFFAOYSA-N 444.644 6.412 0 40 IKAB biogenic COc1ccccc1[C@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1832512 RXWYWURDIQKPTK-NBGIEHNGSA-N 438.011 7.009 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc(C)c4)c3)nc2c1 1862234 SQYPNYCVWWZBGO-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cc(Cl)ccc1Cl 2091652 HJWJNQWJOKZTBP-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB biogenic Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc(Br)cc1 2199383 OAXIXXHNYBEWKY-UHFFFAOYSA-N 439.280 6.249 0 40 IKAB biogenic CCCCc1nc2sc3c(SCC(OCC)OCC)ncnc3c2c2c1CCC2 2233826 SBIFHNDTZXCRLC-UHFFFAOYSA-N 431.627 5.562 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccccc3C)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2324695 USXWZXBBPWQZHI-UHFFFAOYSA-N 437.543 5.694 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc(OC)c(OC)cc32)c1 2691382 OKPFQQDPIQBUNX-UHFFFAOYSA-N 443.478 5.416 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 3297983 SJUGVVQAYJWNTM-INIZCTEOSA-N 441.449 6.119 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 3364127 MWIDRIVBFLDTGA-GOSISDBHSA-N 448.035 7.739 0 40 IKAB C[C@@H](c1ccccc1)n1c(S[C@H](C)C(=O)N(C)c2ccccc2)nc2ccccc2c1=O 3374144 WWKDHMZULNNLAO-RBUKOAKNSA-N 443.572 5.149 0 40 IKAB COC(=O)c1cc(CNC(=O)c2cccc(CSc3ccc(C)cc3C)c2)ccc1OC 3443934 LISRGGPQSOFKRC-UHFFFAOYSA-N 449.572 5.321 0 40 IKAB COc1cc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc(OC)c1OC 3655416 KHNYRHSDCRHAOK-UHFFFAOYSA-N 449.434 5.081 0 40 IKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 8431644 GBSAGACUTNJOCD-XIPGCIFSSA-N 426.947 6.777 0 40 IKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4cccc(F)c4)c3c2c1 8605876 ADSZFNILKUMKOH-UHFFFAOYSA-N 440.478 5.428 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccn3c(-c4ccc(Cl)c(Cl)c4)cnc23)cc1 8782003 DYNPMHCRZNCJIA-UHFFFAOYSA-N 448.331 5.118 0 40 IKAB COc1ccc(OC)c(-c2c(C)c3cc(OC(=O)c4ccccc4OC)ccc3oc2=O)c1 8790199 NXYQQRCULILBKA-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic COc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 8832048 XMTYMXPTTXHZEJ-RUDMXATFSA-N 449.757 5.887 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3O)nc2c1 8895132 HGBOGBHRGGWKEJ-UHFFFAOYSA-N 434.495 6.682 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904134 WZYWXSWMJPADCQ-AWEZNQCLSA-N 436.335 5.889 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1c(F)cccc1Cl 9232660 PWWLZMVLRPGNRL-MKMNVTDBSA-N 432.687 5.728 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)o1 9315431 DHRSNSCYEHMFLZ-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB COc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2Cl)c1 9413740 DUFXRZRZNGHHDA-UHFFFAOYSA-N 438.842 5.739 0 40 IKAB CC(=O)NC(=O)c1cc2cc(Cl)cc(Cl)c2o/c1=N\c1cccc(C(F)(F)F)c1 9446075 QKHDPNPOIHLIFG-ITYLOYPMSA-N 443.208 5.267 0 40 IKAB Brc1ccc(Sc2ccc(-c3nc(Cc4ccccc4)ns3)nn2)cc1 9498994 KHVBDDUISYYFLJ-UHFFFAOYSA-N 441.379 5.500 0 40 IKAB Cc1ccc(CN(C)C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)o1 9582939 SYNGIWHJYSQJOP-UHFFFAOYSA-N 444.626 5.088 0 40 IKAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@@H]2c2ccccc2Cl)cc1 9679093 SSPODNUVKHHSMT-QFIPXVFZSA-N 429.863 5.178 0 40 IKAB O=C(COc1ccc2ccccc2c1)NC[C@H](c1cccs1)N1CCc2ccccc21 9708235 CPPVRZSLWBAIBP-XMMPIXPASA-N 428.557 5.200 0 40 IKAB Cc1ccc(-n2c(=O)c3ccccc3n3c(SCc4ccc(F)cc4)nnc23)c(C)c1 9716441 KOHDEGYWVBKCSH-UHFFFAOYSA-N 430.508 5.082 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(CNc3ccc(NC(C)=O)c(Cl)c3)[nH]c(=O)c12 10944455 GQXUXCABJVEKHR-LLVKDONJSA-N 432.977 5.106 0 40 IKAB COc1cc(/C=C/c2ccc3c(Cl)cc(Cl)c(O)c3n2)cc(Br)c1O 12547110 LPFDAIWCBZLCMG-NSCUHMNNSA-N 441.108 5.894 0 40 IKAB CC(C)c1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 13026684 MEHADVLLTWUHQN-DEOSSOPVSA-N 434.536 5.439 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)cc1Cl 13097139 ODVZFBKVKPRYDC-UHFFFAOYSA-N 436.964 5.582 0 40 IKAB c1ccc2c(c1)OC[C@H](c1nnc3n1N=C(c1ccc(C4CCCCC4)cc1)CS3)O2 13134302 HPKRVBWFNSOSKY-JOCHJYFZSA-N 432.549 5.196 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC 15016764 CKEJMSPMXUACNS-HTAPYJJXSA-N 426.925 5.661 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/C(=O)NC12CC3CC(CC(C3)C1)C2 16050373 JLWABBZTRMYDAY-VOTSOKGWSA-N 444.406 5.645 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 16610691 RTVPTRJLEQHXNM-LJQANCHMSA-N 428.532 6.643 0 40 IKAB Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757790 AIQQTZPDRZQYSY-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc5ccccc45)cc3n2)cc1 17100297 LCDDEOYQDOWTKH-UHFFFAOYSA-N 436.515 5.462 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)Cn4ccnc4C)C3)c(-c3ccncc3)c2c1 19220115 OCZILPKVJXUIBB-DENIHFKCSA-N 441.579 5.086 0 40 IKAB COc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(OC)cc23)cc1 20382538 QPJGATGUYTXWFW-UHFFFAOYSA-N 448.544 5.005 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20492896 CVNHLVZNGANYEL-UHFFFAOYSA-N 429.560 6.356 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 20549802 PNFWXWGXMHPQBR-CABCVRRESA-N 449.956 5.463 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)sc(C(=O)CC)c1C 20572828 MACLXJLFJRGVLK-UHFFFAOYSA-N 446.912 5.387 0 40 IKAB O=C(NCc1cccc(Cn2ccnc2)c1)c1oc2ccccc2c1COc1ccccc1 24749400 MUUYWWFAIQANFE-UHFFFAOYSA-N 437.499 5.187 0 40 IKAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 27830246 FOEONDDWLSLZFZ-UHFFFAOYSA-N 437.977 5.672 0 40 IKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1 30860407 KZPDVOJLROVQDG-OAHLLOKOSA-N 432.369 5.076 0 40 IKAB O=C(Nc1ccccc1)N1CCC(C(=O)N(CCc2ccccc2)Cc2cccs2)CC1 32678897 FNWBXDJYNJPHEU-UHFFFAOYSA-N 447.604 5.264 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 33363689 WMEHCJJSXDBOOZ-UHFFFAOYSA-N 432.523 6.891 0 40 IKAB CC1(C)C[C@@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1 38193944 ISCATKGXTNHYCZ-YWEHKCAJSA-N 446.720 6.525 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccccc4C)c3)oc2cc1C 40717288 OULXRFPCBSLRNR-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 72345982 XSXMVRXBSYCTKP-QGZVFWFLSA-N 432.490 5.031 0 40 IKAB COc1ccc([C@H]2NC[C@H](c3cccc(OC)c3OC)c3c2[nH]c2ccccc32)cc1OC 83975914 MIBRBZIHVIFGLP-KBMIEXCESA-N 444.531 5.027 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101027536 VFLVERBIEIQBPN-NJYVYQBISA-N 439.298 5.045 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccccc4)Oc4ccc(Br)cc4[C@H]3C2)s1 102731932 NMKODZJMXPJNKU-NQIIRXRSSA-N 425.351 6.061 0 40 IKAB CCCOc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 102873816 UVHLZDGLNSPZSM-SANMLTNESA-N 432.564 6.678 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 107586797 WKCYUVRKPVGHGE-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)c(Cl)c2)C1 169467460 ULOLHCVDUNLORU-INIZCTEOSA-N 431.360 5.522 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cn4)sc3n2)c1 215707759 CXEMEGAYCMUSPA-UHFFFAOYSA-N 444.438 5.220 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 222508762 PCSKMPSDESHIMP-QFIPXVFZSA-N 447.044 5.463 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc(CN2CCCCCC2)cc1 222537765 VWBIDEOOKUVZON-UHFFFAOYSA-N 438.622 5.459 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 222588324 WBMPAONHIFAGGM-AETJINEWSA-N 437.012 6.040 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223264102 MXQVJCGOXXCURC-WNCULLNHSA-N 442.603 5.174 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 223421688 QNOHJLYLBFXDSW-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 223849132 IGYPMHGMHNEBBS-ZEQRLZLVSA-N 444.560 5.024 0 40 IKAB Cc1cc(C(=O)Nc2c(C)cccc2C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224215753 BMYIERRPLYBJTG-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB O=S(=O)(Nc1cnc(Oc2ccccc2F)nc1)c1ccc(Oc2ccccc2)cc1 224287381 SYNXLEGARIALQT-UHFFFAOYSA-N 437.452 5.001 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccnc1 224424954 BFFUWTMXSSRAHK-ZEQRLZLVSA-N 443.551 5.200 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224472863 WRPJWQYOWNQIKU-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(Cl)cc1 224675928 FKOXSGGZJQTNTF-UHFFFAOYSA-N 441.936 6.012 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 224880583 BOHBYAQHNRFYOK-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225183969 SZFYCKGJZSEWJI-HSZRJFAPSA-N 445.003 5.141 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 225497862 AVLHPTKJXLHUFV-GOSISDBHSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225743766 XGHMIPVDBRWQHS-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CCCc1cc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)no1 257243735 IIHULIXMAYPBMP-SFHVURJKSA-N 434.540 5.103 0 40 IKAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257275593 NPZKPNXFZCHSMP-NRFANRHFSA-N 426.948 5.352 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257303474 SHKDRLQZXHMKNO-LJQANCHMSA-N 446.522 5.636 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1Cl)Sc1nc2ccccc2o1 408635257 YQOGPHCAKGLITP-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)cc1Cl 408643355 AKLLPXJESOJCKV-VIFPVBQESA-N 437.106 5.249 0 40 IKAB CCc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408667358 VJWSTXDNSBCXCL-PJYWLYPCSA-N 448.349 5.347 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408689147 XRUIJIDHFUUMPS-AWEZNQCLSA-N 449.304 5.340 0 40 IKAB Cc1sc(NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)nc1-c1ccccc1 408979020 KVACTXCMDGPVLK-QFIPXVFZSA-N 441.556 5.618 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409002351 NIYZIUPQMMIRJQ-OSPHWJPCSA-N 430.504 5.866 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409011748 IHMKSYZRZXNWTC-OTGIAGGSSA-N 436.360 6.407 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc2ccccc12 409059140 PSGWGMCKEBHGJF-UCQKPKSFSA-N 433.529 5.872 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 409089135 NDWLNEQSDJYPHM-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1nc(S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)O)n[nH]1 409194130 NFHLDSYHGCUZIY-MFOYZWKCSA-N 436.320 5.217 0 40 IKAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccc(F)c(F)c1)CN2Cc1ccccc1 585169108 HHQQPADRUDDTJI-DPZBCOQUSA-N 448.557 5.464 0 40 IKAB CCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc2c1 958110 MKPFXSSLTDZLMX-CYBMUJFWSA-N 436.382 5.243 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc23)cc1 991045 NGRQHFMNOQDJCQ-UHFFFAOYSA-N 425.484 5.567 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 1375700 NEQZQTKSOQLHJC-LLVKDONJSA-N 448.013 5.517 0 40 IKAB CCc1ccc(N2C(=O)C(Nc3ccc(C)cc3C)=C(Sc3ccc(C)cc3)C2=O)cc1 1806523 GCKZUFAAJVMUPB-UHFFFAOYSA-N 442.584 6.163 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl 2026826 GMBPMJRDXIRUGA-NRFANRHFSA-N 443.330 5.426 0 40 IKAB Cc1ccccc1[C@@H]1C(/C=C2/SC(=S)N=C2O)=C(c2cccs2)Oc2ccccc21 2054393 RWBUMFPLCDRAEN-OABJIQBASA-N 447.606 6.864 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)cc1 2207647 YGJXYLBNWPOLOR-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 2361770 IRPPTIRERIWTHX-UHFFFAOYSA-N 439.817 5.973 0 40 IKAB biogenic Cc1cc(-c2csc(Nc3ccc4c(c3)OCCO4)n2)c(C)n1CCc1ccc(F)cc1 2646528 SBYYHWLVPMNTNH-UHFFFAOYSA-N 449.551 6.125 0 40 IKAB Clc1ccc(Cc2ccc(SCc3ccc(Br)cc3)nn2)c(Cl)c1 3052261 XTIVKIZEADCLLG-UHFFFAOYSA-N 440.193 6.429 0 40 IKAB CSc1ncccc1C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 3216469 NELDGRVQGBYMJM-UHFFFAOYSA-N 449.557 5.184 0 40 IKAB c1cc(CSc2ccc3c(c2)OCCO3)ccc1CSc1ccc2c(c1)OCCO2 3306189 CUPXDMJPXUJJLL-UHFFFAOYSA-N 438.570 5.814 0 40 IKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1oc2ccccc2c1CSC1CCCCC1 3310351 LTZMJCSEZRMYRP-UHFFFAOYSA-N 447.556 6.520 0 40 IKAB C[C@]12C[C@H](c3ccccc3)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@]2(O)c1ccccc1 5217096 RYCCTEIDFGNPEH-PHTQWASBSA-N 442.602 7.699 0 40 IKAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(Cl)cc1 8614172 DGQQYPLBGSPCHK-UHFFFAOYSA-N 440.952 5.588 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc5ccccc5c4)c3)oc2c1 8831930 SLRBHAOYVXAMJH-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 8832348 NSVCNXZUVNPHIK-CSKARUKUSA-N 443.330 6.644 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)c4ccc(Br)s4)c(=O)c23)cc1 8855635 QTTSHCPBGJAIHM-UHFFFAOYSA-N 445.363 5.140 0 40 IKAB Clc1ccccc1-n1c(SCc2coc(-c3cccs3)n2)nnc1N1CCCC1 9209345 SDSKTUCSQMIZRO-UHFFFAOYSA-N 443.985 5.530 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@H]2c2cn(C)c3ccccc23)cc1 9289210 PXQFMOZRTJSVKA-MHZLTWQESA-N 437.543 5.486 0 40 IKAB Clc1ccc([C@@H]2C[C@@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292554 XJGHNJDNTSCSLR-FPOVZHCZSA-N 438.756 6.599 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(F)cc3)c2c1 9420383 ODRGMKVSPRGOGT-UHFFFAOYSA-N 427.431 6.160 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2nnc(CCCc3ccccc3)s2)c1)c1ccccc1 9426492 YZCWALNUPJHFJK-UHFFFAOYSA-N 442.544 5.218 0 40 IKAB c1ccc(-c2nc(N3N=C(c4cccs4)C[C@@H]3c3cccs3)nc3ccccc23)cc1 9461238 HMUHETHOCWJLNG-OAQYLSRUSA-N 438.581 6.776 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3nc(Cc4ccccc4)n(Cc4ccccc4)c(=O)c23)C1 9462580 MPBUVXZOTUEAOE-NRFANRHFSA-N 442.628 6.248 0 40 IKAB CC(C)(C)c1cc(C(=O)CSc2nc3cc(Cl)ccc3[nH]2)cc(C(C)(C)C)c1O 9782009 NRTAPBHXRZXOMO-UHFFFAOYSA-N 431.001 6.492 0 40 IKAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)cc3)c3ccc(C)cc3c2=O)cc1 9855759 ISUSFYSATAOKDM-UHFFFAOYSA-N 438.527 5.050 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 9892062 LUQHQUAPXZCPSE-UHFFFAOYSA-N 444.506 6.699 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)cc1 11358334 GDMCAEUDPFTYNZ-UHFFFAOYSA-N 435.578 5.295 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)cc1 12194459 QDIIWHWKYDTZPI-NFBKMPQASA-N 437.337 6.408 0 40 IKAB O=C(Nc1cccc(/C=C(\Cl)c2nc3cc(F)c(F)cc3[nH]2)c1)c1ccccc1Cl 12579710 KZYRYMZJOWWDCQ-SXGWCWSVSA-N 444.268 6.484 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)N(C)Cc3ccccc3Cl)c2)cc1 12600024 YGVFSCKAWQCJPQ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cc(Cl)ccc4C)c(=O)c23)s1 12788380 KBKLFBQOXCVHFR-UHFFFAOYSA-N 429.954 5.095 0 40 IKAB CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NCc4cccs4)c3N2)cc1 12847951 SRUJEYYOENSBBW-MSOLQXFVSA-N 434.487 5.097 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccnn1Cc1ccc(Cl)cc1 12848529 GGIJQIJOSSUQPA-UHFFFAOYSA-N 426.904 5.029 0 40 IKAB CCc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccc(C)cc3)N2C1=O 12864932 JMDDYQZNOQMINW-AHWVRZQESA-N 435.527 5.522 0 40 IKAB biogenic Cc1ccc(CN(CCc2ccccc2)Cn2nc(-c3ccncc3)n(C)c2=S)s1 12889064 CZEMBHJSFDGEOX-UHFFFAOYSA-N 435.622 5.085 0 40 IKAB Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@@H]3CCCC[C@@H]3C2)c1=S 13097676 KEKJUJKNCITDAD-JKSUJKDBSA-N 445.683 5.323 0 40 IKAB Cc1cc(C)cc(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 13148807 WIIKXLGHCNAYEJ-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 13576255 NBWFIFQMGCUGIE-UHFFFAOYSA-N 446.503 5.285 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)c1C 14112961 GVBCUCQCDUYTDU-UHFFFAOYSA-N 448.548 5.017 0 40 IKAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(Cl)cc2)cc1 15412683 IPDKDJXTILUIPU-XMMPIXPASA-N 434.923 5.087 0 40 IKAB CCCCOC(=O)c1cccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)c1 15838636 HOVSXNUCGIVZGH-UHFFFAOYSA-N 442.309 5.334 0 40 IKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(SC(F)F)cc1 15879616 PERGSSVDPKZQAM-NFAYLAGKSA-N 430.358 6.064 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)cc1 15880465 KCVFZSJAXCLRTM-UHFFFAOYSA-N 429.472 5.749 0 40 IKAB biogenic Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 16291791 CZDXCCWIFGHIMN-NRFANRHFSA-N 435.803 8.062 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC(=O)c2ccc(Br)cc2)cc1 16477980 MMQCSHHCMPKGCR-ZHZULCJRSA-N 448.272 5.013 0 40 IKAB C[C@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C(=O)Nc1cccc2ccccc12 16609589 VATSMXRAUCMQGX-IBGZPJMESA-N 438.531 5.763 0 40 IKAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@H](c3ccccc3)C[C@@H]12 16957230 RRYJEBVHIBXFON-LAUBAEHRSA-N 427.466 5.323 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4)ccc3O)nc2c1 17097568 GKLVSTNRMIVLQZ-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB CCc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 17861787 LLNYBKHXLFRUPM-PXLXIMEGSA-N 436.433 5.908 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(C)cc2)cc1 19635391 URRRLACKEFZYDS-UHFFFAOYSA-N 442.342 6.326 0 40 IKAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccnc4ccccc34)n[nH]2)cc1F 19703712 FMTDBZYWPPVGMA-RUZDIDTESA-N 434.490 5.195 0 40 IKAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1 19854704 HLQWNCZYFBXKNE-UHFFFAOYSA-N 440.616 5.482 0 40 IKAB CCCCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057802 FFKXHSBQGYHWNL-UHFFFAOYSA-N 442.654 5.627 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 20458932 FROQQGYGVUFFAP-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)cc1Cl 20482615 VXVJUYWAWPTFAG-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4ccccc4c3)nc12 21686177 WVVIZFNFRZVJCK-UHFFFAOYSA-N 428.517 5.595 0 40 IKAB Cc1cccc(-c2noc(CN(C(C)(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256904 ATOKDQUTMIJAFS-UHFFFAOYSA-N 427.570 5.158 0 40 IKAB COCCOc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)ccc1OC 25224848 LFQYTLWIOZHKQV-UHFFFAOYSA-N 444.487 5.295 0 40 IKAB O=C(NCCCn1cnc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 32819208 INPQTEXXUCOLBH-UHFFFAOYSA-N 442.544 5.290 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2C)cc1OCc1ccccc1 35131118 LVSYWHUWGHZWDI-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352248 BDXPVCDDWVGIKZ-RDGATRHJSA-N 436.458 5.614 0 40 IKAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 40086081 UNTCFCUJSAMAJD-OXQOHEQNSA-N 431.552 5.016 0 40 IKAB Cc1cccc(C(=O)Nc2cccc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2)c1 41091598 RPQDVJOIERQNRG-UHFFFAOYSA-N 442.559 6.313 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(F)cc2)cc1 44087083 JQINAFCNJOZJTJ-UHFFFAOYSA-N 443.547 5.668 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1 59132966 JDPCHUMIIUGOBJ-OVCLIPMQSA-N 426.925 5.101 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)cc1Br 59461311 MGDHLTCUUZIZPE-UHFFFAOYSA-N 445.294 5.687 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN([C@@H]2CCCc3ccccc32)C4)cc1 61997669 TWDFNNAPLBAZMC-RUZDIDTESA-N 439.511 5.698 0 40 IKAB biogenic CC(C)(C)OC(=O)NCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCCC2)nc1 72215546 MICAQRIKQXHMNT-UHFFFAOYSA-N 447.576 5.253 0 40 IKAB CN(Cc1ccncc1)C(=O)c1ccccc1NC(=O)c1ccc(Oc2ccccc2)cc1 72286793 ZVZXHFOLNUCWPF-UHFFFAOYSA-N 437.499 5.398 0 40 IKAB O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2)C1 72330555 ISODBYSWWKPDCB-HOFKKMOUSA-N 448.010 5.437 0 40 IKAB CCc1nnsc1C(=O)N1CCC[C@@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 72354191 JLHZUGPCSRDHNM-GOSISDBHSA-N 441.000 5.068 0 40 IKAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 72375850 QTHWSBBPCQBNBO-LJQANCHMSA-N 435.597 5.189 0 40 IKAB Cc1ccc(OCC(=O)Nc2c(C)cccc2-c2nc3cc(F)ccc3n2C(C)C)cc1 78875591 UECNZTUOAYTYEI-UHFFFAOYSA-N 431.511 6.058 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2cccc(C(F)(F)F)c2F)S1 96117387 CSJRAQYAWXVCMF-MEDUHNTESA-N 443.466 5.351 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)Nc1ccccc1C(F)(F)F 96119768 UEFQMNKPZQAFCB-UHFFFAOYSA-N 444.438 6.052 0 40 IKAB CCCn1c(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N/c1ccccc1 102678144 SUNITKUYAASQFF-IMVLJIQESA-N 447.991 6.765 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 102775243 SIEROZRAJQYOLF-DWXRJYCRSA-N 428.488 5.858 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 223144899 BMGAUOWXTPNPSL-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2C)cc1C 223436521 QGTHOQCKGIGSDW-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 223770472 DUEITXJKYKTEMA-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 223888455 YZCXZLRFDLZEQK-RPWUZVMVSA-N 431.609 5.078 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224067947 ZNRUJDDQPJHXFG-AREMUKBSSA-N 436.640 5.509 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccccc1C(C)(C)C 224172592 YRLASEZIGBPGAE-UHFFFAOYSA-N 431.532 6.027 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(C(C)(C)C)cc1 224183334 GAVWZWQZJUOZPD-UHFFFAOYSA-N 433.504 5.553 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1C 224257019 QXUGGBZOONSQHV-RBUKOAKNSA-N 444.423 5.700 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl 224453697 YIXUZGYNCBWXQL-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1cccc2ccccc12 224633507 DDGXSJLCGMOWSM-UHFFFAOYSA-N 440.499 5.169 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225297910 WUGUIKRVEULIPN-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225316121 VNFPTYAZYZKSAB-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB Cc1cccc(CCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225393279 GZZYGKGXRUSFPB-UHFFFAOYSA-N 444.644 6.443 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225512254 UGWSKXKPFIOCMX-RDGATRHJSA-N 438.612 5.185 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225573821 ICTSMWAOTKVJOR-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225574307 MJLQSNUJOHTWRB-DHLKQENFSA-N 438.612 5.185 0 40 IKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 225581293 BWPSEHMXPKATLK-HNNXBMFYSA-N 438.351 5.094 0 40 IKAB CCOc1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225622201 WRNFWJQWNUQVPR-UHFFFAOYSA-N 436.646 6.297 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCS[C@@H](c2ccccc2F)CC1 225740669 QOTVDGSCLHRWBD-QGZVFWFLSA-N 428.754 5.562 0 40 IKAB COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1Cl 225853473 FSLRHALBOWDTNO-UHFFFAOYSA-N 428.907 6.123 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccccc1 226574460 MCDMIBHTTQBFAB-CORIIIEPSA-N 438.837 5.281 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(C(C)(c3ccccc3)c3ccccc3)nn12 227143360 JVQYTHIWEFYJQL-UHFFFAOYSA-N 436.544 5.163 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c1 252489517 JSIQMRRRHWJARK-UHFFFAOYSA-N 446.576 5.320 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 257267916 MJKOSJLSSXQURT-IBGZPJMESA-N 431.923 5.487 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@@H]2CC=CCC2)CC1 257269105 MOOXLTAEFAUOLV-HSZRJFAPSA-N 444.619 5.258 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4[nH]nc5c4CCCCC5)C3)c2)cc1 257324933 WQUSMTNBCHJXKO-FQEVSTJZSA-N 444.579 5.077 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc(C(F)F)cc1 408544226 BCWVUJOHYMSLEM-UHFFFAOYSA-N 437.471 5.054 0 40 IKAB COc1cc(C(=O)Nc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 408551077 AUTZGXMRRUICSR-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB COc1cc(NC(=O)C(=O)c2c(-c3ccc(C)cc3)cc3ccccn23)c(OC)cc1Cl 408675573 IZTPOTAPNKHFBN-UHFFFAOYSA-N 448.906 5.407 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccccc1-c1ccccc1 408702583 BWFYHGPOOVMJIR-UHFFFAOYSA-N 442.540 5.434 0 40 IKAB CCc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409109725 JXFLNFBRMNPOJY-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1Cl 409175513 ZVAIKJSTWUNHRN-UHFFFAOYSA-N 444.698 5.044 0 40 IKAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@H]4CCCc5c4[nH]c4ccccc54)c(C)c3cc12 524729649 BYXLYSBHLIPJKU-QFIPXVFZSA-N 440.499 5.374 0 40 IKAB biogenic Cc1ccc(-c2cc3ncc(S(=O)(=O)c4ccccc4)c(-c4cccs4)n3n2)cc1 988011 ZKLYAVMXYGZJNV-UHFFFAOYSA-N 431.542 5.266 0 40 IKAB COc1ccccc1OCCn1cc(/C=C2\N=C(c3ccccc3)OC2=O)c2ccccc21 1016399 HYZRJUZUQKRMCM-XLNRJJMWSA-N 438.483 5.073 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1336107 BAIUCIIXWBGXNO-QHCPKHFHSA-N 440.540 5.246 0 40 IKAB Cc1cccc(C(=O)N(Cc2cccnc2)Cc2cc3c(C)cc(C)cc3nc2Cl)c1 1367755 JPJXRYUOMLOSMD-UHFFFAOYSA-N 429.951 6.051 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 1380050 FBIMSUCQHAGCPA-HXUWFJFHSA-N 446.931 5.581 0 40 IKAB COc1ccc(C(=O)n2ccc(-c3ccc(OCc4c(F)cccc4Cl)cc3)n2)cc1 1383654 JKQIBVXBIRHXOP-UHFFFAOYSA-N 436.870 5.619 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cccc1OC 1416449 LAVFTYRRZAISLT-LICLKQGHSA-N 438.332 5.637 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC(=O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 1689664 PMBSWZWCNKVWLV-IWULLGFXSA-N 442.684 7.139 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(CCCOC(C)C)C3=O 2420920 XCSOXBHEYUGDMD-XMMPIXPASA-N 447.575 5.759 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1 2444390 QBLUIXLQOCYGBE-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C1CCCN1CCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2715010 BOBSZYXTOWRCAW-UHFFFAOYSA-N 445.954 5.165 0 40 IKAB Cc1cccc2sc(NC(=O)c3cc(-c4ccc(C(C)C)cc4)nc4ccccc34)nc12 2754532 IFTYSRSACOKVOC-UHFFFAOYSA-N 437.568 7.196 0 40 IKAB Cc1ccccc1-n1c(CSc2cccc(Cl)c2)nc2ccc(Cl)cc2c1=O 3050390 DBTONJYOTXVQLR-UHFFFAOYSA-N 427.356 6.293 0 40 IKAB O=S(=O)(Nc1ccccc1Sc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 3128180 CKOOTADKIUODHJ-UHFFFAOYSA-N 436.786 5.167 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@@H](c1ccccc1F)N1C(=N2)C=Cc2ccccc21 3290205 IFVPHVHUWZDYSP-RUZDIDTESA-N 440.909 6.640 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)/C=C/c1ccc(OC)cc1)c1ccccc1 3331757 SBZXGNZNUBEZCP-XPGGBCAFSA-N 431.488 5.030 0 40 IKAB O=C(/C=C/c1cccc(F)c1)OCc1ccc(COC(=O)/C=C/c2cccc(F)c2)cc1 3338714 JOARNROGGHGWOI-PHEQNACWSA-N 434.438 5.478 0 40 IKAB CC(C)Cc1ccc([C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3413082 CKEGNAVGLWLNPB-RLWLMLJZSA-N 428.576 5.104 0 40 IKAB C[C@@H]1C[C@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4550903 MBIHVWFEQLQTFF-NLFFAJNJSA-N 426.560 6.246 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@@H](C(C)(C)C)C4)cc1 4735792 FEYIPQTWVVBIQP-MRXNPFEDSA-N 427.566 5.702 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCCNCCO)[C@@H]3CC[C@@]21C 4743450 GKXLUGLOAOBFQD-KXRRJDDHSA-N 433.721 6.239 0 40 IKAB CCN1CC[C@](O)(c2ccc(Cl)c(Cl)c2)[C@H](C(=O)c2ccc(Cl)c(Cl)c2)C1 5810393 OJDYOYOACQNEAI-XOBRGWDASA-N 447.189 5.713 0 40 IKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1C 6161567 UUZODLOTPOLTDU-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB Cc1cccc2c(C(=O)OCC(=O)C(C)(C)C)cc(-c3ccc(Br)cc3)nc12 8383426 MUOAUTWSPWYHBE-UHFFFAOYSA-N 440.337 5.745 0 40 IKAB O=C1N2c3ccccc3S[C@@H](c3ccccc3)C[C@]2(c2ccccc2)C1(Cl)Cl 8452012 JDCYQYZPZYWWID-IRLDBZIGSA-N 426.368 6.340 0 40 IKAB COc1ccc(OC)c([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)c1 8694896 MAXBKRXEBSSSCY-DEOSSOPVSA-N 445.906 5.497 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C 8705474 VVZGOMHJPSCWLZ-INIZCTEOSA-N 440.569 5.554 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 8722602 QIAGDQCIPFHEQJ-VWLOTQADSA-N 447.498 5.206 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C)c(C)n1CCC1=CCCCC1 9166617 LLVGCBVXKRSCIJ-UHFFFAOYSA-N 435.597 5.161 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9210496 LGCOCCIURRUJKD-QFIPXVFZSA-N 428.513 5.277 0 40 IKAB COCc1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1-c1ccc(OC)c(OC)c1 9261140 CZNZOGNNBXGXJX-UHFFFAOYSA-N 443.425 5.246 0 40 IKAB Cc1cccc(-c2nsc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)c1 9404021 KNNMDVBDHFCVKM-UHFFFAOYSA-N 425.457 5.143 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc2c(c1)OC1(CCCC1)O2 9415027 WESPTMHTYZSJPM-UHFFFAOYSA-N 425.872 5.003 0 40 IKAB COc1cc(Br)c(CSc2nnc(C3CC3)n2-c2ccccc2)cc1OC 9469470 RGNZMZJMWKUWCC-UHFFFAOYSA-N 446.370 5.217 0 40 IKAB Cc1c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CC(C)(C)C2 9603753 HMKSUYDPZWWDDZ-HXUWFJFHSA-N 440.547 5.068 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 9744190 VOSFZVBIBKCUQO-XMMPIXPASA-N 426.516 5.416 0 40 IKAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9885569 BAYCREKJOUIJNR-UHFFFAOYSA-N 430.529 5.280 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1 10314227 PGDCWHPOAHYRQA-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc4ccccc4o3)n2)cc1 12442199 GRMGODRXTDTPQK-UHFFFAOYSA-N 444.516 5.701 0 40 IKAB CCc1ccccc1NC(=O)CN1CCC(n2c(C)nc3cc(C(F)(F)F)ccc32)CC1 12640256 FFXVSPLNUGOVMH-UHFFFAOYSA-N 444.501 5.202 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N[C@H](C)c1ccccc1Cl 12683125 CULGIHAOBXRZFM-MOPGFXCFSA-N 449.982 5.463 0 40 IKAB Cc1ccc(Sc2ncccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 12779308 IRMAQMZQXALOFP-UHFFFAOYSA-N 431.561 5.032 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1cc(Cl)cc2c1OCOC2 12978226 PEMXNMSKJNIYMT-UHFFFAOYSA-N 434.941 5.271 0 40 IKAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n1C1CCCCC1 13028430 LNOUHZQWZGWLPN-LBPRGKRZSA-N 428.480 5.110 0 40 IKAB CCOc1cc(C=C(C(=O)Nc2ccccc2C)C(=O)Nc2ccccc2C)ccc1O 13041628 FRPVPFBYGOMYIT-UHFFFAOYSA-N 430.504 5.069 0 40 IKAB C[C@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=S)C1 13063533 WPYAZTUZFIVYFM-HNNXBMFYSA-N 433.408 6.066 0 40 IKAB CCOc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCC(C)C 13073271 KFQVSXZVYMLTAZ-LOULHMMLSA-N 433.552 5.196 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1 13087027 PQWJPEYTAXZWTL-SDNWHVSQSA-N 436.389 5.273 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nnsc3Cl)n2Cc2ccco2)cc1 13128521 ZYLCLGFJFYHQQL-UHFFFAOYSA-N 446.001 5.681 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 13303455 LCACYSALAAALAR-VXWZWFMZSA-N 434.536 5.015 0 40 IKAB Cc1c(Cl)cccc1NC(=S)Nc1nn(Cc2ccccc2Cl)cc1Cl 13330770 YWNRYPYDOKZJFB-UHFFFAOYSA-N 425.772 6.009 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc2cc(-c3nc(-c4ccccc4)no3)nn12 13643105 XEYMONHQBNTNEW-UHFFFAOYSA-N 441.800 5.786 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1OC 13811134 GIESZTPKBDAZOZ-UHFFFAOYSA-N 435.867 5.327 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2ccccc2)c1 14404984 CVBOXPWOUDGYPH-WUKNDPDISA-N 436.515 5.393 0 40 IKAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OCc1ccc(Cl)cc1Cl 15055761 XBQKRMFAKYUPCX-APSNUPSMSA-N 426.346 5.910 0 40 IKAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)cc2C)cc1 15413240 UZWBREBAKUUHQM-VWLOTQADSA-N 430.573 5.455 0 40 IKAB COc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn23)cc1 15414476 BYJKMBJDVXGUIL-UHFFFAOYSA-N 444.579 6.449 0 40 IKAB CCc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)OCc2ccc(Br)cc2)cc1 16161696 YQMIAIPNCRTRQC-LEWJYISDSA-N 444.369 5.500 0 40 IKAB CCOCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 16687985 BSTVZEFSNJTOIT-UHFFFAOYSA-N 440.353 5.082 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc2c(Cl)cccc12 17095155 OZYISTAORXTFDQ-UHFFFAOYSA-N 426.859 5.546 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl 17096336 LZYIAWUBBUJGPJ-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(N(C)C)cc3)o2)cc1Cl 19630893 QGZBXGRUVDOYNB-ACCUITESSA-N 439.968 5.501 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)COc3ccc(Cl)cc3Cl)c2C(=O)OC)C1 19635478 ZGDRDVAKWZHPIW-LLVKDONJSA-N 442.364 5.374 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cc(C4CC4)nn3C)cc2)O[C@@H](C(C)C)C1 19711776 YZNUZGNPHFCBBW-SDUSCBPUSA-N 438.616 5.136 0 40 IKAB O=C(COc1ccc2ccccc2c1)N1CCN(C2CCC(c3ccccc3)CC2)CC1 19888721 FUWBYCSDAQBASJ-UHFFFAOYSA-N 428.576 5.089 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19933961 QOWQOBPIVMWBNA-SANMLTNESA-N 442.603 5.395 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20454680 OZLIJCYJBAPPEX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1 20458620 VLWILTWKBVXHBK-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB C[C@@H]1CCC[C@H](NC(=O)c2cccc(-n3c(=S)[nH]c4cc(Cl)ccc4c3=O)c2)[C@@H]1C 20645466 OHPBGKCMMZDNTR-LPMFXHHGSA-N 441.984 5.256 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 22245323 FCPLPQPFNMSEAM-UHFFFAOYSA-N 429.545 6.051 0 40 IKAB CC1CCN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851840 XKIGPGHQWCNRDJ-KRWDZBQOSA-N 428.945 5.231 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 23011728 CRVAHRMEFFCPCU-UHFFFAOYSA-N 446.507 5.930 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)Cc2noc3ccccc23)cc1 24646675 WEKJFUPTALPWDW-UHFFFAOYSA-N 427.504 5.559 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4cccc(Br)c4)o3)co2)cc1 26548765 SOPFLFNUKCXKHA-UHFFFAOYSA-N 432.274 5.586 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 26772049 AVKOXLQFEXCUQS-QKAOAIJKSA-N 447.575 5.447 0 40 IKAB biogenic CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 28206873 KEVSQXBPWRWKAZ-SFHVURJKSA-N 434.561 5.202 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccn(Cc2c(Cl)cccc2Cl)n1 28230860 NAAZYWPEMQBDPQ-UHFFFAOYSA-N 440.334 5.293 0 40 IKAB C[C@H]1C[C@H]1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1 30151214 DVONWJGJLIGIAR-BLLLJJGKSA-N 426.866 5.678 0 40 IKAB CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1C(C)(C)C 31903993 MFQUHRXCAIUKDU-UHFFFAOYSA-N 444.641 5.064 0 40 IKAB O=C(Nc1nc2ccc(N3CCOCC3)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 32126552 LKTHLBCPFRLDBP-UHFFFAOYSA-N 439.924 5.299 0 40 IKAB Brc1cccc(-c2ccc(SCc3nc(-c4cccs4)no3)nn2)c1 33021947 YCIRLQBOVFPIEP-UHFFFAOYSA-N 431.340 5.310 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)cc1C 33022091 INNYFPLVQZNUDF-UHFFFAOYSA-N 442.466 6.122 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1Cl 33380315 GUYIURDVIHHFFN-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc1ccccc1 33581036 NCULKBITEPIIBY-OXQOHEQNSA-N 432.948 5.086 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(F)c(F)c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352229 LDMWKTXETIJEGU-GGAORHGYSA-N 426.850 5.869 0 40 IKAB CC1=C(C)N(c2ccccc2)C(=c2c(-c3ccccc3)c(C)c3n2c2ccccc2[n+]3C)S1 42682194 XCOVUXSJARBKGQ-UHFFFAOYSA-N 448.615 6.182 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)ccc1Cl 44939645 XALQIUWPVXUSSG-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB CC(C)(C)OC(=O)N1CCC(CSc2nnc(Cc3cccs3)n2C2CC2)CC1 58166088 SWMCMHJOBJGKJA-UHFFFAOYSA-N 434.631 5.005 0 40 IKAB C[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58166337 DUKINSFSYPYOFP-IIBYNOLFSA-N 433.508 5.587 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 59500417 GNTDGAJRAGDPMV-ZQFKLAOWSA-N 448.349 5.954 0 40 IKAB biogenic O=C(C(c1ccccc1)c1ccccc1)N1CCC(Cn2ccnc2-c2ccccc2)CC1 62129309 BKBARNSVVARKBF-UHFFFAOYSA-N 435.571 5.621 0 40 IKAB CCOc1cc(/C=C/C(=O)Nc2ccccc2Sc2nccn2C)cc(Cl)c1OC 62581040 DTEHJRNQTYBNJX-MDZDMXLPSA-N 443.956 5.284 0 40 IKAB COc1ccccc1-c1noc(Cc2nc(-c3ccc(Br)cc3)cs2)n1 67246051 VZNUGMCALJFMPB-UHFFFAOYSA-N 428.311 5.222 0 40 IKAB Cc1cc(SCC(=O)Nc2cccc(Br)c2)nc(-c2cccc(F)c2)n1 67257404 FIMPVRLYOVXFLI-UHFFFAOYSA-N 432.318 5.084 0 40 IKAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccccc1Cl 67258533 QIAJKKGASRMQIF-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(C(=O)N2CCCC2)n1 89794134 OSGDQWQSZAUASI-UHFFFAOYSA-N 447.347 5.000 0 40 IKAB COc1cccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)c1 96324274 WDIXMKLCGBXIBZ-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3cc(C)ccc3n2)cc1 101538508 SQINHRUMHNTJQA-KLJZETAQSA-N 428.576 6.163 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OCC)cc1 102969897 CNYUPWKSMXDAJH-HHHXNRCGSA-N 446.591 7.068 0 40 IKAB CCSc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(SCC)cc3)C2=O)cc1 103753831 ZXXNZORTFYWLJF-VWLOTQADSA-N 446.641 6.995 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(O)=C2[C@@H]1c1ccc(C)cc1 104077766 PVJKNBRRRAQJIF-MMTVBGGISA-N 440.518 6.704 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 106718153 LNZJHDMJMMWRRZ-GRSHGNNSSA-N 431.344 6.205 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(C(=O)O)c3)o2)cc1C 107939709 KXVHPEMPIBBRTD-UHFFFAOYSA-N 428.897 5.042 0 40 IKAB N[C@H]1CC[C@H](Nc2cc(-c3cccc(NCc4cccc(F)c4)n3)c(Cl)cn2)CC1 115455757 XKHXPTSUVPZYDW-HDICACEKSA-N 425.939 5.230 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 118925658 UOYOJYKLYHOIHZ-MJKNIIHTSA-N 442.684 7.139 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222848519 VZSMOBOIKBPBAF-WOJBJXKFSA-N 432.376 6.029 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 222997308 RKOJCFXHYYKVPL-JOCHJYFZSA-N 440.653 5.179 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NCCOc1ccc2ccccc2c1 223583490 VALFYLMZJRLJML-UHFFFAOYSA-N 430.367 5.031 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223654116 LLWGIIORQRNKOZ-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl 223871819 DTAYLXGCGCCXSP-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 224444262 DFIJNCLHIXZXEB-UHFFFAOYSA-N 444.556 5.303 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225585212 NTBFIXWSODOLLG-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 225643382 RAEXKRZFJFPCLE-XXBNENTESA-N 444.616 5.089 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@@H]3CC4(CCCCC4)Oc4ccccc43)ccc2c1 225823078 YGZAIGFBRDXXSV-HSZRJFAPSA-N 437.561 5.353 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Oc2ccccc2)cc1 225828833 HSICBCNEJHMKPW-UHFFFAOYSA-N 435.483 6.253 0 40 IKAB CN(C)C(=O)c1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225871808 SPSCSZZNKNVLCL-UHFFFAOYSA-N 430.017 5.274 0 40 IKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 225908065 ZEVNGPVGDXOFLX-RHSMWYFYSA-N 425.787 5.736 0 40 IKAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 252444312 BPNGGJULFGVECG-NVXDSCFRSA-N 448.349 6.236 0 40 IKAB Cn1cc(CN2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)c2cc(F)ccc21 257279035 OESSJVYMUDANPL-UHFFFAOYSA-N 447.985 6.336 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3nc(O)c4ccccc4n3)n2)cc1 408582020 LCLOXUBGXJUXJW-UHFFFAOYSA-N 428.439 5.412 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408602733 AORWPZDRAKULPJ-UHFFFAOYSA-N 446.330 6.281 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1C 408694774 MKMAYRAVOHIMNR-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(C)cc2)cc1 408698802 PQJZBBHTEPRCPF-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2ccc3ccccc3c2)cc1 408725884 QPWUFLMYZSOXRP-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)N(C)C1=S 409037360 NCYIVNNUMHVLPP-SXGWCWSVSA-N 441.767 5.255 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1O 409097466 GSNUHAFQVYRDNJ-XGICHPGQSA-N 428.204 5.065 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409117646 PRBBHYCRVUZVNR-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 409207228 QQRRVFJCADXERI-UHFFFAOYSA-N 442.540 6.087 0 40 IKAB CCOC[C@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 606199899 JFRFTTRAPALQHA-HNNXBMFYSA-N 447.457 5.106 0 40 IKAB Cc1ccccc1C(=O)N1CCOCCOc2ccc(C(C)C)cc2Cc2cccc(c2)C1 643588288 DLUXHXZOICTYKE-UHFFFAOYSA-N 443.587 5.761 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2Cl)cc1 1083102806 AJZGFGOZYLAIJY-UHFFFAOYSA-N 436.722 6.243 0 40 IKAB CC(C)(C)OC(=O)NCCc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 1848441017 PVALJZQCCRGZEC-UHFFFAOYSA-N 433.548 5.912 0 40 IKAB in-vitro O=CN(c1ccccc1)c1cc(N(C=O)c2ccccc2)cc(N(C=O)c2ccccc2)c1 712557 IWHRDKIYFJWXOK-UHFFFAOYSA-N 435.483 5.570 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 875300 CUPHOJDUAOWOAV-UHFFFAOYSA-N 431.536 5.375 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 875391 NCSSAHKJOXUBRS-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4c(s3)CCc3ccccc3-4)cc12 881520 SBNWKKVBCJMNHM-UHFFFAOYSA-N 442.569 5.870 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 1084531 RKALCTPGKDDNOF-UHFFFAOYSA-N 448.309 7.049 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1 1447573 VBYPUMRSTXPRPV-UHFFFAOYSA-N 434.499 5.737 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCCOc1ccc(Cl)cc1Cl 1747406 JEXBGSFLGFVCCW-UHFFFAOYSA-N 444.525 5.955 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccc(Cl)cc1 1773648 LRJNCFQLDYBMIY-UHFFFAOYSA-N 443.952 6.043 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 2061403 HMKKOJSPVXGYMS-UHFFFAOYSA-N 449.293 7.314 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)sc2c1 2074710 KYHWRQIOEHEZTO-UHFFFAOYSA-N 434.564 7.042 0 40 IKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Br)cc1C)C3 2119583 BXEOFJTZONTYJP-UHFFFAOYSA-N 428.326 5.563 0 40 IKAB biogenic O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 2187611 KNERKAMUFZEDRB-UHFFFAOYSA-N 436.898 6.836 0 40 IKAB O=C(CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4)c1ccccc1 2232205 XUIYLMALIFPMIR-UHFFFAOYSA-N 442.569 5.470 0 40 IKAB Cn1c(SCCOc2ccc(C(C)(C)C)cc2)nc2sc3c(c2c1=O)CCCC3 2296818 DWMKJUXXISYRCD-UHFFFAOYSA-N 428.623 5.342 0 40 IKAB Cc1cc(C)cc(NC2=C[C@H](c3cccc4ccccc34)N(c3cc(C)cc(C)c3)C2=O)c1 2332099 KIJUUHCEMHWADZ-GDLZYMKVSA-N 432.567 7.157 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 2386126 MPPVRTDMQFEUTO-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041225 YNJDJCPKPRJBQZ-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB O=C(CC1(c2ccccc2)C2CC3CC(C2)CC1C3)N1CCN(c2ccc(Cl)cc2)CC1 3125724 WJKITWKLBMVXKY-UHFFFAOYSA-N 449.038 5.773 0 40 IKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(Br)cc1 3150069 CDQGQJZFYLJDFC-UHFFFAOYSA-N 439.907 5.863 0 40 IKAB CN(C(=O)COc1ccc(Cl)cc1Cl)[C@]1(c2ccccc2Cl)CCCCC1=O 3230747 DFOXJKLDYDKMCR-NRFANRHFSA-N 440.754 5.523 0 40 IKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)Nc1ccc(F)c(F)c1F 3247437 BUDUBFQRUFSWJD-UHFFFAOYSA-N 442.418 5.176 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)s2)cc1 3247828 XFJUNTOARFMNTO-UHFFFAOYSA-N 432.574 5.988 0 40 IKAB O=C(O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1)c1ccc2c(c1)OCO2 3252970 WCJPFLXMXKSFHQ-FQEVSTJZSA-N 444.270 5.259 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1sc(N2CCCCC2)nc1-c1cccs1 3316675 BBWRKSQHPLQROT-NTCAYCPXSA-N 427.982 6.008 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 3435332 QBJAKUUQBCOYJC-DYESRHJHSA-N 447.633 6.507 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3486613 UIRVJMBFILBPLS-LJQANCHMSA-N 434.923 5.623 0 40 IKAB O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)NC(=S)N1C1CCCCC1 3667705 HWBRUFSPVZXJEM-STZFKDTASA-N 426.969 5.309 0 40 IKAB O=C(c1ccc(I)cc1)c1cnc2ccccc2c1-c1ccccc1 8445462 KHVOYYSFFFNNRR-UHFFFAOYSA-N 435.264 5.737 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2 8445628 RQOLPWNMKQZUTR-UHFFFAOYSA-N 440.568 6.593 0 40 IKAB COc1ccccc1NC(=O)c1cc2c(-c3ccccc3)nn(-c3ccccc3)c2s1 8590514 ZCZCBOBKHQVJQZ-UHFFFAOYSA-N 425.513 6.015 0 40 IKAB aggregator Cc1cccc2sc(N(CCCN(C)C)C(=O)c3sc4ccccc4c3Cl)nc12 8683821 NBXRLWDFHUWPPG-UHFFFAOYSA-N 444.025 6.071 0 40 IKAB Cc1occc1-c1nnc(SCCCC(=O)c2ccc(F)cc2)n1Cc1ccccc1 8724098 DCNQKWQZRDXFDC-UHFFFAOYSA-N 435.524 5.789 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2ccccc2c1 8782953 LWPOXOMQBXVZKZ-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1 9142376 HPJHFCVZIXORTO-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB Cc1sc(NC(=O)CCn2c(=O)sc3ccccc32)nc1-c1ccc(Cl)cc1 9226888 NNKISKLORKOPTD-UHFFFAOYSA-N 429.954 5.177 0 40 IKAB Cc1nn2c(Nc3cc(Cl)cc(Cl)c3)cc(C(C)(C)C)nc2c1-c1ccccc1 9449582 DWGGUFYEWJWCFC-UHFFFAOYSA-N 425.363 7.053 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)nc2ccccc21 9492376 JZJAWFICUDEIAP-UHFFFAOYSA-N 430.533 5.039 0 40 IKAB O=C(c1ccc(COc2ccccc2)o1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9545485 HAXOZCRSFFTSKK-GOSISDBHSA-N 434.517 5.294 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 11614354 VVACOMSEIWXRBX-HSZRJFAPSA-N 442.515 5.754 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccccc3)o2)sc2c1CC[C@H](C)C2 11689919 YYCNLXWTKWNYIV-INIZCTEOSA-N 437.561 5.881 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3cc(C(C)C)on3)cc2)on1 12159141 RXLZIEOSMNHOLW-UHFFFAOYSA-N 445.523 5.272 0 40 IKAB COc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2C)cc1 12407348 WLVWVCSLBLSOAH-UHFFFAOYSA-N 440.565 5.088 0 40 IKAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3Cl)n2)cc1 12442139 MFRPSHSUXQUZSK-UHFFFAOYSA-N 442.903 5.358 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)cc12 12681752 GDYHIRBINDEAMB-UHFFFAOYSA-N 448.596 5.299 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](N[C@H]1CCOc2ccccc21)c1ccccc1 12750529 QYHDDDJIQPLJKA-UNMCSNQZSA-N 426.438 5.499 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c1=S 12805902 QGGVUAZZKMAKAL-AWEZNQCLSA-N 444.029 6.015 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)Nc1ccnn1Cc1c(Cl)cccc1Cl 12821024 IFAVNPNWAGCSRP-UHFFFAOYSA-N 441.318 5.383 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@]2(O)C1 13423785 MCXULCLKYCWUMP-XPAMVJPWSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1C 13497181 BUNFNNHXNDAZSW-HSZRJFAPSA-N 442.625 5.116 0 40 IKAB Cc1cc(Br)c(Cl)cc1N1C(=O)[C@H]2CC[C@@H](c3ccccc3)C[C@@H]2C1=O 13856013 VXXMOYSZEUWRGL-PMPSAXMXSA-N 432.745 5.484 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 13880043 YEUUTNVZFKYAEG-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 13946122 QUSWTOAECVPGIT-UHFFFAOYSA-N 425.319 5.850 0 40 IKAB COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC 15905993 VOOADTMWIVUBID-UHFFFAOYSA-N 430.554 6.512 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2CCC(c3nc4cc(Cl)ccc4[nH]3)CC2)cc1 15987562 GNZOGHIBRLASHC-UHFFFAOYSA-N 431.989 5.082 0 40 IKAB CC(=O)C1=NN(c2ccccc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 16138855 WKHDEPYOONTQRA-JOCHJYFZSA-N 444.749 6.575 0 40 IKAB COc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1Cl 16284420 XKCUPYRCQYGHHK-UHFFFAOYSA-N 442.906 5.796 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc3ccccc23)CC1 16884359 RJBNIEIEAZUYBI-UHFFFAOYSA-N 441.358 5.315 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 17095943 OSRYQJBLUSKNLI-GOSISDBHSA-N 428.532 6.643 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 20065936 ZCDIHHJXGNEULZ-UHFFFAOYSA-N 442.603 5.297 0 40 IKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1OC 20151154 SJCPZIMGLMIIEJ-VZUCSPMQSA-N 427.884 5.152 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c(Cl)c1 20611170 VSDMLCFBZDYILE-UHFFFAOYSA-N 438.890 5.156 0 40 IKAB C[C@@H](NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 21595556 VSJPKMFURJMJSP-ISBXFQTDSA-N 434.605 5.555 0 40 IKAB C[C@@H]1CCN(C(=O)CNc2ccccc2NC(=O)c2ccccc2)c2ccccc2S1 24661625 PVCRZGVBSIKESI-GOSISDBHSA-N 431.561 5.268 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)NCc2ccccc2)c2c[nH]c3ccccc23)cc1OC 25082133 HOJHOLFNNIDMIE-JOCHJYFZSA-N 443.547 5.207 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(CN2CCCC2=O)cc1 32736198 LIZKRDTZNZTNSN-UHFFFAOYSA-N 445.485 5.070 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4cccc(Br)c4)no3)nn2)cc1 33021904 QGSATBSUDIKAGH-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB CCOP(=O)(CCCCCCCCCCCCP(=O)(OCC)OCC)OCC 38594932 FQOSCOKXLMUKFA-UHFFFAOYSA-N 442.514 7.420 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc2c3c(cccc13)CC2)[C@H](c1ccccc1)C1CCCC1 67194125 IOEOKVOYHXSRMC-FIRIVFDPSA-N 445.606 7.118 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc3c(c2)OCCO3)c(C)c1 67297162 ALICLFKMSZHRDA-RQZHXJHFSA-N 426.472 5.306 0 40 IKAB O=C(Nc1nnc(C(F)F)s1)c1ccc(Oc2ccc(Br)cc2)c(F)c1 84419153 GOJNGBCMNXLWAI-UHFFFAOYSA-N 444.232 5.422 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)c1ccccc1 100366953 JJYPPLLEFKACEV-LONBXWGNSA-N 449.635 5.412 0 40 IKAB COc1ccc([C@@H]2c3c(ncn(Cc4ccco4)c3=N)Oc3ccc4ccccc4c32)cc1 100557523 TVZKPSIKBLOQJQ-QHCPKHFHSA-N 435.483 5.452 0 40 IKAB aggregator COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 107042842 PPGVRFLVCUDOHZ-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 108045714 ZFGOPZRZCJIWRT-GOSISDBHSA-N 449.407 5.541 0 40 IKAB O=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)S1 113833339 IQXRGJIWSCELFI-YBFXNURJSA-N 440.318 5.505 0 40 IKAB CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914982 WPHICUIXBCASRI-PFJNVHAYSA-N 434.617 5.034 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](CC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220704047 PALLUVSZOOHVLA-SFHVURJKSA-N 443.396 5.048 0 40 IKAB CN(c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1)S(=O)(=O)c1ccccc1 222528673 INDPSHVJICXIBM-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222732864 IXCFALQPRHDEBL-NRFANRHFSA-N 436.640 5.557 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 223028927 CUUQSHXUJJPSEF-RTBURBONSA-N 447.044 5.214 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223117384 IIVZPRWWATYBIR-OAQYLSRUSA-N 436.640 5.291 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 223189092 IRPBYGYILIVTNM-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 223424049 OOFWYQADESAWNS-LYBHJNIJSA-N 433.979 6.373 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 223434351 RLMMVUHOORAGGP-QHCPKHFHSA-N 442.575 5.015 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 223720395 MLGWQCISGCDOJP-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)cc1 223992929 PCDKKEJDRSGUAB-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224054654 LWPXYUQMGXROPF-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 224087317 LSBIRNIKWZXQDE-UHFFFAOYSA-N 442.606 5.119 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224182045 TWUNCAVXBZUGRB-DHIUTWEWSA-N 441.512 5.217 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 224849360 YCMXYDVZEDZCSJ-QHCPKHFHSA-N 446.513 5.090 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1C1CCCC1 225008700 MQHGUUQMXCNBOK-YADHBBJMSA-N 445.617 5.397 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 225118183 YHYGNOOXYVRKSV-SANMLTNESA-N 434.624 5.492 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225338333 MLOOPWAVCQBJIG-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2ccccc12 225779418 ZHTPUGUHYHJRDW-UHFFFAOYSA-N 437.967 6.359 0 40 IKAB O=C(NCCOc1ccccc1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257296323 RCGLOXTZBQQFKX-UHFFFAOYSA-N 433.523 5.027 0 40 IKAB COc1ccc(Cc2ccc(C3CCN(Cc4c(C)[nH]c5ccc(F)cc45)CC3)nc2)cc1 257318627 VOTHRGWOYHVJRH-UHFFFAOYSA-N 443.566 5.989 0 40 IKAB O=C(N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2)C1(c2cccc(F)c2)CCCC1 257331694 XTWLERIHRRDOIU-NRFANRHFSA-N 441.518 5.006 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc2ncsc2c1 390828561 RYEDOHHKXRMZBK-UHFFFAOYSA-N 431.517 6.478 0 40 IKAB COc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC 408548833 LWCFEZSDUQQQJP-ZDLGFXPLSA-N 448.338 5.011 0 40 IKAB O=C1CS[C@@H](c2cccc(OCc3cccc(Cl)c3)c2)N1c1ccc(Cl)cc1 408557412 NGHUUMJJMQCBEM-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)cc2)cc1 408638786 DNBOULZPYRXRLS-OAQYLSRUSA-N 436.511 5.932 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)c(Cl)c2)c1 408697804 JSEWMRQUGHSEID-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc(Cl)cc1 408735431 RTGJNLOADTUVMX-UHFFFAOYSA-N 426.925 5.922 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3OC)c3ccccc23)C1=O 409128709 GMNIBBLUWKADRX-JCMHNJIXSA-N 436.533 5.175 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1C(=O)c1ccccc1 409181904 GOEODESBCJLMHY-UHFFFAOYSA-N 426.335 5.411 0 40 IKAB CC(C)CN(CCC(=O)O)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 585267405 LYBFSBJAUQCQHK-MHZLTWQESA-N 437.580 5.319 0 40 IKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccc(C(C)C)cc1)CCCCCO2 643579930 MXJRRKFSGPAPDY-UHFFFAOYSA-N 427.632 7.274 0 40 IKAB Clc1ccc(CCN2CCC[C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 1570009244 XRMDHHIBIBJVKT-FTJBHMTQSA-N 440.414 6.807 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 892445 FOZPPQQYBJXPOD-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB COc1cccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCC2)c1 920111 LEHXZOIBXBAOMJ-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N1CCC(Cc2ccccc2)CC1 1098233 NRROCMGXRWJEIZ-UHFFFAOYSA-N 441.980 5.776 0 40 IKAB CCc1cc(I)ccc1NC(=O)c1cc2ccccc2cc1OC 1266784 FMPOZWGPWMSTKN-UHFFFAOYSA-N 431.273 5.268 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cccs1 1333502 OJBAGCLOHOQZFM-HSZRJFAPSA-N 436.577 5.482 0 40 IKAB Cc1cccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 1793481 UVPPHAWAJQHQSX-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB Cc1cc2c(cc1C)CSC(c1c(O)ccc3cc(Br)ccc13)SC2 2060212 HRXLPQIVXRLKQP-UHFFFAOYSA-N 431.420 7.104 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 2081650 XKMHRYSFIACCJF-YVNNLAQVSA-N 439.845 5.850 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3F)c3c(C)oc(C)c3c(=O)c2)cc1 2107793 SZSTUHWHYNUPBL-UHFFFAOYSA-N 432.447 5.834 0 40 IKAB biogenic COc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 2442880 SARWNFQJTUQCNH-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB Cc1cccc(-c2cc(C(=O)Nc3ccc(Br)cc3F)c3ccccc3n2)c1 2741792 WIYHGRXIJHALRN-UHFFFAOYSA-N 435.296 6.364 0 40 IKAB Fc1ccc(CSc2nnc(-c3ccc(Br)cc3)n2C2CCCCC2)cc1 3290378 WPBZBVICZBPVOK-UHFFFAOYSA-N 446.389 6.644 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655603 BOZZUFXJVIYEFN-IBGZPJMESA-N 441.527 6.502 0 40 IKAB CCCOc1ccc(Cn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 6311319 WRBVOANFDHTYTM-QFIPXVFZSA-N 426.604 7.224 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1-c1ccccc1 6443214 ILRHBAZZZFLZCJ-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc2c3c(cccc13)CC2 8439645 NZAXLLCBJLNWJM-UHFFFAOYSA-N 431.542 5.115 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1ccco1 8445907 QXDFZFGQOFLUCJ-UHFFFAOYSA-N 430.323 5.466 0 40 IKAB CCCn1c(SCc2nc(-c3ccccc3C)no2)nnc1-c1ccc(Cl)cc1 8612657 QPFGXPYOWFMWAD-UHFFFAOYSA-N 425.945 5.659 0 40 IKAB CC(=O)N1CCc2cc(C(=O)[C@@H](C)Sc3ncc(-c4ccccc4)n3C3CC3)ccc21 8725625 LYWVJGLPCAXIGK-MRXNPFEDSA-N 431.561 5.158 0 40 IKAB CCCCCCn1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752893 HUQAYMYGBPQDMJ-QGZVFWFLSA-N 429.486 6.156 0 40 IKAB FC(F)(F)c1cccc(-c2ccc3cc(Br)cc(Br)c3n2)c1 8853846 VRHGAWKOXKALGY-UHFFFAOYSA-N 431.049 6.446 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9057613 PDGOEULEDVKQNC-RUZDIDTESA-N 426.545 5.505 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 9190457 RWVXDIVSBZZHTG-ZDUSSCGKSA-N 442.302 5.911 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(C)n1C(C)C 9478616 SPXBYKPXYVVRNF-UHFFFAOYSA-N 433.581 5.736 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)c(Cl)c1 9602484 OKWMZSVBTUWEDD-NSHDSACASA-N 436.965 5.177 0 40 IKAB O=C(O)C/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1 9612899 ILKXAFYCYALFLN-FOWTUZBSSA-N 448.931 6.217 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c1 12621955 ULZKVGNLNJEOJW-DEOSSOPVSA-N 447.506 5.569 0 40 IKAB CCCSc1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)s1 12822599 QSSCQIYDOXUNJG-UHFFFAOYSA-N 427.620 5.596 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCCCOCc4ccccc4)cc3)o2)c1 13019205 ZJLLMXJDTZELMB-UHFFFAOYSA-N 427.504 5.049 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Br)cc2)cc1)c1ccc(-n2cncn2)cc1 13109975 PYAIURFWKGNXEN-UHFFFAOYSA-N 435.281 5.074 0 40 IKAB CCOC(=O)c1sc2nc([C@H](C)Sc3cc(C)c4ccccc4n3)[nH]c(=O)c2c1C 13141534 QNNNUFLIOLAZEB-ZDUSSCGKSA-N 439.562 5.180 0 40 IKAB O=C(Nc1ccc(I)cc1)N1c2ccccc2Sc2ccccc21 13717084 NLZOINMICWKCHS-UHFFFAOYSA-N 444.297 6.126 0 40 IKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2cccc(Cl)c2)o1 13810909 FBVCQFXEPUZUMR-AWEZNQCLSA-N 429.995 5.334 0 40 IKAB O=c1[nH]c(/C(Cl)=C/c2ccc(-c3ccc(Br)cc3)o2)nc2ccccc12 15349897 PAAJPUFNQAATJO-WJDWOHSUSA-N 427.685 5.683 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)C)cc3)Cc3ccco3)no2)cc1F 15833980 CKGFAJPWLDYNJL-UHFFFAOYSA-N 432.495 6.348 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)c(C)c1 15911092 DGVWGDPSJXQCNQ-UHFFFAOYSA-N 436.512 5.239 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 15931502 XKSWRUYYSKZLQA-AHWVRZQESA-N 446.978 5.676 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1/C=C/C(=O)Nc1ccc2c(c1)CCC2 16044144 NSXCDXSZKNMWIK-VAWYXSNFSA-N 440.374 5.996 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(F)cc1Cl 16214732 DJKFJESKHBTXGG-UHFFFAOYSA-N 429.963 6.125 0 40 IKAB Cc1ccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1Br 16311804 NEQFJGDXGPJHCD-OAQYLSRUSA-N 443.724 6.192 0 40 IKAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)NCC1(N(C)C)CCCCC1 16694811 HLIOEXXOBYCWTP-UHFFFAOYSA-N 435.568 5.018 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)c1 17097220 FTHNKQPKJMOKRH-UHFFFAOYSA-N 430.879 5.665 0 40 IKAB COc1cccc(Cc2cc(C)nc(C3CCN(C(=O)c4c(C(C)C)noc4C)CC3)c2)c1 19687093 RLQBHWBACGJSBN-UHFFFAOYSA-N 447.579 5.429 0 40 IKAB COc1ccc(CCC(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cc1 19690256 WSRMSERAAOZQFG-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccccc1 19856267 QCAFTYGDRKCSNR-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB O=C(NC(Nc1ncc(Cl)cc1Cl)(C(F)(F)F)C(F)(F)F)c1ccccc1 19944293 AHMBRDCPWITMAX-UHFFFAOYSA-N 432.151 5.051 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n(C[C@H]2CCCO2)c1C 21568062 GGEYCMVUZRFYND-CXAGYDPISA-N 428.385 5.105 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(F)c2)c1 21577251 FXBALUSHIGCTLJ-UHFFFAOYSA-N 429.561 5.122 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072871 UIADNXLSJKIVSS-UHFFFAOYSA-N 441.331 5.995 0 40 IKAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 23157201 XRXKJLNNIFNUDF-UHFFFAOYSA-N 428.333 6.436 0 40 IKAB O=C(c1ccccc1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131629 GWCNQFAAEHTVHD-SFHVURJKSA-N 432.467 5.655 0 40 IKAB Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@H](C(F)(F)F)C3)c2=S)cc1 28783470 CBSXQBDVVKCSAM-KRWDZBQOSA-N 433.503 5.006 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 32127477 NEKKRIMBDCZXPL-UHFFFAOYSA-N 425.517 5.389 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(-c3cccs3)o2)cs1 32667984 XNQQVNRHDKLXPP-UHFFFAOYSA-N 428.564 5.540 0 40 IKAB C[C@@H](c1nnc(SCCCOc2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C 32739567 AWYYOAOLAFTSMJ-HNNXBMFYSA-N 434.968 5.244 0 40 IKAB CC(=O)Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccccc3)n2)c1 33429186 XYHZLGQDJQSASG-UHFFFAOYSA-N 429.423 5.607 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccccc2C)cc1OCc1ccccc1 33444725 ZFKAXTZFDJAJFT-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833938 BIUBGRCRLFYZCX-ZDUSSCGKSA-N 442.184 5.607 0 40 IKAB O=C(NCc1ccccc1Cn1ccnc1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 40023569 GELMHBCDSHOUGC-UHFFFAOYSA-N 425.410 5.140 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2Cc2ccc3nccnc3c2)n1 72377126 RRIDFCXZYPEJKQ-JOCHJYFZSA-N 430.943 5.050 0 40 IKAB O=C(c1ccc(F)cc1)N1CCCC[C@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377524 SNSNSPPVHBZWJA-SFHVURJKSA-N 445.420 5.141 0 40 IKAB Cc1sc(CNC(=O)c2ccc(C3SCCS3)cc2)nc1-c1ccc(Cl)cc1 84056960 HGHIHKNEWGHHED-UHFFFAOYSA-N 447.050 6.181 0 40 IKAB Cc1ccccc1-c1nc(C)c(CNC(=O)CSc2nc3ccccc3s2)s1 96102825 LECLKQZPHAQJKS-UHFFFAOYSA-N 425.604 5.445 0 40 IKAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)s1 100729257 BYWHUEPUXRTECY-WOVMCDHWSA-N 441.984 5.571 0 40 IKAB O=C1[C@H](CN2CCCCC2)C(c2ccccc2)=NN1c1c(Cl)cc(Cl)cc1Cl 100982387 ZMQCZEGPIMFEGI-MRXNPFEDSA-N 436.770 5.500 0 40 IKAB N=c1c2c(ncn1CCCn1ccnc1)Oc1c(ccc3ccccc13)[C@H]2c1ccccc1 101116821 LVYZNNTWFBQIKS-HSZRJFAPSA-N 433.515 5.088 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102718136 NEGSYGMGTQLUEP-SZNDQCEHSA-N 441.314 6.603 0 40 IKAB CC[C@H](C)NC(=O)[C@@H]1C[C@@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 106171054 QOXBPKJTVZKVHV-RZQQEMMASA-N 438.959 5.187 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccccc1F 106695939 RROARFGSATYJFJ-XKZIYDEJSA-N 437.467 5.780 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5cc(C)c(C)cc5o4)cc3)o2)cc1C 107958318 YTLMFEGBAYRDRV-UHFFFAOYSA-N 436.511 7.241 0 40 IKAB CCOc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(C)cc1 108041146 JRCXPWJOIMLOEY-UHFFFAOYSA-N 448.426 5.897 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222725167 ZKIIIORQRZPCOG-UHFFFAOYSA-N 426.409 5.763 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 222916143 ONTVAOZQNNWCDL-RUZDIDTESA-N 433.617 7.073 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222991406 BYHHDERUGZEVAZ-LJQANCHMSA-N 447.044 5.546 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1cnc(Br)cn1 223997608 UUXXOQKUNISOHK-UHFFFAOYSA-N 439.810 5.081 0 40 IKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 224065648 IQYBUMYUCCIIDS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224147892 AHEMNPNJSCIGPW-AREMUKBSSA-N 434.624 5.609 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C(C)C 224231462 MUDVPCXMHYUCLW-UHFFFAOYSA-N 435.520 5.667 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCC2)N1CCCNc1ccccc1 225040462 NPTREJUPISHHCR-RPBOFIJWSA-N 445.636 5.473 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)NC(c1ccccc1)c1ccccc1 225193794 NQZLZVHNWNXONF-UHFFFAOYSA-N 425.395 6.142 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 225523442 ATRZDVWJFDZCEI-CVDCTZTESA-N 444.616 5.089 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)NCCSCc1ccc(Cl)cc1Cl 225810489 YICBMIYRKXLOEG-UHFFFAOYSA-N 438.298 5.441 0 40 IKAB Cc1cccnc1Nc1cccc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)n1 257206318 BCVSYZZPAXXWIM-OAQYLSRUSA-N 447.627 5.102 0 40 IKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 408603164 BCECGPKLNWGPJE-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB COc1c(Br)cc(/C=C2\Sc3ccccc3NC2=O)cc1Br 409105098 JDOUHHZJKADBTD-ZSOIEALJSA-N 441.144 5.306 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)c(C)c4)C3=O)c[nH]c12 409157315 ILJQIVHBOWBRFR-JAIQZWGSSA-N 433.533 5.022 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)cc1Cl 409173623 MSUSGNWPTJTDAC-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CCC(=O)c3ccccc3)nc2-c2ccccc2)cc1 409204820 JVMOAPREBOBDKF-UHFFFAOYSA-N 426.541 6.387 0 40 IKAB CCCN1C(=O)S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C1=O 409359795 NPZGYTOGHCQKRR-LICLKQGHSA-N 443.887 5.661 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 955525 DZTOBADKYSNARD-UHFFFAOYSA-N 428.410 5.284 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc2cc(-c3ccccc3)nn2c1-c1ccc(Cl)cc1 988001 GSPRQOJAEVREGT-UHFFFAOYSA-N 445.931 5.550 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 990065 VLYCUTODYWPLLC-NDEPHWFRSA-N 427.544 5.300 0 40 IKAB CCOc1ccc(-c2cc(C(F)(F)F)nn2-c2nc(-c3ccc(OC)cc3)cs2)cc1 1020574 KEHBHRNPIGCMOS-UHFFFAOYSA-N 445.466 6.089 0 40 IKAB CC(C)c1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1365778 XLTGFCLBOYTKAB-OAQYLSRUSA-N 447.501 5.291 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1 1858238 YIRTYTNPPUNBSC-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 2256485 QUCLTTRYVNDGBS-GOTSBHOMSA-N 442.519 5.699 0 40 IKAB CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4 2275190 ZBAOYYSRXGOFQF-UHFFFAOYSA-N 438.622 5.502 0 40 IKAB COc1ccc(-c2noc(CCCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1OC 2444559 RWBCAHKCUUESSU-UHFFFAOYSA-N 436.295 5.022 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@@H]2Sc2ccc(F)cc2)cc1 3227058 RPPDJUJJHDZQBO-RPBOFIJWSA-N 449.572 6.154 0 40 IKAB CN(C)c1cccc(C(=O)O[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 3279867 VASOPKMZGRJUDH-NRFANRHFSA-N 443.330 5.596 0 40 IKAB Cc1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1Cl 3372764 XJNKPKJIUJZVAO-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1nncs1)c1ccccc1 3405622 IVBWZOMSIZKUPK-CQSZACIVSA-N 429.876 5.682 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864150 BILTULWMNASAJV-ZWKOTPCHSA-N 441.549 5.123 0 40 IKAB Cc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 6407307 PEEJRTKTLZHGAV-HSZRJFAPSA-N 433.433 6.154 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4c(ccc5ccccc54)o3)c2)cc1 8445702 ZYKXHJIDQFRYKM-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@H]2[C@H]1c1ccc(Cl)cc1 8453257 VPEICTQDOUWGTK-FYYLOGMGSA-N 436.342 6.549 0 40 IKAB CCCCOc1ccc(Cn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 8744046 DKDBDRQYMMBLFI-QHCPKHFHSA-N 440.631 7.614 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 8758980 OUFFKKSINOPFNO-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C(N)=O)C1 8832466 AVEALWGCFOXXEB-YKWSONSWSA-N 440.952 5.537 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 8836564 DQRZKBQMAHPXAR-LBPRGKRZSA-N 426.879 5.151 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 8837846 DSWJCNQJLMSPAN-NRFANRHFSA-N 430.379 5.737 0 40 IKAB C[C@H](NC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 8879431 HJYPHUVDQQPLPC-MBBDBFLNSA-N 448.632 5.355 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)cc1 9122076 GELAIDRTICEJSY-NZQKXSOJSA-N 441.369 5.586 0 40 IKAB Cn1c(-c2ccc3ccccc3c2)c([C@@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 9189902 SFFNIICXTUHWHH-NDEPHWFRSA-N 446.506 5.628 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288534 DVRRUPPGPNKHGX-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB COc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9291393 QBQHUJAQWDHEPP-IFMALSPDSA-N 434.337 5.954 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 9540401 MAPWYVCDDIKJPQ-JOCHJYFZSA-N 432.951 5.098 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(=O)oc4c(C)c(C)ccc34)n2CC(C)C)cc1 9632491 ZGDTZBMTDMGVHM-UHFFFAOYSA-N 449.576 5.625 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3ccncc3)n2C2CC2)c2ccc(C)cc2)cc1 9711833 SEOQYAUVNLJGDB-DEOSSOPVSA-N 440.572 6.008 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2)cc1)c1cccc(Cl)c1Cl 10338241 JOYQMMPZDMFBIK-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2sc(-c3ccc(OC(F)(F)F)cc3)nc2C)c1 12409960 UEIOGGHFNBQIGY-UHFFFAOYSA-N 435.427 5.228 0 40 IKAB CCn1ccnc1SCC(=O)N(Cc1cccc(OC)c1)C12CC3CC(CC(C3)C1)C2 12646461 OWGHQLYHQNLPBK-UHFFFAOYSA-N 439.625 5.001 0 40 IKAB CCOc1ccc(NC(=O)Cc2csc(SCc3cc(OC)cc(OC)c3)n2)cc1 13010343 PDCGFSPSLCAWSD-UHFFFAOYSA-N 444.578 5.033 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 13026661 KKOIOLGYZYMGDR-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB Cc1ccc(CN(C)Cn2nc(-c3ccc(F)cc3)n(-c3ccc(F)cc3)c2=S)cc1 13070158 IUZUDWZRRCTJOR-UHFFFAOYSA-N 436.531 5.746 0 40 IKAB COc1ccc([C@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 13070245 FOPPEBIIIMFZNG-GJZUVCINSA-N 444.531 5.135 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCC(=O)N(C)[C@H](C)c3nc4ccccc4s3)o2)c1 13120964 RPSXCYXSQQOKGL-OAHLLOKOSA-N 438.578 5.275 0 40 IKAB COc1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1Cl 13148915 GLEFSJUSCQIBSV-UHFFFAOYSA-N 425.699 5.530 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)Nc1nn(Cc2ccccc2Cl)cc1Cl 13330842 WNKUTAQDKWAGHA-UHFFFAOYSA-N 425.772 6.009 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC5CCCCC5)sc4C)ccc32)cc1 13564915 GDHAETWGGZCFQJ-UHFFFAOYSA-N 431.605 6.374 0 40 IKAB CCCOc1ccc([C@H]2C(C(=O)OC)=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 13634964 APTHEPLOFRJLME-VWLOTQADSA-N 439.515 5.424 0 40 IKAB O=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 14701102 UOTPPBVHARCDDI-UHFFFAOYSA-N 446.934 6.080 0 40 IKAB COc1cc(NC(=O)CSC(c2ccccc2)c2ccccc2)c(OC)cc1Cl 15474648 ZJYWPWBGIUMYHB-UHFFFAOYSA-N 427.953 5.819 0 40 IKAB Cc1csc(SCc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)n1 15964126 FVTLVXVRMKCOCU-UHFFFAOYSA-N 437.634 5.323 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1cc(C)c(Cl)c(C)c1 16161226 ZHMLSHIBCGCFAZ-UHFFFAOYSA-N 443.712 5.141 0 40 IKAB Cc1cc(C)cc(-n2c(SCc3ccc(Cl)cc3)nc3c([nH]c4ccccc43)c2=O)c1 17011011 GUVGXECEZPAUJY-UHFFFAOYSA-N 445.975 6.430 0 40 IKAB COc1cc(NC(=O)c2ccc(C)cc2Cl)ccc1NC(=O)c1ccccc1Cl 17096320 OZQRQYIXIADJAL-UHFFFAOYSA-N 429.303 5.815 0 40 IKAB Cc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc3c(c2)OCO3)cc1 19117347 RTUZCMYYJFBOFL-MUUNZHRXSA-N 433.511 6.111 0 40 IKAB Clc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 19928797 REBOYEXGEYJKRD-UHFFFAOYSA-N 438.727 5.774 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3o2)cc1 20411190 IKWCXFJDDWHFRG-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 20491152 DNBSGTDOAJINHB-JOCHJYFZSA-N 442.968 5.046 0 40 IKAB C[C@@H](NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 24751725 ZPMRYJQTAZCQIX-CQSZACIVSA-N 447.482 5.309 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccc(OCc3noc(C)n3)cc1)oc1ccccc12 25455292 QKXCWIKLFJSGNI-UHFFFAOYSA-N 429.432 5.117 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCC(C)(C)N1CCc2ccccc2C1 25464487 SVABAGPKYOIOEM-UHFFFAOYSA-N 441.934 5.009 0 40 IKAB COc1ccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 26780075 ULLSIWNPNUJCDK-UHFFFAOYSA-N 448.979 5.688 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1F 27989877 BFMLGIGKZHKATK-QFIPXVFZSA-N 441.934 5.400 0 40 IKAB CCCCCCOc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2O)cc1OC 34765878 ASRPWCXSOBNXME-CYVLTUHYSA-N 438.549 5.326 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cccc(F)c3)cc1)=NCC2 35332713 CVOYXNOHKXFVQL-UHFFFAOYSA-N 433.483 5.075 0 40 IKAB O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1cccc(Cl)c1 35400371 OEYVYNCMTRGJTG-UHFFFAOYSA-N 431.898 5.435 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38850548 BZCTXVUBCYKPKD-CQSZACIVSA-N 431.285 5.863 0 40 IKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(F)cc2)cc1Cl 46079011 KNVWMAZPTNHQBT-UHFFFAOYSA-N 438.886 5.333 0 40 IKAB COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)ccc1NC(=O)CCc1c(C)noc1C 57994801 HPTUAQKORGATKE-UHFFFAOYSA-N 446.425 5.335 0 40 IKAB COc1ccc(OC)c([C@H](C)N(C(=O)Cc2c(Cl)cccc2Cl)c2cnn(C)c2)c1 58277756 OUMKAFLSSPAOSC-AWEZNQCLSA-N 448.350 5.081 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 59010455 KHMQMDTWSWDVJU-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3nc4ccccc4n3C(C)C)n2)n1 72375391 POGSDWXKBFUSOB-FQEVSTJZSA-N 432.597 5.858 0 40 IKAB O=C1C[C@@H](Sc2nc(-c3ccccc3)cs2)C(=O)N1c1cc(Cl)cc(Cl)c1 100968269 IBNOLKNERLJVEQ-MRXNPFEDSA-N 435.357 5.541 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)CC(c3ccc(C)cc3)=Nc3cccnc32)cc1 102844679 IHNVKQWBIDXFCV-UHFFFAOYSA-N 440.547 5.229 0 40 IKAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1ccc2ccccc2c1 108027768 NSWLKMFEWPOWMN-UHFFFAOYSA-N 434.495 5.695 0 40 IKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927560 FDKJNVMJOZNFQP-PHCSLUTCSA-N 430.629 6.086 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c(OCC)c1 205683839 WZZJACKWQVZCHE-DJKKODMXSA-N 435.904 5.513 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(Cl)cc1Br 218858128 ZAZLKPGXZJKTTD-MRXNPFEDSA-N 438.749 5.208 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222840353 ULBVPLHCXGRCFU-WOJBJXKFSA-N 430.499 5.272 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)N(C)c3ccc(C)c(C)c3)cc2)cc1 222877341 ZTSXHHBFZKRUBF-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 223085965 IAIBNOUSMSINCD-LJQANCHMSA-N 428.532 5.088 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223416726 RINRAOIEPJBLOR-DNQXCXABSA-N 432.593 5.180 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3cccc(Cl)c3)ccc2C)cc1 224101182 SRZPKZXPBJQYLT-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)c1 224229228 KYTCQFYPTJSQCG-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 224314344 SALIXBZYCPKUKR-QGZVFWFLSA-N 433.935 5.856 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1C 224338916 SSUVNQXHZBCSDE-GOSISDBHSA-N 449.422 5.342 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1C 224370478 CFKHYEOYFHNCSO-UHFFFAOYSA-N 444.358 6.210 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224384704 BIBHAPXLZPGTIX-AREMUKBSSA-N 446.566 5.291 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 224583633 IPQFUYUHKHSDAJ-RUZDIDTESA-N 438.612 5.077 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224605369 RLTDHSCPINPGOR-DEOSSOPVSA-N 438.637 5.078 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224643720 UKSYVIPSAOFDAR-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCCCc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1 224889923 BKMUKTGMJCUSDC-UHFFFAOYSA-N 427.342 6.018 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 225056087 YGHQFIDCDQSFQX-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225164890 MVYVXCOWEJZOEE-DLBZAZTESA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 225169243 VBXSVFOWAIUJSP-HXUWFJFHSA-N 444.616 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 225515454 ZLAYSEFENRKQGC-CVDCTZTESA-N 445.003 5.058 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225544024 UATDRISEFDVWSI-DHLKQENFSA-N 438.612 5.185 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225662408 QXRHUZLBLWBSNP-CPJSRVTESA-N 440.603 5.604 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225723129 APVBAEVAOASQBZ-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766384 VYSLGHUMYXPXCR-UHFFFAOYSA-N 435.995 7.369 0 40 IKAB COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OCC(C)C)c3ccccc23)CO1 225921342 VKROZKHOBPIMOV-UHFFFAOYSA-N 449.547 5.574 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2ccc3ccncc3c2)CC1 257236846 HEAJUDZOMUQPTO-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB COc1cc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)cc1OC 257278461 OCJRDYXPGYBUAM-UHFFFAOYSA-N 444.915 5.007 0 40 IKAB C[C@]12C[C@@H](Cc3ccccc3)N(C(=O)c3ccccc3-c3ccccc3)[C@H]1CCCC(=O)N2 257331681 XTUPHWPXRVVDOU-IXLXJOPFSA-N 438.571 5.238 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CN1CCC[C@@H](c2ccc(Cc3ccccc3)cn2)C1 257343854 ZURGCJOBWCJDOJ-HHHXNRCGSA-N 441.619 5.289 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2C)cc1OC 408553626 BAZFDCOPJWWQBI-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 408572744 IAJWZSZNZABNSY-AWEZNQCLSA-N 426.365 5.025 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408637588 ANGOESJJUBOPNI-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(OC)cc3)nc2-c2cccc(Cl)c2)cc1 408694079 HYTSJCOCKSZMAF-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)cc1C 408697789 JNCKFYSYFXLFHV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1 409058237 JQGVYRAVNZXUDU-HMAPJEAMSA-N 435.932 6.468 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c3ccccc32)cc1 409131429 JAUDKIQSBXKVPC-MFKUBSTISA-N 444.600 6.615 0 40 IKAB CCOc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 409145621 ORNYRVXWXDIGDU-NRFANRHFSA-N 431.529 5.066 0 40 IKAB CC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872775 OMSVFHNZZKLKJW-GRSYGWAWSA-N 440.555 6.074 0 40 IKAB CSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc(Cl)c3C)o1)Nc1ccccc1-2 694498 SNZAJUCWGJAHRK-FQEVSTJZSA-N 436.924 5.985 0 40 IKAB COc1cc(/C=C2/N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1cccc(C)c1 842765 MKBPZRQBGGTNQS-WOJGMQOQSA-N 439.920 5.642 0 40 IKAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1c(C)cccc1C 916071 WAQHXDQXMDJMPY-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccccc2F)cc1 982824 NCBQNYSQXOKQPW-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2O)cc1 1223787 NIOBFELBPIRAOZ-GOSISDBHSA-N 444.560 5.376 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1320550 HZVMPAWGOGNNRP-MHZLTWQESA-N 431.507 5.131 0 40 IKAB CCc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)cc2c1 1367707 SWQHJOVOALHFBC-UHFFFAOYSA-N 448.906 5.615 0 40 IKAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Oc1cccc(Cl)c1 1389403 PQRBHHSJALIZGX-UHFFFAOYSA-N 431.748 5.415 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cccs4)cc3n2)cc1 1831027 ZQSCQAVFXFLCHM-UHFFFAOYSA-N 449.605 5.260 0 40 IKAB Cc1ccc(Cl)cc1NP(=O)(Oc1ccccc1Cl)Oc1ccccc1Cl 1846659 XUDJBWLOCOILOB-UHFFFAOYSA-N 442.666 7.633 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2088278 NJKAVASOUXSULQ-UHFFFAOYSA-N 445.360 7.040 0 40 IKAB Cc1nn(C)c(Cl)c1/C=C/NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2150062 VHEWEAWJUSHWMG-ONEGZZNKSA-N 426.748 5.212 0 40 IKAB c1ccc2c(c1)CC1(CCCCC1)c1c-2ncn2nc(COc3cccc4ccccc34)nc12 2254309 HVYYDBKYTSBYOV-UHFFFAOYSA-N 446.554 6.282 0 40 IKAB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccccc1)c1ccccc1 2352644 SOJKJWFQCFBEPQ-DFXYEROKSA-N 441.336 6.133 0 40 IKAB Oc1ccccc1-c1nc(Oc2ccc3ccccc3c2Br)c2ccccc2n1 2406932 IZPZNTVZWXTSFS-UHFFFAOYSA-N 443.300 6.710 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccc(C)cc2)cc1 2412845 DQTODOFSNONAHD-UHFFFAOYSA-N 442.559 6.020 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)Nc3ccc4ccccc4c3)cc12 2642008 IHDSTIDUMHBBMF-UHFFFAOYSA-N 442.569 5.675 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3cc(C(=O)OC)oc3C)cc12 2667118 TVVNFEGWWNFOOT-UHFFFAOYSA-N 434.444 5.544 0 40 IKAB biogenic Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1C 3261225 QADCPUMDMBHZCT-UHFFFAOYSA-N 444.318 5.544 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2C(F)(F)F)c2ccccc2)c1 3280621 ZGRMMHRZJMLQSK-NRFANRHFSA-N 441.405 5.445 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccc(OC(F)F)cc1 3324237 LXDBJUKQCLTUBF-UHFFFAOYSA-N 446.258 5.605 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2-c2ccccc2C(C)C)cc1 3326386 ZZQNCOSOTWSBOS-UHFFFAOYSA-N 448.514 5.137 0 40 IKAB COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 4144012 BTUTYNXWDXRDAN-GQHLQYEBSA-N 431.576 5.335 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237087 PNVIHLCOPJNQCE-FDDCHVKYSA-N 438.502 5.067 0 40 IKAB biogenic,in-vitro C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 4413501 IRKARXPTWCTTMK-GFQWBHFJSA-N 425.572 6.006 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)c(C)c1 4784426 BSZBQWQTIUGGNM-MUUNZHRXSA-N 427.544 5.236 0 40 IKAB CC1(C)CC[C@@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)C(=O)CC[C@]54C)[C@@H]2[C@@H]1OC3 4903518 XGDVSJLOTVQNKY-LKFYGHDWSA-N 440.712 7.446 0 40 IKAB C[C@@H]1C(=O)[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5004601 DSEKYWAQQVUQTP-HXBUJRIMSA-N 442.728 7.428 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccc(Cl)c(C)c3n2)cc1 8383514 YTYKYMMCFNEUOU-UHFFFAOYSA-N 447.893 6.351 0 40 IKAB CCCOC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCCC2 8444205 QFWYSEREOGALKZ-DTQAZKPQSA-N 439.621 6.533 0 40 IKAB O[C@@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccccc2)cs1 8711376 LQHAPRNSAWPMSM-JOCHJYFZSA-N 439.462 5.829 0 40 IKAB O=C1N[C@@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8722577 NUTNAYUGESEVSS-XMMPIXPASA-N 425.557 5.314 0 40 IKAB COc1ccc(Cc2nnc(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)o2)cc1 8862275 CQMVAGHGWLVMJE-QHCPKHFHSA-N 445.544 5.450 0 40 IKAB C[C@H](NCc1ccc(OCc2c(Cl)cccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 8874174 BSVQZDXYLITYTK-MPVQEXEOSA-N 444.446 7.267 0 40 IKAB COc1ccc(C2=NN(c3ccc(C(F)(F)F)cc3)[C@H](c3ccc(Cl)cc3)C2)cc1 8925834 GLMVYHKUVPXMMI-QFIPXVFZSA-N 430.857 6.723 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4oc5ccccc5c4C)c3)nc2c1 8986463 MDJFMKYQDBAESM-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB Cc1ccccc1C(=O)NC(=S)NCc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 9142218 JFHVEGFLSZYCMU-UHFFFAOYSA-N 443.572 5.731 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(OC(F)F)cc3)=NN12 9332337 RXUKIKMBSHAQDO-OAQYLSRUSA-N 427.495 5.034 0 40 IKAB O=C(COc1ccccc1N1C(=O)c2ccccc2C1=O)c1ccc(-c2ccccc2)cc1 9371503 QYVHZYLNSZHLKK-UHFFFAOYSA-N 433.463 5.416 0 40 IKAB COc1ccc(Oc2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)cc1 9410159 RQVBBMIXWPYYBB-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9463810 MWFZVVFHWBXVSS-DHZHZOJOSA-N 447.844 5.613 0 40 IKAB O=c1c2c(nc(SCc3c(F)cccc3Cl)n1CCc1ccccc1)CCS2 9602695 XPEJRXFKXXSXSH-UHFFFAOYSA-N 432.973 5.219 0 40 IKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1F 9606416 AHYBOYAIXOFAQI-HXUWFJFHSA-N 429.829 6.317 0 40 IKAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cc3ccccc3)cc2)cs1 9712676 OAHJOEXWKURNHS-UHFFFAOYSA-N 448.569 5.057 0 40 IKAB CCc1cccc(CC)c1NC(=O)COc1ccc(Br)cc1Br 9985860 ZPKSBAHQQDIBIK-UHFFFAOYSA-N 441.163 5.354 0 40 IKAB CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1 12192225 NDKACQGBXQYWOY-IAPPQJPRSA-N 426.560 6.888 0 40 IKAB O=C1CCCCC[C@H]1Sc1nnc(-c2ccncc2)n1-c1ccc(Cl)c(Cl)c1 12521667 BZMUYQUFFRILDK-GOSISDBHSA-N 433.364 5.630 0 40 IKAB Cc1nn(-c2ccccc2Cl)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12564923 ZZKNQLQJYBMYOK-XMMPIXPASA-N 446.341 6.477 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Sc1ccccc1 12812036 MPYFHJIKELUTBF-INIZCTEOSA-N 433.558 6.007 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)Cc3ccc(Cl)cc3)cccc2c1Cl 12843087 QFDIWFCWQUIZMR-UHFFFAOYSA-N 435.376 5.918 0 40 IKAB CCCCCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 13075844 PVKCOKFRMIJKAF-AWEZNQCLSA-N 435.515 6.153 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)Cn2nc(-c3cccnc3)n(C)c2=S)s1 14197692 MAXNAANCQBMVSU-UHFFFAOYSA-N 435.622 5.085 0 40 IKAB Cc1oc(-c2ccccc2)nc1COC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 14731043 PCCRUXCNVGXWBZ-CMDGGOBGSA-N 425.868 5.221 0 40 IKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 16757743 YDBAJAKILHMUPZ-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 17094340 RBEUSPLPBQFHNE-LLVKDONJSA-N 425.381 5.557 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 17096361 ZXJJOTKVKPSLCO-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 19220178 XKPNINLRIRRADH-CTNGQTDRSA-N 427.552 5.092 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)N(C)C)cc1 19897859 ZGGXVPBFIYZNBO-CVDCTZTESA-N 444.556 5.011 0 40 IKAB C[C@@H](NCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 22074161 GJLAWZYMGGILIF-MRXNPFEDSA-N 430.773 6.532 0 40 IKAB Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C(C)(C)C)C2)cc1 22255706 DLJNRLLPFDRPLX-JOCHJYFZSA-N 446.595 5.397 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 22510448 VNULVQGADOAOLE-UXHICEINSA-N 430.548 5.707 0 40 IKAB CNC(=O)C(NC(=O)c1ccccc1)=C(Sc1ccc(C)cc1)Sc1ccc(C)cc1 27562147 BKBALWJMWTXUOB-UHFFFAOYSA-N 448.613 5.533 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1C 27834792 OZFXPOJXYUSITQ-UHFFFAOYSA-N 437.293 5.832 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)CSC(c2ccccc2)c2ccccc2)c1 30524302 MUVKNMJNNTYRAA-UHFFFAOYSA-N 432.589 5.630 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(Cl)cccc1Cl 30854941 YBTOYLZEWMVVLY-NRFANRHFSA-N 448.415 6.354 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)Nc1nc(C)c(-c2ccccc2)s1 31967768 JROVPGXXTFUEGA-UHFFFAOYSA-N 438.603 5.920 0 40 IKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 32610229 RVJRDAXAXKKASZ-MSOLQXFVSA-N 430.335 5.585 0 40 IKAB Cc1ccc(-c2csc(-n3c(NC(=O)c4ccc(Br)o4)cnc3C)n2)cc1 32616207 GRSHIIPSRNTKEF-UHFFFAOYSA-N 443.326 5.220 0 40 IKAB Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2cccc(Cl)c2)n1 49001794 CRJRAGFEKOXCIJ-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)cc1 57488434 IDBQSPQBEKELLH-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)c3c[nH]c(=S)n3-c3ccccc3)s2)cc1Cl 58613520 AOMKFEBJQUALAX-UHFFFAOYSA-N 440.981 5.796 0 40 IKAB Cc1cc(C)n([C@H](C)C(=O)Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2Cl)n1 60166532 QYYLMYQYMSMHCC-CYBMUJFWSA-N 449.313 5.398 0 40 IKAB CN(C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2)[C@@H](c1ccccc1)c1ccc(F)cc1 65565103 FVENYPAMSFMMQC-QFIPXVFZSA-N 439.874 5.063 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)c(Cl)c3)oc12 67295723 FWDADYPAMIIJER-VYIQYICTSA-N 437.858 5.422 0 40 IKAB CCOc1ccc2ccccc2c1C(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 90557761 FENOOEYZRHTZJH-UHFFFAOYSA-N 433.533 5.370 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1cccc(C)c1C 97987574 JYXLTOXWFXDJGE-CIAFOILYSA-N 445.544 5.406 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100211897 NMYYXEBZXDEMHM-WSUXWNOTSA-N 425.370 5.345 0 40 IKAB O=Cc1ccc(OC(=O)[C@@H]2C[C@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)cc1 100930682 WYZONEKYHPKPHC-HERUPUMHSA-N 448.944 5.256 0 40 IKAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2ON1c1ccccc1 102755966 UMZFKDLJITZBCJ-JIMJEQGWSA-N 434.495 5.199 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 222801231 UHHDLMICQZCVLY-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 223839048 AKRONMLOTYLZSF-LJQANCHMSA-N 436.983 5.369 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1C(C)(C)C 224170488 KUYUVTDCMCCVAU-UHFFFAOYSA-N 441.930 6.617 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224176746 XHFOYHHAAKHQSY-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224214472 UKHCQHYZVNVORG-OAQYLSRUSA-N 437.539 6.432 0 40 IKAB CCOc1ccc(C(=O)NC[C@@H]2CCCO2)cc1COc1ccc(-c2ccccc2)cc1 224552612 WPXKVWBBDTWERU-VWLOTQADSA-N 431.532 5.240 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225122079 OZIVAGOMSWQVOZ-RUZDIDTESA-N 436.640 5.559 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225284839 DTTOXZVVOVWLIZ-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225493863 KVSYOSIGLGJIKY-XMSQKQJNSA-N 447.044 5.463 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCCC1 225556000 BQBTXWWSRZRLJO-UHFFFAOYSA-N 432.391 7.155 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCS[C@H](c2ccccc2F)CC1 225740646 QOTVDGSCLHRWBD-KRWDZBQOSA-N 428.754 5.562 0 40 IKAB Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)cc1 226303168 IDJQKOBFZVUFTD-UHFFFAOYSA-N 425.370 5.751 0 40 IKAB CO[C@H](C[C@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)O 248182332 ZKFBRKHIPWOLIH-BBATYDOGSA-N 445.726 5.269 0 40 IKAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)CCc4ccccc4)CC3)CO[C@H]21 257202317 ALGKBCFJXRZWNC-WIOPSUGQSA-N 449.591 5.185 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@H]3C[C@H]21 257202962 AOAFXEMCQCJBLD-TUUKDFBESA-N 441.955 5.178 0 40 IKAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 257314865 UYVTWFPSXONPCR-HXUWFJFHSA-N 448.567 5.166 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 260812504 DNRPOXFTSCKQJT-MCEYFSPLSA-N 432.649 5.747 0 40 IKAB CCOc1ccc(NC(=O)c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 408553843 PVKBXCCUQUDESL-UHFFFAOYSA-N 439.939 6.277 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2Cl)cc1 408558790 VTCSSUSDMYTBHA-QHCPKHFHSA-N 444.383 6.659 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 408605976 ZQODVMDJZPJWJJ-PXLXIMEGSA-N 446.528 5.304 0 40 IKAB CC(C)COC(=O)c1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)cc1 408665581 FZRRBLNFYYUUCH-UHFFFAOYSA-N 447.487 5.087 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2C(C)C)cc1 408677119 QDNOAYIXOKVSLV-UHFFFAOYSA-N 440.543 6.258 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 408679340 VZYYGZDPJHEDRK-UHFFFAOYSA-N 432.907 5.788 0 40 IKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408699194 VILRXXKXVNGXAA-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(Cl)ccc2C)c1 408699422 WTYRKCSCCWXXCO-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N3CCCC[C@H]3C)nnc2-c2ccc(Cl)cc2)c1 409209476 FQTVBRUYSYZCBB-QGZVFWFLSA-N 441.000 5.389 0 40 IKAB Cc1cc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c(C)c1 682903 ITJVBVAKLJPRFE-CYBMUJFWSA-N 441.163 5.543 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1N1CCOCC1 801932 DRDAJDJOTVWRLH-UHFFFAOYSA-N 445.997 5.031 0 40 IKAB Cc1cccc(C(=O)N[C@H](NC(=S)Nc2ccc(C)cc2C)C(Cl)(Cl)Cl)c1 836718 YIHQJNZPBXHQLN-QGZVFWFLSA-N 444.815 5.025 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 884830 GYEHFZZKKPDRBX-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1 999326 FCXHLVFSOAZKBF-CXUHLZMHSA-N 425.484 5.769 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 1378247 NYDISHNFQJBQEH-UHFFFAOYSA-N 449.913 5.863 0 40 IKAB O=C(NC(=O)[C@@H](Cc1ccccc1)c1ccccc1)[C@@H](Cc1ccccc1)c1ccccc1 1622460 LZTSRBKLLPUGCI-NSOVKSMOSA-N 433.551 5.682 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCC2 1773504 HHDBSYFCDXMFAT-UHFFFAOYSA-N 429.582 5.509 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(F)cc3Cl)cc2o1 2113760 GDPQBGMDCZWSEC-UHFFFAOYSA-N 448.833 5.938 0 40 IKAB biogenic CCc1sc(N(C(=O)Cc2ccccc2)c2cccc(F)c2)nc1-c1ccc(C)cc1 2170722 RLSRHGDVFBUUKK-UHFFFAOYSA-N 430.548 6.727 0 40 IKAB aggregator CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 2448379 BKICWWZYJGMOGJ-UHFFFAOYSA-N 428.561 5.789 0 40 IKAB COc1ccccc1[C@@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 2451934 LUZQTDPKABVXEN-DEOSSOPVSA-N 427.529 5.323 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(C)cc3)c2Br)cc1 2733451 GAXHJJNPRSPHTE-UHFFFAOYSA-N 437.768 7.239 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)c1cnccn1 2762110 CJRRBQNZBWCYCF-UHFFFAOYSA-N 449.576 6.070 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 2767240 BFXLYVVNEZCVEZ-HZPDHXFCSA-N 449.956 5.383 0 40 IKAB CCc1c2c(nc3sc(C(=O)c4ccc(Cl)c(Cl)c4)c(N)c13)CC(C)(C)CC2=O 2889300 VCDHDJUVUCSIQX-UHFFFAOYSA-N 447.387 6.134 0 40 IKAB O=C(N[C@@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1cccnc1 3091958 YZENESUZOSIEII-CYBMUJFWSA-N 447.071 5.292 0 40 IKAB CCCCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccccc2s1 3253180 FKIXASVLQIDJAW-UHFFFAOYSA-N 443.597 7.020 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)ccc21 3455097 WTJFOAOSJHNGGL-UHFFFAOYSA-N 439.515 6.251 0 40 IKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4073275 WAIQWYALYSCYLA-AZTIFOECSA-N 426.729 8.455 0 40 IKAB biogenic Cc1ccccc1-c1nc(SCC(=O)NC(C)(C)C)c2c3c(sc2n1)CCCC3 4968353 XSGBXMZNFRXEDN-UHFFFAOYSA-N 425.623 5.552 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CC(c4ccccc4)c4ccccc4)cc3)sc2c1 8721918 LKCYRSFZBLLMAE-UHFFFAOYSA-N 448.591 7.432 0 40 IKAB CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 8830808 PRGOLMDVDWHHTR-UHFFFAOYSA-N 430.548 6.278 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 8871078 OTOFQXHBCSFACT-MRXNPFEDSA-N 449.986 5.754 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1 9027238 NWKNMLIBUOWDLP-UHFFFAOYSA-N 448.514 5.529 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2cccc(Cl)c2)CC1 9063341 BYHAKORVGWGHEC-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@@H]4c2ccccc2)cc1 9192200 KCJYETCVDAPIKX-QHCPKHFHSA-N 436.471 5.003 0 40 IKAB C/C=C/c1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)c(OC)c1 9344878 NIXPSIYCMVWCCS-QPJJXVBHSA-N 442.515 5.193 0 40 IKAB CCc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccco4)c3c2N)cc1 9369940 UDZCUYZACRGVCT-UHFFFAOYSA-N 439.540 6.620 0 40 IKAB O=C(CCc1ccccc1)Nc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1Cl 9440397 SWSATIJHHWUGAJ-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB COc1ccc(-c2csc3ncnc(OCC(=O)c4ccc(Cl)s4)c23)cc1OC 9494301 QKCRBKQGNCVJSG-UHFFFAOYSA-N 446.937 5.352 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 9580647 WNDHLPYMBVOIQD-LJQANCHMSA-N 441.245 5.384 0 40 IKAB CCc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 9591927 LAZDJAFRGNPLMH-MRXNPFEDSA-N 431.463 5.771 0 40 IKAB CC[C@]1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 9599241 JXJUXNWNKLSSBC-FQEVSTJZSA-N 430.371 5.148 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 9633051 JCKAOPNYZSUTIO-UHFFFAOYSA-N 426.545 5.553 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4C(F)(F)F)cc3)c2O1 9659758 MQMRCUZJWYCECW-UHFFFAOYSA-N 441.449 6.250 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9782177 OTPSZIYOVILEAP-SFHVURJKSA-N 426.925 5.212 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1c2ccccc2C[C@@H]1C 9867432 RAKHIKHIRZWRKG-HOTGVXAUSA-N 443.576 5.220 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SC[C@@H](O)c2ccccc2)n1-c1ccccc1 10193091 JEWQKYLOMLWXMC-JOCHJYFZSA-N 431.561 5.289 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccccc3)Sc3ccccc32)cc1 11612172 WAXPWDWWMMSCAW-VWLOTQADSA-N 444.600 6.238 0 40 IKAB C[C@H]1S[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2ccccc2)C1=O 12416977 SLPJSAAXEJANRA-GYCJOSAFSA-N 434.948 5.208 0 40 IKAB Cc1cc(NC(=O)C23CC4CC(CC(C4)C2)C3)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12441986 FLWFRYCSCHCXEC-UHFFFAOYSA-N 436.556 5.598 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(C2CCCCC2)n1Cc1ccccc1 12494180 SOVZTTDZJMQBDP-UHFFFAOYSA-N 436.581 5.114 0 40 IKAB Cc1noc(C)c1CCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 12675586 VBIZZJPQGLHKPP-UHFFFAOYSA-N 435.524 5.720 0 40 IKAB Cn1c(C[C@H](NC(=O)c2ccccc2Br)c2ccccc2)nc2ccccc21 12732472 PVNPWVANNGPBEZ-FQEVSTJZSA-N 434.337 5.050 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)COc2ccccc2Cc2ccccc2)cc1OC 12773475 VQBKGUNUCRPAOD-QHCPKHFHSA-N 431.532 5.037 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4cc(=O)oc5cc(C)c(C)cc45)c(=O)c23)cc1 12807997 ACLHHMJPGZPQFL-UHFFFAOYSA-N 428.513 5.205 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2F)C(=O)C(C)(C)O3)cc1 12875779 BUGKLIGPNYUAEO-UHFFFAOYSA-N 446.522 5.906 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Br)c1C 13017965 DRQWJHMUJXCLHJ-LBPRGKRZSA-N 439.737 5.165 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc(F)cc1Cl 13113391 LYTLDHGBMKZZAU-NSHDSACASA-N 436.965 5.177 0 40 IKAB COc1ccc(CNC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 13502684 AMIGAFYZJZDELO-UHFFFAOYSA-N 428.557 5.243 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4c(C)cc(C)cc4C)ccc32)cc1 13583776 MGYSHXHGOSHKGT-UHFFFAOYSA-N 448.588 5.314 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1C 13632337 SKDKHWOCWMXYIT-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3cccc(F)c3)cc2)c(C)c1 13936294 WWYRQUDFVCZHKK-UHFFFAOYSA-N 443.569 5.361 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc12 14094084 RBBGTTLHGKNVDU-MRXNPFEDSA-N 438.622 5.692 0 40 IKAB C[C@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 14671880 KZMXARTWDDEFJL-WHEQGISXSA-N 446.494 5.271 0 40 IKAB C[C@H]1S[C@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O 15277097 IKBYXAGYPKOQAO-JLCFBVMHSA-N 430.356 6.953 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C3=O 16736163 UDEXSOQYGAQRLQ-HSZRJFAPSA-N 429.903 5.543 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 17096603 MPPBIGYFSOVTEP-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\C(=O)c2cc(C)oc2C)c1 17099225 KXYXDQYSSYRGLN-PNHLSOANSA-N 434.879 5.598 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 17099764 KVLTWKCDKVDKHU-UHFFFAOYSA-N 435.911 5.858 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3cccc(C)c3)n2)c(OC)c1 19641031 HEHVSFQSAKDRJZ-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4ccccc4F)cc3-c3ccccc3F)n2)cc1 19643367 XIEDYVZFWUVEPS-UHFFFAOYSA-N 445.494 6.617 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)/C=C/c3ccco3)c2)cc1 19646263 FBINHXNZPMRLSO-BUHFOSPRSA-N 447.560 5.356 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)c1 20611196 RQOXXHMYOLSUBC-UHFFFAOYSA-N 444.535 5.341 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4c(C)cc(C)cc4C)ccc32)cc1 20766228 BKNFPBPTLRTJTD-UHFFFAOYSA-N 448.588 5.314 0 40 IKAB C[C@@H](NC(=O)c1ccccc1SCC(=O)NC1CC1)c1ccc(-c2ccccc2)cc1 24831744 SOPNYRCAQKIBDP-GOSISDBHSA-N 430.573 5.215 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/c2nc3ccccc3s2)cc1OC 25388744 QNBSFXMQVLUIIO-FYWRMAATSA-N 439.540 6.337 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccccc4Cl)ncnc3[C@@H]2C2=C1CCC2 26464406 SHQASUGBCQYCKT-SIKLNZKXSA-N 442.053 7.063 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccs1 32907382 NINAUEOFXWOTEI-UHFFFAOYSA-N 447.585 5.630 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c1 34806274 RFFBAEKHSYCBMV-XKZIYDEJSA-N 435.932 6.468 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3ccc(-c4ccno4)cc3)cc(-c3ccc(C)cc3)nc21 36616928 FYUFEPHZGBHEDD-UHFFFAOYSA-N 437.503 5.642 0 40 IKAB Cc1nc(SCc2nc(-c3ccc(Cl)c(F)c3)no2)nc(O)c1Cc1ccccc1 44169043 KEJNXQCBNLNFRP-UHFFFAOYSA-N 442.903 5.216 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 46078899 OTYPCFLKOMURBF-UHFFFAOYSA-N 447.922 5.144 0 40 IKAB CC(C)c1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c2cnn(C(C)C)c2n1 48277602 JJQKHIZBBIQWRJ-UHFFFAOYSA-N 431.515 5.517 0 40 IKAB COc1cc([C@H](C)NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C 48325565 XBSZNCDHUNGKRY-HDICACEKSA-N 444.572 5.400 0 40 IKAB COc1cccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 57510833 DEECGUOJZLFRQM-UHFFFAOYSA-N 426.339 5.460 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N(C3CC3)[C@@H]3CCc4ccccc43)c2)cs1 58014422 ZRZSNTSOQQOCDM-FFODHNNBSA-N 430.573 5.722 0 40 IKAB COc1ccc(OC)c([C@@H](C)N(C(=O)Cc2c(Cl)cccc2Cl)c2cnn(C)c2)c1 58277758 OUMKAFLSSPAOSC-CQSZACIVSA-N 448.350 5.081 0 40 IKAB O=c1c2sccc2nc(SCc2cc(F)cc(F)c2)n1CCc1ccc(Cl)cc1 71327660 YMDQSZOOQPOPOJ-UHFFFAOYSA-N 448.947 5.925 0 40 IKAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CCc4ccccc4)C3)n2)c1 72349036 SYJKHUORCVYOQD-HSZRJFAPSA-N 427.548 5.046 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)cc1 101104920 SLBBMVAFOFXSKA-LSGCGUROSA-N 447.534 5.509 0 40 IKAB COCCN(Cc1ccc(-c2cc3nccc(Cl)c3s2)nc1)C(=O)OC(C)(C)C 113248379 RYRXEENRCNVKPA-UHFFFAOYSA-N 433.961 5.395 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223095142 NAJSKZYCRKJOLY-AREMUKBSSA-N 428.576 5.070 0 40 IKAB CCc1ccc(OCC(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c(Br)c1 223328255 YDMFUGIIFWOPRP-MRXNPFEDSA-N 448.401 5.708 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223548128 AAGSAOCHYYVFPY-JOCHJYFZSA-N 444.641 5.140 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1 224121534 CDIAALFJVLQYIZ-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB CCN(c1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 224365452 ZSQPJYZLTLKCEV-FQEVSTJZSA-N 436.577 5.010 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225095464 FORDRQSLMMONOE-HHHXNRCGSA-N 442.603 5.542 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1Cl 225303747 SJPBHSXEQVCBRA-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCCC1 225548208 GRQBCFNBKDLOEF-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB Cc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308452 JDKNXZYAMBQFMZ-UHFFFAOYSA-N 432.700 5.694 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H]2c1ccc(Cl)cc1 245241919 UCLWIBNAFORYLW-ZTISUFQXSA-N 440.971 5.670 0 40 IKAB Cc1ccccc1CN1CCC[C@@H](c2nc(C)c(CC(=O)Nc3ccccc3F)c(C)n2)C1 257323947 WMNVHPLBAPYRQN-JOCHJYFZSA-N 446.570 5.102 0 40 IKAB COc1ccccc1CNC(=S)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408574749 MOKWKUKSLMQRLF-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)cc1 408724989 NJYLNIFXDYVHMX-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CC(C)CCC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 408958417 YQCWTNLAEOHXBU-PIGZYNQJSA-N 441.277 5.036 0 40 IKAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1cccc(F)c1 409042583 YLJQUUPVOORXIX-STZFKDTASA-N 448.519 5.018 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 409164301 GGDDWATZTAEMRG-UHFFFAOYSA-N 438.597 5.372 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1C 409410581 XYUUWBCXITZEON-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cnn1C(C)C 537824841 FYJIPAOQONQODR-UHFFFAOYSA-N 430.430 5.296 0 40 IKAB Cc1ccc(CSc2nc3nccc(-c4cc5c(cc4C)NC(C)(C)C[C@@H]5C)n3n2)cc1 618257325 VTEBPYXRWSJXPZ-SFHVURJKSA-N 443.620 6.398 0 40 IKAB C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1c(Cl)cccc1C(=O)O 2037854251 CYMJBQZSGUKXRL-MRXNPFEDSA-N 441.886 5.346 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2ccccc2Br)c1 855735 QKVFCPKKXNBSFR-UHFFFAOYSA-N 445.316 6.107 0 40 IKAB CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(OC)cc3)nsc12 902733 UXKQGQOTCVFJIK-UHFFFAOYSA-N 436.562 5.055 0 40 IKAB Cc1ccc([C@H](CCNC(=O)C[C@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 1832701 FWXYDKSGTWJPJW-SVBPBHIXSA-N 447.619 6.843 0 40 IKAB biogenic Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 2078820 PQCNVVOUABVRJD-UHFFFAOYSA-N 430.507 7.255 0 40 IKAB COC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CC[C@@H](C)C2 2085637 AOFNCDIOWSNZCK-LLVKDONJSA-N 444.940 5.529 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3n2)cc1 2195135 LJMVVMBRMFFJHA-UHFFFAOYSA-N 442.906 6.149 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O 2198997 BWFKPPYLXQONTJ-QFIPXVFZSA-N 445.902 5.514 0 40 IKAB CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 2282292 XINMJJPCAKTHEV-HNNXBMFYSA-N 438.622 5.027 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 2340874 UKLLGBVAAYQXMK-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C1C[C@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cccc(Br)c1 2411347 SEDYDUQZNGLFRU-GCKKQHTFSA-N 444.328 5.380 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2418173 WCWGAKQISRQMAT-IBGZPJMESA-N 436.920 5.776 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1Cc1ccco1)Nc1ccc(Cl)cc1 2446503 PPFAIIBDTAVMNB-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB Cc1sc2nc(SCC(=O)Nc3ccccc3Cl)n(C3CCCC3)c(=O)c2c1C 2630551 LBYQMLONNXIXRB-UHFFFAOYSA-N 448.013 5.574 0 40 IKAB CCOc1cccc(-c2cc(C(=O)Nc3sc(C)cc3C(=O)OC)c3ccccc3n2)c1 2753538 MPCOXUXSAPRUHZ-UHFFFAOYSA-N 446.528 5.709 0 40 IKAB COc1ccc2nc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)sc2c1 3194104 JRKOZXRUXUPCCP-UHFFFAOYSA-N 429.476 5.912 0 40 IKAB FC(F)Oc1ccccc1/C=C1\CCC(C(=S)Nc2ccccc2)=C1N1CCCCC1 3241468 PXYBZCJLSZMLMX-HTXNQAPBSA-N 440.559 6.645 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)Nc1ccccc1 3307733 NAFUKEHVXHBYKU-UHFFFAOYSA-N 425.517 5.146 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)c4c[nH]c5ccccc45)c23)C1 3329922 LHVTXOSEZWWMDZ-LAUBAEHRSA-N 438.600 6.541 0 40 IKAB O=C(OCc1ccccc1)[C@@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 3618182 MTPDBPKFWDCGJO-IBGZPJMESA-N 443.366 5.285 0 40 IKAB biogenic,in-vitro Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655497 AAOYVHBEOXSFGX-QGZVFWFLSA-N 447.918 6.340 0 40 IKAB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C(C)C)cc1 3864157 VPRBQAWIHMFLST-MSOLQXFVSA-N 441.549 5.239 0 40 IKAB O=c1c2ccccc2nc(SCc2nnc(-c3ccccc3)o2)n1-c1ccc(F)cc1F 4195278 HTLOASBYCXEVBP-UHFFFAOYSA-N 448.454 5.006 0 40 IKAB CCOC(=O)c1cnc2ccc(Oc3ccccc3)cc2c1Nc1cccc(C(=O)O)c1 6144208 BUBNATXANCCKAG-UHFFFAOYSA-N 428.444 5.646 0 40 IKAB CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cc(Cl)ccc3C)c2c1 8383380 IUMOHEDFPGJGNM-UHFFFAOYSA-N 430.935 6.687 0 40 IKAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc34)n2)cc1 8441042 DNKARBKVRAKFPY-UHFFFAOYSA-N 435.523 6.672 0 40 IKAB Cc1cc(OC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccc(C(C)(C)C)cc1 8453370 YHHPJMNSOYZHEH-UHFFFAOYSA-N 443.587 7.062 0 40 IKAB C[C@@H](CCCC(C)(C)Cl)CCOC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1 8781091 DFCNYSMNQAINME-AWEZNQCLSA-N 436.807 6.469 0 40 IKAB CC(C)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 8817109 QQSCPTWWKANGPZ-UKILVPOCSA-N 437.370 7.359 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cc(F)ccc1F 8894368 ZXRGDZJJTHSCOD-UHFFFAOYSA-N 433.911 5.967 0 40 IKAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1cc(-c3cccs3)nc3ccccc13)CC2 9128936 IQHUQVUSEBQVBF-MRXNPFEDSA-N 444.556 5.740 0 40 IKAB COc1ccc2[nH]cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc(Cl)cc3)c2c1 9200535 LENMIPDYPNLGLG-AWNIVKPZSA-N 427.891 5.699 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2cccnc2)c2nc3cc4c(cc3s2)OCO4)cc1 9242292 ITIJSJKWCNVEKS-UHFFFAOYSA-N 445.544 5.565 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)c1 9250143 BKUIDWZRNDREPP-IBGZPJMESA-N 433.577 5.229 0 40 IKAB Cc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(N4CCOCC4)cc3)o2)cc1 9379194 KXQQZMLAKNHWGZ-UHFFFAOYSA-N 439.515 5.406 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Br)c3ccccc3)c(=O)[nH]c2c1 9424884 BVOADCKMKHZPHK-UHFFFAOYSA-N 447.332 5.446 0 40 IKAB Cc1ccc(OCC(=O)Oc2cc(-c3ccc(Cl)cc3)c3oc(=O)sc3c2)cc1 9430734 YYJPIFFWUIZTRR-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)C(=O)N1CCCC1 9509454 FIFKJISUFRTIOQ-LJQANCHMSA-N 448.636 5.630 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(F)c1 9593608 WVDIFKPSIMQOPF-UHFFFAOYSA-N 442.516 5.116 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9619758 WQMHAEIPTQQNMC-INIZCTEOSA-N 437.565 5.359 0 40 IKAB COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(C)c(C)c4)c3c2c1 9676043 ZKAHDWXODBSXGR-UHFFFAOYSA-N 439.515 5.883 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c(C)c1 9721270 YQQKNADOCLBCGS-AREMUKBSSA-N 433.935 5.273 0 40 IKAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCc1ccccc1)[C@H]3c1ccc(C(C)C)cc1 9764299 JFOITHKFGZYPRV-SANMLTNESA-N 437.539 6.013 0 40 IKAB Cc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 9972150 URZMLKUPLUEUFL-UHFFFAOYSA-N 428.488 6.033 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc12 10187741 MZRJZPBEJMQDNY-UHFFFAOYSA-N 435.574 5.334 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SC[C@H](O)c2ccccc2)n1-c1ccccc1 10193090 JEWQKYLOMLWXMC-QFIPXVFZSA-N 431.561 5.289 0 40 IKAB Cc1sc2nc(CN3CCCCC3)nc(N[C@H](c3ccccc3)c3nccn3C)c2c1C 12628227 CDDVTHZYIOSZOS-JOCHJYFZSA-N 446.624 5.229 0 40 IKAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc2ccccc2c1 13109845 LIKCXGPKMLQHMZ-KRWDZBQOSA-N 428.561 5.267 0 40 IKAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 13148892 XWSAAHDADVTYLG-UHFFFAOYSA-N 426.545 5.823 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)oc2c1 13946085 XNLYDRTWXWWWSN-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14022914 OCGLDTBMLCEDND-SANMLTNESA-N 428.576 5.086 0 40 IKAB CCCCOc1ccc(/C=C2\CCn3c2nc2scc(-c4ccccc4)c2c3=O)cc1 16043921 OTEQXOOVMXQBMF-CAPFRKAQSA-N 428.557 6.248 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 17095280 TVKJJLXXYQAACH-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)c1 17206191 NHSQPMMNIRNMNT-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB O=C([C@H]1CC=CCC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294146 YZMNALVWKRSWEU-VQTJNVASSA-N 443.526 5.094 0 40 IKAB Cc1noc(C)c1COc1ccc(CN2CCc3onc(Nc4cccc(F)c4)c3C2)cc1 19580918 ZOCUYSLRULZIDU-UHFFFAOYSA-N 448.498 5.299 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)cc(C)c4)cc3n2)cc1 19636740 SFYADBRXXRKXDB-UHFFFAOYSA-N 442.563 5.706 0 40 IKAB c1ccc(CSC2=NC3=C([C@H](N4CCCCC4)N2)C2(CCCC2)Cc2ccccc23)cc1 26895776 GBBKSFZBENVGGF-SANMLTNESA-N 443.660 6.219 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2ccc(C(C)C)cc2)c2c[nH]c3ccccc23)cc1 27746171 DGKOPJBPEIXTBA-RUZDIDTESA-N 442.559 5.627 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](CC(C)C)c1ccccc1 30856809 SHQXMBXXVWOSNO-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB Cc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 32114727 YBPFQBZCWFESJQ-UHFFFAOYSA-N 426.516 6.543 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)c(Cl)c1 32126545 VCYMWLAQBWPDEI-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=C/CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 36454498 ZIGPUMCZEUYNPF-PPHJTXHLSA-N 426.685 7.880 0 40 IKAB Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c2ccccc2)cc1Cl 40005492 YIMIVYFDINGWSJ-OYHNWAKOSA-N 435.911 5.160 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)/C=C/c1ccc(C(C)C)cc1 57313887 FSLSNFJDLRDKCC-UKTHLTGXSA-N 447.560 5.490 0 40 IKAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)c2n1 57315952 UNUFRVCJSXLDKR-UHFFFAOYSA-N 427.529 5.249 0 40 IKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1ccc(Br)cc1 59109440 HQYBPPWOUBXUJF-UHFFFAOYSA-N 439.231 5.096 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)c1 59179521 YYPASDHJVRAPJQ-UHFFFAOYSA-N 445.972 5.773 0 40 IKAB Clc1ccc(Nc2nc3nonc3nc2Nc2ccc(Cl)cc2Cl)c(Cl)c1 59596631 SQXLIHUZNBSFEC-UHFFFAOYSA-N 442.093 6.114 0 40 IKAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1cnc(-c2ccccc2F)s1 84505943 RDWJAYUMIIOSGZ-UHFFFAOYSA-N 439.899 5.065 0 40 IKAB O=C(NCc1ccc(F)c(F)c1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038134 WEOKRULXZJLTDI-UHFFFAOYSA-N 446.432 5.139 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Br)c(F)c1)c1cccc(C(=O)c2ccccc2)c1 98073081 OQJOBVMVAKQQKT-CQSZACIVSA-N 426.285 5.561 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106701795 AFQIIADWVAZASL-WQRHYEAKSA-N 432.339 5.393 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)cc1 113561581 OQBMEFXHPBRYEH-OAQYLSRUSA-N 431.517 5.063 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Cl)cc1Br)CC(C)(C)O2 218857982 CTHWNLQDXYUZDM-MRXNPFEDSA-N 438.749 5.208 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1F 222387583 IOARFRLWUZZPCW-UHFFFAOYSA-N 448.519 5.197 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 222996781 OBQJMMHXVFCEPS-SFHVURJKSA-N 433.017 5.074 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 223088817 IZGRXIVCFNYWJT-PKTZIBPZSA-N 437.012 5.831 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223268904 ZBHLDPBAJVOUSD-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccccc1NS(=O)(=O)c1ccccc1 223932601 RTVLIAWLKVVJNE-UHFFFAOYSA-N 442.496 5.639 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224289513 MAHGKKVSBMLYCW-OALUTQOASA-N 444.423 5.700 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc2ccccc12 224301738 QKNPWOYJCRBLNO-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccc(Cl)cc1 224501085 YGIBFRJTXGVRCI-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 224616515 CQXLKBBTGJOMKR-XZOQPEGZSA-N 447.947 5.878 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224659757 RMAHATOFQOBBMT-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225073330 AMTWMAIGGVERTD-NRFANRHFSA-N 433.017 5.156 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225280667 ZKLKKYNBDIBTCV-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 225350040 UAAVTMYENGSOEV-UHFFFAOYSA-N 441.358 5.537 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)NCc1ccc(OCc2ccc(F)cc2)cc1 225376580 QDPMFIFEYPSWQY-UHFFFAOYSA-N 432.322 5.961 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2Cl)cc1 225637532 SPGXGVZCIAWHTL-NDENLUEZSA-N 445.371 5.451 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc(Cl)c1Cl 225831709 RRVCHHMUAVNDDL-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccccn5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242688061 VEFILIWPFIZDGV-PMNUCJJMSA-N 439.684 6.175 0 40 IKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2ccc(Br)cc2)C1 257231487 GGXSXZYVESCAKA-RZUBCFFCSA-N 434.349 5.712 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(Sc3oc(C=O)cc3Br)n2)cc1 408558543 UVOSEKDCBOZLCS-UHFFFAOYSA-N 443.244 5.790 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 408576048 PKRUFPHSMRJHNF-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB Cc1ccc(NC(=O)COC(=O)CCCC(=O)Nc2cccc3ccccc23)cc1Cl 408648307 XGQSFPGCTFTZCD-UHFFFAOYSA-N 438.911 5.092 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1C 408670866 YLMWEOQASFFINC-FPMFRTRJSA-N 448.349 5.401 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cccc(Cl)c2C)n1 408697035 DXETWUFCDLEHTP-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br 408901198 BYXVYOKHSUEUCV-RNEAKCBISA-N 432.339 5.867 0 40 IKAB O=C(CSCc1cccc(Br)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 409183622 DYVCCDBGMRQUPE-UHFFFAOYSA-N 438.696 5.993 0 40 IKAB Cc1cccc(N(CC(=O)Nc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 409380302 BMROPUCPSBLBAZ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(OC)cc1Cl 728437 VXHGWIXQSBNGFU-UHFFFAOYSA-N 441.698 5.880 0 40 IKAB Cc1sc2ncn3c(SCC(=O)N(c4ccccc4)c4ccccc4)nnc3c2c1C 870475 XDIHYRMJRPSTNZ-UHFFFAOYSA-N 445.573 5.413 0 40 IKAB COc1cccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 884343 FUKUFBFQXBGCME-MOPGFXCFSA-N 430.430 5.113 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 902956 PHOCGKANPXZKCA-UHFFFAOYSA-N 440.956 5.201 0 40 IKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1NCCc1ccc(OC)c(OC)c1 955767 OJOSZGPQDVAFJG-UHFFFAOYSA-N 448.441 5.102 0 40 IKAB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1ccccc1Cl 976627 NTMNTQYSUGHGCJ-UHFFFAOYSA-N 436.924 5.024 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c12 1346755 NFUGCEOBEFLTJL-UHFFFAOYSA-N 444.600 6.038 0 40 IKAB O=C(CSc1nc(C2CCCCC2)nc2ccccc12)Nc1nc2c(s1)CCCC2 1376441 XTBKNYDXIFRKEB-UHFFFAOYSA-N 438.622 5.744 0 40 IKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccccc4)n12)CCCC3 1376457 HVSHCJBPGCWALO-UHFFFAOYSA-N 437.594 5.072 0 40 IKAB Cc1ccc(-c2cc(NC=O)n(-c3nc(-c4ccc(Br)cc4)cs3)n2)cc1 1405069 DITRXCHDIIXPOG-UHFFFAOYSA-N 439.338 5.302 0 40 IKAB CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)cc1 1915326 DGZZWIHXHBJZDO-LFIBNONCSA-N 449.934 5.677 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 2074093 XYXUSZFIHBMNRO-UHFFFAOYSA-N 445.563 6.292 0 40 IKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 2092791 BIGWNCPFDLWEOZ-UHFFFAOYSA-N 432.614 5.969 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(OC)cc1 2137950 PFSBXCNQABDDNW-RUZDIDTESA-N 440.503 5.079 0 40 IKAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccccc2OCc2ccccc2F)C1(C)C 2138550 QDWIHOXVIOEMPL-UIOOFZCWSA-N 433.523 6.510 0 40 IKAB COc1ccc(CCn2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1OC 2255155 CAHLMANIXNQUFU-UHFFFAOYSA-N 444.922 5.560 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1c(-c2ccccc2)nn(-c2ccccc2)c1C 2744090 JNZFOJOOBYGREC-UHFFFAOYSA-N 439.559 6.406 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nnc(-c5ccccc5)o4)cc3n2)cc1 2785613 KEPPNEBNQBENKB-UHFFFAOYSA-N 437.381 5.141 0 40 IKAB O=S1(=O)CC[C@@H]([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)C1 3197240 OBFSIBQTTJEMEJ-RUZDIDTESA-N 426.561 5.335 0 40 IKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)c1ccc2c(c1)-c1ccccc1C2 3332156 ACZYRUPBXPPCRP-UHFFFAOYSA-N 431.702 6.258 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Sc1nncs1)c1ccccc1 3332872 KHBXJUSOZWVDSY-AWEZNQCLSA-N 429.876 5.682 0 40 IKAB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(C(F)(F)F)cc(C(F)(F)F)c12 3356281 ARTWEBIKRMDPRU-UHFFFAOYSA-N 448.581 6.727 0 40 IKAB COc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(OC)c2)cc1 3364132 LWHJBHVKBLOEGZ-JXMROGBWSA-N 429.545 5.757 0 40 IKAB CCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655432 WWNZIRXWTPRXNR-UHFFFAOYSA-N 433.891 6.358 0 40 IKAB O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 6017293 BABSUFBKNMIDHL-NDEPHWFRSA-N 446.575 7.460 0 40 IKAB O[C@@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(Br)cc1 6580680 OPABGNABBQROBW-VUNKPPBISA-N 428.414 5.392 0 40 IKAB Cc1ccc2c(c1)-c1ncc(-c3c(C(=O)c4ccccc4)oc4ccc(F)cc34)cc1CO2 8448919 YYXAVCKXARQLMV-UHFFFAOYSA-N 435.454 6.733 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 8983371 QOAJPNZCVSGUDC-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB Cc1ccc(SCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1 9041068 VNTXTFJDFDVVRJ-UHFFFAOYSA-N 448.613 6.010 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)CSc1ncn(C)n1)C(C)(C)c1ssc(=S)c1-2 9059423 IBRPBQTVRYEMGI-UHFFFAOYSA-N 448.664 5.325 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 9244667 HNHNFSNRKROJHN-UHFFFAOYSA-N 431.473 5.010 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)cc3C)c3ccccn23)cc1 9316576 DSNZOUVBWBPQEK-UHFFFAOYSA-N 427.504 5.020 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(C)c(C)n1C1CCCC1)c1ccccc1 9467428 WOTGAUGTEPNMOX-DEOSSOPVSA-N 449.620 6.404 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C(=O)NC2CC2)c2ccccc2)n1Cc1ccccc1 9647152 VOCODXFVFRYVKL-QFIPXVFZSA-N 444.560 5.007 0 40 IKAB O=C(CN1CCC[C@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 9713157 KDLFYQBGMUJOCB-QFIPXVFZSA-N 430.504 5.026 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1 9730628 PZUIEUIZUMYDAH-GDLZYMKVSA-N 441.571 5.424 0 40 IKAB CC(C)N(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 9882380 ZNEKCORBTRCRTJ-XMMPIXPASA-N 443.572 5.194 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 10216710 TVDLBIBTCBGJDC-NRFANRHFSA-N 447.608 5.535 0 40 IKAB CCOc1ccc2nc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)sc2c1 10381586 IQUABPHPUUMVPY-VQHVLOKHSA-N 438.578 5.090 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 12111579 NLUAEVJTIMXVNM-MBSDFSHPSA-N 429.988 5.613 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1 12635205 TTXCBOCQWPENCS-UHFFFAOYSA-N 429.519 7.234 0 40 IKAB Cc1noc(C)c1CCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 13038252 MZKASQGLBZFYNM-UHFFFAOYSA-N 431.414 5.134 0 40 IKAB Cn1c(-c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)nc2ccccc21 13097504 JYGATHZINBKDBR-UHFFFAOYSA-N 429.321 5.856 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 13141668 RTOIBVGNCGJDMS-INIZCTEOSA-N 443.931 5.094 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@]1(c2ccc(C(C)C)cc2)CC(=O)N1c1ccc(Cl)cc1 13591619 GVCVFSNRKVKXEQ-MHZLTWQESA-N 446.978 6.351 0 40 IKAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 13616252 SFHSUKCSJKITHU-XLVZBRSZSA-N 427.544 7.055 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 14270941 BSCBDJARWJGUEG-UHFFFAOYSA-N 443.576 5.288 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c1 14609626 DJYWUFBUFLMDFV-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2OCc2cccc(C)c2)cc1 15354999 AEJIZIHMDKKSJA-UHFFFAOYSA-N 445.515 5.352 0 40 IKAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C(=O)O2)cc1 16321181 YAOUNZBNLIDIEQ-YBFXNURJSA-N 441.270 5.556 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNCCc2c[nH]c3ccccc23)cc1 16525338 BZRYEWMVNFAOFM-UHFFFAOYSA-N 425.359 6.386 0 40 IKAB CCCCCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 16638163 UGZFETOUGDJDED-UHFFFAOYSA-N 440.809 6.360 0 40 IKAB O=C(Cn1nc(CNc2cccc(Cl)c2)n(-c2ccccc2)c1=S)c1ccccc1 16769524 JQJTZHBGSYDTMR-UHFFFAOYSA-N 434.952 5.552 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 17096644 HWMZNLMWFXUUPR-IBGZPJMESA-N 429.589 5.859 0 40 IKAB CC1(C)CC(=O)c2cnc(Nc3nc(-c4ccccc4)c4cc(Cl)ccc4n3)nc2C1 18207276 DGLIUQPPEYQSSB-UHFFFAOYSA-N 429.911 5.639 0 40 IKAB Cc1cc(C[C@@H]2CCC[C@H]2N(Cc2ccncc2)Cc2ccc(Cl)c(Cl)c2)on1 19120473 ABAMZDGAFDKDBE-WMZHIEFXSA-N 430.379 6.098 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)cc2)n1 19525546 HXDYSZPHOCBCRI-DEOSSOPVSA-N 444.579 5.186 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 19825465 KXUYBRXNTNOYTP-UHFFFAOYSA-N 449.967 5.081 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1OC 20412342 AZMSTJVDZXAAFN-UHFFFAOYSA-N 446.547 6.057 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1 20453901 OHHOJDOFNFUUPR-HNNXBMFYSA-N 431.726 5.454 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20460889 PNAHSMZEGGBKSJ-GAJHUEQPSA-N 436.939 5.627 0 40 IKAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1SC[C@@H]1CCCO1 21637269 NHTLIIYVTKQJMS-KRWDZBQOSA-N 445.009 5.911 0 40 IKAB CN1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 22905023 SYVMIBRSYMZSNT-UHFFFAOYSA-N 445.569 6.011 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Nc1cccc(CO)c1)c1ccccc1 25427104 LHDKXCPWHQWNKG-HXUWFJFHSA-N 434.845 5.643 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 26124004 XOPRKBHGRBOGTO-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB COc1ccc(/C=C2\SC(=S)N=C2O)cc1OCc1ccc(Br)cc1 26464949 HQDRUITXZGLSDI-SXGWCWSVSA-N 436.352 5.366 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc([C@@H]3COc4ccccc4O3)cs2)cc1OC 27240924 IRUYHGJHARFZDW-NRFANRHFSA-N 440.521 5.095 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 27689239 BTFHONXGPVFKJV-GFCCVEGCSA-N 433.291 5.187 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)no2)cc1 27794943 VTANJNQJHPOZFN-UHFFFAOYSA-N 425.513 6.487 0 40 IKAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4ccc(Cl)cc4)o3)C2=O)o1 35108403 NRYPZHLXOUSMLZ-VCHYOVAHSA-N 443.864 5.216 0 40 IKAB O=C(Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1 35269546 CLEXBMPUFGYIJV-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB CCc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639811 CHYLWYRRGQPYQK-UHFFFAOYSA-N 443.894 5.544 0 40 IKAB O=C(COC(=O)Cc1ccccc1Nc1c(Cl)cccc1Cl)OCc1ccccc1 38600102 RLKZSYGBKCIRFJ-UHFFFAOYSA-N 444.314 5.566 0 40 IKAB in-vitro CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39745128 ZSYIBNUEUBFXAB-UHFFFAOYSA-N 428.960 5.148 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCc4ccccc43)cc2)CC1 44900102 NRHSNUUBOHDALP-UHFFFAOYSA-N 445.994 5.174 0 40 IKAB c1coc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 58391755 WGNBFXLKRVXXEV-KRWDZBQOSA-N 435.530 5.592 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN([C@H]2CCCc3ccccc32)C4)cc1 61997670 TWDFNNAPLBAZMC-VWLOTQADSA-N 439.511 5.698 0 40 IKAB biogenic O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1Cl 67292966 QSEOKLVVWORWFY-UZGAPFOWSA-N 435.282 5.020 0 40 IKAB CCOc1ccc2cc([C@@H]3CC(c4cccc(F)c4)=NN3C(=O)CC)c(Cl)nc2c1 95116682 JYCFNSWMMXEBRQ-NRFANRHFSA-N 425.891 5.514 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C3C[C@H](C)CC(O)=C3[C@H]2c2ccco2)cc1 102678940 IUSQNTVMGODUCY-IVCQMTBJSA-N 428.488 6.004 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 118912665 JVRUDYNTKOCRNP-HAUQEPAVSA-N 436.592 6.107 0 40 IKAB CCOc1ccc(Br)cc1[C@@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222669132 VVKUIRPLTNWJSY-NIKGAXFTSA-N 432.387 5.222 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1ccccc1Cl 222716612 TZFMMWAILPPQLI-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 222719913 KJZUNXWGCBOWGE-BTZRARBUSA-N 446.620 5.786 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223315453 NMBQTJLGIFJFDO-HXUWFJFHSA-N 433.017 5.154 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223838393 TXPZWHJDHDZSKB-JWQCQUIFSA-N 446.620 5.964 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 223842190 DZLUAPZKRGPFHH-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(OC)cc3)c2)cc1 224042068 ZZYDOCXUSMJENA-UHFFFAOYSA-N 438.549 5.091 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 224211977 KYYQASDTUYSVTN-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224235834 XGILEFRMLPORPR-XMMPIXPASA-N 441.015 5.447 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2OC)c1 224253402 ZHOSDIWBUSXCJU-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1C 224262401 FKCFJCANINWFKQ-DQEYMECFSA-N 439.588 5.120 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1C 224279657 ACBNUOVCCCMYOC-JWQCQUIFSA-N 439.588 5.120 0 40 IKAB CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 224355899 GVMGDFRSXVBJIO-UHFFFAOYSA-N 449.359 5.461 0 40 IKAB CCCc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 224381841 UYGXDKMMCPIVKF-UHFFFAOYSA-N 435.589 5.619 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C 224422378 VSAKIDKPOCWRLQ-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 224595246 FVXYROBVPRNNSE-HSZRJFAPSA-N 426.626 5.057 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1cccc2ccccc12 224628594 VRTJGYUAWKQSLK-UHFFFAOYSA-N 425.528 6.056 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 224641309 VDNZDXJGCZNMES-IBGZPJMESA-N 436.983 5.368 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1-c1ncc(-c2ccccc2)o1 224895796 ONRZSAQKEULXLL-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225015762 YBTYUWALIXKNSV-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225201188 MWJFNSDVLOPPMB-UXHICEINSA-N 443.031 5.728 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1C 225366070 BIGVIGLVESRNFJ-BJKOFHAPSA-N 432.593 5.227 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225529211 VHCLFRSBEFLNLH-OFNKIYASSA-N 426.626 5.199 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1snnc1-c1ccc(Br)cc1 225783891 DKUHOGODLQAQTE-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 245240742 SFKSZNDXMPANHH-XPUOQHRESA-N 444.700 7.030 0 40 IKAB Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2c1 257225289 FFQGWODRRVGQFS-IYARVYRRSA-N 448.592 5.529 0 40 IKAB Cc1cccc2c(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c(-c3ccccc3)[nH]c12 408635315 ZEJSFKBAOGQNNF-STZFKDTASA-N 426.497 6.502 0 40 IKAB C[C@@H](NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccccc1 408673053 YFVFFTKBLJPYJX-QGZVFWFLSA-N 444.918 5.589 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2cccc3ccccc23)c1 408725022 NPBHRBZFUVPBCN-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CC1CCN(C(=S)Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 408735663 UVRDQDJCEBATTO-UHFFFAOYSA-N 439.584 6.359 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 408814192 OFVRPLCDRNAQAU-UHFFFAOYSA-N 434.299 6.155 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)cc1 409067243 PTGPFPDQPAZING-HMAPJEAMSA-N 434.948 5.893 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 409109403 DDIRGWRNOBPMPO-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)c2ccccc21 409353466 LMBRTNZBEILJEG-BKUYFWCQSA-N 433.533 5.035 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3C)C2=O)c2ccccc21 409356081 DXIXUCJRONSDRU-BKUYFWCQSA-N 433.533 5.035 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409378428 PBOCJADYCSVCPZ-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)c(C)c1 409380330 CYTZHKIKSSQQHG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccccc1-c1cc(C)nc([C@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)c1 2037834563 QJZWBNKNCLMANO-AREMUKBSSA-N 448.538 5.128 0 40 IKAB COc1cccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(C)cc23)c1 993087 MUYTXNLXORIJQQ-UHFFFAOYSA-N 425.484 5.567 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4oc5ccccc5c4C)c3)oc2c1 1413845 MLUGMEQNLAHTSE-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB CC(C)(C)CC(C)(C)c1ccc(OCC(=O)Nc2nnc(C3CCCCC3)s2)cc1 1916395 PEOSBKHBGMASMI-UHFFFAOYSA-N 429.630 6.317 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3cccc(C)c3)c3ccccc23)cc1 2327568 JGWGZGYQYNDRBC-UHFFFAOYSA-N 440.547 5.596 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1ccc(Cl)c(Cl)c1 2390009 FOBLQZJSHUHKBQ-UHFFFAOYSA-N 449.319 5.217 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 2450215 UDAVQNQNNVZDPH-UHFFFAOYSA-N 436.625 5.864 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccncc1 2623036 BNYRAZZBUVFYBU-LJQANCHMSA-N 447.608 5.125 0 40 IKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2cccnc2)c1 2722396 DMXUOSHNDPWHQU-UHFFFAOYSA-N 428.605 5.930 0 40 IKAB Cc1ccccc1NCC(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2887742 AJPMUJMZWXJZJP-UHFFFAOYSA-N 439.890 5.765 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccc(Cl)cc1C(F)(F)F 3315322 GFQQZGDFXVEFHD-UHFFFAOYSA-N 438.833 5.345 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c(C)n1Cc1ccco1 3385477 DIYXPCRMLCJWAX-UHFFFAOYSA-N 432.549 5.179 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)C3CCN(C(=O)c4ccccc4C)CC3)n2)c1 3452031 NGEMTHYSZHHCAY-UHFFFAOYSA-N 433.577 5.226 0 40 IKAB Cc1nn(-c2cccc(Br)c2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8643279 AJZOTPYGMVHUHC-NVXWUHKLSA-N 442.382 5.155 0 40 IKAB biogenic,in-vitro COc1ccc(-c2csc(NC(=O)c3cc4ccccc4o3)n2)cc1Br 8756326 ZEJGGOWVTGVUSE-UHFFFAOYSA-N 429.295 5.580 0 40 IKAB Cc1ccccc1NC(=O)N(O)[C@H]1N(c2ccccc2C)C(=O)N(C2CCCC2)C1(C)C 8926383 PPZWYRINGLEDBS-JOCHJYFZSA-N 436.556 5.516 0 40 IKAB Cc1nc(Nc2nc3ccccc3s2)ncc1C(=O)Nc1cccc(C(F)(F)F)c1 9111338 BNXDVAQSICVNNW-UHFFFAOYSA-N 429.427 5.409 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Br 9158905 FVAQXQHMGOSKMN-UWJYYQICSA-N 441.350 5.762 0 40 IKAB CCC(=O)Nc1nnc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)s1 9194209 GKTVXPHUWUBKSF-UHFFFAOYSA-N 442.953 5.200 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(OC)cc2)cc1 9309319 CIABJIWBWWXDBC-UHFFFAOYSA-N 445.544 5.235 0 40 IKAB COc1ccc(CCN2C(=O)c3ccccc3[C@H]2c2c(C)n(C)c3ccccc23)cc1OC 9355468 QPKSJAVQYFSDQJ-MHZLTWQESA-N 440.543 5.292 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1OCC 9409237 YPLCIHOKNSKPJK-RUZDIDTESA-N 449.551 5.315 0 40 IKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 9459459 KKLHEYRTIBRJLH-RNWIMVQKSA-N 428.900 6.157 0 40 IKAB Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 9499140 RZQOHGRTCXIKMV-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1C 9591732 MHKPEGBBXSQFQF-QGZVFWFLSA-N 431.463 5.826 0 40 IKAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 9882316 JFPTXRWGFRDMCF-VWLOTQADSA-N 430.548 5.070 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1)S(C)(=O)=O 10008574 KPBDSJMARXBCAD-UHFFFAOYSA-N 440.590 5.017 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 10187988 KKANKGYRMDKIRS-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2cc(O)nc3ccccc23)c2ccccc2)c1 11458273 AOOCFWIGBVONCP-DEOSSOPVSA-N 426.472 5.094 0 40 IKAB CNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCCC2 12064213 HQEQKNYZYOVJNI-UHFFFAOYSA-N 441.556 5.454 0 40 IKAB O=C(c1sc2ccccc2c1Cl)N1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 12360138 YKQQOUJAJTZHMX-UHFFFAOYSA-N 443.012 5.056 0 40 IKAB CC(C)CNC(=O)CN(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl 12566676 KHPWVGBRSLTPLX-UHFFFAOYSA-N 441.906 5.879 0 40 IKAB O=C(c1ccccc1)[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 12567609 XSLDSTVSFZOKQW-DEOSSOPVSA-N 425.557 5.920 0 40 IKAB COc1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)cs2)c2ccccc2)c1 12638367 DCKKQKKPEDUZNV-QFIPXVFZSA-N 432.570 6.291 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 12644252 WLPFLTUEPSPVLL-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C 12651164 KTHRSJPABSFVNJ-UHFFFAOYSA-N 426.451 5.282 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3cc(Cl)cc(Cl)c3)c3ccccc3C2=O)cc1C 12651806 MNVWAOSPRHJJBP-XKZIYDEJSA-N 437.326 6.250 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 12875664 JZACURQQNGPEQX-JTQLQIEISA-N 442.299 5.386 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(OCC)cc3)o2)cc1OC 13525105 YYWXYCVCUMITGL-UHFFFAOYSA-N 439.512 5.355 0 40 IKAB COc1cc(OC)cc(-c2cc3nc(-c4ccccc4)cc(N4CCC(C)CC4)n3n2)c1 13562765 VREQJWACDPEWKB-UHFFFAOYSA-N 428.536 5.317 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@@H]2CCCO2)cc1Br 13801037 QWAVRWDTCAHYDT-JHGXHUTESA-N 445.382 5.399 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 14153348 PWAISFMRHZPFHO-QGOAFFKASA-N 442.540 5.601 0 40 IKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cn4ccccc4=O)o3)n2)cc1 14250967 KGLWVQCBEOQGTD-MRXNPFEDSA-N 433.533 5.379 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 14269108 LGMDLMKUUCMNDU-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 14272594 SRMGIOXIYCNWLA-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)c1 15729513 ZTGWPYPTEODJEY-NTEUORMPSA-N 441.483 5.641 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3ccc(C)cc3n2)c(Cl)c1 15865447 WBDVEIGMANZVMM-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COc1cc(/C=C2\SC(=S)N=C2O)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 16196065 UPWXOTFLEQXKPM-LSCVHKIXSA-N 429.563 5.146 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 16740827 PXDOMWMSMCFAEF-DKRYJKOMSA-N 444.562 6.254 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 17095730 MMYJIKZJZMQDKQ-UHFFFAOYSA-N 428.344 6.268 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C)cc4)nc3cc2C)cc1 17095991 XKZXYSPHQTYLRF-GOSISDBHSA-N 428.536 5.568 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17100922 OKZQRLKNCXNVLU-WYMLVPIESA-N 436.939 6.689 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 17101980 IMVHBXISMWLUBZ-RUDMXATFSA-N 438.361 5.138 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)Nc4cc(C)on4)sc3n2)cc1 18195957 FXAYSZLRVMWFJQ-UHFFFAOYSA-N 448.426 5.122 0 40 IKAB C=Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 19637821 ZAKKXSVCSVGHAB-UHFFFAOYSA-N 443.388 7.288 0 40 IKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1sc2cc(Cl)ccc2c1Cl 19645689 KFGYLEHDEJGTDD-UHFFFAOYSA-N 447.368 6.194 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 19908592 ZLAHWROHXQEFNB-UHSQPCAPSA-N 430.507 6.106 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(OCCC(C)C)c2)n2c(nc3ccccc32)N1 20672487 ALNQRRCAQNIWPW-DEOSSOPVSA-N 433.552 5.702 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 20797449 LVMWXGZVZUIBOC-QFIPXVFZSA-N 432.886 5.756 0 40 IKAB CCn1cc(C(=O)Nc2ccccc2C(F)(F)F)c(=O)c2cc(C(F)(F)F)ccc21 22236806 HYQDFRBMGAMHSX-UHFFFAOYSA-N 428.332 5.311 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N[C@@H](c3ccccc3)c3ccc4nc[nH]c4c3)cs2)cc1 25035550 OFVQQFXMJHPDSY-VWLOTQADSA-N 438.556 5.443 0 40 IKAB Cc1nc(NC(=O)c2ccccc2Br)sc1-c1nc(-c2ccccc2)no1 31814064 IOMVYJGIMOCAEA-UHFFFAOYSA-N 441.310 5.183 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)[C@H](C)Oc4ccccc4Cl)cc3)n2)cc1 32623862 MJUSPIVFNKKNIE-HNNXBMFYSA-N 449.894 5.472 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 33374588 RSLKMCPUBNHCOC-UHFFFAOYSA-N 449.765 7.149 0 40 IKAB CN(C(=O)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 35131912 SZTNJDGUSPXRJA-UHFFFAOYSA-N 430.511 6.632 0 40 IKAB CCc1cccc(C)c1Nc1c(-c2ccc(OC(F)(F)C(F)F)cc2)nc2ccccn12 35606573 XTLMIFOQFIEAGN-UHFFFAOYSA-N 443.444 6.852 0 40 IKAB O=C1N/C(=N\c2ccccc2F)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 35645169 CUGHCBTWOKONRU-FYJGNVAPSA-N 438.911 5.950 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 35938065 CFNNBDMQWZZTNH-MTSBXXTOSA-N 449.616 8.161 0 40 IKAB COc1cc([C@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1 59316170 RUOZPRWFDMXNSU-HNNXBMFYSA-N 446.425 5.059 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccc(Cl)c3)oc12 73642729 HYMJQCUVLFKUFX-UHFFFAOYSA-N 430.527 5.818 0 40 IKAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)c(Cl)c3)n3nc(C(F)(F)F)nc3N2)cc1 102230242 JZWXTDIPFHZJKA-HNNXBMFYSA-N 429.204 5.799 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(Cl)cc1Cl 102648489 HGEXYNKJYDCORC-QFIPXVFZSA-N 429.347 6.806 0 40 IKAB CCc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 102707450 SDKLWRWAVXGWGH-KWXIBIRDSA-N 448.522 5.453 0 40 IKAB COc1ccc(OC)c([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102719295 URSKXRRSLLNFJN-WNSKOXEYSA-N 432.476 5.314 0 40 IKAB Fc1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1Cl 107043347 ORPWQBNLFWFAJV-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB C[C@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@H](C)[C@@H]4[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@H](O)C[C@]12O 118913587 KEOLCBLQBIWDBI-NTSBTHSBSA-N 446.672 5.155 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 219676079 VOJVYQSGGLVATM-MRXNPFEDSA-N 442.378 6.147 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 222456669 BUTWIAAQCPINMD-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(OCc2ccccc2)cc1 222717513 VBFCVMXDEAMGAH-UHFFFAOYSA-N 432.372 6.444 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc4ccccc4c3)cc2C)cc1 222777884 LAGMXBABZRCRLL-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 223087874 ZUTFSLRAZTVSPN-VQTJNVASSA-N 444.616 5.008 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223441268 PEFLYJSQORVZGB-HSZRJFAPSA-N 426.576 5.043 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl 223914997 CGNQVUJPKRZPKB-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 223983568 BLYPIKOMTKKYLS-SFHVURJKSA-N 426.605 5.255 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1ccc(C)cc1 224123315 SVJUOSHCOACEFV-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224196519 ILJHSEJUWHCCNW-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 224343083 LZWVGRMFZYSICI-FTJBHMTQSA-N 438.600 5.920 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)c1 224350261 YBTTWOYOHBTKOV-UHFFFAOYSA-N 443.952 5.910 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc(OC)c1 224586912 LTUDSKMCGNBFEU-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224631501 ISZSTCCMGVMESJ-JOCHJYFZSA-N 447.044 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccccc1 224652672 XKMSBNJQBMJKJQ-UHFFFAOYSA-N 431.479 6.649 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3nnc(-c4ccc(C)cc4)s3)cc2)cc1 225033072 SXCQJSVHLNEIAT-UHFFFAOYSA-N 431.586 6.367 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225076766 UFSXNPMYOZNSSH-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 225226695 ZGKKHRUARAMXET-UHFFFAOYSA-N 430.577 5.021 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225369312 SXWPRQQJEWTGHE-DEOSSOPVSA-N 441.015 5.529 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225587323 BGUQJYOUIGHVPE-JOCHJYFZSA-N 444.978 5.418 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC(C)C 225763967 QDNCJNLDMYHYGV-UHFFFAOYSA-N 443.971 6.145 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1C 225790609 OCWBXXPHVNUJFV-ZDUSSCGKSA-N 427.795 5.473 0 40 IKAB COc1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c2cccnc12 225877226 RDCLFFQIBZHXTK-UHFFFAOYSA-N 445.510 6.018 0 40 IKAB O=C(O)C(Oc1ccc(-c2ccccc2F)cc1)Oc1ccc(-c2ccccc2F)cc1 226076081 LKVZYVQVJRGAOP-UHFFFAOYSA-N 432.422 6.167 0 40 IKAB O=C(Nc1cccc(Cl)c1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253562953 DWLFOMOFCITKAK-UEQSERJNSA-N 431.919 5.733 0 40 IKAB CC1(C(=O)N2CCC[C@@H](c3cncc(Oc4ccccc4)n3)C2)CCN(C2CCCC2)CC1 257289430 PYNXGPKMZSITOQ-OAQYLSRUSA-N 448.611 5.020 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2cccc(C(F)(F)F)c2)cc1 257294144 QSTFKQDLNFKTIQ-UHFFFAOYSA-N 443.421 5.533 0 40 IKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Br)c2)C1 257343333 ZSMCRWQLMRTISH-ZVDOUQERSA-N 436.777 5.980 0 40 IKAB CCOc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408571243 APDHPOLWPLHGBP-INIZCTEOSA-N 440.392 5.415 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccc(Cl)cc1 408699839 ZPVQZGSOPAQEPO-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB COc1ccc([C@@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 408974169 WEVZDZLHXKNZFP-HXUWFJFHSA-N 430.558 5.266 0 40 IKAB CCCN(Cc1ccccc1)C(=O)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980353 VSCPWIHNZKCCAP-UHFFFAOYSA-N 435.531 5.672 0 40 IKAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)N(C)C1=S 409041457 AFACRPSTGHJGQT-YVLHZVERSA-N 439.339 5.131 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 409109838 MLPLNRDMKRHIFI-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CC(C)Cc1nc(CCC2CCCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265617 VDUYIZNFUMSGFB-UHFFFAOYSA-N 444.413 6.921 0 40 IKAB CC1(C)c2ccccc2-c2ccc(Nc3cc(-c4ccccc4)cc(-c4ccccc4)c3)cc21 675083021 XEGCRHCBYHQFMC-UHFFFAOYSA-N 437.586 9.071 0 40 IKAB O=C(N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2cccc(F)c2)CCCC1 1848355744 BMRRBOQCKYXQLN-RUZDIDTESA-N 447.529 5.521 0 40 IKAB O=C(N1CCC(Cc2cccc3ncccc23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 1848355792 OLWNWODOICWHPV-UHFFFAOYSA-N 448.994 5.418 0 40 IKAB c1ccc([C@@H]2COC(c3cccc(-c4cccc(C5=N[C@H](c6ccccc6)CO5)n4)n3)=N2)cc1 1942116939 IGCOZILWCDLYHM-UIOOFZCWSA-N 446.510 5.180 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C 898907 BOWKEENIZXXJPN-KBMIEXCESA-N 430.523 6.139 0 40 IKAB Cc1cc(F)ccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901211 KBFFZZHZFASYBY-CYBMUJFWSA-N 435.446 5.729 0 40 IKAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1C 982769 KJGXEVCXVFEGOV-SANMLTNESA-N 430.573 5.372 0 40 IKAB aggregator COc1ccccc1NC(=O)N(Cc1ccc(F)cc1)Cc1cc2ccc(C)cc2[nH]c1=O 1352875 NBBXNMCXBWJKCM-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@H](C)C2 1747150 WNXLMSLRYSYLNI-INIZCTEOSA-N 429.582 5.499 0 40 IKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(N4CCCCC4)cc3)c2c1 1775643 LVSNRJNDUGSOEW-UHFFFAOYSA-N 447.535 5.322 0 40 IKAB Cc1ccccc1-n1c(SCc2ccccc2)nc2sc3c(c2c1=O)CC(C)(C)OC3 1835837 MAHNXBOQBNJEIM-UHFFFAOYSA-N 448.613 5.899 0 40 IKAB CCc1cccc(CC)c1NC(=O)COc1ccc2c(-c3ccccc3)cc(=O)oc2c1C 1917352 CDSNJPKWNQOHSO-UHFFFAOYSA-N 441.527 5.911 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1cccc(Cl)c1 1944181 ZOTXKRZQZPFWLZ-UHFFFAOYSA-N 445.924 5.271 0 40 IKAB Cc1cccc(C(C)C)c1N1COc2c(cc3c(-c4ccccc4)cc(=O)oc3c2C)C1 2122515 OETHTOMEGJVIRN-UHFFFAOYSA-N 425.528 6.557 0 40 IKAB biogenic CC(C)c1ccc(-n2c(N)c(C(=O)NCc3cccs3)c3nc4ccccc4nc32)cc1 2220181 CWWBAZZOFJEZBG-UHFFFAOYSA-N 441.560 5.271 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccc(Cl)cc2)c1 2225951 IWMBPZKTIXSHIH-XMMPIXPASA-N 436.939 5.904 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 2249617 KQOZEQOCEJUOAN-UHFFFAOYSA-N 448.913 7.081 0 40 IKAB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1 2267536 UYACQEFFFUNEQS-HKBQPEDESA-N 449.594 7.049 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(Sc3nnc(C)s3)n2)c(C)c1 2270355 JJWQLEDZEZQPIA-UHFFFAOYSA-N 449.609 5.904 0 40 IKAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 2413775 YKPYEZOQJABUCN-YADHBBJMSA-N 427.548 5.645 0 40 IKAB CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 2423419 FZHMDEXBEJQKPS-RPWUZVMVSA-N 442.519 5.352 0 40 IKAB O=c1[nH]c(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)nc2ccccc12 3336253 PXZYCXZVBHIERP-UHFFFAOYSA-N 437.956 5.242 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 4786558 MRSDYMYHPHCCHU-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1[P@@](=Nc1ccccc1Cl)(N(C)C)C(C)(C)C 5677850 DYMHEAIAVZXHFX-GDLZYMKVSA-N 428.948 6.576 0 40 IKAB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 6292433 ODYYALBVAZFORX-QGZVFWFLSA-N 434.561 5.933 0 40 IKAB Cc1cc2n(n1)[C@@H](c1c(OCc3ccccc3)ccc3ccccc13)Nc1c(C)cccc1-2 8450557 YBJOEBRVPHPGLH-LJAQVGFWSA-N 431.539 6.872 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 8767187 IDMQOPRBVCLZND-UHFFFAOYSA-N 430.426 5.700 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1Cl 8831513 FCIFRQOURQKDJZ-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(OCc5ccccc5)cc4)c3)oc2c1 9057308 PXKOPPSMZCTJTP-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3C(F)(F)F)ccc1O2 9135363 MTAGRVWOEBXRKR-UHFFFAOYSA-N 426.394 5.648 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc21 9172780 ZZVXOBIXYRSOCI-UHFFFAOYSA-N 444.597 5.018 0 40 IKAB CSc1nc(NCc2cccnc2)c2sc3nc(C)c4c(c3c2n1)CC(C)(C)OC4 9282624 BCPDTLYDCAYVEH-UHFFFAOYSA-N 437.594 5.128 0 40 IKAB O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2SC[C@H]1c1ccccc1 9468588 IOIJKKYHCLXERT-NRFANRHFSA-N 444.585 5.240 0 40 IKAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2cccs2)n1 9494070 GKOFZDSUQXBNSL-XMMPIXPASA-N 445.569 5.062 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc2c(Cl)cc(Cl)cn12 9508663 BJSWKCXYUNUWNK-UHFFFAOYSA-N 439.368 5.073 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ccc(-c2nc3ccccc3s2)cc1 9515263 SIZHWEDDBYANTE-HXUWFJFHSA-N 431.542 5.405 0 40 IKAB Fc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(F)cc6)oc5c4)cc3o2)cc1 9581559 MNXDRMRFHPQJAM-UHFFFAOYSA-N 438.433 7.172 0 40 IKAB CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1 9763560 GDIOWGPIPMIEAP-UHFFFAOYSA-N 431.845 6.523 0 40 IKAB O=C(Nc1cc2c(cc1Br)OCCO2)C1c2ccccc2Oc2ccccc21 9884073 ONKHBNMFFURCNH-UHFFFAOYSA-N 438.277 5.097 0 40 IKAB COc1cccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc3ccccc23)c1 10232996 IDBNGKHBCYVOQW-UHFFFAOYSA-N 437.520 6.343 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3C)c2C)cc1 10360541 ZZZPBPBBMBAAAD-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10371425 UIEAKGKQZXGBDG-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CCc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)cc1 10701094 ZORHMDQJTRQLOQ-MRXNPFEDSA-N 446.641 6.893 0 40 IKAB Cc1ccc(-n2nnc(C(=O)Nc3ncc(Cc4cccc5ccccc45)s3)c2C)cc1 11690082 OOOOEYNFIHMVTQ-UHFFFAOYSA-N 439.544 5.337 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)NC12CC3CC(CC(C3)C1)C2 11847544 VNYDFWOSXDVAFX-UHFFFAOYSA-N 435.618 5.535 0 40 IKAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(Cl)c(Cl)cc3Cl)[nH]c2c1 12484045 SAEVUVYKTZRBIT-VIFPVBQESA-N 444.771 6.041 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12675491 NGPNXNZMFPVWLQ-GFCCVEGCSA-N 435.578 5.309 0 40 IKAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 12679544 ULGCCENYWARMMA-ZDUSSCGKSA-N 439.566 5.177 0 40 IKAB CC(C)c1ccc(NC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 12878441 XVGYPBDOLUJBGD-UHFFFAOYSA-N 441.000 5.941 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 12902025 NZJDAPKKNGZCHX-UHFFFAOYSA-N 437.609 5.612 0 40 IKAB CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2cc(OC)cc(OC)c2)s1 13510116 ZXNZHZJSNCTUPK-UHFFFAOYSA-N 439.581 5.577 0 40 IKAB O=C(COc1ncnc2scc(-c3ccc(Cl)cc3)c12)N1CCCc2ccccc21 13525265 WNGLPHGYVRNNFG-UHFFFAOYSA-N 435.936 5.370 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628713 MUBKRLZLRXRZKY-UHFFFAOYSA-N 445.588 5.672 0 40 IKAB Cc1ccc(-c2nc(CC(=O)Nc3nc4c(ccc5ccccc54)s3)cs2)c(C)c1 14241687 MJKPFCFXQQPYFS-UHFFFAOYSA-N 429.570 6.371 0 40 IKAB Cc1ccc(-c2noc(CSc3nnc(-c4ccncc4)n3-c3ccccc3C)n2)cc1 15227354 NDQDLAQNKRJSEX-UHFFFAOYSA-N 440.532 5.288 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 15412237 UHOMSRKEAVQQDD-RUZDIDTESA-N 432.495 5.079 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 15931500 XKSWRUYYSKZLQA-AZGAKELHSA-N 446.978 5.676 0 40 IKAB COc1cccc(CNCc2ccc(C(=O)O)cc2)c1OCc1ccc(Cl)cc1Cl 16228254 ZNOODDPTMJJMIX-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)c1 16749936 RDTSIUBRUZALIF-XMMPIXPASA-N 443.499 5.556 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 17100891 UNEZYTRCEYQVSF-UHFFFAOYSA-N 436.924 5.232 0 40 IKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1sc2cc(Cl)ccc2c1Cl 17103280 WQDYMSYIEIKLFW-UHFFFAOYSA-N 439.433 5.637 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373078 AOFOSOZXHKJOEF-UNMCSNQZSA-N 439.563 5.345 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373184 CXEBMIILEYDRIX-NZQKXSOJSA-N 425.536 5.302 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19400554 OPUAYHSYFGHNBL-NBGIEHNGSA-N 427.539 5.010 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc3ccccc3cc2OC)cc1 19631732 PIALHBNKCUBUGS-UHFFFAOYSA-N 440.499 5.267 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3cccc4ccccc34)cc2s1 19647786 SAXRBOVFOMMNRD-UHFFFAOYSA-N 448.573 5.315 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C[C@@H]2C=CCC2)CC1 19700053 GXJTUXVVKMSGMG-HSZRJFAPSA-N 444.619 5.258 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 20108290 YVRMAMMAVIHKHB-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)CC1 20241854 WXKDFUQNRVLLTN-UHFFFAOYSA-N 443.591 5.393 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3n2)cc1Cl 20610827 SILSKDACLWLUBE-NYYWCZLTSA-N 439.302 5.388 0 40 IKAB Cc1sc2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(=O)n2c1C 20767657 AJVLUHPNUHGKLU-UHFFFAOYSA-N 425.897 5.071 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@H](C)c1cccc(Br)c1 22245601 NUYTXPBXZWIQLB-CYBMUJFWSA-N 430.371 5.473 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c1 22529125 PRVFMABKJKQAPK-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(COc2c(Cl)cccc2Cl)cs1 23082446 FNNOZUDUFUANFT-UHFFFAOYSA-N 427.740 6.367 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 23904873 FQUVCSVCBRFYCH-CQSZACIVSA-N 425.583 5.589 0 40 IKAB Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 25716596 OFOXZMJZNRJIPO-KRWDZBQOSA-N 447.482 5.358 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)n1 31639701 QXJXBFUAKCEHRD-OAHLLOKOSA-N 449.536 5.082 0 40 IKAB COc1cc(-c2nc3nc(C)cc(C)n3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O 35606517 XHOJWWJPKNDKDQ-UHFFFAOYSA-N 432.524 5.603 0 40 IKAB COc1cc(CC(=O)Oc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC 39978239 POVNKYZVAWDNSO-UHFFFAOYSA-N 435.501 5.137 0 40 IKAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)c1 40717323 YEHSRGUQRWKJGM-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44855397 NQMQUTISTNBXFG-QFIPXVFZSA-N 444.978 5.418 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(C(C)C)cc1 45890951 HSEWMWCKRZQFKW-UHFFFAOYSA-N 440.179 5.786 0 40 IKAB Cc1cccc(NC(=O)c2cc3cc(N(C)S(=O)(=O)c4ccccc4)ccc3s2)c1 46058501 FBEJVIAXFJFGDB-UHFFFAOYSA-N 436.558 5.287 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1C 58324544 FOACHHWBIJEVHQ-AREMUKBSSA-N 449.554 5.843 0 40 IKAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cccc(-c2ccsc2)c1 58326076 QZHHBAMDLXBFAL-UHFFFAOYSA-N 449.582 5.554 0 40 IKAB COC(=O)c1sc2nc(/C(Cl)=C/c3csc(-c4ccsc4)n3)nc(O)c2c1C 58406547 WHZOZZMNCLLXRA-WZUFQYTHSA-N 449.966 5.414 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1cc(Nc2ncc(C)s2)cc(C)n1 72372544 QWLFCPKZIDPWOT-NRFANRHFSA-N 436.581 5.203 0 40 IKAB CC(C)Oc1cccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c1 72394604 RKKLZKVPZSEXEM-NRFANRHFSA-N 429.630 5.046 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2nc(-c3cccs3)no2)c1 95947050 MPGKOQFNGFTHOS-KRWDZBQOSA-N 432.549 5.520 0 40 IKAB CC(C)(C)C1=NN(c2ccccc2)C(=O)[C@@H]1[C@H]1C(=O)N(c2ccccc2)N=C1C(C)(C)C 100989749 HVUYFELWXZRABM-WOJBJXKFSA-N 430.552 5.117 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1c(NCc2ccccc2)c2ccccc2oc1=O 101094639 ZJZVWYXEAMQAPU-UHFFFAOYSA-N 434.879 5.076 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 102676495 ZCJKFYHNWQJUCU-VWWWFFDPSA-N 430.529 5.220 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106726613 HDAOVCJWUNAOFM-PDGQHHTCSA-N 432.339 5.474 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1Cl 108111314 USBISJNZMCQRAB-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CC(C)Oc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582904 DDZAAXPGHQTUCB-AGRHKRQWSA-N 432.387 5.221 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 222702926 GQGWKDSHAFUVDE-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)C3(c4ccccc4)CCCC3)c2)cc1 223747819 JGVAQCRAPUVOBB-UHFFFAOYSA-N 440.587 6.687 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)cc1 223753057 OSSPWNLPRXAZHD-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224049761 CLMUPWACOBYQTQ-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CC(C)C[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccccc1 224108689 VJQCCGZQPIFSHG-XMMPIXPASA-N 436.577 5.029 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(Cl)c(C)c1 224207117 AVADKCSBHCVFHX-UHFFFAOYSA-N 425.868 5.217 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 224239371 TWFTVAHQIBAYOO-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1OC 224242491 DCGHVONOILRRNS-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CN(c1ccc(Cl)c(C(=O)Nc2ccccc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224345905 DNGJVZCFEYQTNG-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224351389 VJPKKEAKSWRLCO-IBGZPJMESA-N 441.786 5.133 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1 224950351 DJJVIJSNVZUBHX-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 224971540 QRAYNNIMROBSJQ-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1CCc1ccccc1 225841260 HMUMZTBGPQSSBC-UHFFFAOYSA-N 431.586 5.868 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)C1 226324742 KANKDKWAFWSSTF-VXGBXAGGSA-N 438.316 5.044 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)nc2)c1 257238165 HJWBQVRQNBNGOO-JOCHJYFZSA-N 446.566 5.504 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4cccc5cccnc45)C3)CCOCC2)cc1 257243643 IHXJLVTVPZWRCI-JOCHJYFZSA-N 428.576 5.073 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 257318818 VPNBAEKUHTZFPY-HSZRJFAPSA-N 430.567 5.905 0 40 IKAB Oc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)nc2sc3c(c12)CCCC3 408582288 MTRPYACSFVIYHE-UHFFFAOYSA-N 429.958 5.007 0 40 IKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccccc1I 408585684 HFERUCQNWMUURB-UHFFFAOYSA-N 429.685 5.376 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1OCC 408678881 JDPBKAKEFSLLHZ-UHFFFAOYSA-N 429.563 5.436 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)c1 408697056 GQWVDXNSBVIHKC-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(C)cc2)cc1 408699255 SMADGSJBJVIZHI-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408739368 ZRFLTNLDIJYLOP-VWLOTQADSA-N 428.532 5.512 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 408907199 MJYBKJCWKJXTFF-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1cccc(Br)c1 409159644 VZECNAWZFMPRGV-NVNXTCNLSA-N 426.694 5.478 0 40 IKAB Cc1ccc(S(=O)(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)cc1 409199648 PUZFWCNMTMKCEM-QPLCGJKRSA-N 448.613 5.635 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1CCC1CCCCC1 585264928 BUUYZGKDJMJNBS-UHFFFAOYSA-N 449.978 7.192 0 40 IKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(CCC3CCCCC3)n2)c1 585265399 NLOGIRJCGALZOI-UHFFFAOYSA-N 429.560 6.847 0 40 IKAB CN1CCCCN(C(=O)c2cccc(Cl)c2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643551222 WFSBCGHWGRGHEM-GGAORHGYSA-N 440.971 5.038 0 40 IKAB CCn1c(-c2ccccc2Cl)nn(CC(=O)Nc2cc(Cl)ccc2Cl)c1=S 639417 BWTNXPOPZSPNBB-UHFFFAOYSA-N 441.771 5.700 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1cccc(Cl)c1 925193 CDVQMSZWRWDYCX-UHFFFAOYSA-N 448.979 5.301 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2Cl)n2nc(-c3ccccc3)nc2N1 949710 QXDOUZDNTAUCBB-QFIPXVFZSA-N 441.922 5.526 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1F 1380054 YCEOAMLCIPXVFI-OAQYLSRUSA-N 426.513 5.236 0 40 IKAB Cc1ccc(Sc2c(C(=O)Nc3ccc(F)cc3F)c(C(F)(F)F)nn2C)cc1 1385352 AJLLAFQOGPLUOZ-UHFFFAOYSA-N 427.398 5.429 0 40 IKAB Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1Sc1ccccc1 1388114 CZLQKFMUGQFDRN-UHFFFAOYSA-N 441.862 5.992 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccccc2)cc(Sc2ccc(Cl)cc2Cl)n1 1392265 SVUZFZUSRNJFGG-UHFFFAOYSA-N 425.362 5.217 0 40 IKAB CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1 1447589 ABBDVSDGBJEORX-UHFFFAOYSA-N 433.515 6.098 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 2079587 PITLMVUPENUSAB-UHFFFAOYSA-N 431.875 5.604 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C[C@@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 2147131 QFXXLWVIGVAWMX-VWLOTQADSA-N 429.988 5.661 0 40 IKAB biogenic Cc1sc2nc(SCc3ccc(F)cc3)nc(SCc3ccc(F)cc3)c2c1C 2181070 QVLRGECQABFTIY-UHFFFAOYSA-N 444.597 7.171 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c(C)c1 2204687 PZQWADOCLRPULL-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 2336291 RAZDPLMGZXUJGO-AWEZNQCLSA-N 432.373 5.891 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(SC(F)(F)F)cc1 2549857 WTNADNOHQOTPAJ-UHFFFAOYSA-N 447.265 6.821 0 40 IKAB CCCCCn1nc(C(=O)Nc2c(CC)ccc(Cl)c2CC)c2ccccc2c1=O 2653157 NQHJPNRFYZWNQI-UHFFFAOYSA-N 425.960 5.617 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2737812 UJXUJCXECMRXTB-SNVBAGLBSA-N 427.740 6.176 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)/C=C/C(=O)O 2767187 GEDZGYODAGQVBT-OUKQBFOZSA-N 441.549 5.607 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 2916717 IMBARSFXZOGDSH-RPWUZVMVSA-N 444.897 5.592 0 40 IKAB COc1ccc(CCNc2nc(SCc3ccc(F)cc3)nc3ccccc23)cc1OC 2948776 HOCJJCQOTKCBQK-UHFFFAOYSA-N 449.551 5.733 0 40 IKAB Cc1ccccc1N(C(=O)/C=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2s1 3328072 XCMIZFPSQYFOGP-BUHFOSPRSA-N 438.474 7.002 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)COc1ccc(Br)cc1Br 3454705 LVESRZYXKLYMII-UHFFFAOYSA-N 441.163 5.028 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccccc4)cc3n2)c(C)c1 6569909 WBGQVVOFOFGMNT-UHFFFAOYSA-N 427.552 5.065 0 40 IKAB O=C1O[C@@H]2C[C@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 8715677 JTXSKGZAHCUCJH-XDZZJOFBSA-N 425.484 5.282 0 40 IKAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 8722598 AOXKHPGDZQLGOY-GDLZYMKVSA-N 435.523 5.464 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2S1(=O)=O 8756943 BVCSIVDRLSIGKQ-UHFFFAOYSA-N 447.343 5.637 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810365 FGRVPDNIXUZNJP-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1ccc2sc(-c3ccc(NC(=O)[C@@H]4CCCN4C(=O)c4cccs4)cc3)nc2c1 8816052 SSZGUOJBZBTMDG-IBGZPJMESA-N 447.585 5.577 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 8831367 BSFHCLQEABORTJ-UHFFFAOYSA-N 441.778 5.408 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c(C)c1 8871473 BIQBWARDFZHFBS-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(C(=O)OC4CCCCC4)cc3)o2)cc1Cl 8904115 IFMZFEUVZVOIOD-UHFFFAOYSA-N 437.923 6.650 0 40 IKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2c(Cl)cccc2Cl)cc1 8951846 YWNGHXVNEWBXJW-SRZZPIQSSA-N 442.273 6.056 0 40 IKAB O=C(c1ccc(Br)cc1)[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 9035532 SMKNEWPCJXBHSH-NFBKMPQASA-N 433.305 5.202 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9192005 YFVWOIWAXGDSFA-SQJMNOBHSA-N 448.906 5.710 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)c1 9210412 GFOSQLKLEMWJOU-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB c1ccc(Cn2c(SC(c3ccccc3)c3ccccc3)nnc2N2CCOCC2)cc1 9365809 ITZJBVDPEBZGOZ-UHFFFAOYSA-N 442.588 5.045 0 40 IKAB COc1ccc(-c2cn3nc(COc4cc(C)ccc4C(C)C)n4c3c2CCCC4)c(F)c1 9404791 PHBFHDXWQJIFNN-UHFFFAOYSA-N 447.554 6.298 0 40 IKAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1cccc(C(F)(F)F)c1 9627885 RXJZVAYDZYXGCW-UHFFFAOYSA-N 439.846 5.249 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2Cc2ccccc2)cc1OC 9632838 SYCVOBLNXSJDBM-UHFFFAOYSA-N 440.337 5.700 0 40 IKAB O=C(COC(=O)COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1C(F)(F)F 9633134 FWNRJUMUOMJVQP-UHFFFAOYSA-N 437.801 5.073 0 40 IKAB CCCOc1ccccc1NC(=O)CSc1nccn1-c1ccc(Br)cc1 10886815 WXOOFJFWIHJEPY-UHFFFAOYSA-N 446.370 5.154 0 40 IKAB CC[C@H](NC(=O)Cn1c(-c2cncs2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12418752 RZVMPQWJXIKDEQ-TVHGACNRSA-N 434.609 5.271 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(F)c(F)c3)n2)cc1 12442164 LBPDEGPEAAEAHM-UHFFFAOYSA-N 440.475 5.233 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1ccccc1Oc1ccccc1 12565274 KQFUGVNGJVVUEF-UHFFFAOYSA-N 442.437 5.587 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1 12565882 VONCVKHMISCWGP-HSZRJFAPSA-N 448.588 5.758 0 40 IKAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)C(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 12885621 IUZFBPIVRNEGLQ-RBFDBLARSA-N 443.565 5.191 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1 13113073 JRYOGFZPJRKEDU-KBPBESRZSA-N 425.485 5.502 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CCCc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1 13483842 AGUFWTFDGVDCAS-UHFFFAOYSA-N 435.524 5.172 0 40 IKAB O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1Cc1ccccc1Cl)CCC4 13691468 QIQLZHXKCVWLQV-UHFFFAOYSA-N 433.920 5.457 0 40 IKAB FC(F)(F)c1nc(NCCSCc2ccc(Br)s2)c2ccccc2n1 14092689 ZUAQTUNUSYLEQK-UHFFFAOYSA-N 448.333 5.818 0 40 IKAB COc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ccccc5)CC4)c23)cc1 14123789 NFQGGTUJIPGPKP-UHFFFAOYSA-N 444.560 5.222 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3cc(C)ccc3C)cc2)cc1 14190194 ADXHZRYSWIKYGC-UHFFFAOYSA-N 430.504 5.166 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)/C=C/c1cccs1 15978009 GMUYVERDTJUSHA-CSKARUKUSA-N 432.954 5.163 0 40 IKAB Cc1ccc(C)c(NC(=O)NC[C@@H]2C[C@@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 16291012 CQYUGFXDMAIPDA-SFTDATJTSA-N 436.600 5.526 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 16639366 NDXPTWUNQXCZKQ-LJQANCHMSA-N 442.559 7.440 0 40 IKAB CCOc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccccc1F 16688711 NIVAQUVPRMSGIA-UHFFFAOYSA-N 436.365 5.988 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccc(F)cc2)S1 16754516 PYVPNZPPRXQWOV-PXKPWODBSA-N 443.503 5.521 0 40 IKAB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@H](Sc2ccccc2)CS1 16779186 FPHWAICXXZYOFX-QUCCMNQESA-N 436.627 5.931 0 40 IKAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl 17027213 CUUGTDRTVUCLIM-HSZRJFAPSA-N 448.885 5.024 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 17095927 IENYWXCJIAOMSM-GOSISDBHSA-N 428.532 7.049 0 40 IKAB COc1cc(NC(=O)COc2ccc3ccccc3c2)ccc1NC(=O)c1cccs1 17097955 GSBYABYFVQUBEY-UHFFFAOYSA-N 432.501 5.180 0 40 IKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19832311 VHQXEEFTKPQEFF-UWURSXPMSA-N 428.601 5.378 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccccc4[nH]3)cc2)cc1 19957156 PVJHFOMZABMNKR-UHFFFAOYSA-N 431.517 5.284 0 40 IKAB COc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1 20274455 DSJOVMDVTCJZDS-FQEVSTJZSA-N 434.883 5.310 0 40 IKAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ccnc(Cl)c1 20744648 BSLCFPCTSPFXHX-UHFFFAOYSA-N 434.879 5.088 0 40 IKAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 20797501 LANZYIPLNKIIJO-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)Nc2ccccc2C(C)(C)C)cs1)c1ccccc1F 21336274 BRDSRNNZBMAQAY-BUHFOSPRSA-N 437.540 5.916 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2cc1C 21578675 PEXQBQYZSLMULJ-UHFFFAOYSA-N 440.930 7.479 0 40 IKAB C[C@@H](C(=O)Nc1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22920642 IHLPSSABOMNBIL-QHCPKHFHSA-N 449.598 5.574 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 26124024 YAVNJNJUXWBYHR-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB COc1cccc(NC(=O)Nc2ccc3nc(-c4cccc(Cl)c4)cc(OC)c3c2)c1 33129247 ZFAVDGGUPYCSME-UHFFFAOYSA-N 433.895 6.216 0 40 IKAB CC[C@H](NC(=O)c1cccc(COCC(F)(F)C(F)F)c1)C12CC3CC(CC(C3)C1)C2 33580378 CZCMGTWILXREHC-JNCPLXCYSA-N 441.509 5.828 0 40 IKAB COc1ccc(-c2nc3cc(C)ccn3c2Nc2ccc(Br)cc2)cc1OC 35615900 CAGCZUWYNVLQFZ-UHFFFAOYSA-N 438.325 5.833 0 40 IKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 40485436 YUUSGJHEVSZURO-QFIPXVFZSA-N 434.333 5.810 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44852879 SVHYNMZSRORHPT-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 44901768 AFEYTCCGSHNIDH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 57313309 WSUDCVHIIRAXPA-JLHYYAGUSA-N 441.874 6.455 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1Cl 57317038 FOMRJJHPXSNJMP-UHFFFAOYSA-N 434.717 5.691 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3ccsc3c2=O)c1 57487384 OJILINKLNDVCJQ-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB CN(C(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cc(Cl)ccc1Cl 58144484 JTTVUCNJAYOSGE-UHFFFAOYSA-N 432.273 5.287 0 40 IKAB Cc1c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)cccc1-c1nc2ccccc2o1 59294305 IRBSAIKNHIFYIA-UHFFFAOYSA-N 442.559 6.897 0 40 IKAB Cn1c(=O)n(C)c2cc(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)ccc21 64408176 SIMRRJBJPXIQOP-UHFFFAOYSA-N 440.739 5.304 0 40 IKAB Cc1cccc(N2N=C(c3ccco3)C[C@@H]2c2cc3c(cc2Br)OCO3)c1 68603700 XOHDUJIKGRKFEK-GOSISDBHSA-N 425.282 5.435 0 40 IKAB biogenic CC[C@@H](C)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 69351531 XYJXKXJWAADCFR-QVKFZJNVSA-N 448.394 5.377 0 40 IKAB Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 72337822 NGXURAVDXYYDHZ-DFQSSKMNSA-N 448.533 5.084 0 40 IKAB CNC(=O)c1ccc(CN(C)C(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 83882278 CUAXEKGFFNSJIE-UHFFFAOYSA-N 441.767 5.493 0 40 IKAB COc1ccc(CNC(=O)C[C@H](c2ccc(OC)cc2)c2c[nH]c3cccc(OC)c23)cc1 85875485 HDHSZSFNQUPDOE-JOCHJYFZSA-N 444.531 5.032 0 40 IKAB biogenic CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493034 OOUCIUZOGLWLAN-LVDITCJXSA-N 430.717 6.996 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037778 VJSIYDVHBLTXMA-UHFFFAOYSA-N 443.938 5.001 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(OC)c1 102839782 ZRVPLKLACAGKSC-BZDHPDOMSA-N 430.548 5.474 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118913877 KSPIGVXMBWTYCY-SJQQJJQDSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro O=c1[nH]c2ccccc2n1C1CCN(CCC[C@H](c2ccccc2)c2ccc(F)cc2)CC1 199831973 PVCIEUVRTMSCLG-RUZDIDTESA-N 443.566 5.718 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222846642 WDTASKXIXOXWRB-PMACEKPBSA-N 442.382 5.485 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223047676 OZBKTVHCNRMCPC-OAQYLSRUSA-N 426.626 5.119 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223357987 LOWMNKVKUAWSMO-ZEQRLZLVSA-N 444.560 5.037 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223759533 NKYJZPJFWOYSSK-NRFANRHFSA-N 438.637 5.262 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223793680 FRCQHPDTTJWCHY-RPWUZVMVSA-N 434.609 5.657 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 224145839 ILMNDZZZNRQHJY-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB CN(c1ccc(C(=O)Nc2cccc(Cl)c2)c(Cl)c1)S(=O)(=O)c1ccccc1 224229337 ZYNPMIGTKNGUNK-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544143 QZRRQCWJUNEYMA-UHFFFAOYSA-N 425.787 5.218 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(OC)cc1 224598792 HVROATHTTJNJRE-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc2c1CCCC2)c1ccccc1 225493430 VJZXGCHXFBTGHH-LJQANCHMSA-N 428.532 5.074 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 225869156 HFSVUBLZHWPFMZ-MBSDFSHPSA-N 425.569 5.398 0 40 IKAB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3F)o2)c2ccccc12 226769330 GDWJZBVQDIFOBQ-UHFFFAOYSA-N 428.213 5.190 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4)o3)C2)ccn1 257219680 DHQRBIFHFLXCGJ-FQEVSTJZSA-N 444.560 5.112 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCCC2)CC1 257236615 HCZNNKPPTZVWNS-UHFFFAOYSA-N 432.608 5.140 0 40 IKAB CCn1cc(CCc2nc(N3CCC[C@@H]3c3ccccc3)ncc2C(=O)O)c2ccccc21 257260694 LDXXWKLSYVDLLG-XMMPIXPASA-N 440.547 5.276 0 40 IKAB COc1ccc(CN(Cc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)O)cc1 257301207 RXJZSSNDWGMPGV-UHFFFAOYSA-N 447.531 5.125 0 40 IKAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC 408566168 DVRCWBWLRWRTIK-WUXMJOGZSA-N 447.325 5.076 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408571262 AUDJCGYMSPZUCO-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408645647 SONGSIOSDSHIRF-NRFANRHFSA-N 428.532 5.650 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C(=O)[C@@H]2C1 408686337 SFGYOCLOWICVSP-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB COc1ccc(CCCC(=O)Nc2c(C)cc(I)cc2C)cc1C 408915379 XXYGXQDVOMEWDY-UHFFFAOYSA-N 437.321 5.186 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409115623 KEUHGIIIAVRUNC-PWLKQHPYSA-N 428.963 6.889 0 40 IKAB Cc1cc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)no1 585268796 RXEWCQNCBIIOLD-QGZVFWFLSA-N 436.459 5.048 0 40 IKAB CC(C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)c1 585293370 VULFSOVJYFLURK-OPHFCASCSA-N 429.988 5.761 0 40 IKAB CCOc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccc(-c2ccc(OC)cc2)c1C)CC3 585294094 MSJBVKBQDTZHLJ-UHFFFAOYSA-N 440.543 5.749 0 40 IKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3CCc4ccccc4C3)c2c1 906288 KRNZJUWOWWXHTK-UHFFFAOYSA-N 425.557 5.282 0 40 IKAB CC1CCN(c2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CC(C)(C)OC4)CC1 1246185 DILQGPORYTYRMC-UHFFFAOYSA-N 434.565 5.587 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 1326308 XGGWGUPRGUKMTC-GFCCVEGCSA-N 425.579 5.058 0 40 IKAB O=C(OC[C@@H]1[C@@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl 1751527 ZXIGIRHSXSWKBO-ZIAGYGMSSA-N 448.129 5.427 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(OC(F)F)cc1 1895322 HCNLNAPPRXXOQI-JLHYYAGUSA-N 443.471 5.845 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc2ccccc12 2065959 AGJKNLXYFDPWHK-UHFFFAOYSA-N 433.623 7.563 0 40 IKAB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(Cl)cc2)C1=O 2107031 MKYPRURZVRYSAR-DHLKQENFSA-N 449.982 5.087 0 40 IKAB biogenic COc1ccc(C(=O)Oc2ccc3ccccc3c2Br)cc1Br 2134650 AKAAKFTVXOVAIM-UHFFFAOYSA-N 436.099 5.593 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(C)cc(C)c2o1 2204186 QMMAIVOBKIYNIS-UHFFFAOYSA-N 447.512 5.567 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3cccc4ccccc34)ccc12 2418860 RJPAVPDGMMUFQH-UHFFFAOYSA-N 446.424 7.211 0 40 IKAB biogenic CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2435822 ONSDAUXCDIKZDH-GOSISDBHSA-N 443.576 5.574 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)s2)nc2cc(-c3nnc(-c4ccccc4)o3)nn12 2785558 PWKOBMLVSKMZNM-UHFFFAOYSA-N 447.829 5.847 0 40 IKAB CN(C)c1cccc2c(-c3ccc(N(C)C)c4c(N(C)C)cccc34)ccc(N(C)C)c12 3764921 MGEFNEUTVRVZPD-UHFFFAOYSA-N 426.608 5.924 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 3999423 AYNSZTKDERUHKJ-UNKHHZGDSA-N 431.620 5.198 0 40 IKAB biogenic Cc1cc(O)c([C@@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccs2)c(=O)o1 6418424 ILDJNMVFIVMEQZ-FQEVSTJZSA-N 426.578 6.196 0 40 IKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2cccc(Cl)c2)cc1 6472303 KYZNHYVAHJUNOF-NRFANRHFSA-N 438.877 5.682 0 40 IKAB CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)c2ccccc2)[C@@H]1c1ccccc1 8694723 YMTDDDYWBVGJMJ-DGPALRBDSA-N 444.578 7.332 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1nc(-c2ccccc2Cl)no1 8708609 PANQGWVINFVCOT-UHFFFAOYSA-N 448.335 5.043 0 40 IKAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756226 KVLXTBPNYZQHSG-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccc(F)cc2)s1 8770646 WBOIGRSHRKTGCL-UHFFFAOYSA-N 429.329 5.920 0 40 IKAB FC(F)(F)c1nn(-c2ccccc2)c(-c2ccccc2)c1OCc1ccc(Cl)cc1 8855264 RXRJFUGXOVCCKW-UHFFFAOYSA-N 428.841 6.791 0 40 IKAB CC(C)n1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 8883309 LBSCRHBWGWIURT-AWEZNQCLSA-N 431.521 5.362 0 40 IKAB O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)C1CCCC1 8924272 WIBKOFNQRLQDQR-UHFFFAOYSA-N 443.410 5.996 0 40 IKAB Cc1ccc(-n2nnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 9124856 PSVHIOGYDFYINP-SFHVURJKSA-N 429.549 5.065 0 40 IKAB O=C(c1ccccc1SCc1ccsc1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 9216915 BDGLZBUQISMRKN-UHFFFAOYSA-N 449.601 5.161 0 40 IKAB c1ccc(CSc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1 9281745 ALVNQCOYHNIYFI-UHFFFAOYSA-N 439.609 7.078 0 40 IKAB Cc1ccc(NC(=O)C2=C(c3ccccc3)N=C(S)N[C@@H]2c2ccc(Cl)cc2)cc1 9304813 IFSNGKSBDRHXMG-JOCHJYFZSA-N 433.964 5.629 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)cc1 9308193 CLFNPXJODPULCT-UHFFFAOYSA-N 436.512 5.019 0 40 IKAB COc1ccc(-n2c(COc3ccc(Cl)cc3)nnc2SCC(=O)C(C)(C)C)cc1 9309003 UKHBDLCVRAPRNL-UHFFFAOYSA-N 445.972 5.216 0 40 IKAB O=C(Cc1cccs1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 9391002 QILHLKMWMZAKCU-UHFFFAOYSA-N 433.558 5.654 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)OCCCO3)cc1 9414572 ICDONOAUGRHHDB-UHFFFAOYSA-N 448.544 5.139 0 40 IKAB CCC(CC)C(=O)Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12 9518352 NCRXHMLSLVOHFD-UHFFFAOYSA-N 434.414 5.958 0 40 IKAB Cc1sc2nc(-c3cccs3)nc(N[C@H](C)c3ccc(S(C)(=O)=O)cc3)c2c1C 9576901 KORZEONQIYBDHG-CYBMUJFWSA-N 443.619 5.613 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4ccccc4)o3)n2CC(C)C)cc1 9867026 WFKZKBNKLIZETP-MRXNPFEDSA-N 435.553 5.513 0 40 IKAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 10059176 GXTRESROKNMPNM-GDLZYMKVSA-N 439.555 5.005 0 40 IKAB CCOc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 10294154 PQJXDDMGTHUYAN-RUZDIDTESA-N 432.545 5.112 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183504 TUOKQHQQFXDVEX-JLJPHGGASA-N 440.535 5.357 0 40 IKAB CN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)c1cccc(CSc2ccc(Cl)cc2)c1 12684971 UMXDQBYKRUVCSM-UHFFFAOYSA-N 449.963 5.141 0 40 IKAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1OCc1ccccc1Cl 12777290 WWEPIVCDWMKTHW-HSZRJFAPSA-N 435.907 5.096 0 40 IKAB COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)c(OC)c1 12809404 BIEQZYSGMBNFSA-UHFFFAOYSA-N 426.516 5.500 0 40 IKAB Cc1cccc(N2CCN([C@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1C 12991151 PNQUSSFOXYVWMZ-QGZVFWFLSA-N 430.474 5.255 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C3CCCC3)[C@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 13500627 ZYOSCURQRURKSH-DEOSSOPVSA-N 448.615 5.080 0 40 IKAB CN(c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1cccs1 13678055 AGBXRPTXXVQYQU-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2ccccc2)nn1-c1ccccc1 14357016 UFODHQSQKOAUNZ-UHFFFAOYSA-N 440.543 5.482 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)cc1C 17180175 MOUJYGDNUQWUJG-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB COc1cccc([C@@H](Nc2nc(-c3cccs3)nc3ccccc23)c2nccn2C)c1 17591108 CUQXYKVTDKCCRR-OAQYLSRUSA-N 427.533 5.302 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3ccc(OC)s3)cc2N1 19520626 GGKSSLKACDCJPM-XNRPHZJLSA-N 442.507 5.018 0 40 IKAB CCN(CCc1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712688 ZRAZFDACZLRQMG-PKTZIBPZSA-N 435.593 5.180 0 40 IKAB O=S(=O)(Cc1ccc(-c2csnn2)cc1)c1ccc(Br)c2ccccc12 19855176 QQKWUORVMGEJAW-UHFFFAOYSA-N 445.363 5.095 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144725 RMYHPGNTZPDHSG-LLVKDONJSA-N 440.710 5.805 0 40 IKAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)CC2)cc1 20529103 LAEIIDXXNXAJQZ-UHFFFAOYSA-N 441.575 5.081 0 40 IKAB Cc1nc(COc2ccc([C@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)cs1 20936532 GROBPPUIPZQUKA-IBGZPJMESA-N 433.455 5.159 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccccc1C(C)C 28284495 XCOBVRUDPRYLCK-UHFFFAOYSA-N 439.533 5.351 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)o2)cc1 30813721 PVKYPPHUQYDMEI-UHFFFAOYSA-N 444.453 5.148 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30855399 BIYVGMXAGZDMRT-QHCPKHFHSA-N 449.978 6.665 0 40 IKAB Cc1ccc([C@@H](NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2)cc1 30873404 CTORWBGLZSSAKN-NIJSQZSCSA-N 437.970 7.095 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(O[C@H](C)CC)cc3)sc2c1 32119074 ZOTLFTBMSTVGHX-OAHLLOKOSA-N 441.622 5.943 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)c1 33021921 VHXNSRQIUQWLNV-UHFFFAOYSA-N 448.857 6.158 0 40 IKAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3c4ccccc4cc4ccccc34)C2=O)o1 35132186 REROUJXOAZIPDO-LPYMAVHISA-N 443.480 5.609 0 40 IKAB CCc1cccc(C)c1-n1nnnc1C1(Nc2ccc(OC)c(OC)c2)CCC(C)CC1 35622789 JBBJGFLPTCNOFO-UHFFFAOYSA-N 435.572 5.068 0 40 IKAB O=C(Oc1cccc2ccccc12)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Oc1cccc2ccccc12 36020259 XPWPZXGCDIIACE-FOCFSEODSA-N 434.491 5.942 0 40 IKAB C[C@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[nH]1 40385812 MJMIFCGBASSJGB-HNNXBMFYSA-N 437.528 5.074 0 40 IKAB Cc1cc(C)c(Cn2c3ccccc3n3c(=O)cc(-c4cccc(Cl)c4)nc23)c(C)c1 40484663 CWINTYPPBXIKCU-UHFFFAOYSA-N 427.935 5.943 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 44855379 OSQBIMJNFHSKLU-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB Cc1ccccc1C(=O)CSc1nccn1-c1cccc(C(=O)NCc2ccccc2)c1 57486267 MNUQJVIWKORLMS-UHFFFAOYSA-N 441.556 5.086 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)CC1 61992842 RSUMDFBTCAAZNY-ZVCRQVTJSA-N 443.031 5.085 0 40 IKAB biogenic COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Sc3ccccc3)o2)cc1 63917037 WOBWGSGXONDEMW-UHFFFAOYSA-N 430.529 6.073 0 40 IKAB CC(=O)c1c(C)n(-c2ccccc2)c2cc(Br)c(OCc3nnc(C)o3)cc12 68755370 WMQYYJSLMVPMOA-UHFFFAOYSA-N 440.297 5.174 0 40 IKAB COc1ccccc1Cc1cccc([C@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)n1 72349948 PLHAPVXUKVUBNB-QHCPKHFHSA-N 429.564 5.019 0 40 IKAB C[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@@H]2C[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CN2C[C@@H](C)CC[C@@H]2[C@@]1(C)O 101084931 YSOKTNCRCPDOCA-GADYRWAYSA-N 427.673 5.162 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106721303 ORQPAVCMHUZXAE-UNOMPAQXSA-N 436.360 6.409 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 107042140 KPTDTJCABJPYGC-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 109016468 POPRPECCKAJPEI-ZULIPRJHSA-N 438.572 5.681 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)ccc1OC 214392410 JKZLKTUSUKZNQV-GIJQJNRQSA-N 438.332 5.637 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc4ccccc4c3)c2C)cc1 222777437 QZAJSQOSFKMQDM-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222820514 PFEVHIXEYWGEJK-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222940791 IOXJWWBEKOMBTF-FCHUYYIVSA-N 425.985 5.932 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079289 QEAMGYJZKXSWDF-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223146381 XBEMDZYPGWPGCJ-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223903075 BJCGCNRZYHJYGK-HRAATJIYSA-N 435.395 5.258 0 40 IKAB COc1ccccc1Oc1ccc(NC(=S)NCc2ccc(-c3ccccc3)o2)cn1 223912262 LRHBMZAKEPGFTN-UHFFFAOYSA-N 431.517 5.629 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 223971836 KIRNDKAPVFNGIM-FQEVSTJZSA-N 430.614 5.359 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224007378 NWIZNBQZYAUFDM-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2ccc3ccccc3c2)c1 224152319 PLMVZNPONDITCI-UHFFFAOYSA-N 434.492 5.056 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224209149 SLXYTPYVUFTNDY-LJQANCHMSA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc2ccccc12 224301888 CPNQBHBEZIROKZ-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc(Cl)cc1 224471323 OETVNZCZPHVPCY-XZOQPEGZSA-N 437.012 6.219 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225612843 PJISGJYYJMDASR-KKSFZXQISA-N 435.395 5.258 0 40 IKAB COc1cc(C)c(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1C(C)C 225670520 AELMMNWPAUGRIH-UHFFFAOYSA-N 435.568 5.747 0 40 IKAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccccc1Oc1ccccc1 225731210 CFOYILLVZXBWAC-UHFFFAOYSA-N 449.304 5.195 0 40 IKAB CC(C)(C)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3ccc(Cl)cc3)CC1)O2 225818734 MTHIAWGGBZSIGH-UHFFFAOYSA-N 426.944 5.669 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1cccc(Cl)c1 408552569 QYHQJQYIFKBAJG-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)cc(I)c1O 408610660 RBJAOSQXIINCNW-UHFFFAOYSA-N 438.092 5.314 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1C 408640239 IDRRPRQXLYLZJD-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1C 408641803 NBMVNBVVPPVXJM-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(C)=O)c2)cc1 408675922 LXDYVNAFLFDRGK-UHFFFAOYSA-N 426.472 5.029 0 40 IKAB Cc1sc(NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)nc1-c1ccccc1 408979018 KVACTXCMDGPVLK-JOCHJYFZSA-N 441.556 5.618 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1 409111010 ZYORBXKMQYDQPI-JLPGSUDCSA-N 427.544 6.208 0 40 IKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409115469 MMIDNNSJYBHOJD-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1cccc(Br)c1 409167523 IZIHFWSGXYYCEM-RIYZIHGNSA-N 443.149 5.992 0 40 IKAB CCCOC(=O)c1cc(NC(=O)CSc2ccc(Br)cc2)ccc1Cl 409182738 NJNYGDAAJMFVMQ-UHFFFAOYSA-N 442.762 5.400 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c(C)c1 409333357 SCKXAPAANPAQHO-UHFFFAOYSA-N 440.956 5.538 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409358207 DEQOXBZKNYCMMK-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c2ccccc12 409358551 LNDFPARWLOHDQT-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 504294257 RJJBNZOLYQZPJQ-QLBVCIFUSA-N 429.541 5.825 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](O)c1ccc(-c2cccs2)s1 606440676 OMFNJEISSVIDMV-HNNXBMFYSA-N 444.965 5.557 0 40 IKAB CCCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c1 2037872913 YGCUHTZPWSNEGD-UHFFFAOYSA-N 444.506 5.820 0 40 IKAB Cc1nc(CO[C@H]2CCN(Cc3ccc(F)c(F)c3)C[C@H]2Cc2ccccc2)cs1 2055754617 JNHYAYHWSYEZSJ-YKSBVNFPSA-N 428.548 5.380 0 40 IKAB CCCN(CCC)C(=O)c1sc(NC(=O)c2cccc(Cl)c2)c(C(=O)OC)c1C 871217 ITTOXDURJJSXGG-UHFFFAOYSA-N 436.961 5.011 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2cccc(C)c2)c1C 871949 MHLOHUXXKUABFB-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 884622 WBEMYCQDWPBNPH-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 1320613 HNEHHBXWWZVGQZ-XMMPIXPASA-N 440.326 5.309 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)c1 1353199 AVFRNEMXWRTPCB-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB Cc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 1776882 RXISCIWUAYXKCQ-UHFFFAOYSA-N 427.283 6.780 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c(Cl)c1 2070608 GLYQYWPYCGJVKV-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CCOC(=O)c1cccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)c1 2210881 TTXHSKUDZLWHPV-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB CC(=O)N1CCN(c2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)CC1 2343654 JDZNWICRCXLDRT-UHFFFAOYSA-N 448.375 5.129 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2355820 VFKUZNIFNGEWLY-UHFFFAOYSA-N 448.411 5.372 0 40 IKAB O=C(Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1Cl 2368033 SEBSJASRWJIANN-UHFFFAOYSA-N 425.875 6.463 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O 2410244 UEUFVZZCMZCEKA-QHCPKHFHSA-N 427.500 5.737 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012844 JYGHPBDHKZMLTL-ZFWWWQNUSA-N 445.228 5.696 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cc(Cl)sc2Cl)cs1 3210148 RMJLJWSZFHNNBI-UHFFFAOYSA-N 435.357 6.593 0 40 IKAB Cc1ccc(-c2cc(-c3nnc(SCc4ccc(F)cc4)n3N)c3ccccc3n2)cc1 3293061 PXHLZTCFKZYFAT-UHFFFAOYSA-N 441.535 5.614 0 40 IKAB CCCCOc1ccc(/C=C2/N=C(c3ccc(OCC)c(OCC)c3)OC2=O)cc1OC 3322382 QZVKHMWIORNANL-XMHGGMMESA-N 439.508 5.016 0 40 IKAB CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 5762506 ZEGUWBQDYDXBNS-CHAFTWNYSA-N 442.728 7.140 0 40 IKAB biogenic,in-vitro CCOc1ccc(NCC(=O)Nc2ncc(Cc3c(Cl)cccc3Cl)s2)cc1 6161547 MYZCVYUXYSISBV-UHFFFAOYSA-N 436.364 5.490 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1F 8758359 ZFIFKZSAQMQWLY-IBGZPJMESA-N 429.495 5.165 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 8831763 VVSKNWFOHZQHQQ-KXCGHJCSSA-N 448.419 5.899 0 40 IKAB Cc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1C 8857154 VUZONELWRGIEGN-UHFFFAOYSA-N 428.879 5.373 0 40 IKAB CCCCOC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)OCCCC)cc2)cc1 8870228 OHNAJASXXFMSGT-UHFFFAOYSA-N 428.554 5.409 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902787 RFGHAYBSKWHTMJ-UHFFFAOYSA-N 435.505 5.283 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc2Oc2ccccc21 8961123 RZUYKGKMVVZSTI-UHFFFAOYSA-N 436.533 5.185 0 40 IKAB O=C(O)c1ccc2ncc(C(=O)O)c(Nc3ccc(OCc4ccccc4Cl)cc3)c2c1 9006235 UYSOPUWLADOYIS-UHFFFAOYSA-N 448.862 5.607 0 40 IKAB CCOCCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 9308324 LHXNDKPNEAZLDP-UHFFFAOYSA-N 440.594 5.549 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(OC)c1 9396693 GQJJHNFIKBFSOM-UHFFFAOYSA-N 443.528 5.198 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1cc2ccccc2o1 9492076 XIJCAHQGMFODGQ-UHFFFAOYSA-N 437.590 6.157 0 40 IKAB COc1cccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)c1 9679134 KCJCWNAADMSRTI-DEOSSOPVSA-N 429.907 5.797 0 40 IKAB CCCNC(=O)CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1C 9765102 KPYYIGPLBNNDHW-UHFFFAOYSA-N 449.601 5.041 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)n2)cc1 9818971 MFNWXRCUIDTNJL-IBGZPJMESA-N 432.549 5.341 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccccc3c2=O)c(C)c1 10211452 FNSFDUBCNCWTMS-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)cc1 12192348 GNABHKPXYBDHEA-DGPALRBDSA-N 448.566 7.261 0 40 IKAB O=C(CSc1nnc(C[C@@H](c2ccc(F)cc2)c2ccco2)o1)c1ccc(Cl)cc1 12389882 SFOSNYPIVCFSQI-SFHVURJKSA-N 442.899 5.805 0 40 IKAB Cc1cc(NC(=O)CCC2CCCCC2)n(-c2nc(-c3ccc4c(c3)OCO4)cs2)n1 12442316 SEPZEUBMORYTKE-UHFFFAOYSA-N 438.553 5.332 0 40 IKAB CSc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561640 ARYRJVRHRUXSRY-PXDATVDWSA-N 430.529 5.422 0 40 IKAB CCCc1noc(CSc2nnc(-c3cccc(C)c3)n2-c2ccc(OCC)cc2)n1 12610316 MCJZOIYWMZPBJJ-UHFFFAOYSA-N 435.553 5.269 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 12639472 MHAYEKFLTDOTMD-ZDUSSCGKSA-N 437.634 6.041 0 40 IKAB CC(C)(C)[C@@H]1C/C(=C/c2cccs2)c2nc3ccccc3c(C(=O)OCC(N)=O)c2C1 12652813 IAWYOBZMTBVBTD-RTYFKUQISA-N 434.561 5.088 0 40 IKAB Cc1cc(C)c2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 12705026 DBQSZLXYAFTPOM-SFHVURJKSA-N 439.943 5.011 0 40 IKAB COc1cc(CC(=O)Nc2ccccc2SCc2ccsc2)cc(OC)c1OC 12764360 VUMWMMXKMCRZBU-UHFFFAOYSA-N 429.563 5.247 0 40 IKAB O=C(COC(=O)c1ccc(C2SCCS2)cc1)Nc1ccccc1SC(F)F 12819635 XFSGNHAKWFFSNG-UHFFFAOYSA-N 441.546 5.275 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 14396879 XDXXBFLKVDAALH-OAHLLOKOSA-N 440.436 6.108 0 40 IKAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)cc1 15880698 LPANUIXJQDHCOD-UHFFFAOYSA-N 442.972 5.964 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 15947754 DCTIIEMDZAIMCY-NSPYISDASA-N 443.366 6.324 0 40 IKAB COc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@H]2c2ccccc2)cc1Cl 16138863 DBRYZUVTVAFYLT-QHCPKHFHSA-N 440.330 5.930 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1S[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 16805917 SLILXNMJPQWWCE-FQEVSTJZSA-N 436.920 5.017 0 40 IKAB CC(C)c1ccc(NC(=S)NC(=O)c2cccc3c(Br)cccc23)cc1 17095332 MHCBTAUCQUXVPY-UHFFFAOYSA-N 427.367 5.853 0 40 IKAB Clc1ccc(-c2nnc(CSc3nc(-c4ccc(Br)cc4)n[nH]3)o2)cc1 19927903 VJIKPNMCMGWLMA-UHFFFAOYSA-N 448.733 5.230 0 40 IKAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCCCC2 20152262 ITVONCRRAZNMMQ-UHFFFAOYSA-N 431.388 6.316 0 40 IKAB CCOc1ccc2nc(Sc3ccccc3)c(/C=C3/SC(=N)N(C(C)=O)C3=O)cc2c1 21596699 JEHUIBNWFBDABO-JTKXPSIUSA-N 449.557 5.182 0 40 IKAB CC(C)(C)CC(C)(C)NCc1cc(Br)ccc1OCc1ccccc1Cl 22076264 ZCAQRSIHKBCTMJ-UHFFFAOYSA-N 438.837 6.986 0 40 IKAB CCCCCSc1nc(N)c(C(=O)Nc2cccc3ccccc23)cc1C(=O)OCC 22079439 RNBOHQFUSQZWQD-UHFFFAOYSA-N 437.565 5.528 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 25064073 OZNWOUOCTZKPBE-MDWZMJQESA-N 430.895 5.143 0 40 IKAB COc1ccc(CN(C(=O)c2oc3c(C)c(C)ccc3c2C)c2ccccn2)cc1OC 28402916 LWDPNIOTQBXOBG-UHFFFAOYSA-N 430.504 5.617 0 40 IKAB COc1cc(CCC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 32932421 KBSMQWQFGZOAHJ-SFHVURJKSA-N 447.535 5.158 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C3CCCC3)c(C)o2)cc1 32984854 YKRRCDOTDJOTCC-UHFFFAOYSA-N 431.561 6.076 0 40 IKAB COc1cccc(CNC(=O)CSc2nc(-c3ccc(C)cc3)nc3ccccc23)c1 35311605 QTVQUHYHNCPYFF-UHFFFAOYSA-N 429.545 5.022 0 40 IKAB C[C@@H](Sc1ncnc2c1cnn2C)c1nc2cc(Cl)ccc2n1Cc1ccccc1 36397054 QHCBNYLFJVWPFW-CQSZACIVSA-N 434.956 5.268 0 40 IKAB COc1cc(-c2nc3c(sc4nc(C(F)F)cc(C)c43)c(=O)[nH]2)ccc1OC(F)F 36611509 URAHETIGBIUCBR-UHFFFAOYSA-N 439.390 5.056 0 40 IKAB COc1ccc(CCNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 39844470 RZCAHTSMCLTQHE-UHFFFAOYSA-N 448.544 5.146 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2F)cc1 71328034 KTPIDOQQIRFYTD-UHFFFAOYSA-N 427.545 5.314 0 40 IKAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 72285473 UCUDLEVPXNFKND-JWQCQUIFSA-N 431.580 5.077 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1[C@@H](OC(=O)c1coc(-c2ccccc2)n1)C(F)(F)F 72310743 XKNOWOLUMVPHOX-HXUWFJFHSA-N 441.409 5.605 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(Br)c(F)c1 95067966 XDNWLUUSBUJPFP-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB CCC(C)(C)C(=O)[C@H]1[C@@](C)(c2ccccc2)CC(c2ccccc2)=C[C@]1(O)C(C)(C)CC 100451001 JYXYBEIHSGHFQN-AWJLRTIGSA-N 432.648 7.220 0 40 IKAB CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O 102675038 PYFVFXDWBJAACS-NYHFZMIOSA-N 436.899 5.101 0 40 IKAB COc1ccc(CN2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)cc1OC 102723861 XLSCKEUBBMFCCR-UHFFFAOYSA-N 441.940 5.243 0 40 IKAB COc1cc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc(OC)c1OC 102865314 QMBZIZNFBUTWDM-VWLOTQADSA-N 431.513 5.963 0 40 IKAB CCNC(=S)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1 103524820 LWNNTGLJJKCIJE-QHCPKHFHSA-N 435.593 5.856 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 107760607 XGRNLIWATWVWIA-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCN(CC)c1ccc(/N=C2/NC(=O)/C(=C\c3cccc(Br)c3)S2)cc1 110705676 HCOAPXXISCCAIE-QGOAFFKASA-N 430.371 5.187 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)Nc1ccc(Oc2ccccc2)cc1 138781149 ZSQOBGNGSOMZAC-UHFFFAOYSA-N 439.467 6.067 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222891162 NJWUBKDOZJDNNO-UXHICEINSA-N 429.998 5.862 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223092034 XGVZIVCZVUDPRX-BJKOFHAPSA-N 449.645 6.439 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223115279 YUQNMVXFMJJFLK-GOTSBHOMSA-N 447.560 5.345 0 40 IKAB COc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Sc3ccccc3)CC2)cc1 223123103 WHIOBKQTDRIDLX-UHFFFAOYSA-N 446.572 5.337 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223142607 FWRJXQLXGXDOIY-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223302943 DEBSYTVFBDVCKN-DEOSSOPVSA-N 438.612 5.219 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223609544 TUVBYTCPTYHXLK-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223632024 KQJDOIWDXMXHAQ-PMACEKPBSA-N 448.375 5.003 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224058214 BHBMBCWTEZGGEY-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccc(C)cc1 224126124 YLFFBLJEAJSBPI-UHFFFAOYSA-N 429.560 5.678 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccnc1 224157166 KMYSJEWFXNWSCX-DNQXCXABSA-N 425.561 5.061 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224657927 NGWOXTQWOJGRCA-DQEYMECFSA-N 441.556 6.261 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1ccc(Cl)c(Cl)c1 224971423 IDZGHHIGACBDIC-UHFFFAOYSA-N 430.400 6.253 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OCC 225761178 PIFOYYIFPKUPHH-UHFFFAOYSA-N 441.543 6.022 0 40 IKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 225808588 YEEFINPRLCXMNI-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)[C@@H]2O 253499221 KUZBETODCMAEND-SBVMKSPPSA-N 444.562 5.966 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 257240860 HVMJBNQQGAAOHL-HSZRJFAPSA-N 436.555 5.084 0 40 IKAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCOc4cccc(F)c4)C3)nc2)c1 257245909 IRPQNOZASMUSJO-QHCPKHFHSA-N 432.539 5.295 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 408561546 JKXKXYKCYKJBIO-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 408573708 KAHJEUDGAHHSPH-UHFFFAOYSA-N 443.971 6.094 0 40 IKAB CCc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408646776 WJIZTWORJDSGPW-KRWDZBQOSA-N 437.337 5.156 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)cc1Cl 408697549 HPXXAGRPXHIBES-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)cc1 408699893 WTSNOKFUPHWXOX-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C1=O 409054183 HXLOHWUBSPICSZ-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccncc2)c1 409108577 WZIOCWBVXSOGRM-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccccc2)c(C(=O)Nc2ccc(C)c(C)c2)c1C 409120295 YYQKCKYZNCIVEN-UHFFFAOYSA-N 436.533 5.355 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409169751 ZESWHYGWVFGJPN-OYRJNNPGSA-N 442.990 6.567 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 928181 ZDJYKXHRSUOROA-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1c2ccccc2CCc2ccccc21 928216 YOKQLXOXDIWKFK-UHFFFAOYSA-N 431.492 5.431 0 40 IKAB COc1cc(C(=O)O[C@@H](c2ccccc2)c2nccc3ccccc23)cc(OC)c1OC 944830 AJJHWJZAMWDEKK-DEOSSOPVSA-N 429.472 5.207 0 40 IKAB O=C1c2ccccc2N[C@@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccccc1 1100947 SHBSECZDPRPYCH-MUUNZHRXSA-N 449.485 5.298 0 40 IKAB COc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccc1 1221446 PYMYETNOPHZFMK-SFHVURJKSA-N 444.560 5.371 0 40 IKAB COc1ccc([C@H](OC(=O)c2ccc(OC)c(OC)c2)c2nccc3ccccc23)cc1 1448898 KJYBZIRQXKIDEU-VWLOTQADSA-N 429.472 5.207 0 40 IKAB biogenic COc1ccc(-c2coc3c4c(c5c(c3c2=O)OC(C)(C)CC5)OC(C)(C)C=C4)cc1OC 1583707 MIELJMQQHAVDFQ-UHFFFAOYSA-N 448.515 5.765 0 40 IKAB CCCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 1823282 FOOUCMPIKCEWAX-UHFFFAOYSA-N 444.644 6.413 0 40 IKAB COc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)cc1 1833674 JQQKIVJLJJPRPV-AREMUKBSSA-N 440.543 6.650 0 40 IKAB CSc1nc(NCc2ccccc2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2446760 AJOBYLWOFCCURM-UHFFFAOYSA-N 444.585 6.322 0 40 IKAB CCCCCCC(=O)N[C@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 2678319 GPHGLGGKFMGFHH-MRXNPFEDSA-N 438.852 5.373 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@@H](C)C2 2737692 SMEUZFFGPFBJIE-GFCCVEGCSA-N 436.371 5.455 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)c2c3c(sc2n1)CCCC3 3270678 SOUFCTPSBUQTJF-UHFFFAOYSA-N 438.405 5.916 0 40 IKAB C[C@@H](OC(=O)COc1cccc2ccccc12)C(=O)Nc1ccc(Oc2ccccc2)cc1 3329355 HPUHSVUKEMRUDV-LJQANCHMSA-N 441.483 5.581 0 40 IKAB Clc1cc(Br)ccc1OCc1nnc(-c2ccccc2Br)o1 3445028 CCRAUYBXAJMOLH-UHFFFAOYSA-N 444.510 5.494 0 40 IKAB COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1OC 4073366 KKSMWVZGZWUOSG-IZZNHLLZSA-N 433.633 5.700 0 40 IKAB biogenic CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12 8439229 CWAVLVMRPKQQPS-UHFFFAOYSA-N 429.538 5.451 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)n2-c2ccccc2)cc1 8788302 VVSNGOAXZXQUAV-KRWDZBQOSA-N 439.544 5.333 0 40 IKAB COc1ccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)cc1 8909716 VULHJCZLNLTHHJ-UHFFFAOYSA-N 441.556 5.476 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(F)c(Cl)c3)ccc2Oc2ccccc21 8961111 REVJVGXATURBIZ-UHFFFAOYSA-N 446.887 5.052 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(OCCOc2ccccc2)cc1 9095019 OMADAYMDGYTAOU-UHFFFAOYSA-N 444.531 5.023 0 40 IKAB CC1CCN(CC(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)CC1 9130473 AUISXRTTWHCFSB-UHFFFAOYSA-N 445.346 5.437 0 40 IKAB COc1cc(NC(=O)c2ccccc2SCc2ccccc2F)c(OC)cc1Cl 9222900 XRWDQKUGQBVFCI-UHFFFAOYSA-N 431.916 6.041 0 40 IKAB COc1cc2ccccc2cc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 9289110 QRNFWMKKVDXEHI-UHFFFAOYSA-N 427.283 6.772 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc12 9541562 STYJWJLQRJEFCO-UHFFFAOYSA-N 445.569 6.070 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3cccs3)N=C2SCc2ccccn2)cc1Cl 9671857 ASSDDQKBOCBEIM-LDADJPATSA-N 441.965 5.482 0 40 IKAB Cc1oc2cc(OCC(=O)Nc3ccc4c(c3)CCC4)ccc2c(=O)c1-c1ccccc1 9789867 IUDKZXPGTHVSIO-UHFFFAOYSA-N 425.484 5.275 0 40 IKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 9822898 LQSAMNNEXXHOBP-LJQANCHMSA-N 444.560 5.185 0 40 IKAB CC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 9908164 KLCAIKQSTXXJTF-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120140 HIMUPCFHOWTOQE-AWEZNQCLSA-N 441.314 6.131 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1Cl 10325406 ZGJUHARLSVCRAG-INIZCTEOSA-N 440.952 5.041 0 40 IKAB COc1ccc(NC(=O)Cc2csc(SCC(=O)c3cccs3)n2)cc1Cl 11694992 ZYTFQZWHBYAKET-UHFFFAOYSA-N 438.983 5.023 0 40 IKAB c1ccc(COc2cccc([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN34)c2)cc1 12403959 NROMPVSVWHCGPF-PXJZQJOASA-N 432.523 6.508 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2cccnc2Cl)cc1 12409942 SLIIDLKGFDCFAH-UHFFFAOYSA-N 445.972 5.128 0 40 IKAB C[C@H]1S[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2ccccc2)C1=O 12416973 SLPJSAAXEJANRA-VOIUYBSRSA-N 434.948 5.208 0 40 IKAB C[C@H]1S[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccccc2)C1=O 12417005 BCXVBOSDFJJECZ-VOIUYBSRSA-N 434.948 5.208 0 40 IKAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)C(=O)C(C)(C)O2 12876080 LKGSQMAYMUBXLN-UHFFFAOYSA-N 449.378 5.616 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 13040833 IZZCKGNTPOXILW-FQEVSTJZSA-N 433.533 5.457 0 40 IKAB COc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13498402 BQAJTBBGABHSAC-VWLOTQADSA-N 448.588 5.133 0 40 IKAB CN(C(=O)Oc1cc2ccccc2cc1OC(=O)N(C)c1ccccc1)c1ccccc1 13880077 YDICPOCJAZPXJO-UHFFFAOYSA-N 426.472 6.110 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 13942740 FFAPZPDSURTCFJ-LBPRGKRZSA-N 434.841 6.177 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 14155203 CKRGVFQVOTXCPD-UHFFFAOYSA-N 436.577 5.481 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)cc1Cl 14245120 KUANRKZEUKPKHT-IBGZPJMESA-N 439.924 6.072 0 40 IKAB COc1ccc(Cl)cc1CN(C)Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 15551261 NVQICYRIHTVZJG-UHFFFAOYSA-N 443.931 5.085 0 40 IKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)c(O)c(OC)c2)N3)C1 15945415 PFOWIHQBYOLWEJ-HUTHGQBESA-N 437.359 5.169 0 40 IKAB CCCCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 16044040 RIYZGVZKORHVKM-LSDHHAIUSA-N 438.351 5.595 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 16742086 VUPBFAVRJCVLST-XMMPIXPASA-N 440.499 5.425 0 40 IKAB CC(=O)N1N=C(c2ccc(Cl)c(Cl)c2)Sc2c1nc(-c1ccccc1)n2C(C)=O 16777599 GXOSWJJYWBJMEF-UHFFFAOYSA-N 445.331 5.337 0 40 IKAB COP(=O)(OC)c1nc(C(c2ccccc2)c2ccccc2)oc1NCc1ccccc1 16806638 NQBHBDDGERHPDW-UHFFFAOYSA-N 448.459 5.578 0 40 IKAB Cc1cc(O)c(-c2[nH]nc3c2[C@H](c2ccccc2F)N(Cc2cccnc2)C3=O)cc1Cl 17027211 CUUGTDRTVUCLIM-QHCPKHFHSA-N 448.885 5.024 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)s1 17095558 BIAGAHGFHRCSSY-UHFFFAOYSA-N 427.573 5.230 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Br)cc1 19639211 LVJGRCWYGYAFSR-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 19641132 SLXMVYJIESBXKQ-SFHVURJKSA-N 444.535 5.350 0 40 IKAB COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 22076751 KWGKFIHTBQQCHO-UHFFFAOYSA-N 446.772 5.980 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 24278619 AEQVHOKQGOWWQF-LADGPHEKSA-N 448.613 5.336 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(SCc2ccccc2Cl)ncc1Cl 27664156 TZLOQTAWULRVNU-UHFFFAOYSA-N 440.355 6.481 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 27789100 WEHRHWUYQFFKLH-PKOBYXMFSA-N 445.950 5.828 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nc3ccccc3c2=O)cc1F 29740203 QVHWFWPSWCWXFC-CQSZACIVSA-N 448.479 5.330 0 40 IKAB Cc1sc2ncn(Cc3nc4cc(Cl)ccc4n3Cc3ccccc3)c(=O)c2c1C 31628164 KRXRISSLBSHTPY-UHFFFAOYSA-N 434.952 5.175 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(C(F)(F)F)c1 32091946 HKFSEVXCUHOLRE-INIZCTEOSA-N 448.832 5.702 0 40 IKAB O=C(Cn1ccc2cc(Br)ccc21)Nc1cc(C(F)(F)F)ccc1Cl 32124643 HOBPKAXSNLFXMW-UHFFFAOYSA-N 431.639 5.715 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccc(F)cc1 32815388 KGOZMGSABWIURJ-XMMPIXPASA-N 439.490 5.340 0 40 IKAB COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3cccc(Cl)c3)c2c1=O 35400666 DBVWTZVVLWWZBU-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB CCCCc1ccc(NC(=O)c2c(C)oc3ncn(Cc4ccc(F)cc4)c(=O)c23)cc1 35672102 QAXSWOCFCUEXQH-UHFFFAOYSA-N 433.483 5.080 0 40 IKAB Cc1cccc(Cn2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3ccccc32)c1 41076829 UAGVTEVUEYAILV-UHFFFAOYSA-N 429.589 6.247 0 40 IKAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44851439 DRTUCZBONHOELV-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc(OCCSc2ccccc2)cc1 44885547 JOOUVZMTZQIVKQ-UHFFFAOYSA-N 428.351 5.873 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 44899920 YRYVSBRJCUXGEH-HXUWFJFHSA-N 428.941 5.022 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@@H](C(N)=O)C(SCc2ccccc2)=N1 50012175 YHWUABHYGKGMLT-QFIPXVFZSA-N 447.604 5.297 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCC[C@H]1C1CCCCC1 69982744 PEWRCCLHVQVEFF-WMZOPIPTSA-N 426.504 5.080 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)N(Cc1cccc2ccccc12)C1CCCC1 72235905 XEOYIRRCPCICBU-UHFFFAOYSA-N 427.573 5.872 0 40 IKAB O=C(CCc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359468 YADKKUPZYPOKDS-UHFFFAOYSA-N 439.481 5.501 0 40 IKAB CCN(CC)CCOc1ccc(/C(=C\c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 77287047 BZAXUXUBRPKOSR-XHPQRKPJSA-N 440.414 7.303 0 40 IKAB in-vitro CC1=C[C@@H]2C[C@@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 100390384 SFPYDOIXKBOBNZ-OYYPCOLYSA-N 443.543 5.043 0 40 IKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 102214852 JQJAKBIMFWMGBM-QLFBSQMISA-N 428.579 5.123 0 40 IKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=C(O)C1 102864611 JWIFDSHQTVANIX-RUZDIDTESA-N 446.635 7.859 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cc(C)ccc2C)cc1 107947991 WPAZUALWQZNEPJ-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 169683108 USUKRHRKFGRIRR-GFQSEFKGSA-N 430.858 5.193 0 40 IKAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)cc3)C2=O)cc1 210812936 WBBPBCVFLTZFIR-PXLXIMEGSA-N 444.512 5.037 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 219837665 MNTFYRRCTBXNHB-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960358 QFZFEBWDRJEUBF-UHFFFAOYSA-N 440.631 6.518 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 222459677 CFCDPCGXEJKCRZ-DEOSSOPVSA-N 440.653 5.177 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)cc1C 223141766 ZSHUENMIFJQSRG-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 223145081 JODOPCKWFXEJMK-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223253812 MIDGVGNXEAWZHG-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 223361467 GHCQNKGNBOXQNI-VXKWHMMOSA-N 435.936 5.761 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)cc1Cl 223364986 WKBOKCVZDCOMJJ-UHFFFAOYSA-N 427.932 5.358 0 40 IKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223492720 XWAQTBDNRWQDHN-MHZLTWQESA-N 446.566 5.445 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223807298 MOOICFSLTFPDBP-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB O=C(NCCCc1cccc2ccccc12)c1cccc(NS(=O)(=O)c2ccccc2)c1 224026655 OQQUNNNWOCHLSL-UHFFFAOYSA-N 444.556 5.003 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)c(OC)cc1Cl 224093119 RSDYJYOCBHHNLK-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224183795 QANXWOFEOWTSNW-UHFFFAOYSA-N 447.531 5.611 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224210917 VVHPKVHDWZSQGC-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1cccc(OCc2ccccc2Cl)c1 224526630 CAVQIDPOLCELLR-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225543935 UATDRISEFDVWSI-RCZVLFRGSA-N 438.612 5.185 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225658983 UOXNGGHHICMEHD-GOSISDBHSA-N 433.017 5.012 0 40 IKAB CS(=O)(=O)Nc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1Cl 225971177 HYTOYBJTNXLIRD-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2NC[C@@H](O)COc1ccccc1 245232363 ULILXULMDVDQAM-WPLMHNJBSA-N 425.657 5.817 0 40 IKAB CCOc1ccc(COC)cc1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257219147 DFUMHQMTJLBJAV-XMMPIXPASA-N 448.582 5.736 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408562138 NDPHOPNSZSTUGW-RWEWTDSWSA-N 447.431 6.854 0 40 IKAB COc1ccc2ccccc2c1/C=C(\Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)O 408631725 BFFSVHPMGVUZKC-UNOMPAQXSA-N 438.892 5.770 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)c(Br)c(C)c2)CC1=O 408637854 AKQHDJVWVFXXHW-GOSISDBHSA-N 443.385 5.182 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1 408640472 IBLOLFCZUSSJTK-SFHVURJKSA-N 434.923 5.741 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1Cl 408697342 GLSHWFWBRKVJMM-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccccc1Cl 409137492 XSTNBYVEYRXICM-YVLHZVERSA-N 426.299 6.074 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3c(CC)cccc23)C1=O 409139654 CMQXNWQXXXJVKP-BKUYFWCQSA-N 438.980 6.352 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OCC)c2)C1=O 409238810 MANNRIKPJQYIQT-CPNJWEJPSA-N 431.941 5.764 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)cc1 409410519 NPCIPZFOGYTNFJ-UHFFFAOYSA-N 439.580 7.119 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(CSc3ccccc3)cc2C)c(OC)c1OC 409411257 VIUPHGWANYWMNE-NTCAYCPXSA-N 449.572 5.965 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342615 MNTUGVXMZJPIGO-UHFFFAOYSA-N 429.545 5.350 0 40 IKAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)ccc2N1C(=O)C1CC1 1366302 DANKGGCXHLOLCC-ZDUSSCGKSA-N 437.952 5.403 0 40 IKAB CC(C)c1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1 1790010 SAPUTQPYARYBJO-UHFFFAOYSA-N 436.305 6.746 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)c(C)c1 1861134 SCSRTSKWIUPPCC-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccccc1 2177267 UCZOCOGAZPEFKZ-AREMUKBSSA-N 440.930 6.690 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 2183484 WDKDDECAOSRTJM-UHFFFAOYSA-N 448.613 5.899 0 40 IKAB COc1ccc(NC(=O)c2c(NC(=O)c3cccc(C)c3)sc3c2CCCCC3)cc1 2186032 WMCRCRFJLBWVAB-UHFFFAOYSA-N 434.561 5.839 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1C 2761631 QRMFBZAHLUHPKF-UHFFFAOYSA-N 435.321 5.804 0 40 IKAB N=C(N[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccccc1 3142493 YGBZLIIMICLGLF-OAHLLOKOSA-N 439.557 5.035 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 8399284 WDSQQEISQQKQJS-LPYMAVHISA-N 447.512 5.562 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(C)c1 8499346 DCXZSCFRBFVPAR-QHCPKHFHSA-N 428.576 5.005 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3OC)cc2c1 8677445 BZVXZSIPHGKYLJ-UHFFFAOYSA-N 441.531 5.333 0 40 IKAB aggregator CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(C)Cc2ccc(Cl)s2)cs1 8753210 JSEZWJHKEMUZNY-DHZHZOJOSA-N 431.970 5.214 0 40 IKAB COc1cc([C@@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)ccc1OCc1ccccc1 8843067 IWLTWUARNDWMFZ-DEOSSOPVSA-N 436.895 5.167 0 40 IKAB COc1cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc(OC)c1OC 9010465 KYJKMHZXIOPMND-UHFFFAOYSA-N 437.883 5.161 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccccc1 9056916 WAEJZPAUVOQHMY-UHFFFAOYSA-N 430.577 5.076 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSc1ccccc1C)CC2 9223419 QRJCDGVYYCVIOU-DEOSSOPVSA-N 439.602 5.340 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2sc(-c3ccccc3)cc2c(=O)n1C 9318175 HDTOBSASKNINQN-UHFFFAOYSA-N 436.558 5.166 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 9355989 OERZAMNOVGWBPD-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB CC(C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccccc1Cl 9390887 MOAXUDCZOVRBPT-UHFFFAOYSA-N 445.032 5.254 0 40 IKAB CSc1ccc([C@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 9419822 LNEYZFDJCXEEOF-LJQANCHMSA-N 444.423 6.622 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c1 9587656 KSUANBVBNUGIMF-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(Br)cc2)C(c2ccccc2)=N1 9599240 JXJUXNWNKLSSBC-HXUWFJFHSA-N 430.371 5.148 0 40 IKAB CCOc1ccc(N(C(=O)[C@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 9790537 JGKMBUHRLLGZNG-OAQYLSRUSA-N 432.501 5.200 0 40 IKAB O=C(N[C@H](Cc1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 10214356 JKWXEDVATNAXFY-XMMPIXPASA-N 425.532 5.144 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)C4(c5ccccc5)CCCC4)c3)nn12 10372809 HRVZPUZQXIGTSM-UHFFFAOYSA-N 431.565 5.174 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 12111580 NLUAEVJTIMXVNM-WZONZLPQSA-N 429.988 5.613 0 40 IKAB CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN34)ccc21 12180935 SGBUYXOKZMIPTR-DGPALRBDSA-N 443.550 7.057 0 40 IKAB CC(C)c1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12649548 FFVKZRJEXHQYIT-QFIPXVFZSA-N 446.938 5.784 0 40 IKAB CCCCn1c(S[C@@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 12912756 VOBVVYMIZOUQCL-KRWDZBQOSA-N 449.580 5.966 0 40 IKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1ccc(Cl)cc1 12956178 CFPLUZFXLKYSLQ-MDWZMJQESA-N 430.306 6.041 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 13025560 DIPYRSPJOQZFNM-QHCPKHFHSA-N 436.577 5.135 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)/C=C/c2cccc(F)c2)c2c[nH]c3ccccc23)cc1 13096160 IXBXYMZCCGWCHC-RLMNYEENSA-N 427.523 5.335 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc(Cl)c1Cl 13371437 QDTJIJPCKBHORW-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CC(=O)N(c1nc(CSc2nnc3n2CCCCC3)cs1)c1cccc(C)c1C 14164990 LBHUZUYZBWTKBZ-UHFFFAOYSA-N 427.599 5.055 0 40 IKAB O=C(Nc1ccc(I)cc1)c1cccc(OCc2ccccc2)c1 14796021 SQHLFSKQUOKFSF-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)cc1OC 15729517 GIBGPHNWAMTTHH-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic O=S(=O)(Nc1ccccc1Cl)c1cccc(NC(=S)Nc2ccccc2F)c1 16215561 ZQASETDJVGXPHI-UHFFFAOYSA-N 435.933 5.089 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)c1ccc(Cl)c(Cl)c1Cl 16755623 GNZCGHRMGYSMOH-UHFFFAOYSA-N 443.808 6.505 0 40 IKAB O=C(CN(C1=NCCCCC1)c1cccc(C(F)(F)F)c1)c1ccc(OC(F)F)cc1 16768551 SBSWXKDEGSQEDU-UHFFFAOYSA-N 440.412 5.969 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1)CCCC2 19690110 ALKTYUXQCSUIHF-OAQYLSRUSA-N 448.542 5.106 0 40 IKAB COc1cccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)c1 19882388 OZTXTSDCHPTTMG-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20042993 XZJZBLMJMBBTNC-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1C 20152293 LBHYDCXINMZIQS-UHFFFAOYSA-N 446.528 5.036 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)cc1 22151839 SYKCLMIWUAMJRJ-UHFFFAOYSA-N 448.617 6.018 0 40 IKAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccccc3F)o2)s1 22608468 PIIBAIFRJZVNTO-VBKFSLOCSA-N 425.872 5.926 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)ccc1Cl 25899643 ZJELGTUFRPLFTO-QHCPKHFHSA-N 436.964 5.316 0 40 IKAB CC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccccc3Br)c2)cc1 27260887 GTRAFLBYLIAURX-UHFFFAOYSA-N 437.293 5.156 0 40 IKAB CCCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 27526091 BTGKNQKQLMEYAX-UHFFFAOYSA-N 434.942 7.186 0 40 IKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1ccc(C(C)(C)C)cc1 27921437 RHZQJIZUZGIWDC-UHFFFAOYSA-N 440.385 5.861 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)cc1 30853321 UJXMUQGOKLSCCO-LJQANCHMSA-N 434.374 5.402 0 40 IKAB COc1cc2c(cc1OC)C(=O)[C@@H](Sc1nnc(-c3ccccc3)n1C1CCCCC1)C2 32101324 YGIXLGAFUMJIGE-QFIPXVFZSA-N 449.576 5.367 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)c1 32114609 HENGPRJMRYBIQB-UHFFFAOYSA-N 441.940 5.321 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)ccc1Cl 32114638 DUWYEDNPHJGYNA-UHFFFAOYSA-N 448.906 5.973 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cccnc2Sc2ccccc2)c1)c1ccncc1 32451815 VKMWWQRRQSQEIZ-UHFFFAOYSA-N 426.501 5.132 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3)sc2NC(=O)c2ccco2)cc1 32624658 PHSJVPCTWROTTE-UHFFFAOYSA-N 437.908 5.870 0 40 IKAB O=c1c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc2n1CCc1ccccc1 32985533 BXPRMORNHFEXEA-UHFFFAOYSA-N 446.963 5.233 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 33735220 GCGZTFHBMTYUNK-UHFFFAOYSA-N 446.060 5.750 0 40 IKAB C=CCOc1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 35647672 ZXQUKNCZKGSWDN-LICLKQGHSA-N 438.858 5.815 0 40 IKAB CC(C)(NC(=O)COc1cccc(NC(=O)c2ccco2)c1)c1c(Cl)cccc1Cl 58331313 YBQWHUYNXPUJGX-UHFFFAOYSA-N 447.318 5.269 0 40 IKAB Cc1ccccc1OCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 59182082 RMKPJRBVUZDHDQ-UHFFFAOYSA-N 448.613 5.806 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)ccc1C)c1ccccc1 67216896 MRPYULBWJLKLPV-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 72372645 DYQKKOYBEXURES-RUZDIDTESA-N 439.563 5.615 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4ccc(Cl)cc4[nH]3)n2)n1 72375491 CQSUJTZWWNQCDQ-NRFANRHFSA-N 446.942 5.344 0 40 IKAB O=C(Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(Cl)cc1 100490172 GNXJPBMQIYRILC-QKBNKGEKSA-N 442.002 7.382 0 40 IKAB C[C@H]1C[C@@H](C)CN([C@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 102894185 NSDJYQKFIXYEHY-QWQRMKEZSA-N 442.972 5.477 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@@H]21 102987144 JCMRXPLXUHWJKN-USXZWKKNSA-N 436.599 6.622 0 40 IKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 104052477 ZLWQGNABQLEYHG-SHQCIBLASA-N 448.570 5.296 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764053 FANUASHHBXVELC-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl 222941375 NOGJINAOFWGBQI-VXKWHMMOSA-N 425.985 5.932 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2OC)cc1C 223640148 RASWFHFBTFMRTA-UHFFFAOYSA-N 433.913 5.259 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 223729952 TZGJOIABHSBGSF-HXUWFJFHSA-N 429.004 5.045 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223960463 NOFKITJUDFEZCI-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 223993460 NABYBLWTXOMJRJ-NHCUHLMSSA-N 436.669 5.752 0 40 IKAB Cc1ccsc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224483831 PORLTGKOEPMIDJ-IAGOWNOFSA-N 430.396 5.391 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)[nH]1 224627228 VNORILRAVPJSJC-JWQCQUIFSA-N 440.572 5.996 0 40 IKAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)c1 224731120 GEEUMZUWILFNJZ-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 224799446 XTNPJUZXQPMNDJ-IBGZPJMESA-N 443.031 5.514 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C)c3C)o2)c(OC)c1 224931141 MAWPQHBMHMHOQJ-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1Cl 224962317 SAPUONLHNVYRQZ-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OCC 225060090 UTHVVFPELJHNIO-UHFFFAOYSA-N 428.381 5.454 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225132462 LOIUXRGHKAKIGI-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225557184 CLVMUPOEHAGMPM-PGRDOPGGSA-N 447.044 5.463 0 40 IKAB S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCN(Cc2ccccc2)CC1 408571951 DMRPHJBOIFNADS-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB CCn1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc21 408635334 ZLRXIBILACTTFU-WQRHYEAKSA-N 425.897 5.582 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1Cl 408696207 XRWIZKCBCAJDOY-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409110648 FRPRUUINMCJIMP-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CC1CCCCC1 409124645 BUTLZIMXTBZGBV-ODLFYWEKSA-N 436.360 6.870 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)Nc1cccc(Cl)c1 409163126 MCYLSVIOLAQSRL-UNOMPAQXSA-N 438.892 5.275 0 40 IKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 678357 GCWTUFJNQKYKFO-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nn(-c3cccc(C(F)(F)F)c3)nc2c1 722641 JYHJSDBVGWMNHP-UHFFFAOYSA-N 446.816 5.354 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2C(=O)N2CCCCC2)cc1 841976 OENIGIMBPRQHEN-UHFFFAOYSA-N 448.588 5.017 0 40 IKAB Cc1[nH]c2ccc(Br)cc2c1CCNS(=O)(=O)c1ccc(C(C)(C)C)cc1 1072142 MCLKKSWVWHDIPJ-UHFFFAOYSA-N 449.414 5.057 0 40 IKAB CC1(C)CCCN(CCC(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@]3(C)C(=O)CC[C@@H]23)C1 2129878 KDYPCXIDBCQDOZ-DFIMXKNXSA-N 437.624 5.529 0 40 IKAB biogenic Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 2256142 LVQQGWHHVQFJNP-GOTSBHOMSA-N 430.870 5.283 0 40 IKAB COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O 2380924 CNINXXSKMAVABP-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(F)cc1)C(=O)C2 2417455 OGNBNOOXHYJIFG-VWLOTQADSA-N 439.914 5.955 0 40 IKAB COc1ccc(OCCC(=O)O[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 3304077 IQTQMHPOWUWBRQ-VWLOTQADSA-N 433.504 5.004 0 40 IKAB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)N1CCc2ccccc2C1 3325293 SBLNOVJRPAWCTB-INIZCTEOSA-N 431.586 5.424 0 40 IKAB CCN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(-c2ccc(C)cc2C)c1=S 3332061 LHNIORZVWLEEII-UHFFFAOYSA-N 429.593 5.562 0 40 IKAB C[C@H](OC(=O)CCc1c[nH]c2ccccc12)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3415381 QNLFARYQHKYEEQ-LBPRGKRZSA-N 438.833 5.343 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccc(Cl)cc1Cl 3476918 XDVXSYJZGGRYPV-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1ccc2ccccc2c1 8497909 XGKPLMKCZZGUPV-MSVKLTOBSA-N 435.910 5.587 0 40 IKAB O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1cccs1 8673703 QQOUGIUUEPIZCK-UHFFFAOYSA-N 447.006 6.435 0 40 IKAB aggregator COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 8755666 RJTXHGHTYAGKQZ-SFHVURJKSA-N 431.923 5.267 0 40 IKAB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 9085835 SLGJSGHSAKMINS-LMSSTIIKSA-N 440.587 7.231 0 40 IKAB CN1C(=S)N(c2ccccc2)[C@H](N(O)C(=O)Nc2ccc(Cl)c(Cl)c2)C1(C)C 9124721 AWZPWJQLNRBYOS-MRXNPFEDSA-N 439.368 5.058 0 40 IKAB CCc1ccc(-c2nc(C)c(C(=O)N3CCc4cc5c(cc4[C@H]3C)OCCCO5)s2)cc1 9129019 NYOCOCUKAROHCN-QGZVFWFLSA-N 448.588 5.602 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(Br)c1 9288314 JWOHWPIPWFPXES-UHFFFAOYSA-N 440.337 6.382 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccccc1)N2 9346209 OQQJQJAWBFNHGR-QBCCSFBISA-N 439.494 5.215 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)n2C(C)C)cc1 9377549 NIAJWHGPDQUYRF-ASXFNGKXSA-N 439.625 5.801 0 40 IKAB COc1cccc(Oc2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1 9409986 BYERSKMHLPMTTO-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)nnc2c1-c1ccc(Cl)cc1 9484065 LJNCFABOVVQKAJ-UHFFFAOYSA-N 445.832 5.333 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3ccc(Br)cc3)nc12 9805815 LBXBSEIWMSBBAH-UHFFFAOYSA-N 428.333 6.436 0 40 IKAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)Nc1ccc(-n2cnc3ccccc32)cc1 10427472 BAFKBOBEXACZNU-NRFANRHFSA-N 448.935 5.121 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cc(Br)ccc1Cl 11667661 NCQREEFCEPMARK-UHFFFAOYSA-N 440.775 5.499 0 40 IKAB Cc1ccc(-n2nc(C)cc2OS(=O)(=O)c2cc(Cl)c(Cl)cc2Cl)cc1 11851866 VFIATPVAHPWGTA-UHFFFAOYSA-N 431.728 5.217 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C 12601563 ZKRJNIUACUIGON-CFGKVWFZSA-N 439.943 5.389 0 40 IKAB Cc1cccnc1-n1c(SCc2nc(-c3ccccc3)oc2C)nc2ccccc2c1=O 12646050 NCIZNNHZTHOGGP-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1nc(-c2cc(F)ccc2F)cs1 12678940 LLHDXHLLTXDPLJ-UHFFFAOYSA-N 448.451 5.008 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc(Br)cc1 12738641 QSSYHWQVVUNXLC-LBPRGKRZSA-N 448.411 5.391 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc2c1C 12896272 XSGKUPIEFCYGQS-UHFFFAOYSA-N 443.455 5.060 0 40 IKAB biogenic CN(C)c1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)n1 12949657 PQGZBLSUWPKWGY-UHFFFAOYSA-N 436.433 6.434 0 40 IKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)cc1Cl 13039656 WKMUUZGGWLPBFK-VWLOTQADSA-N 449.982 5.516 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)n1Cc1ccccc1 13127941 VMBWCFWYEABVGJ-UHFFFAOYSA-N 438.578 5.185 0 40 IKAB CC(C)c1nc(SCC(=O)Nc2ccc(C(=O)O)cc2)c2c3c(sc2n1)CCCC3 13502024 BLRHIRFXVFTEHE-UHFFFAOYSA-N 441.578 5.123 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCc2ccc(C)cc2)cc1Cl 13609524 XAUUVHILFADULA-UHFFFAOYSA-N 432.907 5.076 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2OC)cc1 13811210 QGTKQVVCTSUJMK-UHFFFAOYSA-N 444.531 5.248 0 40 IKAB O=C(NC(=S)Nc1ccccc1OC(F)F)c1sc2cc(Cl)ccc2c1Cl 14271099 BFLMIHVXCCAOFY-UHFFFAOYSA-N 447.315 5.936 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 14831535 LZGTYIKMXRNNOQ-UHFFFAOYSA-N 431.989 5.503 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCCC3)n2Cc2ccccc2)cc1 15910681 MVSWGLPUMBNIQC-UHFFFAOYSA-N 448.636 5.396 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)cc1 16161946 VTZQVFXEUHMHRS-PZDOZLBDSA-N 445.371 6.415 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196313 JAXOZZBUABIOQW-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2ccccc2OCC(=O)c2ccc(Cl)cc2)cc1 16678541 HBTLYUKGROHPGG-UHFFFAOYSA-N 436.939 5.700 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNC12CC3CC(CC(C3)C1)C2 16688064 URXBFYVJLAWLTD-UHFFFAOYSA-N 443.223 5.669 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(OC)c4)ccc3o2)cc1 16692045 VIMOBHQUPAOOHF-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 16789081 AHRWRSQZIXEENF-KRWDZBQOSA-N 436.625 6.024 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12 16912840 YWLSQMFDDAYBMQ-FQEVSTJZSA-N 436.555 5.723 0 40 IKAB COc1ccc(-c2nn(C3CCCC3)c(-c3ccc(OC)cc3)c2Br)cc1 17095321 UKQHXKQOKLVGCJ-UHFFFAOYSA-N 427.342 6.112 0 40 IKAB Cc1cnccc1C(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19239420 BHHYXXAVOSAUQH-CQSZACIVSA-N 432.446 5.088 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)CCCC(=O)O 19639868 RNGAFBWXEPNWMH-UHFFFAOYSA-N 444.336 5.481 0 40 IKAB Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccc(F)cc4CC[C@@H]3C)CC2)nn1 22493861 ZAHHDBCPDGKSDJ-IBGZPJMESA-N 444.554 5.175 0 40 IKAB CCCOc1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 27744611 RIRXSADSBLSONG-XMMPIXPASA-N 428.532 5.527 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)cc1C 32116443 DYOKHJOOSZTSTL-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)n2)cc1 32623858 NVZCRYYUBPUDEM-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB Cc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c(C)n1-c1ccc(C(C)C)cc1 33546426 NWYOLDGITLDLGR-LPYMAVHISA-N 431.492 5.313 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)cc1Cl 33792464 MMUUOWAYHPOGDQ-UHFFFAOYSA-N 444.701 6.673 0 40 IKAB CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(Cl)c1O[C@@H](C)CC 35302314 KPMGEFWRZFAHDF-WFSQQTBHSA-N 446.887 5.011 0 40 IKAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccc(Cl)cc3Cl)c12 39556466 XOQSIBXURZSRQT-OCKHKDLRSA-N 444.387 5.246 0 40 IKAB CCOc1ccc(-c2nc(CSCc3nnc(-c4ccc(F)cc4)o3)cs2)cc1 40067401 GIMHKSKSXQIQAU-UHFFFAOYSA-N 427.526 5.831 0 40 IKAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 40086080 UNTCFCUJSAMAJD-UZLBHIALSA-N 431.552 5.016 0 40 IKAB CCOC(=O)c1cc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)ccc1Cl 44939557 MNWRMWDVXNKXFN-INIZCTEOSA-N 435.351 5.021 0 40 IKAB COc1cccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)c1 46012322 QTMMLFKEUGLWND-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3ccc(OCc4nc(C5CC5)cs4)cc3)c2)cs1 56907820 WHKAINIJPKTBSY-UHFFFAOYSA-N 447.585 6.284 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)n[nH]2)c(OC)c1 57413094 DNEXYQITWAACHI-UHFFFAOYSA-N 425.794 5.018 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1C(F)(F)F 58828117 NMAJMJZZANGFHG-UHFFFAOYSA-N 438.837 5.853 0 40 IKAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 59795501 QUVRWQSCBFJMRA-UHFFFAOYSA-N 448.979 5.305 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccc(Br)cc1F)N1CCCC1 64472007 PVZAHQSSBSVSGB-UHFFFAOYSA-N 448.723 5.769 0 40 IKAB COc1cccc(Cn2c(SCc3cccc(C)c3)nc3c(oc4ccccc43)c2=O)c1 67259825 USPKACFOFMTJMS-UHFFFAOYSA-N 442.540 5.800 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cccc2nccnc12 72314540 CEMLVBJBRKJDJJ-QFIPXVFZSA-N 443.963 5.831 0 40 IKAB CCN(CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1)c1ccccc1 96398815 WYPUQCMXCOJEKG-YLARSBRISA-N 449.598 6.336 0 40 IKAB Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 102705189 YWKQZWIISXPLLT-DGIUVDQPSA-N 443.568 6.133 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)Nc1cc(Cl)ccc1Cl 216050392 NZJVMFJBQXGSAU-UHFFFAOYSA-N 448.162 5.816 0 40 IKAB CCOc1ccccc1CCCNC(=O)COc1ccc2ccccc2c1Br 218905719 IUZFBIAMQTVMGW-UHFFFAOYSA-N 442.353 5.129 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(OCc3ccccc3Cl)cc1)CC(C)(C)O2 218991446 HLRXYOSZKMBXQK-HSZRJFAPSA-N 435.951 6.260 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 222651875 CQFXPFNOQGFEGK-VWLOTQADSA-N 434.555 5.244 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 222813233 ZQWLAPTYXSFWKT-SFHVURJKSA-N 447.044 5.295 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222983329 IVDBAFDMPYNTTF-NHCUHLMSSA-N 446.403 6.421 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1)c1ccc2c(c1)CCCC2 223020484 MCECJEVOPVFMML-CSVFCKANSA-N 425.572 6.382 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 223236948 VKZFGDJGCZXJGE-SFHVURJKSA-N 435.951 6.409 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223313505 KOLAZIWITOIXAJ-SFHVURJKSA-N 449.422 5.568 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 223344590 ZAONLCAOCBYFMI-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223813279 YTCFQLNBWPOQMM-LJQANCHMSA-N 426.988 5.057 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCC(Cc2ccccc2)CC1 224927396 SOGUHDMGQYTYQP-UHFFFAOYSA-N 440.518 6.243 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225136990 YIMMAZNPKNXPSP-OALUTQOASA-N 447.044 5.463 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 225149928 AXUGVXBVUHLYGR-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@@H]4C)cc3)CCCC2)cc1 225513422 JLEYBZUFSTXSKC-QHCPKHFHSA-N 434.624 6.089 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCC2)cc1 225531484 NJCGQYJRWYJKNT-UHFFFAOYSA-N 436.596 5.256 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 225656979 MRDKTEQGDKTGMX-HYBUGGRVSA-N 442.575 5.015 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@H](C)C3)cc2)CCC(C)CC1 225668851 OWQHHEIRQBTDMK-UBFBPUDLSA-N 430.633 5.357 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)ccc1O[C@@H](C)CC 225773594 MPNKIOASWVZGEW-IBGZPJMESA-N 439.552 5.036 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)cc1 225778394 XUZQMYDFYWDDBS-MHZLTWQESA-N 441.958 6.747 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1F 408555561 HEWUGNLROJJZHM-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3c(Cl)cccc3Cl)sc2n1 408618831 HACLQVHYEWNQRF-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 408696142 WSJMETOUGFBYML-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccccc2)cc1Cl 408698797 POZHUPWZTUDKGU-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699025 UFMKYDYQOUJJAU-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(F)cc2)cc1-c1ccc(-c2ccccc2)cc1 408725367 OHLUMWQHWWQLNI-UHFFFAOYSA-N 447.513 6.906 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4Cl)cc3)C(=O)O2)cc1 409009075 USBVCRNJSYMYIM-JCMHNJIXSA-N 447.874 5.302 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 409052339 RYSVVXVQEDQMLL-UHFFFAOYSA-N 432.486 5.494 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccc(Cl)cc2)c1 409099120 SBXIHGXJOYBCRZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCc1sc2nc(SCc3cccc(Cl)c3)n(-c3ccc(C)cc3)c(=O)c2c1C 409111592 DJZVCDSFOPGKRL-UHFFFAOYSA-N 441.021 6.572 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(F)cc1 409113199 IMFODHHADFEBPK-UHFFFAOYSA-N 443.518 7.208 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccccc1/C=C1\N=C(c2ccccc2Cl)OC1=O 409190950 CITNDZHJOCRFOR-VCWRQBOVSA-N 429.859 5.303 0 40 IKAB COc1ccc(-c2c(C)s/c(=N\C(=O)C(c3ccccc3)c3ccccc3)n2C)cc1 409195923 SQEJNGJNBQFRQQ-RQZHXJHFSA-N 428.557 5.330 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)cc1 409242997 UCWKMGUGKIIRIR-XDHOZWIPSA-N 426.394 5.367 0 40 IKAB COc1ccc(CCC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cc1F 530405936 JHTNDZITXJHIHX-OAQYLSRUSA-N 425.479 5.050 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(Cc2ccccc2F)Cc2cc(C(=O)O)ccc21 643583212 ZGRVQQLLIQGFES-UHFFFAOYSA-N 440.559 5.479 0 40 IKAB CCc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4ccc(OC)cc4)cc3n2)s1 653954 FRDXFZSRKHWDSE-UHFFFAOYSA-N 446.454 5.300 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 682096 ULPSWGZHRLFIPL-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2cccnc2)cc1 874224 MQRWGYMCNSYSTQ-LJQANCHMSA-N 443.576 5.374 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 900713 SOWCIERNXNWCKA-OALUTQOASA-N 430.886 5.769 0 40 IKAB O=C(CC1CCCCC1)Nc1ccc2nc(C3CC3)n(Cc3ccc(F)cc3)c(=O)c2c1 1347227 RHFJPEJIGSGOAJ-UHFFFAOYSA-N 433.527 5.370 0 40 IKAB O=C(CSc1nnc(C2C3CC4CC(C3)CC2C4)n1-c1ccccc1)c1ccccc1 1468047 RVLUYVDDSHZQFB-UHFFFAOYSA-N 429.589 5.782 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2 2081291 QLSCTBCNQOKBAR-AWEZNQCLSA-N 435.973 5.562 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(C)cc2)N1c1ccc(N2CCCC2)cc1 2177880 KWADJGLMIMVVAH-MUUNZHRXSA-N 438.575 5.832 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(F)cc3F)cc2oc1=O 2207842 HOYKAZPXCDWFJU-UHFFFAOYSA-N 436.838 5.108 0 40 IKAB O=C(Nc1sc2c(c1CN1CCC(Cc3ccccc3)CC1)CCC2)c1ccc(F)cc1 2889308 YKLSJRWZAWAEFV-UHFFFAOYSA-N 448.607 6.083 0 40 IKAB Cc1ccc(SCc2nn(C)c(Cl)c2CSc2cc(Cl)ccc2Cl)cc1 3105904 QEHQJVUJCKAOBZ-UHFFFAOYSA-N 443.852 7.273 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 3191519 VBUDJHLWFVGQTB-UHFFFAOYSA-N 428.576 6.786 0 40 IKAB CCN(/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21)c1ccccc1 3223442 KBGFACLXESGOMO-CJLVFECKSA-N 436.433 5.760 0 40 IKAB COc1cc(NC(=O)CSc2ccc(Br)cc2C)c(OC)cc1Cl 3439982 NGCYJGXPWWSCFZ-UHFFFAOYSA-N 430.751 5.159 0 40 IKAB O=[N+]([O-])c1cc([N+](=O)[O-])c([C@H](Cl)[C@@H](Cl)c2ccccc2)cc1C=Cc1ccccc1 4267898 YSMPRUOJLAHKGO-VXKWHMMOSA-N 443.286 6.933 0 40 IKAB biogenic CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C4CCCCC4)CC[C@@H]32)C1 4428524 UCQQTYPFMHIJRO-IOYLNEAKSA-N 444.656 6.453 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 6143791 HCPYBZNIRCSBJX-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB C[C@@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 8899256 OYSVTKKKXRMUPI-MRXNPFEDSA-N 449.507 5.747 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 8995093 KNLJUGAYBLLGDO-HXUWFJFHSA-N 428.536 5.388 0 40 IKAB c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 9109293 NZBYWUOOQBVPKT-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB CCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9130342 RZXMOFJPBQYWQC-FNZWTVRRSA-N 442.559 6.009 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9200054 DQYVBPMGHMHFPK-UHFFFAOYSA-N 443.528 5.183 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3c(O)ccc4ccccc34)nc3ccccc3c2=O)cc1 9310826 IYJOAQGCGPHDSX-JQIJEIRASA-N 434.451 5.113 0 40 IKAB Cc1ccccc1C(=O)NCCn1cc(SCc2ccc(Cl)cc2)c2ccccc21 9391836 LJEBDIJURNFLDC-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB CCOc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(OCC)c1OCC 10109568 BSTBNCWEICTNKV-SFHVURJKSA-N 440.565 5.470 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1Br 12192875 SBGXBLYDTBIBGK-NFBKMPQASA-N 435.321 5.700 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2ccc(C)cc2)cc1 12482421 ORNMAVUPHKSLLM-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC[C@@H]3c3cccnc3)cc12 12563415 JEMUYCRHYCQOCL-HXUWFJFHSA-N 436.968 5.480 0 40 IKAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 12767491 RASFWNVRQFUTMP-LJQANCHMSA-N 432.351 5.000 0 40 IKAB C[C@H](Oc1ccc2c(C(F)(F)F)cc(=O)oc2c1)C(=O)Nc1ccc(C(C)(C)C)cc1 13040964 WQDKGTKKBBSGFI-ZDUSSCGKSA-N 433.426 5.515 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(C)n1Cc1ccco1 13112749 KOLMKAAASFAPFW-UHFFFAOYSA-N 438.578 5.376 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13114508 ZQYKLENGNPYRAR-KSFYIVLOSA-N 442.540 5.584 0 40 IKAB CC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 13137286 CUUXFYSMRPCSDW-UHFFFAOYSA-N 427.401 5.374 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3)n2)cc1OC 13960510 VEDYWRBJXZIACI-UHFFFAOYSA-N 430.504 5.300 0 40 IKAB FC(F)(F)Oc1ccc(Nc2nnc(Sc3ncnc4ccsc34)s2)cc1 14075130 GPRRLBNOKIZIRO-UHFFFAOYSA-N 427.458 5.336 0 40 IKAB COc1cc(/C=C/C(=O)Oc2c(Cl)cc(Cl)c3ccc(C)nc23)cc(OC)c1OC 14360943 PUPRYBKXWRJPIA-SOFGYWHQSA-N 448.302 5.495 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2C)c1 15911116 JGSBKELBAKUITP-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)Nc1cccc(Cl)c1 16398940 NNMPNBDAXPZQOP-UHFFFAOYSA-N 440.830 5.367 0 40 IKAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(Cl)c(Cl)c1 16492079 LSPMNCUXNBIDAH-UHFFFAOYSA-N 425.340 6.579 0 40 IKAB C[C@H](NC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1nc2ccccc2[nH]1 16685379 BSUSCKKKXZBAFT-MRDQGFSESA-N 440.572 5.550 0 40 IKAB Cc1sc2nc(SCC(=O)c3ccccc3Cl)n(Cc3ccco3)c(=O)c2c1C 16713429 AMJAYGNAIYTVMK-UHFFFAOYSA-N 444.965 5.345 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 16805133 ZLNKKIUPQSRHDM-UHFFFAOYSA-N 448.932 5.171 0 40 IKAB CCCCCc1ccc(C(=O)NCCCN(C)C(=O)c2ccc(CCCCC)cc2)cc1 19074963 OYXIDOVMQSCOPV-UHFFFAOYSA-N 436.640 6.044 0 40 IKAB O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 19342886 CYQSDAZDQNQUQD-DNVJHFABSA-N 438.543 5.157 0 40 IKAB CNc1cc([C@@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)nc(C2CC2)n1 19592095 RCNNZSWODMRCOQ-JOCHJYFZSA-N 431.584 5.247 0 40 IKAB Fc1ccc(NC(=S)N2CCN(C(c3ccc(F)cc3)c3ccc(F)cc3)CC2)cc1 19633900 UQLFIRMOLDKFLA-UHFFFAOYSA-N 441.522 5.208 0 40 IKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 20448466 GYDZQVPJWCNFHJ-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(Cl)cc2)cc1 20970073 FKWNELNDCAAGJA-DEOSSOPVSA-N 442.950 6.180 0 40 IKAB CCN(CC)CCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 22075750 HWHKVPYBHQVMPA-UHFFFAOYSA-N 445.818 5.666 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 25392830 FJHPBGSLXVLRHX-UHFFFAOYSA-N 427.935 5.699 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CCCN(C(=O)c5ccco5)C4)cc3)sc2c1 25454351 YAVMQDWFTJOIHZ-SFHVURJKSA-N 445.544 5.356 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)c1cc(C2CC2)on1 25539888 XLSBJMJKLOSOPQ-UHFFFAOYSA-N 432.911 5.330 0 40 IKAB Cc1noc(CSc2ccccc2C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)n1 26690527 GYMPTTLIMBZMOO-UHFFFAOYSA-N 430.533 5.081 0 40 IKAB CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@@H]1CCCc2ccccc21 27447789 KEASUJKSJQJCJI-OAQYLSRUSA-N 426.969 5.454 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2cccnc2)nc2ccccc12 32070624 CTCKWTXEZAAFPR-UHFFFAOYSA-N 427.813 6.221 0 40 IKAB Cc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2ccc(F)cc2)o1 32925241 IEJBHLYESKCJPS-LJQANCHMSA-N 427.273 5.481 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)n1 32970946 FIVYHSNVTNUVTL-LJQANCHMSA-N 443.576 5.062 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 33262615 JRUFMHOSUULFSB-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccc(Cl)cc4)c3)no2)cc1 33327400 IAWMMVWTDSAXSD-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC(C)CCn1c(=O)c2sccc2n2c(SCc3c(F)cccc3Cl)nnc12 35529053 UWNRUVSGNSWYIB-UHFFFAOYSA-N 436.965 5.237 0 40 IKAB Cc1ccc(-c2nc3c(sc4nc(C(F)F)cc(-c5ccc(C)cc5)c43)c(=O)[nH]2)cc1 35678049 FDPIOMPPYMOQPT-UHFFFAOYSA-N 433.483 6.421 0 40 IKAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1OC 38581064 POKADCOTZXAHOM-UHFFFAOYSA-N 430.529 5.676 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 38754120 KKNKBPXHNLLNAF-RUZDIDTESA-N 443.587 6.628 0 40 IKAB Cc1cc2nc(Sc3nnc(-c4cccnc4)n3Cc3ccccc3)c3ccccc3n2n1 40071546 LFMYJYVFAIIRAJ-UHFFFAOYSA-N 449.543 5.044 0 40 IKAB CCc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 49422078 DOTTVCPGUMIFGM-UHFFFAOYSA-N 444.579 5.655 0 40 IKAB CSc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261470 ZYRQCKGHLCQWMS-UHFFFAOYSA-N 431.952 5.932 0 40 IKAB CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N(CC)CC)cc1 71328078 XBAJIKSIKWLERK-UHFFFAOYSA-N 429.630 5.329 0 40 IKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1 71768757 RRVBRPXIPGPPIJ-UHFFFAOYSA-N 426.994 5.955 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72215085 NPNHRAWFVMKPJS-MRXNPFEDSA-N 435.565 5.109 0 40 IKAB COc1ccccc1Cc1cccc([C@@H]2CCCN(Cc3ccc(NC(C)=O)cc3)C2)n1 72349949 PLHAPVXUKVUBNB-HSZRJFAPSA-N 429.564 5.019 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 72392002 QBIVSNHRDNQVBF-UHFFFAOYSA-N 445.441 5.648 0 40 IKAB O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344488 ZCXRFEZGTYIYAD-RUZDIDTESA-N 430.592 5.230 0 40 IKAB O=C(Nc1c(NCc2ccccc2)c2ccccc2oc1=O)c1ccc(Br)cc1 101095166 XEEPXEAMRUIUMG-UHFFFAOYSA-N 449.304 5.420 0 40 IKAB Clc1ccc(S/C(=C2/Nc3ccccc3S2)c2nc3ccccc3s2)cc1 103447643 IFXOUGROYQVBAH-VXPUYCOJSA-N 425.003 7.586 0 40 IKAB CC(C)(C)c1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724745 XWUZWZRBTJHAEY-PDGQHHTCSA-N 430.367 5.983 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 107796466 ZKJAUHGYEWPUJQ-UHFFFAOYSA-N 449.765 7.149 0 40 IKAB COC(=O)CCC(=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 118924168 OYPYMNFOUYYNKV-AACJOILJSA-N 432.601 5.099 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 169527740 CJAFSGJMWMUDMF-LIOHBJMPSA-N 439.461 5.388 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219464252 OIVVROFJGXFVQB-UHFFFAOYSA-N 430.504 5.176 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222749539 WLMHDFLLNTULOH-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB C[C@@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(F)cc1 223078701 KXNXYSQHJRPTPM-MRXNPFEDSA-N 436.914 5.563 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 223083025 ASJMPJFOTXXJMG-LJQANCHMSA-N 436.777 5.628 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 223770215 BVQPCCSHSZEDGS-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224431523 CUBPOAIYKNFPTL-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1NS(=O)(=O)c1ccccc1 224957716 RAZBGCMCXPFCTB-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC 225750475 KKFXUTWBVNDQCY-INIZCTEOSA-N 429.944 5.754 0 40 IKAB O=C(NCCc1ccccc1Cl)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257269354 MPPODLASAVRYLC-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1[C@H]2CC[C@H]1CC(Cc1cccc3ncccc13)C2 257272650 NDHHVOARJGIWAS-ZEQRLZLVSA-N 436.559 5.106 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2)CCOCC1 257338706 YYPHSROZGSSXOH-QHCPKHFHSA-N 428.576 5.055 0 40 IKAB CCOc1cc(C(=O)Nc2cc(OC)ccc2OC)cc(Cl)c1OCc1ccccc1 408554892 GBNTXRGVPRICKC-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 408572046 DYKGRJWWJKHGCV-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CCOc1ccc(N(Cc2ccccc2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1 408624092 FHVLBJWMMNHKAJ-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1OC 408819265 YWHPFAFSDXMSOG-ULWLBBBNSA-N 437.585 5.758 0 40 IKAB O=C(OCc1ccccc1)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 409182469 LDUUSXKUMBOPQB-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2C)cc1 409357664 BVFULUCGAPOUGC-UHFFFAOYSA-N 447.029 5.250 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1C 409369934 HWCOSHZSNIPULT-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1 409409971 KHZQOUYLBVBYKE-UHFFFAOYSA-N 447.000 5.378 0 40 IKAB O=C(c1cc2ccccc2cc1O)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100358 INILVMLDFSZBHZ-MHZLTWQESA-N 432.539 5.345 0 40 IKAB C[C@@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)c1cc2ccccc2nc1O 1635961154 LUFAGTSOTHJXQA-QFIPXVFZSA-N 432.417 5.336 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 937761 UHOHZBXNANLBIP-SFHVURJKSA-N 432.520 5.224 0 40 IKAB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 1222365 VBQYZPOQINXQBH-GOSISDBHSA-N 444.560 5.371 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1cccc(F)c1 1339006 GPIDYZWXBLKFBF-JOCHJYFZSA-N 437.540 5.119 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(Nc5ccccc5)sc4C)ccc32)cc1 1354460 UCLJRKZLQYTTPT-UHFFFAOYSA-N 425.557 6.373 0 40 IKAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)s1 1367156 CLHVARXFAWPZRT-HSZRJFAPSA-N 447.604 5.202 0 40 IKAB COc1cc(/C=C2\c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)cc(OC)c1OC 1723751 ZEFZMLJHXNCGGO-OMCISZLKSA-N 447.745 7.242 0 40 IKAB CCOc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc34)n2)cc1 1800131 MCSNZEZSLJVEHL-UHFFFAOYSA-N 449.550 7.062 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)N2c3ccc(C)cc3-c3c(ssc3=S)C2(C)C)cc1 2052738 PQEASTVKXXGXRW-UHFFFAOYSA-N 433.645 6.267 0 40 IKAB O=C(CC1(c2ccccc2)N(c2ccccc2)C(=O)C(=O)N1c1ccccc1)c1ccccc1 2077794 IOGVURFLAJOPTQ-UHFFFAOYSA-N 446.506 5.192 0 40 IKAB CCc1c(C)sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1C(=O)OC 2082056 QYNDJZUTFJASSA-FQEVSTJZSA-N 425.575 5.878 0 40 IKAB CCCCCCN1CC(=O)N2[C@@H](c3ccc(Cl)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 2107030 MKYPRURZVRYSAR-RDGATRHJSA-N 449.982 5.087 0 40 IKAB biogenic CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 2113903 BZNIIOGSANMIET-XSZALXRASA-N 442.728 7.238 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2263806 ULIIJIWQXYHWRB-ZDUSSCGKSA-N 438.915 5.021 0 40 IKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 2915346 JYJZEMKRIHSWLE-JWQCQUIFSA-N 440.934 5.761 0 40 IKAB CCN(CC)c1nc(Nc2ccc(Br)cc2)nc(Nc2cc(C)ccc2C)n1 3184622 UEZDLLXHNVPQTC-UHFFFAOYSA-N 441.377 5.584 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)c(C)c1 3293734 ZBEQFQATHUGMLY-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3298782 WOKHJIONAXVRDV-UHFFFAOYSA-N 446.915 6.138 0 40 IKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 5091728 NXPJETGVRHQEDV-NRFANRHFSA-N 425.960 5.093 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1[P@](=Nc1ccccc1Cl)(N(C)C)C(C)(C)C 5677842 DYMHEAIAVZXHFX-LJAQVGFWSA-N 428.948 6.576 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cccc(C)c3C)nc(-c3ccccc3)nc12 6860537 QFTCJFWSIRWCDZ-UHFFFAOYSA-N 427.573 6.207 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1C 7929227 DGVYPTAWYAMDBX-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccccc1Br 8427192 ZRICNYFQLOCGPU-NRFANRHFSA-N 441.756 6.467 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C)cc2C)CC1=O 8587092 LKNLNPGKMHPIPX-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccccc23)cc1 8605082 JNLRZHYSGBUYLM-UHFFFAOYSA-N 429.541 5.478 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 8752505 ACNYPHBPSPDGNO-GOSISDBHSA-N 431.923 5.267 0 40 IKAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756193 FHFIXWCEYIJSDG-FQEVSTJZSA-N 443.522 5.337 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 8871073 XSAFZFDQIFMMGQ-IBGZPJMESA-N 443.595 5.354 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2c(c1)CCCC2 8921955 YURLWWZMCGHYJY-MHZLTWQESA-N 445.946 5.226 0 40 IKAB Cc1oc2cc(OCC(=O)Nc3ccc(F)cc3F)ccc2c(=O)c1Oc1ccccc1 9047568 YJTMKPKXJLXFFJ-UHFFFAOYSA-N 437.398 5.189 0 40 IKAB Cc1c(NC(=O)CC(c2ccccc2)c2ccccc2)cccc1-c1nc2cccnc2s1 9252155 BXCWZZXXADFNLA-UHFFFAOYSA-N 449.579 6.827 0 40 IKAB COCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 9272162 CRHFZFHVQNWPRI-QPLCGJKRSA-N 447.560 5.639 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 9307454 UCONQMZJZRHSQR-GOSISDBHSA-N 438.597 5.430 0 40 IKAB O=c1[nH]c(SCc2nnc(-c3cccs3)o2)nc2scc(-c3cccs3)c12 9494859 SERCPXAIFJHRQC-UHFFFAOYSA-N 430.561 5.117 0 40 IKAB O=C(Cc1cn(Cc2ccc(Cl)cc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 9523647 CEPLEIQVPOOLKH-UHFFFAOYSA-N 432.907 5.295 0 40 IKAB C[C@@H](Sc1nnc(C2CCCCC2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9638938 CGXIZDZLVOWORV-LLVKDONJSA-N 444.607 5.997 0 40 IKAB Oc1nc(/C=C/c2cn(Cc3ccccc3Cl)c3ccccc23)cc(C(F)(F)F)n1 9805191 WJMSBUUGRZUZCU-MDZDMXLPSA-N 429.829 6.028 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)c1 9924810 TZKMNALEBJWRBE-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccccc3Br)nc12 11142973 MRVAGHPBKUPJKY-HNNXBMFYSA-N 445.382 5.501 0 40 IKAB COc1cc(N2CCn3c(nc4cccc(Cl)c43)C2)ccc1NC(=O)c1cccs1 12418977 XFPNIPWSCAAWOI-UHFFFAOYSA-N 438.940 5.032 0 40 IKAB COc1ccc(-n2c(SCc3csc(-c4ccccc4)n3)nc3ccccc32)cc1 12532342 FZCSYONBJFSVPW-UHFFFAOYSA-N 429.570 6.450 0 40 IKAB CCOc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc(OC)c(OC)c3)=NN2)cc1 12707546 SUMVAINZPJHCEM-UHFFFAOYSA-N 435.911 5.190 0 40 IKAB CCn1c(S[C@H]2CCCC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 12777389 BAUKFQKZLRJPKC-QHCPKHFHSA-N 428.561 5.702 0 40 IKAB CSCC[C@H](NCc1cc(C)n(-c2ccnn2C(C)C)c1C)c1nc2ccccc2[nH]1 13109881 MSGBAUHGWGGGKD-QFIPXVFZSA-N 436.629 5.332 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Cl)c3Cl)c2n1 13148800 HDAPPUHEQMDNGS-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 13677100 POKOTDQMSHEPFZ-UHFFFAOYSA-N 442.540 5.754 0 40 IKAB O=C(OC1CCCCC1)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 13857800 BGILATRMMSWBQS-UHFFFAOYSA-N 441.483 5.769 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)c2)cs1 14018003 JXTLYBJPJRPRFS-UHFFFAOYSA-N 427.888 6.127 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2ccc(C(C)C)cc2)CC1 14291128 NIJHFRVXCLYALL-UHFFFAOYSA-N 427.976 5.020 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2C)c2cccc(C)c2)cc1 16309848 QPBWOQXRTCUMDF-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccc3ccccc3c2O)cc1)c1ccc2ccccc2c1O 16526029 HVNDDKMMPYPWHS-UHFFFAOYSA-N 448.478 5.909 0 40 IKAB C[C@@H](NC(=S)NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 17095232 JTQJNIRPSOZYBD-ZJRYTYELSA-N 427.013 5.702 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3C)n2)c(OC)c1 19641093 YZSDOYYAHGGAST-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4)o3)o2)cc1 19928740 KZQJEGAARVQIJT-UHFFFAOYSA-N 426.929 6.030 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)ccc1Cl 20411318 LSDKWSYUJHRUMM-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)oc2cc1C 21578527 CKPIGYCVAFCGBC-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB Cc1cccc(-c2nc(CSc3nc4ccccc4n4c(C(C)C)nnc34)c(C)o2)c1 21658025 FCHKWBQJHXKSOA-UHFFFAOYSA-N 429.549 5.965 0 40 IKAB Cc1ccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256955 IAGSAUJTLUKNCJ-UHFFFAOYSA-N 439.581 5.302 0 40 IKAB CN1CCN(c2ccccc2NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)CC1 24595291 ZFUZRBXKSWAIQR-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(C(=O)N2CCCCCC2)CC1 24650118 CSDJVZZQJWIOID-UHFFFAOYSA-N 446.016 5.027 0 40 IKAB COc1ccc(NC(=O)COc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 27020092 TZDBMEZRBBVTFQ-UHFFFAOYSA-N 429.514 5.980 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 30847901 QELBBSGXEWJLBI-SFHVURJKSA-N 438.549 5.017 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(C(F)(F)F)c1 32604180 LRAONVJOPZTSSA-UHFFFAOYSA-N 436.434 5.169 0 40 IKAB O=c1c2c(ncn1CCc1ccccc1)c1ccccc1n2Cc1ccc(F)cc1Cl 35400251 WPLYHENWMYGPNW-UHFFFAOYSA-N 431.898 5.435 0 40 IKAB Cc1ccc2c(c1)c1ncn(C[C@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1F 35400799 DHIWEWUAENDGMZ-IBGZPJMESA-N 425.507 5.651 0 40 IKAB COc1cc(NC(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc(OC)c1OC 44224861 LUQXQUHPHVVGPJ-UHFFFAOYSA-N 442.522 5.090 0 40 IKAB O=c1c2sc3ncccc3c2nc(SCc2ccccc2)n1Cc1ccc(F)cc1 45923661 PYJHIERJYPISFJ-UHFFFAOYSA-N 433.533 5.486 0 40 IKAB CC(C)COc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 57254370 AXITVENABWJYBZ-UHFFFAOYSA-N 443.591 5.296 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2Cl)cc1 57487748 QTDNEURQHWWCQF-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=C(N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)C1(c2cccs2)CCCC1 70635531 YEKGIRUEFHXBGU-UHFFFAOYSA-N 425.529 5.155 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72215181 UIKMWEODKMIDQO-KNQAVFIVSA-N 437.584 5.989 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CNCCc1nc2ccccc2n1C(C)C 89520831 KIFQYRMLAQQSAG-UHFFFAOYSA-N 436.003 5.465 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4cccc(F)c4)Oc4ccc(Br)cc4[C@H]3C2)o1 102910915 MIHQNVGYNIPBET-NQIIRXRSSA-N 427.273 5.732 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c2ccccc2O1 222600578 GGPRSPRMZHNXDM-VFPBWNIXSA-N 441.571 6.435 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 222631968 XVZRKALMNTYTBO-BYYRLHKVSA-N 430.360 6.238 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 223060834 UDGAHDPPSJFENL-UXHICEINSA-N 445.003 5.139 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccccc1 223370656 KQKADZZBKIELCK-ROUUACIJSA-N 430.396 5.078 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223418519 TZIUUXXVDCZYKN-VWLOTQADSA-N 448.994 5.425 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C 223470748 HRSASTVGXYXBND-SFHVURJKSA-N 433.423 6.008 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224327514 PTXVWRXNTXWPAH-DNQXCXABSA-N 425.561 5.007 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224374518 KOFXVWGLMRTEJT-UIOOFZCWSA-N 444.648 6.689 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc2ccccc2c1 224641860 ZVRDNGBRYHPOLF-UHFFFAOYSA-N 433.454 6.348 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 224933519 CDPSRROMONTFQU-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 225128473 XEVIDCLSNYBAHQ-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)cc3F)ccc21 225484309 ZQGQVJIOZOXDQA-UHFFFAOYSA-N 426.944 6.479 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)ccc1Cl 225700648 GRTDJCFOEGGGDJ-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccccc1Sc1ccccc1 225811728 VIVPWOQSDVWBDR-UHFFFAOYSA-N 435.936 6.113 0 40 IKAB O=C(Cn1cnc2ccccc21)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257300849 RVXQOVJTUOGLRP-NRFANRHFSA-N 444.966 5.082 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(C(=O)O)[C@](C)(CCC(=O)O)[C@@H]3CC[C@@]12C 257349704 QJUQBYMZJRWYDP-YJPJVVPASA-N 432.645 6.793 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1NC(=O)c1ccccc1 408557026 KLNSDDPGPCEKSP-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccc(Cl)cc2)cc1Cl 408558364 UCOGIRIMQCXUQC-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)cc1 408561306 HNSLAGIHQKXBQM-LVWGJNHUSA-N 433.404 6.545 0 40 IKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408572013 DVFKZWGDFJQMIF-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408573244 JKKYHSHNINXGJG-UHFFFAOYSA-N 425.981 5.955 0 40 IKAB CCc1nc(S/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O)n[nH]1 408631525 JZGFKGSHZRBTJW-ODLFYWEKSA-N 438.940 5.241 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1C 408645472 SIRVQSQYGOHWJD-GOSISDBHSA-N 434.923 5.741 0 40 IKAB CCc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408649251 ZSFAKKJTVDZULN-OAQYLSRUSA-N 428.532 5.650 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Br)cc3C)nc2-c2ccccc2)c1 408699569 XWZOYCNCUUQPGL-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CSc1nc2ccc(NC(=O)c3ccccc3C(=O)NCc3ccccc3)cc2s1 408749036 KJUBBZWDKZDXIS-UHFFFAOYSA-N 433.558 5.201 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc(Br)c1OC 409120449 WAGSAKZACMKYMI-YVLHZVERSA-N 430.342 5.400 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1 409183075 RABJMLDALZYKNZ-HHHXNRCGSA-N 449.506 6.028 0 40 IKAB Cc1nc(S/C(=C\c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C(=O)O)n[nH]1 409194411 LBDFZKUMRABQED-JAIQZWGSSA-N 438.940 5.296 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409255853 LKWZIJIKJZZBCA-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(Cl)ccc2C)cc1 409338301 HLOWSZNZEFACII-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)C2CCCCC2)c(C)c1 409367052 BTDCMBMUHCIUGD-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB CC(C)Cc1nc(COc2ccc(Cl)cc2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265568 SXOURYYWJHHWBS-UHFFFAOYSA-N 430.331 6.531 0 40 IKAB COc1ccc([C@@H]2SCC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 717979 GOEMEMPXHVGXON-DEOSSOPVSA-N 427.529 5.323 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C 1378379 XJWHXPJYNOQGFK-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)nc2c1 1841491 NNMPNYBXDOTWCF-CQSZACIVSA-N 439.342 7.567 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2304830 JHRQTSOSHHFGAS-LJQANCHMSA-N 442.650 6.217 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1cccc(F)c1 2450210 FECNFCDMLFKNRC-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1C 2450291 QGSGROPCKBWPHC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(Cl)cc2Cl)cc1 2642732 FUYYMQSDIWJPDC-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCCC)cc3)cc2)cc1 2742023 MFXLREXGYOKWPC-UHFFFAOYSA-N 428.576 6.876 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2Cl)CSC3)c1C 3008359 KLCUEGCTJSSFKH-UHFFFAOYSA-N 448.375 5.560 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 3303613 OYVPXSCIUGUMIB-UHFFFAOYSA-N 441.512 5.430 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3319578 LZCWWOSAFSUJDG-IRXDYDNUSA-N 441.000 5.469 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3324118 QONNFOGPMHGNOI-UHFFFAOYSA-N 434.926 7.475 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(OC(F)F)cc4)c23)C1 3371011 ZYNKWXKHFHHGBB-NSHDSACASA-N 435.521 5.148 0 40 IKAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1cc(-c2ccncc2)nc2ccccc12 6191246 VRAXKYFTMONYBX-UHFFFAOYSA-N 448.482 5.072 0 40 IKAB Cc1ccc(OCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 6245568 BENFLSCLQKQWRA-UHFFFAOYSA-N 443.616 6.745 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 8410095 WEBMVXMEBUOBDQ-BZZOAKBMSA-N 446.304 5.980 0 40 IKAB Fc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717697 QHXLVYPYKRNMER-VWLOTQADSA-N 427.523 5.362 0 40 IKAB Clc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4)n2)CCCC3)cc1 8873078 DEDLWPYTKUIZST-UHFFFAOYSA-N 433.429 7.106 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccccc2Cl)CC1 9063213 IYKDJYJPIRQDSO-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB O=C(CNc1ccccc1C(=O)Nc1ccc(F)cc1)Nc1cc(Cl)ccc1Cl 9120807 WHNZSOWQLSEMTI-UHFFFAOYSA-N 432.282 5.435 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)[C@@H](C)Oc2ccc(C(C)C)cc2)cc1OCC 9195008 IRGRPGQLUQJKON-MRXNPFEDSA-N 439.512 5.063 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccccc2N)c2c(C)oc(C)c12 9235158 QFRZLQPPLCHRTF-SGWCAAJKSA-N 428.488 5.659 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 9284967 CYPYREHJIHAULH-OAQYLSRUSA-N 427.859 5.333 0 40 IKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1ccc2c(c1)CCCC2 9391424 HVFTVWDKZTZDAX-UHFFFAOYSA-N 434.333 5.811 0 40 IKAB COc1ccccc1Oc1c(C)n[nH]c1-c1ccc(OCc2cccc(Cl)c2)cc1O 9410817 ZHKJHIRRQYMULS-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 9533552 SPANAFGTMMWBGB-NRFANRHFSA-N 434.565 5.280 0 40 IKAB COc1ccc2nc(S[C@H](C(=O)Nc3cc(C)ccc3OC)c3ccccc3)[nH]c2c1 9596078 USKQXCOYIYKLPY-QFIPXVFZSA-N 433.533 5.361 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 9664603 UGUCVWJYMJZEJK-NRFANRHFSA-N 432.524 5.576 0 40 IKAB Cc1cc(SCC(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc2c(C)cccc12 9727097 AVBVQDLGEUYMSJ-HXUWFJFHSA-N 434.561 5.079 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)c3ccccc3n2)c(OC)c1 9970832 ROWUVTUVNFDMJM-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1cccs1 12342059 BHWQHXXVSCNUCW-UHFFFAOYSA-N 429.423 5.085 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3cc(C4CC4)nn3-c3ccccc3)n2)c1 12675864 YWOFIPZBZAXOIV-UHFFFAOYSA-N 446.532 5.143 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3ccc4c(c3)C[C@H](c3ccccc3)OC4=O)c2)cs1 13017648 UYDGDFFTGSDLSX-XMMPIXPASA-N 440.524 5.825 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 13116954 AWYFKUGPMHUVPQ-HSZRJFAPSA-N 437.465 5.699 0 40 IKAB Brc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 13305671 SRNHLDUYSWBCKZ-UHFFFAOYSA-N 449.398 7.257 0 40 IKAB C[C@@H](Sc1ccc2c(c1)OCCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14244612 XEPXOGVBTXDYQD-GFCCVEGCSA-N 442.587 5.728 0 40 IKAB COc1ccc(-c2nn(Cc3cccc(OC)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 17099274 RSJHLBUIPUOPEJ-UHFFFAOYSA-N 434.923 5.945 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19764875 SGRHWJLGCJHEFP-NRFANRHFSA-N 440.975 5.325 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)C1=C(c2ccccc2)c2ccccc2N(C)S1(=O)=O 20063451 MKUQPBTZBKXOKJ-UHFFFAOYSA-N 446.572 5.296 0 40 IKAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(OCc3cccc(Cl)c3)c1)CC(O)=N2 20729662 KSUJYFMCEBGYPZ-HXUWFJFHSA-N 445.910 5.327 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)(C)C)n2)cc1 22255770 DUSFVEOVGIYXCQ-JOCHJYFZSA-N 446.595 5.397 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc3ccccc3c2)sc2c1CCCC2 30752398 DXEMWYJMHGKKCH-HXUWFJFHSA-N 437.561 5.753 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc12 30819193 IJZNCJTYXUGPGO-KRWDZBQOSA-N 431.532 5.535 0 40 IKAB COc1ccc(/C=C\c2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1 31490284 MCNPOZMLKGDJGP-DAXSKMNVSA-N 447.964 5.704 0 40 IKAB CN1C(=O)[C@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)c2cc(Cl)ccc21 32071300 BEXDJSHUOHJMLD-JOCHJYFZSA-N 438.892 5.021 0 40 IKAB CSc1cccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c1 32578482 CNBYLPGQGATPAD-UHFFFAOYSA-N 431.517 5.451 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 32622871 ZJRYDQOKJNPANU-QFIPXVFZSA-N 438.955 5.067 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c(C)c1 34864035 GLVSIDFTNCAKPZ-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 34879932 NVPQSVDHEMHIMR-SFHVURJKSA-N 449.407 5.541 0 40 IKAB CCn1c(Sc2nc(C)nc3scc(-c4cccs4)c23)nnc1-c1ccco1 40023328 BSAQIVXMWDCJBN-UHFFFAOYSA-N 425.564 5.751 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44900273 DZKFKMKQTGNQDO-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2cc(F)ccc2Cl)nc2ccsc2c1=O 57426078 GZVVSLVRDQOCEM-UHFFFAOYSA-N 439.965 5.027 0 40 IKAB Cc1ccccc1-n1nc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)c2ccccc2c1=O 64950216 ZZCGJHGCOOMFED-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(OC)cc2)c1 67297625 HOFQROMFRFEHFU-FVDSYPCUSA-N 442.471 5.103 0 40 IKAB Cc1nc2c3ccccc3nc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2n1 71818163 JWJFQJCBMQDZFY-NRFANRHFSA-N 443.507 5.197 0 40 IKAB C[C@H](CCC(=O)N1CCCC1)[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 72325115 MRBBEDVJNFJHNU-BJICXTOASA-N 445.688 5.016 0 40 IKAB biogenic CC(=O)N1CC[C@@H](c2c(C(=O)N3CCC(Cc4ccccc4)CC3)sc3ccccc23)C1 72352641 YHPSGFYOQODNFQ-JOCHJYFZSA-N 446.616 5.332 0 40 IKAB Fc1ccccc1C1=C[C@@H](c2ccc(Br)s2)n2c(nc3ccccc32)N1 101353697 WDQOFZAOYCMYPW-KRWDZBQOSA-N 426.314 6.055 0 40 IKAB O=C(CN1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccco1)Nc1ccccc1F 104232248 RATXTWMKLCBDGX-VWLOTQADSA-N 431.467 5.687 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2c(F)cccc2Cl)C1=O 106741603 ZCRPEOCLCPSFBH-MFOYZWKCSA-N 426.296 5.768 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)c(Cl)c1 106979642 VHFHWYKRXMESFX-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 216050756 IMBXBVKJHHBSEQ-UHFFFAOYSA-N 427.744 5.471 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCCOc3ccc(Cl)cc3)c2)cc1 216242117 DFFKYZJCZDGVCI-UHFFFAOYSA-N 449.978 6.666 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222938945 WRWGYSCEIZRZMA-LEWJYISDSA-N 446.403 6.277 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 223140851 OXGJWSLSLAANLI-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223178599 JKUZWVLGIPWXSL-JOCHJYFZSA-N 429.004 5.124 0 40 IKAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223428678 QLZLQZUPBNVTHX-QHCPKHFHSA-N 441.358 5.052 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC1CCCC1 223758175 UKLODNDLLIFWLC-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB COC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1Cl 223830892 WEFMVOMFWSQYRT-UHFFFAOYSA-N 433.938 5.079 0 40 IKAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C(C)(C)C)cc1 223922869 XRHYCDOPRVKLOE-GOSISDBHSA-N 436.577 5.276 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 224013531 UJTCINBKLGQYBG-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224292143 DLYFBRXWNMZRMY-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1CSc1ccccc1 224324541 NNSTWSKBKRXFBB-UHFFFAOYSA-N 428.351 6.002 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COc1ccccc1 224367759 BGQDDRFGTHQQKD-UHFFFAOYSA-N 439.511 6.709 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(Cl)c(C)c1 224541969 DYNPJJFWPFNZTP-UHFFFAOYSA-N 437.967 6.749 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1 224893937 NQIILUXVWSFDIP-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225225410 UXQRKOOTSCSUSK-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1)N1CCCCC1 225544641 HUICDILMRBJSEG-UHFFFAOYSA-N 438.543 5.058 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC2)cc1 257259029 KWNHHBALYJJJDQ-UHFFFAOYSA-N 448.994 5.882 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3cccnc3C)CC2)on1 257272467 NCNNLTHKDBSWKD-WGSAOQKQSA-N 447.583 5.145 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)CC1)C1(c2cccc(F)c2)CCOCC1 257306861 SWHXBYNXAWERFT-NRFANRHFSA-N 446.566 5.294 0 40 IKAB S=C(NC[C@@H]1CCCO1)c1cc(Br)ccc1OCc1ccccc1Cl 408571992 DSYAKCVREWIZLV-HNNXBMFYSA-N 440.790 5.126 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1 408686853 SLSBHUUWYNWGFI-UHFFFAOYSA-N 435.738 5.726 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(C)cc2)cc1 408697362 GQEKWDKXDIZISF-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4cccc5ccccc45)sc3c2)cc1 408750400 MJSNBKUKMSIONW-UHFFFAOYSA-N 440.593 7.303 0 40 IKAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)NC1=S 409006670 KKQZBKGBERKLFL-PXNMLYILSA-N 441.767 5.303 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409176638 UBQFLRLOJXJNIK-HNNVXOBOSA-N 442.990 7.197 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)c1 409179823 NTGYFXKMVNYWEZ-UHFFFAOYSA-N 439.305 5.376 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccc(C)cc3)s2)cc1 409201774 PRHPWOCNODDHFW-UHFFFAOYSA-N 440.568 6.696 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 575444401 WYLZJQJUOAMTHH-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C1=O 643562117 DRNSILQDUVLWTR-UHFFFAOYSA-N 445.607 5.014 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1Cl 1889298576 IIPZYZOSNCVCBK-BZZOAKBMSA-N 439.920 5.468 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cccs3)cc12 940634 JHIJNPQTKCTDKX-UHFFFAOYSA-N 427.503 5.139 0 40 IKAB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3ccc(O)cc3)C2)c(=O)o1 1278211 ITBOLXSQGKMINB-LJQANCHMSA-N 447.434 5.736 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cc2cc(OC)ccc2nc1Cl 1301688 WSRDASNPLOQHBS-HXUWFJFHSA-N 428.319 5.638 0 40 IKAB Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccc(Cl)cc1 1361070 MZUHZDHHKDQCLB-UHFFFAOYSA-N 430.976 5.240 0 40 IKAB CCCc1nc2ccc(NC(=O)c3cccs3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363177 NRUVEFLLDKMUGC-UHFFFAOYSA-N 437.952 5.365 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCC4)cc1 1439894 BUFUCPKEMGOFNP-UHFFFAOYSA-N 449.963 5.949 0 40 IKAB CC1=C(C(=O)OC2CCCCCC2)[C@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 1508724 BFRLHYLKJMAIOY-DEOSSOPVSA-N 434.536 5.160 0 40 IKAB CCCCCCNC(=O)c1cc2c([nH]c3ccccc32)c(-c2cc(OC)ccc2OC)n1 2130500 PTBXNQPKGYPCIZ-UHFFFAOYSA-N 431.536 5.710 0 40 IKAB biogenic CC(C)Sc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2271407 IIJSMTNWRGSCDZ-KRWDZBQOSA-N 426.651 6.158 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)C1CCCCC1 2301968 YOAAQGYVTZAEBG-HZPDHXFCSA-N 440.897 5.602 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccc(Cl)cc4)ncnc32)cc1 2714338 WAFUDRDRAWDFRY-UHFFFAOYSA-N 438.962 6.704 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nc3c(c2=O)SCC3)cc1 2719786 FSLHKCDMAKGGGP-UHFFFAOYSA-N 434.508 5.500 0 40 IKAB FC(F)(F)c1cccc(CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)c1 2969588 ZIPFOOVIUKWPLC-UHFFFAOYSA-N 436.462 6.256 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1Cl 3012893 SJWWGBKWTLRJPC-CZUORRHYSA-N 440.809 5.051 0 40 IKAB c1ccc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)cc1 3265908 CQJAXYLZKIVMRI-UHFFFAOYSA-N 433.540 6.100 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)C(C)C 3597775 SQPXHQXODBNHRU-UHFFFAOYSA-N 443.016 5.384 0 40 IKAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410603 YCBVDJJTBFIXDU-PKOBYXMFSA-N 447.604 5.191 0 40 IKAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)c2ccccc2)sc(-c2ccccc2)c1Cc1ccccc1 6599501 DNFOUYUSLYCCNP-UHFFFAOYSA-N 441.552 6.435 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1F 8758356 ZFIFKZSAQMQWLY-LJQANCHMSA-N 429.495 5.165 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)[C@H]2CCCN(C(=O)Nc3ccccc3)C2)cc1 9054311 QZINUEPRGFBGKC-URXFXBBRSA-N 435.568 5.083 0 40 IKAB COC(=O)c1cc(CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)oc1C 9056289 VCPBVIZXSKRPOM-UHFFFAOYSA-N 449.532 5.232 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9159036 LKOULUVEGIFPMG-RDPSFJRHSA-N 434.879 5.320 0 40 IKAB Clc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9291884 HQRPJHDTNALSAM-TZIWHRDSSA-N 438.756 6.599 0 40 IKAB CCCN(C(=O)Nc1ccc(F)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607016 GNQHWUTYQTUNIP-UHFFFAOYSA-N 437.584 7.445 0 40 IKAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 10156908 LIUCBHXXKCPMJW-IBGZPJMESA-N 430.939 5.789 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(C)c2C)nc2ccccc2c1=O 10316063 JSJXKFJSIITRHG-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1cc(C)on1)C3=O 11614342 ILWVPPPPMJIFCC-LJQANCHMSA-N 441.270 5.454 0 40 IKAB COc1ccc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OCc1ccccc1 12572856 HZPZYAYYTJDLDS-MHZLTWQESA-N 433.511 6.263 0 40 IKAB Cn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccc(F)cc1 12796526 LYAOXBKGSWQZDY-UHFFFAOYSA-N 428.492 5.281 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@H](C)O2 12897214 NYICAORCBXAPCB-NSHDSACASA-N 447.438 5.109 0 40 IKAB COc1ccc(CN(C)Cn2nc(-c3ccccc3Cl)n(C3CCCC3)c2=S)cc1 13096078 MQOLKMAEXWOKFJ-UHFFFAOYSA-N 443.016 5.948 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)s1 13149576 UTZZBWIVBNQJJM-UHFFFAOYSA-N 437.590 5.431 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(OCc2ccccc2Cl)cc1 13687780 DTZOSTMRTIDGEC-UHFFFAOYSA-N 434.692 6.073 0 40 IKAB CCN(C(=O)c1ccccn1)C1(C(=O)NC(c2ccccc2)c2ccccc2)CCCCC1 13940626 RJQYUOUKAWDHAM-UHFFFAOYSA-N 441.575 5.152 0 40 IKAB COc1cccc([C@H]2S[C@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13995361 UQYJHHINUISCIB-ZUOKHONESA-N 443.956 5.015 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14269977 IFNQQWFASHFSTH-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB COCc1nn2c3c(nnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 14607744 XZNHVUCLZKRERE-OZSKJFCKSA-N 444.922 5.050 0 40 IKAB Fc1ccc(-c2cc(-c3ccc(F)c(F)c3)nc(-c3ccc(C(F)(F)F)cc3)n2)cc1 14944329 UHOFJTGWNYUIDQ-UHFFFAOYSA-N 430.351 6.914 0 40 IKAB O=C1N(c2ccc(Br)cc2)[C@@H](c2ccc(Br)cc2)C12CCCCC2 15305224 GTHFAZOTUFPODE-SFHVURJKSA-N 449.186 6.250 0 40 IKAB CCOc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CC[C@H](C(C)(C)CC)C3)N1 15946158 RBTXLRLOHAHMCJ-BXKMTCNYSA-N 448.632 7.270 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 17098550 LAAFVEHIJZWQPR-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccc(Cl)cc1 18084535 FMOSHKWMZZHYAP-XDZVQPMWSA-N 441.958 5.621 0 40 IKAB CCc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 19636709 COJGUOSVDGTCDK-UHFFFAOYSA-N 442.562 6.984 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20048222 GBCKROWIAYHNQO-QFIPXVFZSA-N 448.415 6.354 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1ccc(C(C)C)cc1)C2 20634879 FDQOKZACZUFQCT-FQEVSTJZSA-N 437.547 5.816 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2C)cc(Cl)c1OCc1ccccc1 20880833 XCGKJZGMSWNOIF-UHFFFAOYSA-N 425.912 5.936 0 40 IKAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1 22507680 KBGZFQBZVXTVDG-UHFFFAOYSA-N 435.527 5.641 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(CSc2ccccc2)cc1 22523117 OLEPNTRCHWGGNQ-UHFFFAOYSA-N 448.440 7.158 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)c1 27792562 MTYPGQAPGCNVFV-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1nc(-c2ccc(NC(=O)CCc3c(C)nc4c5ccccc5nn4c3C)cc2)co1 32776593 YQTTVGJWQVEPSR-UHFFFAOYSA-N 425.492 5.034 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N[C@H](c1ccc(F)cc1)C1CCCC1 32935120 ACGOQXJLRCGHNV-QFIPXVFZSA-N 427.907 5.509 0 40 IKAB Cc1cc(N[C@@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 33678729 YUUIRIHCCSBENU-PBOSXPJTSA-N 426.772 5.278 0 40 IKAB Cc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1C 35533872 NGIMWROWZSSUJA-UHFFFAOYSA-N 434.971 5.894 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccccc2Cl)CC1 39757972 BQHOPSRVZNYZJO-UHFFFAOYSA-N 434.967 5.770 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1 41156007 CIFIMYPMDAYFAR-UHFFFAOYSA-N 439.302 5.259 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44937265 YCJAWBCHKVBDFY-DEOSSOPVSA-N 429.004 5.464 0 40 IKAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 57313671 HIXADKIZPMYZGV-UHFFFAOYSA-N 426.712 5.429 0 40 IKAB COc1ccc(N[C@@H](CC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 59371637 XECDCZWFKBSFRT-QFIPXVFZSA-N 440.337 5.893 0 40 IKAB O=C1S/C(=C\c2ccc(I)cc2)C(=O)N1c1ccc(Cl)cc1 59459831 WHKWVQNSWCZBJI-ZROIWOOFSA-N 441.677 5.186 0 40 IKAB CC(C)Oc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 72330421 PFRUPJQXTWCCGR-BWKNWUBXSA-N 449.620 5.314 0 40 IKAB O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349456 RDJVVZVVDSMEDB-HXUWFJFHSA-N 439.481 5.035 0 40 IKAB COc1ccc2c(c1)c(C(=O)Nc1ccc3c(c1)NC(=O)CS3)c(C)n2C1CCCC1 78874924 RLRAOYJFGCRJOJ-UHFFFAOYSA-N 435.549 5.370 0 40 IKAB O=C(Nc1cccc(N2CCCCC2)c1)C1(c2cccc(C(F)(F)F)c2)CCOCC1 89774517 QENURSSUECNXHZ-UHFFFAOYSA-N 432.486 5.383 0 40 IKAB C[C@@H](NC(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 89904492 XVEQNRLOLYWCFS-LLVKDONJSA-N 447.347 5.520 0 40 IKAB COc1cc(F)ccc1-c1ccc2nc(C3CCN(Cc4sccc4C)CC3)nn2c1 96267324 RRKHNIFSLUINBW-UHFFFAOYSA-N 436.556 5.294 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H]1C(c3ccccc3Cl)=NO[C@H]1C)oc1ccccc12 100281910 ISEJCPCYDHLLGM-WHEQGISXSA-N 434.879 5.626 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccc(C(C)C)cc4)C3=C(O)C2)c(OC)c1 102665282 QPJUJBIYVDBKKG-BVZFJXPGSA-N 444.535 5.484 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 103005102 VPZXOEQOXCPJFL-LFVJCYFKSA-N 440.499 5.120 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 106544823 BUEGFNKQFJKTRH-IVZQSRNASA-N 439.581 5.396 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 214628686 PNNFPSWLIOYEAD-FYJGNVAPSA-N 433.485 5.278 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1C 218803073 ODPPUKRLUDZTMO-FQEVSTJZSA-N 428.579 5.047 0 40 IKAB CC(C)Oc1cccc(CNC(=O)COc2ccc3ccccc3c2Br)c1 218903994 ANUGQNQEAFISEM-UHFFFAOYSA-N 428.326 5.085 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cccc(OCc2ccccc2)c1 218976574 XAWAKWOBMJLBOH-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222721695 HODGRZURRLRKPL-UHFFFAOYSA-N 425.381 5.394 0 40 IKAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223065359 QNULSBYUWUCDBN-MHZLTWQESA-N 442.603 5.032 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(OC)cc1 223719178 BBLVVUFYZDNFSH-LEYFIJQKSA-N 434.561 5.104 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224223969 YBSKRNZLJVSRTR-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224229117 HPFFTLKOQNHEEG-DQEYMECFSA-N 440.572 5.366 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)c1 224303635 VXJOGWKYQMFINH-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB CC[C@@H](NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 224336426 GIWDFYUDBMQRPM-JOCHJYFZSA-N 442.968 5.046 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224554200 GJQWVUIXJDIRJH-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccc(C)cc1 224662543 KODCWOBCFUOKCI-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224726681 FXIJXSZJYYNKHL-HSZRJFAPSA-N 448.651 5.917 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COCc1ccccc1 224747794 LLBUYRKLUAEWDC-UHFFFAOYSA-N 430.331 6.361 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2sccc2C)ccc1Br 224918268 JOVROTAAZXLZKC-ZWKOTPCHSA-N 444.423 5.700 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3ccc(Cl)cc3Cl)cc2)n1 225287090 LNHVYLDJNYTWLC-UHFFFAOYSA-N 448.419 5.518 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225352297 FOHXLARDABCOJF-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 225606503 HJXVYQSYCKAPTJ-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257201766 AIZMIALOQGRGRN-LJQANCHMSA-N 426.948 5.307 0 40 IKAB Cc1cc(C(F)F)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257236891 HEFWUBORUAYLEM-SFHVURJKSA-N 448.901 5.115 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 260762893 HVBXVPCBGLKPCX-IFZYUDKTSA-N 444.387 6.628 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Br)cc1 408563682 WOVLEMAYOSUFCB-LNVKXUELSA-N 445.382 5.311 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408641189 LAEKWLDSTBUHIK-NSHDSACASA-N 442.140 5.056 0 40 IKAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408706785 DQUXUQZYWNBWRK-FHERZECASA-N 425.400 5.458 0 40 IKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408804263 WPGWXXWETYXXIH-UHFFFAOYSA-N 435.956 5.990 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(C)c(C)c1 408822602 BJJQFYGBGGAELI-UHFFFAOYSA-N 429.383 6.394 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409011054 FRCHTXYMVYMSBI-BXUJETTOSA-N 446.366 5.863 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)cc1 409164483 JEYUPILLZZBPLI-UHFFFAOYSA-N 438.597 5.119 0 40 IKAB CCc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 409173401 MEJBJRNYCNDJRX-UHFFFAOYSA-N 443.546 7.411 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409184677 ZDYHZMUBFHPRQW-UHFFFAOYSA-N 432.259 5.170 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 409378210 NILRHGNVUJJCOL-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 524729988 QDTHBJRRNHWFTN-RGXZNCPUSA-N 443.591 5.906 0 40 IKAB biogenic CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)c(F)c3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264786 MWMCUBZBCVEFFY-GXBNZEJLSA-N 444.518 5.868 0 40 IKAB CCN1CCCCN(C(=O)c2ccc(C)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643550605 CQZGZOMZWXUWJH-NOZRDPDXSA-N 434.580 5.083 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)COc1ccccc1 643582281 QAGROHAWIPKMBD-DEOSSOPVSA-N 444.575 5.513 0 40 IKAB COc1ccc(-c2c(C(C)=O)c(C)nc3sc4c(c23)N[C@H](c2ccccc2)NC4=O)cc1 643026 NWGBDJCQZITLBB-QHCPKHFHSA-N 443.528 5.337 0 40 IKAB O=C(NCCC1=CCCCC1)c1cc(-c2ccccc2)nc2ccc(Br)cc12 651867 XGKYGXSVHQMQCI-UHFFFAOYSA-N 435.365 6.285 0 40 IKAB COc1ccc(C(=O)Nc2nnc(SCc3ccc(C(C)(C)C)cc3)s2)cc1OC 679525 VDFQEAPOXOEQGX-UHFFFAOYSA-N 443.594 5.397 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 885047 BIEWRPNHWVJOBH-QFIPXVFZSA-N 449.620 5.140 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 886650 FUTUOMANNRWKBC-SFHVURJKSA-N 444.560 5.376 0 40 IKAB CCn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(O)cc1 886728 WLUQJWDQXAZKGP-SFHVURJKSA-N 444.560 5.516 0 40 IKAB O=C1/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC(=S)N1c1cccc(F)c1 1060672 VTQLZGLULGXXFO-WOJGMQOQSA-N 426.450 5.400 0 40 IKAB S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 1160554 NKVVUVQWCGNEHZ-UHFFFAOYSA-N 426.501 5.636 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)ccc1C 1357890 ZAAMZVKSFSQXFT-UHFFFAOYSA-N 428.583 5.004 0 40 IKAB C[C@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 1388759 OCBWAOBMYRODIL-INIZCTEOSA-N 428.164 5.123 0 40 IKAB O=S(=O)(c1ccccc1)c1cnn(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 1396983 DPANOXJVVWVZHC-UHFFFAOYSA-N 429.328 5.679 0 40 IKAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1C 1463717 PTUUXCANDYVZNN-UHFFFAOYSA-N 443.480 5.606 0 40 IKAB biogenic c1ccc2c(c1)NC(c1ccc3c(c1)Sc1cc(C4Nc5ccccc5N4)ccc1O3)N2 1578535 VUIKVJDOJXTPKC-UHFFFAOYSA-N 436.540 7.016 0 40 IKAB CC(C)OC(=O)c1cccc(CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 1792226 YYBLJSUXTGUVTD-UHFFFAOYSA-N 436.558 5.509 0 40 IKAB COC(=O)c1c2c(cc3c1C[C@@]1(Cc4cc5c(c(C(C)=O)c4C1)CCCC5)C3)CCCC2 1855664 VVJDYOLCEIQYJL-LJAQVGFWSA-N 428.572 5.317 0 40 IKAB CCCCN(CCCC)C(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2086087 KJBDODCHMXUBQR-UHFFFAOYSA-N 439.397 6.707 0 40 IKAB CCCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1 2107702 DHWNQTFBZCGNLN-UHFFFAOYSA-N 434.344 6.541 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC 2429980 GAIFQJUMMQVZQQ-UHFFFAOYSA-N 432.451 5.252 0 40 IKAB biogenic C[C@@H](OC(=O)c1ccccc1Oc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 2634609 NWBRMVHIQCNKKB-OAHLLOKOSA-N 429.394 5.682 0 40 IKAB CCc1ccc(-c2csc(NC(=S)NC(=O)c3ccc(N(CC)CC)cc3)n2)cc1 3188347 WWXKVXDSYNWMJV-UHFFFAOYSA-N 438.622 5.346 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)c1 3266824 XJTSCQTUMMWQRG-IBGZPJMESA-N 444.575 5.798 0 40 IKAB CN(C)C(=O)COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3322630 KVENPFXBTRGLQV-UHFFFAOYSA-N 437.710 5.107 0 40 IKAB S=C1N[C@@H]2c3cc(Br)ccc3O[C@]3(CCC[C@H]23)N1c1cccc(Cl)c1 4767749 LWZPLZNHNPFDOQ-SUMDDJOVSA-N 435.774 5.427 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)c(C)c4)cs3)[C@@H](c3ccco3)C2)cc1 8443300 HLPFCWGVNDBBLL-HSZRJFAPSA-N 429.545 6.384 0 40 IKAB COc1ccc(C(=O)Oc2cc(C)c(Br)cc2C(C)C)cc1Br 8722504 KSJLUBPFUSPPPF-UHFFFAOYSA-N 442.147 5.871 0 40 IKAB Cc1ccc(-n2nc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1C 8857156 GCEXVKMQEANHJE-UHFFFAOYSA-N 428.879 5.373 0 40 IKAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 8921745 OWTPWMGPJHCQBY-IBGZPJMESA-N 441.484 5.091 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@@H]2CCCO2)cc1 8971090 BMBWFILNKMNTHH-FQEVSTJZSA-N 444.535 5.088 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)CCCOc3ccc(Cl)cc3Cl)n2)c1 9095314 RRULPZAOIKUWFI-UHFFFAOYSA-N 434.323 5.169 0 40 IKAB NC(=O)N[C@H](CC(=O)Nc1cc(Cl)ccc1F)c1cccc(Oc2ccccc2)c1 9170530 MDSIHSNEYBSNAB-LJQANCHMSA-N 427.863 5.010 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@H]1c1cccs1 9222833 QWDWFQBAONGDDQ-KRWDZBQOSA-N 436.587 5.223 0 40 IKAB O=c1cc(CSc2nnc(COc3ccccc3Cl)o2)c2cc3c(cc2o1)CCC3 9584204 UVWYWSFOKPTADR-UHFFFAOYSA-N 440.908 5.189 0 40 IKAB COc1cccc(-c2cc(C(F)(F)F)nc(-n3nc(C(F)(F)F)cc3C3CC3)n2)c1 9597973 SNLBKWIKGQGRKT-UHFFFAOYSA-N 428.336 5.253 0 40 IKAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(-c2ccco2)nc2ccccc12 9634589 VANCLSVFXNJLKI-UHFFFAOYSA-N 431.835 5.555 0 40 IKAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3sccc3-c3ccccc3)n2)cc1 9728360 RDFWAOCCPYEPRG-UHFFFAOYSA-N 447.585 5.470 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(/C=C/c4ccccc4)cc3)sc2c1 9849662 IQOMQJIFFGKSSW-CMDGGOBGSA-N 446.597 6.596 0 40 IKAB O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1ccc(OC(F)(F)F)cc1 9854397 VQUBJCWQTJGWRN-UHFFFAOYSA-N 444.438 5.487 0 40 IKAB O=C(Cc1csc(-c2cccs2)n1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 10696030 CFLZBUMAIJIMNE-FQEVSTJZSA-N 443.597 5.844 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)cc1 10748067 QOIIVVORVWMCSP-UHFFFAOYSA-N 436.533 6.386 0 40 IKAB CC(C)(C)C1CCC(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)(C)C)CC3)cc2)CC1 11027078 DUXRLKLUVGBJCL-UHFFFAOYSA-N 442.640 7.202 0 40 IKAB O=c1oc2cc(OCc3cccc(Oc4ccccc4)c3)c(Cl)cc2c2c1CCCC2 11866698 XUFJSNLZQGLUON-UHFFFAOYSA-N 432.903 6.697 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1)c1cccnc1 12237326 JYDSMTSRRFYGRJ-UHFFFAOYSA-N 446.576 5.317 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](CSc3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2)cc1 12338599 ZIPSXGCDAIGLJZ-FCHUYYIVSA-N 427.491 6.510 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc4cc5ccc(OC)cc5nc4s3)n2)cc1 12540220 YHVUJWNLTKLGOW-UHFFFAOYSA-N 447.541 5.843 0 40 IKAB COc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1OC 12745121 RVJUFAUPRSSCSE-UHFFFAOYSA-N 444.556 5.988 0 40 IKAB COC(=O)c1cccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)c1 12916456 RCNMFLZCNGIQEC-UHFFFAOYSA-N 430.460 5.063 0 40 IKAB O=S(=O)(CO[C@H]1/C(=C/c2ccccc2)COc2ccccc21)c1ccc(Cl)cc1 12959362 OFFNSXCBNITLCT-OTRAAIJSSA-N 426.921 5.305 0 40 IKAB CCc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 13365548 QRNMYVVVMLJWMM-OAQYLSRUSA-N 432.911 5.864 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(CCc1ccccc1)C(=O)c1ccccn1 13502061 OIGPRJSVMSLLFU-DEOSSOPVSA-N 447.604 5.018 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14059356 DHSGNCNDFOCGHS-UHFFFAOYSA-N 430.356 6.345 0 40 IKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14094259 JTUWFWJBUUIGHI-UHFFFAOYSA-N 439.968 5.896 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 14272139 LWWUTFKIAYSCSY-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB CCCNc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)oc2ccccc12 15951919 HPTXRCYDASIAJZ-UHFFFAOYSA-N 440.565 5.463 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1 16750066 XCJMCKGUUFDNBF-UHFFFAOYSA-N 442.496 6.143 0 40 IKAB COc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCCC2)c(OC)c1 16768944 LXGAWHTZYBHAFO-UHFFFAOYSA-N 445.357 5.128 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccccc3)n2)cc1 16842934 HFPJLSHMTJALSS-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 17094333 MACKPRPEZVGVIQ-JTQLQIEISA-N 425.381 5.557 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)cc3)oc2c1 17099849 LWTVUVGUJXAVOC-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CC(=O)c1sc(NC(=O)c2sc(-c3ccc(F)cc3)nc2C)nc1-c1ccccc1 17344416 YRQMLRJNMRBCAI-UHFFFAOYSA-N 437.521 5.836 0 40 IKAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 19687426 IUEKCLUDXWQRKE-DEOSSOPVSA-N 427.527 5.234 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1 19947639 QDRXDBHQWSSWFA-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20152900 NVFFWTCTFISARI-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2c(F)cccc2Cl)c(OC)c1 22109946 GYIXYMYDBDYJBL-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB CC(C)(C)c1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1 25392537 RJFQCRCPGRJLBS-UHFFFAOYSA-N 437.609 5.492 0 40 IKAB Oc1ccc(/C=C/c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1 25694437 GRCMPWDXDVUTIZ-VAWYXSNFSA-O 427.523 8.438 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2ccc(N3CCCCC3)c3ccncc23)s1)c1ccco1 30013342 UKLIIXJNHGMGOR-UHFFFAOYSA-N 446.532 5.384 0 40 IKAB C[C@@H]1C[C@H]1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1 30151212 DVONWJGJLIGIAR-MLGOLLRUSA-N 426.866 5.678 0 40 IKAB Clc1cc(I)c(OCc2nc3ccccc3o2)c2ncccc12 31790188 KWOBBTVDHSHRJB-UHFFFAOYSA-N 436.636 5.213 0 40 IKAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)c1ccc(-c2ccc(F)cc2)s1 32719083 XYGYCHJGCGIWII-UHFFFAOYSA-N 444.944 5.740 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3cccc(Br)c3)C[C@H]12 36612002 NKLBOHZLKULONG-UUTODYQQSA-N 443.469 7.236 0 40 IKAB O=C(Nc1ccc(Oc2cccc(F)c2)nc1)Nc1ccc(Oc2cccc(F)c2)nc1 69442424 NIZJLKBQGPCSRM-UHFFFAOYSA-N 434.402 5.983 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1ccc2oc(C)cc2c1 72370396 ZPDHPIQJBAUZKG-IBGZPJMESA-N 446.572 5.553 0 40 IKAB CC(C)(C)c1cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)cc(C(C)(C)C)c1 96193784 DLAZFKJERGWDCP-UHFFFAOYSA-N 430.577 6.861 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 101191846 CGGJPQBOGMMGRQ-ZJQBRPOHSA-N 446.926 5.661 0 40 IKAB Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3Cl)n3nc(C(F)(F)F)nc3N2)cc1 102564398 DCXCQAJNLSJJKK-OAHLLOKOSA-N 429.204 5.799 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 102717185 QNLQEZCOMBQHPE-OTWHNJEPSA-N 445.327 5.106 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1OC 103009640 JNOOFDPCFXLRJZ-VABKMULXSA-N 445.317 6.066 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 222713731 HVBXVPCBGLKPCX-LVXYXVKQSA-N 444.387 6.628 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222935822 QSWYYTUYBWKBCK-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 223018045 HCFFWJZOBCFJHU-KRWDZBQOSA-N 435.973 5.562 0 40 IKAB CC[C@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc2c(c1)CCCC2 223024186 JPABVWCHGVESEE-MHZLTWQESA-N 429.629 7.047 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223212978 PZUHAVLGWARIFC-QHCPKHFHSA-N 438.612 5.021 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 223221068 BIJIIIGDIFAZAM-UHFFFAOYSA-N 435.898 6.581 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 223947011 NBJQLMUOJPUQAK-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 224049831 MKFGYEUEODQYLL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 224242554 WXAXGBWFTIPJAE-XMMPIXPASA-N 438.637 5.262 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224315315 PPMJOPRWEMTHRF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COCc1ccccc1 224356756 WILHQJQVKKDCNZ-UHFFFAOYSA-N 439.511 6.457 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225374469 KDOTXIWXNGMECM-NHCUHLMSSA-N 438.612 5.083 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCCC2)cc1 225542313 CSPLCZJVYRAQFD-UHFFFAOYSA-N 434.624 5.946 0 40 IKAB CCc1c(CN2CC[C@H](c3c(C(=O)NC)sc4ccccc34)C2)c2ccccc2n1C 257202647 AMSSARRNGSKDOJ-KRWDZBQOSA-N 431.605 5.305 0 40 IKAB CC(C)C[C@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257213736 CIWSVYCDRUIRAN-RIPRBREISA-N 442.983 6.414 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 260778384 RLNZYHXWFPDVDK-OREJSRFESA-N 426.948 5.644 0 40 IKAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 408527373 DIZJJMNWRGIXHM-IIMQCXAKSA-N 447.597 5.365 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Br)cc1 408561334 HXPIMUOCIRNFKO-LNVKXUELSA-N 429.383 5.611 0 40 IKAB Cc1c(Br)ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 408646059 VKROJRNSFHVINP-QGZVFWFLSA-N 437.337 5.211 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cc(C)ccc2C)c1 408697608 ILRISOPALVFJAB-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(Br)c2)C1=O 408812425 NAMRFGCWQLCLQS-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409141078 UAZHCADGMRCBMW-WOJGMQOQSA-N 438.332 5.255 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 409201763 NZAKTQSSBRRSTM-ATVHPVEESA-N 431.535 5.119 0 40 IKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Br)Nc1ccccc1 409254869 JJYPHAJEVUJPBC-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB Cc1cccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1C 409272796 SKMVLVCXPXMPHO-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(O)COc1cc(F)ccc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 585264845 QOAHIHBOHIGJGE-UHFFFAOYSA-N 436.870 5.521 0 40 IKAB CCN1CCCCCCCN(C(=O)CC2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583479 WICSUINKYODZDG-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB C[C@@H]1CCCC(=O)CCCC=Cc2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 1614467722 JZZDETIWJLYTEL-QGZVFWFLSA-N 442.939 6.106 0 40 IKAB biogenic Cn1cc(CN2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c2ccccc21 1848357338 HIJSLYUXDKGSQK-HXUWFJFHSA-N 431.530 5.822 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Br)cc1 849956 AEXBCCVXODNTFS-UHFFFAOYSA-N 446.300 5.704 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 894900 KROWOXGSMGNLCL-UHFFFAOYSA-N 441.600 5.798 0 40 IKAB CCCc1nc(SCC(=O)Nc2cc(Cl)ccc2OC)c2c(C)c(C)sc2n1 1372174 PJODLZSNPQZYPC-UHFFFAOYSA-N 436.002 5.653 0 40 IKAB C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381866 JVANRRBBQNGHCR-AWEZNQCLSA-N 443.305 5.715 0 40 IKAB CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2ccc(Cl)cc2)c1 1394761 FUHDJKFDADFEJZ-UHFFFAOYSA-N 443.912 5.073 0 40 IKAB COC(=O)c1c(-c2ccccc2)noc1-c1cnc(-c2ccccc2)nc1C(F)(F)F 1397994 SSSOEQCJSHKIHV-UHFFFAOYSA-N 425.366 5.271 0 40 IKAB Cc1c(Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(=O)n(-c2ccccc2)n1C 1455166 RJXQIMYKXQAJKG-UHFFFAOYSA-N 431.348 5.658 0 40 IKAB Cc1cc2oc(=O)c(Cc3ccccc3)c(C)c2c2occ(-c3ccc4ccccc4c3)c12 2145761 JTXMQTCCCJQBSX-UHFFFAOYSA-N 430.503 7.567 0 40 IKAB biogenic CCc1nc(SCC(=O)N[C@H](C)CCc2ccccc2)c2c3c(sc2n1)CCCC3 2342917 HMHWWYRBORXKKV-MRXNPFEDSA-N 439.650 5.362 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(F)cc1)N(c1nnc(CC(C)C)s1)C3=O 2434745 PVSAMPRIZAZPKO-HXUWFJFHSA-N 449.507 5.040 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC)cc1 2452869 HSTUZTNMIUDKME-UHFFFAOYSA-N 428.989 5.692 0 40 IKAB Cc1ccccc1Cn1cc(S(=O)(=O)c2ccc(C(C)C)cc2)c(=O)c2cc(F)ccc21 2694386 BYTDIEBPPAGUPD-UHFFFAOYSA-N 449.547 5.454 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)Nc1ccc(F)cc1 2748016 RSMDZCADPYWMSN-UHFFFAOYSA-N 433.266 5.402 0 40 IKAB O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@H]1CCCO1 3163999 PDFINVHQUYHSJC-BXKDBHETSA-N 436.550 5.007 0 40 IKAB O=C(O)/C(=C\c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)NC(=O)c1ccccc1 3239322 XUJOARVWZDAQRX-PXLXIMEGSA-N 443.890 5.048 0 40 IKAB Fc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1cccnc1 3346579 NXJXDOVZADRXTG-UHFFFAOYSA-N 430.430 5.780 0 40 IKAB O=C1CN([C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c2ccccc2N1 3359334 FMHLIJKKZLMBLC-NRFANRHFSA-N 426.303 5.132 0 40 IKAB CN(C)CCCNC(=S)NC[C@@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 3414977 RYOMGTNXPFHHBB-SFHVURJKSA-N 449.451 5.022 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1 5946777 DHVGORMVEPYKIZ-UHFFFAOYSA-N 446.532 5.114 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 8755879 IKQFZFFUAOIHOX-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 8831026 GDEICIIXWBEQBO-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c1 8922623 GSDZZEPAAQFAAK-SANMLTNESA-N 433.935 5.273 0 40 IKAB COc1cccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@@H]2CCCO2)c1 8973138 SXYJKHDYDCTLEN-FQEVSTJZSA-N 444.535 5.088 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccc(OCc2ccccc2)cc1 8986060 BKNWBZBEQTWBCM-KMRXNPHXSA-N 434.539 6.593 0 40 IKAB C[C@@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc(-c2ccccc2)cc1 9056822 UOLXJNIVUMHQEU-QGZVFWFLSA-N 432.524 5.043 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 9062763 RJSSSYNUMDKWNE-UHFFFAOYSA-N 446.994 5.227 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(O)c1 9064838 WALTYADHEAIQQM-QPJJXVBHSA-N 447.343 5.794 0 40 IKAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(-c2ccccc2)cc1 9109529 AVSLGQISYQWJDW-UHFFFAOYSA-N 436.540 5.517 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)sc2c1 9226536 BVXFOURYMXSSRM-UHFFFAOYSA-N 438.405 6.073 0 40 IKAB CCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1OC 9409258 UQIRHTJVJTVLAR-VWLOTQADSA-N 449.551 5.315 0 40 IKAB Clc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 9763799 QEQKJNMIEUJOOM-UHFFFAOYSA-N 442.371 6.412 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 10445218 WGTNSFZSXOJJNV-LBPRGKRZSA-N 448.391 5.054 0 40 IKAB O=C(CSc1nnnn1-c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1 12273965 XQVLXUKEQATGFF-UHFFFAOYSA-N 431.304 5.204 0 40 IKAB Cc1occc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCN(c2ccccc2)CC1 12372518 XCTBLSMXYNYKOE-UHFFFAOYSA-N 429.442 5.186 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(SC(F)F)cc1 12578639 AVMHLBCQPYUTSW-UHFFFAOYSA-N 441.528 6.071 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](C)c1ccccc1 12659400 IEIBAPNQGPRFSL-SILGLVTRSA-N 441.656 6.297 0 40 IKAB biogenic O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 12751201 IFEJGMDAOASLLD-HSZRJFAPSA-N 444.556 5.618 0 40 IKAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccccc1Br 12752806 UDKQHYOBRQRNHD-GFCCVEGCSA-N 444.354 5.200 0 40 IKAB S=C(Nc1ccc(Cl)c(Cl)c1)Nc1nn(Cc2ccccc2Cl)cc1Cl 13330776 DVEWLINXDDVDIU-UHFFFAOYSA-N 446.190 6.354 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13498419 FKWGVGKCZFPIMM-RUZDIDTESA-N 432.589 5.432 0 40 IKAB O=C(Nc1nnc(COc2ccc(Br)cc2)s1)C12CC3CC(CC(C3)C1)C2 13570534 YUPOMHDZPFJSPL-UHFFFAOYSA-N 448.386 5.035 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@H](c2ccc3nccnc3c2)C1 13687294 YDOXYWKDENPJCZ-QHCPKHFHSA-N 442.906 5.283 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C[C@H]2CCCO2)c1 13942496 OIIDYAJILYHOFN-HRFSGMKKSA-N 438.527 5.568 0 40 IKAB Cc1ccccc1OCc1n[nH]c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 14067979 IAXIZQITPQRHJX-JOCHJYFZSA-N 448.523 5.303 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1c(Cl)cccc1Cl 16196268 BDNXHUWMMFWCPA-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB CC(C)N(C(=O)Cn1nc(Cc2ccccc2)n(-c2ccccc2)c1=S)c1ccccc1 16769198 ISZLEYUROLNQTA-UHFFFAOYSA-N 442.588 5.436 0 40 IKAB CN1CCc2c(sc(NC(=O)c3c(F)cccc3F)c2-c2nc3ccccc3s2)C1 16916135 XGYSDJVERWJYGI-UHFFFAOYSA-N 441.528 5.543 0 40 IKAB CCCCc1ccc2nc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)sc2c1 17099445 LFWYMFQGDYRWPQ-VQHVLOKHSA-N 435.376 6.606 0 40 IKAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17101836 YWSFBQHTICVMLJ-UHFFFAOYSA-N 437.977 5.672 0 40 IKAB CCn1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(F)cc2)nc2ccccc21 19689345 VVOKUEUFDRHZBU-QHCPKHFHSA-N 444.558 5.055 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C 19765585 OTFHTQXZJSIUBA-XMMPIXPASA-N 432.543 5.020 0 40 IKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139970 NVXFQBJSKRGKLN-UHFFFAOYSA-N 445.085 6.511 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(Cl)c(C(=O)O)c1 20151066 DILDJFTVCCKRJQ-RMKNXTFCSA-N 435.785 5.969 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(Br)c1 22072344 RAMCTBMDFOKBGR-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)c3cccc(OCc4ccccc4Cl)c3)n2)c1 22255377 YDYXZKGHNNNHSQ-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 22574390 RXYISBMZSGYRMX-UHFFFAOYSA-N 436.964 5.896 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC[C@@H](c1ccco1)N1CCCC1 22918663 CLQYBJAATWHCJL-QFIPXVFZSA-N 447.410 5.375 0 40 IKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1cccc(-c2nnco2)c1 23146746 KSIHSULDVQPDBP-UHFFFAOYSA-N 435.281 5.122 0 40 IKAB C[C@@H](NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 25501160 YCAFDTUMLQAHHE-LJQANCHMSA-N 448.998 5.115 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 27993821 AKNPMDMQFVTFOZ-INIZCTEOSA-N 444.984 5.215 0 40 IKAB CN(C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@@H]1CCCc2ccccc21 29258967 YUYQQPCGCDAPCI-IEBWSBKVSA-N 434.483 5.044 0 40 IKAB CCOc1cccc([C@@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)c1 32593604 XAZFLAOCVCXSHU-AREMUKBSSA-N 437.543 5.540 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCc2nc(-c3ccc(Cl)cc3)no2)sc(C)c1C 33317490 WHIQGFWMSKXWRG-UHFFFAOYSA-N 447.944 5.206 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCC 33785103 KRUMHNSPYWFAIV-UHFFFAOYSA-N 447.156 6.196 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 35385967 HNRUUAVUTGIKBS-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44880854 KQMQTKUGIYHCDO-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)C(c3ccccc3)=NC23CCC(C)CC3)cc1 71327922 JQESQJQTYOEHQO-UHFFFAOYSA-N 431.580 5.206 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2nsc(Cl)c2Cl)C1 72396217 RHGQUTVGHODAQN-AWEZNQCLSA-N 435.380 5.138 0 40 IKAB O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC[C@H](C(F)(F)F)C1 84358105 ZPDNXDNJMGCOEB-NSHDSACASA-N 447.226 5.190 0 40 IKAB Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4cc(C)c(C)cc4[nH]3)no2)c(C)c1 95481960 IHCZZPXPQNPUJF-UHFFFAOYSA-N 449.580 5.352 0 40 IKAB COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344420 GOHKROANVGVMEI-RUZDIDTESA-N 446.591 5.197 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864323 MOXDDWKSQCILQK-ANQGPHJPSA-N 430.598 6.237 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 106974718 JLWFXBIUIYTJRH-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(F)cc5)nc4c3)o2)cc1C 107697341 WWRYPXIBLBIWRD-UHFFFAOYSA-N 426.447 6.763 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)CC(C)(C)O2 218843794 MUPAKDYFDZCHOA-GOSISDBHSA-N 432.358 5.172 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 223807191 WYWGSNIJNDPMMC-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223994737 HOYUGGVPMJDPRH-ZEQRLZLVSA-N 445.592 5.134 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224096868 UOJDICFDIFABBU-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccc(C)cc1 224140827 ZGGSCISUWVJXAH-RUZDIDTESA-N 436.596 5.020 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 224295030 LZDWYUNYDSVJGG-QHCPKHFHSA-N 443.031 5.514 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1Cc1ccco1 224425511 HDQKZLJSSVFVDO-DNQXCXABSA-N 446.551 5.457 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 224529932 MQXHYAXXWBCNDS-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(Br)cs1 224554954 SLVLXJCPMQZLNS-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224638786 KVOQHROWBPUWTB-UHFFFAOYSA-N 445.946 6.401 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC1CCCCC1 224699245 KJJIOAXKVJHSBK-HSZRJFAPSA-N 448.651 5.917 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224904725 IDUSSTCJTDXSPT-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224917865 YDLZSECYZIMSEC-RBUKOAKNSA-N 428.355 5.231 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225103455 WHYTYYQPMKIVCC-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1 225340901 OOVKKUJBEJOBBE-XZOQPEGZSA-N 434.609 5.602 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2)cc1 225510331 GFUOKEXJNYMETA-FQEVSTJZSA-N 445.813 6.487 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 225628164 GWLYGOWOXFHEGV-KRWDZBQOSA-N 449.422 5.430 0 40 IKAB Cc1nc2c(C)cccn2c1CN1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257232491 GLBROZWTOZYZMT-QHCPKHFHSA-N 428.555 5.456 0 40 IKAB CCn1c(-c2ccc(F)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 408563686 WPJHPURVBQCQIB-ATJXCDBQSA-N 449.345 5.196 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)c1 408696720 DTNNGBVMAUCUJM-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)cc1 409181382 CBGGJXQSKVKSPR-LPYMAVHISA-N 447.560 5.460 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1cccc(Cl)c1 409215248 WBAONDSYOBMDGI-WOJGMQOQSA-N 449.837 6.860 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409253061 AMRFKVGJMUKWDR-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB COc1ccccc1NC(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848744 OAISUVFGARFMFV-UHFFFAOYSA-N 446.816 5.329 0 40 IKAB CCOC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)csc1NC(=O)c1ccco1 948448 XLHWFQPAVQJWNN-UHFFFAOYSA-N 433.485 6.229 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)ccc4C)coc3c2)cc1OC 948975 SUOMDWATTOGXKK-UHFFFAOYSA-N 446.455 5.439 0 40 IKAB biogenic Fc1ccc(-c2ccnc3nc(Sc4ncc(C(F)(F)F)cc4Cl)nn23)cc1 1382290 WRGGZEWYNRWDAX-UHFFFAOYSA-N 425.798 5.149 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC/C=C/c1ccccc1 1813350 GHFNBODGRQMYJR-RMKNXTFCSA-N 440.495 5.886 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCc4cccc(F)c4)n12)CC(C)(C)OC3 2210019 FHNVCPKLUBKYIZ-UHFFFAOYSA-N 446.598 5.344 0 40 IKAB Cc1nc(SCc2ccc(F)cc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2264266 IBPDPXJFVVELQE-UHFFFAOYSA-N 425.554 5.831 0 40 IKAB Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c(Cl)c1 2266522 SAZXSZOGHBZVNJ-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB Cc1cccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc23)c1 2290476 JAHQYFQSXMYERF-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB CCOc1ccccc1Oc1coc2cc(OCc3c(F)cccc3Cl)ccc2c1=O 2409550 KBCDGZNUZYCFTB-UHFFFAOYSA-N 440.854 6.356 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(Cl)cc2)cc1 2428270 STPZAWUPSMAURE-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB COc1ccc(OC)c(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c1 3321228 SRRZZJOHEXXYJR-UHFFFAOYSA-N 449.528 5.123 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2c[nH]c3ccccc23)c1 3352149 POGLLUQZESMBLB-UHFFFAOYSA-N 447.608 5.462 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3364588 OIAQZVHUZNHVGC-MRVPVSSYSA-N 431.732 5.155 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)c1 6143805 XXEFBXWTDBSDAS-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)cc12 6321710 CEMIMMURPDSJGS-IBGZPJMESA-N 433.621 5.525 0 40 IKAB Cc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 6407379 PEEJRTKTLZHGAV-QHCPKHFHSA-N 433.433 6.154 0 40 IKAB Cc1nc(SCC(=O)N[C@H](c2ccccc2)c2cccs2)n(C2CCCC2)c1C 7030996 SWGRPOOQACLXJJ-JOCHJYFZSA-N 425.623 5.674 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 8751238 WXRRCJCCFHBSIF-HOTGVXAUSA-N 439.556 5.009 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)/C=C/c1ccc(Cl)cc1 8831983 DWJAZXOCQFVXPQ-AWNIVKPZSA-N 446.934 6.932 0 40 IKAB O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1sc2ccccc2c1Cl 8994510 JDQWEBKQNHKOJL-UHFFFAOYSA-N 445.253 5.200 0 40 IKAB Cc1ccc(Cn2cc(C(=O)Nc3nnc(C4CC4)s3)c(-c3ccc(C)cc3)n2)cc1 9253772 MTIGMTYIELAVOZ-UHFFFAOYSA-N 429.549 5.196 0 40 IKAB CCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 9360416 NPDXNCLYKWHWPQ-RQZHXJHFSA-N 427.573 6.501 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1ccccc1Cl 9366804 ROHHUXKBFOQTFE-UHFFFAOYSA-N 440.775 5.499 0 40 IKAB O=C1CCc2cc(C(=O)CSc3ncnc4sc(-c5ccccc5)cc34)ccc2N1 9791396 PZQVTRVKZKBMRP-UHFFFAOYSA-N 431.542 5.218 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2cccc(-c3cc4ccccc4oc3=O)c2)cc1 9975317 HDYICDIMWQFKEA-LJQANCHMSA-N 438.527 6.091 0 40 IKAB Cc1cc(C)cc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)c1 10343826 RKINAOGTXKADNL-UHFFFAOYSA-N 430.861 6.737 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)OCC(=O)N1CCC(Cc2ccccc2)CC1 12311489 PHRBQAOULXSMMN-UHFFFAOYSA-N 441.571 5.233 0 40 IKAB COC(=O)c1c(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)sc(C)c1C 12469465 AHVNEWHDBLGBJX-UHFFFAOYSA-N 428.579 5.356 0 40 IKAB O=C(CCCSc1nnc(CN2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1 12607990 BQUFFJPDAAEEDC-UHFFFAOYSA-N 438.572 5.148 0 40 IKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 12744612 CDNPWKODOOWEOK-UHFFFAOYSA-N 432.307 5.180 0 40 IKAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c32)c1C 12897545 LKZUVSAMSVCUGM-UHFFFAOYSA-N 443.455 5.060 0 40 IKAB biogenic Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)cc1 13041363 OKIGMVXMUVJBFM-AUSIDOKSSA-N 438.980 6.141 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3csc(N(C(C)=O)c4cccc(C)c4)n3)n2)cc1 13113119 DFZFOQOHPVHBCP-UHFFFAOYSA-N 449.605 5.776 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 13113155 PEWZJQRWZHEXDI-INIZCTEOSA-N 449.507 5.574 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3cc(OC)ccc3cc2CC)ccc1C 13503573 LOBZQNFEJKKSJI-UHFFFAOYSA-N 437.565 5.194 0 40 IKAB Cc1ccc(-c2nn(Cc3cccc(F)c3)c(-c3ccc(C)cc3)c2Br)cc1 13960647 OEQQLQKDIFTCEU-UHFFFAOYSA-N 435.340 6.784 0 40 IKAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14122015 XINHHLPODYOEIT-OAHLLOKOSA-N 439.968 5.096 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14167667 KSTGJRYZDUEVQW-MRXNPFEDSA-N 442.610 5.225 0 40 IKAB CC(=O)Nc1ccc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 14201422 SVUWRIKJHKJBRP-NSHDSACASA-N 427.576 5.525 0 40 IKAB O=C1C[C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085103 UZXXYCCIQCUYAP-OAQYLSRUSA-N 428.467 5.346 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CCc1c[nH]c3ccccc13)CC2 16002215 FWDYCQVWEBDGLL-MUUNZHRXSA-N 440.543 5.292 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccncc3)n2)c1 19294060 ULHKQGFUXOVFFO-XMMPIXPASA-N 440.526 5.544 0 40 IKAB CCN(CC)C[C@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O 19596861 JWYHPAKRJMAQAT-QFIPXVFZSA-N 448.426 5.514 0 40 IKAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3cc(C(C)(C)C)nn3C)c2)c1 19690642 ZNWPXVBMKHZHSU-QFIPXVFZSA-N 432.568 5.074 0 40 IKAB Cc1nc2ccc(C(=O)N3CCO[C@H](c4ccc(-c5cccc(Cl)c5)cn4)C3)cc2s1 19692475 LCKXVBBTZLLUMA-QFIPXVFZSA-N 449.963 5.534 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCOCC2)c1C 19938406 XFLUGLXYJDNKJQ-FQEVSTJZSA-N 430.957 5.285 0 40 IKAB COc1ccc(C)cc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20357195 BHIHUEJOAXRQQP-OAQYLSRUSA-N 448.910 5.618 0 40 IKAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1Cl 20450530 BJORMKYDUUBVAW-UHFFFAOYSA-N 446.981 5.256 0 40 IKAB COc1ccc(CCN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 20610035 YECZCKRFUNAOSD-UHFFFAOYSA-N 441.527 5.095 0 40 IKAB biogenic COc1cc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc(OC)c1 22504579 LFKFCABYUXLBND-UHFFFAOYSA-N 437.521 5.002 0 40 IKAB CC(C)OP(=O)(OC(C)C)[C@@H](NCc1ccccc1)c1ccc(Br)cc1 23224590 ROFPXQYPDKOLLL-HXUWFJFHSA-N 440.318 6.281 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CSc1ccncc1 24050523 INAFULAOICJFRG-UHFFFAOYSA-N 448.979 5.338 0 40 IKAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 28293018 XXHLNCATNXENBM-XMMPIXPASA-N 446.591 5.436 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 30849319 YLSCIXXPBLDXHZ-GOSISDBHSA-N 440.540 5.043 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 33671860 BWYJRRHMOFPFLN-UHFFFAOYSA-N 444.701 6.673 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2)S1 35042637 MVKDGBWRJPWMCW-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB Cc1cc2oc(=O)cc(COC(=O)/C=C/c3c(Cl)nc4sccn34)c2cc1C(C)C 39607909 MCSFHFVBNGHBEC-SNAWJCMRSA-N 442.924 5.344 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 40945162 RZOJYYFKMJSTJM-KRWDZBQOSA-N 435.951 6.275 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)NCc2ccccc2Cl)nc2ccccc21 41076848 JCURIQNANZITOL-UHFFFAOYSA-N 435.980 5.455 0 40 IKAB Cc1csc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)n1 44087225 IIUOQCOUQSJNDP-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c(Cl)c1 44948948 UXLJMGBGIZZYRO-UHFFFAOYSA-N 431.897 5.110 0 40 IKAB CC(C)n1ncc2c(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)cc(C3CC3)nc21 48264242 PHCYOUXCFFELIL-XMMPIXPASA-N 425.536 5.146 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccc(F)cc3)CC2)cc1 56945661 UXNOJJHAQUOSBT-DEOSSOPVSA-N 449.570 5.010 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cccc(F)c3)sc2-c2ccc(OC)cc2)cc1 59464333 LUTOJAMRXZNEDA-UHFFFAOYSA-N 434.492 5.886 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OCCCC)cc3)on2)cc1 61997116 PMQBWOMCJUGUDC-UHFFFAOYSA-N 436.508 5.730 0 40 IKAB COc1cc(OC)cc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)c1 67258617 CEAYYRPONKFNQG-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1 67290527 LTXIQIFQYWVGSA-UHFFFAOYSA-N 446.576 5.649 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccccc3C(F)(F)F)oc12 67295924 YBQBBZDSAUHXOF-XHPQRKPJSA-N 445.422 5.401 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)c(Cl)c1 72230061 KSNJSOXOMZJWNL-JOCHJYFZSA-N 430.331 5.709 0 40 IKAB CCCCCC[C@]1(C)Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 72332630 ADHFDROAWBZRKA-GMAHTHKFSA-N 427.386 6.679 0 40 IKAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)n1 72353768 ANLRITLUZUGTIA-QFIPXVFZSA-N 446.570 5.211 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2ccc(Cl)cc2Cl)S1 96117816 PQAJZABVZXRVIX-MLGOLLRUSA-N 426.369 5.499 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98073045 XCIBQLZNHUIDPG-UHFFFAOYSA-N 436.293 5.611 0 40 IKAB Cc1ccc([C@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4ccco4)C3=C(O)C2)cc1 101380643 VJPJZXLIGRIPPM-CCLHPLFOSA-N 438.527 6.548 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C(C)(C)C)cc1 102653683 QQXFLCVXVIZOCK-SANMLTNESA-N 430.592 7.187 0 40 IKAB CCCN1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(OC)cc1 105800635 HTLLYNIQBSCNJA-KPURRNSFSA-N 438.571 7.129 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 107031199 DIATUEJRBNOERW-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 107726136 FYGQLQXLJRIKSV-CQSZACIVSA-N 440.956 5.334 0 40 IKAB CCn1nc(C)c(/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)c1C 118916024 DGHNSOORNPGMCA-JAHDUZDXSA-N 426.645 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 223074838 RVJKDHOHQIZRQY-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 223609618 OXMZESVLHPAVRH-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 223717719 DAEUUWUKSSPROW-UHFFFAOYSA-N 446.994 5.184 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 223995322 JHUUWKUDHSEHPD-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccccc1 224025567 GYQZNJXLIFVWQA-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224309386 OBTYOHLAVSESSN-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224347533 WNHJNZQUXJTKRD-DQEYMECFSA-N 443.547 6.220 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224459047 QQPRWWFUHZMFQB-DNQXCXABSA-N 444.991 6.011 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc(Cl)cc1 224475965 BIPKZPGAMOOSAW-DHIUTWEWSA-N 431.948 6.172 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224519157 PEUDOXLSXXDRAE-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCSCc3ccccc3)cc2)cc1 224554455 COFWABJMCITQRZ-UHFFFAOYSA-N 440.590 5.058 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C(C)C 224866822 CQIZSFUDQJWYJP-VXKWHMMOSA-N 441.000 5.617 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)cc1 224931598 GALDYFCZOMHQNQ-UHFFFAOYSA-N 428.488 5.841 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(Cl)c1 224997581 TUHMHMFTCIRKHP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225498706 JYDJTXPIODCNOO-GOSISDBHSA-N 430.923 6.441 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c1 225699094 PIZUVHHZCCUBEA-FQEVSTJZSA-N 434.914 6.743 0 40 IKAB COc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 257235163 GWSGLMXXQLPVKU-UHFFFAOYSA-N 432.907 5.555 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cl)cc1C(F)(F)F 408562683 FGZGUDMXMZSSKY-UHFFFAOYSA-N 438.696 5.993 0 40 IKAB O=C(CSc1n[nH]c(C23CC4CC(CC(C4)C2)C3)n1)Nc1ccc(Cl)c(Cl)c1 408581248 HWGAAIQNUXKHNA-UHFFFAOYSA-N 437.396 5.310 0 40 IKAB Cc1c(Br)ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1C 408594041 DOVJBPSYJSLKTR-UHFFFAOYSA-N 432.170 5.500 0 40 IKAB Cc1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Br)cc1 408611581 UAPFBGYPLOGHSE-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3Br)sc2n1 408625532 XGBWPTOWSDXNOY-UHFFFAOYSA-N 449.399 5.028 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 408999938 UPAQQZAMVDKYNA-DEOSSOPVSA-N 434.495 6.086 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)C(=O)O2)cc1 409008853 MYGPIAYIBKLPBS-JCMHNJIXSA-N 447.874 5.302 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409093873 BGNYXZSCQOHUNY-VAKHEIKFSA-N 449.732 5.377 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1ccc(F)c(Cl)c1 409223588 HAOYZMJQJWPZTN-VXLYETTFSA-N 440.883 5.307 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409358406 SUJQTWKASOCXIB-VXLYETTFSA-N 439.924 5.113 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 666525 VBSGNAVAJPEKGB-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=O)c3cccc(F)c3)cc2c1 1359359 AWVPNCAHNONLSD-UHFFFAOYSA-N 444.506 5.081 0 40 IKAB CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(OC)c4)sc3C)ccc21 1365698 NOLUKFMSCWXFEQ-UHFFFAOYSA-N 435.549 5.069 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1ncc(Cc2cccc3ccccc23)s1 1454040 ILVCYYBEIWNESZ-UHFFFAOYSA-N 431.542 5.759 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@H](C)C2 1773631 RDIXDUUYTLZKMM-AWEZNQCLSA-N 435.973 5.501 0 40 IKAB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c(-c3ccccc3)cc(=O)oc12 2151739 SUYRDFRWFXWCGY-UHFFFAOYSA-N 437.495 5.830 0 40 IKAB biogenic CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2199313 MYXGLNJTHQOMRB-UHFFFAOYSA-N 430.523 6.542 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 2250720 MQEUZVWAKMLHMT-SANMLTNESA-N 448.588 5.329 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 2421969 ZRLQXEYSYMXJIR-KRWDZBQOSA-N 448.589 5.029 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc(C)c1C 2680321 HMUCGOWWDKQOPS-UHFFFAOYSA-N 430.529 6.009 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cc(C)ccc4OC)ncnc32)cc1 2715174 CODUQDWHAUAHTJ-UHFFFAOYSA-N 436.515 6.157 0 40 IKAB CCCc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2730250 BMXDSXRHZLKCST-AWEZNQCLSA-N 448.419 6.359 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1-c1ccc(F)cc1 2768884 GTQRPHMTSGOOOB-CQSZACIVSA-N 427.497 5.445 0 40 IKAB CC(C)COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 3666301 NYFUAJMKVLTBDL-HSZRJFAPSA-N 441.358 6.799 0 40 IKAB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@@H](C)O[C@H](C)C1 4028713 LSBXOTFRMIJYQL-YFUDTJBDSA-N 435.649 5.056 0 40 IKAB biogenic Cc1ccccc1NC(=O)N(CC(=O)O[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C1CCCCC1 5943166 QUYGJBLLXRIPDR-SNOBZRMMSA-N 426.601 5.920 0 40 IKAB Cc1c(C=O)c2ccccc2n1CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 6265972 ZDQVWEDDQSGMNT-UHFFFAOYSA-N 426.560 5.869 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 8453092 HKPHCLPUBIAASY-QFIPXVFZSA-N 435.553 5.050 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)c1 8592846 SZCMZMOFTWFWHD-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB C[C@@H](NCc1ccccc1CN1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 8734785 XAZOUULJMXZULF-JOCHJYFZSA-N 427.592 5.456 0 40 IKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCC2 8832473 XJLRITDRCOZJLV-RMKNXTFCSA-N 447.343 5.554 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 8903069 NMPVKMLJVHOZKO-UHFFFAOYSA-N 449.963 6.398 0 40 IKAB CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 9056666 XISQUFYSDMNNIZ-BVAGGSTKSA-N 428.532 5.381 0 40 IKAB Cc1ccc(C)c(-c2nnc(O[C@@H](C)C(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)c1 9127582 UNNOIGYDFASUOP-KRWDZBQOSA-N 441.487 5.048 0 40 IKAB Cn1c(NC(=O)c2ccc(Cl)cc2Cl)c(-c2cccs2)c(=O)c2ccccc21 9238185 FAWDQBDYUSUKAQ-UHFFFAOYSA-N 429.328 5.826 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2cccc(C)c2)cc1 9250119 UJIQOPYHDWFEMH-UHFFFAOYSA-N 449.576 5.389 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1cc(C)cc(C)c1 9434960 JZNVSVXPOCVPJU-KQWNVCNZSA-N 443.499 5.114 0 40 IKAB C[C@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9460877 DBFKRACRFPSERW-HNNXBMFYSA-N 447.025 5.402 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9497277 KLWWODOTZUOWPN-UHFFFAOYSA-N 436.625 6.117 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCc2sccc2[C@H]1c1cccs1 9549912 DWCFMRDRZAJPFP-NRFANRHFSA-N 439.537 5.106 0 40 IKAB COc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607483 ZCQNQKRQYCWYAF-HXUWFJFHSA-N 434.883 5.310 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc1 9616422 JCMVQWQKBNCXCK-UHFFFAOYSA-N 446.359 6.063 0 40 IKAB CC(C)N(C(=O)CSc1nc2ccccc2c(=O)[nH]1)c1ccc(Nc2ccccc2)cc1 9616995 MQPLXKGFKNNLMO-UHFFFAOYSA-N 444.560 5.200 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1)c1ccco1 9712171 RMQRKGLKZCBIDR-IBGZPJMESA-N 431.517 5.509 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9814798 AQYNMDJJMPFIEA-UHFFFAOYSA-N 447.539 5.495 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2C)cc1 10371815 GONPHZQQZDFICW-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCn1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c2ccccc21 10559171 CHPPRBPYRGQUDY-UHFFFAOYSA-N 439.544 5.279 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3cc4cccc(OCC)c4o3)cs2)cc1 10749500 TUXKSSAFJBOPTL-UHFFFAOYSA-N 436.533 6.386 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1OC 12192895 QCAJQTVUTNCVIG-YWEHKCAJSA-N 442.559 6.507 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OC)cc2)cc1 12196598 VLHRXUDAKOMLIY-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)C1CCCCC1 12311758 CYCLYBWFKQRLOS-UHFFFAOYSA-N 449.620 5.276 0 40 IKAB CN(C)c1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1 12487086 XZRXDHQALWAPHM-UHFFFAOYSA-N 425.355 5.011 0 40 IKAB Cc1c(Cl)cccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1ccncc1 12527620 DFUYOMLLXJKJJU-AWEZNQCLSA-N 440.960 5.651 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)c1 12600844 AQHKIHRFLKSRRK-KBPBESRZSA-N 438.578 6.135 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)oc2c1 12651123 UCXDHDPZPAXQTG-UHFFFAOYSA-N 438.914 7.376 0 40 IKAB Cn1c(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)nnc1-c1ccncc1 12777637 LGNNGPNSBKXTSZ-UHFFFAOYSA-N 433.484 5.312 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cccc(/C=C/c3ccccn3)c2)CC1 12802966 DXGJYSSJXVBJBE-OUKQBFOZSA-N 425.532 5.051 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1 12817715 TXKJSDRUEMTQCW-SJORKVTESA-N 431.565 5.448 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc2ccccc12 12855278 CSPMQKGCLPGGLI-UHFFFAOYSA-N 436.511 7.032 0 40 IKAB CCCc1ccc([C@@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccs2)cc1 12883483 WYNTYPRVEMVPSK-ISKFKSNPSA-N 448.588 5.338 0 40 IKAB C[C@H]1CCCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)C1 13063529 UICYCVNVCRPXPA-KRWDZBQOSA-N 428.989 5.325 0 40 IKAB Cc1ccc(-c2nc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 13084701 SVGRNYBVVCFGRO-UHFFFAOYSA-N 443.616 5.782 0 40 IKAB Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3ccc(Br)s3)c(=O)c12 13121431 AAFONRWFBREWNG-UHFFFAOYSA-N 445.363 5.140 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1ccoc1C 13512508 LDZLOOYEUOZHSS-UHFFFAOYSA-N 449.374 5.058 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13708463 BCHDZTFGHIXQJR-HWWKNPRSSA-N 425.572 6.714 0 40 IKAB Cc1ccccc1[C@@H]1C(/C=C2/SC(=S)N=C2O)=C(c2ccccc2)Oc2ccccc21 13756791 FPYPMIFTPVAAGV-DWFNGTSHSA-N 441.577 6.803 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O 13758689 PXFLGXXWXAKJPJ-JOCHJYFZSA-N 439.939 5.424 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl 13870940 MVALLPFZYDDABR-JKSUJKDBSA-N 444.988 5.061 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Cl)ccc1Cl 14270525 GWGRRYGHAHRYIN-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)Nc1ccccc1-c1nc2ccccc2s1 14635417 UEXUKZUNJYUNBJ-UHFFFAOYSA-N 428.542 5.663 0 40 IKAB Cc1nn2c(N3CCN(c4ccccc4)CC3)cc(C(C)(C)C)nc2c1-c1ccc(F)cc1 15840003 ZDMGNLKHEXTWCF-UHFFFAOYSA-N 443.570 5.468 0 40 IKAB O=C(c1cc2ccccc2o1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc(Cl)cc1 15930277 GEFFDBJNLMUDCW-RUZDIDTESA-N 426.903 6.355 0 40 IKAB CCCCOc1ccc(C(=O)O[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 16044042 RIYZGVZKORHVKM-HUUCEWRRSA-N 438.351 5.595 0 40 IKAB COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 16195536 ADKBSKBYOAXZHJ-UHFFFAOYSA-N 448.307 5.605 0 40 IKAB COc1ccc(-c2[nH]c(-c3cc(Br)ccc3OC)nc2-c2ccccc2)cc1 18195257 GWWLSTVCDKUGCD-UHFFFAOYSA-N 435.321 6.190 0 40 IKAB CCCc1ncc(-c2cc(C)no2)c([C@H]2CCCCN2C(=O)Cc2ccc(OCC)cc2)n1 19525545 ULCMEPRHFWJQIU-JOCHJYFZSA-N 448.567 5.088 0 40 IKAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 19630427 PLYBXZXBFLLWTJ-KRWDZBQOSA-N 439.606 5.212 0 40 IKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20029971 TTZNEFQNULLJSC-UHFFFAOYSA-N 447.784 5.577 0 40 IKAB CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 20085944 BYYWEIYBQNVJNG-HRJZJZEUSA-N 436.502 6.028 0 40 IKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(Cl)cc23)cc1 20382434 DYTOUAQCEQXXJN-UHFFFAOYSA-N 436.964 5.950 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OC(F)F 24831165 MUADNTCCHHKJEO-UHFFFAOYSA-N 425.391 5.061 0 40 IKAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccccc3Cl)cc21 28049195 ZXGJOKZMFIOTAL-UHFFFAOYSA-N 429.973 5.208 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@@H](C)c3ccccc3)C1)oc1ccccc12 32675809 IWWAXVJYFZIMGF-FUHWJXTLSA-N 428.488 5.143 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cc(-c2ccc(Br)cc2)[nH]n1 40478305 QWSJHXLSHFZPFB-UHFFFAOYSA-N 444.638 5.764 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44937256 IKZSOYVYYUCQHO-XMMPIXPASA-N 429.004 5.464 0 40 IKAB CCc1ccccc1Nc1nc(C)c(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)s1 71326563 VLMVEUGSYPYDDT-CQSZACIVSA-N 425.554 5.266 0 40 IKAB C[C@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@@H]21 95951561 HBCKQDJNNYSOKP-HXNUEKDGSA-N 434.580 5.042 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118932458 QRSNTERZEKNKIZ-RFNSQPKESA-N 444.700 6.930 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)cc2)cc1 216441281 DPXSZOPBKNLVNV-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219770761 VZYTYIXBFMBDKE-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222927695 ILFPCMADFRXKPI-RFZIMGSGSA-N 445.647 7.248 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223672686 RQHPQMTXUFLZBK-JOCHJYFZSA-N 428.576 5.070 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 223979416 XLZCMUOYTKWGBG-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc2c(c1)OCO2 224028219 OOVARFYUIPVRNN-ZEQRLZLVSA-N 441.512 5.247 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 224236728 AKNITXJZJNNGEI-HXUWFJFHSA-N 443.031 5.586 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 224583583 IPQFUYUHKHSDAJ-VWLOTQADSA-N 438.612 5.077 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1C 224941311 PVVXADJAFYOZHH-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c(C)c1 225055262 SNAYIWUGQFSONA-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225096831 WKILLZBSVMRZTM-LEWJYISDSA-N 426.626 5.118 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OCC)c1 225844718 AHGLASXNIMLGEN-UHFFFAOYSA-N 435.605 5.847 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)c(C)c1 408562613 QXGWYIKFUMMYGM-GYHWCHFESA-N 443.410 5.919 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 408620963 KVKLZYYGFIEUPI-ITYMFSOSSA-N 448.349 5.738 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408696825 CHSNYFICAZCFQY-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)c(C)c1 408698787 PNMUEYZDFVTSTN-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2cccc3ccccc23)c1 408724565 MBBRGICXNCLIRD-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1c(/C=C2\S[C](Nc3ccccc3F)NC2=O)c2ccccc2n1Cc1ccccc1 408818534 XDILXETYAPBTTC-UHFFFAOYSA-N 442.539 5.900 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(OCC)c2)cc1 409119463 WTAMMVAEOYQGBX-UHFFFAOYSA-N 429.919 6.468 0 40 IKAB S=C(c1ccc(OCc2cccc3ccccc23)c(Br)c1)N1CCCCC1 409194249 IRYMIOYSKIIKNC-UHFFFAOYSA-N 440.406 6.343 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1c1cccc(Cl)c1 409208202 AGNBKQMYVVPINN-WQRHYEAKSA-N 449.837 6.860 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 409209027 FADHFJKKVONFRN-STZFKDTASA-N 445.968 6.154 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(OCC)c2)cc1 409375093 FLUJPAIFPXEERI-UHFFFAOYSA-N 438.499 5.253 0 40 IKAB CCCc1ccc(OCc2nc(CC(C)C)c(-c3cccc(Cl)c3)cc2C(=O)O)cc1 585265251 KLYRZRCPPUEGLY-UHFFFAOYSA-N 437.967 6.830 0 40 IKAB O=C(/C=C/c1cccnc1)N1CCC(c2cc3ccccc3c(Nc3nccs3)n2)CC1 585293008 RBOXYCHCEWWVIN-BQYQJAHWSA-N 441.560 5.249 0 40 IKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccn3)CC2)C1 643573699 JISGEHLCAFOFEQ-UHFFFAOYSA-N 449.639 5.212 0 40 IKAB CC(C)NC(=O)c1sc2nc(-c3cccs3)cc(-c3ccc(Cl)cc3)c2c1N 658893 VWPCRKKQRDKOAL-UHFFFAOYSA-N 427.982 6.066 0 40 IKAB Cc1cc(C)n(-c2nc(OCC(F)(F)F)nc(N(c3ccccc3)c3ccccc3)n2)n1 788033 HKKILBMEDCWEFP-UHFFFAOYSA-N 440.429 5.085 0 40 IKAB O=C(NCc1cccs1)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848737 ZOLLQLKIBMDIPI-UHFFFAOYSA-N 436.846 5.060 0 40 IKAB O=S(=O)(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(Br)s1 1105582 IUAXSHHMHYQQPT-UHFFFAOYSA-N 444.759 5.757 0 40 IKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c(C)c1 1252590 SOGOVHRBIMEDLL-UHFFFAOYSA-N 445.588 6.585 0 40 IKAB CC(=O)c1cccc(NC(=O)N(CCc2ccccc2)CCc2nc3ccccc3[nH]2)c1 1360654 OLTIDLYNMUFDSY-UHFFFAOYSA-N 426.520 5.085 0 40 IKAB O=C(Nc1ccc(Br)cc1Br)c1ccc(Br)cc1 1434619 FFSNUKYBSLWXNR-UHFFFAOYSA-N 433.925 5.226 0 40 IKAB CCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)c(Cl)cc12 2123085 CWZZIEMWTBAATH-UHFFFAOYSA-N 439.895 5.079 0 40 IKAB biogenic Cc1cccc(C(=O)N(CCN(C(=O)c2cccc(C)c2)c2ccccc2)c2ccccc2)c1 2133440 PRJQWHJRKOXZRT-UHFFFAOYSA-N 448.566 6.297 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1C 2232287 UKSFCBQNFHSORZ-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CC(C)[C@@H](C(=O)N[C@@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 2371297 HAVDDOKQPHFPFA-XZWHSSHBSA-N 433.595 7.193 0 40 IKAB COc1ccc(-c2oc3ncn4nc(-c5ccccn5)nc4c3c2-c2ccc(OC)cc2)cc1 2415332 PPNKUKDHESJBCJ-UHFFFAOYSA-N 449.470 5.284 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccc(C)s1 2771780 HFNLSUJXRRQJMH-UHFFFAOYSA-N 425.550 5.171 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COc3ncnc4ccccc34)cc2)cc1 3266774 LAUFEJAYXOKHID-UHFFFAOYSA-N 441.531 6.127 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccco2)cc1 3274987 ANOWGCKXSLFEHH-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)cc1 3301511 UFFDDUAQVAKBDF-UHFFFAOYSA-N 426.560 7.219 0 40 IKAB CCOc1ccc(OC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 3360972 ZRVTWWKNHUYZOQ-UHFFFAOYSA-N 436.558 6.077 0 40 IKAB Clc1ccc(-n2c(SCCCc3ccccc3)nnc2-c2ccncc2)cc1Cl 3397005 NSSGHWYRALESIR-UHFFFAOYSA-N 441.387 6.361 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)N(c1ccccc1)S(=O)(=O)c1ccccc1 3468025 OHXGJLRAQKEYTG-UHFFFAOYSA-N 446.981 5.037 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(C(C)=O)cc3)c3ccccc3n2)cc1OC 6074165 KNRNBQFJAYVFBQ-UHFFFAOYSA-N 426.472 5.374 0 40 IKAB Clc1cccc(NCc2nnc(SCc3ccccc3Cl)n2-c2ccccc2)c1 6474912 HFMCEDILBNIJLU-UHFFFAOYSA-N 441.387 6.479 0 40 IKAB CCOC(=O)[C@@H](CC(Nc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 8627766 CGYFHJBIYNUOCE-NDEPHWFRSA-N 435.567 6.779 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3ncccc3o2)ccc1Cl 8684767 LABCXBXQZWMEPM-UHFFFAOYSA-N 430.316 5.927 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 8758307 WXXBQLAHEYOXNH-IBGZPJMESA-N 429.495 5.083 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3Cl)oc2c1 8831916 CCCWCBGHXAWDLY-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB Fc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCc2ccccc2)cc1 8854011 KVVJWBYLHHCJGF-FAJYDZGRSA-N 442.481 6.850 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)cc1 8917483 KSNWNDWJMDODAG-UHFFFAOYSA-N 441.940 5.160 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 9307766 KDGFEYANIOMHDO-MHZLTWQESA-N 449.566 6.239 0 40 IKAB CC(C)n1c(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)nnc1-c1ccco1 9329078 HZXZLUBBUKPTSH-UHFFFAOYSA-N 444.866 5.522 0 40 IKAB CC1(C)C(c2ccccc2)=NN(c2ccc(CNC3CCCCC3)cc2)[C@H]1c1ccccc1 9348109 BVTSNTDWBRSOMT-LJAQVGFWSA-N 437.631 7.101 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)c(C)c1 9365298 HZVUVKBQPYXSOA-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1cccc2ccccc12 9464175 OYJCZFVQLLLXHY-AWEZNQCLSA-N 430.335 5.044 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc(-c4cccc(Br)c4)o3)c[nH]c12 9643449 DKJUTMNKJDDUPN-UHFFFAOYSA-N 442.338 5.518 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)cc1 9667301 VPDIXFWGAPITQU-MUUNZHRXSA-N 432.523 6.790 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)Nc1ccc(Cl)cc1 9782438 QBAUWFZICRJTEB-SNVBAGLBSA-N 437.750 5.007 0 40 IKAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 9987676 CMCYYQKJFUBGGC-UHFFFAOYSA-N 447.443 5.120 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2C)cc1 10334514 YOMOEPSHKKTNGU-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 12447764 HBGQBZNLPDCONO-GKVSMKOHSA-N 448.975 5.517 0 40 IKAB CCc1ccc2c(c1)C(c1ccc(N(C)C)cc1)=NNC(c1ccc(Br)cc1)=N2 12486042 JHAVVKSCVHNNKF-UHFFFAOYSA-N 447.380 5.511 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 12578180 SXYOJORKRCWKJP-UHFFFAOYSA-N 443.996 6.400 0 40 IKAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)NC4CCCCC4)C3)c2C)cc1Cl 12603371 ZMTKSBOPIFVGLM-UYAOXDASSA-N 426.992 5.495 0 40 IKAB biogenic,in-vitro Cc1cccc(-c2nn(-c3ccccc3)cc2C(=O)NC[C@@H](c2ccco2)N2CCCC2)c1 12783428 NUFAZTSSLIZERJ-DEOSSOPVSA-N 440.547 5.008 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@@H]2CCCC[C@@H]2C)cc1 12784395 XJLKUMNLQWOWAE-GHTZIAJQSA-N 444.645 5.442 0 40 IKAB CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(c1ccccc1)c1ccccc1 13147793 PCSQKLVDZJSGPL-UHFFFAOYSA-N 437.383 6.586 0 40 IKAB Cc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 13960519 CPBZINDQFFGZIO-UHFFFAOYSA-N 425.334 7.328 0 40 IKAB Cc1[nH]nc(O)c1C(c1ccccc1OCc1cccc2ccccc12)c1c(O)n[nH]c1C 14134617 RIFKWVDGYVNNGS-UHFFFAOYSA-N 440.503 5.073 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)cc1 14404815 ANUBILRMDNMJNW-UHFFFAOYSA-N 440.503 5.002 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1ccc(-c2ccc(F)cc2)o1)c1c(C)[nH]c2ccccc12 15016315 AZIDVGOZAFHUPO-UHFFFAOYSA-N 434.514 7.845 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15391066 MDDPAALPJWWNAD-HXUWFJFHSA-N 434.989 5.035 0 40 IKAB Cc1cc(OCCCCn2c(CNC(=O)c3ccco3)nc3ccccc32)ccc1Cl 15833662 NQEWZKCTMDLXQU-UHFFFAOYSA-N 437.927 5.380 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(Oc2ccccc2)cc1 15880233 LSSUSBBEUBLPIA-UHFFFAOYSA-N 441.556 5.746 0 40 IKAB CCC[C@H](NCc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 16046676 NTIMZCLFZCADID-DEOSSOPVSA-N 427.548 5.415 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNCCc2ccccc2)c(Cl)c1 16479305 BSNZNQYOAJTFSQ-UHFFFAOYSA-N 436.382 7.058 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17096334 GEHSLPCVEKGIAN-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 17097572 LFMWIOALYAVNKT-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OC3CCCC3)cc2)CC1 19082039 ZMJZIXQAQHAMPH-AREMUKBSSA-N 449.639 5.519 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(C(C)(C)C)cc3)o2)nnc1-c1cccc(C)c1 19927642 KZTMGKUHXDPQPD-UHFFFAOYSA-N 433.581 5.913 0 40 IKAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19932236 MOSULTGHWTUDOR-LJQANCHMSA-N 429.560 6.184 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(OCc2ccccc2)cc1 20610354 YMPHZOKLJKCJQI-UHFFFAOYSA-N 438.462 5.391 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1occc1CS(=O)(=O)c1ccccc1 22020379 HFWXWIVTBNUWPV-OUKQBFOZSA-N 444.512 5.071 0 40 IKAB CC(C)(C)CC(C)(C)NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22076287 DCHMGEWRCWJSIC-UHFFFAOYSA-N 428.831 7.530 0 40 IKAB Cc1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1C 24249566 QYMZZBLCVWZWQE-UHFFFAOYSA-N 427.348 5.779 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 25052908 BXHYJWUWQCAHMD-QZTJIDSGSA-N 430.495 6.024 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 26772050 AVKOXLQFEXCUQS-YLHZAKKZSA-N 447.575 5.447 0 40 IKAB biogenic CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(CSC(F)F)o2)cc1 30804137 DOCNESBIVFGCLX-UHFFFAOYSA-N 430.520 5.394 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1Cl 32112045 SRAIFGMWFLYRMP-UHFFFAOYSA-N 448.906 6.298 0 40 IKAB CCOc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Br 32127011 QDZDXJLKXKWCCH-UHFFFAOYSA-N 446.153 6.017 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 32691837 XGKLYWVEGRKCNK-UHFFFAOYSA-N 429.545 5.873 0 40 IKAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(-c3nnc(-c4cccc(C)c4)o3)cc2)c1 32908405 VCHQVOWFHGIQDA-DEOSSOPVSA-N 439.515 5.698 0 40 IKAB Cc1sc2nc(SCc3csc(COc4ccc(F)cc4)n3)nc(N)c2c1C 43808404 NXOQTIDZJQAZHZ-UHFFFAOYSA-N 432.571 5.357 0 40 IKAB COc1ccc(CN(C)C(=O)Nc2ccccc2CN(C)C2CCCCC2)c(OC)c1 48332142 IVERMOUXOYLCLK-UHFFFAOYSA-N 425.573 5.132 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 59417207 YFKXNRXSXSHCHU-UHFFFAOYSA-N 439.792 6.308 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)N(CCCN(C)C)C(c2ccccc2)c2ccccc2)c1C 72232529 NORYZXJFIRRJQP-UHFFFAOYSA-N 431.580 5.018 0 40 IKAB COc1cccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349667 AELPNMUYNIZZLT-FQEVSTJZSA-N 425.532 5.187 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)c(OC)c1 95945309 JJWGDMMZJPPABL-QFIPXVFZSA-N 438.886 5.488 0 40 IKAB CCOC(=O)/C(=C/Nc1ccc(Cl)cc1)Sc1ncc(C(F)(F)F)cc1Cl 100919109 FRHDHSXEALVZHZ-ZROIWOOFSA-N 437.270 6.016 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1cccs1 101011775 XTMPXFLWMGGQHE-SFHVURJKSA-N 433.924 5.301 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)c2ccccc2)cc1 216444531 WSENIUQIKZKTBE-BZPZRBNMSA-N 429.560 6.148 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1c(F)cccc1Cl 222685788 NOYWUBUXDNQLMH-UHFFFAOYSA-N 432.413 6.054 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222949376 FBVTWSGZPQLNDA-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223409807 VGZYPJJCGHDJCQ-SFHVURJKSA-N 449.422 5.486 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223915623 XJEOJCKKUOOREW-ZEQRLZLVSA-N 431.609 5.241 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cc(Br)ccc1Cl 225071650 GWBALTDBSHOEKV-UHFFFAOYSA-N 435.749 5.371 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225172504 JIRJDUJXGAVQDQ-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225369043 IVXCPAANCWUESD-UHFFFAOYSA-N 440.993 5.184 0 40 IKAB C[C@H](/C=C\C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C\C1=CCC[C@H]([N+](=O)[O-])C1 225411821 SIMVMXGCKDDNNL-VDYIPYERSA-N 446.503 5.151 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCOCC2)cc1Cl 225573243 YWIIFFFCOUYNIU-UHFFFAOYSA-N 449.950 5.360 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)Cc2cccc(Br)c2)cc1 225622661 VPZFTAVZLIPDJI-UHFFFAOYSA-N 446.728 6.085 0 40 IKAB COc1ccccc1OC[C@@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225780938 AUUSZWNHFDGKDC-QGZVFWFLSA-N 425.912 5.125 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257312357 UNOICJSDIHRWQQ-HSZRJFAPSA-N 448.473 5.301 0 40 IKAB Cc1cccc(Nc2cccc([C@H]3CN(Cc4nc5ccccc5n4C(C)C)CCO3)n2)n1 257324774 WQCLBONXVIWERH-HSZRJFAPSA-N 442.567 5.033 0 40 IKAB CC(C)c1ccccc1OCCNc1ncc(C(=O)O)c(COc2ccccc2Cl)n1 257328566 XGFJRQAXWXCBQC-UHFFFAOYSA-N 441.915 5.022 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 260753001 ANNNYZVPTVEBJP-TVNIXMEMSA-N 439.924 5.283 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408576179 SQGHDUNTPVCHIR-DCFHFQCYSA-N 444.600 5.212 0 40 IKAB Fc1ccc(N2CCN(C(=S)c3cccc(OCc4ccccc4Cl)c3)CC2)cc1 408578268 XACBVMHTNARALN-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CC[C@H](C(C)(C)C)C2 408599183 FQTBXMPEPIQODW-AWEZNQCLSA-N 446.638 5.389 0 40 IKAB Cc1cc(Br)ccc1NCc1cccc(OCC(=O)Nc2ccccc2)c1 408602746 AQGXSHLFUBHCJX-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)cc1 408625996 KDYXOZKKJULCSE-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2cccc(C)c2)cc1 408695497 QVZCWTKNYPJERW-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2cccc3ccccc23)cc1 408724993 NKISYRNCWMCZOZ-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)CC1 408868987 QDDTZHPOWGPFSH-UHFFFAOYSA-N 449.982 5.232 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408978224 LLWSAHFPVJZSEC-UHFFFAOYSA-N 447.972 6.993 0 40 IKAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(F)cc1 409085066 YGZFKUHXVMMMPV-STZFKDTASA-N 438.499 5.029 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccccc1F 409111855 CQHXIADPFOJNSZ-HAHDFKILSA-N 445.534 6.347 0 40 IKAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O 409169160 PHHKORHYIKYICY-NDENLUEZSA-N 436.464 5.069 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409169376 YBGUUWFTYJBKAP-KWKXUMAYSA-N 430.498 6.514 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O 409237364 UABYVHUFHSUMRO-LDADJPATSA-N 432.339 5.474 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1 409410907 AGAZMUAPNPZZCZ-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB O=C1O[C@]2(CCCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)C2)c2ccccc21 585304434 UQFRDKJKXNRICV-MHZLTWQESA-N 445.490 5.239 0 40 IKAB CC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1C[C@@H](C(=O)O)[C@@H](Cc3cccc(Cl)c3)O[C@@H]21 2037853956 OUIPCYVYCMLFDE-FQOCKNPQSA-N 442.983 6.198 0 40 IKAB Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1 648759 OVGMADKCLPGEBP-UHFFFAOYSA-N 430.558 5.497 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2C)c(OCC)cc1NC(=O)c1ccccc1C 1223683 CSMJEGVIOIGGLF-UHFFFAOYSA-N 432.520 5.605 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 1336098 UMUYPOSJPGZEAO-XMMPIXPASA-N 436.577 5.415 0 40 IKAB COc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1341569 BNEVDPIARGLVPS-RUZDIDTESA-N 446.547 5.121 0 40 IKAB Cc1oc2cc(OCC(=O)OC(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 1464016 MKRLISVJSWIXCY-UHFFFAOYSA-N 445.309 5.251 0 40 IKAB biogenic O=c1c2c3c(sc2nc(SCc2ccccc2)n1CCc1ccccc1)CCCC3 1762551 BOAFUSODXCSWNB-UHFFFAOYSA-N 432.614 5.872 0 40 IKAB CCOC(=O)CSc1nc2c(c(=O)n1C1CCCC1)C1(CCCC1)Cc1ccccc1-2 2183048 DGRQLPADLUMWGJ-UHFFFAOYSA-N 438.593 5.049 0 40 IKAB O=C(c1ccccc1)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccccc1 2184839 LEEXYEUQCZRDMR-UHFFFAOYSA-N 431.513 5.347 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 2222956 YRTSHZXBPLNYOV-DEOSSOPVSA-N 432.564 5.194 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)cc4)n12)CC(C)(C)OC3 2224319 SQNQVAXOYISJJU-UHFFFAOYSA-N 445.013 5.698 0 40 IKAB CCCCc1nc2sc3c(NC[C@@H]4CCCO4)nc(SC)nc3c2c2c1CCC2 2426658 HUQHZUQFNQNUAV-ZDUSSCGKSA-N 428.627 5.384 0 40 IKAB Cc1cc2oc(=O)c(-c3ccc(Br)cc3)c(-c3ccccc3)c2cc1Cl 2581725 XJFFZHMVBKFGGK-UHFFFAOYSA-N 425.709 6.851 0 40 IKAB biogenic O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(Cl)cc1C(F)(F)F 2638450 UVAYMFLDVRMNMW-UHFFFAOYSA-N 444.891 5.685 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 2653173 IVRYTGRKQHXPCL-UHFFFAOYSA-N 430.895 5.403 0 40 IKAB COc1cccc(CC(=O)OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 3255822 NPZDVMVHEWYVDU-UHFFFAOYSA-N 446.528 5.005 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3330995 LDYPAPFDVUXQSJ-UHFFFAOYSA-N 447.494 5.217 0 40 IKAB COc1ccc(CN(C(=O)COc2cc(C)ccc2C(C)C)c2ccccc2C(=O)O)cc1 8400399 IDXWHYHARRWRHQ-UHFFFAOYSA-N 447.531 5.437 0 40 IKAB O=C(Oc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12)c1ccccc1 8765676 LAZYHQKRKBRHCC-UHFFFAOYSA-N 437.904 5.513 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(Cl)cc1Cl 8831847 ZXHXCKQLQFEUKV-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc21 8959025 MTCUDCIZBHXSND-UHFFFAOYSA-N 434.458 5.365 0 40 IKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)c(C)c2oc1=O 9033725 HVQNPVDNBMMMQD-UHFFFAOYSA-N 442.555 6.948 0 40 IKAB biogenic O=c1c2ccccc2nc(SCc2c(Cl)cccc2Cl)n1Cc1cccnc1 9130875 DITCEXIYHOXJIA-UHFFFAOYSA-N 428.344 5.439 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9280964 JNBFYKPRYOJVCI-WMZHIEFXSA-N 439.298 5.964 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccccc2)cc1 9309396 MJZNNDHWUQUQKM-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB O=C(Nc1nnc(-c2ccccc2Cl)s1)c1cc(Br)ccc1Cl 9367658 HHYWIJCOULYDEQ-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9817965 CHYKGGDBXBQUFL-UHFFFAOYSA-N 432.524 5.753 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 9892764 OVBYRIYMGRERMW-GOSISDBHSA-N 439.523 5.106 0 40 IKAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 9949394 LSLSVKPBFHPNAP-NVQXNPDNSA-N 428.532 5.435 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 9951354 WNANSBBVEMCLPA-QHCPKHFHSA-N 432.911 5.253 0 40 IKAB C[C@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccc(C(F)(F)F)c1 10237042 DSZDZSUXIBEOQU-ZDUSSCGKSA-N 447.457 5.641 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2c(C)cc(C)cc2o1 11914649 LKTSFCVQDNOKNX-UHFFFAOYSA-N 447.512 5.567 0 40 IKAB CCCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN21 12437249 BTTFXCVYZPNVNL-GGXMVOPNSA-N 434.539 6.871 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccccc1 12554002 IPPSPTLGINAGKE-HSZRJFAPSA-N 429.545 5.044 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)CCc2nc3ccccc3s2)c2ccc(C)cc2)cc1 12565580 UPJXVMLJSCVNFZ-SANMLTNESA-N 429.541 6.013 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OC(F)F 12565709 DDYPIVAYCCXFOA-RIYZIHGNSA-N 425.431 5.528 0 40 IKAB O=C(OC(c1ccc(F)cc1)c1ccc(F)cc1)c1cc(-c2ccco2)nc2ccccc12 12566160 MYRMWJLFCJTGFI-UHFFFAOYSA-N 441.433 6.719 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CN[C@@H](c2ccccc2)c2cc3ccccc3o2)cc1 12787767 NATFDPBBSVPDLV-NDEPHWFRSA-N 432.523 6.564 0 40 IKAB CSc1ccccc1NC(=O)[C@H](C)Sc1ccccc1C(=O)OCC(=O)C(C)(C)C 12983555 GLIJFMFPVOREJU-HNNXBMFYSA-N 445.606 5.300 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628243 UVERTZRCHBNDBE-IBGZPJMESA-N 430.548 5.951 0 40 IKAB Cc1ccc2occ([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 13810207 HWACLPWDFOEXOK-NVQXNPDNSA-N 442.902 5.997 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 13842671 SLMFWTPJHAZFIL-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 13871351 IDXFQFMDIURLGS-QGZVFWFLSA-N 446.576 5.402 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(Cl)c2Cl)c2ccccc2)c1 14161384 POUGFXNJKRNWLJ-HXUWFJFHSA-N 430.287 5.539 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(OC(F)F)cc3)c2C1 14360822 STTRLXTZBAXEDO-AWEZNQCLSA-N 425.431 5.001 0 40 IKAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@H](c3ccc(C(C)C)cc3)C2=O)c1C 15412502 YLDLORDMOIHMKR-AREMUKBSSA-N 430.523 5.687 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cccc(Cl)c2Cl)o1 16383949 XEEZMLDPEFTTRY-UHFFFAOYSA-N 449.403 5.827 0 40 IKAB Clc1ccc(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)cc1 16524031 ZVNWSRJTDMALKV-UHFFFAOYSA-N 425.746 7.265 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2O)S1 16754525 FGZKZBVQBIGZJA-PEIDGHJYSA-N 441.512 5.087 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19081907 WQCKZFODFKODBS-GJZUVCINSA-N 449.639 5.519 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 19690344 SQKVALLCMVQRRQ-DEOSSOPVSA-N 432.539 5.368 0 40 IKAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19913576 FLKGBZQACIDHGH-UHFFFAOYSA-N 429.951 5.369 0 40 IKAB Cc1sc2nc([C@@H](C)SCC(=O)N[C@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C 25068826 ZWGVGTKPGKUYFD-TZMCWYRMSA-N 441.578 5.019 0 40 IKAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(C)c(Cl)cc3o2)c2ccccn2)cc1 27749625 ICLTVTBOALNKMO-UHFFFAOYSA-N 434.879 5.005 0 40 IKAB CCSc1ncc(Cl)c(C(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)n1 28290876 IZGPNVMWYXTPJX-LJQANCHMSA-N 449.064 5.352 0 40 IKAB Cc1ccc(CSc2nnc([C@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)cc1 34897060 HULQDVNHEIZXDC-LJQANCHMSA-N 428.989 5.196 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 35039669 MBHWLFYAUUZCBH-MOSHPQCFSA-N 425.962 6.568 0 40 IKAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4cc(C)nc5ccccc45)cc(C)nc32)cc1 36617065 LXRSZPSOUBWLJJ-UHFFFAOYSA-N 437.503 5.155 0 40 IKAB CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3cccc(C)c3)nccn2n1 46005354 UYTKSQFMNRCRDN-UHFFFAOYSA-N 446.576 5.614 0 40 IKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)n1 72354209 XDNJXLKFQUCGJS-NRFANRHFSA-N 444.966 5.302 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)s1 72375651 LMQUXXSJLTYJRW-IBGZPJMESA-N 439.560 5.065 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@H]1C2(C)C)C(=O)c1ccccc1 100366957 JJYPPLLEFKACEV-LCOFNGIBSA-N 449.635 5.412 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 103087738 DQGDTCJGHWXRNJ-SOLBZPMBSA-N 440.897 5.602 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2cccc3ccccc23)C(=O)N1c1ccccc1 113833761 LLFRJAOADCPYIW-KOEQRZSOSA-N 437.520 6.660 0 40 IKAB CN(C)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@@H]2C(C)(C)N(C)C)C1 118923225 YQHUMJXBHFISTA-NZMXRIJDSA-N 446.720 5.459 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1nc(-c2cnccn2)no1 211077465 CQDFTVBOASAKJJ-UHFFFAOYSA-N 441.278 5.068 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222664305 HPEFDBDKHSWBAQ-QFIPXVFZSA-N 442.603 5.541 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222944098 YWBXVVLPSGQJBG-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395096 PLDRMFGGQIXAJB-BJKOFHAPSA-N 428.536 5.184 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 223711312 WIFCIMVMUMJLLI-UHFFFAOYSA-N 449.616 5.964 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)c1 223945701 ZYBPESSKJQPYRL-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1C 224001185 QXOOPZGDMHIRSD-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 224022276 JQBQOCUWKHFMRU-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(OC)c1 224593908 CCXGWVSKMSULSC-FQEVSTJZSA-N 433.548 5.424 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccc(C)cc1 224666925 MEDICPOUTJAJIF-UHFFFAOYSA-N 435.545 5.345 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225311160 UWVPPXXJBXTWOU-CABCVRRESA-N 439.358 5.007 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225567079 CNPBSBOLROIEIN-IBGZPJMESA-N 443.031 5.512 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574936 DYOOOJDZLHKELY-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2c(Cl)cccc2Cl)c2ccccc2O1 225728431 ZQUJQWCJJDEPFG-SFHVURJKSA-N 428.381 5.495 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1 247851492 RUTRJJLYGLJIKF-BLMTYFJBSA-N 430.317 5.671 0 40 IKAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)c1cccc(Cl)c1 257221345 DOQBVKAONRSUJO-JCYRPKCISA-N 438.999 5.203 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2OC)cc1 408556828 LWOJVQRYPYWRHA-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 408575835 NTCNUDUFYMUZNN-UHFFFAOYSA-N 441.575 5.026 0 40 IKAB O=C(O)/C(=C/c1ccc(N2CCCCC2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634782 UMXWKJYBUHRPOC-VBKFSLOCSA-N 431.901 5.191 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408641154 KUPJUCRBUQQOKI-NRFANRHFSA-N 428.532 5.704 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 408683034 MGNPGGSOORPMOA-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408708805 SZUSVXZXKJODOG-OAQYLSRUSA-N 432.951 5.031 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 409173951 QAWDHNJLOULOSD-UHFFFAOYSA-N 429.299 5.921 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)cc1Cl 409175727 BFABANVTEFEKCQ-RGVLZGJSSA-N 436.920 5.477 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 409381340 LOUROXGGOSISSG-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1cccc(CN2CCCCCCCN(C(=O)C(C)C)c3ccccc3C2)c1OC 643563045 HOCNWXZKWAMIEL-UHFFFAOYSA-N 438.612 5.659 0 40 IKAB Cn1cc(CN2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)c2ccccc21 1848357337 HIJSLYUXDKGSQK-FQEVSTJZSA-N 431.530 5.822 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 985952 TUQDKSAFBYIILD-JOCHJYFZSA-N 430.595 5.198 0 40 IKAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 1324289 JAUVWDBQHDEPSH-UHFFFAOYSA-N 432.564 5.985 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccccc4C(C)(C)C)cc3)sc2c1 1808241 PEAUFIIENZKHDY-UHFFFAOYSA-N 430.573 6.587 0 40 IKAB COc1ccccc1[C@@H](CCN[C@@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1832513 RXWYWURDIQKPTK-CPJSRVTESA-N 438.011 7.009 0 40 IKAB biogenic CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3O)nc2c1 1858557 TUACKHCBDRPNBU-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB Cc1sc2ncnc(Oc3cccc(Oc4ncnc5sc(C)c(C)c45)c3)c2c1C 1895599 JWUDIMXCMKTMEW-UHFFFAOYSA-N 434.546 6.514 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 2083868 DWXFAZJVNLRZDN-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB CSc1nc(SCC(=O)Nc2ccc(C)cc2)c2c3c(sc2n1)COC(C)(C)C3 2235818 FYIFXCFNEJCYMD-UHFFFAOYSA-N 445.635 5.304 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@H](C(C)(C)C)C2 2737661 CHXIBUSQXJQPDC-HNNXBMFYSA-N 429.582 5.727 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 2753371 XGQRJHNDABGZGI-QFBILLFUSA-N 442.466 6.010 0 40 IKAB CCN(C(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1)c1cccc2ccccc12 3248395 PRLIKYQSSCOXSQ-BUHFOSPRSA-N 427.422 5.468 0 40 IKAB CCN1C(=S)N[C@@H](c2c(F)cccc2Cl)C(C(=O)Nc2ccc(C)cc2C)=C1C 3263801 DDZDASTWJWZKEW-HXUWFJFHSA-N 431.964 5.260 0 40 IKAB CCOc1ccc(NC(=O)c2c(N)n(-c3ccc(C)cc3)c3nc4ccccc4nc23)cc1 3321861 RYXAKYXRCLHMIB-UHFFFAOYSA-N 437.503 5.115 0 40 IKAB O=c1cc(CSc2nnc(-c3ccc(OC(F)F)cc3)o2)c2cc3c(cc2o1)CCC3 3443212 BNACCNPGZZEYIJ-UHFFFAOYSA-N 442.443 5.225 0 40 IKAB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1C[C@H](C)O[C@@H](C)C1 4028714 LSBXOTFRMIJYQL-VBNDEOFKSA-N 435.649 5.056 0 40 IKAB biogenic C[C@@H]1CN(C(=S)Nc2ccc(Cl)cc2)CCN1C(=S)Nc1ccc(Cl)cc1 6298966 FOHGQFNISHKTEX-CYBMUJFWSA-N 439.437 5.093 0 40 IKAB CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 8682505 LCHKXPXWDLBGEY-MZBJOSPHSA-N 445.902 5.261 0 40 IKAB Cc1c(OCC(F)(F)F)ccnc1-c1sc(Nc2ccccc2)nc1-c1ccccc1 8715596 GFEWJZUUDLALNV-UHFFFAOYSA-N 441.478 6.865 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1 8746521 NXROUZBADIHNLT-FQEVSTJZSA-N 443.400 5.357 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1Cl 8871260 SJOKQTHOJKOQMB-IBGZPJMESA-N 445.950 5.679 0 40 IKAB CCOc1cc(Br)c(CSc2nnc(-c3ccoc3C)o2)cc1OCC 8984284 OQTYLKRBVIIGOY-UHFFFAOYSA-N 439.331 5.490 0 40 IKAB CC(=O)c1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 8991032 BGXUEMWRVYEYBT-UHFFFAOYSA-N 447.874 5.334 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccc(C)cc4)cc3n2)cc1 9226579 KIFYSTWRHCJEAL-UHFFFAOYSA-N 448.954 5.742 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9235364 YCFOZWJRLJJBSK-QFIPXVFZSA-N 444.406 6.047 0 40 IKAB COc1cc(OC)c(NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1Cl 9245237 URXYKJKASOEPSB-FQEVSTJZSA-N 437.879 5.064 0 40 IKAB O=c1c2cn(Cc3ccc(F)cc3)c3ccc(F)cc3c-2nn1Cc1cccc(Cl)c1 9274757 CASXHXOBGMCWLQ-UHFFFAOYSA-N 435.861 5.331 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 9309346 GBBZERADYZRUON-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1ccc([C@H](c2ccc(C)o2)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)cc1 9327473 DXJDCUUOVWECFO-SANMLTNESA-N 431.557 6.186 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 9438935 TXBWLDLTTIQQRA-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 9459454 KKLHEYRTIBRJLH-IADCTJSHSA-N 428.900 6.157 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 9476775 MNBDFQUXNDHXOH-UHFFFAOYSA-N 431.492 5.369 0 40 IKAB C[C@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NC1CCCCCC1 9586054 OJDZHQTVXKMUIM-HNNXBMFYSA-N 441.622 5.112 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(-c3nnc(SCC(=O)c4ccccc4)n3C)cc2)cc1 9891872 XGVOFSPBSFKMOP-UHFFFAOYSA-N 442.544 5.018 0 40 IKAB COc1ccc(SCCCC(=O)Nc2nc(-c3ccc(OC)c(OC)c3)cs2)cc1 10217967 KFIWHDFJUVIXFP-UHFFFAOYSA-N 444.578 5.347 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 10369784 QXJPEXSZLVTBJM-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)c1 12062692 ARJBSKWFKGMPLL-DEOSSOPVSA-N 438.527 5.852 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2ccc(F)cc2s1 12140928 XTTMEVCHPVUJCX-UHFFFAOYSA-N 449.551 5.826 0 40 IKAB O=C(Nc1cccc2ccccc12)NC(c1ccccc1)(c1ccccc1)c1ccccc1 12376001 QABJVSLIGRSXGH-UHFFFAOYSA-N 428.535 6.953 0 40 IKAB COc1cc(/C=C/c2nc3cc(OC)c(SC)cc3s2)ccc1OCc1ccccc1 12575698 VRAYKWUUHDRGSP-ZRDIBKRKSA-N 449.597 6.785 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CCc1ccccc1 12658290 AIDSZGWOPQJTKW-LJQANCHMSA-N 427.573 5.349 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)Cc3csc(-c4ccco4)n3)s2)cc1 12736462 KBFVQLNWXVJKIO-UHFFFAOYSA-N 428.564 5.037 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CSc3nnc(-c4ccccc4Cl)o3)c2)cs1 12759582 NVFZQMHXJXTNFC-UHFFFAOYSA-N 442.953 5.553 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5Cl)no4)c(=O)c23)cc1C 12769595 ODTMVGYNXDWONU-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB COC(=O)c1ccc(Oc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 12951145 IYYOMKFMDIRGFH-UHFFFAOYSA-N 432.479 6.543 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H](c3nnc4ccc(C(F)(F)F)cn34)C2)sc2ccccc12 12974955 IXLQEOXWTXCWPS-CQSZACIVSA-N 444.482 5.291 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)c(O)c1 13130153 XWWFGXUAEKQXDB-UHFFFAOYSA-N 433.305 5.931 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)Cc2cccs2)cc1 13498284 NYMIPFOKKBEWSQ-DEOSSOPVSA-N 436.577 5.021 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960741 FKYDSZFGVUIBBH-UHFFFAOYSA-N 449.425 8.114 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 14273102 GDJRIIHJLBCYBK-DHZHZOJOSA-N 443.330 6.500 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 14649217 HPGWFUXGBSTTEP-UHFFFAOYSA-N 440.337 6.673 0 40 IKAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCc1ccc(F)cc1 16749691 PWTZGNAFOVSSHB-UHFFFAOYSA-N 426.384 5.357 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3C)nnc2-c2ccccn2)cc1 16789493 CMBLYGHVEXHLED-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1cc(C)c(NC(=S)NC(=O)c2cccc3c(Br)cccc23)c(C)c1 17095330 KBAFEERYJLQXCZ-UHFFFAOYSA-N 427.367 5.654 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)c1 17096595 SICJNNQYLRQBBA-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1CNCc1ccc2c(c1)OCO2 17309745 YDPYRFQPUWKMQH-UHFFFAOYSA-N 438.742 5.219 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)(C)C)cc4)cc3n2)cc1 19632488 PDCSDVASETVXLH-UHFFFAOYSA-N 440.591 6.621 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1Cl 19648307 GPMVIZLHXUEYAA-MRXNPFEDSA-N 448.950 7.313 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 20451684 JHYDFXSHWLCPLT-DCFHFQCYSA-N 444.600 5.569 0 40 IKAB COc1ccc(CC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 20492614 YYOLMYXQGXCUOS-UHFFFAOYSA-N 431.532 5.414 0 40 IKAB CCCOc1ccc([C@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1OC 20633436 IHZMQYXVQPGYGI-DEOSSOPVSA-N 449.551 5.466 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 21005769 YUGLQNXAVFJIPC-XMMPIXPASA-N 443.478 5.173 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccc2nsnc2c1 21595978 VXFLQVUWQQPSDR-UHFFFAOYSA-N 441.299 6.059 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(-c4cccnc4)cs3)cccc2c1=O 22066275 PPAVCNFWQIDROC-UHFFFAOYSA-N 439.496 5.539 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 27776403 KGWHIZGTTCROOW-CYBMUJFWSA-N 427.555 5.193 0 40 IKAB CCN(C(=O)COc1cccc(C)c1C)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993290 QUCRXXYLJVRQBW-MUUNZHRXSA-N 442.559 5.810 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2csc(-c3ccccc3)n2)sc2c1CC[C@@H](C)C2 28540174 AELFDSJTJNXIPL-CQSZACIVSA-N 440.590 5.354 0 40 IKAB COc1cccc(-c2nnc(S[C@@H](C)c3nc(-c4ccco4)no3)n2-c2ccccc2)c1 29739320 WPBDSZFCSVDQMG-HNNXBMFYSA-N 445.504 5.439 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116380 ZWHMAOJJRJSKRJ-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB COc1ccc(C2=NN3[C@H](C(=O)c4ccc(C)cc4)Oc4ccc(Cl)cc4[C@@H]3C2)cc1 33926512 QHOASVHSWVUMND-DHLKQENFSA-N 432.907 5.410 0 40 IKAB CCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639813 SHJHOGDTJOBUMX-UHFFFAOYSA-N 427.439 5.029 0 40 IKAB O=S(=O)(Cc1ccccc1)Cc1cc(-c2ccccc2)c2ccccc2c1-c1ccccc1 45069085 OKXAVGGLHCDXIG-UHFFFAOYSA-N 448.587 7.289 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022477 PSFDEGITZWDJRQ-UHFFFAOYSA-N 432.014 5.943 0 40 IKAB CC(=O)N(c1nc(CN(C)Cc2cccc(Cl)c2Cl)cs1)c1ccccc1F 57315534 LFKOGOBEQMYDGT-UHFFFAOYSA-N 438.355 5.906 0 40 IKAB CC(=O)c1ccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc23)cc1 64819999 KSTVRCGFJZCLGW-UHFFFAOYSA-N 425.941 5.023 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1cccs1 67259535 QNBPGYCFZBMLBT-UHFFFAOYSA-N 432.492 5.817 0 40 IKAB COc1ccc(CCN2C(=O)c3[nH]c4ccccc4c3C[C@@H]2c2ccccc2)cc1OC 68605336 DUUXQDMRPWLUGK-HSZRJFAPSA-N 426.516 5.167 0 40 IKAB CC(C)Oc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 72341433 LRWDIRNFKZDFFZ-GGAORHGYSA-N 441.641 5.190 0 40 IKAB COc1cccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(C(F)(F)F)n3)CC2)c1 72390475 UGZHQLJNNYJCKL-UHFFFAOYSA-N 447.482 5.252 0 40 IKAB CCOc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 72398616 HPMDLLFMLUYPQP-NVQXNPDNSA-N 449.639 5.085 0 40 IKAB O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCC[C@H]1c1nc2ccccc2s1 84600577 IYEQDVLUTKABIV-VIFPVBQESA-N 447.174 6.282 0 40 IKAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)Nc1ccccc1C(F)(F)F 90607091 YJACQPOEQPPXII-UHFFFAOYSA-N 434.487 6.067 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3cc(C)ccc3n2)cc1 102640733 SQINHRUMHNTJQA-SQVLJLFZSA-N 428.576 6.163 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(OC)c1 102877821 HBTFKSGKHVPODJ-HHHXNRCGSA-N 446.591 7.068 0 40 IKAB CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccco4)C3=C(O)C2)cc1 103450745 RENLHQBTYTUIPA-PPHZAIPVSA-N 427.548 6.755 0 40 IKAB CC(C)N(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)C(C)C 104305918 TZUZQPPYUCDMMV-JXAWBTAJSA-N 432.520 5.117 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1O 106733300 LWHHMSPNPKRNPP-PXNMLYILSA-N 442.295 5.473 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 222606352 AXFQEUWMAAGTIE-RTOPAQNCSA-N 438.021 6.476 0 40 IKAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424340 BGGOJHRNCQGLPF-VWLOTQADSA-N 434.967 5.179 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1F 223655430 RQFQICABYQXIPY-UHFFFAOYSA-N 437.945 5.581 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223793775 FRCQHPDTTJWCHY-DNQXCXABSA-N 434.609 5.657 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223808178 XXCDUSLZXHBKPQ-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223904409 BKIWSKYHHCYGAJ-LOSJGSFVSA-N 445.636 5.631 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 224243717 MHLDQAIIAUADGB-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc2ccccc2c1 224642073 VHORNGPAIYNFCO-UHFFFAOYSA-N 449.909 6.862 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 224671169 NHKFXQCKYQBPKT-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225068957 OFZLIMFQGQCPOC-IBGZPJMESA-N 447.044 5.198 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCCSCc2cccc(Cl)c2)ccc1Cl 225299267 NSQFECQICYQXDC-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 225554481 QTOGTCIQTBBHNW-CQSZACIVSA-N 441.786 5.131 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225812854 PNVSLZQYEOVUKM-UHFFFAOYSA-N 433.813 5.607 0 40 IKAB Cc1cccnc1C(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 257276169 NSPRERJQLQTTQS-SIKLNZKXSA-N 440.971 5.215 0 40 IKAB CCn1cc(CN2CCC[C@@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 257290413 QCVQANAKEHEMQS-XMMPIXPASA-N 442.567 5.244 0 40 IKAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)cc1Cl 408678924 KMXUVCMSGGGPDO-KRWDZBQOSA-N 428.381 5.209 0 40 IKAB CCOc1cc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCC 408767859 QEPHANSXPKGCGD-DUBROFONSA-N 432.973 5.299 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409111259 BBGLBLIQPZIVKW-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 409176853 ZKEXUMITSSKHLX-UHFFFAOYSA-N 438.401 6.395 0 40 IKAB Cc1cnc(Nc2cccc(C3CCN(C(=O)c4cccc5cccnc45)CC3)n2)s1 585262665 QGEMLSVXLUWKCT-UHFFFAOYSA-N 429.549 5.158 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 874540 DZJQUQTYIHBUBN-UHFFFAOYSA-N 435.524 5.276 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 907345 CKXQGQCTMRMZCO-UHFFFAOYSA-N 444.560 5.242 0 40 IKAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)Nc1ccccc1-c1ccccc1 907473 QHAMRGNEEHVXIW-UHFFFAOYSA-N 429.480 5.043 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3cccc(Cl)c3)cc2c1 1371403 WHJQLMJUTNEXTI-OAQYLSRUSA-N 439.943 5.011 0 40 IKAB Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccc(F)cc2)o1 1387913 WAALRDXPAKBQIB-UHFFFAOYSA-N 446.265 5.331 0 40 IKAB COc1ccccc1Oc1coc2cc(OCc3c(F)cccc3Cl)ccc2c1=O 1448086 FEFRBVKAKLVLLM-UHFFFAOYSA-N 426.827 5.965 0 40 IKAB biogenic COc1cc([C@@H](CC(=O)c2ccc(Cl)cc2)Sc2ccccc2)cc(OC)c1OC 1798817 KUTRVUAVMKNPRG-HSZRJFAPSA-N 442.964 6.472 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12 2093567 PVSJCMUPJOPZIQ-UHFFFAOYSA-N 431.963 7.310 0 40 IKAB Cc1ccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3C)[C@H]2c2ccccc2Cl)cc1C 2192790 AKBHEZHCQDZOJK-DHIUTWEWSA-N 426.343 6.454 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2259520 AZTYTEUVKHFIER-UHFFFAOYSA-N 448.313 5.715 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2296943 NODVRVULYHUWEL-UHFFFAOYSA-N 430.617 6.468 0 40 IKAB biogenic CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2367082 QGGZIEOKSYEZIT-IBVKSMDESA-N 440.318 5.172 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1ccc(Cl)cc1 2660967 VXPZPHYMDXPVCB-QFIPXVFZSA-N 441.358 5.214 0 40 IKAB aggregator Cc1ccc(-c2nc(NC(=O)c3ccc(COc4ccccc4Cl)o3)sc2C)cc1 2760353 MLIMUQBKAGEPJJ-UHFFFAOYSA-N 438.936 6.505 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCC(=O)c3ccc(C)c(C)c3)cc12 3232689 ZHYUJOVONUYBSL-UHFFFAOYSA-N 428.484 6.155 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)Cc2ccc(Br)cc2)c2ccc(C)cc2)cc1 3314310 ZKYREJHGUDOMQS-DEOSSOPVSA-N 437.333 5.776 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1OCC 3321608 GIJRLSJYZFONSO-XQNSMLJCSA-N 443.499 5.408 0 40 IKAB O=C(CC1CCCC1)O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3366018 AKXMXXPRJCJWOE-HXUWFJFHSA-N 439.861 6.162 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3ccccc3C)ncnc21 3658730 JXRVGBUFQHGJDB-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB CCC(CC)COC(=O)/C=C(\CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC 8602622 TYCAEUFHSJDSES-FYJGNVAPSA-N 426.594 5.241 0 40 IKAB CCc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NCc4ccccc4)c3c2c1 8605962 DMCGGVVYYOXMNV-UHFFFAOYSA-N 438.506 5.269 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 8722601 QIAGDQCIPFHEQJ-RUZDIDTESA-N 447.498 5.206 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 8810364 UPVFRYQGKUXDNO-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Fc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8817185 VJFMKVICVXBPSM-RBBKRZOGSA-N 447.724 7.028 0 40 IKAB COc1ccc(N2C(=O)[C@H](CSc3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 8888277 PXQZVWQDPVVHKV-JWQCQUIFSA-N 431.601 6.489 0 40 IKAB CC(C)c1ccc(-c2nc(C(=O)NCCCn3ccnc3)cc3c2[nH]c2ccccc23)cc1 8918544 NBEHZDSFNXELOI-UHFFFAOYSA-N 437.547 5.523 0 40 IKAB biogenic CCCCn1c2ccccc2n2c(C(=O)C(Cl)(Cl)Cl)c(-c3ccccc3)nc12 9109555 ZYUVMQBRNKBYSD-UHFFFAOYSA-N 434.754 6.309 0 40 IKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccc(C)cc3)cc2O)n[nH]c1C 9129710 FUOSNUNJSHUNFZ-UHFFFAOYSA-N 430.504 6.169 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccccc1F 9328062 JWYONEFRKVOWOQ-UHFFFAOYSA-N 425.484 6.473 0 40 IKAB Clc1ccc(CSc2cn(Cc3ccccc3Cl)c3ccccc23)cc1Cl 9391796 QXCKSVNUOJMIOO-UHFFFAOYSA-N 432.803 7.942 0 40 IKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)C(=O)c1c[nH]c2ccccc12 9414705 JJEMCJFSLGAILS-UHFFFAOYSA-N 439.540 5.407 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2C)cc1 10314526 IBQQWHRHMRPWOA-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3C)c2-c2nc3ccccc3s2)C1 12378175 LLZHXINWHOGJDG-UHFFFAOYSA-N 447.585 5.490 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc(=O)c2ccccc2o1 12530277 GFSVLQDBTMMWID-LJQANCHMSA-N 442.902 5.490 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CN(C)Cc2ccccc2N2CCCCC2)cs1 12553468 KUPQOTRFKROGSL-UHFFFAOYSA-N 434.609 5.450 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(-c2ccccc2)cc1 12604042 BAHWNLFIWMVOHI-UHFFFAOYSA-N 448.591 6.921 0 40 IKAB CCC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccccc1 12746435 JHUWOYBSSRCYHA-RUZDIDTESA-N 444.575 5.358 0 40 IKAB Cc1ccccc1NC(=S)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878377 JVTZMHGBWAYEOQ-UHFFFAOYSA-N 429.014 5.291 0 40 IKAB CC(C)Cc1cc(C(=O)O[C@H](C(=O)NC2CCCCC2)c2ccccc2)c2ccccc2n1 12880577 PKOWGEQQJKSWTC-SANMLTNESA-N 444.575 5.780 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)c3cccc(NC(=O)[C@H]4CCCO4)c3)n2)cc1 13008571 JNAZKHXVIXGVFN-OAQYLSRUSA-N 435.549 5.303 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)c2cc(-c3ccncc3)nc3ccccc23)c1 13014592 SCCYOXSKFDVMKW-UHFFFAOYSA-N 431.495 6.650 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 13497919 SHBYQTPVJZBJGK-XMMPIXPASA-N 442.625 5.118 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C 13498263 YOKMFFFOFRFJKE-AREMUKBSSA-N 446.616 5.741 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 13645135 SWNCLRSAOXYYCI-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB Cc1[nH]nc2c1[C@H](c1ccc(Cl)cc1Cl)N(CCc1c[nH]c3ccccc13)C2=O 13690533 QCTJPMWJLQNBEC-NRFANRHFSA-N 425.319 5.294 0 40 IKAB Cc1ccc2occ([C@H]3Oc4ccccc4[C@@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 13810208 HWACLPWDFOEXOK-BKMJKUGQSA-N 442.902 5.997 0 40 IKAB Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)N5CCCCCC5)CC4)c23)cc1 14124065 TYUKKUMKIQROBG-UHFFFAOYSA-N 434.609 5.286 0 40 IKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 14272225 GEGDNALEUYTFRP-UHFFFAOYSA-N 441.314 6.382 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1C 15412878 CSJJXBZZVVCCJI-SANMLTNESA-N 446.978 6.201 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(SC)cc2)cc1 15413366 FDXXGXHMOSZMNY-VWLOTQADSA-N 446.572 5.237 0 40 IKAB O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCC[C@@H]1c1ccccc1F 15671026 DOECBCCNWTXFJJ-QGZVFWFLSA-N 444.388 5.125 0 40 IKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2Cl)cc1OC 16227420 CDGJIBBWNYVSCH-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(Cl)cc1Cl 16523729 LDDGGPPYHJAMJH-UHFFFAOYSA-N 445.331 5.565 0 40 IKAB CCOc1ccc(O)c(C(=O)CCCCCCCCC(=O)c2cc(OCC)ccc2O)c1 16689306 VMAPWLCTPRVTII-UHFFFAOYSA-N 442.552 6.082 0 40 IKAB CCCCCn1c(SCc2nc(-c3ccc(F)cc3)no2)nc2ccsc2c1=O 16843298 XEYYWPVGGMZZQC-UHFFFAOYSA-N 430.530 5.130 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 16890390 CAODBNAOVSAVGL-UHFFFAOYSA-N 433.558 5.182 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c1 17095958 SBXQOHHSVFUVLS-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 17102802 CPQWQEJIFXBRJR-UHFFFAOYSA-N 438.911 5.181 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2cccc(OC)c2)n1 19525589 OMLVIAFSMMQVMM-OAQYLSRUSA-N 434.540 5.077 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nn3cnnc3s2)c1 21124516 OPOPUYKVJXZSSJ-PKNBQFBNSA-N 447.907 5.418 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2OC)cc1 21609035 YHEUKNXGERSXDF-UHFFFAOYSA-N 449.507 5.066 0 40 IKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccc(-c2nc3ccccc3s2)s1 22289471 NNIVZOFRCBJMKL-UHFFFAOYSA-N 440.619 5.720 0 40 IKAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 24771814 NURLCSHOXLRAAV-GOSISDBHSA-N 444.560 5.478 0 40 IKAB Cc1c(C(=O)OCc2csc(-c3ccccc3)n2)oc2ccc(Br)cc12 25390623 DJFHGRGVWZKPAF-UHFFFAOYSA-N 428.307 5.984 0 40 IKAB CC(C)COc1ccc(C(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc1 28288831 JWEJGWXKBKBGIG-UHFFFAOYSA-N 429.314 5.319 0 40 IKAB O=C([C@@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc23)CC1 32904472 YKBICSCPQRCOBS-NHCUHLMSSA-N 441.600 6.367 0 40 IKAB CCOc1c(Br)cc(C(=O)NCc2ccccc2)cc1OCc1ccccc1 33660439 CDUGZTJKUVMMQW-UHFFFAOYSA-N 440.337 5.357 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(CN2CCCCCC2)cc1 38860859 BWBWLSCZMPSAAS-UHFFFAOYSA-N 434.967 6.761 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(NC(=O)c2cccc3ccccc23)cc1 39755666 VUTBFXZSVJGYLN-UHFFFAOYSA-N 434.455 5.394 0 40 IKAB O=C(NCc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2ccc(Cl)cc2)on1 40324755 NXPSACVWHXNCHS-UHFFFAOYSA-N 430.316 5.702 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(OC)cc2)n1-c1cccc(C(F)(F)F)c1 44087726 AXWKZVXFJCQRTG-UHFFFAOYSA-N 436.455 5.222 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 44200795 PTZDQXNOTKCQSN-UHFFFAOYSA-N 434.113 5.520 0 40 IKAB COc1ccc([C@@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(C)=O)cc1 58196723 ULUUIGTZBHDRQR-SANMLTNESA-N 435.527 5.916 0 40 IKAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@H](c3ccc4nccnc4c3)C2)cc1 58196799 GPWZZBRAZNAXPE-DEOSSOPVSA-N 439.544 5.187 0 40 IKAB Cc1[nH]c2ccccc2c1CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 59417500 XIPVDGKMTUYXSK-UHFFFAOYSA-N 430.964 6.670 0 40 IKAB CN(C(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2)c1c(F)cccc1F 89364947 NPJUWHSHHQMITE-UHFFFAOYSA-N 446.295 5.068 0 40 IKAB O=C(N[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1)OCC1c2ccccc2-c2ccccc21 95748959 CGNVYWDHCWJPOR-NRFANRHFSA-N 441.405 5.370 0 40 IKAB Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 96183715 UQUDADZKAXNXTO-RUZDIDTESA-N 433.983 5.896 0 40 IKAB O=c1[nH]c2c(s1)[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100864325 MOXDDWKSQCILQK-AVKNAIIRSA-N 430.598 6.237 0 40 IKAB O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1cccs1 101373344 BRHVXVCDVNHEPY-NIYFSFCBSA-N 440.568 6.708 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2n1 101567073 YSZKCWIBVNWOTP-URFJDIBFSA-N 428.576 6.244 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c1C 102222957 ZHORDEJFMUGINL-DHTSOJEISA-N 437.580 6.208 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br 106685388 HVGCMIFDXJIBLB-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB S=C(c1ccc(OCc2ccc(Cl)cc2Cl)c(Br)c1)N1CCCC1 107926620 ZWRUSSVCONRLCY-UHFFFAOYSA-N 445.209 6.106 0 40 IKAB CCOc1ccc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OCC 218989116 ZGPOBNFRPKONKV-UHFFFAOYSA-N 439.939 5.646 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223208194 DHFYPBBQDSZWFO-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 223301241 FMCNSOCPHXUXCL-KCWPFWIISA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 223809469 FFGWIHJUEGKYHV-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB Fc1ccc(CCCNC(=S)Nc2ccc(Nc3ccc4ccccc4c3)nc2)cc1 223970270 YHDSTYUBTGMPAK-UHFFFAOYSA-N 430.552 6.037 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 224152111 IRTKPJSTXIZORP-XMMPIXPASA-N 438.637 5.094 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224236648 XKWGCGHIEQZVEF-LJQANCHMSA-N 429.004 5.025 0 40 IKAB CN(c1cccc(C(=O)NC2CCCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224274074 SOKUDVJTKFYZND-UHFFFAOYSA-N 434.989 5.008 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1N(C)S(=O)(=O)c1ccccc1 224290212 QKJXJJQHFOIVLM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(C)c(C)c1 224290737 UHYQBGYBTLGYKX-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224503317 ROZMRAFRQUTLBF-WOJBJXKFSA-N 441.398 5.404 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225555507 ZOEUYZGYIGLWPW-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CC(C)(C)c1ccc2c(c1)C(=O)CC1(CCN(C(=O)Nc3cccc(Cl)c3)CC1)O2 225818707 FNMTXVYGHOEPOF-UHFFFAOYSA-N 426.944 5.669 0 40 IKAB COc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)c1 252527503 CSKBYUXOEMXMPF-UHFFFAOYSA-N 439.540 5.682 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@@H]2C 253590792 KEOLCBLQBIWDBI-KYVVDENPSA-N 446.672 5.155 0 40 IKAB Cc1cc(C)n(-c2cccc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@H]5NC(=O)C(C)C)c2)n1 257317643 VKPBKMUIQJULOX-NZBCCDEDSA-N 435.612 5.144 0 40 IKAB COc1cc(C(=O)NCc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 408551684 FJUMPCUYSXQNEU-UHFFFAOYSA-N 445.946 6.319 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 408553316 NUQWCVBWMYRXSR-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccccc1Br 408561524 JEFAOAFBVMSELM-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)C1=O 408816513 LQSWMFKGYXUTJB-ODLFYWEKSA-N 444.339 6.392 0 40 IKAB CC(C)[C@H]1CC(CCNCc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524734855 FPOYKKRDKDJKOG-CLJLJLNGSA-N 441.587 5.832 0 40 IKAB CCn1ncc2c(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)cc(-c3ccccc3)nc21 606873641 CKZMMDDGBPFBCP-KRWDZBQOSA-N 437.503 5.264 0 40 IKAB Cc1ccccc1C(=O)N1CCCCCN(C)C(=O)c2ccccc2OC[C@@H]1CC(C)C 643581986 HENHJCXECRYPGA-QFIPXVFZSA-N 436.596 5.187 0 40 IKAB Cc1cc(OCC(=O)Nc2sc(Cc3ccccc3)c(C)c2C(N)=O)cc(C)c1Cl 676900 LWZGEGSSDVHNNV-UHFFFAOYSA-N 442.968 5.034 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(Cl)cc5)c(N)c24)CCCC3)o1 756797 NSZBKZMWYYNXFX-UHFFFAOYSA-N 437.952 6.231 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 892193 INLOMGSFGQFZMD-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB O=C(Nc1ccc(C(=O)OC[C@H]2CCCN3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 1001085 ASTJQGWCDYKJKV-DENIHFKCSA-N 426.944 5.014 0 40 IKAB COc1cc(COC(=O)c2ccc(CSc3ccc(Cl)cc3)o2)cc(OC)c1OC 1048627 AQUJVSPPSYSOQO-UHFFFAOYSA-N 448.924 5.608 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccco1 1322691 QDGBIHPKDJYEOU-DEOSSOPVSA-N 435.564 6.036 0 40 IKAB biogenic Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)c1 1329098 SBPHIBFZIXSUBX-UHFFFAOYSA-N 449.963 5.387 0 40 IKAB Cc1ccc(N(C(=O)c2c(C)noc2C)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1353827 BFDTUTLTFGZGED-RUZDIDTESA-N 445.563 5.437 0 40 IKAB O=C(c1ccccc1)c1c(-c2ccccc2)oc(-c2ccc(Br)cc2)nc1=S 2187657 VTABORFSBSMVKA-UHFFFAOYSA-N 448.341 6.732 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4cccc(Cl)c4Cl)sc3nc2C1 2205987 DTQWRVHPVFJBGH-UHFFFAOYSA-N 434.348 5.593 0 40 IKAB CCOc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 2305490 YZWUIHJPLDOIHW-UHFFFAOYSA-N 440.377 5.788 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)nc(C)c2=O)cc1 2324784 NJYJXQCOUYCNIW-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 2549642 FQDCNCJOURUKNF-DZGCQCFKSA-N 442.993 5.829 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1Cl 2727795 DZTCQAPECSSVMN-MRXNPFEDSA-N 433.813 6.100 0 40 IKAB O=C(OCc1c(Cl)cccc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3250586 QQZGMHRXSNPURE-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1Cl 3664220 PULLOADRKUIBJT-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7158828 WKLPMETWUOYALW-QGZVFWFLSA-N 428.960 5.137 0 40 IKAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 8758196 CPGIKWLVWPCZCN-LJQANCHMSA-N 443.572 5.358 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8828190 YGNQYBHTMULWAT-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB Cc1ccc(CSc2nnc(C[S@](=O)Cc3c(Cl)cccc3Cl)n2C)cc1 8855293 QQGYKTAYQFQZMB-MHZLTWQESA-N 440.421 5.172 0 40 IKAB COc1ccc(C(=O)N2c3cc(Cl)ccc3-c3c(ssc3=S)C2(C)C)cc1 8951307 ZCABIFOLGUAWRL-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB CCOc1ccc2[nH]c3c(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)ncnc3c2c1 9016095 QIYSAJXRLUYVPU-UHFFFAOYSA-N 442.350 5.143 0 40 IKAB Clc1ccc(-c2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c(Cl)c1 9087908 PGSKUUODFFFMGO-UHFFFAOYSA-N 430.147 5.917 0 40 IKAB COc1ccccc1OC(=O)Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1 9158993 GADHAVJCZJPQKY-UHFFFAOYSA-N 425.309 5.794 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O 9187004 VHLURMXGYVJZBF-QFIPXVFZSA-N 428.488 5.445 0 40 IKAB COc1ccc([C@@H](NC(=O)c2ccc(NC(=O)c3ccco3)cc2)c2ccccc2)cc1 9216621 HOWCJOXRGAOWTP-DEOSSOPVSA-N 426.472 5.060 0 40 IKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(OC)c2)c1 9302925 CJERHKSNWQLSAE-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 9307528 RUHDAXPUAHHMLC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 9892030 NQAWPHKEYJBLHE-UHFFFAOYSA-N 436.895 5.791 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 9948957 FBPBYNSCMCLWGN-KRWDZBQOSA-N 431.561 5.586 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1nc(C)cs1)C3=O 11614262 YNAQWYXNOXMTLE-NRFANRHFSA-N 430.529 5.740 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 12196071 RWYHXFGKNALADQ-GGAORHGYSA-N 436.870 5.508 0 40 IKAB COc1ccc2cc(CN(C)C(=O)COc3cccc(Oc4ccccn4)c3)ccc2c1 12536902 LCHQYWAGPHYXQC-UHFFFAOYSA-N 428.488 5.073 0 40 IKAB CCn1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)c(=O)c2ccc(C)nc21 12598638 YTZGHTHDDHVJPZ-LJQANCHMSA-N 445.588 5.060 0 40 IKAB Cc1ccccc1-n1c(SCc2nc(C(C)C)no2)nnc1-c1c[nH]c2ccccc12 12648118 GONBARBFYTUURU-UHFFFAOYSA-N 430.537 5.523 0 40 IKAB Cc1cc(S[C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc12 12658667 RKEUVDOZOQTFFI-LLVKDONJSA-N 425.768 6.623 0 40 IKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 12680884 XGGCOULABNRYHS-DEOSSOPVSA-N 440.547 5.008 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc3ncsc3c1)CC2 12796068 YBQXHQMVMLWDFN-QFIPXVFZSA-N 436.558 5.163 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1 13120382 UUNCJPDDMFRUFY-SANMLTNESA-N 438.531 5.328 0 40 IKAB O=C(COC(=O)c1cccc2ccccc12)Nc1ccccc1Sc1ccc(Cl)cc1 13146396 UKGDBFXNGGSEQQ-UHFFFAOYSA-N 447.943 6.440 0 40 IKAB Clc1cccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccccc2)c1Cl 13617607 VZURYSAWVRSQFG-UHFFFAOYSA-N 444.159 7.480 0 40 IKAB CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1cccc(SC)c1 13880421 WEIBUHLYIRJZHO-UHFFFAOYSA-N 444.651 5.184 0 40 IKAB O=C1N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C12CCCC2 15305235 PUWWXXHXQNDHQC-QGZVFWFLSA-N 435.159 5.860 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 16751943 ZGEKDBFBFBNGAJ-QHCPKHFHSA-N 435.520 5.326 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)O)CCN(Cc3ccccc3F)CC2)c(C)c1 19132854 GKNCLGRWPVGXAK-UHFFFAOYSA-N 431.551 6.019 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)c3ccncc3)CC2)n1 19694849 VQFBLSWSRQGVKM-UHFFFAOYSA-N 439.481 5.414 0 40 IKAB COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765053 CYXROQIVXVZGIP-HSZRJFAPSA-N 448.542 5.221 0 40 IKAB COc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 20352926 FPVFEIBTNZKHAV-XIKRSCJXSA-N 433.592 5.727 0 40 IKAB biogenic Cc1cccc(Oc2ccccc2N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)c1 24829070 IRAFOLKUMMJQPR-FQEVSTJZSA-N 431.536 5.063 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 26829449 RFFYCFQYWGCQFK-GOSISDBHSA-N 447.585 5.745 0 40 IKAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1sc2ccccc2c1C 29477055 AOAFHIJMVHDOCW-UHFFFAOYSA-N 440.565 5.096 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013253 HEQBMILVWDTSAU-SANMLTNESA-N 440.547 5.128 0 40 IKAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3cccc(Cl)c3)n2)cc1 33325049 DNTVNGNFHGIHOZ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 33704620 JBIOWDSIIBTIOV-QLPFJNHISA-N 448.544 5.311 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(C)c1Cl 40913290 SSXURFAKOGDECF-INIZCTEOSA-N 442.342 6.247 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 44846631 BMEOLUQZKUDFMF-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB C[C@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2c(c1)CCC(=O)N2 58413236 BMONDCWWAYVERR-HNNXBMFYSA-N 430.470 5.279 0 40 IKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)cc1OC 67260481 ZJRYYIBVUSLFGC-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB COc1cc(CNC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)ccc1OCc1cccc(Cl)c1 101211201 ARPYNHPSRDGKQX-JSZXIJHASA-N 427.972 5.101 0 40 IKAB Cc1cccc(N2CCN(C(=O)CC34C[C@@H]5C[C@H](CC(Br)(C5)C3)C4)CC2)c1C 102978713 HAPGNJBSQDTHAF-CSKPTYFESA-N 445.445 5.076 0 40 IKAB COc1ccccc1-c1ccc2c(N)c(C(=O)Nc3cccc4ncccc34)sc2n1 215676220 WWVUXGDRWLSPBV-UHFFFAOYSA-N 426.501 5.355 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222772964 RUGCDMJOCUZBDK-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(C)cc2)cc1)c1ccc2c(c1)CCCC2 223024121 JPABVWCHGVESEE-HHHXNRCGSA-N 429.629 7.047 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223197517 ZLOQOHZEXCUAIW-AREMUKBSSA-N 446.566 5.191 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccccc1 224163192 GKNABIASVRGWFB-UIOOFZCWSA-N 438.600 5.725 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1C 224257385 OXXNFYVKNDYACM-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224324931 DSWZTJOYEZLFDG-BJKOFHAPSA-N 425.561 5.007 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)c1cccc2ccccc12 224684267 RCOBQRUFKLOWRA-UHFFFAOYSA-N 448.588 5.036 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)c(I)c1 225021577 MJCHITFWLHNAFQ-UHFFFAOYSA-N 429.257 5.644 0 40 IKAB COc1ccc(OC)c(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 225339148 PPOYGEUUVZZLLW-UHFFFAOYSA-N 431.517 5.071 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 225515000 CBUDSOKATXMALZ-OFVILXPXSA-N 446.591 5.249 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccc(F)cc2)ccc1Br 225615084 FZYHWODHXCNOGN-UHFFFAOYSA-N 427.408 5.507 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225630573 MZYPVZPMIUGTNW-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccc(F)cc1 225781426 LURFWXYZIHCATN-UHFFFAOYSA-N 425.872 6.042 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2cc(Cl)ccc2Cl)CC1 231423848 HXBYNONHDWJCBI-UHFFFAOYSA-N 425.359 5.474 0 40 IKAB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1cccc(Cl)c1 253562950 DWLFOMOFCITKAK-CJRSTVEYSA-N 431.919 5.733 0 40 IKAB C[C@@H]1C[C@@H]1C(=O)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 253590790 FSDMSBUNAOBSQO-WWGRRREGSA-N 434.487 5.186 0 40 IKAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccc(Cl)cc1)N2C(=O)c1ccccc1 257213423 CHNLGPJVNKYOGS-JCYRPKCISA-N 438.999 5.203 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)CC(C)C)CC2)c1 257274505 NLJAYDFGHNDUGS-UHFFFAOYSA-N 434.624 5.384 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257307422 SYORJZIGQOAZKN-JOCHJYFZSA-N 431.467 5.427 0 40 IKAB O=C(N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccccc2F)CCCC1 257326222 WWINOHJIUYRRRR-VWLOTQADSA-N 447.529 5.521 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 408589099 YPEQXSAONXQOQN-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1cccc(Cl)c1)Sc1nc2ccccc2o1 408634786 UOITXENAFGQGHQ-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408647802 XMRBPSWOWFTLDL-IBGZPJMESA-N 430.504 5.178 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3C)nn2-c2ccccc2)cc1 408697315 IWRKGQAIQKCTEC-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2cccc(Cl)c2Cl)o1 409042104 XNPDCJVXQQVOQZ-ATVHPVEESA-N 429.328 5.858 0 40 IKAB COc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409133550 MWPGUYPIDQMSJK-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)cc1 409265853 WHGYUQWBFDATOA-UHFFFAOYSA-N 440.540 5.002 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)CSc1nnc(Cc2ccccc2)o1 409327598 LFGUKYHJCMQVAF-UHFFFAOYSA-N 446.370 5.277 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCC 409370465 RGLPUTPKRZBBLM-UHFFFAOYSA-N 446.263 5.908 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c1 409409279 GSLGTHDSOHVLHW-UHFFFAOYSA-N 447.000 5.378 0 40 IKAB Cc1ccc(-c2oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)c(C)c1 524732085 WOCAOWCABUJZMF-UHFFFAOYSA-N 440.451 5.823 0 40 IKAB biogenic CCCOc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265166 XIYLXXDYFGOTFF-DWQJTFDBSA-N 444.499 5.012 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(I)cc1 682230 YKGFKBOJPXXFRK-UHFFFAOYSA-N 427.285 5.452 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NS(=O)(=O)c3ccccc3C)c2)c1 683237 PBNGXLRTHNPFPR-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1cccnc1 953993 MNRAWNPTBHOGSJ-DEOSSOPVSA-N 446.963 5.362 0 40 IKAB CCOc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 1000374 DGBCLFXFNXYCRG-UHFFFAOYSA-N 447.560 5.977 0 40 IKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccccc4Cl)C3)n2)cc1 1359988 PUVFTYUPNAXOCE-SFHVURJKSA-N 445.972 5.082 0 40 IKAB Cc1cccc(NC(=O)c2ccc(OC(=S)Nc3ccc(Br)cc3)cc2)c1 1434609 VNYSZALWRJGRLS-UHFFFAOYSA-N 441.350 5.786 0 40 IKAB Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)coc3c2)cc1 1772193 RLUVTWRGHPVOHH-UHFFFAOYSA-N 428.484 6.410 0 40 IKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(I)cc1 1775412 GDIWLBOIHZFTKQ-UHFFFAOYSA-N 432.261 5.068 0 40 IKAB COc1ccc(CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCCC4)cc1 1810264 PWILUOHULJZZTA-UHFFFAOYSA-N 435.618 6.543 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(C)c(Cl)c2)c2nc3ccccc3nc12 2263672 DRMZEDTYRCGQKV-UHFFFAOYSA-N 436.943 5.711 0 40 IKAB CCOc1cccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2292819 YPQGZTCOFUPOBE-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 2307285 ZVIOTJWWILRXAX-UYAOXDASSA-N 428.458 5.667 0 40 IKAB COc1cccc(CNc2ccc3[nH]c(=O)[nH]c3c2)c1OCc1ccc(Cl)cc1Cl 2340102 NRNGTRNRRJTMSP-UHFFFAOYSA-N 444.318 5.363 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2-c2ccccc2)cc1 2373097 ITRKVLKCMHWPAQ-UHFFFAOYSA-N 448.522 5.818 0 40 IKAB COc1ccc(CN(CC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)C(C)=O)cc1 2451313 MELNCSQLWODLBZ-MUUNZHRXSA-N 449.566 6.192 0 40 IKAB CCCCNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 2678639 PQAGPEFZDHXHBT-MOHJPFBDSA-N 448.950 5.820 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2cccc3ccccc23)oc1NCc1ccco1 2908145 IZDJPTHAMMVRDC-UHFFFAOYSA-N 426.409 5.591 0 40 IKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(-c2ccccc2)nc2ccccc12 3241543 LTPMUDVDHUFELN-UHFFFAOYSA-N 431.520 6.917 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)c1 3311189 PTALRDDFWXWHGM-UHFFFAOYSA-N 427.957 5.437 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc2ccccc2cc1OC(=O)/C=C/c1ccccc1 3361691 OULDULXTSSUXBX-FYWRMAATSA-N 437.495 6.028 0 40 IKAB Cc1cc(-c2ccc(NC(=O)N3[C@H](C)C3(C)C)c(C)c2)ccc1NC(=O)N1[C@H](C)C1(C)C 4722676 KQVRLJDZJABHCL-ULFSOXLYSA-N 434.584 6.000 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1OC 6162845 PGSTZPOQESLCFW-UHFFFAOYSA-N 437.952 5.897 0 40 IKAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)c1 6442728 XMKAUWMPDGYOLS-LJQANCHMSA-N 444.560 5.274 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCCC3)n2C2CCCCC2)cc1 6597790 DBZOEDVQXUNRAT-UHFFFAOYSA-N 426.630 5.462 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1Cl 8427281 PAGNGXBVGSLHCW-NRFANRHFSA-N 429.720 6.597 0 40 IKAB Cc1ccccc1COc1ccccc1C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 8825476 YLYAMAHDTOYCFN-UHFFFAOYSA-N 443.421 5.388 0 40 IKAB COc1cccc(NC(=O)[C@@H](Nc2cccc(-c3csc(C)n3)c2)c2ccccc2)c1 9127113 ASDGAWGCDNJAPX-DEOSSOPVSA-N 429.545 5.919 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1ccccc1Cl 9307425 ORVYBFPVRNHZKI-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1ccc(C(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 9360104 OBRJHNIVACJSEE-UHFFFAOYSA-N 434.586 6.116 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Br)cc2)s1)c1cccc(Cl)c1 9366803 DCFQRFLHINQBLH-UHFFFAOYSA-N 440.775 5.499 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1C 9369187 OQSMLLCSWOXPMD-UHFFFAOYSA-N 433.602 6.355 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 9391685 HRNZIGLKMQTMMS-UHFFFAOYSA-N 444.556 5.597 0 40 IKAB Cc1ccccc1-n1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O 9403813 DYTLXVRFZBBYDR-UHFFFAOYSA-N 432.936 5.288 0 40 IKAB COc1ccc2cc([C@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc2c1 9495117 WLXWLGOWJYLIDQ-OAQYLSRUSA-N 449.869 5.620 0 40 IKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 9591849 XNGFSQWIENNCDM-LJQANCHMSA-N 435.426 5.738 0 40 IKAB COc1cccc2c1OC1=C(C2)C(=S)N[C@@H](c2ccc(Cl)cc2)N1c1cccc(C)c1 9673597 HTNLQUSNJOYMFJ-HSZRJFAPSA-N 448.975 5.940 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccc(C)cc1 9984329 ZYSZIALMJGVFKG-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)c1 10015519 XQPNXVMVFKIIBU-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cc(Cl)ccc1Cl 11617411 WOQIZQYCYBOFFH-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB Cc1cc(C)nc(SCc2nc3cc(NC(=S)Nc4ccccc4)ccc3n2C)n1 12322020 CUXJZKPPEAGTDS-UHFFFAOYSA-N 434.594 5.081 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(OC(F)F)cc1 12872292 ZELPWABKRLEACN-UHFFFAOYSA-N 432.858 5.179 0 40 IKAB CC(=O)c1ccc(-c2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)o2)cc1 13120454 IQPXFKDLIFUYTM-UNOMPAQXSA-N 436.261 5.256 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccccc4Cl)c23)cc1 13454342 WAHBMNKLVMQFAZ-UHFFFAOYSA-N 425.966 6.051 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccccc1OCc1ccccc1 13687376 YEBVGGNXAYTGIR-UHFFFAOYSA-N 441.914 6.402 0 40 IKAB O=c1[nH]n(C2CCCCCC2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 13748944 REBKHNLELVQJEE-QGZVFWFLSA-N 426.369 5.803 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 13788063 LUGXZEVPDSZPSI-MHZLTWQESA-N 437.587 5.839 0 40 IKAB Cc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(C)cc3)c2Br)cc1 13960623 HVOWPBCPNWTFQM-UHFFFAOYSA-N 445.404 7.262 0 40 IKAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OC(=O)c1ccco1 15947505 DSHDFUDUMXINMD-ODXCJYRJSA-N 438.505 5.123 0 40 IKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(-c2cccs2)nc2ccccc12 15978406 CACXHVXPQNPSJX-UHFFFAOYSA-N 431.557 5.906 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(C)c4)cc3n2)c(C)c1 16678414 FGMNXMFNTJLJKI-UHFFFAOYSA-N 427.552 5.444 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1Br 17096149 FOYDIFQZFZMGRG-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc2ccccc2c1 17096355 HHCPNEJVTKNUMW-UHFFFAOYSA-N 429.339 5.046 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccs4)cc3)nc2c1 17099672 YGCYUXXMXQOEDZ-CQSZACIVSA-N 435.574 6.197 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC(c4cc(-c5ccc(F)cc5)cc(C)n4)CC3)nc2c1 19691210 ZXZXMMWRQDAVPQ-UHFFFAOYSA-N 428.511 5.172 0 40 IKAB COc1ccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCc1ccccc1 19889516 CFBKYKNFFQZGBK-UHFFFAOYSA-N 436.983 5.245 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20239774 SAMMUFNXXJYVTJ-RUZDIDTESA-N 432.545 5.030 0 40 IKAB O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(Cl)cc1C(F)(F)F 21998194 HEABTSPFWUGDDA-UHFFFAOYSA-N 446.859 5.339 0 40 IKAB CCOc1cc(CNCc2ccco2)cc(Br)c1OCc1ccccc1F 22076343 VDDDNKOUWASBPF-UHFFFAOYSA-N 434.305 5.449 0 40 IKAB Cc1ccc2c(Cn3cnc4scc(-c5ccc(F)cc5)c4c3=O)cc(=O)oc2c1C 22984251 DIWULHSYEHCGSL-UHFFFAOYSA-N 432.476 5.036 0 40 IKAB COCCCn1c(S[C@@H](C)c2nc(C(C)(C)C)no2)nnc1-c1ccccc1Cl 23905350 BINPFNOIAHKKLZ-ZDUSSCGKSA-N 435.981 5.169 0 40 IKAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ccnn1Cc1ccc(Br)cc1 26790191 GQFGPRFAASNEEK-UHFFFAOYSA-N 449.352 5.040 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(-c2ccc(C)cc2)on1 27662286 DGVVHFVLNMRJBD-UHFFFAOYSA-N 446.528 6.116 0 40 IKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1ccc(C(F)(F)F)cc1 28229000 XKIQEEDLTUITRK-UHFFFAOYSA-N 425.357 5.086 0 40 IKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cc(C)cc(C)c2)cc1 28288748 XJWPSUBYHZZOOG-HHHXNRCGSA-N 428.532 5.420 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 59483213 BGKWPUZWFWVCRT-MHZLTWQESA-N 442.603 7.324 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)c(Cl)c3)oc12 67295911 OFBCCWXFBABCCI-CLCOLTQESA-N 429.860 5.175 0 40 IKAB Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2C)c1 73690830 IEEVWDCYHYIAEK-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)CN(C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 100330059 IVFYNVUWEOJAST-GIIVHJRKSA-N 445.434 6.220 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cc(C(C)C)on3)CC2)n1 100739108 LRPPRUVVGWAFLS-PUZFROQSSA-N 447.583 5.477 0 40 IKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cccc(I)c3)C2=C(O)C1 102645810 VWQTWKIFPSJYSH-HXUWFJFHSA-N 444.316 6.163 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833384 SLSAISYRPRDYQV-TYGXQLQZSA-N 442.844 5.024 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(Cl)cc5)nc4c3)o2)cc1C 108236418 SVMDFEJGWHSUTM-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)c1 108985797 CZNLZIUGJZHKLT-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)[C@@]2(C)C[C@H]3C=C[C@H]2C3)cc1 112249673 XNEBKRKTJOUEAL-NJVGLYJLSA-N 440.547 5.282 0 40 IKAB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1 214044198 DEARNWRGGJBFOW-HAVVHWLPSA-N 431.513 5.381 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 222414518 BMTAHYAWQGMARI-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)c(C)c1 222979405 DZRCJUQMCUEAFF-FCHUYYIVSA-N 425.001 5.607 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223632272 IJJXMWARWKYGJE-UXHICEINSA-N 448.375 5.003 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223691119 BGOLVWJRBRWBFB-DEOSSOPVSA-N 438.612 5.023 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223819377 CYDHEIKESSAAPZ-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223969050 CJRWIXROZDVVFO-RPWUZVMVSA-N 445.592 5.134 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224007795 ITXGTLPGMNLXJI-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C(C)C 224229839 RMYPIKUNSCBMOM-UHFFFAOYSA-N 444.358 6.957 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 224239299 MKTSMLOMYAFJFM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(Cl)c1 224489673 DOWSCJQPBHAZQN-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1cc(C)cc(C)c1C 224608313 VBARCXQOCRGRFZ-UHFFFAOYSA-N 431.576 6.713 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1 224858176 KNTXQHFXOLTJAX-UHFFFAOYSA-N 439.726 6.272 0 40 IKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1 224961432 RJTJRWNNLPWMRJ-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225034520 HIUVHOWGDCNATF-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225163640 NPDNSOXGWCSSIU-PMACEKPBSA-N 443.031 5.728 0 40 IKAB CC(C)CCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc2c1=O 225538275 SDXPAUYCCXRWOT-UHFFFAOYSA-N 440.956 5.438 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 225548905 BMINWRUFGBTQBZ-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3ccccc3Br)nc2c1 226282892 UJMTWBTXXITARD-UHFFFAOYSA-N 427.220 5.481 0 40 IKAB CCN(CC(=O)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2)c1ccccc1 408545767 AASVRJKGXGHYPR-UHFFFAOYSA-N 447.604 5.022 0 40 IKAB CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(C)c(C)c1 408559654 AQMMCNBBEJMTDZ-SGEDCAFJSA-N 436.665 6.450 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 408561975 MGUCKKPTJZONGQ-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB CCOc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1 408587605 SIXXLVQQYULYFR-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408683335 MQPUAWNQMYUNRD-GOEBONIOSA-N 429.303 5.091 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)C(=O)[C@@H]2C1 408684853 PNOOMPVJQKLQMO-DLBZAZTESA-N 429.303 5.091 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(Cl)c2)c1 408697545 HOFCHBMGXABDQZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408699471 UKCVASFLRXKWBF-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(Br)cc1 409113796 NZCMZHFJEURYSH-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409179207 PXGJDPXVZZZAIW-UHFFFAOYSA-N 433.463 5.434 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1 409196290 VMHVXZXOOHPQHL-OEAKJJBVSA-N 441.918 5.436 0 40 IKAB COCCN1C(=O)S/C(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)C1=O 409199237 AJPRJGFABHYLJL-VCHYOVAHSA-N 438.332 5.255 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(OCC)cc1 409204483 HYFJITWIGFCUHN-UHFFFAOYSA-N 440.540 5.902 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@H]21 583652788 RGMOWKMCHFVBQH-USNOLKROSA-N 435.490 5.012 0 40 IKAB biogenic COc1ccc(-c2cccc(C(=O)N3CC[C@H](Cc4ccnc5ccccc45)C3)c2C)cc1 585294311 WTDLSXMZOLFTSV-OAQYLSRUSA-N 436.555 5.924 0 40 IKAB O=C1NCCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 2037978122 BVDXYQMKCYVSJN-SANMLTNESA-N 445.632 5.460 0 40 IKAB COc1ccc(-c2cc(C(F)F)nc(SCC3=NC(C)(C)Cc4ccccc43)n2)cc1 720115 PLSNEDPJEVLOAI-UHFFFAOYSA-N 439.531 6.006 0 40 IKAB CCc1ccc(Oc2coc3cc(OC(=O)c4c(OC)cccc4OC)ccc3c2=O)cc1 950747 KOFAWWZKCRMNRI-UHFFFAOYSA-N 446.455 5.384 0 40 IKAB COc1ccccc1CN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1cccc(Cl)c1 1346778 OQODYPRIWUIVAF-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB O=C1c2ccccc2C(=O)N1Cc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1 1393743 KEQGLDSQSVMLGX-UHFFFAOYSA-N 429.479 5.489 0 40 IKAB CCCc1oc2ccc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)cc2c1C(=O)OCC 1405406 UUOUUGXSUXBVNY-UHFFFAOYSA-N 443.565 5.660 0 40 IKAB Cc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1C 1830423 OWAOTWGDPNNFHH-UHFFFAOYSA-N 448.950 5.429 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 2084591 LNZFIKJEPNNFLF-OAQYLSRUSA-N 438.553 5.428 0 40 IKAB CSc1nc(SCc2c(Cl)cccc2Cl)c2c3c(sc2n1)CCCC3 2239016 KIULXAXVMNDVJX-UHFFFAOYSA-N 427.447 6.891 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1scc(-c2ccc(Br)cc2)c1C(=O)O 2321787 GVUAKOVGDZWVPJ-IZZDOVSWSA-N 428.307 5.528 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 2418918 VNTYUSAEMLMBIO-GOSISDBHSA-N 427.243 5.146 0 40 IKAB COc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCC(C)CC2)cc1 2546370 QWPMCUGLBDHUBC-VWLOTQADSA-N 448.632 6.447 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OCCC(C)C)cc2)sc2c1CCCCC2 2769292 MTYQPIOQTIIVIZ-UHFFFAOYSA-N 429.582 5.871 0 40 IKAB O=C(NC1CCCCCC1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 2804235 FYGZRCSZQUGPKC-UHFFFAOYSA-N 442.894 5.583 0 40 IKAB Cc1ccc(Nc2nc(N3CCCCC3)nc(N(c3ccccc3)c3ccccc3)n2)cc1 3043150 IHQMVTZLVXRFTF-UHFFFAOYSA-N 436.563 6.384 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(Oc4cccc(C(=O)NCc5ccccc5)c4)c23)C1 3309732 WOGVHUQPAWPXHY-MRXNPFEDSA-N 429.545 5.538 0 40 IKAB Cc1sc2ncnc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)c2c1C 3332729 JCMSPTXXALLZIJ-JOCHJYFZSA-N 429.570 6.506 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)c1cc(-c2ccccc2)nn1-c1ccccc1 3346395 OUMZAAYRFMPROO-UHFFFAOYSA-N 428.542 5.977 0 40 IKAB COc1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8424556 PNBZRXZGXJFIFN-UHFFFAOYSA-N 430.507 6.650 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc12 8439203 IYDZKEMPSCGWJP-UHFFFAOYSA-N 449.528 5.694 0 40 IKAB CCC[C@@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 8454312 DFOQZEFZDFHNFZ-AUCPRATJSA-N 447.255 5.384 0 40 IKAB COc1cccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccccc4)sc3n2)c1 8742317 HESUOUYZEJFAAR-UHFFFAOYSA-N 428.435 5.804 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccc(F)cc1 8756126 ZTRBJNVDZUYZPJ-FQEVSTJZSA-N 443.522 5.555 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccccc1C(F)(F)F 8768701 QZEMYFYFMORNAW-UHFFFAOYSA-N 447.526 6.300 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(F)c(Cl)c3)cc2)cc1 8783524 YJMUICAGKLVFMA-UHFFFAOYSA-N 446.931 5.273 0 40 IKAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 8828213 VRNNANWOQHQFLM-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB O=C(Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1)c1ccccc1 9066334 ZEVNTDUUQLSHFN-IXCJQBJRSA-N 446.506 6.148 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(OC(F)F)cc2)N1 9086970 CZHNDEWIBYVIKE-OAQYLSRUSA-N 432.430 5.087 0 40 IKAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 9344239 SKPBXFQSGOAYJO-UHFFFAOYSA-N 426.806 5.869 0 40 IKAB Cc1cccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C3CCCCC3)n2)c1 9426403 ATIQPKALELMGHL-UHFFFAOYSA-N 444.329 5.376 0 40 IKAB COc1c(C(=O)Nc2ccc(Br)cn2)cc2ccccc2c1Br 9427033 YIKZQLUKFQMSHY-UHFFFAOYSA-N 436.103 5.021 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 9491209 IIGXCTOOSLGEPD-INIZCTEOSA-N 432.574 5.066 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4c(C)cc(C)cc4Cl)ncnc32)cc1 9496731 RCDJUAGCBUXGBT-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB Cc1ccc(C2=NC3(CCC(C)CC3)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 9599348 YPOZSPFGVHEXSJ-UHFFFAOYSA-N 440.012 6.128 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)NC1CC1 9631872 HTNIJCUSAHJIEU-UHFFFAOYSA-N 425.385 5.128 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9633034 KRHDUETZLCWVOY-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB COc1cccc(CN(C)C(=O)c2ccccc2SCc2ccccc2F)c1OC 9635053 JBEFDGYUQMREJY-UHFFFAOYSA-N 425.525 5.407 0 40 IKAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)Nc3ccc(F)cc3)ccc2Cl)cc1C 9669754 FJCRSRBIEPAAPR-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c1 9817037 RRDJLLNVLTWGNI-UHFFFAOYSA-N 440.878 5.287 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4cc(Cl)cc5c4OCOC5)c(=O)c23)s1 9986304 DCSFVZBIVBJFPS-UHFFFAOYSA-N 430.938 5.063 0 40 IKAB Fc1ccccc1[C@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 10336742 SOEVTCLAOPWVQX-PMACEKPBSA-N 437.887 5.087 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1 12192326 DXNNSHORKDCYCN-AZGAKELHSA-N 445.349 7.389 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)Nc3cccc(C(N)=O)c3)CCOCC2)c(C)c1 12231628 NDMKNYNMYCTRCA-UHFFFAOYSA-N 442.559 5.047 0 40 IKAB Cc1ccc(NC(=O)c2nccnc2-c2nc3ccccc3s2)c(Br)c1 13016503 VRZKLNAFWLDCBR-UHFFFAOYSA-N 425.311 5.077 0 40 IKAB Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13025709 OTIGYZHMRKPGJD-XMMPIXPASA-N 434.511 5.170 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Cc1coc3cc(C)ccc13)CC2 13039375 NRJHPFVQJIMFPC-AREMUKBSSA-N 447.556 5.537 0 40 IKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 13145838 IUKLVEXLSTZUQX-IRXDYDNUSA-N 427.595 5.166 0 40 IKAB CN(C(=O)CSc1nn2c(-c3ccc(C(C)(C)C)cc3)nnc2s1)C1CCCCC1 13147784 SSDYSAPYYPOOGF-UHFFFAOYSA-N 443.642 5.034 0 40 IKAB Cc1ccccc1/C=C1\SC(=O)N[C@@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 13150175 DPFINXDAQAEMFU-PNBITYEWSA-N 439.540 5.690 0 40 IKAB CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 13500136 VOVWKJUKKGOZLP-DEOSSOPVSA-N 448.615 5.224 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1C 13578947 SFDQQEIGKUXRKU-QFIPXVFZSA-N 436.577 5.246 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc4ccccc4c3)cc2)cc1 15316038 BZIABSKZMMZNJD-UHFFFAOYSA-N 440.499 5.508 0 40 IKAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195481 NIFWAAXCOTWBHJ-NRFANRHFSA-N 432.347 5.404 0 40 IKAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl 16450356 KCCFPAJBOLQVHE-HZPDHXFCSA-N 449.382 5.743 0 40 IKAB Cn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccc(C(C)(C)C)cc1 16789087 PXWWQLNMUKXXOP-UHFFFAOYSA-N 441.600 6.422 0 40 IKAB Cc1ccc(NC(=O)OC/C=C/c2ccccc2)cc1NC(=O)OC/C=C\c1ccccc1 17024688 GXZKRNGRSMDMBL-YVKOIJOCSA-N 442.515 6.519 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2N2CCCC2)c1Cl 17095619 GRFRFMIUAJJOJV-UHFFFAOYSA-N 427.759 5.881 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 17097657 WSRDUXCRCBAEQW-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3O)nc2c1 17099506 WAXHORSXCKHGMF-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 17195150 IHUFGXDGWSHTLL-BXUZGUMPSA-N 442.393 5.043 0 40 IKAB Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccc(F)cc12 19565458 IKJSESGMBKPEPQ-DEOSSOPVSA-N 436.575 5.126 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19690667 VFAJLAJXHBALIR-AREMUKBSSA-N 446.547 5.068 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19761756 NZTQROPGBPFJIT-NRFANRHFSA-N 447.627 5.004 0 40 IKAB O=S(=O)(c1cc(Cl)ccc1Cl)N1c2ccccc2Oc2nc3ccccc3nc21 20030724 OOPOQWXHIHYHSO-UHFFFAOYSA-N 444.299 5.569 0 40 IKAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 20671402 KUVWRSCABUITLY-HNNXBMFYSA-N 438.915 5.122 0 40 IKAB O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)[C@@H](C1=CCCC=C1)c1ccccc1 21486793 KOTJGWZWXQEUDJ-IRLDBZIGSA-N 449.809 5.649 0 40 IKAB CSc1nc2ccc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)cc2s1 23968016 PJJQTBBFXUALGR-UHFFFAOYSA-N 439.562 5.383 0 40 IKAB Cc1nc(-c2ccc(NC(=O)c3cnn(-c4ccccc4F)c3C(F)(F)F)cc2)cs1 24843055 WORNGVQHWLSUEZ-UHFFFAOYSA-N 446.429 5.714 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(C)cc3C)sc2c1 32119245 PRMCENXTVRBNMV-UHFFFAOYSA-N 427.595 5.148 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)cc1C 32691665 KLVLUMWDOKSCCG-UHFFFAOYSA-N 425.557 6.158 0 40 IKAB Cc1nn(Cc2cccc(Cl)c2)c2nc(-c3ccc4c(c3)OCO4)cc(C(F)F)c12 36616805 NKHYGUWYRFUFEH-UHFFFAOYSA-N 427.838 5.775 0 40 IKAB Cc1ccc(S[C@@H](C)/C=C/NNC2=N[C@H](c3ccccc3)C(c3ccccc3)=NN2)cc1 38208455 XVFLOSRILJBFTA-WTYGBKJTSA-N 441.604 5.188 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 41154416 YNLNGNHXCKYVMY-UHFFFAOYSA-N 449.981 5.097 0 40 IKAB CC(=O)Nc1cc(C(=O)O[C@H](c2ccccc2)c2nc3cc(Cl)ccc3[nH]2)ccc1C 48325857 RCTPVFZNDSKNMV-JOCHJYFZSA-N 433.895 5.430 0 40 IKAB COc1cc(C)ccc1NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 48333976 ICPREOXKEWCLKC-UHFFFAOYSA-N 443.503 5.126 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 59186099 UOEBSWKESVNXRC-JAIQZWGSSA-N 429.825 6.431 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 59294261 BXPKGNGMSWTWAT-UHFFFAOYSA-N 429.520 5.983 0 40 IKAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 60614136 RHXIOUPFWSUEBZ-TZMCWYRMSA-N 443.263 5.487 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 67216946 DHAGJVHBGCLNJZ-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2ccc(Br)cc2)s1 71326550 PFVNBUUXBMOTJM-UHFFFAOYSA-N 430.371 5.450 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCN(c2ccc(C(F)(F)F)cn2)CC1 96791825 JFUUSLWVEXRTFH-UHFFFAOYSA-N 448.533 5.108 0 40 IKAB CC1(C)c2ccccc2N2[C@@H](C(=O)Nc3ccccc3)[C@@H]3C[C@]21Oc1ccc2ccccc2c13 100708803 PMHSFIULDHIJHK-UWBJMHDUSA-N 446.550 6.221 0 40 IKAB Cc1ccc(N2C(=O)N[C@H]3c4ccccc4O[C@@]2(C)[C@@H]3C(=O)Nc2ccc(C)cc2C)cc1 101353315 ABWDEAIBJNQQNL-DPZBCOQUSA-N 441.531 5.246 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(C(C)C)cc4)C3=N)n2)cc1OC 102732559 WSICUKJKZULVOS-UHFFFAOYSA-N 435.549 5.717 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)cc1 106971558 VIDFVVARRCJHJT-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 107027019 JQEWRQZDTZUBDN-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CN(c1ccc(C(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 108274571 IWUNPNIMIWSQDE-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC(C)Oc1cccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218882357 DXRSORDTRKQORK-UHFFFAOYSA-N 434.374 5.229 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222927973 FCLYSHYKFFZOAB-KRWDZBQOSA-N 449.422 5.566 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1 223131521 VPCVPVBMQDVMTM-RUZDIDTESA-N 448.994 5.252 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223591374 GWUJSCPFJXLEAV-RUZDIDTESA-N 436.640 5.640 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223916028 SCJDEJDWEPMFAU-DQEYMECFSA-N 439.588 5.115 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3OC(C)C)ccc2C)cc1 224047213 QUWIWFRIDSEARL-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224347433 BUXVXPKHODDDFH-LOSJGSFVSA-N 425.557 6.081 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224347657 WNHJNZQUXJTKRD-JWQCQUIFSA-N 443.547 6.220 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224406792 GWOFZFJXJOQOEB-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cccc(OC)c1 224588203 VAPMIDXIYUJAEK-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1CSc1ccc(Cl)cc1 224671682 JXIWBAINIUAGHA-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccc(Cl)cc1 224673091 MBEUSYDMSKVZMV-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 224703658 ASGOILYFLSEMBB-IBGZPJMESA-N 426.988 5.057 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224734144 MRCDFAGOWIYHEG-OAQYLSRUSA-N 438.637 5.343 0 40 IKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586879 WIAQNNBEQVJCKB-SFHVURJKSA-N 430.995 5.564 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225698568 XVFAYVQSTWHGOT-VGSWGCGISA-N 449.422 5.648 0 40 IKAB CC[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(OC)c(OC)c1 225719816 VKECUIMKAVXKRX-CQSZACIVSA-N 427.339 5.043 0 40 IKAB O=C(NCc1cccs1)C1(Cc2cccc(-c3ccc(F)c(F)c3)c2)CCOCC1 257203004 AOFXCVQBRVVXNP-UHFFFAOYSA-N 427.516 5.349 0 40 IKAB CC(C)n1c(CN2CCC[C@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 257212047 CBRTWPHQYDOXMV-QHCPKHFHSA-N 442.582 6.122 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2ccc3cnccc3c2)C1 257245625 IQJJCOXVRPRVCI-HSZRJFAPSA-N 436.555 5.084 0 40 IKAB C[C@@H](CCN1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1)c1ccccc1 257257937 KRRVGDGKIWCGOK-QFIPXVFZSA-N 427.592 5.052 0 40 IKAB CCc1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)on1 257259132 KWZGRYRYKSHAQF-GHTZIAJQSA-N 444.959 5.062 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 257288441 PUFFEZUMDPVJBC-MHZLTWQESA-N 430.592 5.952 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1F 408557893 QMGIJYGAAPKULT-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 408565498 LAAHRLMEVCHPON-FCDQGJHFSA-N 444.962 6.145 0 40 IKAB Cc1cc(S(=O)(=O)Nc2c(Cl)cccc2Cl)ccc1NC(=O)c1ccccc1 408602346 DAXRHCAXHFZTNZ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)sc2n1 408624159 USJMCRVKWJIVAI-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(I)c1OCC 409117038 PYSRWLJYLUGKAX-UHFFFAOYSA-N 425.310 5.263 0 40 IKAB O=S(=O)(Oc1ccccc1CNc1ccc(Oc2ccccc2)cc1)c1ccccc1 409117198 NRHRJSDZKQWIMR-UHFFFAOYSA-N 431.513 5.859 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1cccc(C)c1C 409120155 RZMPPOUWBZJTGJ-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(F)c1 409144309 XWRKOHXCKAYUQG-SFHVURJKSA-N 437.920 5.083 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)c2)cc1 409180101 WNIPNDUZOPGRBP-HHHXNRCGSA-N 449.506 6.028 0 40 IKAB COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@H](c2ccccc2)S3)cc1 409197083 VPLRFNJJSCZTQQ-DEOSSOPVSA-N 442.544 5.274 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(F)cc1 409377443 HZKPIQFZTKVZIX-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCc1ccccc1Cl)C2 643576254 SJWRDYBCVWFRFK-PKTZIBPZSA-N 440.031 5.358 0 40 IKAB O=C1NC[C@@]2(CCCCCCOc3ccccc31)CCCN(C(=O)CCC1CCCC1)C2 643588996 LMLUZPSYIVYXIA-HHHXNRCGSA-N 440.628 5.339 0 40 IKAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(Cc3ccccc3Cl)C[C@@H]1CCO2 1534646900 VJEMWNFRIZFNKK-PMACEKPBSA-N 426.988 5.713 0 40 IKAB CCCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872720 DWYPXLXOIGGGHF-GRSYGWAWSA-N 442.527 5.565 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 650517 OBQQOVKQNMCOOK-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 866508 GUUVTSIIXBWRTG-GDBMZVCRSA-N 440.878 5.819 0 40 IKAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3n2)c1 883767 KBTHVCLZNJDHRR-UHFFFAOYSA-N 446.816 5.329 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 1224187 LYSOKEQPVIFBJU-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccc(F)cc1 1353296 VHKZMFQCGRYNTN-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1438499 USRIMXSAOYGXLG-UHFFFAOYSA-N 447.387 5.171 0 40 IKAB O=C(OCCOC(=O)Oc1ccc(Cl)cc1Cl)Oc1ccc(Cl)cc1Cl 1698360 NMEYYSZPHSHVGA-UHFFFAOYSA-N 440.062 6.031 0 40 IKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(F)cc3)n2)cc1 2125696 GPHGLZBKPGKNKV-UHFFFAOYSA-N 425.463 5.461 0 40 IKAB biogenic Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 2179124 KOMCWCJPPGHPCS-MUUNZHRXSA-N 431.543 6.300 0 40 IKAB CC(C)CCNC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2395647 SGRFUHMNBVWLTC-UHFFFAOYSA-N 442.350 5.239 0 40 IKAB S=C1N[C@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@H]23)N1c1cccc(Cl)c1 2687394 LWZPLZNHNPFDOQ-HHXXYDBFSA-N 435.774 5.427 0 40 IKAB CC(C)c1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 3243177 KUYFMVVUNPBNMO-UHFFFAOYSA-N 448.975 6.138 0 40 IKAB COc1ccccc1OCC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655399 ZAOMVLWVEYSRDE-UHFFFAOYSA-N 435.863 5.343 0 40 IKAB O=C(NC(=S)NC1CCCCCCCCCCC1)c1cncc(Br)c1 4525312 BFOVSGKCWOSGDC-UHFFFAOYSA-N 426.424 5.122 0 40 IKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c12 4888831 QNXPHNFJXDRRAU-AWEZNQCLSA-N 425.623 5.755 0 40 IKAB CN(CC(=O)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21)Cc1ccccc1 5222036 XPPPKTYAYSLOEY-UHFFFAOYSA-N 428.479 5.967 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3c2C1 6059810 JBDOJOGACHQCBX-IBGZPJMESA-N 439.621 6.700 0 40 IKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1nc(-c2ccccc2)cs1)OCCO3 6195108 RCPBOPPGVWODGD-UHFFFAOYSA-N 449.557 5.169 0 40 IKAB O=S(=O)(c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)C(F)F 6474047 XVJKRSSNIUDZKT-UHFFFAOYSA-N 445.878 5.690 0 40 IKAB Oc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 6474908 SBJAIBUOMMFLGF-UHFFFAOYSA-N 428.344 6.239 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 8395937 UDIXAHMHOUVQON-KOWBDXASSA-N 447.560 5.423 0 40 IKAB CCOc1ccc(CC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 8601260 KVWGTQRZFXGUIJ-UHFFFAOYSA-N 434.483 5.129 0 40 IKAB COc1ccc(Cc2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)cc1 8753464 ROJRUPZTJIUBEG-UHFFFAOYSA-N 448.544 5.027 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 8830823 ZYDRIUGQFCYITA-UHFFFAOYSA-N 446.865 6.701 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c(c1)Cc1ccccc1-2 8832374 NAXZVPWARNCOFD-JXMROGBWSA-N 446.333 7.477 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 9546792 FAJGDCMPSXJDNF-UHFFFAOYSA-N 449.399 5.143 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 9607392 JKNYSLNVOFGIFN-LJQANCHMSA-N 439.302 5.955 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(Nc3ccc(Oc4ccccc4)cc3)s2)no1 9666180 HIFIJIZLURLYCG-UHFFFAOYSA-N 439.522 5.101 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c3ccccc3n2)c(OC)c1 12138987 LMZMQFSNSPOSBN-UHFFFAOYSA-N 431.517 5.045 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2cc(Cl)c(Cl)cc2Cl)cc1 12499883 GVIIAPAMYHFATJ-UHFFFAOYSA-N 445.799 5.836 0 40 IKAB CC(C)OCc1c(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)oc2ccccc12 12549367 HKYNWFQYQHBFEE-UHFFFAOYSA-N 443.587 7.078 0 40 IKAB CC(=O)c1sc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)nc1-c1ccccc1 12812812 RZQBXBMWYUOJHM-UHFFFAOYSA-N 446.532 5.009 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 13990893 VLXORPPFAPURIX-UHFFFAOYSA-N 430.548 5.108 0 40 IKAB CCCC(=O)Nc1cccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c1 14273094 KFUGTOYDBPJZBP-UHFFFAOYSA-N 443.758 6.020 0 40 IKAB CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@@H]1C 14690450 YDGOHTBOOYAVOP-FVJYYBGWSA-N 439.596 6.328 0 40 IKAB biogenic,in-vitro COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)cc1OC 15729508 LPXREVLKQSWCQN-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic CCOc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccc(C)cc1 15906394 JEJPHNKTVHWKPN-QHCPKHFHSA-N 426.438 6.060 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 16477983 KCDWHLCOMIFVEY-STZFKDTASA-N 434.289 5.373 0 40 IKAB Cc1cc(C)cc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)c1 16841232 LVHKTTDBURLDEO-UHFFFAOYSA-N 436.899 5.166 0 40 IKAB Cc1cc(C(F)(F)F)n2nc(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)c(Cl)c2n1 17101728 JNRLVUVTCKWFDC-UHFFFAOYSA-N 437.853 5.228 0 40 IKAB Cc1ccccc1[C@H]1C(/C=C2/SC(=S)N=C2O)=C(c2ccccc2)Oc2ccccc21 17138623 FPYPMIFTPVAAGV-VKIDYWOHSA-N 441.577 6.803 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(-c2ccccc2)cc1 20152197 VFUCPBTYDSALGY-UHFFFAOYSA-N 442.540 5.541 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3cccc(C)c3)c3c(C)oc(C)c3c(=O)c2)cc1 21782905 PTEGWDQMZICGFX-UHFFFAOYSA-N 428.484 6.003 0 40 IKAB CCCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 22074335 RPWKWUJZMGKXTM-UHFFFAOYSA-N 447.200 6.233 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)N(Cc3ccco3)Cc3c(F)cccc3Cl)oc2c1C 28251416 VXROHTGYLPRWAD-UHFFFAOYSA-N 439.870 5.638 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1c1nc2ccccc2s1 31393013 ZETJFTZKNARMNJ-GOSISDBHSA-N 437.952 5.901 0 40 IKAB Oc1nc(/C(Cl)=C\c2cccc(Br)c2)nc2scc(-c3cccs3)c12 33499686 ICGVYWSSJFCAIN-MDWZMJQESA-N 449.782 6.625 0 40 IKAB Cc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 33784414 VSNHCHKBVMOHNV-UHFFFAOYSA-N 429.781 6.297 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 35124227 GQQWJCZJLGALIT-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(Cl)cc2)s1 35671469 HZJZTJXAVMGOFQ-UHFFFAOYSA-N 442.953 5.700 0 40 IKAB CCC(=O)N1N=C(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)C[C@H]1c1ccccc1C 46085294 SHSMTMHIUJLQEG-MHZLTWQESA-N 447.582 6.915 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1-c1cc2ccccc2oc1=O 59477535 FQJLJGXQFRMYDJ-DTQAZKPQSA-N 447.490 6.680 0 40 IKAB O=C(Sc1ccc(Cl)cc1)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695183 FXIIUTZTLSHHTB-UHFFFAOYSA-N 449.325 5.938 0 40 IKAB O=C(Nc1nc(-c2ccccc2)cs1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 95481760 QLKAAEQFNBDCGN-LJQANCHMSA-N 439.540 5.054 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccccc1 100894267 KLPLEHBDKPPHRS-OAQYLSRUSA-N 427.895 5.240 0 40 IKAB COc1ccccc1C(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@@H]1c1ccco1 102680533 AHAKRYMTYTYSOB-CPJLOUKISA-N 428.488 6.004 0 40 IKAB CCOc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccc(C)cc1 108041361 WASNIBOTKNNTMP-UHFFFAOYSA-N 434.399 5.507 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108864219 MHPVRNIEPWMZQJ-YHDSQAASSA-N 444.604 5.239 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 205657484 YRBYELYATZBMKJ-FBCYGCLPSA-N 426.881 5.095 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl 222841871 YUGQRGLAZQSZFJ-ZDUSSCGKSA-N 432.800 5.772 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 223070902 NCRIQUNDNVQORJ-LJQANCHMSA-N 448.588 5.511 0 40 IKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccccc3Sc3ccccc3)ccc2O1 223663721 QZBMTVSHCKRKGN-UHFFFAOYSA-N 425.575 5.742 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 223763556 WETYONBZAYCIDB-HLILLCKBSA-N 446.616 5.700 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)c(C)c1 223952519 GGHJCLZBWKCTCT-XMMPIXPASA-N 436.577 5.294 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C(C)(C)C)cc1 224186806 DITPPRSPBBXREA-UHFFFAOYSA-N 431.576 6.749 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926657 CIULPJPSNAZKAF-UHFFFAOYSA-N 426.369 6.419 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(Oc2ccccc2)cc1 225284637 YWFYHZAPCMEARL-BWAHOGKJSA-N 438.483 5.790 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 225335016 DIYNIFZNSXSCDV-UXHICEINSA-N 429.998 5.761 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)Nc3ccc(Cl)cc3)c2)cc1 225464591 ITMDPBREDLMHTE-UHFFFAOYSA-N 437.996 6.699 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225494219 XVMUBYMEDCWJQG-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225585315 CVTFWRBIWAYQDI-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225651986 GAMGZEYZJKKICL-AREMUKBSSA-N 432.649 5.892 0 40 IKAB COc1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c2cccnc12 225877629 SBBDMIKHJNLKRY-UHFFFAOYSA-N 440.012 6.129 0 40 IKAB CC(C)Cc1nc(CCc2cc(Cl)cc(Cl)c2)c(C(=O)O)cc1-c1ccccc1F 257336812 YQDBCISBKOJKAW-UHFFFAOYSA-N 446.349 6.876 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(OC)c(Br)c2)n(CC)c1-c1ccccc1 408561978 MHVUCOGHSKSUAG-LNVKXUELSA-N 445.382 5.311 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c1 408578330 XNQMWLOMCMQDAB-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(Br)c(Cl)c2)cc1 408581638 YFLLZRZSWSYGBQ-UHFFFAOYSA-N 435.774 6.349 0 40 IKAB COc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 408585750 HXOXRNJDDKFXOF-UHFFFAOYSA-N 425.278 5.164 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)ccc1NC(=O)c1ccc(Cl)cc1 408606396 LVXALOJDEMORDE-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)o2)cc1 408632005 CLQPFAKBKQUCKX-MOSHPQCFSA-N 434.473 5.217 0 40 IKAB CCCCOc1ccc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)cc1OC 408801673 VECZPWLFDOCJGW-UHFFFAOYSA-N 431.965 5.599 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1C 409017610 SJZPZBYWWKKYIN-UHFFFAOYSA-N 447.560 5.446 0 40 IKAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409192541 YOZBEBMJKXOPLA-XDHOZWIPSA-N 439.876 5.628 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 409243959 ZRVLNSQVUMEQFA-DDLUMYACSA-N 442.943 5.317 0 40 IKAB O=C1CS[C]2NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N21 409416321 VHHLTEXNQLMOOY-KFGZODLXSA-N 442.391 6.182 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 2037845937 ICIMEVDLGVJNRD-QGZVFWFLSA-N 437.902 5.559 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1C 884562 BZDXKSLUNASKDU-UHFFFAOYSA-N 447.629 5.283 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Oc1cccc(Nc2ncnc3ccccc23)c1 949620 NRSAFPJFQJRCJH-UHFFFAOYSA-N 440.286 5.665 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 1007596 KLPXFZAJJDCXLC-OCKHKDLRSA-N 431.344 6.053 0 40 IKAB CCOc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 1243004 SLMUOMQHQKEXQR-UHFFFAOYSA-N 449.601 6.137 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccccc1 1339035 QXEORUWXSFGSTH-DEOSSOPVSA-N 431.511 5.058 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OCC)CCc1ccccc1-3 1797901 FIRMHLSKJSPIII-UHFFFAOYSA-N 448.613 6.114 0 40 IKAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(=O)c2c[nH]c3ccccc23)cc1 1994037 DXUZSARVZBTYNL-UHFFFAOYSA-N 425.440 5.212 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1ccc2ccccc2c1 2053479 AQYKJPDUVORJKN-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC(=O)Oc1ccc2ccccc2c1[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 2063566 FHMFSAXHYBWGIS-HHHXNRCGSA-N 443.930 5.867 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccccc1F 2329272 HFEXQTDRLUZHGK-SANMLTNESA-N 433.567 6.574 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)C(C)(C)n1cc(Cl)cn1 2728747 CTPQOKUIFOYQHU-UHFFFAOYSA-N 440.762 5.079 0 40 IKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 2795768 GFMAIHAFJZGNLS-ZDUSSCGKSA-N 435.973 5.419 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 3012603 WUMOCZDSOZCCRD-OALUTQOASA-N 448.876 6.066 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1OC 3229436 HDWIYJGQVXPCJJ-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(-c2cccs2)nc2ccccc12 3235804 LLRCHDMFLQSIQR-UHFFFAOYSA-N 428.513 5.100 0 40 IKAB Cc1cc(OCc2ccc(Br)cc2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 3269544 YSEQCGJSSJHAGT-UHFFFAOYSA-N 449.344 6.342 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(Cl)c(Cl)c1 3279869 SGNIRKMLZOJBFD-UHFFFAOYSA-N 428.138 6.132 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 3450724 GBQWTCRQMVKKHB-QGZVFWFLSA-N 434.590 5.199 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C[C@H]1CCCO1 3504291 XNHXVLSNARLKHW-GOSISDBHSA-N 443.594 5.079 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)CC1 4106482 LGTTYYPNUGDLHT-UHFFFAOYSA-N 441.453 5.164 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237406 KFTWVHDSRPUIOH-FXAWDEMLSA-N 432.589 5.256 0 40 IKAB biogenic,in-vitro Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 5451301 ZLFVGLCFVSWFMP-MHZLTWQESA-N 426.560 5.856 0 40 IKAB C[C@@H]1C[C@H](C[C@H]2CC[C@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 6468392 MBAJXSUVUDTNQG-SQDPYLFBSA-N 426.557 5.032 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)c(C)c1 8452483 RFVBBRWHORINCC-UHFFFAOYSA-N 443.330 5.880 0 40 IKAB CCCSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)n1-c1ccccc1 8763007 YBROUMKFGNRKRY-UHFFFAOYSA-N 426.549 5.413 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 9187180 FZZUFALWMYBLHC-FQEVSTJZSA-N 444.899 5.806 0 40 IKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H]1C 9272006 IOJSASXMHFMQDT-UGITZUONSA-N 434.451 7.353 0 40 IKAB CC(C)c1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292690 PKHQQOBSUHZADT-LADGPHEKSA-N 436.386 7.613 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5cccc(C)c5C)c(N)c24)CCCC3)o1 9311293 PHHNTCSYWYASPR-UHFFFAOYSA-N 431.561 6.195 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@@H]2c1ccccc1 9359131 JNLDXIXXJLEURE-HXUWFJFHSA-N 426.863 5.436 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)c1 9365116 BRIBCVPVMIIUGA-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 9494033 QFVVEYSJLJWPQN-OAHLLOKOSA-N 442.894 5.103 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 9525782 FTKVUILZGQHVAO-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1)c1cccs1 9595372 HEACRBKCHWJJBV-KRWDZBQOSA-N 447.585 5.630 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(oc3ccccc32)c1=O 9749459 CJHYGPDZOMKCBU-UHFFFAOYSA-N 435.549 5.290 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1CCC(C)C 9751385 NEGVNXPCBIMJSD-UHFFFAOYSA-N 449.576 5.482 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)nc2c1Cc1ccccc1O2)Nc1ccccc1 9859638 LWKCJERJKAJUQO-UHFFFAOYSA-N 443.503 5.710 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc(N2CCN(C(=O)c3ccccc3C)CC2)c(Cl)c1 9972106 PAKKQWXBMQCCSO-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c12 10220415 WJOLTFNYERRQHX-UHFFFAOYSA-N 431.710 5.941 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)cc1 10253996 MIGTWNUSSDNKNH-UHFFFAOYSA-N 427.895 6.313 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 12843142 WJQPYPNKJIJJPL-UHFFFAOYSA-N 445.582 5.698 0 40 IKAB CC(C)n1ncc2cc(C(=O)Nc3nc(-c4ccc(Br)cc4)cs3)cnc21 12854196 WCVWBGNYRZNFOG-UHFFFAOYSA-N 442.342 5.151 0 40 IKAB CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S 13071830 RWGDUDCBAGTJRV-BEFAXECRSA-N 439.456 6.581 0 40 IKAB CC(C)[C@@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc2c(c1)OCCCO2 13095954 WYHITTLVCCJWOZ-HHHXNRCGSA-N 429.516 5.803 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 13512451 XTVOOFBBGVVFRU-MRXNPFEDSA-N 448.548 5.195 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4)ccc32)cc1 13583685 GEIJIVQMMYAXPJ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1C 13936102 WCOKWMZYCNDGBQ-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 14154521 FOQICLLKJUPPGL-UHFFFAOYSA-N 432.589 6.070 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 14270142 RSGKUSPXXOMKFZ-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cc(=O)c2ccccc2o1 14625083 QSHJDULJGIAIPH-UHFFFAOYSA-N 436.539 5.959 0 40 IKAB Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Br)cc3)C2)cc1 15134580 ZFZFIPCBJCQXCI-NRFANRHFSA-N 446.175 7.112 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cccc(Cl)c3C)nc2c1 15865458 HNQGCCJURFLOJW-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COc1cc(Cl)c(S(=O)(=O)Nc2ccc(-c3cn4ccccc4n3)cc2)cc1Cl 16780417 LAKSMPIUGZOORZ-UHFFFAOYSA-N 448.331 5.118 0 40 IKAB C(=C/CN(Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1 16969261 DROKKWZETPKKGN-BUHFOSPRSA-N 446.638 6.947 0 40 IKAB O=C(CCC1CCCC1)N1CCC[C@@H](c2nc(N3CCCCC3)ncc2-c2cccnc2)C1 19340747 LMQZRKRICPWHMV-HSZRJFAPSA-N 447.627 5.205 0 40 IKAB O=C(C1CCCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373323 JICXTXZBOMFRTQ-UHFFFAOYSA-N 427.552 5.178 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3c(C)ccc(C)c3s2)cc1Cl 19631352 ZWAKTTJBUGZYRR-UHFFFAOYSA-N 440.377 5.355 0 40 IKAB N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@H](O)c1ccc(Cl)c(Cl)c1 19707782 IXCLYGIZJDSJSJ-NRFANRHFSA-N 446.765 5.664 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n(C[C@@H]2CCCO2)c1C 21568059 GGEYCMVUZRFYND-DYVFJYSZSA-N 428.385 5.105 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1 22529466 FESHMKOUVRWILH-SFHVURJKSA-N 431.273 5.241 0 40 IKAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22785918 BXMCUNCVLRHANP-GOSISDBHSA-N 432.955 5.422 0 40 IKAB CC(=O)c1c(-c2ccc(Oc3ccccc3)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 26441965 WDJKDEOYNODPQS-UHFFFAOYSA-N 446.550 7.406 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2C)c1 27752827 LFAOGNVJKWCABU-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 30862944 KMKVNOIKIOGGSZ-NRFANRHFSA-N 443.587 6.546 0 40 IKAB O=C(COC(=O)c1ccccc1Oc1ccccc1)Nc1ccc(Br)cc1 32838742 VIYJFQPNPQGCCR-UHFFFAOYSA-N 426.266 5.037 0 40 IKAB O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CC[C@H](c2ccccc2)C1 34744578 RPTFVODIFRLGMY-FQEVSTJZSA-N 435.483 5.780 0 40 IKAB Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@H]3CCC[C@H]32)cc1 36377922 QZEOZXJABDDEGH-GRKNLSHJSA-N 427.591 8.372 0 40 IKAB in-vitro CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCC1 38752931 JAONOXCOKMHYSD-QHCPKHFHSA-N 428.985 5.129 0 40 IKAB c1ccc(-c2cc(-c3nn4c(CN5CCCCC5)nnc4s3)c3ccccc3n2)cc1 40267339 VVHJLKFVGYREON-UHFFFAOYSA-N 426.549 5.054 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3c[nH]c4ccc(Br)cc34)N=C2S)cc1 44599099 GYSKULOPYRTTDQ-NVMNQCDNSA-N 442.338 5.003 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccccc1 44899919 YRYVSBRJCUXGEH-FQEVSTJZSA-N 428.941 5.022 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)c12 48273782 FRWWHWLLAOZVPS-UHFFFAOYSA-N 446.454 5.597 0 40 IKAB CCN1/C(=C/c2c(/C=C3\Sc4ccccc4N3CC)c(=O)c2=O)Sc2ccccc21 57478242 GCSGCKQJUNHUGG-JZTLMNBPSA-N 432.570 5.144 0 40 IKAB COc1ccc(Cn2c(SCc3cc(F)cc(F)c3)nc3ccsc3c2=O)cc1 71327627 URRIFAJZDWRFJZ-UHFFFAOYSA-N 430.501 5.085 0 40 IKAB O=C(Nc1nnc(-c2ccccn2)s1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 72275190 AGOPHQFZQLUJOO-UHFFFAOYSA-N 447.486 5.596 0 40 IKAB CC(C)Nc1n[nH]c2nc(C3CCN(C(=O)C4CCCCC4)CC3)cc(C(F)(F)F)c12 72374107 SGSPTRSMIRRSPG-UHFFFAOYSA-N 437.510 5.083 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@@H]4CCCO4)C3)noc2n1 72390267 ZRYYQWFOXLENCQ-CABCVRRESA-N 439.478 5.030 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1 77286603 CJUZRVVXJPNXNH-IVNKROKLSA-N 426.685 7.736 0 40 IKAB O=C(CN(C(=O)c1ccccc1)c1ccccc1)Nc1ccc2nc(-c3ccccn3)oc2c1 95991393 RLKIPJZRRKOPRP-UHFFFAOYSA-N 448.482 5.175 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC2CCN(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)cc1 98212631 QTIYUOAMWSANJG-UHFFFAOYSA-N 436.987 5.426 0 40 IKAB COc1cccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)c1 100426880 GEBFSSNLCIRKTA-WXTAPIANSA-N 430.935 6.978 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1S[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100912583 SLILXNMJPQWWCE-HXUWFJFHSA-N 436.920 5.017 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 101998990 ZYKQWNZRABBVDS-SANMLTNESA-N 446.547 6.254 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 102704709 FWDPHRPQKVGFJL-UWPQIUOOSA-N 446.506 5.060 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CCC2)c1ccccc1 103083322 RHQWLVDODADEQQ-MNDPQUGUSA-N 439.536 6.213 0 40 IKAB CC(=O)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913425 XRPYRCCVSZYAQT-BDFLAVSISA-N 428.657 6.893 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215261333 VEZZBSRDCQVDQZ-RGVLZGJSSA-N 427.884 5.877 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c(C)c1 216240462 PQWDBOZCKNYRKG-XMMPIXPASA-N 448.588 5.220 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CC(c1ccccc1)c1ccccc1 219133416 LYNRXRXLLRMMNU-UHFFFAOYSA-N 431.923 5.571 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 223258091 ZJIXNXRSMWFIMZ-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223321527 UXDNNQIXORMLRP-GOSISDBHSA-N 449.422 5.486 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 224086852 PQMHUCRJLKZOTJ-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COc1ccc(C)cc1 224123770 VYUQRKBCNSSZES-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c1C 224229922 DSZGVCKVGALYFN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 224330663 MVBJJFJKIUIRJM-DQEYMECFSA-N 439.588 5.315 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(OC)cc1 224598931 JWSNSYBICWEZFX-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 224726960 CZLXPMQPBGINQK-QHCPKHFHSA-N 445.003 5.079 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224834900 BPAVEAZFGMGLRK-DNQXCXABSA-N 448.592 5.193 0 40 IKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)c1ccc(Cl)cc1 224966473 CMQZZRNHKXLKDW-OAHLLOKOSA-N 437.326 6.806 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225493894 KVSYOSIGLGJIKY-PGRDOPGGSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225526189 REOYGZIGDGNMKI-JTSKRJEESA-N 432.967 5.052 0 40 IKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225612176 QTDCNQDCADCEIB-UHFFFAOYSA-N 436.927 6.108 0 40 IKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1OCC 225750787 YJPBTHHCRNULKZ-GFCCVEGCSA-N 441.366 5.433 0 40 IKAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225841760 PZVMZOREVJKPMV-UHFFFAOYSA-N 437.908 5.254 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@H](C)[C@H]32)ccc1OCc1c(C)noc1C 245284653 SWKLBDWPNPBGNR-RNVMLOFYSA-N 438.568 5.319 0 40 IKAB COc1ccccc1-c1cccc(CC2(C(=O)N[C@@H](C)CN3CCCC3)CCCCC2)c1 257217085 CXJCENKXMUBNLV-QFIPXVFZSA-N 434.624 5.456 0 40 IKAB Cc1cc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3cc(F)ccc23)[nH]n1 257281433 OPEKVEXSRVLAQZ-UHFFFAOYSA-N 425.508 5.264 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Cl 408559188 XVENOENZMBYWQA-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB S=C(NC[C@H]1CCCO1)c1cc(Br)ccc1OCc1ccccc1Cl 408571993 DSYAKCVREWIZLV-OAHLLOKOSA-N 440.790 5.126 0 40 IKAB COc1ccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)cc1 408618235 FEQHOGBQPDHQLP-UHFFFAOYSA-N 439.294 7.285 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408974389 ZACXNGBYHRBFRX-XMMPIXPASA-N 436.964 5.409 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 409110230 UPUHSMAPVOKNPB-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1Cl 409117344 QXWJIPJKMDUACS-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cccc2ccccc12 409349624 QEGFMPFLUQJUQZ-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409374912 BMSUMRYCONYJKQ-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cccc(-c3ncco3)c2)c1 543311735 QXEWPTFAAZRJPA-LOSJGSFVSA-N 439.515 6.113 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1222723 LBTGKDIGDZEWPQ-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1341528 YQPRZAIZWPRKHE-DEOSSOPVSA-N 432.520 5.125 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)c1c[nH]c(C(=O)NCc2ccco2)c1 1394638 AQECGCAEAMGGDU-UHFFFAOYSA-N 444.274 5.039 0 40 IKAB Cc1nc(N[C@@H](C)CCc2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1833070 JVFYHIQNPIFKMT-HNNXBMFYSA-N 432.593 5.832 0 40 IKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)c1ccc(-c2ccccc2)cc1 2294201 DIECXKABQZFMFT-UHFFFAOYSA-N 432.475 6.389 0 40 IKAB biogenic O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 2305484 TVPBGVRLADZYID-ZBFHGGJFSA-N 440.878 5.188 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 2377886 LDNOEDBPXLUFCK-SDHSZQHLSA-N 440.543 5.344 0 40 IKAB O=C(/C=C/c1ccccc1)OCC(=O)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 2684837 KMUAGZCSLDTRIV-GIDUJCDVSA-N 443.890 5.027 0 40 IKAB O=C(N[C@@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3106843 ZJHWUEYNXOYDMU-CQSZACIVSA-N 446.976 6.185 0 40 IKAB CCOc1cccc(NP(=O)(Oc2cccc(C)c2C)Oc2cccc(C)c2C)c1 3177027 XQUDUTAJXKXVON-UHFFFAOYSA-N 425.465 6.997 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)cc2Cl)n1C1CCCCC1 3274552 HZKXQCPCKJQTIT-UHFFFAOYSA-N 436.383 7.189 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655437 UIVPUEFKABLEFJ-UHFFFAOYSA-N 431.463 6.234 0 40 IKAB Cc1ccc(NC(=O)C(C(=O)Nc2ccc(C)cc2)=C2NC(C)(C)Cc3ccccc32)cc1 8430855 CIHBXJUQCUNMQL-UHFFFAOYSA-N 439.559 5.216 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccccc1 8432348 CYGKPEUBZRMLNW-NRFANRHFSA-N 435.321 5.449 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)NC45CC6CC(CC(C6)C4)C5)sc3n2)cc1 8451049 SHDXMOPAJQGQNF-UHFFFAOYSA-N 433.577 5.253 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1Cl 8756973 KCCIPOWDYVGVEX-UHFFFAOYSA-N 428.001 6.243 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CC1=O 8828216 JIWBVOQUBNCVRZ-JOCHJYFZSA-N 439.559 5.724 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)c1 8832093 URFAEVKSCCYWQU-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 8918081 MBFGSOVOGFPPMA-MGZHDZRPSA-N 448.607 5.682 0 40 IKAB biogenic Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c(Cl)c1 9046363 MABCNGAYVJTSEX-IFMALSPDSA-N 429.734 6.889 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N(C3=N[C@H](C)CS3)c3ccc(Cl)cc3)o2)cc1 9125588 DUDGQNKMCPBVKU-CQSZACIVSA-N 438.936 5.941 0 40 IKAB Cc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(Cl)c2)cc1 9243062 BEKBGORGIGIJBE-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nnc(C)s1)C3=O 9304561 ZFRVRFXYASIJKP-HXUWFJFHSA-N 431.517 5.135 0 40 IKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccccc1SC[C@H]1CCCO1 9466473 BEWSVZCEGXDCSV-GOSISDBHSA-N 435.574 5.586 0 40 IKAB O=S(=O)(c1ccc(Br)s1)N1CCCC[C@H]1c1nc2ccccc2s1 9798352 KCKWPUMKVGCHJW-LBPRGKRZSA-N 443.413 5.036 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1ccccc1 9805341 IJIJQOFOMZCMDR-LPYMAVHISA-N 447.918 5.971 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 9908160 GAULQINIFITMPT-DEOSSOPVSA-N 438.499 5.034 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nnc1C1CC1 12735123 WQKSUNBTXRBLQA-IBGZPJMESA-N 436.606 5.148 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)nn(CN(C)[C@H](C)c2nc3ccccc3s2)c1=S 12805907 QGGVUAZZKMAKAL-CQSZACIVSA-N 444.029 6.015 0 40 IKAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12944881 FNDHWZVQRXEWMF-MRXNPFEDSA-N 439.462 5.028 0 40 IKAB Cc1ccc(C)n1-c1sccc1-c1cc2nc(C(F)(F)F)cc(C(F)(F)F)n2n1 12955267 DGGAHWQFAUVFJD-UHFFFAOYSA-N 430.377 5.903 0 40 IKAB CCc1nnc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)s1 13499942 JGMVJNBGQJLYSR-UHFFFAOYSA-N 447.655 5.501 0 40 IKAB COc1cc2c(cc1NC(=O)C[C@H]1c3ccccc3C=CN1C(C)=O)oc1ccccc12 15603215 QNYXKYPWBSSHES-QFIPXVFZSA-N 426.472 5.497 0 40 IKAB CC(C)CCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)c1 16749933 RDTSIUBRUZALIF-DEOSSOPVSA-N 443.499 5.556 0 40 IKAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1ccc(Oc2ccccc2)cc1 16768764 GNZHPUQKKKOHAH-UHFFFAOYSA-N 434.546 5.770 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nc3ccsc3c2=O)cc1 16842957 SFNRUOHBHHKAHT-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB Cc1cccc(-c2nc(C)c(CCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)s2)c1 17135519 MIAUSFGHANSCBW-UHFFFAOYSA-N 448.613 5.615 0 40 IKAB CCOC(=O)COc1ccc([C@@H](CC)[C@@H](CC)c2ccc(OCC(=O)OCC)cc2)cc1 17288135 SBZLDGZXZCEWMB-PSWAGMNNSA-N 442.552 5.258 0 40 IKAB Cn1c(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc2cc(F)ccc21 19289742 RNFGFMXIJGHWBX-CYBMUJFWSA-N 444.432 5.232 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)ccc3OC)cc2s1 19646878 FJWYTYZOMLKMDZ-UHFFFAOYSA-N 448.342 5.058 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)c(C)c3)sc2c1 20411539 SDTUSDBSVRRMSC-UHFFFAOYSA-N 432.929 5.233 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 20568077 NYASSOTUFCPHOD-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CN1CCCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(C3CCCC3)c2=S)CC1 22038944 WZXUMOOOZFAVTE-UHFFFAOYSA-N 427.662 5.089 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 22532283 NUCVVAUYUCCSDI-NRFANRHFSA-N 442.968 5.330 0 40 IKAB CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cc(C)cc(C)c2)cc1 23125761 CIZGUDWKOMMQRX-UHFFFAOYSA-N 428.579 5.005 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30943325 POMHTLROKNOQMD-HXUWFJFHSA-N 428.960 5.148 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccccc3Br)sc2c1 32119115 CJIFRYAXBZTMPQ-UHFFFAOYSA-N 448.411 5.528 0 40 IKAB CCCn1c(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc2cc(Cl)ccc21 32745328 KDWHYLGJTXRKEM-CYBMUJFWSA-N 428.945 6.012 0 40 IKAB CN(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C(C)(C)C)cc1)CC2 33497288 ZKZUYALEQVKFNS-MNDPQUGUSA-N 442.559 5.264 0 40 IKAB CCOC(=O)N1CCC(C(=O)N(Cc2cccc(F)c2)[C@@H](CC)c2ccc(F)cc2)CC1 40146392 XGJHTOVAUQVABK-QHCPKHFHSA-N 444.522 5.313 0 40 IKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1cccc(C(F)(F)F)c1 41078102 CCSPMOGODWBGQY-UHFFFAOYSA-N 431.458 5.608 0 40 IKAB Cc1nn(-c2cccc(Cl)c2)c(Cl)c1CNCc1cccc(Cn2ccnc2C)c1 48234809 MHZBAIUJXMGPFM-UHFFFAOYSA-N 440.378 5.331 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1 57426288 LKINQNALMRXKAP-UHFFFAOYSA-N 429.611 5.187 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CCOc3cccc(F)c3)n2)sc1C 72375666 XNVSLLDOTHRTQF-HXUWFJFHSA-N 440.544 5.170 0 40 IKAB CC(C)S(=O)(=O)c1ccccc1C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 78449080 PLVBIKCANXAWOY-UHFFFAOYSA-N 442.968 5.387 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccnc2)no1)C(c1ccccc1)c1ccccc1 96102961 WSQWEQCDVDPULP-UHFFFAOYSA-N 446.510 5.493 0 40 IKAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 96581561 ROJAJBSDMWJQBH-SJORKVTESA-N 444.553 5.557 0 40 IKAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1ccc(Br)c(C(F)(F)F)c1 98072902 GDHARMLZVNCLFL-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102731194 PFSVTUWTNIYLCO-VGOFRKELSA-N 430.460 5.083 0 40 IKAB CCO[C@@H]1C[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 118936683 FEDFCOPSAFXWTA-GZJUWTJPSA-N 428.613 6.164 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)cc1 222781762 VASMTGVFTNKHGI-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222787042 FEVYZATVRQOWON-SFHVURJKSA-N 447.044 5.463 0 40 IKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223354488 UNJOXYFFQBLGTI-MHZLTWQESA-N 428.576 5.306 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(CC)cc1 223807216 DYSFDVDPYWRORC-QHCPKHFHSA-N 445.003 5.005 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224153991 RCNVFQKRXZQRAV-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224323973 WCTVNUODMLILRE-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1cccc(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224820525 YDFRBYLMKVQYNX-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225194802 VDJTXONZFJVPFR-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 225294174 BRQPKFJGZXUZMA-UHFFFAOYSA-N 434.757 5.107 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 225369615 XERKWLUNFKONSC-SANMLTNESA-N 434.624 5.226 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225635482 DVOZRPBUQBNMPX-DVECYGJZSA-N 443.031 5.557 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 245295493 GJAOEHUVPAJIOT-LDTXMFMOSA-N 446.591 5.106 0 40 IKAB Cn1cc(CN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c2ccccc21 257234686 GUQPFSROKGEIQM-QFIPXVFZSA-N 429.995 6.197 0 40 IKAB COc1ccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC(F)F 257243185 IFUWBSXZTZMXBR-BCIHVMRBSA-N 425.516 5.094 0 40 IKAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257338217 YWLUXEHAZPRRCC-QHCPKHFHSA-N 448.473 5.301 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)O)n[nH]1 408630786 CPCRIHUJXWKZSS-YBEGLDIGSA-N 448.342 5.306 0 40 IKAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)n2c(C)ccc2C)c1 408682612 JVPBDYHKFOAFMM-UHFFFAOYSA-N 431.319 5.082 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)c1 408727262 VLSSJVAHTZHTNS-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB O=C1N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1F 409074961 VTEHQAJKWZEALQ-MOSHPQCFSA-N 438.911 5.723 0 40 IKAB O=C(O)COc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Cl 409135411 VHCKWFVZXDDVBU-OVCLIPMQSA-N 444.336 5.073 0 40 IKAB Cc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Br)cc1 409207000 YGAIIKUCHIMGQP-KRWDZBQOSA-N 431.355 5.333 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 409217463 VQNZPRDAODJZTK-GZTJUZNOSA-N 448.352 6.979 0 40 IKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccc(Cl)cc2)n1 585266031 ZRANJWSNRRLQPD-UHFFFAOYSA-N 432.303 6.121 0 40 IKAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(Cc3ccccc3)cc(C(F)(F)F)c12 664858 BLZICZKXDZKEKR-UHFFFAOYSA-N 445.441 5.880 0 40 IKAB COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O 872503 HBUBWCDENLTNGB-UHFFFAOYSA-N 435.863 5.140 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)cc1 900787 OLGAFUQNIBABHL-UHFFFAOYSA-N 445.544 5.235 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1F 901193 XMZIZIQMLGUOHC-CYBMUJFWSA-N 435.446 5.729 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)C(C)C)ccc3c2=O)cc1OC 939988 YSCFDDANBWDAGG-UHFFFAOYSA-N 436.382 5.057 0 40 IKAB biogenic Cc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 976993 QRLDVZLGSHOESQ-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 990835 BTKRYYFIAWLQBE-UHFFFAOYSA-N 426.472 5.339 0 40 IKAB O=C(CCSc1nnc2scc(-c3ccc(Cl)cc3)n12)Nc1ccc(F)cc1 1100454 ZSFHLXVMAMIKTG-UHFFFAOYSA-N 432.933 5.371 0 40 IKAB Cc1ccc(C(=O)c2c(NC(=O)CSc3nc(C)cc(C)n3)sc(C)c2C)cc1 1224366 PIBXQKSIZABULI-UHFFFAOYSA-N 425.579 5.042 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 1341592 OBBNQJFECBRUAD-QHCPKHFHSA-N 436.577 5.482 0 40 IKAB CCOC(=O)c1c2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2n2ccccc12 1398647 UNTVTPRKHBRMHS-UHFFFAOYSA-N 434.801 6.129 0 40 IKAB CC(C)CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1835596 FQAMJPYETWOKCR-UHFFFAOYSA-N 444.644 6.796 0 40 IKAB biogenic CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC)cc1 1866960 IFZXLUFTXQBRSN-NDEPHWFRSA-N 445.603 6.443 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3cccc(Cl)c3n2)cc1 2079592 QEJXKNYSDSTEDV-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB Cc1cc(C)cc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4-c4ccccc4)nn23)c1 2182981 XTWMEDCWMGUAMO-UHFFFAOYSA-N 448.555 5.989 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccco1 2235288 PNWLMQWXGKPEHK-UHFFFAOYSA-N 432.288 5.521 0 40 IKAB Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 2247524 BBVYPBPYLMIYJS-RTWAWAEBSA-N 436.899 5.345 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N(C)c3ccccc3)c2c1C 2625678 XQNMVRUQZKVLRS-UHFFFAOYSA-N 449.601 6.237 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 2725906 NUVAKAHUAKSROJ-QFIPXVFZSA-N 432.951 5.422 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 2975792 VCNVFAZVWVUTPC-RKOYOZNISA-N 447.604 5.059 0 40 IKAB O=P1(Nc2ccc(-c3ccccc3)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212476 RYXLINWIVJEECQ-UHFFFAOYSA-N 435.463 8.071 0 40 IKAB CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 6074166 SYRVZZMGHKURHM-UHFFFAOYSA-N 435.310 6.664 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)CC)cc2)cc1 6386583 XGYXEFWKOYMXMS-UHFFFAOYSA-N 427.570 5.121 0 40 IKAB Cc1cccc(C)c1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7929452 NBRCWVTYHNQMRC-NRFANRHFSA-N 427.544 5.588 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8755328 LWACZBVHEMEYTF-QFIPXVFZSA-N 439.559 5.588 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccccc1CN1CCCCC1 8776044 HJEDBEXJJJEVQA-UHFFFAOYSA-N 441.934 5.358 0 40 IKAB Cc1cc(N2CCN(c3ccccc3C)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 8845894 PTXQMAKQNKJDTM-UHFFFAOYSA-N 431.971 5.302 0 40 IKAB COc1ccc(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)c(OC)c1 9391735 YZEGOJWALCRQTI-UHFFFAOYSA-N 446.572 5.746 0 40 IKAB CSc1ncc(Cl)c(C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)n1 9431752 KSVPHAYFSFEPMA-UHFFFAOYSA-N 438.896 5.103 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120428 HXTKMRWTFYLEMB-LJQANCHMSA-N 428.532 6.219 0 40 IKAB COc1cc(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)c(OC)cc1Cl 10237017 CCXGFZSVZZFZHJ-UHFFFAOYSA-N 445.903 5.054 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cccc4C)cc3C[C@@H]2C)cc1 10326580 DFUCSMJYWNGLRQ-IBGZPJMESA-N 434.561 5.004 0 40 IKAB CCCOc1cc(Nc2ccc(NC(=O)Nc3ccc(F)c(Cl)c3)cc2)nc(C)n1 12225892 KWDCOCSJTSIVBK-UHFFFAOYSA-N 429.883 5.754 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 12374476 NMYYXEBZXDEMHM-MGAZVUHYSA-N 425.370 5.345 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2C)c(F)c1F 12651147 BMURASULOJXKLO-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB O=C1CC[C@H](COC(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)N1 12858335 NREJSXQJRNUTIH-LLVKDONJSA-N 449.721 5.297 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCc2ccc(F)cc2)c1 13108798 BXKGFHXCTNVSNW-UHFFFAOYSA-N 432.495 5.283 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(C2CC2)n1Cc1ccccc1 13128003 VWLZDWZYXOCTBQ-UHFFFAOYSA-N 435.984 5.644 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 13149264 BUZUHPLEESNFGI-ZDUSSCGKSA-N 441.578 5.817 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 16195560 PYASDSYRPSPBTE-UHFFFAOYSA-N 429.875 5.055 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 16284439 ZVLWCBSAEAJJFZ-UHFFFAOYSA-N 436.515 5.922 0 40 IKAB Cc1ccc(-c2nnc(SCc3cccc(Br)c3)n2Cc2ccco2)cc1 16788781 GFCQHUXYWSSZJS-UHFFFAOYSA-N 440.366 5.950 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(Cl)c4)cc3n2)cc1 19648316 JUXPTPIHYWROLV-UHFFFAOYSA-N 448.954 5.986 0 40 IKAB COc1ccc(CC(=O)N2CCC(c3cc(-c4ccc(OC)cc4)cc(C)n3)CC2)cc1 19691092 OOCQENQMYZTHFY-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CCCN2C(=O)c2nc3ccc(F)cc3[nH]2)n1 19692077 UQNGGBUVYVJQRE-DEOSSOPVSA-N 428.511 5.282 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccc(Cl)cc2Cl)o1 19928639 WJYPTFODVXJBEM-UHFFFAOYSA-N 429.712 5.680 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2ccc(C)c(C)c2)cc1 19947021 DEIQRGARUVLOIZ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CSCc2ccccc2)cc1 20238999 DIWGHBZNYQYAQU-UHFFFAOYSA-N 435.898 7.045 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(Cl)cc3)oc12 20285535 KEMMYBHJRIQTHP-GYHWCHFESA-N 425.893 5.160 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCC[C@H]2C)cc1 20381804 JQWLNIKOJZUWLS-OAHLLOKOSA-N 430.957 5.108 0 40 IKAB O=C(CSc1ncnc2ccsc12)N1N=C(c2cccs2)C[C@@H]1c1cccs1 26959784 JNZDEPHTPODRFO-CQSZACIVSA-N 442.616 5.284 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-n2cccc2)c1 27788900 JAFUGODCSZFGKL-UHFFFAOYSA-N 431.565 5.221 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 28689446 QUHSZXKBIVSFGZ-UHFFFAOYSA-N 429.545 6.580 0 40 IKAB CCn1c(=O)c(C)nc2cc(C(=O)Oc3cc4sc(C)nc4c4sccc34)ccc21 32738075 PYIUCGGGKSHMRL-UHFFFAOYSA-N 435.530 5.077 0 40 IKAB Fc1ccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)cc1 33262499 NSMVJMUSGBLDHU-UHFFFAOYSA-N 443.301 5.388 0 40 IKAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccccc3Cl)n2)cc1 33325048 LQURJAGHOATHNV-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 33733195 UFUBMRWBAWIVLG-CQSZACIVSA-N 449.407 5.697 0 40 IKAB Cc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1C 41076888 RZBVVCFTJLOIOE-UHFFFAOYSA-N 436.964 6.053 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2ccc(Cl)cc2)cc1 44087566 VDNHABLYDGYVQU-UHFFFAOYSA-N 425.985 5.606 0 40 IKAB Cn1c(CN[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)nc2ccccc21 49622855 ZMIYZWIDHMMCGR-JOCHJYFZSA-N 439.346 5.350 0 40 IKAB Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1C 57486341 QPJFKHMWUUSRDN-UHFFFAOYSA-N 430.617 7.092 0 40 IKAB Cc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl 58304490 WHPYYVHPMMYJDQ-HUUCEWRRSA-N 448.394 5.471 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c1 67209203 QAWHJAAMBAFZER-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Fc1ccc(-c2nnn3c2nc(NCc2ccc(Br)cc2)c2ccccc23)cc1 67261400 GVSIUMZFFQJNMM-UHFFFAOYSA-N 448.299 5.458 0 40 IKAB COc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c(OC)c1 67261466 ITRVMKFMCKAPGR-UHFFFAOYSA-N 445.910 5.227 0 40 IKAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 72345983 XSXMVRXBSYCTKP-KRWDZBQOSA-N 432.490 5.031 0 40 IKAB CCn1ncc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)c1C 72376645 NOUSDTGPGZYFKY-JOCHJYFZSA-N 439.007 5.115 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)NC1(c2nc(-c3ccncc3)no2)CCCCC1 77197436 NIPKJLGVNTWCTC-UHFFFAOYSA-N 431.418 5.132 0 40 IKAB COC(=O)C[C@H](c1ccccc1)c1c(OC)ccc2c(=O)c(-c3ccc(OC)cc3)coc12 85876242 GANPZDPJBQGNNC-OAQYLSRUSA-N 444.483 5.172 0 40 IKAB biogenic CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 95939603 JKJDGDFNXYOZJJ-HXUWFJFHSA-N 432.574 5.750 0 40 IKAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=O)N(c4ccccc4C)[C@@]2(C)Oc2ccccc23)c(C)c1 101353317 YJWJKGCDYMEKKK-DXBVXKBHSA-N 441.531 5.246 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)c(Cl)c3)c3ccccc3C2=O)c(C)c1 103005057 FZCXLEYCJGXKIJ-CPNJWEJPSA-N 437.326 6.250 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 222713612 HVBXVPCBGLKPCX-SZFUDVHCSA-N 444.387 6.628 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCc2cccc3ccccc23)ccc1C 222849283 FPIWKRVJKCNUTG-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 223024090 OSLIHIBYTYDZIB-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223030797 VQUUVWVESXDZIT-ZWKOTPCHSA-N 433.017 5.154 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223040224 KLFPHZWMSYQQMW-QFIPXVFZSA-N 430.592 5.414 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 223793202 ZWLZSYLMCOPNBR-NRFANRHFSA-N 438.637 5.013 0 40 IKAB COc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1CSc1ccccc1 224329252 MJSWAHBPTFIGML-UHFFFAOYSA-N 436.552 5.089 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224351524 ZCSVWCWJSXQVDA-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OC 224419609 NWSJMMGBDIUTPN-UHFFFAOYSA-N 437.923 5.759 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)cc1 224524067 KZOLGLGZLBWURA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1 224528871 LTLKORJTOXKUFI-VGOFMYFVSA-N 426.925 5.101 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225014757 OJNIOWVQPQAFJF-YADHBBJMSA-N 440.653 5.177 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225035481 VZBYORLSTPVBHU-FCHUYYIVSA-N 436.640 5.557 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225474384 FBBCUGOKDMTIJP-GOSISDBHSA-N 433.017 5.154 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](CC(C)C)c1ccccc1 225488978 CJZRLMHCAYZQCG-QHKNXTSZSA-N 432.589 5.731 0 40 IKAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cn1c23 226093980 VYAUCMHGRXSYCE-JTQLQIEISA-N 440.343 5.409 0 40 IKAB FC(F)(F)c1nnc2sc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)nn12 226298592 DRGYPHZKZZCIRP-UHFFFAOYSA-N 445.253 5.757 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Cl)c(Cl)c1 408595296 LZILSZICPXQRKK-UHFFFAOYSA-N 427.662 5.792 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 408620974 KVKLZYYGFIEUPI-QJMPUOCTSA-N 448.349 5.738 0 40 IKAB CC(C)n1cc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)c2ccccc21 408634624 SOQQFRCNCWQUSB-ODLFYWEKSA-N 438.940 5.879 0 40 IKAB COc1cccc(C(=O)C[C@H](c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408683492 LKKRQFZRKPUCHO-HSZRJFAPSA-N 428.937 5.445 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)c(C)c1 408699097 UPHDQDWPZADKAZ-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Br)c(Cl)c1O 408902625 OXPUMOOZWMBRJL-XYOKQWHBSA-N 440.702 5.058 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 408985650 OGFYJYFMRBROMI-HUUCEWRRSA-N 448.573 5.145 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(C(C)(C)C)cc4)cc3)C(=O)O2)c1 408989980 VWCMBSWKRDAKKE-ULJHMMPZSA-N 439.511 5.856 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1 409099291 KUYZQAAGBYFTAY-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccncc1 409101513 YQGLUEVYULPVCP-UHFFFAOYSA-N 436.368 5.034 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 409182989 QNCUNLWARPKKQG-HHHXNRCGSA-N 438.958 7.014 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)n3nc(C(F)(F)F)c(-c4ccccc4)c3n2)cc1 409227251 USEMQRGYENIEQD-UHFFFAOYSA-N 443.472 7.366 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ncccc3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 585262011 WYKUKUKNEJVMMG-HSZRJFAPSA-N 446.566 5.195 0 40 IKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2ccc(CCC)cc2)n1 585265904 UMCYVXPHHYAWEM-UHFFFAOYSA-N 435.520 5.776 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 606422411 XYWGHUBLYXUPOD-PBHICJAKSA-N 434.754 6.184 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)Cc2ccccc2Cl)Cc2ccccc21 643569536 IKFYORRIKPRBLU-UHFFFAOYSA-N 426.988 5.618 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccc(F)cc1 822400 UIIVXTYYKFNMRX-UHFFFAOYSA-N 447.578 6.014 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 835073 DTIPTHDNPOGTMU-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCc1cc([C@@H](c2ccc(OC)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1298671 QSXNDEJXZMLTSO-XMMPIXPASA-N 434.605 6.147 0 40 IKAB Cc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3NC=O)n2)cc1 1405024 ZSYFXYWISHQBJZ-UHFFFAOYSA-N 439.338 5.302 0 40 IKAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)c1 1436544 SBIHRMCKSCSROC-VWLOTQADSA-N 441.531 5.261 0 40 IKAB O=C(Oc1ccc(-c2ccc(Br)cc2)cc1Br)c1ccccc1 1621484 CUDIVYPVRZWHOI-UHFFFAOYSA-N 432.111 6.098 0 40 IKAB CCOc1ccc2nc(SCC(=O)N3c4ccc(C)cc4[C@H](C)CC3(C)C)sc2c1 1814788 RFQOYSCQNUZIDH-MRXNPFEDSA-N 440.634 6.415 0 40 IKAB CCOc1nnc(-c2ccccc2)c2c(-c3ccccc3)n(-c3ccc(Cl)cc3)nc12 2181195 SGZJAHJGZDATBN-UHFFFAOYSA-N 426.907 6.202 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)nc2-c2ccc(C)cc2)cc1 2321849 PZHFNSVYECDOGP-UHFFFAOYSA-N 444.535 5.692 0 40 IKAB C[C@@H]1CCc2c(c3ccccc3n2C(=O)CSc2nnc3sc4ccccc4n23)C1 2405260 RLDSOLCONSEVBU-CQSZACIVSA-N 432.574 5.456 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 2418917 VNTYUSAEMLMBIO-SFHVURJKSA-N 427.243 5.146 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)c(C)c2)cc1 2438681 TVQCHZFHDGMOMS-UHFFFAOYSA-N 428.532 5.548 0 40 IKAB CCCOc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2[C@H]1CCOC(C)(C)C1 2450764 YBIDGXYEKMQCHB-KKSFZXQISA-N 429.586 5.535 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(N4CCN(c5cccc(C(F)(F)F)c5)CC4)c23)C1 2679629 HPFJQVYJFJHSIU-AWEZNQCLSA-N 432.515 5.162 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3224647 NFFZEPVBWQBFLQ-XMHGGMMESA-N 425.575 5.657 0 40 IKAB Cc1nc(Oc2ccc3cc(Br)ccc3c2)c2c3c(sc2n1)C[C@@H](C)CC3 3340699 HZGWMHOAHJTQGP-LBPRGKRZSA-N 439.378 6.833 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCCOc4ccc(Br)cc4)c23)C1 3352646 AVHNNZGRPYNSHY-LBPRGKRZSA-N 435.412 5.750 0 40 IKAB CCCC1CCC(c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)CC1 3584821 GHFGKUJYRUJJNC-UHFFFAOYSA-N 425.370 7.240 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 3602439 CMEGDMBHSSKQKY-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C1N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 3652783 XYFJFHAMNQSPHX-UNOMPAQXSA-N 441.339 6.242 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 4163451 ZCLHYOSGLYGZBR-WNYOCNMUSA-N 444.457 5.157 0 40 IKAB C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4831516 XCDQFROEGGNAER-STHPEILVSA-N 428.745 8.249 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1c(F)cccc1Cl)C1CCCCC1 8606455 HGSFDGKBGCTBOW-UHFFFAOYSA-N 427.951 5.506 0 40 IKAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 8753111 GBRXORVSARAYTI-GOSISDBHSA-N 431.536 5.466 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(OC)cccc4OC)cc3n2)cc1 8832179 NGSIADGLFDDDFE-UHFFFAOYSA-N 444.535 5.341 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccccc1-c1nc2ccccc2s1 8920610 YMRYHPHGRFYXRJ-UHFFFAOYSA-N 442.584 7.029 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)c1 9281102 GKGUONZXUZEUJG-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 9328036 SOGSUPXSUJJEHD-UHFFFAOYSA-N 435.888 5.563 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2CCC(c3nc4ccccc4o3)CC2)o1 9377399 YMNDRHQXJVUYSB-UHFFFAOYSA-N 441.491 5.221 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)c1 9570204 PXPLGPCODUKFAY-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1 9601205 DCRWKJWPZSUSAW-UHFFFAOYSA-N 447.354 5.510 0 40 IKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Cl)ccc21 10059096 JOBPUNVYISLZDU-HHHXNRCGSA-N 447.962 5.779 0 40 IKAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](/C=C/c1ccccc1)C3 10156931 USYSZOCTEYRSOS-SXSDINLZSA-N 444.922 5.050 0 40 IKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cccc(OCc2cn3ccccc3n2)c1 11575473 XFLVNGKGAHZKNN-UHFFFAOYSA-N 426.520 5.074 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 12194092 XSZDHVSPNKKBEJ-IXCJQBJRSA-N 442.559 6.507 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)nc2ccccc12 12311304 JUCRPORITXBABG-UHFFFAOYSA-N 441.600 6.821 0 40 IKAB O=C(N/C(=C\c1ccc(-c2ccc(Cl)cc2)o1)C(=O)N1CCCCC1)c1ccccc1 12375875 QSMTUVHWFKWHKP-XLNRJJMWSA-N 434.923 5.383 0 40 IKAB CC(C)(C)c1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 12497571 GCLFPUSRVWPAKZ-UHFFFAOYSA-N 438.394 6.242 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 12850900 GUUVTSIIXBWRTG-HOCLYGCPSA-N 440.878 5.819 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)N(c4ccccc4C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12876881 PZGMZQFZHJRMHT-MNNSJKJDSA-N 449.554 5.868 0 40 IKAB biogenic CCc1ccc([C@H](NC(=O)Cc2csc(-c3ccccn3)n2)c2cccc(F)c2)cc1 13004797 JWVSXSSIARSGFK-DEOSSOPVSA-N 431.536 5.355 0 40 IKAB CCOc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c1 13025620 IVWFJTPXMZCISI-QFIPXVFZSA-N 438.549 5.187 0 40 IKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=S 13073101 NSMZSMNMIPJBLE-UHFFFAOYSA-N 440.494 5.577 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 13595762 UCCDIGWNGSSVDF-KNQAVFIVSA-N 445.332 5.417 0 40 IKAB CC(C)c1ccc(NC(=S)N(CCN2CCOCC2)Cc2cccc3ccccc23)cc1 13728110 OOIDIBLGEICQBM-UHFFFAOYSA-N 447.648 5.494 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1Br 13776745 FVAQXQHMGOSKMN-UTKZUKDTSA-N 441.350 5.762 0 40 IKAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 13785940 CYJSWKHRWUTEKX-OAQYLSRUSA-N 435.911 5.129 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccc2ccccc12 14272026 NHJHJZPVJBTEDF-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 14272154 UVXQFLGPHHFGJT-UHFFFAOYSA-N 443.286 5.828 0 40 IKAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4C)nc3cc2C)cc1 14272806 CDTLAXWPEFUKOY-UHFFFAOYSA-N 441.579 5.698 0 40 IKAB CCCCCCn1c(SCc2cc(=O)oc3cc(NC(C)=O)ccc23)nc2ccccc21 14357805 NTTKBFQMVUKVEO-UHFFFAOYSA-N 449.576 5.974 0 40 IKAB Cc1ccc(OCc2nc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)cc1 14361252 LUMOQJUTDZKRJJ-UHFFFAOYSA-N 439.437 5.581 0 40 IKAB C[C@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4C(F)(F)F)cc3c2C1 15526852 RQGXSOAOOLBVLN-AWEZNQCLSA-N 443.469 5.022 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(O)cc(CSc3ccc(Cl)cc3)n2)c1 15979712 SJQMGTWWNVPJQM-UHFFFAOYSA-N 445.997 5.476 0 40 IKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1 15987110 ZYZYKNZCQQJEIX-GOSISDBHSA-N 429.517 5.310 0 40 IKAB Cc1cccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)c1 16349923 OFXDYTPILLZPAC-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB COc1ccc(-c2nn(CC(=O)Nc3ccccc3)c(=S)n2-c2ccccc2C)cc1 16769281 JPCNYAVZIUQLPB-UHFFFAOYSA-N 430.533 5.026 0 40 IKAB CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)c(Cl)c1 17097801 SGUMXXFCGIJWAC-UHFFFAOYSA-N 432.298 6.583 0 40 IKAB O=C1CS[C@H](c2cccc(Br)c2)N1c1ccccc1Oc1ccccc1 17198342 KUBUOMIXZLUKKI-OAQYLSRUSA-N 426.335 6.020 0 40 IKAB COc1ccc2nc(N/C=C3/C(=O)N(c4ccccc4F)C(=O)c4ccccc43)sc2c1 18190795 RNINAPVAXWXGCF-GHRIWEEISA-N 445.475 5.084 0 40 IKAB Cc1ccsc1CN1CCC[C@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 19238617 HKPWKVCNGBNTTD-BKMJKUGQSA-N 433.621 5.154 0 40 IKAB O=C(c1ccccc1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19368658 NBBIRGRGCMHTOJ-HXUWFJFHSA-N 439.494 5.051 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(F)cc3)cc2Cl)cc1 20456191 HZUJXUSKKHLYKA-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20486645 XNLPXRHTTZQLBZ-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1 22076321 WJWZFYPGPCPZIL-UHFFFAOYSA-N 436.423 7.174 0 40 IKAB CC(C)c1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1 22274139 ZCQXOGCTWRUCRU-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCCCC2)cc1 22573878 ZXXWANVPALRJDN-UHFFFAOYSA-N 430.957 5.110 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Br)o3)nc12 22889616 XBQKBBIBRWHWJB-ZDUSSCGKSA-N 435.343 5.094 0 40 IKAB Cc1ccc(C)c(Sc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)c1 25747304 JFTDUQANGREYNG-UHFFFAOYSA-N 447.629 5.959 0 40 IKAB CC[C@@H](CO)NC[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 28296658 BXSIGACMNDJOKU-DQEYMECFSA-N 442.603 5.314 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)[C@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 32091466 NMPORSDIODYOGW-MRXNPFEDSA-N 434.805 5.394 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=N/[N+]2=C2/NC(=O)S/C2=C\c2ccccc2)cc1 32594730 WJXDYRWHIQNHOH-VNLJKWRZSA-O 440.548 5.453 0 40 IKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)c1ccc2ccccc2c1 32610635 UVHMGCKNDOXECZ-UHFFFAOYSA-N 439.437 5.961 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900625 XGIOPFGEDSKJLW-UHFFFAOYSA-N 425.492 5.385 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@H]1c1cccnc1 32925252 ICJUTDOYCGYHSY-DEOSSOPVSA-N 440.934 5.956 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](Cc3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 35132270 OXLKVVAPTOWHKX-BBVWWWHTSA-N 443.978 6.944 0 40 IKAB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccc(Cl)c(C(F)(F)F)c2)NC1=O 35644821 DTVDBDNGSWOEMJ-LICLKQGHSA-N 438.858 5.815 0 40 IKAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 38694275 GWEKWJKVOQYTGG-UHFFFAOYSA-N 426.538 5.211 0 40 IKAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 44851593 IPICGXUJJYDMEX-UHFFFAOYSA-N 429.004 5.090 0 40 IKAB CCOc1cccc(CNC(=O)c2cc(-c3sc(-c4cccc(C)c4)nc3C)n[nH]2)c1 49002333 YGPWVLCEOSGSFP-UHFFFAOYSA-N 432.549 5.146 0 40 IKAB CC[C@@H](Sc1nnc(-c2cc3ccccc3o2)n1C(C)C)C(=O)NC1CCCCC1 57291812 LKCKCKSDCYUTOG-HXUWFJFHSA-N 426.586 5.592 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1C 67289814 RPZLUCWFXCQXFE-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB COc1ccc(-c2csc(Nc3ccc(Br)cc3Br)n2)cc1 67321979 IYMPWRNHVQJGOW-UHFFFAOYSA-N 440.160 6.087 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)s2)o1)Nc1ccccc1C(F)(F)F 70635590 QJMNUNBEKFRHBL-UHFFFAOYSA-N 433.209 5.223 0 40 IKAB CC(=O)NCc1ccc(-c2csc(C3(NC(=O)c4ccccc4)CCCCC3)n2)s1 72284611 ZBTNNRICMGAGCI-UHFFFAOYSA-N 439.606 5.097 0 40 IKAB COC(=O)c1ccc(Cc2cn(C)c3ccc(NC(=O)OC4CCCC4)cc23)c(OC)c1 78693383 QVOFWGVAMUSZGP-UHFFFAOYSA-N 436.508 5.055 0 40 IKAB in-vitro CCC(P(C1CCCCC1)C1CCCCC1)P(C1CCCCC1)C1CCCCC1 79320319 DVXUJVALMRNPFK-UHFFFAOYSA-N 436.645 10.017 0 40 IKAB Clc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 101379456 UWCPGLDGFVSNBE-AZPGRJICSA-N 436.024 6.827 0 40 IKAB COc1ccc(COCc2cccc(NC(=O)NCc3cccc(N4CC=CC4)c3)c2)cc1 101431894 AITZARMQKOECGY-UHFFFAOYSA-N 443.547 5.110 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1)[C@H]1C[C@H]2CC[C@@H]1C2 102118997 OAYISQICTHPCKE-SEJQVYAISA-N 442.603 6.027 0 40 IKAB CCOC(=O)COc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1 106720492 GCGYYHHSKBFJNO-HMAPJEAMSA-N 447.512 5.018 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 223060766 UDGAHDPPSJFENL-VQTJNVASSA-N 445.003 5.139 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 223072638 DDOXMMLHANGXFB-VXKWHMMOSA-N 441.984 5.312 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 223992614 WNUWWKRRBABJBY-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224007094 CHBUXBUXKAUIPW-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224411500 LCBAZYMSNYIGGX-GOTSBHOMSA-N 433.483 5.797 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224471886 DKKGMCBGGDXKBP-DNQXCXABSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COCc1ccccc1 224747923 NWRVILINGZDLHG-UHFFFAOYSA-N 430.331 6.361 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)cc2Cl)c2ccccc2O1 224763263 HMXLFLDEECFWDE-LJQANCHMSA-N 438.420 6.425 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 225036051 FLDDJYDBVJHUNI-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225230582 HZAQWKZZJIUIKX-UXHICEINSA-N 440.603 5.388 0 40 IKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C 225341465 ODWYUTDEIUBPJD-DNQXCXABSA-N 434.609 5.484 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccccc2F)ccc1Br 225612143 LBRDCABWCQCVCQ-UHFFFAOYSA-N 427.408 5.507 0 40 IKAB Cc1ccc2c3c(oc2c1)[C@@H]1OCC2(CCN(C(=O)OC(C)(C)C)CC2)C[C@H]1C(C)(C)C3 257249388 JICCMCHXGOFVGV-NFBKMPQASA-N 439.596 6.418 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(OC)c2)cc(Cl)c1OCc1ccccc1 408574275 LKQCWLDWQAJIET-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB COc1cccc(Oc2ccc(C(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)cc2)c1 408617430 CGQXWFXOCKZIBC-UHFFFAOYSA-N 439.294 7.285 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 408646735 WEHZGDFRFQRPQN-QFIPXVFZSA-N 442.559 5.904 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1Cl 408729391 ZJBAHPKRBAEZTJ-LSSDNNNWSA-N 427.931 5.393 0 40 IKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)cc1Cl 408832865 RYDYXPSEJDERPI-UHFFFAOYSA-N 449.447 7.224 0 40 IKAB O=C(O)c1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1 408961639 UHPXHKNHNRPSNY-HMAPJEAMSA-N 445.496 5.200 0 40 IKAB Clc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409181906 GNIHTRLBLPOEIK-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cccc3CC)n2CC)cc1 409352652 YESMCZQLCXLVNU-UHFFFAOYSA-N 438.597 5.041 0 40 IKAB CCC(C)(C)c1ccc(OCc2nc(N3CCc4ccccc4C3)ncc2C(=O)O)cc1 585265853 SQLXSFHAQBFQEA-UHFFFAOYSA-N 431.536 5.004 0 40 IKAB O=C(C1CCCC1)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570363 BHKWNFDGUJRHOG-UHFFFAOYSA-N 438.656 5.303 0 40 IKAB O=C(CSc1nnc(-c2cccc(Br)c2)o1)c1cccc2ccccc12 705031 CJTZNHKIJYMXAU-UHFFFAOYSA-N 425.307 5.627 0 40 IKAB C[C@H](C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc(C(=O)c2ccccc2)c1 2061813 YVIZRUUADPZGDZ-FQEVSTJZSA-N 432.519 6.377 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc23)cc1 2291126 DQQBDPUATNJCGG-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2342229 RSUZLQJTVQLKRP-HNNXBMFYSA-N 447.431 6.981 0 40 IKAB C[C@@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2721760 SIJPSRGCRLNRPI-CQSZACIVSA-N 445.562 6.228 0 40 IKAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(Cl)cc2)c1Sc1ccc(Cl)cc1 3128535 KUSRACUCXADIEK-UHFFFAOYSA-N 446.281 6.149 0 40 IKAB Cc1cccc(N[C@H](NC(=O)c2ccc(Br)cc2)C(Cl)(Cl)Cl)c1 3147797 XZAXECKKIPVYKN-OAHLLOKOSA-N 436.564 5.296 0 40 IKAB CN(c1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)C1CCCCC1 3265569 XFFBNBQCJRJYCV-UHFFFAOYSA-N 430.957 5.597 0 40 IKAB Cc1nnc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1-c1ccccc1 3297415 JODJITZLVILGMO-QHCPKHFHSA-N 433.508 5.615 0 40 IKAB CCOc1cc(/C=C/C(=O)NC[C@@H](c2ccccc2)N(C)C)ccc1OCc1ccccc1 3298416 ITRXRVVYJWRDGF-LEJURUINSA-N 444.575 5.097 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655436 YJDJQFQPAFVXCL-UHFFFAOYSA-N 447.918 6.748 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=CC1 3846374 GSMGNZCKZIUPCV-XEWWANBBSA-N 444.656 6.641 0 40 IKAB biogenic O=C(Nc1ccc(N2CCN(C(=O)c3ccccc3)CC2)cc1)c1ccc2ccccc2c1 4089833 WUTFMRPKDRHFJW-UHFFFAOYSA-N 435.527 5.055 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3ccccc23)c1 4090596 ZQXMPDSNAUMFSW-UHFFFAOYSA-N 439.540 5.527 0 40 IKAB O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)C=C[C@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 4428298 YXHQCPFGXOFHLR-CSBHBGLHSA-N 442.558 7.122 0 40 IKAB Cc1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)nn1Cc1ccc(Cl)cc1 4881332 WPVLCZMONZCISA-MRXNPFEDSA-N 426.948 5.285 0 40 IKAB N[C@H](CCCCCCCCCCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 5759564 YITBJFFBJDRKLW-CLJLJLNGSA-N 436.640 6.088 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccccc1F 8753228 DYWSNECLBJWXTD-QGZVFWFLSA-N 449.913 5.428 0 40 IKAB Cc1ccccc1Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2sc3ccccc3c21 8756856 UOFVVVILWAKODU-UHFFFAOYSA-N 432.932 5.377 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8758277 PZTFLEYFNXELGS-LJQANCHMSA-N 429.495 5.083 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 8817706 XKOKCFHMUZBEQI-NRFANRHFSA-N 430.379 5.739 0 40 IKAB COc1cccc(-c2nc(CSc3nn(-c4ccc(F)cc4)c(=S)s3)cs2)c1 8825005 SIZHTDNHCHIRDL-UHFFFAOYSA-N 447.607 6.227 0 40 IKAB CCCOc1ccc(-c2nonc2NC(=O)c2ccccc2OCCC)cc1OCCC 8867887 WXNMKOQXGNHMCZ-UHFFFAOYSA-N 439.512 5.355 0 40 IKAB Clc1ccc(COc2ccccc2-c2ccn(Cc3ccc(Cl)c(Cl)c3)n2)cc1 8888409 UAGVVYADQPGKSY-UHFFFAOYSA-N 443.761 7.138 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc4ccccc4c3)c3ccccc32)c1 8927829 YODDNQLQJFUSMZ-GDLZYMKVSA-N 435.523 5.464 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1Cl 9293258 IZYMSRNDGIYNOA-FCHUYYIVSA-N 448.313 5.193 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(Cl)c2)cc1 9345051 DDHFJQSTOOZLGM-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCCC[C@H]3c3nc4ccccc4s3)cs2)cc1 9730301 MYQPHYCOYZXZAV-IBGZPJMESA-N 435.574 5.796 0 40 IKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1oc2ccccc2c1COc1ccccc1 9831952 NARSSZHXVDJXKR-UHFFFAOYSA-N 426.472 5.391 0 40 IKAB CCOCc1c(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)oc2ccccc12 9872677 PTDUNFGGMGVNAK-UHFFFAOYSA-N 430.508 5.207 0 40 IKAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 9937461 YUBWMWGQGVXNLH-UHFFFAOYSA-N 441.535 5.073 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4ccc(C)c(C)c4)o3)cs2)cc1OC 10842177 FDAWBZWUPGTKNV-UHFFFAOYSA-N 439.562 5.786 0 40 IKAB COc1ccccc1OCCSc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1 12062297 DZLSQABXKRNAFL-UHFFFAOYSA-N 447.560 5.163 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)c(F)c3)oc12 12437481 PIFBFJFMHJQSDE-RWEWTDSWSA-N 441.455 5.093 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12511382 QYBILFITAVCJBP-MRXNPFEDSA-N 448.592 5.493 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)OCc1nc2ccccc2n1C(F)F 12559836 FFKMBGGAWGFEDO-UHFFFAOYSA-N 446.504 5.337 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 12579822 UKWUMKGJWJLWEW-UHFFFAOYSA-N 427.573 6.598 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2ccccc2C(F)(F)F)c1 12631415 NKWOYXMTSQDRKF-UHFFFAOYSA-N 435.427 5.150 0 40 IKAB Cc1ccc(Sc2cc(CSCc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 12955133 YTEDPHWOLXIVIU-UHFFFAOYSA-N 449.044 7.690 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(F)cc3Cl)C2)c2ccccc12 12997199 PMOKYLKVUGRNAP-HNNXBMFYSA-N 440.902 5.132 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](Sc1nnc2n1CCCCC2)c1ccccc1 13110050 WVYFYHZDEWXHSM-IBGZPJMESA-N 446.498 5.495 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C)c3C)[C@H]2c2ccccc2)cc1 13119630 XDMYQTSHJPGNAV-ZEQKJWHPSA-N 428.532 5.435 0 40 IKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 13563495 YMAUOWKZFNZVSE-XBZNOJLSSA-N 433.573 5.503 0 40 IKAB CC(C)(C)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 13844911 OGHCBNCKGYTQKR-DEOSSOPVSA-N 449.381 7.485 0 40 IKAB c1ccc(Cn2c(COc3ccccc3)nnc2SCc2ccc3ccccc3n2)cc1 15108888 IGGFBONHNKLARI-UHFFFAOYSA-N 438.556 5.746 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(SCc2ccccc2)s1 15322253 JPDWKBKCBXTIKH-UHFFFAOYSA-N 431.586 5.991 0 40 IKAB CCc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2C2CCCCC2)cc1 15910629 KBRHKBOCFXGJJB-PNHLSOANSA-N 444.616 7.831 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(C)c4)cc3)S2)cc1 16161909 AEOXCYDJGFQICL-SJJVXOANSA-N 430.573 5.736 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1OC 16323129 AXADRFYGKBAAPM-UHFFFAOYSA-N 430.504 6.062 0 40 IKAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@H](c3ccccc3)C[C@@H]12 16957233 XIEPITOOPZYXGG-LAUBAEHRSA-N 438.365 5.066 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 17970764 UNPWUJZCWFCHDA-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 19081971 QSUNDQZKZQFYRI-BKMJKUGQSA-N 449.639 5.519 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(F)cc3F)CC2)n1 19084735 SFSQTSRIWYOJII-UHFFFAOYSA-N 436.506 5.134 0 40 IKAB CCc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c(C(=O)OC)c1-c1ccccc1 19634340 ZVWKPWOUKWZEGX-IRXDYDNUSA-N 441.549 5.150 0 40 IKAB CCc1cc([C@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 19880698 MJAQOJALZGXRLN-QHCPKHFHSA-N 437.584 5.039 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cccc(Br)c4)cc3n2)cc1 20610473 KVQXHASBFCDLQB-UHFFFAOYSA-N 435.325 5.559 0 40 IKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)n1 20716667 AIGIPBLDQWCWKQ-OAQYLSRUSA-N 431.561 5.143 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNC[C@H](O)c2ccccc2)cc1 20874633 TUCXPKRUVVVVED-QFIPXVFZSA-N 426.354 5.160 0 40 IKAB O=C(COc1ccccc1-c1nc(-c2ccccc2)no1)Nc1cccc(C(F)(F)F)c1 20897584 UXRVIERCSZFPIH-UHFFFAOYSA-N 439.393 5.440 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1sc2nc3n(c(=O)c2c1C)CCCCC3 21345769 YUCYZQSFMOVWQK-UHFFFAOYSA-N 444.000 5.523 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 21595819 DDJAGGCJBDWPHL-UHFFFAOYSA-N 429.004 6.424 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)N3CCC[C@@H]3c3cccs3)s2)c1C 21844613 OVFMAEMXELFLKB-MRXNPFEDSA-N 430.624 5.416 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C(C)(C)C)n2)cc1 22255774 DUSFVEOVGIYXCQ-QFIPXVFZSA-N 446.595 5.397 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(OC)cc3)c2c1 22574230 BTOGPZVKMBTXOD-UHFFFAOYSA-N 448.544 5.087 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 29978946 VVPGVGWRZUWECS-UHFFFAOYSA-N 430.533 5.656 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4C)ccc3o2)cc1C 32116604 QCKIERQOLIJEHV-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB CCOC(=O)c1c(SC(C)C)n(-c2ccccc2)c(=S)n(-c2ccccc2)c1=O 36646026 SVGUBODIDMPKOR-UHFFFAOYSA-N 426.563 5.035 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38837553 NKRRUGZOWKZYTQ-LJQANCHMSA-N 437.436 5.255 0 40 IKAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccccc2Cl)CC1 40139324 IEXZYJMPPPXKKR-NQIIRXRSSA-N 442.987 5.116 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1Cc1cccc(C)c1 41076824 DTWDCYYHDRMIOE-UHFFFAOYSA-N 431.561 5.441 0 40 IKAB CC(C)(C)c1ccc(Br)c(S(=O)(=O)Nc2ccc(Br)cc2)c1 41105658 OYFXJMVNDCFXLC-UHFFFAOYSA-N 447.192 5.310 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCc2ccccc2)cc1 44086656 ONYFXCUVTAAMMY-UHFFFAOYSA-N 435.390 6.903 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c1 44916038 UCIRIDQWKSQHAG-QFIPXVFZSA-N 429.004 5.088 0 40 IKAB CSc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 64950055 FTLWBPGBWKVFRK-UHFFFAOYSA-N 440.528 5.441 0 40 IKAB Brc1ccc(-n2c(SCc3ccccc3)nnc2N2CCCCC2)cc1 72329962 JLPZQTMNVZYBBX-UHFFFAOYSA-N 429.387 5.312 0 40 IKAB COc1cccc2[nH]cc([C@H](CC(=O)NCc3ccco3)c3cccc(OC(F)F)c3)c12 95474350 YALMIEOXBAMSPJ-GOSISDBHSA-N 440.446 5.209 0 40 IKAB O=C(COc1ccc(F)c(Cl)c1)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 100156330 QJOOJWXBLBVNFI-OKILXGFUSA-N 449.935 5.060 0 40 IKAB C[C@@H](N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 105896299 KPLQAZCROOQSMF-RUAUKMDKSA-N 436.433 5.584 0 40 IKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(Cl)cc1Cl 214410225 YDUDDNVPNZMTRP-VIZOYTHASA-N 443.149 5.992 0 40 IKAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N[C@H](C)c3ccccc3)CC2)cc1 219855541 BIIMLHPPPIYWAX-OAQYLSRUSA-N 441.575 5.341 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C 219963036 OZRDIUJSOBGOAH-XMMPIXPASA-N 440.631 6.249 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222612950 WGXIZOBTBKPKLD-NVQXNPDNSA-N 436.640 5.507 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223115111 YUQNMVXFMJJFLK-DHIUTWEWSA-N 447.560 5.345 0 40 IKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(Br)c(Cl)c3)ccc2O1 223663487 UFYKKSYHKMOZNO-UHFFFAOYSA-N 430.751 5.007 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224047482 FKRSPSBPWOKTPH-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)c1 224228672 AVOZKMJPEXQYRM-DQEYMECFSA-N 442.588 5.627 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 224358478 FHVYIOIYHVXKAB-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB COC(=O)c1cc2cc(NC(=O)c3ccc(OC)c(COCC(C)C)c3)ccc2s1 224456197 BITDTAJFROLSKT-UHFFFAOYSA-N 427.522 5.121 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224540915 JIZLBRROJPLLDY-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C(C)C)c2)cc1 224567093 QDFUHPFWCAOGEC-UHFFFAOYSA-N 433.548 6.439 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224738299 WRDYKEGJEBSFNN-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926241 LDRKYSVVXLZKOG-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB Cn1c(/C=C2/SCCN2C(=O)C(c2ccccc2)c2ccccc2)nc2ccccc21 225235929 XDUHAZFFDYBVMP-HKOYGPOVSA-N 425.557 5.279 0 40 IKAB O=C(c1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1)N1CCCCC1 225297538 NTECPUKRXWRFKX-UHFFFAOYSA-N 448.057 5.186 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 225348882 FJVAKAQCHYRRPQ-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1C 225366003 BIGVIGLVESRNFJ-DNQXCXABSA-N 432.593 5.227 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225516182 LDCJQPLEQCDHJU-QPPBQGQZSA-N 438.612 5.021 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(OC)cc1 225798267 WBKGFAAPNPVBGF-LEYFIJQKSA-N 434.561 5.104 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCc2nc(-c3ccccc3Cl)no2)ccc1Cl 225819019 WXZSZZHKWSADPS-UHFFFAOYSA-N 447.269 5.549 0 40 IKAB C[C@H]1CCC[C@@H](OC(=O)c2cc(Cl)c(Cl)c(-c3cc4ccccc4oc3=O)c2)C1 226357730 XIWOIPGKTNLKLD-XJKSGUPXSA-N 431.315 6.502 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 257240861 HVMJBNQQGAAOHL-QHCPKHFHSA-N 436.555 5.084 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 257292248 QKQNQTGSYLJYMX-XJABCFGWSA-N 432.568 5.251 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc2c(N3CCCC3)nc(SC)nc2s1 408624175 UVDYUGQGCNBMIA-UHFFFAOYSA-N 426.611 5.391 0 40 IKAB CCOc1ccccc1N(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1 408628550 YSNPXBNJPIKFCQ-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1Cl 408645401 KKTBCDNQJRXNAR-UHFFFAOYSA-N 437.504 5.205 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1 408696994 DJJQPQOCRTVOLR-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3C)n2)c1 408697019 DPZVPWKWHNDGDM-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1cccc(Cl)c1 409118389 PVPHUZSWHAMZHO-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB Cc1cc(I)cc(C)c1NC(=O)CSc1ccc2ccccc2c1 409181821 FSXJMZWLBNWERA-UHFFFAOYSA-N 447.341 5.792 0 40 IKAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)cc3)c(C)s2)cc1 409202941 VLIGOTQXGWYODB-UHFFFAOYSA-N 428.941 5.772 0 40 IKAB CCc1ccc(NC(=O)COc2ccc(C(=S)N3CCC(C)CC3)cc2Cl)cc1 409238677 KTFNAAZNJLMIGO-UHFFFAOYSA-N 431.001 5.327 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409262801 HLKMTUWNJWISKC-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1cc2cc(Cl)ccc2o1 409328936 ASWUAKHJVPZEFB-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB C[C@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(-c2ccccc2)cc1 648050884 AFAJRALMJLLVGS-INIZCTEOSA-N 443.572 5.363 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2ccccc2c1 1615055188 IJXMNPNUJSQEJP-UZUQRXQVSA-N 442.481 5.109 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1333715 GUGYJMDFXGYDGA-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@](C)(CC)OC3 1820671 USPKZEWIVHWMFQ-QFIPXVFZSA-N 430.595 5.199 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)ccc4ccccc34)cc2oc1=O 2092489 VOFKCJNFWMGGAI-UHFFFAOYSA-N 430.500 5.638 0 40 IKAB biogenic O=C(NC(Cl)=C(Cl)Cl)Nc1ccccc1Oc1ccc(Cl)cc1Cl 2157732 UYDAMAVVCCBSFG-UHFFFAOYSA-N 426.514 6.750 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)c1cccc(C)c1 2276913 SPBRVFLGGLZJEE-UHFFFAOYSA-N 441.552 6.820 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C)cc2)cc1 2367406 QMZHDPXNJNNBLS-XMMPIXPASA-N 443.474 5.037 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1ccccc1OCC 2779899 NVSUTKNGHMUNQH-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)NCCc1ccccc1 3164560 BIHAPUMWPVXHHS-XPKROWLPSA-N 442.326 7.572 0 40 IKAB O=C(OCc1cc(Cl)ccc1OC(F)F)c1cc(-c2ccco2)nc2ccccc12 3235423 UBXVFNILAPDSTJ-UHFFFAOYSA-N 429.806 6.107 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3239124 RIVYYNKOUKFEFY-SECBINFHSA-N 437.106 5.249 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCCc2ccccc21 3258465 WRXQNPVPTLLKSW-UHFFFAOYSA-N 441.965 5.676 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1cccc(Oc2ccccc2)c1 3346741 PLCUCGOFAJCKGD-UHFFFAOYSA-N 442.500 5.741 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)c1 4089851 ZAFOIHOOQDAQKO-UHFFFAOYSA-N 446.532 5.196 0 40 IKAB CCCCN(CCCC)CCCOc1ccc(C(=O)c2c(CC)cc3ccccn23)cc1 4215163 NRTGWAAGLRTUJZ-UHFFFAOYSA-N 434.624 6.404 0 40 IKAB in-man Cc1cc(OCc2c(C)c(C)cc(C)c2C)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 5543706 XZHWQVIVIBXVIZ-UHFFFAOYSA-N 426.556 6.813 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 6177659 IMSBFEXSCLLRBK-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl 8384435 ZQRPRWRPDNMZEJ-UHFFFAOYSA-N 439.191 5.729 0 40 IKAB Cc1ccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2ccc(Cl)c(Cl)c2)cc1 8445442 XWIGLXOJJOEIEI-UHFFFAOYSA-N 447.329 5.797 0 40 IKAB CC(=O)Oc1cc(C)cc2c1[C@]1(C)CC[C@H]3[C@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1C2 8615869 NJDMULFSFVYYPR-RXEKADTJSA-N 438.608 5.908 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1 8828183 UIPSSZYRCFHWQF-JOCHJYFZSA-N 447.538 5.767 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 8868776 MEYHYIWOLOSZIJ-HSZRJFAPSA-N 429.472 5.310 0 40 IKAB CCCCN1C(=O)c2cccc3c(NC(=O)c4ccc(Br)s4)ccc1c23 8879768 JPBDZSIDWONXMM-UHFFFAOYSA-N 429.339 5.676 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCc4cc(C)on4)nnc23)cc1 9127233 FXKZVXXSDPTZCC-OAHLLOKOSA-N 445.548 5.136 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc4c(Cl)cc(Cl)cn34)c2cc1C(C)C 9128216 ZBSKXKRTZPSLEX-UHFFFAOYSA-N 434.348 5.867 0 40 IKAB COc1cc(-c2c/c(=N\c3ccc(NC(C)=O)cc3)c3ccccc3o2)cc(OC)c1OC 9130535 OFWHKUVHAJTSSN-SGWCAAJKSA-N 444.487 5.316 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(Nc3ccccc3)s2)cs1 9139676 YNGZOLIOSSZVTM-UHFFFAOYSA-N 439.591 5.715 0 40 IKAB CCCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9185642 XHLFUTSCBSMCRZ-UHFFFAOYSA-N 446.620 6.750 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 9235860 CHMDSDUZECVTKS-BUVRLJJBSA-N 445.540 5.819 0 40 IKAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1OCC 9391592 QIVRIDLINQXDHK-UHFFFAOYSA-N 443.956 5.322 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3)=NN12 9397108 XXMRRDBZMDAOOR-OAQYLSRUSA-N 440.385 5.193 0 40 IKAB CCOc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 9561433 OXWSHWQMKWQHSC-NRFANRHFSA-N 441.865 6.268 0 40 IKAB Cc1ccc(OCc2n[nH]c(S[C@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 9562105 FBLFLKQWEGNDFY-GFCCVEGCSA-N 437.352 5.118 0 40 IKAB COc1cccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2cccc(C)c2)c1 9635800 RMEMXSOLBAKKEW-UHFFFAOYSA-N 443.572 5.896 0 40 IKAB CC(=O)c1ccc(Nc2nc(-c3sc(NC(=O)c4ccccc4)nc3C)cs2)cc1 9908173 WHBJFAPRCKWYMW-UHFFFAOYSA-N 434.546 5.774 0 40 IKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc23)cc1 10245440 XIMZSRXMJXUTLN-UHFFFAOYSA-N 434.495 6.653 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)o2)cc1C 11217047 WROGBYUSTUBMKV-UHFFFAOYSA-N 429.476 5.375 0 40 IKAB COC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(SC(C)C)cc1 12070899 KGVYXXMITXWBPN-UHFFFAOYSA-N 425.575 5.883 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 12372643 JQKVRXWBUQDULV-UHFFFAOYSA-N 449.923 5.018 0 40 IKAB biogenic,in-vitro O=C(O)c1cc(Cl)cc2c1N[C@H](c1cccc(OC(F)(F)F)c1)[C@@H]1[C@@H]2[C@H]2CC[C@@H]1C2 12428835 MDYBVKDISQFLKR-AUZRPIGCSA-N 437.845 6.233 0 40 IKAB Cn1ccnc1SCc1ccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)o1 12525679 FOBPNPFYOQOLSF-UHFFFAOYSA-N 431.561 5.041 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)/N=c1/sc2ccccc2n1C 12548823 WUDHRBNSKQVJAA-DARPEHSRSA-N 445.375 5.149 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3c(-c4ccccc4Cl)noc3C)s2)cs1 12788425 BESHYZIZASJTPT-UHFFFAOYSA-N 443.981 5.769 0 40 IKAB C[C@H](SCc1nc(-c2cccs2)no1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12868458 RVIMWJPMZXVZNT-JTQLQIEISA-N 442.547 5.351 0 40 IKAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c1 13041278 SWSLDAHDGWNMMT-LJQANCHMSA-N 439.581 5.042 0 40 IKAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 13075256 GLNQQINQDUPNQV-UHFFFAOYSA-N 433.458 5.413 0 40 IKAB COc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13498401 BQAJTBBGABHSAC-RUZDIDTESA-N 448.588 5.133 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1C 13498418 YHSIMLHHQXLTKP-SANMLTNESA-N 446.616 5.741 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 13897426 RECOYUYTJYWFOG-UHFFFAOYSA-N 431.344 5.977 0 40 IKAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Br)s1 14223148 ZRFQXTPVIYAVDX-UHFFFAOYSA-N 426.382 5.463 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 15946363 YOQMTSMSLAIEBI-HSZRJFAPSA-N 433.577 5.523 0 40 IKAB COc1cccc(CNC[C@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 16228238 DDSJKSACDUPIRZ-NRFANRHFSA-N 432.347 5.404 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1C 16312618 ABKGCFPEAHYGKX-UHFFFAOYSA-N 436.515 5.516 0 40 IKAB C[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 16608433 YXOHRYLHCVUPMD-MCEIDBOGSA-N 442.648 6.359 0 40 IKAB CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 16688696 CBSBJVQYQYCGCF-UHFFFAOYSA-N 430.375 6.303 0 40 IKAB COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccccc23)cc1 16957199 IAPMIUOXAHYDCU-BYCLXTJYSA-N 431.605 6.183 0 40 IKAB COc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1Cl 17095207 HIOHDRITBMKIFR-UHFFFAOYSA-N 426.925 5.054 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 17095292 VRWQBKQODNPKFC-UHFFFAOYSA-N 427.298 5.556 0 40 IKAB Cc1ccc(C(=O)N2CC[C@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)s1 19216853 MVAXSIXSAJBSKJ-IBGZPJMESA-N 441.560 5.282 0 40 IKAB CCN(CC)Cc1ccc(NC(=O)c2cc(I)ccc2Cl)cc1 19637111 ZWOXHKJUQUSCQW-UHFFFAOYSA-N 442.728 5.039 0 40 IKAB CN1CCN([C@H](c2ccc(Cl)cc2)c2c(-c3ccccc3)n(O)c3ccccc23)CC1 20192835 HFAIOBHVXRQEGX-RUZDIDTESA-N 431.967 5.536 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20468058 UWDYDQIXFDDYME-QFIPXVFZSA-N 445.950 6.207 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 20610402 HNWXRMSIZGIXOK-UHFFFAOYSA-N 432.842 5.725 0 40 IKAB COc1ccc([C@H]2CCCN2[C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 20728788 LQKDNTCCNBXOHV-ISKFKSNPSA-N 434.923 5.946 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 20766369 PVTVFVVLZRWTMF-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N1CCC[C@@H]1c1cccs1 21846153 CLXLEOPOYQGKOW-LJQANCHMSA-N 439.606 5.029 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccc(Cl)c(Cl)c1 22022898 MIXJDAJFQLKLMV-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB O=C(NCCCn1nc(C(F)(F)F)cc1C1CC1)c1sc2ccccc2c1Cl 28230389 NUKQPQWJVISSIK-UHFFFAOYSA-N 427.879 5.468 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)o2)cc1 32741638 OFZISRUMFTVDHP-CHWSQXEVSA-N 437.594 5.610 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 33729759 AYCCDQZNIGOIPC-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1OC 35086707 YOCDYKDFQQBQJN-GGNJANJASA-N 446.862 5.172 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35646011 DCYFIYKQEWYGRX-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 38852008 AMISUYBXJCXOFF-UHFFFAOYSA-N 434.392 5.210 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 45943359 SXRYJCCFDDEQJF-UHFFFAOYSA-N 431.355 5.958 0 40 IKAB Clc1ccc(CNc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(Cl)c1 57527373 FGWFMYJEUCEYIC-UHFFFAOYSA-N 426.391 5.928 0 40 IKAB Nc1c(Br)cc2nc(-c3ccc(-c4ccccc4)cc3)oc2c1Br 70461303 VPFSVDGJZFLUDA-UHFFFAOYSA-N 444.126 6.269 0 40 IKAB Cc1cc(NC(=O)c2ccccc2SCC(=O)N(C)C2CCCCC2)nc(C(C)C)n1 78404498 CDDGRYDLQSUKGY-UHFFFAOYSA-N 440.613 5.044 0 40 IKAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N(Cc1cccs1)Cc1cccs1 95396859 IOSBCYWILPYXRY-UHFFFAOYSA-N 425.579 5.701 0 40 IKAB O=C(NCc1cccc(F)c1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344377 ZUOUQJIFRFRDAM-DEOSSOPVSA-N 446.522 5.178 0 40 IKAB COc1ccc(N2C(=O)/C(=C\Nc3cc(Cl)cc(Cl)c3)c3ccccc3C2=O)cc1 102989280 NQJPCCAEFBFOGT-BKUYFWCQSA-N 439.298 5.642 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 106704555 MXJUNWXUYWDFFU-WQRHYEAKSA-N 432.339 5.393 0 40 IKAB CCCOc1ccccc1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 219846375 PDRHJHPCNBGVSF-UHFFFAOYSA-N 437.967 6.070 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222988738 XZZDYVXXHBTAKU-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 223389192 YDZHGUPCQKDXSU-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223476769 KPWOIXFJDQOBFO-DEOSSOPVSA-N 438.930 5.275 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 223611331 KNMVLFBPDCQPQX-DEOSSOPVSA-N 440.653 5.509 0 40 IKAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224049438 VWZMABUZLYWUAF-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(OCc2ccccc2Cl)cc1 224276158 BIUFRSKBFKOXRN-UHFFFAOYSA-N 427.887 7.071 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1CSc1ccc(C)cc1 224659940 JQZBUUSVQCPYSJ-UHFFFAOYSA-N 425.981 6.269 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224783056 MAVDJFNAOJYXFD-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CN2CCc3ccccc3C2)cc1 224969761 OWXIMJRGGUFKNQ-UHFFFAOYSA-N 426.545 5.016 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 225185591 OKJDNQUXBUPTMR-NKFKGCMQSA-N 448.588 5.012 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225346426 DMVOPCGMBZCNMJ-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCN3CCCCC3)c2)cc1 225410825 FKVGARYLKVWPJQ-UHFFFAOYSA-N 437.653 5.378 0 40 IKAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)NC1CCCCCC1 226010051 PFSOFXJCGVEGDZ-UHFFFAOYSA-N 425.602 5.268 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2cccc(Cl)c2oc1=O 226040719 KAVKOQREPRTRNW-UHFFFAOYSA-N 426.255 6.144 0 40 IKAB Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c1 226766151 AFRUCWZWKVVFAO-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(Cl)cc2)cc1 408700099 YUOQAZSQZUOYEM-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1CCc1ccccc1 409139780 BZAVFOOAFADLLC-ZDLGFXPLSA-N 427.323 5.209 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1Cl 409176833 YXYIDROONXYROL-RIYZIHGNSA-N 426.925 5.101 0 40 IKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1Cl 409194728 LSKFWOSZRFVQTP-XDJHFCHBSA-N 435.907 5.689 0 40 IKAB O=C(COc1c(Cl)cc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccccc1 409248971 HYKIOVFLJQAVSE-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O 409357938 KXRNLUFWARFTMT-RGVLZGJSSA-N 436.920 5.477 0 40 IKAB C/C(Oc1ccc(Oc2nc3cc(Cl)ccc3o2)cc1)=C(/[O])N(C)c1ccccc1F 1560407495 KINIMEBPXFCFSE-UHFFFAOYSA-N 439.850 6.547 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC3CCCCC3)cc2c1 879325 IFRQNKLAXAQIIA-UHFFFAOYSA-N 449.620 5.136 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1333675 FQFXGOIBBNINQP-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB aggregator COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2cccs2)cc1 1364901 JGSXSEIQWOPEQZ-UHFFFAOYSA-N 436.964 6.109 0 40 IKAB CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(C)=O)c(C)s1 1365602 FWQCEQNAQGXSKW-AWEZNQCLSA-N 435.549 5.067 0 40 IKAB CCCCC(=O)Oc1ccc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2c1 1769117 LIIUZNQKFKPXGM-UHFFFAOYSA-N 434.410 6.317 0 40 IKAB COc1ccc(Oc2coc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2=O)cc1 1772082 UYEZXMZJYWPQTH-UHFFFAOYSA-N 444.483 6.111 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1773503 CBTNVKPTBXKJRU-UHFFFAOYSA-N 443.609 5.899 0 40 IKAB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)cc1Cl 2060910 IXTQFWLGRLOABG-AREMUKBSSA-N 438.398 7.437 0 40 IKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1cccc(OCc2ccc(F)cc2)c1 2085467 YUNVEBPPMKSNJT-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB Cc1ccccc1-n1c(SCc2ccccc2)nc2nc3c(cc2c1=O)COC(C)(C)C3 2303251 BDRGWNAGEDFCAM-UHFFFAOYSA-N 443.572 5.233 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2C)c1 2352621 XAHROXRWMAOLJP-UHFFFAOYSA-N 444.560 5.100 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCCC(C)C)n(Cc4ccccc4)c(=O)c23)CO1 2372450 KYHGPBBUFUSHTR-DEOSSOPVSA-N 442.650 5.886 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 2414413 XDTGQDSTNXNMGA-DEOSSOPVSA-N 446.591 5.368 0 40 IKAB Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1Cc1ccco1 2447104 JXIWNJXYZGTRPB-UHFFFAOYSA-N 434.323 6.325 0 40 IKAB CCc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 2593005 WMXSGMRVILZEAM-XBXARRHUSA-N 446.115 5.812 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2ccc(Br)cc2)o1 2765703 HQETZEYSYJZGMS-GZTJUZNOSA-N 428.669 5.707 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 3011659 SVOLYYCMEMBNTQ-ICSRJNTNSA-N 444.457 5.421 0 40 IKAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)NC(c1ccccc1)c1ccccc1 3289694 ZZVUMPSNSOBAME-CCEZHUSRSA-N 439.433 5.168 0 40 IKAB CCn1c(SCC(=O)N(C)C2CCCCC2)nnc1-c1ccc(Cl)cc1Cl 3427872 PBRJXVBOUZDFRS-UHFFFAOYSA-N 427.401 5.155 0 40 IKAB Cc1ccccc1OCCSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 3441219 XYPBOFAUMFMIMP-UHFFFAOYSA-N 445.544 5.202 0 40 IKAB Cc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc3c2=O)c(C)c1 3531675 ZQHWFOXXNCFKQZ-UHFFFAOYSA-N 440.528 5.345 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(Br)cc4)o3)c(=O)oc2c1 4497819 WVCCHHPCMGHJCI-UHFFFAOYSA-N 440.297 5.119 0 40 IKAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCCC2)cc1 5736970 VOUYQVCTURYMDU-OAQYLSRUSA-N 429.586 5.438 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3Cl)c2C(F)(F)F)cc1 8445470 FZFXFMMFRPZFCF-UHFFFAOYSA-N 439.228 5.149 0 40 IKAB COc1ccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3s2)cc1 8862493 WTVFZSAVPJYAFT-UHFFFAOYSA-N 449.557 5.288 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c(OC)c1 8872050 BWJCAPHODJLUBG-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8915478 FAAHPDLXUPUZQU-OAHLLOKOSA-N 433.162 6.122 0 40 IKAB COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)c2ccco2)cc1 9060349 BXURTHIUKVNBPZ-UHFFFAOYSA-N 440.503 5.550 0 40 IKAB O=C(CSc1cn(CC(=O)N2CCCCC2)c2ccccc12)Nc1ccc(Cl)cc1 9118323 IZBBLULTPMAAOV-UHFFFAOYSA-N 441.984 5.038 0 40 IKAB COc1ccc(C2=NN(C(=O)CNc3cccc4ccccc34)[C@@H](c3ccco3)C2)cc1 9130820 YUJFUJHGILTIKF-XMMPIXPASA-N 425.488 5.231 0 40 IKAB Clc1ccccc1N1CCN(c2nc(-c3ccccc3)nc3c2oc2ccccc23)CC1 9158628 ZHBGQUVTXDPTFU-UHFFFAOYSA-N 440.934 6.023 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(C)o3)sc2c1 9187327 VVLMOSFIPOMSDD-HXUWFJFHSA-N 428.469 5.362 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1nncs1)C3=O 9215822 RAACMUREZLCYPU-IBGZPJMESA-N 431.517 5.000 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)Cn1c(COc2ccccc2)nc2ccccc21 9245125 QXIZAOLCSPWZAU-UHFFFAOYSA-N 435.911 5.224 0 40 IKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2ccccc2c1 9413673 HJZVPXWQAGIKFG-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB Cc1cc(OCC(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)ccc1Cl 9430726 AFXUTBIYUYHGBS-UHFFFAOYSA-N 444.867 5.607 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(C)cc(-c3ccccc3)n2)cs1 9780359 JLVCMYAATKOGOY-UHFFFAOYSA-N 432.574 5.885 0 40 IKAB CCOc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)sc2c1 9829677 WUQOXZUTRGGMCG-UHFFFAOYSA-N 429.954 5.652 0 40 IKAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1ccc(-c2nc3ccccc3s2)o1 9870573 ODRGDOWRBRXPEG-NTEUORMPSA-N 443.528 5.013 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 9892100 LWCSERRYCFJNOD-UHFFFAOYSA-N 449.293 7.314 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2C)c(C)n1CCc1cccs1 9948907 KUMMWHAJLBIAFM-UHFFFAOYSA-N 436.606 5.180 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1cccc2c(Cl)cccc12 10128857 MCMYVQLSZJOHDC-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2ccc(F)cc2s1 10187639 ZLYQPGBWYXKJGM-UHFFFAOYSA-N 448.342 5.501 0 40 IKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccccc3)nc12 10187738 KKXHIUPHEYMUKX-UHFFFAOYSA-N 435.574 5.416 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccc(Br)cc1)c1ccco1 10232997 JBWKNJYMDQRIIB-UHFFFAOYSA-N 426.291 5.536 0 40 IKAB COC(=O)[C@@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 11866676 LXXVXZGBKFHYKV-VWLOTQADSA-N 428.484 5.294 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3c(C)cccc3C)c3ccccc3C2=O)cc1 12311974 JXYWWEDPUAHCHM-XQNSMLJCSA-N 440.499 5.120 0 40 IKAB Cc1sc(NC(=O)CS(=O)(=O)c2ccccc2)c(-c2nc3ccccc3s2)c1C 12361212 YLRBZRLMGCPKAL-UHFFFAOYSA-N 442.587 5.054 0 40 IKAB COc1ccccc1NC(=O)c1ccc(Nc2nc(C(F)(F)F)nc3ccccc23)cc1 12534348 RCCYJBFJRXICRQ-UHFFFAOYSA-N 438.409 5.653 0 40 IKAB O=C(c1cc(-c2cccs2)nn1-c1ccccc1)N(Cc1cccnc1)Cc1ccco1 12556417 QZELIRAKSMSAAP-UHFFFAOYSA-N 440.528 5.431 0 40 IKAB COc1ccc(C)cc1N(C(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 12781811 YYKBAFJXOCRKRM-UHFFFAOYSA-N 446.528 5.640 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 12971806 XMPUPVLLWFLELL-UHFFFAOYSA-N 437.710 5.618 0 40 IKAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1SCc1ccsc1 13007770 OCGSOPPBKZSJQW-KPKJPENVSA-N 434.586 5.585 0 40 IKAB CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13026994 BJPAYZRKTVBJBB-XMMPIXPASA-N 432.520 5.125 0 40 IKAB O=P1(Nc2ccccc2Br)C=C(c2ccccc2)OC(c2ccccc2)=C1 13304264 HUUTZRVEVKHNCM-UHFFFAOYSA-N 438.261 7.167 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@@H](C)c2ccccc2)c1 13512131 CPOWFQBHXRKCGX-INIZCTEOSA-N 448.548 5.195 0 40 IKAB CC(C)Cc1nc(NCc2cccc(C(F)(F)F)c2)c2nnn(Cc3ccccc3)c2n1 13563760 AQFVYZRXZNGOLX-UHFFFAOYSA-N 440.473 5.099 0 40 IKAB COc1cc2c(cc1NC(=O)CSc1ncc(-c3ccc(F)cc3)o1)oc1ccccc12 14709720 OXVTTXYEYKRQTR-UHFFFAOYSA-N 448.475 6.120 0 40 IKAB O[C@@H](COCc1ccccc1Cl)CN(Cc1cccs1)C12CC3CC(CC(C3)C1)C2 16050334 YTCCARMXMPGYCF-HUUFRCNWSA-N 446.056 5.750 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 20549808 PNFWXWGXMHPQBR-LSDHHAIUSA-N 449.956 5.463 0 40 IKAB Cc1ccc2oc(-c3ccc(/C=C\c4ccc(-c5nc6ccccc6o5)cc4)cc3)nc2c1 21986541 SOTPOQQKAUOHRO-FPLPWBNLSA-N 428.491 7.782 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNC23CC4CC(CC(C4)C2)C3)cc1 22073830 PHUNLIFFMHNHIR-UHFFFAOYSA-N 444.388 6.226 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(NC4CCCCC4)s3)cs2)cc1OC 23638122 ICJSPOWZYJXEAO-UHFFFAOYSA-N 448.639 5.716 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)n1 24755954 SECGJPXOWNYTCU-ZDUSSCGKSA-N 427.480 5.401 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 30938715 FIXFGVJOOSVXQB-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccncc2)n1Cc1ccccc1 32070853 MVLCEDCIWYTJGW-OAQYLSRUSA-N 427.533 5.084 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 33000790 MOYYHKFYVDXTSJ-UHFFFAOYSA-N 427.595 5.773 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1C 33068285 YRSDHEBTEQWNEO-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccccc1Cl 33792951 ASKVQXUJRIDWTQ-UHFFFAOYSA-N 441.771 5.249 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Br)cc2F)c2c(C)nn(-c3ccccc3)c2n1 36611701 NCBGHAUAWJYVAA-UHFFFAOYSA-N 439.288 5.191 0 40 IKAB Cc1ccc(-n2nnc(-c3nc(C)c(C(=O)NCc4ccc(C(C)C)cc4)s3)c2C)cc1 38487648 VIROEVFPVZJMPV-UHFFFAOYSA-N 445.592 5.369 0 40 IKAB O=C(Cc1cccs1)N(C[C@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 56907169 HJMHUDALFAUIQJ-CYBMUJFWSA-N 442.484 5.011 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3nc(SCc4ccccn4)sc3c2)cc1 59417560 CZEIGJCHWOBHLL-UHFFFAOYSA-N 449.601 6.415 0 40 IKAB CC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 60208325 VIZJQINRZVWLNJ-QFIPXVFZSA-N 430.895 5.483 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 70691553 VGSSUFQMXBFFTM-BLRRZAIRSA-N 448.732 6.190 0 40 IKAB biogenic CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72215295 IPAAXWASOIIYNO-DENIHFKCSA-N 437.584 5.989 0 40 IKAB COc1ccccc1-c1cccc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72349665 BYDLUTWYNSWLJC-IBGZPJMESA-N 425.532 5.187 0 40 IKAB COCc1ccc(OC)c(CN2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)c1 72372704 CUHHQODFCCBGAR-DEOSSOPVSA-N 447.583 5.033 0 40 IKAB O=C(CCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@@H]1Cc1ccccc1 89830396 XKUHECQSSFVMEQ-NRFANRHFSA-N 429.545 5.099 0 40 IKAB COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Br)cc4)cc23)c1 96184095 YAOCHHNVFVQOGD-UHFFFAOYSA-N 437.289 6.014 0 40 IKAB Cc1ccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1C 96324349 LCKGVTAENMEBCF-UHFFFAOYSA-N 427.891 5.978 0 40 IKAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 100390390 SFPYDOIXKBOBNZ-GDKQOWJMSA-N 443.543 5.043 0 40 IKAB N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccccc3)c2ncn1CCCO 101060718 FTONQWOSFUNKSC-UHFFFAOYSA-N 434.543 5.082 0 40 IKAB Cc1cccc(-n2c(SCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)nc3ccccc32)c1 102208751 YVMJNAXKVMSTOK-NHCICSSKSA-N 436.621 6.430 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102643672 QENWBJAXORFUJO-FPXQBCRKSA-N 439.386 6.763 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)cc1OC 102714426 OJHNSWWTXFWCDI-RUZDIDTESA-N 446.547 5.906 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219766158 JXIWUYTYKXKHBY-UHFFFAOYSA-N 436.939 5.701 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 222457036 RDFLJLJDZWNDHG-NRFANRHFSA-N 435.395 5.176 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 222606230 AXFQEUWMAAGTIE-YDFBLROQSA-N 438.021 6.476 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222785635 IWYAJDRZUYARBS-GOSISDBHSA-N 447.044 5.214 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 223983701 DUTOZNRXIONPDG-SFHVURJKSA-N 426.605 5.398 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)cc2)cc1 223997984 WKWPTOKHEMBARN-QGZVFWFLSA-N 440.590 5.009 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)s2)cc1 224173242 LUORMEVWHZPLMZ-HMMYKYKNSA-N 431.948 6.346 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1COCC(C)C 224741022 IMPRNPGTXDIIAV-UHFFFAOYSA-N 445.003 5.182 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 225138375 RUXHGOASTHQWJR-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225208053 VCPHSKRAHHPIPB-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225282493 YMIOXNKEUJYIDO-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 225518515 VOPPBFIPYAZIBI-XXBNENTESA-N 444.616 5.089 0 40 IKAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225581932 HHOIOVVDSOUGFQ-QFIPXVFZSA-N 427.683 5.920 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OCC 225684863 ONTQHZAYFZIDHX-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cccc(OC)c4OC)C3)c2)cc1 257229375 FXWNQGVFJXAUNM-FQEVSTJZSA-N 446.547 5.103 0 40 IKAB O=C(N1CCC(S(=O)(=O)Cc2ccccc2)CC1)N(c1ccccc1)c1ccccc1 390829953 HRGHDIBECOWTLN-UHFFFAOYSA-N 434.561 5.024 0 40 IKAB CCOc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCc1ccccc1 408632652 GKPZVOJYNJEJPK-HAHDFKILSA-N 447.512 6.023 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1C 408664265 SNBYQNJQOCVYOG-URFUVCHWSA-N 448.349 5.401 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 408732156 SVDQIEKICFZSIO-LGAXSRDJSA-N 429.519 5.585 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 409087051 IRGNUVGKZBEPGO-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)cc1 409330339 LFHYIPBLGOTPBU-GIJQJNRQSA-N 449.359 5.792 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 504294256 RJJBNZOLYQZPJQ-LDWVZXJPSA-N 429.541 5.825 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCCN2Cc2cccc(F)c2)CC1 585100080 FEGWOAJLJWRZBW-MUUNZHRXSA-N 447.598 5.677 0 40 IKAB O=C(COC(=O)c1ccc2noc(-c3ccccc3)c2c1)c1ccc(Br)cc1 822843 UQGDXLGGHADWSM-UHFFFAOYSA-N 436.261 5.297 0 40 IKAB COc1ccc(C(=O)N2c3c(C)cccc3-c3c(ssc3=S)C2(C)C)cc1OC 851499 KBLXYBRLVCOOHM-UHFFFAOYSA-N 443.615 6.427 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 868713 JXOUXHFHIHEGDW-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB COc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 879607 VFLGYGDTUTYBMY-UHFFFAOYSA-N 447.535 5.075 0 40 IKAB Clc1ccc2c(c1)nc(CNc1ccc(N3CCOCC3)cc1)n2Cc1ccccc1 1019586 CLBHVLMIAAKIFY-UHFFFAOYSA-N 432.955 5.187 0 40 IKAB CCN1C(=O)c2cccc3c(NC(=O)c4cc(C(C)(C)C)cc(C(C)(C)C)c4)ccc1c23 1908451 YLDDSCWTCXEWIS-UHFFFAOYSA-N 428.576 6.667 0 40 IKAB Brc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2256157 FGTSWRYMULHEOS-UHFFFAOYSA-N 445.364 5.979 0 40 IKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(Cl)c(C)c1)c1ccccc12 2497190 AKDOTHBVBPITBB-UHFFFAOYSA-N 427.909 5.860 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2780370 BOPZURZRBZAPOM-OAHLLOKOSA-N 442.466 5.284 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1OC 3170911 MVGKCFMRFVDXTM-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB O=C(/C=C/c1ccco1)O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 3259881 BNPDACQLTRCVBJ-WAEYIKQSSA-N 449.812 5.888 0 40 IKAB COc1ccc(CCC(=O)NC[C@@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 3409658 JHNUYNUVYRXPGE-VWLOTQADSA-N 441.575 5.123 0 40 IKAB COc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 6298653 FEGWGVYSFIPVAX-UHFFFAOYSA-N 442.231 5.236 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2ccccc2F)cc1 8702055 BDJFLRMBQZNNAH-UHFFFAOYSA-N 430.874 5.283 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccc(F)cc1 8756159 ZSNQCMKYDNAMPM-QGZVFWFLSA-N 449.913 5.428 0 40 IKAB CCOC(=O)C(Cc1ccc(Cl)cc1Cl)(Cc1ccc(Cl)cc1Cl)C(C)=O 8782071 FVURURJQOKKSNL-UHFFFAOYSA-N 448.173 6.224 0 40 IKAB Cc1ccc(Sc2nc(-c3ccccc3)cc(C)c2S(=O)(=O)c2ccccc2)cc1 8857409 YQFZSYQDGNYEJJ-UHFFFAOYSA-N 431.582 6.349 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 9232638 BVDOYNBYYXKAGN-OTGIAGGSSA-N 436.360 6.407 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1C 9250100 DOPBJTOWPUVJDC-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB COc1cc(CCC2CCN(C(=O)c3csc(-c4cccs4)n3)CC2)cc(OC)c1 9314494 GOYFHEVASHUDJX-UHFFFAOYSA-N 442.606 5.374 0 40 IKAB COc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(C(C)C)cc3)n3ccccc23)c1 9316663 AVOLOLKEKRKLOR-UHFFFAOYSA-N 427.504 5.137 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc(Cl)cc2Cl)CSC3)c(C)c1 9404526 PELMCANBIDEJIW-UHFFFAOYSA-N 448.375 5.560 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2cccs2)o1 9412855 HGWIKQPVFNRDOJ-CYBMUJFWSA-N 425.583 5.744 0 40 IKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 9512339 IGPQBRHXHKILDW-UHFFFAOYSA-N 433.581 5.565 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1cc2ccccc2o1 9518498 GMDPHMPYNAUSEG-UHFFFAOYSA-N 440.411 5.412 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3cccs3)n2C2CC2)cc1 9608160 CUVCERSFHSYXGD-UHFFFAOYSA-N 432.574 5.886 0 40 IKAB COC(=O)c1c(NC(=O)Cc2cccc3ccccc23)sc2c1CC(C)(C)NC2(C)C 9639729 ZZXMNXLVGCODDX-UHFFFAOYSA-N 436.577 5.029 0 40 IKAB CCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9669441 LGXUQDKAVDDYDM-SFHVURJKSA-N 447.391 5.384 0 40 IKAB COc1ccc(N2C3=C(Cc4cc(Cl)ccc4O3)C(=S)N[C@@H]2c2ccccc2)cc1 9673676 UDUMWQJEASFOFL-QFIPXVFZSA-N 434.948 5.631 0 40 IKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4ccc(Br)cc4c32)cc1C 9675850 WTWDQFUMNQEYIO-UHFFFAOYSA-N 428.333 6.620 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 9675937 YDFFIRGLQOSZJV-UHFFFAOYSA-N 441.918 6.379 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(SC)c3)sc2c1 9708013 NNXTUSFXAOAICL-UHFFFAOYSA-N 435.574 5.659 0 40 IKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)Nc2cccc(/C=C/c3ccccn3)c2)s1 9712534 YHMCSCAFXWHUEO-MDWZMJQESA-N 429.520 6.004 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cc4ccccc4)cc3)cs2)cc1 9712782 LKNZCGYBVSXBTE-UHFFFAOYSA-N 448.569 5.057 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccc4c(c3)OCCCO4)cc(-c3ccccc3)nc21 9815914 MWMOFWSANRTLFJ-UHFFFAOYSA-N 428.492 5.093 0 40 IKAB C[C@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nnc(-c2cccs2)o1 9960166 XWZYWCQFILHQIO-NSHDSACASA-N 434.395 5.995 0 40 IKAB CC(C)c1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 10096172 BZQQDWUNILABOJ-UHFFFAOYSA-N 446.641 7.208 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Cl)c(Cl)c4)cc3)oc2cc1C 10120316 OTFYCVPAHSSLPU-UHFFFAOYSA-N 425.315 6.348 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 10128846 LQIVADQPCFMXFK-UHFFFAOYSA-N 427.500 5.775 0 40 IKAB COc1ccc(SCCCC(=O)Nc2nc(-c3ccc4c(c3)OCO4)cs2)cc1 10217978 VSTJQDWHENCDON-UHFFFAOYSA-N 428.535 5.058 0 40 IKAB CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)c1 10331601 MKVCPCSKONZBLY-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cccc(C)c3O)cc2)cc1 12623592 XHHZHPVGACTYPN-UHFFFAOYSA-N 447.531 5.976 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cc(Cl)ccc3C)C2)c2ccccc12 12741188 DGITWFLBFMHYKN-QGZVFWFLSA-N 436.939 5.301 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccco3)c(-c3ccco3)s2)c1 12778260 YFBHGDCVQVYNTQ-UHFFFAOYSA-N 445.294 5.687 0 40 IKAB Cc1ccc(-c2ccsc2C(=O)Nc2cc(-c3nnc4n3CCCCC4)ccc2C)cc1 12798905 LVXIWOOEAINGBE-UHFFFAOYSA-N 442.588 6.269 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(Br)cc1 12992982 KGASGFCTCOURFQ-UHFFFAOYSA-N 425.330 5.076 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2C(C)C)c1 13008624 CMNSKVANKXLYST-NRFANRHFSA-N 444.575 5.937 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c(OC)c1 13112329 XSWNMGNESICMLK-UHFFFAOYSA-N 427.526 5.036 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1ccc(Cl)cc1Cl 13129884 ZZFSOXCRVTZAQR-CYBMUJFWSA-N 443.330 5.604 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 13423853 KSPIGVXMBWTYCY-NDCAPBIGSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 13501141 FZJPEGXRVQXQEN-DEOSSOPVSA-N 448.615 5.224 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C1CCCC1 13562208 RUOGIQNLNKBBJR-SFHVURJKSA-N 449.595 6.264 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCc4ccccc4)cnc3c12 13570615 XUECJMNZMZLQSA-UHFFFAOYSA-N 432.936 5.273 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685295 GGKLAPREKKRELW-WOJBJXKFSA-N 438.527 5.737 0 40 IKAB CC[C@@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 13942986 RVASBEAKFDKOCZ-QGZVFWFLSA-N 446.503 5.168 0 40 IKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C3CCCCC3)c3ccccc3n2C)cc1 13943808 AGGKHIVKVGCKLU-LJAQVGFWSA-N 434.583 7.032 0 40 IKAB O=C(O)c1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 14083990 OFADJYARAFZLPT-UHFFFAOYSA-N 448.906 5.274 0 40 IKAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 14162691 UUDBXSBIBXXYFW-LJQANCHMSA-N 442.625 5.638 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 14223396 ZLQRNPISJBNVOT-UHFFFAOYSA-N 425.941 5.156 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3Cl)nc2c1 14272164 FALFBLDHRZWTOM-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc23)cc1OC 16176406 WVWKURXDNSVORV-QFIPXVFZSA-N 444.531 5.146 0 40 IKAB O=C1/C(=C\c2ccc(Cl)cc2Cl)S(=O)(=O)[C@H](c2ccccc2)N1c1ccccc1 16478445 NDSKVHIHBUXGCW-WVWKGNOCSA-N 444.339 5.495 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 16610716 LEOUKFHSHDTINE-LJQANCHMSA-N 442.559 7.149 0 40 IKAB COc1cc(C)c(CNC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)cc1C 16949685 VMJLCNHZCSRTJT-NGDRWEMDSA-N 433.680 7.236 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 17085964 CMQOLSZFFMRCEE-QGHHPUGFSA-N 435.387 5.221 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)c(Cl)c1 17097776 PUZMSKBLJMABCQ-UHFFFAOYSA-N 431.989 5.020 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Cl 17100045 WBEZJUDGSSAOKA-UHFFFAOYSA-N 436.408 5.665 0 40 IKAB COc1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1Cl 17100912 JAQKOUPNHGVGIE-UHFFFAOYSA-N 436.939 6.151 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 17102424 LHCPDRZQNWCNJU-MRXNPFEDSA-N 438.549 5.540 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 17103146 BUPYJIUVVASFSH-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 19832309 VHQXEEFTKPQEFF-ITMPFJHPSA-N 428.601 5.378 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3)c(Cl)c2)cc1 20107354 HKAWACQURUXDTA-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1cc([C@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 20228687 OEDFWOKQVJHDQD-OWDCXRFMSA-N 444.527 6.149 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCC(c2noc3cc(F)ccc23)CC1 20728797 SFIBQLYXMTZYER-OAQYLSRUSA-N 427.863 5.107 0 40 IKAB O=C(O)c1cc(/C=C/c2cccc(Br)c2)nc2ccc(Br)cc12 21959171 LDARHISNYXBFEC-GQCTYLIASA-N 433.099 5.628 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1-c1ccccc1C 23637631 FUAPOLUFWZHDLX-SFHVURJKSA-N 429.549 5.065 0 40 IKAB CC(C)(C)c1ccc(OCCCSCC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 25223798 YCIWQGNQKHRHGN-UHFFFAOYSA-N 440.609 5.017 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OC(=O)c1ccc(F)cc1 27519497 AYXOBELDALDUON-STZFKDTASA-N 449.459 5.294 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)c(C)c1 28207129 LDYOHJMQSLVLFC-IBGZPJMESA-N 434.561 5.004 0 40 IKAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1Nc1cc(C(C)=O)ccc1OC 28296489 PNWSTAGPLIPUNE-UHFFFAOYSA-N 432.398 5.385 0 40 IKAB Cc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@@H](C(F)(F)F)C3)c2=S)cc1 28783466 CBSXQBDVVKCSAM-QGZVFWFLSA-N 433.503 5.006 0 40 IKAB Cc1onc(-c2ccc(F)cc2)c1C(=O)Nc1c(-c2ccccc2)nc2c(C)cccn12 31886264 FCBCUPQSANFYFC-UHFFFAOYSA-N 426.451 5.665 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)CN1C(=O)c2cccc3cccc1c23 32533332 HDKDATKCGUIFJV-UHFFFAOYSA-N 444.966 5.405 0 40 IKAB CC(=O)c1cccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c1 32578867 UEHXEQWOBXMUFW-UHFFFAOYSA-N 427.460 5.079 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(C)c1C 33660502 SIZMWGXXYJCEBO-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(/C=C2/N=C(SC[C@@H]3CCCCO3)N(c3cc(C)cc(C)c3)C2=O)cc1 33782910 SFUNEDOKAHGDRW-GQBVICOWSA-N 436.577 5.358 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264251 PUDKKXMWLDUSMD-UHFFFAOYSA-N 448.906 5.572 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 59108646 ICULQNGAADHXFB-UHFFFAOYSA-N 429.564 5.048 0 40 IKAB Cc1ccc(C)c(CN(Cc2cc(C)ccc2C)c2ccc3nc4n(c(=O)c3c2)CCC4)c1 65568295 GLSGLWOJVCQRIV-UHFFFAOYSA-N 437.587 5.783 0 40 IKAB CN(C)c1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 67259059 JKLIXMSGOWWUDG-UHFFFAOYSA-N 443.616 6.042 0 40 IKAB Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccccc4Cl)n3)CC2)cs1 72350059 MUICPSSPKFDHNI-UHFFFAOYSA-N 425.985 5.039 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 72375629 WBDHVCVRYZLPGC-NRFANRHFSA-N 435.959 5.182 0 40 IKAB Cc1nc2ccccc2nc1C[S@@](=O)Cc1csc(Cc2ccc(Cl)cc2)n1 84057630 BSCNMFUNLMPING-MUUNZHRXSA-N 427.982 5.088 0 40 IKAB CCCCc1ccc(N(c2ccc(Br)cc2)c2ccc(CCCC)cc2)cc1 85210684 HNGYCECISKVGIZ-UHFFFAOYSA-N 436.437 8.604 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222935839 UICNGIDICRHLOQ-NHCUHLMSSA-N 444.025 6.108 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223139397 FSWUIQYREQTBJE-QFIPXVFZSA-N 430.592 5.414 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 223266148 CPMARGUNZRGGSJ-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223903022 BJCGCNRZYHJYGK-KKSFZXQISA-N 435.395 5.258 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccccc1C(C)(C)C 224508768 VDVFUZYLJIFLID-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(CSc2ccccc2)cc1 224806370 RDUCVSGZIMZHGP-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2sccc2C)cc1C 225148196 VKRRDUGRHUAJOI-NHCUHLMSSA-N 436.606 5.286 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)cc1C 225148268 VKRRDUGRHUAJOI-RTWAWAEBSA-N 436.606 5.286 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)c1 225150588 QETNWNYYIFMLFY-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242281 JIECNRZXFYCNBF-LICLKQGHSA-N 436.295 5.370 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225585794 ZKSYUIPVLSPSBX-UHFFFAOYSA-N 446.994 5.227 0 40 IKAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCC3)n2)CC1 226008375 SVMWRYLOMADNOM-UHFFFAOYSA-N 425.602 5.124 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H](c2csc(Nc3cccc(C(F)(F)F)n3)n2)C1 257222921 DVEAIMMBSNVSFD-GFCCVEGCSA-N 428.480 5.415 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2ccc3ccncc3c2)CC1 257236847 HEAJUDZOMUQPTO-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB CCOc1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1Cl 408632671 GRKAHDOKJIXWSZ-YBEGLDIGSA-N 436.320 5.395 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 408679204 VJJOMSHJNNYYQS-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl 408703629 UZVVIAVWANOCLR-GOSISDBHSA-N 436.939 5.293 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1 408736255 ABKZHUCLFRBQBB-XMMPIXPASA-N 427.504 5.123 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)CC1 408964623 XBIKJLZCJJDQLI-UHFFFAOYSA-N 425.743 5.446 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409091812 RYNIFPVQDWFWRM-PDGQHHTCSA-N 435.376 5.986 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)c2ccccc21 409117222 QOOYSGXJKBKFHZ-VEILYXNESA-N 433.551 6.962 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc4ccccc4cc3O)cc2)cc1 409181399 CBQSAAZJGRGOBW-UHFFFAOYSA-N 440.451 5.113 0 40 IKAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)c4cccc(Cl)c4)CC3)n2)s1 585263346 CLTLWTAJRPLVMI-UHFFFAOYSA-N 426.973 5.338 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1-c1cccc(Cl)c1 585265907 WMABYAWOOQQQJV-JOCHJYFZSA-N 434.923 5.397 0 40 IKAB CC(C)Oc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)c4ccco4)C[C@H]32)cc1 1848351936 XKQOHFUUFVWNDZ-GSDHBNRESA-N 444.575 5.197 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccccc2C)c1C 778368 QZQWMLITZOETPN-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)c1 876057 JOZSMPSOUNUWRJ-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c1 1356130 DBDVOOQCVSXEFH-UHFFFAOYSA-N 446.528 5.201 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1909414 PDZJYSPRKNTLAF-ONOODXEBSA-N 446.012 6.381 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 2050784 TZSCNMHQDPILQV-UHFFFAOYSA-N 444.490 7.062 0 40 IKAB Cc1ccc(-c2c(C)sc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC(C)C)cc1 2107884 GKEWMOCHCIUQGG-UHFFFAOYSA-N 427.953 6.503 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1C 2258374 KBBLTZZDQPURAZ-UHFFFAOYSA-N 441.922 5.678 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 2406488 AHTBHIBBFDTPNO-JOCHJYFZSA-N 437.561 5.184 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(-c3ccccc3)nc(C)c2=O)cc1 2441040 OBFFUZVPECERPO-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2443141 BBPPXKGPQSATCG-GOSISDBHSA-N 429.568 5.160 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCCCC3)c2c1C 2625188 JXBUIMZWMDMKAK-UHFFFAOYSA-N 427.595 5.459 0 40 IKAB Cc1sc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c2c1-c1ccc(F)cc1 2679285 RZINFENXLGXTFB-UHFFFAOYSA-N 442.515 7.177 0 40 IKAB Fc1ccccc1N1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)CC1 2714111 PIZSBMZHAZVOCX-UHFFFAOYSA-N 449.533 5.553 0 40 IKAB Cc1cc(Br)ccc1SCC(=O)OCC(=O)c1ccc(Cl)cc1Cl 3231831 GDZZTGIMJYJLMW-UHFFFAOYSA-N 448.165 5.583 0 40 IKAB O=C(NC(=S)Nc1cccc(O)c1)c1cc(-c2ccccc2Cl)nc2ccccc12 3262451 OXZYMZVMESBYNA-UHFFFAOYSA-N 433.920 5.388 0 40 IKAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1Sc1ccc(Cl)cc1 3297742 FRZDZUWAXAEYKU-UHFFFAOYSA-N 443.937 5.865 0 40 IKAB O=c1cc(C(F)(F)F)c2ccc(OCCOc3cccc(Br)c3)cc2o1 3373735 NLHXXEYRCAMSMP-UHFFFAOYSA-N 429.188 5.032 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655616 XOICNVQXRXFPTD-UHFFFAOYSA-N 445.490 6.252 0 40 IKAB CNc1ccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 3828639 YLHJUSKJLHTVJY-UHFFFAOYSA-N 429.564 5.209 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1)C1CCCCC1 6752568 OXJLSLHFBWTWQW-UHFFFAOYSA-N 425.960 5.008 0 40 IKAB aggregator CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 8254073 CMWMCGMQCUVVQN-UHFFFAOYSA-N 425.956 5.659 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1cc2c(s1)CCCC2 8693875 CLSOZRUCCMAFPW-UHFFFAOYSA-N 446.981 5.333 0 40 IKAB COc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc(Cl)cc1 8721966 HCVRMDJHLVGFBT-LJQANCHMSA-N 442.924 5.100 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 8831879 ORXCQWXRTZDGEU-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 8922875 QAMZDHJBEHMXMD-HXUWFJFHSA-N 427.957 5.857 0 40 IKAB Cc1ccccc1NC(=O)N(O)[C@H]1N(c2ccccc2C)C(=O)N(CCC(C)C)C1(C)C 8926372 PSMWGZMFZMYGTH-JOCHJYFZSA-N 438.572 5.620 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc1O2 8961481 MVZYXRCQFWLIGK-UHFFFAOYSA-N 448.544 5.057 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)c1ccc(C)cc1 9250195 RMRXPCUIYJLPBH-UHFFFAOYSA-N 434.561 5.633 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 9301379 VKSWGTSPUWNCAR-ZZIIXHQDSA-N 445.584 7.078 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)cc1Br 9312433 FOXNYDDNLFCVHL-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB COc1ccccc1OCCNCc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 9464542 IRFZIYRHTKRRFY-UHFFFAOYSA-N 445.346 5.423 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)N(c1ccccc1)C1CCCCC1 9500721 DWMBTFKCHZNBKJ-UHFFFAOYSA-N 432.549 5.676 0 40 IKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)Nc4ccc(Cl)cc4)ccc3o2)cc1 9660235 CSTMYOWZXNHDQJ-UHFFFAOYSA-N 434.879 6.156 0 40 IKAB biogenic O=C(CCCSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc(F)cc1 9779514 MFOQJEDEYFTBDQ-UHFFFAOYSA-N 432.524 5.283 0 40 IKAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 12132183 QUTAJCWOPWLGOK-UHFFFAOYSA-N 434.492 5.431 0 40 IKAB C[C@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12154870 GWGRUJXYLRSUCC-JTQLQIEISA-N 432.899 5.329 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 12219823 LXZDXQKICGMAMX-CYBMUJFWSA-N 436.503 5.229 0 40 IKAB Cc1noc(C)c1C(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12230065 NZBFKENMPZZZKX-HNNXBMFYSA-N 449.477 5.018 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)c1C 12494197 WWQLEMWNYXHGAU-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ccnn1C1CCCC1 12680824 HAXHFAOCCREYHL-UHFFFAOYSA-N 435.578 5.401 0 40 IKAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(Br)ccc3Cl)n2)C1 12759714 LUMXAYMTTDXQBD-LLVKDONJSA-N 428.783 5.043 0 40 IKAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 13026769 IBRCRYAEBPBNPH-HSZRJFAPSA-N 436.577 5.346 0 40 IKAB O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1Sc1nc2ccccc2s1)c1ccccc1 13133816 VOKYGOZSFFERIH-FPOVZHCZSA-N 438.599 5.033 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 13498415 FAQGQGCPCLFWSQ-AREMUKBSSA-N 446.616 5.741 0 40 IKAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C(=O)O2)cc1 15838260 RNJVWGRROGDZIJ-OAQYLSRUSA-N 425.406 5.720 0 40 IKAB O=S(=O)(c1ccccc1)c1c(-c2ccccc2)c2ccccc2[n+]([O-])c1-c1ccccc1 16492505 WKPBFNWTIAOXTO-UHFFFAOYSA-N 437.520 5.640 0 40 IKAB C[C@@]12CC3CC(NCc4c(OCc5ccccc5F)ccc5ccccc45)(C1)C[C@](C)(C3)C2 16605738 NPPLZTDIIFWTHX-NBXSJDBDSA-N 443.606 7.397 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccc(Cl)cc2Cl)c2n[nH]c(=S)s2)c1 16769704 VPQVUTYYSIZRFN-UHFFFAOYSA-N 425.366 5.593 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(Cl)cc1Cl 17102631 BOQATSRIPNSVNM-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 17102688 OJEYUHVJHVBEAK-OVCLIPMQSA-N 438.575 6.628 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)C[C@@H]2c3ccccc3C=CN2C(C)=O)cc1 18239026 USQPYCJXXADDOO-HSZRJFAPSA-N 428.488 5.390 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1Cl 19642927 ICECPESEPUDQGS-CSKARUKUSA-N 445.371 6.397 0 40 IKAB COc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 19645696 BUUAKDQSQYBSLR-UHFFFAOYSA-N 447.376 6.653 0 40 IKAB O=C(CC1CCCCC1)N1CCO[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693222 RWTGCZWYTRGBKP-IBGZPJMESA-N 433.474 5.033 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 19881501 MKJBRTFLQVQNBR-IBGZPJMESA-N 448.994 6.841 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20457202 GOIFPJJDSULDNA-OAHLLOKOSA-N 426.409 5.934 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 20490845 QNULUQVOXYZWDG-RPLLCQBOSA-N 444.600 5.384 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1OC 20899483 QNHJUKRXAAZLSN-NRFANRHFSA-N 448.950 5.791 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)Cc1c(C)nn(-c2ccccc2)c1Cl 21582626 XFLYUPSQGDARPN-UHFFFAOYSA-N 427.961 5.358 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1Cl 22579395 URXFFKUSDVTJFQ-GFCCVEGCSA-N 441.305 5.001 0 40 IKAB C(=C/c1cn(-c2ccccc2)nc1-c1ccccc1)\c1nn2c(-c3cccnc3)nnc2s1 27025635 UTOXGZQMRCGZFM-BUHFOSPRSA-N 447.527 5.271 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c(C)c1 32112013 KEWDMGDFROEYQF-UHFFFAOYSA-N 428.488 5.628 0 40 IKAB O=C(COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N1CCCC1 32616779 UFSKZPPIXNRQTD-UHFFFAOYSA-N 442.946 6.223 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623580 UMZSEYJVWVSPMZ-OAHLLOKOSA-N 449.894 5.472 0 40 IKAB CC(=O)c1cccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 35291248 MQUZLHANVJIVKY-UHFFFAOYSA-N 430.483 5.181 0 40 IKAB Cc1ccc(-c2noc(C3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)n2)cc1 35671826 DXKLGOGLSXMJGK-UHFFFAOYSA-N 437.543 5.583 0 40 IKAB Cc1cc(C)c2c(NC(=O)c3ccccc3)c([C@H](c3ccccc3)c3ccc(C)o3)oc2n1 36559019 JNBNGPNQTJPYSN-XMMPIXPASA-N 436.511 6.779 0 40 IKAB CC[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)n1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1 36617871 XNJJKNZTHFJFFZ-FQEVSTJZSA-N 445.350 5.649 0 40 IKAB COc1c(Br)cc(CNc2ccc(Br)cc2)cc1Br 37203579 GGKWMJQITMPQES-UHFFFAOYSA-N 449.968 5.595 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 39755665 PNJIDOHDLGWLIN-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@H]3c3ccc(OC)cc3OC)cs2)c(OC)c1 39987615 SNSKHNDADLNAIJ-NRFANRHFSA-N 440.565 5.182 0 40 IKAB O=C1/C(=C/c2cccc(Br)c2)N=C(S)N1c1ccc(OC(F)(F)F)cc1 48234961 STPMGALSMKXCHB-ZROIWOOFSA-N 443.244 5.021 0 40 IKAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N(Cc1ccco1)Cc1cccs1 57614135 KFNUXOPRMHDDEF-JOCHJYFZSA-N 435.597 5.573 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(Cl)ccc1F 67293112 XVNAGMIKWUGUBU-UZGAPFOWSA-N 435.282 5.020 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc(Cl)c2)c2ccccc21)c1ccc2ccccc2c1 68713098 GAAASXQLZLBYRB-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB COc1ccc(-c2nc3c(c(C)nn3-c3ccccc3)c3cc(OC)c(OC)cc23)cc1O 70503662 VJTZOMAFXNBIFW-UHFFFAOYSA-N 441.487 5.281 0 40 IKAB CCCN(C(=O)c1ccc(Br)o1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 72300887 KDEXPMPHUZIBTG-HXUWFJFHSA-N 431.305 5.526 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2cccc(OC)c2OC)n1 72390678 FXGDUJBXQSZRNJ-JOCHJYFZSA-N 432.568 5.236 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038135 JDQHDZNKVABJSK-UHFFFAOYSA-N 438.506 5.593 0 40 IKAB COc1cccc(-c2ccc3nc(C4CCN(C(=O)c5ccc(Cl)cc5)CC4)nn3c2)c1 96155776 DZLXARXZALDQIH-UHFFFAOYSA-N 446.938 5.078 0 40 IKAB O=C(OCc1csc(-c2ccccc2)n1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102188042 NAZLHYFLVDHFRK-VKFLQFAXSA-N 432.383 5.587 0 40 IKAB FC(F)(F)[C@@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@H]2SC3=C(CCCC3)N21 102197078 LPNUZJDVGVVRFO-RTWAWAEBSA-N 430.499 5.591 0 40 IKAB COc1ccc(CCn2c(-c3ccc(C)cc3)cs/c2=N/c2ccccc2)cc1OC 102680087 FHTULVLKVYENCC-CYYJNZCTSA-N 430.573 6.017 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2ccc(Cl)cc2)cc1 138108408 ASCUOVHEFPITJZ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(NCc1ccc([C@H](O)c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 207966670 GAJMTJQRVINVEF-HSZRJFAPSA-N 433.554 5.445 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 222600413 GGPAICZCBMEQKF-SVIJTADQSA-N 429.376 5.768 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222988884 JATUCSGZBIMKMN-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB Cc1cccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1C 223948745 KMRYWJVDISPYMZ-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224182199 TWUNCAVXBZUGRB-GOTSBHOMSA-N 441.512 5.217 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224206550 MUODSRFZABYUHT-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 224238886 QWGPCULJLCIGNJ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)c1 224314393 UGZADTKQBZIOTO-JWQCQUIFSA-N 439.588 5.120 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)cc1 224350984 GLZXXFKVZWIIGC-UHFFFAOYSA-N 441.936 5.680 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)nc1 224456774 XCZMSMBWLZQGCZ-PKTZIBPZSA-N 445.979 5.406 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224527624 NRZZMNLOFRBARB-UHFFFAOYSA-N 437.624 6.805 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CC1 224863149 PCTZAHKKRMXZKA-YADHBBJMSA-N 438.984 5.371 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2sccc2C)ccc1Br 224918230 JOVROTAAZXLZKC-ROUUACIJSA-N 444.423 5.700 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 225679611 FSHVUMLKPLIFFW-GOSISDBHSA-N 432.973 5.414 0 40 IKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1cc(C(F)(F)F)ccc1Cl 225808613 QHKHDBFJGKRJNY-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB CCc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408667363 VJWSTXDNSBCXCL-URFUVCHWSA-N 448.349 5.347 0 40 IKAB O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)NC1CCCCC1 408980835 SVLSFVSSXKXFJO-UHFFFAOYSA-N 434.590 6.541 0 40 IKAB CCOc1ccc(Br)cc1C[C@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409146621 RJWADOXBQKTRJF-MRXNPFEDSA-N 440.746 5.312 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c(C)c1 409195006 OIEIAZAXXWJJPZ-UHFFFAOYSA-N 440.568 6.696 0 40 IKAB CC(C)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)cc1 409412532 SXHSHZFSKQXXNX-UHFFFAOYSA-N 425.868 5.331 0 40 IKAB CC(C)C[C@H](Nc1cc(Cl)cc(C(=O)O)c1Cl)c1ccccc1N1CCCCC1 521806765 RYSMJFOHOXIIBR-IBGZPJMESA-N 435.395 6.881 0 40 IKAB CC(C)(CC(=O)O)CC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643578089 DIOWCPNHUOUJMZ-UHFFFAOYSA-N 440.540 5.046 0 40 IKAB CC[n+]1c(/C=C/C=C2C=Cc3c(c(C)n(-c4ccccc4)c3C)C=C2)ccc2ccccc21 685944229 FEENDLKPDUZROO-UHFFFAOYSA-N 429.587 7.235 0 40 IKAB O=c1nc(Nc2ccccc2)c(Cl)cn1-c1nc(-c2ccccc2)oc1-c1ccccc1 799221 FBGGKMGEPCHVBZ-UHFFFAOYSA-N 440.890 5.952 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 850290 AZRKMZDYYDRLIE-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)NC1CCCCCCC1 901621 WTHSFEBLSNJDBA-UHFFFAOYSA-N 429.533 5.545 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1C 1106003 SWQWTLBLRVRHNA-UHFFFAOYSA-N 444.601 5.242 0 40 IKAB CC1(C)Cc2nc3sc4c(OCC(=O)c5ccc(Cl)cc5)ncnc4c3cc2CO1 1301661 QGHDEAIDFSGHDE-UHFFFAOYSA-N 439.924 5.006 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3ccc(OC)c(OC)c3)cc12 1303818 SFZBISOHUKMHDG-UHFFFAOYSA-N 426.465 5.143 0 40 IKAB biogenic CCOc1cc([C@H]2NCCc3c2[nH]c2ccccc32)ccc1OCc1ccccc1Cl 1322396 RXXKBFWBKYKLPJ-RUZDIDTESA-N 432.951 6.034 0 40 IKAB biogenic O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1cccs1)C(=O)Cc1cccs1 1336116 XRZPSVYTPPMDNH-QFIPXVFZSA-N 442.606 5.164 0 40 IKAB COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1 1353284 ZGAHDGHSHMMPCZ-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)NCc3ccccc3)cc2c1 1371552 NYFGDJNYLBMGIM-UHFFFAOYSA-N 431.561 5.118 0 40 IKAB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1nc2ccccc2[nH]1 1512511 DBNLRJORVQJJCP-NRFANRHFSA-N 445.320 5.317 0 40 IKAB CCCC[C@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1635371 HTVPDYDMQDWRDO-ZEQRLZLVSA-N 436.420 5.696 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4)cc1 1773943 UTWTVTCBYWNARU-UHFFFAOYSA-N 433.573 6.563 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc4ccccc4c3)c(C)c2oc1=O 2092888 FAZKTIVHABASAV-UHFFFAOYSA-N 430.500 5.638 0 40 IKAB biogenic CCOC(=O)c1cc(NC(=O)c2cccnc2Cl)ccc1Oc1cncc(Cl)c1 2163231 SPJMKFAZUCUZKR-UHFFFAOYSA-N 432.263 5.005 0 40 IKAB c1ccc(Cc2nc(Sc3nc4ccccc4s3)c3c4c(sc3n2)CCCC4)cc1 2180571 UXMSWEYMUBFREQ-UHFFFAOYSA-N 445.638 6.922 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(C)c2C)cc1 2375667 FFDLACMVRUKURE-UHFFFAOYSA-N 428.532 5.548 0 40 IKAB Nc1c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc2n1C1CCCCC1 2407298 BNVLERFDQANXGG-UHFFFAOYSA-N 427.552 5.035 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nccs1 2422578 MSJVRSSJTIUQDQ-MRXNPFEDSA-N 429.284 5.306 0 40 IKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1)C(=O)C2 2429045 VBGYCDMRHYUTGY-AREMUKBSSA-N 435.951 6.125 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1cccc(Cl)c1 2450908 BTSIEEMNJYKPPL-UHFFFAOYSA-N 428.989 5.647 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)Nc1ccc(-n2cnc(Cl)c2Cl)cc1 2561969 MZZLVVRRWSGYNM-UHFFFAOYSA-N 431.201 5.722 0 40 IKAB COc1cc(C(=O)OCc2ccc(Br)cc2)ccc1OCc1ccccc1 2644712 BJXFEVMZEGVTIO-UHFFFAOYSA-N 427.294 5.394 0 40 IKAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1cc(Cl)cc(Cl)c1)c1cccc(F)c1 3214062 GTHUKNXRDQJAFU-UHFFFAOYSA-N 443.261 5.033 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3226667 XASGCJDYBYMROD-INIZCTEOSA-N 428.513 5.098 0 40 IKAB CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4174599 COHHINVPZAHRJL-UQJUWTFNSA-N 449.547 5.504 0 40 IKAB CN(C)C1CCC(Nc2nc(Nc3cc(Cl)cc(Cl)c3)nc3ccccc23)CC1 5085502 RKXWQFYQZDURPK-UHFFFAOYSA-N 430.383 5.965 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 5949602 VCWRTYSELLQTOI-CUFLOJEWSA-N 438.571 6.634 0 40 IKAB CC1CCN(c2ccc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc34)cc2)CC1 6144196 NFSXKKCWWMOXDR-XLVZBRSZSA-N 428.963 7.222 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 8383406 DKIHLOGLARLQTJ-UHFFFAOYSA-N 439.467 5.140 0 40 IKAB CCC[C@@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 8454310 DFOQZEFZDFHNFZ-VIFIAVEJSA-N 447.255 5.384 0 40 IKAB c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cs2)c1 8709743 IXJQYSWSNDURPR-AWEZNQCLSA-N 446.648 5.663 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1C 8832199 QFCUCFLTOXYUMG-UHFFFAOYSA-N 448.954 5.832 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)c3c(c12)CCCC3 9015848 LUTUZTMONQNUEC-UHFFFAOYSA-N 433.964 6.330 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 9062177 SHAJVBGPSSHBGV-CCEZHUSRSA-N 426.501 5.109 0 40 IKAB Clc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9292692 BJYTZTREKYKEEF-CTNGQTDRSA-N 438.756 6.599 0 40 IKAB CCOc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292835 XLFGJRLYWRFFKK-FYYLOGMGSA-N 448.364 6.344 0 40 IKAB Cc1cccc(-c2nnc(SCc3cccc4ccccc34)n2-c2ccc(Cl)cc2)c1 9307546 ZFBTWEYJPZGHMY-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(C)cc2)c1 9387232 AHGBLNJJTKHDIU-RTWAWAEBSA-N 430.548 5.511 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1 9586030 NSSOGORGVMIIJX-UHFFFAOYSA-N 447.560 5.500 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1 9588180 LFSQQICLCGNEGS-VWLOTQADSA-N 440.499 5.479 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 9671065 CNEHUZYMIFOLQS-UHFFFAOYSA-N 445.953 5.734 0 40 IKAB COc1cc(CC(=O)O[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc(OC)c1OC 9671128 FYULPOWRFZONJI-AREMUKBSSA-N 448.515 5.039 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc(-c3ccccc3)[nH]2)cs1 9684906 VWYDAWFXHVUQTE-UHFFFAOYSA-N 435.578 5.522 0 40 IKAB Cc1ccc(Cn2nc(C)c([C@@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2C)cc1 9740537 GKUNWPXVSDZRNJ-RUZDIDTESA-N 426.520 5.216 0 40 IKAB O=c1oc2ccccc2c(O)c1C(c1ccccc1Cl)c1c(O)c2ccccc2oc1=O 9779148 XJJPVDONOLMSOS-UHFFFAOYSA-N 446.842 5.144 0 40 IKAB Cc1cccn2cc(CSc3nnc(-c4ccccc4F)n3Cc3ccccc3)nc12 9984841 NMQVCZVBQALCCF-UHFFFAOYSA-N 429.524 5.381 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1c(F)c(F)c(F)c(F)c1F 10042296 KSRKZQMTLHXJQV-UHFFFAOYSA-N 431.316 5.408 0 40 IKAB Cc1cc(Nc2ccc(Cl)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493584 UCBNBGWFXJGQNM-UHFFFAOYSA-N 437.252 6.774 0 40 IKAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccccc1Cl 11613702 FMADBUKDZLQFQG-UHFFFAOYSA-N 431.908 5.426 0 40 IKAB O=C(CCSCc1cn2ccccc2n1)N[C@@H](c1ccc(F)cc1)c1cccs1 12735490 YWRJRRGUQWFFQG-QFIPXVFZSA-N 425.554 5.064 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)Cc3ccc(OC)cc3)cc12 13129796 HPVLMRULXGUDQO-UHFFFAOYSA-N 430.456 5.433 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2C1 13133770 CYQBCFMVSTUGBR-ZDUSSCGKSA-N 443.330 5.462 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1cccs1 17101522 GQPQWCRMIJSDQW-UHFFFAOYSA-N 437.546 5.309 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 17103211 RWPVHSUCGGTBKN-DHZHZOJOSA-N 439.367 7.230 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(CSCc2ccccc2Cl)s1 17113103 DSSHPSCHLLVRLU-UHFFFAOYSA-N 425.366 5.922 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(C(C)C)nn4C)C3)c(-c3ccncc3)c2c1 19220272 NJJADLMIESRWEH-FQEVSTJZSA-N 441.579 5.415 0 40 IKAB Cc1nc([C@@]2(O)CCCN(C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 19705244 SQORXFUQXZIXAV-HSZRJFAPSA-N 436.568 5.315 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2)cc1 20970069 FKWNELNDCAAGJA-XMMPIXPASA-N 442.950 6.180 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072342 FRCNUZJKHHUPJS-UHFFFAOYSA-N 437.124 6.147 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc2ccccc12 32114444 HWRWKIMASUEBGJ-UHFFFAOYSA-N 448.909 7.707 0 40 IKAB CN(Cc1ccccc1NS(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCCC1 32905429 MVPMPCDAWHKSTD-UHFFFAOYSA-N 442.503 5.151 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3n2)cc1 32985625 AGRLOAURYXORKN-UHFFFAOYSA-N 426.516 6.051 0 40 IKAB Cc1ccc2sc(-c3ccc(N4C(=O)C[C@@H](Sc5ccc(N)cc5)C4=O)cc3)nc2c1 34926271 QZDLMIRUNBRTEU-OAQYLSRUSA-N 445.569 5.278 0 40 IKAB CSc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 35314219 MGOYUUGBSUUTJV-UHFFFAOYSA-N 434.540 5.701 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(F)c(F)c1F 35684908 VHDLSNPYQYWDDZ-CQSZACIVSA-N 434.805 5.101 0 40 IKAB CCc1cccc2c(/C=C3\NC(=S)N(c4ccccc4)C3=O)cn(Cc3ccccc3)c12 39556349 WVOWUSSNRGTPAI-JLPGSUDCSA-N 437.568 5.514 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 39556854 MYORLIQCRUMWNZ-LPYMAVHISA-N 445.881 5.579 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)ccc21 39858284 GDIMDQDVSGWCRQ-HNNXBMFYSA-N 437.337 5.983 0 40 IKAB CC(C)[C@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 39984351 NUSWDHITESHHGL-NRFANRHFSA-N 428.579 5.089 0 40 IKAB O=C(Nc1cccc(-c2nccs2)c1)c1ccccc1CSc1nc2ccccc2o1 40151074 ZDIMNXTWUPFXIP-UHFFFAOYSA-N 443.553 6.496 0 40 IKAB CCc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(F)cc1 40396732 ZOCSZTYULSNEOC-UHFFFAOYSA-N 432.886 5.114 0 40 IKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44885487 UIDQFUYKNFIVCD-LJQANCHMSA-N 428.381 5.209 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1C 45890927 RTSCSXUERPXILU-UHFFFAOYSA-N 426.152 5.225 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2cc3ccccc3oc2=O)c1 59477536 XQNMYECOGRVAIF-JQIJEIRASA-N 433.463 6.372 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294503 OGCNDUBLRSJCSU-COOPMVRXSA-N 446.890 5.748 0 40 IKAB CCCCC1(CCCC)c2cc(Br)ccc2-c2ccc(Br)cc21 72232708 FGJQIUMIEAWVML-UHFFFAOYSA-N 436.231 7.859 0 40 IKAB CC[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 72303034 RDJBNNMAGAXSBV-HXUWFJFHSA-N 437.971 5.051 0 40 IKAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371611 RRCJLJRHAYZUNZ-OAQYLSRUSA-N 449.982 5.193 0 40 IKAB O=C(Oc1cccc2ccccc12)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Oc1cccc2ccccc12 100026380 XPWPZXGCDIIACE-LKSLQULUSA-N 434.491 5.942 0 40 IKAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100904622 AHBVEJGRKQGFOL-NRFANRHFSA-N 437.305 6.447 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 101191437 FMHHFDNLURANAG-OWCLPIDISA-N 440.897 5.602 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(Cl)c1O 106719558 SPTAARKRRIKLSR-ODLFYWEKSA-N 425.893 5.444 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 107043024 QZRABWPVFPWBSK-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1cc(Cl)ccc1OCc1ccccc1 219765721 MWZYNUTWPGRVBR-UHFFFAOYSA-N 434.692 6.073 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 222456604 BUTWIAAQCPINMD-NRFANRHFSA-N 435.395 5.176 0 40 IKAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)C(c1ccccc1)c1ccccc1 222936527 BWDZVCPQAOASSY-UHFFFAOYSA-N 429.951 5.639 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 223227501 PRWTVKMGJCVBER-IBGZPJMESA-N 447.044 5.297 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223721259 ZPDSYXAAWOMBTL-GOSISDBHSA-N 445.028 5.049 0 40 IKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1cccc(C)c1 224117174 IYBRZNXJUIHYTR-UHFFFAOYSA-N 437.539 6.102 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224158145 IEMNJKIKWQMGMV-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224300575 BWXOOQHWDQDAEV-FQEVSTJZSA-N 440.603 5.245 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 224384626 OUUYMTWCNVHLBT-UIOOFZCWSA-N 438.600 6.173 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224705812 ONUFVCRPLUBQHO-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 224907297 ZPWNHOQDCWQAKX-KRWDZBQOSA-N 449.422 5.432 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2cccc(C)c2)cc1Cl 225700717 QMSZZFXKCWLELO-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB O=c1sc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2n1Cc1ccccc1 225738763 WNHLJDSCFNTOCR-UHFFFAOYSA-N 446.553 5.065 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)cc1 225870041 TZSUMAFSXPQTRW-UHFFFAOYSA-N 437.609 5.276 0 40 IKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCOc4cccc(F)c4)C3)nc2)c1 257245908 IRPQNOZASMUSJO-HSZRJFAPSA-N 432.539 5.295 0 40 IKAB C[C@H]1CCCN(c2cc(N3CCCC[C@@H]3C)nc(NC(=S)NC3CCCCCC3)n2)C1 260712589 JKMSFRNKPYCWGO-OALUTQOASA-N 444.693 5.101 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1F 408552058 NPNPVDBQIFLFPC-UHFFFAOYSA-N 442.512 5.011 0 40 IKAB COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 408572434 GZIOQRKEQOVGOZ-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408573237 JHZPANDEJANHAA-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408573363 CUBNGKLAJDZQEV-UHFFFAOYSA-N 430.356 6.096 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(Cl)cc3)c3ccccc3n2)cc1 408643294 ABGFLNKRHUHATM-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)ccc3C)c3ccccc3n2)cc1 408666395 HUVMQDIVDAGEAL-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(Cl)cc2)cc1C 408698127 NYLRCFPEWDEFGS-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1cccc2ccccc12 408713996 GBSLWKMDFDBYLI-UHFFFAOYSA-N 429.520 5.225 0 40 IKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 408728309 ZMHQQTOZOXXSIB-CXUHLZMHSA-N 437.746 5.517 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)N1c1ccccc1 408812990 COASDYLDVLLMEF-UCQKPKSFSA-N 444.943 6.584 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409365294 YYSAUNIMHRDDOU-OJSPLJLUSA-N 438.549 5.156 0 40 IKAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc(Cl)cc1Cl 1396484 UREJENZGNDTRON-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB CCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)c(C)c2oc1=O 2150098 OTGPIQPHXFBQOH-UHFFFAOYSA-N 433.504 5.043 0 40 IKAB biogenic COc1ccc(C(=O)COc2ccc3c(=O)c(Oc4cccc(OC)c4)c(C)oc3c2)cc1 2152977 YILJDBNKCQKBID-UHFFFAOYSA-N 446.455 5.173 0 40 IKAB biogenic CC[C@]1(C)Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 2208296 HCESPOOFZSIYOH-RUZDIDTESA-N 448.613 5.981 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3)c1ccccc1 2254538 BOSIIXBNTNGMMU-UHFFFAOYSA-N 438.618 5.817 0 40 IKAB CSc1nnc2n(Cc3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2282293 XINMJJPCAKTHEV-OAHLLOKOSA-N 438.622 5.027 0 40 IKAB Cc1cccc(N2CCN(C(=O)CCCSc3nc4ccccc4s3)CC2)c1C 2629207 KSQTXLOLLHWDAM-UHFFFAOYSA-N 425.623 5.134 0 40 IKAB O=C(NCCc1ccccc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3033237 XBGDZHFZZZZWEF-UHFFFAOYSA-N 429.523 5.936 0 40 IKAB biogenic COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 3227801 GAQHNQNBVRGGNI-OAQYLSRUSA-N 447.478 5.572 0 40 IKAB O=c1[nH]c(CSc2ncnc3sc4c(c23)CCCC4)nc2sc3c(c12)CCCC3 3356431 IDLAGLMYEQDMOX-UHFFFAOYSA-N 440.619 5.039 0 40 IKAB Cc1cc(-c2csc(NC(=O)[C@@H]3COc4ccccc4O3)n2)c(C)n1Cc1ccccc1 3380636 MZGCFEJRYOFSHI-QHCPKHFHSA-N 445.544 5.055 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2sc3ccccc3c2Cl)cc1 3655332 MYVVXRMSTPBHEM-UHFFFAOYSA-N 445.927 7.093 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccc(OC)cc1 4043177 JSHXXHUKOLMTHC-XTEPFMGCSA-N 437.624 5.905 0 40 IKAB biogenic Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)c1 5235762 ZOUBCABTDWMUAG-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1n[nH]c2nnc(-c3ccccc3)c(-c3ccccc3)c12 8382949 XCELKEPFLAKXAO-UHFFFAOYSA-N 440.894 5.984 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H](c1ccccc1)N2 8430026 LSEFRFXCYUDJGN-DZBNJKESSA-N 428.963 6.889 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 8861751 FKVRADKHHIQBAT-CSKARUKUSA-N 445.733 6.551 0 40 IKAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 8981331 LNHZCMQMQGNHPX-GOSISDBHSA-N 434.403 5.817 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)C34CC5CC(CC(C5)C3)C4)n2C(C)C)cc1 9377548 NIAJWHGPDQUYRF-DUXBZUBYSA-N 439.625 5.801 0 40 IKAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(Br)c1 9410345 XSDGQCLJOHEKAW-UHFFFAOYSA-N 434.721 5.203 0 40 IKAB CC(C)c1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2c[nH]c3ccccc23)cc1 9482187 SYCGYIKYPDWFRD-UHFFFAOYSA-N 431.580 6.830 0 40 IKAB CCN1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)CC1 9531137 XIFBFSIYMUGNAY-UHFFFAOYSA-N 431.971 5.191 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9632441 NSVVFNBJXXTYCF-UHFFFAOYSA-N 440.981 5.688 0 40 IKAB COc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(Cl)cc2)cc1 9633653 URPVAMIGSFSMJY-UHFFFAOYSA-N 437.926 8.023 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1 9676115 RWWDVDMVNTVEPO-UHFFFAOYSA-N 432.296 6.451 0 40 IKAB Fc1ccc(-c2ccc(-c3cc(-c4ccccc4)nnc3-c3ccccc3)o2)cc1Cl 10272151 FSDGXGHTUFGPDD-UHFFFAOYSA-N 426.878 7.530 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2C)cc1 10314374 LWJQAQMQDGCRRX-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1c(OCC(=O)c2ccc(Br)cc2)ccc2c3c(c(=O)oc12)CCCCC3 11692240 FILIMECGJHPVLH-UHFFFAOYSA-N 441.321 5.395 0 40 IKAB CCCCc1ccc(N[C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 12410946 ITCKZAHQEDFEIX-DEOSSOPVSA-N 436.393 7.218 0 40 IKAB O=C(Nc1nc2ccccc2s1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 12569572 MFJJFCQQIJEOLK-UHFFFAOYSA-N 431.908 5.450 0 40 IKAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN(Cc1ccccc1)Cc1ccccc1 12604268 DCKDSANJVOAISP-UHFFFAOYSA-N 431.517 5.261 0 40 IKAB O=C(Nc1cc(Cl)cc2cccnc12)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 12824043 KDZSFQNSCRPEFG-UHFFFAOYSA-N 434.780 5.484 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]21 12880788 AJRXQQMYPFLZEZ-MZNJEOGPSA-N 444.918 5.529 0 40 IKAB biogenic COc1ccc(-c2cc3ncnc(N4CCC[C@H]4c4nnc5n4CCCCC5)c3s2)cc1 12881073 VQISUCHPJHOTIW-IBGZPJMESA-N 446.580 5.026 0 40 IKAB Cc1cccc(OCCCn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1 13039582 FGGUQPORRZOLOW-HSZRJFAPSA-N 426.604 7.164 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 13097015 CESQILIVMRWYSQ-GQCTYLIASA-N 426.727 5.480 0 40 IKAB Cc1ccc(C)c(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 13450343 QWTMNWGYTSWYQJ-UHFFFAOYSA-N 435.471 5.883 0 40 IKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 13946080 GSCFNCUVAKCDIU-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCCCC1 14273131 VADQEKKDMWQXLM-JLHYYAGUSA-N 441.358 6.896 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 15275834 UWVNFTWBEUTCTM-DEOSSOPVSA-N 426.472 5.170 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(CN4CCOCC4)cc3)o2)cc1Cl 17100920 ABRJZQWJCZUHTE-PKNBQFBNSA-N 436.939 5.393 0 40 IKAB Cc1nc([C@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19696402 XVBCYNCIZFGILF-HSZRJFAPSA-N 436.575 5.263 0 40 IKAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3cccc(C)c3C)CC2)s1 19819558 NELKHIQVXYZTDV-UHFFFAOYSA-N 425.623 5.078 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 20484931 CJWXKSNMBPJUCG-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)Sc2nc(C(F)(F)F)nc3ccccc23)c(C)c1 22762374 SXGLJNVKQQLRCH-CYBMUJFWSA-N 448.470 5.094 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 24278612 AEQVHOKQGOWWQF-VWNXMTODSA-N 448.613 5.336 0 40 IKAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2nc(-c3ccccc3)oc2C)cc1 24501228 NIVHFQZNBBCLPH-UHFFFAOYSA-N 425.532 5.379 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 28292656 BDDFEYMEIMOAJB-DEOSSOPVSA-N 446.591 5.490 0 40 IKAB COc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 28380876 WXXUFYQJTKTNSB-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)c2ccccc2)cc1 28942901 DXLOJGUEUZBJPM-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 31267311 AKBRJNHADYSRLI-MRXNPFEDSA-N 430.863 5.253 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cc3cccc(Br)c3o2)c1)c1ccco1 31716737 NPCSVRSOQTZHKE-UHFFFAOYSA-N 425.238 5.293 0 40 IKAB Cn1c(SCc2cccc(Cl)c2)nc2c(sc(=S)n2-c2ccccc2)c1=O 32952553 UPMBLOXMUXQQMR-UHFFFAOYSA-N 431.995 5.461 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)cc3)cc2Cl)cc1Cl 34720515 HZUJZEJYSUHETR-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616046 MVFBICBRZTXIDS-UHFFFAOYSA-N 431.496 5.347 0 40 IKAB Cc1nn2c(ncc3c(=O)n(Cc4ccc(Cl)cc4)ccc32)c1-c1ccc(Cl)cc1 40397595 HQTMTBKVEIGXMV-UHFFFAOYSA-N 435.314 5.375 0 40 IKAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2scc(-c3ccccc3Cl)c12 57293415 CUOCZMSPJDQPCE-INIZCTEOSA-N 427.982 5.704 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1c(F)cc(F)cc1-c1ccccc1 59585338 RZFTXBLSKNUNAQ-UHFFFAOYSA-N 431.364 5.639 0 40 IKAB COc1ccc(Cn2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 67258821 MERKEYAKDOVSMD-UHFFFAOYSA-N 444.600 6.043 0 40 IKAB O=c1[nH]c2cc3c(cc2c(-c2ccc(Cl)cc2)c1COCc1ccccc1)OCCO3 98086848 FJGIXDHKXZSPQY-UHFFFAOYSA-N 433.891 5.337 0 40 IKAB Clc1ccc(-c2cs/c(=N/c3cccnc3)n2CCCn2ccnc2)cc1Cl 102602153 LIJFTMQMIGHAKU-LKUDQCMESA-N 430.364 5.438 0 40 IKAB CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1 102982852 PTERQDZMZXFNGN-XQNSMLJCSA-N 440.499 5.120 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3cccs3)C2=C(O)C1 104166918 WKCIFVHQSMSDHQ-SANMLTNESA-N 442.584 6.783 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1cc2c(cc1Cl)OCO2 215183680 QDOPXDWBTNJFCG-FZSIALSZSA-N 442.707 5.612 0 40 IKAB Cc1cccc(-c2noc(CNC(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)c1 218992554 KWYSCURGWDHAKG-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)cc1 222702855 GQGWKDSHAFUVDE-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@H](C)C(=O)NC(C)(C)C 222708139 PQCJVWUJQRFFSS-OAQYLSRUSA-N 430.592 5.413 0 40 IKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n(-c2ccccc2)c1C 223121339 YAEUCZMUXWIDFL-FTJBHMTQSA-N 444.648 6.103 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 223173136 VYMQBBBPVJOYCW-QFIPXVFZSA-N 435.992 5.565 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 223220487 XNTXNMRDPNYADI-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1 223276589 BXFHHVSPVUREPJ-UHFFFAOYSA-N 446.897 5.080 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cccc(N4CCCC4=O)c3)c2)cc1 223495889 XDNSGJNLOAMNPE-UHFFFAOYSA-N 440.543 5.594 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)ccc1Cl 224178736 UVWWMINQFLQJRR-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C(C)(C)C)cc1 224524075 USFBNRGEBNNMTB-UHFFFAOYSA-N 445.559 6.417 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 225410980 CJSWNRXCSKKOIV-HLILLCKBSA-N 446.616 5.700 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 225580046 AMXBDCYABKGBPV-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225668650 UOYXJSPUUFALEY-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OCC(C)C 225765315 KOHYLWMQNWNXBN-UHFFFAOYSA-N 443.971 6.002 0 40 IKAB COc1cccc(Cc2ccc(C3CCN(Cc4c(C)cc(OC)c(C)c4C)CC3)nc2)c1 257215405 CPZBKTQTCHQPDX-UHFFFAOYSA-N 444.619 5.994 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2c(O)cccc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)OC(C)(C)C)C3 257222007 DRMZIAFKHGVDAN-HWHXTQLESA-N 443.584 5.604 0 40 IKAB CCCCC[C@]1(O)CCN(CC(=O)Nc2ccc(C(C)C)cc2)C[C@@H]1Oc1ccccc1 257260290 LCEPRHUSRANACX-BDYUSTAISA-N 438.612 5.213 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)oc2ccccc12 257315853 VCZZQCZGKDXSIJ-LJQANCHMSA-N 446.497 6.025 0 40 IKAB Cc1ccc(-c2noc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 408637712 NORKTEUVLIASMO-UHFFFAOYSA-N 431.542 5.967 0 40 IKAB Cc1c(Br)ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c1C 408646054 VKROJRNSFHVINP-KRWDZBQOSA-N 437.337 5.211 0 40 IKAB O=C(COC(=O)CCCOc1ccc(Cl)cc1Cl)Nc1cccc2ccccc12 408648795 ZRBADOXRDOVGTC-UHFFFAOYSA-N 432.303 5.488 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2C)c1 408697574 HZCZMIYDAQPTPX-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)cc1 408698033 LHBDGEHHELLYQW-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)cc2C)cc1 408698734 RZJUUSZBEBNSIN-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1C 408726596 CHEGHIWLEYMPOZ-KBJUPQRZSA-N 431.535 5.727 0 40 IKAB CC(=O)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408813389 NVLQKRVFQOLXEK-CWCOAMRFSA-N 435.569 5.666 0 40 IKAB COc1cccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)c1 408971695 PIUQHLLGGFNESG-UHFFFAOYSA-N 441.742 5.146 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 408979283 MAQNCRYKNKTWFJ-OAQYLSRUSA-N 427.529 5.310 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 409092823 ZJZGVWMMSKPUEI-UHFFFAOYSA-N 432.524 5.367 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Cl)c1OCc1ccc(Cl)cc1 409112429 GLWWCMKATAFGJY-ODLFYWEKSA-N 440.326 6.464 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1Cl 849869 WMMZADYELJWNEJ-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c(C)c1 1268753 BZPMJERKPYWWTQ-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccc(C)cc3)cc2c1 1360997 FMXUOXJXPQFFBI-UHFFFAOYSA-N 426.520 5.028 0 40 IKAB Cn1cccc1[C@H]1Nc2ccccc2-c2nnc(SCc3ccc(Cl)cc3)nc2O1 1409662 LDTNQPPHUKXYCP-FQEVSTJZSA-N 435.940 5.326 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1Cl 2050871 YVIFXIGGSHVBOF-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1 2074500 NDDOPVCVLFIFAV-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB CC1(C)Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 2230288 LNWONUOIHDASCY-UHFFFAOYSA-N 426.394 5.724 0 40 IKAB CCCc1cc2c(=O)c(-c3ccc4c(c3)OCO4)c(C(F)(F)F)oc2cc1OC(C)C 2305923 AIUFHLINWHXXOZ-UHFFFAOYSA-N 434.410 5.947 0 40 IKAB CCCCc1nc2sc3c(NCc4ccccc4)nc(SC)nc3c2c2c1CCC2 2424439 XOYTVIPIYQOUAD-UHFFFAOYSA-N 434.634 6.405 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2C)cc1 2427792 CLTRQGHORLRHPM-UHFFFAOYSA-N 428.532 5.630 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)N2C(=O)CCSC2=N1 2486110 UBBLXTZPYAAYHQ-QFIPXVFZSA-N 436.533 5.081 0 40 IKAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 2659293 OGCGBQVQCPJJMZ-LJQANCHMSA-N 445.584 6.447 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cc(C)ccc2C)c(C)c1 2684581 KEKFHGSEGTVGTI-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1 2716465 WZBLLEGLVIGZQA-UHFFFAOYSA-N 448.950 5.173 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3F)nc2c1)c1cccc(Br)c1 3042694 SWDNBMQXFBGQKG-UHFFFAOYSA-N 429.220 5.788 0 40 IKAB CCCCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccccc2)c2ccccc21 3123708 ZNIFAUWONSYYQK-LVXARBLLSA-N 426.560 6.390 0 40 IKAB CCO[P@@](=O)(NC1CC1)SCc1nc(-c2ccc(C3SCCS3)cc2)no1 3135349 UEOFCSFVFAIAJO-DEOSSOPVSA-N 443.556 5.345 0 40 IKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1ccc(Br)s1 3220050 DCZSWFCTTFFVOG-UHFFFAOYSA-N 427.747 5.402 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c2C1 3312638 OWHNDSXGHUCCTM-CQSZACIVSA-N 442.437 5.174 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N(Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 3772531 AFWZILCRDPFVFI-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB CCOc1ccc(CNCC[C@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC 4073143 CJHMCYLLXMOHLY-SVBPBHIXSA-N 425.613 5.655 0 40 IKAB biogenic Cc1ccc(NC(=O)c2cc3ccccc3cc2OCC(=O)c2ccc(Cl)cc2)cc1 8383467 WTBUIVWTMQOMJW-UHFFFAOYSA-N 429.903 6.316 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)cc1 8606586 QBNWDDQITPJKSE-LJQANCHMSA-N 429.495 5.143 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cc(-c2ccccc2)nn1-c1ccccc1 8881552 HRMOCMHWKNAOIX-UHFFFAOYSA-N 436.515 5.028 0 40 IKAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cccc(C)c2)cc1 9307655 LSGRUPSLOZYBGQ-UHFFFAOYSA-N 431.561 5.764 0 40 IKAB O=C(COc1ccc(Cl)c2cccnc12)N1CCC(c2nc3ccccc3s2)CC1 9315351 HWLWRHAVBOIZGE-UHFFFAOYSA-N 437.952 5.283 0 40 IKAB CCN(CC)CCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 9459493 WGOHODZKKIXSIM-UHFFFAOYSA-N 443.686 5.402 0 40 IKAB O=C(Cn1c(NCc2ccccc2)nc2ccccc21)Nc1c(Cl)cccc1Cl 9466391 CNDUWRHLCWECJB-UHFFFAOYSA-N 425.319 5.594 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc2c(c1)CCC2 9789032 LTHIHCXYTQSMSR-HNNXBMFYSA-N 443.576 5.369 0 40 IKAB CC(C)(C)c1ccc(C(=O)n2nc(-c3ccco3)nc2NCc2ccccc2Cl)cc1 9934892 PMDICRBCVZSZKX-UHFFFAOYSA-N 434.927 5.790 0 40 IKAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc5c(s4)CCCC5)C3)cc2n1 12257772 YVJRQELTCVLZIN-HNNXBMFYSA-N 448.514 5.017 0 40 IKAB Cc1c(C(=O)NC2CCCCC2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274509 QRFDOBBISDJFIJ-UHFFFAOYSA-N 435.915 5.100 0 40 IKAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@@H]1C 12660784 JQJAKBIMFWMGBM-RBSFLKMASA-N 428.579 5.123 0 40 IKAB Cc1ccccc1OCC(=O)Nc1cccc2c(Cl)c(C(=O)NC(C)(C)C)sc12 12843650 JAGXNZOJBMNJDD-UHFFFAOYSA-N 430.957 5.409 0 40 IKAB CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(Cc2ccc(Cl)cc2Cl)C1=O 12875265 WMZIAASOGXKRMT-UHFFFAOYSA-N 447.362 5.370 0 40 IKAB Fc1ccc(-c2csc3ncnc(SCCCc4nc(-c5ccncc5)no4)c23)cc1 13008806 IPVRYPGYRWRZBZ-UHFFFAOYSA-N 449.536 5.667 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ccccc23)c1 13109074 RZLLNFGCRWBDPD-UHFFFAOYSA-N 440.528 5.636 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c1 13131906 VCJAQFFVRKQOSD-UHFFFAOYSA-N 436.920 5.721 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 13148803 DLZDLDRUQHDKDJ-UHFFFAOYSA-N 433.291 5.044 0 40 IKAB O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 13512553 SMKNEWPCJXBHSH-REWPJTCUSA-N 433.305 5.202 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)c1 13673009 FPWUITGCXKWTTJ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)N(Cc3ccccc3)c3ccccn3)cs2)cc1 14119372 AELFNHWZMPQNTJ-UHFFFAOYSA-N 429.545 5.201 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 14272632 NIWWIIGIPPNIKR-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14399737 DZJDTRSEQVVEOJ-CYBMUJFWSA-N 443.712 5.276 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14400866 AJFHEQGYAWDXKH-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 15947589 DIEFXTGMTRFZPK-RCDICMHDSA-N 438.980 6.534 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Oc2ccccc2)cc1 16047632 FRIOKZKLTLEQMW-UHFFFAOYSA-N 436.265 5.544 0 40 IKAB Cc1sc(N2CCCCC2)nc1-c1cc(Br)cc(Br)c1O 16265048 AVECHZCBBDVFJJ-UHFFFAOYSA-N 432.181 5.339 0 40 IKAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccccc1Cl 16688644 GGRXHMNSHQDDGJ-UHFFFAOYSA-N 426.782 5.968 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(OC(F)F)cc3)cc2-c2ccc(OC(F)F)cc2)cc1 19635569 PVOZFMCMKVFCNS-UHFFFAOYSA-N 442.412 6.718 0 40 IKAB Cc1ccccc1CN1CCC[C@](O)(c2nc(C)c(CCOc3ccccc3)s2)CC1 19738684 GQVVCNVFICLATI-AREMUKBSSA-N 436.621 5.255 0 40 IKAB Cc1nc([C@@H]2CCCCN2C2CCCCC2)nc2c1CCC(=O)N2CCc1ccccc1 19743110 PUWFKKHSCBOYDX-DEOSSOPVSA-N 432.612 5.167 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2C)cc1 20061689 AIKIBEDVQFBNNG-UHFFFAOYSA-N 428.598 5.155 0 40 IKAB O=C(O)c1cccc2cccc(NS(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)c12 20312599 FHKAHTBVFUHDIC-UHFFFAOYSA-N 430.696 5.299 0 40 IKAB c1ccc(Cn2cc(CNC[C@@H](c3ccco3)N3CCCC3)c(-c3ccccc3)n2)cc1 22914099 BAPLAPOUQXQROP-VWLOTQADSA-N 426.564 5.118 0 40 IKAB CCOc1c(Cl)cc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1OC 23163377 PRMWHULSADGQDO-KPKJPENVSA-N 425.699 5.600 0 40 IKAB Cc1cccc(Cn2nccc2NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 30526834 QDHMVXHTFQCPPI-UHFFFAOYSA-N 429.505 5.065 0 40 IKAB CCS(=O)(=O)c1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc1 32619640 NXQQFFZFHKENOH-UHFFFAOYSA-N 439.320 5.003 0 40 IKAB Cc1noc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1 32902065 QWUHNZZXSYGGFK-QGZVFWFLSA-N 429.545 5.828 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CCc1nc(CSc2nc3ccccc3s2)no1 33270688 USDODVZRZZHDKR-UHFFFAOYSA-N 444.969 5.505 0 40 IKAB COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)no2)c1 33325037 JCKZDOIPRAUDKW-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=c1c2c(ncn1Cc1ccc(F)cc1)c1cc(F)ccc1n2Cc1ccccc1Cl 35400324 ITSQZMSGRQCYMI-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@H](Sc1ccccc1)c1ccccc1 35526423 ZBGFAOCRDSWENG-UTADQONYSA-N 440.605 6.067 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3cc(C)n(C4CCCC4)n3)cc(-c3ccc(C)cc3)nc21 36613197 SHCWRWDXPQTTNM-UHFFFAOYSA-N 442.567 5.607 0 40 IKAB Cc1cccc(Cn2c(C)c(/C=c3\sc4nc5ccccc5n4c3=O)c3cc(C)ccc32)c1 41082760 GLLJBZCPCVZWHW-YSMPRRRNSA-N 449.579 5.385 0 40 IKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1Cl 46078588 FHYCEFGIZDUBEY-UHFFFAOYSA-N 434.923 5.502 0 40 IKAB CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)[C@H](c1ccccc1)c1ccccn1 48275771 HPYHSTZZUHZSQK-GOSISDBHSA-N 430.364 5.246 0 40 IKAB CN(Cc1cccc2ccccc12)C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O 58381087 WOBDGHOCHLBLMH-FQEVSTJZSA-N 444.478 5.320 0 40 IKAB CC(C)c1ccc(-c2cc3c4nn(Cc5ccc(C(C)(C)C)cc5)c(=O)n4ccn3n2)cc1 67260562 FKPCFQDEYZVCIZ-UHFFFAOYSA-N 439.563 5.280 0 40 IKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)n1 72354212 HVDUTGSWTGSAOB-RUZDIDTESA-N 445.651 5.554 0 40 IKAB O=C(Cc1ccccc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359453 ULCLRTQPECOJPU-UHFFFAOYSA-N 425.454 5.111 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)c1 100933970 VCKMBHWNGBOGEH-ZNZIZOMTSA-N 434.495 5.199 0 40 IKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 101379452 CRBOQPHZSWNMCT-BYCLXTJYSA-N 425.557 6.182 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 102681263 SMNNPRYAEDCRGM-HLZOOKHESA-N 447.531 5.964 0 40 IKAB COCCn1c(C)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c1C 106690338 QMJJIZLWJXHPFF-NVMNQCDNSA-N 439.364 5.295 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccc(F)cc2Cl)C1=O 215137442 CMYYWKPIHDPZLS-CAOOACKPSA-N 426.296 5.768 0 40 IKAB O=C1S/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccc(I)cc1 215212888 WUGSDPAUGIQMIV-AQHRCUNFSA-N 447.297 5.084 0 40 IKAB C[C@H]1C[C@H](C)CN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 216839529 RZZCGPHSEQOMKY-GJZGRUSLSA-N 446.332 5.577 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)(C)C)cc1 222779698 GSTYYZGLSSVCEX-NRFANRHFSA-N 430.592 5.413 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223276212 XTDLCFHVWOUURX-JOCHJYFZSA-N 449.422 5.603 0 40 IKAB O=C(NCCCc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 223971780 ONPIJCFGGMIBEZ-UHFFFAOYSA-N 444.556 5.003 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224243158 NUYFAHOYCQQJMX-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc2ccccc12 224300834 JKACHKXGVHKAMT-UHFFFAOYSA-N 433.507 6.833 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 224339906 ZQFXMXYNCUEYSR-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 224393555 FVHFPSBVIBKTJF-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224460840 PYOUIQPCHWDWEH-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224471963 DKKGMCBGGDXKBP-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224519053 NTXYHDJDRXNBCT-QHCPKHFHSA-N 426.626 5.057 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224525382 VFCJKNHFABTEJE-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(C)[nH]3)cc2)cc1 224723031 GOIZKERYDICCTP-LOSJGSFVSA-N 440.572 5.996 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 224803034 AAAZVYBTVLCGGN-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225515233 NTLWUSKDHBIBMP-FQEVSTJZSA-N 444.644 6.523 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 257234361 GTEVURLXOGYNDD-XMMPIXPASA-N 442.603 5.774 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2F)CCOCC1 257240136 HSEKQOCULNDJFQ-OAQYLSRUSA-N 446.566 5.195 0 40 IKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCCCn4ccnc4)CCOCC3)c2)c1 257300062 RSSPXOILOTWMCA-UHFFFAOYSA-N 445.607 5.103 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2Cl)cc1 408547829 NMLYCFDGGRBEPN-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408695418 QMARAHJPBNGGLB-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c(C)c1 408695848 TYHPOOFJPSIDRU-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1C(C)C 408696043 ZCNALRXGWZOMGC-UHFFFAOYSA-N 441.618 6.220 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408699638 VJBVKMALDYBGPE-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(C)cc4)c(OC)c3)C(=O)O2)cc1 409008814 KGWCMJBVGJZWHY-HAHDFKILSA-N 443.499 5.326 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 409112757 CTYULGXXYARYKU-XKZIYDEJSA-N 435.926 6.601 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 409158743 YUQDWZCFVSHUTF-AZUAARDMSA-N 444.645 5.096 0 40 IKAB Cn1c(CNC(=O)N2CCc3sccc3[C@@H]2c2cccs2)nc2cc(Cl)ccc21 548333214 DCUWILJDNRZGKV-HXUWFJFHSA-N 442.997 5.207 0 40 IKAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)C3(c4ccc(F)cc4)CCCC3)n2)c1 2037834667 AWMRHEQOYZDFTL-DEOSSOPVSA-N 445.538 5.467 0 40 IKAB Cc1ccc(C)c(Oc2coc3cc(OCC(=O)Nc4ccccc4F)ccc3c2=O)c1 646737 FUUBKDCPMLKEFU-UHFFFAOYSA-N 433.435 5.359 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c(C)c1 869078 ITOUYERTFOOSIV-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883803 ZERCKNAVKQMNMW-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)n2C)c1 896987 JFKQGWHRNPNFFS-UHFFFAOYSA-N 440.572 5.346 0 40 IKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc(C(F)(F)F)c4)cc3n2)cc1 994225 BRFYZARFHFNMPT-UHFFFAOYSA-N 440.425 5.375 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 1322492 AYVLMYXKNHLAAI-HHHXNRCGSA-N 442.559 5.616 0 40 IKAB biogenic COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)NC1CCCCC1 1371096 PKSYWYOJFDFLMJ-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 1380092 HCPUYLJJGLWRJE-HSZRJFAPSA-N 436.577 5.713 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 1447517 WEDUPTQYQZMWLU-UHFFFAOYSA-N 429.929 5.763 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc3c(=O)n4ccccc4nc3n2Cc2ccccc2)cc1 2347189 IWHBAPVBFGSVDT-UHFFFAOYSA-N 436.515 5.073 0 40 IKAB Cc1cccc(NC(=O)c2c(-c3ccccc3)c3c4n(c(-c5ccccc5)cn24)CCCC3)c1 2380243 TZZMFCBHLHSKGE-UHFFFAOYSA-N 445.566 6.972 0 40 IKAB O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cccc(Br)c1 2411348 SEDYDUQZNGLFRU-LQOCYXTFSA-N 444.328 5.380 0 40 IKAB CCN(CC)CCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 2422415 IQPBVLBFDQSWJP-UHFFFAOYSA-N 431.609 5.539 0 40 IKAB Clc1c(Cl)c(Cl)c2c(oc3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl 2521606 RHIROFAGUQOFLU-UHFFFAOYSA-N 443.755 8.813 0 40 IKAB biogenic,in-vitro COc1ccc(NC(=O)c2ccc(NC(=O)Cc3ccc(Cl)c(Cl)c3)cc2)cc1 2632330 HGIFKXMWBYMIGX-UHFFFAOYSA-N 429.303 5.436 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2715012 QNYQTACKFVKPOQ-UHFFFAOYSA-N 426.907 6.493 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012855 ABBREFQWGCYLPZ-TZMCWYRMSA-N 445.228 5.696 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c(C)c1 3267223 VFNRNLZWDZWWBS-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1sc2ccccc2c1Cl 3273402 GHPPFNMNMQIFAV-UHFFFAOYSA-N 431.941 5.656 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)c3c[nH]c4ccccc34)sc2c1Cl 3307403 WWTVKKUVDJKNIY-UHFFFAOYSA-N 434.300 5.738 0 40 IKAB Cc1c(C(=O)OCC(=O)Nc2ccc(C(C)(C)C)cc2)oc2ccc(Br)cc12 3308880 IOVGNNSRBAPLCQ-UHFFFAOYSA-N 444.325 5.597 0 40 IKAB O=C(c1ccc(C(F)(F)F)cc1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 3327706 LONPFZWXHWFQLL-UHFFFAOYSA-N 442.437 6.947 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N(C)c3ccccc3)n(-c3ccccc3)c(=O)c2c1C 3340896 DZBKIJXQSWLQAE-QGZVFWFLSA-N 449.601 5.208 0 40 IKAB Cc1cc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 6320629 DXTFSJQKMFHLSV-IBGZPJMESA-N 433.621 5.525 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 6409724 BCMNHBHYGVDMTB-HXUWFJFHSA-N 441.600 5.474 0 40 IKAB CCOC(=O)c1cccc(COC(=O)c2c(C)c(-c3ccccc3)nc3ccccc23)c1 8383536 ZBABJJSPKKMIJA-UHFFFAOYSA-N 425.484 5.744 0 40 IKAB Cc1ccc(OCC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 8426246 BSLKWEGBCGVFAR-HHHXNRCGSA-N 433.979 6.549 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5nc(N)sc5C[C@]4(C)[C@@H]3CC[C@@]21C 8616514 LTSUMDUBQDQHJC-FSAZTEAOSA-N 442.757 7.761 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN(C)Cc2ccccc2N2CCCCC2)o1 8720323 FMLXPCGCDIANPU-UHFFFAOYSA-N 443.551 5.322 0 40 IKAB CC(C)Oc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 9041980 NIFJYAHTPLYRHT-WNJJXGMVSA-N 434.539 6.869 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 9076207 QDIIWHWKYDTZPI-REWPJTCUSA-N 437.337 6.408 0 40 IKAB CSCC[C@@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)N1CC=C(c2ccccc2)CC1 9195270 MEEWRXMUNWUKLE-VZYOYLOZSA-N 442.669 5.003 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccnc3)sc2c1 9267150 ZOCUZXZWQZWRLS-OAQYLSRUSA-N 439.496 5.164 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288300 VGTWAKNGFSAGPT-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB Fc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccccc2)cc1 9296415 MNDBNQBOJBNVAC-UHFFFAOYSA-N 435.509 5.477 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(F)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 9308418 FTQXVYXQLLKKEA-SANMLTNESA-N 441.550 5.670 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3ccccn23)cc1 9316555 LRLXQWKJKLRZBF-UHFFFAOYSA-N 427.504 5.020 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Nc3nc(-c4ccccc4)c4cc(C)ccc4n3)cc2)c1 9369250 DWBASPHZJRXAAY-UHFFFAOYSA-N 444.538 6.910 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1cc(C)on1)C3=O 9488121 ILWVPPPPMJIFCC-IBGZPJMESA-N 441.270 5.454 0 40 IKAB O=C(CCCCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9882644 LXIODKFXBOSGND-UHFFFAOYSA-N 445.592 5.633 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CSc1ccccc1F)CC2 9984223 WGGWFZQQOGGDIL-VWLOTQADSA-N 437.536 5.109 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10369619 DDAHRLGPAWMDSJ-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccco2)n2c(nc3ccccc32)N1 12416686 ARCRHHXTPANIHE-FQEVSTJZSA-N 438.409 5.576 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)O[C@H](c1ccccc1)c1ccc(Cl)cc1 12533140 HPOBTHBBVCMMJU-OAQYLSRUSA-N 444.840 6.041 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1Cc1ccccc1 12566549 ZTUMILLSDHAZNX-UHFFFAOYSA-N 432.549 6.035 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1cccc(Cl)c1Cl 12676984 ZXYIVRJYXGORIR-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CN4CCC[C@H](C)C4)cs3)c12 12770954 RCEJYUMOKSTNNI-HNNXBMFYSA-N 447.564 5.139 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1 13025907 ZSNCQBHQHOMXAR-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB C[C@@H](OC(=O)/C=C/c1cccc(Cl)c1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 13072461 VMAKWNUPHIGSDL-FZKGZDJFSA-N 448.878 5.325 0 40 IKAB C[C@@H](Oc1ccc(F)cc1Br)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13120467 HPQBCWNXIPQJFN-LLVKDONJSA-N 445.313 5.693 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2ccc(C)cc2s1 13147740 ISELUZBXTVBONF-UHFFFAOYSA-N 440.528 5.718 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 13804965 PXVSBCZDZIZGGL-VWLOTQADSA-N 441.568 5.422 0 40 IKAB C[C@@H](Nc1nc(CN2CCOCC2)nc2scc(-c3cccs3)c12)c1ccco1 14123340 AGLJKCHLSWVRAZ-CQSZACIVSA-N 426.567 5.018 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 14270529 GNNZOCMTPHQSJY-UHFFFAOYSA-N 444.560 5.392 0 40 IKAB O=C1CC[C@]2(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)Sc3ccccc3N12 14801964 HVTLYSHZNVBTIO-XMMPIXPASA-N 427.485 5.062 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 15413232 SJRBNLKNBWXZME-HHHXNRCGSA-N 442.559 5.638 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 17099259 LZUYJEWWGOIPJW-INIZCTEOSA-N 434.923 6.679 0 40 IKAB CC(C)(C)C(=O)[C@@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 18173346 WQYMXSDLXWSBIZ-MRXNPFEDSA-N 447.375 5.726 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 19630067 DXNRTVSSUYNGSP-UHFFFAOYSA-N 439.540 6.347 0 40 IKAB COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694613 YZOHMKRTLIUAJM-JOCHJYFZSA-N 448.542 5.033 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(C(=O)O)c(Cl)c1 20151078 NLPIIFBSFBVNRH-RMKNXTFCSA-N 435.785 5.969 0 40 IKAB COc1ccc(CSc2nnc(S[C@H](C)C(=O)c3cc(C)ccc3C)s2)cc1 22063175 SELIGMUKWPBRMI-OAHLLOKOSA-N 430.620 5.819 0 40 IKAB O=C(O)c1cc(/C=C/c2ccc(Br)cc2)nc2ccc(Br)cc12 22142213 LJNOVKATCBQWMS-XVNBXDOJSA-N 433.099 5.628 0 40 IKAB CN(Cc1ccc(Br)cc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 22756444 CLHJQPMRKZEAMB-UHFFFAOYSA-N 440.366 5.046 0 40 IKAB CC1CCN([C@H](c2cccc(Cl)c2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851898 VQWOSOAJBOVCDV-QGZVFWFLSA-N 428.945 5.231 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)CCN2c3ccccc3Sc3ccccc32)c1 25390022 YKSPDKHSZAVKLN-UHFFFAOYSA-N 445.588 5.393 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1Cl 26124407 KRUMENDZQJUXSR-UHFFFAOYSA-N 441.318 5.687 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2cc1C 28288962 DGTUAZADGIWDHV-NRFANRHFSA-N 438.955 5.020 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccccc1F 32126537 IWFVOVJDGQCWQZ-UHFFFAOYSA-N 441.487 5.914 0 40 IKAB CCCOc1c(I)cc(C(=O)Nc2ccc(C)cc2)cc1OCC 33386463 CKOKHZIXRNQKGN-UHFFFAOYSA-N 439.293 5.039 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccn(Cc4ccccc4F)n3)cc(C3CC3)nc21 36616846 KBVKCEUJDRQDIQ-UHFFFAOYSA-N 446.530 5.053 0 40 IKAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 38753410 NZGBBLVAWNMDIC-KRWDZBQOSA-N 435.951 6.275 0 40 IKAB Cc1cc2nc(Sc3nnc(-c4ccncc4)n3Cc3ccccc3)c3ccccc3n2n1 40071545 MAWOECIMECAYSW-UHFFFAOYSA-N 449.543 5.044 0 40 IKAB CCOC(=O)C[C@@H](c1ccc(F)cc1)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 40086078 UNTCFCUJSAMAJD-JXFKEZNVSA-N 431.552 5.016 0 40 IKAB CSc1nnc(CCCNC(=O)/C=C/c2ccc(Cl)c(Cl)c2)n1C1CCCC1 48249541 FAONCNOGHTVCDC-PKNBQFBNSA-N 439.412 5.184 0 40 IKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NC1CCCCCCCCCCC1 49603424 HVULCZCPAFFWBG-UHFFFAOYSA-N 431.020 7.459 0 40 IKAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc(OCc2nc(C3CC3)cs2)cc1 56907752 RXSULKHWHCGMGP-UHFFFAOYSA-N 434.546 5.370 0 40 IKAB C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl 57315267 MOQHVSUZGPMNEC-HNNXBMFYSA-N 425.891 5.021 0 40 IKAB CC(C)Cn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nnc1-c1ccccc1F 58444253 DCYLRCTZCLYHHE-UHFFFAOYSA-N 443.935 5.736 0 40 IKAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1cccc(C(F)(F)F)c1 67290049 GZJUPGRGTKGDKR-UHFFFAOYSA-N 434.468 5.207 0 40 IKAB CCSc1nnc(-c2nc(-c3ccccc3)oc2N2CCCCC2)n1-c1ccccc1 71195125 GOTCURBETOIOID-UHFFFAOYSA-N 431.565 5.692 0 40 IKAB O=C(NCCc1cccc(F)c1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344430 KLLSHFJQFNZDFE-RUZDIDTESA-N 448.582 5.370 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)c2)c(C)c1 102142137 ZOMACASNERZBEN-NLFFAJNJSA-N 440.609 5.145 0 40 IKAB COc1ccc([C@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1OC 104131672 HRULZSQFVHKDPZ-JOCHJYFZSA-N 446.507 5.441 0 40 IKAB COC(=O)c1cn(C(=O)COc2ccc3ccccc3c2Br)c2ccccc12 222610974 IACNBCKRTCLGCY-UHFFFAOYSA-N 438.277 5.063 0 40 IKAB C[C@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CCc1ccccc1 222765546 ZBNIDVLTVZRUQQ-HXUWFJFHSA-N 434.967 5.006 0 40 IKAB O=C(NCc1ccc2ccccc2c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 222804095 XJYIYXPWUXRISM-UHFFFAOYSA-N 448.610 6.225 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 222884540 ODZCKJAUEDCXFY-HHHXNRCGSA-N 442.603 5.340 0 40 IKAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 223116425 GLYNMXNWZKEDIO-UHFFFAOYSA-N 434.311 5.051 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)ccc1C 223181772 MLXJDUJNCRSNKO-IBGZPJMESA-N 448.588 5.084 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223631962 TWXQHGIURFKLMP-WOJBJXKFSA-N 448.375 5.003 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223746193 UVWLXMUTGCQWMI-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224177286 QLAIPRYHAFAXMH-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cc(C)cc(C)c1C 224279496 BSJNSZGPGVKYNS-UHFFFAOYSA-N 433.504 5.223 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 224518360 PZIKGOOBYYGSFC-JOCHJYFZSA-N 447.044 5.153 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225212752 AONIFXGFHFYSOB-VWLOTQADSA-N 438.587 5.241 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225220647 IODQBQDZOVVUDM-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225491764 BUVMKDAZYICYHC-KKSFZXQISA-N 435.395 5.258 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2F)cc1 225499702 VQDNJPLENUFCKH-GOSISDBHSA-N 425.367 5.671 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778279 LKEMUSLMAQPZCY-SFHVURJKSA-N 437.967 6.357 0 40 IKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 225908087 ZEVNGPVGDXOFLX-WMLDXEAASA-N 425.787 5.736 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Br)c1)C[C@]2(C)NC(=O)C1CCCC1 257200904 AFHMURQINWUAON-VUUZQCJOSA-N 434.418 5.780 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccc(C)n2)CC1 257298265 RKYTVVMERNCTPQ-UHFFFAOYSA-N 445.582 5.157 0 40 IKAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)on1 257301995 SAXNUWMXXWXYEU-SAABIXHNSA-N 445.523 5.100 0 40 IKAB CCCOc1c(Cl)cc(CNc2ccc(Br)c(Cl)c2)cc1OCC 408559541 VTLDTQVHLQABDO-UHFFFAOYSA-N 433.173 6.556 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408694880 MWRIBFMQVZJXMS-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccccc1Cl 409062626 XXFLQTFQKXWYFW-WQRHYEAKSA-N 449.837 6.860 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 409111142 BVGRKIGNPLSRFM-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409117136 WOQCKLODKCBFAC-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 409251305 PAVJROLTUCMNHB-DEDYPNTBSA-N 431.941 5.764 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)C12CC3CC(CC(C3)C1)C2 409254867 JJESIJMDHREELE-UHFFFAOYSA-N 430.504 5.133 0 40 IKAB Clc1ccc(Cn2cc(-c3nc4ccccc4s3)c(-c3ccccc3)n2)c(Cl)c1 409264239 OAGPHTCHXSFSFG-UHFFFAOYSA-N 436.367 7.182 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCCC[C@@H]4c4cccnc4)c(C)c3cc12 526052334 GUMJHDWJZPTPIB-JOCHJYFZSA-N 430.504 5.156 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CCC(c4noc5cc(F)ccc45)CC3)c2C)cc1 585294042 IYOZFLBYIXFRKS-UHFFFAOYSA-N 444.506 5.971 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)C3CCCCCC3)CC2)C1 643570400 CWDRRQWXOPIDAG-UHFFFAOYSA-N 426.645 5.303 0 40 IKAB O=C1[C@@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 729579 XZBPLKWEYPOIEE-SFTDATJTSA-N 428.271 5.258 0 40 IKAB Cc1sc2ncnc(SCC(=O)N3c4ccccc4Sc4ccccc43)c2c1C 886420 YDFULCFPDVZQAV-UHFFFAOYSA-N 435.599 6.230 0 40 IKAB Cc1ccc(N(C(=O)COc2c(C)cccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 1085250 BXNUTNJLQLUPBO-UHFFFAOYSA-N 443.952 5.066 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cccs1 1333478 KXCITJKDCVRPMN-JOCHJYFZSA-N 440.540 5.313 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4cccs4)c23)C1 1377348 YJWOXFFQNASTRT-LBPRGKRZSA-N 429.636 5.164 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 2084618 IYLUZBNVKYQCCQ-OAQYLSRUSA-N 438.553 5.341 0 40 IKAB COc1ccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c2[nH]c2ccccc23)cc1 2130710 KZVSNMPPKHTGNY-UHFFFAOYSA-N 439.490 5.503 0 40 IKAB biogenic Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nnc2-c2ccccc2)cc1 2626333 PWUFPQRLYXIQFN-UHFFFAOYSA-N 425.517 5.585 0 40 IKAB Cc1c(-c2nn(-c3ccccc3)c(=O)c3ccccc23)oc2c(Cl)cc(Cl)cc2c1=O 2635385 BWEUTTBOEMXZKF-UHFFFAOYSA-N 449.293 5.774 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cc(Cl)cc(Cl)c3)n2)cc1 2733577 DMVWTAFXVIXWIJ-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCO[P@@](=O)(NC(C)C)SCc1nc(-c2ccc(C3SCCS3)cc2)no1 3135348 NTLASTSVFHAITA-DEOSSOPVSA-N 445.572 5.591 0 40 IKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1nc2ccc(Br)cc2s1 3287900 HTAVDWIZJMAKER-FPYGCLRLSA-N 425.254 5.312 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)c1 3288961 LGMGZAFHJGILIM-QFIPXVFZSA-N 445.613 6.269 0 40 IKAB Cc1sc2nc(SCC(=O)c3cc(F)ccc3F)n(C3CCCC3)c(=O)c2c1C 3446162 VEDDDCDSPXENID-UHFFFAOYSA-N 434.533 5.443 0 40 IKAB CCSc1nnc2c3c(nc(SCc4ccccc4)n12)-c1ccccc1CC3(C)C 3766988 CVZOXHLWTAITMT-UHFFFAOYSA-N 432.618 6.029 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 4174572 KJORDJNCXCUSDH-PWAGRJGVSA-N 433.548 5.722 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 6023355 NPEUXSMVPWBZJU-GOSISDBHSA-N 439.621 6.682 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)c1ccc(C)c(C)c1 8442421 DCFOVYZGPBTUDA-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 8903747 XZTBEKCJAGMPIQ-UHFFFAOYSA-N 432.929 5.311 0 40 IKAB O=C(c1ccc(Br)o1)N(Cc1nc(-c2ccccc2)no1)C1CCCCC1 9031575 PIEHSBZWIZKMAE-UHFFFAOYSA-N 430.302 5.067 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2ccc(OC)c(OC)c2)cc1 9066322 GTBSEXAUYMTDSM-RQZHXJHFSA-N 446.572 5.718 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 9336832 KSSAANOUXAHASG-RUZDIDTESA-N 447.629 5.719 0 40 IKAB CC(=O)c1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@@H]2c2ccco2)c1 9469946 UXJHZQCVIJNFAP-OAQYLSRUSA-N 427.460 5.018 0 40 IKAB COc1cccc(C(=O)N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)c1 9495153 JQCQOPSIUBRWOW-IBGZPJMESA-N 425.282 5.042 0 40 IKAB CCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607086 DGQCQLDNZYOJDA-UHFFFAOYSA-N 449.620 7.315 0 40 IKAB CC(C)c1nnc(SCC(=O)NC2c3ccccc3-c3ccccc32)n1Cc1ccco1 10935215 VBFBHEHRLAAKJI-UHFFFAOYSA-N 444.560 5.021 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1C1=NO[C@@H](c2ccccc2Cl)C1 11847441 OFUKKSPZMKXLAN-OAQYLSRUSA-N 435.310 6.368 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@@H](C)[C@H]2c2ccccc2)cc1 12338509 OATUGQVRSFARFU-WDJPJFJCSA-N 440.609 5.172 0 40 IKAB Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 12578504 XYWXUYUIGLIPPQ-KRWDZBQOSA-N 448.748 5.030 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)Nc2ccccc2)cs1 12753651 MTKJESFFQIMJCM-ZHACJKMWSA-N 431.439 5.498 0 40 IKAB CC(C)c1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 12800061 PDMGXMGMOQHPPP-UHFFFAOYSA-N 447.526 6.023 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccnc4Cl)cc3n2)cc1 12857467 GVNYMYYXKZXWFD-UHFFFAOYSA-N 440.334 5.717 0 40 IKAB Cc1cccc(-c2nnc(S)n2CCC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)c1 12871936 RNIOYLWECOGFDE-ZDUSSCGKSA-N 435.380 5.117 0 40 IKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)cc1 13005704 QOEQDCHEFQHPPX-UHFFFAOYSA-N 448.420 5.267 0 40 IKAB CN(Cc1ccc(Cl)cc1)[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1 13068811 TURVVGRYOJHXBG-NRFANRHFSA-N 432.873 6.171 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccccc2C(C)C)cc1 13811518 HWVLIAOUZFWRSX-UHFFFAOYSA-N 442.559 6.055 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(F)cc1 13895831 JQPUJZFNGZOUKB-UHFFFAOYSA-N 429.963 5.981 0 40 IKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccccc1 14009181 CUVILVOAEBKWTM-PDGQHHTCSA-N 426.950 5.646 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 14272538 RCCFBAUEQMCUIE-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CCCc1cc(=O)oc2c(C(=O)[C@@H](C)CC)c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c12 14718751 HTVCZGDEKPMUHH-KJCUYJGMSA-N 440.580 6.621 0 40 IKAB biogenic,in-vitro C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 15947475 WDINJFCEZYIXJT-APBUJDDRSA-N 433.360 6.869 0 40 IKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 16162023 YFKCICJHCQIOPE-GOSISDBHSA-N 428.532 6.588 0 40 IKAB COc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccccc1Cl 16195788 NYQUYORPRGHYPE-UHFFFAOYSA-N 447.760 5.375 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)cc4C)cc3)nc2c1 16610644 YRLBDFGBBOMNRL-GOSISDBHSA-N 428.532 6.643 0 40 IKAB CCc1ccc(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 16768953 HTWJOUJWLLGVDP-UHFFFAOYSA-N 438.336 5.292 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSc1ncn[nH]1 17824193 UJRULAJRVQBIQM-QFIPXVFZSA-N 426.973 5.072 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)C(Cl)(Cl)Cl)cc3n2)cc1 19644191 PSIYWTBNXSKAMH-UHFFFAOYSA-N 446.165 5.725 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cc(Br)ccc1Cl 20138486 LBXOPYXZAIPCHT-UHFFFAOYSA-N 441.108 5.761 0 40 IKAB COc1ccc(CNCC(O)(c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1OC 20365353 QKSGRSQVRBFFEB-UHFFFAOYSA-N 432.347 5.036 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20459258 XUKMXTGFHJPUSW-JOCHJYFZSA-N 425.981 6.737 0 40 IKAB CN1CCc2c(sc3nc(SCc4ccccc4)nc(SCc4ccccc4)c23)C1 20813378 CXRKIFSIOUEEDX-UHFFFAOYSA-N 449.670 6.264 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1OC 20899481 QNHJUKRXAAZLSN-OAQYLSRUSA-N 448.950 5.791 0 40 IKAB Cc1ccc2nc(COc3ccccc3NC(=O)Nc3ccc(C)c(Cl)c3)cc(=O)n2c1 21156940 ILMWMXBYDYJIJW-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(F)c4)c3)oc2cc1C 21578933 DZIPPBXJBFAKSG-UHFFFAOYSA-N 433.508 5.686 0 40 IKAB CCn1c(SCc2nc(-c3ccc(OC(C)C)cc3)oc2C)nc2ccccc2c1=O 23119033 WJCLKJIOJDXBDM-UHFFFAOYSA-N 435.549 5.459 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 25052914 BXHYJWUWQCAHMD-MSOLQXFVSA-N 430.495 6.024 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1Cl 30854099 FEKHOBULVJXWNR-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(COc5ccccc5)cc4)ccc3o2)cc1C 32116783 LMBFJVRUCGTBJA-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB Cc1sc(NC(=O)Cn2ccc3cc(Br)ccc32)nc1-c1ccccc1 32124660 BBELATNNLFCKOM-UHFFFAOYSA-N 426.339 5.474 0 40 IKAB C(=C(/c1nc2ccccc2[nH]1)c1nc2ccccc2s1)\c1ccc(-c2ccccc2)cc1 33759097 CBYKKTWYTPDBDG-PYCFMQQDSA-N 429.548 7.429 0 40 IKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl 35569250 IBNCSKDJHIAUMN-NQIIRXRSSA-N 433.379 5.295 0 40 IKAB Cc1ncc(NC(=O)c2ccc(Cl)cc2Cl)n1-c1nc(-c2cccs2)cs1 35682748 FKHLIVDOEVLQQJ-UHFFFAOYSA-N 435.361 5.925 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 36397607 SWVBYUFPIITSDP-MRXNPFEDSA-N 429.495 5.288 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1 38600791 PYKKANJFGGQIGF-UHFFFAOYSA-N 429.472 5.049 0 40 IKAB aggregator CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCC1 38752928 JAONOXCOKMHYSD-HSZRJFAPSA-N 428.985 5.129 0 40 IKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(F)cc1Br 49005603 MAYQWFIKEZMVKI-UHFFFAOYSA-N 431.309 5.065 0 40 IKAB CSc1nc2ccc3nc(Nc4nc5c(C)ccc(Cl)c5s4)sc3c2s1 62007440 GPHRQMAUBJKFMF-UHFFFAOYSA-N 435.024 6.943 0 40 IKAB Cc1ccc2nc(CSCC(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)cn2c1 95458541 WBILFQRJPNJPNY-UHFFFAOYSA-N 430.744 5.180 0 40 IKAB Cc1cc2c(cc1C)N[C@H](c1ccc(Br)cc1)C1=C(O)CC(C)(C)CC1=N2 101073214 KXTRRAANNZFXSC-JOCHJYFZSA-N 425.370 6.937 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2)c1 218976312 UWEANLCLZXSKJT-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB COc1ccc2cccc(CCNC(=O)NCCc3cccc4ccc(OC)cc34)c2c1 219016406 XXLOKCBHVVICPZ-UHFFFAOYSA-N 428.532 5.095 0 40 IKAB in-vitro Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 222546799 OFTQIVIVGLLPKF-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)N[C@H](C)CC)cc1 223072534 WOPDGMJGVCCCNI-RTBURBONSA-N 429.004 5.167 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223123236 WLTJSJCHMODSSB-RUZDIDTESA-N 448.994 5.315 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1c(C)cc(C)cc1C 223639551 HBIOAHYMVKIWAX-UHFFFAOYSA-N 431.941 5.867 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(SC)cc1 223649832 QJRVIBJALKMFKR-UHFFFAOYSA-N 435.954 5.664 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 223806509 KKNMIOUVMZDQOU-HSZRJFAPSA-N 445.003 5.223 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223819365 CYDHEIKESSAAPZ-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223976774 BZKHNKUZJCGHHE-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(C(C)(C)C)cc2)cc1NS(=O)(=O)c1ccccc1 224099126 NOLNTSMSOBRQRQ-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224408117 AXPITLWRUIRQRQ-SFHVURJKSA-N 449.422 5.424 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 224703700 ASGOILYFLSEMBB-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OC 225767988 PFUGRVRQROMGSX-UHFFFAOYSA-N 439.552 5.501 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225877021 MBHCGNUIPMVSMI-UHFFFAOYSA-N 438.955 5.610 0 40 IKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2Br)c1 228952048 KPSMAHRKBBOOMX-UHFFFAOYSA-N 442.151 5.988 0 40 IKAB O=C(Cc1ccc(F)cc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 257202259 ALBVZWYUADRVAJ-KESTWPANSA-N 444.510 5.057 0 40 IKAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCC3CCCC3)CCOCC2)c1 257241796 HZPOQEVSPKYREM-UHFFFAOYSA-N 439.571 5.537 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)o2)c1 257244471 ILLQHUCCXCEMQN-XMMPIXPASA-N 429.520 5.431 0 40 IKAB CCOc1ccc(NCc2cc(Br)cc(Br)c2OCC)cc1 315397108 FYNBJPNDNKWPJU-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB O=C(Nc1ccccc1I)c1ccc(-c2ccc(F)c(Cl)c2)o1 408622499 QSLYFJAVNHPHPM-UHFFFAOYSA-N 441.627 5.596 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccc(Br)cc3Br)oc12 408706748 DBRGXJRJXIFYSF-UHFFFAOYSA-N 425.076 5.219 0 40 IKAB O=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408734777 DRHWEDYPCRQFIF-UHFFFAOYSA-N 430.511 6.286 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccc(Cl)cc1 409017744 VSESTHYLMQBVTQ-NWGMWSOJSA-N 445.968 6.153 0 40 IKAB CCCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br 409119439 PQDSZUXIWCELSC-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)cc1 409170685 WIXRJIRPBAFOLJ-STZFKDTASA-N 438.549 5.157 0 40 IKAB O=S(=O)(Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1)c1cc(Cl)ccc1Cl 409177994 FSCHPCGVNAAIRA-UHFFFAOYSA-N 436.404 6.334 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(COc2ccc(Cl)cc2Cl)o1 409206125 HRWLTSBMDRHYBV-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB Cc1ccccc1NCc1ccc(OCC(=O)Nc2ccccc2)c(Br)c1 409251467 QJBJEHKRDNMDNQ-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCC(=O)Nc1ccc(C)c(Cl)c1 409273528 YVDBWLGQHVKNLA-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C 409358379 FKXDBCDMRFSHCX-UHFFFAOYSA-N 426.611 5.079 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409411844 MAUFXVBCKZUXLH-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CC(=O)O)CC4CCCCC4)ccc3O2)cc1 585266486 DDYWKZCKVNPTDT-NDEPHWFRSA-N 449.591 5.292 0 40 IKAB C[C@H]1Oc2ccccc2CCCCC2(CCN(CCCc3ccccc3)CC2)CNC1=O 643563789 VSTMMUUBFZTFTL-HSZRJFAPSA-N 434.624 5.012 0 40 IKAB C[C@@H]1O[C@@H]2c3cc(-c4cccc(C(=O)O)c4)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1 2037873653 KTSPQTFTTHCZTJ-HEIHPFCESA-N 428.528 6.473 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1Cl 677418 ZODJKXCVMWKMGV-UHFFFAOYSA-N 431.710 5.941 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1cccs1)C(=O)Cc1cccs1 1336118 XRZPSVYTPPMDNH-JOCHJYFZSA-N 442.606 5.164 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cccs3)cc12 1366486 JMPUSFJEJBNUCO-UHFFFAOYSA-N 436.964 5.702 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732276 AFZUEPRXYHCXRD-UHFFFAOYSA-N 448.944 6.900 0 40 IKAB in-vitro CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1 1777777 MLDTVPBLXXGSJV-UHFFFAOYSA-N 446.934 6.696 0 40 IKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 1797212 OSZXQRCMQMAGHU-LCUIJRPUSA-N 430.598 7.045 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 1804628 MXSALCSRMZLYBO-MRXNPFEDSA-N 426.700 5.168 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)c1 2030555 RXYUGYYRVYJRAU-UHFFFAOYSA-N 428.713 5.894 0 40 IKAB Cc1ccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4ccc(C)cc4C)cc3)cc2)c(C)c1 2069594 CWJIZBRXQZLQCN-UHFFFAOYSA-N 448.566 7.092 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2c1 2074062 JTGYBAYJRLWTQX-UHFFFAOYSA-N 449.963 6.080 0 40 IKAB CCCCOC(=O)c1cc2ccccc2cc1NC(=O)COc1ccc(Cl)cc1Cl 2254628 OUJLSGDECQBHKH-UHFFFAOYSA-N 446.330 6.121 0 40 IKAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 2390787 LFJBJNCPKYFKCX-HOTGVXAUSA-N 447.025 5.797 0 40 IKAB CC(C)OCCCn1c(-c2ccc(Br)cc2)nc2nc3ccccc3nc21 2436379 DPWLNJHMWOTSOC-UHFFFAOYSA-N 425.330 5.224 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4F)cc2-3)cc1 2691317 YAMWDMMDJAQNLW-UHFFFAOYSA-N 443.478 5.416 0 40 IKAB CCCCOc1ccc(C(=O)Nc2scc(-c3ccc(C)cc3)c2C(=O)OCC)cc1 2750839 MWHGTJZHVHTINR-UHFFFAOYSA-N 437.561 6.331 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1c(Cl)cccc1Cl 3234756 VIROFZJTZUXHMO-UHFFFAOYSA-N 429.303 5.216 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)OCc1nnc(-c2ccc(Br)cc2)o1 3272551 XATVIELNZZKSPT-UHFFFAOYSA-N 442.096 5.092 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC(=O)NCc1ccccc1 3337270 YPYCDLOBZACGCC-UHFFFAOYSA-N 443.528 5.127 0 40 IKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccc1Cl 3356120 JRRKSIFGJYPALS-UHFFFAOYSA-N 445.346 6.183 0 40 IKAB Cc1ccc(-n2nc(C)c3c(C(=O)NC4CCCCC4)cc(-c4cccs4)nc32)c(C)c1 3357990 CVFNXOUCXBAJGR-UHFFFAOYSA-N 444.604 6.137 0 40 IKAB CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2ccc(Cl)cc12 6382043 AHXYZXWIZPCASK-QGZVFWFLSA-N 426.992 5.881 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(Br)cc1)c1nc(-c2ccccc2)cs1 6878644 WFHHNSAMVVWVMD-UHFFFAOYSA-N 444.398 5.171 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc2c1 8196654 LWXBXNYFFARBAF-GOSISDBHSA-N 426.560 7.558 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C(=O)O2)cc1 8432044 CPYJYQJQUKLJPB-JLPGSUDCSA-N 429.491 6.047 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 8723757 QCOYEFHRTQIEQT-HXUWFJFHSA-N 435.505 5.509 0 40 IKAB O=C(c1ccccc1)[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1ccccc1 8750911 DNLGEAHCXNYORJ-HSZRJFAPSA-N 431.586 5.982 0 40 IKAB C[C@@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc23)C1 8765741 BSZQPAYTTZRKDN-CQSZACIVSA-N 425.937 6.165 0 40 IKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)cc3Cl)s2)cc1 8768729 IWKWMBQAEYYUPP-UHFFFAOYSA-N 436.364 5.974 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1OC 8934846 UNSJKBXHWYARIG-UHFFFAOYSA-N 447.516 5.211 0 40 IKAB Cc1c([C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)[nH]c2ccccc12 9113249 JBCXHZNYTVYPHZ-XMMPIXPASA-N 447.332 5.022 0 40 IKAB Cc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(Br)cc3s2)cc1C 9151892 LZXXMJFCKYZGHD-UHFFFAOYSA-N 446.414 5.274 0 40 IKAB c1ccc(-c2ccc(C3=Nn4c(nnc4-c4cc(-c5ccccc5)[nH]n4)SC3)cc2)cc1 9291830 TZFAMUNSQMIJJV-UHFFFAOYSA-N 434.528 5.360 0 40 IKAB Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc2c1 9402439 YGRPCGSKTJOXTJ-UHFFFAOYSA-N 437.568 6.237 0 40 IKAB Cc1ccc(-c2nsc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)n2)cc1 9404017 USDCAYROCXMMHO-UHFFFAOYSA-N 425.457 5.143 0 40 IKAB COc1ccc(CCC(=O)Nc2nc(-c3c(C)n(C)c4ccc(OC)cc34)cs2)cc1 9423298 DKAQBPLBICPEOF-UHFFFAOYSA-N 435.549 5.199 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccccc1CSc1nnc(-c2ccccc2)o1 9561790 GPPQQNRRQHUTCR-UHFFFAOYSA-N 435.936 5.612 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 9562090 PRSCPDAHSIKDOF-CYBMUJFWSA-N 436.027 5.453 0 40 IKAB C[C@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 9578399 NOXTTYUUUAYSDK-FQEVSTJZSA-N 436.511 6.012 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)cc1 9594482 KVKSNLPXLDAVAF-UHFFFAOYSA-N 435.553 5.155 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2ccccc2)cc1Cl 9599383 XQYHDKZATVFSEC-UHFFFAOYSA-N 427.957 5.192 0 40 IKAB Fc1ccc(-c2csc3ncnc(Sc4nnc(NC[C@H]5CCCO5)s4)c23)cc1 9619884 PYXCISUXSUOOGW-CYBMUJFWSA-N 445.570 5.091 0 40 IKAB CCOc1cc(/C=C(\CC(=O)O)c2nc3ccccc3o2)cc(Br)c1OC 9672014 SNJNEHYXFHQZOT-MDWZMJQESA-N 432.270 5.013 0 40 IKAB COc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 10060179 QPBADGMFHNMSAE-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)[C@@H](C)Oc3ccccc3)n2)cc1 12442171 CYJHVYWCPDZEMW-QGZVFWFLSA-N 448.548 5.109 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)cc1OCc1ccccn1 12523271 QIMQNDOROBUIEQ-OAHLLOKOSA-N 430.426 5.179 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)c1 13100497 RUPZSTCFSRLFMD-AREMUKBSSA-N 439.559 6.004 0 40 IKAB Cc1ccc(-c2nnc(OCCOc3ccc(Br)cc3)c3ccccc23)cc1 13121307 OPCBRAYSYAOKLT-UHFFFAOYSA-N 435.321 5.826 0 40 IKAB COc1cc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc(OC)c1O 13711994 ATVMJFSOPSSRLZ-UHFFFAOYSA-N 441.314 6.440 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccc(COCC(F)(F)F)cc3)o2)cc1 14801303 BIIQDWTXFDTMAR-UHFFFAOYSA-N 431.410 5.158 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3c2C)cc1 15390604 HBOIOKZICDICHR-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cc(OC)ccc4OC)oc3c2)cc1 15729401 QVGRDPWTPIOVSZ-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4ccc(Cl)cc4)oc3C)c2C)cc1 16841255 NWLRTNFTUKPJKQ-UHFFFAOYSA-N 436.899 5.112 0 40 IKAB CCCCCC[C@H](C/C=C\CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O 16891756 GXLLXKLCZRBGPM-RQZISMIDSA-N 440.621 6.060 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 17096956 USBBEZZHCUOMFD-INIZCTEOSA-N 430.504 6.278 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 17097578 QEGBEVMZMYTPML-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1cc(Cl)c(Cl)cc1Cl 19937627 DNEGJZBKQMDUCT-UHFFFAOYSA-N 443.117 5.232 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(Cl)cc2C)cc1 22277451 IHLISJZKCHPUQN-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@H]2c2cccs2)cc1 22966431 OPDZZPYVVMCCRZ-GCJKJVERSA-N 440.952 5.333 0 40 IKAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 24676479 YOIIKNPXJVNOHU-UHFFFAOYSA-N 432.254 6.091 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C(C)C)s3)[C@H]2c2cccs2)cc1 25323888 ZTZRDJVYJOUDGD-APWZRJJASA-N 440.594 5.154 0 40 IKAB O=P1(NCCCN2CCOCC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 25326074 FZZLDJBOYXNMLE-UHFFFAOYSA-N 426.522 5.320 0 40 IKAB CC(C)CCC[C@H](C)CCOc1cc(C=O)c(OCC[C@@H](C)CCCC(C)C)cc1C=O 25758114 JMACLBZCZVVLDQ-ZEQRLZLVSA-N 446.672 7.774 0 40 IKAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1cccc(Cl)c1 28284447 LSYQLOHVCSMVPW-UHFFFAOYSA-N 443.952 5.798 0 40 IKAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H]3CCSc4ccc(Cl)cc43)c2C)cs1 29380977 ADBDILSRQPDSNI-GOSISDBHSA-N 432.014 5.544 0 40 IKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cnn(-c3ccccc3)c2C2CC2)n1 30575248 SRYLQAVFYRBURP-UHFFFAOYSA-N 439.544 5.915 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1Cl 32106641 OIZDQKMXECVEMS-HNNXBMFYSA-N 431.279 5.037 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 33569129 QPYIJOXHZNDIIG-QAPCUYQASA-N 446.305 6.333 0 40 IKAB S=C(c1ccc(OCc2ccc3ccccc3c2)c(Br)c1)N1CCCC1 33692489 GLMQPENKIJDTIB-UHFFFAOYSA-N 426.379 5.953 0 40 IKAB CCOc1ccc(CCn2c(CC34CC5CC(CC(C5)C3)C4)n[nH]c2=S)cc1OCC 33797169 VPPYNDCFJLBWHZ-UHFFFAOYSA-N 441.641 5.740 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Cl)cc1Cl 35214218 ORWOKGXQTBFUKR-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1F)N1CCCCC1 35478601 ACFAPZANSBPEDO-UHFFFAOYSA-N 446.295 5.645 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)N4CCCc5ccccc54)c3n2)cc1 39706886 KQEVFHFDANVJST-UHFFFAOYSA-N 436.437 5.317 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccc(Cl)cc2)CC1 39751212 YIFJSBCZVUPCLP-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB COc1ccc(NC(=O)c2ccccc2NC(=O)Cc2csc(-c3ccsc3)n2)cc1 40018272 GXPMLGZLCWSULM-UHFFFAOYSA-N 449.557 5.314 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)oc2S(=O)(=O)c2ccc(C)cc2)cc1 41154457 WGHNUIKIDHVUQQ-UHFFFAOYSA-N 432.501 5.044 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)cc1 57487383 PHHABRXELGCPPH-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB CC(C)c1noc(-c2ccc(NC(=O)c3ccc(NC(=O)Nc4ccccc4)cc3)cc2)n1 69390679 FPINZAFMNDWLQV-UHFFFAOYSA-N 441.491 5.756 0 40 IKAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 71844261 OUOKRJNWCFKZBA-GHTZIAJQSA-N 436.577 5.626 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358662 RBWRZWLNNCCSFO-HXUWFJFHSA-N 439.481 5.501 0 40 IKAB Cc1cnccc1-c1cnc(N(C)C)nc1[C@@H]1CCCCN1Cc1ccc(Cl)c(F)c1 96315927 WDCDPXOEENZEFH-QFIPXVFZSA-N 439.966 5.433 0 40 IKAB CCc1cccc(N2C(=O)N(C(=O)c3ccc(Cl)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032896 KLCLZPPRYYSBRQ-BKMJKUGQSA-N 446.934 6.225 0 40 IKAB O=C1[C@H]2C(c3ccccc3)(c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 100807799 AEVLUTIKJJHCAL-SVEHJYQDSA-N 449.937 5.767 0 40 IKAB COc1ccc(CCNC(=O)CC23C[C@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)cc1OC 101112724 GVDXVCXUDCIHJF-AAULQTLXSA-N 433.592 5.291 0 40 IKAB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)NC1=S 111675576 UTWHVHLYHMMVOE-ZDLGFXPLSA-N 430.360 5.074 0 40 IKAB Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)cc2F)c2ccccc2)c(C)c1 223209790 UZIGAAAEEXXKFA-XMMPIXPASA-N 427.972 6.235 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223352259 MLJWDYNBYWZDFV-QHCPKHFHSA-N 443.031 5.557 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223361261 JTMVFHNUWXPSSB-OAQYLSRUSA-N 447.044 5.463 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223404810 VHJRRJZMCAVVNW-HSZRJFAPSA-N 441.358 5.400 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 223551200 OLKPFSAZFWIUEG-PKTZIBPZSA-N 444.585 5.394 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224161568 XDGLOFFZOKSLFK-QFIPXVFZSA-N 436.640 5.415 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224172270 VDRGBWOVALCRBV-UHFFFAOYSA-N 447.531 5.611 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 224241297 BMMMONVVUCMQCG-UHFFFAOYSA-N 447.000 5.094 0 40 IKAB CN(c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1)S(=O)(=O)c1ccccc1 224254059 XHHHAGPEGQMBPL-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441079 RFRIOTNEXZIQFI-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224460884 DZCDGNWYWKOGMU-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1cc(C)cc(C)c1 224534086 WLBQGAHQOXOXED-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 224706445 NYOSVEGQOKVKHT-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CCCCOCc1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)ccc1OCC 224729594 UAGCEPKWZMOSMX-UHFFFAOYSA-N 431.576 6.245 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225289591 WSLANPXZIZJCRC-MHZLTWQESA-N 442.603 5.094 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2)c1ccc(-c2ccsc2)cc1 225616327 GMJVMTHCXDXWFP-UHFFFAOYSA-N 428.513 5.459 0 40 IKAB CCOC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340069 CDRZSMFQXVAWMR-UHFFFAOYSA-N 448.538 5.621 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4O[C@@H]4CCOC4)cc3)sc2c1 240067995 SGTIQHZMCHBEAB-GOSISDBHSA-N 431.517 5.087 0 40 IKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257313748 UTYLREMTDZPTGF-UHFFFAOYSA-N 444.506 5.820 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1cccc(OC)c1 408562487 QBUZEUIGWGFGRS-XDOYNYLZSA-N 431.355 5.057 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 409110195 UDGQNFSHGLFPMZ-UHFFFAOYSA-N 432.589 5.148 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1 409110429 BXSBFZPMLRRZOY-UHFFFAOYSA-N 426.310 5.647 0 40 IKAB CCCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2)c2ccccc21 409110980 BAHFMEYDODRTQK-JWGURIENSA-N 448.360 6.325 0 40 IKAB COc1ccc(Br)cc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409149057 WORBZJVSHQIWTK-QGOAFFKASA-N 432.339 5.127 0 40 IKAB COc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 409169196 VLGWTRFXEJDJBK-DEDYPNTBSA-N 434.879 5.025 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(C)c3C)cc2Cl)cc1Cl 409255724 MUSDQDUSSNJSJB-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB CCCCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409344431 GURDQEIRFARSOF-DEDYPNTBSA-N 431.941 6.159 0 40 IKAB CCCCc1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1 1505840690 RBFXLLYGDQPBIH-AREMUKBSSA-N 428.576 5.626 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848355244 ULHSNDAIBITSSF-QFIPXVFZSA-N 445.954 5.157 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 843892 KECDZVAZPVJZQR-HSZRJFAPSA-N 449.432 5.854 0 40 IKAB O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)Nc1cccc(Cl)c1 863686 CVJSYKFOAHXUFC-UHFFFAOYSA-N 436.924 5.024 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(C)c1 900593 XBCWXVTYRPFXFS-UHFFFAOYSA-N 428.561 5.341 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2N1C(=O)c1ccc(F)cc1F 1381920 URPRSPZNDUMYPR-CQSZACIVSA-N 426.850 5.200 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C3CCN(C(=O)Nc4cccc(Cl)c4)CC3)n[nH]2)cc1 1425368 HESDIBVLMXPRRA-UHFFFAOYSA-N 436.987 6.439 0 40 IKAB CCOc1ccccc1Oc1coc2cc(OCC(=O)c3ccc(OC)cc3)ccc2c1=O 1448071 LIRREXWUGWMGNZ-UHFFFAOYSA-N 446.455 5.254 0 40 IKAB biogenic c1ccc(-c2nc(-c3ccccc3)n3nc4c(c3c2-c2ccccc2)CCCCCC4)cc1 1557616 KDPVUISIUUPFPR-UHFFFAOYSA-N 429.567 7.389 0 40 IKAB CCN(CC)CCCCCNc1cc(OC(=O)c2ccc(Cl)cc2)cc2cccnc12 1687528 SYJJHKDQZZSKLP-UHFFFAOYSA-N 439.987 6.031 0 40 IKAB O=C1c2ccccc2C(=O)N1CCCCSc1ncnc2scc(-c3ccccc3)c12 2087644 ZEOJUUZMHOZFFF-UHFFFAOYSA-N 445.569 5.527 0 40 IKAB Cc1ccccc1Cc1nnc2sc(-c3cnn(-c4ccccc4)c3-c3ccccc3)nn12 2183304 GPYDDMICTVCQHE-UHFFFAOYSA-N 448.555 5.605 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 2202131 ADGYYUPCWDRUPE-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic COc1ccc(-c2c(NC(=O)c3ccccc3C)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2229176 PWEAMIPSXQADDS-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccccc1Br)[C@@H](c1ccccc1)C1CCCC1 2322144 CZBDQWZOHJGURP-LOSJGSFVSA-N 448.404 6.629 0 40 IKAB CCCCCCOC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2366381 VNHSYMOQAAHMLQ-UHFFFAOYSA-N 436.943 5.606 0 40 IKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(Cl)cc1)N(c1ccc(C)cc1)C(=O)C2 2429046 VBGYCDMRHYUTGY-SANMLTNESA-N 435.951 6.125 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 2436566 IEUXDLIZGSCVNM-UHFFFAOYSA-N 441.325 6.090 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccs3)sc2c1 2445238 JJXIVDSHVHVUNU-LJQANCHMSA-N 430.510 5.522 0 40 IKAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2655991 KFFMFQWDGYEBKX-GOSISDBHSA-N 436.625 5.547 0 40 IKAB Brc1cccc(-c2nnn3c2nc(NCCc2ccccc2)c2ccccc23)c1 2712929 LMOHXIXGKXMQQM-UHFFFAOYSA-N 444.336 5.362 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)NC2CCCCC2)c1C 2758766 ODHYILUQCDVKSJ-UHFFFAOYSA-N 448.972 5.201 0 40 IKAB COc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1Cl 2767626 XSHGMUIGZUUDHE-UHFFFAOYSA-N 434.511 5.265 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(c3ccccc3)C2=O)cc1 3146073 RNOHEJPLQGHZGB-PJPFFZEESA-N 441.530 5.713 0 40 IKAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc(OC(F)F)cc1 3232631 HPKVOSGVWLXPLX-UHFFFAOYSA-N 441.253 5.076 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c1C 3299232 RPNHXEWPTASUGW-DORSJAEJSA-N 443.590 5.402 0 40 IKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@@](=O)C3)CC1 4105945 BLIASSRTGBQULU-KVMMDYEXSA-N 427.614 5.187 0 40 IKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)c(Cl)c2)S1 4207775 TXRKHHZPLOLGEQ-VIFPVBQESA-N 432.735 6.316 0 40 IKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 4438668 DYQPOYYKSDGXFL-MRXNPFEDSA-N 426.651 6.407 0 40 IKAB Cc1[nH]c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc1Cc1ccccc1 8719414 MPSUIMOJXKFHRB-UHFFFAOYSA-N 439.890 5.712 0 40 IKAB Cc1cccc(NC(=O)c2ccc(CSc3nnc4c(n3)[nH]c3ccccc34)cc2)c1 8763692 DVQRHINEEPRJDZ-UHFFFAOYSA-N 425.517 5.359 0 40 IKAB COc1ccc([C@H](O)Cc2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 8916522 JMERSEKGZYRQDV-JOCHJYFZSA-N 437.337 5.132 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 9063673 UVLCQCMDKKUKHN-UHFFFAOYSA-N 429.750 5.314 0 40 IKAB Cc1ccc2nc(CSc3nc(C)nc4scc(-c5cccs5)c34)cc(=O)n2c1 9119753 KLLGKVFQPUHPMA-UHFFFAOYSA-N 436.587 5.337 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1-c1ccc(C(C)(C)C)cc1 9307265 OPBOYESSNMTKBX-UHFFFAOYSA-N 443.016 5.955 0 40 IKAB COc1ccc(C2=NN(C(=O)CSC3CCCCC3)[C@H](c3ccc(OC)cc3)C2)cc1 9443996 ISZXFOAJUXCDAM-DEOSSOPVSA-N 438.593 5.447 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c(=O)c12 9645767 AFZDUSUJKDLNGW-GFCCVEGCSA-N 443.638 5.538 0 40 IKAB CCC[C@H](NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)c1ccccc1 10436332 VRHRIBVDGGWXSF-DEOSSOPVSA-N 428.403 7.512 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccccc3)c2NC(=O)c2ccco2)cc1 12409818 ARHQJDILNLJMLN-UHFFFAOYSA-N 448.544 5.140 0 40 IKAB Cc1cc(NC(=O)CSCc2ccccc2)n(-c2nc(-c3ccc(F)cc3)cs2)n1 12442034 AHQACCNRIJXYHG-UHFFFAOYSA-N 438.553 5.315 0 40 IKAB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(Cl)cc1 12484823 AJOJJPWIIJFJKX-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)N(Cc1ccccc1)Cc1ccccc1 13130468 OKFOELQQEHPPBG-DEOSSOPVSA-N 441.600 5.662 0 40 IKAB O=C(c1ccc2noc(-c3ccccc3)c2c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 13629521 BCKNYEBMFFDHFP-UHFFFAOYSA-N 432.907 5.272 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)c(C)c1 13940056 AKMUMTKJAMGIMU-GDLZYMKVSA-N 441.571 5.608 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)cc1OC 15729527 HBPSUTUZAYEJCJ-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic COc1cc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccc(C)cc1 15945284 DJNLNGTTYFWUAH-QFIPXVFZSA-N 448.544 5.017 0 40 IKAB COc1cc(CNCCc2ccccc2F)cc(Br)c1OCc1ccccc1 16195716 UCYMLOQWTCWKGW-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1c(Cl)cccc1Cl 16196255 WZYCDHQOAOPQRI-NRFANRHFSA-N 432.347 5.404 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 16610749 JJQCNXWMFNQMOQ-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)cc3)c(NC(=O)c3ccc(Br)cc3)n2c1 16806370 BROQZTZJQRVMAY-UHFFFAOYSA-N 440.728 5.978 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)c(C)c1 16841028 GKBBCUAYJGSSQS-UHFFFAOYSA-N 429.973 5.880 0 40 IKAB Cc1sc(NC(=O)CCC(=O)O)c(C(=O)OC(C)C)c1-c1ccc(C(C)(C)C)cc1 17097626 UXWRIESSDVCBIV-UHFFFAOYSA-N 431.554 5.390 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2csc(-c3ccsc3)n2)cc1 19204103 YSFNOBBHWDOKNP-UHFFFAOYSA-N 436.558 6.244 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)n1 19239830 ABPUMKOBRYULRW-OAQYLSRUSA-N 441.362 5.368 0 40 IKAB Cc1c(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)nnn1-c1ccc(OC(F)F)cc1 19911345 GBFXNIDBNCIZIC-UHFFFAOYSA-N 446.763 5.102 0 40 IKAB c1ccc(CN(Cc2cccs2)[C@H](c2cccs2)c2nnnn2C2CCCC2)cc1 20098748 YIQKXVVJKRXCDK-JOCHJYFZSA-N 435.622 5.703 0 40 IKAB CC1CCN([C@@H](c2cccc(Cl)c2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851896 VQWOSOAJBOVCDV-KRWDZBQOSA-N 428.945 5.231 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(CSc3nc4ccccc4s3)n2CC)n1 27777798 HOHUKQAUCFRTEE-LBPRGKRZSA-N 446.627 5.389 0 40 IKAB COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 28292410 FVMXMMNYXPUCQM-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1sc2nc(C)cc(C)c2c1C 32863622 NCGOKDQWIBATLP-UHFFFAOYSA-N 449.498 5.130 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1 33064386 GCMPLPQHUYWCTE-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB CCc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 35147359 LTHZLHSPUDHQIP-VWLOTQADSA-N 427.935 6.351 0 40 IKAB Clc1cccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccccc2)c1 44087413 MPBJMCOBTDLREA-UHFFFAOYSA-N 445.802 7.792 0 40 IKAB Fc1cccc(-c2noc([C@H]3CCCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2)c1 58159794 WRAJREWLUBTJHX-LBPRGKRZSA-N 426.801 5.327 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5ccccc5Cl)c(=O)c4c3C)n2)c1 67260296 HHMZHPWSFODCBP-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c(OC)c1 67295200 DXVKRUSSVBGSJN-PNHLSOANSA-N 449.894 5.292 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(c2c(C(=O)N3CCCCC3)cnc3ccccc23)CC1 72328380 ZGJFMXWRNSBGCM-UHFFFAOYSA-N 448.998 5.149 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(C(=O)c2ccccc2)cc1 90500404 XRKFIFPKIOSHHH-UHFFFAOYSA-N 429.328 5.351 0 40 IKAB O=C(NCc1ccc(-n2ccnc2)nc1)c1ccc(-c2cc(Cl)cc(Cl)c2)s1 96998770 TXIWPUXJWDAZRI-UHFFFAOYSA-N 429.332 5.233 0 40 IKAB CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC 101343530 INXGAHHQCIHNOR-BPYIEZMESA-N 443.631 6.897 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 107041979 SOSGEMWLLKOZEA-UHFFFAOYSA-N 438.301 6.861 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222985309 XRKXQWUBNGPLPR-FCHUYYIVSA-N 435.549 5.121 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 223101872 UMWBENPBAJZAKQ-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223178538 JKUZWVLGIPWXSL-QFIPXVFZSA-N 429.004 5.124 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223649018 IWYLUOOLRZHLLT-QHCPKHFHSA-N 429.004 5.305 0 40 IKAB Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223805817 JFBVOUGZKHTCPW-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223899293 GHNPGIRHWCLWDG-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1C 224280133 QICKLJMLQKTBMP-RPBOFIJWSA-N 425.557 6.136 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1cc(C)cc(C)c1C 224612264 AQURRBFDRDUVBF-UHFFFAOYSA-N 447.531 5.628 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224636803 NVVPDWKJTPQDQS-XMMPIXPASA-N 441.015 5.181 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H]2CCCC[C@H]21 229926866 OCBGRIQTTYHAGA-KSTXQTNUSA-N 436.478 5.177 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)[C@@H]1C[C@H]2CC[C@H]1C2 239412362 SPFMYGMPPCZEPK-HOCDWTQPSA-N 432.490 5.098 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3cccnc23)CC1 257219304 DGIULZIZZWOIAN-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 260784381 WBMPAONHIFAGGM-BQKRCXSJSA-N 437.012 6.040 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 408579979 MHLMPBZAEHTBRP-UHFFFAOYSA-N 444.350 5.483 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2C)c1 408625527 VLMCOXXMMJSWSW-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(Cl)cc4)C(=O)O3)sc2c1Cl 408969656 RPNCEBXEIIXIMG-WQLSENKSSA-N 438.719 6.215 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408974024 VBLSAWSSPSONOH-SANMLTNESA-N 430.573 5.372 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccccc2C(C)C)c2ccccc2)cc1 408976237 ABRLEASONOJYDR-DEOSSOPVSA-N 436.577 5.167 0 40 IKAB Oc1nc(-c2ccc(Sc3cccc4cccnc34)o2)nc2sc3c(c12)CCCCC3 408994541 ZPFIGUOIBDTHCE-UHFFFAOYSA-N 445.569 6.625 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CCc1ccccc1 409008059 VLXMEOXIQTVSBW-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1OCC(C)C 409220325 WVWIEHLGAAJQMN-XKZIYDEJSA-N 439.533 5.039 0 40 IKAB O=C(Nc1cccc(N=c2cc[nH]cc2)c1)c1cccc(N=c2cc[nH]c3ccc(F)cc23)c1 1542053001 KIEHAZJAUOMXGM-UHFFFAOYSA-N 449.489 5.352 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(C(=O)C3CCCCC3)Cc3ccccc32)c1 2037884750 JMWMACKQAMMRJK-UHFFFAOYSA-N 448.607 5.825 0 40 IKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(C3CCCCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242699 JANFUSSJDGQHCW-PJTSNVSCSA-N 430.596 5.403 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4cccc(Br)c4)c(N)c3cc2C1 661770 FUCZERKARCOTKJ-NSHDSACASA-N 430.371 5.408 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(=O)c1cccs1 716655 SUPYVCHRVIGCDB-IBGZPJMESA-N 429.497 5.603 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccc(C)cc3)cc2c1 884432 QMVTYMKUEFGIKC-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 997079 DECTYGFZUIEOKX-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1C 1224005 OWXBCEAIMINXMU-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 1248479 WRTQJUZHVRUJNV-UHFFFAOYSA-N 449.240 6.097 0 40 IKAB Cc1ccc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 1380132 SNWOQFFAHQZKTN-XMMPIXPASA-N 434.511 5.482 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccccc1F 1382724 RTPHTRMDGYAODS-QFIPXVFZSA-N 440.902 5.519 0 40 IKAB O=C1c2ccccc2C(=O)N1c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1 1742651 WYIHLOQACRFYNG-UHFFFAOYSA-N 435.479 5.645 0 40 IKAB Cc1cccc(N2C(=O)C(Cl)=C(N(Cc3ccccc3)Cc3ccccc3)C2=O)c1C 1766079 NKFNBXZRLXBITI-UHFFFAOYSA-N 430.935 5.329 0 40 IKAB CC(C)c1ccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(C)C)cc3)c2)cc1 2190177 NMIOUYXBTZBRFU-UHFFFAOYSA-N 428.576 5.793 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(C)c2)c1 2434837 YTWWQRXZIGCKDK-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2452805 SHZWJBLDCHIKFP-UHFFFAOYSA-N 428.989 5.647 0 40 IKAB CCc1cc([C@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551889 XZZYBFZNQQYUGG-QHCPKHFHSA-N 439.024 6.792 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 2804429 LMJSORCADKIWLI-VIFPVBQESA-N 431.668 5.128 0 40 IKAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)N1c2ccccc2Sc2ccccc21 3289054 CBRWHUSKTNYHRT-UHFFFAOYSA-N 447.531 6.010 0 40 IKAB Brc1ccc(-c2nnc(SC[C@@H]3CCCO3)n2CCc2ccccc2)cc1 3331334 ATTLFRHZBYHTDH-IBGZPJMESA-N 444.398 5.221 0 40 IKAB O=C(CCCSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)c1ccc(F)cc1 3378849 INHNFMXFKVMNHK-KRWDZBQOSA-N 431.558 5.080 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccccc1-c1ccccc1 3449065 ADNIDRLVVDGLNJ-UHFFFAOYSA-N 426.501 5.616 0 40 IKAB C[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655466 IBQDJDWOBUPHIO-CQSZACIVSA-N 437.854 5.862 0 40 IKAB CCCCCCC(=O)Oc1ccccc1N1C(=O)c2ccc(Br)cc2C1=O 3666876 HJOIMPRRCBBXGM-UHFFFAOYSA-N 430.298 5.126 0 40 IKAB CC(C)C[C@H](C)OC(=O)/C=C(/CC(=O)O[C@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 5454286 PKLUSOSWJPKLAL-CWLZQDQJSA-N 426.594 5.236 0 40 IKAB Cc1cc(C)c(NC(=O)c2sc3nc(C)cc(C)c3c2NC(=O)c2ccccc2)c(C)c1 8590859 WJZUPLNRSZVZOV-UHFFFAOYSA-N 443.572 6.343 0 40 IKAB COc1cccc2cc(C(=O)N(C[C@@H]3CCCO3)c3nc4c(F)cc(F)cc4s3)oc12 9133764 HABVDJHACGUWSL-AWEZNQCLSA-N 444.459 5.155 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OCc1ccccc1 9144706 CQVHXOMFABOIFE-OAHLLOKOSA-N 432.545 5.364 0 40 IKAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Br)s3)nc12 9151897 LRDUPBOETUVQLT-UHFFFAOYSA-N 438.416 5.027 0 40 IKAB CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9158801 ZHOJGJDPGDKWIB-QHCPKHFHSA-N 442.540 5.585 0 40 IKAB CSc1ccc([C@@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 9419821 LNEYZFDJCXEEOF-IBGZPJMESA-N 444.423 6.622 0 40 IKAB CCN(CC)c1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9454597 UCYIBMYJZPAQCY-UHFFFAOYSA-N 430.643 5.782 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2Cl)o1 9458355 UQMMHWCVYFSYTN-WIYYLYMNSA-N 443.728 6.246 0 40 IKAB COc1ccc(Cl)cc1C(c1c(C)n(C)c2ccccc12)c1c(C)n(C)c2ccccc12 9557707 YMUAWEQUOVFBNJ-UHFFFAOYSA-N 442.990 7.129 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 9569378 LMANJUFLYIQKFU-UHFFFAOYSA-N 426.925 5.255 0 40 IKAB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)NC1CCCC1 9632670 DOGMPRWTXJYHLO-UHFFFAOYSA-N 448.636 5.678 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 9669600 DRDZIFYPICZGMZ-CFWGEQFBSA-N 446.591 5.091 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(-c4ccccc4F)n3C3CC3)o2)cc1C 9884967 UTKVEQXLTBQKHY-UHFFFAOYSA-N 441.557 5.694 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(I)cc3)ccc21 9905991 FGCLNGLMTPMSEX-UHFFFAOYSA-N 440.284 5.671 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(Cl)cccc3Cl)o2)cc1 10045101 KVKZUZJHQCGKJX-UHFFFAOYSA-N 433.291 5.071 0 40 IKAB C[C@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)c(F)c1F 11443907 YSLLYMXFSBBYCD-ZETCQYMHSA-N 431.794 5.295 0 40 IKAB Cc1cc(Br)ccc1N1COc2c(cc3c4c(c(=O)oc3c2C)CCCC4)C1 11866649 XMAAOPADBUXMJF-UHFFFAOYSA-N 440.337 5.408 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 12184716 KQWGVUFEPCBFTF-UHFFFAOYSA-N 428.960 5.018 0 40 IKAB CCN(CC)C(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 12554496 MKJFRKMDMMYJRV-ZDUSSCGKSA-N 441.881 5.280 0 40 IKAB COc1cccc(C(=O)Nc2ccc(Oc3nnc(-c4ccccc4)c4ccccc34)cc2)c1 12583920 JLQLTKSIAJGAKT-UHFFFAOYSA-N 447.494 6.350 0 40 IKAB CCn1c2ccccc2c2cc([P@](=Nc3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 12639687 STUOLAWXUNLGIB-YTTGMZPUSA-N 443.575 7.782 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN[C@H](c1ccc(F)cc1)c1cccs1 12779955 YZQHLDCDHSBQLN-HXUWFJFHSA-N 433.346 5.276 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc(-c3ccc(F)cc3)nc3cc(C)ccc23)cc1 13084559 WJRMLPRSIWQMFO-UHFFFAOYSA-N 431.536 5.461 0 40 IKAB O=c1c2ccccc2nc(SCCOc2cccc(Cl)c2)n1-c1ccc(F)cc1 13098660 YHDDONXCXWERCV-UHFFFAOYSA-N 426.900 5.349 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(OC)c1 13568365 WGFLXAMQFJJHNB-UHFFFAOYSA-N 444.000 5.359 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 13691118 AMNKOEMSLRONMO-UHFFFAOYSA-N 441.527 6.218 0 40 IKAB CCOc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 14272056 OSFLGJMBZVNCNB-UHFFFAOYSA-N 443.355 6.921 0 40 IKAB Oc1cccc2ccc(/C=C/c3ccc(OCc4ccccc4)c(Br)c3)nc12 15016701 XLWJHKGPGNSYSG-FMIVXFBMSA-N 432.317 6.452 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)CSC(c1ccccc1)c1ccccc1 15473449 QHGAWAVNZDVFNS-UHFFFAOYSA-N 432.589 5.223 0 40 IKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccc(Cl)cc2)cc1 19325723 CIISXYDZRGLQRH-UHFFFAOYSA-N 436.983 5.764 0 40 IKAB CC(=O)Nc1ccc(CN2CC[C@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cc1 19704708 OAUZUXLMYAIHOM-QFIPXVFZSA-N 432.568 5.060 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)c(Cl)c1 19928126 OKDIOODQMFCCQW-UHFFFAOYSA-N 439.711 6.039 0 40 IKAB CCOC(=O)c1ccc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20169008 GJJHSDBCUPGNNE-OAQYLSRUSA-N 433.895 5.768 0 40 IKAB Cc1ccc(CNC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20367309 DDRVSJTWNIVYOJ-OAQYLSRUSA-N 432.911 5.287 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20454084 ISNMYHVHEBKZRN-DEOSSOPVSA-N 442.603 5.313 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(Cl)cc2)cc1 20970261 HDEVBYKWDVHYND-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21032055 AKVLRRZINWFQDR-IBGZPJMESA-N 438.911 5.063 0 40 IKAB O=C(NCCCc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 22511723 RQFDRSNOXKAJOT-UHFFFAOYSA-N 425.981 5.874 0 40 IKAB Cc1cc(N2CCN(c3ccccc3)CC2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 23114967 LTSBDGTVMNBQEL-UHFFFAOYSA-N 437.469 5.050 0 40 IKAB O=C(CCOc1cccc2ccccc12)N[C@@H]1CCCc2c1cnn2Cc1ccccc1 24934727 MCTJNMIACYPTNZ-XMMPIXPASA-N 425.532 5.047 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)no2)cc1F 27989871 BFMLGIGKZHKATK-JOCHJYFZSA-N 441.934 5.400 0 40 IKAB Cc1cccc(OCCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1C 35146410 SWLYPZHNLMBMCQ-OAQYLSRUSA-N 433.596 5.627 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44911891 ZBCFWFRPCVKBDT-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)Nc1ccc(OCc2ccccc2)cc1 51364465 KSMDUMWOYBFDIA-XMMPIXPASA-N 436.511 5.424 0 40 IKAB O=C(c1cccs1)N(C(=O)c1cccs1)c1nnc(-c2ccco2)c(-c2ccco2)n1 57728908 WPGOEBFJXWHTBE-UHFFFAOYSA-N 448.485 5.002 0 40 IKAB Cc1c([C@@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 58158174 DPEXSYREVIOVMD-MQMQVCBVSA-N 438.531 5.045 0 40 IKAB Cc1ccc(-n2cc(-c3nc(-c4ccc(Cl)c(F)c4)no3)c3ccccc3c2=O)cc1C 67245318 QFGBGDZGZBTCGP-UHFFFAOYSA-N 445.881 6.117 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 67259625 FKSHSUGPONDZTP-UHFFFAOYSA-N 444.600 6.374 0 40 IKAB COC1CCC(N(C(=O)C2CCC(C)CC2)c2cc(C3=CCCCC3)sc2C)CC1 87493314 LFTPALYIAYDIEZ-UHFFFAOYSA-N 429.670 7.131 0 40 IKAB CC1=C(CC(=O)Nc2nccs2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101450058 OWZZPDJNIRNDDL-QJVLNZARSA-N 438.549 5.376 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)ccc1OCC(C)C 106764188 MLQJPFGKIUQEOW-JCMHNJIXSA-N 441.549 5.235 0 40 IKAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccccc1Cl 214098967 NACNIXAWMKUUMZ-OVCLIPMQSA-N 426.694 5.478 0 40 IKAB COc1ccc(-c2ncc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c(C)n2)cc1 222576930 PPGYMMZADKSQOB-UHFFFAOYSA-N 445.906 6.159 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12 222774013 XLBRKLBVGWVEJM-INIZCTEOSA-N 443.374 5.243 0 40 IKAB COc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)(C)C)cc1 223090281 LXFRZKLZNFUYTH-HXUWFJFHSA-N 446.591 5.113 0 40 IKAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223262481 FWVPPRCJFXSHHF-AREMUKBSSA-N 448.607 5.052 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223442880 VQPXOFVACLIUOO-DNQXCXABSA-N 432.593 5.180 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223898731 CAVHVAXNWGDDBK-HXUWFJFHSA-N 446.566 5.388 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223900599 BEHKGRBDWUDWIM-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224173219 NNTLVJOUJGCFBM-UHFFFAOYSA-N 440.540 5.246 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1N(C)S(=O)(=O)c1ccccc1 224289099 FMYHSJYLDQBCDM-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cc(C)cc(C)c1 224532765 IZJWHLFLWPYZTC-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224586078 JSHKDDCNJIGTAY-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 224631461 ISZSTCCMGVMESJ-QFIPXVFZSA-N 447.044 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1CSc1ccc(C)cc1 224664170 JDFQADUWPSQTOL-UHFFFAOYSA-N 437.561 5.956 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCCC1 224692908 UYFCJPPYBLJIMA-LJQANCHMSA-N 426.988 5.057 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)o2)c1 224900165 IMFKPJIGPZHBJX-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 224940252 YWYSLHGQPGIGOV-UHFFFAOYSA-N 425.576 5.488 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1Cl 225009697 KPEJAPZSBBGKCJ-FCHUYYIVSA-N 440.975 5.580 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C(C)C 225041428 XIWNUBUNHICXBW-RPBOFIJWSA-N 447.652 5.556 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)CCc3ccccc3)cs2)cc1 225251618 YFZRTGGKIKTINZ-PXLXIMEGSA-N 437.590 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 225514927 CBUDSOKATXMALZ-SQJMNOBHSA-N 446.591 5.249 0 40 IKAB Cc1ccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC(C)C)cc1 225530301 CSWBYSXSRDCFCP-QHCPKHFHSA-N 442.603 5.459 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 225709430 ZMKXDRDBPQTAAJ-GOSISDBHSA-N 437.561 5.366 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257276719 NUWAXSDVXJIHJU-VWLOTQADSA-N 443.934 5.088 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1C 408645841 MQRHUUZCMFMCRM-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 409086290 GSIKWYSMPOWULR-UHFFFAOYSA-N 428.561 5.151 0 40 IKAB CC(C)(C)c1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(C(C)(C)C)c1O 409087749 JTUNYSMBFGPEEC-XDHOZWIPSA-N 426.944 5.738 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)oc(-c2ccccc2)c1-c1ccccc1 409115452 MLWSGTBSXLANRU-UHFFFAOYSA-N 429.447 6.182 0 40 IKAB Cc1cccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)c1 409117261 LEHZTIIFNQDTKK-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(I)c1O 409117348 XMFJPNJXLYYFEO-UHFFFAOYSA-N 447.272 5.410 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409131742 JRPPMHSMJZLUFO-VJWQYWRGSA-N 432.951 6.048 0 40 IKAB CCN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)C1=O 409167471 MECLMMUJGUTPCZ-UDWIEESQSA-N 441.314 5.638 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Br)cc3)C2=O)cc1 409217613 DRDZOTDVBDCLJZ-YBFXNURJSA-N 444.350 5.492 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccc([S@](=O)(O)=Nc2ccccc2)c1 409416081 XWJHKUAYDFFLRM-UHFFFAOYSA-N 431.311 5.333 0 40 IKAB O=C(CC1(N2Cc3ccccc3C2=O)CCOCC1)Nc1ccc(Oc2ccccc2)cc1 1548348847 SYHLTWMNOWGMCD-UHFFFAOYSA-N 442.515 5.013 0 40 IKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)CO1 658182 JTQVUTQIMUBSBW-CQSZACIVSA-N 440.421 5.970 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 682933 GLUJEDCAZQVVOG-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccco1)C(=O)c1cccs1 1333464 KAICLRJAWIZCPH-FQEVSTJZSA-N 428.579 5.235 0 40 IKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(C(=O)c4ccccc4)cc3)c3ccccc3n2)cc1 1861384 XQNSLPIBJOQPBP-UHFFFAOYSA-N 443.502 6.660 0 40 IKAB CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@@H]3C)CO2)[C@@H](C)C1 2097851 MFGNVTISQZYJEE-UBEZEKPPSA-N 426.685 8.167 0 40 IKAB biogenic Cc1cccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1C 2118081 WBCFAWIYFZNYOJ-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)sc1C 2249529 SPOLCUAPNGDMKC-NRFANRHFSA-N 430.529 5.740 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2272436 KGDFTGTZTHPTDS-KRWDZBQOSA-N 426.651 6.159 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c3ccccc3n2)s1 2738502 RNJOXADEQSQCSB-UHFFFAOYSA-N 435.961 6.787 0 40 IKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)N1CCc2ccccc2C1 2738681 AFGBQSQUFYELFJ-UHFFFAOYSA-N 433.338 6.407 0 40 IKAB biogenic,in-vitro O=C(/C=C/c1c(Cl)cccc1Cl)Nc1ccc(Br)c(Br)c1 2750156 SFIPOFGHVSVQCP-FNORWQNLSA-N 449.957 6.170 0 40 IKAB Cc1ccc(C(=O)NC[C@@]2(C)C[C@@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C 2752490 KSIKJNIQBQLYQP-CUBQBAPOSA-N 434.624 5.665 0 40 IKAB CCOc1ccc(-c2c(C)sc(NC(=O)c3ccccc3Cl)c2C(=O)OC)cc1 2888729 VRQDQCXRCAIUGC-UHFFFAOYSA-N 429.925 5.815 0 40 IKAB O=C(Nc1ccc(-c2noc(-c3ccccc3Br)n2)cc1)c1cccs1 2931002 XLLNRHPMQDFYCA-UHFFFAOYSA-N 426.295 5.480 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)cc2c1 6300297 RQUXTKCDAQKKNF-FQEVSTJZSA-N 447.648 5.915 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2-c2cccc(C)c2)c2ccccc2)cc1 8724181 KRZNOSURFKUXPV-QHCPKHFHSA-N 444.560 5.365 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 8752552 ZTCGBWNJRGFJEO-GOSISDBHSA-N 431.923 5.267 0 40 IKAB O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2ccc(Cl)c(Cl)c2)c[nH]1 8781673 VNRLFXIUGYIZQF-UHFFFAOYSA-N 439.129 6.054 0 40 IKAB CC(C)(C)c1ccc(Cn2c(-c3cccnc3Cl)nc3cc(Cl)c(Cl)cc32)cc1 8781678 GXKKMJISLDTWIZ-UHFFFAOYSA-N 444.793 7.404 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(OCc4ccccc4)cc3)n2)cc1OC 8832058 VRZWJIDLIDUOEN-UHFFFAOYSA-N 446.528 5.659 0 40 IKAB O=C(CCCSc1nnc(-c2cccs2)n1C1CC1)c1ccc(Br)cc1 9056275 DVBWJLBKGYQPET-UHFFFAOYSA-N 448.411 5.859 0 40 IKAB CCN(CC)C(=O)Cn1cc(SCC(=O)Nc2c(C)cc(C)cc2C)c2ccccc21 9118247 FDUZRPGAFPLQEQ-UHFFFAOYSA-N 437.609 5.166 0 40 IKAB CCOc1cc(COC(=O)c2ccc(OC(F)F)c(OCC)c2)ccc1OC(F)F 9235484 IFVVTIJJMMCUSB-UHFFFAOYSA-N 432.366 5.044 0 40 IKAB Cc1cccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)c1 9264881 NOSNMAJIKSSRRQ-GOSISDBHSA-N 446.551 5.498 0 40 IKAB CCC(C)(C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 9287760 LKRCCWOJVXDNAD-UHFFFAOYSA-N 442.515 5.192 0 40 IKAB COc1ccc(CCN2C(=O)c3ccccc3[C@@H]2c2c(C)n(C)c3ccccc23)cc1OC 9355469 QPKSJAVQYFSDQJ-HHHXNRCGSA-N 440.543 5.292 0 40 IKAB CCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9397249 LUEVWYISICJEBT-RPLLCQBOSA-N 428.532 6.116 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1oc3ccccc3c1C)CC2 9431212 XMLIUWXLUOFEKU-RUZDIDTESA-N 427.500 5.546 0 40 IKAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 9509349 SPCPMLPYRGOGFB-KBPBESRZSA-N 449.407 5.549 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cccc2c(Br)cccc12 9553787 KSYSKDBOWCEYMR-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB COc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4)c3c2c1 9676096 HUBXOMWZELWCGQ-UHFFFAOYSA-N 430.305 6.012 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)nc3scc(-c4cccs4)c23)cc1 9806578 NRLCFQKWPTXMNU-UHFFFAOYSA-N 439.587 5.662 0 40 IKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2ccccc2)sc2nc(-c3ccccc3)cn12 10069132 ANYVACDSYGZQDT-UHFFFAOYSA-N 437.568 6.214 0 40 IKAB CC(=O)N(c1nc(COC(=O)/C=C/c2csc(C)n2)cs1)c1c(C)cc(C)cc1C 10827754 JKKUVPAWVXMYJE-VOTSOKGWSA-N 441.578 5.274 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 11692469 INDLABONRCQYKS-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)c1 12496630 CNSZMJGEOJPXKH-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CCCC2 12524309 WMXQCHSNYWCLLJ-UHFFFAOYSA-N 426.563 5.083 0 40 IKAB C[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc(Cl)cc2)n1-c1ccc(F)cc1)N(C)C 12554259 JNOUMFJSCLPXCS-UONOGXRCSA-N 432.952 5.046 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)N(C)Cc3ccc(OC)c(OC)c3)ccc21 13058448 ZEVUUZDAQJTGCC-SFHVURJKSA-N 445.563 5.291 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc2c(c1)nc1n2CCCCC1 13098600 NFZUKWFCHQXLEK-UHFFFAOYSA-N 438.742 5.740 0 40 IKAB COc1cc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc(OC)c1OC 13632281 GGSGEFFFWZDVOG-UHFFFAOYSA-N 443.952 5.910 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 13946069 RMLNNHWCCWHJAK-UHFFFAOYSA-N 436.964 6.904 0 40 IKAB Cc1ccc(C(=O)N(C(=O)c2ccc(C)cc2C)c2ccc(Br)cn2)c(C)c1 16284730 IWRKDAIGDNIHNU-UHFFFAOYSA-N 437.337 5.565 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1Cl 17095106 UROVCIYKZSIYNJ-UHFFFAOYSA-N 426.649 6.300 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 20005102 XNHHCAYTVYULMV-LJQANCHMSA-N 449.601 5.483 0 40 IKAB CCOC(=O)c1nnc2c(-c3ccccc3)c(CC)nn2c1CSc1ccc(C)cc1 20797710 UVBNZWMDQIMSJY-UHFFFAOYSA-N 432.549 5.131 0 40 IKAB CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4c(c3)CCCC4)nc12 21686168 XSTSUMRDQVFEIY-UHFFFAOYSA-N 432.549 5.320 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(C)cc(C)cc2C)CC1=O 31903477 PSLIEIIABIRZEL-OAQYLSRUSA-N 439.559 5.539 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 32114624 OIGKJUDSTRTJPT-MDWZMJQESA-N 430.891 6.299 0 40 IKAB CC(=O)N(c1nc(/C=C/c2nc(-c3ccc(F)cc3)cs2)cs1)c1ccccc1F 32642182 FXOGGMWPHRPROS-ZHACJKMWSA-N 439.512 6.400 0 40 IKAB O=C1/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)SC(=S)N1Cc1ccco1 35039535 PEXNAEGVPUPHAV-UDWIEESQSA-N 441.961 5.913 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CC(=O)NCc2cccs2)cc1 38678488 WMJQFFAAEYSVMI-UHFFFAOYSA-N 442.968 5.057 0 40 IKAB CN(Cc1ccccc1N1CCOCC1)C(=O)C1(c2cccc(Cl)c2)CCCCC1 40051027 OEOSILKGUCDTNK-UHFFFAOYSA-N 426.988 5.037 0 40 IKAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCCCCC3)cnc2n1 49004731 XJEJCHUBUIHITI-UHFFFAOYSA-N 439.357 5.461 0 40 IKAB CCCCOc1ccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317078 BMVOXWNIXCQMSU-UHFFFAOYSA-N 428.326 5.818 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c(OC)c1 67258914 VQVPNLXCUUNQNF-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3cccn4cc(-c5ccccc5)nc34)[nH]c2c1 72333686 GLCIZMHMZXTHSP-UHFFFAOYSA-N 443.532 5.007 0 40 IKAB COC(=O)C(=O)c1cn(Cc2ccc(C(C)(C)C)cc2)c2ccc(-c3cccc(C)c3)cc12 79017035 MXXUHBFHIYSEGL-UHFFFAOYSA-N 439.555 6.318 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700653 BLIVGZQMFYYMDI-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2c(C)cccc2C)cc1 107631066 LMXMATUHLGMUQB-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 107956619 NVZDJUUCMXNVBJ-NRFANRHFSA-N 446.450 5.325 0 40 IKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936197 ZUXCJTMUJNGXDG-NEVXCOBLSA-N 430.629 5.942 0 40 IKAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccccc2OC(F)(F)F)cc1 215716013 MWXFQZWFKKFXKP-HKWRFOASSA-N 440.421 5.303 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccc(CN2CCCCCC2)cc1 219965065 NNHYBROFLXOCCE-UHFFFAOYSA-N 438.959 5.038 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 222683604 RLNZYHXWFPDVDK-LVXYXVKQSA-N 426.948 5.644 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 222841235 XKINELQJKNQBND-PMACEKPBSA-N 441.398 5.016 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223860984 VWRAGSOMFUYJPW-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223970430 CMXRFOSQRMXVAQ-ZEQRLZLVSA-N 447.608 5.216 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(C(C)(C)C)cc1 224181060 ZBNLZPPMIWDKQV-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)c1 224314349 UGZADTKQBZIOTO-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224332971 IMYPEYKJFGHVSJ-CLJLJLNGSA-N 444.648 6.355 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224540827 JIZLBRROJPLLDY-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224625321 XOAHBQPZIWCMNX-PKTZIBPZSA-N 443.597 6.421 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 224657043 XNJLYWVICCWTSG-RUZDIDTESA-N 438.612 5.077 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 224847748 BUGFLQGOCWVHMM-INIZCTEOSA-N 448.941 5.027 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029157 DEZAHDDEBBGFQT-PKTZIBPZSA-N 437.996 6.219 0 40 IKAB CC1=C[C@@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]21 226410874 SFPYDOIXKBOBNZ-JFTIXFDTSA-N 443.543 5.043 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccnc2)CC1 257278510 OCOAAHIKEPLTCY-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 257323710 WLOJFWFQQAKDNT-INIZCTEOSA-N 435.568 5.223 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 257326086 WVSVFGPCKNOIJZ-UHFFFAOYSA-N 443.526 5.098 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C[C@H]2C=CCC2)CC1 257339000 YZUZQMYDVHMWOS-NRFANRHFSA-N 448.582 5.136 0 40 IKAB Cc1cccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1 334157701 OPOHFDAJXGDFNL-UHFFFAOYSA-N 425.384 7.362 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408573747 KGFJLHBOPLYHRS-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408604343 IFIJFYMOSAORDP-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)c1 408640752 IQUIMHQMCAJGEC-FQEVSTJZSA-N 428.532 5.902 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(OC)c(Cl)c2)cc1 408677836 RWOBTLPESKAXFY-UHFFFAOYSA-N 448.906 5.488 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2C)NC1=O 408804837 ZPSXQNRAPKAJFP-UHFFFAOYSA-N 437.972 6.353 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccc(C)cc2)cc1 409107441 PVMCJNKOXVPCOT-UHFFFAOYSA-N 445.588 5.736 0 40 IKAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)cc1Cl 409270829 BAKIEUSWCJVXFS-UHFFFAOYSA-N 448.162 5.816 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1C 409378153 MSGBUHRTARWYTD-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C(CSc1n[nH]c(Cc2ccccc2)n1)N1c2ccccc2Sc2ccccc21 409384878 GSGIPQANNITREI-UHFFFAOYSA-N 430.558 5.317 0 40 IKAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 409391473 ZRRGCXKBPPMGNM-UHFFFAOYSA-N 434.348 5.498 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@]12CC[C@@]1(COC(=O)C1)O2 504379582 CVOGMLCVYFNXLE-FGYLABMSSA-N 440.580 5.188 0 40 IKAB biogenic Cc1[nH]nc(NC(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c1-c1cccc(Cl)c1 608469158 AJIXCNBTCKPVEP-UHFFFAOYSA-N 445.910 5.935 0 40 IKAB CCN1CCCCCN(C(=O)c2ccc(C)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582622 AYGRQRFEXDZCGZ-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1ccc2ccccc2c1 1615055614 JXHSIVCRHOHQNP-GAJHUEQPSA-N 442.481 5.109 0 40 IKAB C[C@]1(NC(=O)Cc2ccc(F)cc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccccc2)C1 1848357480 JZPATQRPYVFXLA-RMTZWNOUSA-N 437.942 6.190 0 40 IKAB C[C@@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)N(C)[S@](=O)C(C)(C)C 1857794986 DBEGJDQBKCWIDZ-AFJIDDCJSA-N 435.658 6.914 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 793732 NKZMMSHXGCVYMW-UHFFFAOYSA-N 437.834 5.086 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 842026 KRQIILQWVUYYST-NFJKTXFASA-N 433.429 5.276 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CCC5)sc4C)ccc32)cc1 1238249 DKCJUKXPZHZGCT-UHFFFAOYSA-N 431.561 5.368 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccccc3)cc2c1 1327391 XQHLCRLOGHVXOW-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(C(F)(F)F)c1 1424694 GWGSPMHEJJYNKD-LJQANCHMSA-N 449.476 5.818 0 40 IKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(C(=O)OCC)cc4)coc3c2)cc1 2152883 RYWPHFHPDDCDJV-UHFFFAOYSA-N 442.467 5.984 0 40 IKAB biogenic Fc1ccccc1[C@H]1Oc2ccc(Cl)cc2C2=C1[C@@H](c1cccs1)N1NC=NC1=N2 2247525 BBVYPBPYLMIYJS-NHCUHLMSSA-N 436.899 5.345 0 40 IKAB Cc1ccc(-c2nnc(Nc3cccc4ccccc34)c3ccccc23)cc1S(N)(=O)=O 2320974 OMOBNKDKRLQMGV-UHFFFAOYSA-N 440.528 5.149 0 40 IKAB COc1cc(OC)cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 2621867 RLXAZRYTLRKKIR-JOCHJYFZSA-N 439.895 5.202 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H]2CCCc3ccccc32)cc1 2663690 AANDXKCPSIULLW-XMMPIXPASA-N 438.596 6.522 0 40 IKAB O=C(Nc1ccccc1Cl)c1cccc(OC(=S)Nc2ccc3ccccc3c2)c1 3088495 KCBHQWMHDCUOCP-UHFFFAOYSA-N 432.932 6.521 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3182936 ZLWQGNABQLEYHG-IGKIAQTJSA-N 448.570 5.296 0 40 IKAB COc1ccc(C(=O)C[C@@H](Nc2ccc(F)cc2)c2ccc(Br)cc2)cc1 3211945 KLHWCIZPLKXNSK-OAQYLSRUSA-N 428.301 6.023 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3287237 LAJOTRYCLZLFQW-LJQANCHMSA-N 439.515 5.286 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1Cc1ccccc1 4033513 AMCZVKKROKBONS-JOCHJYFZSA-N 425.532 5.022 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 4178040 USUKRHRKFGRIRR-BYNQJWBRSA-N 430.858 5.193 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)[C@H]3CC[C@H]([C@@H](C)O)[C@@](C)(CCCO)[C@@H]3CC[C@]12C 5047821 WIGPVEOSPKDIBJ-ORXIEVKWSA-N 434.749 7.467 0 40 IKAB C1=c2ccccc2=C2C(=C(c3ccccc3)C(c3ccccc3)=NN2c2ccccc2)S1 5839820 BGHZRUTXJSNJPG-UHFFFAOYSA-N 428.560 5.615 0 40 IKAB COc1ccccc1-n1c(/C=C/c2ccc(Br)cc2)nc2ccccc2c1=O 8431751 CPLBMSFNZOHFDE-NTCAYCPXSA-N 433.305 5.327 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1Cl 8754835 NAOMEWOPXCUVGI-SFHVURJKSA-N 431.923 5.289 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F)c1ccc(Cl)cc1 8810060 BKZMHWKDLDUMKX-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9057612 PDGOEULEDVKQNC-VWLOTQADSA-N 426.545 5.505 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C 9154391 WTERGUJZEOUSIB-ZDUSSCGKSA-N 430.913 5.039 0 40 IKAB Cn1c(-c2ccc3ccccc3c2)c([C@H]2c3ccccc3C(=O)N2CC(N)=O)c2ccccc21 9289234 NARDXFAOHTYKON-MUUNZHRXSA-N 445.522 5.029 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(C)cc2)c1 9387235 AHGBLNJJTKHDIU-NHCUHLMSSA-N 430.548 5.511 0 40 IKAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 9402970 QFOWCZWTGUPCQJ-OAHLLOKOSA-N 433.021 5.289 0 40 IKAB CCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9471604 KGMTZLMDKBTIQY-UHFFFAOYSA-N 449.645 7.040 0 40 IKAB COc1ccc(-c2nc(SCC(=O)Nc3ccc(F)cc3)c(-c3ccccc3)[nH]2)cc1 9512836 GPRLIINNOBCGQN-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)Nc4ccccc4F)ccc3c2=O)cc1 9547949 IMCRZSBTOPRDCO-UHFFFAOYSA-N 449.434 5.059 0 40 IKAB CC[C@H]1CCCCN1C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 9644061 VDNYJXBMOBDQHB-OCCSQVGLSA-N 428.048 5.588 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9714374 HDDWGHVNJXKPOL-SFHVURJKSA-N 433.558 5.268 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)c2)cs1 9884357 MGBGAJKGIWEZED-HXUWFJFHSA-N 434.590 5.504 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10540915 VWZVHPRZQLRSFQ-XMMPIXPASA-N 437.499 5.196 0 40 IKAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)c1ccc2c(c1)OCO2 11692364 RZSSXYGQDNLHOF-UHFFFAOYSA-N 434.831 5.104 0 40 IKAB CCCNC(=S)N(Cc1ccc(Cl)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 12474396 JNOGTRVWQTVZCY-UHFFFAOYSA-N 428.001 5.085 0 40 IKAB FC(F)Oc1ccccc1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 12558595 XMUHMSCCOZWCMH-UHFFFAOYSA-N 436.508 7.096 0 40 IKAB COc1cc2c(cc1NC(=O)O[C@@H]1CCN3Cc4ccccc4N=C13)oc1ccccc12 12660202 PTKFADNXHNPQEW-OAQYLSRUSA-N 427.460 5.461 0 40 IKAB biogenic Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccc(C(C)C)cc4)N3C2=O)c1 12662498 WAVGGBXCHKUNRA-BDYUSTAISA-N 449.554 6.083 0 40 IKAB biogenic Cc1ccc(C(=O)N(C)Cc2ccc(-c3ccc(Cl)cc3)o2)cc1NC(=O)c1ccco1 12683727 SMSFVRFFEXOTQR-UHFFFAOYSA-N 448.906 6.026 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 12847142 IIAIGXQNFMCHGE-RTBURBONSA-N 448.876 6.066 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)cc1 13583832 VZLGDOCXBZNSML-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCCCCOc1ccccc1C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631158 HZTTWTWZOWUHFR-UHFFFAOYSA-N 430.548 6.079 0 40 IKAB O=C(C[C@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl 13730134 LQJVPJGAGWXOPY-HNNXBMFYSA-N 448.335 5.049 0 40 IKAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 13995197 IWAOIEDUFTYJGZ-RBZFPXEDSA-N 443.956 5.122 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@@H]2CCCC[C@@H]2C)c1 14075405 AKOCAXHHNBGBCQ-DOTOQJQBSA-N 446.041 6.695 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)o2)cc1OC 14086018 ZARSRFQEQIVATA-UHFFFAOYSA-N 447.516 5.152 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccccc1Cl 14273025 RDCKWTJJSYHFFK-UHFFFAOYSA-N 449.721 6.160 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 14273072 CZYXXMFXLLDUCN-SFHVURJKSA-N 442.515 6.216 0 40 IKAB O=C1C[C@H](c2ccc(C(F)(F)F)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082149 SGEXJAMMPHHDDU-CQSZACIVSA-N 435.398 5.745 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCCCC2)cc1 15478285 AJOKOSYBGSHVAG-QFIPXVFZSA-N 442.650 5.131 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1F 16195890 XVNJBHJGZAXVAZ-UHFFFAOYSA-N 429.875 5.055 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3cc4c(cc3Cl)OCO4)cc(-c3ccccc3)nc21 16477617 KDNOBOMRPMZWKS-UHFFFAOYSA-N 434.883 5.314 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccc(OC)c(F)c3)c2)cc1 19690659 YJMQQCCKWACQMX-DEOSSOPVSA-N 434.511 5.120 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)cc1Cl 20037504 BPDZXUWWCANVQW-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB O=S(=O)(NCCSCc1ccc(Cl)cc1)c1ccc(Oc2ccccc2)cc1 20040075 XDPJIRIXTMURTH-UHFFFAOYSA-N 433.982 5.344 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)c(Cl)c1 20063294 LLFHSMQQPGUHHI-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 20970091 RMIYOSNUHQFGTM-XMMPIXPASA-N 426.495 5.665 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)c1 21579104 QLYSAHKKFIPXPI-UHFFFAOYSA-N 434.320 5.451 0 40 IKAB Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1C 21882552 ZJEJUSWEPPCYNY-INIZCTEOSA-N 437.609 5.324 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 30479524 RJGMQTAQOQXVLH-UHFFFAOYSA-N 437.499 5.497 0 40 IKAB Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114976 MWACAKQNYPWEHH-UHFFFAOYSA-N 428.822 5.752 0 40 IKAB Cc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(-c5cccs5)on4)c3)n2)s1 32594156 WTDYXPMUANLKAF-UHFFFAOYSA-N 434.502 5.742 0 40 IKAB O=C(c1ccccc1CSc1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 32975839 PRROJYIBGSZGEI-UHFFFAOYSA-N 445.613 5.551 0 40 IKAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(Cl)c1 33013036 IIUSPNFKNBEUAU-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCn3c(=S)sc4ccccc43)c3ccccc3n2)cc1 36612554 HFRKVLUHEYFCCT-UHFFFAOYSA-N 442.565 6.770 0 40 IKAB O=C(c1ccc(F)cc1)N(C(=O)c1ccc(F)cc1)c1cc(C(F)(F)F)cc(Cl)n1 39404118 DZXCDLUREYMFKD-UHFFFAOYSA-N 440.755 5.519 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c(C)c1 57488694 ZUXHIDRHRSKXMU-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccc(C(C)(C)C)cc4)no3)n2)c1 65330977 AYUWQPHOWYOPMP-UHFFFAOYSA-N 448.548 5.498 0 40 IKAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 65564802 BNEWFICJRQTWNC-CYBMUJFWSA-N 434.483 5.506 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCCC1 72215629 AAANSGFYQWKNTM-QFIPXVFZSA-N 435.568 5.743 0 40 IKAB CCCN(C(=O)c1nc(-c2cccs2)oc1C)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 72300885 RCQWKQRPVFYADU-HSZRJFAPSA-N 449.551 6.196 0 40 IKAB CC[C@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 79105025 MAEXOGUDZDPSRM-LJQANCHMSA-N 439.943 6.060 0 40 IKAB COC1CCN(c2ccc(NC(=O)CCc3ccc(Cl)c(C(F)(F)F)c3)cc2)CC1 96104486 BRHMEWUNDKSCPT-UHFFFAOYSA-N 440.893 5.545 0 40 IKAB O=c1c(Sc2cc(Cl)c(Cl)cc2Cl)c(O)c2ccccc2n1-c1ccccc1 101083662 UOCZIQOMTAFQLL-UHFFFAOYSA-N 448.758 6.808 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3cccc(OC)c3)c2c1 101149322 ITGTVXFBOXULDQ-UHFFFAOYSA-N 448.544 5.527 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3)nc2c1 107873367 SGLFHGBZXMMFLR-UHFFFAOYSA-N 436.511 7.186 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc12 215110900 NQFCGAQSYWULJR-KEBDBYFISA-N 427.884 5.877 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220703669 POQICPMQIWYSGM-SFHVURJKSA-N 443.396 5.102 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 222623800 SKIGSZINOSZADX-KPOBHBOGSA-N 428.483 5.480 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 222760754 RRISJSKLUYUJHI-MOPGFXCFSA-N 428.355 5.015 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222896455 BZJZWBYIBMKZOS-LJQANCHMSA-N 426.576 5.214 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222938997 WRWGYSCEIZRZMA-NHCUHLMSSA-N 446.403 6.277 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222988668 XZZDYVXXHBTAKU-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)(C)C)c(Br)c1 223704270 LUXLUONLAKMZAP-UHFFFAOYSA-N 448.401 5.444 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 223807867 SUULLWKERHGGLB-XMMPIXPASA-N 443.031 5.559 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)c1 223947476 KFOMSNTZSNAOCC-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224054464 NOAAVWPYIIYTNU-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067205 NIWKKBFUCZGFMT-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1OC 224241212 GCCXVPSICYYUMV-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224324568 QJHNXAQMPHSKEM-RTBURBONSA-N 444.423 5.645 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COCc1ccccc1 224747213 LVDMCMHMLJYORG-UHFFFAOYSA-N 440.337 5.817 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1C 224950529 ZHXPNAXDOXLARB-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225066198 QVCMDUWQAMDCBA-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 225182874 NEJLQGUWSIWPHO-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225345532 ZSVZQGRVMNRQBP-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225749083 OALUTDSMMMEGHE-VGSWGCGISA-N 449.422 5.566 0 40 IKAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2)n1 225928353 AZEMANSKOVAAPW-SFHVURJKSA-N 433.581 5.134 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 257294045 QSFKJTMKQIFPIK-DEOSSOPVSA-N 438.930 5.695 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@@]12C 257752786 ZCBDFGFNCFLBOL-HGKXYCPESA-N 426.729 8.335 0 40 IKAB CCCOc1ccc(/C=C/C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 408568656 VVVVJIVKRBIUMI-GZTJUZNOSA-N 444.527 5.980 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(Cl)c2)cc1 408700206 ZLYMOBGLRIRXBY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Br)c1O[C@@H](C)CC 409094453 DEZJIPKRTWKDQQ-KBVGCWLLSA-N 428.348 5.081 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccccc3C(C)C)cc2)S(C)(=O)=O)cc1 409133346 SNCNYWSLNSCPHS-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409199510 DFWNHOLISFTTCU-YBFXNURJSA-N 439.876 5.848 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccc(Cl)cc3Cl)cc2)CC1 409230159 CBKKEDRKTZPDIS-UHFFFAOYSA-N 437.392 5.418 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037846848 ZWAJDFMNMNYVFB-QGZVFWFLSA-N 437.902 5.559 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 885062 GWKPPOTZQQHUSV-QFIPXVFZSA-N 449.620 5.140 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1 907251 ZPJAHQKIBMBWOR-UHFFFAOYSA-N 444.516 5.028 0 40 IKAB COc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 1061692 TWANAVBGNMNUGF-UHFFFAOYSA-N 449.557 5.288 0 40 IKAB CC(C)(C)c1ccc(CON2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1 1383946 BHUKKPQREMVXPO-HDLCADABSA-N 437.539 5.308 0 40 IKAB CCOC(=O)c1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(Cl)cc23)cc1 1791677 ZHVMEZPHBSDPBH-HPNDGRJYSA-N 433.891 6.171 0 40 IKAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc2c(cc1Cl)OCO2 1902828 VBJOCPDELSVZNP-UHFFFAOYSA-N 448.902 6.374 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc12 2184829 JTMPXRVVRDOHMQ-UHFFFAOYSA-N 443.565 5.814 0 40 IKAB CCc1nc(SCC(=O)c2ccc(Br)cc2)c2c3c(sc2n1)CCC3 2236105 LHPIZOZURATWHT-UHFFFAOYSA-N 433.396 5.480 0 40 IKAB CCO[P@@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccccc1)c1ccccc1 2352642 SOJKJWFQCFBEPQ-JRPXNJEYSA-N 441.336 6.133 0 40 IKAB CCc1ccc2nc(NC(=O)CCc3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)sc2c1 2633338 KPZGZTMRAXHTTK-UHFFFAOYSA-N 438.637 6.731 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(C)c(C)c3)cn(Cc3ccc(F)cc3)c2cc1OC 2691633 RYGAVWZRGXQDSW-UHFFFAOYSA-N 445.490 5.054 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)nc2ccc(Br)cc12 2758540 NWQYHSPESRLCFZ-UHFFFAOYSA-N 447.288 5.645 0 40 IKAB Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1nccs1 2951303 ABCDRMTVEBQTRA-NMWGTECJSA-N 440.322 5.445 0 40 IKAB Cc1ccc(Oc2c(COC(=O)c3ccc(Cl)cc3)c(-c3ccccc3)nn2C)cc1 3135108 JVLPJLXEYRDVBT-UHFFFAOYSA-N 432.907 6.198 0 40 IKAB Cc1ccc(C(=O)C[C@H](Nc2cccc(Br)c2)c2ccc(Cl)cc2)cc1 3168696 HOSCNGAMVAHOPY-NRFANRHFSA-N 428.757 6.837 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cc(Cl)ccc1Cl 3216280 FVVYLVPQXSANAT-UHFFFAOYSA-N 428.271 5.413 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(Br)o1 3232723 XSXZLLILDAYIDM-UHFFFAOYSA-N 430.279 5.028 0 40 IKAB S=C(Nc1cccnc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 3243386 TYTUAGXPFZJIEF-UHFFFAOYSA-N 449.583 5.989 0 40 IKAB CCCCNC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CCCC2 3263130 XKDNCAXZSDUUHN-UHFFFAOYSA-N 434.989 5.136 0 40 IKAB Fc1ccccc1Nc1nnc(SCc2cn3cc(Br)ccc3n2)s1 3264550 JPVRTWUALGLVJQ-UHFFFAOYSA-N 436.335 5.123 0 40 IKAB O[C@]1(c2cccs2)c2cccc(Cl)c2[C@@](O)(c2cccs2)c2cccc(Cl)c21 8453469 CQLPZIXZXBMJOU-VXKWHMMOSA-N 445.392 5.998 0 40 IKAB COCCCNC(=O)CCc1c(C)c2cc3c(-c4ccccc4)c(C)oc3c(C)c2oc1=O 8791382 ZNCQNJILTIDJPD-UHFFFAOYSA-N 447.531 5.217 0 40 IKAB biogenic Cc1ccc(C)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 9064750 ABDCYLZJGRPZCE-JXMROGBWSA-N 445.371 6.397 0 40 IKAB CCc1ccc([C@@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 9124607 GTOPPSCKTHUNCR-RUZDIDTESA-N 438.531 5.102 0 40 IKAB CCCC[C@H](C(=O)Nc1ccc(Oc2ccccc2C)cc1)N1C(=O)c2ccccc2C1=O 9202239 RASKOVJZYBOCMS-HSZRJFAPSA-N 442.515 5.581 0 40 IKAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 9335559 BSCUXQPXYKSCIZ-MRXNPFEDSA-N 449.963 5.009 0 40 IKAB CCc1ccc(OCCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 9459681 FNRJECPWTHEIEM-UHFFFAOYSA-N 442.559 5.884 0 40 IKAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 9615726 QGOWWDRKRZQWHQ-UHFFFAOYSA-N 438.937 5.204 0 40 IKAB Cc1ccc2c(CC(=O)OCC(=O)Nc3c(Cl)cccc3C(F)(F)F)coc2c1 9635092 YZAHCEJTQUINMZ-UHFFFAOYSA-N 425.790 5.138 0 40 IKAB CCCCc1ccc(Nc2nc(Nc3ccc(CC)cc3)nc(N3CCOCC3)n2)cc1 9708860 DAORVEQSDJSGPM-UHFFFAOYSA-N 432.572 5.100 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)cc2n1 12276485 BSUIEGRABBCZIX-CQSZACIVSA-N 436.503 5.009 0 40 IKAB O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccc2c(c1)OCCO2 12500120 ALYBGBFZPPWHMD-UHFFFAOYSA-N 434.561 5.470 0 40 IKAB C[C@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)Nc1cccc2ccccc12 12592989 WMJOHMZQOYEHEA-ZDUSSCGKSA-N 441.578 6.075 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCCOc3ccccc3)[C@@H]2c2cccs2)cc1 12630553 YIZFEFYPIFJWLF-XUZZJYLKSA-N 435.545 5.163 0 40 IKAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)cc1Cl 12758975 IYOCRXKIZOGQGB-HSZRJFAPSA-N 442.968 5.005 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3cc(C)c(C)cc3cc2CC)ccc1C 13503583 ZQXOSKNDWIXQMQ-UHFFFAOYSA-N 435.593 5.802 0 40 IKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc2ccccc2c1 13566459 VIPOOQFJDUTMHY-UHFFFAOYSA-N 445.594 6.457 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)s1 14405068 CVXGKJUQGRHGMP-UHFFFAOYSA-N 430.533 5.364 0 40 IKAB Cc1cccc(C)c1NC1=NC(=S)N(c2cccc(C(F)(F)F)c2)C12CCCCC2 15636760 ZWHLQZUKPUFHIR-UHFFFAOYSA-N 431.527 6.641 0 40 IKAB COc1cc(CNC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195629 DKGFHAAVKJJVKH-INIZCTEOSA-N 430.759 5.503 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)Nc2cccc(Cl)c2)cc1 16248448 UIZJVPMWKBJRRV-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1 16736778 PPJLHFFECZMINH-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17096338 UIGNOOMMGOOLJS-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)nc2c1 17096953 VUEBSZVNPOKABX-INIZCTEOSA-N 430.504 6.278 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 17101250 CLGSWKYWAGWRLI-NSHDSACASA-N 437.417 6.848 0 40 IKAB C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Oc4ccc(Br)cc4)cc3)C(=O)[C@@H]2C1 17986770 LDALHFVGDABISL-JSNMRZPZSA-N 443.341 5.032 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccccc1 19856089 OGKKMIDKGWDOGJ-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(Br)cc2)cc1 20047953 CSFJCLMNJNJTOZ-FQEVSTJZSA-N 436.415 5.595 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20241899 QXDAUYFCJBLGHX-UHFFFAOYSA-N 428.576 5.792 0 40 IKAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O 21936155 VUHSNAVHHDKHNF-WOJBJXKFSA-N 448.592 5.213 0 40 IKAB COc1ccc(CN2CCN(C(=O)c3ccccc3SCc3ccsc3)CC2)cc1 22385654 SWXHFGCZJFGTLH-UHFFFAOYSA-N 438.618 5.007 0 40 IKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc3c(c2)OCCO3)cc1 22699060 QHKBBLKUMKRAOP-UHFFFAOYSA-N 431.444 5.141 0 40 IKAB biogenic CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ccnn2Cc2ccccc2Cl)cc1 24837033 VXMLCBAGCCAKKX-UHFFFAOYSA-N 440.931 5.113 0 40 IKAB CCc1ccc(N(C(=O)[C@H]2CC(=O)Nc3ccccc32)c2nc3ccccc3s2)cc1 24905898 CLFRCIRNQIZGRO-IBGZPJMESA-N 427.529 5.649 0 40 IKAB CC(=O)[C@@H](CN(CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841583 WLJJKQXSWXBIGG-NOZRDPDXSA-N 449.591 5.450 0 40 IKAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)cc1 33327398 VTZVWHTZBTXDBC-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC1=C[C@@H](CNC(=O)c2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 35442819 NAUNITPWQLYYEM-ONTIZHBOSA-N 448.542 5.098 0 40 IKAB biogenic,in-vitro O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2ccc(Cl)cc2Cl)cc1 36612031 GQKCHRYHLGXLIQ-UHFFFAOYSA-N 438.314 6.010 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 39404543 OBLRYJOBGAYEPF-MHCOWZRKSA-N 443.497 6.793 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)NCc1csc(-c2ccccc2)n1 40049214 JWURBIKACBTOLE-UHFFFAOYSA-N 436.562 5.032 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C 44856682 PETWZJNBMRDFFY-HSZRJFAPSA-N 443.429 5.545 0 40 IKAB CCCN(CC(=O)c1cc(C)n(Cc2ccccc2)c1C)Cc1nnc(-c2cccs2)o1 57358745 OGOAFHUNKUPVHQ-UHFFFAOYSA-N 448.592 5.360 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1 57487404 ZAZCBWYGUJZWOU-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccc2noc(-c3ccccc3)c2c1 57868254 XMZUTAXQHWITOU-UHFFFAOYSA-N 431.835 5.555 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2CCC(C)C)cc1 67238222 JUXTXZCPZGYSGC-UHFFFAOYSA-N 440.613 5.153 0 40 IKAB Nc1c(Br)cc2nc(-c3cccc(Cl)c3Cl)oc2c1Br 70461361 KOHNLNFUTJWNPM-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1Cl 71761806 UOESYQOIJJGYMY-UHFFFAOYSA-N 438.018 5.022 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72215074 NHHKNAUZSJXDIH-QFIPXVFZSA-N 437.584 5.991 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72215078 XAMHTKJNHKJHKI-UHFFFAOYSA-N 449.592 5.501 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1cccc(CS(=O)(=O)C2CCCCC2)c1 78993861 SOFJTISREZMVMA-UHFFFAOYSA-N 440.392 5.422 0 40 IKAB C[C@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@@H]3[C@@H]2c2cccs2)C1 110518625 MZIWRSXHNVMYEY-JSGMVNSGSA-N 439.650 5.665 0 40 IKAB O=C(NCCCc1ccc(F)cc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219962149 HUFUXJOXSYOYMN-UHFFFAOYSA-N 444.594 5.643 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222553604 KEOOENFYHUGLNN-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 222631275 ZDEOIUGNZYMWGO-CFGAKRJMSA-N 430.360 6.238 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C 222709692 GHQZKHVPIYOWJQ-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C 223470824 KZZCTQOJQMHRCB-LJQANCHMSA-N 443.429 5.464 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 223978715 IBDTVAAZSRPTEC-GOSISDBHSA-N 443.060 5.912 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COc1ccccc1C 224377119 ZLWZDQOFQPGADT-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1Cl 224964471 IJQYQTGXBDJURZ-SFTDATJTSA-N 426.973 5.303 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)CCc3ccccc3)n2)cc1 225201077 VZRHGRSFMZHTLL-KRWDZBQOSA-N 435.597 5.235 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225333604 QJQSYSCKKXILIW-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225365468 CZIWNSQBUANSME-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1 225559227 FFCHFEWFQPFCNT-UHFFFAOYSA-N 438.612 5.647 0 40 IKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225707670 IXRMBONRYSRESA-HXUWFJFHSA-N 444.644 6.880 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(Cl)ccc1OCc1ccccc1 408586228 MAGMHYGLMHJUDY-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1cc2c(ccc3ccccc32)o1 408616546 ZLMRLFIIMUXVRF-UHFFFAOYSA-N 430.356 6.556 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cccc(Cl)c1 409103740 FIZMULXDBZCZRO-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)c2ccccc21 409121504 XMUHEYHSXHMRBE-NDENLUEZSA-N 437.898 5.974 0 40 IKAB Brc1ccc(Br)c(-c2ccc(-c3nc4ccccc4s3)o2)c1 409194211 PCHVIWLKXNHPPQ-UHFFFAOYSA-N 435.140 6.748 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c2ccccc21 409343919 DUORELNPMUUVLO-XKZIYDEJSA-N 447.560 5.460 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1C 409352141 YVXOUTBCBUZLHT-CAOOACKPSA-N 435.332 5.285 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c(C)c1 409374639 VOGAMSANRWYSNP-RQZCQDPDSA-N 449.359 5.594 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(Cc3ccccc3)n2)c1 585264491 DRSUPTOAUHEPEH-UHFFFAOYSA-N 430.479 5.430 0 40 IKAB O=C(CCSc1nnc2ccccn12)Nc1ccc(-c2nc3ccccc3s2)cc1 630211 XWARXTGYSFPPIG-UHFFFAOYSA-N 431.546 5.127 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 842365 UFFHDFMJONUQGP-UHFFFAOYSA-N 437.293 5.908 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)cc1 873226 FLGFKCUPDLJPDT-MRXNPFEDSA-N 449.967 5.410 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)c1 901375 OCFIDDNDVQZKAH-UHFFFAOYSA-N 437.468 5.157 0 40 IKAB CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nnc(-c2cc(OC)cc(OC)c2)s1 1356602 IPBYYNNSPKJMSG-UHFFFAOYSA-N 425.554 5.187 0 40 IKAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)n2)c1 1360406 QWCSYTLWPHDBCR-QHCPKHFHSA-N 439.515 5.432 0 40 IKAB COC(=O)N1CC[C@H](Sc2ccccc2)[C@]2(CCSc3ccccc3)CCC=C12 1623120 QUCPPNXNVVBRLL-UPVQGACJSA-N 425.619 6.466 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)c1 1770042 WWHRLYJPQUAASX-UHFFFAOYSA-N 444.380 6.631 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1909637 FGCONHCKASSTGI-HNNXBMFYSA-N 429.582 5.507 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2ccc(C)cc2)c2ccc(OC(=O)c3ccc(C)cc3)cc21 2063144 QSPPDWFHQIRTMF-UHFFFAOYSA-N 425.528 6.365 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)c12 2091929 IHXZIZYQNSLXMC-UHFFFAOYSA-N 447.531 5.514 0 40 IKAB biogenic O=C(CCCC(=O)OCC(=O)c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 2191088 QMRKMAWJEOMKLV-UHFFFAOYSA-N 445.796 5.033 0 40 IKAB O=c1cc(-c2ccccc2)c2c(OCc3ccccc3)cc(OCc3ccccc3)cc2o1 2350873 LGYLCMNQOPQAFS-UHFFFAOYSA-N 434.491 6.618 0 40 IKAB biogenic O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2355973 BGGFYTKFPPYAMQ-UHFFFAOYSA-N 432.570 5.843 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 2420436 IZCPYBGYFBVIRV-QZTJIDSGSA-N 437.862 5.062 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccccc2F)cc1 2422711 QGAOYIURRXWNBE-XMMPIXPASA-N 443.474 5.037 0 40 IKAB CCCCOCCCn1c(-c2ccc(Cl)cc2Cl)nc2nc3ccccc3nc21 2435420 UJWWQIXYDLVJMY-UHFFFAOYSA-N 429.351 6.160 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccccc4C(C)(C)C)ncnc32)cc1 2451420 MDLGLGNNFHREKN-UHFFFAOYSA-N 431.565 5.152 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 3011670 UZGOJTOBRWJVAI-AZUAARDMSA-N 444.457 5.421 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)NC(c1ccccc1)c1ccccc1 3344582 NKDLVKJLVNXZNX-UHFFFAOYSA-N 428.557 6.103 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)n2N)cc1 3440510 WFDMUUIVCUXOSZ-QFIPXVFZSA-N 443.576 5.056 0 40 IKAB COc1cc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc(OC)c1OC 3655302 ZYXLITMRQYTLFG-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)OCc1ccc(Cl)cc1 3770812 NWPRDWZCLACYNU-UHFFFAOYSA-N 429.259 6.256 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c1C 3770813 UKFNUZOEUDTULO-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 6134462 PTIGEORDGJDLIH-LJQANCHMSA-N 429.495 5.143 0 40 IKAB Cc1ccc(CSc2nc3ccc(NC(=O)COc4ccccc4F)cc3s2)cc1 8673852 CULFYAPPGRHHLN-UHFFFAOYSA-N 438.549 6.054 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 8756357 QGGLWIVMABUOAC-UHFFFAOYSA-N 447.623 5.786 0 40 IKAB O=C(CCSc1ccc(F)c(F)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8897982 QJJUFPWXCYDOOC-UHFFFAOYSA-N 428.508 5.071 0 40 IKAB O=C(C[C@@H](NC(=S)N1CCC(Cc2ccccc2)CC1)c1ccccc1)c1ccccc1 9185602 PTCKNKVOIGMCPU-AREMUKBSSA-N 442.628 5.830 0 40 IKAB Cc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 9309152 ONGHXJGCPDVUAE-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB COC(=O)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 9325653 QYCNTHRLRFSZNP-UHFFFAOYSA-N 449.557 5.402 0 40 IKAB O=C(CSc1nc(-c2ccccc2F)n[nH]1)Nc1c(Cl)cccc1C(F)(F)F 9349350 OLMUDVDCVLVIGZ-UHFFFAOYSA-N 430.814 5.014 0 40 IKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)cc1C 9391937 RSFDNCBKSGZHSK-UHFFFAOYSA-N 449.019 6.634 0 40 IKAB Cn1c(NC(=O)c2ccccc2F)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9450857 ARZPANBLCKKUBJ-UHFFFAOYSA-N 440.396 5.616 0 40 IKAB Cc1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)c(C)c1 9458324 OMQAULBCOIEZJL-GXDHUFHOSA-N 431.333 5.935 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC(c2nc3ccccc3s2)CC1 9669606 VZPXCQCXFUIEAM-UHFFFAOYSA-N 428.941 5.131 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 9725460 WHNLMZJMFGCYTK-RUZDIDTESA-N 446.978 5.406 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccccc1Cl 9959716 CKUBACIALFXNTP-UHFFFAOYSA-N 436.895 5.208 0 40 IKAB O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1cccc(Cl)c1 10059906 ZNVCJMVMBGBPSU-UHFFFAOYSA-N 445.914 5.063 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1C 10219990 PPQYKMXLIQSJMS-UHFFFAOYSA-N 429.314 5.129 0 40 IKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN23)cc1 12195737 UJYHWDBTVWNJPQ-SQHAQQRYSA-N 444.531 5.735 0 40 IKAB CN1/C(=C2\C=NN(c3ccccc3)[P@@]2(=O)N2CCCCCC2)C(C)(C)c2ccccc21 12524647 VJDGURYMBYYUJH-DHFLNJHPSA-N 434.524 6.201 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 12565305 GZXFFNQSLCKXMO-DEOSSOPVSA-N 438.310 6.185 0 40 IKAB Cc1nc(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)n(C2CCCC2)c1C 12600125 KUVUHQIONMVKHR-UHFFFAOYSA-N 436.606 5.872 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)CC(=O)N(c1ccccc1)C1CCCCC1 13041269 GFMAWGNWMPGISN-UHFFFAOYSA-N 448.394 5.230 0 40 IKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(-c2ccncc2)nc2ccccc12 13126952 YHOGVJFPANMUES-UHFFFAOYSA-N 436.559 5.559 0 40 IKAB CCN(C(=O)COC(=O)c1cc2nc(Nc3ccccc3)sc2s1)c1ccccc1 13129261 UIVSQEVYSFBMOB-UHFFFAOYSA-N 437.546 5.311 0 40 IKAB CN1C[C@H](c2ccccc2)[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)C1 13397886 GDBDLBPXGKPWAX-YADHBBJMSA-N 426.343 6.314 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1OCc1ccccc1 13687349 PNNIAQHTWCHUNW-UHFFFAOYSA-N 428.532 5.534 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(OCc2ccccc2Cl)cc1 13687836 NHVKJDMBOZBFLH-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1)C12CC3CC(CC(C3)C1)C2 14406324 HXMIXEGHWNRUHK-UHFFFAOYSA-N 432.564 6.771 0 40 IKAB Cc1oc2ccccc2c1-c1cs/c(=N\S(=O)(=O)c2ccccc2)n1-c1ccccc1 16696073 PZMNMBONEFBLIY-IZHYLOQSSA-N 446.553 5.550 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc([C@H](C)CC)cc4)c3)nc2c1 17095929 ADSDQDZBCSXQDR-GOSISDBHSA-N 428.532 6.588 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CCc4ccncc4)C3)noc2n1 19452008 OUTSZPPAKKBYKS-MRXNPFEDSA-N 446.473 5.099 0 40 IKAB CC(C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)(c1ccccc1)c1ccccc1 19644612 RAVVMQGBCZJBBF-UHFFFAOYSA-N 446.506 5.432 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(Cl)c2)o1 20140228 NCZREIMNWSTVCO-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(Cl)c3)oc12 20285532 LMPLOWPNIUKJMT-GYHWCHFESA-N 425.893 5.160 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@@H]1CCCC[C@H]21 20296010 MAXLXFSSOLYCRP-UZINWLIJSA-N 447.531 6.003 0 40 IKAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(Cl)c2)C4)c1 20796203 HBJIULQCYHHYIJ-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cc(C)ccc2C)cc1 22275468 FEYIAXRFIUIHMG-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N(Cc1ccccc1)c1nc2c(s1)CCCC2 23362547 HWHBDLHRSDBJQT-HXUWFJFHSA-N 445.588 5.146 0 40 IKAB Cc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c(C)c1 24249887 UHWHYRVYIXKDAA-UHFFFAOYSA-N 427.348 5.779 0 40 IKAB Cc1ccccc1Nc1nnc(SCc2cc(=O)n3c(n2)sc2ccccc23)s1 24715723 YLQAJOUZHKAVRR-UHFFFAOYSA-N 437.575 5.105 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 26124674 ICSSGXMQXZCQMH-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB O=C(Nc1cccc(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccc(Cl)cc1 27525434 FXRUPDHTMRRRLE-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB COCC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 31138556 CKIUYDWJKKEVCP-UHFFFAOYSA-N 428.410 5.210 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cc(C)ccc2C)cc1 33736482 XCJKHCQTQXRKJA-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB O=C(CNc1ccc2oc3ccccc3c2c1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 39972119 NVNWJKINZRAHSR-QFIPXVFZSA-N 442.515 5.523 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)cc1C 44856673 ZHTGTJLSOFPEFX-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB CCCCOc1c(OC)cccc1[C@H]1SCC(O)=Nc2c1c(C)nn2-c1ccccn1 44921625 QMTZUKYAMAMQDO-JOCHJYFZSA-N 438.553 5.187 0 40 IKAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)NCCc1c[nH]c2ccc(Cl)cc12 44922093 KPIYGUKNJZFJQA-UHFFFAOYSA-N 427.935 5.802 0 40 IKAB C[C@@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1F 57452442 UALUEOHVMCIOCF-YJYMSZOUSA-N 433.346 5.356 0 40 IKAB S=c1oc([C@@H]2COc3ccccc3O2)nn1CN(Cc1ccccc1)Cc1ccccc1 58164436 OOJDUGLMCNMSSU-QHCPKHFHSA-N 445.544 5.378 0 40 IKAB COc1ccc(N(C)C(=O)CC2(CC(=O)N(C)c3ccc(OC)cc3)CCCCC2)cc1 59475416 WAXCLZUKVFCNRE-UHFFFAOYSA-N 438.568 5.060 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)c(Cl)c1 67292971 IJUOCEFZLZYOPO-UZGAPFOWSA-N 435.282 5.020 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1Cc1ccccc1)C1CCCCC1 72215769 SJYPLCPLKHNMIS-RUZDIDTESA-N 449.639 6.883 0 40 IKAB COc1ccccc1OCC(=O)OCc1nc(O[C@H](C)c2ccccc2)ccc1Cl 72300969 ZDLSWCVIGOMSRT-MRXNPFEDSA-N 427.884 5.006 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037732 ZKZZJONVGIZVIK-UHFFFAOYSA-N 436.559 5.684 0 40 IKAB O=C1c2c(sc3c2CCC(Br)(Br)C3=O)N=C2CCCCC[C@@H]12 101313597 HYRJGLHHFNQNQX-MRVPVSSYSA-N 445.176 5.212 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102752128 GCVWRKJCELMRCW-NEWSRXKRSA-N 445.327 5.106 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCC(C)C 106707818 HUPDOSHBMYHHLF-XKZIYDEJSA-N 425.550 5.665 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC(F)F 106741577 LAOBREGNBMTNGX-PXNMLYILSA-N 443.830 5.326 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(-c3nc(-c4ccccc4)c4ccccc4n3)cc1)[C@H]1C=C[C@H]2C1 137017608 ZDJFZHOFQVDGPA-WNLYKICVSA-N 443.506 5.275 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1Cc1ccccc1F 214325688 VMYICYZKXKJGLE-LPYMAVHISA-N 437.467 5.780 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222504345 RJJGHXNWUMZEEW-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 223088066 HQKHZKXJXKYCSK-ZEQRLZLVSA-N 434.609 5.446 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1C(C)C 223272170 ZUYRKOSBCIDKDC-OAHLLOKOSA-N 440.436 6.544 0 40 IKAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223543742 JCEMPZHBLFSZRG-JOCHJYFZSA-N 436.640 5.293 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223703297 JCLZSHGKOLHDKR-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1S(=O)(=O)N1CCCCC1 224021587 VLNJIYAMATXBNE-UHFFFAOYSA-N 448.544 5.321 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224677587 CHAIZDWMHNOOOW-RPBOFIJWSA-N 440.572 5.698 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224877442 PXGRSUKAOCJQAE-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1F 224906574 UPMCMSPPDNSFED-ZEQRLZLVSA-N 446.526 5.636 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(F)cc3)o2)cc1 224924259 YYUFEYLFJCFWTR-QGZVFWFLSA-N 430.479 6.037 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1OCC 225060492 VPGIIKMFUKXSFE-GOSISDBHSA-N 432.520 5.227 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557209 LTOFZLLQUJZLTE-UHFFFAOYSA-N 434.407 7.321 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225609702 ATPIANDWNOMYDB-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 225650243 SBASACATQUHOBF-CQSZACIVSA-N 441.786 5.131 0 40 IKAB Brc1cc(Br)c2[nH]c(-c3ccc(-c4ccccc4)cc3)nc2c1 226342791 LAWUANGFSCRBSC-UHFFFAOYSA-N 428.127 6.422 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccc(Cl)cc21 226363612 OYURPMJEBIBDFT-UXBLZVDNSA-N 432.759 7.490 0 40 IKAB CCOC(=O)c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1 226364707 DTTSIYPXZHIALW-UHFFFAOYSA-N 429.266 5.007 0 40 IKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c1 257205096 AXQARLLYTUUNCM-UHFFFAOYSA-N 444.506 5.679 0 40 IKAB CC(C)Cc1nc(COc2cccc(Cl)c2Cl)c(C(=O)O)cc1-c1ccccc1F 257266922 MFEBYVKFTUMQSS-UHFFFAOYSA-N 448.321 6.670 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC 408624998 WKWMDMFXDKKPHC-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1CCc1ccccc1 409006397 JHPAUTGJBALXHH-KQWNVCNZSA-N 449.959 6.198 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409171402 APUODCJHUGQHJH-DGJJJGPMSA-N 436.599 7.359 0 40 IKAB COC1(COc2ccc(C)cc2C)CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CC1 585287343 MXMARDTZEGNMMM-LDNJAJMQSA-N 437.624 5.252 0 40 IKAB C[C@@H](NC(=O)c1nccnc1-c1nc2ccccc2s1)c1cccc(C(F)(F)F)c1 622657383 GZLJXNWGMWQRJX-GFCCVEGCSA-N 428.439 5.263 0 40 IKAB CCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)N(C(=O)CC)c1ccccc1-2 684697 CVKXLTVBYVCWOR-OAQYLSRUSA-N 438.578 5.207 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Br)cc3)cc2)cc1 997085 FOTZLFOLOUQLQC-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 2062660 QLLNCHHTGGNQOP-UHFFFAOYSA-N 444.490 7.062 0 40 IKAB CCOC(OCC)(c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)P(=O)(OCC)OCC 2072463 QHNISDFMQFUUQN-UHFFFAOYSA-N 444.549 6.437 0 40 IKAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Cl)c1OCc1ccc(F)cc1 2084320 OQCGUMBUCNGZMK-YVLHZVERSA-N 443.883 5.473 0 40 IKAB CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 2183011 FPLCHLZURWQISD-UHFFFAOYSA-N 448.654 5.668 0 40 IKAB Cc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC(C)(C)OC4)cc1 2183413 PZZLECFPCVIQDU-UHFFFAOYSA-N 428.623 5.745 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1F 2230274 OWUZBCQPAOPQPB-UHFFFAOYSA-N 431.579 6.639 0 40 IKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2cccc(Cl)c2)c1Cc1ccccc1 2238656 SMBVGJQAUCRTLW-UHFFFAOYSA-N 438.962 7.001 0 40 IKAB CCn1c(=O)c2c(n3c(SCCC(C)C)nnc13)-c1ccccc1CC21CCCCC1 2294033 HGQYSWLLAFOCOC-UHFFFAOYSA-N 436.625 5.474 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 2594277 AEUFEIDVRCSVSE-KRWDZBQOSA-N 446.978 8.037 0 40 IKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C(F)(F)F)c2)CC1 2714203 JYQRDNMMCOEFMJ-UHFFFAOYSA-N 436.481 6.343 0 40 IKAB Cc1ccc(C(=O)N2CC(=O)Nc3ccc(Br)cc3[C@@H]2c2ccccc2)cc1C 2724418 CFFZQEVXAVDOSD-QHCPKHFHSA-N 449.348 5.250 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 2889727 BMRWYOHGWMYDLG-UHFFFAOYSA-N 443.524 6.130 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)cc1 3063672 FJTQOMNMUIALIU-UHFFFAOYSA-N 443.830 5.622 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 3093625 PNMNZFZAHNCPRO-UHFFFAOYSA-N 445.522 6.615 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3276486 XJYSDHNHRNMNNU-AWEZNQCLSA-N 434.542 5.159 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4C)CC3)cc2)cc1Cl 4122809 RSGFVNHMFGYPON-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(-c4cc5ccccc5cc4O)o3)c(=O)oc2c1 6078547 DAVSDUSQTJJXSQ-UHFFFAOYSA-N 427.460 5.215 0 40 IKAB CCN(C(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1)c1cccc2ccccc12 6176764 TVSBUJPNNWXRLQ-UHFFFAOYSA-N 448.519 5.446 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3cc(C)ccc3C)nc(-c3ccccc3)nc12 6860493 ITNNQEBXSBHOAU-UHFFFAOYSA-N 427.573 6.207 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 8445632 VZFGFZKORYMRPW-UHFFFAOYSA-N 438.980 6.483 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 8837573 PZZQAYBEEYXVLQ-OXJNMPFZSA-N 433.371 5.339 0 40 IKAB Ic1ccc(-c2nnc(SCc3cccc4ccccc34)o2)cc1 9200248 CQKWMIFLTFOCOS-UHFFFAOYSA-N 444.297 5.787 0 40 IKAB COc1cc(CN(C)C(=O)Cc2coc3ccc4ccccc4c23)ccc1OC(F)F 9283978 MCMZVZSHJDFSPN-UHFFFAOYSA-N 425.431 5.397 0 40 IKAB C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@](O)(c2ccccc2)[C@@H]1C(=O)c1ccccc1 9348761 WXOFSVGQZXAZRK-RTOKGZNSSA-N 444.574 6.819 0 40 IKAB Cc1ccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc23)cc1 9408845 CPERXROXNVCFID-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc(-c3ccccc3)c2C)c1 9635845 QATOVTYZGKIHKU-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)cc(Cl)c1 9663783 QATXGUXIVRORIZ-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB Cc1ccc(NC(=O)CN2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1 10139808 GKQDJORWIWPPBP-UHFFFAOYSA-N 426.358 5.057 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cccc(NC(=O)c2cccs2)c1 11526130 XBZROKYIKCKPSK-UHFFFAOYSA-N 431.473 5.098 0 40 IKAB COc1ccc(CC(=O)N2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc1OC 12185227 CRXSZYNDLMWFEN-SFHVURJKSA-N 426.538 5.107 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 12195822 FBNCKCALIKJOOQ-ISKFKSNPSA-N 439.342 6.634 0 40 IKAB O=C(Nc1ccccc1C(=O)NC1CCCCC1)c1ccc(C23CC4CC(CC(C4)C2)C3)o1 12375355 RGBCJZRXHUFQKX-UHFFFAOYSA-N 446.591 6.062 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccccc1OCC 12414886 CJCTWYYQCIJWNU-UHFFFAOYSA-N 445.562 5.100 0 40 IKAB COCCCn1c(SCC(=O)c2ccc(C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 12496823 SXZYXXZQHYVOPJ-UHFFFAOYSA-N 437.609 5.563 0 40 IKAB Cc1nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)nc(C)c1C 12541544 SAPQVLAWNUDUNX-IBGZPJMESA-N 440.956 5.118 0 40 IKAB COc1ccc([C@H](NC(=O)CNc2ccccc2N2CCCCC2)c2ccccc2)cc1 12577734 PIFLFGGDLBDPAU-HHHXNRCGSA-N 429.564 5.003 0 40 IKAB O=C(CN1CCc2sccc2[C@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 12686931 GBRRELZCMLQOLO-DEOSSOPVSA-N 437.634 5.386 0 40 IKAB CCOc1ccc(C2=Nc3ccc(C)cc3C(c3ccc(OCC)c(OCC)c3)=NN2)cc1 12707458 KNNOPEUWJLKYOG-UHFFFAOYSA-N 443.547 5.625 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1 13114418 QKFUADXBBVRKFJ-UHFFFAOYSA-N 442.828 5.859 0 40 IKAB O=C(CSc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1)Nc1ccc2ccccc2c1 13579716 KTVCWHCDJUJPKD-DHIUTWEWSA-N 442.540 5.026 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 13687810 GFKRINDGPCNRLG-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3Oc3ccccc3)c3ccccc3n2)cc1 13893233 WQVWHYMMDYQOMT-UHFFFAOYSA-N 446.506 6.955 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 13946117 WTDKOCYPNDUYDW-UHFFFAOYSA-N 426.907 6.042 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)CSc3nc([C@H]4CCCO4)n[nH]3)cc2)c1 14018911 UNLMIJVCVZFQLO-GOSISDBHSA-N 440.594 5.155 0 40 IKAB Cc1cccc(CC(=O)Nc2cccc(-c3ccc4nnc(-c5cccs5)n4n3)c2)c1 14055554 DGCSKELDOJQIOO-UHFFFAOYSA-N 425.517 5.009 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3ccccc3Cl)n2-c2ccc(C)cc2)c1 14356764 PGYDIUHJACSYHZ-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB CN(C(=O)c1ccccc1Br)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835519 XPGCGLUXJDMMKU-HXUWFJFHSA-N 425.351 5.854 0 40 IKAB CCc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)c(C)c2c1 15859962 RCOLCENNIXNBJM-UHFFFAOYSA-N 432.299 5.430 0 40 IKAB O=C(CN(c1ccccc1)c1n[nH]c(=S)s1)Nc1c(Cl)cc(Cl)cc1Cl 16768644 MRKYXNOGFYXYOA-UHFFFAOYSA-N 445.784 5.938 0 40 IKAB O=C1C[C@H](c2cccs2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 18066388 UWDOKHQLXRZYTL-QGZVFWFLSA-N 449.539 5.805 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccccc1F 19635028 NUQLNEOKBCYTFB-UHFFFAOYSA-N 441.940 5.883 0 40 IKAB CCOc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19647868 DYPGOOWQUOSTJL-QLXKLKPCSA-N 448.588 5.257 0 40 IKAB COc1ccc(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)cc1OC 19691103 KBBQKVFCLCGFEY-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Oc4ccccc4)cc3)ccc21 22509062 TUOLJPCNKILRRK-UHFFFAOYSA-N 442.540 6.408 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C)cc1 22532278 NUCVVAUYUCCSDI-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB CCOc1cc(CN[C@@H](C)c2ccc(Br)cc2)cc(Br)c1OC 22783612 KVANQRXQWWZWBU-LBPRGKRZSA-N 443.179 5.470 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(O)c2)c2ccccc2)c1C 26770792 MXJPAMOZJXFMSA-XMMPIXPASA-N 428.557 6.524 0 40 IKAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 28189044 SEAMMYBAKAPFJN-UHFFFAOYSA-N 439.924 5.303 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 32107181 DNTWKGMDVBSGNC-AREMUKBSSA-N 446.572 5.154 0 40 IKAB CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)c1ccccc1C 32753825 PZMUVKMQJIBPAQ-UHFFFAOYSA-N 447.542 5.517 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)c1ccc(Br)s1 32947412 QCCFFHPRDGQMIG-UHFFFAOYSA-N 449.395 5.311 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 35685014 FWNVGWNSPCHUKE-INIZCTEOSA-N 448.376 5.068 0 40 IKAB CCOc1ccccc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022372 JTCMBQGJRVQRED-UHFFFAOYSA-N 427.595 5.380 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(Br)ccc1Br 58824506 HHLVOCSZBNOGCV-UHFFFAOYSA-N 435.568 5.596 0 40 IKAB Cc1nnc(SCc2c(C(=O)NCCCOC3CCCCC3)oc3ccccc23)s1 65591025 ANFUHWZLQGABRG-UHFFFAOYSA-N 445.610 5.354 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)NC2(c3ccc(Br)cc3)CCC2)cc1 69417787 DUFIXYFGWKXWHB-UHFFFAOYSA-N 430.346 5.245 0 40 IKAB COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1nccn1Cc1ccccc1)CCO2 72296468 UZAIVJQTQBLRBO-AREMUKBSSA-N 439.559 5.466 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccc(C)c1 95945937 SAVBLEXTWZGEDP-VWLOTQADSA-N 449.554 5.900 0 40 IKAB CC(C)Sc1ccc(CC(=O)N2CCC[C@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119082 NSIRJEFXBRGCRG-KRWDZBQOSA-N 427.595 5.247 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@H]12 96306217 JPPPXYICMMZYFE-RBSFLKMASA-N 436.341 5.257 0 40 IKAB CCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N[C@H](c3ccc(OC)cc3)C2=C(O)C1 103890311 PRWUKRXYJYHDLH-WHLCRQNOSA-N 440.543 6.723 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(F)cc1 107616250 GRUCHBVFRYBEKD-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 223146313 XBEMDZYPGWPGCJ-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223212881 XYOXXLHMZINOLF-XMMPIXPASA-N 438.612 5.219 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 223380685 NSMLAEAXGDWTMS-DQEYMECFSA-N 430.621 5.788 0 40 IKAB O=S(=O)(Cc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 223845653 ROQXRMRJBBHSSS-UHFFFAOYSA-N 446.406 5.079 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)NCc2ccc(C(C)(C)C)cc2)c1 224076267 RMYJXSPJKRCCCX-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB COc1cc(S(=O)(=O)Nc2cc(-c3cn4ccc(C)cc4n3)ccc2C)c(C)cc1C 224137191 HLQZECYPBJCLHN-UHFFFAOYSA-N 435.549 5.044 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C(C)C 224235797 IRMKRQBPHBMZCN-UHFFFAOYSA-N 432.520 5.608 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 224309594 IRCOVYJPVSBGOU-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OC 224444286 NYPDFIUYRFZCFZ-UHFFFAOYSA-N 427.522 5.266 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl 224476335 PVXOENFIJWXMAC-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225155694 QMAKMIKKJHBTOZ-VQTJNVASSA-N 445.003 5.139 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 225671442 UAINZTVUMUIJBX-LJQANCHMSA-N 445.003 5.032 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OC 225760936 SPRJCIWCUVJYIR-KRWDZBQOSA-N 427.516 5.630 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C(F)(F)F 225779521 ZYPBJUUKSGVIOE-UHFFFAOYSA-N 448.268 5.708 0 40 IKAB C[C@@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 229798891 UTSDCHSVMLISRD-AGTLBBOYSA-N 444.604 5.892 0 40 IKAB CN(Cc1cccc2ccccc12)c1ncc(C(=O)O)c(COc2ccccc2Cl)n1 257288408 PUBGIRQBADNOFS-UHFFFAOYSA-N 433.895 5.197 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1Cl 408561318 HRYBCSYHTHQGQQ-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408696020 VCSCXPSKQGLRPD-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1SCc1ccccc1 408711296 FGQDDHMIGADZAF-UHFFFAOYSA-N 425.553 6.810 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccc(Cl)cc1 409017747 VSESTHYLMQBVTQ-PCXKXAPESA-N 445.968 6.153 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 409169695 YHVMOEZAOSTTKV-UHFFFAOYSA-N 430.529 5.212 0 40 IKAB Cc1ccc(-c2nc(NC(=O)CCC(=O)c3ccc(Br)cc3)sc2C)cc1 409206412 OBCXJXSUUUVUPA-UHFFFAOYSA-N 443.366 5.791 0 40 IKAB O=C(N[C@@H]1CCC[C@@H]1C(=O)OCc1ccccc1)OCC1c2ccccc2-c2ccccc21 498050513 JPOKHMXDQCZEFQ-AZGAKELHSA-N 441.527 5.437 0 40 IKAB CCCc1nc(CCc2cc(OC)ccc2OC)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265540 SDANSAKVIXJKFZ-UHFFFAOYSA-N 439.939 5.855 0 40 IKAB CCN1CCCCN(C(=O)CCC2CCCC2)[C@@H](C(C)C)COc2ccccc2C1=O 643567123 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CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1OCC 2620658 HYJHMIXBUDQQDJ-UHFFFAOYSA-N 433.530 5.019 0 40 IKAB COc1ccc(OC)c(/C=C/C(=O)N(c2nc3ccccc3s2)c2ccccc2C)c1 2658944 PSLUMPXIPITFOH-NTCAYCPXSA-N 430.529 6.000 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041227 ZOYBTPOTXMEQFG-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)c1cccc(C(=O)N(Cc2ccccc2)C(C)C)c1 4348038 IUGCIUAZVBKVJE-UHFFFAOYSA-N 428.576 5.788 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@H](O)C(F)F)CC[C@@H]32)C1 4804036 ITDMQPFKAISKOA-VTBDHJHASA-N 440.571 5.162 0 40 IKAB N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O 4963602 VUGRSCSBFOUEBX-AREMUKBSSA-N 439.580 5.791 0 40 IKAB COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1OCc1ccccc1 8425566 SLMZIICCWYQQFZ-KQWNVCNZSA-N 441.527 5.916 0 40 IKAB CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 8734898 RTLFYLIWGKQDDE-SANMLTNESA-N 436.515 5.251 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1C 8762516 MKYQIWGSMXQQEW-SFHVURJKSA-N 429.545 6.140 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)cc2Cl)CC1 8831754 DNBACPLDXKMMQO-UHFFFAOYSA-N 446.016 5.490 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccc(OCc2ccccc2)cc1 8984365 BKNWBZBEQTWBCM-RBTNQOKQSA-N 434.539 6.593 0 40 IKAB Cc1ccccc1OCc1n[nH]c(SCC(=O)Nc2ccc(-c3ccccc3)cc2)n1 9057893 KDMUIRQRUBXCIH-UHFFFAOYSA-N 430.533 5.090 0 40 IKAB Cn1c(-c2ccc3ccccc3c2)c([C@H]2c3ccccc3C(=O)N2CC(=O)O)c2ccccc21 9189903 SFFNIICXTUHWHH-MUUNZHRXSA-N 446.506 5.628 0 40 IKAB CCCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355603 GBSKHQJWIVEOGS-SIBVEZHUSA-N 431.580 5.578 0 40 IKAB COc1cccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccccc3)cs2)c1 9591776 GZJYOBWIFWCOGR-UHFFFAOYSA-N 434.590 5.628 0 40 IKAB O=C(Cc1csc(NC(=O)c2ccccc2)n1)Nc1ccc(Oc2ccccc2)cc1 9627741 JYXQRACFVXRRQA-UHFFFAOYSA-N 429.501 5.369 0 40 IKAB O=C(Cc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccccc1C(F)(F)F 9627881 AKPMLMPYNNTFIV-UHFFFAOYSA-N 439.846 5.249 0 40 IKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(C)c(Cl)c4)c3c2cc1OC 9675996 PGBXRWLRGAPKLU-UHFFFAOYSA-N 447.897 6.359 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 10337900 VPTPQRYPWUKWEW-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 10537005 NJQIBGDPGLWNMT-NDEPHWFRSA-N 449.510 5.059 0 40 IKAB CCCCOc1cc(C)c(C(C)C)cc1S(=O)(=O)N1CCN(c2ccccc2C)CC1 11566027 SYKZVHUBXGIRAH-UHFFFAOYSA-N 444.641 5.117 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12139336 LESINVYDMJFLPO-HXUWFJFHSA-N 441.600 5.973 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\Nc3cccc4c3CCCC4)c3ccccc3C2=O)cc1 12311945 KZTXRCWXAFUIGW-BWAHOGKJSA-N 438.527 5.604 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3c(F)cccc3F)n2)cc1 12442162 SGZVAFIMFOEBOY-UHFFFAOYSA-N 440.475 5.233 0 40 IKAB C[C@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1cccc(Cl)c1 12650036 RQDOOMWDEVNSAS-LBPRGKRZSA-N 442.949 5.862 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(CN2C[C@@H](C)C[C@@H](C)C2)cs1 12740915 CKPJOLDTPGYFHV-GASCZTMLSA-N 426.611 5.305 0 40 IKAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 12773894 VRWNQBTZKXLNGE-LBPRGKRZSA-N 444.347 5.242 0 40 IKAB Cc1ccc(-c2csc3nc(CSc4nnc(NCC(C)C)s4)[nH]c(=O)c23)s1 12818937 NXXAAOHAKOFXAZ-UHFFFAOYSA-N 449.652 5.233 0 40 IKAB Cc1[nH]c2ccccc2c1CCN(Cc1cccnc1)C(=S)Nc1ccc(Cl)cc1 13283328 VBXPOPUXUDRRAK-UHFFFAOYSA-N 434.996 5.966 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](Cc3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 13303633 OXLKVVAPTOWHKX-NZJKTDFXSA-N 443.978 6.944 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 13749038 GWFDKPXTLMKEHJ-ZJOUEHCJSA-N 439.298 5.045 0 40 IKAB CCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1cccs1 13805737 KHHRIIAETUVFOG-XMMPIXPASA-N 434.045 6.348 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 14030980 GDDFBKXPWGMZTE-UHFFFAOYSA-N 438.549 5.145 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 14155384 HTFUEXZZMAIJBW-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)cc1C 14663944 DXSNUCRNLILEBP-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CN1c2ccc(Cl)cc2[C@H]2c3ccccc3CCN2[C@H]1c1ccc(Br)cc1 15981519 AMGMZTUVAGELMP-PKTZIBPZSA-N 439.784 6.199 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 17096360 JTJMYBYAOLQYJA-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 17101686 RWSACKDSFXPTFP-RUDMXATFSA-N 437.721 5.112 0 40 IKAB CCOc1ccc2nc(Sc3c(-c4ccccc4)c4ccccc4[nH]c3=O)sc2c1 18180908 GQTMWOGFXDQBDQ-UHFFFAOYSA-N 430.554 6.355 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4o3)c2)cc1 20157874 QAAWQAXADPRRIA-UHFFFAOYSA-N 430.460 5.334 0 40 IKAB Cc1noc(C)c1CSCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 21248653 LICTUUJJYNXMHZ-UHFFFAOYSA-N 427.492 5.172 0 40 IKAB Cc1noc(C)c1CN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccccc1 26397741 GNFAKNDFSCFHTK-UHFFFAOYSA-N 444.862 5.359 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 28289364 HXUBEOGRZFNQJY-GZTJUZNOSA-N 445.899 5.272 0 40 IKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2n1C(=O)c1cccs1 28535361 UTWJNTRGXZEXMJ-UHFFFAOYSA-N 429.423 5.245 0 40 IKAB O=C(c1ccccc1)c1ccc(OCc2nnc(-c3ccc(Br)s3)o2)cc1 31679651 OXJKKWQPLRDTEV-UHFFFAOYSA-N 441.306 5.371 0 40 IKAB COC(=O)c1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 35647210 SKCBIECXDBQYSA-OVCLIPMQSA-N 440.830 5.037 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)c2ccccc2Br)nc1-c1ccccc1 40040630 AJKUYBVEGUNZIV-UHFFFAOYSA-N 439.338 5.225 0 40 IKAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(Br)c1 40926380 MWOSCMSKZLPJJM-UHFFFAOYSA-N 438.144 5.587 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccccc1 59186116 SWFWEEGILJWGEW-NDENLUEZSA-N 439.433 6.176 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc(Cl)cc1 67259585 YNJBJTJNDZTRHT-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 72330477 NEXFORKBUORCEF-PQPYZNTLSA-N 439.603 5.297 0 40 IKAB Cc1cccc(Nc2cccc([C@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)n2)n1 72375394 ONYSGACANSOWOK-XMMPIXPASA-N 438.579 5.480 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376895 MLMMCUVHNIWORR-HXUWFJFHSA-N 440.469 5.041 0 40 IKAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(OC)c1 97105022 SNSLVNWGPKLIME-QHCPKHFHSA-N 440.503 5.229 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1 100699446 JALKQRRLGKTKIG-HJOGWXRNSA-N 425.355 6.617 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102252248 FGLSGMOPXNUOLY-ZZTDLJEGSA-N 430.617 6.269 0 40 IKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 102289742 NUVFRMMLYRCXNV-IHRRRGAJSA-N 428.941 5.175 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)C[C@H](O)C(F)F)CC[C@@H]32)C1 118935215 ITDMQPFKAISKOA-HQUYNPCVSA-N 440.571 5.162 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)cc1 222382629 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IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225411917 OXBIHXRWVBYFFF-RTWAWAEBSA-N 438.612 5.083 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225615424 GCELHTOWCJFGJW-SZPZYZBQSA-N 432.649 5.459 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225628428 GAERAASUBPGCPA-HRAATJIYSA-N 435.395 5.258 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225849353 MQOAYNBOLANKNF-UHFFFAOYSA-N 432.433 6.480 0 40 IKAB C[C@H]1CCCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010422 YUDXYEYZOFFAEX-IBGZPJMESA-N 444.693 5.103 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2Br)o1)n1cc(CO)c2ccccc21 226766787 OYPSEKUUIHXFPH-UHFFFAOYSA-N 430.685 5.498 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@@H]4CCCC[C@H]4c4sccc43)cc2)cc1 245226282 OIHIHXHRQAFSFC-MZYLBHOOSA-N 440.586 5.970 0 40 IKAB O=C(c1ccc(Cc2ccccc2)nc1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257265357 LYILAJVTDBIEFH-AREMUKBSSA-N 437.543 5.619 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)c2c1 257338565 YXZAIIFQXSXWON-HSZRJFAPSA-N 430.939 5.488 0 40 IKAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1c(C)cc(C)cc1C 408631848 MFOJRKNBBBCQID-NHDPSOOVSA-N 440.521 5.109 0 40 IKAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408692255 IOWDXPLREQVHQV-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccs1 408823744 GCFMKCCZFSYSGL-UHFFFAOYSA-N 438.577 7.458 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCSc3ccccc3)cc2)c1 408926059 NTSACVPVEPZDIV-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409214586 YIZQBVXBCCJXNW-UHFFFAOYSA-N 428.989 5.328 0 40 IKAB CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CC(=O)O)CC4CCCCC4)ccc3O2)cc1 585266485 DDYWKZCKVNPTDT-MUUNZHRXSA-N 449.591 5.292 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 869110 KQHNGOVUVDCFCX-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CCc1ccc(OCCCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 1773483 BWMUEUAGZNYOHV-UHFFFAOYSA-N 430.573 6.632 0 40 IKAB CC[C@@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(Cc3ccccc3)c(=O)c21 1801711 VLMRNVCYUAUXIR-MHZLTWQESA-N 432.633 6.321 0 40 IKAB CCOc1ccc(/C=C/C(=O)Oc2ccc(C(=O)OCc3ccccc3)cc2)cc1OC 1904542 CULJYWKMOYQOLZ-MHWRWJLKSA-N 432.472 5.070 0 40 IKAB CC(C)(C)c1ccc(-c2nnc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn23)cc1 2244870 QPXPYEPBWREWQH-UHFFFAOYSA-N 437.334 5.735 0 40 IKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2255048 UPLPLZCOZIBLIY-BJKOFHAPSA-N 444.897 5.592 0 40 IKAB O=C(Oc1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2256148 YHHRQOQQPDLGSB-UHFFFAOYSA-N 438.708 6.537 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 2629918 DSVZZHDTQOLZBI-VQIMIIECSA-N 432.553 5.434 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cccc(Oc4ccccc4)c3)cc2)cc1 2630154 MVKMCAACDJIFFC-UHFFFAOYSA-N 438.483 5.992 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4)cc2-3)OCCO5)cc1 2693385 SFKYQTYNBZTSDY-UHFFFAOYSA-N 437.499 5.421 0 40 IKAB O=C(Cc1cccs1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721224 HXVDUBSCRLLWST-UHFFFAOYSA-N 426.994 6.001 0 40 IKAB aggregator CCn1c2ccccc2c2cc(NC(=O)COc3ccc(Br)c(C)c3)ccc21 3200058 VGWKOCNHWQRBQJ-UHFFFAOYSA-N 437.337 5.903 0 40 IKAB CCOc1ncccc1C(=O)O[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3247793 JZHZFRVHCNFDKU-IBGZPJMESA-N 445.302 5.324 0 40 IKAB CC(C)N(C(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)c1ccccc1 3290616 DXLLMUJCFVRJOA-UHFFFAOYSA-N 435.907 5.169 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)CCCC)c2)cc1 6386539 LIDGQIPWEXVKDI-UHFFFAOYSA-N 427.570 5.121 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4c(C)cc(C)cc4C)cc3c2C1 8439101 WXVGXEZBJLOXRD-LJQANCHMSA-N 439.621 6.700 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 8612305 NVIVEBSDYRPERK-UHFFFAOYSA-N 445.972 5.222 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8752392 FCYXYJZECUYNRI-QGZVFWFLSA-N 433.914 5.706 0 40 IKAB Oc1cccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@]3(O)C(F)(F)F)n2)c1 8770023 PNCZKIQMJGIGGG-SFHVURJKSA-N 439.846 5.034 0 40 IKAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 9128507 QTCFJFXIQOAORU-UHFFFAOYSA-N 431.439 5.302 0 40 IKAB CCC(CC)C(=O)Nc1cccc(Oc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)c1 9426177 IGMUFDZKOQXWFM-UHFFFAOYSA-N 428.488 5.654 0 40 IKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(C)c1 9561432 XXIMBJOFCNWHGA-OAQYLSRUSA-N 425.866 6.487 0 40 IKAB Cc1c(-c2ccccc2)sc(NC(=O)COc2ccccc2)c1C(=O)N1CCCCC1 9670198 ZQUWOBSCRUFUKU-UHFFFAOYSA-N 434.561 5.367 0 40 IKAB COc1cccc(NC(=O)CSc2nc(C)nc3scc(-c4cccs4)c23)c1 9806883 FBLHMVSIHHZEBC-UHFFFAOYSA-N 427.576 5.468 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 10330803 XVPZGCXUIMJQMC-UHFFFAOYSA-N 442.968 5.275 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccc(CN2CCCCC2)cc1 10370749 VWJNUUOFFAHGEA-UHFFFAOYSA-N 437.436 5.643 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1 10372415 GTBCXVBPDBYZIW-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB CCCCOc1ccc(NC(=O)CSCC(=O)Nc2ccc(OCCCC)cc2)cc1 12285240 CJNCTSHJMDIPGF-UHFFFAOYSA-N 444.597 5.355 0 40 IKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1cccc(Cl)c1 13115782 JCKBSBWDSVRXSO-ZDUSSCGKSA-N 448.375 5.862 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)NCCc3ccccc3)c2c1 13283350 FQOKSPCMGBNPBG-UHFFFAOYSA-N 442.632 5.342 0 40 IKAB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1ncn2-c1cccc(C(F)(F)F)c1 13364743 BRXCVXHEYCRGOL-UHFFFAOYSA-N 437.347 5.905 0 40 IKAB CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 13635685 UCNNVENUUSQHSS-UHFFFAOYSA-N 437.503 5.212 0 40 IKAB O=c1c([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)coc2ccc(F)cc12 13785711 YLDPJMZMPKQVDV-SQJMNOBHSA-N 446.865 5.828 0 40 IKAB Cc1ccc([C@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)cc1 14020114 PJAILHLPMUIHOI-AREMUKBSSA-N 430.935 6.142 0 40 IKAB Cc1ccc(/C=C/c2nn(CN3CCc4sccc4[C@@H]3c3cccs3)c(=S)[nH]2)o1 14189839 LRNCJQBHCQVELE-ROUKRRSUSA-N 440.619 5.741 0 40 IKAB O=C1CS[C@@H](c2ccc(Cl)cc2)N1c1nc(-c2ccccc2)c(-c2ccccc2)s1 15083543 JVIHIBCNETYUFM-QHCPKHFHSA-N 449.000 6.909 0 40 IKAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Br)c1OC 15947684 QPICGJYSQHRQCU-VVVCHXIZSA-N 437.359 5.082 0 40 IKAB O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccccc1Cl 16449348 QVJDZELDLBBHSH-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 16736157 REYAFHNMGJQFRP-RUZDIDTESA-N 439.511 5.288 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)c(Cl)c1 17098639 YMFGGDIMTDMGHU-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 17099188 PFFTVZHXVGRJDY-UHFFFAOYSA-N 434.628 7.178 0 40 IKAB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1cccc(OCc2ccccc2)c1 17102572 PRFWSSHCNSLEIU-UHFFFAOYSA-N 438.552 5.644 0 40 IKAB CCOc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20176842 QSAWWVRCHDOPCF-OAQYLSRUSA-N 448.910 5.700 0 40 IKAB CCCCCCn1c(=N)n(C[C@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20291645 ULDNMMRJUXFKPW-KRWDZBQOSA-N 436.383 5.249 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578796 PLXHXUQBDULTCY-LJQANCHMSA-N 428.532 6.850 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258504 LKOHSOLACGDZDU-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB COc1ccc(-c2nc(COC(=O)CCc3ccc4ccccc4n3)cs2)cc1OC 24194228 FEWHIOMPCXHWDY-UHFFFAOYSA-N 434.517 5.052 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Nc1cccc(CO)c1)c1ccccc1 25427106 LHDKXCPWHQWNKG-FQEVSTJZSA-N 434.845 5.643 0 40 IKAB CC(C)c1noc(COc2cc(OCc3nc(C(C)C)no3)c(Cl)cc2Cl)n1 29141933 NHLUTIBTCZPLSM-UHFFFAOYSA-N 427.288 5.164 0 40 IKAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(Cl)c1Cl 30868443 CNMPDLMHLXNHBP-NRFANRHFSA-N 436.360 5.378 0 40 IKAB CCCOc1cccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)c1 31817249 SBYMWLVOVFRMSD-UHFFFAOYSA-N 426.523 5.271 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 32116696 RLGYXZCWHNAJAA-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB Cc1ccc2c(C(=O)[C@@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)[nH]c2c1 35190157 PJISJAACZDCYRU-QGZVFWFLSA-N 429.486 5.197 0 40 IKAB O=C(CSc1nc(COc2ccccc2)nc2ccccc12)Nc1ccccc1Cl 35292059 OJQXYXPMVPTEAB-UHFFFAOYSA-N 435.936 5.593 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(F)cc2)CC1 39743129 WUKVQWGEUNDIEY-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB CC(C)n1c(S[C@@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 39758008 KKOJGFKLHWMWIA-INIZCTEOSA-N 432.549 5.342 0 40 IKAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 40033492 MODKXLFNXCJTTB-WBVHZDCISA-N 444.457 5.167 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccccc1Cl 67258540 IJINCTOJENTSSE-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB Cc1sc(CNC(=O)c2ccccc2NCc2cccnc2)nc1-c1ccc(Cl)cc1 78995587 DKKWIKZORZJQLY-UHFFFAOYSA-N 448.979 5.709 0 40 IKAB Cc1ccccc1CN(Cc1ccccc1)Cn1nc(-c2cccnc2)n(C2CC2)c1=S 84243866 VFNBOFFAYPPPOA-UHFFFAOYSA-N 441.604 5.779 0 40 IKAB O=C(C[C@@H](Cn1cccc1)c1ccc(Cl)cc1)N1CCC(c2nc3ccccc3[nH]2)CC1 95480427 IBRLGWYZSDIPSD-NRFANRHFSA-N 446.982 5.598 0 40 IKAB Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 102705191 YWKQZWIISXPLLT-GDAXGPMHSA-N 443.568 6.133 0 40 IKAB Cc1cccc(C)c1N/C=C1/C(=O)N(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc21 102931558 UXAUOYXSSUQWNQ-ZXVVBBHZSA-N 444.534 6.610 0 40 IKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cccc(OCc2ccccc2)c1 108231820 WMDOOVOTQNXEMY-UHFFFAOYSA-N 428.513 5.251 0 40 IKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CC[C@@H](C(=O)O)C[C@H]1C[C@H]3C(=O)O 118914783 XFIVUTDYPVXBJS-KWAQKLBUSA-N 448.600 5.158 0 40 IKAB CC1CCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)CC1 216839578 PIBLKQHPEYGUOD-UHFFFAOYSA-N 432.305 5.331 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 219838865 YSRPNYLSVSGCGZ-UHFFFAOYSA-N 436.939 5.557 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222821025 OZDSIKLTYOSOLK-UXHICEINSA-N 431.392 5.560 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1CSc1ccc(C)cc1 224334109 HMEVITRCBJKUBU-UHFFFAOYSA-N 446.399 6.533 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COc1ccccc1 224368463 CSWVIXJROSGRTK-UHFFFAOYSA-N 444.575 5.244 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cccc(C)c1 224384144 YLPDREXIBQDLHL-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 224420633 JCPHXWOBLDVDGG-DLBZAZTESA-N 434.359 5.222 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 224422065 XRXZOFUUEONDRD-LJQANCHMSA-N 441.786 5.133 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C1CC1 225037983 JJRRVJFBBANHFH-LOSJGSFVSA-N 445.636 5.310 0 40 IKAB C[C@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 225192316 WFKGGPJZVYWHAT-ZDUSSCGKSA-N 434.417 6.587 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 225643462 HHZNTIGCDHZAKP-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 225660026 PZWSGSQDQQEPFN-NTKDMRAZSA-N 442.575 5.050 0 40 IKAB Nc1nnc(/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1 226338511 XEBPXLOEWYFRHM-QHHAFSJGSA-N 441.112 5.471 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@H]12 253505697 ZVBBVQAJSUFYKD-ZSYFKHJHSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro COc1ccc(OC)c(CCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)c1 257302358 SCPDFPBQCWEFEN-UHFFFAOYSA-N 437.511 5.587 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408636140 LQVFBWXBROBFRP-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)c3ccc(Br)cc3C2=O)cc1 408670766 JGFISBHJOGCDJI-UHFFFAOYSA-N 449.304 5.064 0 40 IKAB Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 408671662 SYODVORGTWCVON-UHFFFAOYSA-N 440.293 5.345 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 408761174 CATLCWOOSBJBJD-UYRXBGFRSA-N 438.266 5.557 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@H]2CCCC[C@H]2C)o1 409004959 CNBRJIFEBMQKEA-XUJVJEKNSA-N 444.384 5.303 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)NC2CCCCC2)o1 409005556 FTPULYVHIXYXRL-LLVKDONJSA-N 430.357 5.057 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c(Br)cc1O 409052978 FURVSLNVQRAZSO-CHHVJCJISA-N 440.702 5.058 0 40 IKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 409093798 AARAMCGQWDEQMO-UHFFFAOYSA-N 444.362 6.596 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2ccccc2Cl)S(=O)(=O)c2ccccc2)c(C)c1 409122764 BMGDLWIIMKYSDO-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)o1 409164250 FODUDYDHAZUVTN-RGVLZGJSSA-N 443.883 5.984 0 40 IKAB Cc1ccc(-c2n[nH]c(O)c2C(c2cccs2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368157 NQZYRHGKLWKHOF-UHFFFAOYSA-N 442.544 5.737 0 40 IKAB C[C@H](N[C@H]1CCCc2ccc(Br)cc21)c1ccc(NC(=O)NC2CC2)cc1 536153157 SEEJEIXQFUVITR-QKKBWIMNSA-N 428.374 5.461 0 40 IKAB CC(C)c1ccc(CCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)O)cc1 585266084 HLIIMWPWAVVZCJ-UHFFFAOYSA-N 443.591 5.543 0 40 IKAB Cc1nc(N2CCCC2)ccc1NC(=O)CC1(Cc2nc3ccccc3s2)CCCCC1 1615055201 JESAOJTUOXYULG-UHFFFAOYSA-N 448.636 6.122 0 40 IKAB CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 882431 GLWGGIXTJDTVIH-UHFFFAOYSA-N 439.537 5.627 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 884958 OIXFBALAIHPSTR-UHFFFAOYSA-N 445.588 5.754 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC)cc1 1322365 QUEOLZCAUOXMJB-VWLOTQADSA-N 447.575 5.673 0 40 IKAB biogenic CCN(CC)C[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 1894940 DTIOIWHFHYKANC-RUZDIDTESA-N 426.604 6.295 0 40 IKAB O=C(NC[C@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2121175 FOESLKQBDXHNDH-QHCPKHFHSA-N 441.918 5.500 0 40 IKAB biogenic CSc1nc2sc3c(c2c2nnc(SCc4ccccc4Cl)n12)CCCC3 2223917 GBIACIIDXPAHBT-UHFFFAOYSA-N 433.027 5.885 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1C 2403755 AAOQSZADUAJIGT-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)cc1 2408218 HDGBVBKWUQVBPB-QHCPKHFHSA-N 445.902 5.243 0 40 IKAB CC(C)(C)c1nn(-c2ccccc2)c2[nH]c(=O)c(CNc3ccc(C(F)(F)F)cc3)cc12 2586514 QKRYUTOVFWXGBF-UHFFFAOYSA-N 440.469 5.642 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1Cl 2889762 RPXXMBNKOPLNMI-UHFFFAOYSA-N 436.316 5.526 0 40 IKAB Cc1ccc(C(=O)C[C@@H](Nc2cccc(Br)c2)c2ccc(Cl)cc2)cc1 3168697 HOSCNGAMVAHOPY-OAQYLSRUSA-N 428.757 6.837 0 40 IKAB O=C(Nc1scc(-c2ccc(-c3ccccc3)cc2)c1C(=O)O)c1ccccc1Cl 3195689 CEGLQUNFDWQLEQ-UHFFFAOYSA-N 433.916 6.686 0 40 IKAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(-c2ccccc2)cc1 3220929 NVKJFVICBJRYPS-QFIPXVFZSA-N 430.485 5.224 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ccc(Br)c2cccc(Cl)c12 3234030 ISKZEUQGFSYCNB-CYBMUJFWSA-N 446.797 6.326 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 3247840 GQJOSNWKSWWNKW-CQSZACIVSA-N 442.437 5.316 0 40 IKAB Cc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3276248 QWEHDLTZJLQJDV-UHFFFAOYSA-N 425.937 5.736 0 40 IKAB Cc1ccc([C@H]2c3c(C)nn(-c4ccc(Cl)cc4)c3N=C3C=Cc4ccccc4N32)cc1 3290237 CIWBTEWASSYBSP-SANMLTNESA-N 436.946 6.809 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nc3ncccn3c2C)c1 4003947 JIOKYSCECFYDKL-UHFFFAOYSA-N 443.894 5.574 0 40 IKAB CC(C)[C@@]1(CCN(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)CCOC(C)(C)C1 4047289 QCSPUPYGJQOHOW-VWLOTQADSA-N 427.541 5.272 0 40 IKAB biogenic COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(Cl)cc1 4786605 WGOKMNKWXWSQET-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB CC[C@@H](C)c1ccc([C@@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 7719306 UFILVDRYUJMLGM-NSYGIPOTSA-N 425.573 5.093 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccccc1Cl 8407759 NBZXUFOUHJULJT-STZFKDTASA-N 433.891 5.662 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(=O)OC)C1 8444187 PIPQTRVWCWFLRU-IGLNGXFKSA-N 443.653 6.231 0 40 IKAB Cc1sc2c(c1C)C(=O)N[C@@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)cc1)N2 8721970 XPVMPESCSYSZRU-GOSISDBHSA-N 447.343 5.745 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1Cc1ccccc1 8753298 DQBOYKNAJYTEPR-SFHVURJKSA-N 433.914 5.393 0 40 IKAB Cc1ccccc1NC(=O)OCc1cccnc1Sc1ccc(Br)cc1 8781974 SKWNZRQZSPRPOU-UHFFFAOYSA-N 429.339 6.052 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 8831804 PGCRAZGYHHWMDW-UHFFFAOYSA-N 442.302 5.993 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1Cl 8836437 SMGGRYAVVAJEQQ-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccccc3Br)cc12 8837226 OOSSMTIERITDSU-UHFFFAOYSA-N 431.326 6.249 0 40 IKAB biogenic Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1)C(=O)CC(C)(C)C3 8870346 LTTYQPZPDNDAMK-UHFFFAOYSA-N 439.577 5.995 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2)n(CCCOC(C)C)c1C 9059956 DFHZFSFVMMVJRT-UHFFFAOYSA-N 430.552 5.716 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@H]2c2cccc(O)c2)cc1 9200180 QANONNSGBKLXOD-XMMPIXPASA-N 425.484 5.169 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(Cc2ccc3c(c2)OCO3)c1C 9390644 VKYVFVSSKDEDPQ-UHFFFAOYSA-N 437.517 5.113 0 40 IKAB COc1ccccc1-c1cc(C(=O)Nc2c(C)nn(Cc3ccccc3Cl)c2C)no1 9597849 WYLLJAWKBZMXTQ-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1Cl 9631227 JTMYRHFRFSQOOC-UHFFFAOYSA-N 429.712 5.360 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccccc1-c1nc2ccccc2s1 9684502 BNLUIODUYJMXQB-UHFFFAOYSA-N 439.334 5.743 0 40 IKAB O=C(c1ccco1)n1nc(NCc2ccc(Cl)cc2)nc1NCc1ccc(Cl)cc1 9948549 LYASZEDRKBGDOJ-UHFFFAOYSA-N 442.306 5.091 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c(C)c1 10112470 KWYHCGCJKDRKRO-IBGZPJMESA-N 434.561 5.004 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2ccc(C(F)(F)F)cn2)c2ccccc2)c1 11266013 FFMFEASFSNTAFF-FQEVSTJZSA-N 430.451 5.775 0 40 IKAB Cc1ccc(C2=Nc3ccccc3N(CC(=O)Nc3cccc(Cl)c3C)C(=O)C2)c(C)c1 12414937 QIIZJHYSRIVETL-UHFFFAOYSA-N 445.950 5.761 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3ccccc3SC)cs2)cc(OC)c1 13010346 UBNTYGGCICSNNL-UHFFFAOYSA-N 446.619 5.356 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 13017596 KQXAICFAOVNKJC-CQSZACIVSA-N 447.318 5.108 0 40 IKAB CCc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 13503541 VWAIVLZHCANVGB-AREMUKBSSA-N 444.575 5.987 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685261 USTMZYACQKLKFE-HXUWFJFHSA-N 438.527 5.218 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 13763505 YGOAXONNFSESNT-UHFFFAOYSA-N 443.631 5.768 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1ccc(C)cc1 14082244 ITGRUUNFSKQUND-UHFFFAOYSA-N 435.578 5.128 0 40 IKAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3)nn12 16363512 FYSAKHCCXRXNCH-UHFFFAOYSA-N 435.896 5.327 0 40 IKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 16757806 SKRFOSGEFSMRLT-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 16840653 CFCOBOBAUOUJPL-UHFFFAOYSA-N 438.556 5.897 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NNc1ccccc1 17097825 YZVXFJWBWVARMY-VQHVLOKHSA-N 432.332 5.284 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3)nc2c1 17103149 CEGJANYHBJVGCD-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB CO[C@@H]1CCC[C@@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)C1 19123796 MCWBDTNTYKKDAH-NHCUHLMSSA-N 448.567 5.052 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(OC)c(OCC)c2)n1 19525607 WJJMZPKOWPTDOX-HSZRJFAPSA-N 446.595 5.626 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19562133 ZULWFGTUYBIDRS-GFCCVEGCSA-N 438.500 5.009 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19642568 ZOPIETXCVWWKSA-UHFFFAOYSA-N 444.943 7.031 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2cc(C)ccc2C(C)C)cc1 19644861 MGNRYYBCXPNIBP-UHFFFAOYSA-N 446.547 5.302 0 40 IKAB CCCN1CCc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)C1 20033369 GDYIERLYIWJAAX-UHFFFAOYSA-N 447.629 5.508 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc4c5c(cccc35)CC4)c2)cc1 20570716 SXYRQEPGDHKBJK-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1Cl 20610732 HZNGHCRAJHAAOY-UHFFFAOYSA-N 447.709 5.642 0 40 IKAB Cc1ccccc1-c1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)o1 21338605 DELMUXABLCBTNS-UHFFFAOYSA-N 431.477 5.351 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSCc3ccc(F)cc3)c2)cc1 22516125 UMTLLZAZGOKTIR-UHFFFAOYSA-N 435.564 6.226 0 40 IKAB O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCCc2cc(C(F)(F)F)ccc21 24472001 BJJTXCBTSLTWJJ-UHFFFAOYSA-N 436.437 5.091 0 40 IKAB CC(=O)c1cc2c(cc1NC(=O)c1sc(-c3ccc(C(F)(F)F)cc3)nc1C)OCO2 24472321 VYWVKIXZGYKHHS-UHFFFAOYSA-N 448.422 5.321 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nc(C)c(CC(N)=O)s3)c3ccccc3)c[nH]c12 24902084 BNGNVIYNKVEJKQ-HSZRJFAPSA-N 449.601 5.239 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 27993816 AKNPMDMQFVTFOZ-MRXNPFEDSA-N 444.984 5.215 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1 28289195 TZBWGPUQPSMBCB-HSZRJFAPSA-N 432.608 6.222 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccnc1Cl 32116717 MXTKNYIGZRBOHU-UHFFFAOYSA-N 444.672 5.264 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)c1 33004207 IOCTVOKLRKKKEB-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB COc1cccc2cc(-c3nn(-c4ccccc4)cc3/C=C3/SC(=S)N=C3O)oc12 33808254 MHKDRTOCGHHHDI-WOJGMQOQSA-N 433.514 5.623 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38232316 LKATWTLUCBJGIB-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2Cl)CC1 44915831 MNTUJENODFVGES-UHFFFAOYSA-N 432.951 5.422 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccccc2)cc1 54201165 WJXDYRWHIQNHOH-KDYMBEQYSA-N 439.540 6.153 0 40 IKAB c1ccc(-c2ccc(C3=NN4[C@H](C3)c3ccccc3O[C@@H]4c3ccc4c(c3)OCO4)cc2)cc1 72333671 MIPVESRQRJKQNG-VAVYLYDRSA-N 446.506 6.325 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)c3ccccc23)sc2c1CCCC2 72414579 CDYRTOVQXYQNHS-UHFFFAOYSA-N 449.981 5.411 0 40 IKAB CC(C)COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2nncn2C(C)C)cc1 84544461 OWDMLMMLHYVOSM-UHFFFAOYSA-N 444.583 5.036 0 40 IKAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCC(Oc2cnc3ccccc3n2)CC1 90678582 DYUHRUUDJQGMQT-UHFFFAOYSA-N 425.488 5.106 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1cccc(Br)c1)N1CCCCC1 95471187 KABFOVGFTYRPIT-UHFFFAOYSA-N 442.332 5.375 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)cc1 106703313 SYJUIDMRTLYAAF-MYYYXRDXSA-N 438.552 6.235 0 40 IKAB Cc1ccc(C(=O)N[C@@H](c2nnc(SCc3ccc(Cl)cc3)n2C)C(C)C)cc1 107625755 GIKGGZSGGLYXCU-LJQANCHMSA-N 428.989 5.196 0 40 IKAB CC[C@@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 107728422 FLHZKUVBANECSU-XLTHYULKSA-N 438.505 5.228 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccc(C)cc1 109034197 MSEASCLBBCAFGY-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccc(F)cc1 214240183 PGVGFPJWGWVJNZ-VCHYOVAHSA-N 448.302 6.629 0 40 IKAB O=S(=O)(Nc1ccc(Br)c(Cl)c1)c1ccc(Oc2ccccc2)cc1 216421198 UFBOKBQLFHKDQT-UHFFFAOYSA-N 438.730 5.696 0 40 IKAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222577939 VRVQWYPGYKNZNM-KPOBHBOGSA-N 431.989 5.510 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cnc(-c2ccc(Cl)cc2)nc1 222608295 GTWMNLSIRFJVPT-UHFFFAOYSA-N 436.298 6.495 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222926799 NOTCFLLBEOCHEX-QFIPXVFZSA-N 448.529 5.509 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 222955746 WEDFWQHERSNXTQ-INIZCTEOSA-N 430.386 5.708 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2I)cc1C(C)C 223274387 DXEGPRIVQHHHMU-AWEZNQCLSA-N 437.321 5.223 0 40 IKAB Cc1cc(Br)cnc1NC(=S)NCC1(c2ccc(Cl)cc2)CCCC1 223977343 PDCIZMFBKAXWAE-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 224018479 XMUZCLYQMGIOTO-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225554244 MPVNHMQTIVSFGG-XUZZJYLKSA-N 438.612 5.219 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCOCC2)cc1 225585042 DRJIWZARMWOTOK-UHFFFAOYSA-N 431.532 5.270 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 225640080 RHZAVJUVSDDSFJ-PGRDOPGGSA-N 445.003 5.058 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(OCc2ccccc2)cc1 225828809 ZZZLJYLFYUFWDX-UHFFFAOYSA-N 449.510 6.040 0 40 IKAB CC(C)(C)c1nn(-c2ccccc2)c2nc(Cl)c(CNCCc3ccc(F)cc3)cc12 257258002 KRZTYTGUOZQLAK-UHFFFAOYSA-N 436.962 5.843 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ccncc3c2)CC1)C1(c2ccccc2F)CCOCC1 257279286 OFXWZFSYCRDSDK-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1C 408638178 CDSZFBMIICYUSE-IRLDBZIGSA-N 428.532 5.644 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccc(C)cc2)cc1 408694329 JCQARMPMRJXLPT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Br)o2)C1=O 408805271 FQVRACSWTVJASK-KXJMADJESA-N 446.390 6.096 0 40 IKAB COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408978901 OIEPUIRAEILUPH-UHFFFAOYSA-N 447.498 5.039 0 40 IKAB Cc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)c(C)c1 408986284 OXYYPVIKEUTFJZ-KDURUIRLSA-N 436.602 5.885 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1C 409113629 IBCPUQGVZUBZBX-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)C[C@H]1CCCCO1 643582297 QZKYHDWRGOYPSP-BJKOFHAPSA-N 436.596 5.394 0 40 IKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)Nc1c[nH]nc1-c1ccccn1 678087682 UTRSRQSBTWGFAL-UHFFFAOYSA-N 443.457 5.470 0 40 IKAB CC(C)(C)OC(=O)N1CCC(Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)CC1 2037835059 UTAZQELUDSGQMN-UHFFFAOYSA-N 426.948 5.239 0 40 IKAB O=C(Nc1ccccc1)N(Cc1nnc2n1CCCCC2)c1ccc(Br)cc1 720085 OALUHLDXZSGKKX-UHFFFAOYSA-N 440.345 5.006 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1 724735 HWFFHVJWRHDNQU-UHFFFAOYSA-N 435.480 5.159 0 40 IKAB COc1ccc2c(c1)N(C(=O)COc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 822401 VXRLMKVANDYPAJ-UHFFFAOYSA-N 447.578 6.014 0 40 IKAB O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc43)c21 834441 AIPJKXRICBVMBX-UHFFFAOYSA-N 425.893 5.559 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 875355 RSHKAOQEYSVPQQ-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 901578 ISAAZCXYJBLZFN-UHFFFAOYSA-N 439.484 5.353 0 40 IKAB O=C(COC(=O)C(O)(C1CCCCC1)C1CCCCC1)c1ccc(Br)cc1 1711011 NQQWZBHXBMTGAD-UHFFFAOYSA-N 437.374 5.067 0 40 IKAB CCOP(=O)(OCC)C1=C(P(=O)(OCC)OCC)C(F)(F)C(F)(F)C1(F)F 1713072 LBESMDBGRBPMJF-UHFFFAOYSA-N 448.233 5.650 0 40 IKAB CCOc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)sc2c1 1883478 LQAWOCJVAQJMIL-UHFFFAOYSA-N 446.597 6.251 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc(Cl)cc1 2061261 FJNCVCMVMGIVOM-UHFFFAOYSA-N 433.913 5.119 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cc(C)cc(C)c2)CO4)cc1 2123411 BEWGXGZGGKMZIS-UHFFFAOYSA-N 427.500 5.750 0 40 IKAB biogenic NC1=C(c2ccccc2)S(=O)(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 2192428 RAGCKOAPKIMICZ-UHFFFAOYSA-N 441.508 5.843 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1C 2354502 NSLYFKLCKKAWIO-SFHVURJKSA-N 435.531 5.264 0 40 IKAB Cc1oc2cc(OC(=O)/C=C/c3ccccc3)ccc2c(=O)c1-c1nc2ccccc2s1 2394238 JPNYZDSVLIKXNH-SDNWHVSQSA-N 439.492 5.997 0 40 IKAB CCOc1ccccc1C(=O)NN1C(=O)c2ccccc2N[C@H]1c1cccc2ccccc12 2746610 MAULIHCOXSNGSX-RUZDIDTESA-N 437.499 5.150 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799963 NCMXVCLEINHYDT-OAHLLOKOSA-N 431.483 5.899 0 40 IKAB O=c1c2sccc2nc(SCc2cccc(F)c2)n1-c1ccc(Br)cc1 2908726 CWRIJHOQTCJKJS-UHFFFAOYSA-N 447.354 5.641 0 40 IKAB CCOC(=O)NC(=S)C1=C(N2CCCCC2)/C(=C/c2ccc(Br)cc2)CC1 3226860 GYONIUXYTXUWRI-JQIJEIRASA-N 449.414 5.440 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc(Cl)cc1C(F)(F)F 3320721 NUAGCQIMGLDFHJ-UHFFFAOYSA-N 448.828 5.191 0 40 IKAB O=C(CCCOC(=O)c1ccc(-c2nc3ccccc3s2)s1)c1ccc(F)cc1 3357577 CMALYPCDPIYAKL-UHFFFAOYSA-N 425.506 5.984 0 40 IKAB O=C(c1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 8714186 NACGRGAEKNTIJU-UHFFFAOYSA-N 439.898 6.054 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12 8762610 LWLKCXIJDBCSTA-ZZIIXHQDSA-N 429.585 7.378 0 40 IKAB biogenic Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810756 YVOJHXSWRCEWGR-UHFFFAOYSA-N 444.503 5.450 0 40 IKAB O=C(Nc1cccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c1)Nc1cccc2ccccc12 8815915 QTOVFMGSUJYSJD-UHFFFAOYSA-N 439.559 6.639 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 8828242 SEFDSHOKCIRFME-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB COc1ccc(NC(=O)c2c(O)nnc(-c3ccccc3)c2-c2ccccc2)cc1Cl 8896252 GTYPEPBYTAXRMN-UHFFFAOYSA-N 431.879 5.431 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 9045177 DXUDXOSBBKSSCI-AHKZPQOWSA-N 430.523 6.637 0 40 IKAB Cc1ccc(COc2ccccc2C(=S)N2CCN(c3cccc(Cl)c3)CC2)cc1 9188012 IPXNQCUBOSCOMV-UHFFFAOYSA-N 437.008 5.725 0 40 IKAB Cc1ccc(C(=O)CSc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)cc1 9345243 MLDGHBBVNZIODP-UHFFFAOYSA-N 429.589 6.286 0 40 IKAB CCN1CCN(c2ccc(N[C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 9367160 FDJXPEHRAHKWLO-HHHXNRCGSA-N 442.607 5.237 0 40 IKAB Cc1ccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)cc1 9382830 CALMOSZDKABELT-UHFFFAOYSA-N 444.585 5.293 0 40 IKAB c1cncc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2cccnc2)c1 9429753 JFPMSGBCNLKHCQ-OAQYLSRUSA-N 428.455 5.020 0 40 IKAB O=C1CN(C(=O)c2cccc3ccccc23)[C@H](c2ccc(F)cc2)c2cc(F)ccc2N1 9495366 DVTKBSKYZRYWCJ-RUZDIDTESA-N 428.438 5.302 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1cccc(C(F)(F)F)c1 9499671 GRCRXTRQUPASOG-UHFFFAOYSA-N 427.879 5.842 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1 9569421 GGSGWVQAAPODEE-UHFFFAOYSA-N 448.588 5.378 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ncc(Cc2ccc(F)cc2)s1 9723852 SKHPFJXWZRCMHC-UHFFFAOYSA-N 440.931 5.332 0 40 IKAB COc1ccc(-c2nc(C(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 9730300 MYQPHYCOYZXZAV-LJQANCHMSA-N 435.574 5.796 0 40 IKAB CCCn1nnnc1CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1 9796801 MWENXQNTTUVGKK-UHFFFAOYSA-N 447.612 5.216 0 40 IKAB CCOc1ccc(-c2cnc(NCc3cc(Br)ccc3F)n2CCOC)cc1 9846071 NUAAOIBSXIAZHO-UHFFFAOYSA-N 448.336 5.109 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@H]1CCCc2ccccc21 9869323 PKNHXIBVEPEGKF-NRFANRHFSA-N 444.560 5.155 0 40 IKAB CCOc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1 10067598 FEQSHWFAEKVGMW-UHFFFAOYSA-N 437.609 5.172 0 40 IKAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c(C)c1 12062355 RIOVJYJZKRWIFN-UHFFFAOYSA-N 437.609 5.083 0 40 IKAB O=C(c1cccc(F)c1)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C1CCCC1 12493960 NRDMGYXXZAFUFW-UHFFFAOYSA-N 426.875 5.341 0 40 IKAB C[C@]1(c2cccc3ccccc23)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 12568858 SFMZABOHXHLYHZ-MUUNZHRXSA-N 449.510 5.059 0 40 IKAB COc1ccc(OCCCC(=O)N(C)Cc2ccc(OCc3ccccc3)c(OC)c2)cc1 12691487 DQLZAZMVHFZOJU-UHFFFAOYSA-N 449.547 5.100 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1C 13578817 NSODVGHPBMILLK-QFIPXVFZSA-N 445.544 5.372 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3SCc3ccccc3)ccc21 13595848 SMSVBKGPOWHATF-UHFFFAOYSA-N 436.580 7.359 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2cccc(F)c2)o1 13946348 VRCDKZUBVOLZRA-UHFFFAOYSA-N 444.487 6.623 0 40 IKAB O=C(c1ccccc1Oc1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14123008 YTICIUWCLDBDSZ-UHFFFAOYSA-N 448.566 6.026 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cn(Cc3ccccc3)cc3c(=O)n(-c4ccccc4)nc2-3)c1 17026423 FPHFYWQUGVCHMZ-UHFFFAOYSA-N 448.526 5.056 0 40 IKAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17099388 SJWSTOLCYXQJDL-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB COc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1ccccc1Cl 17102800 YGVYXDSRRQUJCI-UHFFFAOYSA-N 438.911 5.640 0 40 IKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3scnc3C)CC2)n1 19691562 MDSLYLGUGWLQLL-UHFFFAOYSA-N 425.985 5.419 0 40 IKAB CN(C(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1)C1CCCC1 20456467 FOKHPNAOEMSORO-UHFFFAOYSA-N 448.588 5.097 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc(F)c(F)c2F)cs1)c1ccccc1F 21336774 SEWMMOHTBMPZOX-RMKNXTFCSA-N 435.402 5.036 0 40 IKAB CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1 21882600 OTIBGXWJTZLLNS-INIZCTEOSA-N 437.609 5.269 0 40 IKAB COc1cc(NCCCCCCN2CCN(Cc3ccccc3)CC2)c2ncccc2c1 22469012 ODYGOPWVQBFLGX-UHFFFAOYSA-N 432.612 5.034 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Nc2ccc(N3CCCC3=O)c(Cl)c2)c2ccccc2)c1 24749398 MJPTWBWXTJAPOU-VWLOTQADSA-N 447.966 5.876 0 40 IKAB O=C(c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2)C(F)(F)F 27526399 RXSDGQNRLLAHQW-UHFFFAOYSA-N 443.856 6.205 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 32983632 DTMPDTDGNRGUTG-MRXNPFEDSA-N 436.968 5.464 0 40 IKAB Cn1nc(-c2nc(-c3ccc(F)cc3)cs2)cc1NC(=O)CSCc1ccccc1 35683190 IFMFQOHWFUVRBJ-UHFFFAOYSA-N 438.553 5.222 0 40 IKAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccc(CSc3ccccc3)cc2)c1 44844382 WALGNJDNJSXHDW-UHFFFAOYSA-N 446.981 5.256 0 40 IKAB Cc1ccc(-c2noc(-c3cc4cccc(OCc5cccc(F)c5)c4oc3=O)n2)cc1 57354724 AGWUAMXCWCOSAB-UHFFFAOYSA-N 428.419 5.537 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 57472477 AOIOHQKUCPPERG-UHFFFAOYSA-N 449.498 5.192 0 40 IKAB O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 59371721 DFCKDGUVZMUWCJ-FQEVSTJZSA-N 449.175 7.182 0 40 IKAB O=C(Nc1cccc(COc2cccc(F)c2)c1)c1cc(Br)cnc1Cl 60342606 YNTUCNGTDQISAA-UHFFFAOYSA-N 435.680 5.468 0 40 IKAB CSc1ccc(CNC(=O)c2scc(-c3ccc(Cl)cc3)c2-n2cccc2)cc1 64872373 HACJCLADQFDVKF-UHFFFAOYSA-N 439.005 6.511 0 40 IKAB COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 67294903 VKDFRXMFOGXANY-GFMRDNFCSA-N 441.896 5.045 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 69375056 XODAZWLJDOWKOG-XMMPIXPASA-N 426.545 5.607 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)C[C@@H]2CCCO2)cc1 70037833 CHOBQTHWPSYLFI-QFIPXVFZSA-N 433.508 5.096 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccc(F)cc1 71327578 KDVHWQRAHPFWKR-UHFFFAOYSA-N 434.920 5.730 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72215197 RZDOJOPYBONIJZ-MRXNPFEDSA-N 435.565 5.109 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)n1 72370046 NDARRHWQEHCKNI-WIOPSUGQSA-N 443.522 5.376 0 40 IKAB CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4ccncc4)CC3)cc21 96155636 KXSCEHCGXNOECM-UHFFFAOYSA-N 425.536 5.094 0 40 IKAB C[C@@H](N)[C@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1 98072764 BHRXRWRXVSJNML-ROTAYESASA-N 445.546 8.244 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)cccc1F 101003520 SSILIVIEHFXVKW-QKFIJCJASA-N 439.461 5.388 0 40 IKAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCCC2)c1=S 102246347 CGEGBWIQBOXSME-XWSJACJDSA-N 430.593 5.183 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5csc(-c6ccccc6)n5)(C4)C2)C3)cc1 102270765 FZTAOQMJARJZFS-VHDHYXBKSA-N 443.612 6.700 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc4c(c3)OCO4)N=C2SCc2csc(C)n2)cc1 104367825 NVSNFPGIDVAUPZ-DJKKODMXSA-N 449.557 5.166 0 40 IKAB Clc1ccc(OCc2ccccc2Cl)c(CNc2ccc(Br)cc2)c1 107038880 XWPSGGQDMRACPF-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 107753674 BNLYWUSDGQIGLW-UHFFFAOYSA-N 433.891 6.155 0 40 IKAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 138878348 WRTYTCMSWCOUIR-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB Cc1c(C(=O)O)cccc1-n1c(C)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c1C 144210199 IPQWHUCUONZAFQ-BKUYFWCQSA-N 432.501 5.342 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)ccc1OC 214748284 BZMBOYIYFCHUFG-VCHYOVAHSA-N 438.332 5.637 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223315831 MEQBYTPXBPPIOZ-NRFANRHFSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223414858 BMUZMQZVCGZEBQ-GOSISDBHSA-N 449.422 5.486 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223741324 UBKOIMJXHKOFFU-NRFANRHFSA-N 434.624 5.393 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223774775 GWQBTMNZDXRNGH-RPWUZVMVSA-N 427.529 5.527 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(Cl)c(C)c1 224208094 LQSKPBAMNQHKCW-UHFFFAOYSA-N 438.911 5.447 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc2ccccc2c1 224315923 RRQGBHSQGQXGQO-UHFFFAOYSA-N 425.484 5.882 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C(C)(C)C)c2)cc1 224511886 PRVPFFYBEYQJLA-UHFFFAOYSA-N 447.575 6.613 0 40 IKAB CCOc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COCC(C)C 224740032 PXEPZMMZNQUIIK-UHFFFAOYSA-N 431.576 6.101 0 40 IKAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224964234 LAARINDHJFOJGD-UHFFFAOYSA-N 432.863 5.321 0 40 IKAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534728 ZIDYAOMGDXSQIO-QHCPKHFHSA-N 434.624 6.028 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)no1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257208737 BNKRMWSYIRKGDX-QFIPXVFZSA-N 447.922 5.941 0 40 IKAB Cn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 257272950 NEOPVZPRQGBNKS-AREMUKBSSA-N 449.520 6.520 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 408556809 LTHDTXPBZVAFIF-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(F)cc1 408563734 WXHOCNDISREWOG-BZZOAKBMSA-N 428.529 5.086 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408684730 NVIXAHLFQCDKRR-ZDUSSCGKSA-N 439.298 5.884 0 40 IKAB Clc1ccc(CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(Cl)c1 408874201 ZILXPFARWCGZGF-UHFFFAOYSA-N 436.147 6.555 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(CCc3ccccc3)C2=O)c1 409008401 XYMGDULXKVLXSU-ULJHMMPZSA-N 429.541 5.853 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)c1 409053253 NRRKUQZBIVDCMW-UHFFFAOYSA-N 434.492 5.886 0 40 IKAB COc1ccccc1C1=N/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)O1 409177765 CURUNJTYMINRAT-KOEQRZSOSA-N 435.479 5.772 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2-c2ccccc2)n(C)c1-c1ccc(OC)cc1 409197298 AWAJJLUETNADGE-RQZHXJHFSA-N 428.557 5.733 0 40 IKAB Cc1ccccc1CC(=O)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643569568 JSZYUJJCSOUQCF-UHFFFAOYSA-N 432.608 5.664 0 40 IKAB O=C(OCCF)N1CCC([C@H]2CCCCN2Cc2ccc(F)cc2C(F)(F)F)CC1 2056226605 WACACKIPMCDNSI-LJQANCHMSA-N 434.449 5.017 0 40 IKAB O=c1nc(Nc2ccc(Cl)c(Cl)c2)nc2n1CCN2c1ccc(Cl)c(Cl)c1 862673 KYZUVVMKWGBYRV-UHFFFAOYSA-N 443.121 5.147 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCc3ccccc3)cc12 884627 YHBOKKJYBWVCBD-UHFFFAOYSA-N 447.629 5.283 0 40 IKAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1CCc1ccccc1 953972 IZVWWHOVBKZZMM-DEOSSOPVSA-N 431.586 5.418 0 40 IKAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 1254749 PNHHNMUDGWPZKC-OAQYLSRUSA-N 447.947 5.950 0 40 IKAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1 1331893 AEAAQHMZDTZZOE-SANMLTNESA-N 440.568 5.382 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccccc1 1339131 TYYZXLCVPDVYLE-XMMPIXPASA-N 431.511 5.058 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1OC 1454641 YYTUVIRFAQJWQG-UHFFFAOYSA-N 436.891 6.018 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 1846358 FGTUSQYCKGJNPY-KRWDZBQOSA-N 432.951 7.531 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 1846937 DXILDUWHPPSBHE-UHFFFAOYSA-N 434.502 6.145 0 40 IKAB COc1ccc(C(=O)NCC[C@@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 2092311 QULLAJKVAWUUEM-DEOSSOPVSA-N 433.548 5.443 0 40 IKAB biogenic CCn1c(SCC(=O)Nc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2247480 LVVZMIKISWRPHE-UHFFFAOYSA-N 445.588 5.029 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 2264516 OTQGBZYROSCPJS-QGZVFWFLSA-N 429.568 5.445 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)c(Cl)c3)c2-c2ccccc2)cc1 2388801 UWDJLWMOSALYRL-UHFFFAOYSA-N 447.329 5.797 0 40 IKAB S=C(NCCc1ccccc1)Nc1ccc(Sc2ccc(Br)cc2)cc1 2622286 RGHGKJVXQLICES-UHFFFAOYSA-N 443.435 6.129 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccnc3Cl)n2-c2ccccc2)c1 2636841 PMRLYAGPFPSGNY-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCOC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 2749018 MNSIZWSAOHAFFH-UHFFFAOYSA-N 427.353 6.145 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2Cl)ns1 2917653 RXKVDEYEUVMTNN-UHFFFAOYSA-N 426.350 5.251 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1cccc(C(F)(F)F)c1 2925017 VTJULHQZLJVLMY-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(C)cc2Cl)cc1 3415887 GVZMKVZDPKFPIU-UHFFFAOYSA-N 437.927 5.350 0 40 IKAB Cc1ccc(C)c(OCc2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)o2)c1 3441205 FZKPYTNWODISPR-UHFFFAOYSA-N 445.544 5.663 0 40 IKAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1 3643856 NDQBIILXSGCLGB-QGZVFWFLSA-N 437.908 5.171 0 40 IKAB O=C(CSc1nc(-c2ccccc2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2 8594669 LEFNNUCWVLCOLQ-UHFFFAOYSA-N 429.501 5.203 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2Cl)N(c2ccc(C(=O)O)cc2)C3=O)cc1 8595565 GEXWOAADCSXIHV-HSZRJFAPSA-N 443.890 5.487 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c(F)c1F 8832095 OAFKBDUZICIAQK-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 8914267 CGHBFWDEHJRTAV-RXVVDRJESA-N 443.286 5.615 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4cccc(F)c4)cc3)nc2c1 9142385 XYJFTKKDCZTJFN-UHFFFAOYSA-N 447.535 5.562 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@H](c2nc(-c3cccs3)no2)C1 9203935 RJGAAEGJBIOUBV-SFHVURJKSA-N 430.533 5.877 0 40 IKAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 9215835 MXVCTNDTDCVATJ-HXUWFJFHSA-N 432.501 5.015 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nnc1-c1cccnc1 9283349 MEUFPQJUKPZCFS-UHFFFAOYSA-N 443.576 5.492 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1ccc(N2CCCCCC2)cc1 9338607 RNPKFIDQVAAYKJ-UHFFFAOYSA-N 442.972 5.501 0 40 IKAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 9433259 LGNTZQIHXXXLLH-DHIUTWEWSA-N 434.561 5.332 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)cc1OC 9518440 PEEVMJBOACYHII-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB O=C(CC1CCCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518504 HKOUVTCMSXILID-UHFFFAOYSA-N 434.492 5.365 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2nc(-c3ccncc3)cs2)cc1OC 9587409 GQFKAMMNXQOMEB-UHFFFAOYSA-N 448.342 5.017 0 40 IKAB Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(O)c1Cc1ccccc1Cl 9698482 KXFBISAGHDETES-UHFFFAOYSA-N 431.348 5.328 0 40 IKAB Cn1c(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 9884066 XXELQBMKZGLIFN-QGZVFWFLSA-N 432.471 5.183 0 40 IKAB CC(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)c1 10253428 RNKRTUIUSTXMAG-UHFFFAOYSA-N 436.558 5.398 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10325401 IQDXMEQZZQHWPG-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB Cc1cc(C)nc(Nc2ncc(-c3ccc(Br)cc3)n2-c2ccc(C)c(C)c2)n1 10381842 XLHOTMORJXZDKF-UHFFFAOYSA-N 448.368 6.069 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)cc1 12087474 IVMWWSIXAVXDFH-UHFFFAOYSA-N 434.584 5.101 0 40 IKAB O=C1/C(=C\Nc2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 12312292 PIQZRLVPSVCOOV-PDGQHHTCSA-N 443.717 6.287 0 40 IKAB CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 12437063 UHTUCRATYFVMHX-YTMVLYRLSA-N 432.567 7.380 0 40 IKAB Clc1ccc(-c2nnc(CSc3ncc(-c4ccc(Br)cc4)[nH]3)o2)cc1 12559376 JJNDLBAVRXHNOJ-UHFFFAOYSA-N 447.745 5.835 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)c3cccc(NC(=O)[C@@H]4CCCO4)c3)n2)cc1 13008569 JNAZKHXVIXGVFN-NRFANRHFSA-N 435.549 5.303 0 40 IKAB Cc1ccc2cc(CSc3nnc(Cc4cccs4)n3C3CC3)c(Cl)nc2c1C 13017615 WUNBGJBCJPZGAW-UHFFFAOYSA-N 441.025 6.376 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 13018068 YGERTFVCSDCTQW-UHFFFAOYSA-N 439.726 5.838 0 40 IKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)cc1Cl 13032132 CYLLRVNBKAQTDL-RUZDIDTESA-N 449.982 5.516 0 40 IKAB Cc1cc(NC(=O)c2ccccc2OCCOc2ccccc2)ccc1Br 13148349 SILGJGNKVZTCDZ-UHFFFAOYSA-N 426.310 5.468 0 40 IKAB CCCCCOc1ccc([C@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCC2)cc1 13548860 ABPAPTXDPXZUCP-OAQYLSRUSA-N 429.586 6.087 0 40 IKAB FC(F)(F)c1ccc2c(c1)nnn2C1CCN(Cc2ccc(Cl)cc2Cl)CC1 13561714 YOZBPXPDLZJNFC-UHFFFAOYSA-N 429.273 5.594 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1OCc1ccccc1 13687184 UVRAVJNDDCZORN-UHFFFAOYSA-N 437.583 6.986 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccc(Br)cc1 14071266 HIWSPGIJODRUSF-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)OCc1cn(-c2ccccc2)nc1-c1ccccc1 14812676 ZQCUPJBONFOBKF-WUKNDPDISA-N 431.495 5.844 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 15187293 XCXUTBFOVSBZMG-JOCHJYFZSA-N 430.533 5.138 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1C(/C=C/c2ccc(Cl)cc2)=N[C@@H]2CCCC[C@@H]21 15906255 ZSRUAOVZKYBDSK-OXIHHTMLSA-N 425.359 6.272 0 40 IKAB CC(C)OCCCN(Cc1cccc(Cl)c1Cl)C(=O)Nc1cccc(Cl)c1 15947188 WLVREWCNARCNOU-UHFFFAOYSA-N 429.775 6.496 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 16749746 XPGSVKWSFQOKSM-RUZDIDTESA-N 439.511 5.370 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 17100926 YADLXQKAIBBOET-KRWDZBQOSA-N 436.939 6.123 0 40 IKAB CCCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1Br 17181037 YHTPFFFRWJMZCJ-UHFFFAOYSA-N 427.342 5.042 0 40 IKAB Cc1cc(Br)c(Cl)cc1N1C(=O)[C@H]2C[C@@H](c3ccccc3)CC[C@H]2C1=O 18243909 VXXMOYSZEUWRGL-XHSDSOJGSA-N 432.745 5.484 0 40 IKAB CCOc1ccc(CN2CCN(Cc3ccc4c(c3)c3ccccc3n4CC)CC2)cc1 19889520 FBDGIRXGQZFEOV-UHFFFAOYSA-N 427.592 5.531 0 40 IKAB COc1cc(CC(=O)OCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)ccc1C 26250562 WSVGEMADLNAWCF-UHFFFAOYSA-N 438.549 5.047 0 40 IKAB CC1(C)C[C@H]2C3=CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 28102243 ZEGUWBQDYDXBNS-JABDUKPASA-N 442.728 7.140 0 40 IKAB biogenic,in-vitro Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)c1 33570532 CGSRQIKLNIFRQD-UHFFFAOYSA-N 432.343 5.155 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 33611751 FZIZATRKFKYOGX-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB c1ccc([C@H]2N[C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1 35188532 CXHSWOPDKRTKSI-WIHCDAFUSA-N 449.597 7.823 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C\c1cccc2ccccc12 35647879 OPTMYIJFOLUQCK-ZDLGFXPLSA-N 432.854 6.404 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 40040324 HFZKEQWOIGPSBO-FQEVSTJZSA-N 449.284 5.251 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1 46891401 YALJPFVRCGQXAJ-NEPJUHHUSA-N 425.278 5.149 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1cccs1)c1ccc(F)cc1 48326261 BKAATKPJBUYTQP-UHFFFAOYSA-N 435.524 5.478 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)cc1 57478605 LMMFUVWUTGQWNZ-UHFFFAOYSA-N 443.638 5.578 0 40 IKAB Cc1ccc(C)c(Cn2cnc3sc(-c4nc(-c5cccs5)no4)c(C)c3c2=O)c1 67260376 DFFBVCDHGRMWKN-UHFFFAOYSA-N 434.546 5.210 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(F)cc3Cl)oc12 67295907 JPIXMVFYERNVNR-CLCOLTQESA-N 429.860 5.175 0 40 IKAB COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1 67297180 GHNNDRBBVYBJIN-RFBIWTDZSA-N 426.472 5.321 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3Cl)cc(-c3ccc4c(c3)NC(=O)CO4)n2)cc1 68752391 PWQKTIMEVYAYAU-UHFFFAOYSA-N 442.902 6.076 0 40 IKAB O=C(Cc1ccncc1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349436 CWOLDXXXEIWSKM-LJQANCHMSA-N 425.454 5.111 0 40 IKAB O=C(c1nc(Cl)c(Cl)c(Cl)c1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 84600580 IYEQDVLUTKABIV-SECBINFHSA-N 447.174 6.282 0 40 IKAB O=C(CSc1nnc2sc3ccccc3n12)N(Cc1ccccc1)Cc1ccccc1 89832624 TZCDCTWXILOVQC-UHFFFAOYSA-N 444.585 5.265 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)cc1C 89984802 UMXPMRYBSVXZNN-UHFFFAOYSA-N 443.525 5.333 0 40 IKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(-c2nnco2)cc1 95954219 HNTMAJXOUJYFGR-UHFFFAOYSA-N 435.281 5.122 0 40 IKAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N(c4ccccc4)[C@@]2(C)Oc2ccccc23)c(C)c1 100034368 GNYYBGWSEZCLCD-UMFSSWHCSA-N 443.572 5.103 0 40 IKAB Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 101220509 IRKTWDNRKMSRGK-GSDHBNRESA-N 434.495 5.199 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101987146 QENWBJAXORFUJO-WFXMFSGNSA-N 439.386 6.763 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)c(OC)c1OC 102723025 UJNMUVXRJCPGME-AOMKIAJQSA-N 446.503 5.617 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106688121 JEKNERSJPQIHSR-GQFJFNLSSA-N 431.941 5.762 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 107041039 KUDVXONSWZLPAV-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1F 214364769 SOZNQENNJLRLQY-VCHYOVAHSA-N 448.302 6.629 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1c(Cl)cccc1Cl 214821806 NQJRANQNNZQIBL-VIZOYTHASA-N 433.143 6.537 0 40 IKAB O=C(NCCSCc1ccccc1F)c1ccc(OCc2ccccc2Cl)cc1 218989629 IGRFAESQHWYNGU-UHFFFAOYSA-N 429.944 5.721 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 223213133 PDNUSJAVROLWSJ-QHCPKHFHSA-N 440.653 5.340 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223774734 GWQBTMNZDXRNGH-ZEQRLZLVSA-N 427.529 5.527 0 40 IKAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 224028072 HVOHPFUHLQOIEJ-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(Cl)cc1 224158020 YUXKELBTHJHTTN-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1C(C)(C)C 224169658 OCYMBANBPVXCLG-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224319808 JNZCQFWGFOUZSN-RPBOFIJWSA-N 430.621 6.182 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1C 224374057 WLVQEQRODAXQLU-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1OC 224576667 PDUWZDMBFQOULL-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1cccc(CN2CCCCC2)c1 224646863 XYUKSUFDGPCHEV-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(OC)cc1 224863169 UGPJWCADDKHHNE-UHFFFAOYSA-N 425.594 5.378 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028988 YQLYQDCJHYDOGD-PKTZIBPZSA-N 447.560 5.263 0 40 IKAB COc1ccc(CCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225315671 JAIOWJKAADJPDQ-UHFFFAOYSA-N 446.616 5.753 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@@H]3C[C@H]3OC(C)(C)O[C@@]32C(C)=O)C1 253501041 UHBMRCJLSUUKRV-NEJLNBSCSA-N 432.601 5.050 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCc3ccc(F)cc3)CC(=O)O)c(-c3ccccc3)c2c1 257247774 JAKRPVADXACOKR-UHFFFAOYSA-N 430.479 5.052 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 260784389 WBMPAONHIFAGGM-JRVVOHRXSA-N 437.012 6.040 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 408689347 YORNNFQWTNITGE-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc2c(c1)oc1ccccc12 409001432 ILVFKBCIRDBSOU-JOCHJYFZSA-N 441.487 5.363 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1CCCc1ccccc1 409149225 ZGTYZVOVCCCTNR-ODLFYWEKSA-N 441.350 5.600 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1 409381932 PGKKWYMRMGFGAY-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CC(C)CCN1CCC2(CCCCc3ccccc3OC[C@H](CC(C)C)NC2=O)CC1 643578989 MMLLBLFDAMZLAF-DEOSSOPVSA-N 428.661 5.451 0 40 IKAB COc1ccc(-c2nc(C3=Cc4ccccc4O[C@H]3C)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547138723 FXBQRTMDOLHUSK-HNNXBMFYSA-N 442.471 5.041 0 40 IKAB biogenic COc1ccc(-c2c(C)s/c(=N\C(=O)c3ccccc3)n2CCc2ccccc2)cc1 667935 VHUVZJMXMZILSB-RQZHXJHFSA-N 428.557 5.517 0 40 IKAB O=C(Nc1nc2ccc(Br)cc2s1)c1cccc(Oc2ccccc2)c1 1516588 SXHINVKFOGJWQN-UHFFFAOYSA-N 425.307 6.103 0 40 IKAB CCCCCc1ccc(-c2ccc(C(=O)OCC(=O)c3ccc(CCC)cc3)cc2)cc1 2054997 QBOIWXBXHPLYQW-UHFFFAOYSA-N 428.572 7.079 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC2CCCCC2)cc1 2136918 LCUJFZQGDOABIM-UHFFFAOYSA-N 437.609 5.173 0 40 IKAB CC(C)(C)OC(=O)N[C@](C)(C(=O)OCc1ccccc1)c1ccc(-c2ccccc2)cc1 2513952 YXKIXFLUGAVMPW-MHZLTWQESA-N 431.532 5.837 0 40 IKAB O=C(Nc1ccc2c(c1)CCC2)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2653154 ZHWZNPQHRVHFJK-UHFFFAOYSA-N 433.960 7.120 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3ccc(C)cc3)c2cc1OC 2691859 FOWYBEOVLMVCNT-UHFFFAOYSA-N 447.918 5.260 0 40 IKAB O=C(Nc1ccccc1)OCCCc1nc2ccccc2n1C(=O)Nc1cccc(Cl)c1 3154783 MISPDSIGIVAZKQ-UHFFFAOYSA-N 448.910 5.951 0 40 IKAB Cc1ccc(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 3287038 QOVDHZQGGNAMHX-UHFFFAOYSA-N 438.021 7.178 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)N1CCc2ccccc21 3288984 XKMSUAVCOHVCSP-UHFFFAOYSA-N 436.556 5.271 0 40 IKAB C[C@@H](OC(=O)/C=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccc(Cl)cc1Cl 3291579 FJPODYHFBDQECX-VCFDLTMXSA-N 430.234 5.178 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)c2cc(C)nc3ccccc23)c2ccccc2)c1 3315457 JBEJOMJWCYSEPN-XMMPIXPASA-N 426.472 5.089 0 40 IKAB Cc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3)nc2-c2ccc(C)cc2)cc1 3338317 RUPSKMQHXBRDTP-UHFFFAOYSA-N 447.991 6.647 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 3435337 QBJAKUUQBCOYJC-UWJYYQICSA-N 447.633 6.507 0 40 IKAB CC[C@](C)(NC(=O)C(C(F)(F)F)C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C 4207803 DKJVNZLMPKHYIW-CQSZACIVSA-N 443.365 5.508 0 40 IKAB C[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4550906 MBIHVWFEQLQTFF-NBGIEHNGSA-N 426.560 6.246 0 40 IKAB CN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Oc4ccccc4)cc3)=NN12 4812038 UPJNKWWSUFGQSG-VWLOTQADSA-N 425.532 5.444 0 40 IKAB CSc1cc(-c2ccccc2)n(-c2ccc(Cl)cc2)c(=S)c1C(=O)c1ccccc1 8384958 INFJKHHSUJPOLV-UHFFFAOYSA-N 448.012 7.480 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OC)cc4)cc3n2)cc1 8590953 XLGOGFOMTRXKRY-UHFFFAOYSA-N 434.927 5.677 0 40 IKAB O=C(COc1ccccc1F)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8719421 WMTMABHLOMPUBB-UHFFFAOYSA-N 432.373 5.114 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc2c(c1)OCO2 9175749 OFZLIUUVNSWWEO-UHFFFAOYSA-N 428.469 5.022 0 40 IKAB Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccccc2Cl)cc1 9307120 OBYPBJJWFLTBMX-RMKNXTFCSA-N 438.383 7.047 0 40 IKAB CC[C@@H](c1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9549677 HZSUECFUYFCNED-NRFANRHFSA-N 447.608 5.104 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)cc1C 9708831 QEXFNJADQDNMSB-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB O=C(CN1CCC(C(=O)Nc2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 9714329 XTNRXMSYNJBJHA-UHFFFAOYSA-N 445.588 5.127 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1Cc1ccco1 12495378 QSACDHHDXFGDMG-KRWDZBQOSA-N 448.548 5.023 0 40 IKAB Clc1ccc2c(Sc3nnc(-c4cccs4)n3C[C@H]3CCCO3)ccnc2c1 12553481 WALJLTPABKCCHH-CQSZACIVSA-N 428.970 5.538 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)c1 12918487 VDKAHOSBTDFDLQ-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccc(Cl)cc5)no4)c(=O)c23)cc1 12995254 XEKAPUFBWRREBC-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB Fc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 13015625 DNYHUBMKKVFGIZ-SFTDATJTSA-N 449.327 5.993 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(C)Cc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)c1 13059572 LOGYLLGUGKQGLT-UHFFFAOYSA-N 449.982 5.588 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3ccccc3C)c2c1 13283343 JMJPJDDQURATII-UHFFFAOYSA-N 428.605 5.930 0 40 IKAB COc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2ccco2)cc1 13511916 RXTBHPSGFCRVGD-VWLOTQADSA-N 443.551 5.182 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)ccc2Cl)cc1 13811106 GVBGOKWFMDGKTB-UHFFFAOYSA-N 448.950 5.893 0 40 IKAB CCOc1cc2c(cc1OCC)CN(c1nc(-c3cccnc3)nc3ccccc13)CC2 14077573 NNIVMXGMPNRDLL-UHFFFAOYSA-N 426.520 5.052 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1ccsc1 14118121 YBXNHXBWERMTKD-UHFFFAOYSA-N 433.602 5.773 0 40 IKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccc(F)cc1)C[C@H]2c1ccccn1 14607605 ZJNNEZBDEWYSDG-DEOSSOPVSA-N 426.495 5.769 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CCC(=O)c1ccc(Br)cc1 15094292 HXGMUVNPRRIFGT-ZDUSSCGKSA-N 431.355 5.241 0 40 IKAB CCCCNC(=O)CSc1nc2ccc(NC(=O)c3cccc4ccccc34)cc2s1 15163086 ADQFWYZKIPUZMZ-UHFFFAOYSA-N 449.601 5.710 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1ccc(-c2ccccc2)cc1 15317947 BSQPQICBBPGNRA-UHFFFAOYSA-N 425.557 5.621 0 40 IKAB COc1ccc([C@@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413043 RIZLBOCTAFKXCN-AREMUKBSSA-N 428.532 5.050 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 16033444 CTUMMESNLVRHKF-XHDPSFHLSA-N 446.400 6.281 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 16050965 KQAIENJGRDUEAT-UHFFFAOYSA-N 443.937 5.538 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)cc2)N3)C1 16192961 PZRBVADPKFNFKU-ACJLOTCBSA-N 433.415 6.481 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2ccc(Cl)cc2Cl)cc1 16789601 XSNSUEWXNYTLEK-UHFFFAOYSA-N 446.428 6.827 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4ccc(C)cc4o3)c2)c(F)c1F 17096801 OBVQKCHOFMESJZ-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3O)oc2c1 17101743 LUDQCBMXOKMCOG-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@@H]3CC[C@@H](c4ccccc4)C[C@H]3C2=O)c1 18178322 CMWQHGOOGSLUPK-CTUHWIOQSA-N 431.532 5.249 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3nccc4ccccc34)no2)cc1 19558046 KDRTYDRPDMTIOA-QHCPKHFHSA-N 427.504 5.656 0 40 IKAB CCn1cc(-c2cc(C(F)F)nc3sc4c(=O)[nH]c(-c5ccsc5)nc4c23)c(C)n1 19638227 QFCOZLABXLAXAH-UHFFFAOYSA-N 443.504 5.391 0 40 IKAB Cc1nc([C@@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 19695968 NKPRFVSEXVMPFT-DEOSSOPVSA-N 432.612 5.167 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl 19927394 TVFNJKQLAYISAL-UHFFFAOYSA-N 426.756 5.900 0 40 IKAB CCc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 20456033 YUIKSRKRAKFWLV-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 21205228 QLTIYDBNADZCQG-IBGZPJMESA-N 449.532 5.254 0 40 IKAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 22255331 ZJJGCMHTCKUPQI-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H]3c3ccc(OC)c(OC)c3)s2)cc1 25616957 WWBWCQVYVGHEBZ-IBGZPJMESA-N 438.549 5.122 0 40 IKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 28628678 BPNGGJULFGVECG-UWXQAFAOSA-N 448.349 6.236 0 40 IKAB CC1=C[C@@H](CN2CCC(CO)CC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883075 DGPCOTSOFDJRDZ-SDHOMARFSA-N 437.628 5.146 0 40 IKAB biogenic,in-vitro Cc1sc2nc(CN3CCCC3)nc(SCc3csc(-c4ccco4)n3)c2c1C 31420674 JMBXTDNDTGBWHS-UHFFFAOYSA-N 442.635 5.913 0 40 IKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccc(F)cc3)ncc2Cl)cc1C 32623451 BPSJUZQHYBBZTB-UHFFFAOYSA-N 430.888 5.292 0 40 IKAB CCCCCCOc1ccc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2O)cc1 33785153 BPQUTSJPVHBIBG-ZHZULCJRSA-N 437.452 5.061 0 40 IKAB C/C=C/[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 34237915 RTCKAOKDXNYXEH-UCOVSWHWSA-N 431.620 5.959 0 40 IKAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)Nc3ccc(-n4ccnc4)c(Cl)c3)c12 36616967 UAFOJOJTJKFWMN-UHFFFAOYSA-N 448.939 5.097 0 40 IKAB Cc1ccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)cc1 39772957 MXFJMXXYBZLALF-UHFFFAOYSA-N 446.978 5.730 0 40 IKAB Cc1cccc(OCCNC(=O)N[C@@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 40123055 UAMGRHTWWOTKCZ-IBGZPJMESA-N 432.524 5.078 0 40 IKAB COc1cccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)c1 40385087 VPAGAOCBWNTXEV-UHFFFAOYSA-N 435.915 5.137 0 40 IKAB COc1ccc2cc(/C=C(/c3nc4ccccc4[nH]3)S(=O)(=O)c3ccccc3)ccc2c1 50647653 PMMRLRLTRVTSTI-XYGWBWBKSA-N 440.524 5.697 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 57254373 KRPNMLFIPGIESJ-UHFFFAOYSA-N 429.564 5.048 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccccc1C(F)(F)F 57622103 ONAYYTHDEHNADY-UHFFFAOYSA-N 439.481 5.280 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(OC)c(F)c3)nc3ccccc3c2=O)cc1 67259640 JTOMEOBJVCGDGP-UHFFFAOYSA-N 436.508 5.224 0 40 IKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 71288428 CYHSNYICSNZZRB-UUOWRZLLSA-N 447.579 5.325 0 40 IKAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1csc(CCc2ccccc2)n1 72295534 QTMBHIBGTCQTHU-UHFFFAOYSA-N 427.573 5.653 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(Nc4cccc(C)n4)cn3)C2)cc1 72353502 RMCVTMLVKOEVAZ-HXUWFJFHSA-N 444.579 5.221 0 40 IKAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cc(C(F)(F)F)cc(C(F)(F)F)c3)c2)n1 84068189 UXXODQCLBUNGAJ-UHFFFAOYSA-N 441.331 5.035 0 40 IKAB O=C(N[C@H](C(=O)O)c1cccc(-c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21 95749007 PWRYJYDNUXZTTJ-MHZLTWQESA-N 449.506 6.018 0 40 IKAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccs5)cc34)co2)c1 96154348 YRYFCGSMNHYQJS-UHFFFAOYSA-N 431.473 5.150 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(OC)c(OC)c4)nnc-3c3ccccc32)c1 101489307 ZUOATHOBSLIUSO-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 106733795 NKJDVUQAGFUFQB-GRSHGNNSSA-N 435.904 5.513 0 40 IKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)sc2nc(-c3ccc(F)cc3)ccc12 215710688 OCTHIHGBKDPAPP-UHFFFAOYSA-N 432.402 5.351 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 222857589 LRQDSSQFSXGLQF-INIZCTEOSA-N 435.395 5.258 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222984545 KULBDTHKZAKOPI-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223563308 KGCGLRSIIIFIES-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 223581316 UUJAYJLEEPEOEP-UHFFFAOYSA-N 447.987 6.594 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223647459 GSVJPMDMMHUBMY-SANMLTNESA-N 436.640 5.775 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 223769328 LQSVEVZKZZOACA-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1C 223959157 QYXJBKJYVDGGJY-XMMPIXPASA-N 436.577 5.294 0 40 IKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)C1 223978589 UJFZUZFOUNNDQP-GOSISDBHSA-N 443.060 5.770 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224003609 CRPUCPFVHZATGK-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1C 224181586 PVQOWVCWHDRXCG-XMMPIXPASA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COCc1ccccc1 224352444 NIIJYUSHSILNDM-UHFFFAOYSA-N 439.511 6.457 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COCc1ccccc1 224354363 MIUXCOQQIAXTQT-UHFFFAOYSA-N 429.560 5.507 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 224596407 FMEKUBDBIMPUGY-PKTZIBPZSA-N 446.963 5.408 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224624306 DZCMGWGOTXSQDV-AREMUKBSSA-N 436.640 5.631 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224754691 JXEFIKDSSRYBIQ-MHZLTWQESA-N 442.603 5.092 0 40 IKAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225040634 BYXWHXMDSFMQIV-GOTSBHOMSA-N 433.625 5.113 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225170336 ZFGKQOANEYWCIO-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC(C)Oc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1 225346429 MNLVRDKESJSNPT-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225577617 DHARIPJCEQZYFC-QPPBQGQZSA-N 438.612 5.021 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(Br)cc1 225803648 RBNOTCHQRNPQIK-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3ccc(C(=O)O)o3)c(Br)c2)cc1 226356431 LZHVMRUVTLJPBJ-UHFFFAOYSA-N 428.282 5.783 0 40 IKAB CO[C@H](C[C@@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)O 248182329 ZKFBRKHIPWOLIH-ADLMAVQZSA-N 445.726 5.269 0 40 IKAB CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cccc(OC)c4OC(F)F)OCC[C@@]31C2 257334513 YGGLFEUBSCCQAK-GMXHIUMASA-N 437.527 5.095 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)CC1)C1(c2ccccc2F)CCOCC1 257336658 YPKFXMPCOJRFGA-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 408612670 UCQFHNXSJFVNKA-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C(C)C 408693240 XJHWMXHQESGCIN-UHFFFAOYSA-N 448.437 5.337 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 408836194 ZJPJUTGNQUULSG-UHFFFAOYSA-N 439.367 7.345 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1cccc(Cl)c1 409072786 DOAVYPVUAXLXCP-CIAFOILYSA-N 439.298 5.670 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)cc1 409094194 CWSYLEKUXHZBQI-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)c1 409117812 NHCUMMADXGTWLS-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409343005 HEGAEKFQBJAODE-WMRWHDLOSA-N 438.549 5.156 0 40 IKAB O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 674987 VVYCOCZXWXVGDJ-AEFFLSMTSA-N 434.849 5.127 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 976167 UQKKQNCQTPHIIT-UHFFFAOYSA-N 448.953 5.371 0 40 IKAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1ccc(C)cc1 976946 WKHHRZCZCZVROV-INIZCTEOSA-N 444.004 5.300 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c(C)c1 1320600 DLQCEVKTGBXDPF-VWLOTQADSA-N 437.898 5.103 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 2069030 CGVDDQVEPZWNIJ-VWLOTQADSA-N 434.377 6.584 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc(Cl)c3)cc2o1 2119961 AYEYGENNPKWJEM-UHFFFAOYSA-N 430.843 5.799 0 40 IKAB biogenic COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 2239538 DXNLDYIDUJOTMV-UHFFFAOYSA-N 435.480 5.078 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2246858 BNFLWZRLAJJHTR-NRFANRHFSA-N 446.528 5.405 0 40 IKAB COc1ccccc1-n1c(SC(C)C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2298482 WWTRXHLKCPYDRZ-UHFFFAOYSA-N 446.616 6.167 0 40 IKAB biogenic O=C(c1ccccc1)N(Cc1ccccc1)C[C@](O)(c1ccccc1)c1ccc(Cl)cc1 2314604 ZKTHQYSODNXQEA-NDEPHWFRSA-N 441.958 5.919 0 40 IKAB CCOc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccnc2)cc1 2647694 JEQDVJBSMKDUCP-UHFFFAOYSA-N 445.573 5.630 0 40 IKAB Cc1c(-c2ccc(Cl)c(Cl)c2)nn(-c2ccccc2)c1-c1ccc(Cl)c(Cl)c1 2733358 QHRSUPFNTVZKID-UHFFFAOYSA-N 448.180 8.128 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccc(SC(F)F)cc1 3234647 XUMBIAMKOYQZEF-UHFFFAOYSA-N 441.455 5.421 0 40 IKAB C[C@@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 3347816 XRFBZUALQNPGEX-HXUWFJFHSA-N 436.511 6.012 0 40 IKAB CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 3655562 LXDOUOSLWDYJIQ-UHFFFAOYSA-N 431.463 6.234 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 6821442 YKEWWKPTTWZMRI-URKNILKWSA-N 432.446 5.902 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cccc(F)c3)c2c1 6844260 YNWGAIHEKQQSPZ-UHFFFAOYSA-N 435.499 5.868 0 40 IKAB COc1ccc(C2=NN(c3cccc(Cl)c3)[C@H](c3ccc(Br)cc3)C2)cc1 8427358 LBKVJTXFBAFUBG-QFIPXVFZSA-N 441.756 6.467 0 40 IKAB FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 8431594 XHTIYMJMMBWIKS-IRLDBZIGSA-N 426.850 6.184 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(Cl)cc1Cl 8721756 CJNWXKOMSYMKHJ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nnc1-c1ccccc1OC 9234985 XBYKTIPNBTVMNP-UHFFFAOYSA-N 429.545 5.616 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)ccc21 9290400 SETVHZPGHFXQCI-UHFFFAOYSA-N 449.359 5.931 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1cccc(C)c1 9308246 UIBTUHNLWDQPNQ-UHFFFAOYSA-N 444.560 5.797 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2cccc(C)c2)cc1 9309489 RZEDXHYWHXQUKD-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1OC 9409257 UQIRHTJVJTVLAR-RUZDIDTESA-N 449.551 5.315 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1CCC(C)C 9751354 UQFKYKBPQOTBRD-UHFFFAOYSA-N 449.576 5.536 0 40 IKAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(CN4CCCC4)o3)c2c1C 9866405 RRLYGHYLTMDPLH-UHFFFAOYSA-N 429.596 5.167 0 40 IKAB O=C(Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1)c1cccc(F)c1 12375705 RASJBOVMGLJYQK-UHFFFAOYSA-N 428.250 6.102 0 40 IKAB FC(F)(F)c1ccccc1NC(=S)Nc1cn(-c2ccccc2)nc1-c1ccccc1 12528168 GLXTWRBXZDXDHH-UHFFFAOYSA-N 438.478 6.367 0 40 IKAB O=C(COc1ccccc1Cc1ccccc1)N1CCC[C@H]1c1nc2ccccc2s1 12589189 UUMXQOSAGVOHIP-QFIPXVFZSA-N 428.557 5.630 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C)C(=O)Nc1ccccc1-c1ccccc1 12698811 CBHAFBZYEQVUGY-INIZCTEOSA-N 434.590 5.254 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N(C1CCCCC1)C1CCCCC1 12711761 YDJSKDIWPHIFQX-UHFFFAOYSA-N 434.005 5.976 0 40 IKAB CC(C)C(=O)N1CCC(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)CC1 12823261 BIZXQVFHNUIVBL-UHFFFAOYSA-N 433.577 5.310 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1 13039900 ZDYKRHIASKSZHW-LJQANCHMSA-N 447.556 5.462 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)N1CCN(c2ccccc2Cl)CC1 13133793 DLFZKKCNOPBWDH-IBGZPJMESA-N 435.955 5.282 0 40 IKAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 13134869 PSCDFSXMWMDMLI-UHFFFAOYSA-N 434.348 5.266 0 40 IKAB Cc1ccc(-c2ccsc2C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 13165239 ANYRONPIXWJMQE-UHFFFAOYSA-N 435.574 5.422 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)Nc1nn(Cc2c(F)cccc2Cl)cc1Cl 13329425 IFHXWHAQDKDHDU-UHFFFAOYSA-N 443.762 6.148 0 40 IKAB COc1ccc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)cc1O 15978604 BEFRCYZNZWJUMT-NHFJDJAPSA-N 440.524 6.478 0 40 IKAB Cc1ccc(/C=C/C(=O)NC[C@@]2(C)C[C@@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 17102637 FKJSNQKYYVGFEG-MMHWFPHUSA-N 438.568 5.033 0 40 IKAB C/C=C/c1ccc(OCCCn2c([C@@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 21787559 OLAASAKHPJMBDJ-YNYHDPJCSA-N 433.552 5.231 0 40 IKAB COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 22076917 LNOXNNOXPWBLGL-INIZCTEOSA-N 427.342 5.283 0 40 IKAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccccc3)no2)C2CCCCC2)cc1 22256863 QNAHGEDSRDETPC-UHFFFAOYSA-N 439.581 5.384 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 22528760 UUKYHECGNYWOEM-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB O=C(Nc1ccccc1)c1nc(SCc2ccc(Cl)cc2)ncc1Br 28291953 COLFNLNYUJVXGF-UHFFFAOYSA-N 434.746 5.437 0 40 IKAB O=C(NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1)c1ccc(N2CCCCCC2)nc1 30017742 DKBJLIWYDAQICO-HUUCEWRRSA-N 437.428 5.101 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 30945420 ADGOVKLEAGOYRF-ZDUSSCGKSA-N 432.178 6.151 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)c1 31545205 ITBMAQLDIAKTAU-UHFFFAOYSA-N 430.552 5.011 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1nc(-c2ccccc2)cs1 32125013 PIHCQLFDCVLHQW-UHFFFAOYSA-N 429.501 5.349 0 40 IKAB O=C1/C(=C/NN(c2ccccc2)c2ccccc2)c2ccccc2C(=O)N1c1ccccc1 32694163 UJJXIIQUTYAPMJ-LHLOQNFPSA-N 431.495 5.557 0 40 IKAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)c1 33327384 PUQYIVPOKQAKSQ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3ccc(Cl)cn23)c(C)c1 35606607 QBHJBFWCVFGFAL-UHFFFAOYSA-N 448.010 7.968 0 40 IKAB CCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639823 MWPWPXHJDRJNSI-UHFFFAOYSA-N 427.439 5.029 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Br)cc2)CC1 38834719 USBNTOHYGQVKKU-UHFFFAOYSA-N 441.291 5.319 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2=O)c1C 40159433 DYUTWPTZSGSFBD-ZDUSSCGKSA-N 447.532 5.219 0 40 IKAB O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1)N1CCCCC1 44086093 ZLVYBMNVEDSOBG-UHFFFAOYSA-N 446.403 5.951 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 44786483 SGEKAWDWAMZKHF-OAQYLSRUSA-N 444.644 6.772 0 40 IKAB Cc1ccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2C)cc1C 45890600 HHDZBOFBQJTBJQ-UHFFFAOYSA-N 426.152 5.280 0 40 IKAB CC[C@@H](NC(=O)CSc1ncnc2sc(C)c(C)c12)c1nc(-c2ccccc2)c[nH]1 48291132 QUWWFEPVTXZBDB-MRXNPFEDSA-N 437.594 5.058 0 40 IKAB Cc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1C 67245411 SDGOSJQIHHMRMI-UHFFFAOYSA-N 427.891 5.978 0 40 IKAB COc1cccc(-n2c(SCc3ccccc3C(F)(F)F)nc3ccccc3c2=O)c1 67259243 OMGZQYDYUXFESY-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB Cc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@H](c3ccc(Br)cc3)C2)o1 79046926 VTPDMBROLUVADC-IBGZPJMESA-N 427.273 5.481 0 40 IKAB O=C(COc1cc(Cl)cnc1Br)c1ccc(NC(=O)c2ccccc2)cc1 95460181 LVQMEWVUIOJTAP-UHFFFAOYSA-N 445.700 5.012 0 40 IKAB CCc1noc(CSC2=N/C(=C/c3ccc(C(C)C)cc3)C(=O)N2c2ccc(C)cc2)n1 96983445 CUSIYFKXPDBUMA-KGENOOAVSA-N 446.576 5.741 0 40 IKAB CC/N=C1\S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)N1CC 109596564 QJQYJMGMBFEPBK-POHNCSCLSA-N 430.957 5.240 0 40 IKAB CC[C@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219163811 NBPVDXHTJJQWRF-QHCPKHFHSA-N 448.588 5.055 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223443128 GJBMQVYOKDTOCH-JWQCQUIFSA-N 446.620 5.570 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223866928 JFRWJHQLHHJACE-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(Cl)cc1 224157788 AMQDEWSEDKHJIH-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224343598 HTUNSQYEHUUXRC-DQEYMECFSA-N 442.563 5.751 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224352269 XBLVMCHGXBZMDE-RPBOFIJWSA-N 430.621 6.128 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cc(C)cc(C)c1C 224614534 IEEUWNUJPWZESK-UHFFFAOYSA-N 433.548 5.528 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 224614547 IDQYFTOBIJCUSQ-IBGZPJMESA-N 447.044 5.132 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224788290 JAYZUZAUOFWCOE-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1cccc2ccccc12 225116412 FSYIVDNRWWPECV-XHPQRKPJSA-N 438.527 5.261 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225167548 BDOKRGSYZFRRAE-OALUTQOASA-N 447.044 5.214 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1OC 225340707 YAAPSQXOKUFPPG-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 225719809 MJXCMVZLIYXEQB-UHFFFAOYSA-N 445.312 5.541 0 40 IKAB O=C(CCc1nc(-c2ccccc2Cl)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 225810901 RGHVYQCAIVCBBU-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 245312585 WCEDYHUUIUESKE-IQYBJFGMSA-N 436.599 7.359 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)[nH]1 255932070 PBTMVSJJOZTBPO-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C 257350389 XCDQFROEGGNAER-ZHFYVDLMSA-N 428.745 8.249 0 40 IKAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2C)CC1=O 408638371 CAHKDWGGEJNXAY-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1Br 408648671 XYJZXBCLAULTME-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408672999 WBLIGTINIGMQDR-SFHVURJKSA-N 440.326 5.543 0 40 IKAB O=C(NC1CCCCC1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 408692268 IWFSSNRXALWDRU-UHFFFAOYSA-N 449.769 5.957 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)c(C)c1 408698391 NGGNZGLITYLELP-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1Cl 408700151 ZCJSORLSBMOOPI-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 408706332 BMRMNQYTFFNDLZ-UHFFFAOYSA-N 432.800 5.855 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408816191 XYZBWDQPYARYBS-BJWRTATPSA-N 430.597 6.530 0 40 IKAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccc(F)cc1 409034528 ODEANQRUXCCFFA-STZFKDTASA-N 448.519 5.018 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1C)S(=O)(=O)c1ccc(C)cc1 409109981 OYBMHKQZNBYADN-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c2ccccc21 409112025 BKTROKCXKQDJME-STZFKDTASA-N 438.354 6.870 0 40 IKAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1\SC(=O)N(c2ccccc2)C1=O 409341632 FCGQDJBKGLLQGK-CFRMEGHHSA-N 445.584 6.404 0 40 IKAB Cc1c(COC(=O)[C@@H]2[C@H](/C=C(\Cl)C(F)(F)F)[C@@]2(C)CO)cccc1-c1ccccc1 504054865 KJKKJIJMVYASMB-PDTAEHFDSA-N 438.873 5.635 0 40 IKAB in-vitro COc1ccc([C@H](NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)cc1OC 604419630 JZBSBBFIKLKDNY-RUZDIDTESA-N 433.552 5.381 0 40 IKAB C[C@@H]1COc2ccccc2CCCCC2(CCN(CCCc3ccccc3)CC2)C(=O)N1 643566662 GHVGGGWYSGXUNH-HSZRJFAPSA-N 434.624 5.012 0 40 IKAB c1ccc(CC2(CCC3(Cc4ccccc4)SCCCS3)SCCCS2)cc1 675029523 AQCVOJIRIZVOSA-UHFFFAOYSA-N 446.772 7.385 0 40 IKAB COc1ccc2oc(=O)c(-c3csc(N(CC4CCC4)c4ccccc4F)n3)cc2c1 1889274693 VKMOBPBBUQAJES-UHFFFAOYSA-N 436.508 6.002 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(-c4cccc(OC)c4)ccc3c2N)cc1 661256 ROYZBAIEJDQIGU-OAHLLOKOSA-N 431.561 6.320 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 674380 BTCGYLHYQQRGFT-DLBZAZTESA-N 448.876 5.435 0 40 IKAB CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 674722 LDTIVVFEFFISDE-ZFWWWQNUSA-N 435.277 5.236 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 867062 JAWYITGVFTYRFB-GJZGRUSLSA-N 438.837 5.028 0 40 IKAB O=C(c1cccc(Cl)c1)N(Cc1ccco1)c1nc(-c2ccc(Cl)cc2)cs1 932805 GYSVYQXWWKIVMJ-UHFFFAOYSA-N 429.328 6.557 0 40 IKAB Cc1csc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)n1 933098 RGFBZVKBPDSFHK-UHFFFAOYSA-N 432.983 5.507 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccco1 1336097 UMUYPOSJPGZEAO-DEOSSOPVSA-N 436.577 5.415 0 40 IKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(N4CCC5(CC4)OCCO5)ncnc32)c1 1447625 XTLRSGHZWXANFE-UHFFFAOYSA-N 446.938 5.084 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2cccc3ccccc23)s1 1454043 REGKTLKRZZAITQ-UHFFFAOYSA-N 447.610 6.228 0 40 IKAB COc1ccc(N[C@H]2Oc3cc4c(cc3[C@@H](c3cccc(OC)c3OC)[C@H]2C)OCO4)cc1 1642692 TVACMCACOWTLJP-JGJBJIOOSA-N 449.503 5.040 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 2317689 RYJPZEZVNCDUMS-INIZCTEOSA-N 429.582 5.266 0 40 IKAB CCc1cc([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 2551843 SEAZZFYKGISAHD-DEOSSOPVSA-N 436.596 6.523 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2ccccc2Sc2ccccc2)c1 2617771 XZRJEHIHLILSKV-UHFFFAOYSA-N 443.977 6.009 0 40 IKAB COc1ccccc1Cn1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 2970012 AWPHPOFHYONLJJ-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3Br)s2)cc1 3235185 ODTDFWQHCVTSSP-UHFFFAOYSA-N 435.372 5.083 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3235844 CXAXJUJRARXCCN-UHFFFAOYSA-N 439.739 5.482 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)c1cccc(C(F)(F)F)c1)oc1ccccc12 3322476 XFAUSCSRNLBTMA-UHFFFAOYSA-N 443.377 5.409 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 3347221 VTUQUYRILRKYLR-FQEVSTJZSA-N 430.548 5.999 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C[C@H](O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 3999421 AYNSZTKDERUHKJ-HPSOMAPOSA-N 431.620 5.198 0 40 IKAB biogenic CCOc1ccc(N[C@H](c2ccccn2)c2c(-c3ccccc3)n(C)c3ccccc23)cc1 6144149 MBKBTDVGVNRLLV-MUUNZHRXSA-N 433.555 6.841 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1-c1cnc2c(c1)COc1ccc(Cl)cc1-2 8448333 VUSWYMHLZRRBTE-UHFFFAOYSA-N 437.882 6.939 0 40 IKAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8753313 VJMXICPCJMERFH-HSZRJFAPSA-N 439.559 5.330 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c(C)c1 8922018 CAEJKNUQJRIMKO-SANMLTNESA-N 433.935 5.273 0 40 IKAB CC(C)c1ccc(-c2noc(CSc3nnc(C4CC4)n3Cc3ccccc3)n2)cc1 8966395 BALDCKYPMAKFCN-UHFFFAOYSA-N 431.565 5.670 0 40 IKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@@H]1C 9041949 IOJSASXMHFMQDT-MQQADFIWSA-N 434.451 7.353 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1S 9064744 FMTAEEKCNAORND-JXMROGBWSA-N 449.384 6.069 0 40 IKAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 9111740 MHRBBLQVVUKXOJ-LJQANCHMSA-N 428.561 5.212 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCC(c2ccccc2)=N1 9125779 QFMBQRYQHLADGG-UHFFFAOYSA-N 430.558 5.087 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CCOc3ccccc3)C2=O)o1 9235854 VGEQJETVZCXMLG-KGENOOAVSA-N 449.484 5.069 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)N2CC=C(c3ccccc3)CC2)cs1)c1ccccc1F 9377625 IOUBABOIGDCWTL-VAWYXSNFSA-N 447.535 5.296 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3cc(Cl)sc3Cl)sc2-c2ccccc2)cc1 9404645 YKJMMMRJOHUCQS-UHFFFAOYSA-N 445.396 7.406 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 9464409 LZNTVNIDCCMADV-JTQLQIEISA-N 438.862 5.555 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)cc1Cl 9517734 BAXSVDAPLKZNDQ-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 9541123 UPKCTNFNLYFYEU-UHFFFAOYSA-N 447.991 5.430 0 40 IKAB COc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1Cl 9639510 MYHZLMORRWUEPZ-LLVKDONJSA-N 434.974 5.123 0 40 IKAB NC(=O)C1CCN(C(=O)c2cc(-c3ccc(C4CCCCC4)cc3)nc3ccccc23)CC1 9643195 GTVFEUKMMRCBDJ-UHFFFAOYSA-N 441.575 5.287 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1c(C)nn(-c2ccccc2)c1C 9716002 QIRZQUZLJHCPCV-CCEZHUSRSA-N 431.536 5.116 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4ccc(Cl)cc4)c(C)c3cc2c1C 11691864 YXVJASXRUFDKDQ-UHFFFAOYSA-N 437.923 5.675 0 40 IKAB CCCC(=O)N1CCc2cc(OC)c(OC)cc2[C@@H]1COc1cccc(C(F)(F)F)c1 11726275 XVTBUKKNBNDWDG-IBGZPJMESA-N 437.458 5.028 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)C2CCCC2)c1 12420170 GXAPBFIBEHYHFO-IPVFLDMMSA-N 435.564 5.978 0 40 IKAB CSc1cccc2sc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nc12 12494033 CLGQIHBKTDYMCW-UHFFFAOYSA-N 433.602 5.063 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 12658094 HTNPEPVKCNCLSH-ZZIIXHQDSA-N 429.516 6.365 0 40 IKAB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 12855256 GLPNFMWAEZWKBA-UHFFFAOYSA-N 440.330 6.333 0 40 IKAB CN(CC(=O)N(C)C(c1ccccc1)c1ccccc1)Cc1ccc(Br)cc1 12911257 YRFKTIQOOJQIFH-UHFFFAOYSA-N 437.381 5.129 0 40 IKAB CCN1C/C(=C\c2cc(C)c(OC(F)F)c(C)c2)c2nc3ccccc3c(C(=O)O)c2C1 13096680 DZYPBJQHTDCBQD-GZTJUZNOSA-N 438.474 5.527 0 40 IKAB COc1ccc(-c2nc(CSc3nc(C)c(C)n3C3CCCC3)cs2)cc1OC 13109900 CRTFXPUWOILGML-UHFFFAOYSA-N 429.611 6.048 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 13120405 ZBTDLRARAOMNSE-QFIPXVFZSA-N 436.874 5.333 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)cc1 14495106 SMOQXRLCBPQWNA-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CN(c1ccccc1)c1ccc([C@@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)cc1 15108801 TUURELSYQGTWMG-MUUNZHRXSA-N 449.554 6.100 0 40 IKAB CSc1ccc(C(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)cc1 16768751 YONFURTVSMTXJR-UHFFFAOYSA-N 441.361 5.696 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 17099295 AZXRHLOXZNECRH-UHFFFAOYSA-N 434.927 5.767 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 19081925 AENVMVXRNXSSGZ-LAUBAEHRSA-N 434.411 5.504 0 40 IKAB Cc1ccc2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1C 20502334 SEIGUHUSQBICMN-UHFFFAOYSA-N 438.571 5.317 0 40 IKAB biogenic CCCCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 21595383 GBGKARNQCYIKDA-UHFFFAOYSA-N 430.508 5.033 0 40 IKAB COc1ccc(-c2csc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)n2)cc1 23118973 LMURCSITMXXYHA-UHFFFAOYSA-N 425.510 5.263 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc2ccccc2oc1=O 27744502 GCPQKSSHNXMIIF-FQEVSTJZSA-N 442.902 5.490 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2ccc(C(C)C)cc2)c2c[nH]c3ccccc23)cc1 27746178 DGKOPJBPEIXTBA-VWLOTQADSA-N 442.559 5.627 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ncnc5ccccc45)cc3)sc2c1 33386815 YSMXGBDINUJBKL-UHFFFAOYSA-N 426.501 5.232 0 40 IKAB Clc1ccc(/C=C2/CCC[C@@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 34258884 AMGADLQGZRNVQK-MHCOWZRKSA-N 433.382 7.794 0 40 IKAB COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1 34746380 NNSRSFWJVOMXKO-QFIPXVFZSA-N 443.330 5.098 0 40 IKAB O=C(O)CCCCCCCCCCN1C(=O)/C(=C\c2cccc(Cl)c2)SC1=S 35040450 LYJLQFRYTNTSFC-OBGWFSINSA-N 440.030 6.137 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cccc(-c4ccno4)c3)c12 36616997 AQSZFOIVHYRCDL-UHFFFAOYSA-N 435.487 5.514 0 40 IKAB CCCCCCN1c2ccc(Br)cc2Sc2cc(Br)ccc21 38347428 AQBNVQQWRLWFGT-UHFFFAOYSA-N 441.232 7.395 0 40 IKAB in-vitro CC[C@@H](c1nc2ccccc2c(=O)n1C1CCCCCC1)N1C(=O)c2ccccc2C1=O 44928629 ZURSVTIXXIQYIY-QFIPXVFZSA-N 429.520 5.039 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c1 49422030 GOPXWOBAEOTBKU-UHFFFAOYSA-N 430.552 5.319 0 40 IKAB COc1ccc(-n2cnc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)SCC(O)=N3)cc1 95480580 OJXSARFBRHCPJL-JOCHJYFZSA-N 439.537 5.101 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1 100558499 JALKQRRLGKTKIG-SGNDLWITSA-N 425.355 6.617 0 40 IKAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1nc(-c3ccccc3)c(C(=O)c3ccccc3)s1)C2=O 100936668 ZUWPTTAYSRUNES-WXTAPIANSA-N 444.556 5.357 0 40 IKAB CC1=CC(C)(C)N=C(SCc2ccc(Br)cc2)N1c1ccc(Cl)cc1 102457721 MJSZQTGJYTYORF-UHFFFAOYSA-N 435.818 6.894 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C(=O)OC)cc1 102650314 MFXZUKHOGRUQDA-XMMPIXPASA-N 432.520 5.676 0 40 IKAB O=C(c1cccs1)[C@@H]1C(c2ccc(Cl)cc2Cl)=NO[C@@]12C(=O)Nc1ccccc12 102898464 RISIPFOKZDLDST-LAUBAEHRSA-N 443.311 5.136 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118929603 XXQASABQMMKQBU-JBEOXVQGSA-N 448.759 8.557 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 218873673 AKWYBRQARUXKLV-INIZCTEOSA-N 432.402 6.126 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)c2)cc1 223436202 FWRVIPNHEMFKBG-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 223610069 LCXFJHULPFKUHJ-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224003679 JSGKHQYUILHYKV-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 224224813 MMSUWEMMFMAZLY-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 224269599 UKRAHOCLNSJLFL-LJQANCHMSA-N 447.044 5.153 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(C)c1 224385071 FEKPXVBPURCSAZ-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccnc1 224424851 BFFUWTMXSSRAHK-RPWUZVMVSA-N 443.551 5.200 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)s1 224484083 FFKSQJKSEQCIAI-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1cccc(Cl)c1 224490713 DIFLHJPWPKPKSY-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(Cl)c(C)c1 224548537 CBDVCLBHDKUNSV-UHFFFAOYSA-N 437.967 6.804 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(OCc2ccccc2Cl)cc1 224782416 ZWHKLAXRRQNGFT-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccccc1Cl 224820833 LNKDYLLOAGOCDS-JWGURIENSA-N 438.980 5.230 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225096026 KLHNAGNQHWGVBI-OALUTQOASA-N 447.044 5.214 0 40 IKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc(Cl)c1Cl 225338511 FRZMQQYLFFDXQV-UHFFFAOYSA-N 440.355 6.360 0 40 IKAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc(NC(=O)c2ccccc2Cl)cc1 257173313 JNTDMWIEZJTRFZ-GCJKJVERSA-N 426.944 5.014 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ncccc3c2)CC1)C1(c2ccccc2F)CCOCC1 257238088 HJNGOIDOZMKLAT-NRFANRHFSA-N 446.566 5.294 0 40 IKAB O=C1CC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)[C@H](c2ccc(F)cc2)CN1 257258038 KSDQJAFAVMYELW-VWLOTQADSA-N 442.534 5.019 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)cc1 257277746 NZETXMPGTQTOMG-QFIPXVFZSA-N 445.563 5.308 0 40 IKAB CCOc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc(Br)c1OC 408556334 JRENHWUDUWFYBX-GOSISDBHSA-N 442.762 5.288 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1 408696950 COILLSZRCJNDFI-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC1CCN(c2ccccc2NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408708110 OCYZUCCEPKSKHS-MRXNPFEDSA-N 446.378 5.221 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 409112625 FRBYAGIFMIRUHN-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409115868 LGTBGXQGZXPITI-UHFFFAOYSA-N 445.990 7.700 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4cccc(OC)c4o3)n2CC)cc1 409344758 GWHSGAWLRYBROR-UHFFFAOYSA-N 436.537 5.013 0 40 IKAB CCN1CCCCN(C(=O)CC2CCCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582962 WPOOCEUYGUVDRI-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)COc3ccccc3)n2)cc1 929109 WZAUEVWGQMIOML-UHFFFAOYSA-N 444.556 5.473 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)NCc1ccccc1 1106041 WQOPXJOCXWBHEQ-UHFFFAOYSA-N 448.522 5.883 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccccc1F 1333677 WNUPDTGPGTVPIT-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1336092 QZXKCWVSXKBYBL-DEOSSOPVSA-N 436.577 5.415 0 40 IKAB COc1cccc2cc(C(=O)N(Cc3ccco3)Cc3c(F)cccc3Cl)c(=O)oc12 1342124 WDOLUYJYRFPEOM-UHFFFAOYSA-N 441.842 5.030 0 40 IKAB COCc1cc(Sc2ccccc2C(=O)OC)nc(SCc2ccc(Cl)cc2)n1 1389100 CXAGFNFDSRNZMQ-UHFFFAOYSA-N 446.981 5.507 0 40 IKAB O=C(COc1ccc2cc(-c3ccc(F)cc3)c(=O)oc2c1)c1ccc(N2CCCC2)cc1 1893321 PVGKAMDWOSGQHX-UHFFFAOYSA-N 443.474 5.461 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Br)c1 1986346 CZLJWAMLFIHGDY-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(OC)cc1 2207997 MLKNRXBDPAWMLZ-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB COc1cc2c(cc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1)oc1ccccc12 2212644 LKFLQTNGTFXPBR-DHZHZOJOSA-N 436.920 5.774 0 40 IKAB Cc1ccc(CSc2nnc(-c3ccc(NC(=O)c4ccccc4F)cc3)n2C)cc1 2332696 VFEIHKJXXZCQSU-UHFFFAOYSA-N 432.524 5.474 0 40 IKAB CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccs3)sc2c1 2352962 QBNYOJCNVDGMMD-FQEVSTJZSA-N 444.537 5.776 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1ccccc1F 2436943 KJXLKKQLJGOVFQ-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2532770 ARTARFNKWZGDNM-UHFFFAOYSA-N 434.245 5.493 0 40 IKAB CC(C)N(C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C(C)C 3251179 FDUZXYZMSNTJPF-UHFFFAOYSA-N 436.524 5.547 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Sc1ccc(Cl)cc1)c1ccccc1 3311005 YWFGKYLLOSNURO-UHFFFAOYSA-N 427.938 5.235 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccc(Cl)cc2Cl)cc1 3326969 CJOHDEVXHABBET-UHFFFAOYSA-N 430.404 7.349 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 8431607 HYUZMXWPYFYBRQ-LITSAYRRSA-N 432.523 6.605 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1 8439116 FKKNUBXYIVLDNO-UHFFFAOYSA-N 425.326 5.983 0 40 IKAB CCOc1cc(NC(=S)Nc2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 8666980 WABWYBYEMDVSRE-UHFFFAOYSA-N 435.549 5.545 0 40 IKAB aggregator Cc1ccc(C)c(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)c1 8769507 ZMJTYFPQUQHDEI-UHFFFAOYSA-N 436.599 6.890 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc14)C(=O)N2)CCCC3 8870378 GAYPHJFDSONEHE-UHFFFAOYSA-N 432.501 5.140 0 40 IKAB CCc1ccc(-c2n[nH]c(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)n2)cc1 9053323 APQGXFOWTKEUNJ-QFIPXVFZSA-N 444.560 5.515 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 9209144 BVYRYVKPHCSNIS-VWLOTQADSA-N 429.520 5.004 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cc(C)ccc2C)cc1O 9410788 XWSNMZGOUZKQKG-UHFFFAOYSA-N 430.504 6.169 0 40 IKAB COc1cccc(-c2cc(OC(=O)COc3cccc(C)c3C)cc3sc(=O)oc23)c1 9430786 JSKHKUPQPRWOLG-UHFFFAOYSA-N 436.485 5.131 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2cc(Cl)ccc2s1 9512837 KXLBPEFWDHYDGE-LLVKDONJSA-N 434.011 5.871 0 40 IKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC 9675920 QQPZSKMPNLVXCP-UHFFFAOYSA-N 429.907 6.220 0 40 IKAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCCC[C@H]1c1nc2ccccc2s1 9764469 GTFSYCIEVWQTBD-KRWDZBQOSA-N 441.940 5.002 0 40 IKAB COc1ccc([C@H]2CCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c(OC)c1 9952627 BHTYNVTVRVYTCM-HXUWFJFHSA-N 446.507 5.054 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2ccc(-n3nc(C)cc3C)nn2)c2ccccc2)c1 11068989 GPVSDRZJNUFDIL-XMMPIXPASA-N 443.576 5.368 0 40 IKAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)CC3CCCCC3)n2)cc1OC 12442231 RSXLVXKGODDRFT-UHFFFAOYSA-N 440.569 5.230 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C)cc1Cl 12848354 PZRLIYLWMDCYJH-UHFFFAOYSA-N 436.821 5.064 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12 12895934 AYJBTECUFDWTBV-BUHFOSPRSA-N 447.490 6.347 0 40 IKAB biogenic COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2cccc(NC(C)=O)c2)cc1 12945281 JJBDDBSBUJHEOX-UHFFFAOYSA-N 427.504 5.373 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3cc(C)n(C[C@@H]4CCCO4)c3C)cs2)c1 13058235 RZWSEOWCVUWWNK-IBGZPJMESA-N 439.581 5.042 0 40 IKAB CC(=O)c1oc2ccccc2c1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 13114648 PLHBSUKABUOQHT-UHFFFAOYSA-N 438.534 5.021 0 40 IKAB CC[C@@H](Oc1ccccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009339 ZCEBEZXMHDSBRJ-RUZDIDTESA-N 428.576 5.086 0 40 IKAB COCc1c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)oc2ccccc12 14254432 XVAIALLSAWQQSQ-UHFFFAOYSA-N 440.543 5.127 0 40 IKAB COc1ccc(-c2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1OC 15008769 IDDHWBRVCNWHLF-UHFFFAOYSA-N 447.354 5.079 0 40 IKAB O=C(Nc1ccc2c(c1)S(=O)(=O)c1ccccc1O2)N(c1ccccc1)c1ccccc1 16487999 JYAKHEBZGJJXPT-UHFFFAOYSA-N 442.496 5.995 0 40 IKAB CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(C)cc3s2)cc1Br 16692163 PBTFGZAYPIBKOZ-UHFFFAOYSA-N 425.735 5.672 0 40 IKAB COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 16789541 PGZKYRFAPYXCKY-UHFFFAOYSA-N 443.359 5.937 0 40 IKAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@@H](Oc3nc(C(C)C)nc4sc(C)c(C)c34)C2)C1 19561597 VUOUDCPITFNXCY-GUDVDZBRSA-N 445.629 5.007 0 40 IKAB CC(=O)Nc1sc2c(c1[C@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CCCC2 19879453 OPMZEWYQQIRNOK-FQEVSTJZSA-N 438.515 5.026 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 20110305 GPSLHQSRIJNKHV-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20141249 CPYHEQFSRXSULE-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797340 YYJKCEZGLKXSEI-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4n4c(C(C)C)nnc34)c(C)o2)cc1 21658062 XGPWOUVFFKJRQW-UHFFFAOYSA-N 429.549 5.965 0 40 IKAB CC(C)OC(=O)c1cc(-c2nn(C)c(C(F)(F)F)c2Br)c(F)cc1Cl 22059330 FKLQIONHGSFYJY-UHFFFAOYSA-N 443.622 5.226 0 40 IKAB in-vitro CC(=O)N[C@H](CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1cccs1 22542843 HRGKYWXXRGBIRP-XXBNENTESA-N 426.607 5.406 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Sc1ccc(Cl)cc1)c1ccc(F)cc1 24985330 OCKOUYPAEQLKKV-UHFFFAOYSA-N 445.928 5.374 0 40 IKAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccsc1 25331855 WIINEMIKPFWHQB-KRWDZBQOSA-N 438.380 5.062 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)o3)cs2)cc1 26436332 QLRTUFPFVXIJSE-QGZVFWFLSA-N 427.482 5.137 0 40 IKAB COc1cccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)c1 28404724 XXTZCCCPHSIWRV-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB Cc1nc(CSc2ccc(C(=O)O[C@H](C)C(=O)N[C@@H](C)c3ccccc3)cc2)cs1 29009321 BCNYBWQNBLDWDW-JKSUJKDBSA-N 440.590 5.167 0 40 IKAB CCCNC(=O)c1ccc2c(=O)n(CC(C)C)c(SCc3ccccc3Cl)nc2c1 33076943 STOUZYCRXYWISG-UHFFFAOYSA-N 444.000 5.138 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)cc1C 33741713 CQIYYHZBUQEEIS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 35290203 ZCEUZYNMBQKOCD-UHFFFAOYSA-N 434.540 5.152 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cn3ccccc3n2)nn1 36652429 HHWMBWUBGTWUHW-UHFFFAOYSA-N 433.537 5.655 0 40 IKAB COc1cccc(NC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1OC 36709064 VGGIDGCIDFAAGK-UHFFFAOYSA-N 430.338 5.840 0 40 IKAB CC(C)n1c(S[C@H](C)C(=O)N2CCc3ccccc32)nnc1-c1cc2ccccc2o1 39758009 KKOJGFKLHWMWIA-MRXNPFEDSA-N 432.549 5.342 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960943 YMMKABHAHAVIKN-DUXBZUBYSA-N 426.025 6.927 0 40 IKAB CCOc1cc(C(=O)OC)cc(NC(=S)Nc2cccc(C(F)(F)F)c2)c1OCC 71761863 ZJSOHAWZVJWVTP-UHFFFAOYSA-N 442.459 5.098 0 40 IKAB O=C(Cc1cccnc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349388 HNUZUHNTJKIBHT-IBGZPJMESA-N 425.454 5.111 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CSC[C@H](NC(=O)/C=C\c1ccco1)C(=O)O 83259520 YEWYGZOGAGEKLT-CBYFNSFLSA-N 445.625 6.015 0 40 IKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(Br)c1CO 95451240 VAIFQIMVTORBJA-HNNXBMFYSA-N 426.310 5.014 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100211890 NMYYXEBZXDEMHM-NAMINWQUSA-N 425.370 5.345 0 40 IKAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)c1ccccc1 100366950 JJYPPLLEFKACEV-WVTMUAPCSA-N 449.635 5.412 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 100738873 DEBJOQKBFGGOGN-PUZFROQSSA-N 432.543 5.505 0 40 IKAB Cc1ccccc1OCc1n(CC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)c2ccccc2[n+]1C 102581642 OHZBSGJYECCCNY-LIXHSBQKSA-N 449.615 5.357 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)cc1 106296970 BYFPSTGQZHMVQF-MHZLTWQESA-N 434.495 6.182 0 40 IKAB CCSC[C@H]1CCCN1C1CCN(C(=O)NC(c2ccccc2)c2ccccc2)CC1 206792679 XPILJYWQYIYPSA-XMMPIXPASA-N 437.653 5.168 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(F)cccc1Cl 223173079 VYMQBBBPVJOYCW-JOCHJYFZSA-N 435.992 5.565 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 223532806 OCTBWEPBFYQJCR-DQEYMECFSA-N 445.636 5.573 0 40 IKAB CN(C(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 224246871 ZVUOJMUKZXWMKO-UHFFFAOYSA-N 449.359 5.095 0 40 IKAB CCc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 224319468 XQFIMOCKRSHQKP-KRWDZBQOSA-N 429.402 5.101 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COCc1ccccc1 224356836 MPUQESGNLHKLIN-UHFFFAOYSA-N 449.856 6.337 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224669183 FQQBHWKSEZCCGS-OAQYLSRUSA-N 436.596 5.055 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225239381 YWSFJKNXDUWACW-PMACEKPBSA-N 426.576 5.214 0 40 IKAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccc(Cl)cc1Cl 225335024 MOFBDAJVKSVBBU-UHFFFAOYSA-N 426.328 6.431 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)o1 257237319 HFYMMRJKUWSOEQ-QFIPXVFZSA-N 447.510 5.570 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN3Cc3c(C)cc(OC)c(C)c3C)nc2)c1 257288440 PUFFEZUMDPVJBC-HHHXNRCGSA-N 430.592 5.952 0 40 IKAB O=C(N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccccc2F)CCCC1 257326221 WWINOHJIUYRRRR-RUZDIDTESA-N 447.529 5.521 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2)n(CC)c1-c1ccc(Br)cc1 408564068 XKHWHDIAETUFND-LNVKXUELSA-N 429.383 5.693 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1 408604802 FFZCUYDDJKQISD-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1cccc(N(CC(=O)NC2CCCCCCC2)S(=O)(=O)c2ccc(Cl)cc2)c1 408624699 TZCTXJYXQBJXSM-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCC(=O)Nc1cccc2ccccc12 408646431 OETSJTCJWUIGBC-UHFFFAOYSA-N 438.911 5.092 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 408788311 DQLNKTWYXYDAOE-HHHXNRCGSA-N 438.552 5.866 0 40 IKAB Brc1ccc(CSc2nnc(COc3ccc4ccccc4c3)o2)cc1 409007356 PMVYNNBTSQQGRH-UHFFFAOYSA-N 427.323 5.857 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409127393 HIXOHBIMNQWJTM-UHFFFAOYSA-N 448.891 5.394 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)cc2)C1=O)c1ccccc1 409217594 DOECYURGZDSUAX-OEAKJJBVSA-N 447.487 5.324 0 40 IKAB CC(C)c1ccc(NC(=O)c2c(-c3cc(F)ccc3F)ccnc2N2CC[C@H](F)C2)cn1 1857524004 HRGJTEFGFUJXIF-INIZCTEOSA-N 440.469 5.346 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccc(Cl)cc1 832557 VHHJUSFYAJJOEF-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3c(C)cccc3C)nnc2-c2cccnc2)cc1 874218 MQRWGYMCNSYSTQ-IBGZPJMESA-N 443.576 5.374 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 879959 TYWRMIHQCXDERX-UHFFFAOYSA-N 439.556 5.208 0 40 IKAB O=C(c1ccc(Br)cc1)N(Cc1ccco1)c1nc(-c2ccccc2)cs1 882153 ZCCWMWBRIZPYRO-UHFFFAOYSA-N 439.334 6.013 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3cc2O)o1)Nc1ccc(Cl)c(Cl)c1 892351 USUCSHZNWIHEIB-UHFFFAOYSA-N 446.315 5.633 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 1340179 HIFZDMOBAHLGBL-UHFFFAOYSA-N 439.559 5.106 0 40 IKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1cccc(C)c1C 1353549 FMSUGPXJUCXHGI-UHFFFAOYSA-N 433.483 5.003 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@]2(Sc3ccccc3)S[C@@H]2C(=O)c2ccccc2)cc1 1570683 NKNCSWBBCULUOZ-YADHBBJMSA-N 426.584 5.213 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](CCC)NC(=O)OC(C)(C)C)c12 2096065 DCLXQSNZWRZPHU-QGZVFWFLSA-N 431.529 5.043 0 40 IKAB biogenic COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC 2252817 JIIXFVHEGACKTN-VMPITWQZSA-N 426.365 5.073 0 40 IKAB Clc1ccc(Cl)c(Nc2nc(Cl)nc(Nc3cc(Cl)ccc3Cl)n2)c1 2294286 JYPBICDEEDCAHV-UHFFFAOYSA-N 435.529 6.626 0 40 IKAB Clc1cccc(CSc2nc(-c3ccccc3)n(-c3nc4ccccc4s3)n2)c1 2321474 WDNOGTQOYCTSOB-UHFFFAOYSA-N 434.977 6.490 0 40 IKAB O=C(Nc1ccccc1)N1CCc2ccccc2[C@H]1Cc1ncc(C(F)(F)F)cc1Cl 3105466 LIYNJSOXIQLZNA-OAQYLSRUSA-N 445.872 6.128 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)Cc3ccccc3F)cc2)cc1 3226464 LYEZQQBLMZFPTG-UHFFFAOYSA-N 449.522 6.030 0 40 IKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccncc1 3250073 VBEBAEUVJUOYFM-GOSISDBHSA-N 434.801 5.291 0 40 IKAB O=c1c2ccccc2nc(SCc2cc(OC(F)F)ccc2Cl)n1-c1ccccc1 3264467 QMPDYLVDSHWGJB-UHFFFAOYSA-N 444.890 5.933 0 40 IKAB C[C@@H](c1nnc(SCC(=O)c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C 3376538 GWGDCIAVNWJTBL-ZDUSSCGKSA-N 435.380 5.172 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc2c(c1)CCC2 3405277 BHBIRBUCFNDTAA-UHFFFAOYSA-N 429.520 5.655 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 6135483 KRPFPOGTWVZIHD-UHFFFAOYSA-N 433.621 5.849 0 40 IKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2c(Cl)cccc2Cl)s1 6161550 NBRUHPWVDZHXAI-UHFFFAOYSA-N 442.371 6.245 0 40 IKAB c1ccc2[nH]c(SCCCCCCCCCCSc3nc4ccccc4[nH]3)nc2c1 6446915 YIPKMKHLLCZOKW-UHFFFAOYSA-N 438.666 7.444 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc3c2C1 8439336 ZYJBKPQFTOMOSE-INIZCTEOSA-N 441.549 5.473 0 40 IKAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 8752965 RQUWEDBPWFGNNK-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(C2(c3ccc(C)cc3)O[C@@H](c3ccccc3Cl)Nc3ccccc32)cc1 8816247 ZAWHAXHDACTFES-MHZLTWQESA-N 425.959 7.390 0 40 IKAB CC(C)(C)c1ccc(-c2nc3c4cnn(-c5ccc(Cl)c(Cl)c5)c4ncn3n2)cc1 9158080 NLCMRGINLWAQLC-UHFFFAOYSA-N 437.334 5.735 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9245462 PNWNZSZAACOSFZ-UHFFFAOYSA-N 434.883 5.158 0 40 IKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)c1 9304557 GXQRBJAJVQAXCL-XMMPIXPASA-N 440.506 6.539 0 40 IKAB O=C(CSc1ccccc1)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1 9315702 NLSTWDLFDLUSLP-UHFFFAOYSA-N 435.530 5.386 0 40 IKAB Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 9356612 KSIWDOVVUBJEEJ-QHCPKHFHSA-N 442.478 5.936 0 40 IKAB CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 9409243 YYDHBFYOJRUPGF-RUZDIDTESA-N 433.552 5.697 0 40 IKAB CCc1nc(SCC(=O)Nc2cccc(Cl)c2Cl)c2oc3ccccc3c2n1 9480102 KYGQZZBPSQZQTN-UHFFFAOYSA-N 432.332 5.976 0 40 IKAB COc1ccc([C@H]2NC(=S)C3=C(Oc4ccc(F)cc4C3)N2c2cccc(F)c2)cc1 9673654 MBCUEBNEIKMVCT-QFIPXVFZSA-N 436.483 5.256 0 40 IKAB Cc1ccc(Nc2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cs2)cc1C 9763532 ZNURKLUEDKNHIR-UHFFFAOYSA-N 441.600 6.389 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)NC1CCN(Cc2ccc(Cl)cc2)CC1 9792908 IYZJJNBCOVXDQY-UHFFFAOYSA-N 434.967 5.167 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10332456 VGVIHKNRDBCEJS-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 12548819 WJJFGEHFFGSGBA-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB Cc1nc2ncnn2c(C)c1CCC(=O)Nc1cc(Cl)ccc1Sc1ccccc1 12686998 PJBCVDWMJJYZFN-UHFFFAOYSA-N 437.956 5.117 0 40 IKAB Cc1cccc(NC(=O)CN(C)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c1C 12755520 CYTIUIITPSTYEK-UHFFFAOYSA-N 427.957 5.099 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@@H](c1ccccc1Cl)N1CCCC1 12804014 PKMUMOADCWJIKO-NRFANRHFSA-N 441.934 5.020 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1C 12868786 YBWCZQDUNGDCQH-SSEXGKCCSA-N 449.550 5.772 0 40 IKAB Cc1cccc(N2CCN([C@@H](C)c3nc(-c4cccc(C(F)(F)F)c4)no3)CC2)c1C 12991149 PNQUSSFOXYVWMZ-KRWDZBQOSA-N 430.474 5.255 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)cc1 13026648 QZQFHGQXUSKXIP-RUZDIDTESA-N 446.547 5.352 0 40 IKAB CCOc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2ccc(Cl)cc2)cc1 13134220 IMBAMUBFFGYXCS-HXUWFJFHSA-N 429.973 5.648 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1Cl 13367095 IPHMYPCIYLNJQK-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 13879584 VQZTWFHXCDLCNY-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB COc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc45)nn23)cc1 15081019 ITPWGHCYHKMEOD-UHFFFAOYSA-N 435.512 5.744 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(F)c4)cc3n2)c(C)c1 16678415 CJSTVMBLQFBFGB-UHFFFAOYSA-N 431.515 5.275 0 40 IKAB CCOc1cc(CNCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688473 XTYSMZVHHBLYBD-UHFFFAOYSA-N 434.338 6.400 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757688 LLIVPKUCYNONHY-OAQYLSRUSA-N 431.561 5.830 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17097393 NRYJYOROYQKGFV-VQHVLOKHSA-N 431.344 6.088 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)c(C)c1 17101800 JTTCFMARDXBUSV-UHFFFAOYSA-N 437.952 5.336 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1cccc(Cl)c1 17101835 DZMVMQNOXKAKAH-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 17103116 OEKRBRGHCMVWTC-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB Cc1nc2ccc3nc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)sc3c2s1 17144148 ZMBRHPORIXRKNG-UHFFFAOYSA-N 429.526 5.698 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CSc1ccc2ccccc2c1 18040348 OTWRBYPVCXRGMY-UHFFFAOYSA-N 433.360 5.336 0 40 IKAB C[C@@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)c1ccccc1 19459158 GWLXLHAGDCXGNK-RSPOEFSDSA-N 444.570 5.213 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 19648290 MXHYVBREULLAJT-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 20034855 JFNYDMNIWSCTMT-HXUWFJFHSA-N 428.579 5.066 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(F)c2)n2c(nc3ccccc32)N1 20797462 HMKBLJXHDDFFHB-QFIPXVFZSA-N 432.886 5.756 0 40 IKAB COc1cc(CNc2cc(C(=O)O)ccc2C)cc(Cl)c1OCc1ccc(F)cc1 20880994 DVCLMIYGJLLISD-UHFFFAOYSA-N 429.875 5.685 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 21596007 UXGBDADHNPBQEL-WYMLVPIESA-N 433.533 5.068 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC(F)F 29200198 AKPZHAMKTLWTAM-UHFFFAOYSA-N 442.422 5.135 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@H]2C1 34589113 QGGRDHGCNNAWIE-RFCYWISBSA-N 444.700 7.218 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CSc2nc(CCC3CCCC3)nc3ccccc23)c1 35292256 LRIKWVJMVYETLP-UHFFFAOYSA-N 448.592 5.442 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c1C 35535106 ZHORDEJFMUGINL-NXQMDHLFSA-N 437.580 6.208 0 40 IKAB Cn1nc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1NC(=O)CCC1CCCCC1 35683174 MUMIXUQHKZTAJO-UHFFFAOYSA-N 438.553 5.238 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 36610875 TWKMCDHWTSQHIJ-XEWWANBBSA-N 442.640 6.922 0 40 IKAB biogenic Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44852569 SWQVWKNINNJWDY-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(C)cc3)sc2-c2ccc(OC)cc2)cc1 59464307 OBZCZSWBQCLYMF-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB CCOc1ccccc1CNc1nc2c(-c3cccc(Cl)c3)nnn2c2ccccc12 67261458 PHVAMGBMRKQTAL-UHFFFAOYSA-N 429.911 5.609 0 40 IKAB Oc1nc(/C(Cl)=C\c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)nc2ccccc12 84585313 MVUZHZWMDXZUPW-VEMDQMBVSA-N 448.750 5.944 0 40 IKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 101192755 SDYDJBWUOMWXJC-TVYUQYBPSA-N 435.277 5.379 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102716931 UJBZXYAFASJMCL-OYHNWAKOSA-N 432.476 5.314 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(OC(C)C)c(Br)c3)C2=O)c1 106704106 CJCDWLKMMOOYME-ODLFYWEKSA-N 446.366 5.781 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106737184 KGYXQGQKWUDESH-SQKQDPHPSA-N 445.924 5.483 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@H](C)[C@@H]32)ccc1OCc1c(C)noc1C 109048118 SWKLBDWPNPBGNR-YNBLXMKKSA-N 438.568 5.319 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 222880025 GWMFONOZCQMAEC-FQEVSTJZSA-N 426.409 5.763 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223131451 VPCVPVBMQDVMTM-VWLOTQADSA-N 448.994 5.252 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](CC)C(=O)NC)cc1 223276075 XQPUMONJJCCQPT-OAQYLSRUSA-N 435.395 5.042 0 40 IKAB Cc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224007928 ZCMFFZGNSQDDDR-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)cc1 224144161 FYVMHPDEFMOLLN-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224183206 GJSRQSAAWYWFCG-DNQXCXABSA-N 445.975 6.481 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1C 224264936 RCCQDLYJYPMOFG-FTJBHMTQSA-N 444.648 6.409 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(C)c(C)c1 224290274 MWKFCNBRNVDIMT-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224363903 BPLCKPWDEQLRMQ-FQEVSTJZSA-N 436.577 5.010 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc2ccccc2c1 224639971 PZEWVCULBCLLOI-UHFFFAOYSA-N 439.555 6.941 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)NCC(C)C)cc1 224696498 UJJQUYOCJIULBB-DEOSSOPVSA-N 443.031 5.415 0 40 IKAB COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224958835 QHGCFKRSENSTQB-UHFFFAOYSA-N 432.907 5.643 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225051574 XCMWTTSYXLKFQP-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225055722 RUTRXFCSDYZBBY-AREMUKBSSA-N 434.624 5.492 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225536500 YOCVIGIRSWKGSF-SFHVURJKSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 225657038 MRDKTEQGDKTGMX-YKSBVNFPSA-N 442.575 5.015 0 40 IKAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)CC1 225960347 PTPUCMOYEQWCTD-IBGZPJMESA-N 447.608 5.553 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408574594 SLNNKUKWBWWVIZ-ACCUITESSA-N 441.516 5.382 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1 408578857 ZWQXJVYIEWNQMU-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 408644402 FLEUTCOUFSIHIG-UHFFFAOYSA-N 438.527 5.822 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccccc1Cl 408647534 ULMMOFMKGYIWJV-UHFFFAOYSA-N 434.854 5.490 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659253 KIZAQFMZDRPXIZ-SFHVURJKSA-N 440.326 5.543 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409044878 CZFFPFGLVKMKML-ZBVBGGFBSA-N 449.525 5.866 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(Cl)c4)C3=O)c[nH]c12 409158045 JYSMKCCPCLESCR-NVMNQCDNSA-N 439.924 5.059 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccc(C)cc3)cc2)cc1 409166407 FNRPJMWEAJEIPD-SFHVURJKSA-N 440.590 5.224 0 40 IKAB O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1Cc1ccccc1 409385783 IYOBTVGIQPKEGH-SOFYXZRVSA-N 432.284 5.336 0 40 IKAB CCN(CC)C(=O)c1ccc2c(c1)CN(CCC(C)C)CCCCCCCN2C(C)=O 643575402 IXFICAVQCMSOLG-UHFFFAOYSA-N 429.649 5.334 0 40 IKAB Fc1cc(C(F)(F)F)cc(F)c1Oc1c(F)cc(Br)cc1Br 1504250367 IIIAVMXNHBHABE-UHFFFAOYSA-N 449.970 6.440 0 40 IKAB C[C@H](CCC[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)C(=O)O 2060993565 ITZYGDKGRKKBSN-XAUSLUJGSA-N 434.661 5.504 0 40 IKAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)C1(c2cc(Cl)ccc2Br)CC1 2362804264 CHVVVQWGRZNCNM-UHFFFAOYSA-N 446.769 6.264 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccc(F)cc1 646594 SCJFVJUSBHXBEU-CYBMUJFWSA-N 435.446 5.099 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1ccc(F)cc1F 883845 QVLZJUSLOXTTLX-UHFFFAOYSA-N 425.382 5.171 0 40 IKAB O=C(Nc1ccccn1)c1cc(-c2ccc(-c3ccccc3Cl)o2)nc2ccccc12 952558 WETDOENCWZSVGK-UHFFFAOYSA-N 425.875 6.463 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(Cl)cc1 1264334 HUQQKHQKJUONML-UHFFFAOYSA-N 427.879 5.086 0 40 IKAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C 2623203 FXGJVKLAXIFOQI-OAHLLOKOSA-N 430.599 5.191 0 40 IKAB Cc1nc(SCCOc2ccc(Br)cc2)c2c3c(sc2n1)C[C@@H](C)CC3 2626319 RDYCLGPBDSZCGA-LBPRGKRZSA-N 449.439 6.058 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccc2)c1 2684603 DEOXZMGABYPIOM-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1cc(Cl)ccc1-n1c(CSCc2ccccc2Cl)nc2ccccc2c1=O 3050378 DSAJTZXEHYFUMY-UHFFFAOYSA-N 441.383 6.434 0 40 IKAB Cc1ccc(NC(=O)c2cccc(OC(=S)Nc3cccc4ccccc34)c2)cc1C 3087767 FDPXLEKNMPRAGW-UHFFFAOYSA-N 426.541 6.485 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(Cl)ccc4Cl)nc3c2)cc1 3139272 QONVCJKGJVGINC-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB Cc1ccc(C(=O)C[C@@H](Nc2ccc(Br)cc2)c2ccc(C(C)C)cc2)cc1 3152029 NOQSENIQUPQVLR-XMMPIXPASA-N 436.393 7.307 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(C(=O)O)cc1 3243275 YSODKPKUYKTBKI-XNTDXEJSSA-N 427.435 5.029 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)CCC(=O)c2ccc(Cl)cc2)c2ccccc2)c1 3275916 MZCOFMGDUNVPSN-VWLOTQADSA-N 449.934 5.843 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N(CCC(C)C)CCC(C)C)s1 3316737 LHOKOBFFBSFYPM-UHFFFAOYSA-N 434.675 5.911 0 40 IKAB Clc1ccc(-c2csc3ncnc(Sc4nnc(C5CCCCC5)o4)c23)cc1 3416896 YTVVXLSPXQTQAB-UHFFFAOYSA-N 428.970 6.594 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)O[C@H](C)C(=O)c2c(C)[nH]c3ccccc23)c1 3443822 GWVGVVDFSBFWAM-QGZVFWFLSA-N 432.476 5.088 0 40 IKAB CN(C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 6906552 SWALGPRZWCNYDD-LEAFIULHSA-N 429.604 5.762 0 40 IKAB CC(C)c1cc(C(=O)OCC(=O)NCC23CC4CC(CC(C4)C2)C3)c(O)c(C(C)C)c1 7191705 DAPFWTSHRZBWOE-UHFFFAOYSA-N 427.585 5.128 0 40 IKAB Cc1ccc2cccc(OC(=O)c3ccc(COc4ccc(C(C)(C)C)cc4)cc3)c2n1 8161039 SVMXQAQHCXIUPK-UHFFFAOYSA-N 425.528 6.639 0 40 IKAB CCC(=O)Nc1cccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)c1 8432216 LYLTWDHOBPIASR-FLFQWRMESA-N 425.579 5.727 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)c1 8589873 WPLAAFPDBCOVGU-UHFFFAOYSA-N 441.314 6.841 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717699 RAQSTIMHJILCDJ-VWLOTQADSA-N 443.978 5.876 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1 8750425 AEJWPFSHIYUHLX-UHFFFAOYSA-N 427.526 5.036 0 40 IKAB CC(C)CCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 8766555 HFFJJUMFXHGGQK-UHFFFAOYSA-N 438.575 6.251 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 8831370 MCIFWLOPVOGCPS-UHFFFAOYSA-N 441.778 5.264 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 8868769 GSYUQMKGEBRQCT-XMMPIXPASA-N 449.547 5.332 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)cc1 8973457 ZLFMFJYWFCOBGM-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB CCCc1oc2ccc(NS(=O)(=O)c3cc(C)c(C)cc3C)cc2c1C(=O)OCC 8974129 YGZMLANEEHQWKT-UHFFFAOYSA-N 429.538 5.288 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9282765 CELCRSFJMUCOPG-NRFANRHFSA-N 448.931 5.622 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 9410602 SBXHVRDJGIZGET-IAQYHMDHSA-N 442.850 5.216 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2ccccc2n1Cc1ccccc1 9553789 AJURNCZBDRFLHG-UHFFFAOYSA-N 432.523 6.521 0 40 IKAB Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 9641408 VQIGUPNTZCGYBM-UHFFFAOYSA-N 430.529 5.130 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc([C@@H](C)Oc4ccc(F)cc4)o3)c[nH]c12 9669728 IBUDFGOCJKWSGX-CYBMUJFWSA-N 425.485 5.367 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 9707735 MYDJSYQPJRRKKJ-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OCCC)cc2)cc1 12137798 RKLZXFLHFHJWNS-UHFFFAOYSA-N 432.520 5.769 0 40 IKAB COc1ccc(C2=NC[C@H](CSc3ncnc4sc5c(c34)CCCC5)S2)cc1 12531789 MRQNTUHILCKISK-OAHLLOKOSA-N 427.620 5.233 0 40 IKAB O=C(CSc1nc(-c2cccs2)cn1-c1ccccc1)NCc1ccc(Cl)cc1 12537587 SMSWQSADGZUMGO-UHFFFAOYSA-N 439.993 5.663 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCC(C)CC4)cc3)o2)cc1Cl 12843019 VVRMAZCDKCYAOR-ZRDIBKRKSA-N 434.967 6.797 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3nc(C)no3)cc2)c1 12888930 HEOODOOOEDEFHW-UHFFFAOYSA-N 431.517 6.023 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)c3ccccc3n2)o1 13148377 XILZGGPTLZKDSC-UHFFFAOYSA-N 442.515 5.896 0 40 IKAB COc1ccc(-c2nc(C)c3c(C)c(C(=O)Nc4ccc(OC)cc4OC)sc3n2)cc1 13691095 RCPFAQQIYFHCOJ-UHFFFAOYSA-N 449.532 5.253 0 40 IKAB CCc1ccc(OCCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 13828252 DNFKAWPZFQXMAM-UHFFFAOYSA-N 447.623 5.697 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(Cl)cc3Cl)n2)c1 13960805 BAIUEBJUAMTDRG-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB O=C(OCCCc1nc(-c2cccnc2)no1)c1ccccc1-c1nc2ccccc2s1 14066817 CIPPTPOWEUQAMZ-UHFFFAOYSA-N 442.500 5.198 0 40 IKAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 15987163 RJIZKIVEFVWZOO-OAHLLOKOSA-N 446.400 6.281 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)c1cccs1)Nc1ccc(Cl)c(C(F)(F)F)c1 15998070 FHMDDCNBGFXFDK-UHFFFAOYSA-N 442.846 5.294 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 16162120 RTQPCUQBYNMXJI-UHFFFAOYSA-N 428.536 5.578 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cc1 16263029 YQCQOPJFPGSFFA-MRXNPFEDSA-N 425.863 5.205 0 40 IKAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3ccc(C)cc3C)c3ccccc23)cc1 17041729 KYQXKTLKJWGAKM-UHFFFAOYSA-N 446.572 5.179 0 40 IKAB C[C@H](NC(=S)NC(=O)c1cccc2c(Cl)cccc12)C12CC3CC(CC(C3)C1)C2 17095233 JTQJNIRPSOZYBD-IOAHRDFVSA-N 427.013 5.702 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccccc1Cl 17095283 GMULACSOIMZPFR-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)nc2)cc1 17096624 BRTFZOBRZKXEKS-RTBURBONSA-N 429.564 6.613 0 40 IKAB C=Cc1ccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)cc1 17097263 IYHNTRSFSZTFKM-UHFFFAOYSA-N 430.935 6.579 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C(c1ccccc1)c1ccccc1 17097926 AJVVGRBRXYLJHE-UHFFFAOYSA-N 432.479 5.258 0 40 IKAB CC[C@H](C)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 17099459 UUBLTVFLMBMXDE-LBPRGKRZSA-N 435.387 5.406 0 40 IKAB CCCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 17099885 OXJAEBBLKZQPHZ-ZDUSSCGKSA-N 435.973 5.419 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(-c3ccccc3)cc2)cc1 17100274 FTHGWWNOWLMSQP-UHFFFAOYSA-N 436.511 5.772 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)nc2cc1Cl 17101695 HBWOAXUZUYXYAS-UHFFFAOYSA-N 437.735 7.077 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 17315979 SVXNNZXIWGPVLD-UHFFFAOYSA-N 438.940 5.179 0 40 IKAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)cc2n1 19452294 LYTMMXOTUNAYTN-KRWDZBQOSA-N 446.521 5.165 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Cl)c(OC)c(Cl)c2)c(C)c1 19631417 WMOWSUKZEAEWHI-UHFFFAOYSA-N 440.396 5.283 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2cccc(-c3ccc(F)cc3)c2)ncc1C(=O)N(C)C 19765584 OTFHTQXZJSIUBA-DEOSSOPVSA-N 432.543 5.020 0 40 IKAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)n1 20058982 DEGCPKNXPRABSP-UHFFFAOYSA-N 449.602 6.644 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(C)c1 20143140 XHCCQTDTPDXPOX-UHFFFAOYSA-N 430.298 5.079 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nn12 20609631 WQYLIXWKHOKZLK-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)c1 21579355 AZNRCRBEOVETFQ-UHFFFAOYSA-N 444.874 6.669 0 40 IKAB COc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22076347 SCRXYGARKMENGA-UHFFFAOYSA-N 426.727 6.117 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)o3)n2)cc1 22461476 AQTZOYORDTUZKE-UHFFFAOYSA-N 440.253 5.020 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc2c(Cl)cccc12 22527825 NEKJKJGRGDLYIM-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c1 24613757 QOACYJPPQBNHGW-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30938688 VWWGTRGOVQSHNR-GFCCVEGCSA-N 432.178 6.151 0 40 IKAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 31816158 YPUKXAKWKIWYMT-XCLFUZPHSA-N 425.941 5.436 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1nc(-c2ccco2)no1 32809264 FLAKQSANEWGMGN-HNNXBMFYSA-N 427.489 5.702 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1C 35334912 WBTZQQVYSVJWMD-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44949479 IXJKBWRMOFLEOJ-GOSISDBHSA-N 448.868 6.567 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c2ccccc21 48314769 CJASKXAATPESHU-UHFFFAOYSA-N 437.543 5.336 0 40 IKAB Cc1nc(-c2cc(Br)cs2)sc1C(=O)N1CCC[C@H]1c1ccncc1 48326205 YYRBAPGQQVRHLP-AWEZNQCLSA-N 434.384 5.315 0 40 IKAB COc1cc2sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)nc2cc1Cl 57313915 UBRQWLJOGNYNNY-UHFFFAOYSA-N 432.973 6.052 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1 57486726 LPHDKDSHDXPYKE-UHFFFAOYSA-N 443.290 5.159 0 40 IKAB O=C1c2c(c(-c3ccccc3)nn2-c2ccccc2)[C@H](c2ccccc2)N1c1ccc(O)cc1 66088132 QCYZLWNAALIPKB-MHZLTWQESA-N 443.506 5.995 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2c(Cl)cccc2Cl)cc1 67197125 MXKCJPDXAAMLJF-NZQKXSOJSA-N 425.315 6.244 0 40 IKAB CC(C)c1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 67245632 IPMAOTODNVVFNW-UHFFFAOYSA-N 448.997 5.602 0 40 IKAB Cc1cccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(OC(F)(F)F)c2)n1 67296807 CHJKSJWJSREWCI-SLMZUGIISA-N 439.393 5.520 0 40 IKAB Cc1ccccc1C1=NN(C(=O)CCCC(=O)O)[C@H](c2cc3ccccc3nc2Cl)C1 71924258 YADSSSNFAXUDKS-NRFANRHFSA-N 435.911 5.129 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CCC2CCCC2)CC1 72345058 XLAAUOOYXDABHM-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4csc5ccccc45)CC3)o2)cn1 100155921 QDGDWWGTCHKSKR-CALCHBBNSA-N 432.549 5.359 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4c(Cl)cccc4Cl)C3=O)c[nH]c12 106717596 ZEYRBUCCMMYGQS-NVMNQCDNSA-N 431.344 6.274 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222567269 PAJDMPUJJMXMAQ-ZJSXRUAMSA-N 440.653 5.242 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222801079 AFDJVZDWYNKPEP-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB C[C@@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841829 IPWWSOBHKCGADR-FQEVSTJZSA-N 434.967 5.006 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cc(C)ccc2C(C)C)cc1 223514125 IBXUBYJIOLXLOA-UHFFFAOYSA-N 439.939 6.590 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc4ccccc34)ccc2C)cc1 224057613 KPQUMDYTMSDSSC-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc2ccccc2c1 224312847 DJNPDIWDMJYLIY-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 224565109 QZRMJBMFRKMQFB-UHFFFAOYSA-N 446.528 5.292 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224648200 VQDMYPDHBHDMSD-IBGZPJMESA-N 443.518 6.448 0 40 IKAB COc1cccc(-c2cnc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)c1 224848316 MEDZJIOLCUDMRI-UHFFFAOYSA-N 426.516 5.512 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)ccc1F 224889347 ALQDPUBNKRYHTN-ZWKOTPCHSA-N 448.386 5.530 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)ccc1F 224906440 DEPNPCIAJSWEMK-RPWUZVMVSA-N 446.526 5.636 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224925601 QMMRLXLADDBXPO-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225528106 TVWPKEBYEMCUSL-GCJKJVERSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225547372 VPUCNPIYBWWEBE-PXDATVDWSA-N 438.612 5.219 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@]12C 248264131 NPYXBHZQVNRAOF-GXNJMDDTSA-N 430.717 7.405 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(I)[C@@]4(C)CC[C@H]32)C1 256447600 OFYWDQNTPMUZEH-TWYNJABESA-N 440.365 5.810 0 40 IKAB COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2ccc(Cl)c(Cl)c2)c1 257222303 DSTPUBAFIQFBOZ-UHFFFAOYSA-N 444.314 5.396 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCC[C@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 257271562 MYUZHJANSZDPRY-DEOSSOPVSA-N 447.460 6.293 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC(Cc4cccc5ncccc45)CC3)CCOCC2)cc1 257328831 XHGOQKUGQWUFPA-UHFFFAOYSA-N 428.576 5.073 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1 408575657 OXFXPRJLHWKFEM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408641095 JRDUMGVOYRVAJO-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB O=C(NCc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408692557 PHFQRTIGULQCQG-UHFFFAOYSA-N 441.293 5.310 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1Cl 408700148 ZCBFWVLQCUYBJY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 408700589 IKKJTZDNPKGDMM-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 409153323 HRYGLKHJHIXHNL-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB COc1cc(C[C@H]2SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 409162064 QUYFYNLMCLYJIY-HSZRJFAPSA-N 433.529 5.081 0 40 IKAB COc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 409183112 PWTBVGWHUPSGGP-MUUNZHRXSA-N 434.539 6.369 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Cl)c1OCc1cccc(C(=O)O)c1 409192601 FGHTXEYKSOPSSJ-UHFFFAOYSA-N 425.893 5.903 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 409411941 NZDHNMCGNGMUBJ-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC(C)Cc1nc(COc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265033 CSZOIKVOASUCCR-UHFFFAOYSA-N 440.337 5.987 0 40 IKAB Cc1c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(F)c4)o3)C2)[nH]c2ccc(F)cc12 2037846835 ZJKQKCVCGVCDSU-KRWDZBQOSA-N 435.474 5.353 0 40 IKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)Nc1ccc(Cl)c(Cl)c1 676131 XLECJXXTLYGOTO-UHFFFAOYSA-N 427.334 6.214 0 40 IKAB Cc1nc(-c2ccc(NC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cs1 719895 XQQIMAXPMPSMPX-UHFFFAOYSA-N 441.306 5.240 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccccc2C)c1C 778380 FKIVIWVWIKURBQ-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1ccsc1[C@H](C(=O)NC1CCCCC1)N(C(=O)C(F)(F)F)c1ccc(F)cc1 800141 SHNRULHSVSAYRG-QGZVFWFLSA-N 442.478 5.281 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)N1CCCCC1 1176012 CLWUYTGIBRKIRP-SDNWHVSQSA-N 436.353 5.328 0 40 IKAB CCc1cccc(NC(=O)c2c(C)n(C(=O)c3ccc(Cl)cc3)c3ccc(OC)cc23)c1 1425937 UWQKUUAWOXJHDT-UHFFFAOYSA-N 446.934 6.115 0 40 IKAB CCOC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@@H](C)C2 1809173 GIOHTOFQRCCLGP-OPCAMPFDSA-N 448.382 5.424 0 40 IKAB CCOc1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1817075 WJHVINBDXKDFCK-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB O=C(NCc1cccs1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2137618 XGIQHJOINUKDGP-UHFFFAOYSA-N 427.485 5.103 0 40 IKAB biogenic CCOC(CSc1nc(SC)nc2sc3c(c12)C[C@@](C)(CC)OC3)OCC 2215483 DDEHDKHUBPRPIL-LJQANCHMSA-N 428.645 5.146 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1cccc(Cl)c1Cl 2228647 UTWFALVWXPRPQE-UHFFFAOYSA-N 445.733 6.103 0 40 IKAB Cc1cc(N2COc3c(cc4c5c(c(=O)oc4c3C)CCCC5)C2)ccc1Br 2447499 MCICDVZWAVRVJW-UHFFFAOYSA-N 440.337 5.408 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1c(F)cccc1F 2617098 ZBSORPZFXMSRIU-UHFFFAOYSA-N 425.435 5.445 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)N1CCc2ccccc21 2624087 RGBJRCYFILKBRZ-UHFFFAOYSA-N 438.984 5.395 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccc(C)cc3C)nnc2-c2cccnc2)cc1 2643034 DDPFJXJCZMUXOZ-UHFFFAOYSA-N 444.560 5.320 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1 2654523 OMNPGXLCWXGPRN-FQEVSTJZSA-N 448.950 5.932 0 40 IKAB COc1cc(SC)ccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2664319 DSGYBHJPSLBJJY-UHFFFAOYSA-N 432.570 6.460 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3cccc(Cl)c3)ccc12 2667544 JQAYVOMBEFWTAZ-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB biogenic O=c1c2cc(-c3ccccc3)sc2nc(SCc2ccccc2F)n1-c1ccccc1 2679298 WDQXLYZWOFSURG-UHFFFAOYSA-N 444.556 6.546 0 40 IKAB O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@@H]1CCCO1 3164004 PDFINVHQUYHSJC-CABZTGNLSA-N 436.550 5.007 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 3220819 BZBBRVQZSIXRMB-UHFFFAOYSA-N 441.000 6.061 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)c1ccc2ccccc2c1 3372151 HQUNFLGNSKIAKY-UHFFFAOYSA-N 426.497 5.166 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc43)c2C1 4522046 PUBFPGMRGYRKEK-GOSISDBHSA-N 447.600 6.928 0 40 IKAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1OC 6144166 ODHRQQFJCZPNCQ-UHFFFAOYSA-N 426.303 6.364 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2ccco2)nc2ccccc12 6147394 UVPGWSPHDZUORT-UHFFFAOYSA-N 430.467 6.290 0 40 IKAB COc1ccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 6973782 FJPBAFUJHGNZJV-UHFFFAOYSA-N 437.443 5.275 0 40 IKAB CCCCCCc1ccc(C(=O)Nc2ccc(Oc3ccc(Cl)cc3Cl)cc2)cc1 8432588 RTYRWEGVMFXONU-UHFFFAOYSA-N 442.386 8.161 0 40 IKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 8754799 XIOBWEQIDRKZLP-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB CCCCOc1cccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 8768854 JFRRRFNUWOMVBO-UHFFFAOYSA-N 437.352 6.335 0 40 IKAB Cc1c(Cc2ccccc2)sc(NC(=O)COc2ccc(Cl)cc2Cl)c1C(N)=O 8915877 GYRKMZGGDRHMHI-UHFFFAOYSA-N 449.359 5.071 0 40 IKAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 9064629 BJTCXHYVOPTVPN-UHFFFAOYSA-N 447.560 5.131 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 9129180 ZEBURDDBFPISFB-NKFKGCMQSA-N 443.842 5.217 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)ccc1OCC(C)C 9168795 RQDLIQBJFDPZIR-UHFFFAOYSA-N 439.537 5.064 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc2cc(OC)ccc2c1 9331975 KEMIVPOACQDCTL-UHFFFAOYSA-N 431.513 6.006 0 40 IKAB COc1cc(C(=O)Nc2ccc3oc(C(=O)c4ccccc4)c(C)c3c2)cc(OC)c1OC 9419239 FQPZDBOGUMGMRD-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB COc1ccc(C)cc1NCC(=O)N1N=C(c2cc3ccccc3o2)C[C@H]1c1ccco1 9469947 JFLHUZSVZXCIMM-FQEVSTJZSA-N 429.476 5.133 0 40 IKAB Cc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9525785 ZBDNPNWWSQSWRE-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB C[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1ccccc1 9584980 JLJOIZWUNZMXNZ-MRXNPFEDSA-N 449.963 5.009 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)c1 9741254 OJBUMRHJBPCBGV-UHFFFAOYSA-N 442.949 5.273 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1NS(C)(=O)=O 10315291 HMUGAVLEKWPYLZ-UHFFFAOYSA-N 430.913 5.065 0 40 IKAB C/C(=N\n1c(-c2ccccc2F)cs/c1=N\CCc1ccccc1)c1ccc(Cl)cc1 12311392 FVNKLSKJKNSSCW-WVTVQVCXSA-N 449.982 6.425 0 40 IKAB CCc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12413315 VENHZHUFMIOCPA-VWLOTQADSA-N 448.975 5.382 0 40 IKAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 12529252 DRLQYRAHNGPDIT-CCLHPLFOSA-N 441.575 5.401 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccc(Cl)cc2Cl)N1 12559595 BZZOWUSPHDXQKS-OAQYLSRUSA-N 435.314 5.792 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1 12600011 KRQUMOUOMNYOPS-INIZCTEOSA-N 426.310 5.956 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 12604422 PEXROWPXPWDGOH-UHFFFAOYSA-N 441.600 6.083 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 12630065 WDTHZOBUYLNDMS-UHFFFAOYSA-N 425.557 6.158 0 40 IKAB Cc1ccc2c(Cn3cnc4scc(-c5ccc(Cl)cc5)c4c3=O)cc(=O)oc2c1 12795094 DXKPIIYSQXXSMM-UHFFFAOYSA-N 434.904 5.242 0 40 IKAB CCSc1nnc(NC(=O)CCc2c(-c3ccc(OC)cc3)[nH]c3ccccc23)s1 13128052 TXFVIFJNPQJJBW-UHFFFAOYSA-N 438.578 5.378 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13899280 XNFRWRXQCCHLLO-LBPRGKRZSA-N 434.841 6.177 0 40 IKAB O=C([C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1)N1CCCC1 14128975 DAVOYRMRLLSDFB-DEOSSOPVSA-N 443.547 5.892 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(C)c(C)cc3o2)c1 14272384 AGZZASXINFUTEN-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)CSc2ccc(Cl)cc2)cc1 16044046 DLIOOIZLOMVKEC-UHFFFAOYSA-N 433.957 5.377 0 40 IKAB COc1cc2c(cc1NC(=O)CCc1c(C)c3ccc(C)cc3oc1=O)oc1ccccc12 16261069 GITKMMZARXCQHY-UHFFFAOYSA-N 441.483 5.889 0 40 IKAB CC(C)(C)c1ncc(-c2nnnn2-c2ccccc2)c(-c2ccc(Cl)c(Cl)c2)n1 16323323 KOJGXMWOTUVHPI-UHFFFAOYSA-N 425.323 5.391 0 40 IKAB CCCCCC(C)(CCCCC)c1ccc2c(c1)OCCOCCOCCOCCO2 16637837 VLXYCZJDBBSZND-UHFFFAOYSA-N 436.633 5.926 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17095168 MIKBOCAZBRUJKI-BJMVGYQFSA-N 426.891 6.009 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc(Cl)c2)c1 17246674 KVLDVFFSIFURHU-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CCn1nc(C)c(C(=O)N2CCC[C@@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)c1C 19523705 PYJDTSOKTTVBRN-OAQYLSRUSA-N 441.579 5.391 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1cccc(OCc2ccccc2Cl)c1 22258500 OJADQAKYWHNUPC-UHFFFAOYSA-N 434.692 6.073 0 40 IKAB Cc1ccccc1-c1noc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)n1 23127072 PYRLTPSSGARJEY-UHFFFAOYSA-N 446.557 5.313 0 40 IKAB CC1=NN(c2ccccc2)C(=O)[C@]12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 25184306 XSQHHQMZTNHFGM-TZIIFLTASA-N 435.571 5.480 0 40 IKAB CCOc1ccccc1NC(=O)COc1cc(-c2ccc(OC)cc2)nc2ccccc12 32985626 QLGIVAFDYHZHRR-UHFFFAOYSA-N 428.488 5.327 0 40 IKAB O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)Nc3ccccc3)sc2c1 33000398 IEWGPXYOZPJMGQ-UHFFFAOYSA-N 449.557 5.045 0 40 IKAB CCOc1ccccc1-c1cc(-c2ccc(N(C)C)cc2)cc(-c2ccccc2OCC)n1 34541456 KNKCKJLEAAAJQH-UHFFFAOYSA-N 438.571 6.946 0 40 IKAB COc1ccc(-c2nc3ccc(C)cn3c2Nc2ccc(Br)cc2)cc1OC 35615926 XDQUXHPMHQSOFL-UHFFFAOYSA-N 438.325 5.833 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 38757323 OOEFOXGXICCJNE-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB COc1ccc(CNc2oc(-c3cccc(C)c3)nc2S(=O)(=O)c2ccccc2)cc1 39844530 HHEMTLMOECECGP-UHFFFAOYSA-N 434.517 5.104 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 44843047 SRFWWNQJZSBBTG-HYBUGGRVSA-N 430.548 5.591 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 44916182 FDSITPOUCIBXOK-UHFFFAOYSA-N 446.994 5.227 0 40 IKAB COc1ccc(/C=C(\C)c2nc(-c3ccccc3)nc(-c3ccccc3O)n2)cc1OC 66087656 HJWCNSJTKISPHD-BMRADRMJSA-N 425.488 5.489 0 40 IKAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1c[nH]c2ccc(Br)cc12 111673528 SFVYGZJNEFMZPX-IUXPMGMMSA-N 446.757 5.188 0 40 IKAB Cn1cc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 214914208 VAZHTOOYKFDKMU-VCHYOVAHSA-N 427.323 5.177 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 222845179 KPQNMAMUAOVYEK-AREMUKBSSA-N 446.591 5.113 0 40 IKAB Cc1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1N(C)S(=O)(=O)c1ccccc1 224195683 TYBZBTCYYOTUNV-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 224575969 TYJSKDPCOCHPEP-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2F)s1 224993944 ZQEGBOXXCGCIBC-UHFFFAOYSA-N 437.949 5.419 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225014682 OJNIOWVQPQAFJF-FGZHOGPDSA-N 440.653 5.177 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)N[C@H](C)CC)cc1 225163461 ZNXICJZPLVCOIK-RTBURBONSA-N 429.004 5.167 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225306977 DKJTYYCIDWDTOP-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375207 SQTNCTXVLNAHND-RPBOFIJWSA-N 446.620 5.963 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225460375 KQBQPGMNKCPDPS-PGRDOPGGSA-N 447.044 5.544 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225583421 FGNBCOZJCARZNR-XUZZJYLKSA-N 438.612 5.219 0 40 IKAB CCCN(CCC)c1ccc(N)cc1C(=O)Nc1c(F)cc(F)cc1Br 226324658 YGTLUPSACZGTLC-UHFFFAOYSA-N 426.305 5.188 0 40 IKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OC(=O)c1cccc2ccccc12 226364861 SFFVXIZVDJNVPF-ZHACJKMWSA-N 441.277 5.318 0 40 IKAB C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@]2(C)[C@@H]3CC(C)(C)CC[C@@]3(C)CC[C@]12C 247653900 OFMXGFHWLZPCFL-XVIHVAIYSA-N 426.729 8.457 0 40 IKAB biogenic COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Br)c1OC 408553685 BJRFNGDCXGSEMB-UHFFFAOYSA-N 428.282 5.511 0 40 IKAB Clc1cccc(COc2cccc(CNc3ccc(Br)c(Cl)c3)c2)c1 408555411 FXJSQNHXZVXIPA-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680055 YEHTXPFFRRWMON-UHFFFAOYSA-N 448.497 5.834 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3)o2)cc1Cl 409006302 IVSBOZNUABDJTH-UHFFFAOYSA-N 439.924 5.494 0 40 IKAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccccc1F 409018553 WQJCSDKJERZXEJ-VCHYOVAHSA-N 435.904 5.511 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c(C)n1C1CC1 409128403 DUAATARYVJEVIW-ZDLGFXPLSA-N 431.355 5.439 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1CCc1ccccc1 409217555 PZNOQHDDYGGQPU-XQNSMLJCSA-N 449.959 6.198 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c1 409348986 QWKHQSDMSYPIGO-CAOOACKPSA-N 435.332 5.285 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409352530 DEKHUCXCUOCCPU-IEGUWTFLSA-N 438.534 5.899 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(CSCc2ccc(C)cc2)n1C 409358196 DDSPTCQSDGZSJT-UHFFFAOYSA-N 440.638 5.159 0 40 IKAB CCC1CCC(N2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)CC1 643583154 SESIIMHYJHXAMC-UHFFFAOYSA-N 435.608 6.309 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(OCC(C)C)cc2)Cc2ccccc21 643588007 SSRRNEDFAHYCPK-UHFFFAOYSA-N 436.596 5.681 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 702347 KEQRVKWVVMFUJU-MFKMUULPSA-N 432.373 5.499 0 40 IKAB COc1cccc(C(=O)Nc2ccc(Oc3ncnc4sc5c(c34)CCCC5)cc2)c1 707062 RAMMLFCTDIVASP-UHFFFAOYSA-N 431.517 5.623 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1ccccc1Br 723728 JVEJXALZOJBLOJ-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2CCCO2)cc1 928191 BJLGBVPJXQOWKG-HSZRJFAPSA-N 449.620 5.085 0 40 IKAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(C)cc3)c(C(F)(F)F)oc2c1 958111 MKPFXSSLTDZLMX-ZDUSSCGKSA-N 436.382 5.243 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2OCC)c1 1006501 XOZRCWKPSYOEOD-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c(C)c1 1099422 WLTHHZFDAKVKOF-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C)oc2c1 1448162 YQCZZOWEZDNOKR-UHFFFAOYSA-N 446.297 5.497 0 40 IKAB biogenic CC1=C(CC[C@H](C)N(C)Cc2ccc(OCCCN3CCCC3)cc2)C(C)(C)CCC1 1758948 RBXOPQWTFVHNTK-DEOSSOPVSA-N 426.689 6.678 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@@H](C)C3 1789822 DGMIALXAIIGBLP-VXGBXAGGSA-N 448.013 5.597 0 40 IKAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CC[C@H](C(C)(C)C)C2 1916564 DHQCELYZIASGJJ-INIZCTEOSA-N 429.582 5.320 0 40 IKAB CCOc1cccc2c1N(C(=O)COc1ccccc1)C(C)(C)c1ssc(=S)c1-2 2067658 MIQLGOBNVNLMPH-UHFFFAOYSA-N 443.615 6.265 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 2073964 JSUJBXWAGQSSHP-IBGZPJMESA-N 428.561 5.670 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1 2082072 PEJOTLAHBMTACX-UHFFFAOYSA-N 434.564 7.124 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 2084414 DYOCAYGABKHEPS-UHFFFAOYSA-N 448.009 6.703 0 40 IKAB CCCc1ccc(-c2csc(NC(=O)c3cc(C)cc(C)c3)c2C(=O)OC(C)C)cc1 2105450 GGAPZSUAXSLLEG-UHFFFAOYSA-N 435.589 6.802 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3Cl)oc2c1 2137768 KHLGTMBFPXDPEH-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 2214042 SPDLUWJQGMNPFV-UHFFFAOYSA-N 434.996 6.573 0 40 IKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2Cl)cc1 2222488 CZOWHXKGFFZPBB-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB CCCCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2330204 UGILSSPHVVBSFD-UHFFFAOYSA-N 444.644 6.761 0 40 IKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 2633750 WVPUAFYELKOMRP-LBPRGKRZSA-N 438.500 5.288 0 40 IKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)cc1 2667676 QCEZTDPLJSSMSY-UHFFFAOYSA-N 433.301 6.445 0 40 IKAB biogenic CCOc1ccccc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 3177121 OEUTZMFXTNGGJN-UHFFFAOYSA-N 438.247 7.070 0 40 IKAB COc1ccc2nc(N[P@](C)(=O)c3nc4c(ccc5ccccc54)s3)sc2c1 3196184 DQVUEZUQRUOQNZ-AREMUKBSSA-N 425.475 5.713 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 3256510 FWYOFRFRDVJFSE-UHFFFAOYSA-N 449.816 5.293 0 40 IKAB COC(=O)CCc1c(C)c(C(=O)c2c(-c3ccccc3Cl)noc2C)c2ccccn12 3306054 YXZSQWPRMOVYBI-UHFFFAOYSA-N 436.895 5.201 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc(OC)c1OC 3314473 IYXILOSXOHIEGV-LFIBNONCSA-N 446.547 5.911 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc(-c2ccccc2)n1 3469861 WGXWHNVYWZDFFW-UHFFFAOYSA-N 447.416 6.688 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3cccc(F)c3)ncnc21 3658731 MMBDMDJUJQGLOK-UHFFFAOYSA-N 441.531 6.528 0 40 IKAB COc1cccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)c1 4786968 DNZAUNVIOKZOEV-VWLOTQADSA-N 438.531 5.589 0 40 IKAB COc1ccccc1OCCn1c(SCCOc2ccc(C)cc2)nc2ccccc21 8439904 UYZNVJPEAZBFMY-UHFFFAOYSA-N 434.561 5.603 0 40 IKAB COc1ccc(Cl)cc1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 8666555 XERLNCVIGMCAMO-UHFFFAOYSA-N 436.990 5.965 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N2N=C(c3ccc(C)o3)C[C@H]2c2cccs2)cc1 8727861 STWBSMRZWQQMMH-IBGZPJMESA-N 439.562 5.078 0 40 IKAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1OC 8854447 NIJPPEIQFZDWPY-UHFFFAOYSA-N 434.970 5.287 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)c1ccco1)Nc1c(Cl)cc(Cl)cc1Cl 9056955 QFFIJWQYRIXZPE-UHFFFAOYSA-N 427.671 5.114 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)[nH]1 9095854 RBFJJAGGNXGNBI-UHFFFAOYSA-N 426.851 5.183 0 40 IKAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 9112183 ADQXTACWYYOKDE-UHFFFAOYSA-N 426.541 5.698 0 40 IKAB COc1ccccc1CCC(=O)N(c1nc2ccccc2s1)c1cc(C)ccc1OC 9125575 MGTWOZJPMOJQLC-UHFFFAOYSA-N 432.545 5.919 0 40 IKAB CSCCC(=O)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 9170580 DOKMELCZELZQNO-ZDUSSCGKSA-N 431.410 5.382 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3ccsc3)cc2)CC1 9322023 HJWQATHWEZBKQI-UHFFFAOYSA-N 437.634 5.435 0 40 IKAB O=C(CCSc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9376308 BIPSSFNLLUJOGU-UHFFFAOYSA-N 449.605 5.402 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2)cc1 9461551 LGHFUJPWZRKJNJ-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)c1ccc(C(=O)c2ccccc2)cc1 9715960 BIGOJTPKELOHIQ-UHFFFAOYSA-N 443.543 5.960 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)c2C)cc1 9724663 HUHQGWUYDSEMRE-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 9781001 MCDMIBHTTQBFAB-KYOSRNDESA-N 438.837 5.281 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 10059191 HYEPGYHGSIXKRQ-QFIPXVFZSA-N 446.355 5.371 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1 10362758 TZWHXJMKSMPWTN-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(Nc1cc(F)c(F)cc1Cl)NC(c1ccccc1)(c1ccccc1)c1ccccc1 12376000 JTPQJYDRMPSLKI-UHFFFAOYSA-N 448.900 6.732 0 40 IKAB COC(=O)c1cc(NC(=O)C[C@@H]2CCc3ccccc32)c2oc(Cc3ccccc3)nc2c1 12417762 LVMHSBGMGWVISV-IBGZPJMESA-N 440.499 5.264 0 40 IKAB CCOc1ccc(Oc2ccc(NC(=O)CCCOc3ccccc3OCC)cc2)cc1 12529025 WUFHLBBZFJDVAL-UHFFFAOYSA-N 435.520 6.074 0 40 IKAB O=C(NCC(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1cccnc1 12598651 IAVFQBRDEFJBLG-UHFFFAOYSA-N 444.538 5.496 0 40 IKAB CCCCn1nc(C)c(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c1Cl 12821245 CEEQSOWKWXZKEV-UHFFFAOYSA-N 425.920 5.541 0 40 IKAB COc1ccc(CN(Cc2ccco2)C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)cc1 12866310 YEEQIDRCKNGTNY-WEAOWZTESA-N 449.591 5.605 0 40 IKAB biogenic CCn1c(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1C1CC1 12907253 ONVRUVJWPAOMJM-SNVBAGLBSA-N 429.596 5.055 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C 13114626 JIRZDGHRUCKHMO-MRXNPFEDSA-N 441.984 5.826 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4c[nH]c5ccccc45)n12)CCCC3 13499865 RVVGELHKMVVFCV-UHFFFAOYSA-N 447.589 5.237 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 13946052 HYNOLYLBXTWRFF-UHFFFAOYSA-N 436.964 6.721 0 40 IKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCC2 14273353 FBMVQYNXFNZRGW-CSKARUKUSA-N 447.343 5.554 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3F)[C@H]2c2cccs2)cc1 15005139 VNCQDFQTGCTRIF-VGSWGCGISA-N 426.488 5.458 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 15947410 NCRSCDSWXAYGHR-QFIPXVFZSA-N 447.560 5.083 0 40 IKAB CSCc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)oc2ccccc12 15995617 UHMQLIYNPRHTCJ-UHFFFAOYSA-N 432.549 5.533 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(Br)cc2)N3)C1 16192965 PZRBVADPKFNFKU-UGSOOPFHSA-N 433.415 6.481 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 16751098 JTTDVALEICNNSF-QHCPKHFHSA-N 435.520 5.182 0 40 IKAB COc1ccc(/C=C/c2cc(C(F)(F)F)nn2-c2nc(-c3ccccc3)cs2)cc1 16956897 KCQICWFUMCLEFC-JXMROGBWSA-N 427.451 6.194 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@@H](C)CC)cc4)ccc3o2)cc1 19641055 PKMHJIRRDSOHSU-SFHVURJKSA-N 444.531 6.425 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1)CCCC2 19690108 ALKTYUXQCSUIHF-NRFANRHFSA-N 448.542 5.106 0 40 IKAB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)n1 20293622 PAOWGPVCWNLRPB-UHFFFAOYSA-N 442.903 5.710 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 23078900 FVYHQKURYYLGOH-UHFFFAOYSA-N 435.571 5.605 0 40 IKAB CC(C)c1ccc(-c2nc(CSc3nnc(NCc4ccccc4)s3)cs2)cc1 23908232 OIWFPPGQKVQHPQ-UHFFFAOYSA-N 438.647 6.689 0 40 IKAB Cc1c(C(=O)Nc2ccc(NC(=O)NCc3ccco3)cc2)cnn1-c1cccc(Cl)c1 24760200 XDQQNDNZQRAFFK-UHFFFAOYSA-N 449.898 5.001 0 40 IKAB CCCc1nc(CSc2nnc3n(-c4ccccc4C)c(=O)c4ccccc4n23)cs1 25057918 CYWUZDKGGJEXIK-UHFFFAOYSA-N 447.589 5.043 0 40 IKAB O=C(CSc1ncnc2ccsc12)N1CCc2sccc2[C@H]1c1cccs1 29535972 UCKMSXFOLDMVGK-KRWDZBQOSA-N 429.617 5.081 0 40 IKAB Cc1ccc(-c2nn(CN(C)Cc3ccc(C(F)(F)F)cc3)c(=O)c3ccccc23)cc1 31732568 FLMDUTYQHLVEKS-UHFFFAOYSA-N 437.465 5.480 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@@H](C)CC5)o2)cc1 32741637 OFZISRUMFTVDHP-STQMWFEESA-N 437.594 5.610 0 40 IKAB O=C(CNc1ccc(NC(=O)c2ccccc2)cc1C(F)(F)F)Nc1cccc(F)c1 40155661 DFSQEMVFOKHWFV-UHFFFAOYSA-N 431.389 5.147 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)cc(C)c3)CC2=O)cc1 40255650 OOIQUEBGGTUJPT-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4cccs4)ncnc32)cc1 41098013 BHYLAYUWOSJBEK-UHFFFAOYSA-N 430.964 6.457 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 44200768 BSSUGMOVKRXLMS-UHFFFAOYSA-N 448.538 5.621 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)c1 57323124 LSEXZDZHXHMVDI-MHZLTWQESA-N 438.575 5.576 0 40 IKAB Cn1ccnc1-c1cnc(N2CCC(Cc3ccccc3)CC2)nc1-c1ccc(Cl)cc1 57761994 NLEZEHFOHJOKIG-UHFFFAOYSA-N 443.982 5.657 0 40 IKAB COc1ccc(Cn2c(SCc3c(F)cccc3Cl)nc3ccsc3c2=O)cc1 71327631 GIUYVHRFBKBUMP-UHFFFAOYSA-N 446.956 5.600 0 40 IKAB OCCN(Cc1cccnc1)c1nc(-c2ccsc2)nc2scc(-c3ccccc3)c12 72301711 QQNDOTXMERQDBO-UHFFFAOYSA-N 444.585 5.481 0 40 IKAB Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)n1 72375046 HXNDUDMDAYDJAP-OAQYLSRUSA-N 447.558 5.100 0 40 IKAB COC(=O)c1c(C)c(-c2ccc(OC)cc2)c(-c2ccc(OC)cc2)c(C)c1C(=O)OC 91252060 MMEZUIHPQPXTJM-UHFFFAOYSA-N 434.488 5.228 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C[C@H](c2cccc(Cl)c2)C1 102602884 SYBSIRDXDUIKFS-BXKMTCNYSA-N 426.907 6.150 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102643676 QENWBJAXORFUJO-IUVQAAGXSA-N 439.386 6.763 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 222941065 DIGFXEJFFHSDBW-IBGZPJMESA-N 427.932 5.161 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223329741 LBYIEAGLEXNHNK-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223647388 GSVJPMDMMHUBMY-AREMUKBSSA-N 436.640 5.775 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 224560520 JZMBNIZNPLLXMR-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCC3(c4ccccc4)CCOCC3)cc2)cc1 225134575 ZGOVJGHULLTSEL-UHFFFAOYSA-N 431.601 5.766 0 40 IKAB C[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(F)cc1 225473762 FOXCHKCFOGNJHR-KRWDZBQOSA-N 434.580 6.402 0 40 IKAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520410 DAORLQFLBGZIGM-SFTDATJTSA-N 438.587 5.633 0 40 IKAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)n1 225541393 BQGNGROLVBKHKB-SFHVURJKSA-N 443.469 5.088 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766298 JOHLLBUNTKFTOJ-UHFFFAOYSA-N 435.995 7.513 0 40 IKAB Clc1cc(Br)c2[nH]c(-c3ccc(I)cc3)nc2c1 226342982 XFVYJJAUWNQNLX-UHFFFAOYSA-N 433.474 5.250 0 40 IKAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226766226 JDCHFTIFKKNPEJ-UHFFFAOYSA-N 444.712 5.806 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1cccc(Br)c1 228946597 XKOCBFXDDXGJOT-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)o1 257212414 CDHLIPQFAWORRE-QHCPKHFHSA-N 429.520 5.431 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)s1 257296132 RBKKBZRZCSMYPK-MRXNPFEDSA-N 444.988 5.135 0 40 IKAB CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 408572026 DWWKVQDUFSPYDY-UHFFFAOYSA-N 443.827 5.539 0 40 IKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408696749 DZRHHRCSKFSFIU-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccc2sc(C(=O)N3CCCC3)cc2c1)C(c1ccccc1)c1ccccc1 408713450 ZGVQTXCFRQTPNF-UHFFFAOYSA-N 440.568 5.908 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccccc2)N[C@@H]1c1cccc(Br)c1 408985185 ADDCNVXGJWPXIT-LJQANCHMSA-N 445.382 5.220 0 40 IKAB CCc1ccc(NCc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 409122463 ZDNYUSUEUSQHHB-UHFFFAOYSA-N 440.381 6.520 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OCC)c2)C1=O 409231980 MINJOQCGMQGHHW-XNTDXEJSSA-N 428.348 5.081 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2cccc(Br)c2)C1=O 409339122 RZFHHVUBLDEYSN-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB C[C@H]1Oc2ccccc2CCCCC2(CCN(Cc3ccc(Cl)cc3)CC2)CNC1=O 643563816 XYMRATQYWDYAPY-HXUWFJFHSA-N 441.015 5.232 0 40 IKAB COc1ccccc1-c1cccc(CN2C[C@@H](c3cccc(F)c3)[C@@]3(CCCC(=O)N3)C2)c1 1848355672 CTOHIXGQAHKNTA-LBNVMWSVSA-N 444.550 5.140 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 674379 BTCGYLHYQQRGFT-IAGOWNOFSA-N 448.876 5.435 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)cc1 1356107 SXUABWXLEZBTTI-UHFFFAOYSA-N 444.560 5.006 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCCc4ccccc4)c23)C1 1377301 LJEJCLGZJINJQW-OAHLLOKOSA-N 437.634 5.145 0 40 IKAB CCOC(=O)c1cnn(-c2nc(-c3ccc(Cl)cc3Cl)cs2)c1C(F)(F)F 1396021 CJGKWGSMIPHRFG-UHFFFAOYSA-N 436.242 5.498 0 40 IKAB CCN(CC)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 1669484 ZDSGIPWJEGRVHD-ZEQRLZLVSA-N 429.391 6.726 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](CC)C2 2092879 UBDNYUOJYUZASN-LBPRGKRZSA-N 436.371 5.455 0 40 IKAB COc1cccc(-c2nc(C(=O)NC3CCCCC3)cc3c2[nH]c2ccccc23)c1OC 2118622 XWNBJMAARMGMTI-UHFFFAOYSA-N 429.520 5.463 0 40 IKAB biogenic CCC(CC)COC(=O)c1c(N)n(Cc2ccccc2Cl)c2nc3ccccc3nc12 2195238 KKEQTBLOKISXQH-UHFFFAOYSA-N 436.943 5.461 0 40 IKAB COc1ccc([C@@H](Nc2ccc(Cl)c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1 2286154 AGKHSPAWJHWEEK-FQEVSTJZSA-N 446.311 7.156 0 40 IKAB CC[C@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 2413777 YKPYEZOQJABUCN-VXKWHMMOSA-N 427.548 5.645 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(Cl)c(Cl)c1 2424670 SUUHSGLAJIAWCB-FQEVSTJZSA-N 446.330 5.460 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc2ccccc2s1 2619192 GZYCUHXOOJIQSO-IBGZPJMESA-N 435.936 5.450 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3nc(-c4cccs4)cc(C(F)(F)F)c23)cc1 2661495 QWOLHONAWHXJEP-UHFFFAOYSA-N 435.474 7.143 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1ccccc1C(F)(F)F 3263458 BSSNMMWFFVOQOJ-UHFFFAOYSA-N 427.378 5.125 0 40 IKAB Clc1ccc(-c2nc(Sc3ccccc3Cl)c3c4c(sc3n2)CCC4)cc1 3367838 AVQPKPPPOKBYSK-UHFFFAOYSA-N 429.397 7.305 0 40 IKAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1nc2ccccc2s1 3581628 UHNBYWDXHZESAD-UHFFFAOYSA-N 447.560 6.169 0 40 IKAB Cc1cccc(NC(=O)[C@@H]2Cc3ccccc3N(CCCN(C)C)c3ccccc32)c1C 5337818 ZOVPLOJFYGTIOU-XMMPIXPASA-N 427.592 5.672 0 40 IKAB Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)c(C)c1 5451112 PBTYVFDIQCFSQK-MUUNZHRXSA-N 426.560 6.006 0 40 IKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 6924782 JYAOBDDKBZECAF-UHFFFAOYSA-N 448.975 6.362 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c(C)c1 8445958 CLIFIKCGWOUTJP-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB CCc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccc(C)cc4)oc4ccccc34)c2c1 8612003 SREBTOUUFVMBSH-UHFFFAOYSA-N 437.495 6.462 0 40 IKAB CC(=O)[C@@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)c1ccccc1 8745769 YJDKDZNISJCMGH-LJQANCHMSA-N 440.977 5.738 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 8914565 FDYFBSVZQGFWNN-ZZIIXHQDSA-N 429.516 6.365 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(OC(=O)c2ccccc2Br)cc1 9031788 CIPAQZSLGMKRNY-ZHZULCJRSA-N 448.272 5.013 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2CC(C)C)cc1OC 9059911 SWTKACRGJQSLGE-UHFFFAOYSA-N 446.551 5.574 0 40 IKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)CSc1nnc(Cc2ccccc2)o1 9171479 GZDFKACNBLPBDY-UHFFFAOYSA-N 449.576 5.380 0 40 IKAB Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccccc2Cl)c1 9379352 IGYSZUYMNYFHSS-UHFFFAOYSA-N 448.979 5.305 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1 9479346 FDVDNHYMVLYUKU-UHFFFAOYSA-N 432.332 5.976 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 9549273 FLWPIFYAZCGUKA-QGZVFWFLSA-N 444.560 5.180 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 9647025 KDXPYIVILBJONE-JOCHJYFZSA-N 426.545 5.046 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2c(cc1Br)OCCO2 9668230 UOSQVUVOICBHFU-UHFFFAOYSA-N 436.611 5.145 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](Cc1ccccc1)c1ccccc1 9741678 LZKMLLILMDOAMK-RUZDIDTESA-N 442.584 6.298 0 40 IKAB CC1CCN(C(=S)SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 9850437 JNYRBHIFDXSORD-UHFFFAOYSA-N 447.025 5.260 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C[C@@H]1C 10153181 SJJGTAKHHUYIRA-CPJSRVTESA-N 448.588 5.404 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4c(C)cccc4C)cc3C[C@H]2C)cc1 10326583 DFUCSMJYWNGLRQ-LJQANCHMSA-N 434.561 5.004 0 40 IKAB COc1ccc(/C=C\C(=O)Nc2c(C(=O)Nc3ccccc3)oc3ccccc23)cc1OC 11758383 NVHSNTVQDJHMJC-SQFISAMPSA-N 442.471 5.354 0 40 IKAB COc1cc(OC)c(NC(=O)c2nc(-c3c(F)cccc3OC)sc2C)cc1Cl 11865757 ZJIZUNXAPCTDDC-UHFFFAOYSA-N 436.892 5.189 0 40 IKAB Cc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419484 BYVFBMXSNBYNLF-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CN1Cc1ccc(F)cc1 12539694 OKPVQLSYZKLUBB-LJQANCHMSA-N 433.914 5.393 0 40 IKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC[C@@H](c2nc3ccccc3s2)C1 12748944 ZKPFDGFTSOIWBF-DVECYGJZSA-N 447.629 5.443 0 40 IKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12759764 UHRAPHFJYCGAQC-UHFFFAOYSA-N 439.770 5.158 0 40 IKAB COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccc(F)cc4)n3)n2)cc1 12895571 QNCYYARRDTXDRS-UHFFFAOYSA-N 425.510 5.263 0 40 IKAB CC[C@@H](C)c1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 13060652 MVJXMYUZLDUBAX-QGZVFWFLSA-N 441.622 5.852 0 40 IKAB O=C(Nc1nc(-c2ccccn2)cs1)c1oc2ccccc2c1CSC1CCCCC1 13109946 UDBNQALXSMZCSN-UHFFFAOYSA-N 449.601 6.770 0 40 IKAB COc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(CCC3=CCCCC3)c2C)cs1 13131645 LQBYOWXYIKBNGZ-UHFFFAOYSA-N 449.620 6.309 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1cccs1 13150134 CZWLOJCNFGUWMD-CQSZACIVSA-N 447.029 5.745 0 40 IKAB Brc1ccc(-c2nc3ccccc3c(Br)c2Br)cc1 13283282 UQVYCSTUWRRZNQ-UHFFFAOYSA-N 441.948 6.189 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14083825 PNJOLLOUHCBZIV-OAHLLOKOSA-N 437.952 5.933 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCCC2 14273355 SVWWLXSCJBRXLJ-UHFFFAOYSA-N 449.359 5.935 0 40 IKAB Cc1cc(C)nc(Nc2ncc(-c3ccc4ccccc4c3)n2-c2ccc(C)c(Cl)c2)n1 14608325 IBZFKQAYTMKAAJ-UHFFFAOYSA-N 439.950 6.805 0 40 IKAB O=C(c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1)N1CCC[C@H]1c1cccs1 14707362 WGTHSTGDHBDKJZ-IBGZPJMESA-N 446.981 5.180 0 40 IKAB CCOc1ccc(C(=O)COC(=O)c2ccccc2SCc2csc(C)n2)cc1 14846696 RCTRWYUESYRBGX-UHFFFAOYSA-N 427.547 5.182 0 40 IKAB CC(=O)Oc1ccc(Br)c(/C=C/c2ccc3cccc(OC(C)=O)c3n2)c1 15016702 UVFUERQTGPCSIT-VQHVLOKHSA-N 426.266 5.018 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 15906024 JFKHTAOEQKQUED-NSBIUJCASA-N 439.005 6.900 0 40 IKAB c1ccc([C@@H]2N[C@@H](c3ccccc3)[C@@H](c3ccccc3)C23c2ccccc2-c2ccccc23)cc1 16478173 CXHSWOPDKRTKSI-CEUYOYMZSA-N 449.597 7.823 0 40 IKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 16757900 SNEMDLPTIGDSOX-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758093 BGBJCKCJPQQTCS-UHFFFAOYSA-N 437.952 5.705 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 16789037 NSLWGTDLFXMMTE-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 17101679 HULPQFVAQOAGLB-UHFFFAOYSA-N 437.710 6.508 0 40 IKAB O=C(c1ccccn1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 19400252 YDZKKHWYUPUBSH-VDKIKQQVSA-N 449.957 5.004 0 40 IKAB CCOc1ccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)cc1OC 19533746 MISGKERIUTVARS-UHFFFAOYSA-N 449.473 5.337 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2Cl)nnc1-c1ccc(NC(C)=O)cc1 19928678 KDAPPVPLCIMQCP-UHFFFAOYSA-N 449.363 5.205 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1 21149526 KBDPRRZPLSZPEY-UHFFFAOYSA-N 437.455 5.901 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 21630516 RTVIFKUEVUBIDR-UHFFFAOYSA-N 440.377 5.198 0 40 IKAB Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3ccccc3)c2n1 21654971 DFCOQINYTJFZSV-UHFFFAOYSA-N 428.879 5.124 0 40 IKAB CC(C)(C)c1cc([C@H](c2ccc(C(F)(F)F)cc2)N2CCOCC2)cc(C(C)(C)C)c1O 21674774 UGSWVWKLNBPOND-QFIPXVFZSA-N 449.557 6.428 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)Cn3ncc4ccccc4c3=O)n2)c(C(C)C)c1 24755967 DOKORMBZZCXIKX-UHFFFAOYSA-N 446.576 5.406 0 40 IKAB COc1ccc(-n2c(S[C@@H]3CCCCCC3=O)nc3ccccc3c2=O)cc1Cl 28186712 JLTGMBBENJOOKO-HXUWFJFHSA-N 428.941 5.042 0 40 IKAB CCN(CC)Cc1ccc(CNC(=O)c2ccccc2SCc2cscn2)cc1 30800602 GBIVETXOAQELOK-UHFFFAOYSA-N 425.623 5.207 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2ccccc2CSc2nc3ccccc3o2)CC1 32986530 BFLUMJYBIPFADK-UHFFFAOYSA-N 443.572 5.391 0 40 IKAB CCC(CC)[C@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccs1 40157022 QINJBUNPUAYSBH-QHCPKHFHSA-N 441.618 5.629 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 58162070 DCVXXWIFQOMQHG-UHFFFAOYSA-N 442.500 5.697 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2/C=C/C(=O)Nc2ccc(O)cc2)cc1 62715909 PCKDJJANMXFRKD-AWNIVKPZSA-N 438.321 5.694 0 40 IKAB COc1ccc(CN2CCC[C@@H]2c2nc(N)ncc2-c2ccc(C(F)(F)F)cc2)cc1 72354590 KMPZGCHNYVPICN-HXUWFJFHSA-N 428.458 5.090 0 40 IKAB O=C(CN1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)cc1 79060753 RKNVZXZSAZYSCY-UHFFFAOYSA-N 441.962 6.257 0 40 IKAB CCOc1ccc2cc([C@H]3CC(c4cccc(F)c4)=NN3C(=O)CC)c(Cl)nc2c1 95116683 JYCFNSWMMXEBRQ-OAQYLSRUSA-N 425.891 5.514 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)cc1 106970917 ODFZAHHFPSSKMD-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1sc2cc(Cl)ccc2c1Cl 109016188 UDOGHBUPKBNMGY-UHFFFAOYSA-N 449.306 6.354 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 219840494 UMXTVDXMMUZEND-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222860388 DTLIVIOAAQFWMO-SFHVURJKSA-N 447.044 5.214 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 222907648 JWPYIFHPCXPCMY-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 223023494 XMPBNBOBKSXTJR-FQEVSTJZSA-N 440.893 5.173 0 40 IKAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223065166 LRUCEVUKYNZTLF-HHHXNRCGSA-N 442.603 5.176 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 223085842 HUZPIWQIPQHRJL-XMMPIXPASA-N 426.988 5.033 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccccc1SCc1ccccc1 223469864 UMUVGOPYGOFYTC-UHFFFAOYSA-N 437.977 6.403 0 40 IKAB COc1ccc(CN(C(=O)C(C)C)[C@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223553924 CTKNCNPNJKEMPJ-SANMLTNESA-N 448.607 5.428 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223846527 HWMDBKCRODXCKO-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224007740 ITXGTLPGMNLXJI-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224294609 PEMQDHFRHOXXBI-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224415612 OUIHEGYMOIPWNI-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 224554837 VCWZKZPKTAQEPC-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1cccc(Br)c1 225608977 HXNDJACTRNHAGJ-UHFFFAOYSA-N 429.836 5.712 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CC[C@@](O)(CC(C)C)[C@@H](Oc4ccc(F)cc4)C3)oc2c1 257280229 OKAFABVJTXAEGN-JYFHCDHNSA-N 439.527 5.259 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)cc1 408562757 SAUSDGRJUNLQGJ-BZZOAKBMSA-N 428.985 5.901 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1c(C)cccc1C 408594698 JTUXQAAFSAXPFK-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB O=C(COc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O)Nc1ccc(F)cc1 408902783 RHZVLCQTBGXYJH-KGENOOAVSA-N 448.475 5.084 0 40 IKAB CN(C)c1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408975928 DAMXQNIWQCMCCX-UHFFFAOYSA-N 437.507 5.330 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)cc3)c(-c3ccccc3)s2)cc1 409050958 FIRLPNRRRZLQGO-UHFFFAOYSA-N 446.547 7.047 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409101780 RHGHXNFGBRHOLE-UHFFFAOYSA-N 428.989 5.602 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CC1CCCCC1 409142726 AVBPMYMVPMDBAZ-HYARGMPZSA-N 441.980 6.536 0 40 IKAB Cc1nc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)co1 585268740 AUQMUCNSWAOUMA-KRWDZBQOSA-N 436.459 5.048 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@H]1CCCC[C@H]1C(=O)O 627551 QKLUKMGTPWHKOV-UONOGXRCSA-N 435.307 5.075 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 644021 XJYCGQXVCCMWTE-GOSISDBHSA-N 447.604 6.107 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2ccccc2c1 684309 MQPVHORFSUARKG-QHCPKHFHSA-N 428.517 5.248 0 40 IKAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1-c1sc2ccccc2c1Cl 702416 NWEIVRNCEFSZLZ-UHFFFAOYSA-N 434.373 5.979 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc(Cl)c2)c1C 872067 CVIFADXQZXYLOB-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB COc1ccc2cc(CN(C(=S)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 879779 YWJLOVNYHIFZEH-UHFFFAOYSA-N 441.984 5.332 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1c(Cl)cccc1Cl 901753 QAAQRANFGZNTQK-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB CCN(CCO)[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 1593775 OUUMPQIDYVRUGJ-GDLZYMKVSA-N 435.567 6.259 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc(Br)ccc2Br)c(C)c1 2069501 SIULYQLQMMCSGG-UHFFFAOYSA-N 440.179 5.619 0 40 IKAB COc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 2203050 WVGYYDLYWZHKLD-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2F)cc1 2332176 QKBYREZHFLPGHH-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=[P@](Nc1ccc(SC(F)(F)F)cc1)(OCC(F)(F)F)Oc1ccccc1 2333565 KYOGHBDDQHHEKV-AREMUKBSSA-N 431.294 6.476 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2CC3)cc1 2365721 RLYGPIXLJUPEKH-VWLOTQADSA-N 444.962 7.295 0 40 IKAB COc1ccccc1[C@H](c1c(NC(=O)c2ccccc2)sc(C)c1C)N1CCC(C)CC1 2546477 LXOIWOFNGLBLAG-RUZDIDTESA-N 448.632 6.447 0 40 IKAB O=C(OC1c2ccccc2-c2ccccc21)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2651867 CJKMTCVKJXCQBU-UHFFFAOYSA-N 444.490 5.372 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3CCCO3)c3cc(Br)ccc3n2)cc1 2770053 GYQKMXIXNNUOHB-NYHFZMIOSA-N 439.353 5.270 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 3012774 KTFLEGVYMUZVHD-ZWKOTPCHSA-N 434.849 5.758 0 40 IKAB O[C@@H](COC(c1ccccc1)c1ccccc1)CN(Cc1ccccc1)Cc1ccccc1 3205144 IFSRSCJPSYQGHS-GDLZYMKVSA-N 437.583 5.856 0 40 IKAB CC[C@H](C)n1c(SCC(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 3257798 XTSSHKGRCYHRMS-HNNXBMFYSA-N 447.670 5.191 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc12 3259280 LHQJZAFHUIINGC-UHFFFAOYSA-N 425.513 6.440 0 40 IKAB CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 3261126 PYFXQLCHKXBOJJ-UHFFFAOYSA-N 446.576 5.825 0 40 IKAB Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1CCC(C)C 3308673 HABFRAAFWGBBCX-UHFFFAOYSA-N 431.652 6.103 0 40 IKAB Cc1noc(C)c1CSCC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 3328675 XWOQEJGGNFSUMO-UHFFFAOYSA-N 428.366 5.594 0 40 IKAB COc1ccc(N[C@H](c2ccc(Br)cc2)[P@@]2(=O)OCC[C@H](C)O2)cc1 3466268 OWKYCHXIPTVBLP-QXNLKSCPSA-N 426.247 5.587 0 40 IKAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccccc4)=NN3C(=O)c3ccco3)cc2c1 4199637 GUJZBPFQXRHHDK-JOCHJYFZSA-N 445.906 5.871 0 40 IKAB C[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1CN1[C@H](CCO)CO[C@@H]1c1ccccc1 5759394 KZASEJMAAFUHML-GCUOOXHYSA-N 425.572 5.312 0 40 IKAB COc1ccc(C2=NN(c3ccc(Cl)cc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 6924932 ZDEIXRQAVUZUTB-JOCHJYFZSA-N 431.750 7.011 0 40 IKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3cccs3)c12 8451202 VKAZDPFECFPGMH-UHFFFAOYSA-N 436.558 6.706 0 40 IKAB O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl 8733523 QEDQOIMWAJZJCA-SANMLTNESA-N 425.764 5.691 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)N(c4cccc(C)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789115 JHWSJHRBDQEFMX-IADCTJSHSA-N 449.554 5.868 0 40 IKAB biogenic Cc1cc2oc(=O)c(CC(=O)NCc3ccccn3)c(C)c2c2occ(-c3ccccc3)c12 8791618 NFEKBWLWUPKBOF-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 8831992 FHQGTGPUTVBVTD-UHFFFAOYSA-N 444.531 6.207 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8862524 QJSCACXXVMASKN-LLVKDONJSA-N 441.862 5.452 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9161311 ULTSRVJOISZFKB-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)cc1C 9250162 CNZLDIPLFUCYBF-UHFFFAOYSA-N 449.576 5.307 0 40 IKAB CSCC[C@@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 9375331 SHBWGUUOTUGGMU-JOCHJYFZSA-N 433.552 5.448 0 40 IKAB CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc12 9524453 AUPUXIDDMFQQNM-UHFFFAOYSA-N 429.570 6.315 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1C 9591726 ZTOSNVPCCYPFPF-QGZVFWFLSA-N 447.918 6.340 0 40 IKAB Cc1ccc2[nH]c(SCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)nc2c1 10059027 AKTMFAZERPUZAX-UHFFFAOYSA-N 433.377 5.640 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nc(C)cs1)C3=O 11614263 YNAQWYXNOXMTLE-OAQYLSRUSA-N 430.529 5.740 0 40 IKAB Cc1ccc2nc(COc3ccc(C(=O)N[C@H]4CCSc5ccccc54)cc3)cn2c1 11703831 UAQWKBSCKBRATJ-QFIPXVFZSA-N 429.545 5.189 0 40 IKAB COc1ccccc1-c1cc(=O)c2cc(NC(=O)c3cc4cccc(OC)c4o3)ccc2o1 12296774 RRFFOAOFMOAKCS-UHFFFAOYSA-N 441.439 5.476 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 12311482 OGWPBRLXWMQHMA-KMFMINBZSA-N 433.397 5.633 0 40 IKAB CCCc1ccc(OCCn2c(C)c(C(=O)OCC)c3cc(O)c4ccccc4c32)cc1 12411463 UXIGENDQYKDEMD-UHFFFAOYSA-N 431.532 6.017 0 40 IKAB biogenic,in-vitro C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 12932512 YLPUXFKYDDMTCF-LSDHHAIUSA-N 445.382 5.232 0 40 IKAB Brc1ccc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)o1 13013625 OGBMRTNEIANPCE-ZDUSSCGKSA-N 445.342 5.429 0 40 IKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3F)c2c1 13625621 PWODSRLNSJXYGD-UHFFFAOYSA-N 427.431 6.214 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)cc1 14155902 GUAUHFUFZHXDQW-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CC(C)n1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 15008599 FZCGVDDFMCJYIM-JAIQZWGSSA-N 437.496 5.036 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1OC 15106868 SIOXAIQOBKXQQW-GOEBONIOSA-N 429.582 5.399 0 40 IKAB COc1cc(/C=N/NC(=O)c2cc(C)nc3ccccc23)ccc1OCc1ccc(F)cc1 15513557 JXWFTNPMSKUSCH-RWPZCVJISA-N 443.478 5.034 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 15945754 VORJTHCALATLOZ-JEOXALJRSA-N 432.973 6.100 0 40 IKAB CN(CCN(C)C(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 16188548 AYZPCAYVYBUYES-UHFFFAOYSA-N 426.520 5.621 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(C)cc4)c3)nc2c1 16611118 GRTBWZMXGVYIQM-QGZVFWFLSA-N 443.572 6.444 0 40 IKAB COC(=O)c1cccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)c1 17102774 DCLBEPGSPOZGON-UHFFFAOYSA-N 438.861 5.984 0 40 IKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccccc1Br 17312615 METMWUXNQIVPMG-SFHVURJKSA-N 447.380 5.607 0 40 IKAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)cc1Cl 18021892 OYOMPEBOZRALPP-GFCCVEGCSA-N 431.348 5.344 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1ccc2c(c1)OC1(CCCC1)O2 19295584 FKPCPHASYCUHHI-UHFFFAOYSA-N 426.925 5.686 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 19629796 DKPDCCSISVEVBM-UHFFFAOYSA-N 439.519 5.574 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 19689989 LXVHBTKIIWFVKE-HSZRJFAPSA-N 449.986 5.159 0 40 IKAB Cc1c(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cnn1C 19690493 SYDALLCEXOSNAX-UHFFFAOYSA-N 428.502 5.113 0 40 IKAB O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20723715 APLMVDRHUZHTOY-DEOSSOPVSA-N 426.516 5.083 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)CC1=O 20897571 VRSIKUPDKRRARS-SFHVURJKSA-N 425.960 5.193 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1 21042966 LKJCANLRJZZOSH-UHFFFAOYSA-N 449.913 5.420 0 40 IKAB CCOc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccc(C)cc4)c(=O)c3c2)cc1 22498350 FOTBNSPOMLCJPM-UHFFFAOYSA-N 428.492 5.045 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503120 QRNPQZLRTMLVGY-UHFFFAOYSA-N 440.330 6.230 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccccc2)cc1Cl 22603340 OFSVGFPBMIVKMC-UHFFFAOYSA-N 444.922 5.463 0 40 IKAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 24455717 BIUMZULEJIRUPB-CYBMUJFWSA-N 437.754 6.454 0 40 IKAB COc1ccc(-n2c(-c3ccncc3)nn(CN(C)[C@H]3CCc4ccccc43)c2=S)cc1 25453237 JEKTVLWWALSQCT-QHCPKHFHSA-N 443.576 5.051 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2C)cc1 27752854 BAGOVEVCBQCZHJ-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB CCc1ccc(OCC(=O)N(CC)[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27991136 JWTQNYBAZTVIBE-MUUNZHRXSA-N 442.559 5.756 0 40 IKAB CN1c2ccc(C(=O)Nc3ccccc3-c3ccccc3)cc2-c2ccccc2S1(=O)=O 33271862 YXTZGHAWEVCNBQ-UHFFFAOYSA-N 440.524 5.411 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)c1 33715907 CULPUGGAYMCYFN-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 35685008 ASZWAHCWXMICBL-MRXNPFEDSA-N 448.376 5.068 0 40 IKAB CCOc1ccc(-c2csc3c(=O)n(Cc4cccc(Cl)c4)cnc23)cc1OCC 44167073 PPKVMBMZKJKXLP-UHFFFAOYSA-N 440.952 5.624 0 40 IKAB CC(=O)c1ccc(SCC(=O)N(C2CC2)[C@H](C)c2cccc(C(F)(F)F)c2)c(F)c1 58700976 NFAOINCEYJFKSE-CYBMUJFWSA-N 439.474 5.891 0 40 IKAB COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4ccccc4F)n3)CC2)cc1 72349356 FBFQPEVCKZHEIC-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB COc1ccc(-c2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)cc1 72349669 YHNVSGAYVYTHSH-FQEVSTJZSA-N 425.532 5.187 0 40 IKAB Cc1ccc2oc(CN3CCC([C@H](NC(=O)C(C)(C)C)c4nccs4)CC3)c(C)c2c1 72394602 IINWLOKNNJHZFI-QFIPXVFZSA-N 439.625 5.622 0 40 IKAB CC(C)c1nnc(CNC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1 79019800 DGKDWZWOLHFYMT-UHFFFAOYSA-N 437.956 5.098 0 40 IKAB O=C(NC[C@@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1-c1nc2ccccc2s1 84603774 BDAZVGFJAZZOON-LJQANCHMSA-N 443.450 5.236 0 40 IKAB S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCN(Cc2ccccc2)CC1 107932861 AAWLGJQJFBUAKW-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 113559998 CBMBLSYXVBMOEG-OAQYLSRUSA-N 447.585 5.228 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccc(O)cc1)c1nc(-c2ccc(Cl)cc2Cl)c[nH]1 149381620 PXVFQZYRLDPNBB-SFHVURJKSA-N 448.350 5.898 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 223184268 LJXUMLALIBCZCP-IBGZPJMESA-N 429.004 5.169 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223838585 AOODPMUUKIDTIC-LOSJGSFVSA-N 440.572 5.448 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 224239445 VDBZQUDIOMMZAE-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224393933 PCSYKDOUEFFORT-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1c1ccc(Cl)cc1 224471494 WDSFWZPHPSSKKI-XZOQPEGZSA-N 430.964 5.703 0 40 IKAB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1Cl 225120275 GFVJFXXGOSLDJZ-WOJBJXKFSA-N 440.956 5.100 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1C 225150461 XSACYCMKFBGJIY-BJKOFHAPSA-N 447.608 5.298 0 40 IKAB O=C(NCCSC1CCCC1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 225384026 NSCPWSKHPYHEMT-UHFFFAOYSA-N 436.665 5.547 0 40 IKAB CCOc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c2ccccc12 225919374 TYMOPMAVOAMQJQ-UHFFFAOYSA-N 425.912 5.582 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 257198818 JBYMGGHUFOKKPL-BJESRGMDSA-N 433.621 5.154 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)nc(C)n4C)C2)n1 257223188 DWHNEIHFFCMFDK-OAQYLSRUSA-N 442.538 5.411 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)[C@@H]2O 257345110 NKLBOHZLKULONG-WNXAZGOPSA-N 443.469 7.236 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(Cc3cccc4ccccc34)n2CC)cc1 408560230 GANKLUOYUJCVEV-UHFFFAOYSA-N 446.576 5.172 0 40 IKAB COc1cc(C(=S)NCc2ccc3c(c2)OCO3)ccc1OCc1ccccc1Cl 408578605 ZEQOQRYSFKKFRM-UHFFFAOYSA-N 441.936 5.122 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2cccc(I)c2)cc1 408579968 MBUGUUPVMKVOME-UHFFFAOYSA-N 448.329 5.538 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 408596084 OFLHPUIOURMKLJ-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 408661229 BNHTYEOVCUKFTD-QMHWCDLVSA-N 437.536 5.100 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 408695976 XMDCTGXEPRTGKG-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408703622 UTNJLNASTLUGKI-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(OCC)cc1 408832896 SDOAIMWZRJCBMT-UHFFFAOYSA-N 445.382 6.176 0 40 IKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccc(Cl)cc1 408970352 GQBCKHSCNMQVHE-XGICHPGQSA-N 443.138 6.859 0 40 IKAB COc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1 409113280 FHFJFCAGBORHCM-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 409328913 AGQFAFFINFMZGI-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB COc1ccccc1CN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643583063 LPCZBPYYJFSDCR-UHFFFAOYSA-N 445.559 5.549 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 790131 VQVAMLATHJBSOA-UHFFFAOYSA-N 442.544 5.253 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 884556 FRRVSUZSAVXQDU-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2c1 1085074 WRJRQZLQUCSMEP-UHFFFAOYSA-N 428.875 6.969 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 1380008 XIWWRHYQPGVSPK-DEOSSOPVSA-N 431.536 5.047 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2cccc(C(F)(F)F)c2)c1 1400056 GCDVDKHCPMPDDA-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB COc1ccc(CSc2nnc(-c3cc4c(C(F)(F)F)nn(C)c4s3)o2)cc1 1401894 RRQUHJRAIQPIAN-UHFFFAOYSA-N 426.445 5.005 0 40 IKAB CCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@@H](C(C)(C)C)CC4 1856848 MITWQHRUJHYQHN-AWEZNQCLSA-N 432.659 5.466 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 2054467 GKCZEAWOZPUETJ-FNZWTVRRSA-N 444.550 6.529 0 40 IKAB CCCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CCCCC2 2082065 NBZQBJOJHRMPSB-UHFFFAOYSA-N 447.600 6.354 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3cccc(Cl)c3)c3c(C)oc(C)c3c(=O)c2)cc1 2098278 FBVDNHFXLPURRB-UHFFFAOYSA-N 448.902 6.348 0 40 IKAB biogenic c1ccc(-c2nc(-c3cn(-c4ccccc4)nc3-c3cccs3)[nH]c2-c2ccccc2)cc1 2181098 GEPKMMRSROKYPT-UHFFFAOYSA-N 444.563 7.325 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 2231473 HOAJGBCYYNRFQZ-UHFFFAOYSA-N 425.941 5.359 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2C)cc1 2430145 MQLTURCPTZIYBN-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(N3CCC[C@H](C)C3)c2c1C 2623482 BTZSEXKFVCSJSF-HNNXBMFYSA-N 441.622 5.705 0 40 IKAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 2630586 URQUOALWHPZNTF-QGZVFWFLSA-N 446.503 5.160 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2688119 VAOILYDUTWKLMA-OAHLLOKOSA-N 425.665 5.552 0 40 IKAB CC(C)c1ccccc1NS(=O)(=O)c1cc(Br)ccc1Br 3342005 WSQOLHYLIUFVRC-UHFFFAOYSA-N 433.165 5.136 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccc(Cl)cc3)n2)cc1OC 3361699 DXSBPXIJYWIWHI-UHFFFAOYSA-N 448.997 5.992 0 40 IKAB Cc1ccc(CNC(=O)c2ccccc2NC(=S)Nc2ccc(F)c(Cl)c2)cc1 3503965 RPTZRQNDULEVOK-UHFFFAOYSA-N 427.932 5.526 0 40 IKAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 3871493 GVJHHUAWPYXKBD-DKGMKSHISA-N 430.717 8.840 0 40 IKAB in-man Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cc1 5482955 IKVRLICKADIBNH-NDEPHWFRSA-N 426.560 6.006 0 40 IKAB C[C@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 8591738 VBYFYQRIHFTGDV-HNNXBMFYSA-N 427.572 6.089 0 40 IKAB O=C(CSC1=NC2=C(CCCC2)C2(CCCCC2)N1)c1ccc(Br)cc1 8767637 FUPZCHFYXLJHDO-UHFFFAOYSA-N 433.415 5.855 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 8915806 OGGWLDLEDVZKDB-LJQANCHMSA-N 445.950 5.576 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(O)ccc2Br)N3)C1 8919479 FKNKZPSWMNBJEP-VOJFVSQTSA-N 449.414 6.186 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 9314573 RTVZNTBRYKZVNN-JOCHJYFZSA-N 426.463 5.156 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)C1CCN(C(=O)c2cccs2)CC1 9412531 DJBJDXZUUCTGCI-UHFFFAOYSA-N 447.585 5.516 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccco1 9419092 KZDAAUSHMJOFKY-HXUWFJFHSA-N 431.879 5.139 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2Cc2ccco2)cc1 9479973 GSWQOGQDWRTQFK-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3ccccc3C)c2=O)CCCCC4)cc1C 9615450 GQXFKIFTYSTXEL-UHFFFAOYSA-N 444.600 5.456 0 40 IKAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCc1ccccc1)[C@@H]3c1ccc(C(C)C)cc1 9764300 JFOITHKFGZYPRV-AREMUKBSSA-N 437.539 6.013 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccco4)c3c2N)cc1 9910450 LWOOKDDLNRJJOE-UHFFFAOYSA-N 440.524 6.354 0 40 IKAB CSc1ccc2nc(N(CCc3cccs3)C(=O)Cc3ccc(F)cc3)sc2c1 10097895 BOVXQNMOQAUTBL-UHFFFAOYSA-N 442.606 6.037 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 12195839 PHNVJAWZPXECER-UKILVPOCSA-N 434.923 5.990 0 40 IKAB Cc1nn(-c2ccc(NC(=O)CC34CC5CC(CC(C5)C3)C4)cc2)c(=O)c2ccccc12 12444853 LNYLHGSETSQFTM-UHFFFAOYSA-N 427.548 5.239 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 12478430 NERHVWFALWJVGT-RUZDIDTESA-N 448.538 5.560 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(CN2CCC(C)CC2)cs1 12798338 RTZPKPWEFXFISW-UHFFFAOYSA-N 448.951 5.383 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)C2CCCCC2)c(C)c1 13114321 YJJXCNCAMCYHDY-UHFFFAOYSA-N 449.016 5.227 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(COc2ccccc2)cc1 13132151 USKQNWLDOFAVPQ-MHZLTWQESA-N 447.538 5.856 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccccn2)n1Cc1ccccc1 13513385 MBFNTDBSZUXLHW-IBGZPJMESA-N 443.576 5.125 0 40 IKAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1cccc(Cl)c1 13513883 FUNPTPFTUUYJFB-UHFFFAOYSA-N 441.959 5.259 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 13757807 QDBHHIFPYJLHRN-QHAWAJNXSA-N 439.298 5.045 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Br)cc3)n2C)cc1 13871198 YMKBIVDUBXFYFW-AWEZNQCLSA-N 432.387 5.572 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13942451 UPSRTAGRGBASRX-AFMDSPMNSA-N 426.491 5.698 0 40 IKAB CCN(Cc1cccc(F)c1)C(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 14159771 ULIVCKKXMWUGAW-UHFFFAOYSA-N 443.872 5.158 0 40 IKAB O=c1c2ccc(Cl)cc2nc(SCc2ccc(-n3cccn3)cc2)n1Cc1ccco1 14644022 IJJSHWXZEIWFNS-UHFFFAOYSA-N 448.935 5.169 0 40 IKAB CCCc1cc(=O)oc2c(C(=O)[C@H](C)CC)c(O)c(C/C=C(\C)CCC=C(C)C)c(O)c12 14718753 HTVCZGDEKPMUHH-VJSYINPZSA-N 440.580 6.621 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2noc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)n2)cc1 15223674 YKMPITWKZVZSJF-UHFFFAOYSA-N 440.532 5.288 0 40 IKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)cc1OC 15881791 BXGBDZNRDATZLZ-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCc1ccccc1Cl 16610314 ZLVSRANMKOCODF-CQSZACIVSA-N 426.782 5.968 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4cc(C)cc(C)c4)c3)nc2c1 16610693 RTVPTRJLEQHXNM-IBGZPJMESA-N 428.532 6.643 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 16610731 KEOZSIJALRTYNJ-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB CCc1ccc(NC(=O)[C@@H](CC)n2cnc3scc(-c4ccc(C)c(C)c4)c3c2=O)cc1 16895647 NURTWFMRKOKGTO-JOCHJYFZSA-N 445.588 5.894 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3)n2)c(OC)c1 17096938 PNHHRKBYVKBWKZ-UHFFFAOYSA-N 430.504 5.300 0 40 IKAB Cc1ccc(OCCCC(=O)N2CCCC[C@H]2c2n[nH]cc2-c2ccncc2C)c(C)c1 19132808 CFXHGPLFVHJEEG-QHCPKHFHSA-N 432.568 5.310 0 40 IKAB COc1ccc2cc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c(Cl)nc2c1 19333492 QZFXJTVAZLLXQS-UHFFFAOYSA-N 443.978 5.913 0 40 IKAB O=C(O)COc1cc(NC(=O)c2cccc(Cl)c2)ccc1-c1nc2ccccc2s1 20158277 OBRNGJIWKLHAPT-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB COc1cc(CCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)on1 20724704 CDOGCPWZBGXXEC-UHFFFAOYSA-N 432.476 5.151 0 40 IKAB biogenic CC(C)C[C@H]1Oc2ccccc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 22027418 KMNLGDPHNNPIAN-LOYHVIPDSA-N 447.578 7.279 0 40 IKAB CN1CCN(c2cc(Cl)c(Oc3ncc(C(F)(F)F)cc3Cl)c(Cl)c2)C1=O 22996677 JVDPNPNHTRGMRC-UHFFFAOYSA-N 440.636 5.725 0 40 IKAB COc1ccc(-c2nc(CSc3ncnc4sc5c(c34)CCC5)cs2)cc1OC 23638288 LECNDGHEGVAEIT-UHFFFAOYSA-N 441.603 5.613 0 40 IKAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H](Sc1ccccc1)c1ccccc1 25917997 QBAHGYYNRCDKOM-NTKDMRAZSA-N 428.561 5.320 0 40 IKAB Cc1ccccc1C(=O)Nc1cc2c(cc1Sc1ccc(Cl)cc1)n(C)c(=O)n2C 28049055 IOYLLAPACNSVDZ-UHFFFAOYSA-N 437.952 5.242 0 40 IKAB CCOC(=O)c1c(-c2ccc(OCC)cc2)csc1NC(=O)c1cccc(Cl)c1 28284617 MQXVJOIUBOJJIU-UHFFFAOYSA-N 429.925 5.896 0 40 IKAB C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1Cl 28422525 KFPAMNVDHNXTCL-CYBMUJFWSA-N 433.360 5.823 0 40 IKAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccc1SCc1ccsc1 29327773 FDJBBUFVRVRHHJ-UHFFFAOYSA-N 448.569 6.245 0 40 IKAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4cccc(Cl)c4)n3)c2)cc1 33327304 BDYLYMIPSMTCAG-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=C(c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)N1CC[C@@H](c2ccccc2)C1 34744575 RPTFVODIFRLGMY-HXUWFJFHSA-N 435.483 5.780 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccc2cc(O)ccc12 34861937 BXNZWQPODLIPCM-JLHYYAGUSA-N 448.931 5.985 0 40 IKAB COc1ccccc1C(=O)N(Cc1cccnc1)Cc1cc2c(C)cc(C)cc2nc1Cl 35291594 WHWBCSCNVADADQ-UHFFFAOYSA-N 445.950 5.751 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 35311907 BQCSFBWMKYHBGC-SFHVURJKSA-N 429.549 5.065 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 35402972 RCXKVVKQXDYLEN-NTEUORMPSA-N 443.930 6.889 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Br)cc3)n2-c2ccccc2)c1 35847463 AFZMWEQOXLWQMK-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB Cc1cc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)n(-c2ccccc2)n1 36616629 SHKIGFSFUNIVNX-UHFFFAOYSA-N 448.530 5.353 0 40 IKAB CC(=O)Nc1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1F 40050564 WBUJPGSOCVDSPU-UHFFFAOYSA-N 435.480 5.470 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 44855398 NQMQUTISTNBXFG-JOCHJYFZSA-N 444.978 5.418 0 40 IKAB CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)nc1C 51330452 FCHAMQYISDHWJM-BNTDYBCNSA-N 442.588 5.612 0 40 IKAB C[C@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)c(F)c1 59926443 MIXVIDNUADHURX-KRWDZBQOSA-N 428.552 5.444 0 40 IKAB Cc1csc(Sc2ccc(NC(=O)NC[C@@H](c3cccs3)N(C)C)c(C)c2)n1 65495295 FGDCCAJRQSCIBR-KRWDZBQOSA-N 432.640 5.397 0 40 IKAB O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F 67295059 BLCGWXALIZPKBK-DAFNUICNSA-N 438.256 5.214 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CCC1 72215530 VOCITFOIFKWOJF-LJQANCHMSA-N 431.577 5.838 0 40 IKAB COc1ccc2c(CC(=O)Nc3c(C)c(C)nn3-c3ccc(Cl)c(Cl)c3)coc2c1 72287418 COXPNOFVRHHDMZ-UHFFFAOYSA-N 444.318 5.732 0 40 IKAB Nc1c(Cl)cc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)o2)cc1Cl 84421871 IYEUHGKXYIIPAY-UHFFFAOYSA-N 429.716 5.010 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cc(-c3cnc(-c4cccc(F)c4)nc3)cn2C)cc1 96147672 OMDZJDQGSQXVLC-UHFFFAOYSA-N 430.483 5.328 0 40 IKAB C[C@H]1C(=O)[C@@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 100517735 DSEKYWAQQVUQTP-HTLOPDRHSA-N 442.728 7.428 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102716933 UJBZXYAFASJMCL-IVZQSRNASA-N 432.476 5.314 0 40 IKAB Fc1ccc(OCc2nc(CSc3nnc4sc5ccccc5n34)cs2)cc1 105062027 RTJGTQRBABOOOI-UHFFFAOYSA-N 428.539 5.411 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1CCOc1ccccc1 106766492 ZPLMJOVUYHBZOQ-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)OCCO2 222707679 UDTZRKADCUXUDP-SFHVURJKSA-N 435.545 5.120 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222894205 OZPLLYUCIJVSPY-UXHICEINSA-N 432.376 6.031 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1NS(=O)(=O)c1ccccc1 222943178 JWCAXYLBWHKADM-IBGZPJMESA-N 448.588 5.166 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 222975455 XJBVJFVHENSRRF-QGZVFWFLSA-N 445.434 5.962 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109842 WEBQKYHPYCZXSJ-DQEYMECFSA-N 446.620 5.576 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC(C)C 223129602 PYHKMRFLSNDWFQ-QHCPKHFHSA-N 429.004 5.242 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)cc(C)cc2C)c1 223639810 SJGHBGVELZNEIB-UHFFFAOYSA-N 431.941 5.867 0 40 IKAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(Oc3ccccc3)c2)cc1C(C)C 223742022 TYCQUMWJYBNUQG-UHFFFAOYSA-N 425.550 5.432 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223831150 VQMBVLHTYBUMQL-SFHVURJKSA-N 445.028 5.049 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224115378 WYYLZUWODFFHIQ-XMMPIXPASA-N 438.637 5.343 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 224422239 KWOIEFWOVPIVQG-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 224505482 WEEJISHLHGQFAN-IBGZPJMESA-N 437.967 6.069 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccccc1C(C)(C)C 224508983 UGDFONJDPLLCGT-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224549919 FAMUTDBUYVMWQN-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962432 PCUVHTMRIUSSQP-UHFFFAOYSA-N 432.863 5.701 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)ccc1C 225212795 AONIFXGFHFYSOB-RUZDIDTESA-N 438.587 5.241 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H]2CC(C)(C)Oc3ccccc32)cc1 225316382 MZGCXWRTVBFFNZ-PHCAOYFPSA-N 446.572 5.246 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1 225334978 DIYNIFZNSXSCDV-PMACEKPBSA-N 429.998 5.761 0 40 IKAB COc1ccccc1Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)n3ccsc23)cn1 257259204 KXIBULNDYXGXEB-OAQYLSRUSA-N 446.576 5.066 0 40 IKAB Cc1cc(C)n(-c2cccc([C@H]3OCC[C@@]45C[C@@H](C[C@H]34)C(C)(C)[C@@H]5NC(=O)C(C)C)c2)n1 257317644 VKPBKMUIQJULOX-WICZROIOSA-N 435.612 5.144 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@H]3[C@@H](CC[C@]4(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]34)[C@@]2(C)CC1 257348349 DUXQZAKZLLLKRV-KHRRPZBQSA-N 440.712 8.475 0 40 IKAB O=C(O)/C(=C/c1cccc(OCc2ccccc2Cl)c1)Sc1nc2ccccc2[nH]1 408635006 WKRDHMYXCIXFFW-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408923931 IGBQJEFYLGPSDU-OAHLLOKOSA-N 446.981 5.260 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)c1 408926583 UTKYUCCOFYSOIM-SFHVURJKSA-N 440.590 5.224 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409056258 GJIQCDPPBQLBQC-UNOMPAQXSA-N 449.931 5.903 0 40 IKAB CCOc1ccc(-n2c(SCCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409100057 PMEOOUZIOHKVCX-UHFFFAOYSA-N 435.980 6.321 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409154517 KFYJTBJHZCPITD-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 409168596 MSHOIMPNORSNAD-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409247748 AYLKQLWIWJEPIH-MHZLTWQESA-N 444.600 6.145 0 40 IKAB CC(=O)c1cc2c(cc1C)[C@H](C)CC(C)(C)N2C(=O)CSc1nc2ccccc2s1 584906166 BEUFYPKEKHTSGD-OAHLLOKOSA-N 438.618 6.218 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)c1ccc(Cl)cc1 643564451 OORGQONFDBXFRH-NRFANRHFSA-N 442.987 5.142 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)C1CCCCCC1 643583968 GSNNGFZPZOZNSW-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@@H](c2cccc(Cc3ccccc3Cl)n2)C1 1848355619 UAHPZVBUIZFSIB-XMMPIXPASA-N 449.913 5.160 0 40 IKAB COCC(=O)N1CCCCCCCCN(C(=O)c2ccccc2Cl)Cc2ccccc21 2037884975 MYFIHDXCVHSHSH-UHFFFAOYSA-N 442.987 5.316 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 868927 UGMTZYDVFOFDIJ-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3nc(-c4ccccc4)cs3)c(C)cc2c1 933034 HSJQEOVMGOGCGI-UHFFFAOYSA-N 435.574 5.796 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCC(=O)c2cc(C)ccc2C)cc1 991680 ZSCGAYFAZCGCNN-UHFFFAOYSA-N 440.499 5.204 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c(C)c1 1263914 RSCIMLZGTUVRCV-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB Cc1ccc(S(=O)(=O)C(NC(=O)c2ccc(Cl)cc2Cl)=C(Cl)Cl)cc1 1877740 CPQOZJAESUXVPO-UHFFFAOYSA-N 439.147 5.110 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccc(Cl)cc1 1935408 QLJXUYSPTDWGOX-LFYBBSHMSA-N 446.355 6.551 0 40 IKAB c1ccc(-c2cc(-c3cc(-c4ccccc4)n(-c4ccccc4)n3)n(-c3ccccc3)n2)cc1 2055725 NOQNOLIZXNYAAM-UHFFFAOYSA-N 438.534 7.059 0 40 IKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3)c2c1 2073139 FHNMWGPEISPVEH-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 2354320 YXTJWSKQPZNHRO-UHFFFAOYSA-N 449.963 5.783 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1)c1ccccc1 2438654 IHKJTODOTPNYOI-UHFFFAOYSA-N 438.961 6.177 0 40 IKAB Cc1cc(OCc2nc(-c3ccc(NC(=O)c4cccs4)cc3)no2)ccc1Cl 2931009 CFVCUXLSRHBSJY-UHFFFAOYSA-N 425.897 5.591 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccc(C(=O)c3ccccc3)cc2)cc1)c1ccccc1 3021055 PXBITLSQSGVCEZ-UHFFFAOYSA-N 436.463 5.750 0 40 IKAB O=c1c2c(-c3ccc(Cc4ccccc4)cc3)csc2[nH]c(=S)n1-c1ccccc1 3243088 XEPKDFOLAUZJNY-UHFFFAOYSA-N 426.566 6.368 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(Br)o1)Nc1ccccc1Oc1ccccc1 3247107 QCUMJXPFFRZTQZ-ACCUITESSA-N 442.265 5.030 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)c1nnc(-c2ccc(Cl)cc2)o1 3288068 AYRBUHKKNZIKPY-UHFFFAOYSA-N 447.904 5.099 0 40 IKAB O=C(Oc1ccc(OCc2ccccc2)cc1)c1ccccc1OCc1ccc(F)cc1 3304715 IAQRIVACYCRXTO-UHFFFAOYSA-N 428.459 6.203 0 40 IKAB Cc1cccc(-n2nnnc2S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 3368987 JWXLPKRTDUKMLK-HSZRJFAPSA-N 425.517 5.168 0 40 IKAB O=C1OC(c2ccccc2Br)=N/C1=C\c1cccc(OCc2ccccc2)c1 3663220 BNFXXAUOGUMVPK-STZFKDTASA-N 434.289 5.373 0 40 IKAB CCCCNCc1ccc(OCC(=O)N(c2ccccc2)c2ccccc2)c(OCC)c1 8437957 OBTLJBQAMUXZCJ-UHFFFAOYSA-N 432.564 5.719 0 40 IKAB CCc1ccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1 8589311 UFJWJIIBUJUFFA-UHFFFAOYSA-N 446.601 5.869 0 40 IKAB CC(C)Oc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 8717842 NZARBCCNAMTOBO-UHFFFAOYSA-N 428.966 6.718 0 40 IKAB Cc1cc(C)c2c3ccccc3n(CCNC(=O)N(c3ccccc3)c3ccccc3)c2n1 8757948 DAYLGUFJNZJELZ-UHFFFAOYSA-N 434.543 6.354 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1C(=O)N(c1ccccc1)c1ccccc1 8861243 YKUUPGHUGZTDFD-UHFFFAOYSA-N 426.903 6.571 0 40 IKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)n1 9159854 ULWKOTUAEAWQNZ-VWLOTQADSA-N 438.527 5.986 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c1C 9207024 UTICTTITKTZOCX-INIZCTEOSA-N 434.521 5.038 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@H](C)c3cccs3)ccc2c(=O)c1Oc1ccccc1 9429087 HMJMCWBGBMBELD-OAHLLOKOSA-N 435.501 5.211 0 40 IKAB CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9443652 CUESBKSVBJXBBK-HXUWFJFHSA-N 447.457 5.151 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(COC(=O)c2ccc(C(F)(F)F)cc2)cs1 9588332 STSIZQQVNOSTJO-UHFFFAOYSA-N 434.439 5.009 0 40 IKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 9591665 ULWVVYJRDHQZCR-QGZVFWFLSA-N 431.463 5.826 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 9782750 PJISVVTYRMZXAD-HXUWFJFHSA-N 447.491 5.135 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10314612 RVZYWFXTWRNHOX-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 10449656 FMZUTXTZVFVABC-DWXRJYCRSA-N 428.557 5.052 0 40 IKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(C)cc1 12062869 JFDUOHBJNOPROX-FOCLMDBBSA-N 426.453 5.657 0 40 IKAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nnc1-c1ccncc1 12609570 JQNKGAKROSIYEG-INIZCTEOSA-N 449.967 5.410 0 40 IKAB COc1ccc(C[C@@H](NC(=O)c2ccccc2Br)c2ccc(OC)cc2)cc1 12696301 GBJWCTLFBKNKCW-JOCHJYFZSA-N 440.337 5.180 0 40 IKAB COc1ccc(CCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 12760275 VFFQOJCHJJQZLU-HSZRJFAPSA-N 444.579 5.008 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2C[C@H](C)O[C@H](C)C2)c1C 13058741 FMZHLCDGPJECMI-NXMSCROESA-N 434.605 5.816 0 40 IKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13102068 FCHKUBDYZFKMDX-JOCHJYFZSA-N 426.497 5.517 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](Cc3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 13303622 OXLKVVAPTOWHKX-DSBYRVASSA-N 443.978 6.944 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2Cl)c(OCC)cc1NC(=O)c1ccccn1 13502710 PYSGJFCVJAEOCY-UHFFFAOYSA-N 439.899 5.037 0 40 IKAB COc1cc(Cl)cc(Cl)c1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 13512851 NMMVKCAXDYRXFC-AUSIDOKSSA-N 425.315 6.244 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=CC3=C2[C@@H](c2ccccc2)n2ncnc2N3)cc1 15303475 COOSSAZYXWEGIW-RPLLCQBOSA-N 432.527 5.827 0 40 IKAB C[C@H](NC(=O)C1CCC(C(=O)N[C@H](C)c2ccccc2Cl)CC1)c1ccccc1Cl 15766263 UMBUAVTUMBZSKT-OQSMONGASA-N 447.406 5.854 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 15906568 UUENVKHVYBAYBA-COMANROMSA-N 440.518 6.028 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 16610911 UXSWLCZAUJXCEU-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB COc1cccc(CSc2nc3c(sc4ncccc43)c(=O)n2Cc2ccccc2)c1 16844454 CZJXSPCOKHLIGM-UHFFFAOYSA-N 445.569 5.355 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 17096955 USBBEZZHCUOMFD-MRXNPFEDSA-N 430.504 6.278 0 40 IKAB Cc1c(C(=O)N2CC[C@H](c3nc(C4CCC4)n4c(C)csc34)C2)[nH]c2ccc(F)cc12 19240502 LUCRRSDZRZOQLE-INIZCTEOSA-N 436.556 5.530 0 40 IKAB Fc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(F)cc3)c2Br)cc1 19637638 CMXFGXRNYJWYTC-UHFFFAOYSA-N 443.266 6.445 0 40 IKAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 19687428 IUEKCLUDXWQRKE-XMMPIXPASA-N 427.527 5.234 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 20970341 CKWBORNGVKEYCK-XMMPIXPASA-N 442.494 5.502 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)c(C)c2)CC1=O 21524555 IHWIHDVIFWQVRQ-IBGZPJMESA-N 439.987 5.583 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OCc2ccc(F)cc2)c1 22110856 JVZRKXYWQJOVGJ-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccc(Cl)cc4Cl)n3N)co2)c(C)c1 23074609 FGWODNQRXVTSAV-UHFFFAOYSA-N 446.363 5.530 0 40 IKAB CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(C)cc3)no2)cc1 23126826 VQYWDIPJOHUGPN-UHFFFAOYSA-N 439.562 5.161 0 40 IKAB CCCn1c(NC(=O)c2cnn(-c3ccc(Cl)cc3)c2C(F)(F)F)nc2ccccc21 23198326 YYMWVDYZKSIXGO-UHFFFAOYSA-N 447.848 5.557 0 40 IKAB O=C(CCc1ccc2c(c1)OCO2)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 24714227 SXNQHKWQQYHEFA-HXUWFJFHSA-N 446.934 5.431 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCc4cccnc4)nnc23)cc1 27780051 XVHPNUFRSYLZPU-QGZVFWFLSA-N 441.560 5.234 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)o2)c1 30583287 YGTJDBBMXTYSAU-AWEZNQCLSA-N 430.480 5.864 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 30867836 SCVKVBBQXOVAEY-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 32127428 VHKXPAUVASGNAW-UHFFFAOYSA-N 440.377 5.519 0 40 IKAB CCn1c(SCC(=O)N[C@H]2CCSc3ccc(Cl)cc32)nnc1-c1ccccc1 32843057 NXVWZPAUBYGRMS-KRWDZBQOSA-N 445.013 5.064 0 40 IKAB COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 32922963 RYIBQBBEQKGBLE-PLPIMOSISA-N 438.568 5.319 0 40 IKAB Cc1ccc(CN2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)cc1 39766691 UXPDWLBWXHMORI-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB COc1ccc(-c2noc(CCCC(=O)N(c3ccccc3)[C@@H](C)c3ccccc3)n2)cc1 40157896 QWPKXKRVGIQKCN-FQEVSTJZSA-N 441.531 5.862 0 40 IKAB COc1ccc(CCNc2cc(C)nc3c(C)c(-c4cccc(Cl)c4)nn23)cc1OC 40216717 IYHUQQJUIHSGSL-UHFFFAOYSA-N 436.943 5.338 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1Cl 59056792 AKCSAWVUZDDFKD-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC[C@H](SC1=Nc2ccccc2NC(CC(=O)OC)=C1)C(=O)Nc1cc(F)ccc1F 64869612 GQBQGGKLEOGAFN-IBGZPJMESA-N 445.491 5.018 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(OC)c(OC(C)C)c2)C1 72352302 ATWYGXQTWXFZGM-SFHVURJKSA-N 438.593 5.046 0 40 IKAB Clc1cccc(OCCc2cc([C@H]3CCN(Cc4cccc5ncccc45)C3)n[nH]2)c1 72371726 LCBGXAHYVXGGOB-IBGZPJMESA-N 432.955 5.222 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(Cl)cc3)CC(O)=C2[C@H]1c1ccccc1 102879527 GZCBREOSOKFUPB-CCLHPLFOSA-N 442.946 6.910 0 40 IKAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cc(Cl)ccc1C 102907977 QSJUWAQWWNGLSC-KUHUBIRLSA-N 437.721 5.189 0 40 IKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 108947697 DWBMFJSJDNZQHZ-VDGAXYAQSA-N 431.561 5.827 0 40 IKAB CSc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 216456488 ANRHLJBIIAGABQ-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 223528258 OTZURBRWYFQZSN-PKTZIBPZSA-N 445.979 5.093 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(OCCc3ccccc3)c2)cc1C(C)C 223654826 YDYUZVLJQDZIJJ-UHFFFAOYSA-N 425.550 5.241 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224310293 LERGSZLNOMLWTQ-UHFFFAOYSA-N 427.500 5.366 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224384706 OUUYMTWCNVHLBT-IZZNHLLZSA-N 438.600 6.173 0 40 IKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)c(C)c1 224593545 SMQRZUBRXYAZCA-XMMPIXPASA-N 435.589 6.056 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224760718 BHTZDHOSKONNOP-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB COc1cccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225834748 AOJMKHDOGHKCPZ-UHFFFAOYSA-N 432.589 5.710 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2csc(C)c2)CC1 257200063 ABWHBYLJFJNIGF-UHFFFAOYSA-N 446.616 5.325 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccccc4C(=O)O)C[C@@H]3C[C@H]21 257243116 IFOAVRZNDUTLOA-NCDVDMNXSA-N 441.955 5.178 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cc4cccc(F)c4)cn3)ccc21 257285117 PFSRHIWDKBOXAM-AREMUKBSSA-N 429.539 5.171 0 40 IKAB Cc1ccccc1CNC(=S)c1cc(Br)ccc1OCc1ccccc1 408577909 VQDUNHIWDICMOP-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408593552 BFZWQBOVVXAYJW-UHFFFAOYSA-N 446.197 6.006 0 40 IKAB CCn1c(S/C(=C\c2ccc(C)c(OC)c2)C(=O)O)nnc1-c1ccc(Cl)cc1 408634407 QUVJCOKLUIXIPE-PDGQHHTCSA-N 429.929 5.153 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(Cc4ccccc4)C3)cc2)c1 408646056 SXNMLTPSKXVRRE-JOCHJYFZSA-N 442.559 5.898 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 408681013 ITNYGIUTGCVYBV-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB O=C(Sc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1 408691840 TVSINUSAEWAWQB-UHFFFAOYSA-N 440.116 5.194 0 40 IKAB Cc1ccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Br)cc2)cc1 408692824 WGJFDYVPVCOMFD-UHFFFAOYSA-N 439.357 5.068 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 408694944 KQOFGKCXQXGQBB-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(Br)cc1 408714225 LRQLHELONPGJFO-UHFFFAOYSA-N 428.330 5.069 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Cl)ccc1OCc1cccc(Cl)c1 409085465 CZZNBBQAMPWRRD-MTJSOVHGSA-N 428.340 6.658 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Br)cc1 409114899 QZQVIZRSOOVVBN-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1cccc2ccccc12 409166718 FRXHIPXAZVLSOK-UHFFFAOYSA-N 445.544 5.455 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C1=O 409215382 ZZXQGSSZQCHGIQ-BOPFTXTBSA-N 443.874 6.845 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccccc2)cc1 409326389 JZQIYVZFTHPCDR-UHFFFAOYSA-N 436.577 5.172 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c1C 409344703 IAZLXKNALVTCCO-BKUYFWCQSA-N 432.501 5.238 0 40 IKAB Cc1ccc(C(C)(C)C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)cc1 2037845393 BUZTZRMIUUBCPF-UHFFFAOYSA-N 433.982 5.459 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccc5c(c4)OCO5)sc3n2)o1 663831 LZDURGGOVHJTGF-UHFFFAOYSA-N 446.406 5.425 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 892480 STZNZKYDSUWAIY-UHFFFAOYSA-N 430.371 5.441 0 40 IKAB Cc1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(=O)n(-c2ccccc2)n1C 949886 KZXVTAMQWXHJPN-UHFFFAOYSA-N 442.302 5.304 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1nnc2n1CCCCC2)c1ccccc1 1071220 KXURMIGWWSNFBN-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1ccccn1)c1cccc(F)c1 1339005 GPIDYZWXBLKFBF-QFIPXVFZSA-N 437.540 5.119 0 40 IKAB CCN(C(=O)Cc1ccc(OC)c(OC)c1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356409 IYAWOIMKZMERCF-UHFFFAOYSA-N 439.581 5.115 0 40 IKAB Cc1csc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)n1 1381405 DVLPUFJFQJSQGQ-UHFFFAOYSA-N 428.970 5.234 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(=O)C=C(C)C)cc12 1522209 GTYHPEAXQNUVSO-UHFFFAOYSA-N 441.911 5.649 0 40 IKAB CSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(C1CCCCC1)Cc1ccccc1-2 1883602 DTCOUGVHEKAOKS-HHHXNRCGSA-N 430.617 6.075 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc(C)c1-c1ccc(C)c(C)c1 2105474 FYPAZTOQJVSDOW-UHFFFAOYSA-N 437.561 6.168 0 40 IKAB Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1CCc1ccccc1 2291103 VXCULEOIPMIRIL-UHFFFAOYSA-N 439.563 5.030 0 40 IKAB Cc1cccc2cc3c(NC(=O)c4ccccc4Br)nn(CC(C)C)c3nc12 2420567 VCIARHZOOLEGFM-UHFFFAOYSA-N 437.341 5.564 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(CCCOC(C)C)C3=O 2420919 XCSOXBHEYUGDMD-DEOSSOPVSA-N 447.575 5.759 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1C 2447453 SVZBWJQDAYALME-GOSISDBHSA-N 443.595 5.717 0 40 IKAB O=C(COC(=O)CCC(=O)c1cccs1)Nc1ccccc1Sc1ccccc1 3230215 DXQBNHCRVVOXQX-UHFFFAOYSA-N 425.531 5.044 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CN3CCC(Cc4ccccc4)CC3)ccc21 3298040 NOPYXFBQLKGGPY-UHFFFAOYSA-N 425.576 5.708 0 40 IKAB O=C(Nc1ccccc1Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(F)(F)F 3308222 GMQSFKBXRMLSQS-UHFFFAOYSA-N 440.400 5.923 0 40 IKAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc(-c2cccs2)nc2ccccc12 3407023 SQSSEWYEPHOKKI-UHFFFAOYSA-N 437.590 5.765 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(O)C#Cc4ccccc4)[C@@H]3CC[C@@H]2C1 3843810 AXNNSHMUJUSTKY-IREKRRHVSA-N 434.620 5.744 0 40 IKAB COc1ccccc1-c1nc(CSc2nnc(-c3ccccc3F)n2C2CC2)cs1 8898995 VLOPVMISGGBVKB-UHFFFAOYSA-N 438.553 5.844 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 8923113 VTMFBGBZMNRVMB-FQEVSTJZSA-N 427.957 5.857 0 40 IKAB Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1nc(O)cc(-c2ccccc2)n1 9085855 ZQQBWXNFGPEBLJ-QGZVFWFLSA-N 433.577 5.569 0 40 IKAB c1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 9109294 NZBYWUOOQBVPKT-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB CCCCCCSc1nc(-n2nc(C)cc2C)nc2sc3c(c12)CC(C)(C)OC3 9345939 CVFAIVMIARTXLK-UHFFFAOYSA-N 430.643 6.018 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 9425833 XSQNPJUHEDQFGD-AREMUKBSSA-N 447.490 5.167 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 9461059 MCAJYCWBANOJCU-QTJGBDASSA-N 446.934 5.316 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCCc1ccccc1 9518344 JMFLZNSRLHPQBH-UHFFFAOYSA-N 442.515 6.045 0 40 IKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(C)c1 9561431 XXIMBJOFCNWHGA-NRFANRHFSA-N 425.866 6.487 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc(Cl)cc1Cl 9599218 BAHFNYQPEDNRBZ-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)s1 9868232 XODJUHULPDASDC-UHFFFAOYSA-N 447.585 5.278 0 40 IKAB CC(=O)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 9949738 JOHOLNRZSAFDDQ-NRFANRHFSA-N 430.485 5.004 0 40 IKAB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(Cl)c1 10013978 LRKHJYSLVJMGTK-UHFFFAOYSA-N 446.974 7.815 0 40 IKAB CCCCOc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120344 JWIIZOHJRDXUCN-UHFFFAOYSA-N 428.532 6.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(OC(C)C)cc3)cc2C)cc1 10314417 UYQAELMXZLXTBU-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CC(C)CCOc1ccc(C(=O)Oc2ccc(C(=O)OCCOc3ccccc3)cc2)cc1 10715340 IDCZOAMCAMGGPB-UHFFFAOYSA-N 448.515 5.567 0 40 IKAB COc1ccc2c(=O)c(Oc3ccc(C(=O)Nc4ccccc4C(C)=O)cc3)c(C)oc2c1 12322743 VUCVMTMOZCAINV-UHFFFAOYSA-N 443.455 5.357 0 40 IKAB biogenic O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(CN2CCOCC2)cc1 12583599 MNYOMHQUHJXDTL-UHFFFAOYSA-N 429.545 5.048 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1cc(-c2nnc3n2CCCCC3)ccc1Cl 12913281 DSZQNVNOIZWBEA-UHFFFAOYSA-N 449.769 5.813 0 40 IKAB CCCCN(CCCC)C(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 13571787 KDZOYHMMBFLVFW-UHFFFAOYSA-N 441.641 5.516 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 13716987 MMYLVPHAFKNSGJ-UHFFFAOYSA-N 448.588 5.022 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 13999632 KXFKPFXZZDVXCU-HXUWFJFHSA-N 430.548 5.627 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(/C=C/c3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2)cc1 14022955 JMSVTBQNJCMMKG-SDNWHVSQSA-N 441.556 5.595 0 40 IKAB CCOCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 16687993 GVDZRYHYXNADJM-UHFFFAOYSA-N 446.802 6.141 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17096375 IMAXROXTZIPQDD-HNNXBMFYSA-N 429.347 6.885 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1cccc2ccccc12 17102271 NHXROLPNUDZSCQ-UHFFFAOYSA-N 438.512 5.478 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19081848 MPCQDPARAQSAHG-UTKZUKDTSA-N 434.411 5.504 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 19644389 NQQFLROKFCPICD-UHFFFAOYSA-N 446.379 5.239 0 40 IKAB COc1ccc([C@@H]2CCCN2[C@@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 20728786 LQKDNTCCNBXOHV-LADGPHEKSA-N 434.923 5.946 0 40 IKAB COc1ccc(-n2c(-c3ccncc3)nn(CN(C)[C@@H]3CCc4ccccc43)c2=S)cc1 25453233 JEKTVLWWALSQCT-HSZRJFAPSA-N 443.576 5.051 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SC/C=C/c4ccccc4)ncnc3[C@H]2C2=C1CCC2 26464481 PWVPWAURTPDLKF-ZGXDCCKXSA-N 433.646 6.923 0 40 IKAB CC(C)c1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)c2ccccn2)cc1 27988623 XXZWLUZXXNASOG-UHFFFAOYSA-N 432.907 5.812 0 40 IKAB Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)Nc2nc(-c3cccs3)cs2)cc1 32537950 FOZHBAQVSWQOAN-UHFFFAOYSA-N 444.541 5.131 0 40 IKAB CCn1ncc2c(C(=O)Nc3cccc(OCc4ccncc4)c3)cc(-c3ccccc3)nc21 32915683 FDXWNSILMAPBLR-UHFFFAOYSA-N 449.514 5.345 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)/C=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1 33376749 MUXYSOGHDRKONY-FPLPWBNLSA-N 441.396 7.052 0 40 IKAB Cc1cccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccc(Cl)cc2)c1 35331304 HDDWPXFTKABTHB-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2nc(C)cc(C)n12 35615745 MNMNRVCCXKXTGN-UHFFFAOYSA-N 432.524 5.350 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)c(C)c1 36772884 RHDXECWHDDXHTM-UHFFFAOYSA-N 436.027 5.973 0 40 IKAB O=C1CN(Cc2ccccc2)[C@@H](c2ccccc2Cl)c2cc(Br)ccc2N1 49597028 SYRKWSNWDILSAO-QFIPXVFZSA-N 441.756 5.646 0 40 IKAB CC(C)(C)c1nc(CN2CCC([C@@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)no1 69920305 MQBRJQDFKCZOEJ-NRFANRHFSA-N 439.604 5.056 0 40 IKAB CCC[C@@]1(C)CCCN(C(=O)/C=C/c2ccc(OCc3c(C)noc3C)c(OC)c2)C1 72303844 WOIJTCTXPCTJSQ-UKEJNIAMSA-N 426.557 5.321 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC2CCCCC2)CC1 72345127 RHVCWVWIBSQVMX-UHFFFAOYSA-N 446.635 5.530 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359351 UGIMUCGVSXDKKS-UHFFFAOYSA-N 429.417 5.321 0 40 IKAB COc1ccc2cc([C@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 89669230 PXAYKNQUACBMBS-JOCHJYFZSA-N 445.906 5.790 0 40 IKAB COc1ccc(-n2c(SCc3nnc(C)s3)nnc2-c2ccccc2Cl)cc1 95459393 ZDZFEPQTFWPMNG-UHFFFAOYSA-N 429.958 5.049 0 40 IKAB COCc1nc(N2CCO[C@H](c3ccc(F)cc3)C2)c2c(-c3ccccc3)csc2n1 95957734 WUVIDSXXKNQPKJ-FQEVSTJZSA-N 435.524 5.222 0 40 IKAB CCOC(=O)/C(=C/c1ccc(OCCC(C)C)cc1)c1nc2sc(C)c(C)c2c(=O)[nH]1 96759047 UAEQKGRPTWDBQK-CPNJWEJPSA-N 440.565 5.130 0 40 IKAB O=C(Nc1ccccc1)C(=O)[C@@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 102984242 MLJOJVCXWMNGEA-AREMUKBSSA-N 433.507 5.525 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1ccccc1F 106971322 AUURRVNTBSRBMJ-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB CC1CCN(C(=S)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 108991461 DXUWKMNMBUFHOD-UHFFFAOYSA-N 438.600 6.393 0 40 IKAB CC[Si](CC)(CC)c1c(F)c(Br)cc(I)c1F 195981575 UEGDQILRPSWQFL-UHFFFAOYSA-N 433.150 5.047 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223195024 TWZAAXCDCAOSBI-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCOc2ccc3ccccc3c2)c(Br)c1 223614060 HVLISDCZNOWXRB-UHFFFAOYSA-N 442.353 5.300 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C 224113395 HGNMMHDWAXGFQC-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224200139 ZEHDTRFPTBKKHX-RPBOFIJWSA-N 430.621 6.101 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224407456 YFUNIVDUHADXHH-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 224595558 FCNZSBMVJYIBDT-DEOSSOPVSA-N 440.653 5.365 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224970640 GREGCYADOUVUGU-HHHXNRCGSA-N 444.619 5.395 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc2ccccc2c1 225059125 QHMPFNFCKZKWOQ-UHFFFAOYSA-N 445.628 6.523 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccccc3F)cs2)cc1 225251450 HHPYZYZKKIWAJW-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225306739 QLTCNCUMKMHDJF-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225526206 OJJWJGAKEWFSDE-FQEVSTJZSA-N 441.015 6.044 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OCC 225750686 JECRYBLUEDPVOS-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)O[C@H]1CCC[C@@H](C)C1 226358119 DONFBPZWLZLMAR-ZBFHGGJFSA-N 426.896 5.858 0 40 IKAB O=C(CC1(O)CCCCC1)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 257276983 NVZDDZJSLSYSDM-QFIPXVFZSA-N 446.513 5.440 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257313763 UUAJNRIWNNEQMG-NRFANRHFSA-N 437.543 5.310 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1C 408639688 GWOPINJBYOFDPV-LJQANCHMSA-N 448.950 6.049 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1C 408651912 CPTGXTZECWSZFL-NRFANRHFSA-N 427.544 5.588 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408699613 YFDKXEFJBUBUAY-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2cccc(C)c2Cl)c2ccccc2)cc1 408978614 JKPLDLUGARHQAK-NRFANRHFSA-N 442.968 5.005 0 40 IKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C(=O)O2)cc1 409003066 CUNPATWYHRDLFW-UQQQWYQISA-N 445.490 5.928 0 40 IKAB CC(C)c1ccc(N(CC(=O)NCCC2=CCCCC2)S(=O)(=O)c2ccccc2)cc1 409029023 XJTKXDYMJAATCO-UHFFFAOYSA-N 440.609 5.012 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 409095222 ACJOXDRTYRTTNZ-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 409141197 IZUQAOSLDJVDEM-KQWNVCNZSA-N 434.561 5.865 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)cc1Cl 409266168 KALYAVAMJXDJRM-UHFFFAOYSA-N 427.287 5.897 0 40 IKAB Cc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1C 409380528 GCTXOYVHILVKGS-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CSc2nnnn2-c2ccccc2)cc1 625026 JTRWWTVFIPFIED-UHFFFAOYSA-N 435.940 5.169 0 40 IKAB COc1cc(C(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)ccc1OC(F)F 655903 MAOOYYDWNQFLKR-UHFFFAOYSA-N 439.480 5.054 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 668933 MKRIZLUGGARBOR-UHFFFAOYSA-N 441.506 5.012 0 40 IKAB COc1ccc(-c2nc(-c3ccc(Br)cc3)[nH]c2-c2ccc(OC)cc2)cc1 826717 BXVBOGMTNIOMQA-UHFFFAOYSA-N 435.321 6.190 0 40 IKAB CC[C@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 848594 NMZKVSFMRMCHHS-VIFPVBQESA-N 431.245 5.250 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3N2)cc1 867141 UVRJMJHLNDFLMU-MSOLQXFVSA-N 448.876 6.066 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)Nc2ccccc2)cc1 884051 NBESQNTWOFSZTM-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N(C)C3CCCCC3)n2)cc1 890693 QAIZRGKGEAMAAD-UHFFFAOYSA-N 439.503 5.054 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3nc(-c4ccc(F)cc4)cs3)cc12 932822 BUSKVNHSQVQUHA-UHFFFAOYSA-N 448.548 5.935 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)c1ccccc1OC)Cc1ccc(OC)cc1 1322366 QUEOLZCAUOXMJB-RUZDIDTESA-N 447.575 5.673 0 40 IKAB biogenic O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359682 AUJFSTUDHNETES-QFIPXVFZSA-N 427.479 5.563 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c(C)c1 1846607 OVFROBAYIGHFDS-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB CCc1cccc(CC)c1NC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O 1942737 OPFXDTMSKWCHTF-UHFFFAOYSA-N 445.588 5.505 0 40 IKAB CCCSc1nnc2c(n1)O[C@@H](c1ccsc1)Nc1ccc(Br)cc1-2 2087220 BFVLKJKYNXXOQX-HNNXBMFYSA-N 435.372 5.368 0 40 IKAB FC(F)(F)Sc1ccc(Nc2nc(Cl)c(C(F)(F)F)c(Cl)c2Cl)cc1 2191505 JRPQNONVZVEZKI-UHFFFAOYSA-N 441.611 7.416 0 40 IKAB Cc1ccc(C(C)C)cc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2302227 ODBRXFAOPLKRGL-UHFFFAOYSA-N 432.951 6.228 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 2421926 NLLRERCLVYWIBR-MRXNPFEDSA-N 444.299 5.010 0 40 IKAB CCc1ccc2c(CSc3nnc(-c4ccccc4)n3Cc3ccco3)cc(=O)oc2c1 2645210 NPTYNHZUBOKZHR-UHFFFAOYSA-N 443.528 5.548 0 40 IKAB Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=C1\N=C(c2cccc3ccccc23)OC1=O 3207150 XHUVTKCDYKAYHG-BWAHOGKJSA-N 448.526 5.279 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)F)cc2)sc2c1CCCC2 3251996 VLEYFVJVNVFHTL-UHFFFAOYSA-N 426.510 5.214 0 40 IKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)c(OC)c1 3371061 YGGPJYGSMLRJPU-UHFFFAOYSA-N 447.560 5.027 0 40 IKAB COc1ccc(CN(CC[C@H](c2ccc3c(c2)OCO3)c2ccccc2OC)C(C)=O)cc1 5220487 WBPFARVYPLNFMT-HSZRJFAPSA-N 447.531 5.003 0 40 IKAB biogenic COc1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1Br 5941124 ROJNEJVNCPRFPQ-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 6924991 WCRYHSNIGWWFMM-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 8821675 SDEPGASCZHBTJM-STZFKDTASA-N 445.968 6.154 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)cc1Br 8862147 PSBWCNWJINWDJI-UHFFFAOYSA-N 449.399 5.143 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1SC[C@H]1CCCO1 8897974 CNXZKENEHZZRKV-HXUWFJFHSA-N 448.592 5.195 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3cc4ccccc4oc3=O)ccc2C)cc1 9064783 JWBVKMVWODETBS-UHFFFAOYSA-N 442.540 5.458 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 9066239 GSWNPNRRJILESS-SFHVURJKSA-N 434.348 5.732 0 40 IKAB CCCCCN(CCCCC)c1nc(CC(=O)c2ccccc2)nc(Nc2ccccc2)n1 9113252 VPFWZAUSXSCUTH-UHFFFAOYSA-N 445.611 6.227 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 9299691 ZLNSWBZIVLEYQP-LBPRGKRZSA-N 434.841 6.177 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N[C@@H](Cc1ccccc1)c1ccccc1 9349360 QTXVWELSEQXJSL-NRFANRHFSA-N 433.508 5.068 0 40 IKAB O=C1c2ccccc2[C@H](Nc2ccc(OCc3ccccc3)cc2)N1CCc1ccccc1 9434821 MZDNPENZHRYPOZ-MUUNZHRXSA-N 434.539 6.075 0 40 IKAB CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 9435344 HYOJTPLWOVFZPH-RTWAWAEBSA-N 442.485 5.378 0 40 IKAB COc1ccc2nc(SCc3csc(N(C(C)=O)c4ccc(C)c(C)c4)n3)[nH]c2c1 9463168 VQMWHUDKUAAQRI-UHFFFAOYSA-N 438.578 5.622 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)c1 9669317 UZKPGEKGWBRZHI-NDEPHWFRSA-N 448.522 6.490 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 9892142 JSMYCEQOFHJBPV-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB Cc1ccc(-c2nc(-c3cccnc3)sc2CC(=O)Nc2nc3c(s2)CCCC3)cc1 9914556 JHRDTQHIKUYPFD-UHFFFAOYSA-N 446.601 5.697 0 40 IKAB COc1ccc([C@@H]2CCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c(OC)c1 9952631 BHTYNVTVRVYTCM-FQEVSTJZSA-N 446.507 5.054 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@H]1c1nc2ccccc2s1 10372619 KOTFSJJJKAICIN-IBGZPJMESA-N 432.549 5.018 0 40 IKAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)sc2c1 12140793 COQRJLIURHBTRW-UHFFFAOYSA-N 444.409 5.272 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 12195580 SASODPZEMGMLTA-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cc(C)ccc3C)oc12 12437472 IXAJPAUSWAADKC-QPLCGJKRSA-N 433.529 5.432 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnn(-c2ccccc2)c1C(F)(F)F 12520401 MPEBOSIRRGDIPR-UHFFFAOYSA-N 447.420 5.687 0 40 IKAB c1ccc(-n2c(CN3CCCCC3)nnc2SCc2csc(-c3ccco3)n2)cc1 12527750 UPDKNQXZHBIGRX-UHFFFAOYSA-N 437.594 5.262 0 40 IKAB COc1ccc(CCNC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1OC 12635726 CRAQZMVDMQJTMZ-RJAVSUSUSA-N 447.619 5.518 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1C 13514361 VCFLPNOJZJGLNZ-KRWDZBQOSA-N 448.589 5.029 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 14426545 AFMSXUDUWBFGSA-UHFFFAOYSA-N 434.989 5.082 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)cc1 15947809 IUNOCORREBYTMT-LRTDBIEQSA-N 436.533 5.739 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1nc(Cl)ccc1Cl)CC2 16002346 MIROARLMPSCCBE-QFIPXVFZSA-N 443.330 5.194 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 16695435 ZUMLFESYQNGLQC-HJPURHCSSA-N 433.577 5.439 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 17113644 UMPJLMUJBXFXLG-UHFFFAOYSA-N 436.968 5.904 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 17156418 FTHJRIOKQCOHPL-UHFFFAOYSA-N 432.954 5.356 0 40 IKAB O=C(C1CCCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373088 VWJVOZBQVIAJOF-OAQYLSRUSA-N 427.552 5.178 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 19633219 HKGCTMCCZJTWFM-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB FC(F)(F)Oc1ccc(Nc2ccnc(Nc3ccc(OC(F)(F)F)cc3)n2)cc1 19910254 KZPZMNHPHDYEGH-UHFFFAOYSA-N 430.308 5.761 0 40 IKAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3cc(C)ccc3C)C2)cc1OC 19974137 CHEABJVMBQBPOT-UHFFFAOYSA-N 429.564 5.047 0 40 IKAB CCc1ccccc1NC(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20213689 UGZQWTZRXPDNHH-OAQYLSRUSA-N 432.911 5.864 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 21579111 XAPDPMKANDJLEK-UHFFFAOYSA-N 432.476 5.553 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(c3ccccc3)C(C)C)nc3ccccc3c2=O)c1 22079415 PNYJIWCKCXKXEB-UHFFFAOYSA-N 443.572 5.228 0 40 IKAB O=C(NC1CC1)c1cccc(NC(=O)c2cc3sc(Nc4ccccc4)nc3s2)c1 22229580 OBJGSCXFZWGQPY-UHFFFAOYSA-N 434.546 5.246 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 25038164 HPTSNICHLTWGRU-QHCPKHFHSA-N 428.517 5.036 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 30860253 GFIJZZDKXUKCGG-NLFFAJNJSA-N 430.548 5.591 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116428 QPZIIOPIDGWCQV-JTQLQIEISA-N 443.135 5.347 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32127418 WSXRXCIMDIMPID-UHFFFAOYSA-N 440.377 5.519 0 40 IKAB Cc1cc2nnc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2c2ccccc12 33710435 LCXQQCBKQWJKKC-AREMUKBSSA-N 448.551 6.389 0 40 IKAB FC(F)(F)c1cccc(NC(=S)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1 33736650 HTSQOTRABQZKFA-XWDORNJCSA-N 435.559 5.297 0 40 IKAB O=C(c1ccc2ccccc2n1)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C12CCCCC2 36719586 MQXBJQJRMDKEKU-BJKOFHAPSA-N 425.576 5.142 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38848665 QRQURINVVFGOJW-UHFFFAOYSA-N 446.205 5.829 0 40 IKAB CC[C@H](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)CC1=C[C@@H]3OC)C(C)C 39108084 LJJLFLNKMQSUFO-XNXDZERNSA-N 444.744 7.650 0 40 IKAB endogenous,in-man Cn1c(COc2ccccc2Cl)nn(CN(C2CC2)[C@H]2CCc3ccccc32)c1=S 40155477 IBYOHLIBKLQKDG-FQEVSTJZSA-N 441.000 5.293 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc(C)c1Cl 40913291 SSXURFAKOGDECF-MRXNPFEDSA-N 442.342 6.247 0 40 IKAB Clc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 45925315 DXHGWGJLUWWCKJ-UHFFFAOYSA-N 430.758 6.105 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)n2C)c1 50011945 USARBWAKWLWPDB-UHFFFAOYSA-N 426.630 5.377 0 40 IKAB CCO[C@H]1CC(=O)O[C@H](CC[C@@H]2[C@H]3C(=C[C@H](C)C[C@@H]3OC(=O)C(C)(C)CC)C=C[C@@H]2C)C1 67665403 YVEQEBOMQFZSIT-IVIOQTJTSA-N 446.628 5.630 0 40 IKAB in-vitro O=C(/C=C/c1ccc(Br)s1)NCCCCc1nc(-c2cccnc2)cs1 72272007 JCORDVFQNQCVPV-VQHVLOKHSA-N 448.411 5.181 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(Cc5ccccc5F)n4)C3)ccc2[nH]1 72356462 BAJPXEPIFLFQAT-HXUWFJFHSA-N 428.511 5.016 0 40 IKAB Cc1cccc(-c2ccc(C(=O)N[C@H](Cc3ccc(Cl)cc3)c3ccccn3)c(=O)[nH]2)c1 95453604 ORSMIXRLVCSSFA-XMMPIXPASA-N 443.934 5.113 0 40 IKAB c1ccc(C23CC4(c5ccccc5)CC(c5ccccc5)(C2)CC(c2ccccc2)(C3)C4)cc1 96332206 YDUVZTACEKAXTE-UHFFFAOYSA-N 440.630 8.120 0 40 IKAB in-vitro CC1(C)[C@@]2(C(=O)Nc3ccccc3C(F)(F)F)CC[C@@]1(C)c1nc3ccccc3nc12 100769343 KOVQRPKIMYZUMM-GOTSBHOMSA-N 425.454 5.616 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC(F)F 106688571 NIHZEWDGSPRZRP-YVLHZVERSA-N 439.867 5.577 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1cccc2ccccc12 138727653 GDMIEVSLCCBIRG-UHFFFAOYSA-N 432.479 5.851 0 40 IKAB CC(C)Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 197702240 BUPGVRWYINEHPZ-UHFFFAOYSA-N 439.606 5.675 0 40 IKAB COc1ccc(Cl)cc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215738702 HAVVZHHCWHVMDU-SFQUDFHCSA-N 442.302 5.058 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223403323 ZLYXRTXIJLTNBR-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223814292 IUMCCKUGHBNXMR-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 223955109 IYEKRUHCQRYRPT-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1Cl 224477983 IOAMVQLSLCLXNN-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 224515072 NIIPLTNKSFSBLI-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(OC)cc1 224605227 RMJCCMHHTDRWFE-QGZVFWFLSA-N 439.939 5.817 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225182898 GPYJTWZCIGUVGE-VWLOTQADSA-N 436.640 5.559 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225207155 QLMKPXKZAKULIB-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB COc1cc(CNC(=S)Nc2ccc(Br)c(Cl)c2)ccc1OC(C)C 225531422 JTGHXQQOKGNHDX-UHFFFAOYSA-N 443.794 5.385 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225585466 ARYVANJEIRAXEL-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225587311 YOIRRBIDYUBRIY-XMSQKQJNSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 225606150 UXIBHRRLJVNZBN-KNQAVFIVSA-N 445.003 5.058 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225695613 RJQWRVKEIRCFRX-JTSKRJEESA-N 449.422 5.566 0 40 IKAB Cc1ccc(C(=O)c2c3c(c4ccccn24)-c2nc4ccccc4n2C2(CCCC2)N3)cc1 257173728 VSYUTHAZPLIYMK-UHFFFAOYSA-N 432.527 6.148 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccccn2)CC1 257244512 ILRCIZOSLLHLBQ-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB Cc1cc(Nc2nc(C)cs2)cc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257328796 XHDSWLPHIWDSBW-OAQYLSRUSA-N 448.548 5.167 0 40 IKAB CCCCc1nnc(SCC(=O)Nc2nc(-c3ccc(C)c(C)c3)c(C)s2)n1CC 408561042 WLSZBKHENDCLOM-UHFFFAOYSA-N 443.642 5.420 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)cc1 408595290 LXJPNTORLLCKAN-UHFFFAOYSA-N 446.576 5.402 0 40 IKAB Cc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1C 408835716 XVFRANIIDAAKHA-UHFFFAOYSA-N 442.628 7.249 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408863007 KFQOELCNRWQUJE-UHFFFAOYSA-N 433.983 5.219 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c12)CCCCCC3 408989374 KMFAAFWXRFPNEB-UHFFFAOYSA-N 445.371 7.290 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409086545 FEEFSGHDGFWUEV-JFTOOJIJSA-N 445.562 6.035 0 40 IKAB Clc1cccc(COc2ccc(CNc3ccccc3Cl)cc2Br)c1 409178125 ITMVYTQJUKWOSP-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 409247648 FDFPTFBIEYUFGT-HZHRSRAPSA-N 442.515 5.066 0 40 IKAB O=C(C1CCCCC1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443106 OSEHEXRPWSLEIQ-UHFFFAOYSA-N 429.351 6.898 0 40 IKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2cccc(Cl)c2)n1 575443684 YSTRLJSEHRNIAE-UHFFFAOYSA-N 448.910 5.729 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4ccccc4)cc3NC(=O)C(F)(F)F)n2)cc1 1404447 GHIWUAFKXJNFIH-UHFFFAOYSA-N 444.438 5.172 0 40 IKAB Cc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(Cl)c1 1875226 BKKWYLSLZRCCOC-UHFFFAOYSA-N 425.315 5.758 0 40 IKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)COc3ccc(Cl)cc3)c3ccccc32)cc1 2059719 MNZVYGPWPOINTN-HHHXNRCGSA-N 433.979 6.549 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(Cl)cc1Cl 2126362 RMKSKUJDSOWDQO-UHFFFAOYSA-N 428.772 5.374 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2234856 NHDYCZOJNDQFQZ-LJQANCHMSA-N 440.421 6.114 0 40 IKAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 2271194 IIFVCSAPIZLHNL-UHFFFAOYSA-N 429.604 5.233 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3[C@H](N(C(=O)C(C)C)c3ccccc3)C[C@@H]2C)c1 2290221 URKSXFTZAQULDY-RXFWQSSRSA-N 442.559 5.865 0 40 IKAB O=C1C(Nc2cccc(Cl)c2)=C[C@H](c2cccc3ccccc23)N1c1cccc(Cl)c1 2344247 VUEGLIHZCMZNLA-RUZDIDTESA-N 445.349 7.231 0 40 IKAB O=C(Cc1ccccc1)N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3010909 JBZLHNBYJHJAKD-OAHLLOKOSA-N 426.558 5.461 0 40 IKAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1ccc(Cl)cc1 3133182 LWQCMEHUGAEZGM-UHFFFAOYSA-N 443.808 6.889 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(Cl)c1Cl 3234461 QNXFTSZQWZQSAE-UHFFFAOYSA-N 428.271 5.413 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCSc3ccc(C)cc3)cc2)cc1 3236142 HUTRVPWPAVYGTG-UHFFFAOYSA-N 434.561 5.767 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)cc1 3241629 YWJWTVDHQNONIC-UHFFFAOYSA-N 448.526 5.260 0 40 IKAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 3287857 XYSIJABQKVSAFP-KRWDZBQOSA-N 428.646 5.611 0 40 IKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)c(C)c2c1 3655595 FVRXQLOLEWZSBX-UHFFFAOYSA-N 427.431 6.418 0 40 IKAB CC(C)c1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 4283505 WSPFRKHSRNHUCM-UHFFFAOYSA-N 427.136 5.353 0 40 IKAB CCN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1 4700443 IZEBWUONDPBWSO-UHFFFAOYSA-N 428.576 5.740 0 40 IKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 6110708 VSMRZPLERYOSES-KRWDZBQOSA-N 432.549 5.688 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 8751240 WXRRCJCCFHBSIF-CVEARBPZSA-N 439.556 5.009 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8755685 QYCCYYNGYKYMCA-QGZVFWFLSA-N 449.913 5.406 0 40 IKAB CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)N3CCCC[C@@H]3c3cccnc3)cs2)n1 8777824 JTZHZRBRUBPURB-QGZVFWFLSA-N 449.502 5.233 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2C(=O)Nc2ccc(C)cc2)cc1 8836322 QRGTXEATJXLGKV-UHFFFAOYSA-N 444.512 5.083 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)nc1 8965432 CHOLVZJHQSFUDN-UHFFFAOYSA-N 434.468 5.582 0 40 IKAB COc1ccc(-c2cc(NC(=O)COCc3nc4ccccc4s3)ccc2OC)cc1 8966340 USZMQNKFXQKXJD-UHFFFAOYSA-N 434.517 5.136 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C)cc1OC 9130710 IETAFOOZSSIREL-UHFFFAOYSA-N 434.467 5.493 0 40 IKAB Cc1ccc2c(c1)c1nnc(SCCN3CCCCC3)nc1n2CCc1ccccc1 9309276 AKDLWWSDKYVMAG-UHFFFAOYSA-N 431.609 5.109 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC[C@H]3CCCO3)s2)cs1 9337462 AFRXKIBLCPTXRC-OAHLLOKOSA-N 430.620 5.381 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9478579 YMHJAGKPYKSYQY-AWEZNQCLSA-N 449.605 5.012 0 40 IKAB Cc1ccc(/C=C(/C(=O)N2CCCC2)c2nc(=O)c3c(-c4ccccc4)csc3[nH]2)s1 9544837 LWPNVVWGSZUYJT-QGOAFFKASA-N 447.585 5.185 0 40 IKAB Cc1cc(C)cc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c1 9601483 MSALXXUOCVYTMS-UHFFFAOYSA-N 430.617 5.648 0 40 IKAB COc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(F)cc23)cc1OC 9676048 RRZLDQSXDQIVHW-UHFFFAOYSA-N 427.479 6.014 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 9730990 OGDHDCPQWKVRNW-HSZRJFAPSA-N 444.560 5.365 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 10153224 YDGYFEGBBYOEDX-NLFFAJNJSA-N 448.588 5.467 0 40 IKAB Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1NS(=O)(=O)c1ccccc1 10335737 UIIRXEPVANZOHJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1 11196695 AIHXENAZDIYQEE-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(Nc1ccc(N2CCn3c(nc4cccc(Cl)c43)C2)cc1)c1ccc(Cl)cc1 12375024 QJCBRNHABJLBRM-UHFFFAOYSA-N 437.330 5.616 0 40 IKAB C[C@H](C(=O)N1CCC[C@H](c2nnc3ccccn23)C1)c1ccc(-c2ccccc2)c(F)c1 12390386 ZINZFFJYSLIRTO-RXVVDRJESA-N 428.511 5.045 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 12478407 QIYPAYYTGDZAIK-RUZDIDTESA-N 430.548 5.421 0 40 IKAB Cc1nc(COc2ccccc2C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cs1 12774132 RRYYWGODZUNCDL-GOSISDBHSA-N 430.982 5.651 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3cc(C)n(-c4nccs4)c3C)c2n1 13027129 VJFQCXUWPLUUPQ-UHFFFAOYSA-N 446.359 5.976 0 40 IKAB COc1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C 13074296 ZKRLCYCEACAOQZ-HNNXBMFYSA-N 444.984 5.765 0 40 IKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1C 13114627 JIRZDGHRUCKHMO-INIZCTEOSA-N 441.984 5.826 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCc1ccc2c(c1)OCO2 13114663 VMRBOYWOHRFWHU-UHFFFAOYSA-N 444.512 5.146 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3nc4ccccc4s3)s1)CC2 13134009 IJUQSCCWLCRMOW-UHFFFAOYSA-N 436.558 5.241 0 40 IKAB O=C(Cc1ccc2c(c1)OCCO2)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 13164019 RLOBPEAJSFGCTN-FQEVSTJZSA-N 446.934 5.083 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 13893344 CZDBTPOJTLCTRK-CLOONOSVSA-N 434.561 5.077 0 40 IKAB Cc1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2nc(-c3ccccc3)cs2)c1 13895433 ACEXSKXPKNSIGB-RFBIWTDZSA-N 437.524 6.349 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14013618 RSPBMUOSLOTIDH-AREMUKBSSA-N 428.576 5.086 0 40 IKAB COc1cccc(N(C(=O)C2CCC2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 14118745 QCWOSFOBHXLNBK-UHFFFAOYSA-N 433.360 6.590 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1cccc(OCc2ccccc2)c1 14270354 ICUGKPHSDMQXDD-UHFFFAOYSA-N 447.343 5.405 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3s2)ccc1Cl)c1cccc2c(Cl)cccc12 14271997 SATGNBBLZRNPNW-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 14272847 WLQRNPKHHBKELP-UHFFFAOYSA-N 441.318 5.523 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)nc2cc1Cl 16284297 GXJWSQBIPWOILF-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(F)c2)cc1C 17249689 CTUASWLYRVSTLV-UHFFFAOYSA-N 436.512 5.239 0 40 IKAB Fc1ccc(-c2cnc(NCc3ccccn3)nc2-c2cnn(Cc3ccccc3)c2)cc1 19372906 RADBFSCLSVLEHL-UHFFFAOYSA-N 436.494 5.202 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19690900 MIPLEYLVPCWEHG-SANMLTNESA-N 427.523 5.507 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Oc2ccccc2)cc1 20450678 TYATYVYYPLIFPW-UHFFFAOYSA-N 427.831 5.952 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(OC)c2)cc1 20970126 IRXZUKGGKYUNLF-VWLOTQADSA-N 438.531 5.535 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4cc(C)cc(C)c4)o3)cs2)cc1OC 22237781 UTMSIIWFZYWYHU-UHFFFAOYSA-N 439.562 5.786 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)c(Cl)c1 22276991 CCZYSAOLQOJNBA-NSHDSACASA-N 425.262 5.737 0 40 IKAB CC(=O)NCc1ccc(-c2nc(NC(=O)c3cc4c(F)cccc4s3)sc2C)s1 23151153 VQSPZBHSDJNXQD-UHFFFAOYSA-N 445.566 5.422 0 40 IKAB CCn1c2ccccc2c2nnc(SCc3csc(-c4ccc(OC)cc4)n3)nc21 23870562 SGPSAZJRAYEVEB-UHFFFAOYSA-N 433.562 5.424 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(O)c2)c2ccccc2)c1C 26770790 MXJPAMOZJXFMSA-DEOSSOPVSA-N 428.557 6.524 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O 27789103 WEHRHWUYQFFKLH-MJGOQNOKSA-N 445.950 5.828 0 40 IKAB CCc1ccccc1Nc1nnc(SCc2ccc(Br)cc2)n(CC)c1=O 28537093 IKUJMJJRYZYPKZ-UHFFFAOYSA-N 445.386 5.019 0 40 IKAB COc1cc2c(cc1OC)C(=O)[C@H](Sc1nnc(-c3ccccc3)n1C1CCCCC1)C2 32101320 YGIXLGAFUMJIGE-JOCHJYFZSA-N 449.576 5.367 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 32114513 CXEFGMPQXAURAY-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCCc1ccc([C@@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 32768918 UTIFTKLWLQWRDO-QHCPKHFHSA-N 425.960 5.789 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 33664031 DUELRFFZGKJXCY-UHFFFAOYSA-N 436.515 6.112 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2Cl)cc1 33710945 JVAFFSIOPYEOTE-NRFANRHFSA-N 440.952 5.687 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 34896502 NORJLKQFPRGHIQ-IIBYNOLFSA-N 431.985 5.484 0 40 IKAB CCc1cc(C(=O)N[C@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621667 QSMJNANLBAWFSC-MRXNPFEDSA-N 428.511 5.490 0 40 IKAB Cc1ccc(Cn2c(SCc3ccccc3F)nc3c(sc4ncccc43)c2=O)cc1 45924303 XFJBAIRGNZNUEN-UHFFFAOYSA-N 447.560 5.794 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccsc2c1=O 57426438 QRBZQTSQEAFEFK-UHFFFAOYSA-N 441.500 5.008 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1ccc(Cl)cc1 58886083 BFTQCGDNFUCCFI-UHFFFAOYSA-N 445.371 6.438 0 40 IKAB CCOC(=O)C1=C(C)N2C(=NC3=C(CCC/C3=C/c3ccccc3)[C@@H]2c2ccccc2)S1 67172428 UFSZFJVOVRAILX-DEZPSGRBSA-N 442.584 6.462 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(C)c2C)cc1 71328061 VPDYQOCAGYVHSH-UHFFFAOYSA-N 437.609 5.792 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 72354166 PZEPIRSACFJIAE-OAQYLSRUSA-N 434.971 5.061 0 40 IKAB COc1cccc(COc2cccc(Cl)c2CNCCc2nnc(-c3ccccc3)o2)c1 78990040 LJVOUMBCEYMCFR-UHFFFAOYSA-N 449.938 5.310 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2cccc(C(F)(F)F)c2F)S1 96117385 CSJRAQYAWXVCMF-ZBEGNZNMSA-N 443.466 5.351 0 40 IKAB O=C(CCSc1ncnc2c1[C@@H]1CCCC[C@H]1S2)Nc1cccc(C(F)(F)F)c1 96305871 CARSRCWHZXMFIO-HUUCEWRRSA-N 439.528 5.748 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccccc1 100894266 KLPLEHBDKPPHRS-NRFANRHFSA-N 427.895 5.240 0 40 IKAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)CCC[C@H]1C 102207409 SOJJWOFKQNSRPW-WWMYMODYSA-N 429.944 5.017 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 108059942 MFRVUNFWYCCWAR-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 222409723 KJVLQPPXGCSHMF-QHCPKHFHSA-N 438.612 5.003 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 222687247 IDABDGFSWHAMKH-UHFFFAOYSA-N 432.372 7.297 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 222886643 KSSFFKGUKNRSFL-PMACEKPBSA-N 441.398 5.017 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 223072371 WOPDGMJGVCCCNI-OALUTQOASA-N 429.004 5.167 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223282822 UKNJLWACDDPUQE-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223824136 FDSIYIRGXOPEDI-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224055106 ODYZGZDJFYWYHR-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(Cl)cc1 224158568 MJPJTGGHRLCPTO-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 224358397 PDQVCDOPMUBEQL-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccc(C(C)(C)C)cc1 224523944 AOQZBWCZTPFNHS-UHFFFAOYSA-N 446.547 5.313 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)ccc1F 224889099 FNJANNISBLKZDW-ROUUACIJSA-N 448.386 5.530 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225696519 OXGLPCKCUCDZQI-UHFFFAOYSA-N 446.676 5.993 0 40 IKAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257266779 MEMYPKRQELHTMR-IBGZPJMESA-N 426.948 5.307 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)c1 257295583 QYZXNQPCIWALGP-FQEVSTJZSA-N 429.520 5.084 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408659802 PMJWNCIKQQAKQK-SKGAXEKPSA-N 434.322 5.093 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(Cl)ccc2C)c1 408697158 FKEMBCSUUXTKNQ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@@H]5[C@@H](C4=O)[C@H]4C=C[C@H]5C4)cc3s2)c1 408751480 ZXWCTUAPOODGHL-LRGYGIHKSA-N 432.570 5.209 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2sc3c(c12)CCCCC3 408991191 PMLBJCYQZXJAGS-UHFFFAOYSA-N 431.344 6.900 0 40 IKAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1)S(C)(=O)=O 409183733 UJZCTJHTOIASNN-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1Cl 409198093 WWBOIBTYLKQZPZ-FYJGNVAPSA-N 448.906 5.021 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2cc(OC)ccc2OC)nc1-c1ccccc1 409198214 ZZKFEUUSUBDTIO-UHFFFAOYSA-N 438.549 5.381 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\S(=O)(=O)c3ccccc3)n2C)cc1C 409204333 FRKXEQJCDNDYFT-IZHYLOQSSA-N 434.586 5.327 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409230047 AYPWPYOZFGSDAE-BXUJETTOSA-N 444.940 5.192 0 40 IKAB CCC[C@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 409255967 MWMAGHAOVCQVHC-FQEVSTJZSA-N 436.577 5.001 0 40 IKAB O=C(c1cccs1)N1CC[C@@H]2[C@H](C1)[C@@H](c1ccc(F)cc1F)CN2Cc1ccccc1 2037834464 HAXPXGXZTLGZPV-MQSCRBSSSA-N 438.543 5.157 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1)Nc1ccccc1 624773 DQNKNIZPVSJCRL-UHFFFAOYSA-N 437.521 5.419 0 40 IKAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 673828 BDRJBIBMMOPNCV-AAEUAGOBSA-N 432.899 5.130 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc(C)c(C)c3c2=O)c1 686594 BKAFZRYGXOCVMF-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnc(-c3cccs3)nc2-c2ccccc2Cl)cc1 721455 WFYBUUNUKIAMSY-UHFFFAOYSA-N 430.924 5.477 0 40 IKAB CSc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 866521 ZSMHPDNWGIDING-BBRMVZONSA-N 438.500 5.579 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)OCC(=O)N1c2ccccc2Sc2ccccc21 969104 LCJFHBTYMRKCLC-UHFFFAOYSA-N 447.541 5.028 0 40 IKAB CC1=CC(C)(C)N(C(=O)CSc2nnc3sc4ccccc4n23)c2ccc(C)cc21 986285 FWXYROXZXKNSPC-UHFFFAOYSA-N 434.590 5.573 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccc(F)c(F)c4)n3)cc2C[C@H]1C 1366706 MDQKEDAYPVGPAH-GFCCVEGCSA-N 427.476 5.028 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 1442214 YSFBEDVZXTXQEY-FMIVXFBMSA-N 432.501 5.130 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 2079588 ACGUVHXXXTYAQG-QGZVFWFLSA-N 429.903 6.292 0 40 IKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 2270658 IMXMXLISOJEASL-JTQLQIEISA-N 448.297 6.542 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCC(C)C)n(-c4ccc(OC)cc4)c(=O)c23)CO1 2295550 VULPXZGTVYSELM-HSZRJFAPSA-N 444.622 5.445 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccco1)Nc1cccc2ccccc12 2427766 LWPFTGAHELIMCU-UHFFFAOYSA-N 430.489 5.063 0 40 IKAB CCOc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCC2)cc1 2546385 MGXBJVWFWFDPMC-XMMPIXPASA-N 434.605 6.201 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 2595389 QZKKDHNPIQYDHN-DHZHZOJOSA-N 439.298 6.462 0 40 IKAB Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 2688846 XYTGJFHVIVCVSY-UHFFFAOYSA-N 429.426 5.301 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1Nc1ccc(SC(F)F)cc1 3164386 FMEJCELLUHFVDA-UHFFFAOYSA-N 428.460 5.768 0 40 IKAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1cc(Cl)c(Cl)cc1Cl 3239011 ZTBXHMYALOIPFX-UHFFFAOYSA-N 427.498 5.749 0 40 IKAB CCCCN1C(=O)c2ccc(C(=O)Nc3cc4oc5ccccc5c4cc3OC)cc2C1=O 3294157 FJASUQBUAFYYCQ-UHFFFAOYSA-N 442.471 5.243 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccc(OCCC(C)C)c(OC)c1 6543946 KBXFKYFYDDVZBV-UHFFFAOYSA-N 427.541 5.040 0 40 IKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 8497302 DPTIMYNFFUCOND-BALBBAFXSA-N 427.991 6.753 0 40 IKAB O=[S@@](Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8781516 GZXCRHJFLPJMTC-SSEXGKCCSA-N 433.964 5.717 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3cccc(Cl)c3)sc2c1 8903301 IIEQEJSEGJRFMY-UHFFFAOYSA-N 447.969 5.033 0 40 IKAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2c(C)[nH]c3ccccc23)cc1 8922831 OZVHPABLVUZCED-JOCHJYFZSA-N 445.613 6.316 0 40 IKAB COc1ccc2nc(NC(=O)c3ccc(-c4cc5ccccc5oc4=O)cc3)sc2c1 8969580 NJMQLJAKUBZAGA-UHFFFAOYSA-N 428.469 5.331 0 40 IKAB Cc1[nH]nc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccc(Br)cc1 9129204 DWFSZOFUGGSCDV-UHFFFAOYSA-N 435.321 6.099 0 40 IKAB CN(C)CCCN(C(=O)c1nc2ccccc2s1)c1nc2c(Cl)cccc2s1 9151920 KVANYPYHULDZSG-UHFFFAOYSA-N 430.986 5.158 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 9307234 PDJWMCGNNZZAIY-INIZCTEOSA-N 433.531 5.240 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 9307963 PZNFHMAPLPKCEG-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccc(C)cc2)cc1 9309377 NKSXLYXMYPZGMC-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCc3cc(C)on3)cc2)c1 9607976 NULVEXZLJJECIM-UHFFFAOYSA-N 430.529 6.628 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)c2c[nH]c3ccccc23)nc2ccccc2c1=O 9633055 IDEXNYXVVBOJMY-UHFFFAOYSA-N 425.513 5.150 0 40 IKAB COc1cccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)c1 11866195 PJIUQIFTGLWCHT-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@@H]21 12196103 DTFVQLHCRPOFPV-WIOPSUGQSA-N 446.478 5.253 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1N/C=C1\N=C(c2ccccc2)OC1=O 12562055 PWIBVUKVQVYKEX-UYRXBGFRSA-N 432.501 5.157 0 40 IKAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1nnc(-c2cccs2)o1 12573533 ISDMZGTXKYBWGO-SNVBAGLBSA-N 433.356 5.804 0 40 IKAB Cc1nnc(SCC(=O)Nc2cccc(Oc3ccccc3)c2)n1Cc1ccccc1 12634064 DYUFKXCDNQLSIH-UHFFFAOYSA-N 430.533 5.158 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1csc(-c2ccc(C)cc2)n1 12756033 JGDOQKUSXPLRRQ-UHFFFAOYSA-N 427.957 5.181 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2 12897220 NYICAORCBXAPCB-LLVKDONJSA-N 447.438 5.109 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3ccccc3)c3ccccc3n2)o1 13014195 WJHAEVVESFZXJE-HNNXBMFYSA-N 444.491 6.110 0 40 IKAB O=S(=O)(NC[C@H](Sc1c(Cl)cccc1Cl)c1ccccc1)c1ccccc1 13150426 MIPVCGFNLAYTOB-IBGZPJMESA-N 438.401 5.805 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(OCc4cscn4)cc3)ccc2OC)cc1 13164474 POXIPLHVYJFZIK-UHFFFAOYSA-N 446.528 5.659 0 40 IKAB O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1sc2cc(Cl)ccc2c1Cl 13371967 YNEJWBBNXILNKF-UHFFFAOYSA-N 432.759 7.781 0 40 IKAB COc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498388 YOVSSURQEFCQPQ-VWLOTQADSA-N 448.588 5.133 0 40 IKAB O=C1c2ccccc2[C@@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccc2c(c1)OCO2 13894605 WAZUNAAXYFEUQU-NRFANRHFSA-N 426.394 5.201 0 40 IKAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 13936075 TUUIYFXLOHQKJC-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 14230507 YJVSWPFMALCOQQ-UHFFFAOYSA-N 439.515 5.282 0 40 IKAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccccc1 15911194 NHYXSAHSLYOURV-UHFFFAOYSA-N 446.576 5.780 0 40 IKAB CCc1ccc(NC(=O)NC[C@H]2CCC[C@@H](CNC(=O)Nc3ccc(CC)cc3)C2)cc1 16161778 LXDWSADKYAPPFI-SZPZYZBQSA-N 436.600 5.561 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1Cl 16195819 OESUMBLECMGHDL-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 16348410 ZVAFTZVEINALDK-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2nc1-c1ccccc1 16576357 NRYQQHUDNIYIOS-LJQANCHMSA-N 427.573 5.526 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 16788720 QBNHXSMNYVCGRE-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1c1nc(Nc2cccc(Cl)c2)nc(Nc2cccc(Cl)c2)n1 19637805 SBVFXUVZTQWDRG-HUUCEWRRSA-N 443.382 6.433 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)nc2c1 19638883 ODIQAYZSIGTKMM-KRWDZBQOSA-N 443.572 6.064 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)/C=C/c2ccco2)cc1 19639820 NUCWEPIJUZNTJA-VAWYXSNFSA-N 444.314 6.010 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143624 QRZICHLIYOJWBP-UHFFFAOYSA-N 449.846 5.073 0 40 IKAB CC[C@@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc2c1 20411935 FRDOVDLKLQQWCJ-NSPYISDASA-N 436.291 5.171 0 40 IKAB biogenic COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 20451018 SZUSTHQRWKNIOS-MSOLQXFVSA-N 434.561 5.306 0 40 IKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nn12 20609757 CAJRXXUMGUCQBJ-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2cccc(Cl)c2)C4)cc1 20796330 RFNLLDUGJMUMPB-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB Cc1ccc2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)oc2c1 28291765 STHFMKCTWJMSRM-QHCPKHFHSA-N 434.580 5.150 0 40 IKAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1cnn3-c1ccc(C(F)(F)F)cc1)C(=O)N2 32105563 MGSROIBHBGPMDK-JOCHJYFZSA-N 440.425 5.244 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2ccccc2Cl)cc1Cl 32609992 ILFUTFCLPMYRLW-UHFFFAOYSA-N 425.703 5.544 0 40 IKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCN2CCSC2=O)c1 32784598 YLDWSWWJPPWDPU-UHFFFAOYSA-N 440.443 5.004 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 35386645 BVODWHXIDYGNMP-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB C[C@H](OC(=O)c1ccccc1SC[C@H]1CCCO1)c1nc2ccccc2n1C(F)F 39983228 QEJGMEQMOGEMML-LSDHHAIUSA-N 432.492 5.621 0 40 IKAB COc1ccc2oc(C)c(C(=O)Nc3c(C(=O)c4ccc(C)cc4)oc4ccccc34)c2c1 46086535 DUVYPFNYYAUZHF-UHFFFAOYSA-N 439.467 6.288 0 40 IKAB Ic1ccc(C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 59160112 MNRJJUUCFIMBJZ-UHFFFAOYSA-N 446.331 6.674 0 40 IKAB O=C(CSc1nccn1-c1cccc(C(=O)Nc2ccccc2)c1)c1ccc(F)cc1 67206679 OCLFSYHGEYAVOU-UHFFFAOYSA-N 431.492 5.239 0 40 IKAB Cc1c(Cl)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293039 MIWACRGODGODCU-ZLXSMEDCSA-N 431.319 5.189 0 40 IKAB Brc1cccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)c1 71889954 XEJJUHHQYWUNNL-UHFFFAOYSA-N 449.348 5.673 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)n1 72353412 MOCGEPYIPSBEFV-HXUWFJFHSA-N 449.986 5.224 0 40 IKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)ccc1OCc1ccccc1 89429253 HPJWNDQOTNRNGH-HKWRFOASSA-N 445.540 6.289 0 40 IKAB c1ccc(-c2nc(CN3CCN(c4ncnc5sc6c(c45)CCCC6)CC3)cs2)cc1 96438002 FXRVEHCHLQMXDG-UHFFFAOYSA-N 447.633 5.016 0 40 IKAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3ccc(Cl)cc3c2=O)cc1OC 101192186 LRDHGWKTZDGJAN-UHFFFAOYSA-N 441.892 5.444 0 40 IKAB O=C(O)CCc1ccc(-c2ccc(Cl)cc2)n1CCOC12CC3CC(CC(C3)C1)C2 107787579 DGFCQNDRSSDNCQ-UHFFFAOYSA-N 427.972 5.811 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c(C)c1 113965064 GWDKZHZGONVQSP-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)s2)cc1 222888734 BOHMVJOORBPCLY-UHFFFAOYSA-N 440.377 5.392 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223135827 ADGOSTBAXRLLII-NRFANRHFSA-N 447.044 5.544 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223968997 CJRWIXROZDVVFO-ZEQRLZLVSA-N 445.592 5.134 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Oc4ccccc4)nc3)CCOCC2)cc1 224028657 CDMUCHIYIXUEMK-UHFFFAOYSA-N 437.540 5.048 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 224070232 RAEBTJXRIFZUEJ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224092763 GHWGHKOTIDHFJV-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224202651 JMDXZPMJMUENSF-UHFFFAOYSA-N 439.939 5.217 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224351466 ZCSVWCWJSXQVDA-LJQANCHMSA-N 441.786 5.133 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1Cc1ccco1 224425570 HDQKZLJSSVFVDO-RPWUZVMVSA-N 446.551 5.457 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1Cl 224484633 DKLGJGWRGTWAHC-INIZCTEOSA-N 427.903 5.948 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224731415 KXGGYRZPFVAWBX-SFHVURJKSA-N 444.978 5.196 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224832167 IMNDYSOXBBVRNG-DNQXCXABSA-N 448.592 5.029 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 225734727 ZHKJTLQCJBDYLO-JJWXFRNXSA-N 446.616 5.700 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)/C(=C\c3cccc(Br)c3)C[C@H]12 253497507 NKLBOHZLKULONG-URYBJMOISA-N 443.469 7.236 0 40 IKAB biogenic CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)s1 257239661 HQHFNMMTOYPCAN-INIZCTEOSA-N 439.560 5.099 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccnc3ccccc23)CC1)C1(Cc2ccccc2)CCOCC1 257307433 SYPNXOWRDJFOPA-HSZRJFAPSA-N 442.603 5.446 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@@H]21 408541640 COGSWSAWRYPUAH-FUHWJXTLSA-N 430.392 5.543 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 408667680 JISYWDKNOJZAPB-UHFFFAOYSA-N 444.918 5.913 0 40 IKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724217 ICUFBBINALXMEE-UHFFFAOYSA-N 435.571 6.577 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C1=O 408919372 WZQOOGNSKUDFHM-NFJKTXFASA-N 434.322 5.396 0 40 IKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409216044 DLLHRWAFAMIVAZ-OVCLIPMQSA-N 428.724 6.286 0 40 IKAB COCc1cc(C)nc2sc(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)c(N)c12 409381005 QSACFFRSGCCJPC-UHFFFAOYSA-N 430.744 5.546 0 40 IKAB Clc1ccc2c(c1)nc(-c1ccccc1)n2-c1ccc(I)cc1 575414745 BGMQYAYNLPGFDR-UHFFFAOYSA-N 430.676 5.951 0 40 IKAB CC(C)=CCC[C@]1(C)CC[C@]2(C)[C@H]3CC[C@]4(C)C(C)=C([O])CC[C@H]4[C@]3(C)CC[C@@]2(C)C1 1560406140 ATDBSJAZBQWVPL-UHQJUJKSSA-N 425.721 9.267 0 40 IKAB O=C(N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1)C1(c2ccccc2)CCOCC1 2037845899 MTZKBRFWBPAARS-OAQYLSRUSA-N 444.550 5.342 0 40 IKAB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C 906813 PMRJBYSTLBXLJL-MRXNPFEDSA-N 444.004 5.300 0 40 IKAB CCCc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1ccc(Cl)cc1 930634 RDQCCWNFCRQTQC-UHFFFAOYSA-N 446.938 5.695 0 40 IKAB COc1cccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(CCc3ccccc3)C2=O)c1 958654 OLMYQXPUXFZCFG-UHFFFAOYSA-N 444.556 5.031 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CC[C@H](C)C2 1102454 UTERMYOHYAIFSG-LBPRGKRZSA-N 441.471 5.086 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 1327674 DSZLQSRVIFOQMM-UHFFFAOYSA-N 445.494 5.300 0 40 IKAB Cc1ccc(-n2ncnc2-c2cc(OCC(F)(F)F)ccc2OCC(F)(F)F)cc1 1387190 YZWPOXVSHIMPTE-UHFFFAOYSA-N 431.336 5.125 0 40 IKAB Cc1nc2ccccc2nc1CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 1426995 WFUZATAGYHCFGJ-UHFFFAOYSA-N 428.492 5.069 0 40 IKAB Cc1ccc(C(=O)C[C@@H](Sc2ccccc2N)c2c(Cl)cccc2Cl)c(C)c1 1720680 DWIRTUNHDARDTC-JOCHJYFZSA-N 430.400 7.299 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4ccccc4C(C)C)coc3c2)cc1 1915144 ZHGFXCJYYYRRQE-UHFFFAOYSA-N 444.483 6.074 0 40 IKAB CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2367079 QGGZIEOKSYEZIT-FNZWTVRRSA-N 440.318 5.172 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2577638 BCKABNWUEAOEJT-UHFFFAOYSA-N 448.750 6.593 0 40 IKAB Fc1cccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)c1 2651353 GDHZGSGQKWNQED-UHFFFAOYSA-N 429.904 5.583 0 40 IKAB CCOC(=O)c1c(NC(=O)c2c(-c3ccccc3)noc2C)sc2c1CCCCCC2 2745547 QNGQSTZZBLGEMC-UHFFFAOYSA-N 438.549 5.800 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)CSc1ccccc1 2767360 QWTWAMNCTRICQP-UHFFFAOYSA-N 439.602 6.446 0 40 IKAB CC[C@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)c1ccccc1 2769092 HIEDSKVTAQLEQY-QFIPXVFZSA-N 426.516 5.800 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)NC(c1ccccc1)c1ccccc1 3270299 HPALSWKERHJNBQ-UHFFFAOYSA-N 436.580 6.585 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccccc1Cl)NCCC1=CCCCC1 3276369 QZNMRWDTJQKHSM-UHFFFAOYSA-N 427.928 5.083 0 40 IKAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1c(F)cccc1Cl 3292408 NYGILQKFZRJXBD-CYBMUJFWSA-N 439.915 5.288 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccc(OC)cc1 4043180 JSHXXHUKOLMTHC-IXCJQBJRSA-N 437.624 5.905 0 40 IKAB biogenic Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2CN2CCCC2)c2ccccc2)c1 8394244 NEWULROANHWVLA-MHZLTWQESA-N 427.592 5.369 0 40 IKAB CCOC(=O)c1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 8450735 NRTJQOFWXCZPGT-ATJXCDBQSA-N 426.563 5.555 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O 8587087 ZBVPUPNQSOHMAU-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 8685781 FEHZRVBODOWSKA-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB aggregator CCc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 8755284 CKMOXXFASMWQLF-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccncc2)s1 8997387 UETCPJUTMOAIOM-FXAWDEMLSA-N 426.339 5.456 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1 9120239 WAASEGQZHCSHHM-UHFFFAOYSA-N 447.535 5.636 0 40 IKAB CSc1nc(NCC(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 9282608 UHLPCFKACYJTNW-UHFFFAOYSA-N 430.643 6.004 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 9308923 SHUDUJXXKSLQQP-UHFFFAOYSA-N 445.544 5.317 0 40 IKAB Cc1cc(C)cc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)c1 9391915 MORMOVBPQNWPNA-UHFFFAOYSA-N 449.019 6.634 0 40 IKAB CCc1cccc2sc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)nc12 9401603 DKXDPGGFBNSIHV-UHFFFAOYSA-N 437.568 6.183 0 40 IKAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1)Nc1ccccc1Cl 9663233 DZIJAGYCXBWSQU-UHFFFAOYSA-N 428.271 5.020 0 40 IKAB CCC(=O)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 9948702 ZUMVUEPIXOBNSW-UHFFFAOYSA-N 435.531 5.859 0 40 IKAB O=S(=O)(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc2ccccc2c1 10112683 CCOMTXYMPQRUPQ-UHFFFAOYSA-N 439.989 6.586 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 10142101 ZMDHLUQRBMDDRE-OALUTQOASA-N 449.620 5.130 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(F)c(Cl)c3)oc12 12437383 UCHIFDZIQFYDIH-LVWGJNHUSA-N 443.883 5.299 0 40 IKAB Cc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 12603378 QFMYOYLYXJDEBF-UHFFFAOYSA-N 425.863 5.584 0 40 IKAB Cc1c(NC(=O)c2ccccc2C(F)(F)F)cccc1C(=O)N1CCc2sccc2C1 12777131 AAXSXKPOKAUMJO-UHFFFAOYSA-N 444.478 5.526 0 40 IKAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12787195 GXVDSBMEIJJHBO-LZCJLJQNSA-N 443.252 6.013 0 40 IKAB CCCOc1ccc(C(=O)CCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)cc1 12846766 XSESGFXWUAYUHK-UHFFFAOYSA-N 446.551 5.062 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc(-c2ccccc2)cc1 13958759 FUJJCVHCRCANQL-UHFFFAOYSA-N 438.552 6.260 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 14154445 FUFOZDQVCZIMOF-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)c1 14154477 OWJZUFVLVRBXQL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(Nc1cc(Oc2ccccc2)cc(Oc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 16490801 KABPZLBLIGEISG-UHFFFAOYSA-N 439.555 7.426 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 16733606 LFEBJETXWVGQNQ-ZWNOBZJWSA-N 448.828 6.014 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 16739508 YDWZNHSRRNNKOW-UHFFFAOYSA-N 429.523 6.833 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1C 16846905 TUTVAZNGHAXWGC-UHFFFAOYSA-N 443.525 5.046 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 17085921 YYVVLIYYXWRGTF-CYFREDJKSA-N 446.616 6.332 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 17096372 WQMINZFXHHKQAS-OAHLLOKOSA-N 429.347 6.885 0 40 IKAB O=C1c2ccccc2C2(c3ccccc31)[C@@H](C(=O)c1ccccc1)[C@H]2C(=O)c1ccccc1 18256060 CCPHOZPNGOCXHR-WMPKNSHKSA-N 428.487 5.529 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 19633246 ZRPQVVYFJDRIHP-BHWZJQCCSA-N 441.320 5.352 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3ccc(Cl)cc3)cnn12 19817007 ZBQQWZGKVZDZAC-UHFFFAOYSA-N 431.805 5.024 0 40 IKAB O=C(CCc1cc(Cl)no1)Nc1ccc2oc(-c3ccc(Cl)cc3)cc(=O)c2c1 20715390 KQMTUPIXXJDWGJ-UHFFFAOYSA-N 429.259 5.326 0 40 IKAB biogenic Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20734458 XFAZBYOLRKISAC-QHCPKHFHSA-N 425.532 5.081 0 40 IKAB COc1cc(CCC2CCN(Cc3nnc(-c4ccc(Cl)cc4)o3)CC2)cc(OC)c1 21395859 KEKWDHHSENYBMF-UHFFFAOYSA-N 441.959 5.252 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1CNC1CC(C)(C)NC(C)(C)C1 23907981 VREWXNVPLUQFSI-UHFFFAOYSA-N 432.612 5.006 0 40 IKAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1ccccc1Cl 24060508 PCLFJPKCJCFBOK-AZUAARDMSA-N 436.939 5.407 0 40 IKAB CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1ccc(Cl)cc1 28527860 KJFYTHDCUIDXFQ-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1cccc(-n2c(SCc3nnc(-c4ccccc4)o3)nc3ccccc3c2=O)c1 33393466 MPHNEQVQCPXXQO-UHFFFAOYSA-N 426.501 5.036 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 35196440 CJAFSGJMWMUDMF-DDOAZUFRSA-N 439.461 5.388 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2cccc(Br)c2)cc1 40485900 HQXCTGFKKSAZAT-OAQYLSRUSA-N 435.321 5.205 0 40 IKAB Cc1ccc(-c2nnc3sc(NC(=O)C(c4ccccc4)c4ccccc4)nn23)cc1F 41076573 WQAUCQYAUINYMQ-UHFFFAOYSA-N 443.507 5.071 0 40 IKAB CC(C)[C@H]1CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC[C@H](O)C(C)(C)C5=CC[C@@H]4[C@@]3(C)CC[C@]12C 56874814 XVXPXUMUGATHPD-JMJRLLIOSA-N 426.729 8.025 0 40 IKAB biogenic,in-vitro O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccccc2Cl)cc1 59186124 HBMHPWDDCVSFKH-ODLFYWEKSA-N 429.825 6.431 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 67216944 ASPGVDSPBQILOM-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)N(C)Cc3ccc(O)cc3)cc12 69377629 XNWROMVLTICVQC-UHFFFAOYSA-N 445.466 5.392 0 40 IKAB COc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1 71327654 HEHWRSVSAFNFGA-UHFFFAOYSA-N 442.993 5.655 0 40 IKAB COc1ccc(NC(=O)c2sc3ccccc3c2C[C@@H]2CCCCCN2C(C)=O)cc1 72370820 YZANHQPEACQVSY-IBGZPJMESA-N 436.577 5.496 0 40 IKAB COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1nnc(-c3cccc(F)c3)o1)CCO2 78947620 XJZMQLYMLMNEND-QHCPKHFHSA-N 445.494 5.410 0 40 IKAB COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccccc1F 85412232 UMXKUYBTERFLHI-NRFANRHFSA-N 441.528 5.370 0 40 IKAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2cccnc12 102694968 TZTZHUYTZKHNCN-DXNCEWNXSA-N 430.507 5.478 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC(C)C 214101350 FDUUJVWTJJNUGX-UDWIEESQSA-N 431.941 5.762 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(Br)cc1 214943778 QQYSGGMOIUVHSY-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB CSc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 216361043 MJVFUEUKMNWPDD-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1ccc(C(C)C)cc1Br 218877613 IJCZEZJIJFWNOF-LJQANCHMSA-N 446.385 5.678 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 223389404 TWVUVQAMOOJEKW-JOCHJYFZSA-N 445.003 5.221 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 224022196 SXEPTIPMRVMSQP-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1 224061305 WMIHXNZBYKOEIS-UHFFFAOYSA-N 425.594 5.581 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 224400374 YPFADRVQSDCPBS-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540130 PBLTWJAPARTHFW-UHFFFAOYSA-N 425.787 5.218 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1C 224543672 WICCYVSQGJUPKL-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1C(C)C 224564753 HLZPNMDFUMRPSO-UHFFFAOYSA-N 439.555 7.193 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224635130 WMBIBVONGAVRKG-MHZLTWQESA-N 448.651 5.651 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CSc1ccccc1 224652808 QCGPISRMONLSEK-UHFFFAOYSA-N 431.479 6.649 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224692018 PKZVTTLAGURIHS-BJKOFHAPSA-N 427.529 5.952 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(C)[nH]3)cc2)cc1 224723082 GOIZKERYDICCTP-DQEYMECFSA-N 440.572 5.996 0 40 IKAB COC(=O)c1cc(NC(=S)NCCSCc2c(F)cccc2Cl)ccc1Cl 225368760 ANADGFPQVGZIEF-UHFFFAOYSA-N 447.384 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225577515 ZRJOARXCURXLPP-OFVILXPXSA-N 438.612 5.219 0 40 IKAB S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(CSc2ccccc2)cc1 225743027 GEHCDPHVGVFYHX-UHFFFAOYSA-N 447.673 5.714 0 40 IKAB C[C@@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919833 INDJJDBVLCUDMO-OAHLLOKOSA-N 441.988 5.255 0 40 IKAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(F)cc3Cl)c(Br)c2)o1 226341968 HAIKNLVDRLJWJJ-UHFFFAOYSA-N 433.064 5.106 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cccc3cccnc23)C1 257283370 OXZLOINBFFSXBL-QFIPXVFZSA-N 436.555 5.084 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCc3cccs3)CCOCC2)cc1 257310913 UHDXAACZKCFFJF-UHFFFAOYSA-N 439.552 5.219 0 40 IKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408603608 BXCPZRKDEURQAP-UHFFFAOYSA-N 436.722 6.536 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1c1ccccc1 408818259 XHLKQFQKEONLIR-UQQQWYQISA-N 437.520 6.660 0 40 IKAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccccc1OC(=O)c1ccc(Cl)cc1 408840638 CWOONWITMCSTTQ-YLGLTRLVSA-N 429.859 5.569 0 40 IKAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2c4ccccc4C3(Cl)c3ccccc32)cc1 408919333 WNABOGRRIFDPPN-ZOVQAKDCSA-N 443.930 5.223 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409100441 VZNVCKWSACVCTR-IRXDYDNUSA-N 441.000 5.469 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ncc(-c4ccc(Cl)cc4)s3)cc2)cc1 409176399 MLHAHASQXOKIIE-UHFFFAOYSA-N 434.948 6.603 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264423 BPSXHCNAZXZHSU-BAMDZGJYSA-N 428.500 5.346 0 40 IKAB COc1ccc(-c2ccc3c(c2)CN(C(C)C)CCCCCCCN3C(C)=O)cc1OC 643589022 OVYHLOCZFQGBPF-UHFFFAOYSA-N 438.612 5.898 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)c4ccc(Br)cc4)c23)C1 724004 VNDYHYRGEDDKAH-NSHDSACASA-N 433.396 5.554 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 997388 WTRKWNJPRQRXHZ-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB ClC12c3ccccc3C(c3ccccc31)C1(Cl)c3ccccc3C2c2ccccc21 1730098 GCNRUJQUCWOJBF-UHFFFAOYSA-N 425.358 7.256 0 40 IKAB COc1ccc(-c2oc3ccccc3c(=O)c2OC(=O)c2ccc(Cl)cc2Cl)cc1 1789897 JYSKPDFWYFGASE-UHFFFAOYSA-N 441.266 5.995 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nc2c1 2061364 UPOQJDRUGBZLRT-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CCc1ccccc1N1COc2c(cc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)C1 2122875 PCRPMOISHNDZAM-UHFFFAOYSA-N 427.500 5.696 0 40 IKAB biogenic Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1C 2226852 KVDVIHRGLUSQFB-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCn1cc(CNC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)c(C)n1 2503259 YBCVDTRTONOSFM-UHFFFAOYSA-N 449.352 5.119 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Cl)cc1 2582365 MCKTXDVMKJMWKM-UHFFFAOYSA-N 426.769 5.504 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CC1 2650072 ASIHDFOFIVPZFM-UHFFFAOYSA-N 439.928 5.188 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3)cc12 2660763 WGOWLVVAZQJACP-AWEZNQCLSA-N 439.924 5.233 0 40 IKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1cccs1 2708467 QUECTDQGOAESDH-LJQANCHMSA-N 426.912 7.527 0 40 IKAB O=C(CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1)c1ccc(F)cc1 2948923 SEBORIHLJULCDS-UHFFFAOYSA-N 433.464 5.216 0 40 IKAB Cc1ccc(C(=O)C[C@H](Nc2ccc(Br)cc2)c2ccc(C(C)C)cc2)cc1 3152028 NOQSENIQUPQVLR-DEOSSOPVSA-N 436.393 7.307 0 40 IKAB O=C(c1ccco1)N(Cc1ccccc1)C[C@@H](O)COc1ccc2oc3ccccc3c2c1 3243507 OIGYVLHMWHMCMK-HXUWFJFHSA-N 441.483 5.261 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3319576 LZCWWOSAFSUJDG-IAGOWNOFSA-N 441.000 5.469 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 4646524 GPUFBDGDSHCGJK-UHOSZYNNSA-N 425.594 5.818 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 6264758 KINRVHRTXCXJSG-UHFFFAOYSA-N 426.564 6.447 0 40 IKAB COc1cccc(NC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 8442728 NLNGMPLJWKWFIF-UHFFFAOYSA-N 437.443 5.275 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 8620649 HJJKWXNGBKTKJU-KRWDZBQOSA-N 432.549 5.195 0 40 IKAB CCCCN(CC)c1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 8625584 XTHDNGVDWUDXEL-UHFFFAOYSA-N 428.671 6.275 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8753177 SEEUMVOZCGARPC-IBGZPJMESA-N 429.495 5.083 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)cc1 8812508 WNMUCCYAZFKESI-UHFFFAOYSA-N 436.364 6.072 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC[C@@H](c2nc(-c3cccs3)no2)C1 9203942 RJGAAEGJBIOUBV-GOSISDBHSA-N 430.533 5.877 0 40 IKAB COc1cccc(-c2nnc(SCc3cccc(F)c3)n2-c2ccc(Cl)cc2)c1 9308949 KFQXIMOBFUHNFF-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)Nc1ccccc1Oc1ccccc1 9365876 LGGSRTRREKPZKY-UHFFFAOYSA-N 443.532 5.198 0 40 IKAB Cc1ccc(C(=O)NCCn2cc(SCC(=O)Nc3ccccc3)c3ccccc32)cc1 9391865 ILIZXNPKFFHASO-UHFFFAOYSA-N 443.572 5.111 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC)c(OCC)c1 9409268 DMXBBEZVURHASH-VWLOTQADSA-N 449.551 5.315 0 40 IKAB CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 9668564 CCEJNJSGPHPNSV-LYBHJNIJSA-N 428.532 5.357 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 9720344 YVCIEDQSNQPEOR-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB CCOc1ccc(-n2c(SC[C@@H](O)c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 11811438 ZZSOKTMVCVEKTR-HSZRJFAPSA-N 447.560 5.167 0 40 IKAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4ccccc4F)C3)cc2n1 12220362 BOPROLDWWDKKPT-CQSZACIVSA-N 434.437 5.030 0 40 IKAB O=C(CSc1ncnc2c(-c3ccc(F)cc3)nsc12)Nc1cccc2ccccc12 12474411 CPNZNSSMBWJHRG-UHFFFAOYSA-N 446.532 5.776 0 40 IKAB CC(C)n1c(SCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)nc2ccccc21 12529158 OBBZDJLIZZJBHE-UHFFFAOYSA-N 432.574 5.875 0 40 IKAB CNC(=O)c1ccc(/C=C/C(=O)N(c2cc(C)cc(C)c2)c2nc3ccccc3s2)cc1 12930971 NFWALKYZJBMCCW-JLHYYAGUSA-N 441.556 5.651 0 40 IKAB CC[C@H](C)c1ccc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCC4)cc3)cs2)cc1 13060655 MVJXMYUZLDUBAX-KRWDZBQOSA-N 441.622 5.852 0 40 IKAB CC(C)[C@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 13550787 SGTBFGONDLTQHI-VWLOTQADSA-N 434.580 5.527 0 40 IKAB C[C@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 13893407 NTUUEGNLHWOMJX-BTYSJIOQSA-N 432.567 7.001 0 40 IKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2cn(C)c3ccccc23)cc1OC 13945660 XPURUEBBZVCKKD-AREMUKBSSA-N 430.548 5.192 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nc(COc3ccccc3C)n[nH]2)c2ccccc2)cc1 14182911 XBLFHQAOZMFGTD-QHCPKHFHSA-N 444.560 5.473 0 40 IKAB O=C1CS[C@H](c2ccc(Cl)cc2)N1c1nc(-c2ccccc2)c(-c2ccccc2)s1 15083545 JVIHIBCNETYUFM-HSZRJFAPSA-N 449.000 6.909 0 40 IKAB CC(=O)Nc1ccc2c(CSc3ncc(C(F)(F)F)cc3Cl)cc(=O)oc2c1 15088723 YENNBKNTWWHLSQ-UHFFFAOYSA-N 428.819 5.111 0 40 IKAB COc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@@H](c2ccc(Cl)cc2)C1 15188060 ZKLQWDWUKUGDOL-OAQYLSRUSA-N 431.750 7.011 0 40 IKAB CC[C@H](SC1=Nc2ccccc2C2=N[C@H]([C@H](C)CC)C(=O)N12)C(=O)Nc1ccccc1C 15783622 HTFJGDBBWXQQCN-GQWLDOHISA-N 448.592 5.150 0 40 IKAB COc1ccc2nc(N3CCN(C(=O)c4ccc(Oc5ccccc5)cc4)CC3)sc2c1 15882389 QJBTVMXZLHHDFX-UHFFFAOYSA-N 445.544 5.060 0 40 IKAB CCOc1ccc2ccccc2c1[C@@H]1N=C(O)c2c(sc3c2CC[C@@H](C(C)(C)CC)C3)N1 15946162 RBTXLRLOHAHMCJ-MZNJEOGPSA-N 448.632 7.270 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl 16284299 CTLPCINXJIVPNY-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB O=C(O)c1ccc(CNCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1 16525964 LHZQSSFCCKBBOD-UHFFFAOYSA-N 431.919 6.060 0 40 IKAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1ccccc1C(F)(F)F 16777933 LPPIATKXTCRLAF-UHFFFAOYSA-N 449.502 5.232 0 40 IKAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@@H](c3ccccc3)C[C@@H]12 16957229 RRYJEBVHIBXFON-DYESRHJHSA-N 427.466 5.323 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 17095961 KEUCKKLDSRMYGY-GOSISDBHSA-N 428.532 7.049 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 17096365 FBSBGUUBMWRZSZ-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 17097664 AODWZVQSWNAWOX-UHFFFAOYSA-N 431.586 5.558 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 19641128 BSTSFMGEUHJXJC-KRWDZBQOSA-N 444.535 5.269 0 40 IKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)c3cnc(C)nc3C)CC2)n1 19691841 KCJBAYHZQUDHIG-UHFFFAOYSA-N 434.971 5.061 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCCCCC3)c(Cl)c2)cc1 20048916 MPOSQKFBEMEPIU-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20108425 WOYVZVWBDHWMBX-FQEVSTJZSA-N 426.409 6.139 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c(Br)c1 20144461 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COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccccc1F 59418131 DBUBUJRQPHYKPT-HYARGMPZSA-N 435.476 5.654 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2c(Cl)cccc2Cl)cc1 67197128 MXKCJPDXAAMLJF-NFBKMPQASA-N 425.315 6.244 0 40 IKAB Cc1cc(C(=O)NCc2nc3ccccc3n2C(C)C)cc(C)c1OCc1cccnc1 72288876 XKCKNFTVAGGIAZ-UHFFFAOYSA-N 428.536 5.138 0 40 IKAB Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc1 72353142 XCUFBAICIAQFRS-DEOSSOPVSA-N 425.536 5.306 0 40 IKAB COc1ccc(CN2CCC(c3cc4c(ncn4C)c(-c4ccc(OC)cc4)n3)CC2)cc1 96099982 SCZWCAADUUHWAQ-UHFFFAOYSA-N 442.563 5.032 0 40 IKAB COc1cc([C@@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O 102718907 CVVXFOSGVKKCCL-QFIPXVFZSA-N 431.492 5.118 0 40 IKAB C[C@H]([C@@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 102817356 POPRPECCKAJPEI-LFGUQSLTSA-N 438.572 5.681 0 40 IKAB C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 118915969 KGICHBLSYNZKLD-UWSUWAIJSA-N 446.719 8.446 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccccc1F 214324269 NFHMNQBMXIZTQI-LPYMAVHISA-N 437.467 5.780 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3c(C)cccc3C(C)C)c2)cc1 222546599 AALMFJNXIBLUOD-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 222841071 BOSCVILNYMRCJQ-VWLOTQADSA-N 438.612 5.083 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 223103851 BRTDOMGMCKWXFB-VWLOTQADSA-N 425.016 5.698 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223654377 LUVCCZQBOCLSES-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC1CCCC1 223791049 OQXNOZFWUFGRGC-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224206937 ODZOTXPMMHFHCY-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1C 224264889 RCCQDLYJYPMOFG-CLJLJLNGSA-N 444.648 6.409 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 224276100 GWILKMCVOGCEGI-LJQANCHMSA-N 447.044 5.071 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl 224863666 YIGLGVISXANCMB-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225015073 MVQWYPYRJLVNNO-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225246670 BSTONTKLHNOBIY-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 225298447 SWOWUTLQWHWEHE-UHFFFAOYSA-N 447.922 5.946 0 40 IKAB Cc1cccc(CN(C(=O)CCCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 225513655 XWVCMZPQBMLOCN-IBGZPJMESA-N 447.044 5.463 0 40 IKAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225978316 INHLFIGUBBPSPL-SFHVURJKSA-N 441.620 5.101 0 40 IKAB 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)CCc2ccccc2)C1 245240184 OSYGNEOCCSKLON-SBAYCJMBSA-N 438.652 6.325 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 257203444 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COc1ccc(C)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 409411297 FOQBCBYLRILSND-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 409414237 JBYMGGHUFOKKPL-KAOXLYBCSA-N 433.621 5.154 0 40 IKAB Cc1ccc(CNc2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)cc1 2037931582 TZXUITSYUZPYAU-UHFFFAOYSA-N 442.607 5.703 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)c1 630195 LONVSWPAJYYGPV-UHFFFAOYSA-N 442.953 5.045 0 40 IKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cc(Cl)ccc4Cl)cc3n2)cc1 687114 DUFSMAAYUJUOEJ-UHFFFAOYSA-N 441.318 5.663 0 40 IKAB COc1cccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3n2)c1 883769 DJZAYHRPMRMKBK-UHFFFAOYSA-N 446.816 5.329 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1ccc(Cl)cc1)nc(C)n2Cc1ccc(Cl)cc1 1338735 CYROUFBLYPWVNU-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB CCCC(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccc4OCC)n3)ccc21 1365735 VPSVZIWQIBZXPV-UHFFFAOYSA-N 435.549 5.150 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)cc1 1810908 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CC[n+]1c(/C=C/C=C2\N(C)c3ccccc3C2(C)C)n(/C(F)=C(/F)Cl)c2ccccc21 3214121 OHZMCNSJSMEUNP-WCWDXBQESA-N 440.945 6.535 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)c1 3266826 XJTSCQTUMMWQRG-LJQANCHMSA-N 444.575 5.798 0 40 IKAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1cc(-c2ccccc2)nc2ccccc12 3269640 PJMWIPTXWJCLAR-UHFFFAOYSA-N 435.430 6.181 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(c2ccccc2O)CC1 3307406 AAXCFBDBYULNMW-UHFFFAOYSA-N 443.934 5.223 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1S[C@H](C)C(=O)NCc1ccccc1 3358655 YVBWIZVSKCXVBX-OAHLLOKOSA-N 442.968 5.309 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCc2ccccc2)sc2c1CCCC2 3360981 FXZHUNMGNQPQLQ-UHFFFAOYSA-N 435.545 5.635 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1C 3379176 OKAARQHDNMJTOA-ZYHUDNBSSA-N 439.368 5.048 0 40 IKAB CCOc1ccc(CNCC[C@@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC 4073147 CJHMCYLLXMOHLY-KAYWLYCHSA-N 425.613 5.655 0 40 IKAB biogenic CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@]12C 5188348 QJUQBYMZJRWYDP-KLHPKIDMSA-N 432.645 6.793 0 40 IKAB CCCCN(CCC)CCOC(=O)CCCCC(=O)OCCN(CCCC)CCCC 5419355 YGFXQQPEOVGOKY-UHFFFAOYSA-N 442.685 5.048 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1OC 8400157 OJWHSJIOGRNFJA-ZLNRFVROSA-N 427.327 5.927 0 40 IKAB COc1ccc(C2=NN(C(=O)/C=C/c3ccccc3)[C@H](c3ccccc3)C2)c(OC(C)=O)c1 8684631 NHOPCFDQUMPFTB-BEWKRWDNSA-N 440.499 5.012 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ncc(Cl)cc1Cl 8685934 YIJPEFNZZMASKU-UHFFFAOYSA-N 429.332 5.458 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F)c1c[nH]c2ccccc12 8693871 CYFHHWFSOJXAJA-UHFFFAOYSA-N 447.466 5.120 0 40 IKAB aggregator O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 8718869 FHLIDALJARBMGH-VWLOTQADSA-N 438.426 5.279 0 40 IKAB Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)cc1F 8756930 IUCXXVFUAZZGNF-UHFFFAOYSA-N 434.467 5.002 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 8831911 KODUBNPOJWKLEZ-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB O=S(=O)(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1 8857292 CZSYJWGANAEJRY-VGOFMYFVSA-N 426.950 5.921 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2cc(C)ccc2C)c1C 8926542 MAVCVXUSZKEBJA-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c1 9064971 KSSOKTFSVJSPAH-UHFFFAOYSA-N 446.532 5.114 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 9246874 LSVVQGOVNUXOAF-RSYZWFLXSA-N 426.604 7.258 0 40 IKAB COc1ccc(N[C@@]2(c3ccccc3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 9353342 CMLVNNGIURTVKP-MUUNZHRXSA-N 436.511 5.677 0 40 IKAB COc1ccccc1C(=O)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 9404452 VJBLVQBSNTXVNV-UHFFFAOYSA-N 443.528 5.672 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1 10015272 IVQJHZVPZOEHEE-UHFFFAOYSA-N 426.542 5.173 0 40 IKAB Cc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 10128868 QKDIXSCNYNXFGR-UHFFFAOYSA-N 427.500 6.056 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2NCc2ccccc2Cl)cc1 12419406 CUMPBYUKZIXIRV-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB COc1ccc(C(=O)CSc2nc(CC(=O)Nc3ccccc3SC)cs2)cc1 12444202 RPAUJXIPLLCNRF-UHFFFAOYSA-N 444.603 5.030 0 40 IKAB Cc1ccc(C(=O)[C@]2(C)[C@@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 12447547 IZLCZMCKMFJVOT-RNCAPKPVSA-N 436.463 5.516 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Cl)cc3)C3CCCCC3)cc2c1 12645090 WWQMWYRGADKRDY-UHFFFAOYSA-N 438.955 5.555 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c1 12935502 UTPKCKRGJHPOQD-UHFFFAOYSA-N 434.561 5.539 0 40 IKAB COc1cccc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1OC(F)F 12997226 FSRSYJXCQNSRDU-PCUGXKRQSA-N 430.476 5.283 0 40 IKAB C[C@H](Oc1ccccc1F)c1nnc(SCCOc2ccc(Br)cc2)o1 13127904 OWMAFKXTKHJMQP-LBPRGKRZSA-N 439.306 5.282 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 13562469 MNDJWAKEJGFTBX-NYSUNNPDSA-N 427.931 5.891 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1cccc(Cl)c1)CC2 13690597 WTUKOZHYVILEJN-HSZRJFAPSA-N 440.902 5.676 0 40 IKAB Cc1c(C(=O)Nc2cc(Cl)cc(Br)c2OC(F)F)oc2ccccc12 14171196 RXNXNKZDGADENB-UHFFFAOYSA-N 430.632 6.011 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1Cl 14272540 BEUSTFGEBSNOOZ-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB COc1cccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)c1 16568247 ONAAKJFSVLACBI-UHFFFAOYSA-N 444.534 6.430 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccc(Cl)cc2)c1 16788963 MKPVMRMDVIXWQC-UHFFFAOYSA-N 448.035 7.486 0 40 IKAB O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCc1ccccc1Cl 16849196 PNELHLZEBQHEQB-UHFFFAOYSA-N 449.363 5.343 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)c(F)c1F 17094263 PFYYAQQUBLAGFQ-UHFFFAOYSA-N 425.190 5.420 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 17099496 FVITYWYTDTZJAS-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB CC(C)OCCCNc1nc(Nc2ccc(Cl)cc2)c2cnn(-c3ccccc3)c2n1 17113525 VNSDFZXSNUQMMB-UHFFFAOYSA-N 436.947 5.440 0 40 IKAB CCN(C(=O)CSc1nc(C(F)(F)F)nc2ccccc12)c1nc2ccccc2s1 17219079 SMBQFJRORNXFGZ-UHFFFAOYSA-N 448.495 5.404 0 40 IKAB Cc1cccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccc(F)cc2)c1 19235065 ZXKQUSNUCFDREJ-SDHOMARFSA-N 434.580 5.326 0 40 IKAB O=C(C1CCC1)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19337002 OUJVKEHUWYGTEZ-UHFFFAOYSA-N 432.955 5.365 0 40 IKAB CC1=C(C(=O)OC(C)C)C(c2ccc(Cl)c(Cl)c2)C(C(=O)OC(C)C)=C(C)N1 19680817 QVQAWOYCALNDPW-UHFFFAOYSA-N 426.340 5.131 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)o2)ccc1-c1ccc(CO)o1 20150991 DZRKPCYTDQEYKR-UKTHLTGXSA-N 433.891 6.313 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc(OC)c(OC)cc23)cc1 21017709 IDWYTDQDJDLSHF-UHFFFAOYSA-N 445.906 5.920 0 40 IKAB CCOC(=O)c1c(NC(=O)Nc2ccccc2)sc2c1CCN(Cc1ccccc1)C2 21345687 FSNZXFKCWAYOTI-UHFFFAOYSA-N 435.549 5.127 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578884 CRLGGLBJWHJNIR-UHFFFAOYSA-N 442.559 6.869 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cc(C)ccc2C)cc1 22275458 MAAQZILOQQVQBT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB C[C@@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2ccccc2O)CC1 29450005 HXMNWZQIADNDPO-IBGZPJMESA-N 446.982 5.327 0 40 IKAB Cc1nc(NC(=O)Cc2c(C)[nH]c3ccc(Br)cc23)sc1-c1ccccn1 30702045 XNEWNVIKGCFIBC-UHFFFAOYSA-N 441.354 5.247 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)co2)cc1 31702513 AYUHQISPFRLNAC-UHFFFAOYSA-N 428.311 5.755 0 40 IKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N(C)Cc2c(C)nn(-c3ccccc3)c2C)s1 32721545 KGRCNRQNIIYRNI-UHFFFAOYSA-N 448.567 5.261 0 40 IKAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(COc2ccc(Cl)cc2)cc1 32967243 QHIVLRLOQJFRMW-QHCPKHFHSA-N 438.955 5.469 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3ccc(F)c(Cl)c3)c3ccccc3n2)cc1 32985623 UZAUMWIMKNZVCT-UHFFFAOYSA-N 436.870 5.720 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 33018496 BSZVODKZKASVFG-UHFFFAOYSA-N 435.574 6.420 0 40 IKAB Ic1cncn1C(c1ccccc1)(c1ccccc1)c1ccccc1 34552960 RHIHYGRNJPIXIV-UHFFFAOYSA-N 436.296 5.328 0 40 IKAB CCOC(=O)c1sc2nc(C)nc(Sc3nnc(-c4cc(C)cc(C)c4)o3)c2c1C 40023362 VFWDTTBGEWEHTM-UHFFFAOYSA-N 440.550 5.303 0 40 IKAB S=c1n(CCc2ccccc2)c2ccccc2n1C1c2ccccc2Oc2ccccc21 40545368 XWKCOBMHGJHZQR-UHFFFAOYSA-N 434.564 7.158 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 44880179 JEHGCQYTNSGPSI-UHFFFAOYSA-N 427.548 5.030 0 40 IKAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2ccccn2)c2c(C)nn(C(C)(C)C)c2n1 48288083 DLIUDXNUJWQQHH-QHCPKHFHSA-N 427.552 5.060 0 40 IKAB COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(C)c(C)c3)CC1)c1cccn1-2 57719447 CDAOSMUFXIDEBT-UHFFFAOYSA-N 443.591 5.482 0 40 IKAB O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Nc2ccccc21 59488531 JQUFHSINCNXLJV-MHZLTWQESA-N 436.511 5.699 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)CCc2ccccc2)n1 72390733 OUWBZSVOFYFWGT-QFIPXVFZSA-N 432.568 5.387 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@]12C[C@H]3CC[C@]1(C)[C@]3(C)CO2 100713298 MNWDEVCUPZTABE-JUJUEEDWSA-N 425.550 5.126 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c1 102640720 FRBDFGGZBPEKEX-XUJKJYMVSA-N 428.576 6.244 0 40 IKAB N=C1C2=C3SC=C(c4ccc(Br)cc4)N3CCCC2=NN1c1ccccc1 103965974 BVXILCQGGYGHNQ-UHFFFAOYSA-N 437.366 5.655 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)cc1 106975089 GZZSYCIKAJNNMU-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCc1ccc(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 113938354 TXHUEERVKDWNPS-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1 147839189 XKEJXKWLTSHIHZ-UHFFFAOYSA-N 434.989 5.110 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccccc1 208654107 LERCPBBNQRPVSK-UCQKPKSFSA-N 428.488 6.070 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 223048483 GHTPDWRTFBYSEM-FGZHOGPDSA-N 439.606 5.143 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076330 PAPPHZQFKIZCJM-UHFFFAOYSA-N 425.315 5.839 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C(C)C 223327643 HGMDFKJAIYDIMR-MRXNPFEDSA-N 434.374 5.454 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n(-c2ccccc2)c1C 223366834 TYPPUHQARVTOSI-LOSJGSFVSA-N 442.588 5.563 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223396181 MNXBSWGFVWUJPH-DQEYMECFSA-N 440.572 5.054 0 40 IKAB CC(C)CCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223425545 QCWITCGUTXOVOU-UHFFFAOYSA-N 438.977 5.164 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223632164 KQJDOIWDXMXHAQ-WOJBJXKFSA-N 448.375 5.003 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 223746823 KWYVRBPCIXRANO-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 223923191 OXYCLGMRYBHHHB-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc2ccccc2c1 224312931 SDZOHSMVSWBVOX-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 224317153 LSMJFQJLPYJKGG-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C 224364660 PEUVQORQFMMQSW-DQEYMECFSA-N 432.637 6.381 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 224404042 PWZSMTMUIFSKDM-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(OC)cc1 224598729 WARVWOJNQGWTFF-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 224809589 KNSFCNDPTPTNRM-LJQANCHMSA-N 436.983 5.369 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)ccc1Br 224918090 QWENBBRNYQWTHC-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225477115 GMDUPRLVKLJMIW-PXDATVDWSA-N 436.640 5.639 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 225552944 QGHBGFBCMUMAHG-CVDCTZTESA-N 444.616 5.089 0 40 IKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557642 VCUGNFSAIROPEP-UHFFFAOYSA-N 448.434 7.630 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCc2ccc(Cl)cc2Cl)c1 225571658 ROJSMCGIJBWBLN-NDENLUEZSA-N 445.371 5.451 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225612816 PJISGJYYJMDASR-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225615136 NBOUSXIHWKXORR-AVRDEDQJSA-N 447.044 5.463 0 40 IKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)c(Cl)c1 225659990 ZFRXDOCRCWNXBC-ZDUSSCGKSA-N 425.823 6.145 0 40 IKAB Cc1cccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)c1 225815074 ZWYFCKXECIYRSV-UHFFFAOYSA-N 443.347 5.654 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(I)c1 226333787 PMPJQGDIBBHTRF-UXBLZVDNSA-N 442.680 5.100 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H](c2csc(Nc3cccc(C(F)(F)F)n3)n2)C1 257222922 DVEAIMMBSNVSFD-LBPRGKRZSA-N 428.480 5.415 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257269671 MQWLZWDJPRFSRK-FQEVSTJZSA-N 448.523 5.209 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 257323711 WLOJFWFQQAKDNT-MRXNPFEDSA-N 435.568 5.223 0 40 IKAB COC(=O)CC[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 257350641 YWMXOBLUILSCFX-MHQUPPPLSA-N 446.628 5.345 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408555510 HCOGZABPXQEAKD-HSZRJFAPSA-N 443.927 5.845 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2C)ccc1NC(=O)c1ccc(Cl)cc1 408602687 FHTGQLYSAVBVJU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1c(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)c2ccccc2n1Cc1ccccc1 408634385 QMRKNHUUWDMUDS-IWIPYMOSSA-N 439.540 6.092 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=c3\sc4nc5cc(C)c(C)cc5n4c3=O)c2c1 408780476 ZNICVENEBWUGFJ-OYKKKHCWSA-N 444.556 5.024 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\S[C](Nc4ccc(Cl)cc4C)NC3=O)cc2)c1 408808614 JQJZYCKHSPEWKO-UHFFFAOYSA-N 449.983 6.299 0 40 IKAB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C 408810313 IPNKNKMUWUSJHP-NDDKWJIQSA-N 444.624 6.541 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)Oc2ccc(-c3ccc(C)cc3)cc2C)cc1 409183989 VVYXBHUFHBJXMS-UHFFFAOYSA-N 438.523 6.777 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccc(Cl)cc2)c1 409212754 QREJQOZATRCMTI-UHFFFAOYSA-N 441.000 5.391 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1C 409341016 BYUMHCQZHCORBI-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB O=C(C1CCCCC1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl 575443543 UPQMECKGHSCBTF-UHFFFAOYSA-N 429.351 6.898 0 40 IKAB Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2ccc(C(F)(F)F)cc2)n1 585268781 KPGAQQXGHSRHHP-IBGZPJMESA-N 446.498 5.455 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccncc3)cs2)cc1 1857777451 YYORGGAMBAZQIJ-QHCPKHFHSA-N 446.963 6.223 0 40 IKAB CCC(=O)Nc1ccc(NCc2ccc(OCc3ccc(F)cc3Cl)c(OC)c2)cc1 624273 NAPNJRJHFXGTBD-UHFFFAOYSA-N 442.918 6.027 0 40 IKAB CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 673913 MEDGTNVTZGDPBK-YJBOKZPZSA-N 432.471 5.518 0 40 IKAB CCOC(=O)COc1cc2c(C(=O)OCC)c(C)n(Cc3ccccc3)c2c2ccccc12 709114 RKSMCXKFBJAZPW-UHFFFAOYSA-N 445.515 5.270 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1ccccc1Cl 870418 ZZABWJHGMNMMTA-UHFFFAOYSA-N 434.952 5.242 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C2CCCCC2)cc1 878482 PQYUMPVERURFPU-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3cccc(Cl)c3)c3c2sc(C)c3C)cc1 930327 YOZPMWWGCNEVGE-UHFFFAOYSA-N 436.964 5.394 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccccc3)nc2c1 1093081 SJZQCBYQFYCNRP-UHFFFAOYSA-N 426.520 5.486 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1378386 NBPQBPILXHQSPH-UHFFFAOYSA-N 425.532 5.688 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1c(Cl)cc(Cl)cc1Cl 1439799 LFHXXTKWCVWRBD-UHFFFAOYSA-N 445.784 5.973 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 1448093 QZSQGIRBZMLBFY-UHFFFAOYSA-N 436.441 5.043 0 40 IKAB biogenic CC(C)(C)c1ccc(CSc2nnc(COc3ccc(Br)cc3)o2)cc1 2073173 UMJOHNULHSLDLA-UHFFFAOYSA-N 433.371 6.001 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4ccc(OC(F)(F)F)cc4)c(C)c3cc12 2147143 FTWQUHQAAGAOJA-UHFFFAOYSA-N 445.393 5.626 0 40 IKAB biogenic Cc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 2256251 VRKMJBZOEIIDHI-DNQXCXABSA-N 426.907 5.453 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 2257987 SPDSPJFXXCHCNO-LEWJYISDSA-N 430.558 5.621 0 40 IKAB Clc1cc(Cl)cc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2266813 YYLIXYZGKBPJFN-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1-c1ccccc1 2346110 CXFRFXZBZJEEGX-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 2474675 NNYZHYNXLTWYPL-HUUCEWRRSA-N 426.870 5.213 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)o2)c(C)n1CCc1ccc(F)cc1 2618984 XVDYGIZTDKXGGW-UHFFFAOYSA-N 435.524 5.512 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccccc3F)ccc12 2667609 RSIHSRVMCOIISB-UHFFFAOYSA-N 425.253 5.941 0 40 IKAB biogenic CCCCSc1nnc(CSc2ncccn2)n1-c1cccc(C(F)(F)F)c1 2706221 YBZFUTQHQMVNTI-UHFFFAOYSA-N 425.505 5.261 0 40 IKAB O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 2724593 HALCFPLBSPFNGB-NRFANRHFSA-N 429.278 5.316 0 40 IKAB Cc1ccccc1Cn1nc(NC(=O)c2ccc(COc3ccc4c(c3)CCC4)o2)cc1C 2729830 ZDLXPIPFJNIYOS-UHFFFAOYSA-N 441.531 5.461 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F)c1ccc(Cl)cc1Cl 3112351 AFHMKYDSFKKCOH-CQSZACIVSA-N 432.147 6.118 0 40 IKAB Cc1ccc(N(c2cc(C(C)C)c(O)c(C(C)C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 3230445 ZIBOUCDAHCIIHR-UHFFFAOYSA-N 437.605 6.783 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3300045 YGDGQIHNCBMZQL-UHFFFAOYSA-N 437.008 6.875 0 40 IKAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1c(C)cc(C)cc1C)c1ccccc12 3368407 ZADWJPQMSQSWBU-UHFFFAOYSA-N 437.517 5.407 0 40 IKAB aggregator CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 4150500 QNKCBKMCQDQVTC-UHFFFAOYSA-N 439.309 6.400 0 40 IKAB Cc1ccc(C(=O)Oc2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 4207930 UYZYWBCWHMVUQG-UHFFFAOYSA-N 426.255 5.322 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCCC3)cc2c1 6300292 WILYPSBGYFRGSF-UHFFFAOYSA-N 425.642 5.487 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 8440001 HGULZIZJVDBRTI-DGCLKSJQSA-N 432.373 5.499 0 40 IKAB COc1ccc(/C=C(\NC(=O)c2ccc(OCC(C)C)cc2)C(=O)Nc2ccccc2)cc1 8722297 FCXAZTFVABBZKT-UQQQWYQISA-N 444.531 5.140 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)s2)cc1 8753773 QNXACMFPYVLKNF-UHFFFAOYSA-N 425.513 6.103 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8959039 ADNNGQFEUAYRPO-UHFFFAOYSA-N 430.932 5.009 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)/C=C/c1ccc(Cl)cc1 9064975 DSPLTYQTKKTCGH-IZZDOVSWSA-N 448.935 5.378 0 40 IKAB Oc1cc(OCc2ccc(F)cc2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 9130699 JDCAYPGFRRFMSB-UHFFFAOYSA-N 439.284 5.930 0 40 IKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9190023 QXKBOPHSPFAFFG-UQBPGWFLSA-N 428.532 5.619 0 40 IKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(C(C)C)cc3)[C@@H]3CCS(=O)(=O)C3)oc2c1 9191107 CELYEUUUKRADGL-OAQYLSRUSA-N 439.577 5.003 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9210156 BWGWSUIFERGGLX-NRFANRHFSA-N 448.931 5.622 0 40 IKAB CCCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355605 GBSKHQJWIVEOGS-AFMDSPMNSA-N 431.580 5.578 0 40 IKAB Cc1ccc(C)c(CSc2cn(CCNC(=O)c3ccccc3C)c3ccccc23)c1 9391839 FNJRXMJYKYVCAP-UHFFFAOYSA-N 428.601 6.289 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1C 9463333 DJUYGEMQUNXZHT-IBGZPJMESA-N 433.939 5.531 0 40 IKAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3N2)c1 9556690 LQVVRETYJPAIQE-VHKYSDTDSA-N 444.457 5.043 0 40 IKAB Cc1ccc(C)c(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c1 9972076 IAYUIBOLERIQCS-UHFFFAOYSA-N 447.507 6.495 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1)c1ccccc1 10076234 YDITXOTYOCVVNF-UHFFFAOYSA-N 449.510 5.121 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccc4c(c3)OCCCO4)cccc2c1=O 11723636 YJPIXQKZPUYYEJ-UHFFFAOYSA-N 427.456 5.182 0 40 IKAB Cc1c(-c2ccccc2)c(=O)oc2ccc(OS(=O)(=O)c3ccc(Cl)cc3)cc12 11866224 QAFKBBGTUUVRQA-UHFFFAOYSA-N 426.877 5.190 0 40 IKAB biogenic COc1cccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)c1 12220041 SEPTZGSFMCAITC-UHFFFAOYSA-N 449.576 5.031 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12226401 CMHJUQSMLSRPGJ-UHFFFAOYSA-N 430.348 5.254 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OCC)cc32)cc1 12484924 QGWBYNWGGRFZGP-UHFFFAOYSA-N 447.966 6.352 0 40 IKAB O=C(CCC(=O)c1ccc2c(c1)OCCO2)O[C@@H](c1ccccc1)c1ccc(Cl)cc1 12540211 AWAFRTBWWXTBLQ-VWLOTQADSA-N 436.891 5.407 0 40 IKAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC 12602322 BUUQPBMMBRTQII-VYENPZKTSA-N 425.916 5.001 0 40 IKAB C[C@H](NCCSc1ccc(Cl)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 12820133 LWUARQFBSWANHW-LBPRGKRZSA-N 448.038 5.809 0 40 IKAB CCOc1ccc(NC(=O)c2c(C)nc(-c3cccs3)nc2SC)cc1OCC 12858851 AHVKCTIGJRHYLP-UHFFFAOYSA-N 429.567 5.285 0 40 IKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 12884539 BJCHICZXAWGDFL-CREZILFCSA-N 426.000 5.743 0 40 IKAB biogenic COc1cc(CSc2nc(CC(=O)Nc3ccc(C)cc3C)cs2)cc(OC)c1 13010349 IYVVNECOPVQGCQ-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(F)ccc1F 13133997 ZOHBOSBARYADTA-UHFFFAOYSA-N 434.439 5.060 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N(C)c3ccccc3)n(C3CCCC3)c(=O)c2c1C 13135005 PTOMQLTZANLVDU-INIZCTEOSA-N 441.622 5.334 0 40 IKAB C[C@@H]1C[C@@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 13940059 CJIMPNHZPWPCSQ-SKCUWOTOSA-N 446.550 6.514 0 40 IKAB COc1cc(/C=C2/N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 13940313 QGVGEICAYZRPHT-RGVLZGJSSA-N 437.854 5.411 0 40 IKAB Cc1csc(-c2ccc(OCC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)cc2)n1 14184876 HYVGXSXFICTRTF-QFIPXVFZSA-N 438.549 5.604 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)c2ccccc21 14360600 NTXKHASIDPVCCF-JOCHJYFZSA-N 430.331 5.638 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cccc4ccccc34)cc2)c1C 14405270 COOCCCQIDWDCKU-UHFFFAOYSA-N 440.547 5.958 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 16216598 ILVVMUJPEPCDLE-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)nc2cc1Cl 16284222 HFWQXLILKDKBMJ-UHFFFAOYSA-N 437.735 7.077 0 40 IKAB CCCCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 16638533 FSSCMPBEQPRBTI-UHFFFAOYSA-N 440.809 6.360 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(Cl)c3)no2)cc1 16846445 GXMDVRRONAFNHT-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB O=C(NC(=S)Nc1cccc2c(O)cccc12)c1ccc(OCc2ccccc2)cc1 17095883 DDCOYEMSOQVPJX-UHFFFAOYSA-N 428.513 5.251 0 40 IKAB COC(=O)c1cccc(Cn2nc(-c3ccc(C)cc3)c(Cl)c2-c2ccc(C)cc2)c1 17097266 YWOVDRUKHSTVQD-UHFFFAOYSA-N 430.935 6.322 0 40 IKAB C[C@H](Oc1ccc(-c2ccccc2)cc1)c1nnc(S)n1-c1ccc2c(c1)OCCO2 17097575 OXYZHLMJMISLPO-INIZCTEOSA-N 431.517 5.134 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3O)nc2c1 17099494 CFRWVTRWGUBVFK-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccccc1Cl 17101833 LOBCAWRZGMYTGH-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc12 17197738 ZHYCDPOQKOCTHY-CFZJULNLSA-N 434.583 7.694 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)c1 19294054 JCXMNAHJFUXSPY-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 19636553 WRMROMGPMDZCBM-LJQANCHMSA-N 442.559 7.149 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)c(C(=O)O)c1 20151106 TXJGYRGDMAHGRT-ZZXKWVIFSA-N 436.678 6.257 0 40 IKAB COc1ccc(-c2cn3c(CC(=O)N4c5ccc(F)cc5CC[C@H]4C)csc3n2)cc1 20555535 UTSFRYJXQZJNFR-OAHLLOKOSA-N 435.524 5.121 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1cccc2ccccc12 20672762 KOQHPKZUEPXKJT-UHFFFAOYSA-N 441.922 5.721 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(Cl)c1)C3 20796306 KJNUOLWDMDGSNX-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB COc1cccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)c1 21150415 OICNNRNBNDAYIV-UHFFFAOYSA-N 432.833 6.129 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 22245863 RLDIOLTWSGNHCJ-UHFFFAOYSA-N 429.826 6.259 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCC(=O)NC2CCCCC2)nn1 23997120 QOODDKCNROUGLZ-UHFFFAOYSA-N 442.585 5.256 0 40 IKAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1cccc(Cl)c1Cl 24752049 RTRKMDKCBMVUOA-UHFFFAOYSA-N 448.375 5.249 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)N1CCC[C@@H]1c1cccnc1 24767577 BVRJCSCGDNGXBP-CHHLAKQQSA-N 426.545 5.373 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)N[C@H](c1ccccc1)c1cc2ccccc2o1 24877826 KQTWBLGDIWTCPJ-XMMPIXPASA-N 425.513 5.400 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)CCOc1ccccc1-c1ccccc1 25078497 RCMNHBCOOZTGET-UHFFFAOYSA-N 425.532 5.026 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)N2CCCCCC2)oc2ccc(F)cc12 27581943 QFICAYOSCHINED-NRFANRHFSA-N 428.935 5.881 0 40 IKAB Cc1ccc(C(C)C)c(OC[C@@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c1 28296618 WOJZNKVQDJNJIF-DEOSSOPVSA-N 426.560 6.089 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nc(-c2ccccc2)c2ccccc2c1=O 32741481 PWIJASYAUYPUNJ-UHFFFAOYSA-N 439.559 5.949 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352249 MYBLUZCEHSODIU-RDGATRHJSA-N 434.923 5.990 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 39519590 BUEGFNKQFJKTRH-QRQCRPRQSA-N 439.581 5.396 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccccc2Cl)CC1 39757297 ZDZGTGXLOXBQRZ-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB CC(C)c1nnc(NC(=O)c2cccnc2Oc2ccc(F)cc2Br)s1 58377950 ANVAVRPGOHBVDN-UHFFFAOYSA-N 437.294 5.003 0 40 IKAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 59478019 FLZPSLFMJYBBHL-SJORKVTESA-N 444.553 5.557 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4Cl)nccn3n2)cc1C 67289988 PFVSCHVJYUYFBV-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB Cn1cc(CCC(=O)NCc2ccc([C@H]3CCCN3C3CCCCC3)nc2)c2ccccc21 72355725 FSLNXRHNMZLQBR-HHHXNRCGSA-N 444.623 5.292 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CNc1ccc(F)cc1 83316280 WYVDHRBZNLQBEH-HMAPJEAMSA-N 434.492 5.511 0 40 IKAB Brc1cc2c(c3ccccc13)-c1ccccc1C2(c1ccccc1)c1ccccc1 98190750 ZVLSVUVAESNUBY-UHFFFAOYSA-N 447.375 7.965 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 101012093 LIEWMCGEEMYSGL-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB CC(C)c1ccc(C2=C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 101071641 UAKROZGRBNIJIQ-XMMPIXPASA-N 444.376 6.978 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)C1 101339702 SGHSSVQTCJZYGH-GYCJOSAFSA-N 445.390 6.287 0 40 IKAB CCn1c(SCc2ccccc2Cl)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 108188839 KGNVXVXSVPTSNU-ZDUSSCGKSA-N 435.380 5.388 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 222442525 KQYDZVODORRFSJ-HSZRJFAPSA-N 445.003 5.139 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 223305220 VKUNQCGDHFYRQE-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2cccc(Br)c2)cc1C(C)C 223373550 NFIMQYMUPMIWAL-HNNXBMFYSA-N 440.403 5.070 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)c(C)c1 223959075 YXQHLNNZVXROLI-DEOSSOPVSA-N 436.577 5.294 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 224073440 YVNKNCOTWFTGOA-LJQANCHMSA-N 440.603 5.388 0 40 IKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1ccccc1C 224105185 PLVFUTUGXGUMCF-UHFFFAOYSA-N 437.539 6.102 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 224282036 ZZIBWANHHDMOOE-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224347403 BUXVXPKHODDDFH-RPBOFIJWSA-N 425.557 6.081 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224350452 ICSNNXVXUYSFEK-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cn1 224443653 CVABTFNWTLGMBI-FCHUYYIVSA-N 449.942 5.237 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1COCC(C)C 224454476 ZYZPIHXPQYUXGZ-UHFFFAOYSA-N 439.939 6.566 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(Cl)cc1 224679036 RULVJBFEVHNQKI-UHFFFAOYSA-N 444.021 7.005 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224753688 HKPBZHONVXXYBU-QHCPKHFHSA-N 448.651 5.917 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224846614 WCIAESJHDCKPFC-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1Cl 225304119 GRLCWOFHOGAOFS-UYRXBGFRSA-N 426.925 5.128 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCc3ccc(F)cc3)c2)cc1 225548176 RJMHOGHORWJPHE-UHFFFAOYSA-N 448.607 6.273 0 40 IKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225569876 PRGBBVPYGZMPOU-UHFFFAOYSA-N 439.625 5.019 0 40 IKAB O=C(O)/C=C/c1ccc(OCc2cccc3ccccc23)c(I)c1 226334938 OXBJTHBDJSELCN-PKNBQFBNSA-N 430.241 5.121 0 40 IKAB Cc1cc(OC(=O)[C@H](C)OCC(=O)Oc2ccc(C)c(Cl)c2C)cc(C)c1Cl 248341418 YXCOLLPRENZIRQ-HNNXBMFYSA-N 425.308 5.143 0 40 IKAB O=C1CS[C@H](c2ccccc2OCc2cccc3ccccc23)N1c1ccc(Cl)cc1 408555415 FXQRTQMBYUDABG-AREMUKBSSA-N 445.971 6.851 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(C)ccc3C)n2)cc1 408695421 QNCZOHVWJULNHF-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OC(C)C 408902962 SSTUQBKQWIOIKX-VCHYOVAHSA-N 448.338 5.486 0 40 IKAB CN(C(=O)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)c1ccccc1 408979395 QIDHAQZMTPAVOB-UHFFFAOYSA-N 427.554 6.363 0 40 IKAB Cc1cccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1C 409023077 HTHOZVYEERILBO-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c1C 409410481 XMESGAHEUNYFGM-UHFFFAOYSA-N 434.989 5.210 0 40 IKAB COc1cc(OC)c([C@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Br 818963 UVTZSZQVGLJCLC-NRFANRHFSA-N 439.309 5.237 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)cc1Br 1000547 QRNRZVUOLJEVCK-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB CCOC(=O)c1c(C)n(C(C)C)c2ccc(OC(=O)c3ccccc3Br)cc12 1244142 HROQDCPLVAMJEV-UHFFFAOYSA-N 444.325 5.689 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(F)cc1 1320621 YCHPHUNOFJBUBR-QHCPKHFHSA-N 444.289 5.140 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 2084710 LDHUOWICCAGBSE-KRWDZBQOSA-N 426.626 5.938 0 40 IKAB CCC(=O)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)c(Cl)c4)cn13)CCCC2 2448801 NVBZUWURANPDHI-UHFFFAOYSA-N 437.370 7.311 0 40 IKAB Cc1cc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(C)n1C[C@H]1CCCO1 2633878 WDVSYJVSENPBBU-OAHLLOKOSA-N 449.931 5.331 0 40 IKAB CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 2737440 QLMGNGJHQVFEHU-QGZVFWFLSA-N 433.573 5.820 0 40 IKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccc(Cl)cc1C 2889785 JLWHICMQSQYHEQ-UHFFFAOYSA-N 443.952 5.798 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O 3052044 PVJVDAUQHCLIQB-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB Cc1ccc(Sc2c(COC(=O)Nc3ccccc3)c(-c3ccccc3)nn2C)cc1 3135102 GKOFTFTXZMMMKY-UHFFFAOYSA-N 429.545 6.295 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Oc3ccc(C(=O)Nc4cccc(C)c4)cc3)cc2)c1 3146007 QQOLSKDRKYEHJI-UHFFFAOYSA-N 436.511 6.600 0 40 IKAB CCCCCCc1cc2cc(-c3csc(-c4ccccc4)n3)c(=O)oc2cc1OC(C)=O 3177548 WHDCSZBNSSKWTA-UHFFFAOYSA-N 447.556 6.632 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2c(C)cccc2NC(=O)c2ccc(Cl)cc2)cc1 3265240 YOGZWGRQBAJXOG-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCCN(CCCC)Cc1ccc(N[C@@H](C(=O)c2ccccc2)c2ccccc2)cc1 4522651 KNPOFJDSJYNYMD-MUUNZHRXSA-N 428.620 7.125 0 40 IKAB O=C(CCC1CCCCC1)Nc1ccc(C(=O)O)cc1NC(=O)CCC1CCCCC1 4649191 CZSYNOZCOCIWTP-UHFFFAOYSA-N 428.573 5.983 0 40 IKAB C[C@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 4946195 UTXNYGUZJLLOSP-DFCMMDRTSA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro O=[S@]1c2ccccc2N=C(c2cccc3ccccc23)C[C@H]1c1cccc2ccccc12 5722289 XEQHCUIOXUKJOJ-BHDXBOSCSA-N 431.560 7.366 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2F)c1C 6599491 JBMLWMGFFKTRJN-UHFFFAOYSA-N 444.459 5.016 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(F)cc3)c2c1 6844244 ULJMSOLDHUEHCT-UHFFFAOYSA-N 435.499 5.868 0 40 IKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1CC1CCCCC1)CCCC3 8396279 PQEKDVUAHPIPJY-UHFFFAOYSA-N 438.662 6.252 0 40 IKAB Cc1ccc2nc(-c3ccc(N(Cc4cccnc4)C(=O)c4ccccc4)cc3)sc2c1 8443050 ZYQJCGQFWIVHIV-UHFFFAOYSA-N 435.552 6.514 0 40 IKAB CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 8612882 IKORWCQXIZAGAD-QFIPXVFZSA-N 431.513 5.470 0 40 IKAB C[C@H](C(=O)Nc1ccccc1Cl)n1cnc2scc(-c3ccc(F)cc3)c2c1=O 8717816 CCQUTYMYCUNAEM-GFCCVEGCSA-N 427.888 5.117 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@H](C)c1ccccc1 8762576 IEIBAPNQGPRFSL-BRMLWKLGSA-N 441.656 6.297 0 40 IKAB biogenic CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12 8762671 TUHMQGIZQOMMHO-XAYXJRQQSA-N 429.516 6.370 0 40 IKAB biogenic Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 8892273 HLYDHNXXNZTLMP-DHIUTWEWSA-N 447.325 5.798 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 9037275 FSYFOBDDJXZSML-UHFFFAOYSA-N 448.588 5.262 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2cc(=O)oc3ccc(C(C)C)cc23)oc2ccccc12 9135029 AETJCKMIIUKKNF-UHFFFAOYSA-N 437.495 6.890 0 40 IKAB biogenic Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 9250050 FDXPHGRBRDHGNM-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB CC(=O)Nc1nc(CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)cs1 9253230 CCTLGJNCMGGNSP-UHFFFAOYSA-N 433.990 5.421 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1CCCC[C@H]1c1nc2ccccc2s1 9313600 ABFGXNKCJWFEBA-INIZCTEOSA-N 425.604 5.752 0 40 IKAB CCc1ccc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 9394428 BVSMOTRUUOPHJB-UHFFFAOYSA-N 428.601 6.600 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)cc1OC 9518439 GPEOIFGUBWPLIS-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 9634728 HVDMZGAPKQAJCP-UHFFFAOYSA-N 442.540 5.431 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C(C)C)cc1 9664074 VBWPHFMWLRNANW-UHFFFAOYSA-N 432.549 5.419 0 40 IKAB CCn1c(S[C@H](C(=O)N(C)C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9684661 LVBQCQVMJHDCAD-KRWDZBQOSA-N 435.380 5.193 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-n2cccc2)c1C 9707887 HDJLUEWOXUYQSR-UHFFFAOYSA-N 437.956 5.059 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(Cn4cccn4)cc3)ccc2OC(F)F)cc1 9709682 CFFOGIWMSGTOGZ-UHFFFAOYSA-N 449.457 5.461 0 40 IKAB Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 9730922 CZMZDPNMABJPEX-XMMPIXPASA-N 429.476 5.230 0 40 IKAB Cc1c(Nc2ncnc3cc(-c4ccc(F)cc4)sc23)c(=O)n(-c2ccccc2)n1C 9741299 JUEJSJZBORQMFG-UHFFFAOYSA-N 431.496 5.039 0 40 IKAB Cc1ccc(C)c(-c2nn([C@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c1 9949229 AIVCHPCSCIOXEN-LJQANCHMSA-N 437.543 5.369 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(C)c(C)c4)cc3)nc2c1 10119701 FACZYRYRFSQXTB-UHFFFAOYSA-N 449.348 6.689 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)/C=C/c4ccco4)cc3)nc2c1 10119787 NASVOKRZTRNAOB-MDZDMXLPSA-N 437.293 6.065 0 40 IKAB O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCC(Cc2ccccc2)CC1 12389043 BBSBFKWWJHBYNY-NRFANRHFSA-N 427.342 5.011 0 40 IKAB Cc1cc(C)c2c(NC(=O)c3ccc(F)cc3)c(C(=O)N(C)c3ccccc3)sc2n1 12446498 JNFFRZXVSPFHNZ-UHFFFAOYSA-N 433.508 5.581 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1cccc2ccccc12 12676749 UECLVKMRYWGWRV-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 12875656 JZACURQQNGPEQX-SNVBAGLBSA-N 442.299 5.386 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)N(c4ccccc4C)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12876874 PZGMZQFZHJRMHT-ZTOMLWHTSA-N 449.554 5.868 0 40 IKAB biogenic COCCCn1c(-c2ccccc2Cl)nn(CN2CCc3sccc3[C@H]2C)c1=S 12910567 JJPRQQDQWRYVGQ-OAHLLOKOSA-N 449.045 5.409 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc2ccccc2cc1Cc1ccccc1 13502682 JYAYSRJAZGZOAJ-UHFFFAOYSA-N 428.557 5.955 0 40 IKAB COc1ccc(-c2nc(-c3ccc(OC)c(C)c3OC)[nH]c2-c2ccc(OC)cc2)cc1 13618059 YKSFWCUCEFDPJA-UHFFFAOYSA-N 430.504 5.754 0 40 IKAB COc1ccccc1NC(=O)CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 14153146 KVZMHLRRPLIACC-UHFFFAOYSA-N 443.739 5.239 0 40 IKAB Cc1ccc(/C=C/c2nn(CN3CCc4sccc4[C@H]3c3cccs3)c(=S)[nH]2)o1 14189841 LRNCJQBHCQVELE-YJJPMGAVSA-N 440.619 5.741 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc2c(Cl)cccc12 14272563 IFHYIRCRHLCFDH-UHFFFAOYSA-N 448.909 7.707 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)c(Br)c1 14649617 RVFJWGAFGPXIGK-UHFFFAOYSA-N 431.157 6.071 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 16039400 BHOCTWYDPRAXIO-KBXCAEBGSA-N 448.589 5.029 0 40 IKAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2nc(-c3cccs3)cs2)n1 17012060 HXYKOXVTLFHHSW-UHFFFAOYSA-N 435.361 5.925 0 40 IKAB CC(C)CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19446641 NLOUZHBDVCTNBO-WZONZLPQSA-N 434.411 5.504 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)c(C)c1 19630251 CGPIIQKUKHYWLU-NTCAYCPXSA-N 439.563 5.535 0 40 IKAB CCOc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 19632910 VPGHLTBJIUYGLP-ACCUITESSA-N 440.952 5.834 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NC2CCCC2)C1 19648067 UPUALZKGMPGJQD-HNNXBMFYSA-N 448.629 5.155 0 40 IKAB Cc1ccc2[nH]c(C)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(=O)c2c1 19793701 UJULZEYTCKBMMF-UHFFFAOYSA-N 437.587 5.052 0 40 IKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccc(F)cc1)CO3 19882497 UHOPNJHVKNPIGY-UHFFFAOYSA-N 435.882 5.647 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Br)cc3)=NC23CCCC3)cc1 20152247 CUTOWANIEXXPCN-UHFFFAOYSA-N 427.367 5.300 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3C)c2)cc1 20454356 LMLVHRGGPBXQHO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21305938 RYEWKJIENGJAMQ-IZZDOVSWSA-N 447.343 5.446 0 40 IKAB Cc1ccc(-c2nsc(NC(=O)c3oc4cc(Br)ccc4c3C)n2)s1 21806069 RUTFBMLDJFEHJK-UHFFFAOYSA-N 434.340 5.644 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccc(F)cc2)c1)c1ccc(Cl)cc1 22749867 JXCUJAQFOMGOEZ-QHCPKHFHSA-N 449.913 5.311 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C)cc1)CC2 24924039 FRHRICKQKHAGBQ-BXKMTCNYSA-N 437.561 5.015 0 40 IKAB COc1ccccc1-c1cc(CSc2nc3ccccc3c(=O)n2-c2ccccc2)on1 26249053 MUSKLLAOMVFBGU-UHFFFAOYSA-N 441.512 5.342 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2cc(C)cc(C)c2)c2c[nH]c3ccccc23)cc1 27746334 IGMWCLIBZSDCJI-XMMPIXPASA-N 428.532 5.120 0 40 IKAB CCc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 29429430 WDPQPEZKAOCENX-KNQAVFIVSA-N 438.618 5.130 0 40 IKAB COc1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Br 32126322 YWAZXVYHTPTVFP-UHFFFAOYSA-N 432.126 5.627 0 40 IKAB CCN1CCN(c2ccc(NC(=O)[C@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 32719530 GHHCZWFTQZUXDX-HXUWFJFHSA-N 431.580 5.041 0 40 IKAB CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2OC(F)(F)F)cc1 32752701 CMCJYJVRLSTPRE-UHFFFAOYSA-N 436.459 5.020 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1 33712503 KWMGKVOVQJOMRP-CYBMUJFWSA-N 435.380 5.388 0 40 IKAB C[C@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 35944091 YXOHRYLHCVUPMD-YHDSQAASSA-N 442.648 6.359 0 40 IKAB Cc1ccccc1C(=O)N[C@H](C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C(C)C 40040608 SDLZSMVNBZCANG-QHCPKHFHSA-N 444.535 5.032 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 44912122 AXPBWCJFCHLKPE-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005308 WYHZCNJCFVXTIE-HNNXBMFYSA-N 439.357 5.459 0 40 IKAB Cc1cc(Cl)cc(Cl)c1CNC(=O)[C@H](c1ccccc1)c1cc(Cl)ccc1O 59474668 PPPCMJDZSQECNH-OAQYLSRUSA-N 434.750 6.109 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccccc1 59502970 DARMBGUBIRAXPL-LDADJPATSA-N 426.291 5.950 0 40 IKAB CCOC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)cc1 67296959 LSJAMYXUCAKBPN-RFBIWTDZSA-N 426.472 5.403 0 40 IKAB Cc1cccc(Oc2ncccc2NC(=O)CCn2c(=O)oc3cc(Cl)ccc32)c1C 71184901 DQHXOUNJCNDIFZ-UHFFFAOYSA-N 437.883 5.081 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc(C)c1Cl 72230060 CDNNDIINYDSCSF-QHCPKHFHSA-N 430.331 5.709 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102640705 YSZKCWIBVNWOTP-MXBUBSDBSA-N 428.576 6.244 0 40 IKAB Cc1ccc(NC(=O)C(=O)CC(=O)c2sc(Nc3c(C)cccc3C)nc2C)cc1C 102945357 GNZGKAVVRMTPNA-UHFFFAOYSA-N 435.549 5.209 0 40 IKAB CCCSc1nsc(NC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 103117960 IRRDMXUFVMKYER-TWVWUCKLSA-N 427.639 5.825 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1 210198230 XSAMJLDUMFZPQU-LPYMAVHISA-N 435.932 6.468 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220686971 ARZGBVAWJDRSGT-QGZVFWFLSA-N 443.396 5.102 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 222567406 PAJDMPUJJMXMAQ-QPPBQGQZSA-N 440.653 5.242 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)cc2Cl)c1 222725091 CKRGOJLVNVPORM-UHFFFAOYSA-N 426.409 5.763 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 222734834 BUNVGRSKFNSHLK-QFIPXVFZSA-N 449.422 5.566 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222896636 CGPWZUWXKCGGMK-PMACEKPBSA-N 441.940 5.076 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223396112 HFENIQGSSNTFSO-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224018110 PRXFLNRXWXLWBK-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1Cl 224161425 RYVCKAGHSKMRCG-UHFFFAOYSA-N 441.980 5.628 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc2ccccc12 224301670 JJAYMAJYTUCKAY-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB COc1cc2c(cc1S(=O)(=O)Nc1ccc(CSc3ccccc3)cc1)CCCC2 224396957 LYGPZOKCVIZXLG-UHFFFAOYSA-N 439.602 5.667 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCCC2)cc1 224678343 NYDIUWOXZAFCJN-NRFANRHFSA-N 438.637 5.262 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225167428 BDOKRGSYZFRRAE-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225316186 VNFPTYAZYZKSAB-SJORKVTESA-N 435.395 5.258 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(F)cc2Cl)n1C1CC1 252550409 SONTWWISSGQRLG-UHFFFAOYSA-N 425.916 5.811 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257212607 CEEWAAJSTYUZRJ-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)c1ccc(C)cc1 408557904 ORQJJOUROSPWTI-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 408599768 KPNYDZYFVXYHGJ-AWEZNQCLSA-N 449.613 5.946 0 40 IKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408638934 DPZVQDFGTJRDLB-NRFANRHFSA-N 428.532 5.650 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1C 409012941 JHDRKMAQDLPTTN-UHFFFAOYSA-N 439.581 5.416 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)cc1C 409116478 LZTIDTIEEXZBAR-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c(C)c1 409124741 BPNMNKBSALWKFF-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c(C)c1 409409567 IDDUVAKCTOEMQM-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Br)cc1F 409411705 KGKQEGCWTXVBKG-UHFFFAOYSA-N 433.140 5.223 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3cc(C)cc(C)c3OC(C)(C)[C@H]2C[C@H]1C(=O)O 585264842 QKVAUXVGSYQMFA-IQKBUIRBSA-N 438.564 5.653 0 40 IKAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1cc(Br)ccc1Cl 1775979052 YRLBJVCYKCJGGK-KRWDZBQOSA-N 436.758 5.294 0 40 IKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC(F)F)c(OC)c1 652764 RNLYRMXUYFWWPD-UHFFFAOYSA-N 433.432 5.064 0 40 IKAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)N(C1CCCCC1)C1CCCCC1 875949 ASAIRJBWQFMWNF-UHFFFAOYSA-N 447.576 5.374 0 40 IKAB O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 1099438 IFNCQBCYAPLIPC-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB Cc1cccc(-c2cc3nc4c(c(N5CCN(c6ccccc6F)CC5)n3n2)CCCC4)c1 1341573 MFAZLOIZLKGSCY-UHFFFAOYSA-N 441.554 5.049 0 40 IKAB COc1cc([C@H](CC(=O)c2ccc(Cl)cc2)Sc2ccccc2)cc(OC)c1OC 1798818 KUTRVUAVMKNPRG-QHCPKHFHSA-N 442.964 6.472 0 40 IKAB CCOc1ccc2nc(SCC(=O)N3c4ccc(C)cc4[C@@H](C)CC3(C)C)sc2c1 1814787 RFQOYSCQNUZIDH-INIZCTEOSA-N 440.634 6.415 0 40 IKAB Cc1ccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 1822607 BNCPQXHBEGJYDK-UHFFFAOYSA-N 446.978 6.583 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c(C)c1 1862471 CSJSKPZCGBXWSV-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB O=c1c(-c2ccccc2Cl)c(C(F)(F)F)oc2cc(OCc3ccccc3)ccc12 1932319 IXMNGOXRTMHAEV-UHFFFAOYSA-N 430.809 6.711 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 2025850 QWEHNOJLQPUNAB-UHFFFAOYSA-N 440.568 6.591 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)Nc1cccc2ccccc12 2074092 UOARIYBXLWUIAP-UHFFFAOYSA-N 439.515 6.320 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(Cl)cc2)CO4)cc1 2118913 KUORXVZDAKCJIC-UHFFFAOYSA-N 433.891 5.787 0 40 IKAB biogenic Cc1cccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccc(Cl)cc2)c1 2128511 GPWWRDIZMQSAOR-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2207961 PTCNRTODXWZDHC-AWEZNQCLSA-N 432.373 5.891 0 40 IKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2221574 ISOBIOLLZUUAHD-CQSZACIVSA-N 440.421 5.970 0 40 IKAB O=C(c1ccccc1)c1ccc(C(=O)n2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 3206809 ANCLAVRMFSJCDX-UHFFFAOYSA-N 428.447 5.167 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ccccc2OC(F)F)s1 3290767 QWQMEHJQDCNDLL-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c1 3341179 GMXPDTZDKRMBKW-UHFFFAOYSA-N 428.311 5.086 0 40 IKAB Cc1cc(C)c(NC(=O)COc2ccc3c(=O)c(-c4ccccc4)coc3c2C)c(C)c1 3411464 YIGPPGKRNBDWCN-UHFFFAOYSA-N 427.500 5.711 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)c1 3655604 BOZZUFXJVIYEFN-LJQANCHMSA-N 441.527 6.502 0 40 IKAB O=C1CC2(CCN(C(=O)CC(c3ccccc3)c3ccccc3)CC2)Oc2ccccc21 4505631 HAYDOJZFPBILFU-UHFFFAOYSA-N 425.528 5.235 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)c4ccc(F)cc4)sc3n2)cc1 6246452 KOUITNAVQTYHHJ-UHFFFAOYSA-N 438.527 6.891 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 6753179 QPPAFBHJXCLXQL-OAQYLSRUSA-N 425.532 5.312 0 40 IKAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)NCc1ccc(F)cc1 8442758 KPWSPYNABSJAMO-UHFFFAOYSA-N 439.434 5.083 0 40 IKAB CCCCCCOC(=O)[C@@H](CCCC)P(=O)(OCCCCCC)OCCCCCC 8613486 BMEMCUBESWSWAB-HSZRJFAPSA-N 448.625 8.056 0 40 IKAB Cc1c(CCC(=O)NCc2ccco2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8791529 WZCRKCBBQQCCSD-UHFFFAOYSA-N 427.456 5.357 0 40 IKAB biogenic CC(=O)N(c1ccc(C)c(C)c1)c1nc(COC(=O)c2ccccc2C(F)(F)F)cs1 8825934 PRSMBYYPZWKMBV-UHFFFAOYSA-N 448.466 5.820 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc2c(Cl)cccc12 8831806 GOOMEDDLIGZUIJ-UHFFFAOYSA-N 444.943 7.031 0 40 IKAB Clc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 9057712 PREKDTJSKUFLIB-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2ccccc2)cc1 9210111 ATMZUZQDIUEGFS-QHCPKHFHSA-N 426.479 6.230 0 40 IKAB Cc1cc(C)c(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c(C)c1 9250415 MLJKGGBSQYFLBR-UHFFFAOYSA-N 448.588 5.550 0 40 IKAB COc1ccccc1-n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 9670916 NBMJKVFIZQOTSV-UHFFFAOYSA-N 446.532 5.107 0 40 IKAB CCOc1ccc(-n2c(SCc3cc(=O)n4cc(C)ccc4n3)nc3ccccc32)cc1 9964021 FTEDFRJPZHMCQA-UHFFFAOYSA-N 442.544 5.033 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1 10112463 FPUDJABSIRBANO-LJQANCHMSA-N 434.561 5.004 0 40 IKAB COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1Cl 10314956 CKFWYFHEYUFZEV-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1 10325235 XFKJOSURROOXGA-SFHVURJKSA-N 434.561 5.202 0 40 IKAB O=C(Nc1ccccc1)c1ccc(COC(=O)c2ncc(Cl)c(Cl)c2Cl)cc1 10497976 LSBAHPAXWLIDRE-UHFFFAOYSA-N 435.694 5.651 0 40 IKAB O=S(=O)(Nc1cccc2ccccc12)c1cc(Br)ccc1Br 11635206 MEYSSLYOTIHQHQ-UHFFFAOYSA-N 441.144 5.166 0 40 IKAB O=C(CN1CCc2sccc2[C@@H]1c1cccs1)Nc1ccc(N2CCCCC2)cc1 12686927 GBRRELZCMLQOLO-XMMPIXPASA-N 437.634 5.386 0 40 IKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 12993205 JUYOEODXTMRKTE-KPKJPENVSA-N 437.293 5.170 0 40 IKAB Cc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026882 CVQHFTXWJWPNQH-VWLOTQADSA-N 430.548 5.339 0 40 IKAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1cccc(OCc2ccccc2)c1 13527296 WOZQLYVPQTVXOS-CPNJWEJPSA-N 448.444 5.939 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)c2ccccc21 14360603 NTXKHASIDPVCCF-QFIPXVFZSA-N 430.331 5.638 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(C)c(C)c1 15412872 NTQQJQGKHYHDMR-SIHJWBFKSA-N 438.571 5.772 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 15946361 YOQMTSMSLAIEBI-QHCPKHFHSA-N 433.577 5.523 0 40 IKAB CCc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)OCc2ccc(Br)cc2)cc1 16161692 YQMIAIPNCRTRQC-SFTDATJTSA-N 444.369 5.500 0 40 IKAB S=C(NCCCCNC(=S)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 16210884 GQTVHLLUJRGGBO-UHFFFAOYSA-N 427.426 5.047 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c(C)c1 16285021 CMTWUMWXIMPNLL-UHFFFAOYSA-N 436.515 5.516 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 16751997 QBVIEUQWTDPBAX-DEOSSOPVSA-N 449.547 5.572 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 16789499 UTTOHYZRNVKTFZ-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCC2)c(Cl)c1 17095315 AALKQBSNCYCDIP-FMIVXFBMSA-N 427.331 6.506 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3cccc4ccccc34)c2C(N)=O)C1 17100643 AEUIOMIFLBHSBH-MRXNPFEDSA-N 436.577 5.169 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(Cl)c4)cc3n2)cc1 17103164 QGCCYIMNEKAESR-UHFFFAOYSA-N 439.346 6.322 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCCCCC[C@@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 17248553 VCDXHZUBOZUMDL-OTLGMJNYSA-N 442.559 5.907 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2[nH]1 18193703 QYUIBNQVVDSQOO-UHFFFAOYSA-N 442.371 6.409 0 40 IKAB Cc1cc2c(s1)c1cnn(CCN(C(C)C)C(C)C)c(=O)c1n2Cc1ccc(F)cc1 19126011 DAQQVMZZQFCFCJ-UHFFFAOYSA-N 440.588 5.027 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@H](C)O4)c2)cc1 19690661 GHSOSVZEPXRKMO-SIBVEZHUSA-N 442.559 5.295 0 40 IKAB N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccccc1Cl 19706899 BMMGOCNWJXRCPV-UHFFFAOYSA-N 444.749 5.814 0 40 IKAB Nc1cc(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)ccc1Cl 23514555 VPIRVTGNTNUVKV-UHFFFAOYSA-N 442.513 5.331 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(-c3ccccc3)o2)sc2c1CCCC2 28527514 HCOUUJROLYNIQW-UHFFFAOYSA-N 441.574 5.794 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1ccccc1Cl)N1CCCC1 32841402 MXWQIQAJGINEMD-IBGZPJMESA-N 432.014 5.021 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1N=C(c2ccco2)C[C@H]1c1cccs1 32856374 HIHKRHMASAGZOP-HNNXBMFYSA-N 425.560 5.421 0 40 IKAB O=c1c2ccccc2n2c(=S)sc(-c3cccc(F)c3)c2n1Cc1cccc(F)c1 32975149 RKVUVJDVZGMZFM-UHFFFAOYSA-N 436.508 6.039 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 33524448 KYGJPVUUHNIOTE-UHFFFAOYSA-N 449.309 5.771 0 40 IKAB CC(C)(C)c1ccc(Oc2ncccc2C(=O)N2CCN(Cc3ccccc3)CC2)cc1 35225634 WRSBPINNJXXVQS-UHFFFAOYSA-N 429.564 5.129 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@@]21C 36371656 WOECLDQDCSEWTG-AZUOSWQVSA-N 428.661 6.344 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)cc1 39556208 SQYFEIZSLHCHMZ-YDZHTSKRSA-N 441.918 5.749 0 40 IKAB CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)cc1 49421913 HHMVDICIVXJBDA-UHFFFAOYSA-N 442.494 5.138 0 40 IKAB FC(F)(F)c1cccc(-c2c[nH]c([C@@H]3CCCN3Cc3nnc(-c4ccccc4)o3)n2)c1 72308658 MOYWHGCJXNCYBS-IBGZPJMESA-N 439.441 5.483 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356088 WZVSOTZBQCZIAD-OAQYLSRUSA-N 439.481 5.414 0 40 IKAB CC(C)n1cnc2c(-c3ccccc3)nc(C3CCN(C(=O)c4cccnc4)CC3)cc21 96155641 PQVJVURTXGEPNA-UHFFFAOYSA-N 425.536 5.094 0 40 IKAB COc1ccc(C(=O)c2coc3ccc(OCc4ccc(Cl)c(Cl)c4)cc23)cc1 96184104 LUKUVAUMXOAZND-UHFFFAOYSA-N 427.283 6.558 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1 98072960 AHLNQJSPFVPXCK-UHFFFAOYSA-N 436.293 5.611 0 40 IKAB COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1OC 102725787 UXSDIDRCXAHRPZ-NYHFZMIOSA-N 432.476 5.314 0 40 IKAB C[C@@H]1[C@@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)CCC[C@H]1C 103141679 HASBTLLFIJYYAW-CZSZKKDXSA-N 436.596 5.358 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 214859403 QTKZDNXDPSUNEB-VCHYOVAHSA-N 438.332 5.637 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222901991 JXQNUTLMXFVIRB-JOCHJYFZSA-N 447.044 5.197 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223258787 LEUZAGHZIDGWTL-HSZRJFAPSA-N 438.612 5.021 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C(C)C 223313920 LOLSPBTZUAUCJQ-FQEVSTJZSA-N 433.617 6.910 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224003899 ICAFDSDKFBKCNH-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224258914 CRZISYVUKLZHRK-AREMUKBSSA-N 442.603 5.092 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1 224565465 ABLOSIBTCCLUTE-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225346553 PMTIAJDYMNITIV-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225567043 CNPBSBOLROIEIN-LJQANCHMSA-N 443.031 5.512 0 40 IKAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 226769314 TUXLCSOSMPHFDF-UHFFFAOYSA-N 428.257 5.292 0 40 IKAB CCn1cc(CN2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)c2cc(OC)ccc21 257290412 QCVQANAKEHEMQS-DEOSSOPVSA-N 442.567 5.244 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cnc3ccccc3c2)C1 257304850 SNJVWPISTNJIJU-QHCPKHFHSA-N 436.555 5.084 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4ccccc4Cl)o3)C2)s1 257320197 VVSJRONKOKGEDL-INIZCTEOSA-N 444.988 5.135 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCc3ccccc3C2)cc1 408575205 HGVPUPDFDQXTQT-UHFFFAOYSA-N 444.884 6.169 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 408601146 ITPOHOBYNLQCRR-LDADJPATSA-N 432.339 5.474 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1ccccc1 408609796 OUJKGCMPGIRNCP-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408641729 MIUXICINRHYTCN-LJQANCHMSA-N 430.504 5.178 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 408706298 ZLUBVQSZBPPLET-AWEZNQCLSA-N 446.827 6.081 0 40 IKAB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccccc1Cl 408721023 CNBFKYSDWXFDJZ-UWXQAFAOSA-N 431.919 5.733 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O 409072211 MNPCBSMYNICSOF-WOJGMQOQSA-N 432.339 5.393 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409109404 DEDWHWKQSXONKH-SXGWCWSVSA-N 430.718 6.719 0 40 IKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 409177032 BFIXPRPELVCRMS-KMKPNOTNSA-N 426.925 5.270 0 40 IKAB COc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)cc1 409206318 UGNMWVBKRQTYFZ-XKZIYDEJSA-N 447.874 5.221 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(Cl)cc1Cl 684344 DXXGBLSGJNXZFQ-IBGZPJMESA-N 447.347 5.402 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1C)C1CCCCC1)c1nnnn12 1346572 ASUQUYSVHGIINU-UHFFFAOYSA-N 444.608 5.426 0 40 IKAB CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1C)C1CCCC1)c1nnnn12 1346579 LQVRQGLYUQFJIV-UHFFFAOYSA-N 444.608 5.290 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccncc2)nc1-c1ccc(Cl)c(Cl)c1 1402834 FODMRJLOVXRQGS-UHFFFAOYSA-N 442.327 5.345 0 40 IKAB O=C(Nc1ccccc1F)c1ccc(OC(=S)Nc2cccc(Br)c2)cc1 1421634 IUCHHHNXTMEGMB-UHFFFAOYSA-N 445.313 5.616 0 40 IKAB O=C(C=C(c1ccccc1)c1ccccc1)NC(=O)C=C(c1ccccc1)c1ccccc1 1724095 RLNQTKYBAZTZNR-UHFFFAOYSA-N 429.519 5.893 0 40 IKAB CCCCOc1ccc(-c2csc(NC(=O)c3ccccc3Br)n2)cc1 1791067 WDYAFLLEPQHTIM-UHFFFAOYSA-N 431.355 6.004 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1C 1863250 VJOCSEUJEWSBQO-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2059423 VFRXYCUCNMMITN-UHFFFAOYSA-N 440.273 7.455 0 40 IKAB Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1-c1ccc(Cl)cc1 2107724 PSWFDLRUKWBJCY-UHFFFAOYSA-N 448.371 6.848 0 40 IKAB CCCCOc1ccc(-c2nc(SCCC)c3c4c(sc3n2)COC(C)(C)C4)cc1 2215758 JEXOCKRXLIZWLL-UHFFFAOYSA-N 442.650 6.891 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)cc1 2221677 JBXMHKXQHDSCRB-UHFFFAOYSA-N 442.327 5.928 0 40 IKAB O=C(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 3128716 BRCVEGOHZULOPS-UHFFFAOYSA-N 432.202 5.665 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2cc(Cl)c(=O)n(Cc3cccc(Cl)c3)c2)cc1 3133831 LMVXJBBLXFJCAU-UHFFFAOYSA-N 429.347 5.753 0 40 IKAB O=P1(NNC(=S)Nc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205836 UIHWILKTRXDVOZ-UHFFFAOYSA-N 433.473 5.783 0 40 IKAB Brc1ccc(C/N=c2\ccccn2Cc2ccc(Br)cc2)cc1 4502117 MRWZKRIOVSVTFA-ZBJSNUHESA-N 432.159 5.162 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)c1C 6146579 HHCFGMJFNRYAQE-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB C=C/C(Cl)=C/C=C(\C)CC1(C/C(C)=C/C=C(\Cl)C=C)C(=O)OC(C)(C)OC1=O 6596782 ATLGRULQMAANRY-JMXCDXQWSA-N 425.352 6.099 0 40 IKAB C(=C1\CCCC2=C1O[C@@]1(N3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1)\c1ccccc1 8399489 XHZACPFETSQKJX-WMGZSYJVSA-N 439.643 7.694 0 40 IKAB COc1cc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc(OC)c1OC 8433118 DAJBAAQACVTYSQ-AFMDSPMNSA-N 431.557 6.243 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)cc1Cl)C(C)(C)N2 8659731 KUNSCJNGEYOGIK-NMWGTECJSA-N 437.417 7.075 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)cc1Cl 8756976 HAWUBCCCEDCQTK-UHFFFAOYSA-N 444.000 5.943 0 40 IKAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)Nc1cc(C(F)(F)F)ccc1Cl 8926547 OLYFMCMSKHMWKC-UHFFFAOYSA-N 425.760 5.092 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(NC(=O)Cc4ccc(Br)cc4)cc3)o2)cc1 9095027 KSSOTDYNRONIRJ-UHFFFAOYSA-N 448.320 5.656 0 40 IKAB O=C1c2ccccc2N[C@@H](c2csc(-c3ccc(Cl)cc3)n2)N1C[C@H]1CCCO1 9206968 AOPSAUVBHSHMCY-OXQOHEQNSA-N 425.941 5.209 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 9295709 IVVOWPYCRDQNJB-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1 9339416 OQJLTYVIAJRBSV-RUZDIDTESA-N 425.488 5.642 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9450915 GWRQYFZMQZNDOR-HSZRJFAPSA-N 444.487 5.245 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)o1)c1ccc(Cl)cc1Cl 9464527 JQKGTODLJHFVTC-WDEREUQCSA-N 440.327 5.541 0 40 IKAB CSCC[C@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1nnc2ccccn12 9530648 IOVZYJIHAQZKOP-KRWDZBQOSA-N 432.578 5.307 0 40 IKAB CC[C@H](c1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9549680 HZSUECFUYFCNED-OAQYLSRUSA-N 447.608 5.104 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)NC(c1ccccc1)c1ccccc1 9632608 KLYXQEHKVGPGPD-UHFFFAOYSA-N 446.601 5.148 0 40 IKAB CCOc1ccc(NCc2nn3cc(-c4ccc(OC)c(OC)c4)c4c3n2CCCC4)cc1 9715203 QGLGVPBOICIKOS-UHFFFAOYSA-N 446.551 5.167 0 40 IKAB Cc1ccsc1CN(C)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9747243 ZBXFEURRBGZHQR-UHFFFAOYSA-N 446.601 5.326 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 9804765 WODQXXLVCVXCEC-SFHVURJKSA-N 444.354 5.187 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)cc3)C2=O)c1 9851506 FIUVQGIQNYOYBO-HYARGMPZSA-N 434.948 5.893 0 40 IKAB Cc1ccccc1CC(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 12160785 WCKFLZIELMIGRP-SXLOBPIMSA-N 448.533 5.084 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 12590936 AIYFCLDSSHGCMF-GJZGRUSLSA-N 442.610 5.923 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3C)c2)cc1 12662750 SNKJTVLLBCEZDC-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic Cc1nc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 12692083 VNORAIWUKDIXSW-OLZOCXBDSA-N 429.586 5.376 0 40 IKAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1sc2cc(F)ccc2c1Cl 12805580 IUSUONSIFWCXMC-UHFFFAOYSA-N 431.920 5.120 0 40 IKAB CC1CCN([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 14515267 WQICALADWCGFAS-IBGZPJMESA-N 432.680 5.430 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2OC)cc1OC 14608030 UUDUIOSQEVIMBV-XMMPIXPASA-N 443.503 5.062 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 15947005 YDYBYAWKQWSGEH-JLHYYAGUSA-N 449.988 6.143 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)oc3ccccc34)o2)cc1Cl 16346748 NRDVXFIQMQKJIR-JLHYYAGUSA-N 427.887 7.460 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2c1 16348525 LIBBKHYIELZQNR-NTCAYCPXSA-N 434.495 7.024 0 40 IKAB CCc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3ccccc3)c2=S)cc1 16769075 VMQLGZUDAWTJKS-UHFFFAOYSA-N 444.560 5.183 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4cccc(C)c4)nc23)cc1 16846054 NTJWUMXPHOIVAV-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CC(C)c1ccc2c(c1)CC[C@H]1[C@]2(C)CCC[C@@]1(C)CNCc1cccc2ccccc12 16949673 JVRGEFPYXCXEQL-MJSOWUPRSA-N 425.660 7.763 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 17095615 CRFVLSBQDFDHQK-UHFFFAOYSA-N 427.751 5.018 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc(F)cc2s1 17098310 HTHYKIMPRAUWKS-XBXARRHUSA-N 433.291 6.654 0 40 IKAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18134515 ADWDCKSRSUXANJ-GOSISDBHSA-N 430.451 5.860 0 40 IKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 19349201 JYVAYTSSCYMZAR-PQNGQFLHSA-N 438.543 5.157 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373077 AOFOSOZXHKJOEF-IFMALSPDSA-N 439.563 5.345 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 20104815 JYOGPEXJDRXTSY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Br)cc2)cc1 20242055 TZOJPIBXLAKWPZ-UHFFFAOYSA-N 436.371 5.278 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1cccc(Cl)c1)C2 20634871 XQJJELVWPPQJMB-MRXNPFEDSA-N 429.911 5.346 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](C(=O)O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20677712 FOHYXUZZIWGCGD-HHHXNRCGSA-N 439.559 5.009 0 40 IKAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cc1 21209358 HQKMSQRGAPWFQF-UHFFFAOYSA-N 449.438 5.165 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(-c4cccnc4)o3)c3ccccc3)c[nH]c12 22149131 TVGJLYCPEANQMR-HSZRJFAPSA-N 440.528 5.892 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)CCCC(C)C)n1Cc1ccccc1 24988507 VLOQMTBFGQUEBU-SFHVURJKSA-N 440.613 5.318 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2cccc(C)c2)cc1Br 27917456 OGRCASUZJQEDRC-UHFFFAOYSA-N 449.736 5.308 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 37613817 DHPABJAAWYDUQJ-JPYYHWIRSA-N 427.931 5.973 0 40 IKAB COc1ccc(CN2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 55393852 CAVNPRICFDZDDE-UHFFFAOYSA-N 427.500 5.053 0 40 IKAB biogenic CN(Cc1ccccc1Cl)C(=O)c1oc2ccccc2c1CSc1nccn1C 58194437 NEBOFQVGNRCWSL-UHFFFAOYSA-N 425.941 5.384 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1cccs1 67259531 GEJGNCUPCLAOMO-UHFFFAOYSA-N 432.492 5.817 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(Cl)c1F 67294545 AWWBUWCQRZUFDG-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB COc1ccc(NC(=O)c2sc3ccccc3c2C[C@H]2CCCCCN2C(C)=O)cc1 72370819 YZANHQPEACQVSY-LJQANCHMSA-N 436.577 5.496 0 40 IKAB Cc1nc(-c2cccc(NC(=O)NCc3ccc(CN4CCC[C@H](C)C4)cc3)c2)oc1C 84061818 RFQHWHJURFGLCC-SFHVURJKSA-N 432.568 5.512 0 40 IKAB COc1cccc(NC(=O)NCc2cc(-c3cccs3)n(C3CCCC3)n2)c1OC 90607090 GAGKEQGURGMXLV-UHFFFAOYSA-N 426.542 5.066 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@H]3CCC[C@H]3C(=O)O)cc2)cc1 98088371 BOZRFEQDOFSZBV-XZOQPEGZSA-N 428.488 5.681 0 40 IKAB in-vitro Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@H]3C2=O)cc1C 100934281 DJOYRLBCLJOQFF-PFBJBMPXSA-N 448.522 5.508 0 40 IKAB CC1(C)CC2=Nc3ccccc3N[C@H](c3cc4c(cc3Br)OCO4)C2=C(O)C1 102531002 QDBSMXTXGZNFHG-OAQYLSRUSA-N 441.325 6.049 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)NCC1CCCCC1 104305990 ODGAQQDOYGXCIV-CYVLTUHYSA-N 444.531 5.168 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1OCC 106993447 RUNSNCWLYWESMS-UHFFFAOYSA-N 433.173 6.556 0 40 IKAB C[C@@H](CCC1=NC(C)(C)CO1)[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 118934407 BVDWBDNAWXKGOG-UWBBMOHNSA-N 445.688 5.601 0 40 IKAB CC(C)(C)OC(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)c(Cl)c2)C1 169467450 ULOLHCVDUNLORU-MRXNPFEDSA-N 431.360 5.522 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1ccccc1 208654508 QMSWFSDCAWDRSI-UCQKPKSFSA-N 428.488 6.070 0 40 IKAB Cc1cc(C)cc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 222572409 PXTRVMBXVLNHSU-FQEVSTJZSA-N 444.641 5.025 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222902916 SBPWVWNNUWVFNG-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223053381 RFRMYRMGUBNZFI-AREMUKBSSA-N 432.608 5.433 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223780612 VCPSFERNLCMHOO-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB Cc1ccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)cc1 223917611 MPEOERUMSKJQLG-UHFFFAOYSA-N 448.979 6.534 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223970581 CMXRFOSQRMXVAQ-DNQXCXABSA-N 447.608 5.216 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224049524 FHVHJGHYEXYVBQ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1Cl 224184800 FLGQOQSXUBZRHB-DNQXCXABSA-N 445.975 6.481 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224540416 GWXIYYOQSRBNMH-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(OC)cc1 224598516 BSQNQCDZRPQSIR-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 224628891 LPDQJTOROJPZCD-XMMPIXPASA-N 438.612 5.077 0 40 IKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 225287444 GIPAYBKQRUDDIO-AREMUKBSSA-N 444.600 5.212 0 40 IKAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225516608 ZSVBLGAMVWFCIJ-NRFANRHFSA-N 438.587 5.920 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCOCC1 225581704 DSUONVWULPQMAJ-UHFFFAOYSA-N 434.363 6.002 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 247513983 UZSFPFZYEGTFLC-UHFFFAOYSA-N 442.540 5.007 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)C1)C1(c2ccc(Cl)cc2)CCOCC1 257206937 BFNXIKYSDQZABE-FQEVSTJZSA-N 448.994 5.418 0 40 IKAB CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 257255054 KFXDQBAPHSUQDC-MRXNPFEDSA-N 439.560 5.099 0 40 IKAB Cc1cccc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C 260511775 SFUWSTGRQGTUQJ-HXUWFJFHSA-N 444.641 5.025 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408572221 FRFQBONXFBZDET-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)cc2OCC)C1=O 409060035 RQBLDNTUJJUHHD-YBEGLDIGSA-N 428.348 5.083 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1Cl 409112873 MCSAXNZJFBQNFT-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 409256119 NZCOUVKTOCRVCM-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 888573 KCHZHJSOEKREOL-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccnc1)Cc1cc2cccc(C)c2[nH]c1=O 894902 XDMLWAUVEJLYJK-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1C 907490 FXPGUWYRQHDBCB-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB O=C(COc1ccccc1)N(CCc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 932836 AZTBFELYVFQZJU-UHFFFAOYSA-N 432.520 5.604 0 40 IKAB COc1ccc2c(c1)c(Sc1ccccc1)c(CC(=O)Nc1cccc(Cl)c1)n2C 1026849 XFPFPTHJPHYIOM-UHFFFAOYSA-N 436.964 6.173 0 40 IKAB CC(C)c1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 1360693 PYZDENMKPGFKEU-UHFFFAOYSA-N 430.527 6.102 0 40 IKAB Cc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)c(Cl)c(C)c4)coc3c2)cc1 1775142 RSHNNAQAGSNRQI-UHFFFAOYSA-N 434.875 6.383 0 40 IKAB CC[C@@H](OC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12)C(=O)c1ccccc1 2079114 JCNFAIWGZRYARF-RUZDIDTESA-N 425.484 5.729 0 40 IKAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C 2138539 XQHGIEPSARXFNV-FTJBHMTQSA-N 433.523 6.510 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nc2ccccc2s1 2139042 IXWPJDIALJDUNS-UHFFFAOYSA-N 445.613 6.522 0 40 IKAB CCOc1cc2c(cc1OCC)[C@H](c1ccc(OC)cc1)N(c1ccc(OC)cc1)C(=O)C2 2156803 PXFIGWQJJVTBOX-MHZLTWQESA-N 447.531 5.180 0 40 IKAB biogenic O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)Nc1ccc2ccccc2c1 2413458 YRDAGILYHKVILP-UHFFFAOYSA-N 444.359 6.972 0 40 IKAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccc(Sc4ccc(C)cc4C)cc3)CC2=O)cc1 2623465 OXXCXGJMNUCNMV-QFIPXVFZSA-N 444.600 5.750 0 40 IKAB Clc1ccc2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cn2c1 2659451 FSHZKUJGIOMJFA-UHFFFAOYSA-N 429.936 5.799 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 2950807 MRVFDWVMZMWRJA-UHFFFAOYSA-N 446.963 5.898 0 40 IKAB Cc1cc2oc(=O)cc(C[C@@H](C(=O)Nc3ccccc3)C(=O)c3ccccc3)c2cc1C 3324681 LFMVCDSXAFJQKQ-HSZRJFAPSA-N 425.484 5.090 0 40 IKAB Cc1ccc(-c2nc(C)sc2C2=C(c3cccc(Br)c3)COC2=O)cc1 3375757 IJJWRIQWCTXUIA-UHFFFAOYSA-N 426.335 5.657 0 40 IKAB O=C(c1ccccc1Oc1ccccc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 3455549 XGJCLLMPPFHKMC-UHFFFAOYSA-N 445.906 5.987 0 40 IKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655585 XRNHULYSLNTAQO-FQEVSTJZSA-N 431.463 5.907 0 40 IKAB CCCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 3771734 WNBYJUYNDCVARO-NDEPHWFRSA-N 446.660 6.659 0 40 IKAB C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@@H](C)CC[C@H]1CCCO1 5743043 NCHOJZHFMFWTMB-CWBXHPNXSA-N 440.621 5.499 0 40 IKAB CC(C(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1)(c1ccccc1)c1ccccc1 5945231 BPORDLACUFBKBH-UHFFFAOYSA-N 443.616 5.102 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl 8254675 GPAXEQBFXWZCHS-UHFFFAOYSA-N 426.000 6.376 0 40 IKAB Cc1cccc(-n2c(SCc3nc(-c4ccccc4C)no3)nnc2-c2ccccc2)c1 8612651 MPBSPDBHHFLXRE-UHFFFAOYSA-N 439.544 5.893 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 8831138 PAFMHCMFTWXNDA-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 8831139 SPDJMQCAPJUJBZ-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 8845300 FOJNJWPQEHICKP-RUZDIDTESA-N 443.503 5.300 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)cc1 8871452 VEYGFXKXZJPHON-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1csc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 8894973 PDISZDMWAJNWDT-CXAGYDPISA-N 431.970 5.556 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C 9064751 KMOWCJKDYYPWOJ-JXMROGBWSA-N 445.371 6.397 0 40 IKAB O=c1c2ccccc2nc(SCc2cn3cc(Cl)ccc3n2)n1-c1ccc(F)cc1 9144394 MOMPZZAKTDVXGI-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)[C@@H]3c1ccc(Cl)cc1 9200071 NUELXABENOIYIE-JOCHJYFZSA-N 439.939 5.424 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@@H]1CCCO1 9208627 WHWXMYFYJJKUDM-NYHFZMIOSA-N 431.517 5.302 0 40 IKAB Cc1[nH]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc1Cc1ccccc1 9378326 NLBTZGIWCQLTQO-LJQANCHMSA-N 427.573 6.095 0 40 IKAB Cc1c(Cl)cccc1Nc1nnc(S[C@@H](C)c2nc(-c3ccncc3)no2)s1 9389830 VAIAVMAKCUZDGJ-NSHDSACASA-N 430.946 5.542 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)COc4ccccc4)c3C)nc2c1 9434767 ZUFRLIRMMUOIMX-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB CC[C@@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 9449564 ZEZKVDZTZJQCIU-VWLOTQADSA-N 432.907 5.047 0 40 IKAB CC1CCN(C(=O)CSc2nc(NCc3ccc(Cl)cc3)c3ccccc3n2)CC1 9474869 ZIWVUKNDHOYFFI-UHFFFAOYSA-N 441.000 5.246 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(O)cc2)N1Cc1ccccc1Cl 9592960 NRBVJWXGSBPREJ-NRFANRHFSA-N 435.838 5.037 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cc12 9647268 RTRLRCHNUGHGSH-UHFFFAOYSA-N 448.596 5.299 0 40 IKAB COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)c1 12195585 SASODPZEMGMLTA-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 12344249 ZNOWYEAAYHOXKD-NRFANRHFSA-N 446.334 5.449 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc(C)nn2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 12441835 CRZGNQLUVGWEGQ-UHFFFAOYSA-N 438.940 5.284 0 40 IKAB CC[C@@H](CNC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 12610009 LRKBRQJMIYQNSR-IBGZPJMESA-N 446.576 5.238 0 40 IKAB CCc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 12848501 CSLZLCJYCQWQSN-RTWAWAEBSA-N 442.485 5.921 0 40 IKAB COc1ccc([C@@H](CNC(=O)Cc2c(F)cccc2Cl)c2c[nH]c3ccccc23)cc1 13102176 PTGNCUULNMRFNW-HXUWFJFHSA-N 436.914 5.460 0 40 IKAB Cc1c(C(=O)Nc2ccccc2-c2nc3ccccc3s2)[nH]c2c1C(=O)CC(C)(C)C2 13110144 XZZJULANCWEHBU-UHFFFAOYSA-N 429.545 6.007 0 40 IKAB Cc1nnc(SCC(=O)c2cc(C)n(C(c3ccccc3)c3ccccc3)c2C)n1C 13116238 ZSTQPVIZDKPEOK-UHFFFAOYSA-N 430.577 5.155 0 40 IKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1ccc(OC(F)(F)F)cc1 13284037 WMLBWKDZOAUPEG-UHFFFAOYSA-N 427.835 5.155 0 40 IKAB CCO[P@]1(=O)C(c2ccccc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 13564222 ATCHNAYYAFNJNF-PMERELPUSA-N 434.329 5.696 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1CCc1ccccc1 13688324 GWPVORZJWHOTNW-UHFFFAOYSA-N 435.611 7.192 0 40 IKAB O=C(CSc1nc2c(c(-c3ccccc3)n1)CCCC2)N1N=CC[C@H]1c1ccccc1 13786367 NQUYRRJNCZSNLR-QFIPXVFZSA-N 428.561 5.074 0 40 IKAB O=C(O)c1cc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Cl 13899346 BVWJUKYZSUCBKU-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1Cl 14272839 IGACJXZSXIVDGR-UHFFFAOYSA-N 445.281 5.192 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 14609726 KMHAMYRALTZVCI-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 14824923 WOYOFEBGYOSIBM-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccccc2I)cc1OCC 15418070 HHYQYACVHQYMRL-UHFFFAOYSA-N 439.293 5.121 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNC[C@@H]2CCCO2)c(Cl)c1 16384988 LWFLRASSQRNJQX-KRWDZBQOSA-N 445.184 5.604 0 40 IKAB Nc1ccc2oc(-c3ccc(Oc4ccc(-c5nc6cc(N)ccc6o5)cc4)cc3)nc2c1 16429703 GUWQNAVEILPHRC-UHFFFAOYSA-N 434.455 6.260 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(Cl)cc1Cl 16492549 KCDVQWXVIQZNSC-UHFFFAOYSA-N 425.340 6.579 0 40 IKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)c1 16757764 YDWYNIRRZDGSAG-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Cl 17100902 XVZHRVPWWXIPAG-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)cc1Cl 17103167 YNFJVEWPIZMHMF-UHFFFAOYSA-N 439.346 6.411 0 40 IKAB Cc1ccc2c(C(=O)CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)[nH]c2c1 19371518 ZEERBWXTQQBHPL-UHFFFAOYSA-N 437.587 5.375 0 40 IKAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)CC2CCCCC2)nc(C2CC2)n1 19592096 RCNNZSWODMRCOQ-QFIPXVFZSA-N 431.584 5.247 0 40 IKAB COc1c(C)cccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 19764790 ABRUFUVBXJCIPV-HSZRJFAPSA-N 448.542 5.221 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](c1ccc(C(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 19902792 GVJXWYUHTSFSGP-LJAQVGFWSA-N 441.594 6.650 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 20797445 LVMWXGZVZUIBOC-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccsc3)no2)s1 21599317 SDTZETBUTQWCPM-UHFFFAOYSA-N 437.590 5.372 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1cccc(Br)c1 22072628 LPWXFAZURRFCRS-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB O=c1cc(COc2ccc(Br)cc2F)c2ccc(Br)cc2o1 22557178 PGEQBHMRLBTFPO-UHFFFAOYSA-N 428.051 5.036 0 40 IKAB Clc1ccc(SCc2nc(NCc3ccncc3)c3c4c(sc3n2)CCC4)cc1 25387756 HFDLWGXRGZCRFD-UHFFFAOYSA-N 439.009 6.133 0 40 IKAB COc1ccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770766 RUHHGNGKCGHWLP-RUZDIDTESA-N 442.584 6.827 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206931 XREYFOITZGSADG-INIZCTEOSA-N 440.952 5.041 0 40 IKAB COc1cc(/C=C2/SC(=N)NC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 33417810 PTSKPHJHXPRJLX-GIDUJCDVSA-N 443.739 5.373 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1NC(=O)c1ccc(Cl)cc1 34764952 KNSYOXNXTNOQDP-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCCCC1 35478593 KDUDDSQTDBBCQL-UHFFFAOYSA-N 428.305 5.506 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3nc4ccc(SC(F)F)cc4s3)CC2=O)c1C 40159432 DYUTWPTZSGSFBD-CYBMUJFWSA-N 447.532 5.219 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1cccc(Cl)c1 44086968 BLOUBQRMXREJSP-UHFFFAOYSA-N 437.927 6.063 0 40 IKAB CCN(Cc1cc(Br)ccc1F)C(=O)CCc1c(C)nn(CC(C)C)c1C 58700506 RJGSDRWYPIVGEY-UHFFFAOYSA-N 438.385 5.039 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)cc1 59056774 WWTFGZVMXMDFTK-UHFFFAOYSA-N 446.374 6.982 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 67259639 KHTUTHPRHCTQIG-UHFFFAOYSA-N 440.927 5.869 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)N[C@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F 72298248 FGZUURNILPZFHC-OAGJVSPASA-N 443.466 5.073 0 40 IKAB CN(Cc1ccccc1NC(=O)Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 79056288 QDXAJEBFBOLJLK-UHFFFAOYSA-N 441.358 5.376 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 89662040 QAMLRPXMMZCXPN-RBUKOAKNSA-N 446.979 5.144 0 40 IKAB Cc1ncc(CNCc2ccco2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95478804 JAKQPOGKTZCNBS-UHFFFAOYSA-N 425.282 5.013 0 40 IKAB COc1ccc(-n2nc(C)cc2-c2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O)cc1 100334519 CBWIPNXHQMEOEW-UHFFFAOYSA-N 443.532 5.180 0 40 IKAB COc1ccc(OC)c([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102719299 URSKXRRSLLNFJN-CMJOXMDJSA-N 432.476 5.314 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)[C@H]2O 118914041 KUZBETODCMAEND-WTHPPSMUSA-N 444.562 5.966 0 40 IKAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 118916271 QUYCEUJYTAJEMW-ALFTXSEJSA-N 448.569 6.463 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219845933 DFPNZFNLPRONKK-VWLOTQADSA-N 437.967 6.445 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc32)c1 223083929 CPBQDFFAUXPZJV-UHFFFAOYSA-N 438.449 5.859 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223103744 VWZDCDNVXXHUCG-ZDUSSCGKSA-N 425.326 5.004 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 223141032 FGPNUEWZFRPPBB-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 223182052 XDSQXJUZYMMFSU-IBGZPJMESA-N 448.588 5.084 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 223689939 JLPCVIIPOHWKSY-RUZDIDTESA-N 446.591 5.251 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1c1ccccc1 224179758 XEUHSPQAQXDIFZ-GOTSBHOMSA-N 429.570 6.003 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1C 224259960 GIILFJAXNVQRPR-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224350897 VEZKPRBYJOAAFJ-UHFFFAOYSA-N 441.936 5.680 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224550229 ILTFJHUYIBNGPO-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224790122 NSKOBCPKUYWNJN-GOSISDBHSA-N 445.028 5.298 0 40 IKAB Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 224940072 UUUSRAUEGHSJOB-UHFFFAOYSA-N 447.332 6.010 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225155769 QMAKMIKKJHBTOZ-PMACEKPBSA-N 445.003 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225312289 ATRFTGCXYZXBBX-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225717335 ADRXJSMFIZNPMD-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cc(Cl)cc(Cl)c1 225803928 VGUKMBKXYPMXBT-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB Cc1cc(N2C[C@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919238 FCMUHVWFRXGDKL-IAGOWNOFSA-N 435.597 5.014 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c1 408546878 WRCWAHUBBJENRG-UHFFFAOYSA-N 436.577 5.590 0 40 IKAB COc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)c1 408572235 FTHRVDKXFJIJER-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc2nsnc2c1NC(=O)COc1c(Cl)c(C)c(Cl)c(C)c1Cl 408574591 SJPAKYHNDYURDZ-UHFFFAOYSA-N 430.744 5.594 0 40 IKAB Fc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Cl)c2)cc1Cl 408603254 BRSGLECQOYRKEX-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB Fc1ccc(NCc2c(OCc3cccc4ccccc34)ccc3ccccc23)cc1Cl 408605909 HFDGLAFIXLGTIX-UHFFFAOYSA-N 441.933 7.977 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 408606351 LPFPHIGPLVZGAM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCc1nnc(S/C(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)O)o1 408633443 YLADCGZLYBTCTM-ODLFYWEKSA-N 439.924 5.506 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408646096 VKSVBPGKCUGWDL-CQSZACIVSA-N 443.728 5.247 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2Cl)cc1 408680031 XWSRUPZHUZXWOR-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)NC2CCCCC2)nc1-c1cccc(Cl)c1 408692251 IMWAEQLBDGFUHR-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3cccc(C)c3)n2)c1 408728050 ZKQFEGNBSQZANQ-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C 408979216 QCLAOIZRMVBURI-UHFFFAOYSA-N 438.560 6.046 0 40 IKAB CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Br)cc2)[C@H](O)c2ccccc2-3)C1 408980169 DZKZASDUSDVSSV-HSZRJFAPSA-N 434.333 5.728 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409013515 ASFGNUOWXGMNOT-RQZCQDPDSA-N 440.323 6.156 0 40 IKAB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)NC1=S 409083029 NHOLHZAGDMUPDB-WQRHYEAKSA-N 435.376 5.348 0 40 IKAB Cc1ccccc1CN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(C)(=O)=O 409180209 XBYCBNIQEJHMHE-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccc4ccccc4c3)C2=O)c1 409235414 PNBHVPCRSSIKOO-YZSQISJMSA-N 448.522 5.820 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)cc1 409380494 FQGOJJUCDNFOGF-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CCCCCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OCC)cc1 1547205772 FKELDAVFAYXTQM-QHCPKHFHSA-N 425.569 6.263 0 40 IKAB Clc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2ccccc2)cc1Cl 721374 MWMJLGIAOLTETI-UHFFFAOYSA-N 433.302 5.489 0 40 IKAB O=C(CCS(=O)(=O)CCC(=O)c1ccc2ccccc2c1)c1ccc2ccccc2c1 1563775 DPYHLQXXGDKBSC-UHFFFAOYSA-N 430.525 5.254 0 40 IKAB Cc1cccc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 2073498 MVSQECPUFDHJBP-UHFFFAOYSA-N 434.539 6.408 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2)cc1 2206336 YIIMSBPIZSKDET-UHFFFAOYSA-N 434.008 7.178 0 40 IKAB COc1ccc(-n2c(Cc3cccs3)nnc2SCc2c(F)cccc2F)cc1 2227899 OYOFNCXOQXTATP-UHFFFAOYSA-N 429.517 5.499 0 40 IKAB Cc1ccc([C@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 2270307 SNKARJWWWRPNBT-SANMLTNESA-N 438.398 7.437 0 40 IKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 2375362 LKDATXUJHDZDIC-QGZVFWFLSA-N 445.567 5.205 0 40 IKAB COc1ccc([C@H](Nc2ccccc2)[P@@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2391246 XJCNDWJGARFDTN-NJHZRGNWSA-N 438.508 5.901 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 2450489 KGNZSODMTIYHRQ-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1c[nH]c2ccccc12)C(=O)O 2541682 IYEODAZATZJQGN-RUZDIDTESA-N 440.499 5.045 0 40 IKAB in-vitro CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)C[C@@H](C)C4)ncnc32)cc1 2715237 KBLAWJVQNXOOKK-WOJBJXKFSA-N 426.564 5.969 0 40 IKAB COc1ccc(Sc2nc(SCc3ccc(Cl)c(Cl)c3)ncc2OC)cc1 3133178 IVFUZXWRMIYBNA-UHFFFAOYSA-N 439.389 6.244 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCCc1ccc(Cl)cc1Cl 3302471 DSTKFXSSDZWIKD-UHFFFAOYSA-N 444.314 5.301 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)n1-c1ccccc1 3332828 QEZFCUCPKQSRCD-SFHVURJKSA-N 444.560 5.296 0 40 IKAB COc1ccc(-c2csc(NC(=O)Cc3ccc(OCc4c(C)noc4C)cc3)n2)cc1 3344599 KEIKLEGRCGVWNR-UHFFFAOYSA-N 449.532 5.184 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F 3370323 PMWICWJELBQUKF-UHFFFAOYSA-N 436.336 5.162 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccc(Cl)cc1 8810058 XESKLAIJOQFCCS-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 8831907 IEAPKTHUSBUZCG-UHFFFAOYSA-N 441.314 6.841 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2cccc3ccccc23)[C@H]2CCS(=O)(=O)C2)CC1 8869744 WEIOYTUCELBDMY-JVPYDEADSA-N 441.637 5.352 0 40 IKAB C[C@H]1CCCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)C1 9112182 LSZAFAWVLOUIQA-KRWDZBQOSA-N 443.576 5.238 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1 9289211 PXQFMOZRTJSVKA-HHHXNRCGSA-N 437.543 5.486 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCC(=O)c2ccccc2)s1 9312220 IHUFGXDGWSHTLL-FZMZJTMJSA-N 442.393 5.043 0 40 IKAB Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9358343 IHEQFHABQCJACT-VWLOTQADSA-N 443.978 5.876 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3cccc(C)c3C)c(=O)[nH]c2c1 9428664 OTEHKGLLYWBQNW-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl 9464267 ITCNSWHEKIJBSQ-QHCPKHFHSA-N 433.939 5.333 0 40 IKAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1oc2ccccc2c1COc1ccccc1 9535228 WBNSASIFVORDER-UHFFFAOYSA-N 440.499 5.069 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc5ccccc5n4)nc3c1[C@@H]2c1ccccc1 9583892 ATRNJNHLIMRAPH-HSZRJFAPSA-N 443.466 5.331 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(Cc2cccs2)n1C)c1ccc(-c2ccccc2)cc1 9794676 PVEJBUOVTXRWRX-QGZVFWFLSA-N 448.617 5.104 0 40 IKAB CN(C)CCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2ccc(F)cc2s1 12140929 AWDSRACIMJCFLX-UHFFFAOYSA-N 449.551 5.826 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12194528 VPKVOZMFVMSPSR-XNMGPUDCSA-N 446.978 7.151 0 40 IKAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1ccc(-c2ccc(Cl)cc2)o1 12353311 RIENZEOMCJAOQZ-UHFFFAOYSA-N 441.870 6.626 0 40 IKAB CCOc1ccc(OCC)c(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c1 12568694 WRSPOZSOYBGITG-UHFFFAOYSA-N 432.929 5.278 0 40 IKAB Cc1cc(C)c2nc(S[C@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 12650959 NDYBSVGBHIRAEE-JKSUJKDBSA-N 447.431 6.825 0 40 IKAB Cc1sc2ncnc(S[C@@H](C)C(=O)N3c4ccccc4Sc4ccccc43)c2c1C 12833711 WHBLZTLLGHPYCP-HNNXBMFYSA-N 449.626 6.618 0 40 IKAB aggregator CCOc1ccc2nc(-c3ccc(NC(=S)Nc4ccc(C)c(C)c4)cc3)sc2c1 13131544 YJMDZCKLCUPBHN-UHFFFAOYSA-N 433.602 6.788 0 40 IKAB Brc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13770284 GVRVYQAAZNPRCM-WMZHIEFXSA-N 449.304 5.420 0 40 IKAB CCCCOCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 13942343 PNJUMUKZMQSYGA-NDEPHWFRSA-N 438.571 6.587 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cc(Cl)ccc1Cl 13954931 ZIKSASCGUAVXCZ-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 14270650 JVHDLKIAPODWPQ-UHFFFAOYSA-N 443.572 5.597 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 14398085 HIHYSVWFSMBZBH-UHFFFAOYSA-N 428.315 6.022 0 40 IKAB CCOc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 15778690 ZXYYAGSKYUELQV-NRFANRHFSA-N 448.910 5.700 0 40 IKAB CCOc1ccccc1N(CC(=O)c1ccc(Oc2ccccc2)cc1)C1=NCCCS1 16768888 GGNWOTPYHXBFCG-UHFFFAOYSA-N 446.572 6.060 0 40 IKAB CCOc1ccc(C(=O)Cn2nc(COc3cc(C)ccc3C(C)C)oc2=S)cc1 16769186 NIJJGTZYVAWVKU-UHFFFAOYSA-N 426.538 5.498 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841076 CPGDPSDGYJWRSU-UHFFFAOYSA-N 433.327 5.152 0 40 IKAB CCOc1ccc(CCC(=O)N2CCCC[C@@H]2c2nc(C)ncc2-c2ccncc2C)cc1 19533139 ZOBCWJUGHHNTPM-RUZDIDTESA-N 444.579 5.241 0 40 IKAB COc1ccc(CN(Cc2cccnc2)Cc2cccs2)cc1Cn1nc(C)cc1C 19574395 FTAZAJFLGLIFGB-UHFFFAOYSA-N 432.593 5.216 0 40 IKAB CCc1ccccc1/N=c1\oc2c(OC)cccc2cc1S(=O)(=O)c1ccc(C)cc1 20285566 DSLSGSDRFYLFPJ-QPLCGJKRSA-N 433.529 5.377 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797344 YYJKCEZGLKXSEI-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 22534963 CNXLBTXIRSFSER-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c1 23127022 BOMBPDBFPXBAGW-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB Cc1ccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770771 OMOLETYQAPJVGW-VWLOTQADSA-N 426.585 7.127 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(NC(=O)Nc2cccc(C(F)(F)F)c2)c1 26780034 PIYYYODFYXTHTO-UHFFFAOYSA-N 449.882 5.033 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNc1ccccc1 28296660 OTWYDGBQRKDJKI-MHZLTWQESA-N 446.594 7.065 0 40 IKAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1cc(-c2ccncc2)nc2ccccc12 29636109 KRSSURHDCGLOAJ-UHFFFAOYSA-N 443.576 5.382 0 40 IKAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 32116795 YIYLTQYOPZXXBY-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 32126457 RSTKEBBTIIIMSJ-UHFFFAOYSA-N 435.376 6.668 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(Br)cc1)C1=COCCO1 32988024 HHZNDZHSPQISOJ-UHFFFAOYSA-N 444.203 5.087 0 40 IKAB CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 33821793 HCCASHTVIJTISL-DNVJHFABSA-N 448.902 5.189 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)c2c(C)nn(Cc3ccccc3)c2n1 36617060 TWKOCXLZLBXTIP-UHFFFAOYSA-N 449.352 5.420 0 40 IKAB CC(=O)c1c(C)nn(C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1C 36640158 ZZEWEECMZDPVRE-QGZVFWFLSA-N 430.335 5.178 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849387 DNMHERDPYSCEKT-CQSZACIVSA-N 427.759 5.506 0 40 IKAB CCN(CC(=O)Nc1c(C)cccc1C(C)C)S(=O)(=O)c1cc(Cl)ccc1Cl 39985284 ZAFMYBUIGOHILH-UHFFFAOYSA-N 443.396 5.075 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1)C(C)C 40040609 SDLZSMVNBZCANG-HSZRJFAPSA-N 444.535 5.032 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 44837538 SHEGWWJTAUCCFQ-UHFFFAOYSA-N 444.638 5.764 0 40 IKAB O=C1CSC2=N[C@@H]3/C(=C\c4ccc(Cl)cc4)CCC[C@H]3[C@@H](c3ccc(Cl)cc3)N12 51329849 MLJGGZQKISBLGP-XNQXNLOKSA-N 443.399 6.232 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3F)oc12 67295730 RILBHVJRAIAHAM-VYIQYICTSA-N 437.858 5.422 0 40 IKAB CCOc1cc(CNC(=O)c2sc(Nc3ccccc3CC)nc2C)ccc1OC 71326591 LDGYBPKVQYMWOI-UHFFFAOYSA-N 425.554 5.095 0 40 IKAB Cc1nnc(-c2ccc(C(=O)Nc3cc(NC(=O)Nc4ccccc4)ccc3C)cc2)o1 78899832 SELTVIZLKQLEAE-UHFFFAOYSA-N 427.464 5.250 0 40 IKAB CC[C@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 95460880 SSZZUUQWLAQVBV-QFIPXVFZSA-N 442.567 5.718 0 40 IKAB CN1c2ccccc2[C@H](NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(O)O 100471832 XERSZBJRWKCAQX-NRFANRHFSA-N 438.977 5.528 0 40 IKAB in-vitro Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=O)N(C4CCCCC4)[C@@]2(C)Oc2ccccc23)c(C)c1 101353293 KXQFAGOJTDAXKN-FXSPECFOSA-N 433.552 5.066 0 40 IKAB Cc1ccc(C2=C[C@@H](c3cc(Br)ccc3F)n3c(nc4ccccc43)N2)cc1 102799599 UMHCHSRXBMBLCA-QFIPXVFZSA-N 434.312 6.302 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)cc1 113965994 FCFWWHKLWOHDOY-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 214599135 VKANRWAUZPLULG-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O[C@H](C)CC 214600166 PMDUOIBTHZOEOY-FEMWLQECSA-N 425.550 5.808 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 216409317 KAEIPMKSGKDGEM-IQGLISFBSA-N 434.561 5.162 0 40 IKAB COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 223053020 OPMDYBHQIIRPDI-FQEVSTJZSA-N 438.612 5.083 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 223652085 OJVNFUXOCOLFFH-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223973165 CHDUJCQFQKFACN-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224269941 HPKPZIZOYRWDHU-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc2ccccc12 224307911 WBPMXQFZJSBJDJ-NRFANRHFSA-N 439.555 6.179 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccccc1Cl 224480395 UIVNWJNJWVEFGY-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224551297 SGPCMVIDYRKTOA-UHFFFAOYSA-N 429.560 6.394 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)ccc1F 224906606 UPMCMSPPDNSFED-RPWUZVMVSA-N 446.526 5.636 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225525918 HEGJASBOFGROGB-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225690411 GZFYMCNJEILCIJ-VGSWGCGISA-N 449.422 5.566 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)NCc1cccc2ccccc12 225806220 LOMUMBZPTDAVSZ-UHFFFAOYSA-N 425.410 5.158 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 225869125 HFSVUBLZHWPFMZ-FDDCHVKYSA-N 425.569 5.398 0 40 IKAB CCOc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1 225944025 PYOWAAKVZBIIFF-UHFFFAOYSA-N 435.567 6.447 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(OC)cc4)cc(C)n3)C2)cc1 257257501 KPWXYSOQSHMOAU-XMMPIXPASA-N 444.575 5.622 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)cc1 408544362 HEONDPXJOISQEW-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c(C)c1 408546261 DEMNQWUIIPHCHB-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(F)cc1 408563651 WAZVAUMMPFTJCJ-LVWGJNHUSA-N 432.948 5.731 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3c(F)cccc3Cl)cc2)cc1 408576746 QWSRFWRMUAYONY-UHFFFAOYSA-N 429.944 5.575 0 40 IKAB S=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408578541 YNDATMWORYIOPX-ZDUSSCGKSA-N 430.784 5.670 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408694495 JPRPJXIPSGBSBN-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2cccc(C)c2)cc1 408724169 GYDTWRKWVOVXSA-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccc1 408821968 AXQSRRFZDGCHQE-UHFFFAOYSA-N 432.548 7.396 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1Cl 408918362 JOPPJWLZZFDWLB-YCIYHOANSA-N 434.322 5.396 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)c2ccccc21 409120472 WDGRETFBZDVRIA-QNGOZBTKSA-N 433.935 6.225 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 409247383 BWPCNOFXTNPQFT-SFQUDFHCSA-N 447.159 6.935 0 40 IKAB Cc1ccc(-c2ccc(/C=C3\NC(=O)N(Cc4ccccc4)C3=O)o2)c(Br)c1 409250151 MLUCQVFXYPYLMW-UNOMPAQXSA-N 437.293 5.110 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 409407905 AWPAYHIZEZVKNK-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCc1ccc(C(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2cc(C)cc(C)c2)cc1 1505840691 RBFXLLYGDQPBIH-SANMLTNESA-N 428.576 5.626 0 40 IKAB CC(C)CNC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 674725 LDTIVVFEFFISDE-HIFRSBDPSA-N 435.277 5.236 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccc(F)cc1 680624 PCKNMIUKCODJGP-UHFFFAOYSA-N 437.521 5.419 0 40 IKAB S=C(Nc1ccccc1)Nc1cccc2c(NC(=S)Nc3ccccc3)cccc12 721977 NFGWOYKYCUDGDN-UHFFFAOYSA-N 428.586 6.458 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1C 849057 LLGHJTGOZDACAA-UHFFFAOYSA-N 440.425 5.074 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccco1 1341687 OHGLSKYSXVXYKF-QFIPXVFZSA-N 440.540 5.313 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc12 1371645 FDCPZZSBNZOCHU-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@H](C)C3 1375659 FFVUXUOGBBUPMU-AWEZNQCLSA-N 441.622 5.679 0 40 IKAB Cc1ccc(NC(=O)c2ccc(OC(=S)Nc3ccc(Br)cc3)cc2)cc1 1434617 IMHQFFOYHLBIKC-UHFFFAOYSA-N 441.350 5.786 0 40 IKAB CC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 1828663 FRRDSVNYKUBDHH-MHZLTWQESA-N 425.613 6.439 0 40 IKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccccc1C(=O)OCCOc1ccccc1 2050155 KHFBCAGHOZIVKY-UHFFFAOYSA-N 444.409 5.585 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(C)c3)cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2c1 2078767 CTLMFMFWGHAHIE-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB CCCCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)coc4cc3oc2=O)cc1 2096228 XNCIDKBNYUYDTE-UHFFFAOYSA-N 433.504 5.906 0 40 IKAB biogenic CCOc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 2397039 AADAKUDQAKHGIV-UHFFFAOYSA-N 435.574 5.796 0 40 IKAB COc1cc(C(=O)OCC(=O)Nc2ccccc2-c2ccccc2)ccc1OCC(C)C 2653269 FRLMSSMOKIDHKB-UHFFFAOYSA-N 433.504 5.193 0 40 IKAB O=C(/C=C/c1ccccc1)N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl 2674195 UWEIALNJIZNATP-SCOAYWHSSA-N 438.569 5.931 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc(NCCc2ccccc2)c2ccccc2n1 2941486 QJJSXDJTCPRHFU-UHFFFAOYSA-N 443.572 5.788 0 40 IKAB CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Cl)cc1 3049287 RBWPKSSJROFVNU-UHFFFAOYSA-N 439.846 5.539 0 40 IKAB CCOc1cc(C(=O)OCc2c(C)cc(C(C)(C)C)cc2C)cc(OCC)c1OCC 3341880 NXRROOFDRBZBIE-UHFFFAOYSA-N 428.569 6.154 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(C)c1ccccc1 3362723 QRAVDCARAHZQPP-SFHVURJKSA-N 426.545 5.349 0 40 IKAB COc1cc(CN(C)c2nc(C)nc3sc4c(c23)CC[C@H](C)C4)ccc1OC(F)F 3399854 KKVRRECXPSCJPS-LBPRGKRZSA-N 433.524 5.371 0 40 IKAB O=C(c1ccccc1)[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccccc1 6017294 BABSUFBKNMIDHL-MUUNZHRXSA-N 446.575 7.460 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2C)n1-c1ccccc1 6444234 BLBDSIPPAZRJSK-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(O)c1ccc(Cn2c3ccccc3[n+]3nc4c(cc23)-c2cccc3cccc-4c23)cc1 8439396 HCEVLKVYFCBKAF-UHFFFAOYSA-O 428.471 5.322 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3)nc2c1 8440105 ZFZCAKCOXXWOAQ-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br 8753152 NUYOWXYODLMKGA-GOSISDBHSA-N 446.348 5.368 0 40 IKAB CC(=O)N(c1nc(CSc2nc(-c3ccccc3)cn2N)cs1)c1cccc(C)c1C 8757278 UEOYWBVPKASDRP-UHFFFAOYSA-N 449.605 5.314 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1C 8871081 KWYLJQDOWQMAHD-LJQANCHMSA-N 443.595 5.717 0 40 IKAB CCC(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1CCc1ccc(OC)c(OC)c1 8992793 BJWFYGKTDPEDJJ-UHFFFAOYSA-N 446.551 5.257 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 9378149 SKPITHKLYPFVJW-JOCHJYFZSA-N 439.631 5.197 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc3ccccc3oc2=O)cc1 9414327 SGPMHWPBUUODQQ-UHFFFAOYSA-N 438.439 5.352 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCC(c2ccccc2)c2ccccc2)no1 9462793 HKOOADVYLGOVRN-UHFFFAOYSA-N 429.545 5.232 0 40 IKAB CC(=O)c1cccc(OC[C@H](O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 9608634 XHBFBAMGCKAEIE-IBGZPJMESA-N 443.594 5.140 0 40 IKAB CCOc1ccc2ncc3c(-c4cccc(OC)c4)nn(-c4ccc(Cl)cc4)c3c2c1 9676027 CEQWPFIDPPPKJA-UHFFFAOYSA-N 429.907 6.301 0 40 IKAB Cc1cccc(OCc2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)c1 9884635 YWQAFKKKBLXQEW-UHFFFAOYSA-N 431.517 5.502 0 40 IKAB Cc1ccc(-c2csc(NC(C)(C)C)[n+]2-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 11617450 BEZVYSJIZMWIIW-UHFFFAOYSA-O 433.601 5.008 0 40 IKAB CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12326111 NTCFWRVZYZWYAX-UHFFFAOYSA-N 449.551 5.305 0 40 IKAB CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3cc(OC)cc(OC)c3)c12 12500101 ZHSDUBHTOCETGB-UHFFFAOYSA-N 443.594 5.188 0 40 IKAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)C1 12695141 AREFADZJZSHSDA-IYBDPMFKSA-N 433.021 5.310 0 40 IKAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ccc(SCc2cscn2)cc1 12773304 GJENNIUQILZWGS-UHFFFAOYSA-N 445.997 5.178 0 40 IKAB COc1ccc([C@@H]2[C@@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 13070239 FOPPEBIIIMFZNG-BKMJKUGQSA-N 444.531 5.135 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13129337 AQNCLFSYPLWCMH-MHZLTWQESA-N 433.507 5.984 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)c(Cl)c3)c(=O)c3ccccc3n2C)cc1 13591469 NPUWWTVSCAQSBJ-UHFFFAOYSA-N 437.326 6.073 0 40 IKAB CCOc1ccc(-c2c/c(=N\c3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1 13722591 YOTFIJGKHWCTJH-LHLOQNFPSA-N 444.581 7.224 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCc3ccc(Br)cc3)n2CC)cc1 13871451 HUAAVIGWTZRJCH-OAHLLOKOSA-N 446.414 6.055 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Oc2ccccc2)cc1 13979541 QRBIPINYQAYMJW-UHFFFAOYSA-N 432.701 5.912 0 40 IKAB Cc1cc(C)c2nc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccs3)sc2c1 14163099 DZJIOUVYOXLEFQ-UHFFFAOYSA-N 430.558 6.080 0 40 IKAB Cc1ccccc1-n1c(SCc2csc(-c3ccsc3)n2)nnc1-c1cccnc1 14757433 AKRUEUDRTFACQD-UHFFFAOYSA-N 447.614 6.115 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccc(Cl)cc1)nn2-c1ccccc1 15228901 GRPRGYKCJKYGMQ-UHFFFAOYSA-N 449.863 7.427 0 40 IKAB CC(C)[C@@H](C)NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 16046107 CCVACHKKEVLMLC-OAHLLOKOSA-N 428.583 5.327 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)cc1Cl 16346891 RJDGGWAUMNOIQD-UHFFFAOYSA-N 429.863 6.364 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c(=S)o2)cc1 16768612 UEQUHGMLMDEKIF-UHFFFAOYSA-N 428.728 5.780 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccccc1Br 17094694 XPKGVDPJFYQFJO-UHFFFAOYSA-N 426.093 6.373 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 17098676 CGWBZOHQQIJWCO-INIZCTEOSA-N 433.939 6.414 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccc(Cl)c2)cc(-c2nc3ccccc3o2)c1O 17101757 WPUDOKWRDSVZEW-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB O=C(c1ccccn1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19349225 NZYMHEQQFZVMFW-HWBMXIPRSA-N 449.957 5.004 0 40 IKAB CCOc1cc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)ccc1OC 19531934 SGMWWWWVZARXDQ-UHFFFAOYSA-N 449.473 5.337 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2cccc(Cl)c2)o1 19637151 NSCXOJKRJSAILH-UHFFFAOYSA-N 442.858 5.653 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1 19691279 KJQIIIPUGNSCAW-XMMPIXPASA-N 446.501 5.508 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672355 XAYWVPAXYFLXSW-QHCPKHFHSA-N 435.524 5.076 0 40 IKAB c1ccc(Cn2c(SCc3csc(-c4ccccc4)n3)nnc2-c2cccs2)cc1 23989474 OELURWGFTGMBTL-UHFFFAOYSA-N 446.626 6.471 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 27741256 SKXISBUUFVSVDS-CQSZACIVSA-N 444.919 5.789 0 40 IKAB CCc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)N2CCCC2)cc1 28293405 UZHZJJMPHBLGFD-LJAQVGFWSA-N 449.598 6.031 0 40 IKAB O=C(NC[C@@H]1COc2ccccc2C1)c1ccccc1CSc1nc2ccccc2o1 32744643 OGQCLOVHTCOSOG-QGZVFWFLSA-N 430.529 5.101 0 40 IKAB CC[C@H]1CCc2c(c(-c3ccc(F)cc3)nc3c(-c4ccc(OC)cc4)c(COC)nn23)C1 35326934 TUEPYQKXINFLAE-KRWDZBQOSA-N 445.538 5.872 0 40 IKAB Cc1cccc(O[C@@H](C)c2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 39900014 FNECJNMFSNUMGY-NRFANRHFSA-N 427.548 5.926 0 40 IKAB COc1ccc(-c2nn3c(N4CCN(c5ccc(Cl)cc5)CC4)cc(C)nc3c2C)cc1 40216863 KGTQGLRTWWBTCB-UHFFFAOYSA-N 447.970 5.002 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 44791892 KGNWYROBSUQVJR-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(C2=NN(C(=O)CN(C)Cc3nc4ccccc4s3)[C@@H](c3ccco3)C2)cc1 57286263 PDSBRAFSHZLKQQ-OAQYLSRUSA-N 444.560 5.007 0 40 IKAB CCN(CC)C(=O)c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1 59843009 UNPXUZCDXJDAQK-UHFFFAOYSA-N 442.140 6.046 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)c(C)c1 67297252 MXHRUWBULNQDDL-OLFWJLLRSA-N 436.433 6.553 0 40 IKAB CCCC(CCC)N(CC1C[C@@H]2CC[C@H](C1)N2C)C(=O)c1cc2c(C)nn(C)c2s1 72294363 NPWGJQMESVSDAY-CTXDPNEZSA-N 430.662 5.227 0 40 IKAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 72344944 BDUIUKBSWOVANS-NRFANRHFSA-N 445.007 5.202 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccccc3Cl)cc2)S1 85411758 YCMTYKUDCAJKOE-HXUWFJFHSA-N 427.957 5.876 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cc(F)cc(F)c5)cc34)co2)cc1 96037810 CWTDGMKHSNCHLZ-UHFFFAOYSA-N 445.425 5.666 0 40 IKAB COc1cc([C@H]2Nc3ccccc3N=C3CC(C)(C)CC(O)=C32)cc(OC)c1OC(C)=O 100722126 LXTWOAHIKXFPNF-HSZRJFAPSA-N 436.508 5.501 0 40 IKAB O=C1O[C@@H]2C[C@@H]3C[C@@H]2[C@H]1[C@@H]3C(=O)Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1 102102557 JTXSKGZAHCUCJH-JIKCRDEFSA-N 425.484 5.282 0 40 IKAB Cc1ccc(N2CCC(C(=O)Nc3ccccc3C(=O)N[C@@H](C)c3ccccc3)CC2)cc1 219855499 BIIMLHPPPIYWAX-NRFANRHFSA-N 441.575 5.341 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222935718 UICNGIDICRHLOQ-RTWAWAEBSA-N 444.025 6.108 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222985941 JLHATVNGABATNI-VXKWHMMOSA-N 425.985 6.076 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223363892 ATNILYQIBHMTTI-PKTZIBPZSA-N 449.963 6.069 0 40 IKAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420672 HHNBMMYPDGVDMZ-RUZDIDTESA-N 434.967 5.179 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(CN2CCc3ccccc3C2)cc1 223582231 SCQZPGKRRKVZEC-UHFFFAOYSA-N 436.555 5.207 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224202374 YZXHXWYREVFLHT-UHFFFAOYSA-N 425.912 5.175 0 40 IKAB CN(c1ccc(C(=O)Nc2ccccc2Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 224229248 BPKUJTWIZQHMLS-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224232430 ZBDXELLJNKOOSP-LOSJGSFVSA-N 430.621 6.101 0 40 IKAB COc1cccc(OCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)c1 224256956 KBJRCQOHJRROJC-UHFFFAOYSA-N 445.559 5.378 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1C 224276130 DEZVUGPSBUBPEP-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1C 224410648 MAMHXSZMTBSOBZ-SFHVURJKSA-N 449.422 5.342 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224586221 JSHKDDCNJIGTAY-DNQXCXABSA-N 426.545 5.058 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)c1cccc(OCc2ccccc2Cl)c1 224792631 JRPOVBNSWJTRFM-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224892063 NTSMMXZPMTZFPA-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225034264 FAKNLDJLTWFWNB-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225245608 QBYBSQUGJPBDKI-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225580174 HPFVJSBXNXRRHX-GJZUVCINSA-N 436.640 5.773 0 40 IKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2ccccc12 225845326 JAKPPYVHNCFRIZ-UHFFFAOYSA-N 427.629 7.215 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1C 225864014 NLQZTLFNAUKWJX-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc2cc(Cl)ccc2oc1=O 226042151 RATUTMAMVCOJHQ-UHFFFAOYSA-N 426.255 6.144 0 40 IKAB Cc1cc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)cs1 253530815 VKJRRJSKUCEKQH-SAABIXHNSA-N 425.985 5.871 0 40 IKAB CN(C)C(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C2CCCCC2)CC1 257274193 NJXLSRDQNBQPPV-UHFFFAOYSA-N 438.637 5.235 0 40 IKAB COc1ccc(CSCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 408574771 LBTLHBHLCMIQME-UHFFFAOYSA-N 425.937 5.452 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1C 408696792 BWKFGYMNUKEKJX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(/C=C(/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)c2ccccc2)cc1 409116511 PMZFBMFYHFHJGA-XIEYBQDHSA-N 446.978 5.546 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 409173445 NFOQRPBJPWUCGT-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccccc1Br 409199593 HYFOUPAWVJNJLM-BZZOAKBMSA-N 449.373 5.924 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)cc1 409221466 QSFKWLPYKWMRHQ-XDHOZWIPSA-N 440.977 5.954 0 40 IKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)c(F)c3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242545 RMYSRENSWXWAQK-IMVQFDEQSA-N 441.497 5.140 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 865643 UGXGJUPKAZSTFM-LSDHHAIUSA-N 426.870 5.259 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1ccccc1Cl 924470 IXRCVVXYJXXFEQ-UHFFFAOYSA-N 427.961 5.230 0 40 IKAB CCOC(=O)c1ccc(N[C@@H](c2ccc(OC)c(OC)c2)c2c(C)[nH]c3ccccc23)cc1 956922 FIRWJRKWKBDSMQ-SANMLTNESA-N 444.531 5.872 0 40 IKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccc(Cl)cc2)cc1 1378213 IQJHFOXBIIQJQD-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB O=C(CSc1c(Cl)cccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 1403824 BSOSVYMOHPSHSB-UHFFFAOYSA-N 437.417 6.101 0 40 IKAB CCN(CC)CCC[C@H](C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12 1729669 CPNZFAYIRSHTEY-IBGZPJMESA-N 442.072 7.103 0 40 IKAB Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C3C(Cl)=CC(Cl)=CN32)cc1 2050281 QXUUFQZUEGXVGE-UHFFFAOYSA-N 428.163 5.493 0 40 IKAB CCc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 2079479 GPXDIUZCJXCJSK-HXUWFJFHSA-N 437.539 6.509 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 2184836 AXNJIYHABMBQRY-UHFFFAOYSA-N 443.565 5.814 0 40 IKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 2375831 FHUHRGZWSPKDEJ-OAQYLSRUSA-N 444.339 7.931 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 2801699 NVMDPAXNVMESQJ-UHFFFAOYSA-N 441.581 6.374 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1 2916720 IMBARSFXZOGDSH-DNQXCXABSA-N 444.897 5.592 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(Nc3c(C)cccc3C)s2)c1 3266835 RYAZTSAFRCFFEN-OAHLLOKOSA-N 426.567 5.220 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc3c(C)nn(Cc4ccccc4Cl)c3s2)cc1 3354553 FYQFEMTVPBICHE-UHFFFAOYSA-N 438.940 5.319 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)cc1 4548449 UBDFUDLLRYTGRC-MUUNZHRXSA-N 427.544 5.434 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3[C@@H]2N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4676896 CPLKMMGVQMTAPZ-LUBZPXDRSA-N 430.592 5.544 0 40 IKAB COC(=O)[C@H]1C[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1(C)C 5230443 HEASRFZDYCISJY-KERMMGDKSA-N 442.728 8.063 0 40 IKAB Clc1ccc([C@@H]2CC(c3ccccc3Cl)=NN2c2ccc(Cl)c(Cl)c2)cc1 8398029 VAHPIWDBTQCHPA-NRFANRHFSA-N 436.169 7.656 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCCC2)cc1 8613379 XQQHRBRVBRMJES-JOCHJYFZSA-N 440.971 5.669 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)c1 8613886 HLOUYMSGWXNCMX-UHFFFAOYSA-N 444.944 5.732 0 40 IKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@@H]32)C(=O)C1 8773628 WGENJQBZVYXURO-WMZHIEFXSA-N 435.995 5.668 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2ccc(Cl)cc2Cl)o1 8819027 WGXZDVUJBJITJE-UHFFFAOYSA-N 431.300 6.278 0 40 IKAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc12 8870330 IHFCRBWHMHHWHV-UHFFFAOYSA-N 449.956 5.851 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1F 8871482 VMRZVBWITPKRAE-FQEVSTJZSA-N 443.522 5.555 0 40 IKAB Cc1cc(C(=O)COc2ccc(NC(=O)c3ccccc3)cc2)c(C)n1Cc1ccco1 8937006 VVMSOCYEIPZTKC-UHFFFAOYSA-N 428.488 5.260 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 8984472 ZXXATUVQVXOJBR-SPRIRYNYSA-N 429.470 5.797 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 9245317 AZKPJXVJIVPQRK-UHFFFAOYSA-N 445.544 5.663 0 40 IKAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 9444027 NFCWSCJCICLRQJ-SFHVURJKSA-N 437.521 5.498 0 40 IKAB aggregator Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cc1 9465757 UJJLNTJLZZROGE-UHFFFAOYSA-N 434.492 5.093 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(F)c(F)c1 9508137 ADJQJJNYDJYSNN-UHFFFAOYSA-N 425.435 5.445 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)cc1 10128859 ZJKJJYNFMYIIAL-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1cccc(-c2nc3ccccc3s2)c1 10218318 ORUIPBDSJFTEQW-UHFFFAOYSA-N 436.558 5.156 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CSc3ccc(Cl)cc3)c2)cc1 10326662 AFUULPDTXAUPGM-UHFFFAOYSA-N 437.992 6.599 0 40 IKAB O=C(Cc1ccccc1F)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 10522465 MTLJMUOMTBXDGE-UHFFFAOYSA-N 431.492 5.383 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)n1 12220532 WAQACZPLIRYBAX-UHFFFAOYSA-N 440.522 5.327 0 40 IKAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3ccccc32)N1c1ccc2c(c1)oc1ccccc12 12360280 AKCRFVLXQDNNQS-HHHXNRCGSA-N 431.451 5.463 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(C)c1 12781682 QXMJIPZPACPFPL-UHFFFAOYSA-N 445.346 5.889 0 40 IKAB CCc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2[C@H](C)c2ccccc2)cc1 13121237 FCDYBSRFBNFXOQ-JPYJTQIMSA-N 435.593 5.633 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1OC 13769411 GJMCKONYJBLBDT-PXDATVDWSA-N 432.545 5.668 0 40 IKAB O=C(NCCCc1nc2ccccc2n1CCCCOc1ccccc1)C1CCCCC1 13828280 HPNBZKNHMPIWMQ-UHFFFAOYSA-N 433.596 5.525 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1ccccc1 13925099 YYXHIGLZRLQZAS-STZFKDTASA-N 433.891 5.662 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2cccc3ccccc23)CC1 17064734 WNJJMJIKOABPOZ-UHFFFAOYSA-N 440.465 5.027 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(C(F)(F)F)cc1)c1ccccc1 17206965 KVAWRQCNKOCICQ-UHFFFAOYSA-N 444.438 5.193 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCc5csc(-c6ccccc6)n5)(C4)C2)C3)cc1 18323631 FZTAOQMJARJZFS-LHUUVIGISA-N 443.612 6.700 0 40 IKAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)[nH]c12 19236542 GNAALCXOWYNDHV-LJQANCHMSA-N 426.520 5.424 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 20139919 MJHSYLDAVJWJKW-UHFFFAOYSA-N 440.666 5.866 0 40 IKAB Clc1ccc(-c2cc(CSc3nncn3CCc3cccs3)on2)c(Cl)c1 22188795 XJPPENFXKBGLAB-UHFFFAOYSA-N 437.377 5.836 0 40 IKAB Cc1c(C(=O)N(CCc2cccs2)Cc2cccs2)[nH]c2c1C(=O)CC(C)(C)C2 25847198 LYWQVAXQHJGCTJ-UHFFFAOYSA-N 426.607 5.486 0 40 IKAB CCc1ccc2oc(C(=O)Nc3ccccc3-c3nc(-c4ccc(C)s4)no3)c(C)c2c1 32622281 PKLWVRJIHVYXKU-UHFFFAOYSA-N 443.528 6.643 0 40 IKAB Fc1ccc(C(CCCSCc2cc(-c3ccco3)on2)c2ccc(F)cc2)cc1 32891490 QKKWOCRJYVARCU-UHFFFAOYSA-N 425.500 7.058 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3c(OC(C)C)ccc4ccccc34)C(O)=NC2=S)cc1 35352030 NLCHCWSNKQEFGN-PXLXIMEGSA-N 444.556 5.861 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 39767956 UYOOJZYPCAQAFV-QGZVFWFLSA-N 430.995 5.866 0 40 IKAB CCc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397445 VSORFTCQEYEXGH-UHFFFAOYSA-N 432.955 5.818 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2)cc1 44086014 KHLVOEBRCGTUGH-UHFFFAOYSA-N 429.545 5.587 0 40 IKAB COc1ccc(CN(Cc2nc(O)c3sccc3n2)[C@@H](C)Cc2cccs2)cc1 57688515 WUUNXNJMTWEFCW-HNNXBMFYSA-N 425.579 5.100 0 40 IKAB Cc1ccc(-c2csc3ncnc(N[C@@H](c4ccccc4)c4nnc(C)n4C)c23)cc1C 58378492 XIFWYYJELZHSMD-QFIPXVFZSA-N 440.576 5.614 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1 61997100 ARONUXIDASFNMO-UHFFFAOYSA-N 438.833 6.445 0 40 IKAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214469 JGGZGBVOVIXAOY-HXUWFJFHSA-N 425.529 5.317 0 40 IKAB CC[C@@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 78698956 WMOLOFFFDCNPFU-LJQANCHMSA-N 444.318 5.387 0 40 IKAB O=C(NCc1ccc(F)cc1F)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037741 WZYRTCXFLFXHEJ-UHFFFAOYSA-N 444.485 5.230 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5cccnc5)cc34)cs2)cc1 96154488 KFARIIWHJUFWAP-UHFFFAOYSA-N 440.528 5.294 0 40 IKAB COC(=O)CCc1ccc2c(c1)CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 217775875 RISAUKRBELGCBI-UHFFFAOYSA-N 441.527 5.494 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 220918029 GYVDLEVBWPJKPH-OAHLLOKOSA-N 436.512 5.027 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 223103705 DBEXEEYLQCJPTP-VWLOTQADSA-N 425.016 5.698 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223108217 OXNADHUMWSECIV-AWEZNQCLSA-N 439.353 5.565 0 40 IKAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223517091 PDDLVWUWTXSWJU-LJQANCHMSA-N 447.044 5.198 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C 223870797 NVPWWUJEEYMBHY-DQEYMECFSA-N 440.572 5.372 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 223879944 PSDOHFUPCKWKIZ-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(C)C)cc3)cc2C)cc1 224089867 PFRXEFAMOFYITO-UHFFFAOYSA-N 436.577 5.158 0 40 IKAB COc1cccc(OCc2cc(C(=O)NCc3ccc(Cl)cc3Cl)ccc2OC)c1 224250392 BEYYJXSRJOOBIH-UHFFFAOYSA-N 446.330 5.520 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224311291 MDWGCGWUIJFIGG-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C 224572606 ZNDFGINDDFKFFD-LJQANCHMSA-N 435.539 6.418 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCO4)o2)cc1 224919937 RABKBWUSAAOMTM-UHFFFAOYSA-N 428.444 5.388 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 224936064 XMAIWJGXKDOCNE-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc(OC2CCCC2)cc1 225369538 UHMZCLBIJVPEDQ-UHFFFAOYSA-N 439.021 6.020 0 40 IKAB Cc1ccccc1CN(C(=O)CC(c1ccccc1)c1ccccc1)[C@H](C)C(=O)NC(C)C 225491375 WIATYHVOEKYMJI-HSZRJFAPSA-N 442.603 5.459 0 40 IKAB COc1cc(/C=C/c2nnc(N)o2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 226338521 HSMODLRFDUFXJF-GORDUTHDSA-N 426.687 5.370 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)[nH]n2)c1 257242136 IBFZJKXVOMWAGI-XMMPIXPASA-N 442.519 5.032 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c(C)c1 408549549 ZVCIOZUKXGDSTK-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc1 408552561 QWHSMUQHYDQPOT-UHFFFAOYSA-N 438.549 5.091 0 40 IKAB CCCOc1ccc(CNc2ccc(Br)c(Cl)c2)cc1Br 408557771 OTRWJXXZDXCEKM-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB CCc1nc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)O)n[nH]1 408631432 IUBRTCAWVKLOJV-STZFKDTASA-N 431.517 5.317 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)cc3)n2)c1 408698509 QJWGQXROCFAQPS-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB CN(C(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 408977389 IPNUQNBUAUPSCF-UHFFFAOYSA-N 432.487 5.422 0 40 IKAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408998756 OEUWNHSSQKWAFV-DEOSSOPVSA-N 428.532 5.654 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1CC1CCCCC1 409132838 LXGHBPWOPOYPDS-XDHOZWIPSA-N 446.366 6.326 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 409138906 JOGMKAJJDQWSMT-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2cccc(C)c2)cc1 409142585 LXQGASNWKMGUCF-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB COc1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1Cl 409204593 AUVAMQYHPMUWPQ-UHFFFAOYSA-N 426.683 6.080 0 40 IKAB S=C(c1cn(Cc2ccc(Cl)cc2)c2ccc(Br)cc12)N1CCCCC1 409206831 LWFYOVRBQGAZHQ-UHFFFAOYSA-N 447.829 6.267 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)C1=O 409212257 PBOVHPKFIMAHCE-MOSHPQCFSA-N 433.932 6.285 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c1 409340924 CGEKYFGFFWLEQE-WSDLNYQXSA-N 447.560 5.514 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 1505534844 OFMWAWUPRBPOOI-BOSJPIGCSA-N 441.962 7.169 0 40 IKAB CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)N[C@H](C)c3ccccc3)nc21 659424 VRTVOYOXZRMDBM-OXQOHEQNSA-N 433.581 5.138 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1 906747 MWKXGNWTTJIFAB-UHFFFAOYSA-N 428.561 5.471 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)coc3c2)cc1 1807457 QNDJNFMNFPFSEZ-UHFFFAOYSA-N 444.483 6.111 0 40 IKAB biogenic COc1ccc(C(=O)Oc2ccccc2C2SCc3cc(C)c(C)cc3CS2)cc1 2060395 WWBHVEXNDKQRQY-UHFFFAOYSA-N 436.598 6.710 0 40 IKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@@H](c3cccc(Cl)c3)CC4=O)nc(C)c2c1 2344406 AREUNZWPHODSMI-QGZVFWFLSA-N 443.938 5.600 0 40 IKAB Cc1cc(C)cc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)c1 2402459 PLGNALLMVOIMMK-UHFFFAOYSA-N 432.571 6.964 0 40 IKAB CC1CCN(C(=O)COC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)CC1 2628108 AHLMHHKIURFXRC-UHFFFAOYSA-N 428.941 5.032 0 40 IKAB Cc1cccc(-n2c(S)nnc2COc2ccc3cc(Br)ccc3c2)c1C 2792386 QVWVBMQUVARACF-UHFFFAOYSA-N 440.366 5.668 0 40 IKAB O=C(CSc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1)Nc1nccs1 2933066 BKFCDSPABHTQFJ-UHFFFAOYSA-N 441.969 5.083 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 3012607 WUMOCZDSOZCCRD-RBUKOAKNSA-N 448.876 6.066 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)c(OC)c1 3242194 ARZDJOUCAAHXQY-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)CCSc1ccccc1)oc1ccccc12 3269465 QHURLJUYKMBMEV-UHFFFAOYSA-N 435.501 5.259 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)N1c2ccccc2Sc2ccccc21 3273230 XKXQPISHUCNYQS-UHFFFAOYSA-N 444.339 5.909 0 40 IKAB CCNC(=S)Nc1ccc(Cc2ccc(NC(=S)NCC)c(Cl)c2)cc1Cl 3332605 BNOXRSYYZKMILM-UHFFFAOYSA-N 441.453 5.197 0 40 IKAB Cc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)CC(C)(C)C)ccc3c2=O)cc1 4290951 NESZXUPGRSRYJW-UHFFFAOYSA-N 434.410 6.254 0 40 IKAB CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 4522137 PMASXNUKPUBJRT-OAHLLOKOSA-N 438.578 5.749 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5275434 XCDQFROEGGNAER-VJNNSVQKSA-N 428.745 8.249 0 40 IKAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(Cl)c1-c1ccc(C)cc1 6142585 RWWZGFBXSXFCSD-UHFFFAOYSA-N 434.989 5.224 0 40 IKAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1nnc(-c2ccccc2)o1 8720223 ZOXHZDPTICVSSH-LBPRGKRZSA-N 427.327 5.743 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccc2noc(-c3ccccc3)c2c1 8753757 AHAJKGRIZDUBTB-UHFFFAOYSA-N 445.931 6.448 0 40 IKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)cc1Cl 8781959 YOSJRCUXNBJDCK-UHFFFAOYSA-N 439.129 6.054 0 40 IKAB Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc(C)c1Cl 8832445 MXMTVWRRKCSQRX-CQSZACIVSA-N 449.016 5.286 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 8922068 FRHLCAYCXZYLFD-HHHXNRCGSA-N 447.962 5.779 0 40 IKAB Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3ccc(F)cc3)c12 9129678 CHYVNEJWRCWOEY-UHFFFAOYSA-N 432.403 5.164 0 40 IKAB COc1ccc(Oc2c(C)n[nH]c2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 9130701 XWNUDNUTSLUTNI-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4csc(-c5ccsc5)n4)C3=O)ccc2c1 9315441 JNNFCNJQSIUQIP-QHCPKHFHSA-N 449.557 5.001 0 40 IKAB Cc1cccc(-n2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2C(F)(F)F)c1 9377921 RRYAPRDUSQASQR-UHFFFAOYSA-N 429.320 5.350 0 40 IKAB Clc1ccc(-c2ccc(C3=Nn4c(Cc5ccccc5)nnc4SC3)o2)cc1Cl 9594006 ZMXBXRMMXLONEO-UHFFFAOYSA-N 441.343 5.794 0 40 IKAB Clc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 9622576 SLNPRGANMFBNGV-UHFFFAOYSA-N 440.938 5.867 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(OCC(C)C)cc4)cc3)oc2cc1C 10120430 CTFOARLESTYIJN-UHFFFAOYSA-N 428.532 6.076 0 40 IKAB Cc1c(CC(=O)N2CCCCC2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 11867598 WPWBCEXJURUYHG-UHFFFAOYSA-N 435.907 5.723 0 40 IKAB Cc1sc2nc(CN3CCCCC3)nc(Sc3nc(-c4ccccc4)n[nH]3)c2c1C 12740759 KUCDAVZCAZNHAD-UHFFFAOYSA-N 436.610 5.230 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)c1 12760930 WQOVVMZNYVOBKT-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB CC[C@@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 12796993 OXYVGMZCIVUXNL-GFCCVEGCSA-N 425.381 5.281 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 12910684 JCUNTIYPDUOFSQ-HXUWFJFHSA-N 438.531 5.017 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)c1 13025901 XJPAIUDTGMHQEY-XMMPIXPASA-N 432.520 5.044 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 13127717 BBMONSJWZMLHRB-QFIPXVFZSA-N 438.549 5.025 0 40 IKAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)OCCO3 13503644 VVZCREIAOKBJGJ-UHFFFAOYSA-N 448.466 5.318 0 40 IKAB Cc1ccccc1OCCCn1c([C@H](C)c2ccc(CC(C)C)cc2)nc2ccccc21 13659058 KRCIVRSCWDMSLF-HSZRJFAPSA-N 426.604 7.164 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1c(Cl)cccc1Cl 13717009 AJRSWNBYWVLUHJ-UHFFFAOYSA-N 444.427 6.565 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c(C)c1 14664027 CWLQSRKEDGFICE-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2csc(COc3ccc(C)cc3)n2)sc(C)c1C 14680356 SGZHUJMOSXAAFK-UHFFFAOYSA-N 444.578 5.067 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 14709861 HRLJIEIYIXYMFZ-UHFFFAOYSA-N 428.305 5.213 0 40 IKAB CCc1cccc(CC)c1-n1c(SCc2ccc(Br)cc2)nc(O)cc1=O 16045708 APLLPOFXAYUBDU-UHFFFAOYSA-N 445.382 5.118 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2ccc(F)cc2)cc1 16309863 LSGVCGYFTIOQNC-UHFFFAOYSA-N 448.519 5.121 0 40 IKAB Cc1cccc(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)c1C 16768938 KFIJKZVPHGUENM-UHFFFAOYSA-N 438.336 5.347 0 40 IKAB CCCC(=O)N1N=C(c2cccs2)Sc2c1nc(-c1ccccc1)n2C(=O)CCC 16777660 OPADLEVLDVWKAN-UHFFFAOYSA-N 438.578 5.653 0 40 IKAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Cl)c1Cl 16899425 YXQKNPHFGXXNAR-CYBMUJFWSA-N 435.254 5.454 0 40 IKAB NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc3ccccc3o2)C1 19376268 HDBNHBICRSVPKI-SANMLTNESA-N 444.556 5.112 0 40 IKAB COc1ccc(-c2nc(-c3cc4cc5c(C(C)(C)C)coc5cc4oc3=O)cs2)cc1 20721421 JDMXJTSWTVIEDP-UHFFFAOYSA-N 431.513 6.636 0 40 IKAB Fc1ccc(COc2ccc(Cl)cc2CNn2c(-c3ccccc3)n[nH]c2=S)cc1 22110238 WHFPDEMLJPXUDZ-UHFFFAOYSA-N 440.931 5.723 0 40 IKAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 23410493 URIUZPZKVODFIY-QLXKLKPCSA-N 437.499 5.241 0 40 IKAB Cc1ccc(CN(C(=O)c2oc3ccc(Br)cc3c2C)c2ccccn2)cc1 27663215 FYIZJZZBWNKQDA-UHFFFAOYSA-N 435.321 6.054 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)c3oc4cc(C)c(Cl)cc4c3C)cs2)cc1 27993828 NBBRFNBHEZNYIT-UHFFFAOYSA-N 440.952 5.808 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 30938722 MSJIAOFWUFPSEO-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB Cc1ccc(S(=O)(=O)c2ccc(CSC3=Nc4ccccc4CS3)cc2)cc1 32329420 QHUIMGVCEXEWTO-UHFFFAOYSA-N 425.600 5.996 0 40 IKAB COc1cccc(Cn2cnc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 35400271 PPTMNXFGKKJGCI-UHFFFAOYSA-N 429.907 5.110 0 40 IKAB COc1cccc(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400294 CDAQSRHLUZCCOJ-UHFFFAOYSA-N 429.907 5.110 0 40 IKAB Cc1ccc(S/C(=C/Cl)CSc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 36625364 AMPPSGBDTDFKMW-GXDHUFHOSA-N 435.039 6.136 0 40 IKAB CN(C(=O)/C=C/c1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)c1ccccn1 40134796 RACCLADVNPHGKG-SDNYCIMKSA-N 430.857 6.015 0 40 IKAB COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1OC 40485602 UREAEJLEZOGLQW-XMMPIXPASA-N 449.934 5.453 0 40 IKAB Clc1ccc2c(SCc3csc(C45CC6CC(CC(C6)C4)C5)n3)ccnc2c1 55104344 RSISEYUAVJCALR-UHFFFAOYSA-N 427.038 7.105 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 57488567 WPVAYNLZLJPZBF-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1C 71327650 YZIOMKMHYCOTQZ-UHFFFAOYSA-N 441.021 6.263 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cc(C)ccc2C)cc1 71328043 PHMRUQCEOXWGJO-UHFFFAOYSA-N 437.609 5.792 0 40 IKAB Cc1c(-c2nnc3sc(C(C)(c4ccccc4)c4ccccc4)nn23)oc2ccccc12 96194289 PTZQUZXWFLPEMB-UHFFFAOYSA-N 436.540 6.262 0 40 IKAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 100200959 MRUOIWLNCJRXQQ-CDORBJOZSA-N 445.518 5.313 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 100364876 QGKBSHAUAIEERO-SMOZNVCYSA-N 438.666 5.153 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C34C[C@@H]5C[C@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100490164 PJZINXFVGMETRK-WWJCJQDFSA-N 437.583 6.737 0 40 IKAB C[C@@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)[C@H]1C[C@H]2CC[C@H]1C2 102271463 ZPNRQRGEAVQHPL-VXEMUYFQSA-N 441.596 6.084 0 40 IKAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@H]2C(=O)O 102643515 NGZQPIDJKGPPTM-JYWFKMLOSA-N 438.593 5.739 0 40 IKAB COc1ccccc1C(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@H]1c1ccco1 102680534 AHAKRYMTYTYSOB-IVCQMTBJSA-N 428.488 6.004 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 209940858 DANVKGKAPIZZNV-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 218884177 NCCMBYFATQJUBP-UHFFFAOYSA-N 448.357 5.249 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222952018 BLMXKUDMOBEOEE-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223217908 OETZKSCNLVRKMJ-JOCHJYFZSA-N 429.004 5.303 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1C(C)C 223369868 FOSORHGZAZOTHK-OAHLLOKOSA-N 440.436 6.544 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 223888399 YZCXZLRFDLZEQK-DNQXCXABSA-N 431.609 5.078 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c(Cl)cc1Cl 223975924 KDWRMHOAOFEUKE-UHFFFAOYSA-N 428.816 6.149 0 40 IKAB CC(C)Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223979524 VUNHCTDMDULIQX-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CN2CCCc3ccccc32)cc1 224329610 QKTZYXJWIVBOIV-UHFFFAOYSA-N 432.523 6.791 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224440177 BDTRHVVDTOUEEU-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc2ccccc2c1 224645974 GWGXXKWMTFZHHR-UHFFFAOYSA-N 443.568 6.792 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224726513 LWPBVXKODQOVOT-QFIPXVFZSA-N 434.624 5.356 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c(Cl)c1 224997993 DRXUPEWAHOUNOG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225016112 CDGHZFJRXVNEPA-LEWJYISDSA-N 426.626 5.118 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)ccc1C 225123671 JXGWJRPBLADBBS-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225133854 YMAXOKACLUWRBT-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccccc3Cl)cs2)cc1 225251560 QEFGXEDEWZMASZ-XDHOZWIPSA-N 443.981 5.736 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 225548938 BMINWRUFGBTQBZ-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225550233 CPTKDIGLEVXHNU-GJZUVCINSA-N 436.640 5.773 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)cc1 225556257 MHUFBFLZSQAIDR-GOSISDBHSA-N 433.017 5.073 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225642794 SQQKDWOIYDRXEP-QGZVFWFLSA-N 435.395 5.176 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225678061 LYVYTTSMLSCIFU-MRXNPFEDSA-N 428.907 6.256 0 40 IKAB Cc1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1N1CCCC1=O 225869517 GKAIBEZKZLNTGP-UHFFFAOYSA-N 428.001 5.531 0 40 IKAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCCC3)n2)CC1 226010308 NWQZDCRJVDJJTI-UHFFFAOYSA-N 439.629 5.514 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 248153566 CIBZZCQOXBLLDK-RYQLBKOJSA-N 426.527 5.113 0 40 IKAB Cn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c2ccccc21 257272951 NEOPVZPRQGBNKS-SANMLTNESA-N 449.520 6.520 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@H](c2ccc(Cc3cccc(C)c3)cn2)C1 257277798 NZKHDTLEEMVUKD-VWLOTQADSA-N 428.576 5.328 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4cccc5cnccc45)CC3)CCOCC2)cc1 257313551 UTCPGKOMQCIAHG-HSZRJFAPSA-N 442.603 5.463 0 40 IKAB CN(C)c1nc2ccccc2cc1CN1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 257339226 ZAUHRCYZGPMROK-HHHXNRCGSA-N 440.566 5.763 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 260771984 MCODFFANQSAFPS-KBJGYGKASA-N 438.021 6.476 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 408558792 VTHQKWIXHZAJBG-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)ccc1Cl 408599713 JMPAQLBARSOXPD-UHFFFAOYSA-N 446.963 5.898 0 40 IKAB COc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971099 MBLJQNLIDGHBEJ-UHFFFAOYSA-N 441.742 5.146 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c(C)c1 409117779 MWRXLTMEMYSENA-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Clc1ccc(COc2c(Cl)cc(Cl)cc2CNc2ccccc2)c(Cl)c1 409122291 XIWNZISFDSVPCY-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CC1CCCCC1 409133388 TVBQQHXKGNTOMJ-ODLFYWEKSA-N 436.360 6.870 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2CC)cc1 409341243 AITRVIOVMXFURT-UHFFFAOYSA-N 438.597 5.095 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccc(Cl)cc2)cc1 409381383 LWFVJAXDPSVGMQ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)cc1C 877848 LYOMGMLTHSMEKY-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccc2c(c1)N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 898793 UTWNFSABPYMNDS-UHFFFAOYSA-N 427.616 6.429 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901564 UMEXZJCJJUGNAP-UHFFFAOYSA-N 439.484 5.353 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(Cl)c1 1341555 ORNKNVFQCSXOAX-HSZRJFAPSA-N 436.939 5.770 0 40 IKAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)C1CCCCC1 1363189 ZMAWWCUGYJCPTM-UHFFFAOYSA-N 435.955 5.494 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1 2078799 WFCKVOBMPJKOSJ-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2233489 WSAUPTDJSFTNET-AWEZNQCLSA-N 440.421 5.970 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 2366653 CTUMMESNLVRHKF-ABAIWWIYSA-N 446.400 6.281 0 40 IKAB COc1ccc2ccccc2c1[C@@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC(C)C 3102025 QGJWMXIVHLJMKM-RUZDIDTESA-N 444.531 5.341 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccccc3Cl)cc(OCc3ccccc3Cl)c12 3218339 NROQUMNZZBRPTA-UHFFFAOYSA-N 441.310 6.566 0 40 IKAB CCc1ccc(OCc2nnc(SCc3cccc(C(F)(F)F)c3)n2CC(C)C)cc1 3297114 UHADLMKPKNAQTM-UHFFFAOYSA-N 449.542 6.387 0 40 IKAB COC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 3433372 RKXKASKAYKVXIN-UHFFFAOYSA-N 442.540 5.753 0 40 IKAB aggregator CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4073273 WAIQWYALYSCYLA-RHWATKQMSA-N 426.729 8.455 0 40 IKAB biogenic CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 6134460 DTSHWRJKTPTLRP-LJQANCHMSA-N 429.495 5.143 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)N1CCCCCC1 8641577 LKOSSCSAXRNEAL-UHFFFAOYSA-N 426.973 5.082 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 8832334 JIFWCEDOBULBLV-CSKARUKUSA-N 443.330 6.500 0 40 IKAB CCCc1oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc2c1C(=O)OCC 8870339 RCVJTWWMDQSEHQ-UHFFFAOYSA-N 435.929 5.325 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c(C)c1 8961461 GDMNWPMQJPETFC-UHFFFAOYSA-N 436.533 5.103 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9129068 OGRGWZQTNPMHTH-UHFFFAOYSA-N 449.601 5.779 0 40 IKAB COc1ccc([C@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1OC 9288485 XSWBGWDILKLQHE-XMMPIXPASA-N 440.503 5.090 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@@H]2c2ccccc2)cc1 9679559 OBGZYVXSURWPCK-QFIPXVFZSA-N 429.501 5.065 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9712226 VZQSZVTUNXBSMA-UHFFFAOYSA-N 435.578 5.038 0 40 IKAB O=S(=O)(Nc1ccc(-c2ccc(N3CCCCC3)nn2)cc1)c1ccc2ccccc2c1 9714680 SUEKNUMDLXFWDA-UHFFFAOYSA-N 444.560 5.088 0 40 IKAB CC(C)Cn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1F 9725433 RDDFFUKJLUIYLE-UHFFFAOYSA-N 443.935 5.736 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccc(C)cc3c2=O)cc1 9855747 IBWNOAKGWQVWNJ-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB CCc1ccc(-c2cnc(Nc3nc(C)cc(C)n3)n2-c2ccccc2Br)cc1 10075606 XFCOBKSYKCAIDU-UHFFFAOYSA-N 448.368 6.015 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1NS(=O)(=O)c1ccccc1 10314754 OKRZMVQDAVVURD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(=O)c1ccc(C(=O)N(CCCn2ccnc2)c2nc3c(C)cc(C)cc3s2)cc1 10583940 XCUGQYYERADOKW-UHFFFAOYSA-N 432.549 5.049 0 40 IKAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(Br)ccc4c3C)n2)cc1 12111373 TWNDHVKDYWXLCL-UHFFFAOYSA-N 444.310 5.283 0 40 IKAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc2n1 12257694 SVMDUHPVAHGFCC-AWEZNQCLSA-N 448.514 5.017 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc3ccccc23)cc1 12623574 MDNCPAREZZJWRZ-SANMLTNESA-N 436.511 5.605 0 40 IKAB Cn1c(-c2ccccc2)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c2ccccc21 12640563 ICNWCUGIGXMNDC-UHFFFAOYSA-N 425.535 7.569 0 40 IKAB O=C(Cc1csc(-c2cccc(Br)c2)n1)NC12CC3CC(CC(C3)C1)C2 12796663 ALCUPGKOWXWTAT-UHFFFAOYSA-N 431.399 5.200 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 12855233 MARCUEURXRGTQB-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB COc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3ccccc3-c3ccccc3)n2)cc1 12886691 RKEBKSCLAYPWTN-UHFFFAOYSA-N 439.515 5.005 0 40 IKAB COc1ccc(/C=C(\Cl)c2nc(O)c3cccc(C)c3n2)cc1OCc1ccccc1 12921996 DCFXYBNCZGIWNH-MOSHPQCFSA-N 432.907 5.968 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)c(C)c1 13110162 UIHPHCYLOATUBE-UHFFFAOYSA-N 434.540 5.498 0 40 IKAB c1ccc2c(SCc3ccc(CSc4ncnc5ccccc45)cc3)ncnc2c1 13145740 PDXSKEDFWPTOCN-UHFFFAOYSA-N 426.570 6.158 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccsc3)c(-c3ccsc3)n2)cc1 13568451 RUDQBUHGKIMAOF-UHFFFAOYSA-N 425.560 5.312 0 40 IKAB CCCCCCn1c([C@H](Cc2ccccc2)NC(=O)c2ccccc2)nc2ccccc21 13598528 HMUFVQXYNJTJQT-VWLOTQADSA-N 425.576 6.330 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC 15016766 CKEJMSPMXUACNS-VGOFRKELSA-N 426.925 5.661 0 40 IKAB O=C1C[C@H](c2ccc(OC3CCCC3)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15083288 VTVLJCXAAIAABQ-LJQANCHMSA-N 433.529 5.909 0 40 IKAB COc1ccc(CNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 15277063 FVWSECGHJKFOLN-UHFFFAOYSA-N 435.574 5.084 0 40 IKAB CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)cc1 15355134 JGGDSXQRVJRGLN-UHFFFAOYSA-N 443.543 5.619 0 40 IKAB CC(C)CCN1CC(=O)N2[C@@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 16042464 ZFLYROOQBJFYQF-SQHAQQRYSA-N 443.591 5.022 0 40 IKAB biogenic O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccc(Br)cc1 16525129 FGRORKIQBADAFJ-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 16788955 OOEUIFWPWTUIBX-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 17097773 SQBJXQOCGUDNOD-UHFFFAOYSA-N 431.989 5.102 0 40 IKAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17099387 XACXAQQPOXWATA-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB O=C(COc1ccc2ccc(=O)oc2c1)N1c2ccccc2SC[C@H]1c1ccccc1 17674025 JANILIYIUMYHSQ-NRFANRHFSA-N 429.497 5.052 0 40 IKAB O=C1[C@H](C2CCN(Cc3ccnc4ccccc34)CC2)CC=CCN1CCc1ccccc1 19698495 JNLDRKROPUFNGK-MHZLTWQESA-N 439.603 5.094 0 40 IKAB C[C@@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1 19748827 PWABXRFDUAJKDB-MRXNPFEDSA-N 444.501 5.061 0 40 IKAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccc(C)cc3)s1)=C2 19809927 YSUDUHXPVSYEGE-UHFFFAOYSA-N 438.936 5.633 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 20005099 XNHHCAYTVYULMV-IBGZPJMESA-N 449.601 5.483 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1 20061809 RSYCXZZHSYGDHM-UHFFFAOYSA-N 428.598 5.011 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)nnc2c1-c1ccc(Cl)cc1 20672672 BPCXKYFOOIBMMS-UHFFFAOYSA-N 426.307 5.221 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl 20715480 YAPQLHBAVCHXQP-INIZCTEOSA-N 431.279 5.037 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 25038171 HPTSNICHLTWGRU-HSZRJFAPSA-N 428.517 5.036 0 40 IKAB CC(C)Cc1noc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 25057780 IZSOVXXGCHFHBF-UHFFFAOYSA-N 439.610 5.047 0 40 IKAB CS(=O)(=O)c1ccc(F)c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c1 29599668 LJZLGCYKBQYHRC-YRNVUSSQSA-N 435.929 5.263 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 30755365 BZUBYXPMGWSXCO-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)n2)cc1 32623854 VASXSBJXFWGPKV-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCCSc4ccccc43)cccc2c1=O 32675978 HLZGUOXAGXSIDI-UHFFFAOYSA-N 427.525 5.911 0 40 IKAB CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@H](C)C(=O)O 33637022 STCSWZPJESBYAV-NHCUHLMSSA-N 428.610 6.052 0 40 IKAB Nc1c2c(nc3c1c(-c1ccccc1)c(-c1ccccc1)n3Cc1ccccc1)CCCCC2 34847911 OEYZGSCBSDRXBZ-UHFFFAOYSA-N 443.594 7.270 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(OCC)c2)cc1 34869200 QBILRZKEOIADCC-UHFFFAOYSA-N 434.536 5.422 0 40 IKAB O=C(Cc1csc(NC(=O)c2ccsc2)n1)Nc1ccc2c(c1)Cc1ccccc1-2 38739666 CJWCBXZNVLJFLF-UHFFFAOYSA-N 431.542 5.209 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccc(F)c(Cl)c3)cnc2c1-c1ccc(F)cc1 38829732 HUEJEDOYWVHOBP-UHFFFAOYSA-N 442.853 5.035 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 39763177 IKDPBZYZFWNVSF-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ccc(Cn2ccccc2=O)cc1 40134835 YCMCLRCKDBCYML-UHFFFAOYSA-N 435.936 5.234 0 40 IKAB CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2c(Cl)cccc2Cl)C1 44803540 VXBDXLZJNVZLDU-CQSZACIVSA-N 445.350 5.190 0 40 IKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Cl)c(C(F)(F)F)c1 49005557 NKAGSGXEEROXND-UHFFFAOYSA-N 436.865 5.836 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl 57317051 VKESUNDKMLOVJJ-UHFFFAOYSA-N 425.109 5.946 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 57774793 MUQTZNFKVHLTEF-PGRDOPGGSA-N 448.438 6.037 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 61967349 LBMQWGLSKLHDSA-FFYRRMKRSA-N 445.606 7.163 0 40 IKAB CCn1c(=O)c(C)nc2cc(C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)ccc21 65575365 ZXXCBVIEMIIXBP-UHFFFAOYSA-N 438.940 5.062 0 40 IKAB CCN(CC)[C@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 94992819 LZPZYCHKMQINBO-XMMPIXPASA-N 433.596 5.760 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 100503877 ZNCTWZQIKCQSOU-YWUUFRFPSA-N 433.507 5.119 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc2c(c1)OCO2 102969909 ZTSRWDCYWYGWBV-SANMLTNESA-N 446.547 6.398 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)ccc1OC 214859360 YSABXFFSKZPFOM-VCHYOVAHSA-N 438.332 5.637 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 222460565 RZKODXACURNOPD-QFIPXVFZSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222504134 SBUSQRDWPZMUIT-NRFANRHFSA-N 435.395 5.176 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222711593 HKDNQOMSLDDVJR-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl 223365929 CKXYGUPVXBTYFQ-LJQANCHMSA-N 441.786 5.133 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C 223549865 ARHYMFFZYJUQBK-LOSJGSFVSA-N 439.588 5.057 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCCCC2)nc1 223979429 RKIZCJKLTPBXKG-UHFFFAOYSA-N 443.060 5.914 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 223993695 KCMLOELPVFSQAP-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1Cl 224157902 SVTZLIQIAAAOBN-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224212618 MPETWAZVLGEHBD-INIZCTEOSA-N 427.903 5.866 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)cc1C 224229007 ZOEHBIFPXNXYAY-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 224307589 DHMRKNOWWWDAGQ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224911180 RZJFYWMNFNYFNX-UHFFFAOYSA-N 428.444 5.056 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224931372 RWRJJUCSRILPOO-UHFFFAOYSA-N 442.515 6.149 0 40 IKAB Cc1cc(C(=O)Nc2ccc(N3CCCCC3)cc2)ccc1NS(=O)(=O)c1ccccc1 224957876 VWYHLUXAGKIWCX-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB COc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c(OC)c1 225339097 IDELGUHPPBNTSX-UHFFFAOYSA-N 431.517 5.071 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225529464 CIIVZNRIASYRRR-ZJSXRUAMSA-N 440.653 5.508 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225577918 SIMAVXQJGBDXRY-UHFFFAOYSA-N 449.275 6.002 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2ccccc12 225752973 KMJDYEHYPCJGCN-UHFFFAOYSA-N 442.386 7.386 0 40 IKAB CC(C)Oc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)cc1 225944055 TZYWDUOKDLZVMY-UHFFFAOYSA-N 449.594 6.836 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cccc3ccncc23)C1 257312134 UMQCATJQEBKMSV-JOCHJYFZSA-N 436.555 5.084 0 40 IKAB Cc1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670631 YCGQDGMBUNHQAX-JUJAOGAQSA-N 434.322 5.093 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)cc1 408696275 ZDLGFMMUFYGRSZ-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1cccc(Cl)c1 408697389 GXVSPAWRUGEVAD-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2sc3ccccc3c2Cl)N1c1ccc(F)cc1 408844515 UAWBZJXFSVUPAW-QGOAFFKASA-N 433.895 5.923 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(OCC)c2)cc1 409109340 BXLGMIHPTAYTKW-UHFFFAOYSA-N 427.544 6.828 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNc2ccccc2Cl)c(Cl)c1 409177507 GGSXXNONDMRTTJ-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)cc1 409202831 SXIUMIJMRODHKC-UHFFFAOYSA-N 436.625 5.098 0 40 IKAB CCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409235317 ZPIAWHPBIHCAJA-RGVLZGJSSA-N 445.371 6.443 0 40 IKAB CC(C)CNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCCCCO2 643579875 IWHJOFSPDWOYSZ-UHFFFAOYSA-N 434.624 5.580 0 40 IKAB O=C1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646741 SBAQVZIFIAJALR-VXKWHMMOSA-N 432.589 5.665 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccc(F)cc1)CO2 1615526410 RDSHFAGDPAVMTA-RUZDIDTESA-N 445.534 5.187 0 40 IKAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)n21 882896 SSYBYYWZRRQASW-UHFFFAOYSA-N 433.364 5.274 0 40 IKAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1C 1096004 VUKHZBPXOQSVIA-VWLOTQADSA-N 441.531 5.261 0 40 IKAB O=C1N=C(O)/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1ccc(O)cc1 1175013 JXEMWYVBDYRLFO-UYRXBGFRSA-N 448.862 5.131 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](C)Oc1ccccc1OC 1302338 JMGQBFSWTHWOHX-OAHLLOKOSA-N 425.506 5.006 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5nccs5)c(N)c24)CCCCC3)cc1 2378059 YTRRMTGUTAMHDU-UHFFFAOYSA-N 434.590 5.832 0 40 IKAB CSc1nc(SCCO)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2448956 KUMSHEBISOKKSK-UHFFFAOYSA-N 425.604 5.202 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2Cc2ccco2)cc1 2454347 WNYGBTCASCUCNL-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Cc1sc2nc(SCC(=O)Nc3ccc(F)cc3)n(C3CCCC3)c(=O)c2c1C 2636925 XKKZAJBVCKEPDB-UHFFFAOYSA-N 431.558 5.060 0 40 IKAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2704199 FIVCGPWENNEYAH-FQEVSTJZSA-N 432.501 5.178 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2749724 BMTHLSUCWLDVFF-UHFFFAOYSA-N 436.402 6.065 0 40 IKAB COc1ccc(Br)cc1C1N(c2ccc(C)cc2)CCN1c1ccc(C)cc1 3090083 WQIBTGFWYXRKQE-UHFFFAOYSA-N 437.381 6.100 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccccc1Br 3140385 AVYNDWNLYQJPNU-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3396496 ILZOEIUQMLNYIN-UHFFFAOYSA-N 428.561 5.556 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)CCC4)n2-c2ccccc2)c1 3420348 DKOIBWLLEZGVOM-UHFFFAOYSA-N 440.572 5.462 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(Cl)c2)o1 3883007 OWUDHTWXYQREAW-SFHVURJKSA-N 445.972 5.824 0 40 IKAB COc1ccc(CN(CC[C@@H]2CC(C)(C)OC[C@@H]2c2ccccc2)C(C)=O)cc1OC 4616540 KWLNJGMDUQTJML-DHIUTWEWSA-N 425.569 5.041 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)NCc3ccccc3)cnc2n1Cc1ccccc1 4848155 XXDXLHAZTUPDMY-UHFFFAOYSA-N 427.552 5.452 0 40 IKAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 8480736 AEXGPJORHBNABO-QHCPKHFHSA-N 428.576 5.005 0 40 IKAB Cc1cc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)ccc1Cl 8606454 WRNNDIBOYHZRFW-UHFFFAOYSA-N 439.987 5.316 0 40 IKAB aggregator Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)Nc2ccc(Cl)cc2)C1 8636075 XXMJCUCMOPNOOY-NFBKMPQASA-N 448.998 6.500 0 40 IKAB biogenic,in-vitro O=C1N[C@H](c2ccc3ccccc3c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8722576 NUTNAYUGESEVSS-DEOSSOPVSA-N 425.557 5.314 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)OCc1nnc(-c2ccccc2Br)o1 8883870 SJWDBITZRSJYMV-UHFFFAOYSA-N 440.297 5.047 0 40 IKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 8892241 IVJJGZOLFKHUCU-UHFFFAOYSA-N 436.555 5.978 0 40 IKAB O=C(Oc1ccc2c(OC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc2c1)[C@H]1C[C@H]1c1ccccc1 8935049 VCVLKSXOJNCUEV-YYGZZXRFSA-N 448.518 6.258 0 40 IKAB NC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 9053908 CNFUHOJDONRQOV-UHFFFAOYSA-N 446.304 5.016 0 40 IKAB COc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 9064836 DKSHHXIQRKGGER-VQHVLOKHSA-N 447.343 5.788 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1 9120203 GBLPCJSRDVYNJY-UHFFFAOYSA-N 431.495 5.229 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1OC 9192880 PMMONKVHMNNGSI-UHFFFAOYSA-N 436.895 5.699 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cccc(Cl)c1Cl 9283337 YSIOXPZRJNJUSG-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB O=C(Cc1ccccc1)c1ccccc1NS(=O)(=O)c1ccc2oc3ccccc3c2c1 9526082 AINUBPNOXWUUJI-UHFFFAOYSA-N 441.508 5.812 0 40 IKAB Clc1cccc(-n2c(SCc3coc(-c4cccs4)n3)nnc2N2CCCC2)c1 9780345 NGOUSTHLGCOEOP-UHFFFAOYSA-N 443.985 5.530 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 9984145 WBJOPLOLIZVZIN-UHFFFAOYSA-N 432.952 5.303 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(c1nccs1)C3=O 10233036 RZAVJRIVORZFKG-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB Cc1nc2c(c(C3CCN(C(=O)c4cccs4)CC3)nn2Cc2ccccc2)c(C)c1C 12188470 RFEKZTTYZCYYQE-UHFFFAOYSA-N 444.604 5.486 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 12249967 ZKKINZBIBPQBKA-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB O=C(N(c1ccccn1)c1ccccn1)C12C[C@H]3C[C@@H](C1)CC(c1ccc(Cl)cc1)(C3)C2 12558956 APSVMSHNBSRVJX-YDXVBCDDSA-N 443.978 6.333 0 40 IKAB CCCCCCn1nc(C(=O)OCc2ccc(Br)cc2)c2ccccc2c1=O 12621170 FTLXXLZGODMGFI-UHFFFAOYSA-N 443.341 5.096 0 40 IKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCC[C@@H]1c1cccs1 12681174 MOXOAZVNXMKJJG-JOCHJYFZSA-N 436.527 6.471 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccccc3)o2)cc1 13117068 DCHPKZAYTJCZIX-UHFFFAOYSA-N 437.546 5.132 0 40 IKAB COc1ccccc1N(Cc1nc2ccccc2s1)S(=O)(=O)c1cccc(Cl)c1 13138107 TUUMVDHXUFTIMB-UHFFFAOYSA-N 444.965 5.354 0 40 IKAB O=C(CN1CCCCCC1)Nc1sc2c(c1C(=O)c1ccc(Cl)cc1)CCCC2 13503373 ZPEXYDNAGPTEFD-UHFFFAOYSA-N 431.001 5.326 0 40 IKAB CCCCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(C)cc2)cc1 14135459 YQCAVBJUDSCGKK-UHFFFAOYSA-N 442.625 5.300 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2c1 14272203 FNXKTIMWRLREBH-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB O=C1C[C@@H](c2ccc(OC3CCCC3)cc2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15083291 VTVLJCXAAIAABQ-IBGZPJMESA-N 433.529 5.909 0 40 IKAB Cc1ccccc1-n1c(SCc2nc(-c3ccsc3)no2)nnc1-c1cccnc1 16072171 FILOMYBZSLKWCV-UHFFFAOYSA-N 432.534 5.042 0 40 IKAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 16688471 LKQIOXUDTJLDCZ-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17098335 ZGVYHVZETBQTFZ-UHFFFAOYSA-N 433.331 6.673 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 20450676 HOFGJSSJAKOIRQ-UHFFFAOYSA-N 432.567 6.159 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20459337 VVRXIXBVJKDERA-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20609889 BWDFYBPXGONQCA-UHFFFAOYSA-N 432.842 5.725 0 40 IKAB CCOC(=O)c1scc(-c2ccccc2)c1S(=O)(=O)Nc1cc(Cl)ccc1C 23126970 XCLDEPQNUZUXNA-UHFFFAOYSA-N 435.954 5.354 0 40 IKAB CCN(C(=O)COc1ccccc1OC)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993046 SCMFDWZGSLUELK-MHZLTWQESA-N 428.532 5.502 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)NCCSc1ccc(Cl)cc1 28018666 GFGJGGCJDWSSGB-UHFFFAOYSA-N 433.986 5.154 0 40 IKAB CSCC[C@@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1nc2ccccc2[nH]1 32990910 JTPLRXYXNZWYSE-MRXNPFEDSA-N 442.635 5.209 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Br)c(C)c2)c2c(C)nn(-c3ccccc3)c2n1 36617037 ACHZNTLQURUSPC-UHFFFAOYSA-N 435.325 5.361 0 40 IKAB O=C(C1CCN(Cc2ccccc2Cl)CC1)N(Cc1ccccc1)Cc1ccccc1 39767761 KDVBBNCQWISBQH-UHFFFAOYSA-N 432.995 5.781 0 40 IKAB CN(C(=O)NCCC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1ccccn1 40135592 NCFDZWFYSGNEAR-MUUNZHRXSA-N 435.571 6.035 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2scc(-c3cccc(C)c3)c2-n2cccc2)c1 64472508 GLUAWCFWGGPDTQ-UHFFFAOYSA-N 430.529 5.943 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)[C@H]3CC=CCC3)CC2)c1 72345315 QKRIYDXDFGFKOW-DEOSSOPVSA-N 444.619 5.258 0 40 IKAB O=C(O)C/C(=C/c1cn(-c2ccccc2)nc1-c1cccnc1)c1nc2ccccc2s1 96767468 ZSRKARWLJMJBMM-AQTBWJFISA-N 438.512 5.559 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccc(Cl)cc1)N2)c1ccc(F)cc1 100891430 FBOXTCORMNLVAT-NRFANRHFSA-N 445.885 5.379 0 40 IKAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 101119523 FUYDJJRFPJQRSP-VWLOTQADSA-N 445.522 5.859 0 40 IKAB Cc1ccc([C@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 103764444 HHLNZTCUJCWUDB-XMMPIXPASA-N 437.370 7.003 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 108059564 OCGLHUHOHUQGRQ-UHFFFAOYSA-N 447.918 6.545 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958857 FEGIODQEQKCSOY-HSZRJFAPSA-N 426.604 5.941 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 216258663 OFMXAZJYJHEJFP-OAQYLSRUSA-N 431.001 5.912 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 222695500 GMNNEBVNGQMTOH-NRFANRHFSA-N 435.395 5.176 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 223016242 QFWAKVRUPNQLKX-INIZCTEOSA-N 435.395 5.176 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223867075 RUZGLHWEGXGXIB-DNQXCXABSA-N 426.545 5.063 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224049606 NAHLRRAMZCVFGY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224176855 LFOLJNXVAMIKKC-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1Cl 224184967 FLGQOQSXUBZRHB-ZEQRLZLVSA-N 445.975 6.481 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)nc1 224259717 DTCGDDBWAMWCMP-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224520405 IVOUMLKMQPCFSI-UHFFFAOYSA-N 445.603 7.338 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccccc2)o1 224580271 ADHTZQUXPOSZEV-DNQXCXABSA-N 427.529 5.527 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1CSc1ccccc1 224654989 BNKSERQYFJUUEY-UHFFFAOYSA-N 445.628 6.473 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 225095473 RTVBRWXDDRQNBE-VXKWHMMOSA-N 440.653 5.177 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 225553032 YKLDCRPPYUMDKJ-LJQANCHMSA-N 436.983 5.368 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225557237 CLVMUPOEHAGMPM-AVRDEDQJSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 225640215 MWWDKQSVGRLNEG-SIKLNZKXSA-N 445.003 5.058 0 40 IKAB COc1ccc([C@H](C)NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225833878 XBTKDSTWWAAAQQ-SFHVURJKSA-N 427.504 5.222 0 40 IKAB O=C(O)/C=C/c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226341172 BOUGMHZFJLMDBT-SNAWJCMRSA-N 446.522 5.542 0 40 IKAB COc1cc(C)c(CN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C 257202442 ALUJQIFISVDCOH-XMMPIXPASA-N 449.038 6.639 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 260755844 BYRAPEAMPMXCSZ-CAYVGHNUSA-N 440.366 5.693 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408617668 DCFQMNXPENTXOV-UHFFFAOYSA-N 426.611 5.527 0 40 IKAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 408669940 WHXAUIVDXATESC-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OCC 408681142 PFPPBYINBODHLI-UHFFFAOYSA-N 447.940 5.731 0 40 IKAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(Br)cc1C(C)C)c1ccccc1 408978252 HJGVQTHZBLWBMU-IBGZPJMESA-N 433.346 5.389 0 40 IKAB COc1ccc(N(C)C(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408980791 XNPICLXCFSHLPG-UHFFFAOYSA-N 438.491 5.297 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)c(Cl)c2)C1=O 409125158 CJNOYDOEPYJMDC-WOJGMQOQSA-N 438.332 5.255 0 40 IKAB CCOc1cc(C[C@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 409145285 NYYGTOJCQRCVSZ-OAQYLSRUSA-N 431.529 5.066 0 40 IKAB O=C(O)CCCn1c(-c2ccc(Cl)cc2)csc1=Nc1ccccc1C(F)(F)F 575628183 CKGYRCNLCJJLHU-UHFFFAOYSA-N 440.874 5.986 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1083103387 RGMOWKMCHFVBQH-JYWFKMLOSA-N 435.490 5.012 0 40 IKAB Cc1ccc2oc(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)cc2c1 1848355210 MLSDOLWNOJRECK-QGZVFWFLSA-N 449.938 5.369 0 40 IKAB Cc1cc(OCCCn2nc(-c3c(C)nn(C(C)C)c3C)cc2C(=O)O)cc(C)c1Cl 2037873490 PGXOQGPQSAJFBO-UHFFFAOYSA-N 444.963 5.382 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c(C)c1 884964 CAJXUAFJDZYNKS-UHFFFAOYSA-N 445.588 5.754 0 40 IKAB Cc1cccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 1359225 ZZXYLBTXUQRDQC-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB O=C(OCCOC(=O)n1c2ccccc2c2ccccc21)n1c2ccccc2c2ccccc21 1675281 NXIJWYMYYJXWHP-UHFFFAOYSA-N 448.478 6.572 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2Cl)c1C 1890843 RZSVZMDBWGIBIH-QHCPKHFHSA-N 447.991 6.867 0 40 IKAB CC(=O)Oc1ccc2ccccc2c1[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 2063567 FHMFSAXHYBWGIS-MHZLTWQESA-N 443.930 5.867 0 40 IKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)N[C@H](C)c3ccccc3)c2c1 2079750 NSDOSRPKXRXENT-LJQANCHMSA-N 428.963 6.971 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccccc3Cl)cc12 2107272 KMSBFDRJOPRYFD-UHFFFAOYSA-N 436.891 6.518 0 40 IKAB biogenic CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCC[C@H]4C 2297644 SDFNZMNSGGTSST-OAHLLOKOSA-N 438.622 5.673 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccc(C)c2)cc1 2450804 CCVXCODBAQIBSQ-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1ncnc2sc3c(c12)CCCC3)c1ccccc1 2643191 LSYNOQATLMBBRB-NRFANRHFSA-N 449.576 6.181 0 40 IKAB COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C(C)C)cc1)cn2Cc1ccccc1 2699196 QOIVCRLGGBZXAX-UHFFFAOYSA-N 447.556 5.015 0 40 IKAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2704202 MLPMLWQWQDEFDF-NRFANRHFSA-N 446.528 5.568 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1 2714387 AYFVDWIHYZAOAE-UHFFFAOYSA-N 445.570 5.723 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)NC1(C(F)(F)F)Oc2ccccc2O1 2725290 SEMBVODOXGCZEF-UHFFFAOYSA-N 442.437 5.195 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2739964 GPXLNIVOYLRPLU-UHFFFAOYSA-N 440.852 7.135 0 40 IKAB O=C(Nc1ccccc1Br)c1cc(-c2ccccc2Cl)nc2ccccc12 2740616 CLZMCMCCXACPEO-UHFFFAOYSA-N 437.724 6.570 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3Br)c3ccccc3n2)cc1C 2741396 ARJODYIKGJRADK-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 2741890 CKIOQCCIDMODTH-IDKBZEPQSA-N 439.621 6.388 0 40 IKAB Cc1cc(C)cc(-n2c(CSc3ccccc3Cl)nc3cc(Cl)ccc3c2=O)c1 3050399 QZFCLSOCQXPKHQ-UHFFFAOYSA-N 441.383 6.602 0 40 IKAB CC[C@@H](C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 3239428 NQROHNPBFYQAFQ-OAQYLSRUSA-N 444.556 5.947 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c1Cl 3294322 FVJLUJFFIHUSST-UHFFFAOYSA-N 442.342 6.006 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nnc(-c3ccccc3)o2)c2ccccc21 3326219 UKTQZXADQGLPBV-UHFFFAOYSA-N 425.513 5.870 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 3395259 KZYRSTOTGOALJE-UHFFFAOYSA-N 442.581 5.076 0 40 IKAB CN(C(=O)c1ccccc1/C=C/c1ccccc1C(=O)N(C)c1ccccc1)c1ccccc1 3845504 OPMBNIDNBKFJMP-QURGRASLSA-N 446.550 6.410 0 40 IKAB CCC(=O)N(CCCN1C(=O)c2cccc3cccc(c23)C1=O)c1ccc(C(C)(C)C)cc1 4256117 JIMUUJUUYUWDFH-UHFFFAOYSA-N 442.559 5.567 0 40 IKAB CCN(CC)CCCOc1ccc(CN(C)[C@H](C)CCC2=C(C)CCCC2(C)C)cc1 4683511 MTOLFROMMXNVAJ-XMMPIXPASA-N 428.705 6.924 0 40 IKAB FC(F)(F)c1cc(-c2ccc([C@H]3Nc4ccccc4-n4cccc43)o2)cc(C(F)(F)F)c1 5390428 SANVNBGAFPDHMG-NRFANRHFSA-N 448.366 7.290 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)c3ccc(OC)cc3)c2c1 6844281 RUNVZWPOGNKPFU-UHFFFAOYSA-N 432.520 5.982 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)cc1 8755050 COOQTCIDCIBKDG-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 8941798 RTWVIRYWPWFMOR-IBGZPJMESA-N 434.546 5.208 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)c1 9216006 GCQNABIFXGWLFV-UHFFFAOYSA-N 434.565 5.122 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1coc2ccc(CC)cc12 9430861 SJGDBBOGSFJBLC-UHFFFAOYSA-N 433.529 6.082 0 40 IKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 9463774 YXYCLRDQNZHQKU-CXAGYDPISA-N 431.483 5.323 0 40 IKAB Cc1nc(-c2cccc(NC(=O)COc3ccccc3C(=O)Nc3ccccc3)c2)cs1 9882444 YRDGFXVKTZLZFA-UHFFFAOYSA-N 443.528 5.388 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 10039322 BUVIKYZZODHKDF-AWNIVKPZSA-N 447.343 5.446 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 10059177 GXTRESROKNMPNM-LJAQVGFWSA-N 439.555 5.005 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)cc1 10326258 GAHGYUXDHKFNPF-IBGZPJMESA-N 448.588 5.421 0 40 IKAB Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12526307 IPGHBKKMUSGAHC-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB O=C(Nc1nc(-c2ccc(OC(F)F)cc2)cs1)c1ccc(Br)cc1 12559627 LDRTVCBXYBSVNA-UHFFFAOYSA-N 425.254 5.426 0 40 IKAB COc1cccc(NC(=O)[C@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)c1 12565414 FDHGROAFSGRUEJ-OAQYLSRUSA-N 447.585 5.661 0 40 IKAB CCN(CC)P(=NC(=S)Nc1ccc(Cl)cc1)(c1ccccc1)N(CC)CC 12583192 IYZYNALOTJRQSS-UHFFFAOYSA-N 436.993 6.077 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 12912083 MXDHWDZCADIYRV-MRXNPFEDSA-N 439.610 5.533 0 40 IKAB COc1cccc([C@H](CNc2nc(C)nc3sc4c(c23)CCCCC4)N2CCCC2)c1 13069911 XAHDCDUYEXTVRO-NRFANRHFSA-N 436.625 5.526 0 40 IKAB COc1cc2c(cc1OC)OC(C)(C)C([C@@H]1CC(C)(C)Oc3cc(OC)c(OC)cc31)=C2 13480424 IQLKFKMUIAAVNB-QGZVFWFLSA-N 440.536 5.620 0 40 IKAB biogenic Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc(C)c1Cl 13684237 WIFRWKPASYRLIF-SFHVURJKSA-N 436.939 5.465 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684850 VFUKINBIOXPJAR-UHFFFAOYSA-N 436.939 5.700 0 40 IKAB Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2N=C(O)C[C@H]3c2cccc(O)c2)n1 13731374 QFNHGNPXICZRQR-IBGZPJMESA-N 445.910 5.429 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(c2ccc(F)cc2)CC1 13953789 WNZFUWRVUXUJQC-UHFFFAOYSA-N 445.925 5.657 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1C 14155001 FRKCWWONUANNFG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CNc1ccccc1I 15289704 RZMCEPAEHFWYKQ-UHFFFAOYSA-N 436.337 5.589 0 40 IKAB Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)oc2cc(Br)ccc12 15832116 JJNDHKXOMASEAS-UHFFFAOYSA-N 439.309 5.665 0 40 IKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 16195472 IBUHQSXXDUWKKF-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 17097343 CHEXPRBJGQFJIK-UHFFFAOYSA-N 431.250 6.202 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2OC2CCCC2)CC1 19082080 RHVZZTODTOPOSR-AREMUKBSSA-N 449.639 5.519 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccco4)cc3)nc2c1 19643719 POXNPLCJNMFQOV-SICOMBFOSA-N 445.544 6.128 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@@H]3OCCc4ccccc43)c2)cc1 19690697 FKCOCCHRXLPCSI-IZZNHLLZSA-N 428.532 5.043 0 40 IKAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1C 19819719 VSTSZJDAYYCROZ-UHFFFAOYSA-N 433.602 5.285 0 40 IKAB OC(CNCc1ccc(Cl)c(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365349 OJRITUOCZWFMDZ-UHFFFAOYSA-N 441.185 6.326 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 20460272 BSJIOUCBAIEOPW-ZEQKJWHPSA-N 448.588 5.571 0 40 IKAB O=C(COC(=O)c1cccc(-c2nnc(-c3ccccc3)o2)c1)c1ccc2c(c1)CCCC2 24522628 JSSJSZCZSUHCSP-UHFFFAOYSA-N 438.483 5.322 0 40 IKAB Cc1nc(NC(=O)c2cccnc2Oc2ccccc2)sc1-c1nccn1C(F)F 24829179 YYQNRYTXDOMDCG-UHFFFAOYSA-N 427.436 5.150 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccc(Cl)cc2)c1C 26770865 PZEYHPDPENKTTN-XMMPIXPASA-N 447.003 7.472 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl 28289139 ZLBKXQVNLRPDIM-HNNXBMFYSA-N 433.310 5.837 0 40 IKAB CC[C@H](C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C)c1ccccc1 28305418 STPJRMMBWAAQPX-SFHVURJKSA-N 432.351 5.976 0 40 IKAB CCCCc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(CCCC)cc3)c(C)c2)cc1 31350766 NYWMWXDEVFKTJK-UHFFFAOYSA-N 444.571 7.119 0 40 IKAB Ic1ccc(Sc2ccc(I)cc2)cc1 33867776 DUVVOUSAQUQNMU-UHFFFAOYSA-N 438.071 5.047 0 40 IKAB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)c1 34687791 IHRGYHRDNJEIJP-XSFVSMFZSA-N 435.574 6.047 0 40 IKAB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 35646284 ALXCLHIYUZNVBY-ODLFYWEKSA-N 445.327 6.344 0 40 IKAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 36398004 GCDKFZJSJWWUST-MHZLTWQESA-N 449.558 5.075 0 40 IKAB O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 38833081 LTBQCGCJLNACIW-VWLOTQADSA-N 432.995 5.781 0 40 IKAB CC(=O)N(c1nn(CN(C2CC2)[C@H](C)c2cccc3ccccc23)c(=S)s1)C1CC1 58080526 LSTZRWUNLQZCCZ-OAHLLOKOSA-N 438.622 5.526 0 40 IKAB Clc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4cccs4)CC3)C1)c1cccn1-2 72327237 VADDEGHRPPTJLJ-QHCPKHFHSA-N 425.985 5.268 0 40 IKAB CCc1nccn1CCC(=O)N1CCC[C@H](c2[nH]c3ccc(C)cc3c2-c2ccncc2)C1 72396802 SBYZYISQQZSAKO-NRFANRHFSA-N 441.579 5.094 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc(-c3ccsc3)o2)C1 96119106 JMMFMIMAFABKHM-FQEVSTJZSA-N 444.560 5.477 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OC(C)C 106736851 PXASXUBBJJLFAH-GRSHGNNSSA-N 435.904 5.511 0 40 IKAB CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]3CC[C@H]4C(C)(C)[C@@H](O)CC[C@@]45C[C@]35CC[C@]12C 118915285 ONQRKEUAIJMULO-LIIHPMGPSA-N 426.729 8.169 0 40 IKAB biogenic,in-man CSC(=S)OCCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926301 GTRLSBCDXSIBTA-MYMUJAAQSA-N 436.771 8.116 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3cccnc3)ccc21 199423786 KPLUVBJHNSPIEY-UHFFFAOYSA-N 428.536 5.593 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223474525 LXDUHYCTECJHLA-XZOQPEGZSA-N 430.508 5.048 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223746064 YDMPGKFSGDXDMQ-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)C)c(C)c1 223998997 LAOOGOCTUXZVEH-JOCHJYFZSA-N 442.606 5.293 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1Cl 224133871 VRERXLWMIZECNZ-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224214953 QBADJMCVCCQBJY-BJKOFHAPSA-N 429.520 5.966 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 224343640 HTUNSQYEHUUXRC-RPBOFIJWSA-N 442.563 5.751 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c(C)c1 224950297 VIOLAHKXNLOKSO-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC2CCCCC2)cc1 225374911 GKDFFTOETBOWSU-HHHXNRCGSA-N 448.651 5.480 0 40 IKAB COC(=O)c1cc(NC(=S)NCCCSCc2ccccc2Cl)ccc1Cl 225607297 HXJHFLGOFWIIHH-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)c2ccccc12 225920375 LNOKWDAOWIFCFJ-UHFFFAOYSA-N 437.511 5.704 0 40 IKAB Cc1c(N)cccc1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br 226303474 YNCNENVKDACDFE-UHFFFAOYSA-N 439.397 6.060 0 40 IKAB Cc1cc(N)c(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)cc1Cl 226349211 ZFYBRNIHXHUXTR-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB O=C(COc1ccccc1Cl)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257206787 BEWMKRZTNCCNOZ-QGZVFWFLSA-N 445.346 5.357 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cn(C)c3ccccc23)C1=O 408819837 UFOCICRTZRJXMD-LFUDDNCESA-N 430.597 6.232 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(C(=O)c2ccccc2Cl)CC1 408972730 VVBVWRHDNPKTST-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1cccc(F)c1 409061169 XQNVOMXIGVZROT-ODLFYWEKSA-N 449.931 5.902 0 40 IKAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(OC(=O)c3ccc(C)cc3)cc2)cc1 409177130 BPIBRTDEMGZUKS-UHFFFAOYSA-N 446.499 5.433 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccccc2)C1=O 409232403 OTJYVTBKZJNROA-LDADJPATSA-N 432.339 5.474 0 40 IKAB Cc1cnc2cc(C3CCOCC3)nn2c1Nc1ccc(OCc2ccccn2)c(Cl)c1 643551108 XAKOLIYJXRFWBI-UHFFFAOYSA-N 449.942 5.303 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)O2 1848355676 DODPLDWICWJSCV-HHHXNRCGSA-N 441.531 5.452 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 2049238399 PECVQXJSAFWCOS-JDCFBMFHSA-N 446.716 6.822 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccccc2)cc1 876392 ASHYLRLQAXBAJH-UHFFFAOYSA-N 429.545 5.189 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C 898904 BOWKEENIZXXJPN-DFBJGRDBSA-N 430.523 6.139 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1OC 1447570 XSOHIUIQPPRVLG-UHFFFAOYSA-N 436.515 6.157 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3c(F)c(F)c(F)c(F)c3F)cc12 2284233 TXLBESFAHYKXPT-UHFFFAOYSA-N 442.380 6.182 0 40 IKAB biogenic O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2ccc(Br)cc2)cc1 2755177 NXXBCXHQGQQELQ-UHFFFAOYSA-N 435.321 5.439 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 3012750 ABFDMKCHUPEWTK-OALUTQOASA-N 448.876 6.066 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134471 VMNHQLVOKBMUCW-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB Cc1cc2sc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)nc2cc1Cl 3168991 VCBOFHXZBDHMSR-UHFFFAOYSA-N 436.295 6.266 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1ccccc1Oc1ccccc1 3218408 YRRAUFGEBMEPIS-UHFFFAOYSA-N 447.368 7.223 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3ccccc3c2)c2c(-c3ccccc3)cc(=O)oc2c1 3227579 WDTAUDUALHIUDD-UHFFFAOYSA-N 435.479 5.939 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccc(OC(F)F)cc2)cc1 3257781 LQTMCCVYYOIZLD-UHFFFAOYSA-N 427.520 6.643 0 40 IKAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3363793 VBXGOCLGQQNJCE-MRXNPFEDSA-N 434.380 5.274 0 40 IKAB COc1cccc(CNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)c1 3435464 NPARLGQAUIZCIA-UHFFFAOYSA-N 430.529 5.426 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655455 FXKCYLURRMQBOR-HNNXBMFYSA-N 449.890 5.732 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1CC=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846381 VPVSCDLLMXELSN-LXBAJFBKSA-N 446.672 6.721 0 40 IKAB biogenic COC(=O)CC[C@@H](C)C1=C2[C@@H](CC1)[C@@H]1CC[C@@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@H]1C[C@H]2C 4104901 RURACZOOLZNYIQ-VCDUDIKXSA-N 430.629 6.086 0 40 IKAB biogenic,in-vitro O=C1OC(c2ccccc2)=N/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 8434762 HPBISDCXBFBERC-JLPGSUDCSA-N 439.898 6.417 0 40 IKAB CC(C)c1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1 8594904 FAPYYQSFCKCCSL-AREMUKBSSA-N 446.547 5.429 0 40 IKAB Fc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)cc1 8769501 GWFDWXRFQREEDO-UHFFFAOYSA-N 426.535 6.412 0 40 IKAB Cc1ccc(CSc2nnc(C[S@@](=O)Cc3c(Cl)cccc3Cl)n2C)cc1 8855292 QQGYKTAYQFQZMB-HHHXNRCGSA-N 440.421 5.172 0 40 IKAB CC(=O)c1ccc(NC(=O)/C(=C\C=C\c2ccccc2)NC(=O)c2ccccc2Cl)cc1 8861358 VOAIUJUPXFMTHL-RHESKXDESA-N 444.918 5.508 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Cl)c1 9250404 ANHRXMHIKZISTG-UHFFFAOYSA-N 440.952 5.278 0 40 IKAB FC(F)(F)c1cccc(Nc2c(-c3cccc4cccnc34)nc3ccc(Cl)cn23)c1 9308444 QRZKNVYCVOFQPM-UHFFFAOYSA-N 438.840 6.965 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1C 9463337 DJUYGEMQUNXZHT-LJQANCHMSA-N 433.939 5.531 0 40 IKAB O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccc(Br)cc1 9479211 WKAYHFWCVJNLCH-UHFFFAOYSA-N 435.273 5.366 0 40 IKAB COc1cc(C)c(CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1C(C)C 9526056 UPQKQVYZTNTSRH-UHFFFAOYSA-N 428.601 7.476 0 40 IKAB CCn1c(CC(=O)Nc2cc(C)cc(C)c2)nnc1SCc1c(F)cccc1Cl 9614942 BGXQJXNONQSJKV-UHFFFAOYSA-N 432.952 5.181 0 40 IKAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)on1 9864875 PLLVBFGSLPSGCJ-UHFFFAOYSA-N 445.548 5.222 0 40 IKAB COc1cccc(-c2nc(CSc3nn(-c4ccccc4)c(=S)s3)cs2)c1 9868576 BHSAJKXTRMCUQP-UHFFFAOYSA-N 429.617 6.088 0 40 IKAB Cc1ccccc1-c1noc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2)n1 10442805 WQUYVVVCBAGJMT-UHFFFAOYSA-N 444.491 5.176 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 12274625 NUPXOTNMYXTOES-JOCHJYFZSA-N 449.890 5.223 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 12447763 HBGQBZNLPDCONO-CRICUBBOSA-N 448.975 5.517 0 40 IKAB O=C(c1cccc(Cl)c1Cl)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 12934143 QBLWZLFTVCIXOH-UHFFFAOYSA-N 432.376 5.075 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)cc1 13096473 ZZALDPICEUNQCL-AREMUKBSSA-N 430.548 6.043 0 40 IKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 13112498 MLMHDZBKCZRBEA-QHCPKHFHSA-N 440.572 5.997 0 40 IKAB CN1C[C@H](C(=O)c2ccc(Cl)cc2)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)C1 13397890 GYOAHBGWMYFOGR-ROUUACIJSA-N 434.750 6.435 0 40 IKAB CCn1ncc(Cl)c1CN(C)C(=O)c1ccc(COc2cccc(C(F)(F)F)c2)o1 13960308 HTOUAAMQEZCRQA-UHFFFAOYSA-N 441.837 5.019 0 40 IKAB O=C(c1ccccc1SC[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3s2)C1 14083856 LQLMNKYLIPREDC-ZWKOTPCHSA-N 438.618 5.587 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc2c(Cl)cccc12 14272001 XOKMNTGTLYPUBY-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1C 15413529 BRDPRBXNULLIIG-MUUNZHRXSA-N 440.587 6.165 0 40 IKAB Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCC4)cc1 16291861 JDWWHGSWCJWVCG-UHFFFAOYSA-N 432.570 5.219 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccc(C)c2)cc1 17096319 VOMKXIXICUYINZ-UHFFFAOYSA-N 429.303 5.815 0 40 IKAB CC(C)(C)c1ccc(CON2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 18069253 BHUKKPQREMVXPO-TXFWVUOCSA-N 437.539 5.308 0 40 IKAB CCCC12CN3CC(CCC)(CN(C1)C3c1cn(Cc3ccccc3)c3ccccc13)C2=O 19330084 ZPBQCLUBPZMSQF-UHFFFAOYSA-N 441.619 5.475 0 40 IKAB biogenic CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN(C(=O)CCCc3ccc(F)cc3)C2)n1 19694233 ZKOKIJONMJTXHG-JOCHJYFZSA-N 446.570 5.078 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411356 WPXINZXGNXQAIG-UHFFFAOYSA-N 445.544 5.754 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(Cl)c1N1CCOCC1 21596024 HBZCVIQNPHHYRJ-UHFFFAOYSA-N 430.976 5.270 0 40 IKAB c1ccc(Cn2c(SCc3csc(Nc4ccccc4)n3)nnc2-c2ccco2)cc1 23989426 GDZQSFQICNYAJO-UHFFFAOYSA-N 445.573 6.079 0 40 IKAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 30869400 CBIBJODPILGGGO-UHFFFAOYSA-N 427.548 5.032 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1N=C(c2ccco2)C[C@@H]1c1cccs1 32856373 HIHKRHMASAGZOP-OAHLLOKOSA-N 425.560 5.421 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)c2cc(Br)ccc2F)c1 32900633 JPLMFXJLCSNVRG-UHFFFAOYSA-N 428.261 5.485 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccc3nccnc3c2)C1 32936392 WXYZQPPNRRMUSP-HSZRJFAPSA-N 442.906 5.283 0 40 IKAB Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(C)c3)cc(=O)n2c1 33026452 BEZOBRYQRJDYES-UHFFFAOYSA-N 444.560 5.556 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1c(F)cccc1Cl 35400305 VDFCSONIRVCEAD-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB Cc1ncc(NC(=O)c2ccc(Br)cc2)n1-c1nc(-c2ccccc2)cs1 35682906 AEMCGUQCMZFAAG-UHFFFAOYSA-N 439.338 5.319 0 40 IKAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 38754037 MRAXKQJITHVKSU-GOSISDBHSA-N 441.549 5.316 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccccc3C)cc2)cc1 38755748 CBSZENWEBLUCPB-NDEPHWFRSA-N 437.608 7.115 0 40 IKAB Clc1cccc(-n2c(-c3ccc(Br)cc3)cnc2SC2CCCC2)c1 44087430 ITMQVJHBNGJOLZ-UHFFFAOYSA-N 433.802 6.990 0 40 IKAB CCSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)(F)F)cc1 44088057 SQUNARJHWAYFJE-UHFFFAOYSA-N 433.282 6.857 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289991 KZEYOXVMAUJWKQ-UHFFFAOYSA-N 444.604 6.087 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@@H](c2ccc(OC(F)(F)F)cc2)S1 96117409 WYKUGNAGJSYPGW-XJKSGUPXSA-N 441.475 5.091 0 40 IKAB O=C(NCc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344422 QXPBPMVCMFUDSG-DEOSSOPVSA-N 434.555 5.327 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc12 214802354 NLWLEHKQJYIVAT-RGVLZGJSSA-N 444.339 6.392 0 40 IKAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1C[C@H]1CCCO1 222562925 JSFNYQRQLTUDLH-HXUWFJFHSA-N 442.991 5.140 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 223046541 NFVFGSVJOZGQIX-JOCHJYFZSA-N 440.653 5.179 0 40 IKAB CCCCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1 223107754 FEQHSNCWNNSSDH-AWEZNQCLSA-N 439.353 5.476 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223279989 RWMGQCFZEYHIPN-HXUWFJFHSA-N 434.555 5.245 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 223728885 NKFBHSMVJKRYHT-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 223833882 AMTMZEBGGRKABG-GOSISDBHSA-N 447.579 5.339 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224065808 XXUBEASPVUKKHY-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)c1 224296066 MJGGCPLPENUGTK-RPWUZVMVSA-N 428.561 5.318 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C)c(C)c3)c2)cc1 224623206 AURZBPVWXKBDOF-UHFFFAOYSA-N 447.531 5.710 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc2ccccc12 224631038 XNGADKJVMSIQSJ-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224658452 RWMXOOSBRHYDPV-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c(OC)c1 224801991 PSDJQJBPYGQVRF-BJKOFHAPSA-N 448.592 5.193 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225267181 FFNVKZQODSINCG-MSOLQXFVSA-N 449.422 5.566 0 40 IKAB CC(C)(C)CN[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257205387 AYUBXWZGDHGGBS-AUSIDOKSSA-N 434.455 6.510 0 40 IKAB Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)O)c(CCc2ccc(F)cc2)n1 257248995 JGFKOLUOJFYOKB-UHFFFAOYSA-N 437.515 5.022 0 40 IKAB CC(C)Oc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)cc1Br 260756092 DDZAAXPGHQTUCB-ZNZDAUKMSA-N 432.387 5.221 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Cl)cc3)n2CC)cc1 408561132 GSJALKNGOFVQCB-BZZOAKBMSA-N 428.985 6.118 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1Cl 408606378 IOBQUXCNVFHXSU-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]12 408617437 AMTKOIYECYDMTN-FPMFRTRJSA-N 448.349 5.738 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 408641466 LRYLOMWYKYBOED-IBGZPJMESA-N 430.504 5.178 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408648544 YOIINKIDHAJLKL-QFIPXVFZSA-N 442.559 5.904 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Br)cc3)n2)cc1 408694979 NGKXCMZHXYMRDZ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)cc1C 408698428 NUHSXOZXNDDPBH-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2cc(Cl)ccc2C)n1 408699865 WQGAQKOUMUFEKS-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2cccc3ccccc23)c1 408727876 YKAPLRWIVRPUFR-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 409000779 FWKRNOQZATWZNA-JOCHJYFZSA-N 442.515 5.887 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409019856 YUPPZUGATIEXFK-WOJGMQOQSA-N 432.339 5.473 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409105268 LXELLGDMGLARDV-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 409118772 QCUNBBPHTATWGT-XKZIYDEJSA-N 435.926 6.601 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2cccc(C)c2C)c(Cl)c1 409376386 XUJCDMXQXBOSFN-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 409377322 GHFWMSAWJSGJJF-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 727020 CVKOIJVKLFRETD-YQDNHFOKSA-N 434.322 5.780 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCC3)cc2c1 879514 NAIJVJVIHQHEEH-UHFFFAOYSA-N 439.556 5.208 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 1431966 ABUMZSAITJVKFU-UHFFFAOYSA-N 438.281 5.222 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@@H](C)C4)ncnc32)cc1Cl 1447688 NHWRQMWDRHZODD-ROUUACIJSA-N 432.955 5.663 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1-c1ncc(-c2ccc(Br)cc2)o1 1590779 JZMRKILCTGGBRV-UHFFFAOYSA-N 433.664 6.527 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3ccccc23)c(C)c1 2074069 KUSXQKBHWWAOFO-UHFFFAOYSA-N 447.991 6.606 0 40 IKAB CC(C)CCOC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 2256112 QUYOZBODYNICSA-UHFFFAOYSA-N 443.334 5.666 0 40 IKAB CC(C)Cc1nc2sc3c(N[C@H](C)CCc4ccccc4)ncnc3c2c2c1CCCC2 2315264 CUTFWBMRPUFXDE-GOSISDBHSA-N 444.648 6.750 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(C(C)C)cc2)c2nc3ccccc3nc12 2427944 OVVGJGPITQRMSX-UHFFFAOYSA-N 430.552 5.872 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 2443680 OSCOFWYIUVSEKO-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c(C)n1C 2628115 SWKCXIIOAQFDGR-UHFFFAOYSA-N 448.522 6.050 0 40 IKAB COc1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1OC 2710186 RENKLZJYWGUIGN-FMIVXFBMSA-N 429.545 5.757 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 2999864 UNFFTTLFOJCQPA-HOYKHHGWSA-N 445.390 6.287 0 40 IKAB Cc1cccc(Cn2c(C)nc3c(NS(=O)(=O)c4ccc(F)cc4)c(C)c(C)cc32)c1 3133392 BNNMFYODOJWCLO-UHFFFAOYSA-N 437.540 5.258 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3ccc(Cl)cc3Cl)ccc12 3234068 XAKQBWSULMPPJY-UHFFFAOYSA-N 439.338 6.886 0 40 IKAB O=c1oc2c(OCc3ccccc3F)c(OCc3ccccc3F)ccc2c2c1CCC2 3248912 GQAUQPTWDDMQDB-UHFFFAOYSA-N 434.438 5.718 0 40 IKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3282172 XJOXQEYEJDKKMY-UHFFFAOYSA-N 444.939 7.751 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1N 3294273 NKDXOIKHNFDSHT-UHFFFAOYSA-N 444.004 5.290 0 40 IKAB COc1ccc(CNCC[C@@H](c2ccccc2OC)[C@H]2CCOC(C)(C)C2)cc1OC 4027903 IGJZWRNLGLPQPE-LEWJYISDSA-N 427.585 5.181 0 40 IKAB biogenic COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)ccc2c1 6525638 MIQWJXJGTXMVNG-BYIOMEFUSA-N 426.553 5.499 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 8718746 VEEGUJNYZZQOSB-OAQYLSRUSA-N 439.943 5.475 0 40 IKAB O=C(CCn1c(=O)sc2ccccc21)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 8971198 RVKJHDOSOQURTH-UHFFFAOYSA-N 434.361 5.129 0 40 IKAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 9187782 RZOVRQOVZBKJIK-UHFFFAOYSA-N 448.450 5.469 0 40 IKAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(CSc3ccccc3)s2)cc1 9196939 JHSRNERLHZSXBT-UHFFFAOYSA-N 426.567 5.211 0 40 IKAB Cc1[nH]c2ccccc2c1SCCNC(=O)c1c(-c2ccccc2Cl)noc1C 9416480 YYEQOHRYWVNJNA-UHFFFAOYSA-N 425.941 5.615 0 40 IKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc(Br)s1 9442386 VDLYOFIPAUSKEM-UHFFFAOYSA-N 434.384 5.003 0 40 IKAB CCn1c(SCc2ccc(C(=O)Nc3ccc(Cl)c(C)c3)cc2)nnc1C1CC1 9949140 UKYZTQSJEQTYPF-UHFFFAOYSA-N 426.973 5.682 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195713 LLKDIIOWFJDXJK-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB Cc1cccc(N=[P@](c2c(C)nn(-c3ccccc3)c2C)(N(C)C)C(C)(C)C)c1Cl 12579227 JYBQKLOMAYSFML-SSEXGKCCSA-N 442.975 6.884 0 40 IKAB O=C(Nc1ncc(Cc2ccc(C(F)(F)F)cc2)s1)c1cc(F)c(F)cc1Cl 12741955 UXXAJVOJSLNQJC-UHFFFAOYSA-N 432.801 5.937 0 40 IKAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 12792202 BAXNSWBRCMGPNG-LLVKDONJSA-N 434.348 5.744 0 40 IKAB CCOc1ccc(N(Cc2ccc(Cl)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 12843625 QWOMHHNBUFKXTB-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2ccccc2S1 13014935 DAYKCTLPJTWPOI-ZDUSSCGKSA-N 430.986 5.135 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1cc3c(s1)CCC3)CC2 13018505 WGIMIPNPTKYIFD-QFIPXVFZSA-N 425.575 5.103 0 40 IKAB C[C@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccccc1Cl 13040158 YVCKDQZECZXWPR-LBPRGKRZSA-N 430.360 5.809 0 40 IKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)N1CCC(O)(c2ccc(Cl)cc2)CC1 13691384 VACLIHJRSNGDEA-UHFFFAOYSA-N 447.387 5.170 0 40 IKAB 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CC[C@@H](CNC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 32736582 GPQZWIPBQXEOOR-CVEARBPZSA-N 442.610 5.081 0 40 IKAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(F)cc1 33626915 NCRAZVAPZWEYAD-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 37100517 DYBPQEIEBDTVKP-SANMLTNESA-N 427.523 5.362 0 40 IKAB CC1(C)C[C@@H](NC(=O)CCC2CCCCC2)C[C@@](C)(CNC(=O)CCC2CCCCC2)C1 38193945 ISCATKGXTNHYCZ-UFHPHHKVSA-N 446.720 6.525 0 40 IKAB CC(C)OCc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 58160057 GBCBPFBMRCYNFV-UHFFFAOYSA-N 443.591 5.186 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)N(C)C[C@@H]3CCCO3)cc12 58227771 YNGCGLUXSMGIQG-HNNXBMFYSA-N 438.380 5.012 0 40 IKAB CC(C)c1noc(-c2ccc(NC(=O)N[C@H](C)c3cccc(Br)c3)cc2)n1 58342801 MGGHIRKPHOIZBE-CYBMUJFWSA-N 429.318 5.505 0 40 IKAB Cc1ccccc1OCCn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 59109416 FOPLNZIXHBLGLE-UHFFFAOYSA-N 426.232 5.536 0 40 IKAB Cc1ccc(OCCSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 59182085 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NQYNTLKMUQZOJB-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB O=C(COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)OC1CCCCC1 950738 YPSFIDYSLYNQKK-UHFFFAOYSA-N 428.868 5.493 0 40 IKAB Clc1cc(Cl)c(OCCOCCOc2ccccc2-c2ccccc2)c(Cl)c1 1698730 DBDATSVFFISWAP-UHFFFAOYSA-N 437.750 6.788 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Oc2ccc(-c3ccccc3)cc2)n1 1889200 PSERNMKUBKYKTO-UHFFFAOYSA-N 426.825 7.275 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 1940228 FLCJIRPEVLQBGX-JSGCOSHPSA-N 435.973 5.417 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)c2c3c(sc2n1)CCCC3 2087778 PTEQZPCOTFELIA-UHFFFAOYSA-N 445.613 6.276 0 40 IKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 2307284 ZVIOTJWWILRXAX-AZUAARDMSA-N 428.458 5.667 0 40 IKAB COc1ccccc1[C@@H](c1c(NC(=O)c2ccccc2)sc(C)c1C)N1CCCCC1 2546484 VSYMACQIDUJEMB-DEOSSOPVSA-N 434.605 6.201 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)N2CCCCCC2)nnc1-c1c[nH]c2ccccc12 2628226 FWDDDPKMFVNDDC-UHFFFAOYSA-N 445.592 5.219 0 40 IKAB CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@@H](CC)C2 2744813 NBXPQDNCBMZNRV-MRVPVSSYSA-N 447.425 5.388 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)cc1C 2747459 LULXIZYSVXRXDT-UHFFFAOYSA-N 449.598 6.098 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(-c2ccccc2)cc1 2889724 FYAZRRKXNJHBNL-UHFFFAOYSA-N 447.943 6.774 0 40 IKAB C[C@@H](NC(=S)NCCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 3045842 DKLKYCAQHYHOSF-IBGZPJMESA-N 440.505 5.390 0 40 IKAB Cc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1Cl 3371476 UYASPKYGQOLDPQ-UHFFFAOYSA-N 442.418 6.009 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 4193595 HUQRNDUHICMJEI-UTGKDZDOSA-N 430.529 5.220 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)c1ccccc1n3C)O[C@H]1CCCC[C@@H]21 4710773 DWQSSIFTRHQFQG-VRKFOXNMSA-N 427.544 6.495 0 40 IKAB COc1ccccc1[C@@]1(CCNCc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 5399496 IQUJHWGJJULTIB-SXOMAYOGSA-N 425.613 5.735 0 40 IKAB CCCN(CCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 8667812 SSBVKHJVSWKOSS-HSZRJFAPSA-N 431.407 6.672 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 8727887 IGHHOCBJPFBAJF-VGSWGCGISA-N 432.593 5.555 0 40 IKAB CCCCOc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 8782995 UFRSRYIRDGWLPU-HHHXNRCGSA-N 447.594 7.728 0 40 IKAB Cc1c(Cc2c(Cl)cccc2Cl)c(=O)ccn1Cc1cccc(C(F)(F)F)c1 8873055 MAYQKWKVOGMEGZ-UHFFFAOYSA-N 426.265 6.121 0 40 IKAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 8899249 OYSVTKKKXRMUPI-INIZCTEOSA-N 449.507 5.747 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C(C)C)cc1 8920525 WQSBSDJMMHQDEG-UHFFFAOYSA-N 428.532 7.003 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)NCc3cc(Cl)c4c(c3)OCCCO4)ccc2c1 8939252 PKMAPBLXQSTLCQ-HNNXBMFYSA-N 425.912 5.083 0 40 IKAB Cc1cccc(CN2CCC(C(=O)NCCSCc3c(F)cccc3Cl)CC2)c1 9063030 FELXNAOVPRJEFJ-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cccc(Br)c3)ccc1O2 9135380 SNZOPSPLBZXLNJ-UHFFFAOYSA-N 437.293 5.392 0 40 IKAB CCCSc1nc(SCc2ccccc2F)c2c3c(sc2n1)COC(C)(C)C3 9424438 FWWWGOTVLIUATQ-UHFFFAOYSA-N 434.627 6.476 0 40 IKAB Fc1ccc(Nc2nc(NCc3ccccc3Cl)nc3c2cnn3-c2ccccc2)cc1 9622506 KQWHVHSPVLCSKG-UHFFFAOYSA-N 444.901 5.964 0 40 IKAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1cccc2ccccc12 9631665 JJMXPWVKWFPEPR-UHFFFAOYSA-N 436.846 5.286 0 40 IKAB CCCCn1c(SCC(=O)Nc2c(C)cccc2C)nc2c(oc3ccccc32)c1=O 9749473 NVXFTOVJEIHUPR-UHFFFAOYSA-N 435.549 5.290 0 40 IKAB Clc1ccc(Oc2ccc(Nc3ncnc4c3cnn4-c3cccc(Cl)c3)cc2)cc1 10254028 KAMPKMPXDRITLP-UHFFFAOYSA-N 448.313 6.658 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C)cc4C)cc3C[C@H]2C)cc1 10326572 AENXCNBLGSIZRH-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1O 11866336 XNTVGOPHJNHTAG-UHFFFAOYSA-N 443.503 5.510 0 40 IKAB biogenic C[C@@]1(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc3c(c2)OCO3)CC1(Cl)Cl 12402159 HKJBXKQXIMVZIW-KRWDZBQOSA-N 448.224 5.749 0 40 IKAB O=C(c1cc2cc(Br)ccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 12870316 DEPBDOPSFDWXNE-UHFFFAOYSA-N 440.366 5.560 0 40 IKAB CCn1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S 13098354 MFSZHPBSVAXFFC-KSSFIOAISA-N 425.429 6.020 0 40 IKAB CC1(C)C[C@H](NC(=O)c2cccc(Cl)c2)C[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 13969897 NZKUSTGCPFZVKU-RDPSFJRHSA-N 447.406 5.738 0 40 IKAB COc1cc(CNC2CCCCC2)cc(Br)c1OCc1ccc(Cl)cc1 16195429 RJDVDWIBODQYCR-UHFFFAOYSA-N 438.793 6.112 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3oc4ccccc4c3C)cc3sc(=O)oc23)cc1 16742316 ADTDXPJNDCHXPP-UHFFFAOYSA-N 432.453 5.804 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)cc1 16757863 WHUGTDJKEKKOMR-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@H](Sc2ccccc2)CS1 16779188 FPHWAICXXZYOFX-UYAOXDASSA-N 436.627 5.931 0 40 IKAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(C)c3)n2)cc1 16846465 WGZPZOJGVDUKOV-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cc(C)cc(C)c3)c2c1 17010786 MEZFLGFWNPOSJT-UHFFFAOYSA-N 447.604 6.136 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4cccc(Cl)c4)cc3O)oc2c1 17101761 DSVPJMLDJSBYJF-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F 17102758 YZGCSGCOHAICAI-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3c(c2)OCO3)cc1 19893735 JVBXJTQXWYXJBP-WMZHIEFXSA-N 449.304 5.420 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl 20152330 VKBSLZYELQXNAI-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB Cc1ccc(-c2csc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)cc1 20394077 QANOCFGYWSCCIP-UHFFFAOYSA-N 425.601 6.030 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 20460847 FBTOSDXASAIUNA-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4cc(Cl)ccc4Cl)c3)nn12 20609634 NKEDWLRWTXMIFG-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c1 21579434 NTIUVKNLYUZBNU-UHFFFAOYSA-N 430.504 5.818 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1cccc(Br)c1 22053477 GHNSDOZZZSLURB-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CCOc1cc(CNCc2ccco2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22076345 PHRKMDWAPAXRQI-UHFFFAOYSA-N 440.754 6.507 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C)cc2C)cc1 22275386 JZBNHRBEEHXUKF-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3sc(-c4ccccn4)nc3C)cc2)n1 23012586 DVJBUJTYRVEODS-UHFFFAOYSA-N 433.562 5.324 0 40 IKAB O=C(Nc1cccc(C(=O)N(Cc2cccs2)Cc2cccs2)c1)c1cccs1 24465988 UYZPDLQREVGGRL-UHFFFAOYSA-N 438.599 5.966 0 40 IKAB Clc1ccc2c(c1)nc(CSc1nnc(-c3ccccc3)o1)n2Cc1ccccc1 24831364 VYFSHVAFBSFCHW-UHFFFAOYSA-N 432.936 6.080 0 40 IKAB COc1ccccc1CN(Cc1cccs1)C(=O)CCc1ncc(-c2ccccc2)o1 24957351 ORMHSBHMACFMAI-UHFFFAOYSA-N 432.545 5.573 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 25052903 BXHYJWUWQCAHMD-ROUUACIJSA-N 430.495 6.024 0 40 IKAB COc1ccc(CC(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)cc1 32610214 XSCFMPNDBYVKOJ-UHFFFAOYSA-N 434.323 5.033 0 40 IKAB O=C([C@H](Sc1nnc(-c2ccccc2)c2ccccc12)c1ccccc1)N1CCCC1 32741665 JZHVDQCESPXVLU-XMMPIXPASA-N 425.557 5.753 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3-c3ncc(-c4ccc(F)cc4)o3)cnc21 32754580 XPWKKCBKLLDOOF-UHFFFAOYSA-N 441.466 5.726 0 40 IKAB CC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)nc1C 33389717 LWCCFKSLVJUWCE-XVCKNUHJSA-N 427.573 6.455 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccc(C)cc2)cc1OCc1ccccc1 34869733 SLTBURFFQHDSMA-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 40487528 XGQUTMJLDSGZSQ-NZQKXSOJSA-N 435.321 5.700 0 40 IKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@@H]4CC[C@]3(C)C2=O)cc1 41181195 FJIRFWDJPBXNKB-VHSSCYTRSA-N 430.544 5.739 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)c(Cl)c1 44844656 AMPNYCBNHLECTH-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB CCOC(=O)[C@@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)C1 45887760 PRIONQXDVNMYJZ-CYBMUJFWSA-N 433.291 5.026 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccccc2F)cc1 67259892 VZBNCSOCRCWTDI-UHFFFAOYSA-N 438.593 6.235 0 40 IKAB CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339344 WBMWUXZWRORBBU-VQHVLOKHSA-N 428.282 5.414 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1Cc1ccccc1)C1CCCCC1 72215732 WQIXAQMZOFEMDC-XMMPIXPASA-N 435.612 6.493 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)Cc2ccccc2)n1 72376896 MLMMCUVHNIWORR-FQEVSTJZSA-N 440.469 5.041 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc1)[C@H]1C=C[C@H]2C1 100098687 GJAOEHUVPAJIOT-WNLYKICVSA-N 446.591 5.106 0 40 IKAB O=C1/C(=C\Nc2ccc(Cl)cc2)c2ccccc2C(=O)N1OCc1ccc(Cl)cc1 100400912 NOZRTGUZUPRCLQ-BKUYFWCQSA-N 439.298 5.561 0 40 IKAB COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1Cl 106723176 LEYWKNWHCAIMRP-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB Cc1ccc(COc2c(Br)cc(/C=C/C(=O)O)cc2Br)cc1 107825463 OLNNZISMXSEVJO-VOTSOKGWSA-N 426.104 5.197 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)c1 214631569 IGPGWBVGWRZWCY-BUVRLJJBSA-N 429.541 6.119 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 216252038 AZKVLQYEZDCIEW-HSZRJFAPSA-N 425.981 6.737 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(Br)cc1Cl 218947073 JMBNIEGWXNOSQT-INIZCTEOSA-N 438.749 5.208 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 223068535 PAOYHAJZDHVWJV-JWQCQUIFSA-N 442.588 5.035 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc2ccccc2c1 223652137 GXGFWOKGOUNYEA-UHFFFAOYSA-N 439.920 6.095 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 223940056 SGLRWVUKLWUQDW-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(C(C)(C)C)cc1 224183493 IRXSIWJJXJGTOL-UHFFFAOYSA-N 433.548 6.141 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 224307057 HQKPOUMONDMMOA-DEOSSOPVSA-N 436.983 5.369 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224440087 FZFKJEKYFNEOGS-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224550230 VFEBGYXXHQQWIM-KRWDZBQOSA-N 441.930 6.256 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C(C)C 224571272 GGWYOJLAMGZKOL-UHFFFAOYSA-N 446.547 5.998 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1 225055610 QZLDEKURVZFJKO-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225136875 YIMMAZNPKNXPSP-RTBURBONSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 225160463 XPXQXOHMOWQTAE-IBGZPJMESA-N 445.003 5.176 0 40 IKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225469735 PFCXGNYRWRWHCG-IBGZPJMESA-N 430.617 6.571 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 225511557 IGCHUYLSVSAMNO-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 225632703 YDDJYTIABLVMEJ-SIKLNZKXSA-N 445.003 5.058 0 40 IKAB Cc1ccccc1-c1noc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)n1 225828690 DZUVVQDAULFJQJ-UHFFFAOYSA-N 426.851 5.204 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225859308 SPIVERPLRCCUIA-UHFFFAOYSA-N 432.433 6.480 0 40 IKAB FC(F)(F)c1cc(N2CCCCCC2)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935875 FSQKJWWQYXEGNG-UHFFFAOYSA-N 443.926 5.016 0 40 IKAB O=C(O)C(Oc1ccc(-c2cccc(F)c2)cc1)Oc1ccc(-c2cccc(F)c2)cc1 226076067 FIMPHPHMKVBJDC-UHFFFAOYSA-N 432.422 6.167 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)o1 257339558 ZCGHBGJUXYQZKJ-FQEVSTJZSA-N 429.520 5.084 0 40 IKAB O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 408554402 DSELQNSXZUNWDI-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2N2C(=O)c3ccc(Br)cc3C2=O)cc1C 408671865 LSMWEEGXHCIRCT-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2cccc(C)c2)c1 408699050 UIQHOMZFGSYDBY-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 409013168 LVHXVCSMMGBVCJ-LPXFMOJISA-N 436.360 6.407 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2C)c1 409091882 VMHKPVSGCRFWRN-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 409104434 IRPYVHXPFAPTNY-UHFFFAOYSA-N 447.991 6.049 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 409111268 BCQKUMOTPGLHEC-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409112740 CKXYVOMFOHABSF-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1C 409118655 OXIICWYDJQWQGA-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cc(Cl)cc(Cl)c1 409145976 STPRRKYXCPMRPP-UHFFFAOYSA-N 449.359 5.065 0 40 IKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc2ccccc12 409181506 CFDUQTCMFRGTMQ-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB Cc1nc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3Cl)c2)C(=O)O)n[nH]1 409188588 FDUFZPYKAPTJDE-IUXPMGMMSA-N 436.320 5.217 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1 1565523831 XXOALLHANDFPTH-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871981 MHHVYZIZHLFGSM-UHFFFAOYSA-N 434.945 5.268 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)cc12 878452 VVEHEMNHUTZJJR-UHFFFAOYSA-N 446.551 5.078 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc12 999322 RQPRFABYIJKFQR-UHFFFAOYSA-N 429.472 5.100 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 1336177 ZOIWGTUWJJLUCH-VWLOTQADSA-N 447.604 5.217 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)c3ccccc3Cl)cc2c1 1359576 BNDVJFGRTAOBSR-UHFFFAOYSA-N 436.964 5.702 0 40 IKAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 1770324 XAMFYUOXIXGUBS-PIGZYNQJSA-N 438.833 5.008 0 40 IKAB Cc1cccc(COc2ccc3c(=O)c(Oc4ccc(-c5ccccc5)cc4)coc3c2)c1 1771708 OYQFNRMYTZGUBV-UHFFFAOYSA-N 434.491 7.140 0 40 IKAB Cc1cc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc(C)c1Cl 1775147 YBTVJIYXUNOZSK-UHFFFAOYSA-N 438.838 6.214 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 1916387 GHJQZEGDCKOYRE-UHFFFAOYSA-N 435.376 6.432 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cc(Br)ccc1Br 2061726 BGPCIYQWTRPZMS-UHFFFAOYSA-N 443.138 6.035 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1Cl 2256448 UHQSYHDFDWYKOO-UHFFFAOYSA-N 449.890 5.652 0 40 IKAB COc1ccc([C@H]2C3=C(N=C4SC=C(c5ccc(F)cc5)N42)c2ccccc2CC3)cc1 2342429 JHCYWXPHRBJVCX-SANMLTNESA-N 440.543 6.650 0 40 IKAB CC1(C)Cc2nc3oc4c(SCC(=O)c5ccc(Cl)cc5)ncnc4c3cc2CO1 2364846 WTBXFBQQWOVDMV-UHFFFAOYSA-N 439.924 5.251 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nnc2-c2ccccc2F)cc1 2628470 QCELCFMPHQJGEI-UHFFFAOYSA-N 442.519 5.838 0 40 IKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N[C@H]1CCCc2ccccc21 2636720 GWSQKZSRUNISRE-KRWDZBQOSA-N 431.583 5.088 0 40 IKAB COc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)/C=C/c2ccccc2)cc1 2651508 QZJOVTSONMBJPN-CCEZHUSRSA-N 431.916 5.495 0 40 IKAB CC(C)CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 2703500 LCDVDGXGRAOPNG-XMMPIXPASA-N 440.499 5.363 0 40 IKAB C[C@H](NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1ccccc1 2740239 MMCBIMDIPNTXRJ-INIZCTEOSA-N 431.333 6.155 0 40 IKAB CC(C)[C@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)c(Cl)c3)N2C1=O 2965379 TYEXQZZQGAFPEM-GOSISDBHSA-N 446.359 5.224 0 40 IKAB Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1Oc1cc(Cl)c(Cl)cc1Cl 3050295 HSTCQIQGMXFZAW-UHFFFAOYSA-N 434.632 6.618 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 3063525 KLGNYXKLQLCNCZ-UHFFFAOYSA-N 428.454 5.293 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 3324775 UWHDLUAMHOEDMS-UHFFFAOYSA-N 444.535 5.293 0 40 IKAB c1csc(Cc2nnc(SCc3nnc(-c4cccs4)o3)n2C2CCCCC2)c1 3385823 JZSVMTKSVMHLTL-UHFFFAOYSA-N 443.623 5.839 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@@H]1CCCO1 6443163 HMSXTBWSNQGTGY-CTNGQTDRSA-N 435.593 5.465 0 40 IKAB COc1cccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)c1 8383499 OBZDAXAPMODVQQ-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c2c1 8383522 FJORUGUAHNFPRT-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 8431670 WBKNHCQLPMRUBW-KOPYOMKSSA-N 426.947 6.777 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2c3ccccc3CC[C@@H]2[C@H]1c1ccc(Cl)cc1 8453258 VPEICTQDOUWGTK-JTHBVZDNSA-N 436.342 6.549 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3ccco3)c1)O[C@@H]1CCCC[C@H]21 8782731 UOWXKHBODKGGSD-OSWQYVSFSA-N 433.504 5.695 0 40 IKAB COc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC 8914854 XRUAJSPEDBAHRI-UHFFFAOYSA-N 425.297 5.173 0 40 IKAB O=C(CSc1ccc2c(c1)OCCCO2)N[C@H](c1ccc(F)cc1)c1cccs1 9254787 FFAHMASVTVOLPZ-JOCHJYFZSA-N 429.538 5.046 0 40 IKAB CCCCN(CCCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 9311222 ZDJACPCMNHXVIX-UHFFFAOYSA-N 444.648 7.192 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)c2ccccn2c1C(=O)c1ccc2c(c1)CCCC2 9317033 SDFWOKSKUUXGJN-UHFFFAOYSA-N 427.479 5.023 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2ccc(-n3cccn3)cc2)n1C1CC1 9513707 RUGRQCMBRZAICO-UHFFFAOYSA-N 437.956 5.323 0 40 IKAB COc1cc(-c2nnc(SCc3cc(C)on3)n2C2CCCCC2)cc(OC)c1OC 9534516 QHSZBUWESGGPPR-UHFFFAOYSA-N 444.557 5.065 0 40 IKAB COCCNc1nnc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)s1 9728416 DRCAZBWXPQCTMQ-UHFFFAOYSA-N 435.987 5.073 0 40 IKAB Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1C 9762495 VSOSHSYXLJWQEM-UHFFFAOYSA-N 443.330 5.880 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2C[C@@H]2CCCO2)c1 9934853 ZSGOSLWRYWDPHZ-AFMDSPMNSA-N 446.547 5.251 0 40 IKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccc(F)cc3)nc12 10187733 RVXDZXDQOMURTB-UHFFFAOYSA-N 439.537 5.165 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(C(F)(F)F)cc1 10367803 OJRAGNQNQZUHHJ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)c1 12160732 NGXURAVDXYYDHZ-IHPCNDPISA-N 448.533 5.084 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)c4ccc(Cl)cc4Cl)sc3n2)cc1 12249705 MDERKCAGUJOUIN-UHFFFAOYSA-N 429.328 6.092 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ncc(C23CC4CC(CC(C4)C2)C3)s1 12360455 AOLHRYDIWDVQFP-UHFFFAOYSA-N 441.647 5.951 0 40 IKAB CC(=O)Nc1ccccc1-c1nc2ccccc2nc1OCc1c(Cl)cccc1Cl 12364448 MQIIHEQWHKDYQW-UHFFFAOYSA-N 438.314 6.141 0 40 IKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Br)cc1Cl 12549734 VIRCFUGGGZWRHP-UHFFFAOYSA-N 446.757 5.660 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3OC(=O)/C=C/c3ccccc3)=NN2C(C)=O)cc1 13120580 YLIRMQHTZDSFLG-HSEDLZSMSA-N 440.499 5.012 0 40 IKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccccc1 13880429 UHFDTQBWPCLBNC-UHFFFAOYSA-N 433.002 5.116 0 40 IKAB Cc1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)s2)cc1 13893857 YAKSIFNPNLERPX-UHFFFAOYSA-N 446.575 7.705 0 40 IKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 14396698 CIWFYRMNMKHLOG-LJQANCHMSA-N 428.381 5.209 0 40 IKAB COC(=O)c1ccc2c(O)nc(CN[C@@H](c3ccc(C4CCCCC4)cc3)C(C)C)nc2c1 16046622 CUZLZOIMKUUONN-RUZDIDTESA-N 447.579 5.657 0 40 IKAB COc1ccc2c(C)c(CCC(=O)N(C)Cc3ccc(Cl)cc3Cl)c(=O)oc2c1 16468459 GFODQMGWSKWSAK-UHFFFAOYSA-N 434.319 5.008 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 17096313 PGQFWIJISNQNIU-VQHVLOKHSA-N 429.303 6.254 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Br 17098644 DCSCKMRLZPNAAJ-UHFFFAOYSA-N 433.758 5.691 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)cc4)cc3)nc2c1 19648603 AXINKQXPVFDCFG-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(CSc3nnc(-c4ccccc4Cl)o3)o2)cc1 19928115 GAMQLMJTIUZMGB-UHFFFAOYSA-N 426.929 6.030 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1-c1ccc(CO)o1 20140172 GXJVUESVELFUNZ-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1)Nc1cccc(-c2ccc(CO)o2)c1 20145439 BSZNTEVZERFONR-YRNVUSSQSA-N 437.854 6.143 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC 25613786 OZSITUPIGKHHJB-HSZRJFAPSA-N 447.600 5.890 0 40 IKAB Cc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCOCC3)c(C)c2c1 28291780 KWJBOIVOKJUODF-QHCPKHFHSA-N 434.580 5.150 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32623164 IJNHZMHZJPVQGP-KRWDZBQOSA-N 429.476 5.127 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccccc2)n1 32740736 MDRMDOGVANIQHA-UHFFFAOYSA-N 438.940 5.564 0 40 IKAB CC[C@@H](C)c1ccc([C@@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 32906593 MNXVFMVXAVTYON-WGDIFIGCSA-N 448.588 5.431 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 44850529 HEBGHPICKVSMLH-UHFFFAOYSA-N 449.616 6.008 0 40 IKAB O=C(C1CCCC1)N1CCc2c([nH]c3ccccc23)C12CCN(Cc1ccccc1)CC2 57731753 GZIMCAVPTKANBZ-UHFFFAOYSA-N 427.592 5.234 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CCCCC1 72215768 SJYPLCPLKHNMIS-VWLOTQADSA-N 449.639 6.883 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Br 72229973 TZFMVTMMBSTZBW-HXUWFJFHSA-N 446.728 5.445 0 40 IKAB Cc1c(C(=O)N2CC[C@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)oc2ccccc12 72371515 DXYVTNFSAHINSR-KRWDZBQOSA-N 449.938 5.369 0 40 IKAB COC[C@]1(OC)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(/C=N/O)cc3)C[C@@]21C 90515140 GJMNAFGEUJBOCE-KBDIQMFMSA-N 449.591 5.426 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccccc3Br)c3ccccc3C2=O)cc1C 103005239 NQWILMYNBPUBKJ-XSFVSMFZSA-N 447.332 5.706 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C=CCC[C@]4(C)[C@H]3C[C@H](OC(C)=O)[C@@]21C 118936189 NQUGTZBRUBTFLM-XVYZBDJZSA-N 430.629 5.942 0 40 IKAB COC(=O)CC[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]3[C@@H](O)C[C@@]21C 123291921 DJODDBKOSONKJI-COFWFLTOSA-N 448.644 5.137 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 222551015 IBHCFBPFIUKVOP-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 223046763 GXZAGLSCALAFBB-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N=C(C)N3CCCC)cc1 223118163 UBYFHWGOZMPPKK-UHFFFAOYSA-N 427.570 5.009 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223364558 KDTCKDHAHCMNNY-DHIUTWEWSA-N 449.963 6.069 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)C3(c4ccccc4)CCOCC3)c2)cc1 223605149 GVUJNPQTLRTOAL-UHFFFAOYSA-N 441.571 5.902 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223755928 VXKBCSIPZVCZTD-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1ccc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 224171726 ATBOLIHNYRVYLE-UHFFFAOYSA-N 430.331 5.690 0 40 IKAB CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224216606 FTWZNOROPHVRJW-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB COc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 224526694 RKAMGSNXTZQDSY-UHFFFAOYSA-N 438.549 5.046 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1CSc1ccc(C)cc1 224664759 MYZMTJYFTIQJGI-UHFFFAOYSA-N 435.545 5.725 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224665334 NKOYRTFCLQKGRJ-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 225166627 KWOUDBJMHLPRCH-LJQANCHMSA-N 445.003 5.176 0 40 IKAB Fc1ccccc1CSCCNC(=S)Nc1ccc(Br)c(Cl)c1 225412931 YZAPGBAADIOPLM-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 225528537 BDNHINQMPFOESG-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c2ccccc2O1 225586029 TWDPCPOJYTWONE-OAQYLSRUSA-N 430.951 5.110 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225587119 WZGILZPMSSAGGT-GCJKJVERSA-N 447.044 5.463 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225720949 MCMTXLBYJAKEIY-QFIPXVFZSA-N 447.044 5.463 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 225734697 ZHKJTLQCJBDYLO-HLILLCKBSA-N 446.616 5.700 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NS(=O)(=O)c1ccc(OC)c(C)c1C 225806324 RIMWZUYXLKHSJX-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N1CCCC2=C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 257198819 JBYMGGHUFOKKPL-GSPCLOLRSA-N 433.621 5.154 0 40 IKAB O=S(=O)(Cc1ccccc1Cl)N1CCC(c2ccc(Cc3ccccc3)cn2)CC1 257227599 FQAXDBWFZCNVKZ-UHFFFAOYSA-N 440.996 5.035 0 40 IKAB CN(CC1CCCCCCC1)C1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc1O2 257278901 OECZKJYCKNPEOY-UHFFFAOYSA-N 438.656 5.791 0 40 IKAB COc1ccc(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c(OC)c1 408557581 OWUXDJLBAFDGDC-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408639974 GVIZWXAQHBZSOM-SFHVURJKSA-N 434.923 5.686 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408649792 AHOWJKBWDMQEAL-QFIPXVFZSA-N 449.550 6.124 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)[C@H]2C1 408689784 ZHPPCZUSTBCCCK-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB COc1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)cc1 408750434 MXWXLZNOEDVWFE-UHFFFAOYSA-N 432.526 5.398 0 40 IKAB Brc1ccc(CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1 409006444 JNIKEDDSMBTQOD-UHFFFAOYSA-N 431.355 5.582 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 409028786 SNCUMLHHDAYHSI-UHFFFAOYSA-N 434.841 6.179 0 40 IKAB CC(=O)c1cccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)c1 409065848 UVUMUTGHZHTBEK-UHFFFAOYSA-N 426.516 5.047 0 40 IKAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OCC)c2)C1=O 409249669 KWVIUOHWFHLBPA-VCHYOVAHSA-N 449.334 5.274 0 40 IKAB CSc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409272022 XTBWPDGQFUSPSC-WPFQWDPVSA-N 440.612 6.957 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@@H]1C 725715 CVIRNRVIYGCZGX-DFBJGRDBSA-N 430.523 6.139 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 878483 CUSGXVWVGJRRAQ-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918252 HJXMPPLXHXENQN-UHFFFAOYSA-N 441.196 5.567 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 1042291 BDIOURIODAFEIN-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(CSc1nccn1-c1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 1388734 ANNWRJXOLOYOMV-UHFFFAOYSA-N 432.254 5.568 0 40 IKAB CCOC(=O)c1cnc2ccc(Oc3ncc(C(F)(F)F)cc3Cl)cc2c1Cl 1400644 ASQFPWMQWMEBHT-UHFFFAOYSA-N 431.197 5.924 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCc4ccc5ccccc5c4)n12)CCCC3 2225403 QVGVAEDJGZMWBK-UHFFFAOYSA-N 448.642 6.385 0 40 IKAB Nc1c(C(=O)OC2CCCCC2)c2nc3ccccc3nc2n1Cc1ccc(Cl)cc1 2265353 CAVFLZMZMQKQIJ-UHFFFAOYSA-N 434.927 5.358 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccc(Cl)cc1)N2)c1ccco1 2420437 IZCPYBGYFBVIRV-ROUUACIJSA-N 437.862 5.062 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)c(C)c4)c-3cn(Cc3ccc(C)cc3)c2cc1OC 2691340 RRQDUXNWNCVSND-UHFFFAOYSA-N 437.543 6.194 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc2c1CC[C@H](C)C2 2738409 SXBMRKLUHULRMU-AWEZNQCLSA-N 446.528 5.720 0 40 IKAB CCc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799262 YWGUSKVCTFZTCL-CQSZACIVSA-N 431.483 5.844 0 40 IKAB O=C(/C=C/c1ccc(I)o1)Nc1ccccc1Cc1ccccc1 3278346 ZUTKQHUFUOVFMU-ACCUITESSA-N 429.257 5.127 0 40 IKAB CCCn1c(SCC(=O)NC2CCCCCCC2)nc2sc3c(c2c1=O)CCCC3 3285758 HYGZHYVBEVLDQI-UHFFFAOYSA-N 447.670 5.068 0 40 IKAB Cc1ccc(NC(=S)NC(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1 3305476 IYRJXHQSVYDAOD-UHFFFAOYSA-N 441.350 5.677 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C 3308981 ODBCAQNHLRFPEL-UHFFFAOYSA-N 448.523 5.196 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)c[nH]c1S[C@@H](C)C(=O)NCc1ccccc1 3358653 YVBWIZVSKCXVBX-HNNXBMFYSA-N 442.968 5.309 0 40 IKAB C(=C/c1ccccc1)\CSc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 3364696 WGCICOKJCGEBOL-JXMROGBWSA-N 427.529 5.528 0 40 IKAB CCN(CC)CCCN(C(=O)COc1ccc(C)cc1)c1nc(-c2ccccc2)cs1 6511311 UERSESNDNQQHTJ-UHFFFAOYSA-N 437.609 5.262 0 40 IKAB O[C@]1(C(F)(F)F)CC(c2ccc3ccccc3c2)=NN1c1nc(-c2ccccc2)cs1 8711377 LQHAPRNSAWPMSM-QFIPXVFZSA-N 439.462 5.829 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 8755689 SUVGCFZKVOQFLH-LJQANCHMSA-N 445.950 5.576 0 40 IKAB COc1ccc(CNC(=O)CCc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 9199052 CIWUGUMHCCNXKR-UHFFFAOYSA-N 447.531 5.403 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 9308888 BFVHJKNUGVWAGO-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)NCc3ccc(F)cc3)c3ccccc32)c1 9394434 WKVYUHITSPJYTJ-UHFFFAOYSA-N 432.564 5.854 0 40 IKAB COc1ccc([C@@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 9419303 FUZIPQILYVZHJI-IBGZPJMESA-N 428.355 5.909 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2)S1 9431877 YHRWKLBQDMVIOB-PBFDUQFTSA-N 425.513 5.381 0 40 IKAB Cc1ccccc1/C=C1\SC(=O)N[C@@]12Oc1ccccc1[C@@H]1CC(c3ccccc3)=NN12 9431903 DPFINXDAQAEMFU-OYLLOQDESA-N 439.540 5.690 0 40 IKAB CCOc1ccc2nc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)sc2c1 9540949 YBGIRRWYMCWSQV-UHFFFAOYSA-N 442.393 5.026 0 40 IKAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(F)cc2)C(c2ccc(Br)cc2)=N1 9599275 YPDHNEQSIRMOLW-HXUWFJFHSA-N 448.361 5.288 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1 9613164 IAFMALHFKHAJJF-QHCPKHFHSA-N 438.556 5.329 0 40 IKAB CCCCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2c(oc3ccccc32)c1=O 9749394 BEYRILSQLSSJIU-UHFFFAOYSA-N 435.549 5.290 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 9859363 BYRMPFCQIYWCQZ-UHFFFAOYSA-N 448.569 5.068 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 9861018 SYWLLVHXTWTJRH-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)c2nnc(-c3cccs3)o2)n1-c1ccccc1 9982237 IOMQDBUSDGIECD-CQSZACIVSA-N 435.534 5.801 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 10059093 SFZXWRRPDZZGNR-HHHXNRCGSA-N 447.962 5.645 0 40 IKAB O=C(COC(=O)COc1ccc2oc3c(c2c1)CCCC3)Nc1c(Cl)cccc1Cl 10841385 LRUXMOPNRXLCGU-UHFFFAOYSA-N 448.302 5.179 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 11617418 IZYNVAWJXIIZLI-UHFFFAOYSA-N 449.146 5.836 0 40 IKAB O=C1c2ccccc2N[C@]2(C(=O)Nc3ccccc32)N1c1ccc2c(c1)oc1ccccc12 12360279 AKCRFVLXQDNNQS-MHZLTWQESA-N 431.451 5.463 0 40 IKAB C[C@H](Nc1ccc(Sc2ccc(Br)cc2)cc1)C(=O)NCC1CCCCC1 12550970 MEGYYAONICXTMC-INIZCTEOSA-N 447.442 6.097 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 12692073 VNORAIWUKDIXSW-STQMWFEESA-N 429.586 5.376 0 40 IKAB O=C(NCCc1ccccc1F)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 12869427 WXSYELCTLHFJDT-UHFFFAOYSA-N 443.909 6.148 0 40 IKAB biogenic COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1C1CC1 13112331 IEOFYWCEBQAZKS-UHFFFAOYSA-N 434.974 5.043 0 40 IKAB O=C(C1CCCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13126625 WWZWIGZHSKBNJC-QGZVFWFLSA-N 435.387 5.275 0 40 IKAB CC(C)(C)NC(=O)[C@@H](c1ccccc1F)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 13563916 KEMAZLPRTYQBIZ-OAQYLSRUSA-N 439.918 5.177 0 40 IKAB Cc1ccc2occ([C@H]3Oc4ccccc4[C@H]4CC(c5ccc(Cl)cc5)=NN43)c(=O)c2c1 13810210 HWACLPWDFOEXOK-ATIYNZHBSA-N 442.902 5.997 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 13946098 NERJBGIADJACJD-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C 14093128 GIQQZVUAVDRWDJ-KKSFZXQISA-N 436.581 5.595 0 40 IKAB COc1cccc(NC(=O)[C@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 14124000 YCQNHAFPMBVWBV-HSZRJFAPSA-N 449.601 5.658 0 40 IKAB O=C(CSc1ccc(Cl)cc1)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14128577 DKVMMIIGXOHLNA-OAQYLSRUSA-N 429.900 5.494 0 40 IKAB COc1ccc(/C=C\c2nc3ccccc3nc2OCC(=O)c2ccc(Cl)cc2)cc1 15321291 QYDRZFWTIFZGHJ-NVNXTCNLSA-N 430.891 5.724 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OC(=O)c4ccc(C)cc4)cc2)N3)C1 15947412 NCRSCDSWXAYGHR-JOCHJYFZSA-N 447.560 5.083 0 40 IKAB COC(=O)c1c(NC(=O)CSCc2c(Cl)cccc2Cl)sc2c1CCCC2 16189918 KEPYCLLQLZHYBJ-UHFFFAOYSA-N 444.405 5.592 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2)cc1 17095708 GJFFTIFYAJYHSE-UHFFFAOYSA-N 428.315 6.017 0 40 IKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c(Cl)c1 17097702 LOJVERIKDARQTN-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N\c3ccc(Br)cc3)c1-2 18011226 HLNOHYPKLPEAPV-QOCHGBHMSA-N 447.423 6.531 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(OCc2ccccc2)cc1 20238239 IODUCXQQOUQPAT-UHFFFAOYSA-N 442.378 5.900 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCN(C)C3 20328632 SJWBZHSVVNOCEB-UHFFFAOYSA-N 440.421 5.065 0 40 IKAB CCc1ccc(-c2nc(CSc3nnc(NCc4ccc(F)cc4)s3)cs2)cc1 23908448 UPKFRHITKORQSK-UHFFFAOYSA-N 442.610 6.268 0 40 IKAB CCCCSc1nnc(SCCC(=O)NC(=O)c2ccc(C(C)(C)C)cc2)s1 24757101 YQBPGXDSONWXGF-UHFFFAOYSA-N 437.656 5.167 0 40 IKAB CCCN(C(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1)C1=CCCCC1 24842845 SRWWQXNDKVIDDH-UHFFFAOYSA-N 447.608 5.177 0 40 IKAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 25917991 QBAHGYYNRCDKOM-CYFREDJKSA-N 428.561 5.320 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 25985982 WEMULAHZBHLYJH-UHFFFAOYSA-N 441.453 5.748 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@H](c1cccs1)N1CCCC1 27605669 OSMCAJZOMIFZJT-GOSISDBHSA-N 432.014 5.021 0 40 IKAB O=C(Nc1ccc2ccccc2c1)[C@H](c1csc2ccc(Cl)cc12)P(=O)(O)O 28604312 HUJXISJLAPAFBO-IBGZPJMESA-N 431.837 5.565 0 40 IKAB in-vivo Cc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 30752248 BSIKPZOGPCRWJB-AREMUKBSSA-N 430.573 5.041 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(CN2CCOCC2)c1 30870295 ZFGLLWSYIXCFDP-UHFFFAOYSA-N 430.592 5.239 0 40 IKAB CCCCN(CCCC)C[C@@H](C(C)=O)[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841533 SGJLLIYCHAVIGF-ZCYQVOJMSA-N 449.591 5.738 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc(Cl)ccc3OC)sc2c1 32118611 UUDYCRUJFBQADU-UHFFFAOYSA-N 433.986 5.428 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3ccc(I)cc3)sc2c1 32118812 YNEZVZYTNUWRNI-UHFFFAOYSA-N 436.318 5.496 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)oc2c1 32127949 JHDZGVCNSJTFFU-UHFFFAOYSA-N 440.253 5.061 0 40 IKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 32609862 SDCQTEGDGCILPL-WOJBJXKFSA-N 429.442 5.297 0 40 IKAB O=C(O)c1cc(NCc2ccc(Oc3ccccc3)cc2)c2c(Cl)cc(Cl)cc2n1 33336448 RKJCCGIPYDHRRT-UHFFFAOYSA-N 439.298 6.644 0 40 IKAB O=C1/C(=C2\C(=O)c3ccc(Br)c4cccc2c34)Sc2cc(Cl)ccc21 34134104 YJGUKUPZYHZQFD-LVZFUZTISA-N 427.706 6.152 0 40 IKAB Cc1ccccc1-c1cc2c(SCc3nc(-c4ccc(Cl)cc4)oc3C)nccn2n1 38651815 HLWCWYOWRGBINQ-UHFFFAOYSA-N 446.963 6.614 0 40 IKAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)Nc1cc2c(cc1Br)OCCO2 40103720 SRUKZPSBSRUEBR-NSHDSACASA-N 425.710 5.099 0 40 IKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 44936888 OQVDULGBTJCHAI-QHCPKHFHSA-N 443.429 5.565 0 40 IKAB Cc1cc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCC(C)CC2)c2c(C)nn(C)c2n1 72290490 FQZQTNWJSBNLMK-UHFFFAOYSA-N 445.611 5.411 0 40 IKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(O)=C32)cc1 102648169 ACWAEVCSYLUJHP-MNNSJKJDSA-N 436.599 7.922 0 40 IKAB C[C@H]1CCCN([C@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894227 SGWQTDWZVKVZQO-SUMWQHHRSA-N 428.945 5.231 0 40 IKAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl 107998187 XOWVOUNBUGUBGG-UHFFFAOYSA-N 428.728 5.351 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc(C)c1Cl 218918555 RHBCVVUCJOWKIK-UHFFFAOYSA-N 432.800 5.692 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C 219285716 XBOCRPRFZGOWML-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222504196 SBUSQRDWPZMUIT-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223162136 IFKPJPDGDWHZLQ-XMMPIXPASA-N 436.640 5.639 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223422886 UFELEYYSNPRDFQ-GOSISDBHSA-N 449.422 5.486 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223442773 VQPXOFVACLIUOO-RPWUZVMVSA-N 432.593 5.180 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1 224421028 UYJQAMODZMRXHZ-BWAHOGKJSA-N 438.483 5.790 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029199 DEZAHDDEBBGFQT-XZOQPEGZSA-N 437.996 6.219 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225135340 UUUYYYLKXCKFOY-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225522513 DCCABHGLFCZDNW-AMGIVPHBSA-N 444.619 5.803 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1C(=O)OCC 225681650 XELFEVZDXJHZCY-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 247647269 KSPIGVXMBWTYCY-KSTCTXRXSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 257260135 LBKQPUGDEITMNT-UHFFFAOYSA-N 426.944 5.942 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(Cc2ccccc2)C1 408650057 ZFOYFEPCAFJGOM-HSZRJFAPSA-N 436.511 5.619 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408659801 PMJWNCIKQQAKQK-JUJAOGAQSA-N 434.322 5.093 0 40 IKAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1cc(Cl)ccc1Cl 408661038 CQTDNJWGSWPMQD-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 408705392 DVPCJMPMTMDEMB-UHFFFAOYSA-N 432.800 5.855 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc3ccccc23)C1=O 408807486 CZXBXWOKVWVNPF-STTGBXIHSA-N 427.593 6.894 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12 408816723 KBSWPOMUTXLXPX-WSDLNYQXSA-N 447.321 6.341 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccccc1CC 409119621 XICYQVQNYKFAFD-UHFFFAOYSA-N 427.180 6.175 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3cc(C)ccc3C)cc2Cl)c1 409265283 RTDSBJQINFFWGN-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C1=O 409354785 BAYDYHYQCZDJDG-HMAPJEAMSA-N 448.544 5.069 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2c(C)cccc2C)cc1 409381709 MTSYCGCTCWFVLC-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB Nc1ccc(-c2nc3cc(Cl)ccc3n2-c2ccc(I)cc2)cc1 575414815 RCRHLDONBHQVSQ-UHFFFAOYSA-N 445.691 5.533 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(=C\c1cccs1)c1cccs1 585145833 UOWDLPLBZWLOGM-JQHXGSHYSA-N 432.607 5.897 0 40 IKAB Cc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)cc1F 643574373 SROSHUVJYUVFBB-UHFFFAOYSA-N 431.555 5.897 0 40 IKAB COc1ccc(-c2nc(-c3c[nH]c4cc(Cl)ccc34)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547205845 WJMXRUFKYVFBEY-UHFFFAOYSA-N 447.878 5.521 0 40 IKAB O=C(O)[C@@H](Sc1nccc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1 1554502580 NLQMCJHIGZBCJR-VWLOTQADSA-N 437.520 7.080 0 40 IKAB CC(C)(C)OC(=O)C(C(=O)OC(C)(C)C)[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1 2362769731 MJFZICKYIXVVDL-CALCHBBNSA-N 443.559 5.947 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 886867 AZERWIPKUVIMRO-UHFFFAOYSA-N 431.517 5.355 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1CCc1ccccc1)Nc1ccc(F)cc1 1302003 JOEGWYSWPNPPAL-UHFFFAOYSA-N 438.553 5.119 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)o1 1333623 SKLDMOFCSGZLFZ-QHCPKHFHSA-N 440.540 5.164 0 40 IKAB CC(=O)Oc1cccc(-c2csc(-n3nc(-c4ccccn4)cc3C(F)(F)F)n2)c1 1415824 UFYMYLXVIQQQED-UHFFFAOYSA-N 430.411 5.002 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)cc1 2107876 PTQYUNBIUTXVMI-INIZCTEOSA-N 428.359 7.338 0 40 IKAB O=C1c2c(sc3c2CCCC3)N[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 2170998 XXDJCBYMKKFJDL-QHCPKHFHSA-N 445.975 6.600 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccc(C)cc1 2247813 MJSKBPDWCJQFAD-FCHUYYIVSA-N 444.585 5.930 0 40 IKAB CCOP(=O)(OCC)[C@@H](NC(=O)c1cccc2ccccc12)C(Cl)(Cl)Cl 2323139 ASVZHKGQNHXEDR-MRXNPFEDSA-N 438.675 5.532 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 2703873 DOHXTASUIICAML-NRFANRHFSA-N 446.528 5.405 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1OC 2713993 JSGMOJMNEAAISV-UHFFFAOYSA-N 440.478 5.987 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 2740118 DWSOSKJXHPPFKZ-PKNBQFBNSA-N 438.376 6.152 0 40 IKAB O=C(Nc1ccccc1)P(C(=O)Nc1ccccc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 3163537 LWUSLFBPBKMCBQ-ISVJADKWSA-N 440.911 7.263 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3240419 CTCXKVCQMWFIED-INIZCTEOSA-N 433.602 6.603 0 40 IKAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)NCC(C)C)c(Cl)cc2Cl)cc1Cl 3249065 KJPNNJUWALPLDW-UHFFFAOYSA-N 449.787 5.142 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1Cl 3311325 BVIURKXOXQVALD-HXUWFJFHSA-N 447.840 6.204 0 40 IKAB CCCCc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 3672751 NMIDGHGSVHONLN-FCHUYYIVSA-N 430.386 6.589 0 40 IKAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)ccc12 6445031 APFIXVDOTHVZSM-UHFFFAOYSA-N 427.298 5.678 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 8442261 DKXAFVUPTBRPIK-LCLRXQSTSA-N 434.583 7.694 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(Br)ccc1Br 8453340 FIXWTCRILVNUOQ-UHFFFAOYSA-N 432.111 6.098 0 40 IKAB CCCC[C@@H](CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br 8453358 MOADAZDBPRCZQF-QWHCGFSZSA-N 435.200 5.312 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(Cc1cccnc1)C3=O 8846004 BJMYMQIGPPBTKL-OAQYLSRUSA-N 434.854 5.034 0 40 IKAB CC1(C)Cc2ccccc2C(CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)=N1 8856560 RIFKKECPBZWCLB-UHFFFAOYSA-N 433.524 6.140 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1-c1ncc(C(=O)c2ccc(Cl)cc2)s1 8857038 AOLCWGQQLPZADD-UHFFFAOYSA-N 433.291 6.450 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)cc1 8897554 RWYVXWSKADHVLS-HSZRJFAPSA-N 428.561 5.415 0 40 IKAB COc1ccc(Cc2nc3ccccc3n2CCCOc2ccccc2OC)cc1OC 8994116 QZCUPEPFYSXVSF-UHFFFAOYSA-N 432.520 5.122 0 40 IKAB COc1ccc(-c2nc(NC(=O)CSc3nc(-c4ccccc4)c[nH]3)sc2C)cc1 9113360 SMEGTUKZPHWDBQ-UHFFFAOYSA-N 436.562 5.248 0 40 IKAB Cc1c(C)n(C2CCCCC2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 9133897 VCHIQHPHGBFZCY-UHFFFAOYSA-N 432.553 5.635 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9235368 YCFOZWJRLJJBSK-JOCHJYFZSA-N 444.406 6.047 0 40 IKAB O=C(COc1ccccc1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 9347271 WFPDONIFXWUKBA-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB Cc1ccc([C@@H]2c3cccn3CCN2C(=S)Nc2ccc(Br)cc2)cc1 9391154 VTSXYKVFVVGNLE-HXUWFJFHSA-N 426.383 5.361 0 40 IKAB COC(=O)c1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1 9410258 FGMZLBZHHOVKEX-UHFFFAOYSA-N 438.483 5.350 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@@H](C)C[C@H](C)C3)n2)cc1 9412468 VCWBSSYKXCDGFV-IRXDYDNUSA-N 445.654 5.110 0 40 IKAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 9414010 YULAPSTZVUJJSC-SDQBBNPISA-N 444.418 5.205 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(C)c1 9508145 FTRRNLMYYANCCF-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)cc3)c3cc(Cl)ccc32)cc1 9554031 JLPHIBPBOHSNBF-XMMPIXPASA-N 440.326 5.309 0 40 IKAB COc1ccc(-c2coc3cc(OCC(=O)Nc4ccccc4Cl)ccc3c2=O)cc1 9576654 HAPCVADPLGOONK-UHFFFAOYSA-N 435.863 5.140 0 40 IKAB O=C(Nc1nnc(SCc2cccc(Cl)c2)s1)c1ccccc1C(F)(F)F 9600090 XEMUQIMEPLIFJJ-UHFFFAOYSA-N 429.876 5.755 0 40 IKAB Cc1ccccc1-c1nnc(-c2cccc(NC(=O)c3ccccc3Br)c2)o1 9668166 ARNWAJZXPLANAS-UHFFFAOYSA-N 434.293 5.727 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc2c(Br)cccc12 9906343 MCVSIXINMNLYGD-UHFFFAOYSA-N 435.730 5.088 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc(OC)c1OC 10120166 HRTIEMMXDSPTLH-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 10332180 ZEJHDJAQLWVHCG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 12160653 VGKIPOLCLWTSDN-MISYRCLQSA-N 448.533 5.166 0 40 IKAB CCCn1c(NC(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)nc2ccccc21 12564897 YXZYOIMTBXYNLO-UHFFFAOYSA-N 441.575 6.575 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@H]2CCCC[C@H]2C)cc1 12784408 XJLKUMNLQWOWAE-NQIIRXRSSA-N 444.645 5.442 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 13126627 PJISVVTYRMZXAD-FQEVSTJZSA-N 447.491 5.135 0 40 IKAB Cc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@H](c3ccc(Br)cc3)C2)o1 13302789 STVVEVRYXWFZSD-IBGZPJMESA-N 449.270 6.725 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 13997856 HZTCLKQSAZLKOT-XNTDXEJSSA-N 440.952 5.410 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 14122858 CHCNTYHAWBYJRR-IBGZPJMESA-N 439.899 6.001 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@H](c1cccc(O)c1)CC(=O)N2 15107048 UGIUTYLERCCEAR-INIZCTEOSA-N 446.450 5.507 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1cccnc1)c1nc2c(F)cccc2s1 15881799 KWZLJAUOVCZMSH-UHFFFAOYSA-N 448.342 5.501 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)c(Cl)c1 17095272 NWVCCHSTTFVPMQ-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 17095405 KCAVNFDGOPKDTN-SFHVURJKSA-N 427.500 5.991 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 19646691 OUMMAIHSPFJXKE-HOTGVXAUSA-N 447.940 5.239 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCO[C@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692898 HEUZKHDYZWUHHF-VWLOTQADSA-N 443.934 5.088 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccsc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 20058910 COHPOYDSHRYTHU-OPAMFIHVSA-N 431.517 5.577 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 20238846 FXBJASJCSHPSFI-UHFFFAOYSA-N 425.553 6.810 0 40 IKAB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 20841674 QVDGXRZENJEJRK-QGFMHUBQSA-N 449.186 5.583 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNC[C@@H](O)c2ccccc2)cc1 20874631 TUCXPKRUVVVVED-JOCHJYFZSA-N 426.354 5.160 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1csc(COc2ccc(F)cc2)n1 23079870 FNIUKIICUVZHIT-UHFFFAOYSA-N 425.254 5.015 0 40 IKAB Cc1ccc(C(=O)Nc2sc(-c3cc4ccccc4oc3=O)nc2-c2cccs2)cc1 27562116 NMKAQWAGZADJGT-UHFFFAOYSA-N 444.537 6.206 0 40 IKAB Cc1ccc(CN(C(=O)c2cc(=O)c3cc(Br)ccc3o2)c2ccccn2)cc1 27794535 XYDZKMMQEPAITN-UHFFFAOYSA-N 449.304 5.106 0 40 IKAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cc(Cl)ccc2C)c1 28534863 ZEHBMFOUGIVSRO-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl 32609554 GCJMBXYFFPOXDN-NRFANRHFSA-N 436.294 5.845 0 40 IKAB Cc1ccc2c(CC(=O)N(C)[C@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1C 32900319 FEHPCRBUGUHTHW-HXUWFJFHSA-N 440.543 6.064 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl 35386872 OOOWDVRJRNRTKP-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB C[C@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 35930630 LBMQWGLSKLHDSA-MQZDDTPHSA-N 445.606 7.163 0 40 IKAB Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@H]3CCC[C@@H]32)cc1 36377920 QZEOZXJABDDEGH-MVSFAKPFSA-N 427.591 8.372 0 40 IKAB in-vitro COc1ccccc1[C@H](C)N(C)C(=O)c1cc(Br)c(Br)s1 40069847 NRYGVPJOKGDGFB-VIFPVBQESA-N 433.165 5.115 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@H]1CCO2)Nc1ccccc1C(F)(F)F 49030452 QUTHDZHJIWTYPT-HNNXBMFYSA-N 433.430 5.127 0 40 IKAB Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccccc5F)c4oc3=O)n2)cc1 57354726 MMUYMYIWLLGPLI-UHFFFAOYSA-N 428.419 5.537 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(F)cc1Cl 57487269 VUMASBVRVDTFTM-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 60208326 VIZJQINRZVWLNJ-JOCHJYFZSA-N 430.895 5.483 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C)c1cccc(C)c1 67209046 DSARWKITHCVJFP-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72215198 RZDOJOPYBONIJZ-INIZCTEOSA-N 435.565 5.109 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 72333666 UJBQHSAHUNFKMK-UPVQGACJSA-N 433.349 6.174 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)Nc3ccccc3CN3CCCC3)sc3ccccc23)C1 72352606 WVUNHTCSCQSAQR-FQEVSTJZSA-N 447.604 5.085 0 40 IKAB C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccccc1Cl 84667946 PBQGSSIUGBITSQ-NSHDSACASA-N 439.730 5.328 0 40 IKAB CN(C(=O)c1ccccc1)C1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1cccc(Cl)c1Cl 95464383 FWMOJKCOAMMFSY-YOFSQIOKSA-N 445.390 5.220 0 40 IKAB COc1ccc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c(OC)c1OC 101429173 CNKQJKURHKNBEP-RUZDIDTESA-N 431.513 5.963 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1CCOc1ccccc1 106755326 RKKWXCTUKNBIMI-ZHZULCJRSA-N 425.893 5.715 0 40 IKAB COc1cccc(-c2ccc3c(N)c(-c4nnc(-c5ccc(Cl)cc5)o4)sc3n2)c1 215678747 CZUXEKLSVBFMGP-UHFFFAOYSA-N 434.908 5.925 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(F)(F)F 216364834 HLWFSWUSDMFVCY-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB CCCOc1ccccc1CCCNC(=O)COc1ccc(Cl)cc1Br 218857511 JNAWNIVLYGTDTO-UHFFFAOYSA-N 440.765 5.019 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 223095464 LJOSJJILHKQPOX-LJQANCHMSA-N 447.044 5.215 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc3ccccc3c2)c1 223652411 UMUWKYCUDGMECL-UHFFFAOYSA-N 439.920 6.095 0 40 IKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1C 224018819 CFFINYVXRSCWEU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(C(C)(C)C)cc3)c2)c1 224078022 FAYJENYZPBHVEE-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1Cl 224157984 SVTZLIQIAAAOBN-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 224214283 LZUJIUSIPAJQPW-ZEQRLZLVSA-N 443.597 6.311 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1C 224263432 PPCVSRDOZNBMOQ-BJKOFHAPSA-N 428.561 5.318 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 224292522 GLVOZFZPKDPEDS-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 224431064 XPFAYSVXOLRAAK-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc(Cl)c1 224490777 ZNOJWGSCFYLJLG-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224546060 ZRZPFXFLWHAOMY-UHFFFAOYSA-N 439.386 6.096 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1CSc1ccc(Cl)cc1 224674716 QWHWUVBGABADQH-UHFFFAOYSA-N 433.907 6.562 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)ccc1F 224909904 OLXYYASFLSEZSM-RPWUZVMVSA-N 429.520 5.966 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225015243 WBPCJLKMYZRKFA-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3c4c(cccc24)CC3)c1 225202858 ZBEVXNYEMPVKLH-JLPGSUDCSA-N 438.552 5.718 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 225379050 MMXPUKNPDZGWFM-SANMLTNESA-N 434.624 5.145 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225552638 OVCLYFXAYXSDPM-AMGIVPHBSA-N 444.619 5.803 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OC(C)C)c4ccccc34)Cc3ccccc3C2)cc1 225933816 DVDNODWXSVKINE-UHFFFAOYSA-N 435.567 6.611 0 40 IKAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 227147854 NWWRGLZILNGDJF-UHFFFAOYSA-N 439.668 5.345 0 40 IKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c1 257203986 ASNCVKILEAMUHV-UHFFFAOYSA-N 446.934 5.885 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc(Cl)c(Cl)c2)cc1 257257799 KRDPAPBXUGVKDR-UHFFFAOYSA-N 444.314 5.821 0 40 IKAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 408613555 YBDZETLKRIRLNH-SANMLTNESA-N 442.559 5.026 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2cccc(C)c2)cc1 408724967 NHQBIKOOJJQVCL-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB O=C1S/C(=C\c2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N1c1ccccc1 409358755 NSHRAMLZXZEQTJ-YBEGLDIGSA-N 427.844 5.302 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c2ccccc12 585091744 HYJNQQXNHHYATJ-UHFFFAOYSA-N 437.539 6.008 0 40 IKAB Cc1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 627645 GACPAJWCHCKERD-UHFFFAOYSA-N 432.447 5.648 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 869009 CCVBJEGEIUJLEJ-HSZRJFAPSA-N 440.952 5.197 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C 884574 CGWGJQODTHLWOV-UHFFFAOYSA-N 439.650 5.416 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 888261 VOXAFLGBJYGGLP-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O 1224971 RVOSZECOBFPGEZ-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB Cc1nc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@@H](C)C4)sc1C 1377313 XKCAGZVLWSEBSQ-SNVBAGLBSA-N 444.651 5.498 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 2074103 VPQCNVWSTZNNRE-UHFFFAOYSA-N 449.963 6.080 0 40 IKAB CCCCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 2348483 VMRABXWYZXTXCX-UHFFFAOYSA-N 444.644 6.858 0 40 IKAB CC(C)COP(=O)(OCC(C)C)[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 2376985 PMZRLTDDRMXROF-NRFANRHFSA-N 444.339 7.642 0 40 IKAB C[C@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2633595 MMKMFRUCOQEZRP-INIZCTEOSA-N 427.422 5.485 0 40 IKAB O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1cccc(C(F)(F)F)c1 3111102 LGFQVJLLXGIYMS-UHFFFAOYSA-N 441.396 7.128 0 40 IKAB O=C(c1ccc(Cl)cc1)c1cc(C(=O)C(Cl)(Cl)Cl)[nH]c1Br 3134921 BMCNQIWVUWOWCD-UHFFFAOYSA-N 429.912 5.215 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(C)c1 3246506 VSZWJPNQGJLMCG-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@@H]3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 4104801 JVNLDEJCBDVFDF-KYMXVPGMSA-N 444.744 7.221 0 40 IKAB biogenic,in-vitro CCc1ccccc1NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 6135485 QAMAIOVIQUKEEP-UHFFFAOYSA-N 433.621 5.931 0 40 IKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 7060311 CLXHINGQNPWLQZ-UHFFFAOYSA-N 448.975 6.362 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3cccc(Cl)c3Cl)c2c1 8383417 IPIKRQQXMZVUAU-UHFFFAOYSA-N 439.317 7.162 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 8438992 NURWEEMTLJFITE-MRXNPFEDSA-N 435.545 5.910 0 40 IKAB COc1cc(Br)cc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@H]21 8717640 SEBAKERYNNEOBM-WAPLAKNRSA-N 431.330 5.501 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 8836580 GJGITQDONOYNTN-UHFFFAOYSA-N 446.551 5.011 0 40 IKAB COC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8867208 OHAQRXFDHWZILB-VWLOTQADSA-N 442.544 5.089 0 40 IKAB Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 8926075 HUPNDBDKAZNNBE-KOEQRZSOSA-N 428.532 5.439 0 40 IKAB CC1=C(CC(=O)Nc2cc(C)ccn2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 8990910 LYEMRIALSVIZSG-WNGLBVNJSA-N 446.547 5.623 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC 9186337 MCCZOIDKCICXLA-UHFFFAOYSA-N 435.451 5.758 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@H]1CCCO1)C3=O 9215662 BXSSWESYNWFMBY-JLTOFOAXSA-N 444.314 5.132 0 40 IKAB COc1ccc([C@@H](NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c2ccccc2)cc1 9222540 SBDLTHQRKAJKIB-DEOSSOPVSA-N 442.540 5.528 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 9363808 ULCYOQQFCCTUEA-UHFFFAOYSA-N 435.936 5.687 0 40 IKAB Brc1ccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)cc1 9478422 ZBRKPDJBEIBXHP-UHFFFAOYSA-N 426.339 5.641 0 40 IKAB Cn1ccnc1C(=O)c1cc(SCc2csc(-c3ccccc3)n2)nc2ccccc12 9491928 CCXIUBVIHYIKJT-UHFFFAOYSA-N 442.569 5.615 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9545875 YBKBGOYAIFXNQX-GOSISDBHSA-N 426.545 5.175 0 40 IKAB CCOc1ccc2nc(S[C@@H](C(=O)Nc3cc(C)on3)c3ccccc3)sc2c1 9583639 UCZVYEQQRIHZAG-LJQANCHMSA-N 425.535 5.464 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 9603172 DGGLCVOOOIQUHJ-NRFANRHFSA-N 428.517 5.146 0 40 IKAB COc1cccc(NC(=O)c2c(NC(=O)c3ccc(C(C)(C)C)cc3)sc(C)c2C)c1 9805383 HIVWVTBRNUIHGH-UHFFFAOYSA-N 436.577 6.176 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C)cc3)c2c1=O 9948955 FBPBYNSCMCLWGN-QGZVFWFLSA-N 431.561 5.586 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1)c1ccc2c(c1)OCO2 10002886 ODZSBCODBVNJDL-UHFFFAOYSA-N 427.243 5.783 0 40 IKAB COCCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nc2ccccc21 11490009 JPKCNYBNAZGFCP-UHFFFAOYSA-N 441.578 5.116 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cc(Cl)cc(Cl)c1 11617277 YWWMHEMLGRTYSY-UHFFFAOYSA-N 434.167 6.193 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)O[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc2)n1 12530392 HYHAHFFFHBOEOB-HHHXNRCGSA-N 449.510 5.751 0 40 IKAB COc1ccc(C)cc1-n1c(SCc2c(C)noc2C)nc2sc(C)c(C)c2c1=O 12566667 QEYNXKHUDLSNMF-UHFFFAOYSA-N 441.578 5.278 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 12566733 JZLXUWHXHKVYJG-UHFFFAOYSA-N 432.343 5.033 0 40 IKAB Cc1sc2nc(C(C)C)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2c1C 12636714 QCXFRYMNOQQNBC-UHFFFAOYSA-N 439.528 6.181 0 40 IKAB Cc1ccc([C@H](NC(=O)CN(Cc2cccs2)C[C@@H]2CCCO2)c2cccs2)cc1 12797259 YXCSJRYPCIVNJA-RDPSFJRHSA-N 440.634 5.005 0 40 IKAB O=C(c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCc2ccccc21 13669764 RVYGYGCXWYNAFW-MHZLTWQESA-N 442.584 5.096 0 40 IKAB CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@H]2c2sccc2C)cc1 13943025 MXTOZMICWYENAR-DEOSSOPVSA-N 432.549 5.251 0 40 IKAB COc1ccc(CCN2C(=O)C3=C(CCCC3)[C@@H]2c2c(C)n(C)c3ccccc23)cc1OC 13945662 XGDXSKOQQJAEBZ-HHHXNRCGSA-N 444.575 5.501 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 13946111 PPBIQVRNQXDWNJ-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1C 14269700 RMYUXSBWPBYFEX-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB c1ccc(CCn2c(Cc3cccs3)nnc2SCc2nc3ccccc3s2)cc1 15912526 FEVIPNYTURDSGN-UHFFFAOYSA-N 448.642 6.075 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cncc(Br)c4)nc3c2)cc1 16193239 JWLDWHXNDNWIRX-UHFFFAOYSA-N 438.281 5.303 0 40 IKAB O=C(Nc1ccc(Sc2ccc(NC(=O)c3cccs3)cc2)cc1)c1cccs1 16430589 MPLJTOCBDIYZOU-UHFFFAOYSA-N 436.583 6.465 0 40 IKAB Cc1cc(Nc2ccccc2)nc(Nc2ccc(NC(=O)CCC3CCCCC3)cc2)n1 17013060 CNJJYMMWXVLOOJ-UHFFFAOYSA-N 429.568 6.571 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17101123 AYNUQGNOSYOEAO-UHFFFAOYSA-N 437.304 5.094 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)Nc1ccccc1 17190628 VHKKYOKKRDJCDA-UHFFFAOYSA-N 443.507 5.286 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@@H]3CC=CCC3)CC1)N2 19084094 FVTAONSUNSXGIK-ZIFCJYIRSA-N 438.538 5.063 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)cc1 19531233 LIFRVRWSVURYTI-QGZVFWFLSA-N 447.457 5.106 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nnc1-c1cccc(C)c1 19927656 PRKFGEXZFIVMHR-UHFFFAOYSA-N 446.363 5.923 0 40 IKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](NCc1ccccc1)c1ccc(F)cc1 20812983 ISPYDUOLRBHRMZ-SANMLTNESA-N 447.446 6.965 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 21355462 LSADUFKEXWUMKO-FBXSJCODSA-N 441.622 5.018 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236787 MFANEIVCZUBMIB-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 25852009 WQMLTXSGMVGCFB-HXUWFJFHSA-N 427.529 5.375 0 40 IKAB CC1CCN([C@@H](CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2cccs2)CC1 27575171 LKUCFZXJJXVBDA-FQEVSTJZSA-N 441.572 5.064 0 40 IKAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27744584 HODDSRLPDIBHOA-QHCPKHFHSA-N 428.532 5.527 0 40 IKAB CN1C(=O)[C@@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)c2ccccc21 32097220 XHNZWYOLENUNSY-QFIPXVFZSA-N 438.892 5.021 0 40 IKAB COc1cc(C(=O)N(C)[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc(OC)c1OC 32593875 YZTMJBUZQSBLSW-XMMPIXPASA-N 430.504 5.055 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)c12 32902906 WUNRYVJHHFMDTL-UHFFFAOYSA-N 433.600 5.417 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 33000625 HHJARYHTDVVGMO-UHFFFAOYSA-N 433.986 5.809 0 40 IKAB COc1ccc(NC(=O)COc2cccc(-c3noc(-c4ccccc4Cl)n3)c2)cc1 33327293 CHPWAZQHQZXPCL-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCCC1 33571311 LAIBYCOAOIEPPF-JXMROGBWSA-N 435.749 5.363 0 40 IKAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1Cl 35128908 AELRLIZSQUUZOU-UHFFFAOYSA-N 428.728 5.351 0 40 IKAB Cc1ccc(CSCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 44883403 MEHYWBQXILKMLE-UHFFFAOYSA-N 437.630 5.829 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 45738895 XRZPRBQDXQSWJU-UHFFFAOYSA-N 428.561 5.151 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Br)cc4)ccc32)cc1 46078567 ROMIZEWLQIWLNJ-UHFFFAOYSA-N 449.348 5.603 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 57316063 IHPVZDOPLLTSPJ-GWKQRERASA-N 448.588 5.910 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1ccc(Cl)cc1 59417216 NWKNUZNYOVWYTJ-UHFFFAOYSA-N 426.221 7.057 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1-c1ccc(F)cc1 67259217 VWELYBCVEJBPEB-UHFFFAOYSA-N 430.426 5.836 0 40 IKAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@@H]2CCOC(C)(C)C2)c2ccccc12 96116787 VSDKNURJXFKBEG-QVKFZJNVSA-N 437.565 5.354 0 40 IKAB O=c1[nH]c2c(s1)[C@@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100864321 MOXDDWKSQCILQK-LBIUBCRASA-N 430.598 6.237 0 40 IKAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O 107146140 MDPMFSADSSYKMA-YTZAWJCFSA-N 444.531 5.108 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](NC(=O)c1ccccc1)C(C)C 107596734 WQRWXWCIVPWBBR-LJQANCHMSA-N 428.989 5.371 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914692 PECVQXJSAFWCOS-LFFUYKMPSA-N 446.716 6.822 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccc(F)cc1 214233872 GZYKVYQNWZEORL-YBFXNURJSA-N 447.409 6.341 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 222549756 DIAXIYXSHRIPIH-JPYJTQIMSA-N 445.003 5.003 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 223181528 ZYAUMIBIOYFNGI-QFIPXVFZSA-N 426.626 5.199 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C 223382916 QCWKNOLKWPXODB-GOSISDBHSA-N 433.614 5.607 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223752869 UGVWLLOTIGUBEB-OAQYLSRUSA-N 428.576 5.249 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1 223929113 SKSZAKYVJOVXDF-UHFFFAOYSA-N 442.496 5.639 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224224153 IINSQTUCSXYDGA-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224311138 PRZSSRNTTSRVJX-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224331424 OUWDSHOLYULSSO-DNQXCXABSA-N 428.561 5.264 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 224346781 KDQKEXDEOOKGQK-DQEYMECFSA-N 439.588 5.066 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224440005 FZFKJEKYFNEOGS-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(Cl)cc1 224501306 NLZXWBGVSJCBKZ-UHFFFAOYSA-N 425.868 5.299 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224624923 XFFCHVURMWNVBO-DNQXCXABSA-N 427.529 5.952 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COCc1ccccc1 224748348 GTTQGVCJAHRONF-UHFFFAOYSA-N 429.438 6.073 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c(OC)c1 224801898 PSDJQJBPYGQVRF-ZEQRLZLVSA-N 448.592 5.193 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225168667 CQPKFVBSDQWFHI-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1ccc(Cl)cc1Cl 225325664 HPJHYRMNMYMJGB-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225529485 CIIVZNRIASYRRR-XUZZJYLKSA-N 440.653 5.508 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225577482 ZRJOARXCURXLPP-BWKNWUBXSA-N 438.612 5.219 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 257201082 AGFGSQZJYFTLMB-IBGZPJMESA-N 440.547 5.182 0 40 IKAB CCN(Cc1ccccc1-c1ccccc1OC)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1 257264361 LUAZTSXFUMKERS-XMMPIXPASA-N 436.640 5.606 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(C[C@H](O)CC)n1 257314301 UWHTXCRBJHHFAM-LJQANCHMSA-N 426.488 5.004 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC(c3ccc(Cc4ccccc4C)cn3)CC2)cc1 257314424 UWWWGQUIFYOFDK-UHFFFAOYSA-N 442.603 5.673 0 40 IKAB CCOC(=O)c1c(NC(=O)CSCc2c(Cl)cccc2Cl)sc2c1CCC2 408563452 AKORJDCKZLODPG-UHFFFAOYSA-N 444.405 5.592 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OCC 408622575 RHOADLAUFINLBZ-UHFFFAOYSA-N 439.939 6.881 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 408677788 RNQOSJRIFXKRIZ-UHFFFAOYSA-N 432.907 5.788 0 40 IKAB CC(C)(C)c1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc(C(C)(C)C)c1O 409007123 OAAVBZMTDBRZNS-PGMHBOJBSA-N 437.605 6.266 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\SC(=O)N(c2ccccc2Cl)C1=O 409055154 CYTCJLJIFVNNJF-YBEGLDIGSA-N 438.730 5.742 0 40 IKAB O=C(Cn1nc(COc2ccccc2)oc1=S)N(C1CCCCC1)C1CCCCC1 409161795 AYSYVOKPJWAQSE-UHFFFAOYSA-N 429.586 5.279 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409169052 PIQAKNHZBTYMLJ-UHFFFAOYSA-N 443.956 5.264 0 40 IKAB CCCc1sc(NC(=O)CC[C@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409198801 LBNGPJYMXYBSIH-SFHVURJKSA-N 449.403 6.522 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1O[C@H](C)CC 409224385 JTQXYTJTCFIXIE-CAUNFOBBSA-N 439.533 5.182 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409257611 RDQACOLOBQZLQI-OAQYLSRUSA-N 446.450 5.325 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1S(=O)(=O)Nc1cccc(C)c1C 409382334 RXQLEMRFMIWXTK-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1S(=O)(=O)Nc1cccc(C)c1C 409409002 FRFIZVMTULYNJC-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CCCCC2(CCN(CCC(C)(C)C)CC2)C(=O)N1 643579256 VIFVCPNKUXFBRG-DEOSSOPVSA-N 442.688 5.841 0 40 IKAB CC(C)(C)c1cc(CCC(=O)N2CCC(Sc3ccccc3)CC2)cc(C(C)(C)C)c1 1889091773 YUYYZUYRAJVNOK-UHFFFAOYSA-N 437.693 6.998 0 40 IKAB CCOC(=O)c1c(NC(=O)c2c(C)nn(-c3ccccc3)c2Cl)sc2c1CCCC2 867438 VLNIKSLHVWIKKV-UHFFFAOYSA-N 443.956 5.203 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 875403 ZUEFSIXFXMLHPS-IBGZPJMESA-N 445.588 5.376 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)cc2c1 879857 NIENVQKGJRGHHI-UHFFFAOYSA-N 447.535 5.075 0 40 IKAB COc1cc(C(=O)Nc2ccc(-c3csc(-c4ccccc4)n3)cc2)cc(OC)c1OC 936141 SSSZNSCOJCNBGY-UHFFFAOYSA-N 446.528 5.755 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)cc2)c(C)c1NC(=O)c1ccc(Cl)cc1 1082431 GWSIACINCNZFSH-UHFFFAOYSA-N 427.331 6.423 0 40 IKAB Clc1ccccc1CSc1cnnc(Cl)c1SCc1ccccc1Cl 1693178 LLIMUFIOYOLDTR-UHFFFAOYSA-N 427.809 7.021 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 1872844 JIVHKINFMNVMCW-UHFFFAOYSA-N 427.931 6.071 0 40 IKAB CCCCCOc1ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc2c1 1913157 LNZFIMQGXISEPO-UHFFFAOYSA-N 426.818 6.827 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@H](C)C(=O)OCC 2105847 XMITWGLVTFYIQT-MRXNPFEDSA-N 443.565 5.678 0 40 IKAB biogenic COc1cccc(-c2nc(C(=O)NCc3ccc(F)cc3)cc3c2[nH]c2ccccc23)c1 2112637 NUJMVNSIZVSLQH-UHFFFAOYSA-N 425.463 5.461 0 40 IKAB biogenic CCO[P@@](=O)(SCC)SCc1nc(OCc2ccc(Cl)cc2Cl)no1 2154312 XGNIXVTVPNSKIZ-QHCPKHFHSA-N 443.314 6.086 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 2202796 CNRCZZUZMKBIEH-HNNXBMFYSA-N 439.965 5.310 0 40 IKAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1ccc(Cl)cc1 2266209 AXLLTBXQVGEVNY-UHFFFAOYSA-N 431.858 5.201 0 40 IKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1C(C)(C)C 2448247 BUSIOGJCLHEMGK-UHFFFAOYSA-N 438.597 5.214 0 40 IKAB COC(=O)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)c1ccccc1 3354052 LDIVNXGMHXVSBW-JOCHJYFZSA-N 429.545 5.558 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658661 PIMCEMQGDVVKQP-FQEVSTJZSA-N 435.524 5.660 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(C)C(=O)c2ccc(-c3ccccc3)cc2)CCCCC1 4084080 VFJQLCNYWGRKBR-UHFFFAOYSA-N 440.587 6.384 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4371546 BMFRSUUPDIARMS-YMTBTCCCSA-N 429.626 7.437 0 40 IKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4561816 NTPVNNGNFGYPRG-RAHIQWLESA-N 426.604 7.212 0 40 IKAB CC(C)(C)C(=O)NCCc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 5235885 ACDHODYVZJSQEN-UHFFFAOYSA-N 427.976 5.254 0 40 IKAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccc(-c2ccccc2)cc1 6173640 KSLOYHGQFBPCJU-UHFFFAOYSA-N 430.529 6.009 0 40 IKAB CCn1cc(/C=C2\N=C(c3ccco3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 8771510 WSEBVESBZWYSGG-JLPGSUDCSA-N 448.526 5.608 0 40 IKAB COc1ccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1OC 8772052 CLFYILNJUVLDCR-LJQANCHMSA-N 434.923 5.400 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 8831999 JUBYRNIUWCJEBA-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccccc1F 9086151 DPRJHEKEVFEADQ-QFIPXVFZSA-N 433.552 5.448 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4C)cc3n2)cc1 9252472 CKRIKVGBTDZVRI-UHFFFAOYSA-N 442.563 5.706 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccccc3c2=O)cc1OC 9327643 LHXFCPYDXLMIBH-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB CC(C)n1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccco1 9329077 KTVAFRRRWZZQEA-UHFFFAOYSA-N 448.573 6.041 0 40 IKAB Brc1ccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1 9345172 MQMUVKKABOHRHE-NRFANRHFSA-N 430.309 5.755 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(-c2ccccc2)cc1 9354576 AWXNZMXINLWCLU-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccccc1OCc1cn2ccccc2n1 9366915 ZQRVGRATTQZCLP-UHFFFAOYSA-N 426.520 5.156 0 40 IKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 9427305 FMQRFYIBVSQAIH-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 9496695 WAERNMHOLFRCIF-OAHLLOKOSA-N 438.940 5.359 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 9782884 INHFTHPTMODTNQ-IAGOWNOFSA-N 431.536 5.794 0 40 IKAB Cc1ccccc1Cn1c(=O)n(-c2ccccc2Cl)c(=O)c2sc3ccccc3c21 9959711 AHODJZAWPXMIJT-UHFFFAOYSA-N 432.932 5.377 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 9972613 FSKBQZZIWIPMKG-DKNZLLBESA-N 445.968 6.071 0 40 IKAB CC1CCN(c2ccc(NC(=O)CN[C@H](c3ccc(F)cc3)c3cccs3)cc2)CC1 12595320 FNLHOCYKFXYOER-RUZDIDTESA-N 437.584 5.441 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c1 12600846 AQHKIHRFLKSRRK-ZIAGYGMSSA-N 438.578 6.135 0 40 IKAB Cc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 12617446 BUTAOKSAUSHZIE-RXVVDRJESA-N 425.351 6.061 0 40 IKAB CC(C)n1cc(C(=O)N(C2CCCC2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cn1 12644995 JZMQMLWMPVFULB-XMMPIXPASA-N 436.600 5.039 0 40 IKAB COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c1 12952923 IFITXCVHHJBNMO-KPKJPENVSA-N 428.315 6.233 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1-c1ncc(C(=O)c2ccc(Cl)cc2)s1 12953403 RNBKFBKSRBQQNR-UHFFFAOYSA-N 449.746 6.965 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N1CC=C(c2ccccc2)CC1 12987822 IIHYRCRRLVJQDB-UHFFFAOYSA-N 437.568 5.705 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccccc2F)cc1 13096459 OOEAVGUALZBWBB-UHFFFAOYSA-N 439.508 5.101 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(N3CCCCC3)cc2)c2c(C)c(C)sc2n1 13135383 QQUMFHBVEMMYTD-UHFFFAOYSA-N 426.611 5.338 0 40 IKAB CCOc1ccc(-n2c(CSc3nc4ccccc4o3)nc3ccccc3c2=O)cc1 13147980 YQODAVKLJJEJOJ-UHFFFAOYSA-N 429.501 5.218 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(Cl)c(Cl)c1 13946055 BJRUDYYRANIHBE-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)no1 14141805 OVTOJRREPPKLAM-QGZVFWFLSA-N 449.601 5.905 0 40 IKAB Cc1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(=O)n(-c2ccccc2)n1C 14876935 PNWWRQRKAJQPGT-UHFFFAOYSA-N 442.302 5.304 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Cl)c1OCc1ccccc1 16605814 PSSRNHKFCGEPEH-AEXOJCPESA-N 440.027 6.766 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 16638960 LFAHIXHDTCQTTB-WYMLVPIESA-N 437.923 6.517 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 16733612 LFEBJETXWVGQNQ-MFKMUULPSA-N 448.828 6.014 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccccc3N3CCN(C)CC3)o2)cc1Cl 17099875 GVAMIDFKFIRBSV-ZRDIBKRKSA-N 435.955 5.312 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(N4CCOCC4)cc3)c2)cc1 20457838 AEKMEAYQBYJOLD-UHFFFAOYSA-N 442.559 5.304 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)[C@H](C)Oc4ccc(Cl)cc4Cl)cc3n2)cc1 20609993 UGSORUGWSDSTKM-AWEZNQCLSA-N 441.318 5.442 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 23485359 YVBTXBWAFIJJDB-IBGZPJMESA-N 449.626 5.905 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCc1csc(-c2ccc(Cl)cc2)n1 28288528 OFQXYIZQSZYIDP-MRXNPFEDSA-N 443.012 5.887 0 40 IKAB CC1=C(c2ccccc2)[C@H](c2ccccc2)C(/C=C\c2ccccc2)=NC=C1c1ccccc1 31740083 WNVFKEPKFBWOQI-GMSWVHROSA-N 437.586 8.453 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccccc3-c3nc(-c4ccc(C)s4)no3)no2)cc1 32594143 CPULZHKELSFAHY-UHFFFAOYSA-N 442.500 5.989 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cc1 32722361 APYSMRHNOISCIV-UHFFFAOYSA-N 440.503 5.492 0 40 IKAB Cn1c(C(=O)NCCCn2ccnc2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 33435943 BGQQFRMLVWIOIS-UHFFFAOYSA-N 427.335 5.169 0 40 IKAB COc1ccc(-c2csc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)n2)cc1 33616437 VVRMDWFZMWQOKU-UHFFFAOYSA-N 438.361 5.252 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 34065269 JFSHUTJDVKUMTJ-XEGXGYEPSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OCC(=O)Nc3ccc(C)c(C)c3)c2)C1=O 34721555 IYTUUYXFTVWQJB-VYVDHXHBSA-N 438.549 5.156 0 40 IKAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)cc1Cl 34771854 OMHDHXCCWZHXBE-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)c(C(F)(F)F)c1 41021437 UMHQELCFYSTHJR-UHFFFAOYSA-N 429.225 6.239 0 40 IKAB Cc1ccc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)c(Br)c1 64471980 ZUMSTAOBOCFDMQ-UHFFFAOYSA-N 428.305 5.424 0 40 IKAB Cc1cc(C)cc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 67294986 YFDKIFUYTGBMFG-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB CCn1c(CN)nnc1Sc1nc(-c2ccccc2)nc2scc(-c3ccccc3)c12 72312233 APFSTDKLEYVMAR-UHFFFAOYSA-N 444.589 5.247 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102640702 YSZKCWIBVNWOTP-NVJIOZQYSA-N 428.576 6.244 0 40 IKAB COc1cccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1OC 102658454 BKAUOSXIBMXVIS-OAQYLSRUSA-N 448.548 5.259 0 40 IKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C2CC2)c(OC)c1 102701913 GTLUFRZIGQDXTO-VWLOTQADSA-N 446.547 5.906 0 40 IKAB CCc1ccc(-c2cs/c(=N/c3ccc(SC(F)F)cc3)n2[C@@H](C)COC)cc1 103370279 ZGSGZYHQNBCHDI-XBWRSUJGSA-N 434.577 6.534 0 40 IKAB C[C@H]1Cc2ccccc2N1/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 105884522 CCAMYUOWQVDLJK-UKEODDKASA-N 448.444 5.685 0 40 IKAB Cc1ccccc1CSc1nc2n(n1)[C@H](CC(C)C)[C@@H](C(=O)Nc1ccccc1)[C@@H](C)N2 107173586 ZCKMQPYCNDOJTK-QIJUGHKUSA-N 449.624 5.535 0 40 IKAB O=C(CCCCCCCCCCC(=O)Nc1ccccc1Cl)Nc1ccccc1Cl 107674275 MLNUYFZXBNEXCZ-UHFFFAOYSA-N 449.422 7.472 0 40 IKAB CCOc1cc(COc2c(Cl)cc(C(=O)O)cc2OC)ccc1OCc1ccccc1 107855675 MJXULTDUIMIDQT-UHFFFAOYSA-N 442.895 5.604 0 40 IKAB CC(=O)O[C@@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC1 123266602 ZHJLBJGONRECQF-VDJOWXGMSA-N 442.728 8.206 0 40 IKAB [N-]=[N+]=NCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)CCN=[N+]=[N-] 202136635 QEFFHEXDXMYUHM-UHFFFAOYSA-N 440.192 6.199 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N(C)Cc2ccc(Cl)cc2)ccc1C 216275801 PXJXEWKCYIJMMM-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222975265 RTLMYEUUKVRYJL-SFTDATJTSA-N 444.526 5.664 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 222997464 ANQVUOCOWDYZOT-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)c(Cl)c4)ccc32)c1 223083691 ORPNMZBUMVEURB-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223675742 AZRYPMPHDIGEPO-OAQYLSRUSA-N 447.044 5.197 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1nccs1 224156183 SZTYNNRZYHVVES-NHCUHLMSSA-N 431.590 5.123 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224315731 LFZILQCSHCVCEM-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 224337722 RBXCTVZVVYOQRH-UHFFFAOYSA-N 428.576 5.356 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224788959 JKMMEAZOVNQMTQ-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1C 225164416 LQROLPJWGXAMFN-DNQXCXABSA-N 447.608 5.298 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225196038 AMUDELUMOFWGEI-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1C 225768816 IDXJCOZYTMEXPN-DEOSSOPVSA-N 432.589 5.865 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC=C3[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@]32C)C1 256947253 NSCDXTUACLUGIN-XCJGZNLWSA-N 442.728 8.350 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 257201845 AJGQIDPSXIWJID-IBGZPJMESA-N 449.520 6.259 0 40 IKAB Cc1cccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)c1 408572051 DZBXOUINVBHEHY-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccccc2N)sc2c1CC[C@@H](C(C)(C)C)C2 408599187 FQTBXMPEPIQODW-CQSZACIVSA-N 446.638 5.389 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1C 408642479 MXXFFNNVLXAXPM-IBGZPJMESA-N 448.950 6.049 0 40 IKAB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 408720289 KWTCFPZJWSDUHS-XLHSGLJYSA-N 447.534 5.402 0 40 IKAB COc1ccc(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)cc1OC 408828650 NJYLXNYARKRJNJ-UHFFFAOYSA-N 444.556 5.906 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2ccc(Cl)cc2)=N1 408990591 OEXWDIULUXZQCS-HSZRJFAPSA-N 447.991 6.186 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1ccccc1 409024611 GKEPUURBJAUGGA-MOSHPQCFSA-N 447.874 5.302 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 409109401 CYYDVZBCQJLXKV-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1cccc2ccccc12 409117733 MLJBWMIGCYIGSR-UHFFFAOYSA-N 445.990 7.645 0 40 IKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1C 409121120 YLJNOSLYMQWKEM-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cc(C)cc4C)C3=O)c[nH]c12 409372278 DCXARVRWVKSPTJ-JAIQZWGSSA-N 447.560 5.331 0 40 IKAB C[C@H](CCc1ccccc1Cl)NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037845874 MLEJAEBSDSTBEN-QGZVFWFLSA-N 441.978 5.773 0 40 IKAB COc1cccc(C(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)c1 993181 OWKSMFBUCNGQQP-UHFFFAOYSA-N 425.484 5.567 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2212013 ALKIZMJJDQNWBR-IBGZPJMESA-N 440.421 6.114 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3nc4c(cc3c2=O)COC(C)(C)C4)cc1 2306570 AJAVITVJVFGWHZ-UHFFFAOYSA-N 443.572 5.233 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccn2)cc1 2324009 QFQSMILHTBWXNN-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1nc(SCc2ccc(Cl)cc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 2448175 QTMKUJQXARFGNW-UHFFFAOYSA-N 442.009 6.345 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1 2711578 RNFORHKJIYENEO-UNOMPAQXSA-N 440.318 5.946 0 40 IKAB Clc1ccc(Oc2cc(CSc3ccc(Cl)cc3)nc(-c3ccccc3)n2)cc1 3104479 ZPTGGKKPMBWYKW-UHFFFAOYSA-N 439.367 7.535 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3209809 WSIDNMPRJNQGNM-UHFFFAOYSA-N 433.817 6.255 0 40 IKAB O=C(Cc1ccccc1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 3353947 HDVGZTZXXZPACZ-UHFFFAOYSA-N 426.513 6.518 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)n1C 3379172 OKAARQHDNMJTOA-PWSUYJOCSA-N 439.368 5.048 0 40 IKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)c1ncnc2sccc12 3440245 JWNLLNOOARXHNV-UHFFFAOYSA-N 445.979 5.893 0 40 IKAB O=[S@@]1c2ccccc2N=C(c2cccc3ccccc23)C[C@@H]1c1cccc2ccccc12 5722293 XEQHCUIOXUKJOJ-PPTMTGTBSA-N 431.560 7.366 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 6860752 PMRBXMMIKIHNQK-UHFFFAOYSA-N 434.609 5.667 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 8072034 KLSZWPXDVJMIJV-UHFFFAOYSA-N 430.976 6.172 0 40 IKAB CCCc1oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2c1C(=O)OCC 8439271 FTUPWIIRAWIAGE-UHFFFAOYSA-N 437.517 5.516 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)nnc1-c1ccco1 8620650 HJJKWXNGBKTKJU-QGZVFWFLSA-N 432.549 5.195 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccc(C)cc2)cc1 8670328 OSHNRYNXZWXDLB-VWLOTQADSA-N 446.547 5.352 0 40 IKAB COc1ccc(CNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 8705595 MQZTWQMHGXEBID-UHFFFAOYSA-N 435.574 5.398 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8740883 COKVFQXVIVPJSY-GOSISDBHSA-N 431.923 5.267 0 40 IKAB COc1ccc(C(=O)N2CN(C3CC(C)(C)NC(C)(C)C3)Cc3c2sc(C)c3C)cc1 8763685 BLXYYXXGPIGFTR-UHFFFAOYSA-N 441.641 5.103 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1C 8810362 HUQDIEJILWCOSZ-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB FC(F)(F)c1cccc(COn2c(-c3ccc(Cl)cc3)nc3ccc(Cl)cc32)c1 8855387 ZSCQSIYLHYFCTN-UHFFFAOYSA-N 437.248 6.658 0 40 IKAB Cc1cccc(N2N=C(C(=O)Nc3nc(-c4ccco4)c(-c4ccco4)s3)CCC2=O)c1 9125568 SSMLYOOZVPBTHQ-UHFFFAOYSA-N 446.488 5.093 0 40 IKAB COc1ccc([C@H]2C(=O)N(c3c(C)cccc3C)CC(=O)N2c2ccc(C)cc2C)cc1 9129918 OAMHGTIONMLXDK-SANMLTNESA-N 428.532 5.050 0 40 IKAB COc1ccc(Nc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2)c(OC)c1 9409563 IVMHROGXLWEUCA-UHFFFAOYSA-N 433.460 5.238 0 40 IKAB biogenic Cc1cc(C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)[nH]2)c(C)n1C1CC1 9516507 DUHVZJAVMQVKEV-UHFFFAOYSA-N 441.603 5.441 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccccc1 9545894 XJAKXXZMADIQPZ-JOCHJYFZSA-N 444.560 5.446 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1C[C@@H](C(C)(C)C)CC2 9597947 WTAKMPLYJOLDIH-KRWDZBQOSA-N 440.975 5.593 0 40 IKAB COc1cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4)cc(=O)c3c2)cc(OC)c1OC 9660248 KMMHDWMJIRCEBP-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2C2CCCC2)cc1 9663943 OBLRELZVUPHYKK-UHFFFAOYSA-N 440.535 5.128 0 40 IKAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 9968790 MIEZCHLPGAAJAO-HSZRJFAPSA-N 426.545 5.607 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(C(C)(C)C)cc1)c1ccccc1 10433941 PTARBYITEMWJCU-FQEVSTJZSA-N 428.576 6.046 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nccn2Cc2ccccc2)cc1 11230180 PVELNTHAWXQGFR-UHFFFAOYSA-N 449.601 5.327 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667272 XAINTRUAHCNPFA-LJQANCHMSA-N 431.536 5.631 0 40 IKAB Cc1cccc(C)c1OCCCCn1c([C@@H](C)NC(=O)c2ccco2)nc2ccccc21 11667337 VWLOXHIOYLZNFG-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccccc1Cl 12062871 SKKCCNMVGHTQEC-CCEZHUSRSA-N 446.871 6.002 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@H]21 12196260 SQGDTMBVLLCXMU-KBMIEXCESA-N 434.492 5.246 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1OC 12371246 JNOOFDPCFXLRJZ-XPWALMASSA-N 445.317 6.066 0 40 IKAB CC(=O)c1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12636550 YDQZPPZBUCHMRP-UHFFFAOYSA-N 439.739 5.598 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3cccnc3)nc3nc(N4CCCC4)sc23)c(C)c1 12739272 YISFYMUNTKZXBX-UHFFFAOYSA-N 443.576 5.531 0 40 IKAB COC(=O)c1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3NC(=O)N2c2ccccc2)cc1 12788465 VDOAPLOVJBJGEV-HSZRJFAPSA-N 438.487 5.109 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)o2)cc1 12854515 XVKOYKQMZPAVGQ-UHFFFAOYSA-N 429.545 5.385 0 40 IKAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 13001339 ADNYDWVGONNMLT-HXUWFJFHSA-N 433.766 6.159 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 13026844 QKXKZOJFBHXPEA-SANMLTNESA-N 444.575 5.381 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCc3ccc(F)cc3)c2c1 13084498 SLXJQVROLRUHCC-UHFFFAOYSA-N 449.526 5.546 0 40 IKAB O=C(CSc1nnc(-c2ccccn2)c(-c2ccccn2)n1)c1ccc2ccccc2c1 13566513 KBLWTXZIUKPMQU-UHFFFAOYSA-N 435.512 5.124 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@@H](c2ccc(Cl)cc2)C1 13785627 OLZQGPCJZHUFQL-OAQYLSRUSA-N 425.315 5.994 0 40 IKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3C[C@@H]3CCCO3)c3ccccc3n2C)cc1 13942420 CXFNAUQDRCHVEY-KMRXNPHXSA-N 436.555 5.878 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1C 14153430 OOYQHZRCRPBWAC-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB CCOc1ccccc1OCCCC(=O)Nc1ccccc1NC(=O)Nc1ccccc1 14170361 GJFHJTLGHTUKCU-UHFFFAOYSA-N 433.508 5.527 0 40 IKAB COc1cc(CC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC 14576736 PVLXLFDPTDFWLW-UHFFFAOYSA-N 434.517 5.170 0 40 IKAB CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccc(F)cc1 16688507 WMWOYLDAEDJEPM-UHFFFAOYSA-N 445.332 5.251 0 40 IKAB CCc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1 16750381 XTCWAGQQNFIFQF-RUZDIDTESA-N 439.511 5.152 0 40 IKAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)cc1 16846591 ZNBNVUSPOJKJDQ-UHFFFAOYSA-N 443.525 5.046 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1 16977342 FLYWXRQRNCDSDS-UHFFFAOYSA-N 425.504 5.789 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 17095948 NJVXNYZLZQEUSN-SFHVURJKSA-N 428.532 7.048 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3ccc(C)c(C)c3)c2-c2nc3ccccc3s2)C1 17288783 PKZSJVYVXVNBIG-UHFFFAOYSA-N 447.629 6.272 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)C1 20488040 TVEDREBYEGQEJI-QGZVFWFLSA-N 435.008 5.374 0 40 IKAB Cc1cc(C)cc(NC(=O)Cn2c(=O)c(CNc3ccccc3)cc3ccc(C)cc32)c1 20940149 HUGIDRYVILZRRT-UHFFFAOYSA-N 425.532 5.178 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3)nc2c1 21100387 BDFXSIPCDWZTRM-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COCCCn1c(SCc2coc(-c3ccccc3)n2)nc2cc(Cl)ccc2c1=O 24300465 JRBYMJTWZMKJNP-UHFFFAOYSA-N 441.940 5.034 0 40 IKAB CCc1nnc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2C(C)C)o1 29867158 XLJZVNBOGGNNBU-UHFFFAOYSA-N 440.956 5.400 0 40 IKAB CC(C)(C)CC(C)(C)N(CSc1ccc(Cl)cc1)CSc1ccc(Cl)cc1 31670205 VGEPVMWVSYKROM-UHFFFAOYSA-N 442.521 8.310 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 35132273 OXLKVVAPTOWHKX-LJGDZFJRSA-N 443.978 6.944 0 40 IKAB COC(=O)c1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1 35326045 ZAVIDBBYBBWRDE-UHFFFAOYSA-N 445.950 6.162 0 40 IKAB C[C@H]1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@H](C)O1 36329873 JWVCPRQCIKOFRB-NJSLBKSFSA-N 426.866 5.148 0 40 IKAB O=C1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 37259939 XIHNGQBYDVKORK-DDAAUBIUSA-N 432.519 5.156 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38859948 XWPRWFAQKNQEOD-UHFFFAOYSA-N 429.402 5.732 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc(Br)ccc2oc1=O 40148040 PQOJSHNUIJQOPM-UHFFFAOYSA-N 436.261 5.600 0 40 IKAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)c1 46078811 CHHPMSIKMHKUGT-UHFFFAOYSA-N 432.907 5.388 0 40 IKAB CCn1ncc2c(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)cc(-c3ccccc3)nc21 48263567 UZXKCQQSZSPYEM-AREMUKBSSA-N 447.542 5.375 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 48332804 LVNUNUFKMVYPBU-FGZHOGPDSA-N 442.588 5.250 0 40 IKAB CC(C)(C)c1cnc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)o1 57992438 UWZDMZAXNRYELA-UHFFFAOYSA-N 428.945 5.818 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3c(C)ccc4nsnc34)o2)cc1Cl 59392963 OKSBHHJPTVCZJS-UHFFFAOYSA-N 442.953 5.348 0 40 IKAB O=S(=O)(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 59961022 SPXOLMPUDAPOSY-UHFFFAOYSA-N 446.410 5.718 0 40 IKAB CCCOc1ccc([C@@H](C2=C(O)CC(C)(C)C[C@@H]2O)C2C(=O)CC(C)(C)CC2=O)cc1 100511302 UCQZQYKKEPURTG-AVRDEDQJSA-N 428.569 5.126 0 40 IKAB Fc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 101489146 RSAJYZKQKRAAPJ-UHFFFAOYSA-N 445.881 5.815 0 40 IKAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N(C)[C@H](C)c2nc3ccccc3s2)c1 103993664 HQRGVXJEBXMEEN-UZUQRXQVSA-N 431.561 5.678 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCS[C@H](c4ccccc4Cl)CC3)n(C)n2)c1 206996088 KICZSMJSNPYLTR-QFIPXVFZSA-N 441.984 5.070 0 40 IKAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl 215125632 JPAJKBZNXLYWBJ-GIDUJCDVSA-N 444.684 5.617 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 218942572 OIPISLVMSAIZDD-UHFFFAOYSA-N 444.756 5.710 0 40 IKAB Cc1ccc(-c2noc(CNC(=O)c3ccc(OCCSc4ccccc4)cc3)n2)cc1 219266119 KENVZBPGBUOBIM-UHFFFAOYSA-N 445.544 5.146 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222711054 BGGMNTSUOIYTNB-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223030843 VQUUVWVESXDZIT-MSOLQXFVSA-N 433.017 5.154 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 223548190 AAGSAOCHYYVFPY-QFIPXVFZSA-N 444.641 5.140 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl 223959148 UUWKWNAFZLTSEP-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224003142 VLMYJWXYMXQCLY-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224176803 LFOLJNXVAMIKKC-DNQXCXABSA-N 426.545 5.058 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)C 224236245 KHRFBGIARHITME-NRFANRHFSA-N 431.576 6.149 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224310422 LSZZPSADRDLSKF-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C1CC1 224360784 CQMLOLCXICVOJD-JWQCQUIFSA-N 430.621 6.135 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccnc1 224424272 BFFUWTMXSSRAHK-DNQXCXABSA-N 443.551 5.200 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1C(C)C 224564334 HDXJJOAYLHFXFZ-UHFFFAOYSA-N 431.576 6.911 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(OC)cc1 224598663 CCGHWOSGIWPAQZ-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1SCc1ccc(Cl)cc1 224990830 JLCCECXGHFFUHG-UHFFFAOYSA-N 446.399 7.082 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225127796 HQGJUKOUELJVHM-VXKWHMMOSA-N 430.592 5.413 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 225518549 VOPPBFIPYAZIBI-CVDCTZTESA-N 444.616 5.089 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccccc1 250250601 XEUFMLYRJPTBAP-BEVDRBHNSA-N 434.433 5.257 0 40 IKAB Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)s1 257282980 OWDAVYYQDYOSIC-KESTWPANSA-N 449.624 5.439 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 260781621 UCMDXYYSHYYMSJ-IFZYUDKTSA-N 444.387 6.628 0 40 IKAB CCOc1ccc2nc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 408572512 IYRINIBNBXRZRU-JLHYYAGUSA-N 449.557 5.481 0 40 IKAB CCc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 408573804 KRLXJUBHYLEFAW-UHFFFAOYSA-N 425.981 5.955 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(Cl)cc1Cl 408584386 PDMLDUFMYVKIQA-UHFFFAOYSA-N 438.380 5.575 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc1 408642302 NYTWOOFRROYVEK-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)[C@H]2C1 408689786 ZHPPCZUSTBCCCK-SJORKVTESA-N 429.303 5.091 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408698947 QEZYVCCVQVCISY-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409010248 BFMFNDXTXZTTOS-HIQXPHMNSA-N 447.556 6.262 0 40 IKAB COc1cc(Br)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1OC 409140008 CSHWMWZPOFNZPK-CXUHLZMHSA-N 440.359 5.083 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409350288 XKDKBDDWBOWPJF-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)c1 409408365 CBCHJPUJQYOSKB-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 865631 YCRMEZZFHQVJSC-SJORKVTESA-N 448.876 6.012 0 40 IKAB CCn1c(CNc2ccc(Cl)cc2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C 906812 PMRJBYSTLBXLJL-INIZCTEOSA-N 444.004 5.300 0 40 IKAB CCCc1nc2ccc(NC(=O)c3cccs3)cc2c(=O)n1Cc1ccccc1Cl 930764 VPHMMEHKTZNOEP-UHFFFAOYSA-N 437.952 5.365 0 40 IKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 1011108 AZCBVJBTLIPDEW-NSIKDUERSA-N 442.693 5.184 0 40 IKAB Cc1cc(C)c(NC(=O)Nc2ccc(NC(=O)Nc3c(C)cc(C)cc3C)cc2)c(C)c1 1057015 DSCNVGTXRIMYDE-UHFFFAOYSA-N 430.552 6.825 0 40 IKAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 1254750 PNHHNMUDGWPZKC-NRFANRHFSA-N 447.947 5.950 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)C(=O)NC3CCCCC3)cc2c1 1327205 JBQNOZWTYYWDDY-UHFFFAOYSA-N 447.579 5.144 0 40 IKAB O=C(Nc1cnc2ccccc2c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 1516034 WLSKIEQMJJUKKF-UHFFFAOYSA-N 439.422 5.277 0 40 IKAB CCCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@@H](C(C)C)C4 1769907 YZKSRZMMHWTREL-CQSZACIVSA-N 436.672 5.831 0 40 IKAB Cn1c(=O)c(NC2CCCCC2)c2c3c(c(Br)ccc31)C(=O)c1ccccc1-2 1890075 CQWSGUJYXVCZBP-UHFFFAOYSA-N 437.337 5.257 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)ccc21 2094389 KDNZFSIBGYTCHE-UHFFFAOYSA-N 426.472 5.247 0 40 IKAB biogenic COc1ccc(C(=O)COc2ccc3c(=O)c(Oc4ccccc4OC)c(C)oc3c2)cc1 2101690 VFNHHYFGVAAPQM-UHFFFAOYSA-N 446.455 5.173 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)ccc2C(C)C)cc1 2204318 NPYPIZQTALBJAE-UHFFFAOYSA-N 442.559 5.973 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2254025 QPEYPTRPRMVWMZ-PKTZIBPZSA-N 448.860 5.422 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(O)c1)N(Cc1ccc(F)cc1)C3=O 2343170 FNGRHQZIPVPVIZ-JOCHJYFZSA-N 449.865 5.345 0 40 IKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2c(Cl)cccc2Cl)o1 2397400 PUJWOBINPPDXQF-UHFFFAOYSA-N 446.400 5.906 0 40 IKAB CCCCNC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 2746583 GAVLESIDWWQEPZ-UHFFFAOYSA-N 431.245 5.252 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3CCCO3)c3cc(Br)ccc3n2)cc1 2770052 GYQKMXIXNNUOHB-IVZQSRNASA-N 439.353 5.270 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 3097401 LYHMZNJKSHIWAB-UHFFFAOYSA-N 435.914 6.870 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1c(-c2c(F)cccc2Cl)noc1C 3327702 UPPFGGUTIJEBEW-UHFFFAOYSA-N 426.831 5.272 0 40 IKAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1-c1ccccc1 3378900 VPQCDIUOPWZCIZ-UHFFFAOYSA-N 441.914 6.256 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1 3410581 QKBBAMQVRPPGQL-UHFFFAOYSA-N 446.935 5.120 0 40 IKAB CCCOc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 4136742 CNHKAKOHPFWJID-UHFFFAOYSA-N 428.576 6.750 0 40 IKAB CSc1ccc([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)cc1 4767947 PXXLKOWSMDKORE-HSZRJFAPSA-N 433.577 5.923 0 40 IKAB CC1(C)[C@H](N2CCCC2)N(C(=O)c2ccccc2)SC12c1ccccc1-c1ccccc12 5179701 PGLYNCLKWXJSBP-AREMUKBSSA-N 440.612 6.163 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C(=O)OC)C1 6122446 MFHAQRDSARVITJ-DKGMDFAASA-N 425.594 5.999 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 7158831 WKLPMETWUOYALW-KRWDZBQOSA-N 428.960 5.137 0 40 IKAB CSc1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)n1 8612019 JHWQGNZAZVDGLT-UHFFFAOYSA-N 437.908 5.390 0 40 IKAB Cc1sc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)n(C(C)C)c(=O)c2c1C 8772661 ZOGPATHCHOZNIP-AWEZNQCLSA-N 426.567 5.559 0 40 IKAB c1ccc(-c2[nH]c(-c3c[nH]c4ccccc34)nc2-c2ccc3c(c2)sc2ccccc23)cc1 8781383 PZEKECFNOGPROL-UHFFFAOYSA-N 441.559 8.260 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(=O)ccc2c1)c1sc2cc(Cl)ccc2c1Cl 8831508 ZXENFMFXHGUTLP-UHFFFAOYSA-N 449.340 5.441 0 40 IKAB Cc1nnc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C1CCCCC1 8862335 QBPMWFVOYYIREJ-XMMPIXPASA-N 430.577 6.289 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc2ccc(C(=O)OC(C)C)cc2s1 8903637 NDVJEWMXAQLFRF-UHFFFAOYSA-N 439.320 5.429 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)n2C)c(C)n1Cc1ccccc1 9054028 LJRDDWFHGQBFNF-UHFFFAOYSA-N 434.540 5.063 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1 9064722 VVTNIRKCEUZIPX-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB COc1ccc(-c2c(C(C)C)nn3c4c(cnc23)C(=O)C[C@@H](c2ccco2)C4)cc1OC 9290233 YAEWMUUEUCKFPD-INIZCTEOSA-N 431.492 5.043 0 40 IKAB S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 9391133 YFIVPXLEHIKSMM-IBGZPJMESA-N 436.795 6.250 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccccc3Oc3ccccc3)n2)cc1OC 9446089 ZGPRUHZXWNPKOC-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1nnc2sc3ccccc3n12 9452982 DZHLVWGTMUFFFT-HNNXBMFYSA-N 436.606 5.664 0 40 IKAB Cc1ccc(C(=O)C[C@@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 9581411 UUNDREMLDCCBME-QHCPKHFHSA-N 440.948 5.255 0 40 IKAB O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCn2cccc2[C@@H]1c1ccccc1 9614296 WDYJBPNECTWQBO-VWLOTQADSA-N 428.513 5.181 0 40 IKAB Fc1cccc(Nc2nc(Nc3ccc(Cl)cc3)nc3c2cnn3-c2ccccc2)c1 9648419 ZEGKXJYEAJENKU-UHFFFAOYSA-N 430.874 6.095 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccncc2)cc1 9666253 VLXUKWWUSLVXDF-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9738016 WLBSCZHZLOXGAD-UHFFFAOYSA-N 428.945 5.301 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1 9789410 GBZLYXIPDRBPTM-QGZVFWFLSA-N 427.529 5.619 0 40 IKAB CN(Cc1ccccc1)C(=O)[C@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9851203 SQDKCGNJCMJJPT-CTNGQTDRSA-N 447.000 5.350 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1cc(Cl)ccc1Cl 9959778 VGIZRXKNTPSXDA-SNVBAGLBSA-N 425.316 5.047 0 40 IKAB Cc1cccn2cc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)nc12 10272028 HDVYXZHNBUZJPP-UHFFFAOYSA-N 431.495 6.186 0 40 IKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)NCCc1c[nH]c2ccccc12 11865903 LHUCEYGXKXFRKD-UHFFFAOYSA-N 430.360 5.500 0 40 IKAB CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc1OC 12601765 PYQINLQORPDQES-VYENPZKTSA-N 425.916 5.001 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3c(C)nn(-c4ccccc4)c3Cl)cc2)cs1 12620819 QLCOLQOPBBTYJM-UHFFFAOYSA-N 436.968 5.239 0 40 IKAB Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCCC(C)C)nnc23)CCCC4)c1 12650504 DPLIAIACMGKEEY-UHFFFAOYSA-N 438.622 5.420 0 40 IKAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 12660079 OOYBRNUSFALRDY-UHFFFAOYSA-N 444.314 5.297 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)CCc3nnc(-c4ccsc4)o3)cc2)cc1C 12741975 HMGUFOOYQOSPQA-UHFFFAOYSA-N 435.574 6.137 0 40 IKAB O=C(CSC(c1ccccc1)c1ccccc1)Nc1ccc(S(=O)(=O)C(F)F)cc1 12751876 DWGLERGSRHGUHQ-UHFFFAOYSA-N 447.528 5.144 0 40 IKAB Cc1nc2sc3c(c2c(-c2ccc(Cl)cc2)c1C(=O)N1CCOCC1)CCCC3 12775665 XOHCOVJSCZMFMR-UHFFFAOYSA-N 426.969 5.276 0 40 IKAB CC1(C)Oc2ccc(C(=O)NC3CCCC3)cc2N(Cc2c(Cl)cccc2Cl)C1=O 12875260 KWHCZBWOTCSAJD-UHFFFAOYSA-N 447.362 5.370 0 40 IKAB Clc1ccc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1Cl 13069752 JGHMXLKQOMMXDR-UHFFFAOYSA-N 436.364 5.111 0 40 IKAB S=c1oc(-c2ccc3c(c2)OCO3)nn1CN1CCC[C@@H]1c1nc2ccccc2s1 13070328 ZVXQURITMIGLDJ-OAHLLOKOSA-N 438.534 5.006 0 40 IKAB O=C([C@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1)N1CCOCC1 13127273 FGKJHNNMOWVSMY-OAQYLSRUSA-N 447.585 5.051 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=O)COC(=O)CCCSc2ccc(Cl)cc2)cc1 13129442 CFGMKGCHODWKPW-UHFFFAOYSA-N 447.984 5.010 0 40 IKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)c3ccc(C(C)(C)C)cc3)c2C)cc1 13129874 OSHWPOUDMPJTGV-FOCLMDBBSA-N 444.575 5.593 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccc(F)cc1 13502135 QXPNDBGICCLKKO-XMMPIXPASA-N 449.501 5.197 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(Cl)ccc4o3)c2)cc1OC 13568801 FOBPDXDNDLHIAY-UHFFFAOYSA-N 438.867 5.432 0 40 IKAB C[C@H](NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc12 14185779 UXLOQKRHQLCPRE-SFHVURJKSA-N 429.589 5.506 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@@H]1c1ccc(OC)c(OC)c1 14608113 ZJXIWTDAXPDAQE-XMMPIXPASA-N 447.560 5.434 0 40 IKAB CCOc1ccc(Oc2ccc(NC(=O)C[C@@H]3c4ccccc4C=CN3C(C)=O)cc2)cc1 15607012 QZKYKOQKQWUCLG-AREMUKBSSA-N 442.515 5.780 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccccc1Cl 15881927 LSKUVDCHNYQKBD-UHFFFAOYSA-N 444.347 5.096 0 40 IKAB CCOCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16687992 KDMWHIHIETYISZ-UHFFFAOYSA-N 432.775 5.751 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c1C 16805970 AVJRAMRGOUKXAF-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 17315059 NAZIUVMMNIGKJD-SFHVURJKSA-N 447.380 5.607 0 40 IKAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1 17962757 AIEAUCKZDOVYMT-KRWDZBQOSA-N 446.576 5.427 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)c1 20228108 LREYUKDGJIVSDQ-UHFFFAOYSA-N 447.516 5.298 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 20797484 QVGZUQDLPSEEJK-QFIPXVFZSA-N 430.895 5.323 0 40 IKAB CN1CCN([C@@H](c2ccc(Cl)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 21486910 WOKKXZWWFPXJLW-QHCPKHFHSA-N 429.048 5.977 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1Cl 22073784 HPBOYZNUITYROC-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB Cc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)cc1Cl 24203597 BDMSKWFKASAVER-UHFFFAOYSA-N 428.989 5.108 0 40 IKAB O=C(N1CC=C(c2c[nH]c3ccccc23)CC1)C1(Cc2nc3ccccc3s2)CCCC1 32904469 YBCGZYIUYFGLOK-UHFFFAOYSA-N 441.600 6.196 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 33655191 ASJWHSCJDBYUPR-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 35042751 VHXLQGZIDJZASY-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 35264335 CXXDKFFEJDFDNZ-UHFFFAOYSA-N 436.939 5.907 0 40 IKAB CCC[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)c(C)nn23)C1 35325705 LFUFMOQMCCVZIM-KRWDZBQOSA-N 433.958 7.069 0 40 IKAB Cc1ccc(SCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 38836694 RUIPSMXTEUYVJS-UHFFFAOYSA-N 437.436 5.422 0 40 IKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccccc1Cl)C2 55393832 HQZQEEUCHDAONL-UHFFFAOYSA-N 431.919 6.028 0 40 IKAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccccc3Cl)c12 57293414 CUOCZMSPJDQPCE-MRXNPFEDSA-N 427.982 5.704 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(Cl)cc1 57488078 VEWQWTGUIHEDEF-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1C 64949911 BIIRYQYYEQJCJL-UHFFFAOYSA-N 428.879 5.373 0 40 IKAB C[C@@H](Sc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1ccc(NS(C)(=O)=O)cc1 69303637 IJFYZAMCEYQWHH-SNVBAGLBSA-N 437.892 5.094 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 72361020 KTHHXZNJMFDQIN-QGZVFWFLSA-N 445.588 5.161 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72377081 GUMFJDFGQMQBQJ-JOCHJYFZSA-N 445.954 5.157 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100709968 PLFDGEWUSRERIU-OOIQZMFUSA-N 447.534 5.509 0 40 IKAB COc1ccc(CN2C(=O)/C(=C/Nc3cc(Cl)ccc3C)c3ccccc3C2=O)cc1 103004320 NSDLPRZVJYUDRM-HYARGMPZSA-N 432.907 5.293 0 40 IKAB O=C(Nc1ccccc1)P(C(=O)Nc1ccccc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 103437152 LWUSLFBPBKMCBQ-RDNZODCXSA-N 440.911 7.263 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)cc1Cl 215739121 BIWVMOYHHONGEI-SFQUDFHCSA-N 442.302 5.058 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 222547714 KEAYEGAVKQIICY-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 223839111 AKRONMLOTYLZSF-IBGZPJMESA-N 436.983 5.369 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 223978074 XUKLBAVCILFITR-NRFANRHFSA-N 428.941 5.022 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224336462 LLIZYUPMIPPAML-SFHVURJKSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(C)cc1 224469249 PKNHCOUMNYASFZ-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc(Cl)cc1 224471438 OETVNZCZPHVPCY-PKTZIBPZSA-N 437.012 6.219 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cccc(Cl)c1 224486222 SLTVDKXENCSGGB-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1CSc1ccc(Cl)cc1 224671892 CQMAQJPQQUUUMD-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225088371 ZPMBZECMQFSXFU-VXKWHMMOSA-N 430.592 5.413 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)ccc21 225166087 UBPVNVFHUBNMJA-UHFFFAOYSA-N 444.000 5.148 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](C)c3ccc(F)cc3)n2)cc1 225201611 ISUDRFYRDADNEN-OAHLLOKOSA-N 425.533 5.114 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 225650185 VSQGPYBGBZRCMN-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3C[C@@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663272 VOAURTKTVRYFMO-CQAGSAPUSA-N 430.633 5.357 0 40 IKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)cc2C)o1 227147806 DAEXVMIKJBJVGM-UHFFFAOYSA-N 435.705 5.514 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 245241183 YQABJZDZFGKJGZ-XHBDVGQISA-N 425.956 6.483 0 40 IKAB Cc1oc2ccccc2c1-c1csc(=NS(=O)(=O)c2ccccc2)n1-c1ccccc1 245241815 PZMNMBONEFBLIY-UHFFFAOYSA-N 446.553 5.550 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)cc1 247851498 RUTRJJLYGLJIKF-QGCVXUCCSA-N 430.317 5.671 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257254949 KFKOIBMQQBCUQC-SFHVURJKSA-N 440.490 5.107 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 408544555 HPRYQNYNWZCHEE-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 408561211 ZDGYWERAGXPNSF-UHFFFAOYSA-N 444.604 5.698 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 408568950 VKBLZYPCALOQNH-UHFFFAOYSA-N 425.381 5.394 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408647803 XMRBPSWOWFTLDL-LJQANCHMSA-N 430.504 5.178 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409221412 PXPZIRFXNQZIKU-OOIIIRTPSA-N 449.732 5.377 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 409408370 CDPDDYUICIYQGE-JOCHJYFZSA-N 426.925 5.268 0 40 IKAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4ccccc4Cl)C[C@H]23)c1 1848354065 JTWMPNMMKYJRMT-STROYTFGSA-N 447.022 5.839 0 40 IKAB Cc1ccc2sc(-c3ccc(NC(=O)CSc4nc5ccccc5o4)cc3)nc2c1 681753 KRZBELCBSFFOKL-UHFFFAOYSA-N 431.542 6.144 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(OC)cc3)c2c1 878009 CCTBWUSQQWSKNJ-UHFFFAOYSA-N 447.535 5.738 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)c1 2050770 XGPIOFCCZDOFDO-UHFFFAOYSA-N 428.532 6.833 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)c1 2079370 SZMBCHTXPMTSOK-UHFFFAOYSA-N 429.947 7.515 0 40 IKAB COc1cccc(-c2nc(C(=O)NCCc3ccccc3F)cc3c2[nH]c2ccccc23)c1 2160393 HWKBGIYTPSFWIH-UHFFFAOYSA-N 439.490 5.503 0 40 IKAB biogenic CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccc(C(C)C)cc1 2433134 QMUPWDVKTFESFC-HSZRJFAPSA-N 437.511 5.416 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2Br)nnc1-c1cccc(C)c1 2452961 OVBNDJXOJQSGJN-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3[C@H](C(=O)NCCC(C)C)[C@@H]2c2ccsc2)cc1 2512899 VVOIPIOEQBNGNG-ZEQRLZLVSA-N 448.588 5.404 0 40 IKAB COc1ccc2cc(-c3cc(C(=O)OCCOc4ccccc4)c4ccccc4n3)ccc2c1 2616294 URYRMKVRTPVEPM-UHFFFAOYSA-N 449.506 6.299 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)Cc3coc4ccc5ccccc5c34)n2)c(C)c1 2634647 OFMUKOVVDOKSSF-UHFFFAOYSA-N 426.541 6.816 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3)C2=O)cc1 3011878 FFHPLVSSUUPTCY-WOJGMQOQSA-N 431.355 5.678 0 40 IKAB Cc1ccc(NC(=O)c2cccc(OC(=S)Nc3ccc4ccccc4c3)c2)cc1C 3079496 RAAKYXMAHCPMRO-UHFFFAOYSA-N 426.541 6.485 0 40 IKAB CCCCN(C(=O)c1ccccc1Oc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 3333517 DRIROQZJKOQLSH-UHFFFAOYSA-N 446.547 7.188 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccccc3OCC(=O)Nc3ccccc3F)cc2s1 3344296 UKKSIMDSHQTLMP-UHFFFAOYSA-N 435.480 5.014 0 40 IKAB O=C(/C=C/c1c(Cl)nc2ccccn12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3348542 YMJSUJXDBBOTHV-MDZDMXLPSA-N 448.876 5.649 0 40 IKAB CCOC(=O)c1sc(-c2ccc(F)cc2)cc1NC(=O)c1cc2c(s1)CCCC2 3406984 VEMQNAVCUQYLSC-UHFFFAOYSA-N 429.538 5.924 0 40 IKAB CCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 3771731 ZHOWVWYPCUTICM-HHHXNRCGSA-N 432.633 6.269 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 4537090 XUGISPSHIFXEHZ-NMFQTIMSSA-N 428.701 7.960 0 40 IKAB COc1cc(Cl)cc(Cl)c1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 8444299 NMMVKCAXDYRXFC-CVDCTZTESA-N 425.315 6.244 0 40 IKAB COc1ccc(-c2cc3cc(OC)c(OC)cc3c(Cc3cccc4ccccc34)n2)cc1C 8740511 JOKPVDWBAZMIFW-UHFFFAOYSA-N 449.550 6.980 0 40 IKAB biogenic CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 8762492 KPEXUEVAOKNNQI-XAYXJRQQSA-N 445.515 6.071 0 40 IKAB biogenic COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@@H]21 8790966 WKRYGEUBDXPPFD-MHECFPHRSA-N 444.918 5.529 0 40 IKAB biogenic CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3)o2)cc1 8812513 NKWCRIBNIRURJZ-UHFFFAOYSA-N 446.370 5.527 0 40 IKAB CC(=O)OC(C)(C)C(=O)CC/C(C)=C/CC/C(C)=C/COc1ccc2ccc(=O)oc2c1 8878577 FVTRTSUTOCAZPJ-GZDKYGJJSA-N 440.536 5.536 0 40 IKAB biogenic C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923575 UXAQLWXPNRLOML-IZHWHUGBSA-N 440.326 5.247 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 9063490 WWYVOBKTCDULLT-UHFFFAOYSA-N 448.607 6.277 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(OC)c1 9288206 OQFFUJQYXRWHAW-XMMPIXPASA-N 425.488 5.034 0 40 IKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 9296329 YWACCDQEHSUETJ-VCHYOVAHSA-N 426.299 6.074 0 40 IKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)c2cc(Br)ccc2Cl)c1 9381080 ZWZFXLUALYFBEN-UHFFFAOYSA-N 437.790 5.465 0 40 IKAB Cc1cccc(Cn2cc(SCC(=O)Nc3cccc4ccccc34)c3ccccc32)c1 9394415 FJGMGJIWLGMGOD-UHFFFAOYSA-N 436.580 6.882 0 40 IKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9460379 BOGSZJXMGBVQGY-AWNIVKPZSA-N 448.950 5.168 0 40 IKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1 9591662 ULWVVYJRDHQZCR-KRWDZBQOSA-N 431.463 5.826 0 40 IKAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Br)cc3)cs2)cc1C 9805897 PDFNOCQWBXEQIG-UHFFFAOYSA-N 445.338 5.306 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1 10730275 RUDBGMAXIUFSMF-MRXNPFEDSA-N 449.967 5.410 0 40 IKAB Cc1cccc(C)c1OCCCCn1c([C@H](C)NC(=O)c2ccco2)nc2ccccc21 11667338 VWLOXHIOYLZNFG-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB COc1cc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)cc(OC)c1OC 12185575 BIFYDAYSBLKHSA-SFHVURJKSA-N 428.554 5.546 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 12784513 HCMVVEAEWLVWPC-MSOLQXFVSA-N 445.588 5.490 0 40 IKAB Brc1ccc([C@@H]2OC(c3cccs3)=Nc3cc4c(cc32)OCCO4)cc1 12854847 NDJBKEQTMHAMPM-IBGZPJMESA-N 428.307 5.480 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc(Cl)cc(Cl)c2N)cs1 12862841 MHVSTENNJPKFFT-UHFFFAOYSA-N 436.320 5.074 0 40 IKAB COc1ccc(CCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)cc1 13010158 DQYGAXWFRKIANJ-UHFFFAOYSA-N 439.943 5.303 0 40 IKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c(C)c1 13563518 NULQLHINWUJRAD-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB O=C(Oc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccccc2)C1)c1ccccc1 13659511 NUWDULQYONLGGF-AREMUKBSSA-N 446.506 5.897 0 40 IKAB Brc1ccc(-c2nc(-c3cccc4ccccc34)[nH]c2-c2ccccc2)cc1 13764821 SFDMXBIGLJKWGT-UHFFFAOYSA-N 425.329 7.326 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)ccc1OCc1ccccc1F 15084831 WIKHPQUSZRKHJY-SFHVURJKSA-N 437.536 5.828 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(F)cc4)cc3c2C)c1 15729509 HQIYHQVGVVDELW-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic CCc1ccc(OCc2nnc(SCc3cc(=O)c4ccc(C)c(C)c4[nH]3)n2CC)cc1 15865320 LLVWYHMSEKFVHE-UHFFFAOYSA-N 448.592 5.190 0 40 IKAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 16216643 NVUYXGOTHHOVMM-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Cl)cc3)cs1)-c1ccccc1OC2 16957341 DCLBOMWSPHIKSL-UHFFFAOYSA-N 433.842 6.227 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(F)c2)cc1 19644251 SQRWRQGSVRTTFD-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 19648266 GGZASTUHOGTQNW-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690302 AVNKIJVNPSSRIJ-OAQYLSRUSA-N 442.538 5.027 0 40 IKAB Cc1cc(-c2ccccc2)cc(C2CCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)CC2)n1 19691424 NSPWTQWASCZISQ-UHFFFAOYSA-N 442.538 5.411 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20042261 AOTKJOZNUUHWMC-BCHFMIIMSA-N 430.573 5.260 0 40 IKAB CCOc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20176840 QSAWWVRCHDOPCF-NRFANRHFSA-N 448.910 5.700 0 40 IKAB FC(F)(F)c1cnc(N2CCC(c3cc(-c4ccc(Cl)cc4)n[nH]3)CC2)c(Cl)c1 20405657 MOCGNQBSELPVAZ-UHFFFAOYSA-N 441.284 6.181 0 40 IKAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3cc(C)c(OC(F)F)c(C)c3)nc2c1 21334271 YPWARSMCKYVSLD-NVNXTCNLSA-N 434.826 5.077 0 40 IKAB COc1cccc(CNC(=O)c2[nH]c3ccc(C)cc3c2NC(=O)c2ccc(Cl)cc2)c1 21658287 SCMBKOPCEFKNDP-UHFFFAOYSA-N 447.922 5.321 0 40 IKAB COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 27526469 PVMMUIIUYXPMFR-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)no1 32647510 RYHMMKMRNMCYPP-UHFFFAOYSA-N 439.393 5.683 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)cc(Br)c1OCc1ccc(C)cc1 33666815 UMVHDZMIBSRINY-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 35362025 ZUYAFLJPXYBOTN-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB O=C1CCN(C(=O)c2cccc(COc3ccccc3Br)c2)[C@@H]2CCCC[C@H]12 35679130 MSEUBFSLANQSIS-AZUAARDMSA-N 442.353 5.002 0 40 IKAB CC(C)(C)OC(=O)NC1(c2ccc3cc(Oc4ccccc4)ccc3c2)COC(C)(C)OC1 36377896 JHBVRKFHEWRWDI-UHFFFAOYSA-N 449.547 6.135 0 40 IKAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@H]3c3ccccc3Cl)cc2c1C 36620997 CTMIQPBHEHKWAK-IBGZPJMESA-N 447.940 5.097 0 40 IKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3C)CC2)c1 39750647 ZETYMMGDVFCNJJ-UHFFFAOYSA-N 444.644 6.446 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3cc(NC(C)=O)ccc3OC)c3ccccc3n2)c1 40284467 XURWRGVTKIFUMJ-UHFFFAOYSA-N 441.487 5.130 0 40 IKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397467 QOGRGOCYMYDUNM-XFQAVAEZSA-N 434.971 5.924 0 40 IKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2ccc(Cl)c(Cl)c2)n1 40556428 UFTIGSOKIZLIFC-UHFFFAOYSA-N 441.409 6.610 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 44936318 KKLHAAKBQFXNPA-JOCHJYFZSA-N 435.395 5.482 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC4 46159120 MCSMMGJCXCBSKD-QRJMCIBCSA-N 426.729 8.313 0 40 IKAB in-vitro CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2Cl)S1 96117814 PQAJZABVZXRVIX-WBMJQRKESA-N 426.369 5.499 0 40 IKAB COc1ccc(/C=C2/N=C(S[C@H](C)c3nc(C)no3)N(c3cc(C)cc(C)c3)C2=O)cc1 96988917 WJFKEFNJKCLHHF-WMRWHDLOSA-N 448.548 5.242 0 40 IKAB Cc1ccc(-c2csc(S[C@@H]3C(=O)N(c4ccccc4)N=C3c3ccccc3)n2)cc1 103647672 NANPFPADTQSKAQ-QHCPKHFHSA-N 441.581 6.030 0 40 IKAB Clc1cc(Cl)c2c(c1)CN(C(c1ccccc1)(c1ccccc1)c1ccccc1)CC2 168269784 GNJLKXCOYZKBEG-UHFFFAOYSA-N 444.405 7.344 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 222805217 YOJIDVNCYXJUFR-OALUTQOASA-N 446.345 5.236 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223276157 XTDLCFHVWOUURX-QFIPXVFZSA-N 449.422 5.603 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223403178 BLJISOYEGSDNLO-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 223769398 LQSVEVZKZZOACA-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224156726 RORXTWOTBLAMEP-UHFFFAOYSA-N 426.513 5.027 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1C(C)C 224230339 YTKNXXIIGKNCGZ-UHFFFAOYSA-N 427.903 6.442 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224289316 RNCBUXIEBSMYOQ-OALUTQOASA-N 444.423 5.700 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441971 BBZKIIHVGBYGTH-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)[nH]1 224689042 BZUBPUASDUAURV-DQEYMECFSA-N 440.572 5.996 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 224971501 QRAYNNIMROBSJQ-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225554211 MPVNHMQTIVSFGG-ZJSXRUAMSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225581196 QCRYSJUBKQDFRO-XXBNENTESA-N 429.004 5.303 0 40 IKAB O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1ccc(-c2ccsc2)cc1 225619757 QKYCMLFKNDRDES-UHFFFAOYSA-N 444.556 5.444 0 40 IKAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983918 JLFCYQHUDQDGBK-FQEVSTJZSA-N 437.657 5.352 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2)o1 227145732 POHOQACRTMHASS-VQHVLOKHSA-N 431.717 5.905 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 257297723 RIPBELMLDKORKO-RUZDIDTESA-N 445.538 5.543 0 40 IKAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257328795 XHDSWLPHIWDSBW-NRFANRHFSA-N 448.548 5.167 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccccc1 408556327 HRYMSHNNZKEVPO-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 408560007 BOBODOWFUXTDNX-NMWGTECJSA-N 425.768 6.246 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(Br)c1OC 408624251 VCROEJICEKZZKE-UHFFFAOYSA-N 442.309 5.819 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C(=O)[C@H]2C1 408686338 SFGYOCLOWICVSP-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)c1 408696342 AAYQCODCKTWLIF-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c1C 408698744 PBETWGFHHCWVTO-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 408705358 CYFPMJZTAHMJMX-UHFFFAOYSA-N 432.800 5.855 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 409031588 HNNZFWRZFUFHJX-PDGQHHTCSA-N 429.328 5.858 0 40 IKAB O=C(Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1)Nc1ccccc1Cl 409130908 XDNZJCDGZXYVMD-UHFFFAOYSA-N 448.891 5.394 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc2ccccc12 409260877 XVWDRQGBQCJDNO-UHFFFAOYSA-N 425.509 6.734 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C(C)C)cc4)C3=O)c[nH]c12 409341949 CLWGQKYYEQWDGB-MTJSOVHGSA-N 447.560 5.529 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)n[nH]2)cc1 2037724446 UYGORJYFEVARJO-QHCPKHFHSA-N 430.483 5.080 0 40 IKAB COc1ccc2nc(Cl)c([C@@H]3Nc4ccccc4C(=O)N3c3ccc(C)cc3)cc2c1 643544 YZCMZHXADGSGRR-XMMPIXPASA-N 429.907 5.976 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(C)cc4Br)c(N)c3cc2C1 661728 TWSMYWXALBZPGU-LBPRGKRZSA-N 444.398 5.717 0 40 IKAB CC(=O)Oc1cccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(C)cc3)n2)c1 1415755 IMICMZLZISJBPL-UHFFFAOYSA-N 443.450 5.915 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@H](c3ccc(N(C)C)cc3)C[C@@]21C 1484338 VKHAHZOOUSRJNA-SVTWOBQPSA-N 429.604 5.407 0 40 IKAB biogenic,in-vitro Cc1cc(O)c(C(c2c(O)cc(C)c(Cl)c2C)C(Cl)(Cl)Cl)c(C)c1Cl 1672266 GMJUEKPDAGNYPW-UHFFFAOYSA-N 442.597 7.140 0 40 IKAB Clc1ccc(-c2nnc(-c3ccc(Br)cc3)c(N3CCSCC3)n2)cc1 2050026 XEEYWBDMCRSREA-UHFFFAOYSA-N 447.789 5.175 0 40 IKAB CC(C)(C)c1ccc(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 2065555 UHEDZHCNHHUVJF-UHFFFAOYSA-N 430.573 5.854 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(OC)c2)cc1 2138492 ODKVGGUMVDQZJO-UHFFFAOYSA-N 444.487 5.735 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(O[C@H](C(=O)OCC)c3ccccc3)cc12 2365212 CZWAPJGCOPFESX-VWLOTQADSA-N 444.483 5.960 0 40 IKAB biogenic c1ccc2c(c1)CC1(CCCC1)c1c-2ncn2nc(COc3cccc4ccccc34)nc12 2425566 WYXHLQAJUGUCNC-UHFFFAOYSA-N 432.527 5.891 0 40 IKAB biogenic CC1(C)Cc2nc3sc4c(NCC5(c6ccccc6)CCCC5)ncnc4c3cc2CO1 2444332 UKAPPFWNNZDUMN-UHFFFAOYSA-N 444.604 6.015 0 40 IKAB O=C(Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1 2587123 XLROZLMMWYOBSZ-UHFFFAOYSA-N 431.369 7.007 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc(Cl)s1 2653680 BXBYPECNMKCLNP-UHFFFAOYSA-N 427.359 6.295 0 40 IKAB Cc1ccc(CN(C(=O)/C=C/c2cccs2)C2(C(=O)Nc3ccccc3)CCCC2)cc1 3339070 SGJCMEMUBMZYDB-FOCLMDBBSA-N 444.600 6.050 0 40 IKAB COc1ccc(C)cc1N(C(=O)[C@@H]1COc2ccccc2O1)c1nc2ccccc2s1 3547599 HMUSSOYUGYSGCC-NRFANRHFSA-N 432.501 5.118 0 40 IKAB CC1=C2C[C@@H]3[C@@H](CN[C@@H]4CCCc5c4[nH]c4ccc(C)cc54)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4073313 MMPRIJBNPCMKRF-VRAYHDTKSA-N 432.608 5.902 0 40 IKAB biogenic O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 5813198 QWYCALYVYWPWLT-PPBPHVFVSA-N 434.535 5.006 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCc2ccccc2)cc1 8606551 FMQMWWPLMSZSDC-HHHXNRCGSA-N 437.543 5.694 0 40 IKAB COc1ccc(OCCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 8754650 JYHFOWCZPYVLDE-LJQANCHMSA-N 435.568 5.019 0 40 IKAB Cc1cc(C)cc(OCCSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 8830886 UAZCIHOWKWZEGV-UHFFFAOYSA-N 440.615 6.398 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 8874773 YNWFISFRIUVELK-MDWZMJQESA-N 445.569 5.498 0 40 IKAB COc1cc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)Cc2ccco2)cc(OC)c1OC 8915751 OYXFLUGSCQMTKE-UHFFFAOYSA-N 437.536 5.446 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063287 WPMCJZSBETYJMP-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccc(-c3nc4ccccc4s3)o2)CC1 9766076 QNKLBPOOZRXFAM-UHFFFAOYSA-N 431.517 5.047 0 40 IKAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1 10059202 FOXJRIRBACJFRZ-HHHXNRCGSA-N 447.962 5.342 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccccc4C)cc3)nc2c1 10119698 DLWWRSCASAAKRI-UHFFFAOYSA-N 435.321 6.380 0 40 IKAB C[C@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1=NS(=O)(=O)c2ccccc2N1 10273605 RCOPXPDTZIMCKL-KRWDZBQOSA-N 449.532 5.047 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3c(OC)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12194951 UCNVAOVGCZIFHQ-XUZZJYLKSA-N 448.906 5.378 0 40 IKAB Cc1cc(-c2cnc(SCC(=O)c3ccc(F)cc3F)nc2-c2cccs2)on1 12233150 LSWRXDWZXUVMJY-UHFFFAOYSA-N 429.473 5.422 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 12311198 TWPGDJCMZLPYCW-HYBUGGRVSA-N 447.406 5.738 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)n2)cc1 12654168 JWRRQAGUNXNFJT-UHFFFAOYSA-N 440.931 5.765 0 40 IKAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)Nc3ccccc3-c3cccs3)cc2)C1 12791371 KKTXWHSTEFWTDB-QGZVFWFLSA-N 440.590 5.088 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)nc2c1c(C)nn2-c1ccccc1C(F)(F)F 13100391 VVMVVHHEUBYZSD-UHFFFAOYSA-N 425.410 5.591 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 13301603 OBLRYJOBGAYEPF-BAJYBRIYSA-N 443.497 6.793 0 40 IKAB O=C(Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1)Nc1cccc2ccccc12 16047490 WJLFZPSHOPBIKT-UHFFFAOYSA-N 436.924 5.775 0 40 IKAB C[C@H](NCc1ccccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 16576219 ZLMWYHSCJYIZRP-BALBBAFXSA-N 444.446 7.267 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3Cl)c(-c3ccc(OC)cc3)c2Cl)cc1 17094294 LFQBWKRGIZZMQC-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC2CCCCC2)C1 19449221 CABLXWZZOGLMGR-NDEPHWFRSA-N 447.623 5.005 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(OC)cc3)nnc2c1-c1cccc2ccccc12 20672797 GGJZGTAJDBQLFQ-UHFFFAOYSA-N 437.503 5.076 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)N(C)c4ccccc4)sc3c2)c1 20894849 MWYNYQGCZNFJGF-UHFFFAOYSA-N 447.585 5.612 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(O)cc(-c4cccc(OC)c4)n3)c(C)o2)cc1 23126196 WWEHHOCSISHGMY-UHFFFAOYSA-N 449.532 5.512 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc4ccc(C(F)(F)F)cn34)c2cc1C(C)C 24142186 XFNJZFWVBJJUJU-UHFFFAOYSA-N 433.455 5.579 0 40 IKAB CCN(C(=O)COc1ccccc1OC)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993058 NOKBAHJOVQNKMK-MHZLTWQESA-N 444.531 5.202 0 40 IKAB OC1=NC(=S)S/C1=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 28703284 YVKUMFSZMLLNJL-HYARGMPZSA-N 433.554 6.174 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)cc1F 32768113 UUBJYKJZJGHWLR-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(-c3ccccc3)cc2)cc1 35225793 IFRMSTLSNACFMZ-XCZPVHLTSA-N 436.942 7.249 0 40 IKAB O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)c1cccc(Cl)c1 35264010 IHVGMKYOSDOJRV-UHFFFAOYSA-N 440.930 6.363 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 35544349 OGWPBRLXWMQHMA-FRFSOERESA-N 433.397 5.633 0 40 IKAB O=C(COc1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671752 UMQHSAYETDSQCJ-UHFFFAOYSA-N 429.501 5.080 0 40 IKAB O=C(c1cccs1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38534022 MCPUQCACHBZAIK-UHFFFAOYSA-N 431.561 5.229 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 38835030 VBMSVOSOJLQGGU-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 44950207 OQICVFKHGNCGEO-SSOJOUAXSA-N 434.536 5.091 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@H](Cc3ccccc3)c3nc4ccccc4[nH]3)o2)cc1 49590319 DEQXBSZPIMFRNR-XMMPIXPASA-N 449.510 5.739 0 40 IKAB CCOc1ccc(Oc2cc(CNC(=O)Cc3c(C)nc4ccccc4c3C)ccn2)cc1 59783408 YYPXLYUBPGCEBX-UHFFFAOYSA-N 441.531 5.297 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1cc(Br)cnc1Cl 60358562 KQRKVHUQINAXTD-UHFFFAOYSA-N 435.155 5.588 0 40 IKAB COc1cccc(Cn2c(SCCc3ccccc3)nc3c(oc4ccccc43)c2=O)c1 67259819 MWIFRPWDLWQRAH-UHFFFAOYSA-N 442.540 5.534 0 40 IKAB O=C(Cc1ccccc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358642 NRDDWJIJROVXOC-LJQANCHMSA-N 425.454 5.111 0 40 IKAB O=C(Nc1cccc(N2CCCCC2)c1)c1[nH]c2ccc(Br)cc2c1Cl 84374319 IBLXTZOSRUCUJP-UHFFFAOYSA-N 432.749 5.826 0 40 IKAB Cc1ccccc1Cc1nnc(CN(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)o1 95455992 XKOBCKINDDEJTQ-HXUWFJFHSA-N 437.547 5.501 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)[C@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12 103117201 FOUUOIDVZJCPLU-FIRIVFDPSA-N 444.530 6.235 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1 106680778 CIZMKAJTDJIGLM-OYKKKHCWSA-N 442.515 6.065 0 40 IKAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1ccc(Cl)c(Cl)c1 110239864 HVEIXDMNVHWJKA-UHFFFAOYSA-N 429.328 5.879 0 40 IKAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)cc1Cl 138852195 IWLOIHNYUKQWPD-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccccc1Br 214967543 RUKAWNIWVXPTOG-RIYZIHGNSA-N 443.149 5.992 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215054491 LAKNFWSEZVJGNZ-BXUJETTOSA-N 446.366 5.863 0 40 IKAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(C)cc1 216414504 JOXKJAVBMFQIAO-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB COC(=O)c1cc(NC(=O)COc2ccc3ccccc3c2Br)ccc1Cl 218903340 GFFVQTXNATYBPQ-UHFFFAOYSA-N 448.700 5.060 0 40 IKAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)c(C)c1 222538936 VLUNSTJQVYXHSA-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222944032 YWBXVVLPSGQJBG-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 222988313 HGQNVCKTERXAEQ-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223809199 FYYFCNKOMGPKKG-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224236890 YVVXPIWBNJPPGD-GOSISDBHSA-N 437.967 6.542 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224325136 IZYWFUVYEBKRCD-BJKOFHAPSA-N 425.561 5.007 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)cc1 224358352 PDQVCDOPMUBEQL-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224364250 HDROWNXCFVZXEZ-UHFFFAOYSA-N 440.590 5.266 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(OC)cc1 224604600 BASXCBQULFVEEB-FQEVSTJZSA-N 433.548 5.424 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1C 224863872 JBDZNHXGPXMACZ-UHFFFAOYSA-N 425.594 5.581 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225170225 ZFGKQOANEYWCIO-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225306736 IMVYDMKMMNMHKW-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 225501166 GZFXTJDXLKYHFL-NRFANRHFSA-N 425.598 5.204 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225640815 OHYZBXOCPMGJQR-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225663270 PAAXNVCAUBKTLE-HTAPYJJXSA-N 432.967 5.134 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 253374722 NIFSJXVZMQZQRL-KEKSMWEKSA-N 437.539 5.718 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)CCc3nc4ccccc4[nH]3)C2)n1 257220297 DKHOJWRUHQVZBW-FQEVSTJZSA-N 442.538 5.411 0 40 IKAB Cc1ccc(Cc2ccc([C@H]3CCCN3C(=O)CCCc3ccc(F)c(C)c3)nc2)cc1 257253581 JZLXLUUODXVSJI-HHHXNRCGSA-N 430.567 6.115 0 40 IKAB C[C@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257294148 QSTPAEPJDYBZOI-ZVDOUQERSA-N 441.877 5.209 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 257300501 RUNXSXRJMMZABT-PQNGQFLHSA-N 442.607 5.856 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408572657 HOCURLABOOVASF-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)cc1Cl 408574205 KZXIUWPVGBDWHR-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)cc1Cl 408576118 PTKALEJMTYKKMC-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)cc1Cl 408603028 AIEKXIZQHWDRLF-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(Cl)cc1 408692224 HQMSBGPHKGZBQO-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cc(C)ccc2C)cc1 408699628 VHMAXKMCLGIYPB-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3C)n2)c1 408699916 XDLAOGDREFBGQD-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408724426 KDZZDXSOTGSKNA-UHFFFAOYSA-N 449.941 7.112 0 40 IKAB CCn1ncc2c(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)cc(-c3ccccc3)nc21 606873642 CKZMMDDGBPFBCP-QGZVFWFLSA-N 437.503 5.264 0 40 IKAB Fc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 877808 NNHAZVFTWXJDIH-LJQANCHMSA-N 432.952 5.154 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)NC3CCCCC3)cc12 880557 HYUASXAUHYCVDM-UHFFFAOYSA-N 435.543 5.329 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)c2c1C 888555 MDDAGCTWSBQZJZ-UHFFFAOYSA-N 432.785 5.999 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1-c1ccc(C)cc1 900778 RWLFFLFVFPZHHB-SFHVURJKSA-N 444.560 5.371 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1C 931848 NMUWJPMHFIASRP-IBGZPJMESA-N 445.588 5.376 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 1531236 NJICGAVMYWKCMW-NAECFFRCSA-N 442.728 7.738 0 40 IKAB biogenic,in-vitro CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)c(=O)oc2c1 2274627 XOTROSRMPQWKCH-UHFFFAOYSA-N 430.291 5.663 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)cc1C 2317646 OVYBBAOOROZIPM-UHFFFAOYSA-N 441.922 5.678 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2)cc1 2341362 OXUOMBJMCCCINB-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 2419993 JEIRFQQHGGSRAN-OAQYLSRUSA-N 434.879 5.616 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 2429037 OLEKESOZKLHZEZ-UHFFFAOYSA-N 432.903 6.630 0 40 IKAB biogenic Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2448575 UMCCRJBWHJCBAP-UHFFFAOYSA-N 448.035 7.486 0 40 IKAB CCCCOc1ccc(C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 2617028 HIVMXZJDTSXZHO-AREMUKBSSA-N 427.500 6.128 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cc(Cl)ccc1Cl 2618421 FZFKGSWAVHRMRC-SECBINFHSA-N 443.356 5.847 0 40 IKAB Cc1cc(C(=O)COC(=O)c2sc3cc(F)ccc3c2Cl)c(C)n1C[C@@H]1CCCO1 2633879 WDVSYJVSENPBBU-HNNXBMFYSA-N 449.931 5.331 0 40 IKAB Cc1cc(-c2csc(N[C@@H](C)c3ccccc3)n2)c(C)n1CCc1ccc(Cl)cc1 2647096 FXJFVJUYIGPLNI-SFHVURJKSA-N 436.024 7.298 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)NCc1ccc(Cl)cc1Cl 3261942 WQEMLXTUJNVWLG-UHFFFAOYSA-N 429.372 6.303 0 40 IKAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc(Cl)c(Cl)cc1Cl 3304287 SJDTZQIFNKZSOR-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3337792 BAHBDEZPUNHUBE-CQSZACIVSA-N 431.945 5.546 0 40 IKAB COc1ccc(-c2nc(NC(=O)C3CCN(c4nc5ccccc5o4)CC3)sc2C)cc1 3428390 ZAALKEVYFJJSSL-UHFFFAOYSA-N 448.548 5.123 0 40 IKAB Cc1ccc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 6410148 PBCGQUXFIASYDF-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB C[C@H](NC(=O)CN1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(Br)cc1 8749844 PHMCJPPPGLNKGP-KBXCAEBGSA-N 444.398 5.073 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)C1 8783315 ATZFDDWHFVQWFV-ATJNGWRESA-N 441.571 5.606 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](NCc1ccc(F)cc1)c1ccccc1 8825694 NKWBWVSYMOZQIA-FQEVSTJZSA-N 436.836 5.968 0 40 IKAB Cc1ccc(Sc2ncccc2C(=O)Nc2ccnn2[C@H](C)c2ccncc2)c(C)c1 8826414 RPLDGDDTXYPPND-GOSISDBHSA-N 429.549 5.303 0 40 IKAB CC(C)CCN1C(=O)C(C)(C)COc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 8959247 XXXJVHWUGDBURV-UHFFFAOYSA-N 444.959 5.155 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccccc2Cl)cc1 9288562 VZZAKFIKPGWBLP-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2Cl)cc1 9288564 VZZAKFIKPGWBLP-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@@H](C)c2ccccc2)cc1 9355427 BIOUJXNEKJAQPZ-JRPXNJEYSA-N 442.562 7.450 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Nc3ccccc3)s2)c(C)n1-c1nccs1 9376206 COQKSLAHQFDUJL-UHFFFAOYSA-N 427.580 5.121 0 40 IKAB Cc1ccc(Cn2c(C)c(/C=c3\sc4nc5ccccc5n4c3=O)c3ccccc32)cc1 9424284 GZGBBPIPDIGMFG-MYYYXRDXSA-N 435.552 5.077 0 40 IKAB COCCn1c(SCC(=O)Nc2c(C)cccc2C(C)C)nnc1-c1cccc(C)c1 9453386 RCUFKIPHLCPFMY-UHFFFAOYSA-N 438.597 5.063 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C 9509009 KDCYXDMMVWUNDM-UHFFFAOYSA-N 428.561 5.289 0 40 IKAB O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccc2ccccc2c1 9518325 IOIZEABTGZSXPT-UHFFFAOYSA-N 440.886 6.744 0 40 IKAB O=C(Nc1cc2c(cc1[C@H](O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 9592460 QBXJGMOWEMQXHX-OAQYLSRUSA-N 430.287 5.099 0 40 IKAB C[C@H](Sc1nnc(C2CCCCC2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9638935 CGXIZDZLVOWORV-NSHDSACASA-N 444.607 5.997 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@@H]2c2ccccc2Cl)cc1 9679514 KHLKYDGUDNJVPE-QFIPXVFZSA-N 447.878 5.250 0 40 IKAB Cc1cccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4Cl)c(C)oc3c2)c1C 9779470 KUVQFFJAKBBTQS-UHFFFAOYSA-N 447.918 6.056 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1cccs1 10303204 RBHAHDXFQONSQV-UHFFFAOYSA-N 447.800 5.718 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cccc(Cl)c1C 11119372 OSYMVXNZBAASGW-UHFFFAOYSA-N 440.952 5.025 0 40 IKAB COc1cc(CN2CCCCC[C@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1O 12185708 YVXVQNDGGJIKRO-FQEVSTJZSA-N 426.488 5.321 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OCc1ccc(C)cc1 12285378 VKPXDEURLYMLPJ-MRXNPFEDSA-N 446.572 5.672 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1N1CCC(Cc2ccccc2)CC1 12419353 RGGBTBWTOVSHBO-UHFFFAOYSA-N 448.544 5.227 0 40 IKAB O=C(c1ccc(Br)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 12711564 PHGYBNVJNKINKQ-UHFFFAOYSA-N 449.373 6.420 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)sc2C)cc1 12752484 BCJCKZCHBMMMPT-UHFFFAOYSA-N 441.940 5.160 0 40 IKAB CC[C@H](C)c1ccc(-n2c(SCc3noc(C)n3)nc3ccc(Cl)cc3c2=O)cc1 12918759 CABVXXCINKCXLY-ZDUSSCGKSA-N 440.956 5.536 0 40 IKAB Cc1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)c1 13059584 CPYYOHIWGHDPNM-UHFFFAOYSA-N 440.330 5.869 0 40 IKAB CCOc1ccc(C(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 13098216 PGDDNHFNGYSGMG-UHFFFAOYSA-N 448.302 5.054 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)N[C@H](c1ccccc1)c1cccs1 13121502 SKTVILACXZIQSU-RUZDIDTESA-N 442.540 5.285 0 40 IKAB COc1ccc(CNCC[C@@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1OC 13139873 JSDVJMOIUAOCKP-VWLOTQADSA-N 437.555 5.942 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cc(F)ccc1F 13141246 PVIXDGDRLCRQEO-UHFFFAOYSA-N 434.471 5.215 0 40 IKAB Cc1cccc2sc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccc(Cl)cc3)C4=O)nc12 13148959 ADSJBLYREXAZPM-UHFFFAOYSA-N 447.903 5.311 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13709166 GENVICHILVQIQR-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB Cc1cc(NC(=O)c2cccs2)n(-c2nc3ccccc3n2Cc2ccccc2Cl)n1 14360437 BIIAMSQQTYQANB-UHFFFAOYSA-N 447.951 5.546 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17097422 IIEKMGHPBHWTOC-DHZHZOJOSA-N 431.344 6.088 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(Br)cc1Cl 17098467 SNKOWIJWJXWJGD-UHFFFAOYSA-N 433.527 5.434 0 40 IKAB O[C@@]1(c2ccccc2)c2cccc(Cl)c2[C@@](O)(c2ccccc2)c2cccc(Cl)c21 17173100 OXZHORJEIJPDMT-WMPKNSHKSA-N 433.334 5.875 0 40 IKAB CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 20065165 NKPVUUAYPKTESU-ILBGXUMGSA-N 441.531 5.183 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(Cl)c1 20493861 QLLWCIIIEZEEJO-XMHGGMMESA-N 440.326 6.349 0 40 IKAB O=C(O)[C@@H](c1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 20728950 VQTGHYUXEWYYMK-RUZDIDTESA-N 445.950 5.436 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 20797452 QPDKFIGDPWKYMW-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4ccccc4)no3)C3CCCC3)C2)cc1 22255744 HAPPFXBEZKKWJK-QFIPXVFZSA-N 444.579 5.233 0 40 IKAB O=c1cc(O)c2sc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)c3c2[nH]1 27021308 KIYGKBUJTSBLBC-UHFFFAOYSA-N 441.228 5.292 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Br 28403467 PMORQKCIZXVWCG-UHFFFAOYSA-N 436.281 5.062 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 30998730 VWRUOLRRXBSIDA-DEOSSOPVSA-N 431.923 5.316 0 40 IKAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccccc1N1CCCC1=O 32810202 QLHKIRDQVLRFLT-UHFFFAOYSA-N 443.528 5.108 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccccc1F 33000525 RURXCCSUKZPKBJ-UHFFFAOYSA-N 427.482 5.012 0 40 IKAB Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1C 33026578 KVBQTSWNVRLCOM-UHFFFAOYSA-N 430.533 5.248 0 40 IKAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC[C@H](C(F)(F)F)C2)cc1Cl 35600958 KGFLCLNPMXKFRV-HNAYVOBHSA-N 426.866 5.303 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(Cc2ccccc2F)CC1 39745407 YMQFHXALPDTAMT-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 40944317 ZVJNHFJBJAITLO-UHFFFAOYSA-N 427.136 5.353 0 40 IKAB COc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)CC3CCCCC3)cc2)cn1 49421805 IEWRGTRNGRVPSL-UHFFFAOYSA-N 446.551 5.101 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1C 67217185 GALZZAOHZQUJNE-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 69877921 MFNOSDNLPYWDLW-LJQANCHMSA-N 447.505 5.189 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 89662047 QAMLRPXMMZCXPN-RTBURBONSA-N 446.979 5.144 0 40 IKAB CCCC(=O)N1CCC(C(=O)N[C@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1 95458920 JROYXEBDYTVEOX-FPOVZHCZSA-N 438.534 5.277 0 40 IKAB CN1/C(=C\C=C2/C=C(/C=C\C3=[N+](C)c4ccccc4C3(C)C)CCC2)C(C)(C)c2ccccc21 95913057 WETHPMQTTVATNU-UHFFFAOYSA-N 449.662 7.597 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4cccc5c(C)c(C)[nH]c45)CC3)o2)cn1 100155939 MJSSFRZRMOHOSQ-KDURUIRLSA-N 443.551 5.242 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102639880 JZHYJIYCLMFOKD-HGBASVHRSA-N 426.604 6.754 0 40 IKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)NCCc5cccc6cccnc56)(C4)C2)C3)cc1 102724682 FGTRKYGLHTVXPX-SCIXCNGFSA-N 440.587 5.440 0 40 IKAB OC1=C2C(=Nc3ccccc3S[C@@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21 104154505 RBPWPISNPRUYGL-GDLZYMKVSA-N 447.559 7.516 0 40 IKAB 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(C)CCc2ccccc2)C1 118915033 QXDFHJAYYMOLSW-DBPHNRAASA-N 436.680 7.600 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)NCCSc1ccc(Cl)cc1 218852793 MZNUICSMZIOMMD-UHFFFAOYSA-N 435.170 5.043 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 222540323 BUCODFHSHCJIMR-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222747179 CYRSTZSPOATZIZ-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222846714 WDTASKXIXOXWRB-UXHICEINSA-N 442.382 5.485 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222935662 UICNGIDICRHLOQ-SFTDATJTSA-N 444.025 6.108 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223748495 GLLSYRDQCCGDSN-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(Cl)c1 224146778 LSDNFUSGHLLQRT-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224215831 ZLFCLKBDLIIBEI-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225172979 GQILOGKQPARSSS-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB Cc1ccccc1-c1noc(CN(C)C(=O)c2cccc(OCc3ccccc3Cl)c2)n1 225781481 XHBRRAFYVHJFJM-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(F)(F)F 225955386 GVGSRNWWDQHCOZ-UHFFFAOYSA-N 439.905 6.844 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2ccncc2)CC1 257280364 OKOAZTOVLWRNNS-UHFFFAOYSA-N 433.621 5.160 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)ccn1 257287277 PPGGRYFJDGLTFA-JOCHJYFZSA-N 444.560 5.460 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)n1 257289822 QAHWDNBPMOAHQT-WMZHIEFXSA-N 443.522 5.028 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)CC1 257331965 XVCSQEJRGZPAQA-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 260784255 VMRZSJYVSBZFHU-YSGRDPCXSA-N 431.989 5.510 0 40 IKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1cccc(Br)c1 408527706 CJFJHNXGQXUZPJ-UHFFFAOYSA-N 431.289 5.792 0 40 IKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1ccccc1Br 408532526 ZIZUXWCFVUUCHL-UHFFFAOYSA-N 447.288 5.918 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccccc1 408554061 BIPBXYDAWIZZHU-UHFFFAOYSA-N 446.528 5.292 0 40 IKAB O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 408555058 FQLNCFIJTPVEPB-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(Cl)c1 408561506 IZTILMVXYMOZLM-UHFFFAOYSA-N 436.968 5.426 0 40 IKAB CCc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408571973 DQEKDFNLRIICKU-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CSc2ccccc2)cc1 408573944 GALOMRRPKHXRPW-UHFFFAOYSA-N 444.600 6.247 0 40 IKAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)ccc1C 408625195 RKQMWKCNHRGLKO-UHFFFAOYSA-N 449.576 5.063 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)S(=O)(=O)c1ccc2ccccc2c1 408713875 BRGCUQVAKOSZIW-UHFFFAOYSA-N 435.549 5.008 0 40 IKAB O=C(O)c1cccc(COc2ccccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)c1 408902653 PGJUZNWOZUTPCL-KGENOOAVSA-N 431.469 5.205 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)ccc1OCc1ccccc1 409104966 LRJYSIHOUILJDV-BKUYFWCQSA-N 438.346 6.113 0 40 IKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Cl 409215617 CJUGZPBXPBZVDD-XDHOZWIPSA-N 429.328 6.333 0 40 IKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(CCCc1ccccc1)CCOCCO2 643566858 YFSUFAWLNXOFQM-UHFFFAOYSA-N 443.631 6.245 0 40 IKAB CC(C)COc1ccc(C(=O)N2Cc3ccccc3NCC[C@H]3CC[C@@H](C2)N3C(C)C)cc1 643578416 UVPMBWNFHUEIQL-RPBOFIJWSA-N 449.639 5.421 0 40 IKAB O=C1NCCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccccc2)CC1 2037978482 YJZOKKBLQMFTSZ-NDEPHWFRSA-N 439.603 5.398 0 40 IKAB CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@H]1CC2c3ccccc3C1c1ccccc12 688157 LJQCICPMTOGJIE-MTOXIIMISA-N 437.539 5.269 0 40 IKAB FC(F)(F)c1cccc(NC(=S)N2CCS[C@@H]2c2ccc(Br)cc2)c1 716946 DROWEFDSJWWLCA-OAHLLOKOSA-N 447.345 5.912 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1 849957 OFZZWJUTNYYBAY-UHFFFAOYSA-N 439.792 6.308 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 884673 QFGXTLYNOLSJLB-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1F 901566 MJBFTGIGHPCMTM-UHFFFAOYSA-N 427.448 5.402 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 907841 GBWPLAWWSRBXOE-IBGZPJMESA-N 445.588 5.376 0 40 IKAB CCN(CC)C(=O)c1sc2nc(-c3ccccc3)cc(-c3ccc(OC)cc3)c2c1N 989095 LYBWDFZRTLVYRV-UHFFFAOYSA-N 431.561 5.703 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1224247 JOLPFDLZJKVNDJ-UHFFFAOYSA-N 427.573 5.544 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)Nc1ccccc1Cl 1993641 ZASGGKBORFFSOU-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB Cc1ccccc1-n1cnc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc21 2296234 KQYRRNKPNKYBBY-UHFFFAOYSA-N 427.511 6.688 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 2745578 RZDNFAUHZUVSHY-AWEZNQCLSA-N 429.538 5.057 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2753151 WCVHWSSITVSVBK-UHFFFAOYSA-N 441.745 7.423 0 40 IKAB CCc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799263 YWGUSKVCTFZTCL-AWEZNQCLSA-N 431.483 5.844 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 3016925 DJICCFLRXCVCQE-LFVJCYFKSA-N 445.946 6.561 0 40 IKAB COc1cccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)c1 3092844 ORAUHGWXSSOUCB-UHFFFAOYSA-N 444.712 5.594 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 3190469 NXEUDPLQPFWHHL-YCIYHOANSA-N 434.322 5.564 0 40 IKAB biogenic COCCN(CCOC)C(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3214330 AEWHGRSSMQLDDQ-UHFFFAOYSA-N 440.543 5.304 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)/C=C/c3cccs3)cc2)cc1 3224133 RFEFZZZCJQBTIE-FOCLMDBBSA-N 449.572 6.423 0 40 IKAB COc1ccc2nc(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)sc2c1 3225448 UWHSETFNHQGZSP-UHFFFAOYSA-N 443.764 6.732 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cc1Cl 3312187 SPZZHOAGEJXILA-FQEVSTJZSA-N 447.840 6.204 0 40 IKAB Cc1cc(Cl)ccc1OCCCC(=O)OCC(=O)c1ccc(Br)s1 3342331 XLLPFIIWNGCMJR-UHFFFAOYSA-N 431.735 5.058 0 40 IKAB CN(Cc1ccccc1)c1nc(CN2CCCCC2)nc2scc(-c3ccccc3)c12 3357544 BBMSLHBWZFTXAQ-UHFFFAOYSA-N 428.605 5.981 0 40 IKAB Cc1cc(C(C)(C)C)cc(S(=O)(=O)Nc2cc3sc(=O)oc3c3ccccc23)c1C 3653584 ZGAFLMFYFKRXNE-UHFFFAOYSA-N 441.574 5.723 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655514 PACXUSXUMMZGCS-UHFFFAOYSA-N 427.500 5.979 0 40 IKAB CC(C)(C)[C@@H]1CC(C(=O)Oc2ccc(I)cc2)C[C@@H](C(C)(C)C)C1 4426814 PGRQESGPGKWUSM-HZPDHXFCSA-N 442.381 6.321 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 8254508 LJRJYFWWULZTIX-UHFFFAOYSA-N 426.000 6.376 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)NCc3ccncc3)c(C)c2c2occ(-c3ccccc3)c12 8791500 CVJUTMTURBHXJW-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic COCc1cc(C)nc2sc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c(N)c12 8846728 MXUKEYRTGQNKPS-UHFFFAOYSA-N 431.561 5.176 0 40 IKAB FC(F)(F)c1cc(NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1Cl 8870229 JNPJHQLVCDXQSG-UHFFFAOYSA-N 433.204 6.840 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902779 YPMYKSWWZARZRH-CQSZACIVSA-N 435.505 5.571 0 40 IKAB COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3ccc(OC)c(OC)c3)n2)cc1OC 9052701 YPMOWABWTAXRJY-GOSISDBHSA-N 439.537 5.172 0 40 IKAB CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@H]1c1ccccc1 9056667 XISQUFYSDMNNIZ-OZXSUGGESA-N 428.532 5.381 0 40 IKAB Cc1ccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(C(C)C)cc3)c3ccccc32)cc1 9225595 BBKMKRZBEGNVEF-MHZLTWQESA-N 442.584 5.598 0 40 IKAB COc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 9498517 KDVMVJJCJSLFCV-KRWDZBQOSA-N 433.533 5.267 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)o2)c(OC)c1 9577929 IZKXCJROMRMTDO-JOCHJYFZSA-N 432.501 5.470 0 40 IKAB Cc1ccc(C(=O)[C@@H](CC(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 9591931 RXESRLGDRDYJNV-RUZDIDTESA-N 434.557 5.218 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccc(OC)cc2)cc1 9674183 WPLPRUGAMFTIHE-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB Cc1ccccc1C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 10246903 DCMIAOYBSLAPCR-UHFFFAOYSA-N 428.444 5.017 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2C)cc1 10314235 WNTPAFQVKOTFSD-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccc(-c2nc(COC(=O)Cc3c(F)cccc3Cl)cs2)cc1OC 12635384 AJZYUVRBKNIZGK-UHFFFAOYSA-N 435.904 5.296 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](NCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1 12792821 WUSYGXRAOPQFAB-JOCHJYFZSA-N 440.902 5.110 0 40 IKAB COc1cc(-c2cc(C(=O)N(C)Cc3ccccc3)c3ccccc3n2)cc(OC)c1OC 13135955 BTQGKLZVCQBANJ-UHFFFAOYSA-N 442.515 5.200 0 40 IKAB c1ccc(CN2CCO[C@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)C2)cc1 13147635 KVZVOUHFCUUYSL-DEOSSOPVSA-N 441.600 5.737 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccc(C)cc1 13568360 SALNYKPGCNMFEK-UHFFFAOYSA-N 428.001 5.659 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13685469 YXTDSUHEZOBPFP-PMACEKPBSA-N 438.527 5.737 0 40 IKAB O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 13998236 MHTQWLGQZQJDEI-RRPNLBNLSA-N 439.555 5.377 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1-c1ccc(Cl)cc1Cl 14426483 UCKRMLMMWCKTCL-UHFFFAOYSA-N 449.407 5.928 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3nccs3)nnc2-c2cc3ccccc3o2)cc1 15018936 JTWYNCFWSYPONL-UHFFFAOYSA-N 447.545 5.176 0 40 IKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccccc2F)cc1OC 16227424 DKRLPBOUOULXPC-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB Cc1ccc(S[C@@]2(CN3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 16310904 VHAFIUUCEBAGQT-QFIPXVFZSA-N 446.410 5.350 0 40 IKAB Cc1nc(SCC(=O)c2cc(Cl)sc2Cl)c2c3c(sc2n1)CCCC3 16363303 SRGXMTRSKVXKIE-UHFFFAOYSA-N 429.419 6.222 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 17095216 BPTFGJKIJCBSHM-CQSZACIVSA-N 426.969 6.549 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 17101025 DMIHCFMZZIAAHH-LBPRGKRZSA-N 437.030 5.382 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)cc1 19531235 LIFRVRWSVURYTI-KRWDZBQOSA-N 447.457 5.106 0 40 IKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1ccccc1 19817303 LRPXOXSUTAFYAN-CQSZACIVSA-N 438.314 6.428 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 20111735 ZOGMEAXAIOSXND-FQEVSTJZSA-N 426.409 6.139 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)[nH]c1-c1ccc(Cl)cc1)Nc1nccs1 20182378 FXEDTXZVWCMNSV-UHFFFAOYSA-N 444.944 5.724 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1Cl 20411203 BAYVBMVQOAGYFI-UHFFFAOYSA-N 434.923 6.923 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 20483505 DLCDMXUOMYGJGI-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)oc2cc1C 21578499 UVPQSOKGOAJZSX-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3sc(Nc4ccc(F)cc4)nc3C)ccc21 22246073 GPMJFGKXTNFVFW-UHFFFAOYSA-N 444.535 6.714 0 40 IKAB COc1cccc(NC(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)c1OC 22504595 HRBYPSYCPLZSCU-UHFFFAOYSA-N 437.521 5.002 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 22520228 RMLJKJPQEYYDOR-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB COc1ccc(OC)c(CN(C(=O)c2sc3nc(C4CC4)nc(C)c3c2C)C2CC2)c1 25809751 XBJJHCLZEUHLPT-UHFFFAOYSA-N 437.565 5.008 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccc(F)c2)c1C 26770909 FVEAYCONINERQC-XMMPIXPASA-N 430.548 6.958 0 40 IKAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 27332751 ZAKODSQMXMIBJZ-JOCHJYFZSA-N 446.576 5.015 0 40 IKAB O=C(Nc1ncc(Cl)cc1Cl)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971919 XOJVMEDIEBEBFM-UHFFFAOYSA-N 439.302 5.541 0 40 IKAB Cc1c(C(=O)NC[C@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2ccc(Cl)cc12 28291592 KTRSKWQUQAIAFE-JOCHJYFZSA-N 440.971 5.321 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1C(=O)c1cccs1 28535367 CEKNKPXTOBIYLZ-UHFFFAOYSA-N 429.423 5.245 0 40 IKAB O=C(NCc1ccco1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 32101573 COCGQFYEWPFTAT-QHCPKHFHSA-N 432.495 5.182 0 40 IKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccccc4Cl)cnc23)cc1OCC 44167067 BGRHEFKLQJKSPD-UHFFFAOYSA-N 440.952 5.624 0 40 IKAB CCc1ccccc1NCc1cc2c(-c3ccc(F)cc3)nn(-c3ccccc3)c2[nH]c1=O 57761903 AHPLBDUTIBHYMV-UHFFFAOYSA-N 438.506 5.694 0 40 IKAB CN(Cc1cccc(Cl)c1Cl)Cn1ccc(=O)c2cccc(Br)c21 58377550 FWJRFWNZJHLRBP-UHFFFAOYSA-N 426.141 5.160 0 40 IKAB CC(C)COc1ccc(CCC(=O)Nc2ccc3c(c2)C(O)=Nc2cccnc2O3)cc1 79477985 LTGTWGORTYZBNU-UHFFFAOYSA-N 431.492 5.430 0 40 IKAB O=C(CCSc1ncnc2c1[C@@H]1CCCC[C@@H]1S2)Nc1cccc(C(F)(F)F)c1 96305870 CARSRCWHZXMFIO-CABCVRRESA-N 439.528 5.748 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)CC(c3cccs3)=Nc3cc(C)c(C)cc32)c1 101948074 HYLMWYSEDXQASR-UHFFFAOYSA-N 431.561 5.478 0 40 IKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(OC(F)F)c(Cl)c1 103007685 REJOUOSWWVEECO-VMFHFQHDSA-N 448.735 6.004 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3[C@@H]2c2c(-c3ccccc3)n(C)c3ccccc23)cc1 107795690 DWZZURHVWBQXBC-GDLZYMKVSA-N 428.535 6.904 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 113958919 JSOMSHHSRPNRLN-DEOSSOPVSA-N 440.631 6.249 0 40 IKAB CCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1Cl 216289581 JHVCPCPMYDIMPO-UHFFFAOYSA-N 431.897 5.110 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219844249 KZBQZHALAMDXFB-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420725 HHNBMMYPDGVDMZ-VWLOTQADSA-N 434.967 5.179 0 40 IKAB CC(C)OC(=O)c1ccc(NC2CCCC2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223424698 CCHNEBBPWSOGNT-UHFFFAOYSA-N 436.961 5.061 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223555316 ASQXZUMJPCROJF-QFIPXVFZSA-N 444.641 5.140 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC2CCCC2)cc1 223813622 ILFWMMRULSBDKF-JOCHJYFZSA-N 442.603 5.557 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)c1 224054082 WTWIKIPDSXINSG-IBGZPJMESA-N 444.616 5.008 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224161313 IDXBVXHTOYFWCD-ZEQRLZLVSA-N 443.597 6.311 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)c1 224245846 NEUJZRZJRKFZIY-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 224267641 TUYXHQQPECIXGX-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc(Cl)cc1 224476039 BIPKZPGAMOOSAW-PKTZIBPZSA-N 431.948 6.172 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccc(Cl)cc1 224501737 PLKMNCSBUMYTMS-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 224529438 AOAHQUIBRQIRKT-YIXHJXPBSA-N 444.915 5.240 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224551566 WQQHRIUMKMEVJY-AREMUKBSSA-N 430.592 5.352 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225365042 LACNRBUMDUQMCH-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225585904 LXUFRKNKESAVFO-UHFFFAOYSA-N 430.951 5.651 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225602003 LILDXWAZSFBVAF-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225624334 ZELCLQUDJYOVQH-CQSZACIVSA-N 441.786 5.131 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(Cl)cc1Cl 225831729 RKHJRGMNZBWXSU-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c(C)n1 225877291 LBSDQJUJDOEEON-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB Nc1nnc(/C=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Br)c2)o1 226341833 LHEHCWVHQZIWCP-AATRIKPKSA-N 441.112 5.471 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccccc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495353 GCLTXTVXGOMTNM-LTMFJCOOSA-N 438.696 6.780 0 40 IKAB O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1Cl 257218740 DEGQIRXEAKXHTQ-JCYYIGJDSA-N 449.038 5.804 0 40 IKAB Cc1cc(-c2cccc(C(=O)O)c2)c2c(c1)[C@H]1O[C@@H](C)[C@@H](c3ccccc3)C[C@@H]1C(C)(C)O2 257233176 GOCXXSHFDWSJOV-CIFHMGLWSA-N 442.555 6.781 0 40 IKAB O=C(NCC[C@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 257236111 HAUTYNNBRASVNB-RUZDIDTESA-N 426.560 5.020 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4ccc5ncccc5c4)C3)CCOCC2)cc1 257264064 LSTDTPVAAWFBRO-HSZRJFAPSA-N 428.576 5.073 0 40 IKAB Cc1ncsc1-c1ncccc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257299862 RRYUYWJTRQHXBL-LJQANCHMSA-N 444.560 5.112 0 40 IKAB CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3cccc(Cl)c3)O2)cc1 257305105 SOLTYUQVWSJMPS-AOHZBQACSA-N 428.960 5.422 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccccc5)cn4)C3)ccc21 257318282 VNFWJYWVGZSEQD-RUZDIDTESA-N 425.576 5.075 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c(C)c1 408546119 QUJXWVMLUBJZTO-UHFFFAOYSA-N 436.577 5.590 0 40 IKAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1OC 408635193 XXGVXFSUNNXEJS-BOPFTXTBSA-N 432.885 5.015 0 40 IKAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 408669732 OCJBRBQILBQQGQ-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccccc1 408698419 NPZZHRDIKDDTSL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409012696 RIGNCQANVNEMMW-XBDQXEDDSA-N 440.304 5.241 0 40 IKAB O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1F 409105459 JWRCGPIJRUWYKD-VCHYOVAHSA-N 431.250 5.485 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccncc2)c1 409108973 ZAWBHROMXUDBJL-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 409120483 WFNWLYIVDCPPSJ-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OC 409180910 UNDJCONJLLGTOP-UHFFFAOYSA-N 431.701 5.354 0 40 IKAB CC(C)(c1c[nH]c2cc(Br)ccc12)c1c[nH]c2cc(Br)ccc12 1889136267 BIXZTURKTMEMNS-UHFFFAOYSA-N 432.159 6.500 0 40 IKAB COc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)cc1 703468 RXCXZJMUIDSLLQ-UHFFFAOYSA-N 436.382 5.564 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(I)cc1 840452 CGLLLBBDBBPICX-VIFPVBQESA-N 436.076 5.004 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)NC(c1ccccc1)c1ccccc1 1335237 HYWWGJKUHUJLOS-UHFFFAOYSA-N 441.600 5.382 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2cccn2C)cc1 1341473 WTYPVUPAYMFOMR-RUZDIDTESA-N 449.620 5.161 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N(Cc3c(Cl)cccc3Cl)C(=O)[C@H]2C)cc1 1381911 PFKPDMMBANWANT-MRXNPFEDSA-N 439.342 5.884 0 40 IKAB NC1=C(c2nc(-c3ccccc3)cs2)[C@H](c2ccco2)c2c(c3ccccc3oc2=O)O1 1641962 AYMVFKCJJBANOF-LJQANCHMSA-N 440.480 5.361 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1944541 DFYWFTXMTIWCNU-ZDUSSCGKSA-N 435.973 5.357 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1ccccc1 2188698 VUXKXFAVGDLRMW-STZFKDTASA-N 433.891 5.662 0 40 IKAB c1ccc(-c2nc(SCc3ccc4c(c3)OCO4)c3c4c(sc3n2)CCCC4)cc1 2280487 LTJDSTSMQLWQIR-UHFFFAOYSA-N 432.570 6.258 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(Cl)cc2Cl)cc1 2322497 GTWNNESLYRSQJM-UHFFFAOYSA-N 441.314 5.458 0 40 IKAB CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O 2331744 DQSQMRLELSPEFS-UHFFFAOYSA-N 443.503 5.510 0 40 IKAB biogenic O=C(COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1)c1ccc(F)cc1 2402279 VRSQNEOPQPGLPS-UHFFFAOYSA-N 442.364 5.880 0 40 IKAB biogenic Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1cccnc1 2625129 OCHJWUAWHSISSH-IBGZPJMESA-N 447.608 5.125 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccccc3F)s2)c1C 2626160 USSUECRVHBFCJW-ZDUSSCGKSA-N 434.562 5.022 0 40 IKAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 3220022 BOGYICUFQAUFAZ-VWLOTQADSA-N 430.515 5.602 0 40 IKAB COc1ccc(C(=O)OCC(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1OC 3226533 UWKKXNFDQXTJML-UHFFFAOYSA-N 448.519 5.046 0 40 IKAB CCCCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 3227210 CIPWWSAIKQRPGW-UHFFFAOYSA-N 442.632 6.180 0 40 IKAB COc1ccc(C)cc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3316321 JCNZFIGSPUHINB-UHFFFAOYSA-N 432.501 5.076 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3352460 HHYUDDBLIQUPSJ-UHFFFAOYSA-N 432.932 6.573 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c1 4122960 RRSRUXCUTRBYHY-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB O=C1[C@H](C(OCc2ccccc2)=C(F)F)[C@@H](c2ccccc2)N1c1ccc(Cl)cc1 8436877 IDIIHBWOYSCLKB-LEWJYISDSA-N 425.862 6.369 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(OCC)cc1 8439108 HUVVENJXNSFKOB-UHFFFAOYSA-N 441.549 5.232 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)c2nnc(-c3ccccc3)o2)s1 8728400 PWAGPRIPRLOPMF-ZDUSSCGKSA-N 425.539 5.584 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)cc1 8756923 ZQZIMSYEYZXVME-UHFFFAOYSA-N 437.565 5.068 0 40 IKAB CC(C)c1ccc(/C=C/[C@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 8781211 DAUHQFMSTJQIAD-NYFQZCOISA-N 436.599 6.360 0 40 IKAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 8860090 XYAMIYHXMKVHPN-LJQANCHMSA-N 433.558 5.668 0 40 IKAB aggregator CC(=O)Nc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 9090317 FYTIIWIERRXYRQ-QHCPKHFHSA-N 440.528 5.177 0 40 IKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3C)cc2O)n[nH]c1C 9129662 LKQOGEHBQIFJMV-UHFFFAOYSA-N 430.504 6.169 0 40 IKAB O=C(CSc1nc2c(c(-c3ccccc3)n1)CCCC2)N1N=CC[C@@H]1c1ccccc1 9209684 NQUYRRJNCZSNLR-JOCHJYFZSA-N 428.561 5.074 0 40 IKAB C[C@@H](Sc1nnc(-c2cccc(Cl)c2)o1)C(=O)Nc1ccc(Br)cc1 9255905 GJJNBLQNERHVDB-SNVBAGLBSA-N 438.734 5.272 0 40 IKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1ccccc1Cl 9327430 HNDGEMALLGSVRG-UHFFFAOYSA-N 425.941 6.009 0 40 IKAB COC(=O)C1=NN(c2ccccc2C)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9590572 HCSIBTKOVGUUNG-VWLOTQADSA-N 442.544 5.089 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)c1)c1cccs1 9764654 PHWOXBPFPLGTKL-UHFFFAOYSA-N 447.585 5.630 0 40 IKAB COCC(=O)n1nc(NCc2ccc(C(C)C)cc2)nc1NCc1ccc(C(C)C)cc1 9847140 FFZOZVXVCYTRFM-UHFFFAOYSA-N 435.572 5.036 0 40 IKAB COc1cc(Br)cc2c1O[C@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(Cl)c1 9849141 HSHUEUUUGTWZJD-DNVCBOLYSA-N 437.721 5.189 0 40 IKAB O=C1c2ccccc2CC[C@H]1[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 10059609 YINNRXHQONSTFJ-VAVYLYDRSA-N 433.507 5.020 0 40 IKAB CC[C@H](C)n1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 11424528 SBXNDTGFOCMKIO-IFXJQAMLSA-N 441.622 5.017 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4ccc(C(C)C)cc4)=Nc4ccccc43)cc2)cc1 12497720 NRKYOJAPHJMDCJ-UHFFFAOYSA-N 445.566 6.920 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 12766787 JNQWYUJYNWCNJX-UHFFFAOYSA-N 437.337 5.093 0 40 IKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2csc(COc3ccc(F)cc3)n2)cc1 12853608 JXIIUZBESWOTEX-UHFFFAOYSA-N 427.501 5.098 0 40 IKAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2c(C)cccc2C)c1=S 12904817 QGCACMINGOPVMR-UHFFFAOYSA-N 443.016 6.180 0 40 IKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@@H]3CCC[C@@H](C(F)(F)F)C3)cc2)o1 13000944 NCHYRAUADVKGOS-QZTJIDSGSA-N 429.442 5.563 0 40 IKAB CC(C)COc1ccc(NC(=O)OCc2cn(-c3ccccc3)nc2-c2ccccc2)cc1 13120185 VNRLIDAGBAKAKZ-UHFFFAOYSA-N 441.531 6.323 0 40 IKAB O=C(COc1ccc2c(c1)CCC2)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 13148216 SYIBKTKNYNGSTE-MHZLTWQESA-N 425.484 5.203 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 13788224 CSVYUOYFXBDRLA-QFIPXVFZSA-N 444.406 6.046 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 13936287 LJWIIGZGCRJDMO-UHFFFAOYSA-N 439.606 5.530 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2cccc(Cl)c2)C[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 13969888 NZKUSTGCPFZVKU-HYBUGGRVSA-N 447.406 5.738 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)cc1C 14038485 YPUUTIVXBFCEAG-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCOc1ccccc1C(=O)Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1 14055405 KTQXKTKYSOCXSC-UHFFFAOYSA-N 441.516 5.171 0 40 IKAB c1coc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)o2)c1 14129615 KFVLMGHUHPKDLD-UHFFFAOYSA-N 427.555 5.371 0 40 IKAB Cc1cc(OCCCn2cc(C(=O)COc3ccccc3)c3ccccc32)ccc1Cl 14135956 CHKLIVDREJAXEV-UHFFFAOYSA-N 433.935 6.334 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)c4nnc(-c5ccc(F)cc5)o4)o3)cc2C1 14242955 NUKKJHUCHWTQST-RYUDHWBXSA-N 442.541 5.965 0 40 IKAB Clc1ccccc1/N=c1\scc(-c2ccc3c(c2)OCCO3)n1C1CCCCC1 15910604 QEDCWRPRPVFRFT-BZZOAKBMSA-N 426.969 6.379 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)COc3ccc(C(C)C)cc3)nc2cc1Cl 16284245 NFMILCROGKFTOF-UHFFFAOYSA-N 433.986 5.274 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4)c3)nc2c1 16611131 PWSIGKMORHCQAY-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB Oc1nc2sc3c(c2c2nc(COc4ccccc4-c4ccccc4)nn12)CCCC3 16684553 QCPXOBXWXGXJCX-UHFFFAOYSA-N 428.517 5.169 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccc(C)cc4C)nc23)cc1 16846060 QTCRASPDWBYUIB-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccc(Cl)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 17025789 ZIVBGRGBONFQJH-IBGZPJMESA-N 439.972 5.198 0 40 IKAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(Cl)c2)c1 17120505 DMGGFPMBIBKNHG-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2cccc(Cl)c2Cl)cc1 17917230 CZGHBPAVGARDAP-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692221 ADJVCEQAPNTSEF-DEOSSOPVSA-N 449.913 5.160 0 40 IKAB Cc1nc([C@H]2CCCN2C2CCCCC2)nc2c1CCC(=O)N2CCCc1ccccc1 19695969 NKPRFVSEXVMPFT-XMMPIXPASA-N 432.612 5.167 0 40 IKAB Nc1c(Cl)cc([C@H](O)CN[C@@H]2c3ccccc3CSc3ccccc32)cc1Cl 19801899 JQXZAVXODXQBDJ-DENIHFKCSA-N 431.388 5.594 0 40 IKAB Clc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2)cc1 19810065 TVUJTDUKOUVEEC-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB Fc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 20876491 AWIUNTUVDZZHIE-UHFFFAOYSA-N 434.736 6.110 0 40 IKAB C[C@H](C(=O)Nc1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22920637 IHLPSSABOMNBIL-HSZRJFAPSA-N 449.598 5.574 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1-c1nc2ccccc2s1 23200314 FZNTWURCRSQKOT-UHFFFAOYSA-N 433.583 6.330 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1nc(-c2ccc(-c3cccc(F)c3)s2)cs1 27913867 VOYQBRZGLRLQAI-UHFFFAOYSA-N 428.941 6.512 0 40 IKAB O=C(Nc1cccc(CNC(=O)c2cc3c(s2)-c2ccccc2CC3)c1)c1cccnc1 30667957 CHIIJBPFTZBJNP-UHFFFAOYSA-N 439.540 5.091 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)cc1 30853323 UJXMUQGOKLSCCO-IBGZPJMESA-N 434.374 5.402 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccccc2NS(=O)(=O)c2cccs2)cc1Cl 31648527 GNLNETSTUSFAMH-UHFFFAOYSA-N 434.970 5.082 0 40 IKAB COc1cc(Cl)c(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)cc1Cl 31904062 NSZIEUCBUHXKQN-UHFFFAOYSA-N 436.360 5.393 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@@H](c2nnc3ccccn23)C1 32830587 ABRYVWDOWGEAAS-HXUWFJFHSA-N 449.514 5.071 0 40 IKAB CCN(C(=O)CSc1nc2cc(-c3ccccc3)sc2c(=O)n1CC)c1ccccc1 33278130 VKFUNMSXDBTLRP-UHFFFAOYSA-N 449.601 5.290 0 40 IKAB CCCCCCOc1c(Cl)cc(C(=O)Nc2ccc(C)c3ncccc23)cc1Cl 41157604 IFPJREZFVHULNF-UHFFFAOYSA-N 431.363 7.061 0 40 IKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2c2c1OCN(Cc1ccc(OC)cc1)C2 55393772 FMRUCFIUYZBGKT-UHFFFAOYSA-N 427.500 5.383 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 57472741 QWRJLDGRSKQJSC-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)NCC(C)(C)c3cccc(F)c3)sc3ccccc23)C1 72352617 MDQVEUNVAWGJFA-QGZVFWFLSA-N 438.568 5.084 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2nc(-c3cccc(C(F)(F)F)c3)c[nH]2)c1C 78820676 PONBULMXDJVGQE-SFHVURJKSA-N 444.457 5.220 0 40 IKAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccccc4)c(=N)c32)cc1 101119520 FUYDJJRFPJQRSP-RUZDIDTESA-N 445.522 5.859 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2Cl)n1C 108108178 NDAKJRHXNMEFNL-GOSISDBHSA-N 449.407 5.541 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 223564201 KMARWZMWCCMHIE-HSZRJFAPSA-N 426.626 5.201 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223789694 YFWRRIJJASKVGP-RPWUZVMVSA-N 432.593 5.411 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 224198117 CTWLXSRDNOUFQZ-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224206635 LRZUGUKCVIESLH-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224324248 KDMDLOFIMXAYKV-OALUTQOASA-N 444.423 5.645 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224506087 VRXHCKDWDHVIHX-MRXNPFEDSA-N 444.358 6.462 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccccc1C(C)(C)C 224509799 FXVZDHUNFWKLBT-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 224576189 DURUBFTXRVWTKH-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cccc3CC)o2)cc1 224917179 DLOFQQMSPGLRRT-UHFFFAOYSA-N 426.516 6.530 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224970601 GREGCYADOUVUGU-MHZLTWQESA-N 444.619 5.395 0 40 IKAB CCOc1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1OCC 225528454 IEYQFUYWBXRAIZ-UHFFFAOYSA-N 443.794 5.387 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(F)cc3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 225541925 CPMBMNAODRAVGH-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225615077 NBOUSXIHWKXORR-PGRDOPGGSA-N 447.044 5.463 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225769324 DSVNVTABRSJPPK-SANMLTNESA-N 443.616 5.815 0 40 IKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1Sc1ccccc1 225809545 HYDFDTGYHWBBHC-UHFFFAOYSA-N 435.936 6.113 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1 225864221 XPQFWCCRMZIZOU-UHFFFAOYSA-N 426.582 5.326 0 40 IKAB FC(F)(F)c1ccc(N2CCOCC2)c(NCc2ccc(-c3ccc(Cl)cc3)o2)c1 226240795 MXSZJFAAQIDJSF-UHFFFAOYSA-N 436.861 6.068 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]32)C1 253987445 XUGISPSHIFXEHZ-KJFZMSRPSA-N 428.701 7.960 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257214565 CMMCBTLJWKOOBN-HHHXNRCGSA-N 432.612 5.257 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)c3cc(C4CC4)oc3C)CC2)n1 257267945 MJNQLUINYIHYBR-XUTJKUGGSA-N 444.579 5.638 0 40 IKAB COC(=O)CC[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 257350642 YWMXOBLUILSCFX-PJRGRBJSSA-N 446.628 5.345 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1C 408696604 BDDJSHZVIBIMJX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB N=C1NC(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)S1 408735204 MBCDKIPOYUGPQZ-LNKIKWGQSA-N 448.158 6.018 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)cc1C 409010565 CAMUKPZJVGGXSX-UHFFFAOYSA-N 445.972 5.255 0 40 IKAB COCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C1=O 409234132 MCFBMYWWQRFINH-BOPFTXTBSA-N 436.327 5.090 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2cc(Cl)ccc2o1 409330822 MEEGJYZSPYSJBC-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OC 409370827 BLXGHXXNOZEHAE-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 409383756 FEGLTZQCNFMJSK-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 510325227 GNHDHRPPAOEOQT-UHFFFAOYSA-N 447.966 5.311 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 1889151984 QUYCEUJYTAJEMW-LTTOCYKASA-N 448.569 6.463 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 675271 KMQXEBKRCFGTHL-SJLPKXTDSA-N 434.849 5.758 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1F 900865 IIXGKZGFXMCWKY-LLVKDONJSA-N 439.409 5.560 0 40 IKAB Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2-c2ccc(C(F)(F)F)cc2)n1 995379 UOVGNEXUWRKZEE-UHFFFAOYSA-N 442.466 5.104 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 1511323 GJPKZVNHYZRYEO-AREMUKBSSA-N 442.584 6.230 0 40 IKAB Cc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 1818009 XBVXPKGDLMBYQI-UHFFFAOYSA-N 448.950 5.429 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 1841540 SZSGMDUGXGVMEY-JXMROGBWSA-N 439.298 6.462 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 1966398 CEPVYYYETFLMFY-UHFFFAOYSA-N 425.525 6.281 0 40 IKAB COc1cccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c2[nH]c2ccccc23)c1 2114364 INUUZHUPBISARA-UHFFFAOYSA-N 435.527 5.754 0 40 IKAB biogenic CCCSc1nc(SCCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2396706 GSRNOKGCFZTCRV-UHFFFAOYSA-N 430.664 6.380 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 2757645 RVYLQTOFYCUVNF-OALUTQOASA-N 425.594 5.843 0 40 IKAB Clc1ccc(Cc2nc(SCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 3063726 JZCHYNHSEGXROL-UHFFFAOYSA-N 445.802 7.473 0 40 IKAB CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 3287855 XYSIJABQKVSAFP-QGZVFWFLSA-N 428.646 5.611 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)cc1 3295134 OJXRFKFBFCHZFL-UHFFFAOYSA-N 442.385 5.089 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 8828308 UZFSBZZGELXWMV-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC 9045637 BPXVUADICNNCFX-WNCULLNHSA-N 428.532 6.070 0 40 IKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1)O2 9185277 JYWZLYAXJZWTRI-WMZHIEFXSA-N 449.304 5.420 0 40 IKAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(Cl)c(Cl)c4)nc23)cc1 9261182 CUGLVVNGXWYIDM-UHFFFAOYSA-N 438.236 6.398 0 40 IKAB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc(C)cc1 9304995 SKRCTOGEROVZFP-UHFFFAOYSA-N 440.657 5.860 0 40 IKAB Brc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc3c(c2)OCO3)c1 9508053 DNEWSAQGQVVXRJ-UHFFFAOYSA-N 445.276 5.127 0 40 IKAB Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cc(C)ccc5C)CC4)cc23)cc1 9561485 XKYAJAIXUUQBCQ-UHFFFAOYSA-N 425.532 5.382 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)c1 9752525 DNDGBCIXFLVXNG-UHFFFAOYSA-N 447.560 5.551 0 40 IKAB CC(=O)C1=NN(c2ccccc2)[C@]2(CCC(c3ccccc3)=NN2c2ccccc2)S1 9969671 DURCXFIKVHWMCD-RUZDIDTESA-N 426.545 5.501 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 10362028 OROIEFZMOFLYGF-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COC(=O)c1sc2ccccc2c1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 11024916 HDZFTCYRLVODDI-UHFFFAOYSA-N 438.508 6.155 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cc(Br)cs1 11690084 PZYXPQVSYBWFNU-UHFFFAOYSA-N 448.194 6.117 0 40 IKAB COc1cccc(C(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 12469698 DXBVSNCKNQJCTQ-UHFFFAOYSA-N 426.950 5.995 0 40 IKAB CCCNC(=O)C1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1 12793303 JFKBGKKMSOKNJL-UHFFFAOYSA-N 431.001 5.011 0 40 IKAB CCc1ccccc1NC(=O)CNC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 12822700 PUMSTYFKUBBOFO-UHFFFAOYSA-N 431.517 5.001 0 40 IKAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3O[C@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@]1(COC(=O)C1)O2 12870675 CVOGMLCVYFNXLE-ABYARVPDSA-N 440.580 5.188 0 40 IKAB biogenic COC(=O)c1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 12881876 MZASLQPLWKGTQO-UHFFFAOYSA-N 440.952 5.284 0 40 IKAB O=C(CN[C@@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Br)cc1F 12926600 GCQCJSXOWOSVRC-IBGZPJMESA-N 437.309 5.107 0 40 IKAB Cc1ccc(N(Cc2ccccc2)C(=O)/C=C/c2cc(Cl)c3c(c2)OCCCO3)cc1 13102685 QJCBYUQCNNPDNQ-JLHYYAGUSA-N 433.935 6.056 0 40 IKAB O=C(CSCCCn1c(=O)[nH]c2ccccc21)Nc1ccccc1Sc1ccccc1 13134747 LIRVCPPRVFKECK-UHFFFAOYSA-N 449.601 5.243 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(NC(=O)c2cccs2)c(Cl)c1 13518473 AJQMFQUXHQHCLJ-UHFFFAOYSA-N 437.373 6.038 0 40 IKAB CCOc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 14254564 OAKAVPYOUXEFOT-NRFANRHFSA-N 449.507 5.747 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2ccccc2)s1 14582659 PJNRPGRFIZNRGH-UHFFFAOYSA-N 426.350 5.155 0 40 IKAB O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1C1CCCC1 14902576 LZPTYJJHRQVPOM-UHFFFAOYSA-N 426.492 5.549 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 15230965 FTGWMAWRYWOGKN-IADAMBAQSA-N 430.498 6.514 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)COc3ccc(C(C)(C)C)cc3)nc2cc1Cl 16284243 LJCOULIOWFCZLV-UHFFFAOYSA-N 448.013 5.448 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 17099191 MPJQGJFSBJRQPG-UHFFFAOYSA-N 434.628 7.178 0 40 IKAB COc1ccc(C2N(Cc3ccccc3)CCCN2Cc2ccccc2)c(OC)c1OC 19330100 MHYVEFVMZKIECV-UHFFFAOYSA-N 432.564 5.119 0 40 IKAB C[C@H](C(=O)N1CCC[C@@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)c1ccccc1 19459160 GWLXLHAGDCXGNK-OJAHFUOMSA-N 444.570 5.213 0 40 IKAB COc1ccccc1-c1ccccc1C[C@]1(C(=O)O)CCCN(Cc2cccc(F)c2)C1 19571705 ZJUPSXWKBZLJBC-HHHXNRCGSA-N 433.523 5.411 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC(c4cc(Cc5cccc(F)c5)cc(C)n4)CC3)nc2c1 19691881 SCLWONXRFPKVFN-UHFFFAOYSA-N 442.538 5.096 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C3CCCC3)CC2)c1 19700399 UJHITPFXTFRYTK-UHFFFAOYSA-N 432.608 5.092 0 40 IKAB CC(=O)Nc1cccc(-c2nnc(SCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)o2)c1 19929270 KPTDKCCEHSCIQY-UHFFFAOYSA-N 449.536 5.335 0 40 IKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19933523 IAUPWKVHFCBEDU-RUZDIDTESA-N 429.560 6.320 0 40 IKAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N(Cc1ccccc1)Cc1ccccc1 20036337 PNJYUVYUJKISPR-UHFFFAOYSA-N 429.541 5.870 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578810 IGAUFMRFJMKRTD-IBGZPJMESA-N 428.532 6.850 0 40 IKAB CCn1cc(C(=O)N[C@H](C)c2ccc(SC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237049 VYMOBQGGXIDTOE-CYBMUJFWSA-N 434.483 5.253 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 27792698 MILGHNDTLASZQU-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB COc1cccc(CNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 28393295 NEDJEMXEZNMPDB-UHFFFAOYSA-N 433.504 5.030 0 40 IKAB COc1ccc(CCNC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc1OC 29506907 YMAVWNMHMYLZIZ-UHFFFAOYSA-N 434.517 5.060 0 40 IKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@@H]1c1nc2ccccc2s1 31393106 QFNXQDPTJWNJKQ-QGZVFWFLSA-N 439.487 5.526 0 40 IKAB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl 33612454 QGYLBDYKAJMREO-UHFFFAOYSA-N 447.368 6.194 0 40 IKAB Cn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 33651067 IWKYNHXMSWOKGY-UHFFFAOYSA-N 434.746 5.937 0 40 IKAB O=C1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 37259943 XIHNGQBYDVKORK-NSNZNLCHSA-N 432.519 5.156 0 40 IKAB Cc1noc(C)c1CSCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 39575159 XLAROICSPJAOBC-IBGZPJMESA-N 429.929 5.149 0 40 IKAB Cc1ccc(C)c(-n2c(S[C@H](C)c3nc(C)no3)nnc2-c2ccccc2Cl)c1 58604896 AAUYJGVVZXAMOH-CQSZACIVSA-N 425.945 5.749 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 59133041 BFVQXSAIXAQENJ-GIDUJCDVSA-N 426.925 5.101 0 40 IKAB C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)cc1F 59926459 BSEHNRLPPSXHOT-QGZVFWFLSA-N 428.552 5.444 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1ccc(F)cc1 67259287 URSGWCMACFKVAX-UHFFFAOYSA-N 444.453 5.895 0 40 IKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2-c2ccc(Br)cc2)cc1 71327539 CUPVQKGONSIWLW-UHFFFAOYSA-N 443.391 5.810 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358492 BEFYBXGKYCAQRK-KRWDZBQOSA-N 429.417 5.321 0 40 IKAB CN1CCC[C@@H](c2cccc(CC3(C(=O)N4CCC5(CCCCC5)C4)CCOCC3)c2)C1 72372262 CJGKMZUIZPGCDH-RUZDIDTESA-N 438.656 5.018 0 40 IKAB CCSc1ccccc1C(=O)NCc1sc2nc(-c3ccc(F)cc3)cn2c1C 90593777 ZPLCMSYPBVBPGE-UHFFFAOYSA-N 425.554 5.552 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 100429569 QPJOZWQOFMZQPP-MYUZEXMDSA-N 442.515 6.248 0 40 IKAB Cc1cccc(N2C(=O)/C(=C\Nc3ccc(SC(F)F)cc3)c3ccccc3C2=O)n1 102607356 XKXUPKGOVLGBCV-UYRXBGFRSA-N 437.471 5.345 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1ccc(Br)cc1 106724620 JIPLCYMMMBKKOE-DHDCSXOGSA-N 442.256 5.704 0 40 IKAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O 118916058 WHQRSVDLJNJCEK-VHBMSGRFSA-N 449.462 6.751 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)ccc1O[C@@H](C)CC 214346714 GQCIIRKSDZTMGG-PCXKXAPESA-N 429.513 5.638 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219961600 HMXROPXPADWKGH-XMMPIXPASA-N 440.631 5.892 0 40 IKAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(OCCSc2ccccc2)cc1 222587178 UTUMDZQYZHXKNM-UHFFFAOYSA-N 447.600 5.336 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 222720027 KJZUNXWGCBOWGE-UKDVSSAZSA-N 446.620 5.786 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c(Cl)cc1Cl 224005599 TYFFUAODSHJHBJ-UHFFFAOYSA-N 426.388 6.024 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1C 224256754 VAXLMSJHKYVEBG-OALUTQOASA-N 444.423 5.700 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224439963 FZFKJEKYFNEOGS-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224592529 CAWIFIMWCWJUKB-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224915690 NXMLFGROYZSGQC-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(C)cc2)cc1Cl 225624681 SMABDDGKBMIXHL-UYRXBGFRSA-N 426.925 5.128 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225630540 MZYPVZPMIUGTNW-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB Cc1ccccc1[C@H]1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CCS1 225741969 KHGNCZMAMKOHQC-HXUWFJFHSA-N 426.969 5.932 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 306139841 UCEFXDULKJLEOH-IEBWSBKVSA-N 445.592 5.378 0 40 IKAB O=C(O)/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)Sc1nc2ccccc2[nH]1 408633411 KJPGIRQPWQAFAD-BOPFTXTBSA-N 434.502 5.401 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 408676315 NAWDIBVRFSGFHT-UHFFFAOYSA-N 426.516 5.950 0 40 IKAB COc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@H]5C4=O)cc3s2)cc1 408748446 AKSIBKVFRGNBJF-HDICACEKSA-N 438.574 5.277 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408749660 IGRNWRGGSBSEKH-IRXDYDNUSA-N 426.538 5.407 0 40 IKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccc(F)cc1 408840595 CPCXBJNENBNDCE-NTUHNPAUSA-N 436.689 5.801 0 40 IKAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1ccc2c(c1)oc1ccccc12 409000782 FWKRNOQZATWZNA-QFIPXVFZSA-N 442.515 5.887 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(Sc3ccccc3)o2)C1=O 409018487 WZZDQXJWSJDCLO-KBVGCWLLSA-N 438.368 6.028 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1CCOc1ccccc1 409052418 HEFNYFIPHFHYPH-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 409059764 OCPKXHLLOZMWIN-OAHLLOKOSA-N 435.611 5.185 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)cc1 409079380 FPFAVGARFCUFMF-UHFFFAOYSA-N 449.016 5.173 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(I)c1OCC 409120263 WAZOEPDLNSZEQF-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB Cc1cc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)ccc1Cl 409176854 ZKUWQSGOCJYRNS-UHFFFAOYSA-N 431.713 6.209 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1CCc1ccc(Cl)cc1 585266053 BDMXHXNTZOBOHM-OAQYLSRUSA-N 442.346 5.608 0 40 IKAB CCOc1ccc(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)C[C@@H]2c2ccccc2)cc1 841665 BHHYYKURYGQDOL-IBVKSMDESA-N 430.500 5.439 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 874481 DJZVODJJSZGESB-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccc(F)cc1 933468 DVSOFBDSMDWGKC-UHFFFAOYSA-N 428.485 5.189 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1sc2cc(Br)ccc2c1Cl 973218 RCIJNLYXFQKAMR-UHFFFAOYSA-N 445.563 6.332 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4OC)ncnc32)cc1 1447752 ZJBHBXWUEDWUGA-UHFFFAOYSA-N 436.515 6.238 0 40 IKAB O=c1c2cc(-c3ccccc3)sc2nc(SCc2ccc(F)cc2)n1-c1ccccc1 2180910 OCMLVKJDIWBFJZ-UHFFFAOYSA-N 444.556 6.546 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)Nc4ccccc4)c23)CO1 2228782 SYNCEUYXPQNKEY-NRFANRHFSA-N 445.635 5.385 0 40 IKAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccc(OCc2ccccc2)cc1 3087402 DVYZPXRWPGYQJU-KGENOOAVSA-N 434.289 5.373 0 40 IKAB Cc1c(-c2ncc(C(F)(F)F)cc2Cl)c2ccccc2n1Cc1ccc(Cl)cc1 3105923 YUMLBSNCKFVAHU-UHFFFAOYSA-N 435.276 7.386 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)nc1C 3168702 KWVUPHIRLKJFHK-UHFFFAOYSA-N 434.439 5.566 0 40 IKAB O=C(Nc1ccccc1OC(F)F)c1cc(-c2cccc3ccccc23)nc2ccccc12 3235489 KFBCKCZHFSNZFA-UHFFFAOYSA-N 440.449 6.909 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COc1ncnc2scc(-c3ccccc3)c12 3337502 NAOSOHCXFHGKFR-UHFFFAOYSA-N 445.588 6.623 0 40 IKAB O=C(/C=C/c1cccs1)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 3353817 GZGSVMYDJOEFKT-VOTSOKGWSA-N 428.391 5.851 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)N(CC)c2ccccc2)s1 3556747 BTKLOTJOKWKQME-HNNXBMFYSA-N 428.583 5.214 0 40 IKAB COc1ccccc1N1CCN(CC[C@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 3941064 GXVHRYDXBSTHCF-NDEPHWFRSA-N 434.624 5.315 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2cccc(C(=O)Oc3ccc(C(C)(C)C)cc3)n2)cc1 6075452 HLVCHSDHYYQNKJ-UHFFFAOYSA-N 431.532 6.115 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1C 7929228 DGVYPTAWYAMDBX-NRFANRHFSA-N 427.544 5.588 0 40 IKAB CC1=C(CC[C@@H](C)NCc2ccc(OCCCN3CCCCC3)cc2)C(C)(C)CCC1 8612749 UWMLOMPZZDUFEY-XMMPIXPASA-N 426.689 6.726 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 8740234 KXNHVBYBRRJLMT-BYNJWEBRSA-N 441.527 6.693 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(c1ccccn1)C3=O 8827480 ZPUYSDFEWPWSAY-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB O=C(NCCCc1nc2ccccc2n1CCCOc1ccccc1Cl)c1ccco1 8828218 LCRHTWDMHYPPFI-UHFFFAOYSA-N 437.927 5.114 0 40 IKAB Cc1cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)ccc1Cl 8828286 KNZHGYBNKNVNFQ-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 8831046 AHFXZPCLVNUBSZ-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 8915802 HWYDTOBBZGHFRJ-KRWDZBQOSA-N 449.913 5.406 0 40 IKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 9272573 FNPYUOROCPGESM-DKDYRQSZSA-N 444.578 7.437 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c1 9291528 CZBDGCAQGMLOPG-FGZHOGPDSA-N 448.313 5.193 0 40 IKAB COc1ccc(CC(=O)Nc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 9464565 WHSOXADOUWPBMJ-UHFFFAOYSA-N 443.528 5.252 0 40 IKAB Cc1cccc(-c2nnc(SCc3cccc(Br)c3)n2Cc2ccco2)c1 9478655 FTVCVNAFNQXGNQ-UHFFFAOYSA-N 440.366 5.950 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1Cc1ccccc1 9684899 CGPUUJOWVSHIBW-UHFFFAOYSA-N 446.576 5.623 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-n1cccc1 9707885 QUXCAMVMTYDGAQ-UHFFFAOYSA-N 437.956 5.059 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nc(-c3ccccc3Cl)no2)n1C1CC1 9799378 SLDLVYKTOFCAIL-UHFFFAOYSA-N 427.892 5.415 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)c2ccccc2)cc1Cl 10119186 JEMXZHICGPLNKA-MRXNPFEDSA-N 432.907 5.328 0 40 IKAB Cc1nn(-c2ccccc2)c2[nH]cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)c12 10166776 HRGYGJFWABKOTF-UHFFFAOYSA-N 436.471 5.067 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1c(Cl)cccc1Cl)S(C)(=O)=O 10329253 XMPOYZQQPKMWDH-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccc(NC(=O)c2cccs2)cc1 11181943 XANMJJXEDLPJNA-UHFFFAOYSA-N 431.473 5.098 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1OC 12193407 BPXVUADICNNCFX-YIXXDRMTSA-N 428.532 6.070 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@@H](C)C(=O)Nc3ccc(Cl)cn3)nc2c1 12546791 QAEVGOMLIUABFN-HNNXBMFYSA-N 449.963 6.078 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 12629783 IHYHASZHSBSUCG-ACSYHNTCSA-N 432.567 7.350 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 13120786 NMQGDKZBJPXZCS-XMMPIXPASA-N 446.938 5.561 0 40 IKAB O=c1[nH]c(/C(Cl)=C/c2cccc(Br)c2)nc2scc(-c3cccs3)c12 13138215 ICGVYWSSJFCAIN-JYRVWZFOSA-N 449.782 6.213 0 40 IKAB Cc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c(C)c1 13425584 HHCLWGWGIHWMPD-KGENOOAVSA-N 436.433 5.962 0 40 IKAB Nc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)sc2nc3cc4c(cc3cc12)CCC4 13564168 JWEHMEFPKMFCPU-UHFFFAOYSA-N 442.588 5.763 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 13801512 OVDRZWZANJLRSP-ZHZULCJRSA-N 439.433 6.607 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(Br)cc3)OC2=O)cc1 13924338 RBHFQQRJERYUJW-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3n2)cc1 14272708 HELYWFZRLWMAQW-UHFFFAOYSA-N 448.954 5.579 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C)n2)cc1Br 15322876 WPMHPUQVVNYJDT-UHFFFAOYSA-N 447.354 5.216 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 15947752 DCTIIEMDZAIMCY-WLRWDXFRSA-N 443.366 6.324 0 40 IKAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C(c1ccccc1)c1ccccc1 16477727 MPTWPVDPLPVHRM-UHFFFAOYSA-N 429.589 5.777 0 40 IKAB CCOc1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(Br)cc2)cc1 16768870 JBNFVDURNTYNKZ-UHFFFAOYSA-N 429.358 5.510 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19525537 AKLOSOBGOJFDQL-OAQYLSRUSA-N 436.531 5.136 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)Cc4ccccc4)cc3)nc2c1 19638879 ODIQAYZSIGTKMM-QGZVFWFLSA-N 443.572 6.064 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19642558 SLVWYKRSKVEKHR-UHFFFAOYSA-N 444.943 6.787 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccc4c(c3)ncn4C)cc2)O[C@@H](C(C)C)C1 19711867 ACFFTCWDXPZSFD-RCXJIHSJSA-N 448.611 5.412 0 40 IKAB O=C(C[C@@H]1c2ccccc2Sc2ccc(Cl)cc21)NCCc1c[nH]c2ccccc12 20436623 IHSOKIWXUDCYHL-HXUWFJFHSA-N 432.976 6.167 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 20492124 VELLKGLAWSPQFW-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3C)no2)cc1 21524710 FXJKDZBVZZZCDR-UHFFFAOYSA-N 429.476 5.128 0 40 IKAB COc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3c2=O)cc1 22499142 GCVZSVTTYBIGQW-UHFFFAOYSA-N 448.910 5.309 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 27792789 LRDNXNYHYKVNAY-OAQYLSRUSA-N 425.532 5.176 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 35361116 XDVHIXRJLWUKRR-KCVJTSCTSA-N 440.624 6.136 0 40 IKAB biogenic Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccccc1Cl 35400644 REVMBVVIMYBSOQ-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB Cc1nn(C)c2nc(-c3cccs3)cc(C(=O)N3CCC(Cc4ccccc4)CC3)c12 36615863 XLEFPYOQUOBBPP-UHFFFAOYSA-N 430.577 5.100 0 40 IKAB Cc1cccn2c(NC(=O)c3ccc(Cl)c(N4CCCC4=O)c3)c(-c3ccccc3)nc12 45438901 UQHBDUPFKIPSBS-UHFFFAOYSA-N 444.922 5.342 0 40 IKAB COc1cn(-c2cccc(C(F)(F)F)c2)nc1C(=O)N(C)c1ccc2ccccc2c1 58380470 ZVAMFMSRGWQEFG-UHFFFAOYSA-N 425.410 5.330 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)NC[C@@H](c2ccco2)N2CCCCC2)cs1 70019600 HKXWVYDPBHOGIP-FQEVSTJZSA-N 441.622 5.294 0 40 IKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 71288423 CYHSNYICSNZZRB-HOYKHHGWSA-N 447.579 5.325 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217280 IHSFZHHMFZMKTP-QFIPXVFZSA-N 430.639 5.731 0 40 IKAB O=C(Cc1ccccc1Br)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197546 DAYASZHJSMMPCO-UHFFFAOYSA-N 446.370 5.079 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1OC 102429886 BKWADWSUHRLCSF-JOCHJYFZSA-N 448.548 5.259 0 40 IKAB Clc1ncn(C23C[C@@H]4C[C@H](CC(c5nnc(C67CC8CC(CC(C8)C6)C7)o5)(C4)C2)C3)n1 102572266 USMACBIOJNEQKM-KOJDHNSCSA-N 439.991 5.029 0 40 IKAB O=C(c1ccccc1)C1CCN(C(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)CC1 102692664 IIQHVJZJUYLTDL-RDNZODCXSA-N 444.413 5.232 0 40 IKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@H](c4ccc(OC)cc4)CC3=Nc3onc(C)c32)cc1 102734306 VACQXHYEZVDZLT-WZONZLPQSA-N 444.487 5.386 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(C)cc1 102794849 CXLDHSSULMVOMU-KPURRNSFSA-N 436.555 6.955 0 40 IKAB Clc1ccccc1[C@H](c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1 104339811 YPVBRRIAPQVVGJ-HKBQPEDESA-N 445.005 8.507 0 40 IKAB O=C(O)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 107714546 RQGAKSRLOPQPOL-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB CCC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118912928 CCORPVHYPHHRKB-UOQJMCGXSA-N 442.728 8.350 0 40 IKAB CC[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 223093471 AVJPQAPJTQNDOY-HHHXNRCGSA-N 445.628 6.618 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 223398572 QYEJZEZWQODPKL-DNQXCXABSA-N 443.597 5.999 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)cc2C)cc1 223532943 OXMUSGBVPXIVSL-OYADDEIPSA-N 434.561 5.022 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 223716452 JEDCMCPBSAFOKV-HXUWFJFHSA-N 448.994 5.415 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223895572 OHWAMAPPYPRBCX-HXUWFJFHSA-N 438.587 5.358 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)ccc1Br 223976327 ADZKUBPKJMDDLV-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c1 224295043 RRZJQQUURUQCID-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc2ccccc2c1 224641294 BYMRRHMHGYHFGO-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(F)cc3)o2)c(OC)c1 224938896 QUZWYQAAENDVQY-UHFFFAOYSA-N 432.451 5.095 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 225546865 FVTSPCZFBQAJOT-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OC)c1 225844561 MVZGJUKGCQIFCD-LJQANCHMSA-N 435.605 5.847 0 40 IKAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2c3ccc(Br)cc3C[C@H]2C)n1 225916021 GGYQDSTZQAFORA-OAHLLOKOSA-N 437.341 5.191 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(Oc3ccccc3)n2)cc1 225944580 PVWSWXWGZKUMNZ-UHFFFAOYSA-N 442.544 5.856 0 40 IKAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 226769541 KLIGHEUOLTXBKP-UHFFFAOYSA-N 428.257 5.292 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@]3(CC2)CN(c2ccc(F)cc2)C(=O)O3)c2ccccc12 257255599 KIDOIQPHIBZDHU-AREMUKBSSA-N 448.494 5.009 0 40 IKAB O=C(c1cccs1)N1C[C@@H]2CCCCN(C(=O)c3ccccc3-c3ccccc3)[C@@H]2C1 257272911 NEJDKVHYLQDSNL-NZQKXSOJSA-N 430.573 5.182 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257334790 YHKFHGIAJYLCTA-SFHVURJKSA-N 449.457 5.218 0 40 IKAB O=C(COc1ccc(CNc2ccccc2)cc1Cl)Nc1ccc(Cl)c(Cl)c1 408559370 ZKQBWXDXXMTSRZ-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Br)c1OCc1ccccc1 408614192 ZOUBGSGSHOTOKN-UHFFFAOYSA-N 442.309 5.347 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc1OCC 408713997 GBVQPXGTGOPIDG-UHFFFAOYSA-N 437.540 5.104 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1OC 408819264 YWHPFAFSDXMSOG-PUSCBPJZSA-N 437.585 5.758 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 409105037 HZBQVOICXVIDGF-UHFFFAOYSA-N 437.952 5.767 0 40 IKAB Cc1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1C 409109895 NNADDCYLBOKQFU-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)COc3ccccc3)sc3c2CCCC3)cc1C 409113863 GCOVNNJAWXXVKG-UHFFFAOYSA-N 434.561 5.514 0 40 IKAB CCOc1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 409177898 CYKNVZSCHBYJGP-UHFFFAOYSA-N 427.294 5.646 0 40 IKAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 409181558 DDFDTUBKVCDFGK-UHFFFAOYSA-N 437.879 5.014 0 40 IKAB O=C(CCC(=O)c1ccc(F)cc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 409202489 SYWRPZYYQGDXOV-UHFFFAOYSA-N 430.504 6.218 0 40 IKAB O=C1N/C(=C/c2cccc(OCc3cccc4ccccc34)c2)C(=O)N1Cc1ccccc1 409207759 ZMKOBCWEOKBNLA-YZSQISJMSA-N 434.495 5.512 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 409229895 ATWLQXIANMPSTQ-ODLFYWEKSA-N 427.287 5.655 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)cc1Cl 409411292 WADTUEHMXIILGW-QFIPXVFZSA-N 426.925 5.268 0 40 IKAB CCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3cccc(OC)c3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264488 DRFJFAZNQWARBR-GRSYGWAWSA-N 440.536 5.045 0 40 IKAB COc1ccc([C@H]2C[C@@](C)(NC(=O)Cc3ccccc3)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1OC 2037844730 ZZMUOFKYFWUCEK-WPVUXZDTSA-N 437.580 5.088 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccs3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 884658 XBOPWAOPBFPDTD-UHFFFAOYSA-N 447.629 5.283 0 40 IKAB O=C(O)[C@@H](Cc1ccccc1)Nc1nc(Cc2ccccc2)nc2sc3c(c12)CCCC3 1306097 BBAVKGJFFHPYOL-HXUWFJFHSA-N 443.572 5.269 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3cc4c(cc3cc2C)CCC4)ccc1C 1339950 ONPSZLOJTFWMJB-UHFFFAOYSA-N 433.577 5.420 0 40 IKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)ccc2o1 1414893 WKPNUZCRTLOILP-UHFFFAOYSA-N 428.875 6.969 0 40 IKAB O=C(Nc1ccc(Br)cc1)Oc1ccccc1C(=O)OCc1ccccc1 1739110 PAMJTAQXUNWENQ-UHFFFAOYSA-N 426.266 5.417 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3ccc(Cl)cc3)coc2cc1OC(=O)C(C)(C)C 1771668 CAPBFWMCFTURFH-UHFFFAOYSA-N 440.967 7.188 0 40 IKAB Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1 1826641 ABEJQYXLEFPUBW-LJQANCHMSA-N 442.650 5.991 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 2074072 JLCHKRSIPXYHJM-UHFFFAOYSA-N 449.963 6.080 0 40 IKAB COc1ccc(-c2cc(C(=O)Oc3ccc(Cl)cc3Cl)c3cc(C)ccc3n2)cc1 2078921 XTQXYAWPBJGSHB-UHFFFAOYSA-N 438.310 6.745 0 40 IKAB O=S1(=O)c2ccccc2N[C@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 2179265 ZUEJOKPKJCCXHB-SANMLTNESA-N 442.540 5.794 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 2388090 WZYIZVNEHGVWOK-QGZVFWFLSA-N 442.563 6.159 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 2594221 USVVBVPSCLJFMQ-UHFFFAOYSA-N 449.542 5.730 0 40 IKAB O=C(CSc1cccc2cccc(Cl)c12)Nc1ccc(Cl)c(C(F)(F)F)c1 2653242 IBNJSVSOUYTPHX-UHFFFAOYSA-N 430.278 6.896 0 40 IKAB Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 2690584 GVVAHQCGYGOVRH-UHFFFAOYSA-N 429.426 5.301 0 40 IKAB O=C(NC1(C(Cl)(Cl)Cl)Oc2cc(Cl)c(Cl)cc2O1)c1ccccc1F 3175443 OUYXMFSSQNDBJL-UHFFFAOYSA-N 445.488 5.358 0 40 IKAB O=C1OC(c2cccs2)=N/C1=C/c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3216921 QFKPKPPKACJYQD-PTGBLXJZSA-N 446.531 6.704 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)C2(c3cccc(F)c3)CCCC2)c2ccc(C)cc2)cc1 3362870 GQFCITGASPUEOJ-SANMLTNESA-N 430.519 6.422 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 4811569 RJJBNZOLYQZPJQ-JZUWRPCTSA-N 429.541 5.825 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 6599753 XTCMTLGCLKRNRS-UHFFFAOYSA-N 429.925 5.969 0 40 IKAB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@H](c3ccc(OC)cc3)C2)cc1 7059310 XTGXWOPQPIPISG-RAXRNYJGSA-N 444.575 5.598 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cccc(C)c3)ccc2Cl)cc1 8685527 RDEHRQRFPZWBGU-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@@H]1[C@H]2C(=O)O[C@@H]3C[C@H]1C[C@H]23 8715681 QBBBQKLXRHRJKQ-ODJGSJHLSA-N 425.484 5.282 0 40 IKAB CCOc1ccccc1Nc1nnc(SCc2nnc(-c3ccc(OC)cc3)o2)s1 8725893 HYSITZBVSXFOTC-UHFFFAOYSA-N 441.538 5.031 0 40 IKAB S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(Cc2ccccc2)n1-c1ccccc1 8815711 YZOMUNVLYWOKIS-QHCPKHFHSA-N 426.589 5.441 0 40 IKAB CC1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 8831484 RHHFIKBMCDVRSO-VQHVLOKHSA-N 448.419 5.756 0 40 IKAB CN(C(=S)Nc1cccc(C(F)(F)F)c1)[C@H]1c2c(ccc3ccccc23)OC[C@H]1CO 8855486 VKQHJJIKSPAOQL-QVKFZJNVSA-N 446.494 5.229 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8915469 OYXBTXKXOMIFEV-SFHVURJKSA-N 428.743 5.233 0 40 IKAB CN1C(=O)c2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2Oc2ccccc21 8961019 VMDWRYLKAYZZOL-UHFFFAOYSA-N 436.533 5.167 0 40 IKAB Cc1c(CC(=O)Nc2nccs2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 9184060 KDPZXZIUHZJBJO-UHFFFAOYSA-N 430.485 5.461 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1F 9245182 RCWYPRTUSXFDTD-UHFFFAOYSA-N 434.901 5.727 0 40 IKAB Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@@H]3c1ccccc1 9356565 ILIQKOIBOWSXGS-QHCPKHFHSA-N 442.478 5.936 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1cc(=O)c2ccccc2o1 9368005 GUYXSFGRAGFRAZ-UHFFFAOYSA-N 438.266 5.583 0 40 IKAB O=C(NCCCCCc1nc(-c2cccs2)no1)C(c1ccccc1)c1ccccc1 9503997 UOAZODCTLOCJGT-UHFFFAOYSA-N 431.561 5.459 0 40 IKAB COc1ccc(SCC(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 10219185 KWHYALQQFXRKOY-UHFFFAOYSA-N 431.391 5.918 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 10329170 XAXBVCODRDKQNN-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc2c(c1)OCCCO2 11287967 CDAZLTLEBVCWKZ-OAQYLSRUSA-N 442.987 5.402 0 40 IKAB Cc1ccc(N=[P@@](c2c(C)nn(-c3ccccc3)c2C)(N(C)C)C(C)(C)C)cc1Cl 12559148 GTPVJSSXTJYDLG-PMERELPUSA-N 442.975 6.884 0 40 IKAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 13126896 ZQUSNIGLEBXRDS-VWLOTQADSA-N 438.531 5.310 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)c1nnc(-c2ccccc2)o1 13148681 AXYZNWWKHQMGPT-NSHDSACASA-N 449.483 6.204 0 40 IKAB Cc1sc2nc(C3CCCCC3)nc(SCC(=O)c3c[nH]c4ccccc34)c2c1C 13499938 XFMKTOGDTWEQLB-UHFFFAOYSA-N 435.618 6.812 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)cc3nc2Cl)C(=O)c2cccs2)cc1 13566058 SYLICRAEIASRPQ-UHFFFAOYSA-N 436.964 6.109 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccc(Cl)cc3)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13659968 IALCMYRUMJFLJJ-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CSc1nc(NCCC(C)C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13759076 WHULKGLNKYWVIT-UHFFFAOYSA-N 434.634 6.575 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccc(C(=O)c2ccccc2)cc1)c1ccsc1 14084332 MAXAJBACGFJOAJ-UHFFFAOYSA-N 433.916 6.677 0 40 IKAB CCCCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(F)cc2)cc1 14135628 YLNPRSHJNINENF-UHFFFAOYSA-N 446.588 5.130 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(Cl)cc2NC(=O)c2cccc3ccccc23)CC1 14291102 NMMHIFGVMSMDHM-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB CCOc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccc(F)cc1 16688506 VPPUWWYTRLUXEJ-UHFFFAOYSA-N 445.332 5.251 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)sc2c1 17096243 XOBLSFFNGDMQTP-UHFFFAOYSA-N 428.944 7.331 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 17096969 QHXFGFSCTQKCOF-UHFFFAOYSA-N 430.508 5.122 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3cccc(Cl)c3)c2)cc1 20038979 OSOALYWGKZGIMR-UHFFFAOYSA-N 441.980 5.810 0 40 IKAB CC(C)C[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 20112524 PBNWTYHBSFHOKQ-QFIPXVFZSA-N 449.016 5.032 0 40 IKAB Cc1cccc(-c2c(C(=O)Nc3ccccc3C)c(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 22388145 UZRCLDRANBWGND-QGZVFWFLSA-N 440.612 7.266 0 40 IKAB CCOc1ccc(-c2nsc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1OC 28286758 SDMSSRNGAOUCGN-UHFFFAOYSA-N 441.553 5.062 0 40 IKAB Cc1cc(OCC(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)cc(C)c1Cl 28289640 JEELOQFSGKFPDE-UHFFFAOYSA-N 433.310 5.757 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(C)cc3)n2)cc1 28291939 JWXDLPPTWQWUEX-UHFFFAOYSA-N 428.355 5.401 0 40 IKAB CCC(CC)(Cc1nc2ccccc2s1)C(=O)NCc1cccc(NC(=O)C2CC2)c1 31652901 USCUONZVCDWGTM-UHFFFAOYSA-N 435.593 5.310 0 40 IKAB COc1ccccc1[C@@H]1CC(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)=NN1C(C)=O 32815384 HPNAHHDNYJLMNP-SANMLTNESA-N 449.554 6.225 0 40 IKAB Cn1c(SCc2c(F)cccc2Cl)nc2c(sc(=S)n2-c2ccccc2)c1=O 32952555 BHUQNPFBAQERQO-UHFFFAOYSA-N 449.985 5.600 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 32960753 HFSVBSUSMZAHSZ-NRFANRHFSA-N 433.533 5.457 0 40 IKAB O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccc(Cl)cc1 33721916 XISYJGXTXQNBQT-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB Cc1nn2cc(-c3cc(Cl)ccc3Cl)cc2c2c(C)n(C3CCCCC3)c(C)c12 33783326 ZYYFVWDYAJSUQS-UHFFFAOYSA-N 426.391 7.693 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1)c1cc(F)ccc1n2Cc1ccc(F)cc1Cl 35400320 MEKRHCDMPKMLMI-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB Nc1ccc(C(=O)OCCCCCCCCCCCCOC(=O)c2ccc(N)cc2)cc1 35586043 HXYCSSUNIKOHMI-UHFFFAOYSA-N 440.584 5.766 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(Br)c1 44837125 QQXJMDQTEYEKID-UHFFFAOYSA-N 445.184 5.749 0 40 IKAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N1CCN(c2cccc(Cl)c2)CC1 44845094 DVTWRAFLLDMMLD-UHFFFAOYSA-N 445.994 5.255 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N([C@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 51364641 BAKFGHKRERNNBA-QBOMHBFWSA-N 433.788 5.214 0 40 IKAB CC(C)c1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 58170519 MDOCNGHVYVKMOT-RUZDIDTESA-N 447.604 5.081 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(Cl)cc1 59472360 KYQDSAOACTVFJR-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB O=c1oc2ccc(Br)cc2c(-c2ccccc2Cl)c1-c1ccccc1Cl 64219948 XYIYDIRQAYWRJH-UHFFFAOYSA-N 446.127 7.196 0 40 IKAB Cc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(F)cc23)ccc1Br 64471983 BUXCWCQTKVJGES-UHFFFAOYSA-N 428.305 5.424 0 40 IKAB COc1ccc(C(=O)COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)cc1 96222550 LNWYFQAXMIIXDZ-UHFFFAOYSA-N 448.471 5.396 0 40 IKAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)cc1Cl 98072738 ARJAVHBFBSPZAZ-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccc(C(C)C)cc4)C3=C(O)C2)c(OC)c1 102665274 QPJUJBIYVDBKKG-IQGLISFBSA-N 444.535 5.484 0 40 IKAB COc1ccccc1C(=O)N1c2ccccc2N=C2C[C@H](C)CC(O)=C2[C@@H]1c1ccco1 102680529 AHAKRYMTYTYSOB-LMKMVOKYSA-N 428.488 6.004 0 40 IKAB CCc1ccc(/C=C2\SC(=O)N(Cc3ccc(I)cc3)C2=O)cc1 106757997 NILSAZFJEBUMSK-BOPFTXTBSA-N 449.313 5.090 0 40 IKAB CC(C)c1ccc(NC(=O)CCCN(c2cccc(C(F)(F)F)c2)S(C)(=O)=O)cc1 113962870 ACJUMBOZFRHIFS-UHFFFAOYSA-N 442.503 5.014 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930068 PGRKJDDEUNIWAZ-GCIPZGPYSA-N 431.661 6.993 0 40 IKAB CC(=O)O/C=C(\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 123210543 XMNVJWVQDFNIJF-XICFCEDCSA-N 430.585 5.223 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C2=O)c1 214593267 FUZPYUWCDDOATM-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 216297730 MGXSQUJYWZKXIO-ZDUSSCGKSA-N 430.422 5.532 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 222713810 UCMDXYYSHYYMSJ-PUCZYUMASA-N 444.387 6.628 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222865515 IPWLOVRNAGOPOE-LJQANCHMSA-N 444.616 5.008 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 223180809 MXUCHGMEJSIZDS-IBGZPJMESA-N 445.003 5.176 0 40 IKAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394811 SGIJWFQLIICUMN-DNQXCXABSA-N 428.536 5.184 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NCC(C)C)cc1 224203970 KTYGWSNZMOFXMV-JOCHJYFZSA-N 430.592 5.270 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224528539 AWLSDUBMKSEAEN-JWQCQUIFSA-N 446.620 5.801 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)C 224570127 PBOJQSYEIIRURU-UHFFFAOYSA-N 447.531 5.446 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225103419 WHYTYYQPMKIVCC-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225239342 YWSFJKNXDUWACW-UXHICEINSA-N 426.576 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225338525 RSHFOTPTOZVCMQ-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2)cc1 225510364 GFUOKEXJNYMETA-HXUWFJFHSA-N 445.813 6.487 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225652013 GAMGZEYZJKKICL-SANMLTNESA-N 432.649 5.892 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc(C(F)(F)F)c1 225819303 VTOFUHKRQFGDCF-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB COC(=O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OC)c1 226336738 ZAQICBINNZAVHA-ZZXKWVIFSA-N 429.669 5.015 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)C1)C1(c2ccc(Cl)cc2)CCOCC1 257249252 JHMKIXYFWDRUCF-NRFANRHFSA-N 448.994 5.418 0 40 IKAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 408558639 JWIRXDJQCPHRST-UHFFFAOYSA-N 428.535 5.207 0 40 IKAB COc1ccc(/C=C(/C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2)cc1 408562672 FDCOSWIAHJNMKR-NSTDMNLHSA-N 438.571 5.093 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408662034 MJZBFTYPADWWON-LJQANCHMSA-N 447.962 5.933 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Br)cc2)cc1 408679198 VISXFKQDPLSUNI-UHFFFAOYSA-N 433.305 5.499 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Cl)cc2)cc1 408697573 HYSHPELYXFLXMU-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)c(C)c1 408697883 MGKDNPMINUNFDP-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408907759 QUVYUQHPBWIUMQ-NCELDCMTSA-N 425.915 7.312 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccccc1F 409114219 DRHUPOSBLRWERF-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB CCCN1C(=O)/C(=C\c2cc(Br)c(O)c(Br)c2)c2ccccc21 409118834 OOYGBCSIKQWJTF-JYRVWZFOSA-N 437.131 5.214 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2)cc1 409121248 XKRUWKUBILTUPR-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB Clc1ccccc1COc1ccc(Br)cc1CNc1ccccc1Cl 409177737 GTZXVMUEJPKRPK-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 627559 QKLUKMGTPWHKOV-KGLIPLIRSA-N 435.307 5.075 0 40 IKAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 714955 JCFCWGCVDGABCZ-NVXWUHKLSA-N 436.821 5.155 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 835342 VEISKPCJTNKVCQ-UHFFFAOYSA-N 430.529 5.058 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 918304 OOQHCHRXDFMUNN-LBPRGKRZSA-N 444.388 5.129 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccc(OCc2ccccc2)cc1 1835884 GQXJLBJWMSZAJM-FBHDLOMBSA-N 425.818 5.542 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 2128648 KQIKRXJQNIQZPJ-UHFFFAOYSA-N 449.963 5.961 0 40 IKAB C[C@H](Cc1ccccc1)NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 2249538 JCYWTLINEZPBDK-UTKZUKDTSA-N 438.365 5.424 0 40 IKAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2290244 XXUMMVGBJATEPI-UHFFFAOYSA-N 431.858 5.201 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1nncs1)C3=O 2377802 VRWAZTHOSRSSMK-INIZCTEOSA-N 444.299 5.010 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 2741888 CKIOQCCIDMODTH-SHRNQRGKSA-N 439.621 6.388 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)cc2)cc1 2742641 SMFVERULOOBXSE-PMACEKPBSA-N 428.576 7.218 0 40 IKAB CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@H]2C)cc1 2743034 LMZAHBRNVSYUPS-AMGIVPHBSA-N 426.604 7.238 0 40 IKAB C[C@@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 3192529 BTXOXBKUDJGJGP-LLVKDONJSA-N 425.362 5.365 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 4122487 QPIINSSMCRCHQO-UHFFFAOYSA-N 444.560 5.623 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 5675226 UDIFSLUTFKRNHF-GOSISDBHSA-N 429.992 5.013 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(CN2CCCC2)n1-c1ccccc1 8725973 OGMPFPCJFSIQOP-GOSISDBHSA-N 445.592 5.016 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8752462 ZIFFVNGNSOSDAE-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1 8831410 KBMGFJUIYPBMPP-UHFFFAOYSA-N 441.940 5.321 0 40 IKAB COc1c(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc2ccccc2c1Br 8832397 RTOGEBKGWRLTOC-ZJRYTYELSA-N 442.397 5.946 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 9191638 VRSWQZYJKHVRPE-IBGZPJMESA-N 445.950 5.657 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCCC2)cc1 9204252 ISVUCMPASVYGFN-OAQYLSRUSA-N 426.944 5.279 0 40 IKAB Cn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 9602869 NOQNEENZVHHMSJ-JOCHJYFZSA-N 432.524 5.017 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3ccc(C45CC6CC(CC(C6)C4)C5)cc3C2=O)cc1 9659565 UVTXTNPSQAMDSE-UHFFFAOYSA-N 429.516 5.132 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCc3ccc(F)cc3)ccc21 9762428 CAKQPRWRWSIUGA-UHFFFAOYSA-N 431.511 5.379 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1cc(F)ccc1F 9835077 JKLNONCNFOTWPO-GFCCVEGCSA-N 439.491 5.159 0 40 IKAB Cc1cc(-c2nn3c(COc4ccc(Cl)cc4Cl)nnc3s2)c2ccccc2n1 10312268 ZORSJEURYLXHTK-UHFFFAOYSA-N 442.331 5.595 0 40 IKAB CS(=O)(=O)N(Cc1c(Cl)cccc1Cl)c1ccc(C(=O)Nc2ccccc2)cc1 10336242 HJTMHNMZLHXYSZ-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC(=O)N4)cs2)cc1Cl 11452208 ZCCABSUHQXVGDR-UHFFFAOYSA-N 448.331 5.263 0 40 IKAB O=C(CCc1ccc(-c2ccc(F)cc2)o1)Nc1ncc(Cc2ccc(Cl)cc2)s1 11666865 MEFGIUZBYAWXQP-UHFFFAOYSA-N 440.927 6.358 0 40 IKAB CN(C)C(=O)Oc1cc(OC/C=C/c2ccccc2)c2c(=O)cc(-c3ccccc3)oc2c1 11865301 HWMKPZFOZMPVLV-FMIVXFBMSA-N 441.483 5.613 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)cc1 12193045 SRWOFOQFTSKALH-IRLDBZIGSA-N 439.740 6.345 0 40 IKAB Cc1cc(NC(=O)c2nccnc2-c2nc3ccccc3s2)ccc1Br 12794239 PVZYMJHOXPGUCP-UHFFFAOYSA-N 425.311 5.077 0 40 IKAB CCCCc1noc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccco2)n1 12909272 HJBHHEUNMPPYIM-UHFFFAOYSA-N 429.933 5.258 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13095666 IGTSCZCPQNBVPF-QHCPKHFHSA-N 443.374 6.204 0 40 IKAB Cc1ccccc1OCc1n(CC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 13305173 OHZBSGJYECCCNY-MZEQIWSPSA-N 449.615 5.357 0 40 IKAB COc1ccc(N(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13496054 MPCXMQLVUPEFFT-HSZRJFAPSA-N 434.561 5.204 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3cccc(C)c3)cc2c1 13562051 ZFICXNWOXKKSKE-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccc(Cl)nc3Cl)ccc12 13693362 QGLAOOFGWFPXPP-UHFFFAOYSA-N 425.271 5.926 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@@H](C)Oc1ccccc1 13850079 RGXAQQUIZALWTO-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)c1 14082012 HTAVDAZOAFTFMA-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB Cc1c(-c2ccccc2)sc(NC(=O)c2ccc(Cl)s2)c1C(=O)N1CCOCC1 14389682 LKTRTVFWXYCUKY-UHFFFAOYSA-N 446.981 5.163 0 40 IKAB COc1ccc(CCNCc2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1OC 16227446 RXYXCULQAOGCHI-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1C 17095326 MVZRUIPMEZYHPG-UHFFFAOYSA-N 427.356 7.139 0 40 IKAB C[C@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 17983718 ZYLIZKWIAHXHFL-ZDUSSCGKSA-N 444.582 5.091 0 40 IKAB O=c1ccccc2c(/C=C/c3cccc(C(F)(F)F)c3)nn(-c3ccc(Cl)cc3)c12 19909729 NPEPRBJIKPTLTB-MDWZMJQESA-N 426.825 6.228 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc(Cl)cc3Cl)sc2c1 20411844 HINWXPBDIZDHQD-UHFFFAOYSA-N 439.320 5.186 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(CN2CCCc3ccccc32)cc1 20459422 TYEAOPHVCPAXRN-UHFFFAOYSA-N 444.884 6.564 0 40 IKAB Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 20460791 WNARWGXYZGOPBZ-HSZRJFAPSA-N 430.400 6.441 0 40 IKAB CCOc1cc(CN[C@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 22074195 RUBVUAIMJXUPEH-QGZVFWFLSA-N 430.375 6.822 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2)c(OCC)c1 22109862 FPOKSAHYXPNXNV-UHFFFAOYSA-N 432.977 5.268 0 40 IKAB O=C(CCSc1ccccc1)N(Cc1ccco1)c1nc2c(F)cc(F)cc2s1 22897679 XCMIAALWOFLBFX-UHFFFAOYSA-N 430.501 5.883 0 40 IKAB Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c3ccccc3)cc2)cs1 29009328 BCNYBWQNBLDWDW-HOTGVXAUSA-N 440.590 5.167 0 40 IKAB CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccc(C(F)(F)F)cc3)sc2C)s1 30157394 ZPCKNTISIMNMGU-UHFFFAOYSA-N 439.484 5.087 0 40 IKAB O=C(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1ccc(Br)cc1 32609989 VNPLKBNDKFOPRC-UHFFFAOYSA-N 425.113 5.253 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@H]2CCCC[C@H]12 36276140 OCBGRIQTTYHAGA-DONWEKBKSA-N 436.478 5.177 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2ccc(OC(F)(F)F)cc2)cc1 44088018 XGDCRBJXFNWYLW-UHFFFAOYSA-N 449.498 5.363 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2cccc(Br)c2)cc1 67197136 FJLCOAMSRPOSOM-FYYLOGMGSA-N 435.321 5.700 0 40 IKAB O=C(c1cccnc1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349132 SGNVZSVXZRVERU-LJQANCHMSA-N 425.454 5.106 0 40 IKAB CN(C)CCN(C(=O)c1c[nH]c2ccccc12)c1nc2c(C(F)(F)F)cccc2s1 77099354 AURMRSFOBSJSHF-UHFFFAOYSA-N 432.471 5.005 0 40 IKAB Cc1csc(SCc2ccc(C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)cc2)n1 78960113 OYINQKFJPCODSH-UHFFFAOYSA-N 443.619 5.608 0 40 IKAB O=C(Nc1ccc(-c2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100499928 LBIJPBFILQNBGT-ZJZGAYNASA-N 428.576 6.103 0 40 IKAB O=C1[C@@H]2C(c3ccccc3)(c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 100807797 AEVLUTIKJJHCAL-VAVYLYDRSA-N 449.937 5.767 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 102676546 KVALJVQIKPOBBW-CYIFHIJBSA-N 447.531 5.964 0 40 IKAB COc1ccc(N2C(=O)/C(=C/c3ccco3)N=C2SCc2c(C)noc2C)cc1Cl 104366494 VUQLGFJOESSWHW-ZDLGFXPLSA-N 443.912 5.224 0 40 IKAB C[C@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(F)cc1 113958910 FOROABYTDVLMHS-NRFANRHFSA-N 430.567 5.771 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207017505 BHMZTIZWJDOBPU-ZDUSSCGKSA-N 436.459 5.304 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222856209 CTZCWUVLHPWHMF-LJQANCHMSA-N 443.031 5.728 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223074893 VTGLLHBJRFKAQJ-UHFFFAOYSA-N 439.342 5.516 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 223079250 VLFVDMPRJGFHHU-SANMLTNESA-N 442.559 5.292 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223404650 OTPKMIZWOVLSHE-HSZRJFAPSA-N 441.358 5.400 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1cccc(C)c1 224383686 YCQFPSLGKNFRTE-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cccc(Cl)c1 224488537 VMMTZVFEMMVGSF-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cc(C)cc(C)c1C 224610325 QBEGVWMRVZAIIH-UHFFFAOYSA-N 441.930 6.634 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 224911005 GOARGOWUSPRKHX-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926599 OFVRBOCKDQMEJH-UHFFFAOYSA-N 426.369 6.419 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@@H](C)c3ccc(F)cc3)n2)cc1 225201575 ISUDRFYRDADNEN-HNNXBMFYSA-N 425.533 5.114 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 225596141 XNMRWHLUFXUFFT-INIZCTEOSA-N 442.968 5.194 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225856522 KXXFWJGAFUMHSV-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB Cc1cc(-n2cccc2)cc2nc(-c3cc(I)ccc3Cl)oc12 226248084 VRCODVPQVBLESL-UHFFFAOYSA-N 434.664 5.852 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c1 252507937 WXTYWUGSUARRFX-UHFFFAOYSA-N 446.576 5.266 0 40 IKAB CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4ccc5ncccc5c4)CC3)C[C@@H]21 257226753 FLYQIENMTLYOHM-WIOPSUGQSA-N 442.559 5.406 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408643244 QUFGRZGDSIZPPK-NRFANRHFSA-N 436.511 5.932 0 40 IKAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670633 YCGQDGMBUNHQAX-SKGAXEKPSA-N 434.322 5.093 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(Sc3ccccc3)o2)C1=O 409018483 WZZDQXJWSJDCLO-HGLKBHAMSA-N 438.368 6.028 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 409106983 PLDSVOJVANVAAX-UHFFFAOYSA-N 435.980 6.203 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N[C@@H]1CCCC[C@H]1C 409158749 YUQDWZCFVSHUTF-UYAOXDASSA-N 444.645 5.096 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 409237967 KOWMSSSOMCXXPO-DEDYPNTBSA-N 434.879 5.025 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 409244636 GQKOQENSLBYYPG-LFVJCYFKSA-N 447.556 6.264 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1cccc(F)c1 585263446 NSCUPORQUGNNQJ-UHFFFAOYSA-N 446.478 5.049 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3cnccc3c2)CC1)C1(Cc2ccccc2)CCOCC1 1848355922 UECFTLMOZMTPMQ-HSZRJFAPSA-N 442.603 5.446 0 40 IKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cc2)sc2nc(-c3ccc(F)cc3)ccc12 661638 MACGEBRDQCGXDH-UHFFFAOYSA-N 431.414 5.956 0 40 IKAB Cn1c(Cc2ccccc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21 877660 IOLPCDVCNMNCAJ-UHFFFAOYSA-N 444.585 5.328 0 40 IKAB O=C(CSc1nc2ccccc2o1)OCC(=O)N1c2ccccc2Sc2ccccc21 1023724 DFLHYWQEAAMUOY-UHFFFAOYSA-N 448.525 5.293 0 40 IKAB O=C(C[C@]1(O)C(=O)N(C/C=C/c2ccccc2)c2ccccc21)c1ccc2c(c1)CCCC2 1076374 SHDQAMIFOJALCO-RZFDLJBBSA-N 437.539 5.086 0 40 IKAB CC[C@@H](NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1)c1ccc(C(C)C)cc1 2112815 KZYDCPKJOZWISE-OAQYLSRUSA-N 446.374 7.170 0 40 IKAB C[C@@H](CNC(=O)c1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 2132945 DTUZAKNXYOTZLL-NRFANRHFSA-N 434.539 5.569 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3\SC(=O)N(Cc4ccccc4)C3=O)o2)cc1Cl 2169882 VJGOGCZSGFETGL-ODLFYWEKSA-N 439.876 5.535 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(Cl)cc4Cl)cs3)c(=O)oc2c1 2200990 MFCPKKFTFOFRRN-UHFFFAOYSA-N 445.371 6.737 0 40 IKAB COc1cc2c(cc1NC(=O)CSc1ncnc3sc(C)c(C)c13)oc1ccccc12 2264940 FEAJEUKCNYMZJR-UHFFFAOYSA-N 449.557 5.947 0 40 IKAB CCCCc1nc2sc3c(NCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2275273 APWBNZANCORQCT-UHFFFAOYSA-N 432.593 6.046 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(c1nc2ccc(F)cc2s1)C3=O 2334455 SKIBWZHMEHWPJA-OAQYLSRUSA-N 442.471 5.600 0 40 IKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCc2ccccc2)c1Cc1ccccc1 2408665 OOMWEHKIVSXLDD-UHFFFAOYSA-N 432.571 6.259 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 2415815 UOGQCQOPXUFDSI-NRFANRHFSA-N 448.906 5.790 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4)cc2-3)cc1 2689423 QEQZKVWORIYYCL-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 2703891 PRKLOAIORZBWOP-NRFANRHFSA-N 446.528 5.405 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2S[C@@H](C)c2ccccc2)cc1 2721833 SKXAGEMYXRQWRI-INIZCTEOSA-N 425.531 5.929 0 40 IKAB CC1=CC(C)(C)N=C(SCC(=O)Nc2cc(Cl)ccc2C)N1c1ccc(C)cc1 3074884 JAGTUDUSIAJVCH-UHFFFAOYSA-N 428.001 6.187 0 40 IKAB CCC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@]1(C(C)C)CCOC(C)(C)C1 4061066 DJQRMWXMCYDMSW-SANMLTNESA-N 431.617 5.751 0 40 IKAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2c(Cl)cccc2Cl)o1 4295458 JHFZUBRZBBYWKQ-AWEZNQCLSA-N 430.357 5.741 0 40 IKAB Cc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2cccc(C)c2C)c1C 5419256 VOPPXEXIDOFVAU-UHFFFAOYSA-N 436.640 7.398 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc([C@H](C)CC)cc2)sc2c1CCCCCC2 5949807 LZNFLLAQQJGKMY-MRXNPFEDSA-N 444.666 6.906 0 40 IKAB Cc1ccc(F)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccnc2)c1 8705894 AVJJISXHMSECRP-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c(C)c1 8810141 QUSWBUYOQGTGJY-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c1C 8922081 CRCUDJUAFFNHAX-MHZLTWQESA-N 447.962 5.581 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c(C)c1 9030825 VSUOZQVRBQBLPX-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2c(C(=O)Nc3ccc(C)cc3)oc3ccccc23)c1 9414309 BDVSMRMVQHDCFZ-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3OC)sc3ccccc3c2=O)cc1OC 9487056 KMPPAEBEIABKIQ-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C)C(=O)c1ccc(Br)cc1 9663176 HOVGPGVAAGJBJT-AWEZNQCLSA-N 430.371 5.015 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 9884636 VXZUIHCNHUAGPP-INIZCTEOSA-N 449.507 5.893 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(Cl)s3)c3cc(Cl)ccc32)cc1 10059187 XLPZTKVVJKOVRL-JOCHJYFZSA-N 446.355 5.371 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)sc2c1 10187622 PZBNYJDSARUQSI-UHFFFAOYSA-N 431.517 5.140 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1 10330065 FHPDANDHBYNHFL-UHFFFAOYSA-N 444.556 5.520 0 40 IKAB O=C(COc1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12376769 XJGPDPIPGIAHTE-UHFFFAOYSA-N 440.286 5.728 0 40 IKAB O=C1CCCCC[C@@H]1Sc1nnc(COc2ccccc2Cl)n1-c1ccccc1 12521872 KRMFXPCIDJEKLY-FQEVSTJZSA-N 427.957 5.494 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 12566700 LCFCXKNPPUAFDP-UHFFFAOYSA-N 447.774 7.164 0 40 IKAB C[C@@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 12678390 PNCNCRGTYRILHV-RHSMWYFYSA-N 438.877 5.088 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12849374 XOILJQPCBYZIHR-WFASDCNBSA-N 426.851 5.511 0 40 IKAB Cc1cc(C(=O)COC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)c(C)n1C1CC1 13015588 AMQLCDUVHZZTGO-AYHJJNSGSA-N 433.639 5.168 0 40 IKAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Nc1cccc(C(F)(F)F)c1 13129050 MUXJEPWRNRZLJA-UHFFFAOYSA-N 440.421 5.195 0 40 IKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@@H]1CC1(Cl)Cl 13137918 HWRWUYBUEWRLEC-LBPRGKRZSA-N 434.820 6.158 0 40 IKAB O=C(CCCn1nc(-c2cccs2)ccc1=O)Nc1ccc(Oc2ccccc2)cc1 13698653 URNJHKMLSFXFCV-UHFFFAOYSA-N 431.517 5.183 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 13775291 BILMXKZALIDYJO-UHFFFAOYSA-N 442.650 5.834 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccc(F)cc3)n2-c2ccc(OCC)cc2)cc1 13807004 CKCYSEJAQHXPFF-RFBIWTDZSA-N 434.536 6.375 0 40 IKAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1Sc1ccccc1)c1ccccc1 13847487 AQSHMDXPYVHJKI-UHFFFAOYSA-N 440.590 5.023 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C2C3CC4CC(C3)CC2C4)cc1 14155817 GDBJVFFCHYTXNP-UHFFFAOYSA-N 444.015 6.891 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)ccc1Cl 14272559 MIVFDAVETJQYQZ-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nc2ccccc2c1=O 15277641 YJPWDGDDVWAZDK-JOCHJYFZSA-N 429.545 5.197 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1cccc(Cl)c1Cl 16492536 JOVIFAZDOLMKBT-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 16742558 MFJCMIHAEBPIPA-HSZRJFAPSA-N 445.902 5.822 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccs2)S1 16754540 ISXHUJBSSGHPKK-GGKDNIRTSA-N 431.542 5.443 0 40 IKAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(C)c3)n2)c1 16846462 CQBMMCJSCNJKDT-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB Cc1cc(C)c(S(=O)(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c(C)c1 16994275 ASPYRRXOWUHOGT-UHFFFAOYSA-N 435.014 5.218 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1Br 17094696 VVUITWVCKRIKIO-UHFFFAOYSA-N 426.097 5.972 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 17095828 QOQRGZOEGIIQAJ-KRWDZBQOSA-N 428.488 5.018 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 17145542 ZKYOHMGJSZXKCN-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19014385 JOEJFBSVOQAJAR-WLVXRYDHSA-N 431.624 5.635 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 20310411 AHQGBTJUQBJWCN-UHELIVMKSA-N 436.592 6.107 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)ccc2Cl)cc1 20493390 MKYXSOITIRFYBI-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(F)cccc1Cl 20494604 CJGOCBIKUJKUID-NRFANRHFSA-N 431.960 5.839 0 40 IKAB Cc1noc(CSc2nc3cc(-c4ccccc4)sc3c(=O)n2Cc2ccccc2)n1 23772090 UHAYEJWDXKXONL-UHFFFAOYSA-N 446.557 5.157 0 40 IKAB c1ccc(Cn2c(SCc3csc(-c4cccs4)n3)nnc2-c2ccco2)cc1 23989447 IPUAIAQPWKPQRP-UHFFFAOYSA-N 436.587 6.064 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(OCc2ccccc2)cc1 27500351 LMLDJXNOVJCPSY-BKUYFWCQSA-N 434.289 5.373 0 40 IKAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3ccc(Cl)cc3)cc21 28049186 XTLMHELKFDMXMN-UHFFFAOYSA-N 429.973 5.208 0 40 IKAB COc1ccc(-c2nc(CSCC(=O)NC34CC5CC(CC(C5)C3)C4)cs2)cc1 31413077 NNSQOOIAYDDIIS-UHFFFAOYSA-N 428.623 5.137 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccccc2C)ccc1NC(=O)c1cc2ccccc2o1 32115426 SNPVHNJLABQDON-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB COc1cccc(Cn2nc(C)c(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C)c1 32610107 GMHAOYSGFHWDBR-HNNXBMFYSA-N 448.350 5.270 0 40 IKAB O=C(NCc1nc2ccccc2s1)c1ccccc1CSc1nc2ccccc2o1 32986085 NBHXSXRRXWUWMA-UHFFFAOYSA-N 431.542 5.660 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1-c1cc2cc(Cl)ccc2o1 33416133 CJJYNNXATKQIII-UHFFFAOYSA-N 430.892 5.235 0 40 IKAB COc1ccccc1N1CCN([C@@H](C(=O)c2c(C)[nH]c3ccccc23)c2ccccc2)CC1 37100533 YJOOUQNKLQYYDY-HHHXNRCGSA-N 439.559 5.231 0 40 IKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nnc(NCCc2cccs2)s1 40018238 ODHGDUITCQUVKA-LBPRGKRZSA-N 439.031 5.335 0 40 IKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 44915932 PICLRXBQJCHWSD-UHFFFAOYSA-N 446.550 5.728 0 40 IKAB CCc1cccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc23)c1 48989345 SWOKYMNADAYYDI-QGZVFWFLSA-N 433.552 5.430 0 40 IKAB CCSc1nnc(NC(=O)c2ccc(OCc3nc(-c4ccco4)cs3)cc2)s1 49032356 GELNUFAXDJWADP-UHFFFAOYSA-N 444.563 5.198 0 40 IKAB O=C(Nc1ccccc1)c1cccc(-n2ccnc2SCC(=O)c2ccccc2Cl)c1 67206715 LUZDUYOEJNSMBU-UHFFFAOYSA-N 447.947 5.753 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 72215559 AGRTYIUMDHUNSA-LJQANCHMSA-N 431.577 5.838 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(Cc5ccccc5C)cc(C)n4)C3)nc2c1 72354195 LFIOLRPGPJQVMK-XMMPIXPASA-N 438.575 5.265 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)cc1 89642584 JLYHPBNNQGJJGX-MRXNPFEDSA-N 443.642 5.414 0 40 IKAB O=C(O)C/C(=C/c1cc2ccccc2nc1N1CCCCC1)c1nc2ccccc2s1 96767476 JXIMATZQGUWMPU-CYVLTUHYSA-N 429.545 5.850 0 40 IKAB CCCC1CCC(C2CCC(C(=O)Oc3ccc(C4CCC(CC)CC4)cc3)CC2)CC1 98073407 SDEIDIYASCTASZ-UHFFFAOYSA-N 438.696 8.689 0 40 IKAB CC[C@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 101034562 UCPJDYCVQGWTTI-RKJPZGCHSA-N 446.502 6.005 0 40 IKAB Cc1cc2c(cc1C)N[C@@H](c1cccc(Oc3ccccc3)c1)C1=C(O)CC(C)(C)CC1=N2 102858303 FHHJRYBHDMQRIE-NDEPHWFRSA-N 438.571 7.967 0 40 IKAB CC(C)(C)c1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)cc(C(C)(C)C)c1O 208842415 LPXQNNJFHKSNME-UYRXBGFRSA-N 425.550 6.346 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 222984251 KKZXXHKKBJROGX-YADHBBJMSA-N 425.985 6.076 0 40 IKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc2c(c1)CCCC2 223084576 WOBWJNVXFMRZKC-AREMUKBSSA-N 433.979 6.679 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 224845238 WRRAZRGBBDYOTR-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C)cc2Cl)cc1 224997357 LWOBLLKYJQIELH-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)s1 225220470 JCDSWNWJHDKKHM-UHFFFAOYSA-N 445.441 5.198 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccccc2Cl)cc1 225607622 SZZNZKRXYSAJSX-UHFFFAOYSA-N 434.030 5.077 0 40 IKAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257313408 USGXOZWCVJOINT-HXUWFJFHSA-N 427.935 5.970 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(Cl)cc3)n2)cc1OC 408546246 DBJIBGLPUGKDBO-UHFFFAOYSA-N 440.874 6.125 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccccc2Br)cc1 408576393 UGTGFKHWQFLNSZ-UHFFFAOYSA-N 436.371 5.278 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1)N1CCCCCC1 408583263 GRZLZDNRIMPCGA-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl 408612341 UZJPKOJZIGYTQA-UHFFFAOYSA-N 440.908 5.448 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)c1 408639353 FUPGZANTFYMKSB-QFIPXVFZSA-N 436.511 5.932 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCN1C(=O)c1cccs1 408998459 LYQYPEFZLNXYQH-FBCSTPJJSA-N 434.605 5.459 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)c(OCC)c3)C(=O)O2)cc1 409009217 ZUEQGCHTTLWFCL-KQWNVCNZSA-N 443.499 5.408 0 40 IKAB Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409026314 LRPAKSDRCVAOBH-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@@H](c1c[nH]c2ccccc12)C1C(=O)OC(C)(C)OC1=O 409112305 CEYBCRVTQXNRAI-KRWDZBQOSA-N 448.302 5.068 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)cc1Cl 409196108 SXSQQHJNYQTMJS-RWEWTDSWSA-N 439.367 6.469 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(I)c3)nc2c1)c1ccccc1 793652 LUADJECYKZFBBR-UHFFFAOYSA-N 440.240 5.352 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(O)cc3)n2-c2ccccc2)cc1 886647 VOTNFDKBVNGMFV-KRWDZBQOSA-N 430.533 5.068 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1Br 907399 IOFBZGAOXSQGMI-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCOc1ccc(-c2nnn([C@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 932061 GVHGYVRAAJDPAU-MRXNPFEDSA-N 443.532 5.129 0 40 IKAB COc1ccc(NC2=C(Sc3ccccc3)C(=O)N(c3cc(C)cc(C)c3)C2=O)cc1 958070 ZWIOQTQCMJFAFE-UHFFFAOYSA-N 430.529 5.301 0 40 IKAB Cc1cccc(C(=O)N(Cc2ccccc2)Cc2cc3cc4c(cc3nc2Cl)OCO4)c1 1367924 WBKZYVXIOAEROT-UHFFFAOYSA-N 444.918 5.768 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@H](C)C3 1375699 NEQZQTKSOQLHJC-NSHDSACASA-N 448.013 5.517 0 40 IKAB COc1cc2c(cc1OC)[C@]1(c3ccc(Cl)cc3)ON=C(c3ccccc3)N1CS2 1631878 SDDVFFLENOCXBC-QHCPKHFHSA-N 438.936 5.316 0 40 IKAB COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccccc3)c2cc1OC 2691908 NZPQRYQFCZOPGA-UHFFFAOYSA-N 429.907 5.922 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1ccccc1F 2692202 MCMYCVBJYANLLO-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2768135 IREMJOXKTUPPGE-UHFFFAOYSA-N 442.153 5.504 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3CCCO3)c3cc(Br)ccc3n2)cc1 2770054 GYQKMXIXNNUOHB-QRQCRPRQSA-N 439.353 5.270 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 3231935 DADKTBRLQFNEMN-UHFFFAOYSA-N 439.924 5.153 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccc(Cl)cc2)n1C1CCCC1)CCCC3 3288189 BHROUIIQWROERW-UHFFFAOYSA-N 431.026 6.398 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1C1CCCC1 3408414 LHTLFJDDWIVOOI-UHFFFAOYSA-N 443.985 6.117 0 40 IKAB Cc1cc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 8758643 VGLSUAXIPZWOBC-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(N(N=O)C2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)cc1 8926035 YFWIPQJBFBQOAF-UHFFFAOYSA-N 432.572 5.899 0 40 IKAB COc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1 8985653 FFDCPNMCVCOXLM-UHFFFAOYSA-N 443.510 6.388 0 40 IKAB Cc1ccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc2c1C 9345468 FCFGIDIFJQALOZ-UHFFFAOYSA-N 426.394 5.244 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1 9414313 BFTYCOSUNXOLRF-UHFFFAOYSA-N 449.304 6.008 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccccc1C(=O)Nc1ccccc1 9549272 FLWPIFYAZCGUKA-KRWDZBQOSA-N 444.560 5.180 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccccc1 9562089 SENRGOMQUQZTRT-UHFFFAOYSA-N 434.952 5.343 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)OCc2nnc(-c3cccs3)o2)n1 9623119 CKXMTSSKKRXFQD-UHFFFAOYSA-N 429.548 5.212 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1 9707721 LIPOFPDKWWPNKB-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2C2CCCC2)cc1 9752393 PJLREKPWEBLNIM-UHFFFAOYSA-N 433.533 5.297 0 40 IKAB C[C@@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2NC1=O 9910272 GMAPZGLJSSGGOE-AWEZNQCLSA-N 427.435 5.013 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc(OCC)c1OCC 10001967 DSPIFZWZCHNGAW-UHFFFAOYSA-N 426.557 5.371 0 40 IKAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccccc2Cl)cc1 10060269 LGEQNMKHTPHGKB-OUKQBFOZSA-N 429.911 5.268 0 40 IKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccccc3-c3ccccc3)c(Cl)c12 10220416 BWIMYLWRMUVJEN-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667346 GVYBZOPFVMTFEF-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1Cc1ccccc1)CCS2 12140516 VSQGTKZPTIHUEG-UHFFFAOYSA-N 434.508 5.251 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(-c3nc4cc(C(=O)OCC)ccc4n3CC)o2)cc1 12546589 UEBCFDZXCBUDJK-UHFFFAOYSA-N 432.476 5.337 0 40 IKAB OCCn1c(CN2CCCC[C@@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc21 12559632 CWHDDMBDIYCBQE-GOSISDBHSA-N 426.973 5.019 0 40 IKAB CCN1/C(=C/C(=S)NC(=O)c2ccc(OC)cc2)C(C)(C)c2c1ccc1ccccc21 12564271 LXNRYVVFRYXIFR-CJLVFECKSA-N 430.573 5.607 0 40 IKAB Clc1cccc(-n2c(SCc3ncc(-c4ccccc4)o3)nnc2N2CCCC2)c1 13121278 QGFQBBAWKOPDNJ-UHFFFAOYSA-N 437.956 5.468 0 40 IKAB Cc1cc2cc(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)c(Cl)nc2cc1C 13562016 ZWBWJKLSZMCDPH-UHFFFAOYSA-N 427.375 6.140 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13768362 JNBFYKPRYOJVCI-XXBNENTESA-N 439.298 5.964 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)c1 14184864 MATUUYHVXUWRNE-GOSISDBHSA-N 441.940 5.012 0 40 IKAB CCOC(=O)[C@@H]1C(=O)Oc2ccccc2[C@H]1[C@@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 15021899 HCCASHTVIJTISL-RJGXRXQPSA-N 448.902 5.189 0 40 IKAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413248 LFTHMJANVMMQIJ-RUZDIDTESA-N 430.573 5.455 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 15911434 BEHJFAPVQMRPCB-IBGZPJMESA-N 431.458 5.270 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16737335 IOVGVXPIQFBBJN-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB CCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)cc1 16753430 AMNGLHWAXHDQAU-UHFFFAOYSA-N 439.512 5.355 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4cc(C)ccc4o3)cc2)c(F)c1F 17096796 FFEFXAJMGYUXOL-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc45)cc3n2)cc1 17098995 UBMBVHSHXVAIEV-UHFFFAOYSA-N 434.543 6.477 0 40 IKAB Fc1cccc(Nc2noc3c2CN(Cc2ccccc2OCc2cccnc2)CC3)c1 19349337 QQSOFVJZGFNLNL-UHFFFAOYSA-N 430.483 5.090 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 20739255 WJCRQUXJGUTJQC-UHFFFAOYSA-N 431.835 5.761 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22245481 IKYVLJHQXFRYED-UHFFFAOYSA-N 449.963 6.917 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1)c1cccc2ccccc12 27533436 IVWFUBDZIRMDEV-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CCCCC1CCC(C(=O)Nc2nnc(-c3ccc(-c4cccc(F)c4)cc3)s2)CC1 27914057 MMLXGQVXCMJLRJ-UHFFFAOYSA-N 437.584 6.946 0 40 IKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(-c4ccc[nH]4)o3)c3ccccc3)c[nH]c12 28131170 SLOBCHBRRKDCTJ-QFIPXVFZSA-N 428.517 5.825 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3o2)cc1C 32116375 MTZXOWVJYLJPEZ-UKTHLTGXSA-N 427.529 5.638 0 40 IKAB COc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1cccs1)oc1ccccc12 33005202 ICBGXHBZNSHKET-UHFFFAOYSA-N 434.542 6.269 0 40 IKAB O=C(Nc1cc2c3c(c1)[C@H](c1ccccc1)CCN3CC[C@H]2c1ccccc1)c1ccccc1 33710308 GXSKMCROYUZMOT-SVBPBHIXSA-N 444.578 6.817 0 40 IKAB CC[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Br)cc1 40032368 ZLDVPMUTHZSHJV-KRWDZBQOSA-N 449.295 5.582 0 40 IKAB COc1ccccc1Nc1nc(-c2sc(NC(=O)C[C@H]3CCCCO3)nc2C)cs1 40556489 DRBSJFNCVFSEGI-CQSZACIVSA-N 444.582 5.225 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 44899941 LDJYNDUUOSBDGU-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CC(C)OC(=O)c1cccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)c1 67339375 LESKCVGVLIUGPJ-VQHVLOKHSA-N 428.282 5.412 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2nccc(C(F)(F)F)n2)CC1 69877925 MFNOSDNLPYWDLW-IBGZPJMESA-N 447.505 5.189 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)N(Cc2cccnc2)C[C@H]2CCCO2)cc1 70037837 CHOBQTHWPSYLFI-JOCHJYFZSA-N 433.508 5.096 0 40 IKAB O=C(Nc1cccc(N(CC2CC2)C(=O)c2ccccc2Cl)c1)c1ccccc1Cl 72300880 WUGIAPUUEBVHJX-UHFFFAOYSA-N 439.342 6.303 0 40 IKAB CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 89677965 SMZQPOBYJIVSES-SANMLTNESA-N 436.515 5.251 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223362563 IGBXDDGYRXSVBC-NRFANRHFSA-N 447.044 5.544 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 223395397 QXEPHERDGRGERH-UHFFFAOYSA-N 443.955 7.784 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223656365 VRDXLYCGIBJZMH-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 223744033 KEJRKHCIUATPKP-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223813008 DMWGPQFDVHLAED-QFIPXVFZSA-N 434.624 5.527 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224154325 QREYFVTZNGUROG-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)c1 224254222 SKQYPSOPULHTLR-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 224392947 QFYQPFUHESOCTM-BJKOFHAPSA-N 446.551 5.457 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224411617 PYOZJWYJWFEZNA-PKTZIBPZSA-N 449.938 6.311 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224553956 HJQYMCWXYTXWQA-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)s1 224918458 OMTXAPCWESOWEA-OALUTQOASA-N 444.423 5.700 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225193638 GWZYECGUHCVSGL-NRFANRHFSA-N 435.395 5.178 0 40 IKAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(CSc2ccc(Cl)cc2)cc1 225236440 YBLLHDXQKNIMGF-IBGZPJMESA-N 425.937 5.202 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225362351 OYYFRKXICZOURD-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586907 WIAQNNBEQVJCKB-GOSISDBHSA-N 430.995 5.564 0 40 IKAB C[C@H]1C[C@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(F)cc(F)cc2Br)C1 226324759 KANKDKWAFWSSTF-RYUDHWBXSA-N 438.316 5.044 0 40 IKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226340026 HOGLOKYJAHIGOB-UHFFFAOYSA-N 448.538 5.621 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)NCCCN3CCCCCC3)c1O)OC2(C)C 257327610 XCAVMUMBDRWWOK-HMXCVIKNSA-N 428.617 5.079 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@H]2C=CC=C[C@@H]21 408541643 COGSWSAWRYPUAH-WMZOPIPTSA-N 430.392 5.543 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)c(Cl)c1 408560939 FXSUOSQAXQQGLI-FLFQWRMESA-N 435.376 5.855 0 40 IKAB CCN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)CC1 408576755 QXZAGYYBAYTWIF-UHFFFAOYSA-N 427.372 5.025 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2C)c1 408696696 BGMLYRDRPPJCNW-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)c(C)c1 408728712 RVALMTGQYQSQHV-GOUQPXDXSA-N 431.535 5.727 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3Cl)sc2c1)c1ccccc1 408749109 DNTXAVQENXSEPJ-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(OC)cc1 408835553 NUCDSYXJUJVWJU-UHFFFAOYSA-N 442.584 6.542 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 408978454 IKUFYZIWXOLIOP-UHFFFAOYSA-N 442.569 7.039 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C(=O)N1C1CCCCC1 409081919 QZRLJGYYLIFBEX-BOPFTXTBSA-N 438.833 5.844 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1C 409379752 ZCSCESGSASUCAC-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C1c2cc3c(cc2[C@@H]2C[C@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 689938 DSTSQAROMMWVIN-NMVJMZGASA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 823205 TWBJPYZUBKVQNU-HKUYNNGSSA-N 439.364 5.595 0 40 IKAB Cc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@H]2CCCO2)c(C)c1 890214 ZPDJPBLFXVKOHL-HXUWFJFHSA-N 443.016 5.632 0 40 IKAB Cc1nc(N(c2ccccc2)S(=O)(=O)c2ccccc2)sc1NC(=O)c1ccccc1 1106659 FFCQFGIBPDIPET-UHFFFAOYSA-N 449.557 5.231 0 40 IKAB COc1cc(C=O)ccc1OC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 1138179 GQGVQGHTYZCFRI-ZRDIBKRKSA-N 430.485 5.041 0 40 IKAB Cc1cc(C)c(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)c(C)c1 2114047 UDJDZTHPUVBMRC-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCCCC3 2276061 NWFUPLYCKZLMMY-UHFFFAOYSA-N 442.650 6.397 0 40 IKAB O=C(O)C[C@H](C/C=C/c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 2385927 MLWHGLZHUJARIA-ZBWUASRJSA-N 427.500 5.472 0 40 IKAB CCc1cc([C@H](c2ccccc2Cl)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551896 ORDCFVCSMZIXAM-QHCPKHFHSA-N 439.024 6.792 0 40 IKAB Clc1ccc(-c2nn3cc(-c4ccc5c(c4)OCCO5)c4c3n2CCCC4)c(Cl)c1 2684447 WRFPYIFNSOTRPZ-UHFFFAOYSA-N 440.330 5.884 0 40 IKAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(=S)sc(-c4cccc(C)c4)c23)cc1 2693335 PKCOPCRSMYQFAR-UHFFFAOYSA-N 428.582 6.377 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2c(Cl)ccc(C)c2Cl)c1 3217974 SLHVDEAGKRLLGO-UHFFFAOYSA-N 449.787 5.238 0 40 IKAB O=C(NCc1ccccc1)C(=Cc1ccc(Cl)cc1Cl)C(=O)NCc1ccccc1 3222309 ZBYNXKQEKHODDP-UHFFFAOYSA-N 439.342 5.010 0 40 IKAB O=C1c2ccccc2C(=O)N1CCCCP(=O)(Oc1ccccc1)Oc1ccccc1 4105472 YELAXOXOGPOOFH-UHFFFAOYSA-N 435.416 5.414 0 40 IKAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cn(C(C)C)c3ccccc23)C1=O 8439136 FANQGAIOBOLDDE-CIAFOILYSA-N 433.533 5.206 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)c1 8915807 OGGWLDLEDVZKDB-IBGZPJMESA-N 445.950 5.576 0 40 IKAB Cc1cc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)n(-c2nc3ccccc3[nH]2)n1 9124100 VFHQLTWTXDGQIJ-UHFFFAOYSA-N 442.331 5.831 0 40 IKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H]1C 9272005 IOJSASXMHFMQDT-IJYKJPCMSA-N 434.451 7.353 0 40 IKAB COc1cccc(C(=O)Nc2cc3ccccc3cc2NC(=O)c2cccc(OC)c2)c1 9354573 GQVYYRBBAQMLAF-UHFFFAOYSA-N 426.472 5.362 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)N[C@H](C)c3cccc(Cl)c3)o2)cc1 9469050 JUHQLJKLRSISNY-OAHLLOKOSA-N 444.988 5.206 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1 9667271 XKVRYCDVHLCETI-UHFFFAOYSA-N 428.536 5.397 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1Cc1cccs1 9984964 WGGSTVDMGSBRBP-UHFFFAOYSA-N 448.573 5.721 0 40 IKAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C(C)C)cc1NC(=O)c1ccccc1 10060011 WWWWMQDAWXRHED-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1NS(=O)(=O)c1ccccc1 10314913 ZYIQUZLVNUJLEJ-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)[nH]c2c1 12530357 YKUVTLWBLADCKU-UHFFFAOYSA-N 429.851 5.365 0 40 IKAB COc1ccc(C2=NN(C(=O)C(C)(C)C)[C@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 13014105 IPZMWIRCPLXIMQ-NRFANRHFSA-N 435.955 5.929 0 40 IKAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)c1ccc(C2CCCCC2)cc1 13016388 UTOVFBKMGPPYFR-UHFFFAOYSA-N 426.513 5.810 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Nc1nc2c(s1)C[C@H](C)CC2 13149263 BUZUHPLEESNFGI-CYBMUJFWSA-N 441.578 5.817 0 40 IKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCCOc2ccccc2)cc1 13659503 XAVNTIDPKIVMBQ-UHFFFAOYSA-N 428.576 6.772 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 13716993 NDQJQGQKMSKUMN-UHFFFAOYSA-N 437.608 7.448 0 40 IKAB C[P@@](=O)(O)[C@@H](C(=O)N/C=C/c1ccc(F)c(F)c1)c1csc2ccc(Cl)cc12 13982781 SEXLHAASDZPHOM-IPLHWJFFSA-N 441.823 5.561 0 40 IKAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCC(C(=O)N2CCCCCC2)CC1 14138993 UPFXPSQYYCFIKE-BUHFOSPRSA-N 432.564 5.133 0 40 IKAB CCOc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cc1 14254562 OAKAVPYOUXEFOT-OAQYLSRUSA-N 449.507 5.747 0 40 IKAB COc1cc(C)c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2C)cc1OC 14712498 SUCJESHRGPSGCW-UHFFFAOYSA-N 427.504 5.426 0 40 IKAB CCOc1cc(/C=C(\Cl)c2nc3cc([N+](=O)[O-])ccc3[nH]2)ccc1OCc1ccccc1 15518770 XHYFQDHYFNDOND-UNOMPAQXSA-N 449.894 6.186 0 40 IKAB COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccc(Cl)cc1 16195469 LEGYWKRPBCEGGA-UHFFFAOYSA-N 447.760 5.375 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)CC(C)C 16347664 XJSAEWHANQGEHX-UHFFFAOYSA-N 436.364 5.969 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1 17096643 HWMZNLMWFXUUPR-LJQANCHMSA-N 429.589 5.859 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 17097658 LNMWDODXMGXLMD-UHFFFAOYSA-N 431.586 5.961 0 40 IKAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)cc1Cl 17196808 MEMHDOVIZZTWSV-WQRHYEAKSA-N 441.965 5.921 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(SC(F)F)cc2)n(C2CCCC2)c1C 18532808 ZUOQNSNCGKNFTD-CQSZACIVSA-N 425.570 6.049 0 40 IKAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3nnc(-c4nccc5ccccc45)o3)coc2c1 19221614 BJGJJEHZHJPQLF-OAQYLSRUSA-N 438.487 5.246 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3C3CCSCC3)nn21 19343872 XJZNJZYECPMVLA-XYJFISCASA-N 442.576 5.637 0 40 IKAB COc1ccc2cc(C(=O)N3CCC[C@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 19563773 WCSUWSHTFZLUKO-AWEZNQCLSA-N 442.441 5.091 0 40 IKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CC(c1ccccc1)c1ccccc1)CO2 20478431 XJLKVHIDYJXEKA-UHFFFAOYSA-N 437.539 5.574 0 40 IKAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4cccc(Cl)c4)cc3)CC2)cc1 20528440 QSFDZRDWDQUQRT-UHFFFAOYSA-N 447.966 5.117 0 40 IKAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cc(Cl)ccc1Cl 20765275 LWQPOMSZHCINED-UHFFFAOYSA-N 431.142 5.363 0 40 IKAB CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 22074189 SRFXEIZCXBDFRC-KRWDZBQOSA-N 430.375 6.822 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2cccs2)cc1 22393437 QHFBTGAUZDRUTE-UHFFFAOYSA-N 446.569 5.064 0 40 IKAB COc1ccc2c(CNc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc(=O)oc2c1 24923817 VMROHLPYEFDKKR-UHFFFAOYSA-N 434.879 5.319 0 40 IKAB Cc1ccc([C@@H](CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(OC(C)C)cc2)cc1 26503792 CRGPSKZOSZDHRJ-JOCHJYFZSA-N 442.386 7.250 0 40 IKAB C[C@@H]1CSC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2cccc(C(F)(F)F)c2)=N1 27525464 WJGNBMBBNUZKOE-SNVBAGLBSA-N 448.297 6.542 0 40 IKAB CC1CCN([C@H](CNC(=O)CCc2ncc(-c3ccc(F)cc3)o2)c2cccs2)CC1 27575175 LKUCFZXJJXVBDA-HXUWFJFHSA-N 441.572 5.064 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2cc(Cl)c(O)c(Cl)c2)c1 32118769 QYAYXZUTBQOCLE-UHFFFAOYSA-N 427.353 5.023 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Cl 32127527 KMUHOILGLKEFCZ-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB CC1CCN(Cc2ccc(NC(=O)c3ccc(CNC(=O)OC(C)(C)C)cc3)cc2)CC1 32936093 GFHDTYJNLZIJAT-UHFFFAOYSA-N 437.584 5.196 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc2ccccc2c1=O 32984655 SINFQCLLICXFAC-UHFFFAOYSA-N 439.968 6.106 0 40 IKAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cccc(Cl)c1Cl 34719709 WWBBBCLGTBWBKZ-UHFFFAOYSA-N 429.328 5.879 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3cccc(OC)c3OC)cc(-c3ccc(C)cc3)nc21 36615797 FGKQRAXQORCEOF-UHFFFAOYSA-N 430.508 5.005 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(=Cc3cccc(F)c3)CC2)c1 40135708 VAMQGEPWLDUGSH-UHFFFAOYSA-N 436.556 5.151 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2cccc(Br)c2)N1Cc1ccc(F)cc1 40485538 FUKDLRIMIULOIN-OAQYLSRUSA-N 438.296 5.641 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccccc21 41076843 UDEIRLLMVSPZAV-UHFFFAOYSA-N 429.589 6.247 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2)cc1 44854571 OBCDZFHKQVQPLF-UHFFFAOYSA-N 433.895 5.638 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 44937253 IKZSOYVYYUCQHO-DEOSSOPVSA-N 429.004 5.464 0 40 IKAB Cc1cc(C(=O)N2CCC(C)CC2)ccc1NC(=O)Cc1csc(Cc2ccccc2)n1 58062848 PAYLYENBDBURFE-UHFFFAOYSA-N 447.604 5.096 0 40 IKAB c1csc(-c2cc(-c3nn4c(CN5CCCCCC5)nnc4s3)c3ccccc3n2)c1 71260621 BZQMTTPFFLJNNE-UHFFFAOYSA-N 446.605 5.506 0 40 IKAB c1ccc(C(c2ccccc2)c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)cc1 72333560 ARPJFPYAJQLFAI-UHFFFAOYSA-N 426.589 5.834 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccc5)cc34)cs2)cc1 96154507 NVKSULKJNOKAMC-UHFFFAOYSA-N 425.513 5.857 0 40 IKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccc(Br)cc1 106724392 PIFHCEFLNHTSLG-NVNXTCNLSA-N 426.694 5.478 0 40 IKAB CCOC(=O)N1C[C@H](Cc2ccccc2)[C@H](CN(c2ccccc2)c2ccc(Cl)cc2)C1 143271181 GBPNJTHUJRORPL-GOTSBHOMSA-N 448.994 6.425 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219840578 WPGQDMKAHXVNRF-UHFFFAOYSA-N 437.923 6.128 0 40 IKAB C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCCC2 222904008 KANMEBYSAUJOOI-GOSISDBHSA-N 436.020 7.002 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 223046604 NFVFGSVJOZGQIX-QFIPXVFZSA-N 440.653 5.179 0 40 IKAB CCc1ccc(OCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)c(Br)c1 223285710 GBXFXVPNFZWYEW-IBGZPJMESA-N 446.385 5.589 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n(-c2ccccc2)c1C 223366882 TYPPUHQARVTOSI-DQEYMECFSA-N 442.588 5.563 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C 223437334 XEEKCNNZLWZEEC-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223550262 KRGVDVCOEJFBGK-MHZLTWQESA-N 444.575 5.190 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223746251 UVWLXMUTGCQWMI-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 224447757 HOOLOTYLKZYHFV-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224537999 KMCNOPJMRCHJJL-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(Cl)cc1 224679227 PCLTURRJOCEBKF-UHFFFAOYSA-N 440.008 7.209 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)ccc1F 224906739 UDDXMRHUBGWRIE-ZEQRLZLVSA-N 446.526 5.636 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225174552 BCZMPGISUFVYCR-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 226348861 MQKNNNZRUMOHMT-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)C1 226666981 ATZFDDWHFVQWFV-JICQUXPRSA-N 441.571 5.606 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@H](C)C1 260817042 VOAURTKTVRYFMO-AVJFOWIRSA-N 430.633 5.357 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)c1 408548126 PNFMGKDJDSNJCB-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1 408558343 TXPFQEGEIKVDFH-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2OC)cc1 408559215 YCTAIHCAHGVWTO-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1 408597394 YTOLWLZSGFAHFJ-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB Cc1cc(Br)ccc1NCc1c(OCc2ccccc2)ccc2ccccc12 408610709 RQKWYYZZJVRUEH-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1ccc(Cl)c(Cl)c1 408660534 AEFGTXSLLQYKAX-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(C(=O)O)cc3)sc2c1 408750871 SSLKPQXMHFCAAE-UHFFFAOYSA-N 434.542 5.848 0 40 IKAB Cc1cccc(CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@H]4C(=O)O)cc3s2)c1 408750906 TZFBXFPBDFIKRF-QZTJIDSGSA-N 440.590 5.727 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)N1C1CCCCC1 409084340 BGUDVXIRWFWTTR-BKUYFWCQSA-N 445.346 5.798 0 40 IKAB Fc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 409207565 XUBLYHQWXPKJFU-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c(C)c1 409374305 LYUZFQQMQHFZTQ-CAOOACKPSA-N 449.359 5.594 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@@H]21 1083103378 QDTHBJRRNHWFTN-PDMAMLTQSA-N 443.591 5.906 0 40 IKAB COc1ccc(C(=O)N(c2ccccc2)[C@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 830052 YCYGVALLZKTSPY-IBVKSMDESA-N 442.559 5.865 0 40 IKAB CSc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 883832 NXAXRGGDEQSZNS-UHFFFAOYSA-N 435.496 5.615 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 918125 MBCSHGNNTJIEPV-ZSEKCTLFSA-N 432.446 5.049 0 40 IKAB Cc1ccccc1NC(=O)c1cc(-c2cccs2)nc2c(C)cc(Br)cc12 993389 PHMOLYJSOHLCHZ-UHFFFAOYSA-N 437.362 6.595 0 40 IKAB Cc1sc(NC(=O)c2cccnc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1366789 UZZNJACEKBEARB-UHFFFAOYSA-N 434.565 5.091 0 40 IKAB COc1ccc(N2C(=O)C(Sc3ccc(C)cc3)=C(Sc3ccc(C)cc3)C2=O)cc1 1776960 WRBHNABHQHQXQE-UHFFFAOYSA-N 447.581 5.981 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccc(F)cc2)cs1 1782436 HNNFTDXMDUKCSB-BJMVGYQFSA-N 447.329 5.762 0 40 IKAB CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 1898839 HHVAAFUPGPGCAN-OAHLLOKOSA-N 438.622 5.358 0 40 IKAB O=C(N[C@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 2066807 YRPUJGLUAUJBOU-CQSZACIVSA-N 436.147 5.700 0 40 IKAB CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)sc2c1 2217374 LVJVLZMHRDCAAJ-OAQYLSRUSA-N 442.496 5.869 0 40 IKAB CC(=O)CCc1c(-c2ccc(C)cc2)c2ccccc2n1S(=O)(=O)c1ccc(C)cc1 2277545 QOVUXFFFPOKGHU-UHFFFAOYSA-N 431.557 5.684 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(Cl)c(C)c2)cc1 2411946 JDNKCQBRJKFKKO-UHFFFAOYSA-N 448.950 5.893 0 40 IKAB CSc1nc(NC[C@@H]2CCCO2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2452298 SMAYSQUOVNTQRD-LBPRGKRZSA-N 438.578 5.301 0 40 IKAB C[C@@H]1CCc2c(sc3ncn4nc([C@@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 2788953 QVNZNBZUAXDXOE-GHMZBOCLSA-N 446.502 5.166 0 40 IKAB CCCCOc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 3162237 OVKKSHBLYZHJDE-DEOSSOPVSA-N 442.386 7.599 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CCC(=O)Nc2cccc3ccccc23)cc1 3216225 BWJRVVKTXPFANL-UHFFFAOYSA-N 431.539 6.572 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)cc1C 3344533 FMFJTJATFWEBSR-UHFFFAOYSA-N 438.500 5.648 0 40 IKAB COc1cc(Cl)c(C)cc1N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 8594350 WITRQPKEOLNDTH-NRFANRHFSA-N 440.330 6.562 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8874896 YTSAAUWGZRTHMJ-WYRIXSBYSA-N 432.467 6.006 0 40 IKAB Cc1oc2cc(OCC(=O)N3CCC(C)CC3)ccc2c(=O)c1-c1ccc(Cl)cc1 9049956 YRVYUAIFXYYEIR-UHFFFAOYSA-N 425.912 5.059 0 40 IKAB CN(CC(=O)Nc1ncc(C(F)(F)F)cc1Cl)Cc1ccc(Cl)cc1Cl 9051155 UUYXRUSBTDFOLC-UHFFFAOYSA-N 426.653 5.131 0 40 IKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 9296268 WFMRYZAAXYPLOQ-UHFFFAOYSA-N 435.980 5.991 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2ccccc2c1=O 9402842 RYRFCKTVFHLBAI-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB CC1(C)Cc2cccc(OCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)c2O1 9446560 NUOAUXIPCFDJIQ-OAQYLSRUSA-N 425.575 5.076 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cccnc1 9465673 CLIMSLWVDDVHJY-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Nc1ccc(Cl)cc1Cl 9493675 PQGMANAKJIHFFK-UHFFFAOYSA-N 442.368 5.120 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1cccc(Cl)c1 9498134 ADKFYXPWMMILIM-UHFFFAOYSA-N 448.979 6.016 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nnsc2Cl)n1CCc1ccccc1 9549196 FEXAZLCBKKLSAO-UHFFFAOYSA-N 431.949 5.124 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3OC[C@@H]2c2ccccc2)o1 9549961 JURBBBSQSJKITP-OAQYLSRUSA-N 443.528 5.304 0 40 IKAB O=c1c2c(nc(SCc3ccc(Cl)cc3Cl)n1Cc1ccccc1)CCS2 9602667 PREZUPGWGWXVHF-UHFFFAOYSA-N 435.401 5.539 0 40 IKAB COc1cccc(CN(C)C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 9794830 RBKKDQLTGQRRMG-UHFFFAOYSA-N 435.574 5.118 0 40 IKAB CCCCN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 9849668 FAAJXKBALPRZJF-UHFFFAOYSA-N 433.423 6.034 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2)nc2c(oc3ccccc32)c1=O 9971041 IRRJAIXQLCERJP-UHFFFAOYSA-N 441.512 5.171 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2 9972070 LEHKLISOBDGNCD-NRFANRHFSA-N 445.302 5.490 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c(C)n1Cc1ccco1 9980209 HKDZYKNHFOHHBC-UHFFFAOYSA-N 432.505 5.253 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 11117315 KBYBMTNELLFQAM-SFTDATJTSA-N 427.957 5.165 0 40 IKAB Cc1cc2oc(C(=O)Nc3ccc(-c4nc5ccccc5s4)cc3)cc(=O)c2cc1Cl 11914352 XECXJYCMJOYMRR-UHFFFAOYSA-N 446.915 6.284 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193040 SRWOFOQFTSKALH-RBBKRZOGSA-N 439.740 6.345 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2OC)s1 12590920 AIYFCLDSSHGCMF-LSDHHAIUSA-N 442.610 5.923 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)CN[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 12802669 HLMSCAFDILTRBM-RUZDIDTESA-N 449.982 5.140 0 40 IKAB COc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 12860703 FPVFEIBTNZKHAV-HVKPZDIDSA-N 433.592 5.727 0 40 IKAB biogenic C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cc2ccccc2o1 13128132 OHTOUUCXGFMBAY-CQSZACIVSA-N 436.512 5.135 0 40 IKAB C[C@@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405251 NKAAAQIOGVGJLI-UYZPOPDZSA-N 442.640 6.925 0 40 IKAB biogenic COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498379 CVNAXNNLEKWLGB-RUZDIDTESA-N 448.588 5.133 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)cc2C)cc1 13514010 YFZSYJKLNCACQI-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB COc1cc(OC)c(-c2nc(-c3cccs3)c(-c3cccs3)[nH]2)cc1Br 13617260 JZWNLSWUEHBGJU-UHFFFAOYSA-N 447.379 6.313 0 40 IKAB COc1ccc([C@@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 13787138 OPJXHXUZVYBJKL-JOCHJYFZSA-N 436.471 5.100 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@@H](C)Oc1ccccc1Cl 13870834 DHCNMQSCQGGWSS-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB C/C=C/c1cc(C(=O)Nc2nc(-c3ccc(OC)cc3OC)cs2)cc(OC)c1OC 14249043 WAGLWMZEPCNSPW-VOTSOKGWSA-N 440.521 5.130 0 40 IKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(Br)cc4)ccc3c2C)cc1 15390614 BAPWJMLZFTWGOC-UHFFFAOYSA-N 448.316 6.295 0 40 IKAB biogenic CCOC(=O)c1cc(OCC(=O)Nc2ccc(C(C)C)cc2)c2cc(Cl)ccc2n1 15829026 KGILNSYVWILJQE-UHFFFAOYSA-N 426.900 5.206 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C(C)C)cc2)n1 16011283 MHCWGWMBPOKNOO-UHFFFAOYSA-N 449.942 5.243 0 40 IKAB O=C(Nc1cccc2ccccc12)N1CCCN(C(=O)Nc2cccc3ccccc23)CC1 16544932 YYYIEKNVPVIOIP-UHFFFAOYSA-N 438.531 5.765 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)ccc1OCc1ccccc1 16689199 FVGLLKJZRNOSCV-UQQQWYQISA-N 449.506 6.162 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1COC(=O)Nc1ccc(Cl)cc1 19075419 JDXMAGCLHJAIIA-UHFFFAOYSA-N 430.291 6.386 0 40 IKAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20611342 ZIYPJFKACTWXPX-UHFFFAOYSA-N 445.331 5.916 0 40 IKAB Cc1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)c(F)c1 21547114 ZZOUBWYKVSDPRZ-UHFFFAOYSA-N 426.513 5.029 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2)s1)c1ccccc1SC[C@@H]1CCCO1 26783402 JIZZOYCVUUWYSG-KRWDZBQOSA-N 445.009 5.911 0 40 IKAB O=C(Nc1ccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1)c1ccc(Cl)cc1 27062516 ASTJQGWCDYKJKV-SIKLNZKXSA-N 426.944 5.014 0 40 IKAB Cc1c(C(=O)N2CC[C@H](C)Sc3ccccc32)nnn1-c1cccc(C(F)(F)F)c1 31895200 KNCVYVAVQRBVHR-ZDUSSCGKSA-N 432.471 5.126 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 32126400 UYHCTAFYZBTUHP-CQSZACIVSA-N 435.553 5.001 0 40 IKAB Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)ccc1Cl 32593568 RRIXPKYLGYNWBV-UHFFFAOYSA-N 444.763 5.008 0 40 IKAB CCOc1cc(COc2c(Cl)cc(C(=O)O)cc2Cl)ccc1OCc1ccccc1 33650609 JRRIWNKNOIEYMF-UHFFFAOYSA-N 447.314 6.248 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72215022 HMYQQMLOKQCIFS-UHFFFAOYSA-N 435.565 5.111 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)CCc1nc(C2CCCC2)no1 79112647 CPCAGFHTBKFLNZ-UHFFFAOYSA-N 427.545 5.089 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012662 JGEFPMUIBHSIMO-CQSZACIVSA-N 430.217 5.041 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987096 ZEEBCJUOMAGHTR-ISARSNTHSA-N 427.504 5.704 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102090501 VAYQBXMHMLTKPN-LDTXMFMOSA-N 437.495 5.108 0 40 IKAB COc1ccc([C@H]2C=C(Nc3ccc(C)cc3C)C(=O)N2c2ccc(C)cc2C)cc1OC 103678077 WKEQUWLVMNMMFD-RUZDIDTESA-N 442.559 6.021 0 40 IKAB C[C@@H]1C[C@@H](C)[C@@H](C)[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@H]12 105024124 APXOQDSIAUQKAU-ISUQJGDVSA-N 426.729 7.881 0 40 IKAB O=c1c2ccccc2nc(-c2ccccc2)n1/N=C/c1c[nH]c2ccc(Br)cc12 109091295 NOWBKMGAULZSRT-VULFUBBASA-N 443.304 5.190 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3OC(C)(C)O[C@@]32C(C)=O)C1 118917415 UHBMRCJLSUUKRV-GELILGFASA-N 432.601 5.050 0 40 IKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222577875 VRVQWYPGYKNZNM-VHKYSDTDSA-N 431.989 5.510 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)C)cc1 222595848 CPLUVDABSXOIDE-QHCPKHFHSA-N 429.004 5.167 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 222937589 YLBMEGSWRHBGKV-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222979801 IMZDJHMXYAYXHI-DQEYMECFSA-N 426.589 5.798 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 223224951 WTHQLBNZXMPUPQ-MRXNPFEDSA-N 431.407 5.572 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2SCc2ccccc2)cc1C(C)C 223313859 LOLSPBTZUAUCJQ-HXUWFJFHSA-N 433.617 6.910 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 223778095 WIEDFXUTFVURCZ-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224209101 SLXYTPYVUFTNDY-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cc(C)cc(C)c1C 224277886 LCZOCIKOFSDTKN-UHFFFAOYSA-N 444.358 6.759 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224528401 AWLSDUBMKSEAEN-DQEYMECFSA-N 446.620 5.801 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224553794 OFFJQAGLNIMTMW-NRFANRHFSA-N 435.395 5.116 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CC1 224863184 PCTZAHKKRMXZKA-FCHUYYIVSA-N 438.984 5.371 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 224907258 ZPWNHOQDCWQAKX-QGZVFWFLSA-N 449.422 5.432 0 40 IKAB O=C(N[C@@H](CC1=CS[C@@H]2C=CC=C[C@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 230403018 PMDBULUWCYRQDX-GAZXMLTASA-N 445.540 5.110 0 40 IKAB O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccccc1F 408555620 HJZCZHDDAZRQCI-UHFFFAOYSA-N 429.289 5.218 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(OCC)c2)cc1 408557607 PJHILZLNSJYKSO-UHFFFAOYSA-N 438.499 5.253 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Cl)c1OCC 408617132 BTNOLBVQVFBVSL-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB CCCc1nc(S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)O)n[nH]1 408631427 ISUZHDIWMLMVJU-NDENLUEZSA-N 436.512 5.117 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cccc(C)c2C)cc1 408697368 GTDMANFCPTXOLR-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408931834 QUYFDYFQRWGRPX-VQIMKDEXSA-N 449.334 5.272 0 40 IKAB CCCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)NC1=S 409091643 QZOQBEHUBWQYNB-YVLHZVERSA-N 439.339 5.179 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCc1cccc2ccccc12 409131586 JVICHIOAHMKAHZ-UHFFFAOYSA-N 431.963 7.310 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1cccc(Cl)c1 409165400 XUGJYGFXTADWQZ-OVCLIPMQSA-N 440.830 5.034 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)cc(Cl)c1OCC 409224254 KMXMWPYOIXVCRN-XDHOZWIPSA-N 445.924 5.057 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409348375 OZOFGPHNCOSFHG-LPYMAVHISA-N 441.512 5.305 0 40 IKAB C[C@H](Oc1ccc2ncc(/C=C/C(=O)O)c(C3CC3)c2c1)c1c(Cl)cccc1C1CC1 1775953401 HOMQCLNBKVHZGD-RZXPCSSPSA-N 433.935 6.881 0 40 IKAB COc1ccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4ccccc4OC)C[C@H]23)cc1 1848354072 OTAWJPXMBWNBML-JCYYIGJDSA-N 442.603 5.194 0 40 IKAB CCc1cccc(C)c1-n1c[n+](-c2c(C)cccc2CC)c2c1-c1cccc3cccc-2c13 1987972967 ZUTAAKHVZQOZDX-UHFFFAOYSA-N 429.587 7.296 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCc1ccc(Cl)c(Cl)c1 673716 GFSHVKKTYJCAMH-UHFFFAOYSA-N 430.118 6.194 0 40 IKAB C[C@H]1CCc2nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c3cc2C1 688346 XUWINNIWKZZAGD-AWEZNQCLSA-N 443.597 6.446 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2nnc(SCc3cccc4ccccc34)s2)c1 702328 TZPYEXSKEGADCG-UHFFFAOYSA-N 435.574 5.618 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2)CC1 724997 FDRMASGUYQIMFK-UHFFFAOYSA-N 441.984 5.112 0 40 IKAB Cn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 812966 GLJIKGVYGAPMOP-UHFFFAOYSA-N 430.558 5.404 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCc1ccccc1 900994 QLQPLLLJWMDLHX-HNNXBMFYSA-N 431.483 5.002 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)c1cccs1 929382 CKICDDVKKPHCOH-UHFFFAOYSA-N 428.485 5.189 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(OC)c(Cl)c2)c2ccc(OC(=O)C(C)C)cc12 1522211 UDFNKHBAWKPCTG-UHFFFAOYSA-N 429.900 5.339 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2251799 PLRPYOYQYJRQAL-FCHUYYIVSA-N 432.936 5.514 0 40 IKAB CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 2275903 ZPVNOVLAHWLDLQ-CQSZACIVSA-N 438.622 5.358 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4ccccc4c(=O)o3)c2)cc1 2348741 SXIZZBSOFVMAHS-QGZVFWFLSA-N 428.488 5.386 0 40 IKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3ccc(Br)cc3)sc21 2425535 LUMOPYBWZJDMSG-UHFFFAOYSA-N 426.339 5.719 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1-c1ccc(Cl)cc1 2443334 JDSGNASQHFMITR-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB CCN(C(=O)COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccccc1 2635024 AYRQPOALUVFOJD-UHFFFAOYSA-N 444.918 5.765 0 40 IKAB CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(C)c1-c1ccc(Cl)cc1 2679405 YUZPPAXFFYMQOJ-UHFFFAOYSA-N 434.989 5.368 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccc(C)cc4)cc2-3)cc1 2691342 CRCNKRLRVFAXKP-UHFFFAOYSA-N 439.515 5.586 0 40 IKAB Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4cccc(Cl)c4)n3n2)n1 2969217 USIOGZRDPOIBKA-UHFFFAOYSA-N 448.983 5.279 0 40 IKAB O=C(N[C@H](Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1Cl 3106844 ZJHWUEYNXOYDMU-AWEZNQCLSA-N 446.976 6.185 0 40 IKAB CCSc1nnc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)s1 3235324 YLMHFGUOOWDXGX-UHFFFAOYSA-N 440.981 6.079 0 40 IKAB COC(=O)CCc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(OC)cc1 3315141 CWFJUPQLRJEEGA-UHFFFAOYSA-N 447.354 5.430 0 40 IKAB CSc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)c1 3340365 DIENTEFOQOXJSP-UHFFFAOYSA-N 446.575 7.543 0 40 IKAB Cc1ccc(N[C@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c2ccccc2)cc1 3346350 NMQQOXAORYZKNG-QHCPKHFHSA-N 447.991 6.488 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(Cl)c1OCc1ccccc1 8425569 JBVZSLJINXONPT-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8759664 KVLXTBPNYZQHSG-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1cccc(O)c1 8820709 WWZYRMNFZXZXGN-MTJSOVHGSA-N 437.904 5.866 0 40 IKAB O=C1CCCC[C@@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 8825140 UIKFDZSADIUIHQ-NRFANRHFSA-N 435.936 6.209 0 40 IKAB O=C(O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 8842950 VFOSIEDBCQFKBC-AATRIKPKSA-N 446.522 5.542 0 40 IKAB Fc1cccc(Cl)c1COc1cccc(-c2ccn(Cc3cccc(Cl)c3)n2)c1 8857170 RDSKLWHPSHBESJ-UHFFFAOYSA-N 427.306 6.623 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8920890 MTHVBNUESRSLER-IVZQSRNASA-N 438.568 7.117 0 40 IKAB COc1ccc(Oc2c(-c3ccc(OCc4ccccc4Cl)cc3O)n[nH]c2C)cc1 9187789 NBNUBPKYCUQPQK-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c(OC(=O)/C=C/c2ccccc2)c1 9191992 BLQXTUKWIWOWAU-XOJXFWDVSA-N 440.499 5.012 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(OCC)c4)cc3n2)cc1 9226550 YTTGACZUEFMWCS-UHFFFAOYSA-N 448.954 6.068 0 40 IKAB CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 9304798 RIUJDLULTVMKKO-UHFFFAOYSA-N 441.575 5.868 0 40 IKAB O=C1Cc2cc(-c3csc(N4N=C(c5cccs5)C[C@@H]4c4ccco4)n3)ccc2N1 9413511 STDYRIOQNUKDME-GOSISDBHSA-N 432.530 5.315 0 40 IKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 9445959 QPALLAVRUMDDRD-UHFFFAOYSA-N 435.354 7.332 0 40 IKAB COc1cc(CCC(=O)N[C@@H](c2ccccc2)c2cc3ccccc3o2)cc(OC)c1OC 9513822 KQYIRBIZDVVRQS-SANMLTNESA-N 445.515 5.297 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 9669495 QQBBXTLAYYJSKK-HSZRJFAPSA-N 444.560 5.053 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1 10314886 PENUAEDSTIXGEZ-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB O=C(NCC1(c2ccccc2)CCCC1)C1CCN(C(=O)c2cccc3ccccc23)CC1 12101398 SSSBCIVTROEVIW-UHFFFAOYSA-N 440.587 5.320 0 40 IKAB Oc1nc(SCc2coc(-c3ccccc3)n2)nc2c1cnn2-c1cccc(Cl)c1 12741924 RDDSWALJFKTQAY-UHFFFAOYSA-N 435.896 5.122 0 40 IKAB FC(F)(F)c1cccc(CSc2nnc(-c3cc4c(s3)-c3ccccc3CC4)o2)c1 12960731 OLRUBMARPOTYIM-UHFFFAOYSA-N 444.503 6.875 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)c1 13025830 BNIIPVZHDUUOMJ-VWLOTQADSA-N 446.547 5.039 0 40 IKAB CCn1c(C)nc2cc(-c3nnc(Nc4cc(C(F)(F)F)ccc4Cl)s3)ccc21 13028362 SIHREUPJDSCZMG-UHFFFAOYSA-N 437.878 6.299 0 40 IKAB Cc1oc2cc(OC(=O)c3c(F)cccc3F)ccc2c(=O)c1Oc1ccc(F)cc1 13134189 FTFYONLRQXJMSI-UHFFFAOYSA-N 426.346 5.530 0 40 IKAB CCOC(=O)C1CCN(c2cc(-c3ccccc3)nc3cc(-c4cccc(C)c4)nn23)CC1 13562737 UHLLELRJYWWMKV-UHFFFAOYSA-N 440.547 5.151 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(F)c1F 14272374 AWECXVKLYSEZPI-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14405128 PNKSDQVAZFZOBY-ISLYRVAYSA-N 436.515 5.393 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 14607263 VRFXGUPNMCVBFM-UQBPGWFLSA-N 434.561 5.077 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)s1 15523013 MNORDRXJQFCHPV-UHFFFAOYSA-N 435.618 5.088 0 40 IKAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 16428370 DTRINMQUDXHKSE-HOTGVXAUSA-N 449.382 5.743 0 40 IKAB S=C(Nc1ccc(Cl)cc1)N1CCCN(C(=S)Nc2ccc(Cl)cc2)CC1 16428541 CYFZGWSHTSTZLO-UHFFFAOYSA-N 439.437 5.095 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cc(O)ccc2Br)N3)C1 17085966 CMQOLSZFFMRCEE-BMLIUANNSA-N 435.387 5.221 0 40 IKAB O=C(Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2cc(Cl)ccc2Cl)o1 17096376 MYNSAMRJDBNTOG-UHFFFAOYSA-N 429.347 6.492 0 40 IKAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17099378 QMPAERVOGMEKSB-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc5c6c(cccc46)CC5)c3)oc2cc1C 19418860 JLOKASCNYGQISQ-UHFFFAOYSA-N 432.523 6.924 0 40 IKAB CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 19931545 HQHZNCBRTHSJTJ-OAQYLSRUSA-N 428.941 5.022 0 40 IKAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(NC5CCCCC5)ncnc4c23)CO1 20358412 ZLXZLHZZNCWOAZ-UHFFFAOYSA-N 437.613 5.436 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(Br)cc1 22053585 RIIXMHAAFDPRST-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C)cs2)cc1OC 23638600 SMLWXTUZPNUPJS-UHFFFAOYSA-N 442.541 5.054 0 40 IKAB CCOc1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)ccc1OCc1ccccn1 24751318 WQSYCAZRPIMDFU-XMMPIXPASA-N 438.955 5.840 0 40 IKAB CCCOc1ccc([C@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc1 32593610 HIYWAXIMPIINCY-DEOSSOPVSA-N 427.504 5.214 0 40 IKAB CC(=O)Nc1cccc([C@H](C)NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 32795275 YPJARGZGFNKMNV-AWEZNQCLSA-N 434.521 5.075 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)cc1Cl 33114725 JFPGKRFABSFBAR-UHFFFAOYSA-N 426.973 5.313 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(I)cc2)cc1OCC 33553359 PMNHIVOWEYNGJN-UHFFFAOYSA-N 439.293 5.121 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc3ccccc23)ccc1C 33629362 XREOPNRWOKBUHI-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1cc2nc(CSc3ccccc3NC(=O)Nc3ccccc3Cl)cc(=O)n2o1 35429611 LWAHCTCHLZHTLU-UHFFFAOYSA-N 440.912 5.186 0 40 IKAB COc1ccc(CCNC(=O)c2scc(-c3ccccc3)c2-n2cccc2)cc1OC 38653833 WBGUNVIYBCYKBA-UHFFFAOYSA-N 432.545 5.196 0 40 IKAB biogenic CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 38756724 LCZOCMVTIRKWTK-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB O=C(CCSc1nnc(-c2ccc(F)cc2)o1)Nc1ccccc1C(=O)c1ccccc1 40024980 UGPUSHIBBFOVII-UHFFFAOYSA-N 447.491 5.228 0 40 IKAB CCc1nn2c(ncc3c(=O)n(CCc4cccs4)ccc32)c1-c1ccc(Cl)cc1 40397555 XYLDWIBFTYMTDG-UHFFFAOYSA-N 434.952 5.231 0 40 IKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@H](c1ccc(OC(F)(F)F)cc1)NC2 54979031 YSARIKOVGNZOPH-QFIPXVFZSA-N 432.442 5.366 0 40 IKAB COc1ccc(Cn2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 67258849 LEQCFKTWKSHWHP-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCCc2ccccc21 70038234 FZLYDLYRTWKIQP-UHFFFAOYSA-N 427.273 5.369 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3ccc(Nc4cnccn4)cn3)oc2c1C 72353136 QEZPXTFGJBXNCT-OAQYLSRUSA-N 427.508 5.264 0 40 IKAB COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccccc1 79052638 QDUUOQUVWXIZGW-KNQAVFIVSA-N 446.975 5.265 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 100503860 FXOXRVIAADCBDS-SAZLYLDSSA-N 437.926 5.764 0 40 IKAB COc1ccc([C@@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)c(OC)c1OC 101429175 CNKQJKURHKNBEP-VWLOTQADSA-N 431.513 5.963 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cccc(C)c2C)cc1 113938286 PKZQWQRVHMUIKB-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)Nc4ccccc4)CC[C@@]32C)C1 118925895 XMWPQZREYSBONJ-LGDUKFTGSA-N 449.635 6.526 0 40 IKAB CCOc1ccc(Br)cc1[C@H]1[C@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222669325 VVKUIRPLTNWJSY-CCKFTAQKSA-N 432.387 5.222 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 222684369 YZYXAYNRCWHIMY-IPHXSNPTSA-N 443.403 6.159 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223359828 LATQKDLOGYLVFM-SFHVURJKSA-N 449.422 5.568 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(C(C)(C)C)cc1 224181273 YRQRRULZGVPZHT-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224310560 ZLXWTPWWDWJHJY-UHFFFAOYSA-N 441.527 5.409 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 224420679 JCPHXWOBLDVDGG-IAGOWNOFSA-N 434.359 5.222 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224823195 OCDOGFAZARCSJQ-MHZLTWQESA-N 442.603 5.092 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@H]4C)cc3)CCCC2)c1 260818172 WLPYOVNXHPVZNT-HSZRJFAPSA-N 434.624 6.089 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cc(C)ccc1C 408593529 AQRMEGAYXGIVOE-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OC 408625842 YHOLGWPHUWQSHV-UHFFFAOYSA-N 443.135 5.180 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)cc1Br 408648995 YZKMCGFFQZPSIC-QGZVFWFLSA-N 437.337 5.211 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)cc1 408698252 OGGHKAKLWXVCJU-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 408719139 HKUMCPGUSVJXBT-QAQXJPMASA-N 447.534 5.321 0 40 IKAB CC(C)CSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408750444 NAQRCOQKVPJHIH-UHFFFAOYSA-N 439.606 5.533 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 408777402 ZWYJAHPAZZXCLV-GTWFGUSFSA-N 430.573 5.736 0 40 IKAB CC(=O)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408813394 NVLQKRVFQOLXEK-MTBBSATLSA-N 435.569 5.666 0 40 IKAB O=S(=O)(Nc1cccc2ccccc12)c1ccc(NC(=S)Nc2ccccc2)cc1 408926972 XBAFROJYMJHZIM-UHFFFAOYSA-N 433.558 5.450 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCc1cccc(C)c1 408987122 DNUUVNGCVSQISG-UHFFFAOYSA-N 446.572 6.229 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409134039 VKGUNRDYIGRBDE-HZHRSRAPSA-N 449.528 5.110 0 40 IKAB CCOC(=O)c1ccc(COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 409182540 MJLYTZCIQWUTGV-UHFFFAOYSA-N 445.902 6.089 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CC[C@H](O)c3ccccc3)nc2-c2ccccc2)cc1C 409193455 CYQHAIZEEVZPAE-QHCPKHFHSA-N 442.584 6.546 0 40 IKAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O 409196086 STQKZSAMISTMGJ-YBFXNURJSA-N 427.287 5.248 0 40 IKAB CN1CCCCCCCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583689 FNAVNQPGCZJDCF-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB Cc1cnc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(Cl)c2)s1 900562 VFRZWCXDJXYBOB-UHFFFAOYSA-N 441.969 5.083 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCC(=O)c3ccc(F)cc3)cc12 1240569 GGQOESWPXDLEIA-UHFFFAOYSA-N 448.446 5.686 0 40 IKAB biogenic CCOc1ccccc1NC(=O)CSc1nc(C)nc2sc3c(c12)CC[C@@H](C)C3 1326230 WPUKUIPBIWRMMC-CYBMUJFWSA-N 427.595 5.254 0 40 IKAB Cc1cccc(C)c1NC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C[C@H]1CCCO1 1339436 PMNAOEVWEXYWQH-OAQYLSRUSA-N 437.971 6.027 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 1468244 CRCGDJDXGAVKTC-UHFFFAOYSA-N 429.545 5.438 0 40 IKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c(C(C)(C)C)c1 1916377 QWPAVBGZJBLMPI-UHFFFAOYSA-N 449.403 6.740 0 40 IKAB Cc1sc2ncn(CC(=O)N3CCCc4ccccc43)c(=O)c2c1-c1ccc(Cl)cc1 1970855 IVDJCSUDPZCMCZ-UHFFFAOYSA-N 449.963 5.066 0 40 IKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(CCc3ccccc3)n2)cc1 2114304 RPYZRMYHULZMPC-UHFFFAOYSA-N 435.527 5.440 0 40 IKAB biogenic Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(Sc3ccccc3)o2)cc1 2188038 QBOBMYBIEDSNLP-UHFFFAOYSA-N 426.585 7.073 0 40 IKAB COc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1Cl 2252895 DFKDVHZUOCLSHL-UHFFFAOYSA-N 442.950 6.595 0 40 IKAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 2441169 GTBJSRPWAWNYDK-UHFFFAOYSA-N 448.446 5.789 0 40 IKAB biogenic CC(C)(C)c1ccc(-c2cc(C(=O)N3CCCC3)c3cc(Br)ccc3n2)cc1 2767004 MQFACNDAUYKFNK-UHFFFAOYSA-N 437.381 6.198 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CSC3)c1C 3008312 VHMZWYZDOVUXFO-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 3011644 KQQNLEVBHLEXGC-HKUYNNGSSA-N 430.430 5.113 0 40 IKAB Cc1cc(SCC(=O)OCC(=O)c2cccc(Cl)c2)c(C)cc1Br 3274582 PLYYNNYLHJGVGF-UHFFFAOYSA-N 427.747 5.238 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3ncc(C(F)(F)F)cc3Cl)c2c1C 3279382 NWDZWGGMBUXCII-UHFFFAOYSA-N 432.880 5.106 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971405 FMOSXWGMOAQLCW-QZTJIDSGSA-N 427.589 5.273 0 40 IKAB COc1ccc2c(c1)nc(-c1cccnc1)n2-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 5606820 WRXAJNAXANBFQK-UHFFFAOYSA-N 429.564 6.397 0 40 IKAB Clc1ccccc1CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1 6474914 PAHLQYDTXZWPEE-UHFFFAOYSA-N 441.387 6.479 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 6601513 JIYGUEBKZPURAW-LADGPHEKSA-N 449.348 6.090 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2cccc3ccccc23)[C@@H]2CCS(=O)(=O)C2)CC1 8869743 WEIOYTUCELBDMY-LLAFXHEGSA-N 441.637 5.352 0 40 IKAB COc1cccc(Oc2c(-c3ccc(OCc4cc(C)ccc4C)cc3O)n[nH]c2C)c1 9187788 OQVFBGSLZZVZQH-UHFFFAOYSA-N 430.504 6.087 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 9192635 YWQIJYNKHKTEBY-UHFFFAOYSA-N 435.955 5.194 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCc2sccc2[C@@H]1c1cccs1 9200803 QWCLYQUCVBNVQG-LJQANCHMSA-N 447.507 5.352 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccccc3SCc3cccs3)cc2)CC1 9322104 UPQOYCSVETVNBJ-UHFFFAOYSA-N 437.634 5.435 0 40 IKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2O[C@@H]3c2ccccc2)cc1 9492829 CSEKHIFNYFDQSQ-GDLZYMKVSA-N 445.587 7.991 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2sc(C)c(C[C@H](C)CC)c2c(=O)[nH]1 9589370 KSLBIVJHGNNINM-CYBMUJFWSA-N 429.611 5.175 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2NCc2nc(-c3ccccc3OC)no2)cc1 9647200 QIMUPSHRKXHBLD-UHFFFAOYSA-N 428.492 5.172 0 40 IKAB CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)cc1 9676129 HEAGGNOYTKHCIP-UHFFFAOYSA-N 429.470 6.534 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1c(-c2ccc(F)cc2)nc2sccn12 9833598 ZHYHVVWEHRFIBT-UHFFFAOYSA-N 443.503 5.886 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1)c1ccc[nH]1 9883243 DREMETOCUBZDEV-UHFFFAOYSA-N 435.380 6.060 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c1 9934573 ZXUIUIFQHBKALB-UHFFFAOYSA-N 445.544 5.561 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OC 9972612 FSKBQZZIWIPMKG-GEYIUBJWSA-N 445.968 6.071 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2C)cc1 10315083 CEQBACHPJOCBPO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(Cl)cc1Cl 10359057 RNDXCGILFRUPDC-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)NC[C@H](C)c1nc2ccccc2n1C(F)F 10640621 JTKCIOAWXFPDIA-NSHDSACASA-N 432.521 5.458 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2cc3ccc(F)cc3nc2C)cs1 10923423 AAFMCZYNJCADAC-UHFFFAOYSA-N 435.480 5.180 0 40 IKAB CCOc1ccc(-c2nc(CS[C@H](C)C(=O)NCCc3ccccc3)cs2)cc1 13012688 XIVXACKVTRYOKH-QGZVFWFLSA-N 426.607 5.189 0 40 IKAB CC(C)NC(=O)CSc1ccccc1C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 13131333 YENDWEIANLRIQU-CYBMUJFWSA-N 425.381 5.101 0 40 IKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(c2cccc(Cl)c2)CC1 13687711 WJFCRSVPFCAFJI-UHFFFAOYSA-N 441.358 5.535 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 13713839 PICHFPOSJGOUDL-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB CC(C)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009284 IIXOOUOUGYEWCX-UHFFFAOYSA-N 428.576 5.123 0 40 IKAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(-c3nc4ccccc4s3)cc2)cc1OC 15393988 ALNFCBYWZHITMU-INIZCTEOSA-N 448.544 5.064 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1c(Cl)cccc1Cl 16196272 HIVPSOGAIFZTLU-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c1 16291781 DBRFQUYNYRHFMQ-QHCPKHFHSA-N 426.965 6.772 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 16688743 JCYSSTZVGRHVSD-QFIPXVFZSA-N 429.919 5.280 0 40 IKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)Nc2cccc(F)c2)nn1 16992365 GECIVGLDSOWLCY-UHFFFAOYSA-N 442.566 5.507 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 17096935 RQHOYTHDYFJBBG-QGZVFWFLSA-N 430.504 6.034 0 40 IKAB COc1cc(NC(=O)c2cccc(Br)c2)ccc1NC(=O)c1cccs1 17097372 XEXWZUHJAJJOHW-UHFFFAOYSA-N 431.311 5.024 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)CC2)n1 19691220 KMBMZVVXVKUTQP-UHFFFAOYSA-N 446.522 5.636 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc(C(=O)O)c1O 20150905 XVOAPEJUQPDKGM-QPJJXVBHSA-N 432.259 5.618 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20493907 QYAUFZGTAPNHAB-NRFANRHFSA-N 428.315 6.021 0 40 IKAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504611 LCDUJLPIIZFNTM-UHFFFAOYSA-N 441.556 5.816 0 40 IKAB CCCc1ccc(NC(=O)[C@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)cc1 23722143 HCXVWXDABYLEQM-IBGZPJMESA-N 439.408 5.436 0 40 IKAB Cc1sc2nc([C@@H](C)SCC(=O)N[C@@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C 25068831 ZWGVGTKPGKUYFD-GXTWGEPZSA-N 441.578 5.019 0 40 IKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccccc1Cl 33680617 ZMPTYSCHCQXNOD-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1I)CCC2 34807817 NIDASDIWQDUXFM-OWBHPGMISA-N 441.268 5.415 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)c12 40024974 QIJFGSZIMJBQSN-HXUWFJFHSA-N 440.528 5.785 0 40 IKAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)Nc1ccccc1SC1CCCC1 58326867 QSDQNDPRJDDYBV-UHFFFAOYSA-N 425.529 5.880 0 40 IKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCN(c2cc(Cl)ccc2C)CC1 59409636 YAENZRSZELRANI-XVOWXPBNSA-N 443.031 5.229 0 40 IKAB biogenic CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)cc1 67289650 DMOHHCFOXNOMTH-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB O=C(Nc1ccc(Br)cc1)N(CCCO)Cc1ccc(Cl)c(Cl)c1 69508800 JPIWUVCOLUFMDC-UHFFFAOYSA-N 432.145 5.172 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN12 72332624 PXJJKLJKCJJZCP-HOFKKMOUSA-N 436.536 6.168 0 40 IKAB S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@H]1c1ccc(Br)cc1 89836530 ZLBSIKXSMMFVNS-IBGZPJMESA-N 440.366 5.268 0 40 IKAB COc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 102795065 OBJQEFCPQKPOSN-JOCHJYFZSA-N 432.321 5.863 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 103035116 CPVHOEXRGVOAQJ-LADGPHEKSA-N 432.391 5.719 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(C)cc2)C1=O 106703052 OIEUUVLDNHCFDX-JLPGSUDCSA-N 431.557 6.564 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1CCOc1ccccc1 106766556 NEKVMLKAVIYLRD-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1ccc(F)c(Cl)c1 215739190 BTGSACQQPUIBRF-LFIBNONCSA-N 430.266 5.188 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccccc1C(F)(F)F 217651159 VCPIGWPCKPQPON-UHFFFAOYSA-N 442.437 6.887 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223142555 FWRJXQLXGXDOIY-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1ccc(C(C)C)cc1 224144525 DESSOZPOWPMFAJ-RUZDIDTESA-N 436.596 5.055 0 40 IKAB Cc1cc(C(=O)NCCC2=CCCCC2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224218044 UXGRQIIELWROSP-UHFFFAOYSA-N 447.000 5.094 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224407597 HLKJGZXNLRUMEZ-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 224650069 RQXDSWUJYSCBHQ-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224674389 FEDYTXMZTPJNHB-JOCHJYFZSA-N 442.603 5.639 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224702249 NSCWCRLTWQWTGE-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225104074 YDEZTDRYBGMVFN-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225566525 WMTARVNBSPUTRU-UHFFFAOYSA-N 439.625 5.019 0 40 IKAB O=C(OC1CCCCC1)c1ccc(Br)c(-c2cc3ccccc3oc2=O)c1 226357778 NOTGAEVWKAMNSD-UHFFFAOYSA-N 427.294 5.712 0 40 IKAB Cc1nc(Nc2cncc(C3CCN(Cc4cn(C)c5ccccc45)CC3)n2)sc1C 257251581 JRINAUAIBXKBOJ-UHFFFAOYSA-N 432.597 5.165 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)c1 408545299 KBDPQKXAGGTUMY-UHFFFAOYSA-N 426.582 5.033 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2ccc(Cl)cc2)cc1 408629910 KGYGEQXNHZVRHP-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408640881 KCZPXUQCVRHHOS-QFIPXVFZSA-N 442.559 5.904 0 40 IKAB COC(=O)c1cccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 408675981 CGWPRPYPVLKDHC-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB Cc1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 409027727 GTSMVYSBAVLMBF-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409112397 CLURJBPBQCOKCP-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409114632 HVECXUYOLSAHAZ-UHFFFAOYSA-N 445.968 5.735 0 40 IKAB O=C1N/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1Cc1ccccc1 409207446 XCCBIUFWUTYLLN-UCQKPKSFSA-N 441.918 5.436 0 40 IKAB Cc1ccc(-c2ncco2)cc1NC(=O)N[C@@H](c1ccccc1)c1nc2ccccc2n1C 536260456 XDEHIDQTOFIRST-QHCPKHFHSA-N 437.503 5.448 0 40 IKAB Cn1c([C@H]2CCCN2C(=O)C[C@@H](c2ccc(Cl)cc2)n2cccc2)nc2ccccc21 1614476984 OHSSLCHHZJYGQR-PKTZIBPZSA-N 432.955 5.371 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 878759 XGEBHNGWLFDBHG-UHFFFAOYSA-N 435.524 5.276 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1336124 NKFMHVRYDVWXGW-VWLOTQADSA-N 447.604 5.217 0 40 IKAB COc1cccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)c1 1341021 GEWABPXIJBRVAH-UHFFFAOYSA-N 438.453 5.525 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1F 1380116 JUMGVDQCEMYCFI-HSZRJFAPSA-N 438.474 5.313 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccccc1Br 2055621 RNKJDQOJWXQZCC-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)cc1 2416029 GNNAYEZQEYDCCG-PKTZIBPZSA-N 444.585 5.583 0 40 IKAB Cc1nn(Cc2ccc(C(=O)N3c4ccc(F)cc4CC[C@H]3C)o2)c(C)c1Br 2463945 CKTMCUVQVQQRMC-GFCCVEGCSA-N 446.320 5.024 0 40 IKAB CC(C)Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c3ccccc3n2)cc1 2759177 GTPNKXSETPEYAW-UHFFFAOYSA-N 428.963 6.684 0 40 IKAB CC(C)COP(=O)(OCCOP(=O)(OCC(C)C)OCC(C)C)OCC(C)C 4705693 LAANCYJYMQVVHV-UHFFFAOYSA-N 446.458 5.926 0 40 IKAB C[C@@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4722965 OFMXGFHWLZPCFL-HROASSOFSA-N 426.729 8.457 0 40 IKAB COCCN(C(=O)c1ccccc1)[C@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 6006908 LLMJEIVNXZCLQJ-FQEVSTJZSA-N 438.618 5.424 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@@H](c1cccs1)N1CCCC1 6182378 GXFLAVSLENXMFS-CJAUYULYSA-N 442.588 5.314 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 6200381 XISMDLGZMIRUTE-KNEUKCCGSA-N 426.004 5.536 0 40 IKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(Cl)cc2)cc1 6472296 ZQDZBEBYUVKNMY-OAQYLSRUSA-N 438.877 5.682 0 40 IKAB CCc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(CC)cc23)cc1 8605078 KQWVFIXOZNIVLB-UHFFFAOYSA-N 429.541 5.423 0 40 IKAB aggregator CCCCCCn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752896 HUQAYMYGBPQDMJ-KRWDZBQOSA-N 429.486 6.156 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)o2)cc1 8812539 BGRANHISFGGHRC-UHFFFAOYSA-N 446.370 5.527 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 9056232 PACIZCCLIJTIEQ-UHFFFAOYSA-N 435.907 5.237 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1C1CC1)N(c1ccccc1)C1CCCCC1 9252382 LNISTBKHHVWXGU-UHFFFAOYSA-N 433.581 5.133 0 40 IKAB CN(C)C(=O)Oc1cc(OCc2ccccc2F)c2c(=O)cc(-c3ccccc3)oc2c1 9305700 BNTLDTCOJASORX-UHFFFAOYSA-N 433.435 5.239 0 40 IKAB biogenic CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OC)cc1 9308997 VGAGONHSSUXQGV-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(Cl)cc2)oc2ccccc12)c1ccc2c(c1)OCO2 9414114 ZBFHMYABUSGSEX-UHFFFAOYSA-N 434.835 5.320 0 40 IKAB Cc1cc(C)c2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)sc2c1 9543810 KPNVFVVJQRQNLO-UHFFFAOYSA-N 441.600 5.394 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2C2CCCCC2)cc1 9545254 BQLYVPXHQOYVIG-UHFFFAOYSA-N 436.581 5.498 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9593245 ICSKRVZPIYRMIF-CYBMUJFWSA-N 442.997 5.324 0 40 IKAB Cc1cccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 9817223 LKEXHUTYEFWQLL-UHFFFAOYSA-N 440.878 5.287 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 9867831 MGIBHOQSTIRQLE-LBPRGKRZSA-N 433.327 5.261 0 40 IKAB COc1ccc(C(=O)[C@H](Oc2ccc3c4c(c(=O)oc3c2)CCC4)c2ccccc2)cc1F 11866542 KQCMJONRVBMLTH-AREMUKBSSA-N 444.458 5.432 0 40 IKAB CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nn2)cc1 12140465 KNSGCAVVYMXNBY-UHFFFAOYSA-N 433.455 5.292 0 40 IKAB CCOc1ccc(-c2ccc(=O)n(CCCC(=O)Nc3cc(Cl)ccc3Cl)n2)cc1 12441071 HBXTXSIHDJBIIS-UHFFFAOYSA-N 446.334 5.035 0 40 IKAB COc1cc(-c2oc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 12539018 WTYCOABUVSRBGG-UHFFFAOYSA-N 426.472 6.183 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 12548966 UVWGKYLODFTVNF-FCORRRHLSA-N 434.411 5.800 0 40 IKAB FC(F)Oc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@H]2CCCO2)cc1 12550668 NSPIYPYUKKDJER-FRXIXPCJSA-N 442.487 5.976 0 40 IKAB CN(Cc1ccc(F)cc1F)C(=O)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 12861161 GTNXFDWBZIIGKT-IBGZPJMESA-N 425.504 5.481 0 40 IKAB CC(C)[C@@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCCO2 13096601 ZTAATQDLTIWCSD-OAQYLSRUSA-N 440.392 5.760 0 40 IKAB O=C(CSc1nc2ccccc2o1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 13118126 IBVCISLXJVSYJT-UHFFFAOYSA-N 435.574 5.489 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c1 13146531 JVYWYWMNHYEULR-UHFFFAOYSA-N 444.556 5.988 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)n2c(nc3ccccc32)N1 13635017 MIQHAXRLDLWIIT-RUZDIDTESA-N 439.515 6.069 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1 14270475 ZXTGHMIPMAZPOW-UHFFFAOYSA-N 447.585 5.797 0 40 IKAB COc1cn(CC(=O)Nc2ccc(C)cc2C)c(CSc2ccc(Cl)cc2)cc1=O 15883909 ARMRZKOJDCZROC-UHFFFAOYSA-N 442.968 5.058 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 16226813 ZYTQRQKEKDVUCJ-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nccn2nc(-c3ccc(F)cc3)cc12 16841456 CQWHEMJMPGBRQL-UHFFFAOYSA-N 426.904 5.228 0 40 IKAB CCc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 16902544 NMDVGPXOXYWAQB-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)cc3n2)cc1 17099291 CSFZCLNYIRLAKY-UHFFFAOYSA-N 434.927 5.271 0 40 IKAB COC(=O)c1c(COC(=O)c2cccnc2Cl)nc2ccccc2c1-c1ccccc1 17526958 KNNAEMUETCSHLD-UHFFFAOYSA-N 432.863 5.094 0 40 IKAB CCc1oc2ccccc2c1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 19521357 WKYZAVFTGFUEMZ-UQBPGWFLSA-N 433.596 5.506 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 20493877 VLHAEXNGHOSRCR-SQHAQQRYSA-N 444.600 5.650 0 40 IKAB O=C(NC[C@@H](SCc1ccccc1)c1ccccc1)c1ccccc1Br 20522879 OOKABLMPSIWFRC-OAQYLSRUSA-N 426.379 5.854 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c1 21579322 VDRDTVDWSCDILT-NTCAYCPXSA-N 436.467 6.415 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1cccc(Br)c1 22072571 NYHOARUDDJGCFZ-UHFFFAOYSA-N 437.124 6.147 0 40 IKAB O=C(OCc1coc(-c2cccs2)n1)c1cc(Br)c(Br)s1 23645092 JLHDKHXMJFUWAL-UHFFFAOYSA-N 449.145 5.347 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)c1ccc(OC(F)F)cc1 25394348 IQQWBEVXVXQVER-UHFFFAOYSA-N 438.499 5.855 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 26491990 MGUHZUJSMJNXKV-JOCHJYFZSA-N 437.565 5.111 0 40 IKAB Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 30751283 DOAJGDQJIPQZCL-HNNXBMFYSA-N 448.348 5.084 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 32895254 UHRCTZGVRVGCOC-QFIPXVFZSA-N 437.515 5.923 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccc(F)cc2)o1)C(c1ccccc1)c1ccccc1 32911255 HJRWSSJFZPAXBQ-UHFFFAOYSA-N 433.508 5.216 0 40 IKAB Clc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(Cl)c1 35840085 PKXCNJHFJQDZEJ-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB COc1ccc(OC)c(-c2cc(C(F)(F)F)c3c(-c4ccc5c(c4)OCO5)noc3n2)c1 36617476 FINXLUWZBGRNML-UHFFFAOYSA-N 444.365 5.322 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38837550 NKRRUGZOWKZYTQ-IBGZPJMESA-N 437.436 5.255 0 40 IKAB CN(C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1ccccn1 40135591 NCFDZWFYSGNEAR-NDEPHWFRSA-N 435.571 6.035 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccccc2SCc2ccccc2)ccc1Cl 44902227 ZQDGAGZHTHYTHN-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCCc3ccc(F)c(C)c3)C2)n1 72375045 HXNDUDMDAYDJAP-NRFANRHFSA-N 447.558 5.100 0 40 IKAB Cc1ccc(C2=NN(C(=O)c3ccc(F)cc3)[C@@H](c3ccc(Br)cc3)C2)o1 79046930 VTPDMBROLUVADC-LJQANCHMSA-N 427.273 5.481 0 40 IKAB COc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(N4CCCC4)n3)CC2)cc1 96099996 PSFROVXMBKJSER-UHFFFAOYSA-N 433.600 5.001 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c1 101532339 FRBDFGGZBPEKEX-FIXDAVPBSA-N 428.576 6.244 0 40 IKAB Cc1cc2c(cc1C)N(CC(=O)Nc1ccc(F)c(F)c1)C(=O)CC(c1cccs1)=N2 101947975 JFXRSAJGVCJKFV-UHFFFAOYSA-N 439.487 5.139 0 40 IKAB CC(=O)Oc1cc(C)cc2c1[C@]1(C)CC[C@@H]3[C@H](CC[C@H]4C[C@@H](OC(C)=O)CC[C@@]43C)[C@@H]1C2 104387369 NJDMULFSFVYYPR-JVEYZHRNSA-N 438.608 5.908 0 40 IKAB C[C@@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(F)c(Cl)c1 195624997 CUGRQVGYVLMZNX-SNVBAGLBSA-N 429.776 5.314 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214423444 SRUXYGSDWNGFIM-BUESGFEBSA-N 436.360 6.407 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222573116 MLXMIMAYNSBZDG-IBGZPJMESA-N 434.967 5.025 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)S1 222624822 LTXHGWZFKUHNND-GKCIPKSASA-N 439.382 5.224 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 222800742 UARFSXNBNIEBJM-NRFANRHFSA-N 435.395 5.176 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)Nc1ccccc1 222932834 YKNJVOVAUSQYRM-LJQANCHMSA-N 448.588 5.166 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 223074401 DHLKSAOHAOVPGS-VXKWHMMOSA-N 441.984 5.312 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccc(I)cc2)c2ccccc2O1 223124262 DISSLWFDGAKSFG-KRWDZBQOSA-N 435.305 5.104 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224050444 LPZBCSXPAHCLMK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)c1 224290169 AFSHNUVEFMYJMX-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224311191 PRZSSRNTTSRVJX-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224407512 HLKJGZXNLRUMEZ-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCC1 224600046 MYOIHIDYPPYGPF-ZEQRLZLVSA-N 432.593 5.498 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)[nH]1 224627337 VNORILRAVPJSJC-DQEYMECFSA-N 440.572 5.996 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C 225478312 CGRQBKJNPDOTAU-SFHVURJKSA-N 433.017 5.073 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(Br)c1 225803617 BXSIFCBWYNFBPU-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB COc1ccccc1[C@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 225824327 YCXGDJMPWKZXRQ-QFIPXVFZSA-N 442.603 5.641 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1C(F)(F)F 225955519 PQKSXVMPAAEZAN-UHFFFAOYSA-N 441.877 5.833 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@H]2O 245238293 IVXHYDUXTYURSY-ISAMVGCQSA-N 446.553 6.383 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)CC1 257225770 FHSMESNPSTVENL-UHFFFAOYSA-N 446.616 5.406 0 40 IKAB CC(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257282694 OUVMWSQKYRUXQB-XMSQKQJNSA-N 434.411 5.647 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 408977837 FVXAADZDCJAVRN-QFIPXVFZSA-N 442.968 5.005 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2ccc(F)cc2)=N1 408988046 GRYDWHIPYKTLMM-HSZRJFAPSA-N 431.536 5.672 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1C 409096427 JSUPLUFAPYLRGL-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409116176 LATFGLWGEBELPF-XMMPIXPASA-N 436.964 5.044 0 40 IKAB Cc1ccc(COc2ccc(C[C@@H]3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 409149327 BOMSZTUTAIZJAH-QHCPKHFHSA-N 435.520 5.520 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1C 409178026 DIUONCKGSCAAEQ-AREMUKBSSA-N 449.934 5.843 0 40 IKAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1 409215399 XWAJXWZKOVCDND-FQEVSTJZSA-N 448.636 5.108 0 40 IKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3cccc(Cl)c3)n2)c1 585265009 DVCDPKRZKPEWAI-UHFFFAOYSA-N 427.884 5.475 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 820909 UUCPGQGQBLTFRC-BBITVKMKSA-N 449.337 5.255 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c1 863704 CTVNSHPXIPERFH-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB C[C@H]1CC[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 885399 NFBZLNYJLUCADR-KBPBESRZSA-N 435.515 5.000 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(NC(=O)c4ccco4)c3)cc12 897636 LFCBMUFSXAKUHA-UHFFFAOYSA-N 442.500 5.493 0 40 IKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3C)n2)cc1 929106 BZCVLLWODSMHKW-UHFFFAOYSA-N 428.557 6.017 0 40 IKAB Cc1ccc(S(=O)(=O)c2cc(C(F)(F)F)cnc2C(=O)c2ccc(Cl)cc2)cc1 1392184 DKLARJVYTKFUMI-UHFFFAOYSA-N 439.842 5.126 0 40 IKAB CCOc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCCC2)cc1 1448840 ZPNVPXINAFMWKW-HSZRJFAPSA-N 438.593 6.184 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 1864300 AOYJGIFIPIBUMK-CYBMUJFWSA-N 440.330 6.962 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)nc2c1 2145405 BMQXGWCSNPHUTM-UHFFFAOYSA-N 449.507 5.590 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC[C@H](C(C)(C)C)C3 2320128 GISGDUUHFDHJLQ-SFHVURJKSA-N 440.678 6.550 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCc3ccccc3)c3nc4ccccc4nc32)c1 2413979 WHWUYZCKMBWUAY-IBGZPJMESA-N 449.558 5.215 0 40 IKAB S=c1sc(SCc2csc(-c3ccccc3)n2)nn1-c1ccc(Cl)cc1 2646860 OCYYIAFCYXNROJ-UHFFFAOYSA-N 434.036 6.732 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)[nH]c2-c2ccccc2)cc1 2687093 UEGWACPFTJUWQP-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2nc3ccccc3s2)s1 2699330 PUNFHUGJYHJWHK-UHFFFAOYSA-N 438.883 6.949 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nccc(-c2ccc(Br)cc2)n1 2806787 QRRCUTFTMBHFIR-UHFFFAOYSA-N 448.773 5.599 0 40 IKAB O=C(CSc1nc(NCc2ccco2)c2ccccc2n1)c1ccc(Cl)c(Cl)c1 2948671 YLXCOBMDPSJMRB-UHFFFAOYSA-N 444.343 6.117 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CSc1c(Cl)cccc1Cl 3133638 XCLDXMXNWCOXKN-UHFFFAOYSA-N 447.770 7.916 0 40 IKAB CC(=O)Oc1ccc(-c2ccc(C(=O)N3c4ccccc4Sc4ccccc43)cc2)cc1 3215781 YSOJCHZOLNJCEJ-UHFFFAOYSA-N 437.520 6.722 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ncccc3o2)cc1 4090933 AEAGXKRHDZILDX-LFYBBSHMSA-N 434.908 5.070 0 40 IKAB C[C@H]1CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2[C@@H]1C 5274061 XUARCIYIVXVTAE-LYASJYEHSA-N 442.728 6.997 0 40 IKAB CC1(C)[C@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1 6681168 QXOZXBNHYGEBIF-NRFANRHFSA-N 434.625 5.228 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1C 8439287 ILDBWDLKVIPFDS-UHFFFAOYSA-N 433.529 5.831 0 40 IKAB Cc1cc(C)c(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)c(C)c1 8711265 YYXFIKAMYAANTE-UHFFFAOYSA-N 430.573 6.035 0 40 IKAB Cc1ccc(NC(=O)Nc2nc(C)c(C(=O)NCCc3ccc(Cl)cc3)s2)cc1 8771631 WEQFEJBWZPWJPE-UHFFFAOYSA-N 428.945 5.030 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(OC(F)F)cc2)N1 9086969 CZHNDEWIBYVIKE-NRFANRHFSA-N 432.430 5.087 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N[C@H](Cc1ccccc1)c1ccccc1 9222151 FADZCWZPGVPARO-OAQYLSRUSA-N 433.508 5.068 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1OC 9420527 RAMIVDJSJYBQJB-UHFFFAOYSA-N 443.253 5.120 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CN1CCC(C)CC1 9425616 ZWWYHUGONREJDQ-UHFFFAOYSA-N 434.652 5.528 0 40 IKAB O=c1c(N2CCN(c3ccccc3Cl)CC2)csc2ccc(Br)cc12 9569121 GBQGAKKHXKYDOF-UHFFFAOYSA-N 435.774 5.004 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(F)cc2)c2ccccc2S1(=O)=O 9663921 NRTVVYZYALJPSR-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB Cc1cccn2c(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)c(-c3ccccc3)nc12 9670101 DAOLDJGAMMYLAH-QFIPXVFZSA-N 427.504 5.120 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)cc1 9751398 DAFLJEAWWCZVRB-UHFFFAOYSA-N 449.576 5.482 0 40 IKAB COc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 9847537 LGJVIOPPMDGVIU-UHFFFAOYSA-N 449.503 5.063 0 40 IKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cncc(Br)c1 9885343 HCUSFIXIXCGLRT-NRFANRHFSA-N 435.277 5.106 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C 10014926 BHRBMCNXZAOIED-UHFFFAOYSA-N 426.542 5.166 0 40 IKAB COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)CCSc3ccc(F)cc3)nc12 10875098 YVANYZJVEUSALT-MRXNPFEDSA-N 446.569 5.138 0 40 IKAB COc1ccc(-c2c(C)c3cc(OCC(=O)Nc4cc(C)cc(C)c4)ccc3oc2=O)cc1 11865083 JCJKYVBAZNAJOB-UHFFFAOYSA-N 443.499 5.411 0 40 IKAB biogenic COc1ccc(-c2cncnc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC 11866290 YUBGFHAJLAXCRB-UHFFFAOYSA-N 428.488 5.421 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 12447116 PULGFEKFXJHJFM-AREMUKBSSA-N 430.573 5.372 0 40 IKAB CCOc1ccc(-n2c(S[C@@H](C)C(=O)N(C)c3ccccc3)nc3ccccc32)cc1 12542866 XJKOKULOLLHHHR-SFHVURJKSA-N 431.561 5.568 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)NC2CCCCC2)cs1 12929626 PEDSARUILIUIJT-ZHACJKMWSA-N 437.487 5.309 0 40 IKAB COC(=O)c1ccc(CN(C)Cn2nc(Nc3ccc(C)c(Cl)c3)sc2=S)cc1 13017888 BMZZASGDAFOEMQ-UHFFFAOYSA-N 449.001 5.256 0 40 IKAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 13076272 VIUBDRVKUHDDJW-GFCCVEGCSA-N 435.332 5.230 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 13388512 GTPYPAIEWDYNHS-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)NC2CCCCC2)cc1OC 14608050 LWHBPEJRIUSWCR-HSZRJFAPSA-N 434.540 5.256 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4)n3C)ccc21 16788670 LMRMTHDRPXWKMI-UHFFFAOYSA-N 441.560 5.341 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(CC)cc4)nc3c2)cc1 17096601 GLLMTQORMOFTJP-UHFFFAOYSA-N 429.545 5.746 0 40 IKAB O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3Cl)CC[C@H]21 19349205 JSWXPAQKCRZCOD-VDKIKQQVSA-N 449.957 5.004 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cccc1C(=O)O 19648511 TUWDWDXVQOVSOE-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB CCc1ccccc1-n1c(=S)[nH]c2sc3c(c2c1=O)CCN(Cc1ccccc1)C3 19819709 POFLETHQGIEXAD-UHFFFAOYSA-N 433.602 5.230 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1cccc(Cl)c1)C2 20634872 XQJJELVWPPQJMB-INIZCTEOSA-N 429.911 5.346 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Sc1ccc(NC(=S)Nc2ccccc2)cc1 22528911 WDAXBIFOKVOIOZ-GOSISDBHSA-N 449.645 6.486 0 40 IKAB Cc1sc2nc(-c3ccccn3)nc(Oc3ccc(C(N)=O)cc3)c2c1-c1ccccc1 22807575 HUCGXPBLHKQIBA-UHFFFAOYSA-N 438.512 5.620 0 40 IKAB COC(=O)[C@H](OC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 23220874 AAAKYCNLLRCKCK-GOSISDBHSA-N 436.316 5.117 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(F)cc2)c2ccncc2)c1C 26770942 AXHODNNKUXJJJH-QHCPKHFHSA-N 431.536 6.353 0 40 IKAB COC(=O)c1cccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)c1 27912676 VFCRUTPIQGZAGQ-UHFFFAOYSA-N 438.549 5.367 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)CC1 30947141 FTOOAQJNBBDOGE-UHFFFAOYSA-N 442.647 6.639 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4c(c3)oc3ccccc34)o2)cc1C 33599528 WTSKQOVNKTZSEG-UHFFFAOYSA-N 440.524 6.590 0 40 IKAB Cc1ccc(Cn2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)cc1 34880250 HSCGMGRPJKRISG-UHFFFAOYSA-N 428.601 6.343 0 40 IKAB O=C1[C@H]2[C@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O[C@H]2c1ccccc1 36372328 IBONGHOLTHILSV-KUGJVLABSA-N 445.562 6.387 0 40 IKAB O=C(Cc1csc(-c2cccc(Oc3ccccc3)c2)n1)OCc1nnsc1Cl 39996288 JQXKLESYNGJUIG-UHFFFAOYSA-N 443.937 5.393 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40034360 GFMSSBZZKLJRSJ-GFCCVEGCSA-N 441.375 5.620 0 40 IKAB NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccc(OC(F)F)cc1 44088247 NBBXXCKCSNXEHW-UHFFFAOYSA-N 444.290 5.025 0 40 IKAB Cc1ccc(SCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44849716 NUNCYIYGAGJDHX-UHFFFAOYSA-N 431.601 6.644 0 40 IKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl 59300936 LTYXYVYQNDQNQI-UHFFFAOYSA-N 428.941 5.421 0 40 IKAB Cc1ccc(-n2nc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3c2=O)cc1 64949639 DQECKNNLCOFCLB-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB COc1ccc([C@H]2CC(c3c(O)ccc4c(C)cc(=O)oc34)=Nc3ccccc3N2)cc1O 68752401 DLTCPHBBTXCVBH-LJQANCHMSA-N 442.471 5.199 0 40 IKAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCC[C@@H]1Cc1cccc2ccccc12 71845483 KORNTTYATKFLDI-HSZRJFAPSA-N 433.983 5.338 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)sc1C 72375649 CMVSRRAJSDNQDY-NRFANRHFSA-N 438.572 5.724 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2nc(-c3ccccc3)no2)c1 95947046 UELGZRKZPODFFP-IBGZPJMESA-N 426.520 5.458 0 40 IKAB O=C(OCc1c(Cl)cccc1Br)c1c(Cl)cccc1Br 96234520 QARBRARCPMZYKW-UHFFFAOYSA-N 438.930 5.875 0 40 IKAB CCCOc1ccc([C@H](C2=C(O)CC(C)(C)C[C@@H]2O)C2C(=O)CC(C)(C)CC2=O)cc1 100511299 UCQZQYKKEPURTG-PGRDOPGGSA-N 428.569 5.126 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102716937 UJBZXYAFASJMCL-QRQCRPRQSA-N 432.476 5.314 0 40 IKAB CN(C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccc2ccccc2c1 108015025 JOSPHZTXDSQESB-UHFFFAOYSA-N 445.478 6.580 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223104485 XNOPRCVVTSFJAZ-NSHDSACASA-N 431.717 5.095 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 223311056 VOVIEQDQGFKFQC-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223358886 JQNPGTLZLXOQKJ-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223365698 RBZDAXCSBRUUJK-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223996228 LBYCMDAEXUPHLJ-UHFFFAOYSA-N 440.590 5.332 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 224018529 XMUZCLYQMGIOTO-GOSISDBHSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 224226415 GYEBSMMGDFFZTD-VWLOTQADSA-N 436.596 5.020 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 224509406 JZTWQRLCWQZJLA-JOCHJYFZSA-N 449.422 5.432 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224519122 PEUDOXLSXXDRAE-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1)c1ccc(-c2ccccc2)cc1 224540472 XAXIRMOHWUZCFN-UHFFFAOYSA-N 446.503 5.546 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 224939692 NNSWUIHKSMXIHZ-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225241792 PSZVEWZSFGSQNQ-XQNSMLJCSA-N 443.503 5.730 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225246706 BSTONTKLHNOBIY-CABCVRRESA-N 439.358 5.007 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NCCSCc1cccc(Cl)c1 225299918 KXQMABYKFISGNP-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225329204 XTPRZNIMLRZWLC-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 225574218 MJLQSNUJOHTWRB-RCZVLFRGSA-N 438.612 5.185 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl 225675523 UPIWNNGEOVAZOE-GOSISDBHSA-N 432.973 5.414 0 40 IKAB COc1cccc(-c2noc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)n2)c1 225825027 WDIPNRGUMHVXBB-UHFFFAOYSA-N 449.894 5.762 0 40 IKAB Cc1cccc(Cc2cncc([C@H]3CCCN3C(=O)C3(C)CCN(C4CCCC4)CC3)n2)c1 257310886 UHAUHIKXYFBEFM-AREMUKBSSA-N 446.639 5.084 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4[nH]nc5c4CCCCC5)C3)c2)cc1 257324934 WQUSMTNBCHJXKO-HXUWFJFHSA-N 444.579 5.077 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)c(C)c3)CC2=O)cc1Cl 408640823 IWYWQKPIMCUQCK-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2cc(Cl)ccc2C)n1 408697967 KLBPGVKKJCZYBB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(Cl)c2)c(C)c1 408698658 QZGMRUSOERKJBJ-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CC1CCCCC1 409146159 JZAOHLIBVDQLNR-LDADJPATSA-N 433.982 6.701 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Br)c(Cl)c1 409261169 BMBOUXRGRLKSSN-UHFFFAOYSA-N 439.589 6.281 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262911 OXZXLMFEQWGJET-QGZVFWFLSA-N 434.902 5.209 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4cccc(F)c4[nH]3)o2)c1 1848353963 BEEATMCBGJMYMC-QFIPXVFZSA-N 433.483 5.262 0 40 IKAB CCOc1cc(C(=S)N2CCCCC2)ccc1OC(=O)c1ccc(Br)cc1 866298 YYGJBFADDQRFQO-UHFFFAOYSA-N 448.382 5.228 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c2c1C 888563 VYPGTCFDHNCZRZ-UHFFFAOYSA-N 447.010 5.816 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 894958 YMXDYXIJJCBIBK-NRFANRHFSA-N 449.620 5.085 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)o2)c(C)c1 905479 MAJWJZLEYORSBD-UHFFFAOYSA-N 438.597 5.218 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)cc2c1 916786 IGGVYDLTJAWCCL-GOSISDBHSA-N 445.588 5.321 0 40 IKAB O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)n1nnc2ccccc21 997027 QSTGLHXJIJMRQF-UHFFFAOYSA-N 429.277 5.098 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 1904741 DPJWSTUVOMIBJC-LLVKDONJSA-N 442.364 5.374 0 40 IKAB O=C(OCc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2079630 LIQTWPDYTJYEKL-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB CCCCC(=O)N(c1ccc(OC)cc1)c1nc(-c2ccc(OC)cc2)c(CCC)s1 2170736 ZWCGBADOZFXQFV-UHFFFAOYSA-N 438.593 6.635 0 40 IKAB CCOC(=O)c1nn(-c2cccc(Cl)c2)c(-c2ccccc2)c1C(=O)c1ccccc1 2181181 JDHMWTFDIALPNK-UHFFFAOYSA-N 430.891 5.600 0 40 IKAB CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(OC)cc2)c(=O)c2ccccc21 2339149 IWDUEGCEGWBOKB-UHFFFAOYSA-N 432.907 5.603 0 40 IKAB CC[C@H](C)c1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 2374944 HDHHGMYOPCSRJB-SJORKVTESA-N 430.552 5.872 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2399959 YRHGQWHOGNYDPR-XMSQKQJNSA-N 437.923 5.294 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 2407503 LDJCJVRUYSUWBE-LJQANCHMSA-N 426.255 5.438 0 40 IKAB Cc1oc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2416877 ZPBYZTMFVSLTKC-UHFFFAOYSA-N 446.930 6.939 0 40 IKAB biogenic COc1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 2444269 PKFKVEMFAFPTBT-UHFFFAOYSA-N 438.940 5.122 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccccc2C)c1C 2757288 HECJKYYOLGUSPC-UHFFFAOYSA-N 440.496 5.185 0 40 IKAB CCOc1cc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1 3667619 YAFAWYDHWFQVFE-QNGOZBTKSA-N 436.577 5.055 0 40 IKAB CCCCCc1ccc(-c2ccc(C(=O)Nc3ccc(C)cc3Br)cc2)nc1 4427759 SDYLPPWIZACWAZ-UHFFFAOYSA-N 437.381 6.805 0 40 IKAB FC(F)(F)c1cccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1 6143840 RAAGLASBULNXJY-UHFFFAOYSA-N 437.284 6.435 0 40 IKAB COc1ccccc1-c1nc(COC(=O)c2c(Cl)ccc(Cl)c2Cl)cs1 8628998 NLBMOBJUQVJROJ-UHFFFAOYSA-N 428.724 6.136 0 40 IKAB O=C(Nc1ccc2nc(SCC(=O)N3CCc4ccccc43)sc2c1)c1ccccc1 8673992 SNBIQFKLMUZFBI-UHFFFAOYSA-N 445.569 5.230 0 40 IKAB aggregator COc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)c(OC)c1 8715795 JWQAVQVYXUENSC-DEOSSOPVSA-N 445.906 5.497 0 40 IKAB O=C(Nc1ccccc1O)C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 8751741 JCNMKBYABXAYLT-UHFFFAOYSA-N 448.523 5.058 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 8755005 BJPDVJNZLYNLIF-LJQANCHMSA-N 445.950 5.598 0 40 IKAB O=C(CCCc1nc2ccccc2s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 8777540 WIDQUHIZIVUHTB-UHFFFAOYSA-N 431.565 5.243 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8928015 MCQJHOTVEWZZJM-LJQANCHMSA-N 447.482 5.834 0 40 IKAB O=C(Oc1cccc2cc(OC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc12)[C@@H]1C[C@@H]1c1ccccc1 8935051 VCVLKSXOJNCUEV-FICKONGGSA-N 448.518 6.258 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 9449283 HRRJKVFUHARFNS-INIZCTEOSA-N 434.923 6.679 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9461918 PIOHOGWQWQBQPL-OAHLLOKOSA-N 435.480 5.787 0 40 IKAB CCCn1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 9461948 NIESRYGYRRACQR-AWEZNQCLSA-N 432.952 5.575 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)C1CCCCC1 9471124 XABUIMOQRNQLQW-UHFFFAOYSA-N 442.535 5.096 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 9562229 QZZNVAKDIZHTPN-IIBYNOLFSA-N 431.565 5.548 0 40 IKAB C[C@@H]1CCCCN1C(=S)SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9849794 DBFKRACRFPSERW-OAHLLOKOSA-N 447.025 5.402 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2C)cc1 10328617 QRNTYJQHWNHZIQ-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB COc1cc(CCC(=O)N(C)[C@@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC 10802795 XOGPDAZFIJDJBF-VWLOTQADSA-N 437.511 5.032 0 40 IKAB CN(C(=O)C1CCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12326102 OFMOKFVALUKGMW-UHFFFAOYSA-N 437.609 5.433 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2C2CC2)c(C)n1Cc1ccccc1 12567152 CSEZTADDEHVHTF-UHFFFAOYSA-N 443.576 5.117 0 40 IKAB CCCCCNC(=O)OC[C@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12654503 BTQCHPRUVKAYMZ-RFGDRXHWSA-N 429.557 5.238 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCc1cc(-c2ccc(Cl)cc2)on1 12725790 NCUHLQZIHVJKFP-UHFFFAOYSA-N 429.259 5.969 0 40 IKAB O=C(C[C@H](c1ccccc1)c1cc(Cl)ccc1O)NCC1(c2ccccc2)CCOCC1 13682968 ZNHNSVVPVGPFFS-HSZRJFAPSA-N 449.978 5.432 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2ncccc12 13856270 SCNUHFOXEWPNKF-UHFFFAOYSA-N 436.103 5.021 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1C 14664145 NIGDHJIXRMVSMX-UHFFFAOYSA-N 449.016 5.200 0 40 IKAB CSc1ncc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)n1-c1ccc(F)cc1 15318047 CWHBZAYIHYUDSZ-UHFFFAOYSA-N 427.835 5.240 0 40 IKAB O=C(c1ccc(Br)cc1)c1ccc(N(c2ccccc2)c2ccccc2)s1 16488053 QEPDSTSRDGHGLP-UHFFFAOYSA-N 434.358 7.211 0 40 IKAB CC(=O)NCc1ccc(C(=O)CSc2ncc(-c3ccccc3)n2-c2ccccc2)s1 16684501 KSVOBKNPYINQKW-UHFFFAOYSA-N 447.585 5.212 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccccc2N2CCC(C)CC2)c1 17094565 DKLDABBNZMLTDK-UHFFFAOYSA-N 425.598 5.085 0 40 IKAB Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17097818 IAYOZJFJDDFQSC-FNORWQNLSA-N 432.332 5.483 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)ccc2Cl)cc1 17099315 XJYQQOVSRXQBMY-UHFFFAOYSA-N 434.945 5.124 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3)nc2c1 17103155 LRGVYLNFKFITSF-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB O=C(CSc1nnc(-c2ccc3ccccc3n2)s1)Nc1ccnc2ccccc12 18191223 UGEWZXXBYKSAAK-UHFFFAOYSA-N 429.530 5.032 0 40 IKAB O=C1N(Cc2ccc(Cl)cc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 19625005 UAKNYQSPCCKKPL-UHFFFAOYSA-N 441.914 5.632 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19704293 HGVKFRBLBICYBS-JOCHJYFZSA-N 435.616 5.496 0 40 IKAB COc1ccccc1-c1noc(CCCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)n1 19816361 ZSGXFBUCEOBNCG-UHFFFAOYSA-N 425.488 5.278 0 40 IKAB Cc1ccccc1[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 20491013 SQAGUBQWQPVXJX-JOCHJYFZSA-N 444.756 5.696 0 40 IKAB Cc1ccccc1[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 20492722 BWWPRCOYKQGVKO-XMMPIXPASA-N 438.365 5.659 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 20611009 AFNNAGQITMWDRZ-MRXNPFEDSA-N 434.927 5.812 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)c2ccc(Cl)cc2O)cs1 23645124 NDLHSMLDYDGXHG-UHFFFAOYSA-N 437.304 5.197 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccccc4Cl)ncnc3[C@H]2C2=C1CCC2 26464419 SHQASUGBCQYCKT-DENIHFKCSA-N 442.053 7.063 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3cc(C)ccc3c2C)c2c[nH]c3ccccc23)cc1 27794281 XNVNELFWZPCCTG-HSZRJFAPSA-N 438.527 6.101 0 40 IKAB COc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1OC 33021919 OCOIXIYXWGNRSI-UHFFFAOYSA-N 440.912 5.157 0 40 IKAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 33536743 VMALSXWFOQNZEP-UHFFFAOYSA-N 425.768 6.714 0 40 IKAB COc1ccc(OC)c(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)c1 35644612 MZXLHEJEKMXVQX-LZYBPNLTSA-N 442.846 5.268 0 40 IKAB CCCCc1ccc(NC(=O)c2sc3ncn(Cc4ccccc4)c(=O)c3c2C)cc1 35672011 LDCGRDLSZVJYGX-UHFFFAOYSA-N 431.561 5.410 0 40 IKAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 38833084 NZYWGAJSJHMIQY-RUZDIDTESA-N 432.995 5.781 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3cccc(Cl)c3)=NC23CCCCCC3)cc1 45932874 HVZLIFRURCMMMY-UHFFFAOYSA-N 426.969 5.672 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1cc(F)ccc1Cl 57486722 ITQHSJCOEDXCAH-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 59483211 BGKWPUZWFWVCRT-HHHXNRCGSA-N 442.603 7.324 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5ccc(Cl)cc5)c(=O)c4c3C)n2)c1 67260300 YQEQLXHWEVQXRU-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB COc1ccc(Oc2ncccc2NC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)cc1 70004589 SINSUPPJIBAZPU-QFIPXVFZSA-N 449.507 5.269 0 40 IKAB CCOc1ccc2ccccc2c1C(=O)NCC1CCN(c2nc3ccccc3o2)CC1 70932331 QHLQKHVSTRJLIB-UHFFFAOYSA-N 429.520 5.026 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)n1 72353413 MOCGEPYIPSBEFV-FQEVSTJZSA-N 449.986 5.224 0 40 IKAB Clc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 102683232 ZDVFMUKSJKBTKY-IRLDBZIGSA-N 429.734 6.889 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2 103159528 ZEEBCJUOMAGHTR-NEPXVJNWSA-N 427.504 5.704 0 40 IKAB CN(C)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@@H]2C(C)(C)N(C)C)C1 118923226 YQHUMJXBHFISTA-FTBIRWDXSA-N 446.720 5.459 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214388691 HTSOKVRVPYJCBV-VIZOYTHASA-N 432.250 6.249 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 223054698 YARNPBNFPZZWLC-VWLOTQADSA-N 448.588 5.247 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223128713 IMBBDSNRWKSTLI-BWAHOGKJSA-N 438.483 5.268 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 223489301 GCBXQDIDRJONSN-GOTSBHOMSA-N 445.979 5.093 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223806204 VLVBSJNISSYTSL-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc2c3c(cccc13)CC2 224119517 ZJGKVQBUSMDRMT-UHFFFAOYSA-N 442.540 5.019 0 40 IKAB CCOc1ccc(C(=O)N2CCCCCC2)cc1COc1ccc(-c2ccccc2)cc1 224558002 XEKVXLYIHVEJGS-UHFFFAOYSA-N 429.560 6.348 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1CSc1ccccc1 224649657 NAFMARAPPLAQKM-UHFFFAOYSA-N 446.399 6.614 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224671736 GZMYKUJVOIAMAZ-JOCHJYFZSA-N 434.624 5.609 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224730972 MTNBQAJLDGKTOT-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 225121008 AIVYURSCQFTOMV-UHFFFAOYSA-N 427.378 5.262 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 225460856 VSEAPKJRUKFQDH-ULJHMMPZSA-N 446.572 5.788 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CC 225634677 ZECVTYLTBLAGTA-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 225781888 KPOBTJOEHHZWLC-LJQANCHMSA-N 433.548 5.713 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(Br)cc1 225831601 DQSJPIBAMIKTBK-UHFFFAOYSA-N 448.320 5.737 0 40 IKAB Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 252695310 YAWXGPAFXBXPKZ-IWKCEXAMSA-N 449.850 6.599 0 40 IKAB COc1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(OC)cc1Cl 408574867 MANHZEDEWLKQGF-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408577112 RHYZLRCEQNGCTQ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCCCOc1ccc(Cl)cc1C(=O)OCC(=O)c1ccc(Br)cc1 408586545 NQQGYHNCFBTDJC-UHFFFAOYSA-N 425.706 5.321 0 40 IKAB Fc1cccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)c1 408603889 BZVWPOOAZOJKAW-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB CCOc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(OC)cc2)cc1 408625289 JDVNABUOVXMCHF-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB CCc1nnc(S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)O)o1 408631470 JIPRYIKYMBPSIU-STZFKDTASA-N 432.501 5.582 0 40 IKAB O=C(O)/C(=C/c1cc(Cl)cc(Cl)c1O)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632039 CTJQHXLIWHQKBR-MLPAPPSSSA-N 442.711 5.355 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(Cl)cc2)cc1 408698739 SATZTIAIBVKVJX-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408734849 GCVXOIRSOXIRJA-UHFFFAOYSA-N 448.570 6.976 0 40 IKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1cccc(Cl)c1 408972948 XEVCEFYMPZKUIY-XGICHPGQSA-N 443.138 6.859 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccccc2Cl)N[C@H]1c1ccccc1OCC 408987991 GOGDQHRNLVLTDY-NRFANRHFSA-N 444.984 5.510 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409077454 FDSBUKOIGWEFEG-PBSOMRJOSA-N 433.938 5.089 0 40 IKAB Cn1cc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)c2ccccc21 409163602 UUQQOJMNPLXDHW-VCHYOVAHSA-N 427.323 5.177 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccco1 409197959 SRAREZAWVLEVIJ-DQSJHHFOSA-N 436.536 6.422 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1C 409261954 FPTBFRROQSAJDI-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc(C)c(Cl)c2)cc1 409327068 HLJBIQVKENEDSU-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccsc1CN1CCC(N2C(=O)NCCc3ccccc3[C@H]2c2ccccc2)CC1 1615528784 CEGBGHPSIHOJNS-AREMUKBSSA-N 445.632 5.378 0 40 IKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3ccccc3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242590 BNDFCTMIMQTYJE-HSWFVFMJSA-N 438.575 5.270 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(-c3nnc(SCc4ccccc4F)n3C)cc2)cc1 624575 SAYBEVFNDMBWOB-UHFFFAOYSA-N 432.524 5.474 0 40 IKAB COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)c(OC)c1 646197 MXUZGBDQSKGCIW-VWLOTQADSA-N 432.545 6.020 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccc(Cl)cc4)sc3n2)c1 1309933 HDTACFAQHDSHQE-UHFFFAOYSA-N 437.952 5.180 0 40 IKAB O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)c1ccc(F)cc1 1339535 LIQSUCXXPGOWGA-UHFFFAOYSA-N 438.553 5.209 0 40 IKAB Cc1ccc(NC(=S)NP(=O)(Oc2ccccc2)Oc2ccccc2)c(Cl)c1 1751619 VLELXZFZJFQPAF-UHFFFAOYSA-N 432.869 6.201 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 1754657 BBZPBFPOVQBCKV-LJQANCHMSA-N 442.650 6.135 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccs2)sc(C)c1-c1ccccc1 1783112 WYSZVYJNDFIWGL-UHFFFAOYSA-N 430.576 5.089 0 40 IKAB Cc1ccc(NC2=C(Sc3ccc(Cl)cc3)C(=O)N(c3ccccc3)C2=O)c(C)c1 1806525 XWXLWNOWOUXONW-UHFFFAOYSA-N 434.948 5.946 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 1841951 APIOPLHMTHRFDN-OAHLLOKOSA-N 444.918 7.660 0 40 IKAB CC(C)c1ccc(OCC(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 2145274 CWLOCYYBMSHUPI-UHFFFAOYSA-N 446.016 5.346 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(Cc2ccc(F)cc2)c2nc3ccccc3nc12 2390476 DNOCWJIAGGFHPZ-KRWDZBQOSA-N 447.558 5.299 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(F)cc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2441212 IIHXTPJEMXZMQR-UHFFFAOYSA-N 427.479 5.216 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1Cc1ccccc1 2625514 NLPGWNZNQQXEJC-UHFFFAOYSA-N 440.572 5.466 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc3ccccc3c1)Nc1ccccc1-2 2745165 ALDZKVBZNBKFBV-HSZRJFAPSA-N 428.561 6.477 0 40 IKAB Cc1ccc(-n2nnnc2Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 3253056 HGQMBTVIQZMKJA-UHFFFAOYSA-N 436.953 5.447 0 40 IKAB COc1cccc(-c2nc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)o2)c1 3285864 VQEDXDNVLCOCBU-UHFFFAOYSA-N 434.517 5.104 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655476 ZRSBOMPGUAGFPY-CQSZACIVSA-N 437.854 5.862 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655482 QMUKABBAMFDGFG-UHFFFAOYSA-N 447.918 6.604 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N1CCCC(C)(C)C1 4028011 KMQXDOWOGVSCSC-GNMKXSIFSA-N 433.677 6.068 0 40 IKAB biogenic CCCCOP(=O)(OCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F 4289016 VBZGXFZYJSLYMP-UHFFFAOYSA-N 431.310 5.380 0 40 IKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(N2CCCC2)cc1 6161476 VYFIJYREDPSAFN-UHFFFAOYSA-N 429.442 5.774 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)O[C@@H](Cn1cncn1)c1ccc(Cl)cc1Cl 8653433 CTKKZQPFOCEYLC-INIZCTEOSA-N 446.121 5.882 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3cccs3)C[C@@H]21 8717754 ARGHYGFGSNWPKJ-QFIPXVFZSA-N 445.588 5.293 0 40 IKAB O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Br)cc1 8781973 RTEHUJJZCDHNLC-UHFFFAOYSA-N 449.757 6.397 0 40 IKAB CC(=O)CSc1nnc(-c2cc(-c3ccccc3)nc3ccccc23)n1CCC(C)C 8825825 LREUWBVJMIFSBG-UHFFFAOYSA-N 430.577 5.888 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 8869317 MYRQESFUPPWYEA-UHFFFAOYSA-N 433.485 5.259 0 40 IKAB C=Cc1ccc(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)cc1 8918350 KDUWYIVQEQBTBF-SQUITACLSA-N 434.532 6.096 0 40 IKAB Cc1cccc2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccc(F)cc3)nc12 8926544 JKJOWOUUYYOHCF-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB COc1cccc2cc(C(=O)N(CCCN(C)C)c3nc4cc(C)cc(C)c4s3)oc12 8960068 LKEZKVBQSPZKGJ-UHFFFAOYSA-N 437.565 5.266 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1 9064875 GDHRTPDYUDITEV-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCc1ccc(C(=O)Nc2ccccc2)cc1 9245764 AQLTXJIYTBQYIQ-UHFFFAOYSA-N 428.561 5.433 0 40 IKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 9281303 HEXHIPURBOUKGU-XMMPIXPASA-N 440.506 6.539 0 40 IKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccc(SC)c3)nc12 9708038 RVOSEBOHVNMARW-UHFFFAOYSA-N 435.574 5.659 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)COc1cc2ccccc2cc1C(=O)OC 12771782 CSIJKKXSHGGONV-UHFFFAOYSA-N 425.912 5.422 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)[C@H]3CCCN(C(=O)c4ccco4)C3)n2)cc1 12984446 ZRUHKVUFJXRBAI-KRWDZBQOSA-N 437.565 5.192 0 40 IKAB O=C([C@@H]1CC=CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13031157 GAQWBGNBQFAZQF-SJLPKXTDSA-N 447.398 5.441 0 40 IKAB C[C@@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccccc1Cl 13040157 YVCKDQZECZXWPR-GFCCVEGCSA-N 430.360 5.809 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)NCCC(C)C)nnc1-c1ccc(Cl)cc1 13134122 CAIDAOWFDJFMPD-UHFFFAOYSA-N 428.989 5.151 0 40 IKAB CC(=O)Nc1cccc(Oc2nc(CN3CCC(C)CC3)nc3sc4c(c23)CCC4)c1 13137463 ISDVVOVJTKZSCC-UHFFFAOYSA-N 436.581 5.163 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(Cl)cc4Cl)OC3=O)cc2)cc1 13928809 DVYQDIQGYMRCLG-UUYOSTAYSA-N 438.310 6.225 0 40 IKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)n(C)c2ccccc12 13942461 NOBYPPMMENNGFJ-HHHXNRCGSA-N 426.535 6.576 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)C(c1ccccc1)c1ccccc1 14270396 GHFQELPBUKKMPK-UHFFFAOYSA-N 442.540 5.084 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 14665317 OWBFLSLYRITAKY-FQEVSTJZSA-N 444.575 5.363 0 40 IKAB Fc1ccc(CN2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc4ccccc4c3)no2)cc1 15675656 XJCFEDRJEALPJR-QHCPKHFHSA-N 425.467 5.052 0 40 IKAB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 15880661 CFJNSQBRPRHEPA-UHFFFAOYSA-N 435.336 5.584 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4OC)ccc3o2)cc1 16692065 NNSCLJXGGNQFEE-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccc(C)cc3o2)cc1 17097520 MYSBHNBOIYSFJG-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17098288 QAHQPMZLXDCQLF-NTEUORMPSA-N 432.976 7.392 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 20063131 SRKVMVMWKSQSRZ-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)cc4)c3c2c1 20183430 XQTSELIBDYBNKU-UHFFFAOYSA-N 427.891 6.071 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCCC3)c2c1 20381560 BJBRTZREDYEMHZ-UHFFFAOYSA-N 430.957 5.110 0 40 IKAB C[C@@H]1Nc2nc3ccccc3n2C(c2cccc3ccccc23)=C1C(=O)Nc1ccccc1 20428814 DFABJIGWHQIWRJ-SFHVURJKSA-N 430.511 5.902 0 40 IKAB COc1cccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c1OC(C)C 20851422 DTIMRGFXFISWFS-QGZVFWFLSA-N 440.337 5.872 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccccc4n3)c2)cc1Cl 21156698 OPPMFXSLIAVCNY-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(Br)cc1)OCc1ccccc1 27232123 HDIXZVOUVQYQST-UHFFFAOYSA-N 448.320 6.051 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)Nc2cccc(C)c2)oc2ccccc12 27664487 OUCZHNDLEJRVEP-QGZVFWFLSA-N 444.487 5.408 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 30860925 UJCTYBFCGQOTOZ-QHCPKHFHSA-N 430.400 6.441 0 40 IKAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2ccccc2C(F)(F)F)cc1 32072569 UYRNDGCBKDXCBQ-KRWDZBQOSA-N 444.413 5.057 0 40 IKAB CCn1nnc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)n1 32617136 RFOGPEOCLJPXFM-UHFFFAOYSA-N 428.323 5.344 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N(C)Cc3c(C)nn(-c4ccccc4)c3C)o2)cc1 32721546 HIFAGAGEMCSRAM-UHFFFAOYSA-N 427.504 5.224 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 35374976 UTOFCBLBWKPJBK-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(C)Oc1ccc(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 36561685 IUNWHMUUIYJIMJ-UHFFFAOYSA-N 434.374 5.229 0 40 IKAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 39762455 BIQJKPUQVWUNOQ-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB C[C@@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@@H]1C 40199519 WJUHNDPIQIUKEY-NMTAGOJOSA-N 438.574 8.570 0 40 IKAB CCOC(=O)Cc1ccccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 41127406 QXBUKLRTLBGFDJ-UHFFFAOYSA-N 436.305 6.030 0 40 IKAB CCCOc1ccccc1Oc1ncccc1CNC(=O)Nc1ccc2c(c1)OCCCO2 58223048 QACAVOOHRXGUSO-UHFFFAOYSA-N 449.507 5.146 0 40 IKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(Cc1c(F)cccc1Cl)CO2 61997657 CFEZJHVZRGFEFZ-UHFFFAOYSA-N 435.882 5.913 0 40 IKAB biogenic COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)cc1Cl 62581167 CYUMYRMNKFVDJT-UHFFFAOYSA-N 438.314 6.107 0 40 IKAB CCOc1cc(-c2ccc(F)cc2)nc2ccc(NC(=O)c3ccc(OC)cc3OC)cc12 65033945 MGZLCXIYLPRCNS-UHFFFAOYSA-N 446.478 5.709 0 40 IKAB COc1cccc(-n2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)c1 67259241 GRUYEIWIGSPNNY-UHFFFAOYSA-N 426.900 5.479 0 40 IKAB COc1ccc(Oc2ncccc2NC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)cc1 70004585 SINSUPPJIBAZPU-JOCHJYFZSA-N 449.507 5.269 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 72215689 AOTSEATUGNNVQM-QHCPKHFHSA-N 449.595 6.133 0 40 IKAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccc(C)c(Cl)c1 101147929 HSHUEUUUGTWZJD-BEFAXECRSA-N 437.721 5.189 0 40 IKAB Cc1cc(C)c2nc(NC(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)sc2c1 102100324 LUBYLTWRNBRSDD-VKFLQFAXSA-N 433.415 5.976 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCc5nnc(-c6ccccc6)o5)(C4)C2)C3)cc1 102236043 YAGSQVUCLJWQNM-KDGKYOGISA-N 428.532 5.626 0 40 IKAB O=C(Nc1ccccc1)C1=Cc2ccccc2/C(=N/Nc2cc(Cl)ccc2Cl)C1=O 137490575 VCYBIENCKPXWDZ-HFTWOUSFSA-N 436.298 5.414 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3ccc(Br)cc3)cc(-c3ccccc3)c12 196822482 ABPUZCYPFBTUOZ-UHFFFAOYSA-N 440.344 6.825 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 222557677 DVTDHDYYFCCKSM-QFIPXVFZSA-N 447.044 5.463 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 222752455 STRCGOXZLULJOC-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 222998224 NJNKCXQDHMXBIA-IBGZPJMESA-N 447.044 5.464 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223364640 KDTCKDHAHCMNNY-XZOQPEGZSA-N 449.963 6.069 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1 223540197 DVUQMXFTOYAVAI-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CCC1(CC)C[C@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 223739018 OOLZNEYUTQKEKX-BEFAXECRSA-N 432.358 5.415 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223910444 NDUAWNBYTCVVLG-RPBOFIJWSA-N 440.572 5.585 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3)cc2)cc1 223997382 ZBVDCDNIRKKOIZ-KRWDZBQOSA-N 440.590 5.009 0 40 IKAB C[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl)c1ccccc1 224065062 AOORMQBHXWTVHD-AWEZNQCLSA-N 449.359 5.285 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 224106165 HCIHDLKNMJUJGZ-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)c1 224131973 WPXCGBUVMRTPMU-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)(C)C 224168573 MEVVGEWQAYDOGV-UHFFFAOYSA-N 431.576 6.947 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cc(C)cc(C)c1 224195569 HBALFHGIAGTBDD-UHFFFAOYSA-N 425.912 5.805 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccccc3C)c2)cc1 224339586 IJBSADLAOWJOKK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 225219561 POZDIAPQVCWGDP-HSZRJFAPSA-N 429.004 5.169 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225628603 MONUVAPHOZPCKK-CVDCTZTESA-N 429.004 5.303 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1O[C@@H](C)CC 225762558 FCEXQXZILORSOP-SFHVURJKSA-N 441.543 6.020 0 40 IKAB Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 226145792 YAWXGPAFXBXPKZ-RGIVZKHGSA-N 449.850 6.599 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@H](c3cc(-c4ccccc4)cc(C)n3)C1)CCCC2 257204136 ATDUZVSYZKPXPP-NRFANRHFSA-N 428.580 5.172 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(OC)cc2OC)cc(Cl)c1OCc1ccccc1 408557526 OJUHFWCKEIQTCM-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C 408568354 SVNCDPHSPCJUTK-UHFFFAOYSA-N 441.163 5.951 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 408616861 AFGYEAWQPAAQIP-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB O=C(O)/C(=C/c1cccn1-c1ccc(Br)cc1)Sc1nc2ccccc2o1 408631607 ABOQYCAIABJSKG-PDGQHHTCSA-N 441.306 5.599 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)cc1 408695664 RYTLDYDUQIXEIO-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2cccc(F)c2)c(Cl)c1 409104511 FNOJJMZHIGXPON-NVMNQCDNSA-N 447.815 6.570 0 40 IKAB CCOc1ccc2ccccc2c1C[C@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409146510 SMKSSWUZCSPZPD-OAQYLSRUSA-N 425.937 5.699 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)c1 409180006 SZXJKAVXRGCBAD-UHFFFAOYSA-N 429.299 5.921 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3ccccc3F)n(C)c2-c2ccc(OC)cc2)cc1 409198592 IFOJNWGRHYSQTB-RFBIWTDZSA-N 448.519 5.318 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@@H](C)CC)c(OCC)c2)C1=O 409234579 NXMQVMGJLKCXGW-JASJWYONSA-N 442.375 5.471 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c1 409360738 PRYBWFPQUGZFQO-HMAPJEAMSA-N 435.932 6.468 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1cccc(OCc2ccc(Cl)cc2)c1 409379611 YLVCUMBHCXBQLS-NRFANRHFSA-N 440.952 5.687 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NCC(C)C)cc2)cc1 409410623 YTYQWARUWLDHIL-UHFFFAOYSA-N 432.589 5.925 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@H](C(C)C)O[C@@H]2C(C)C 524733564 WCOFHAMHJJNIMX-UYAOXDASSA-N 445.581 5.480 0 40 IKAB CC(=O)N1CCCCCCCN(Cc2cccnc2)Cc2cc(-c3ccc(F)nc3)ccc21 643569715 BJYWXHJQVQLIPZ-UHFFFAOYSA-N 446.570 5.602 0 40 IKAB CN1CCCCCCN(C(=O)Cc2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582208 OIMNBTCAFORBFX-RSXGOPAZSA-N 448.607 5.094 0 40 IKAB CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 686956 UYXMAEWJDPJGRF-RUZDIDTESA-N 430.935 6.008 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CC[C@@H](C)C2 1102455 UTERMYOHYAIFSG-GFCCVEGCSA-N 441.471 5.086 0 40 IKAB Cc1cc(C)cc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 1365876 MMDUUONLKIQLTC-LJQANCHMSA-N 438.515 5.450 0 40 IKAB aggregator Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc2c1 1371402 OCWUGDIBGCZWFP-IBGZPJMESA-N 439.943 5.011 0 40 IKAB CC(C)(C)C(=O)CSc1nnc(-c2cccc(Br)c2)n1-c1ccccc1 1428322 XZLQEVNNNXOKSG-UHFFFAOYSA-N 430.371 5.404 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCc3ccc(Br)cc3)c3ccccc3n2)cc1 1858939 KOUHVCYMLWMTSA-UHFFFAOYSA-N 432.317 6.330 0 40 IKAB CCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc1OCC 1904441 KLUYSTSWTSLZHD-WUXMJOGZSA-N 428.941 5.913 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3cccc(C)c3)n2-c2ccccc2)cc1 2073965 JSUJBXWAGQSSHP-LJQANCHMSA-N 428.561 5.670 0 40 IKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)COc3ccc4ccccc4c3)c3ccccc32)cc1 2267535 UYACQEFFFUNEQS-WJOKGBTCSA-N 449.594 7.049 0 40 IKAB COC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)cc1 2295312 JILDSCROSJJBET-UHFFFAOYSA-N 434.293 5.590 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc(O)c3)sc2c1 2338962 QYFKXGWHVMPLEQ-OAQYLSRUSA-N 440.480 5.167 0 40 IKAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nnc1-c1ccc(C(C)(C)C)cc1 2443173 YJMAIQPMRDYEGM-UHFFFAOYSA-N 429.589 6.391 0 40 IKAB O=c1oc2c(Cl)cc(Cl)cc2c(-c2ccccc2)c1-c1ccc(Cl)cc1Cl 2576870 QYDDBBQRVUDKRF-UHFFFAOYSA-N 436.121 7.741 0 40 IKAB biogenic C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 2644698 OIXCJSWGTDLTJP-CYBMUJFWSA-N 428.355 5.271 0 40 IKAB COc1ccc(-n2c(S[C@@H](C(C)=O)c3ccccc3)nnc2-c2cccc(C)c2)cc1 2650907 UOJGYTAKSUBARK-QHCPKHFHSA-N 429.545 5.674 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1F 2721862 LKFWUUFEYMNWFK-UHFFFAOYSA-N 449.912 5.852 0 40 IKAB aggregator Brc1ccccc1OCc1ccc(-c2nc3c4ccsc4ncn3n2)cc1 2803140 KKNICBUBNPTJFD-UHFFFAOYSA-N 437.322 5.348 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)s1 3244228 QVEZGMZTUHQLRU-UHFFFAOYSA-N 440.830 5.599 0 40 IKAB Cc1cc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)n2c2ccccc12 3308135 RLMDQCLMXTXUCQ-UHFFFAOYSA-N 438.556 5.189 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccccc1SCC(=O)N1CCc2ccccc21 3415305 PECLQWBUPZSWIG-HSZRJFAPSA-N 442.584 5.175 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3)nc2c1 3770802 KOKXBKLRFQJTLH-UHFFFAOYSA-N 428.532 6.372 0 40 IKAB Cn1c2ccccc2c2nnc(SCCCCC(=O)Nc3cccc4ccccc34)nc21 6444410 PHOHZNNXGSVLSD-UHFFFAOYSA-N 441.560 5.571 0 40 IKAB COc1ccccc1-n1c(SCC(=O)c2ccccc2F)nnc1-c1cccs1 8747064 IZEJLQBIYPEABS-UHFFFAOYSA-N 425.510 5.119 0 40 IKAB COc1ccccc1CNC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 8855515 UDPNSAIXDWSRPZ-KRWDZBQOSA-N 429.545 5.102 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2cccnc12)c1cc(Cl)ccc1Cl 9108127 BEBYUPGCBGQMQG-UHFFFAOYSA-N 444.249 5.778 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)cc2C)cc1 9250245 DDEKLJWCWIEBBK-UHFFFAOYSA-N 447.604 5.861 0 40 IKAB CCc1ccc(NC(=O)Cc2cn(Cc3cc(OC)cc(OC)c3)c3ccccc23)cc1 9581865 IFOAWBMXJJUNQU-UHFFFAOYSA-N 428.532 5.450 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Nc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 9892765 OVBYRIYMGRERMW-SFHVURJKSA-N 439.523 5.106 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)NC12CC3CC(CC(C3)C1)C2 9908143 VHWOOWOOXGKEDG-UHFFFAOYSA-N 443.616 5.716 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cc2ccccc2o1 10587016 QJBQRWATAMQVTA-UHFFFAOYSA-N 430.554 6.902 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)c1ccccn1 11914475 MJLORMJPBBQPIB-UHFFFAOYSA-N 431.717 5.110 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)c(Br)c1 12808100 XOIXYGVZRXHCDS-UHFFFAOYSA-N 446.348 5.922 0 40 IKAB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(=O)Nc1ccc(N(C)C)cc1 13098459 DGQLHCVQSJKUMT-OAHLLOKOSA-N 434.590 5.544 0 40 IKAB COc1ccc([C@H](NC(=O)Cc2csc(-c3ccc(F)cc3)n2)c2ccccc2)cc1 13101942 KDGXUNBHOGWWOB-XMMPIXPASA-N 432.520 5.406 0 40 IKAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14013616 RSPBMUOSLOTIDH-SANMLTNESA-N 428.576 5.086 0 40 IKAB O=C(CSc1nncn1-c1ccccc1)Nc1nc(-c2ccc3ccccc3c2)cs1 14094475 SQHAMYMYVSROPT-UHFFFAOYSA-N 443.557 5.275 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(OCC(C)C)cc2)c1 14831541 AHYTUEOLEUWHNV-UHFFFAOYSA-N 447.988 5.240 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)CCCOc1ccc(Cl)cc1Cl 15906416 IBNCSKDJHIAUMN-GHTZIAJQSA-N 433.379 5.295 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@@H](C)CC)cc4)ccc3o2)cc1 17095963 XWUWQLRTLNUDNP-SFHVURJKSA-N 428.532 6.588 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 17099292 GXSNIRGXMCENLA-MRXNPFEDSA-N 434.927 5.605 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 17100464 SLVHISLTUVVRBE-UHFFFAOYSA-N 436.536 6.891 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1c(OCc2ccccc2)ccc2ccccc12 17296804 DMQFWNZFHTUUMJ-DEOSSOPVSA-N 446.572 5.117 0 40 IKAB Cc1ccc(C)c(Cc2ccc(C)cc2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c1 18194655 CQSAAXDJXDROEJ-UHFFFAOYSA-N 449.399 6.189 0 40 IKAB Cc1nc(CN(C)CC[C@@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698650 QCEVEDZMIGWCDJ-LJQANCHMSA-N 446.570 5.029 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)c(C)c1 20611057 RIHOOOIQSXSJOG-UHFFFAOYSA-N 441.579 5.753 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)/C=C/c3ccccc3)n2)cc1OC 22461674 QFQMENLXONJYNP-NTCAYCPXSA-N 427.460 5.073 0 40 IKAB CC(=O)Nc1cc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)ccc1F 24984768 PHBYSBIUXHUSQZ-OAQYLSRUSA-N 445.416 5.595 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C)C3)cc1C 33077520 WGGNRBZCBJSLOH-UHFFFAOYSA-N 433.602 5.882 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@H]2CCCC[C@@H]21 33935955 QYXSLVBHLXGBFP-CPUCHLNUSA-N 432.446 5.049 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 35196438 CJAFSGJMWMUDMF-CEWHCAETSA-N 439.461 5.388 0 40 IKAB CSc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1 38682242 PRRGBFZIIWWMRG-MKZVKBBESA-N 440.524 5.245 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 38834435 DWFJSIVFWQXLCO-UHFFFAOYSA-N 434.539 6.290 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccccc2Cl)CC1 39768144 WLPBKQBKCUJZFU-UHFFFAOYSA-N 437.008 6.342 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c1 59108645 KOZCEZUWXPTOAH-UHFFFAOYSA-N 443.591 5.440 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72215182 UIKMWEODKMIDQO-UGKGYDQZSA-N 437.584 5.989 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)C1(c2cccs2)CCCCC1 72291282 CGWKELDXNFAMKQ-UHFFFAOYSA-N 449.414 5.118 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@H]2CC[C@]13C 87493084 JOCIRBSYAYKMEF-VTLJYYCZSA-N 426.729 8.313 0 40 IKAB biogenic O=C(N[C@@H](CCc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749097 CFUCQGYSVYOQID-QHCPKHFHSA-N 435.907 5.265 0 40 IKAB O=C(O[C@H]1CCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 96485114 SUBPADDKHPFXDO-GBKYUFMXSA-N 441.483 5.119 0 40 IKAB COc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc(-c3ccc(Cl)cc3)nn21 100817224 PDCRVAJXJSCDSC-OAQYLSRUSA-N 449.341 6.317 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106737186 KGYXQGQKWUDESH-QFUZRPNGSA-N 445.924 5.483 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1C 107604831 MPFUKZWOCMPUCG-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2)n1C 107869737 UUZVYHYYXTWJFJ-SFHVURJKSA-N 449.407 5.541 0 40 IKAB CO[C@]12C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H](C)[C@@]1(CC[C@@H](C)CO1)O2 118936390 MZKXAXQZGWDJRJ-GQBRVLIYSA-N 446.672 5.768 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 196384463 CCRBNCWACAGKQR-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB CCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223050375 DHBMQPIOOLCJKB-DEOSSOPVSA-N 434.967 5.006 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 223258041 ZJIXNXRSMWFIMZ-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB CC(C)CSc1nnc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)s1 223564512 QSGQIUNSLHJZMZ-UHFFFAOYSA-N 433.986 5.771 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc(OC2CCCC2)cc1 224061696 GPBHUBCVLLGIMN-ULJHMMPZSA-N 446.572 5.788 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 224440695 PBOXQNNBVLUPDP-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225096587 GBXVIZOCZDFMSG-OALUTQOASA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225245544 QBYBSQUGJPBDKI-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225254674 VZVRZCXNHTXQDU-HSZRJFAPSA-N 444.616 5.009 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225261607 YZPQLVVXXUDWJV-HZHRSRAPSA-N 441.581 6.060 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225333618 KABIWLWTPIHBFC-UHFFFAOYSA-N 432.734 6.449 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OCC(C)C 225557340 BGGAGTANYIVDRZ-UHFFFAOYSA-N 434.407 7.177 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225614989 QHRDLHCLBQYWTG-UTKZUKDTSA-N 433.017 5.154 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccc(F)cc3)c(Cl)c2)N1c1ccc(Cl)cc1 408555755 IGKVOXAACWRLBC-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c(C)c1 408644807 SZZIOCKYLZXVKI-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)c1 408648467 YFVMSURMDIJPDL-FQEVSTJZSA-N 442.559 6.076 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 408694369 DOYSCTHMBJMQFF-GAJHUEQPSA-N 436.939 5.627 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 408737089 ICWAGUVZDZFNOD-UYRXBGFRSA-N 438.266 5.557 0 40 IKAB COc1cccc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)c1 408970899 AHWKSAQBQHHVTM-LCYFTJDESA-N 434.300 5.570 0 40 IKAB Cc1ccc(N2C(=O)c3ccc(C(=O)OCc4ccc(Cl)c(Cl)c4)cc3C2=O)cc1 409184482 YMCVPSRVFZLIEM-UHFFFAOYSA-N 440.282 5.459 0 40 IKAB COc1ccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccccc4)sc3c2)cc1 624756 PNGZHWIJXJLVRQ-UHFFFAOYSA-N 434.542 5.532 0 40 IKAB CCOc1ccc(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)C[C@@H]2c2ccccc2)cc1 841663 BHHYYKURYGQDOL-FQRUVTKNSA-N 430.500 5.439 0 40 IKAB COc1cc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@@H]2C)cc(OC)c1OC 849824 QFIXBHWXPCSEAH-LAUBAEHRSA-N 432.520 5.305 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc21)c1ccccc1 1320466 BNVKGSCCPKRCDD-QHCPKHFHSA-N 426.299 5.001 0 40 IKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 1354473 ZCOPEXHCHXWQOL-UHFFFAOYSA-N 429.520 6.204 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)cc1 1393184 KBGSKFKJFBKJGI-UHFFFAOYSA-N 426.346 5.281 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OCc3ccc(Br)cc3)cc12 1779627 SOKFIDPAGPOHST-UHFFFAOYSA-N 431.326 6.249 0 40 IKAB biogenic Cc1cccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)c1C 1915284 FPXWBHGUFJHKKO-XNTDXEJSSA-N 449.934 5.731 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@@H]1C 2054469 GKCZEAWOZPUETJ-RXFWQSSRSA-N 444.550 6.529 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 2059437 IZRYNXYZUYXLSC-VWLOTQADSA-N 434.377 6.584 0 40 IKAB O=C(CCC(=O)OCC(=O)c1ccc2ccccc2c1)Nc1cccc(Cl)c1Cl 2079621 MXRLTXKODKUGJY-UHFFFAOYSA-N 430.287 5.291 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)oc3cc4oc(=O)c5c(c4cc23)CCC5)cc1F 2119238 ASDNJHPQGKGOHE-UHFFFAOYSA-N 426.443 6.510 0 40 IKAB biogenic CC1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2238752 TXVHQOJHMXLXFE-UHFFFAOYSA-N 426.394 5.724 0 40 IKAB Cc1ccc(NC(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)cc1 2336491 WGCNIHVDXGCTSQ-UHFFFAOYSA-N 425.366 6.090 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012853 ABBREFQWGCYLPZ-OCCSQVGLSA-N 445.228 5.696 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)Nc3cccc(Cl)c3)cc12 3188616 UENPNDQQEAHOBJ-UHFFFAOYSA-N 435.863 6.541 0 40 IKAB O=C(Oc1c(Sc2ccc(Cl)cc2)c(=O)oc2ccccc12)c1ccc(Cl)cc1 3189198 YIJIPGZCMGGEJG-UHFFFAOYSA-N 443.307 6.470 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S 3259378 COXAQTAYYXUWOZ-KNQAVFIVSA-N 426.674 6.573 0 40 IKAB Cc1ccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)cc1C 3295767 IDZBCTKBOJBERM-UHFFFAOYSA-N 436.400 5.832 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)S2)c(C)c1 3308390 DGUPJAFSFLCWSF-ODLFYWEKSA-N 440.931 5.672 0 40 IKAB Cc1cc(OC[C@@H](O)CNCCc2ccc(Cl)cc2Cl)c(C(C)C)cc1Cl 3352192 LPUOYVDHRDAYQB-KRWDZBQOSA-N 430.803 5.651 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 3584068 SCEKBNVSEKNFNW-AZUAARDMSA-N 444.457 5.421 0 40 IKAB CCOc1ccc(N(CC(=O)c2ccc(-c3ccccc3)cc2)C2=NCCCCC2)cc1 6870370 GNNODONVEXLKEF-UHFFFAOYSA-N 426.560 6.414 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)cc1 8758166 GHGDAUVWGVBIMD-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1OCC 8793909 QQYKRWOGBBPTHJ-UHFFFAOYSA-N 448.342 5.017 0 40 IKAB Cc1ccc(Sc2cc(Oc3cccc(C(F)(F)F)c3)nc(-c3ccccc3)n2)cc1 8873069 VJOZSAHYCXXZLJ-UHFFFAOYSA-N 438.474 7.414 0 40 IKAB O=C(Nc1ccc(OC(F)F)cc1)c1nc(SCc2ccc(F)cc2)ncc1Cl 8915622 MWSIHFIGXGCXTC-UHFFFAOYSA-N 439.846 5.415 0 40 IKAB CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 8951279 GPSCYHFHGOKDGI-UHFFFAOYSA-N 432.593 6.360 0 40 IKAB Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCC3)c3ccccc23)c(C)c1 9118311 AKGKRVOZGXYSKY-UHFFFAOYSA-N 435.593 5.001 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2cccnc12 9226388 FJOJFENIYOUNLT-UHFFFAOYSA-N 436.103 5.021 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)ccc21 9290512 JZDYBYPCCOINTP-UHFFFAOYSA-N 446.507 5.734 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1cccnc1 9309744 BOWAQFPAENVRHX-HXUWFJFHSA-N 437.282 5.240 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1Oc1ccccc1 9354679 ZXWOAUXBAPCUEI-UHFFFAOYSA-N 448.547 7.522 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355543 CKFLBURPIRFVSR-XBBWARJSSA-N 446.525 7.280 0 40 IKAB CCOc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Cl)cc2)CSC3)cc1OCC 9390997 AGBXQJZCVPCPDZ-UHFFFAOYSA-N 443.956 5.322 0 40 IKAB COc1cc2c(cc1OC)[C@@H](COc1ccc(C(C)C)cc1)N(C(=O)c1ccco1)CC2 9391325 HKFAKKJCJVPRFN-JOCHJYFZSA-N 435.520 5.239 0 40 IKAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 9459691 YBVSATGNIQFNFA-FZKQIMNGSA-N 440.396 6.053 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(OCc3ccccc3)c2)sc2c1CCCC2 9778326 XRCBYCLYMKJOKH-UHFFFAOYSA-N 435.545 5.635 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 9835794 IWHYKPBWINJVLD-VWLOTQADSA-N 429.520 5.004 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 9838865 YHSWMUIRXSVXEW-UHFFFAOYSA-N 448.302 5.146 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10362403 OBHXMRJKLNCPDF-UHFFFAOYSA-N 436.577 5.481 0 40 IKAB COc1cccc2c1O[C@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 12193316 MASKWKLWSWQJQG-ZEQKJWHPSA-N 432.951 6.714 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1ccc(F)cc1 12342066 MAPBPIVMJQKWMJ-UHFFFAOYSA-N 441.384 5.163 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-n3nc(C)c4ccccc4c3=O)cc2)cc1 12410721 RKTNNTFVNZVCEK-UHFFFAOYSA-N 427.504 5.125 0 40 IKAB CCC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 12418570 GODSADNWHHFTCY-KAWPREARSA-N 439.983 5.496 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@H]1c1ccccc1 12554004 IPPSPTLGINAGKE-QHCPKHFHSA-N 429.545 5.044 0 40 IKAB CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc1 12555154 PCCIVZOMRFDMLE-BVAGGSTKSA-N 432.589 6.950 0 40 IKAB Cc1ccc(-c2nc(NC(=O)Cc3ccc(Br)cc3)sc2CN(C)C)cc1 12593071 QSULCJCBAHTPCZ-UHFFFAOYSA-N 444.398 5.124 0 40 IKAB C[C@H](N[C@@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 12819979 GMTSBLUBYCPENM-IRXDYDNUSA-N 429.589 5.942 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1ccc(C2SCCS2)cc1 12925795 DMQROVPSKIKXQX-UHFFFAOYSA-N 435.014 5.228 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(Cc1ccccc1)Cc1ccco1 12936022 SROFTRMKPSYNKQ-UHFFFAOYSA-N 445.588 5.298 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)OCCOc2ccc(C)cc2)cc1 13055924 GHUHANYBMDNNAH-UHFFFAOYSA-N 435.545 5.270 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 13164865 CHOQQDKXRNSWMO-XMMPIXPASA-N 442.588 5.495 0 40 IKAB COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13552079 UBZJEEBWQDOGGA-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB COc1ccc(OC)c(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 13972381 ZSMYRBOTKJHYRL-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)NC[C@H](c3ccc(C)o3)N3CCC(C)CC3)sc2c1 15860488 SSQZXGSQWYYSME-GOSISDBHSA-N 431.001 5.968 0 40 IKAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCc2ccccc2F)cc1 15980090 DADLAWOKTGTBAO-KNTRCKAVSA-N 439.486 6.226 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(Br)c2)c1Cl 17101559 CYYMFQCZJFHMTP-UHFFFAOYSA-N 437.548 6.044 0 40 IKAB Cc1ncc(-c2ccncc2)c(CN(Cc2ccccc2)C(=O)C2(c3ccccc3)CC2)n1 19286985 WVOMTMDJLZIOEG-UHFFFAOYSA-N 434.543 5.108 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 19632967 KQNUCWKVCLIHNL-ACCUITESSA-N 440.952 5.834 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)c(C)c1 19634369 NYYYWNIOXYXLCB-MSOLQXFVSA-N 441.549 5.203 0 40 IKAB O=C(CCCc1ccc(F)cc1)N1CC[C@@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704339 LGGFSFRLIVGRKY-GOSISDBHSA-N 441.934 5.120 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C)cc3)=NC23CCCCCC3)cc1OC 20152290 JBPWRWZRLURKMS-UHFFFAOYSA-N 436.577 5.335 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 21305647 RLJORARMELJUIN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c(OC)c1 21595927 GTQDTUXNVJVRDP-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(OCc2ccccc2)cc1 22245883 WAEVFIIWPUZPON-UHFFFAOYSA-N 433.508 6.166 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1ccc(Br)cc1 22246126 JQODHBYNBCCOAZ-NSHDSACASA-N 434.334 5.588 0 40 IKAB COc1cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c(OC)cc1Cl 22258323 GQCDGBJUYMARIR-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1cccc(C)c1C 26129161 ILKDRAYPAROZGB-UHFFFAOYSA-N 440.550 5.688 0 40 IKAB COc1cc(OC)c(NC(=O)c2ccc(-c3ccc4c(c3)OCCO4)s2)cc1Cl 32994316 BPMKORBVQJMOKG-UHFFFAOYSA-N 431.897 5.109 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1 33712505 KWMGKVOVQJOMRP-ZDUSSCGKSA-N 435.380 5.388 0 40 IKAB O=C(Oc1ccccc1)/C(=C/c1nc2ccccc2n1C(=O)c1ccccc1)c1ccccc1 34132453 BCPDUWXBSMJPAS-HIXSDJFHSA-N 444.490 5.871 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4F)CC3)ccc21 39761795 CBTAIMKEQDWEIJ-UHFFFAOYSA-N 429.539 5.804 0 40 IKAB Cc1cccc(C(C)C)c1Nc1nc(-c2sc(NC(=O)C(C)(C)C)nc2C)cs1 40556435 YFVYOVYOPLYIEJ-UHFFFAOYSA-N 428.627 6.735 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)cc1 40942708 HQXNSJIZVCPDQN-UHFFFAOYSA-N 448.357 5.547 0 40 IKAB CCOc1ccc(/C=C2\S/C(=N\c3ccccc3)N(c3ccccc3)C2=O)cc1OC 41105251 QJXMVKVEKKCTCO-PFMNSIPKSA-N 430.529 5.903 0 40 IKAB CN(C(=O)c1cc(-c2cccs2)nc2ccccc12)[C@H](c1ccccc1)c1ccccn1 48287569 WSDMMXAVPWTFCS-AREMUKBSSA-N 435.552 6.220 0 40 IKAB c1ccc(COc2ccc(-c3noc(CN4CCC(Cc5ccccc5)CC4)n3)cc2)cc1 57427747 KDFDQKLPZHHLNO-UHFFFAOYSA-N 439.559 5.770 0 40 IKAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@@](C)(c2ccc(Br)cc2)CC1(C)C 59428094 PTKWLSWTUGEVRJ-HSZRJFAPSA-N 444.369 5.142 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359567 VFARTXMIJYMDKX-FQEVSTJZSA-N 435.955 5.144 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cn(C)c3ccccc23)C1 72361021 KTHHXZNJMFDQIN-KRWDZBQOSA-N 445.588 5.161 0 40 IKAB Cc1cc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)ccc1Br 95117371 MWYZPJPQCKZTHI-UHFFFAOYSA-N 425.257 5.957 0 40 IKAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220699766 UUUYXWRTDHOVLS-LJQANCHMSA-N 443.396 5.300 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 222625246 PYWWTWRKELMWPH-KPOBHBOGSA-N 439.382 5.224 0 40 IKAB CCOc1cc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC 222661537 UIVBBVXNWZSUCK-CDHQVMDDSA-N 431.989 5.512 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222751244 DEOMGFRFQGVRRS-HXUWFJFHSA-N 426.626 5.118 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 222760693 LVHWBJIXGRUKQA-MRXNPFEDSA-N 449.422 5.387 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222885528 ICOQQJBJTUORAM-PMACEKPBSA-N 430.499 5.274 0 40 IKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc2c(c1)CCCC2 223109888 IRFFGNOARYZUJX-RUZDIDTESA-N 433.979 6.679 0 40 IKAB CC(C)CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223354563 IHGHTEDRBXGBTK-HHHXNRCGSA-N 428.576 5.162 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 223973022 OVIAZVHVYUMWLQ-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)nc1 224226855 NCVHQOZXJAGVAK-DNQXCXABSA-N 425.561 5.061 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224228985 HPFFTLKOQNHEEG-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 224310485 FVYLALOVYRUSIB-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224374723 LSFNLEUDUDMKNO-UIOOFZCWSA-N 438.600 6.173 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224496885 RMDMLNLWQAUJER-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(OC)cc1 224599000 BECKZGAJYBJZJY-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224727607 LSTBEKIIADSUGM-ZEQRLZLVSA-N 442.544 5.388 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225193398 ZYXWXOSBQSIRNN-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)nc2c1 225269981 HVLVXFIATGACEL-UHFFFAOYSA-N 432.332 5.646 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225604157 QEWUAEWTBLDPAJ-CVDCTZTESA-N 429.004 5.221 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c1 225604962 DXROTFMPQQEZKE-UHFFFAOYSA-N 427.639 5.040 0 40 IKAB Cc1ccccc1-c1noc(CCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 225816773 MSXDYKKKCQLSCJ-UHFFFAOYSA-N 433.895 6.062 0 40 IKAB CCc1cccc(CC)c1NC(=O)CCc1nc(-c2ccc(Br)cc2)no1 225820924 ORNFORHSPWWWQR-UHFFFAOYSA-N 428.330 5.195 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2cccc(-c3cccs3)c2)(C(=O)NC(C)C)CC1 257292111 QKBOCGXYGDPKFU-UHFFFAOYSA-N 426.626 5.137 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1[C@H]2CC[C@H]1CC(Cc1ccc3cnccc3c1)C2 257296304 RCDWIRFBHQUHOQ-SVBPBHIXSA-N 436.559 5.106 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1c1ccc(Cl)cc1 408557546 OOKRSJRWLALGLM-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB CCOc1ccc(/C=C(\Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1OCC 408633873 MQYHRZYXYJTFBR-PDGQHHTCSA-N 445.928 5.140 0 40 IKAB CCOc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCc1ccccc1 408633941 OACRTIMPMWXYAL-HAHDFKILSA-N 446.528 5.758 0 40 IKAB COC(=O)c1ccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 408686085 RZQOYWFHGDXPPS-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2ccc3ccccc3c2)c1 408724094 FEQYRNWDTUCQQA-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2cccc3ccccc23)cc1 408728028 ZHFUIVYEUXHCSY-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCOc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OCc1ccc(F)cc1 408984224 IIAIURROAXMCJS-HMAPJEAMSA-N 431.463 5.456 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccc(F)cc1 409021111 YAPMACOFTKLSHT-WOJGMQOQSA-N 444.940 5.785 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCc1ccc(Br)cc1 409194916 FSSFWWZZSXOLNS-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 409244485 DHWNSFKLEGIZHI-IYSPOMMRSA-N 443.341 5.028 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264588 IVZQFOXETZTQOU-BAMDZGJYSA-N 428.500 5.175 0 40 IKAB CC(=O)N1CCCCCCCCN(S(=O)(=O)c2ccc(F)cc2C)Cc2ccccc21 643588084 AOVDUGZORNPJFT-UHFFFAOYSA-N 446.588 5.032 0 40 IKAB COc1cc(NC(=O)c2ccc(OC(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 677996 YCNRXPOHBYTGHA-UHFFFAOYSA-N 444.487 5.733 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc2ccccc12 684706 RAZHTZSGFLIIQI-DEOSSOPVSA-N 442.544 5.638 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 854360 SAIOGYNYSKZBPD-UHFFFAOYSA-N 441.883 6.350 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCC[C@H]3C)n2)cc1 920462 ASZYKPGTNFOKER-CQSZACIVSA-N 439.503 5.054 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccco1 1322692 QDGBIHPKDJYEOU-XMMPIXPASA-N 435.564 6.036 0 40 IKAB biogenic Cc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371173 PYUUCVGKDBWITE-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)c(C)c1 1859458 XGLPSNPWBYQLEQ-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB Cc1ccc(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 2061904 RFUBDIFMQMZFTM-LBPRGKRZSA-N 428.120 5.201 0 40 IKAB CC(C)c1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2247226 RRPICNQPMVLSHA-UHFFFAOYSA-N 443.348 6.522 0 40 IKAB Cn1c2ccccc2c2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NCc3ccco3)ccc21 2292016 SDELJLZPYLIHFN-ULJHMMPZSA-N 449.510 5.012 0 40 IKAB CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@H](C)CC)cc1 2706346 UHQXMLZAWGEGTG-MRXNPFEDSA-N 429.615 5.256 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@@H](C(C)(C)C)C2 2745173 LUORGKDMJGWJMI-CQSZACIVSA-N 429.538 5.057 0 40 IKAB C[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc2C1 3455340 IPJBZGWOOUYDMQ-UONOGXRCSA-N 426.563 5.180 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 3515759 FPGHJQQIYQUFOK-UHFFFAOYSA-N 428.724 5.965 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)N(CC)c2ccccc2)s1 3556745 BTKLOTJOKWKQME-OAHLLOKOSA-N 428.583 5.214 0 40 IKAB O=C(Oc1cc(=O)n(-c2ccccc2)c(-c2ccccc2)n1)c1ccc(Cl)cc1Cl 8384780 VQCSMWDOELYAGY-UHFFFAOYSA-N 437.282 5.426 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)c1 8400595 XPXZZNPYFWEGRW-UHFFFAOYSA-N 433.533 5.587 0 40 IKAB Cc1sc(NC(=O)Cc2csc(-c3ccccc3)n2)nc1-c1ccc(Cl)cc1 8717904 NGZPZPXBYHDGRL-UHFFFAOYSA-N 425.966 6.077 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)o1 8743372 ZRCOSKIKYZGMFU-GHTZIAJQSA-N 433.722 6.791 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 8831950 CYQOUWGWRQYNOX-UHFFFAOYSA-N 448.950 7.068 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc1 8852885 OWEPPWLGZWJDJS-UHFFFAOYSA-N 431.970 5.017 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)cc1 9184932 JAOYOUSNBVRZMF-GMAHTHKFSA-N 425.315 6.244 0 40 IKAB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)c1ccc[nH]1 9282811 JOXCIGCIOPMWDS-UHFFFAOYSA-N 430.577 5.830 0 40 IKAB Cc1sc(NC(=O)CSc2nnc(-c3ccco3)n2C(C)C)nc1-c1ccccc1 9329079 ZVWIIRMPICQODZ-UHFFFAOYSA-N 439.566 5.282 0 40 IKAB O=C1CCc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5F)o4)n3)ccc2N1 9468042 RQRYLMPIJCQQII-UHFFFAOYSA-N 433.464 5.346 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 9471024 UIXHTJUTUXFZPX-GOSISDBHSA-N 426.339 5.590 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(Cl)c(Cl)c4)ncnc32)cc1 9479645 KTLHKGVODSLAKS-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1cccs1 10009651 ZGDHGESSKHMQGB-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc3ccccc3n2)nc1C 11231941 DLMSARWRNKKLLD-UHFFFAOYSA-N 431.517 5.023 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)c1 12772991 YAUAKZYNXCGYSB-UHFFFAOYSA-N 428.561 5.289 0 40 IKAB Cc1nc(-c2ccc(NC(=O)CSc3ncnc4sc(C)c(C)c34)cc2)cs1 12790435 AKBROZNIICRHPD-UHFFFAOYSA-N 426.592 5.471 0 40 IKAB COc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccco1 13148414 ALYCJXQQHPIPDC-UHFFFAOYSA-N 446.359 6.194 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(-c2nc3ncccc3o2)c1O 13828379 UIADKJGBLIXMCJ-UHFFFAOYSA-N 437.883 5.353 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 15987452 UXLHSAFZWAMSKA-MRXNPFEDSA-N 448.589 5.029 0 40 IKAB CCCCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 16638531 ZGQXHQUKFJVJRO-UHFFFAOYSA-N 426.782 5.970 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17097217 GUEWPRQUOQWQML-UHFFFAOYSA-N 430.879 5.520 0 40 IKAB C[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)C(=O)Nc1c(F)cccc1F 18434727 AHQSKICEIYSQRH-NSHDSACASA-N 447.557 6.264 0 40 IKAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(S)cc2)C1)Nc1ccc(S)cc1 19075395 SGFHTTZZHYPKPT-HZPDHXFCSA-N 444.626 5.014 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)NCC(C)(C)CN(C)C)CCOCC2)c(C)c1 19132879 GTMLXKPFXASPHD-UHFFFAOYSA-N 436.640 5.014 0 40 IKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2Cl)cc1 19325540 BZLFJBASAFSFIM-UHFFFAOYSA-N 436.983 5.764 0 40 IKAB Cn1c(C(=O)Nc2ccccc2Cl)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894324 WZJHGLHLPYOHOX-UHFFFAOYSA-N 429.734 7.058 0 40 IKAB Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)c(Cl)c1 19928231 RTRJINJEZAUEDH-UHFFFAOYSA-N 438.727 5.774 0 40 IKAB CCc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)cc1 20197143 XSLWEIOKVYNGKX-UHFFFAOYSA-N 446.370 5.025 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411089 IGXVDOPDYORPGD-AWEZNQCLSA-N 435.505 5.571 0 40 IKAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1 21579643 AYSNYVQXOXRIFR-UHFFFAOYSA-N 443.484 5.376 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)oc2c1 32126357 IPEITPITUBFFNM-UHFFFAOYSA-N 430.247 5.605 0 40 IKAB COc1cc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cc(OC)c1Br 32876352 CNWFINZPYWAVHH-UHFFFAOYSA-N 442.712 5.064 0 40 IKAB O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1sc(=S)n2-c1ccccc1 32948507 NRHNBGTXAMELJE-UHFFFAOYSA-N 435.958 5.590 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCC(C)C)c(C)o2)cc1 32984670 PHXNCZFGLRMFOK-UHFFFAOYSA-N 433.577 6.007 0 40 IKAB CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 33656041 QCAPEQMYXLSBQU-DTJQMVJJSA-N 449.328 6.282 0 40 IKAB C[C@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 34896157 MZIWRSXHNVMYEY-MLKKUZACSA-N 439.650 5.665 0 40 IKAB Cc1ccc(C)c(-c2cc3c(SCc4nc(-c5ccccc5)oc4C)nccn3n2)c1 38486629 JJJXVJMAVSQYHS-UHFFFAOYSA-N 426.545 6.269 0 40 IKAB Nc1c(-c2nc(-c3ccc(Br)cc3)cs2)nnn1-c1cccc(Cl)c1 38486700 XRDCJOFVIGTNBU-UHFFFAOYSA-N 432.734 5.056 0 40 IKAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44906257 ZUNUHLZKWXWHCZ-UHFFFAOYSA-N 439.814 5.608 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)C1CCCCCCCCCCC1)N(C)CC3)OCO2 49586664 URAXPBQLFVGQED-OAQYLSRUSA-N 429.601 5.833 0 40 IKAB biogenic COc1ccc(CN(Cc2ccccc2Cl)Cc2nnnn2C2CCCCC2)cc1 57614088 UARBXDJYVVWWOE-UHFFFAOYSA-N 425.964 5.043 0 40 IKAB COc1ccc2c(c1)N[C@@]1(CCCN(CCCC(=O)c3ccc(Cl)cc3)C1)c1cccn1-2 57719869 JGYUSFPHOWZCBM-AREMUKBSSA-N 449.982 5.519 0 40 IKAB COc1ccc(Cn2c(SCc3ccc(F)cc3Cl)nc3ccsc3c2=O)cc1 71327632 ARDKGFMKOCINBN-UHFFFAOYSA-N 446.956 5.600 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 101147568 LDNOEDBPXLUFCK-GVAUOCQISA-N 440.543 5.344 0 40 IKAB CCCCOc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102647893 IPFRZMXQXVUYEQ-SANMLTNESA-N 432.564 6.678 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118924511 CZSGREWSSMQULY-OCBUSCMESA-N 428.745 8.821 0 40 IKAB O=S(=O)(Cc1cccc(F)c1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208006652 LHWFVUNKCKHAIN-UHFFFAOYSA-N 440.525 5.030 0 40 IKAB CC(C)(C)c1ccc(O)c(C2(c3cc(C(C)(C)C)ccc3O)C(=O)Nc3ccccc32)c1 222461120 OQKFAERNYSHXPX-UHFFFAOYSA-N 429.560 5.979 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222955647 PLKPEZKBCVZJJR-LEWJYISDSA-N 428.964 5.437 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222956784 QXXZQFWOKNFYEJ-SANMLTNESA-N 442.603 5.395 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223176510 PSVGNILTNQVZAY-QFIPXVFZSA-N 438.612 5.085 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 223190050 QDOWEFXNEKVXSV-LJQANCHMSA-N 445.003 5.176 0 40 IKAB COc1ccc(-c2nnc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)s2)cc1 223255328 KMBUWLCZMUUZHS-HMMYKYKNSA-N 447.947 6.046 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223891364 LQHXAJLBFVGIOF-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224245155 TWEKPNBQGHQHDE-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224364156 VSBVNNBERGLTPG-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NC(C)(C)CC(C)(C)C)c2)cc1 224400176 NTXBHJRMXPKBMU-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224408776 OTFOIGLEMALJMY-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(OC)cc1 224599066 NGNWSGBQHSQNLE-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)ccc1F 224889173 FNJANNISBLKZDW-ZWKOTPCHSA-N 448.386 5.530 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224924741 IJWHKFSGJCYNAE-UHFFFAOYSA-N 441.289 6.385 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 225589367 CVZBLSKELDPNOC-OAQYLSRUSA-N 446.566 5.290 0 40 IKAB COC(=O)c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1C 225858830 LSQRCEBMFARDFI-UHFFFAOYSA-N 436.499 5.556 0 40 IKAB CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)S1 254482933 ICBJIYNFSJGZBD-JIEIVQAVSA-N 444.600 6.193 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC(c4cccc(Nc5ncccc5C)n4)CC3)cc12 257231111 GFHLZFKBANSDNM-UHFFFAOYSA-N 441.535 5.038 0 40 IKAB O=C(NC1CCCCC1)c1cc([C@@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)no1 257286183 PKQFCRNCZRHSLT-XMMPIXPASA-N 443.591 5.784 0 40 IKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CC3=CC(C)(C)NC(C)(C)C3)n2)n1 257332089 XVRWJYVTLJSVQM-NRFANRHFSA-N 433.600 5.059 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408557991 RGMBQDXVRMKRBG-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)cc1 408693606 AWIKVBSHMAWIIC-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1c(C)cc(C)cc1C 408735392 RGFFHLMVJLOFAF-UHFFFAOYSA-N 434.561 6.194 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)c1ccc(Cl)cc1 408751132 WWOYXNZQBAPINR-UHFFFAOYSA-N 438.961 6.177 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 408921470 IBRQCSYCKBDGRS-VGOFMYFVSA-N 444.915 5.240 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C1=O 409058418 XRQYZEWVKJJNLX-PTNGSMBKSA-N 428.348 5.083 0 40 IKAB COc1cccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)c1 409177279 GQFFXFMSMKMPNI-NDEPHWFRSA-N 434.539 6.369 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 409180996 XNTUHHUBBZDLSS-WLRTZDKTSA-N 444.915 5.240 0 40 IKAB Cc1cc(C)c(-n2nnnc2C2(NCCc3c[nH]c4ccccc34)CCCCC2)c(C)c1 575443603 DOSXKMQQEOKMQN-UHFFFAOYSA-N 428.584 5.061 0 40 IKAB CCN1CCCCCCN(C(=O)CC2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582430 ZJIYHIDMQHRGGZ-VWNXMTODSA-N 426.601 5.041 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 1505534845 OFMWAWUPRBPOOI-VDDKRMBASA-N 441.962 7.169 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(Cl)cc1Cl 684345 DXXGBLSGJNXZFQ-LJQANCHMSA-N 447.347 5.402 0 40 IKAB CCc1ccccc1Oc1coc2cc(OCC(=O)Nc3ccc(C)cc3)ccc2c1=O 952084 UGXMBRVSIRAXNQ-UHFFFAOYSA-N 429.472 5.474 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 1224150 GOHBFHWCYZOPFW-UHFFFAOYSA-N 425.985 5.632 0 40 IKAB Cc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2cccnc2)cc1 1338349 BHJPZCDBFPNYAH-AREMUKBSSA-N 438.579 5.283 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)cc1 1365950 MTWVAIYCGZXVJB-LJQANCHMSA-N 438.515 5.450 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccccc1 1381826 TYCHKPWSLCUDRC-OAHLLOKOSA-N 425.315 5.576 0 40 IKAB COc1ccc(-c2csc(NC(=O)Nc3nc(-c4ccc(OC)cc4)cs3)n2)cc1 1611140 IDXOJTFGKOZYMU-UHFFFAOYSA-N 438.534 5.595 0 40 IKAB COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1OC 1746696 ZQLIRKHOPMIJPK-FCHUYYIVSA-N 426.310 5.697 0 40 IKAB CC(C)COC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770139 SJCSQGMWEYVMEX-QGZVFWFLSA-N 438.520 5.849 0 40 IKAB biogenic O=C(Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)c1ccc(Cl)cc1 1775128 AVHAEUOEMUVGMX-UHFFFAOYSA-N 427.239 6.111 0 40 IKAB COc1ccc(CSc2ncnc3c2sc2nc(CC(C)C)c4c(c23)CCCC4)cc1 1800676 MKBIMZZGGJKQOO-UHFFFAOYSA-N 449.645 6.618 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Br)cc1 1850939 VJVBBBKLNWBSPL-UHFFFAOYSA-N 427.264 5.711 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2scc(-c3ccc(Br)cc3)c12 1911890 HYGVRHOMOMTKDO-AWEZNQCLSA-N 437.384 5.555 0 40 IKAB O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054612 LYDRDSZKRCXKFF-AWEZNQCLSA-N 446.976 6.185 0 40 IKAB Cc1ccc(NC[C@@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3cc(C)ccc32)cc1 2059373 QCVMWQPDOJNKIV-HHHXNRCGSA-N 446.594 7.065 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)/C=C/c3ccccc3)cc12 2104843 DUARGBWRBLJBRO-CXUHLZMHSA-N 442.467 5.904 0 40 IKAB biogenic Cc1c(C)c(C)c(Cn2nnc(C(=O)c3ccccc3)c2C(=O)c2ccccc2)c(C)c1C 2182281 FRNAGHRLZSOQIX-UHFFFAOYSA-N 437.543 5.331 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2413304 RQLWZRVFAZRRRY-JOCHJYFZSA-N 431.513 5.470 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)[C@@H](c3ccc(Cl)cc3)C(C)C)n2)c1 2653246 NOOTWPAIEOQHSW-HXUWFJFHSA-N 430.957 5.859 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(CC)cc2)cc1 2713708 ADCHTDQCPCVJRU-UHFFFAOYSA-N 443.568 5.732 0 40 IKAB O=C(c1c(OCc2ccccc2)ccc2ccccc12)[C@@H]1O[C@H]1c1cccc2ccccc12 3120650 LOBFDLUNBQVSCS-KYJUHHDHSA-N 430.503 6.895 0 40 IKAB COc1cnc(SCc2ccc(Cl)cc2)nc1Oc1cc(Cl)cc(Cl)c1 3128590 LLLVORZZNBHCHQ-UHFFFAOYSA-N 427.740 6.530 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1OCc1ccccc1Cl 3294451 MVJBVENGYCTXAB-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 3330460 XDCAQBSRUYRNAF-UHFFFAOYSA-N 443.930 6.750 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC(C)(C)CC4=O)c(C)c1 4735802 JIZHUMRKRJBHKH-UHFFFAOYSA-N 425.550 5.622 0 40 IKAB CCCCCC[C@@H](CCCCCCCCCCC(=O)OC[C@@H](C)CCC)OC(=O)CC 4897243 DHZVTDROULFHNL-DQEYMECFSA-N 440.709 8.159 0 40 IKAB CCCn1c(S(=O)(=O)Cc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 6181467 KCTPVTPOPZWDJG-UHFFFAOYSA-N 430.573 5.909 0 40 IKAB Cc1ccc(C)c(OCc2nnc(SCCCOc3ccc(C(C)(C)C)cc3)o2)c1 6936090 MBQPTXYIGQLVPB-UHFFFAOYSA-N 426.582 6.124 0 40 IKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc(Cl)c1)CCCCC2 8440449 PIHCEHDTDLRIMK-UHFFFAOYSA-N 438.980 6.104 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 8656872 SJWRWGBEMKQUEW-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)NCC1CCCCC1 8705437 XYGPJSNWGMTVBN-LBPRGKRZSA-N 436.002 5.782 0 40 IKAB CCN(C(=O)CSc1nnc(COc2ccccc2Cl)n1C1CC1)C1=CCCCC1 9056161 XAJVWVCOMQSZAH-UHFFFAOYSA-N 447.004 5.244 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9056712 GGUDEZPHLGNZDS-UHFFFAOYSA-N 437.724 6.570 0 40 IKAB c1ccc(Oc2cccc(Oc3cncc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1 9075427 RHAGTTUDLUBZLU-UHFFFAOYSA-N 447.490 8.251 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 9167769 NDKVNSJUHRMKDC-DHIUTWEWSA-N 430.870 5.283 0 40 IKAB O=C(Nc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1Cl)c1ccco1 9226421 VQDDWSHRJMTGES-UHFFFAOYSA-N 439.880 5.058 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C(C)C)c1 9262817 WMFLMAGYMACKCF-UHFFFAOYSA-N 434.487 5.584 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 9281555 PQZBOLAUUSVQIX-LVXARBLLSA-N 430.504 5.345 0 40 IKAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2ncnc3ccccc23)cc1 9414664 YQHUNLKAKYJZBD-NRFANRHFSA-N 444.585 5.470 0 40 IKAB Cc1nn2c(Nc3ccc(C(C)C)cc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 9451210 OZTRXEPDGBQHKK-UHFFFAOYSA-N 432.999 7.523 0 40 IKAB CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3cccc(C)c3C)cc1)C2=O 9583420 HHQYHYMGCFPOOQ-UHFFFAOYSA-N 429.472 5.463 0 40 IKAB C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N(C)CC(=O)Nc1cccc2ccccc12 9591991 HPZDJKSOLYSLAF-CQSZACIVSA-N 430.335 5.044 0 40 IKAB CCOc1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 9790532 JGKMBUHRLLGZNG-NRFANRHFSA-N 432.501 5.200 0 40 IKAB CC(C)(C)OC(=O)N1[C@H](C(=O)NCc2ccccc2)CS[C@@H]1c1ccc(Cl)cc1 9850277 YQLUPEABRRTZJK-AZUAARDMSA-N 432.973 5.008 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10315115 LNZTZVLWTBSIFE-UHFFFAOYSA-N 428.513 5.407 0 40 IKAB CC[C@@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1C)C(=O)Nc1ccc(F)cc1 10395553 RNYCDENSDPVRDF-OAQYLSRUSA-N 447.539 5.286 0 40 IKAB Cc1ccccc1CC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12237215 XSEWYYQMZDYBAI-UHFFFAOYSA-N 447.604 5.259 0 40 IKAB O=C(c1ccc(Cl)cc1)n1nccc1/C(=C/c1ccccc1)Oc1ccc(Cl)cc1 12338449 RTKUDCWDOOXMQO-KQWNVCNZSA-N 435.310 6.456 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 12567743 TVFWSBMFKDJEAK-SANMLTNESA-N 440.547 5.001 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c(OC)c1 12568618 FNXAFJIPUCIPHC-QFIPXVFZSA-N 438.549 5.025 0 40 IKAB Clc1ccccc1-n1c(SCc2ncc(-c3ccccc3)o2)nnc1N1CCCC1 13121277 ZXCNHAXQXPDVMC-UHFFFAOYSA-N 437.956 5.468 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3nc4ccccc4s3)c3ccccc3C2=O)c(C)c1 13541209 BNVWXXHTXFDFQH-RGEXLXHISA-N 425.513 5.553 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1cccc(C)c1C 14272341 RRWOOYARDLOJIC-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)ccc1-c1cc2ccccc2oc1=O 14273194 XOYKBAYULMOBJO-UHFFFAOYSA-N 447.918 6.218 0 40 IKAB Cc1nn(-c2c(Cl)cc(Cl)cc2Cl)c2nc(-c3ccco3)cc(C(F)(F)F)c12 15108225 SHJVAWUPLSQLAR-UHFFFAOYSA-N 446.643 6.968 0 40 IKAB COc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(F)cc1Cl 16214745 UUPYGBJLUPPVLJ-UHFFFAOYSA-N 438.930 5.880 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 16576191 NNYQKWKGRSFOHD-BYMHFINISA-N 440.027 6.622 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 16841703 IIGMDCAMCRZOCH-UHFFFAOYSA-N 430.577 5.615 0 40 IKAB CCSc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316835 FSPHBGSPFJEWOU-JOCHJYFZSA-N 447.608 5.750 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nnc(-c2cccs2)o1 17660699 XVWLOSCQZQRYFK-HNNXBMFYSA-N 431.542 6.973 0 40 IKAB COc1cccc(Nc2nnc(SCC(=O)N[C@H](C)c3cc4ccccc4o3)s2)c1 19181622 KVLOXASTCQXRIC-CYBMUJFWSA-N 440.550 5.006 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3-n3ccnc3C)cc2)cc1 20454005 RIASDCGUNLZMAQ-UHFFFAOYSA-N 427.573 5.711 0 40 IKAB CCOc1cc(CNC2CCCCCCC2)cc(Cl)c1OCc1ccccc1Cl 22076323 UURHRBFDZINPFF-UHFFFAOYSA-N 436.423 7.174 0 40 IKAB Cc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccc(F)cc3)c2c1 22574417 SXFYNFRTBVWPBE-UHFFFAOYSA-N 440.927 5.781 0 40 IKAB c1ccc(CN2CCN(Cc3c(C45CC6CC(CC(C6)C4)C5)nc4ccccn34)CC2)cc1 22920883 SQMWTRQJTZBNKE-UHFFFAOYSA-N 440.635 5.120 0 40 IKAB COc1cc(C(=O)NC[C@H](c2cccs2)N(C)C)ccc1OCc1ccccc1Cl 25573127 ICGZIGYWMGKWBQ-LJQANCHMSA-N 444.984 5.022 0 40 IKAB CCOc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccc(F)cc2)cc1 28047880 ODYHEXWHCMKUEG-QHCPKHFHSA-N 438.886 5.062 0 40 IKAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2cccc(Cl)c2C)c1 28534822 BFTRCPYCSPOVJD-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C)c1-c1ccc(Br)cc1 32598931 CSBQBOOQRDUYKT-UHFFFAOYSA-N 436.352 5.586 0 40 IKAB COc1cc(NC(=O)[C@H]2CCCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 32721999 BFFCBBGQSLYNDL-JKSUJKDBSA-N 426.538 5.235 0 40 IKAB CC(=O)N(c1nc(CSc2cc(C)nc(C)n2)cs1)c1c(C)cc(C)cc1Cl 32782117 BERVBTWROGBORU-UHFFFAOYSA-N 433.002 5.797 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)N4CCC(C)CC4)sc3c2)cc1 33000291 VPLOQJOXPZKTIA-UHFFFAOYSA-N 439.606 5.208 0 40 IKAB Cn1c(SCc2cccc(Br)c2)nc2cc(-c3ccccc3)sc2c1=O 33129059 DGBJNNQXEKNEHW-UHFFFAOYSA-N 443.391 5.717 0 40 IKAB CCOc1c(I)cc(C(=O)Nc2ccc3ccccc3c2)cc1OC 34849327 VQBQYJQNUKQTDJ-UHFFFAOYSA-N 447.272 5.104 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cc(C)ccc3C)n2)cc1 46012245 AYQDSIGCNCIULK-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1ccc2c(Nc3ccc(OCc4ccccc4)cc3)c(C(=O)N3CCCC3)cnc2n1 49004595 MBXPELIQPCLTPV-UHFFFAOYSA-N 438.531 5.497 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2)c1 57487432 WEXSCRUZFACFFB-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(-c3ccc(O)cc3)c(-c3ccc(O)cc3)n2)cc1C 57740346 PSRBFDXXBLLAKP-UHFFFAOYSA-N 443.528 5.209 0 40 IKAB CC(C)c1noc(-c2ccc(NC(=O)[C@H](C)Oc3ccc(Br)cc3)cc2)n1 58247577 ONSTXODDJNBVKV-ZDUSSCGKSA-N 430.302 5.029 0 40 IKAB COc1ccc(OC)c(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c1 67261467 CFSSZUXVNMEYNM-UHFFFAOYSA-N 445.910 5.227 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC)c(Cl)c2)cc1 67297749 RJGQIONUKAICKL-PNHLSOANSA-N 434.879 5.588 0 40 IKAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1cc(NC(C)=O)ccc1F 72283613 LKBVWBVOGIIRRU-UHFFFAOYSA-N 425.426 5.292 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372627 HWDMKZHAHJDSOT-HXUWFJFHSA-N 449.605 5.794 0 40 IKAB COc1ccc(-c2noc([C@@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 98212268 WLXBUNPSHYGSDG-IBGZPJMESA-N 435.524 5.029 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)n1 100738888 RUNXSXRJMMZABT-LGVFNWMJSA-N 442.607 5.856 0 40 IKAB CC(C)CC[C@H](C)NC(=O)c1ccccc1SCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102362137 CHISSKPFRNWYMB-XCRACJGTSA-N 430.658 5.274 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 104153594 YJVOYPLHJOXXDS-AREMUKBSSA-N 432.564 6.534 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)cc2)c1 214345455 GDLMCTBILGHPRR-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB CCc1ccc(OCC(=O)NCCSCc2ccccc2Cl)c(Br)c1 218860071 WBIVJJPVGNWLID-UHFFFAOYSA-N 442.806 5.093 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222935879 QSWYYTUYBWKBCK-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223114845 YZGGWNPABONPDG-JWQCQUIFSA-N 447.604 6.046 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224115326 WYYLZUWODFFHIQ-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 224194256 XBEBKFKQHAEEEA-FGZHOGPDSA-N 445.617 5.431 0 40 IKAB Cc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1C 224268471 FOTACZSNAFEFKQ-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)cc1 224275052 HWZVHZJBLSXGSK-UHFFFAOYSA-N 433.548 5.181 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)c(OC)c1 224932878 QGOQBUPBHRBCLY-UHFFFAOYSA-N 448.906 6.240 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225098140 DZGNQMYTBDEPGW-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)ccc21 225166137 IPEWLCIWZWSEND-UHFFFAOYSA-N 444.000 5.148 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225312326 ATRFTGCXYZXBBX-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225327819 XGWHFXAORBWHNZ-DEOSSOPVSA-N 441.015 5.529 0 40 IKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccc(Cl)c(Cl)c1 225338615 WBGSBEXRKJVOGI-UHFFFAOYSA-N 440.355 6.360 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 225487967 WPCZUFMIYOMRMF-QFQXNSOFSA-N 430.592 5.495 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 225497833 AVLHPTKJXLHUFV-SFHVURJKSA-N 433.017 5.073 0 40 IKAB COc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1Cl 225533905 JJWPWEDOOYLDEP-UHFFFAOYSA-N 430.932 5.553 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 225671584 PIDBAJVSNHBWRN-LJQANCHMSA-N 447.044 5.153 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 225690514 IKBCXVNFDKILLL-HXUWFJFHSA-N 426.576 5.071 0 40 IKAB Cc1cc(C)nc(Nc2cccc(C(=O)N3c4ccc(Br)cc4C[C@H]3C)c2)n1 225914355 ARTIYJISSWZMMR-OAHLLOKOSA-N 437.341 5.191 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 263600309 JVYYINJWLIGZGB-QFPOLSRASA-N 426.729 8.767 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 408548163 QBPCYYVXQVWSKK-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c(C)c1 408603077 FEHMEPWREWCHTO-UHFFFAOYSA-N 449.016 5.600 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1C 408638352 BZERLXYMSMZQLX-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 408674618 AQSRTCBGVMCOGH-UHFFFAOYSA-N 436.870 5.619 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c(C)c1 409177179 CXFWSJGRWOZOPV-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3cccc(F)c3)n(C)c2-c2ccc(OC)cc2)cc1 409202093 ZKCKDJKFSWQNOF-RFBIWTDZSA-N 448.519 5.318 0 40 IKAB Cc1ccc(C(=O)/N=c2\sc(C)c(-c3ccc(Br)cc3)n2C)cc1Cl 409202445 SIPVBESTRDRYRP-QOCHGBHMSA-N 435.774 5.527 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2C)cc1 409363634 VBMZOAUTZMWUBI-UHFFFAOYSA-N 447.029 5.250 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1cc(C)ccc1C 409376591 ZVVHLURNFQWJPC-UHFFFAOYSA-N 432.564 5.894 0 40 IKAB CCCCCC[C@H](C)Oc1c(F)cc(C2CCC([C@H]3CC[C@H](CCC)CC3)CC2)cc1F 584578767 VDXVHNIYCHTFIC-YEAFAIJXSA-N 448.682 9.583 0 40 IKAB CCCCCCc1ccc(C(=O)N2CCCCCCCN(C(C)=O)c3ccccc3C2)cc1 643589497 VKMUMIXSMOOMGW-UHFFFAOYSA-N 448.651 6.769 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3cncs3)cs2)cc1 1615189559 ZIJHBTNSIMILDA-LJQANCHMSA-N 426.611 5.487 0 40 IKAB O=C(C[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1)N1C(=O)OC[C@@H]1c1ccccc1 1772715070 YPCHPGLGWGZWCT-NXMSCROESA-N 432.495 5.758 0 40 IKAB CC(C)(C)P(c1ccccc1[C@@H](N[S@](=O)C(C)(C)C)c1ccccc1)C(C)(C)C 1857795118 NOTCXERCVBXXDA-PZGXJGMVSA-N 431.626 6.532 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCc1ccc(F)cc1 646593 SCJFVJUSBHXBEU-ZDUSSCGKSA-N 435.446 5.099 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 874211 VPDATQDGTMIPBX-GOSISDBHSA-N 429.549 5.065 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@H]1CCCO1 894936 AGIYYPVJAVDYEF-JOCHJYFZSA-N 449.620 5.085 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2CC)cc1 903547 DEAWVDYUKZTNNZ-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB COc1cc(CCC(C)=O)ccc1OC(=O)c1c(-c2c(F)cccc2Cl)noc1C 1048814 LXIUVLOXXFPIEC-UHFFFAOYSA-N 431.847 5.192 0 40 IKAB CCn1c(S[C@H](C(=O)c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 1306057 ZLIUGBVTSLZJQR-QHCPKHFHSA-N 429.545 5.690 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](CSc3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 1394093 DXGAUROYEGPQDM-VXKWHMMOSA-N 438.390 6.254 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Br)cc3)s2)cc1 1803140 BZSKDUYEFSFLIX-KPKJPENVSA-N 441.394 6.272 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)ccc4ccccc34)c(C)c2oc1=O 2149130 UTCQVFYHCQRZRH-UHFFFAOYSA-N 444.527 5.946 0 40 IKAB biogenic O=C1c2ccccc2N[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccccc1 2177266 UCZOCOGAZPEFKZ-SANMLTNESA-N 440.930 6.690 0 40 IKAB O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1C1CCCCC1)CCCC3 2254604 GOZTWEDYRNHZAO-UHFFFAOYSA-N 440.634 6.013 0 40 IKAB Cc1ccc(-c2nc3ccc(Cc4ccc5nc(-c6ccc(C)cc6)oc5c4)cc3o2)cc1 2368400 WKNZACYZMHBIPE-UHFFFAOYSA-N 430.507 7.511 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(Cl)cc2)cc1 2715980 QQCONJRAMHPOPA-UHFFFAOYSA-N 449.959 5.823 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc(Cl)cc(Cl)c1 3213995 HHNJSDZEGVIRNB-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 3224438 ALNISNKVQIEDRW-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccc(F)cc1F 3240330 OESAKYQRWLNYTM-UHFFFAOYSA-N 430.457 5.099 0 40 IKAB Cc1cc2occ(CC(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)c2cc1C(C)C 3306303 KLFNTJHPOZFLMN-UHFFFAOYSA-N 442.563 6.031 0 40 IKAB CC[C@@H](C)Sc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 4087477 ZYTYGNLZPYWFKU-NXTQRVMMSA-N 430.662 5.507 0 40 IKAB O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 5813195 QWYCALYVYWPWLT-NHODMIADSA-N 434.535 5.006 0 40 IKAB Cc1c(C(=O)c2ccc(Oc3ccccc3)cc2)c2ccccn2c1CCc1ccccn1 6182642 NDADBGMVOFMYQF-UHFFFAOYSA-N 432.523 6.451 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)sc2n1 8450711 ZGZRHULQPVAFQT-HXUWFJFHSA-N 426.545 5.487 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc(C(=O)NCCc2ccccc2)ccc1Cl 8452507 FQCFUWMIOGZPKR-UHFFFAOYSA-N 442.946 5.647 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2nc(-c3ccc(Cl)cc3)no2)cc1 8718745 VEEGUJNYZZQOSB-NRFANRHFSA-N 439.943 5.475 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2N2CCCCC2)c1Cl 8832361 VMRKQYUKULPYHZ-UHFFFAOYSA-N 441.786 6.271 0 40 IKAB Cc1csc(N(C(=O)COc2ccc(C(=O)c3ccccc3)cc2)c2ccccc2)n1 8899898 PIBVQCRXBCFFTL-UHFFFAOYSA-N 428.513 5.426 0 40 IKAB Cc1coc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923701 ITMWACWCNQEDJB-QHCPKHFHSA-N 444.314 5.211 0 40 IKAB OCCCn1c(-c2ccc(Cl)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 9060329 BCSNLPZGDNYGKB-UHFFFAOYSA-N 427.935 6.173 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)c(O)c2)cc1 9064887 SIQZKCKOJWOCAJ-UHFFFAOYSA-N 445.544 5.452 0 40 IKAB CCCN(CC1CC1)C(=O)NC[C@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 9218861 CRHZMVPMPXDASU-JOCHJYFZSA-N 435.568 5.149 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)cc1 9452865 SWQRFUNODZQTOE-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Cc1ccc(C2=NC3(CCC(C(C)(C)C)CC3)N=C2SCC(=O)Nc2ccccc2)cc1 9599247 OPQUNZJHIDBSCR-UHFFFAOYSA-N 447.648 6.501 0 40 IKAB COc1ccccc1-c1nnc(SCc2ccc3c(c2)OCO3)n1CCc1ccccc1 9953715 LUIJBCPSKUZKHO-UHFFFAOYSA-N 445.544 5.217 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120429 HXTKMRWTFYLEMB-IBGZPJMESA-N 428.532 6.219 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)cc1 10626057 KPYRWDAANWJAFL-UHFFFAOYSA-N 445.972 5.041 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)c(C(=O)c2ccccc2)c1 11666992 WASMYICUFNSYFJ-UHFFFAOYSA-N 442.518 6.694 0 40 IKAB CC(C)(C)c1cc(Br)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 12404278 ITGKNCNXXFYHCU-UHFFFAOYSA-N 439.349 6.398 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1 12461934 HWOGUJIXSHAIEG-UHFFFAOYSA-N 429.445 7.082 0 40 IKAB Cc1ccccc1NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C 12524479 USIYJWZYVJNRPZ-UHFFFAOYSA-N 448.661 7.274 0 40 IKAB CCOc1ccc([C@@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 12758568 VKGCMIGCTQKSNJ-FQEVSTJZSA-N 428.326 5.291 0 40 IKAB Cc1nc(COc2ccccc2C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cs1 12774140 RRYYWGODZUNCDL-SFHVURJKSA-N 430.982 5.651 0 40 IKAB COc1ccc(C(=O)COc2ccc(-c3cc(OC)c4c(C)oc(C)c4c(=O)c3)cc2)cc1 12890505 RLBXXEUATAIFQF-UHFFFAOYSA-N 444.483 5.356 0 40 IKAB biogenic CCOC(=O)c1noc(NC(=O)CC(c2ccccc2)c2ccccc2)c1-c1ccccc1 12945857 SMJPTARGVVALMG-UHFFFAOYSA-N 440.499 5.679 0 40 IKAB Cc1cc(NC(=O)c2ccc(CN(C)CC(=O)Nc3cccc(F)c3)cc2)ccc1Cl 13037901 UDPUBEYJNAAYBA-UHFFFAOYSA-N 439.918 5.110 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1 13041362 OKIGMVXMUVJBFM-CVDCTZTESA-N 438.980 6.141 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 13117513 YNVNYWACNNFHEG-HSZRJFAPSA-N 449.963 5.312 0 40 IKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)OC4CCCCC4)n12)CCCC3 13496044 HGJWVDZGRMOABA-UHFFFAOYSA-N 444.626 5.309 0 40 IKAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5ccccc5C)nc4c32)cc1 13787140 OPJXHXUZVYBJKL-QFIPXVFZSA-N 436.471 5.100 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COCC(=O)Nc3ccc(C)c(Cl)c3)ccc21 13943746 MVZJFGJGPAVLDT-UHFFFAOYSA-N 449.938 5.370 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 13954873 XOXRHCBKJNECNA-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 13954887 WOBOKOFYAJJWDI-INIZCTEOSA-N 434.923 6.679 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 13980887 FAVLZDYSBPIAOB-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@@H](C(C)(C)C)C2 15946738 DDJKJUJZGZWOMY-QGZVFWFLSA-N 441.641 5.398 0 40 IKAB Cc1cc2nc(COc3ccccc3C=O)c(COc3ccccc3C=O)nc2cc1C 16284169 IZARVDJRIQKGMX-UHFFFAOYSA-N 426.472 5.030 0 40 IKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1Cl 16312763 MWGSKVTXFKZWMD-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CC[C@H](CCNC(=O)Nc1cccc2ccccc12)NC(=O)Nc1cccc2ccccc12 16611319 QHEVJILSNLAUDD-OAQYLSRUSA-N 440.547 6.105 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 16682601 RXEQFBPHZMIJPQ-FQEVSTJZSA-N 446.359 5.957 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccccc1F 16688742 JCYSSTZVGRHVSD-JOCHJYFZSA-N 429.919 5.280 0 40 IKAB O=C(NCc1c(-c2ccc(Cl)cc2)nc2n1CCS2)c1cccc(C(F)(F)F)c1 17149899 ZTMASZKVCMSHLV-UHFFFAOYSA-N 437.874 5.258 0 40 IKAB O=C1CS[C@@H](c2ccc(Br)cc2)N1c1ccccc1Oc1ccccc1 17198346 VLTSSYSKMOYJGH-NRFANRHFSA-N 426.335 6.020 0 40 IKAB Cc1ccc2oc(CN3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)c(C)c2c1 19220503 ZNZQAZSAOJYLLX-CJFMBICVSA-N 433.596 5.560 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 19646677 VGDSRFBJXVOWLK-HUUCEWRRSA-N 447.940 5.239 0 40 IKAB CCN(Cc1ccnc2ccccc12)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 19712716 MDCMCFJSWBROFB-BVAGGSTKSA-N 431.580 5.115 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20460179 MZZHMDYOEUMBGK-OAQYLSRUSA-N 448.415 6.354 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c(Cl)c1 20610691 VUEUWRDJYOYGLH-UHFFFAOYSA-N 448.954 5.832 0 40 IKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCC[C@H]1c1cccs1 21846067 KGSPDAPFLPLRGV-KRWDZBQOSA-N 437.615 5.876 0 40 IKAB CCn1cc(C(=O)N[C@@H](C)c2ccc(SC)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22237047 VYMOBQGGXIDTOE-ZDUSSCGKSA-N 434.483 5.253 0 40 IKAB O=C(CCc1nc2ccccc2s1)Nc1nc(-c2ccc(Br)cc2)cs1 25424933 REZALJOKSKPCMB-UHFFFAOYSA-N 444.379 5.754 0 40 IKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1)c1cccc(C(F)(F)F)c1 27521261 ZMNCIKQJVDBURD-UHFFFAOYSA-N 448.238 5.951 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc2ccccc2oc1=O 27744493 GCPQKSSHNXMIIF-HXUWFJFHSA-N 442.902 5.490 0 40 IKAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1cc(Cl)cc(Cl)c1 32611862 UEGXRKCMOGNMSR-UHFFFAOYSA-N 437.352 5.223 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2csc(Cc3cccc(Cl)c3)n2)c1 32833350 WDFMPZSUGGFSPU-UHFFFAOYSA-N 441.984 5.051 0 40 IKAB Cc1cc(NC(=O)c2ccc(F)cc2Cl)sc1C(=O)Nc1ccc2ccccc2c1 32931979 XJYLBKAOIKNHKU-UHFFFAOYSA-N 438.911 6.507 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 38240142 QGGRDHGCNNAWIE-KEWBTNRVSA-N 444.700 7.218 0 40 IKAB O=C(NCCSCc1ccccc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38837067 RNKQPIJAFYLEDV-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB COc1ccc(/C=C2\C[C@@H]3[C@@H]4CCc5cc(OC(C)=O)ccc5[C@H]4CC[C@]3(C)C2=O)cc1 41181193 FJIRFWDJPBXNKB-OZWRERIQSA-N 430.544 5.739 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1F 48265096 YGOAYTKVPHLRFK-LBPRGKRZSA-N 425.485 5.207 0 40 IKAB O=C(c1cnc2c(c1)c(C1CC1)nn2-c1ccccc1)N1CCCc2cc(F)c(F)cc21 48286464 NDYYSUWREDWRAQ-UHFFFAOYSA-N 430.458 5.169 0 40 IKAB COc1ccc(/C(=C\C(=O)N[C@@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1 67192393 UJWSENPQOBBZKN-YKWODGTOSA-N 449.550 6.041 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 72328559 FHLSFTQALZEUSM-UHFFFAOYSA-N 446.576 5.451 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)c2ccco2)s1 96119803 SYOIVEQVOQVZNQ-UHFFFAOYSA-N 426.881 5.119 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072860 JDZVHGBBPXSKJF-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CCOc1ccccc1 106766220 UMHSSNISYSJZSU-QJOMJCCJSA-N 431.513 5.381 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@H]2C1 118914695 QGGRDHGCNNAWIE-JXXOWAKJSA-N 444.700 7.218 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCS[C@@H](c4ccccc4Cl)CC3)n(C)n2)c1 206996047 KICZSMJSNPYLTR-JOCHJYFZSA-N 441.984 5.070 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Br)c3)N21 222666592 XOMZTWZWDZQYST-CDHQVMDDSA-N 446.414 5.611 0 40 IKAB CCCCCNc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223425467 OBURDCXXCMGANV-UHFFFAOYSA-N 438.977 5.308 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 223708401 DRRVBSQSGQKHNT-HSZRJFAPSA-N 440.653 5.075 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223808124 GTXPPZALEMSJSB-OAQYLSRUSA-N 438.637 5.262 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 224006324 KIRTUTPXACLLOQ-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224175012 CEZDUYFIYXOBPW-UHFFFAOYSA-N 445.603 7.167 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224343678 HTUNSQYEHUUXRC-LOSJGSFVSA-N 442.563 5.751 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(OCCSc2ccccc2)cc1 224381049 MVWMIQDTTFHZKI-UHFFFAOYSA-N 439.536 7.009 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224472668 NKRVVZWPVCGFPV-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 224572605 NYYZMVUXYBGIHT-NRFANRHFSA-N 435.395 5.260 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224643174 QMOQKYNEFUWTRM-GOSISDBHSA-N 445.028 5.298 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224693612 GGSQFAZZJXQCOE-DNQXCXABSA-N 426.545 5.688 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224792292 IMVHGXUMWTXOBG-IBGZPJMESA-N 426.988 5.139 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl 225175365 WPOSGFQJFCDRHP-MRXNPFEDSA-N 448.941 5.027 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NCCCSCc1ccc(Cl)cc1 225609984 SSUWJGCPTZYNJM-UHFFFAOYSA-N 447.826 5.852 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 225612877 GTGAIVHXPBPGQV-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB Cc1ccccc1-c1noc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)n1 225781371 NWGNSOQFBLBFRI-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB CC(C)COc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257203242 APEOMELTTGGWMY-UHFFFAOYSA-N 426.516 5.998 0 40 IKAB O=C(N1CCC[C@H]1c1cccc(Cc2ccccc2F)n1)C1(c2ccccc2)CCOCC1 257217590 CZPNMEZVGNPNKG-SANMLTNESA-N 444.550 5.223 0 40 IKAB COc1ccccc1CCC(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 257219417 DGSHWUIOIMGIDK-UHFFFAOYSA-N 444.579 5.184 0 40 IKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccc(Br)cc1 408530149 IVLPQXWXEXSZBM-UHFFFAOYSA-N 431.289 5.792 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408559496 VQCXDNRFRIMJNG-QHCPKHFHSA-N 443.927 5.845 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 408576465 VJRNPJPDABJEKQ-UHFFFAOYSA-N 432.567 5.764 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(C(F)(F)F)cc2)ccc1NC(=O)c1ccccc1 408617877 DWLLIIRLAOKXCO-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccccc2F)cc1)S(=O)(=O)c1ccc(SC)cc1 408701431 XWKNCEWVFIDRKQ-UHFFFAOYSA-N 444.553 5.015 0 40 IKAB CC(C)COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408812701 PIDBFCCJPLMHQV-FZFSVLIYSA-N 449.640 6.775 0 40 IKAB Cc1cccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)cc2)c1 408991926 RMQLCCQIMXIGGR-UHFFFAOYSA-N 430.573 6.610 0 40 IKAB CCc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 409098500 QEDTYRDWXYIKBL-UHFFFAOYSA-N 440.399 7.096 0 40 IKAB CCN1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409113200 HBUYYFXOJVXULY-RGVLZGJSSA-N 445.371 6.361 0 40 IKAB Cc1ccccc1OCCCn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 409144878 HAWDOXPZCUUTGF-HAHDFKILSA-N 434.561 5.864 0 40 IKAB CC(=O)N1CCCCCCCN(C2CCOCC2)Cc2cc(-c3ccc(F)nc3)ccc21 643577994 MAVADTCFDSYNBD-UHFFFAOYSA-N 439.575 5.186 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 670358 OXQFKNQWCZSLFH-GHMZBOCLSA-N 441.380 5.075 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)C2CCCCC2)cc1 976610 XURIAMATCGSCBR-UHFFFAOYSA-N 434.565 5.205 0 40 IKAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 990059 NHVLJABGKLWMIZ-AREMUKBSSA-N 433.935 5.471 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc(Cl)cc1 1052831 SADWFIOQNIRAMF-FYJGNVAPSA-N 436.870 5.151 0 40 IKAB Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCCCC3)c2n1 1073549 XAKKCQQLPSAUEE-UHFFFAOYSA-N 428.124 5.053 0 40 IKAB Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1371295 RCECXYMIAGCTHT-UHFFFAOYSA-N 443.522 5.827 0 40 IKAB CC1(C)[C@@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 1445195 PWDKENAYFQNPIK-HSZRJFAPSA-N 448.567 5.847 0 40 IKAB c1ccc(-c2cn(-c3ccccc3)c3ncnc(N4CCN(c5ccccc5)CC4)c23)cc1 1447545 QCRHCZOPSIUTBW-UHFFFAOYSA-N 431.543 5.414 0 40 IKAB Cc1cccc(OCCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1773925 ZOHSSBMNNWBRLE-UHFFFAOYSA-N 446.978 6.665 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(C(C)(C)C)cc2)C4)cc1 2118881 RYHIYBGYCCFSFR-UHFFFAOYSA-N 441.527 6.123 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(Cl)c(C)c2)cc1 2342839 UOZCVWGPHZLTKL-UHFFFAOYSA-N 434.923 5.503 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 2419992 JEIRFQQHGGSRAN-NRFANRHFSA-N 434.879 5.616 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3nnc(C4CC4)s3)cc12 2726133 PBQKHBMJKZABPJ-UHFFFAOYSA-N 429.958 5.089 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2799969 BEGOAVVGNIYTMM-AWEZNQCLSA-N 431.483 5.844 0 40 IKAB CC1(C)COP(=O)([C@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OC1 3110449 YEZJMZFHRAPEEI-KRWDZBQOSA-N 426.247 5.532 0 40 IKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)NC(c1ccccc1)c1ccccc1 3215257 CIDSLCGJWUVAAY-UHFFFAOYSA-N 435.523 5.340 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1nc2ccccc2o1 3344872 VRSQBDAMLLNRKL-UHFFFAOYSA-N 438.530 5.464 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)NCCC3=CCCCC3)n2-c2ccccc2)cc1 3347041 SEZXYAHKJKNTDA-UHFFFAOYSA-N 448.592 5.042 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655447 QGNAZDRNQBULAV-UHFFFAOYSA-N 433.891 6.357 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(F)c(Oc3ccccc3)c2)N1c1ccc(F)cc1 3671869 AUXFUDUBMSYLMF-RUZDIDTESA-N 428.438 6.528 0 40 IKAB S=c1n(CN2CCCCC2)nc(-c2ccc(Br)cc2)n1-c1ccccc1 4399054 PLAXNJDQGIDDSA-UHFFFAOYSA-N 429.387 5.276 0 40 IKAB Fc1ccc(-c2cc(C(F)(F)F)nc(N3CCN(c4cccc(Cl)c4)CC3)n2)cc1 4734323 HQBLTJJKNYWVJF-UHFFFAOYSA-N 436.840 5.282 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)O[C@@H](C)C(=O)c3ccccc3)cc(-c3cccs3)nc12 8384110 OZCNXLFVDGLQEW-HNNXBMFYSA-N 435.932 6.353 0 40 IKAB O=c1c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2nnn1-c1ccccc1)CCCC4 8450790 ZJMNPHYDQRDFLY-UHFFFAOYSA-N 444.947 5.590 0 40 IKAB CCCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 8782422 BFVGRNSBYYCETN-UHFFFAOYSA-N 440.590 5.550 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C1=O 8821673 JHRXVSAJZZBIJZ-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8827498 WTXBRTPNIFOQRG-JOCHJYFZSA-N 438.508 5.769 0 40 IKAB Nc1c(C(=O)Nc2ccccc2F)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 9012701 CTGVKRKYJYEOPJ-UHFFFAOYSA-N 439.515 6.604 0 40 IKAB CCOC(=O)c1ccc(Nc2nc(Nc3ccc(Cl)cc3C)c3nccnc3n2)cc1 9075091 SOGZGXNHOIRJBK-UHFFFAOYSA-N 434.887 5.046 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COc2ncnc3ccc(Br)cc23)c1Cl 9128628 DPBVRLSWBAFJCU-UHFFFAOYSA-N 441.112 5.025 0 40 IKAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)sc1C 9265136 PTMBHYYPXXPPRK-INIZCTEOSA-N 435.578 5.127 0 40 IKAB CCn1c(SCc2csc(-c3ccccc3OC)n2)nc2sc(C)c(C)c2c1=O 9358548 BJJQESKNSUSNBU-UHFFFAOYSA-N 443.619 5.519 0 40 IKAB C[C@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccc2c(c1)OCO2 9797595 UFTYKDNCDFLAFY-AWEZNQCLSA-N 449.557 5.057 0 40 IKAB C[C@H](Oc1ccccc1F)c1nnc(SCC(=O)N[C@H](C)c2cc3ccccc3o2)o1 9870513 DTHSDOZFCCBIAI-KGLIPLIRSA-N 441.484 5.064 0 40 IKAB CCOc1ccc(-n2c(SCc3cccnc3)nnc2-c2c[nH]c3ccccc23)cc1 12522642 MBFZLHFYBIBODJ-UHFFFAOYSA-N 427.533 5.502 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 12560379 NILMCKLMEKTDHK-HSZRJFAPSA-N 449.913 5.311 0 40 IKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1 12565368 LCMWBMGERVVBEV-UHFFFAOYSA-N 442.924 6.423 0 40 IKAB O=C(CCc1ccccc1)Nc1nnc(SCc2cccc(Br)c2)s1 12630027 LQEYUKCMFFNUPA-UHFFFAOYSA-N 434.384 5.164 0 40 IKAB Cc1cc(N2CCCC2)ccc1NC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 13040838 BTVPNUWUFHYMOH-UHFFFAOYSA-N 436.559 5.759 0 40 IKAB c1ccc(CN2CCO[C@@H](CSc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)C2)cc1 13147636 KVZVOUHFCUUYSL-XMMPIXPASA-N 441.600 5.737 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3cccs3)nc2-c2cccc(OC)c2)c1 13567030 SLZMWFBSSDCFOW-UHFFFAOYSA-N 449.557 5.259 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC)cc4s3)no2)cc1OCC 13723939 NEWQFCPOLYMWAG-UHFFFAOYSA-N 439.493 5.010 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 13776919 GCVWRKJCELMRCW-NZSAHSFTSA-N 445.327 5.106 0 40 IKAB CCc1ccccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 13936088 AKQJBSKANSTMCD-UHFFFAOYSA-N 445.997 5.512 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1cccc(-c2nc3ccccc3[nH]2)c1 13945519 QBUTYSHJSDLSPW-UHFFFAOYSA-N 442.371 6.409 0 40 IKAB O=C(c1ccc(Cl)cc1N1CCCC1=O)N1CCC[C@H](c2nc3ccccc3s2)C1 14122018 XINHHLPODYOEIT-HNNXBMFYSA-N 439.968 5.096 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)c(OC)c4)cc3n2)cc1 14272725 GTDLDORUVNMRTO-UHFFFAOYSA-N 444.535 5.341 0 40 IKAB O=C1N(Cc2ccccc2Cl)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 15081773 FCJLJPJZSUKSQX-UHFFFAOYSA-N 441.914 5.632 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4nccs4)sc3c2)cc1 15669769 MTDOAMNGMPPTBN-UHFFFAOYSA-N 440.575 5.044 0 40 IKAB CCc1nc2sc([C@H](c3cccs3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 16690092 FBFVPUKEYJJYTJ-FQEVSTJZSA-N 438.622 5.164 0 40 IKAB COc1ccc(-c2csc(-n3nc4c(c3C(F)(F)F)COc3ccccc3-4)n2)cc1 16957329 NRUFAXCINCCFCY-UHFFFAOYSA-N 429.423 5.583 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cc(Cl)ccc2Cl)c1Cl 17095497 ZOBMZUTZOKSONL-UHFFFAOYSA-N 427.542 6.588 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 17099463 YWZPTUOWOSCPCY-UHFFFAOYSA-N 435.398 8.055 0 40 IKAB CCc1ccc([C@@H]2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=S)cc1 17724628 XZFKBVYYEYUQPB-DGWZTRNLSA-N 436.580 5.740 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)cc1 19220275 IHEYMKVZVAAKMD-HSZRJFAPSA-N 439.559 5.705 0 40 IKAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 19376461 RFKQQJFKJABLQX-SFHVURJKSA-N 430.533 5.202 0 40 IKAB COc1ccccc1-c1ccc(CN2C[C@@H](c3ccccc3)[C@@]3(CCCC(=O)N3)C2)cc1 19571689 JXFNPOQTLYZDIJ-LBNVMWSVSA-N 426.560 5.001 0 40 IKAB CCc1ccc([C@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20970244 CCCGZRRKGTVMLY-VWLOTQADSA-N 438.531 5.535 0 40 IKAB CC(=O)c1cccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)c1 24376270 LDDMQEYVEROMKE-UHFFFAOYSA-N 441.331 5.365 0 40 IKAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 25918828 FSKGHZHBMQWWIR-KRWDZBQOSA-N 439.544 5.377 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCC(OCC)OCC)ncnc3[C@H]2C2=C1CCC2 26464498 PKGPRHGUZIZZME-WIYYLYMNSA-N 433.643 5.609 0 40 IKAB COCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 27016027 FYVPCBNZPSMSPQ-IZHYLOQSSA-N 433.533 5.331 0 40 IKAB CC(C)Oc1ccc(NC(=O)Cc2csc(COc3ccc4ccccc4c3)n2)cc1 27912737 VFGJBDJWTAHILG-UHFFFAOYSA-N 432.545 5.844 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 28207113 YGXRFKDFEIPKQD-LJQANCHMSA-N 448.588 5.421 0 40 IKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@H]1C[C@H]1c1ccccc1 32609865 SDCQTEGDGCILPL-PMACEKPBSA-N 429.442 5.297 0 40 IKAB COc1cc(OC)c(NC(=O)c2nn(-c3ccccc3Cl)c3c2CCCC3)cc1Cl 32671808 QXNXWAXXTQADRS-UHFFFAOYSA-N 446.334 5.327 0 40 IKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O 35146531 NCASVNNDJIFCCE-QGZVFWFLSA-N 425.960 5.273 0 40 IKAB COc1ccc(CN(C(=O)Cc2csc(Cc3cccc(Cl)c3)n2)C2CC2)cc1 36760321 GDWBWSCWDZYMAR-UHFFFAOYSA-N 426.969 5.130 0 40 IKAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385026 FGQNRPBTKPUINE-UHFFFAOYSA-N 440.334 5.782 0 40 IKAB Cc1cc(Br)ccc1NC(=O)Cc1csc(Nc2ccc(Cl)cn2)n1 49452559 URHIBGBQDNMXGP-UHFFFAOYSA-N 437.750 5.187 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317261 PTLYFRNARPEYBI-UHFFFAOYSA-N 448.847 5.526 0 40 IKAB O=C(Cc1csc(Cc2ccccc2)n1)Nc1ccnn1[C@@H]1CCCc2ccccc21 58109433 RGUAOIHGVHZBCE-JOCHJYFZSA-N 428.561 5.037 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(Cl)c3F)oc12 67295726 SMUZELWSUNJZTM-VYIQYICTSA-N 437.858 5.422 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)Cc2cc(C)ccc2OC)n1 72390640 JIFWMUVSIPZLBV-HSZRJFAPSA-N 444.579 5.023 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccccc1Cl 102650671 RSKLBVAJBPWPTQ-VWLOTQADSA-N 436.983 7.323 0 40 IKAB CC(=O)c1ccc(OCC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1 208010796 NTMFADGDQFYGAV-UHFFFAOYSA-N 446.503 5.836 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cccc(OCc2ccccc2)c1 218977279 FTKFFCIPOJNUEF-UHFFFAOYSA-N 437.583 6.986 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1ccccc1 219762124 JYBUPFJISUKIHU-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 223114239 JAAHLTPXMFFDOW-GOTSBHOMSA-N 437.996 6.300 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223115526 JCPBMYCAQSZADH-GOTSBHOMSA-N 447.560 5.345 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1cccc(OCc2ccccc2Cl)c1 223629114 PFICXIHVOSFSOE-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)c1 224253560 PGBVXPAZCHJPCE-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1C 224264969 RCCQDLYJYPMOFG-IZZNHLLZSA-N 444.648 6.409 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CSc2ccccc2)cc1 224406856 IXDSGLBWABQHKQ-UHFFFAOYSA-N 437.977 6.403 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1cc(C)cc(C)c1C 224609453 NTOJGHTTYZMCKT-UHFFFAOYSA-N 437.967 6.804 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224941713 GDJGAKDMRVIWEC-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4cc(Cl)ccc4[nH]3)cc2)cc1 225269054 QRGASLQQHMLRJP-UHFFFAOYSA-N 447.922 6.093 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(OC)c4ncccc34)CCCC2)cc1OC 225877321 NYYVSFNSORLCIY-UHFFFAOYSA-N 437.565 5.017 0 40 IKAB CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)S1 255961037 ICBJIYNFSJGZBD-UKGJNPCFSA-N 444.600 6.193 0 40 IKAB CC1CCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CCCCCC3)n2)CC1 260717859 PWYSCQILELMDRQ-LJQANCHMSA-N 444.693 5.101 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 408559275 YXOQJAPCCFOUDC-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB S=C(c1cccc(OCc2ccccc2Cl)c1)N1CCC(Cc2ccccc2)CC1 408571794 CNRDIFACKYSBFK-UHFFFAOYSA-N 436.020 6.549 0 40 IKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(OCC)cc1 408823250 NKGPVGUONYXILR-UHFFFAOYSA-N 442.584 7.081 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N1c1ccccc1 408824171 PXLUFYCBVPXLAV-XKZIYDEJSA-N 431.469 5.235 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc(F)c1 409017771 VUNATUKUEHHFOA-PCXKXAPESA-N 429.513 5.638 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 409051967 FLKFGSMUPTUAFT-ZHZULCJRSA-N 439.577 6.237 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)cc1 409099335 QGZWOGJAQORCHM-UHFFFAOYSA-N 435.980 6.376 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 409101867 BUIPRHQABQGBEM-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)c(Br)cc1OC 409120647 UZZVJXKPCBMTBE-YVLHZVERSA-N 430.342 5.400 0 40 IKAB O=C(C1CCCCC1)N1CCC2(CC1)Cc1ccccc1CN(CC1CCCCC1)C2=O 1565546736 JGRSCKVJGDKMFA-UHFFFAOYSA-N 436.640 5.341 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)c(Cl)c4)sc3n2)c1 661237 PZESAQXCIJSBQG-UHFFFAOYSA-N 427.888 5.599 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc(Cl)c1 790074 CWQMXIWFYOLXKB-UHFFFAOYSA-N 432.936 5.590 0 40 IKAB Cc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Cl)cc1C 825557 NWNDSZCALFTVOM-UHFFFAOYSA-N 444.844 5.938 0 40 IKAB Cc1cc(NS(=O)(=O)c2ccc(Nc3nc(-c4ccc(C)c(C)c4)cs3)cc2)no1 848826 GLGHTPLFOBDDSY-UHFFFAOYSA-N 440.550 5.268 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCCCC3)n2)cc1 920448 VAPLKKCLWGNRIL-UHFFFAOYSA-N 439.503 5.056 0 40 IKAB Cc1cc(C)cc(OC[C@H]2[C@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 1755393 GFOMBTVDBJDWDJ-NOZRDPDXSA-N 435.951 5.795 0 40 IKAB Cc1cccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1770972 UDVKUUPUCVKFOG-UHFFFAOYSA-N 432.951 6.275 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1ccc(OC)cc1 1903606 GBDAXSPNSGXPDX-AWNIVKPZSA-N 425.481 5.391 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1cccc(Cl)c1 1909321 CWNIQSXVJPZCOI-IZZDOVSWSA-N 446.355 6.551 0 40 IKAB CC[C@H](OC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)C(=O)c1ccccc1 2079098 RSVOQIDDRQYZPN-DEOSSOPVSA-N 444.490 6.249 0 40 IKAB CCCOc1c(Br)cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1OCC 2081246 LLIDTGYUMZPQCT-GZTJUZNOSA-N 448.288 5.120 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(CCc1ccccc1)C3=O 2224144 FTMXIRBICBQNGW-HSZRJFAPSA-N 429.903 5.543 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(N(CC)CC)cc2)c2c1cc(OCC)c1ccccc12 2224321 QYKDZDBLYRQRNB-UHFFFAOYSA-N 444.575 6.514 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc2cc(OC)ccc2c1 2288703 VGVHWVJYNLCEDB-UHFFFAOYSA-N 445.540 6.314 0 40 IKAB Cc1cccn2c(CN3CCC(C(=O)O)CC3)c(-c3ccc(-c4ccccc4)cc3)nc12 2528835 VJXDAHIWUYYKHE-UHFFFAOYSA-N 425.532 5.273 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2sc(CC)cc2c1=O 2650518 CZYAZZXDQCEBSH-UHFFFAOYSA-N 436.002 5.123 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCCO5)cc1 2688279 CIRKCOXNPYPJOX-UHFFFAOYSA-N 437.499 5.340 0 40 IKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C 3065089 XEJUWOWOZCKXHQ-CJAUYULYSA-N 432.495 5.124 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1)c1ccc(Cl)cc1 3227406 STYWXAGVKYOCNA-SFHVURJKSA-N 448.375 5.406 0 40 IKAB O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3412440 OULJKUIGVPCSJP-UHFFFAOYSA-N 443.459 5.002 0 40 IKAB Cc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)c(Cl)cc1Cl 3670644 UUFXBFXNUUFYOH-UHFFFAOYSA-N 437.131 5.925 0 40 IKAB Fc1cccc(Cl)c1CN1CCC(c2cc(-c3cccc(C(F)(F)F)c3)[nH]n2)CC1 4397290 DKMGAGHFLHJLIK-UHFFFAOYSA-N 437.868 6.268 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 8832269 KNZPHOQAJKBGBI-CSKARUKUSA-N 444.314 6.472 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 8861461 CZAJGOCBWAEFTN-ZDUSSCGKSA-N 448.951 5.495 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(F)cc4)ccc3o2)cc1 8903067 LJBCUBNCJBKEHF-UHFFFAOYSA-N 433.508 5.884 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 9051439 DXEHGBAVTOZIIN-UHFFFAOYSA-N 436.581 5.114 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCCC4)cc1 9108666 CJWQUIJSTPCBRC-UHFFFAOYSA-N 443.572 5.994 0 40 IKAB O=C(Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cccc2c(Cl)cccc12 9191792 BLVPUBASWANNNM-UHFFFAOYSA-N 432.310 6.942 0 40 IKAB COc1ccc(CCCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1C 9261113 CCSKTXNTKFCBGJ-UHFFFAOYSA-N 436.408 5.907 0 40 IKAB O=C(CSc1nc2ccccc2n1C1CCCCC1)c1c[nH]c(C(=O)N2CCCC2)c1 9338309 IFZIBOWZBYMMSJ-UHFFFAOYSA-N 436.581 5.081 0 40 IKAB Cc1oc2cc(O[C@H](C)C(=O)N3CCc4ccccc43)ccc2c(=O)c1-c1ccccc1 9366033 BRMPIOGPJVPCJF-GOSISDBHSA-N 425.484 5.125 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc(OCC)c1OCC 9404848 ZHGPVKTVDZWQER-UHFFFAOYSA-N 445.519 5.678 0 40 IKAB CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2)cc1O 9409598 WVWWGLKFVWLYQD-UHFFFAOYSA-N 429.476 5.201 0 40 IKAB biogenic COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2ccc(Cl)cc2)cc1 9444035 DHBLXJGGVBKVMC-HXUWFJFHSA-N 442.993 5.880 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 9461580 JUBQFBPRJFVMKF-UHFFFAOYSA-N 430.617 6.289 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cc(Cl)ccc1Cl 9464544 ORKUSYVMIJBALX-UHFFFAOYSA-N 439.393 5.303 0 40 IKAB C[C@H](c1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1ccc(F)cc1)N(C)C 9781563 ULMINKSZCQZRGA-MRXNPFEDSA-N 434.540 5.157 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)cc1 9846197 XXKBOYYTJAUART-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc2c(c1)OCO2 10038669 DJKUGGLDWJSQKK-UHFFFAOYSA-N 437.249 5.238 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 10212735 ZICLGAVXJJXKKB-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CCn1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)c2ccccc21 10558953 NSVUTFDJSHIZJI-UHFFFAOYSA-N 439.544 5.279 0 40 IKAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1O 11866350 WGTLSVUYGRRJCP-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)o1 12177305 KSBMFLJKJLCXAG-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB Fc1ccc(COc2ccc(-c3noc(-c4ccc(Br)cc4)n3)cc2)cc1 12374461 DNNWMSGZFMTPHH-UHFFFAOYSA-N 425.257 5.884 0 40 IKAB Cc1ccc2c(CSCC(=O)c3cc(C)n(Cc4ccccc4)c3C)cc(=O)oc2c1 12634900 UZOBMNNVMNTWMR-UHFFFAOYSA-N 431.557 5.684 0 40 IKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3ncc(-c4ccc(F)cc4)o3)c2C)cc1 13004080 OBGCZJILKVXJRN-OUKQBFOZSA-N 445.494 5.407 0 40 IKAB Cc1ccc2c(C)c(C(=O)Nc3nnc(SC/C=C/c4ccccc4)s3)oc2c1C 16741800 NXJRTEOOTDMLAT-JXMROGBWSA-N 435.574 6.267 0 40 IKAB COc1cc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccco4)=NN23)cc(OC)c1OC 16758711 GLTVCNKJBXASDQ-HXOBKFHXSA-N 440.883 5.201 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)COc4ccccc4)ccc3o2)c1 17097543 SCMPRERNOIBNAO-UHFFFAOYSA-N 431.517 5.004 0 40 IKAB Cc1nc(COc2ccccc2C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cs1 19310177 DNHWNAKAFDIEDT-UHFFFAOYSA-N 446.557 5.659 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1cccc(Cl)c1 20167994 TXDVYVDOYADXAH-CVEARBPZSA-N 449.956 5.383 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3coc(-c4cccs4)n3)cc2)cc1 21221454 VOVAKRCPEMOPQM-UHFFFAOYSA-N 440.546 5.116 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cc2ccccc2[nH]c1=O 25178788 ABIOTYZUHPLZKS-UHFFFAOYSA-N 430.316 5.135 0 40 IKAB COC(=O)[C@H]1Cc2ccccc2CN1Cn1c(=S)n(-c2cccc(C)c2)c2ccccc21 25426991 IQGMYNLSGUKWTK-XMMPIXPASA-N 443.572 5.027 0 40 IKAB Oc1ccccc1/C=C/c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1 25694460 OKJYKDQIGPYCKE-OBGWFSINSA-O 427.523 8.438 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 31265825 DCQGWUUIKPZMFD-UHFFFAOYSA-N 428.517 6.015 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)Cn1ccc2cc(Br)ccc21 32124873 KWRZFJJHFPRIAH-UHFFFAOYSA-N 436.147 5.422 0 40 IKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccc(Cl)cc2)CC1 33546291 RODNNROIELIBQA-UHFFFAOYSA-N 438.818 6.089 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352171 KAEZAQFUKSATGV-VWNXMTODSA-N 439.342 6.634 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Br)cc1 40942712 BWHXTOVPAVYGNR-UHFFFAOYSA-N 440.721 5.077 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 44086043 SYCKUTMQOBMGNN-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(I)cc2)c2ccccc2)cc1 44948616 IIJGSBXGYASTSD-FQEVSTJZSA-N 427.285 5.119 0 40 IKAB CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3cc(OC)ccc3nc2C)cn1 48299246 MMESVBUNRKMEBK-UHFFFAOYSA-N 443.503 5.068 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72215294 IPAAXWASOIIYNO-UGKGYDQZSA-N 437.584 5.989 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H]3c3cc(Nc4nc(C)cs4)cc(C)n3)cc12 72372591 MPUPWUSKLTZTAJ-OAQYLSRUSA-N 447.564 5.366 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 77293471 QRSNTERZEKNKIZ-UAQNQREASA-N 444.700 6.930 0 40 IKAB in-vitro CCOc1cc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)ccc1O 102576129 CCHJXOIHTGYFCU-QFIPXVFZSA-N 448.548 5.346 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 102775241 SIEROZRAJQYOLF-QYBDOPJKSA-N 428.488 5.858 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)c(Cl)c2)N[C@H]1c1ccccc1 107935129 LMRVIGOKDOMJIR-IBGZPJMESA-N 435.376 5.764 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223096841 OFVJWAFQUQUFKS-GOSISDBHSA-N 447.044 5.197 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 223314245 YIEBMLHQBRORMD-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223944580 KZJJJYRFMHDROZ-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccccc3C)c(Cl)c2)cc1 224016761 NYEHSHVRYLQLSW-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc2ccccc12 224304719 FAQVIIMCSAACNH-UHFFFAOYSA-N 440.499 5.638 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224706670 UCFAMWJLYAGRAQ-NRFANRHFSA-N 438.637 5.343 0 40 IKAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccc2c(c1)oc1ccccc12 225150905 JBPKDNZIZDVNRM-UHFFFAOYSA-N 432.295 5.158 0 40 IKAB COC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1C 225345482 FLNMZJRWKDIUIU-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB COc1ccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c2cccnc12 225535800 SPJDTYYCGOOWFU-UHFFFAOYSA-N 447.535 5.448 0 40 IKAB S=C(NCCCSCc1ccccc1Cl)Nc1cccc(Br)c1 225605945 OWKLBBAYIHXUQZ-UHFFFAOYSA-N 429.836 5.712 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)cc1 225810536 UAEPWSDEOYBBGD-UHFFFAOYSA-N 441.797 6.040 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c2c(C)noc2n1 257199919 ABGVQQREPRAPMK-IBGZPJMESA-N 436.899 5.049 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(OC)cc4)cc(C)n3)C2)cc1 257257500 KPWXYSOQSHMOAU-DEOSSOPVSA-N 444.575 5.622 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408620309 LTDYLCPICYBDMQ-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(C)c2)=N[C@@H]1c1ccccc1 408988675 IUSSWWFWZWXLRB-XMMPIXPASA-N 442.584 5.903 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 408997431 OOCAVBVQJSTIRO-YRPOYHMTSA-N 442.309 5.173 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCC(C)C 409004316 AFZYSWGYSBOLHL-JCMHNJIXSA-N 425.550 5.399 0 40 IKAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1c(Cl)cccc1Cl 409340948 BMQIGRIHZAANEF-RQZCQDPDSA-N 432.284 5.336 0 40 IKAB C[C@@H](NC(=O)OC(C)(C)C)c1cccc(-c2nc3c(nc(Cl)c4ncn(C)c43)s2)c1 575372304 VMGNOIOURLJYFG-LLVKDONJSA-N 443.960 5.484 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585291738 FKXHUDPUOBFBHH-SJFMBGHLSA-N 433.581 5.369 0 40 IKAB CC(C)[C@@H]1C[C@H](c2cccc(Cl)c2)CO[C@H]1c1ccc(OCCN2CCCC2)cc1 585292967 UWCNLGHLCOTARV-HRNNMHKYSA-N 428.016 6.332 0 40 IKAB CC(C)Cn1c([C@H]2CCCN2C(=O)C[C@@H](c2ccsc2)n2cccc2)nc2ccccc21 1614476543 NTTLGTSHRSMWBN-RPWUZVMVSA-N 446.620 5.899 0 40 IKAB COC(=O)c1ccc(CSc2ccccc2NC(=S)Nc2cccc(SC)c2)o1 1048546 ABIFLJSKXNDKFA-UHFFFAOYSA-N 444.603 5.889 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nc3ccccc3c2=O)cc1 1329110 QIHCEWIJHRBZMC-UHFFFAOYSA-N 449.963 5.332 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1353124 WNLRATPVSQOELF-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB O=C(c1ccccc1)c1cn(C2CCCCC2)c(-c2ccccc2)c1NC1CCCCC1 1744748 IOTOUGCBJVENNG-UHFFFAOYSA-N 426.604 7.636 0 40 IKAB Cc1ccccc1OCc1nc2c3c(-c4ccccc4)c(-c4ccccc4)oc3ncn2n1 1835904 CGHMCOGYWRAKKO-UHFFFAOYSA-N 432.483 6.092 0 40 IKAB Cc1c(Cl)c(=O)oc2cc(OCc3ccc(F)cc3)cc(OCc3ccc(F)cc3)c12 1902812 HAPRFFKCRQHWFB-UHFFFAOYSA-N 442.845 6.191 0 40 IKAB Cc1ccc(NC2=C(Sc3ccccc3)C(=O)N(Cc3ccccc3)C2=O)cc1Cl 1907370 GIEVPZGFVYPQPI-UHFFFAOYSA-N 434.948 5.633 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccccc45)c(C)c3cc2c1C 2148820 XGWYGGGPJICHJH-UHFFFAOYSA-N 442.515 5.237 0 40 IKAB biogenic CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(NCc4ccccc4)c23)CO1 2394484 GLAHLKBKMUIHPE-UHFFFAOYSA-N 447.629 6.447 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1c1nccs1 2399796 LLIKHGLCCWWLCN-MRXNPFEDSA-N 429.284 5.306 0 40 IKAB COc1ccc(CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)cc1F 2617820 XLKONACWQYWKCG-UHFFFAOYSA-N 440.931 5.731 0 40 IKAB Cc1cc(Br)cc(Cl)c1OCC(=O)Nc1c(C(C)C)cccc1C(C)C 2629973 NOJWJNZPQGBWMI-UHFFFAOYSA-N 438.793 6.675 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)cc1 2707297 XACJGYUUYIEBNA-PKTZIBPZSA-N 428.517 5.217 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 3221855 OIRIKUVCVWIMNW-SFHVURJKSA-N 438.858 5.464 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3224644 HHSHYBOHDPJBOM-UHFFFAOYSA-N 441.936 5.436 0 40 IKAB COc1ccc(-c2nc(NC(=O)CC(c3ccccc3)c3ccccc3)sc2C)cc1 3336758 AXGWIUFOQHJEHD-UHFFFAOYSA-N 428.557 6.288 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(-c4ccccc4)nn(-c4ccccc4)c3n2)cc1 3642152 KXQSBVVLWTYKAX-UHFFFAOYSA-N 445.444 6.782 0 40 IKAB O=C(C[C@H](Sc1ccc(Br)cc1)C(=O)O)c1ccc(Br)cc1 4118426 CTFMQCJXTXNQBH-HNNXBMFYSA-N 444.144 5.030 0 40 IKAB COc1ccc(-c2csc(N(CCCN(C)C)C(=O)c3ccccc3Cl)n2)cc1 6878642 CTFGZCLXDDSZSP-UHFFFAOYSA-N 429.973 5.071 0 40 IKAB Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@H]2[C@@H]1c1cccs1 8455581 VEDPLASXZAZMKR-WTQZJADQSA-N 439.631 6.257 0 40 IKAB CCc1cccc(C)c1Nc1sc(C(=O)c2ccc(F)cc2)c(N)c1S(=O)(=O)CC 8756710 LADYFUQIUFNUNN-UHFFFAOYSA-N 446.569 5.108 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)c2cccs2)c1 8783012 JYQQAGGPXAPCLP-HHJKRLRDSA-N 449.572 6.163 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1C 8857550 JAONASINMYZOSW-OAHLLOKOSA-N 433.573 6.437 0 40 IKAB Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)c(C)c2cc1Cl 8868409 FCNNFBKTMDRNHC-GOSISDBHSA-N 432.347 6.178 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(Br)c3)sc2c1 8903132 OISPLDQDDPTBJT-UHFFFAOYSA-N 433.327 5.268 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 9288208 OQFFUJQYXRWHAW-DEOSSOPVSA-N 425.488 5.034 0 40 IKAB Cc1ccccc1C(=O)Oc1ccc(/C=C2/N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 9299687 YFWKWWPJFOIHOD-JJIBRWJFSA-N 439.511 5.856 0 40 IKAB Cc1ccc(N[C@H](CC(=O)c2ccccc2)C(=O)OCC(=O)c2ccccc2)cc1Cl 9371664 OGHVHXBKJKTYID-JOCHJYFZSA-N 435.907 5.128 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 9413869 GSMZSDDUCQTENU-UHFFFAOYSA-N 438.842 5.739 0 40 IKAB CC(C)C(=O)N1CCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CC1 9578816 DMMHZGKIODSMJD-UHFFFAOYSA-N 448.617 5.391 0 40 IKAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 9591934 ZNYYJZBNFXWWFH-QGZVFWFLSA-N 445.490 6.332 0 40 IKAB COc1ccc2ncc3c(-c4ccc(C)c(C)c4)nn(-c4ccc(C)c(Cl)c4)c3c2c1 9676019 STMSTFMBXVIRQH-UHFFFAOYSA-N 427.935 6.828 0 40 IKAB O=C(COC(=O)c1cc2c(s1)-c1ccccc1OC2)Nc1c(Cl)cccc1Cl 9817618 FYGFSVUQTYFKNH-UHFFFAOYSA-N 434.300 5.410 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3o2)CC1 10214354 JKWXEDVATNAXFY-DEOSSOPVSA-N 425.532 5.144 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 12529515 GYOVDRUKJSTHQO-XOBRGWDASA-N 426.910 6.948 0 40 IKAB Cc1ccc2nc(CSc3nnc(-c4ccccc4)n3-c3ccc(C)c(C)c3)cn2c1 12546434 JXVPTNCKABUBTH-UHFFFAOYSA-N 425.561 5.800 0 40 IKAB CC(C)c1ccc([C@@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12750931 UGKPWVXFPQOZKT-JWQCQUIFSA-N 434.605 5.151 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1OC 12934871 CNWBPNFDOMSJNV-HNNXBMFYSA-N 444.984 5.767 0 40 IKAB Cc1sc2nc(CN3CCCCC3)nc(Sc3nnc(C4CC4)n3C3CC3)c2c1C 12996895 DVTBJFOGKJELAD-UHFFFAOYSA-N 440.642 5.249 0 40 IKAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4ccc5ccccc5c4)c23)C1 13038078 UQHOSYZLENCTLR-KRWDZBQOSA-N 445.588 5.594 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H](NCC(C)C)c1ccccc1 13121547 RNLSOQASAFAKQL-QFIPXVFZSA-N 436.577 5.517 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3cc(Cl)ccc3N(C)C)c3ccccc3C2=O)cc1C 13424690 HCIUPAOCUBZBSJ-PXLXIMEGSA-N 445.950 5.663 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13708416 HBWFAHBDYPTXOT-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13953366 GBSYSXOTNGTNQG-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(OCc2ccccc2)cc1 14036285 QYVFQRYQQGBHMQ-UHFFFAOYSA-N 446.728 5.699 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)c2ccc(Br)cc2)n1 14152822 ACNRWQNAYZABAP-UHFFFAOYSA-N 433.758 5.843 0 40 IKAB COc1cc(OC)c(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 14716955 STTUTGCLLHSYDB-UHFFFAOYSA-N 430.502 5.618 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947826 CCBMFYYGXZOHHN-DGIBIBHMSA-N 433.360 6.869 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 15960953 PYEULDOPTJKFNF-UHFFFAOYSA-N 449.016 5.282 0 40 IKAB COc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1Cl 16195792 XKOAFEKOILQOBY-UHFFFAOYSA-N 447.760 5.375 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 16699339 KNAHKFFKWCNXMC-CQSZACIVSA-N 431.970 5.016 0 40 IKAB Cc1cc(C)cc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)c1 17010875 IIRHSCMZBJBCMH-UHFFFAOYSA-N 438.510 5.927 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@H](C)CC)cc3)cc2s1 17094537 CTJDBIMBQDRPQD-OAHLLOKOSA-N 425.554 5.566 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 17102189 ZZSNJXXWTZRLTF-UHFFFAOYSA-N 438.487 5.152 0 40 IKAB CCN(CC)c1ccc(N[C@@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 17289284 VJAFYJHWGYLCMM-HSZRJFAPSA-N 427.375 6.876 0 40 IKAB O=C(CCCSc1nc2ccccc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1 20522969 IWUKFZQBLODAAP-UHFFFAOYSA-N 432.520 5.339 0 40 IKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(Cl)cc1Cl)CO3 20610173 LHTIEJMZUMFSKB-UHFFFAOYSA-N 446.374 6.145 0 40 IKAB biogenic C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 26570899 KGICHBLSYNZKLD-WDEXKZMJSA-N 446.719 8.446 0 40 IKAB Sc1nnc(Cc2ccccc2Nc2c(Cl)cccc2Cl)n1-c1ccccc1 28294941 AVICYJKZILGYLW-UHFFFAOYSA-N 427.360 6.197 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2n1C(=O)c1cccs1 28535405 TVAXMOITFIOIFU-UHFFFAOYSA-N 430.316 5.533 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 33920297 GWFDKPXTLMKEHJ-SBHAEUEKSA-N 439.298 5.045 0 40 IKAB COC(=O)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 35647205 NHFCOYDGRJCCOD-OVCLIPMQSA-N 440.830 5.037 0 40 IKAB CC(=O)O[C@H]1C(=O)CCc2c1ccc1c2CC[C@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]12 36371913 NBPHAHNFMOQFSI-XCLZMCKQSA-N 438.652 6.961 0 40 IKAB Cc1ccc(SCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38836697 DZPGCTPASOAGEH-UHFFFAOYSA-N 437.436 5.422 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2 38944797 HZTUYRJERBMRTF-UHFFFAOYSA-N 445.466 5.609 0 40 IKAB CCc1ccc(N(C(=O)C[C@@H](NC(C)=O)c2cccs2)c2nc3ccccc3s2)cc1 40032305 DDWATJCZFZUWMO-HXUWFJFHSA-N 449.601 5.852 0 40 IKAB COc1cccc([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)c1OCc1ccccc1 49547722 OZFIUJMFDRIMLC-QFIPXVFZSA-N 437.565 5.650 0 40 IKAB CC(=O)N[C@H](C)c1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1 58310951 RZHUSCFFCYKNSR-CQSZACIVSA-N 446.532 5.223 0 40 IKAB Brc1cccc(-c2nnc(CN(CCc3ccccc3)C3CCCC3)o2)c1 58370773 BIOBQBJMCPITIJ-UHFFFAOYSA-N 426.358 5.486 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 59409663 RSUMDFBTCAAZNY-HOBRGOHXSA-N 443.031 5.085 0 40 IKAB biogenic 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@@]43C)OCN2C1 70691808 GRMUAQMHJKQVFL-AFMXNGOSSA-N 427.673 5.629 0 40 IKAB biogenic CC(C)n1c([C@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 72305827 WHQNZVCAMURVBQ-INIZCTEOSA-N 430.474 6.048 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 113959108 YFDOSTJHTQUVRT-XMMPIXPASA-N 440.631 6.249 0 40 IKAB 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=C/c2ccccc2)C1 118914948 JBTRSWYBSZRTOK-VYLJKRTJSA-N 436.636 6.405 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222771671 LMNBLBRWVABVNA-YADHBBJMSA-N 425.001 5.443 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 222853208 POMAELODHMXGQL-GOSISDBHSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223563258 KGCGLRSIIIFIES-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 223787567 MWPLARZJFSCQTM-UHFFFAOYSA-N 435.589 5.790 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224182102 TWUNCAVXBZUGRB-PKTZIBPZSA-N 441.512 5.217 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)c1 224183164 JBZPFZTUGLOEGN-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224232141 AYAQUZUNFTUWJM-UHFFFAOYSA-N 447.531 5.827 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224303341 VHMGSQFUGALZBK-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224583044 HAGJFBLDPYRCHR-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)ccc1F 224910051 XJXTVYWMPKZTFM-ZEQRLZLVSA-N 447.510 6.105 0 40 IKAB C[C@@H](NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1)c1ccc(Cl)cc1 225192282 WFKGGPJZVYWHAT-CYBMUJFWSA-N 434.417 6.587 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225306992 DKJTYYCIDWDTOP-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225601973 LILDXWAZSFBVAF-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1CCC(N2CCc3sccc3C2)CC1 225689194 LLKNIXJHPNZHIB-UHFFFAOYSA-N 436.552 5.342 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225751513 XKKLBWWEDSFKLC-XMMPIXPASA-N 435.951 6.807 0 40 IKAB O=C(NCCCc1cccc2ccccc12)c1cccc(OCc2ccccc2Cl)c1 225781090 ZFAOSNHRIKNQEM-UHFFFAOYSA-N 429.947 6.435 0 40 IKAB Cc1nn(C)cc1CNC[C@H]1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc32)CC1 257205278 AYIOURALQYPPBX-WGSAOQKQSA-N 438.641 5.145 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cc3c(nc2O)CCCC3)n1 257297724 RIPBELMLDKORKO-VWLOTQADSA-N 445.538 5.543 0 40 IKAB Clc1cc(NCc2ccc(OCc3ccccc3)c(Cl)c2)ccc1Br 408553827 CARRDSMQPPYYDJ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408555416 XHGNTHTXGKHPPC-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1NC(=O)c1ccc(C)cc1 408557423 MQUYILXSZCXTIS-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2F)c(Cl)c1 408557584 OYQDFWNNVYPAHM-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)c1 408571819 CRAAQIFNDSIJKJ-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1cc(Br)ccc1OCc1ccccc1 408577601 TYPFFCOMYNJYCR-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc(C)c1Cl 408703444 RTDHJISOLIEJGO-CQSZACIVSA-N 446.827 6.081 0 40 IKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCc3ccccc3)cc2)c1 408733350 HAQHHRVRSFZNSQ-NDEPHWFRSA-N 434.539 6.654 0 40 IKAB CCSc1nc2ccc(NC(=O)c3ccccc3C(=O)NCc3ccccc3)cc2s1 408749731 SOMZBSIJRIJXDN-UHFFFAOYSA-N 447.585 5.591 0 40 IKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Cl)cc1Cl 408847580 SYRISPXQYBDLFP-WLRTZDKTSA-N 443.138 6.859 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1 409099242 KHYQZZKNBMRXFS-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409104622 KGTPIHGGMDQQFQ-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)c2ccccc21 409112876 MDCFXTMYPDPEQL-ITYLOYPMSA-N 449.550 6.725 0 40 IKAB CCCOc1c(Br)cc(CNc2cc(C)ccc2C)cc1Br 409122248 ZNIBXJZQEOTOJF-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB COc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 409180835 WAMUACONBVYAHP-UHFFFAOYSA-N 438.310 6.574 0 40 IKAB C[C@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409208757 DCNTYRKHLIPSMF-YQNUULROSA-N 444.940 5.037 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cc(Cl)ccc3C)cc2)cc1 409356674 HARABWYDTCAZQR-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 1107605 KISYCZGTKPSHGP-OAQYLSRUSA-N 447.343 5.613 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 1333735 CAOTZWNJCCKTHM-HSZRJFAPSA-N 438.618 5.494 0 40 IKAB O=S(=O)(c1ccccc1)c1cc(Oc2ncc(C(F)(F)F)cc2Cl)ccc1O 1385649 AMSJLERTCUHYBK-UHFFFAOYSA-N 429.803 5.085 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C)c1-c1ccc(OC)cc1 2107960 IPXACSLJWVNGKQ-UHFFFAOYSA-N 427.522 5.761 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2742285 FCSQVHDVRZKUJD-UHFFFAOYSA-N 437.326 6.860 0 40 IKAB CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 3006741 AEWSVXVEOGUZNJ-DEOSSOPVSA-N 431.532 5.085 0 40 IKAB c1ccc(-c2nc(CSc3nnc(-c4ccccc4)c(-c4ccccc4)n3)cs2)cc1 3245099 LNLYSXSJAGHOFC-UHFFFAOYSA-N 438.581 6.621 0 40 IKAB CC(=O)c1ccccc1OCCSc1nnc(-c2ccncc2)n1-c1ccccc1C 3356403 BQOKMJDTIPBMIO-UHFFFAOYSA-N 430.533 5.011 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(C)C)cc3)c12 3405532 GDLFNDQLBKOGMB-UHFFFAOYSA-N 446.554 6.772 0 40 IKAB Cc1noc(C)c1CSCC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 3414100 MNRIGMWPKGEKLN-UHFFFAOYSA-N 425.535 5.565 0 40 IKAB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 4028971 DCGMIQMNIOQACA-WQVVCKPFSA-N 426.597 5.149 0 40 IKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCCC2 4150887 NLROFBIPUKNKJV-UHFFFAOYSA-N 440.568 6.214 0 40 IKAB CCCC[C@H](CC)CNC(=O)CCC(=O)Nc1ccc(OCCC2CCCCC2)cc1 4679018 APRGYLGFEAYDOR-NRFANRHFSA-N 430.633 6.087 0 40 IKAB CC(C)Oc1ccc(CNCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 5298087 BKLWWQLRSDDEMT-AREMUKBSSA-N 430.032 6.425 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc5c4-c4ccccc4C5=O)cc3)sc2c1 8448191 ZBWZDUZZPCFWGJ-UHFFFAOYSA-N 446.531 6.735 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3cccc(C)c3)cc2c1 8612051 JFUDRPNBSGLWKO-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 8755687 QYCCYYNGYKYMCA-KRWDZBQOSA-N 449.913 5.406 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccccc1Cl 9019141 NDNWGXCKTXFYOO-ZRDIBKRKSA-N 427.718 6.516 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 9057195 USYJKVNHOFDTJT-GGPYAICQSA-N 426.947 6.777 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 9062085 PHLDBWOLHKRWHZ-UHFFFAOYSA-N 448.482 5.323 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 9287770 FMFCOHLPZZTWAC-UHFFFAOYSA-N 425.897 5.522 0 40 IKAB CCC(=O)N(CC[C@@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccccc1F 9307431 DIPNBGIIEFXQJK-SANMLTNESA-N 446.006 6.426 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(C)(C)C)nnc1-c1ccccc1Cl 9307817 VEEZBITVAVNEGA-UHFFFAOYSA-N 428.989 5.647 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2cccc(C)c2)cc1 9309193 NNOUPDXQVIZCCM-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 9409229 IQYMWQFKRIDOJR-RUZDIDTESA-N 449.551 5.171 0 40 IKAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1O 9410071 RAOKSQLNKAEKIK-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)n1C1CC1 9465294 YOUYIITWOHDQOF-UHFFFAOYSA-N 443.576 5.117 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 9467418 FMJWODKLJWMEFV-MRXNPFEDSA-N 442.953 5.341 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccccc2Cc2ccccc2)n1 9581423 SWLJWOBYHYFANE-UHFFFAOYSA-N 439.584 6.229 0 40 IKAB CC[C@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 9591846 XNGFSQWIENNCDM-IBGZPJMESA-N 435.426 5.738 0 40 IKAB O=C1c2ccc(Br)cc2C(=O)N1c1ccc(Oc2ccc3ccccc3c2)cc1 9600619 YBTOWTIVRIMSTQ-UHFFFAOYSA-N 444.284 6.195 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)Cc4ccsc4)n3)ccc21 12220038 WQWYJLJBRSULTB-UHFFFAOYSA-N 439.606 5.012 0 40 IKAB c1ccc(COc2cccc([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)c2)cc1 12403958 NROMPVSVWHCGPF-XRKRLSELSA-N 432.523 6.508 0 40 IKAB CSCC[C@H](NC(=O)c1sc(-c2ccsc2)nc1C)c1nc2ccccc2[nH]1 12534955 FSPMPQXAVKJWFE-INIZCTEOSA-N 428.608 5.281 0 40 IKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@H](C)C(=O)Nc1ccccc1 12546450 KDJXWVBBMINEHI-GOSISDBHSA-N 447.991 6.620 0 40 IKAB CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N\c1ccc(S(=O)(=O)O)cc1 12633120 DKINSCKCIBUEJU-JZJYNLBNSA-N 429.350 5.022 0 40 IKAB CC(=O)Nc1ccc(Oc2nc(CN3CCC(C)CC3)nc3sc4c(c23)CCC4)cc1 12766410 MRURURYFOIACHD-UHFFFAOYSA-N 436.581 5.163 0 40 IKAB COc1ccc([C@H](C)NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)cc1F 12770978 VYWVCYQNTYMRDH-VSGCLNPGSA-N 426.513 5.069 0 40 IKAB Cc1noc(C)c1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C1CCCC1 13072511 CWWBZOIOTFFVRU-UHFFFAOYSA-N 437.590 6.137 0 40 IKAB Cc1cccc(CSCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 13687626 QGCGYBSCDXHYDJ-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Br)C(C)(C)C)cc2c1 13788081 QKQNLJKRPBGZBY-UHFFFAOYSA-N 427.342 5.040 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 13936074 RRNJTBKEFICRFS-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB C[C@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc34)c3ccccc32)C[C@@H](C)O1 13954987 HAGBIXZOMRJGGB-BGYRXZFFSA-N 444.600 5.723 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccccc1 13955581 VFRCBCKRGZLQNR-CLYVBNDRSA-N 437.543 5.289 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1cccc(C)c1 14082034 FLIRCOOWKACQSH-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB Nc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)C[C@H](c1ccccc1)CC3 15277071 VTVCDHGWRWFMKN-CQSZACIVSA-N 434.952 5.452 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 16706170 QNZVWABPXOZVLZ-UHFFFAOYSA-N 427.298 5.089 0 40 IKAB O=C(c1cc(-c2ccccn2)nc2ccccc12)N(Cc1ccccc1)Cc1ccccc1 16740417 CGHKEIRNFFTNAB-UHFFFAOYSA-N 429.523 6.139 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21)c1ccc(-c2ccccc2)cc1 17083429 CIHLAYABAKJJAQ-LJAQVGFWSA-N 433.507 5.361 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cc(Cl)ccc1Cl 17098314 NNYGVZLNNPFRPM-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCc1cccc(F)c1)C3 20610096 LMJBDRBGNISLHG-UHFFFAOYSA-N 429.491 5.226 0 40 IKAB biogenic COc1cc2ccccc2cc1C(=O)Nc1ccc2nn(-c3ccc(C(C)C)cc3)nc2c1 20610586 YLJMIKLQCORBSB-UHFFFAOYSA-N 436.515 5.958 0 40 IKAB S=c1n(CN2CCC(c3nc4ccccc4o3)CC2)nc(C2CC2)n1-c1ccccc1 22340720 NUAWHAQWUNCDOU-UHFFFAOYSA-N 431.565 5.259 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 24225608 HRZTVLSZJDBXMT-UHFFFAOYSA-N 439.437 5.482 0 40 IKAB Nc1nc(-c2ccccc2)nc(Sc2ccc(Cl)cc2)c1NC(=O)c1ccccc1 27562775 FPIAIVACOVNASN-UHFFFAOYSA-N 432.936 5.783 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 28206936 RJJBVYBJEVZZJX-INIZCTEOSA-N 440.952 5.041 0 40 IKAB Cc1cc(OCC(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)ccc1Cl 28288695 PQXNMIFFVPMSKA-QHCPKHFHSA-N 429.004 5.278 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCSCc1ccc(Cl)cc1 32340550 KIQWYDDCMKBGHD-UHFFFAOYSA-N 434.392 5.210 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 33000678 HFNNAWUNGXSDGV-UHFFFAOYSA-N 448.013 6.055 0 40 IKAB Cc1cc(-n2cccc2/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)ccc1Cl 33736530 XGHYUKUZIDAMIY-OGLMXYFKSA-N 438.918 5.698 0 40 IKAB Cn1nc(C(C)(C)C)c2c1-c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1C2=O 35623057 HUIUJNLMUZXOIP-UHFFFAOYSA-N 442.441 5.592 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35684914 KUKIYHPVKVZTEO-HNNXBMFYSA-N 434.805 5.101 0 40 IKAB COc1ccc(-c2nc(CSCC(=O)Nc3cc(C)ccc3C)cs2)cc1OC 57991120 PQICPVXHVYYUGX-UHFFFAOYSA-N 428.579 5.316 0 40 IKAB O=C(Nc1cccc(COc2cccc(F)c2)c1)c1[nH]nc(C2CC2)c1Br 58008561 NOMUMHBYECIYHG-UHFFFAOYSA-N 430.277 5.020 0 40 IKAB O=C(Nc1ccc(N2CCNC2=O)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 69951007 OXGDRGCZJZXIID-UHFFFAOYSA-N 425.410 5.154 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354123 SSLBKBSJHJJASP-FQEVSTJZSA-N 440.012 5.348 0 40 IKAB CCCCCOc1ccc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc1 84743221 VEMDKCKAAWJWQC-SILNSSARSA-N 430.548 5.878 0 40 IKAB Cc1occc1-c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1 89544253 OOQYTBTVGJDMRH-UHFFFAOYSA-N 444.585 6.311 0 40 IKAB Cc1cccc(C2=NN(C(=O)CCC(=O)O)[C@H](c3cc4ccc(C)cc4nc3Cl)C2)c1 95532177 FATFSUIDQQNTRD-NRFANRHFSA-N 435.911 5.048 0 40 IKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(Cl)cc1 100490179 GNXJPBMQIYRILC-SCIXCNGFSA-N 442.002 7.382 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222624497 QQVLTJAKAXYJBP-HTAPYJJXSA-N 449.422 5.301 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223835048 BTOQBGPEXYQKSX-LJQANCHMSA-N 429.004 5.340 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223977997 BYZSVIJVABSIRM-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224005232 OEWSRWRFNHFZSL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1C 224097823 NDNNMTVEWRTYPS-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)c1 224528493 AWLSDUBMKSEAEN-LOSJGSFVSA-N 446.620 5.801 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224596864 FBEJSNGHWQKRKW-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225098733 IOJPKHBPRDCUGP-SANMLTNESA-N 434.624 5.411 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225202545 LONLSYIDGFRAON-SJORKVTESA-N 435.395 5.258 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225377102 NBMOHUFFWSVXMY-RTWAWAEBSA-N 446.591 5.113 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225603994 CHJWQTQBAZVZAD-UHFFFAOYSA-N 443.863 6.021 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Cl)cc1)C[C@]2(C)NC(=O)c1ccc(Cl)cc1 257206176 BCENZROEUFUWAC-XKWXGUCDSA-N 432.391 6.448 0 40 IKAB Cc1nc2c(C)cccn2c1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257232490 GLBROZWTOZYZMT-HSZRJFAPSA-N 428.555 5.456 0 40 IKAB Cc1cc(C)cc(C2(C(=O)N3CCC4(CC3)CC(=O)NC[C@@H]4c3ccccc3)CCCC2)c1 257295835 RABZQKOWLHVHIZ-RUZDIDTESA-N 444.619 5.028 0 40 IKAB CN(CCC(=O)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1)c1ccccc1F 257320241 VVXALLFNWWHRMO-RUZDIDTESA-N 435.518 5.141 0 40 IKAB COc1cc(C(=S)NCc2ccccc2C)cc(Cl)c1OCc1ccccc1Cl 408572339 GHYJQUOWKVHWCF-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CN(c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)S(=O)(=O)c1ccccc1 408577738 JERHZLHNLVKEER-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c1 408693800 DWUFGVXQNWDKNO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2ccc(Cl)cc2)=N1 408990598 OEXWDIULUXZQCS-QHCPKHFHSA-N 447.991 6.186 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 409013763 VGHSEXVEYSIASE-DEDYPNTBSA-N 434.879 5.025 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1 409104875 KODVLTMISNGCOG-UHFFFAOYSA-N 428.989 5.602 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2ccccc2Cl)c(Br)c1 409117046 NGYVWKWDVTWKJR-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)cc1Cl 409159004 MGDQKXZTWRPWGA-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB O=C(Oc1cccc2cccnc12)c1ccc(COc2ccc(Br)cc2)cc1 409179479 OZFFHSIFSRLCNE-UHFFFAOYSA-N 434.289 5.796 0 40 IKAB Cc1cccc(C(=O)N2CCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)c1C 643584064 KPNVJAJRCDNMOK-QFIPXVFZSA-N 436.596 5.105 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 884413 JRVSRQFBILPVCS-SFHVURJKSA-N 447.629 5.536 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)c(C)c1 1839059 QRSCTJCWAWFGTL-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1)c1cccc(Br)c1 2071420 UNFKWXYYLRZAAO-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB Cc1ccc(C)c(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 2118976 PZTJCFWUMHVXEY-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic CCOc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 3011845 DPADNLRMRSKUJB-AZUAARDMSA-N 444.457 5.503 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nnc2-c2ccccc2)cc1 3293765 XFOAPRFYVLGLMK-UHFFFAOYSA-N 440.572 5.314 0 40 IKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)Cc1coc2cc(OC)ccc12 3547545 RGVDDURLWLVBLC-UHFFFAOYSA-N 449.334 5.168 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 3865111 SMNNPRYAEDCRGM-ZEWPVNIHSA-N 447.531 5.964 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1cc(C)cc(C)c1 4122966 CMYKWVFWHNDZPT-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CN(Cc1ccccc1)[C@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 5518877 ZUCWJCZDTZGBHU-PQHLKRTFSA-N 433.551 6.168 0 40 IKAB CCCCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 5792871 RNIJCNIWUSGVHJ-DEZGFPEKSA-N 442.772 9.213 0 40 IKAB biogenic,in-vitro CCCOc1ccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 6311320 WRBVOANFDHTYTM-JOCHJYFZSA-N 426.604 7.224 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c1C 8810044 RAJZYXCVNVAFQW-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 9355423 FJXCTGRPNBOCGN-LJAQVGFWSA-N 428.535 6.889 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 9357882 GYFFWCFUVULZGK-HSZRJFAPSA-N 426.479 6.230 0 40 IKAB c1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2ccccc2O[C@H]3c2ccccc2)cc1 9492828 CSEKHIFNYFDQSQ-LJAQVGFWSA-N 445.587 7.991 0 40 IKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)n1 9573392 YPBFPLDXZNDMRJ-UHFFFAOYSA-N 431.584 5.925 0 40 IKAB COC(=O)C1=NN(c2ccccc2C)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9590573 HCSIBTKOVGUUNG-RUZDIDTESA-N 442.544 5.089 0 40 IKAB Fc1ccc(OCc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 9711768 BVNNPJAVQCAMCN-UHFFFAOYSA-N 444.582 5.808 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)N1c2ccccc2C[C@@H]1C 9729529 XVOVQZQJECZWSE-ROUUACIJSA-N 444.560 5.045 0 40 IKAB CCn1c2ccccc2c2cc(CN(C)C(=O)Cc3cc(OC)c(OC)c(OC)c3)ccc21 9931871 SZRDPHZJIKOCMU-UHFFFAOYSA-N 446.547 5.041 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12194520 VPKVOZMFVMSPSR-VPUSJEBWSA-N 446.978 7.151 0 40 IKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1OC 12196784 TXROMJPSJISKAU-CJFMBICVSA-N 434.467 5.094 0 40 IKAB CN(C(=O)CC1CCCCC1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237242 HBXHOPIRMVFWJH-UHFFFAOYSA-N 437.609 5.433 0 40 IKAB Nc1c(C(=O)Nc2cccc(Cl)c2Cl)c2ccccn2c1C(=O)c1cccs1 12342127 RXMZARIXZUIEHD-UHFFFAOYSA-N 430.316 5.373 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1 12493886 UZOCBFRFPFOENV-HXUWFJFHSA-N 448.636 6.110 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 12529514 GYOVDRUKJSTHQO-VLIAUNLRSA-N 426.910 6.948 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1)c1ccco1 12680764 RMQRKGLKZCBIDR-LJQANCHMSA-N 431.517 5.509 0 40 IKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 12749704 ROGSNESYFKZBKP-HXUWFJFHSA-N 439.558 5.010 0 40 IKAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(OCc4ccccc4)cc3)cc2)n1 12815943 PQISSGVIZUTYJP-UHFFFAOYSA-N 431.517 5.502 0 40 IKAB COc1ccc(C[C@@H](NC(=O)Cc2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1 13109440 HDCYRZOHEPUHDZ-HSZRJFAPSA-N 444.358 5.653 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1 13115627 KQQFVPGHQMYNIP-UHFFFAOYSA-N 434.801 5.537 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)c3cc4ccccc4o3)n2-c2ccc(C)cc2)cc1 13134972 ATHVHNARLVCKMA-UHFFFAOYSA-N 439.540 6.272 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 13502680 YPHGJYYQOXUDKY-UHFFFAOYSA-N 426.541 5.759 0 40 IKAB Cc1cc(I)ccc1NC(=O)c1ccccc1OCc1ccccc1 13687211 JIMWHOOWTUHDOM-UHFFFAOYSA-N 443.284 5.431 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccccc2OCc2ccc(Cl)cc2)c1 14626403 GGSLIWWXLGZFRA-UHFFFAOYSA-N 436.939 5.247 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 15438678 YIHOOMZILFZNGR-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2cccc(Cl)c2)CC1 16568221 XVAVAKVJSTWHNV-UHFFFAOYSA-N 433.964 5.579 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3cccc(Cl)c3C)c(=S)n2-c2ccccc2)cc1 16769552 SBKJTJXXORBGOU-UHFFFAOYSA-N 448.979 5.979 0 40 IKAB CCOc1ccc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl 17094602 ZKACDKXCTFVIFI-UHFFFAOYSA-N 425.695 6.663 0 40 IKAB O=C(c1cccc(F)c1)N1CCC(c2nc(-c3ccsc3)cc(C(F)(F)F)n2)CC1 19293519 POCKBWAXMJWKPO-UHFFFAOYSA-N 435.446 5.383 0 40 IKAB Fc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(F)cc3)c2Cl)cc1 19648134 SWJFNHSKMZAPFD-UHFFFAOYSA-N 448.822 7.216 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cccc(F)c2)CC1 19700226 CCHKUDOKGBJJOI-UHFFFAOYSA-N 444.550 5.046 0 40 IKAB C[C@@H](Cc1cccc(C(F)(F)F)c1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 19853674 SQDNSYOYZJOLIH-HNNXBMFYSA-N 438.320 7.322 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccc(Cl)cc4)o3)o2)c1 19928354 WJAPKJQETHCDDL-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB Cc1cc(N2CCN(Cc3c(C)ccc4ccccc34)CC2)n2ncc(-c3ccccc3)c2n1 20502164 SCIGXRHREHUOQA-UHFFFAOYSA-N 447.586 5.489 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C(C)C)cc2)C4)cc1 20671799 SOYBCWOAEIYZEO-NRFANRHFSA-N 442.588 5.761 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 21595795 SROYJLKJVRDXEB-UHFFFAOYSA-N 449.978 6.665 0 40 IKAB COc1ccc(CNCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 22076783 FEZYIPQHBLOQBI-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB CCOc1cc(CN[C@@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C 25259638 KXTAFIMFQSNPHN-XMMPIXPASA-N 438.612 5.277 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C(C)C)C2CCCCC2)cc1 33526124 RXXRXPKCHNSJPT-UHFFFAOYSA-N 442.625 5.389 0 40 IKAB COc1ccccc1NC(=S)N(CCc1nc2ccccc2[nH]1)Cc1ccc(F)cc1 35310803 YRMYTGOVZBHEPB-UHFFFAOYSA-N 434.540 5.152 0 40 IKAB Brc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc3c(c2)OCO3)cc1 39579408 JVBXJTQXWYXJBP-CVDCTZTESA-N 449.304 5.420 0 40 IKAB Cc1cccc(-c2nn3c(N4CCN(c5ccc(Cl)cc5)CC4)cc(C)nc3c2C)c1 40216795 PSDPUDZYOWZHKP-UHFFFAOYSA-N 431.971 5.302 0 40 IKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cc(Cl)cc(Cl)c2)n1 40556433 MNDMUTKTAHZVER-UHFFFAOYSA-N 441.409 6.610 0 40 IKAB O=C(CCn1ccc2cc(OCc3ccccc3)ccc21)NCCc1c[nH]c2ccccc12 44900760 CTMVMVAJAQUAMZ-UHFFFAOYSA-N 437.543 5.451 0 40 IKAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 59392956 ZOCBSXIFFCCEFH-UHFFFAOYSA-N 428.926 5.040 0 40 IKAB S=c1oc(-c2ccccc2Br)nn1CN1CCC(Cc2ccccc2)CC1 59474360 QFUSIJNRYNGMIR-UHFFFAOYSA-N 444.398 5.547 0 40 IKAB CC(C)(C)c1cc(-c2nn3c(CN4CCCCCC4)nnc3s2)cc(C(C)(C)C)c1 71260584 KQBHTQJILZQDTO-UHFFFAOYSA-N 425.646 5.824 0 40 IKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72214594 GNZYXRKCLGZGOX-QFIPXVFZSA-N 437.584 5.847 0 40 IKAB CCn1ccnc1CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72350307 ZIVXLVGPKKMXNP-LJQANCHMSA-N 428.502 5.287 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCC[C@@H]3c3cccc(Nc4nncs4)n3)oc2c1C 72375537 ONASLWPHVBCHAA-GOSISDBHSA-N 433.537 5.325 0 40 IKAB O=C(Nc1ccccc1Br)NC1(c2nc(-c3ccsc3)no2)CCCCC1 77197570 QKXNVPUKHQAOMO-UHFFFAOYSA-N 447.358 5.542 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccs5)cc34)cs2)cc1 96154440 BQIKNTMOBSBUQS-UHFFFAOYSA-N 447.541 5.618 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 96398730 UUENVKHVYBAYBA-GCVBLISXSA-N 440.518 6.028 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1OC 102731726 CYLUTXFFSVLOFB-WAIKUNEKSA-N 432.476 5.314 0 40 IKAB O=C(CC12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2)Nc1ccc(SC(F)F)cc1 102988291 PERGSSVDPKZQAM-IJKBLAIYSA-N 430.358 6.064 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(C(=O)O)cc4C)o3)C2=O)cc1 106703544 OVGWTMWUGFSNFR-MTJSOVHGSA-N 433.485 5.498 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccccc1-c1csc(-c2ccccc2F)n1 206896592 SZTKRHSUDCNZIP-UHFFFAOYSA-N 434.561 6.981 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222862850 BKBPKCOMVAITAV-CQSZACIVSA-N 439.358 5.007 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 223268681 IQCOJJXBCXGUNY-SFHVURJKSA-N 448.588 5.204 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223404721 OTPKMIZWOVLSHE-QHCPKHFHSA-N 441.358 5.400 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(OC)cc1)c1ccccc1 223481586 HFTNJYUTRJCCCI-AREMUKBSSA-N 448.538 5.021 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)C 223969952 WBBLIDPOJUUPFC-QHCPKHFHSA-N 440.540 5.062 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224345119 RPXXLDOYJUOMOX-HSZRJFAPSA-N 429.004 5.340 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(Cl)c(C)c1 224540387 SHLDHQWFKJMNQC-UHFFFAOYSA-N 427.972 6.246 0 40 IKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 224563264 OTRWRQQRHCMWRB-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cccc3C)o2)c(OC)c1 224931310 RGHFYUQWYZRVTC-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1C 225150391 XSACYCMKFBGJIY-ZEQRLZLVSA-N 447.608 5.298 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225362387 OYYFRKXICZOURD-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 225634407 SKKBMVAVNOGOFI-LEYFIJQKSA-N 434.561 5.104 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 225657061 MRDKTEQGDKTGMX-RDPSFJRHSA-N 442.575 5.015 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc12 225944744 MPBYFDOPXVFPAC-UHFFFAOYSA-N 447.531 5.290 0 40 IKAB COc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 227147772 GIKUZTJNLBRWFB-UHFFFAOYSA-N 435.705 5.514 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CN1CCC(c2cccc(Nc3ccccn3)n2)CC1 257314633 UXUACZUUINLYNJ-UHFFFAOYSA-N 425.536 5.072 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@H](C)C2)cc1 260816918 SBIZTRCUQCYSGO-QFIPXVFZSA-N 432.649 5.603 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C(c2ccccc2)C[C@@]1(O)C(F)(F)F 408562865 FXXRMZOKJPXSDP-HSZRJFAPSA-N 446.469 5.001 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408581318 WCRXAYXMDXDUQC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1ccc(Br)cc1 408668279 DHBOCAUUFGDZHA-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408673512 XBWPYSXKDCGFCW-HXUWFJFHSA-N 443.543 5.370 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c1C 408695048 OIFYXBXWZYCLSA-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408820149 UHECDXOYSHSNHS-YVLHZVERSA-N 434.311 5.097 0 40 IKAB COc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccc(C)cc1 409035359 SJLJZAGDQDZRFX-JCMHNJIXSA-N 444.556 5.187 0 40 IKAB Cc1cccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1C 409120708 SCRJNKRAUGLTKA-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CCCN(C(=O)C(C)(C)C)C2)ccc1Cl 2037905524 WMZDEXDFIPMGRA-RUZDIDTESA-N 449.035 5.085 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(Cc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 671465 MKOQBKNPCWCOEM-UHFFFAOYSA-N 434.539 5.640 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 714856 ANILZHIAVXONTN-BBRMVZONSA-N 440.809 5.051 0 40 IKAB CCn1c(C)[n+](CCC[n+]2c(C)n(CC)c3ccc(Cl)cc32)c2cc(Cl)ccc21 827773 CWFICATYHXALHQ-UHFFFAOYSA-N 431.411 5.225 0 40 IKAB COc1cccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 884345 FUKUFBFQXBGCME-RTBURBONSA-N 430.430 5.113 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(Cl)cc2)C1=O)Nc1cccc(C(F)(F)F)c1 1242420 IGTHMYFIOZXWIZ-NVNXTCNLSA-N 440.830 5.034 0 40 IKAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 1320439 KJJXZVHYDJVDIN-MUUNZHRXSA-N 427.544 5.263 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)N(CCc1nc2ccccc2[nH]1)Cc1ccccc1 1360640 AIBBMKAGRXKMHU-UHFFFAOYSA-N 438.453 5.859 0 40 IKAB COc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1OC 1798846 SMEVVCCXYQHTEQ-HSZRJFAPSA-N 447.383 7.117 0 40 IKAB CCCOc1cccc(C(=O)Nc2scc(-c3cc(C)ccc3C)c2C(=O)OCC)c1 2088380 AHFXVPXWRQDLQZ-UHFFFAOYSA-N 437.561 6.250 0 40 IKAB O=C(NCCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2138708 XXZFNTWBJOZUJW-UHFFFAOYSA-N 449.510 5.474 0 40 IKAB biogenic Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)c(C)c1 2373814 OSMCIUUYVIEFAM-UHFFFAOYSA-N 441.922 6.622 0 40 IKAB COc1cc(Cl)ccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 2714799 SFBDEHKKGXEEJK-UHFFFAOYSA-N 444.897 6.632 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccc2F)CCCCC1 3093171 OBRDBEWEDKNNIM-UHFFFAOYSA-N 448.538 6.020 0 40 IKAB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 3265513 XOPLIUHIUWQKAZ-UHFFFAOYSA-N 449.004 6.677 0 40 IKAB O=C(COC(=O)[C@@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1OC(F)F 3301056 UIJALNBWBLJWRS-NRFANRHFSA-N 443.471 5.303 0 40 IKAB Cc1cc(C)c2nc(NC(=O)c3ccccc3NS(=O)(=O)c3cccs3)sc2c1 6146600 DNVHVKUAFLHRNF-UHFFFAOYSA-N 443.575 5.028 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3N3CCCC3)cc(-c3ccccc3)nc21 7986815 JBCSIZCUNFTYJE-UHFFFAOYSA-N 425.536 5.532 0 40 IKAB Cc1ccc(S(=O)(=O)N=S=C(Sc2ccccc2)c2c(C)cc(C)cc2C)cc1 8383816 VNAFAWSOEOBJNY-UHFFFAOYSA-N 441.643 5.846 0 40 IKAB CCC(=O)c1ccc(Oc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc23)cc1 8433166 RWJAUQVKBTUOOS-UHFFFAOYSA-N 436.536 7.410 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)cc4C)cc3n2)cc1 8437809 TZANPSOEPKZSKT-UHFFFAOYSA-N 442.563 5.706 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 8755461 KOWSDHUZBDXRQG-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1cc(CCC(=O)Nc2nc(-c3ccccc3Cl)cs2)cc(OC)c1OC 8825910 CMEIGTFGKAGHOD-UHFFFAOYSA-N 432.929 5.061 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3ccc(F)c(F)c3)[C@H](c3ccco3)C2)cc1 8849210 MPXWHJVPSUKGQQ-FQEVSTJZSA-N 428.460 5.036 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cc(C)c(C)cc3C)c3cc(Cl)ccc32)cc1 8922737 ZSPZTRMVHYXWQZ-MHZLTWQESA-N 447.962 5.581 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 9049566 SSOHQLPNCWJKJC-UHFFFAOYSA-N 448.979 5.686 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1Cc1ccccc1 9056384 WJBVQWGJRJQHMJ-UHFFFAOYSA-N 444.560 5.114 0 40 IKAB CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9192276 KPKGPJJTOBOQHF-QHCPKHFHSA-N 442.540 5.585 0 40 IKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccccc2Br)c1 9358148 PKWJCGTXSLOVLI-UHFFFAOYSA-N 447.332 5.446 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2ccc(C)cc2)c1 9387228 AHGBLNJJTKHDIU-LEWJYISDSA-N 430.548 5.511 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(COc3ccc(C(=O)c4ccccc4)cc3)cs2)cc1 9414291 GTIXXVRUCOOJCS-UHFFFAOYSA-N 442.540 5.443 0 40 IKAB Cc1nc2sc3c(SCc4ccc(F)cc4)ncnc3c2c2c1COC(C)(C)C2 9462214 DVBHYRDZKIGSRI-UHFFFAOYSA-N 425.554 5.831 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)ccc1Cl 9583327 XQIJMSQGAMKJGU-QGZVFWFLSA-N 425.941 5.054 0 40 IKAB CC(C)n1c(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 9595201 AFDZRLQAXJJADX-CYBMUJFWSA-N 442.491 5.670 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@H](c4ccc(C)cc4)[C@@H]2C3(Cl)Cl)cc1OC 12318514 LVZMIAHNYYARKX-KMDXXIMOSA-N 441.354 6.236 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(OCC)cc32)cc1 12485084 PJIXGNGBPURLGK-UHFFFAOYSA-N 431.511 5.837 0 40 IKAB CCCCOc1ccc(C2=NNC(c3cccnc3)=Nc3ccc(Br)cc32)cc1 12485152 FZXJZYUWCYIEGI-UHFFFAOYSA-N 449.352 5.457 0 40 IKAB CCOc1ccc(C2=Nc3ccc(Br)cc3C(c3cccs3)=NN2)cc1 12497594 BAXCZGHXHUYORX-UHFFFAOYSA-N 426.339 5.343 0 40 IKAB O=C(CCC(=O)c1ccc(Cl)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 12624358 OMQXEWMKJKBSRY-UHFFFAOYSA-N 433.976 5.340 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2cnc3scc(-c4ccc(C)s4)c3c2=O)c(Cl)c1 12758122 IVGLHWOGXMUOIA-UHFFFAOYSA-N 443.981 5.404 0 40 IKAB CC(=O)N(c1nc(CSc2nnnn2C2CCCCC2)cs1)c1ccc(C)cc1C 12805662 XYGNAJHENHRKKR-UHFFFAOYSA-N 442.614 5.229 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(-c4cccs4)n3CC)cs2)cc1 12918189 GFVRKJPLRMORSQ-UHFFFAOYSA-N 428.608 5.841 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13114509 ZQYKLENGNPYRAR-ZHRRBRCNSA-N 442.540 5.584 0 40 IKAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1cccc2ccccc12 13126850 VTXCYNJVNQMWTE-KRWDZBQOSA-N 428.561 5.267 0 40 IKAB Cc1ccc(-c2csc3ncnc(OCC(=O)Nc4c(Cl)cccc4Cl)c23)cc1 13141232 HSCXTCTYIHJTCM-UHFFFAOYSA-N 444.343 5.991 0 40 IKAB C[C@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405264 NKAAAQIOGVGJLI-XNGOEPGBSA-N 442.640 6.925 0 40 IKAB biogenic CCCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(OC(F)(F)F)cc32)cc1 13503425 YWDHMRSZOWPXHD-UHFFFAOYSA-N 445.466 5.869 0 40 IKAB O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1ccc(Br)cc1 13590701 PVNQGPIZASRKOU-UHFFFAOYSA-N 436.349 5.718 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)Cc3ccccc3)c2)cc1 13628698 CIEOBIKLXOUGSD-UHFFFAOYSA-N 445.588 5.292 0 40 IKAB COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3CCC(C)C)c3ccccc3n2C)c1 13942498 NCMPNOIVXFBJOT-MUUNZHRXSA-N 438.571 6.445 0 40 IKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(Cl)cc(Cl)c3o2)ccc1C 14272160 CJTBSQWPPNWDFX-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB O=C(CSc1ccc(F)c(F)c1)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14673304 DQPCIFVBSXHNCV-UHFFFAOYSA-N 428.291 5.247 0 40 IKAB COc1ccc([C@@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c(OC)c1OC 16215738 PDLSYQWSTDVRAT-RUZDIDTESA-N 441.487 5.032 0 40 IKAB CC[C@@H]1CCC2=NN(c3nc(-c4ccc(OC)cc4)cs3)[C@](O)(C(F)(F)F)[C@@H]2C1 16957501 VJMQHCUMDADTEK-KPAZRMRSSA-N 425.476 5.072 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccccc1Cl 17099288 NXSDBPFNBDAIBF-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)c1 19946626 JVNNKZDBJCOBLV-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(O)c1cc(NC(=O)c2cccc3c(Br)cccc23)c(Cl)cc1Cl 20139029 RAHDWDBPZAAGAE-UHFFFAOYSA-N 439.092 5.860 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(CSCc2ccccc2)cc1 20238905 DVRJASVCMWFLIQ-UHFFFAOYSA-N 442.049 6.437 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255690 AKROUNOHGWXMGA-JTHBVZDNSA-N 446.595 5.397 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)N(C)Cc3cccc(Cl)c3Cl)cs2)cc1 23490272 MCZBDJVQMUTJTR-UHFFFAOYSA-N 435.376 5.538 0 40 IKAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12 23689146 CZPXMWTUVSMWAW-UHFFFAOYSA-N 436.559 5.214 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)no2)cc1 27580987 UHISRIVCZUYIQV-UHFFFAOYSA-N 437.543 5.197 0 40 IKAB O=C(Sc1nc2ccccc2n1C(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 28294782 PBBYIDAYVWQCIC-UHFFFAOYSA-N 427.312 5.964 0 40 IKAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3ccc(Cl)cc3)[nH]c12 33063886 RIZKXZKUNMNDQD-UHFFFAOYSA-N 434.948 6.035 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 33662232 QTUBFCLWLSTORN-UHFFFAOYSA-N 434.706 5.895 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)c1 33662559 VOSFWOZDORDMML-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 34896180 RLVBNTHWXXXBGW-UHFFFAOYSA-N 429.347 6.350 0 40 IKAB COc1cccc(-c2noc3nc(C4CC4)cc(C(=O)Nc4cc(C)n(C(C)C)n4)c23)c1 36619350 MADRQLVNGXCNSR-UHFFFAOYSA-N 431.496 5.114 0 40 IKAB COc1cc(NC(=O)Nc2ccc3c(c2)C(=O)Nc2cc(C)ccc2O3)cc(OC)c1OC 36705409 ADIXXTAFVGDISC-UHFFFAOYSA-N 449.463 5.023 0 40 IKAB Cc1cccc(NC(=O)N2CCC(C(=O)N[C@H](Cc3ccccc3)c3ccccc3)CC2)c1 40146615 CFPSTSCLHIPYQZ-AREMUKBSSA-N 441.575 5.339 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2cc1C 40717282 DPDKZGPSOCRQQH-UHFFFAOYSA-N 442.559 6.735 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1cccc2[nH]ccc12 58182700 DPEFIKLPAFVNIY-UHFFFAOYSA-N 425.517 5.146 0 40 IKAB CC(C)c1noc(-c2ccc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)cc2)n1 58247574 ONSTXODDJNBVKV-CYBMUJFWSA-N 430.302 5.029 0 40 IKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3ccccc3)C2)c1 59348247 AENVFYZWHNNPEJ-FQEVSTJZSA-N 429.520 5.670 0 40 IKAB COc1ccc(-n2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 67258869 IOXFXLGBNHXALH-UHFFFAOYSA-N 426.900 5.479 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)c(F)c1 96037780 ZNJYLBSKKFWYGB-UHFFFAOYSA-N 427.483 5.117 0 40 IKAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1cccc3[nH]ccc13)C(=O)OC2 96115546 YAJLNTIKGJITNE-OVCLIPMQSA-N 448.519 5.072 0 40 IKAB biogenic O=C(O)c1ccc(-n2c(-c3ccc(Cl)cc3)cs/c2=N\C(=O)c2ccccc2)cc1 100837488 IYXPQWCFIHQKDD-BZZOAKBMSA-N 434.904 5.299 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 102704707 FWDPHRPQKVGFJL-ALTZYDRJSA-N 446.506 5.060 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106738198 YSSFKIXJASNMAH-SCDVKCJHSA-N 445.924 5.340 0 40 IKAB O=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCSCC1 108895480 TWYRYJPNOGBCHL-UHFFFAOYSA-N 438.603 5.668 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1C 108949928 RRHFVFPQNDOKKL-CQSZACIVSA-N 449.407 5.697 0 40 IKAB O=C(NCCCN1CCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 216398070 PWUXRJUWRBCBLU-UHFFFAOYSA-N 432.589 5.040 0 40 IKAB Cc1cccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222737268 VKYJLPXPLKJMAN-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224069430 XPPMOQUYZXKDKC-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 224543520 CLQQMKKFFZIGDC-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cccc(OCc2ccccc2Cl)c1 224687604 JNPGSDZQEWJKBP-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1OCC 225060453 VPGIIKMFUKXSFE-SFHVURJKSA-N 432.520 5.227 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 225246646 QQUPDMKMGXJVIQ-HSZRJFAPSA-N 445.003 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225333803 MATWGMNGCCMWBM-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 225553065 YKLDCRPPYUMDKJ-IBGZPJMESA-N 436.983 5.368 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 225592921 BKOLJJDGFYMSPF-DEOSSOPVSA-N 449.978 6.731 0 40 IKAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)c1 225814729 DOYCPZFNHZYMGM-UHFFFAOYSA-N 426.851 5.204 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)CC(C)(C)C)CC2)c1 257264863 LWHIIQARBHXJMN-UHFFFAOYSA-N 434.624 5.338 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1[C@H]2CC[C@H]1CC(Cc1cccc3ccncc13)C2 257338933 YZMGWYIXEHIZQM-UIOOFZCWSA-N 436.559 5.106 0 40 IKAB COc1cccc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 257340301 ZFKGLDNOSBVOEG-QFIPXVFZSA-N 440.509 6.079 0 40 IKAB S=C(NCc1ccccc1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408572465 HFZJZFCFSQVTBN-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OC 408622505 QVWZZLWOISUQNQ-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c(C)c1 408638633 CVCBKYVKUJHLLV-CQSZACIVSA-N 435.749 5.019 0 40 IKAB CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)cc3)cc3ccccn23)cc1 408675803 KQFOLLMYXIJEDR-UHFFFAOYSA-N 426.516 5.779 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C(=O)[C@H]2C1 408686339 SFGYOCLOWICVSP-SJORKVTESA-N 429.303 5.091 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)cc1 408693733 CQOXCPRSEKIKMO-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(F)cc2)c1 408700014 YJLLRNKMFMGMCV-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1ccc(Cl)cc1 409172199 CWBZUXDEAWMOIL-GZTJUZNOSA-N 436.880 5.058 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)c1ccc(Cl)cc1 409353109 GUHUCRINKPFJSW-CXUHLZMHSA-N 425.815 5.278 0 40 IKAB COc1ccc2cc(CNC(=O)Nc3cccc(NC(=O)Nc4ccccc4)c3)ccc2c1 642477652 JJVBZSHCNTWUSD-UHFFFAOYSA-N 440.503 5.814 0 40 IKAB Fc1ccccc1O[C@H]1COC2(CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C1 1848352716 YRBUVBOUDLJKEU-XMMPIXPASA-N 448.538 5.002 0 40 IKAB CCc1cc([C@@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298777 WVNOLNHHUSNHJT-JOCHJYFZSA-N 440.996 5.638 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 1353170 CAMFEASWXKCRTB-UHFFFAOYSA-N 429.495 5.252 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)cc2c1 1353239 YKAMWYSXUYEKQX-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(C)cc4)ccc3c2=O)cc1 1448100 HJYHNUCZYRXGEL-UHFFFAOYSA-N 430.456 5.649 0 40 IKAB biogenic COc1ccccc1C(=O)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 2199698 APIFJKHXDWRJPJ-UHFFFAOYSA-N 429.453 5.298 0 40 IKAB biogenic CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 2220323 BOXKOMATLGEMJV-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)cc1 2424073 LNTSSPDJTZNCTK-UHFFFAOYSA-N 448.548 5.190 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccc(C)cc2)cc1 2442285 RKGGBJNYFRVVQO-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB O=C(CSc1nnc(-c2cccs2)o1)Nc1cc(Cl)ccc1Oc1ccccc1 2621246 GDSSPHQHLBMLNB-UHFFFAOYSA-N 443.937 5.975 0 40 IKAB Cn1c(-c2ccccc2)c(-c2csc(Nc3ccccc3C(F)(F)F)n2)c2ccccc21 2657305 GVJQPVOVAZHAMQ-UHFFFAOYSA-N 449.501 7.731 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(C)c(C)c3)cn(Cc3ccccc3F)c2cc1OC 2699076 ATOCADRMUMNDRT-UHFFFAOYSA-N 445.490 5.054 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)COc3ccccc3)c2C(=O)OC)cc1 2889746 HYJRPQWNDZCXPM-UHFFFAOYSA-N 425.506 5.008 0 40 IKAB Clc1ccc(CNc2nc(SCc3ccccc3Cl)nc3ccccc23)cc1 2933041 AGQFAJWFOZBSEL-UHFFFAOYSA-N 426.372 6.841 0 40 IKAB CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc1 3171010 OQOALGFCXILITR-UHFFFAOYSA-N 438.578 5.578 0 40 IKAB CC(C)(C)CC(=O)N(Cc1ccccc1)C[C@@H](O)COc1ccc2oc3ccccc3c2c1 3236476 JRGKVUCWJNSHIP-OAQYLSRUSA-N 445.559 5.791 0 40 IKAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(F)cc1 3277765 IWAKNHOQEDEBPZ-RUZDIDTESA-N 429.520 5.453 0 40 IKAB COc1ccccc1Nc1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 3359639 HPZCTQHECYFUSN-UHFFFAOYSA-N 431.533 6.562 0 40 IKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)F)cc1 3369276 YVJJWMPAOZTRSV-UHFFFAOYSA-N 428.504 6.712 0 40 IKAB O=C(CCCSc1nnc(-c2cccs2)n1C[C@H]1CCCO1)c1ccc(F)cc1 3378846 INHNFMXFKVMNHK-QGZVFWFLSA-N 431.558 5.080 0 40 IKAB CCOC(=O)COc1ccccc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 8452973 HBPVJNOSTHINLM-BMRADRMJSA-N 439.511 5.926 0 40 IKAB CC(C)(C)c1ccc(Oc2c(-c3ccc(Cl)cc3)nc3ccccc3c2C(=O)O)cc1 8781709 MRJKRURWEXJWMT-UHFFFAOYSA-N 431.919 7.343 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 8868728 WRMZXHQOKNCQOF-KRWDZBQOSA-N 428.743 5.233 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 8869434 YHYPRHUGLRIGLY-QHCPKHFHSA-N 429.472 5.229 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccc(Cl)cc1 8871536 KZTOJAFOSJFQBR-KRWDZBQOSA-N 436.342 5.912 0 40 IKAB COc1ccc(N2C(=O)[C@@H](CSc3ccc(C(C)(C)C)cc3)[C@@H]2c2ccccc2)cc1 8888275 PXQZVWQDPVVHKV-DQEYMECFSA-N 431.601 6.489 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(NC(C)=O)cc1)C(C)(C)N2 8916751 UYNPWJSSBBHQHC-FLFQWRMESA-N 425.579 5.727 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)Cc3ccc(Cl)cc3)ccc2Oc2ccccc21 8961176 NWHZFQDXRSJGKI-UHFFFAOYSA-N 442.924 5.054 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N2CCC(CCc3cc(F)cc(F)c3)CC2)cc1 9191938 LQGBGJDOSNVEEN-UHFFFAOYSA-N 432.536 5.183 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccccc2Cl)n1 9250077 WMKKSDHHLOQWPU-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB O=C(CSc1cn(Cc2cccc(F)c2)c2ccccc12)Nc1cccc2ccccc12 9394357 SSHVVKPUBBSMET-UHFFFAOYSA-N 440.543 6.713 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)cc2C)c1 9428534 BGXMWDXHDNOKTG-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)cc1 9531297 MUCKECRIZRAIKH-TZIWHRDSSA-N 440.591 6.723 0 40 IKAB O=C(Nc1ccccc1Cl)C(=Cc1cccc(F)c1)C(=O)Nc1ccccc1Cl 9664815 UGXVEKXUGNGEIX-UHFFFAOYSA-N 429.278 5.793 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1nc(-c2ccc(Cl)cc2)no1 9671592 DZCGVXSOFCWFHD-UHFFFAOYSA-N 448.335 5.043 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N(C[C@@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 11139706 HLFNSGCEZBATAD-VIFPVBQESA-N 449.331 5.769 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3F)nnc2-c2ccccc2)cc1 11196698 LPKORTBDKMWHEN-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(Cl)cc2s1 11612418 URCVIPMEDYVSMF-UHFFFAOYSA-N 437.996 6.092 0 40 IKAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)c2cc(C3CCCCC3)no2)C1 12238667 MAGSRJPSERVQHP-NRFANRHFSA-N 431.540 5.018 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 12437163 GNFWESXQFQMADC-GICHQNDMSA-N 440.370 5.668 0 40 IKAB Brc1ccc2oc(SCc3nc4ccccn4c3Br)nc2c1 12600246 JUHOLNMJORKULM-UHFFFAOYSA-N 439.132 5.293 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(Br)ccc1Cl 12627677 QMPZFFDMIZXWHU-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1Cc1ccccc1 12686549 FTNVPEWHXDENDA-SFHVURJKSA-N 428.561 5.421 0 40 IKAB CCCn1c(SCc2nc3cc(Cl)ccc3c(=O)[nH]2)nnc1-c1ccc(Cl)cc1 12856780 DSGXYMOZPMCRTI-UHFFFAOYSA-N 446.363 5.191 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1noc(-c2ccc(Cl)cc2)n1 12908574 FWIGPZQXJNMABB-UHFFFAOYSA-N 448.335 5.043 0 40 IKAB COc1cccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)c1 13058731 CWMAZESHSQWZAL-QHCPKHFHSA-N 436.577 5.047 0 40 IKAB CCc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2[C@H](C)c2ccccc2)cc1 13121236 FCDYBSRFBNFXOQ-WZONZLPQSA-N 435.593 5.633 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1OC 13674363 PPUMFIZZJREILO-UHFFFAOYSA-N 449.981 5.450 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1 13751935 RFQBIYMAMILLPK-UGKGYDQZSA-N 439.309 5.601 0 40 IKAB CCCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(OC)ccc3nc21 13811189 HTSKKFBUVYZWKJ-UHFFFAOYSA-N 439.313 5.018 0 40 IKAB CCCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 14068154 XRCQIWGLCJWKHF-LJQANCHMSA-N 426.973 5.121 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 14163158 MYNQWOMIFDXIAF-AREMUKBSSA-N 443.978 5.876 0 40 IKAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCN(Cc2cccc3cccnc23)CC1 14170353 HGAHIOVHBPEDOI-UHFFFAOYSA-N 431.923 5.106 0 40 IKAB CCCC(=O)Nc1ccc(OCC(=O)N[C@H](C)c2ccc3ccccc3c2)c(C(C)=O)c1 14734979 ZOWKYZHNYXOJRH-QGZVFWFLSA-N 432.520 5.037 0 40 IKAB Cc1c(C(=O)Nc2ccc(Cl)cc2)sc2c1[C@H](c1ccc3c(c1)OCO3)CC(=O)N2 15106781 JICHAFKSBBFJOC-HNNXBMFYSA-N 440.908 5.165 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2/C(C)=C/c2ccccc2)cc1 15413192 KMRGNISAKBRHEX-JXJSOSRJSA-N 440.543 5.164 0 40 IKAB O=C(/C=C/c1ccc2c(c1)OCO2)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 16035715 PPJZVUPOFNTYPO-PUHSMXRQSA-N 425.440 5.077 0 40 IKAB C[C@H](Sc1nnc(Nc2ccc(F)cc2)s1)C(=O)Nc1ccccc1C(F)(F)F 16326320 MAADPJDZMCRWPC-JTQLQIEISA-N 442.463 5.559 0 40 IKAB Cc1sc2nc(SCC(=O)c3ccc(Cl)c(Cl)c3Cl)n(C)c(=O)c2c1C 16755689 QRJDLTOYHMICKI-UHFFFAOYSA-N 447.796 5.547 0 40 IKAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1ccccc1C(F)(F)F 16841432 OONUHIQHFCCYCS-UHFFFAOYSA-N 446.429 5.285 0 40 IKAB COc1ccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 16954263 VLDZNAFYGKPEEN-UHFFFAOYSA-N 436.519 5.222 0 40 IKAB CCOc1cc([C@H]2NC(=O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc(Cl)c1O 17085954 KIGVNDDVIMLPAK-BLVKFPJESA-N 434.989 5.511 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Cc4ccncc4)cc3)o2)cc1Cl 17096230 HJOCGVANZHWPOM-PKNBQFBNSA-N 428.919 6.546 0 40 IKAB COc1c(C(=O)Nc2nc3ccc(F)cc3s2)cc2ccccc2c1Br 17097364 NARXZAMCISMLGR-UHFFFAOYSA-N 431.286 5.612 0 40 IKAB Cn1cc(CN2CCC[C@@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 19290446 VRDNAAHOVQVDHB-SKCUWOTOSA-N 444.623 5.223 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc3ncccc23)C1)c1cccs1 19400734 LUCARIUSSHTQDA-CPJSRVTESA-N 442.588 5.075 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@H](C)CC)cc4)ccc3o2)cc1 19641060 PKMHJIRRDSOHSU-GOSISDBHSA-N 444.531 6.425 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1C 20045954 MFGJAMCTQRJPDT-LJQANCHMSA-N 445.300 5.549 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)on1 20137660 ORNTZUTXYDEADE-UHFFFAOYSA-N 441.318 5.762 0 40 IKAB CSc1nc(SCc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CN(C)CC3 20393568 OALSMSLAUVSZDI-UHFFFAOYSA-N 442.462 6.000 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc1 21595640 WBPYUQCCFZHHMH-MRXNPFEDSA-N 431.374 5.624 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCC(OCC)OCC)ncnc3[C@@H]2C2=C1CCC2 26464487 PKGPRHGUZIZZME-GHTZIAJQSA-N 433.643 5.609 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccc(Cl)cc2)c2ccccc2)c1C 26770753 AYNUWIUZNJYLFX-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB CCN(C(=O)COc1cc(C)cc(C)c1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993186 TZFONCIGXGUNMW-NDEPHWFRSA-N 442.559 5.810 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1sc(=O)n(CC(=O)Nc3ccc(Cl)cc3)c1SC2(C)C 28294965 WAWXYVHSHMUVNL-DAXOMENPSA-N 437.030 5.606 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCc2ccccc2Cl)n(-n2cccc2)c1=O 28536349 GYNGAFNVXPPJDQ-UHFFFAOYSA-N 437.956 5.057 0 40 IKAB CCN(C(=O)c1ccc(OCc2csc(C)n2)c(OC)c1)c1nc2ccccc2s1 40060267 SFJFGWMGQRIFIN-UHFFFAOYSA-N 439.562 5.316 0 40 IKAB Cc1ccc(Cn2c(SCc3ccc(F)cc3)nc3c(sc4ncccc43)c2=O)cc1 45924317 RVJAAFXYBCHDQA-UHFFFAOYSA-N 447.560 5.794 0 40 IKAB O=C(O[C@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)CCc2ccccc2)CC1 48326336 JCPKADNJWUXCOU-HHHXNRCGSA-N 441.571 5.385 0 40 IKAB Cc1nc2ccc(C(=O)Nc3nc(-c4ccc(OC(F)F)cc4)c(C)s3)cc2nc1C 57996860 ZOPFJGPRGPWCJN-UHFFFAOYSA-N 440.475 5.532 0 40 IKAB COc1ccc(Cl)cc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1nccs1 67295973 KDHLIKIIAWPFMZ-GFMRDNFCSA-N 441.896 5.045 0 40 IKAB CC(C)c1nccc(C2CCN(CC(=O)Nc3c(Cl)cc(Cl)cc3Cl)CC2)n1 89893782 HQWIYWAIILHWIE-UHFFFAOYSA-N 441.790 5.378 0 40 IKAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1cccc2c1ccn2Cc1ccccc1 96118721 ACHSDIUCUGJDEL-UHFFFAOYSA-N 436.515 5.241 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C1 100091932 XJMUWCWXHCWODG-GYCJOSAFSA-N 446.925 5.911 0 40 IKAB CCCCOc1ccc([C@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1 103758325 QMPUSDLOWCVCTC-HHHXNRCGSA-N 426.560 6.566 0 40 IKAB CC(C)Oc1ccc(CCCNS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 216339767 SIVKMHLGUPADBL-UHFFFAOYSA-N 425.550 5.177 0 40 IKAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc(Cl)c1OC(C)C 222578062 VRVQWYPGYKNZNM-GKCIPKSASA-N 431.989 5.510 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222654814 FQHZTNZNNJOWSU-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222747032 CRNYXZUHZDARQT-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 223140359 IAFRZXHNRFCOKX-CABCVRRESA-N 439.358 5.007 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C 223397560 GOWDMCOARVLXIA-FTJBHMTQSA-N 438.600 5.662 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 223568516 UOXNZXHOIVUGBW-UXHICEINSA-N 442.559 5.462 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223701459 WRXFTPDEIMFLPR-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Sc2ccccc2)nc1 223994091 WFGYJZXNYZBPQQ-UHFFFAOYSA-N 433.646 6.421 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019793 GJHGQTFHISLXAA-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 224214440 IPIVNCVUPLJNFY-MHZLTWQESA-N 442.603 5.461 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1c1ccc(Cl)cc1 224475626 OROCQSKHRHPHJP-PKTZIBPZSA-N 445.979 5.157 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccc(C(C)(C)C)cc1 224520065 QXEXQSJGVHOBNN-UHFFFAOYSA-N 445.603 7.085 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224539177 GPUDICADHMQNPW-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960795 IOABFTXALPDOAJ-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224964610 QCYJYAAQPTZXFB-UHFFFAOYSA-N 430.935 7.257 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)cc(C)c1 225098773 IOJPKHBPRDCUGP-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225134848 RSCOXUZDQHSMMS-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225280777 YPWDAMHKZCXJLT-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225312455 NPXCPGICORRMKL-ROUUACIJSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225338369 MLOOPWAVCQBJIG-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 225535626 VTDUWBOGALCBRF-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225585242 CVTFWRBIWAYQDI-VGOFRKELSA-N 449.422 5.566 0 40 IKAB S=C(NCCCSCc1ccccc1)Nc1ccc(CSc2ccccc2)cc1 225597566 KEUKQVSTHSWVKU-UHFFFAOYSA-N 438.687 6.589 0 40 IKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C(=O)OCC 225844739 RTIUZMSRBDFTMM-UHFFFAOYSA-N 449.632 6.238 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@@H]12 226807652 JPPPXYICMMZYFE-SOUVJXGZSA-N 436.341 5.257 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 245231873 LNTSHRPDUYJBSW-RAIGVLPGSA-N 433.565 5.944 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 247471934 FTGWMAWRYWOGKN-NXTWQOBISA-N 430.498 6.514 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccccc1 250250604 XEUFMLYRJPTBAP-YSGRDPCXSA-N 434.433 5.257 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)cc3Cl)o2)nc2ccc(Br)cc12 253536191 KSNAJSQVERBKFE-UHFFFAOYSA-N 436.092 6.332 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257242605 IDHBMENJWVAKSN-OAQYLSRUSA-N 435.430 5.176 0 40 IKAB CCn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 257324003 WMTSZFUIGKJVSD-NRFANRHFSA-N 442.529 5.596 0 40 IKAB COc1ccc(CCNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408578852 ZTUYKJAYTWGLSR-UHFFFAOYSA-N 441.980 5.444 0 40 IKAB COc1cccc2c(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c(-c3ccccc3)[nH]c12 408633685 LMSBAPZKRPMCRC-STZFKDTASA-N 442.496 6.203 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408637812 AFINUDQVEXNFFG-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(F)cc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408695276 PFEGCNRLOIAADJ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408699059 UJLOIBYBJRYBGC-UHFFFAOYSA-N 426.426 5.618 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 408699881 WRXZZMCUJSWHKW-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 408737832 YDROPTQIKWWQEH-ULJHMMPZSA-N 425.528 6.216 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 408818582 XHSCPYMUNALICH-HETFKXARSA-N 433.641 7.038 0 40 IKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3F)c(Br)c2)C1=O 409107789 QPDBRBWIOBGZRF-LICLKQGHSA-N 436.302 5.223 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409173584 MBODTVREFQTRGM-KHJCJPNESA-N 438.571 6.552 0 40 IKAB Cc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c(C)c1 890216 ZPDJPBLFXVKOHL-FQEVSTJZSA-N 443.016 5.632 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(C[C@H]1CCCO1)c1nc(-c2ccc(F)cc2)cs1 932847 KJVMPYXIYMIMTO-LJQANCHMSA-N 446.931 5.194 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(-c2nc3ccccn3c2NC2CCCCC2)cc1 1342617 QWBXWEVCISKJTJ-UHFFFAOYSA-N 425.536 6.390 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(N5C(=O)CCC5=O)cc4)cc3)sc2c1 1518522 QTLWVCXFWLRCNP-UHFFFAOYSA-N 441.512 5.177 0 40 IKAB Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCCC2)c(C)c1 1720314 WMVITKWUIQLBGX-IZLXSDGUSA-N 427.588 6.737 0 40 IKAB Cc1ccc(C(C)C)cc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1810238 LVEQRKUSZOFOJZ-UHFFFAOYSA-N 446.978 6.618 0 40 IKAB O=C1C(Nc2cccc(O)c2)=C(Sc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 1810748 OIDUCOCFUZPIJM-UHFFFAOYSA-N 436.920 5.030 0 40 IKAB Cc1cc(C)cc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1834455 BLTHUQUPFNIYJO-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@H](c2ccccc2)C2CCCC2)c(C(C)C)c1 2376444 OXJKBPPLKHKAIP-AREMUKBSSA-N 441.681 7.267 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2751624 GWLMEGNZVAMQAV-QGZVFWFLSA-N 449.381 6.960 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012875 LCFBKBPNDGPVOP-ZFWWWQNUSA-N 444.335 5.408 0 40 IKAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)Nc3ccc(Cl)c(Cl)c3)cc12 3177424 PTPBKCMQMSZGGF-UHFFFAOYSA-N 435.307 6.064 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(c24)N[C@H](c2ccccc2)NC5=O)CCCC3)cc1 8386913 YJKDTGSDHMIVRO-DEOSSOPVSA-N 441.556 5.705 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4cccs4)c12)-c1ccccc1C3=O 8411821 AHKLNVOBROACRG-UHFFFAOYSA-N 438.533 6.049 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccs2)cc1 8590755 HHXYDRXUGUMNEW-QHCPKHFHSA-N 431.517 5.295 0 40 IKAB aggregator CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2ccc(F)cc2s1 8683831 FHMZXWCLDIAJDK-UHFFFAOYSA-N 447.988 5.902 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cc2c(-c3cccs3)nc(-c3ccc(F)cc3)cc2s1 8742325 PHJQCKZHZWODCC-UHFFFAOYSA-N 448.519 7.222 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(Cl)c3)c2c1 8768818 OLJQJCNDFMPJRD-UHFFFAOYSA-N 445.950 5.523 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 8837654 FXSYKZIRKOHJLA-FXAWDEMLSA-N 429.701 5.938 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)s2)cs1 8862305 ASZXZDVTVFVXTO-UHFFFAOYSA-N 442.997 5.317 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 8922513 GGLNYSPAGMWLQF-SSEXGKCCSA-N 447.534 5.669 0 40 IKAB COc1cccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1OC 9122227 CWZAPYNKHJULQN-DTKKNGCVSA-N 426.516 5.403 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)Cc4ccccc4)cc3)nc2c1 9142295 AKFYXMQOOWYIDP-UHFFFAOYSA-N 443.572 5.352 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2)cc1OC 9360875 XEEPKCOKJJDTAC-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1nc2ccccc2s1 9434183 WTFMNCRARVEZMT-UHFFFAOYSA-N 442.132 5.082 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccnn3C3CCCC3)[C@H]2c2cccs2)cc1 9466170 IGNLGPHCFCDLHA-RDPSFJRHSA-N 448.592 5.491 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccc(CSc3nc4ccc(N)cc4s3)cc2)cc1 9601611 YOFGRRCHTNTYQK-UHFFFAOYSA-N 433.558 5.626 0 40 IKAB Cc1sc2nc(/C(Cl)=C/c3ccc4c(c3)OCCO4)[nH]c(=O)c2c1-c1ccccc1 9630465 CQSYRAHEZNJIJC-WJDWOHSUSA-N 436.920 5.468 0 40 IKAB CCCCN(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3ccc(C(C)C)cc3s2)cc1 9832506 JLWNXNHVXVBIEA-UHFFFAOYSA-N 445.610 5.093 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1C 10059201 XVRXNTRPRUJKJN-MHZLTWQESA-N 447.962 5.315 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1)c1ccc(Cl)cc1 10080374 FZXOIGYRBRGNLW-UGKGYDQZSA-N 430.932 5.014 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2C)cc1 10328266 FIAWZIXVGUSPBV-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3ccc(F)cc3)cc2)on1 12159091 UAWQDODCKBYYIC-UHFFFAOYSA-N 444.510 5.228 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 12192257 WUEJOYYEXYZXNN-XRKRLSELSA-N 440.587 7.196 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 12194295 DRNMZJKMURLSBL-IXCJQBJRSA-N 426.560 6.806 0 40 IKAB COc1ccc(CCNC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 12249715 DYXYAJFTNYSMHQ-UHFFFAOYSA-N 437.952 5.180 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)c2ccoc2C)c1 12372526 MAXLXFSSOLYCRP-YZIHRLCOSA-N 447.531 6.003 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2NC(=O)c2ccccc2Cl)cc1 12406668 BJFQSJINOPPKIF-UHFFFAOYSA-N 444.984 5.733 0 40 IKAB COc1ccc(CN(Cn2nc(-c3ccccc3Br)[nH]c2=S)C2CC2)cc1 12910559 DBHJHROVDSDKBB-UHFFFAOYSA-N 445.386 5.001 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)cc1 13096472 ZZALDPICEUNQCL-SANMLTNESA-N 430.548 6.043 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)Nc2c(C)cccc2C)nnc1-c1cccnc1 13513268 RLRUXRKNOSTQJV-LJQANCHMSA-N 443.576 5.374 0 40 IKAB CC12C[C@@H]3C[C@H](C1)CC(C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 13756269 WALOZKVZBRZLRW-RJAVSUSUSA-N 443.631 5.768 0 40 IKAB FC(F)c1cc(-c2ccccc2)nc2c(-c3nnc(C45CC6CC(CC(C6)C4)C5)o3)cnn12 13959774 FSWNLLAVPWUGGD-UHFFFAOYSA-N 447.489 5.852 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)cc1 14272524 YPRHDECWQQDEGZ-UHFFFAOYSA-N 441.314 6.625 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Sc3ccccn3)c(Cl)c2)c(OC)c1OC 15084145 SQOKNYZYGDJDSY-UHFFFAOYSA-N 430.913 5.164 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1-c1ccccc1 15643814 UKSANGUTOYCQCT-UHFFFAOYSA-N 434.561 5.089 0 40 IKAB Clc1ccc2oc(-c3cnc(Nc4ccccc4I)nc3)nc2c1 16450493 LQUGDVHEZRQTPP-UHFFFAOYSA-N 448.651 5.286 0 40 IKAB O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)Nc1cccc(Cl)c1 16525659 MNPVFBVVHDGTFU-UHFFFAOYSA-N 428.922 5.301 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccco1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16699215 IHAZQUNAYWHCBB-SANMLTNESA-N 438.527 5.191 0 40 IKAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)c1 16742085 VUPBFAVRJCVLST-DEOSSOPVSA-N 440.499 5.425 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccccc4C)nc23)cc1 16846051 LVDPUAJTABNORL-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB O=C(COc1ccc(N2CCCC2=O)cc1)Nc1ccccc1-c1nc2ccccc2s1 16963136 SAMXBXVBMPCZJZ-UHFFFAOYSA-N 443.528 5.108 0 40 IKAB O=C(Nc1nnc(-c2ccccc2SCc2ccccc2)s1)Nc1ccccc1F 17045743 ZCCJIOWLKYKOBU-UHFFFAOYSA-N 436.537 6.281 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1C(F)(F)F 17094708 QRTMKLMLKHGGDP-SOFGYWHQSA-N 426.221 6.924 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1 17098547 AZDCHDUPYSUXBC-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3cccc(C4SCCCS4)c3)c2c1C 18112308 DBXPTVZTYPQMKX-UHFFFAOYSA-N 447.676 5.908 0 40 IKAB Cc1cc(C)c(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)c(C)c1 20063323 PAXNMBMKDNQFGD-UHFFFAOYSA-N 440.952 5.080 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20969943 FDIHJOXYGLMISI-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB CN1CCN([C@H](c2ccc(Cl)cc2)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 21486911 WOKKXZWWFPXJLW-HSZRJFAPSA-N 429.048 5.977 0 40 IKAB Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3ccccc3C)OC2=O)cc1 21596679 VOXGTBIYDQEETL-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 26505119 MTOAIKBMTWPSSC-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB O=C(Nc1nccs1)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 32095237 TZJCAPTUMKRFOL-NRFANRHFSA-N 431.561 5.224 0 40 IKAB CCOc1cc(/C=C2\SC(=S)N=C2O)ccc1OC[C@H](C)COc1ccccc1 32109509 HQRRYVRPFWBUDR-GEYIUBJWSA-N 429.563 5.508 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(-c2nc3sc4ccccc4c3c(=O)[nH]2)cc1 32125281 FHZNBOWHLVRCDX-UHFFFAOYSA-N 441.512 5.131 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)cc2)c1 33644540 PKIFXHNATLBIBA-UHFFFAOYSA-N 432.911 5.891 0 40 IKAB CC(C)Oc1ccc(C(=O)N2CCC(Cn3c(C(F)(F)F)nc4ccccc43)CC2)cc1 38534132 LTFCAALRPRILGA-UHFFFAOYSA-N 445.485 5.395 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 40135083 MJLJGELZJPPCQI-UHFFFAOYSA-N 448.954 5.363 0 40 IKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccccc1)OCN(C[C@@H]1CCCN2CCCC[C@@H]12)C3 43747006 VJJJBNQJHYLWDK-URXFXBBRSA-N 444.575 5.185 0 40 IKAB biogenic Cc1cccc(NC(=O)N[C@@H](C)[C@@H](c2cccs2)N2CCN(c3ccccc3)CC2)c1 57015949 KEBYHGNSWSGQQM-RDPSFJRHSA-N 434.609 5.130 0 40 IKAB Cc1cc(=O)oc2cc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)ccc12 57755980 KRCMGWPKHIQTGY-UHFFFAOYSA-N 444.434 5.425 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)c1 59179530 PQUAHZZUDGHXPP-UHFFFAOYSA-N 445.972 5.773 0 40 IKAB Cc1cc(Nc2c(C(=O)N3CCCC3)cnc3ccc(Cl)cc23)ccc1Br 64472005 XINABOORNSOBHU-UHFFFAOYSA-N 444.760 5.939 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccc(Cl)cc1 67259574 DIHSIQROHRNREE-UHFFFAOYSA-N 436.920 5.119 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)CCc2ccccc2)n1 72390734 OUWBZSVOFYFWGT-JOCHJYFZSA-N 432.568 5.387 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSCc2ccco2)CC1 90608374 OYHLHAFREAKMEG-UHFFFAOYSA-N 430.957 5.682 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)Nc2ccccc2)cc1 97105091 AVWJONZZGZTIHK-XMMPIXPASA-N 430.577 5.309 0 40 IKAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1cc(Br)cc(C(F)(F)F)c1 98073019 ZQCZSCSRXSMBRR-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc2nc(-c3ccc(C(C)C)cc3)oc2c1 98086916 ZSXGQWJPIPSRRK-UHFFFAOYSA-N 429.545 6.053 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102486238 AZJDBVZMSCDYJU-XHCCPWGMSA-N 426.516 6.333 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)c(OC)c4)C3=C(O)C2)cc1 102728697 IYGHJVDWDNIWHR-MWTRTKDXSA-N 432.476 5.314 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(c3ccc(C)c(C)c3)S(C)(=O)=O)cc2)cc1 113938300 RSBCHQFJBSNKFN-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB C/C(=C\CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 118915968 KGICHBLSYNZKLD-FHALZDINSA-N 446.719 8.446 0 40 IKAB Cc1cc(OCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc(C)c1Br 218831810 SZUJETLNVUTOJC-UHFFFAOYSA-N 438.365 5.674 0 40 IKAB COc1ccc(-c2cc(C(=O)NCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 222629691 YPXDUYDMYZRBNP-UHFFFAOYSA-N 437.326 6.147 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 223181974 HVRCQVZFINOMQM-LJQANCHMSA-N 448.588 5.084 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223343237 FAUHMELQYKGMKN-QFIPXVFZSA-N 429.004 5.303 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C 223549805 ARHYMFFZYJUQBK-RPBOFIJWSA-N 439.588 5.057 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 224310531 FVYLALOVYRUSIB-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224441653 VRNNMIKJZZVQAD-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224621654 ZKWPBUUXJZIRTD-DEOSSOPVSA-N 440.653 5.198 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225494185 XVMUBYMEDCWJQG-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1OC(C)C 225768111 WXZOALYWTXPNHX-UHFFFAOYSA-N 439.552 5.500 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 256379266 ACGNVBRAISEVDK-SVNUZOACSA-N 426.685 7.880 0 40 IKAB CCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1 257229391 FXXOCJNVHHAVAP-LJQANCHMSA-N 442.943 5.057 0 40 IKAB Cc1ccc(COc2ccc(Cl)cc2[C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408557218 NSOPWLYTGSZUIZ-HSZRJFAPSA-N 444.383 6.659 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(Cl)cccc3Cl)ccc2C)cc1 408579537 HLTDDBNHBMZUTL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(NC(=O)c2cc(Br)ccc2OCc2ccccc2)cc1Cl 408589208 ZAAIGFMKOYYZOQ-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)cc1Br 408648473 YGPNKLFSSOFZGC-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 409014354 OYQJOTFLADXYCI-NDENLUEZSA-N 443.355 6.329 0 40 IKAB O=C1/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c2ccccc2N1c1ccccc1 409206083 HLOGWPZYRFYESN-HMMYKYKNSA-N 432.306 7.472 0 40 IKAB CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409250799 YFFNSSCUWMBQMM-LDADJPATSA-N 428.941 5.313 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)cc1 409412021 PYKUGNYGNMPTBK-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576409 XMKOHKIVNZLCIL-UHFFFAOYSA-N 435.524 5.003 0 40 IKAB Fc1ccc(CN2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cc1F 2037845932 HZYVZXMTXJXVTN-QGZVFWFLSA-N 438.909 5.708 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)c4oc5ccccc5c4C)ccc3Cl)nc2c1 986780 BYWREFXPDHPROC-UHFFFAOYSA-N 430.891 7.018 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1 1327394 RUVOUPIJKXKWIM-UHFFFAOYSA-N 430.939 6.295 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCc3ccccc32)CCCCC1 1344887 JAVYEJZUJQTIOT-UHFFFAOYSA-N 431.458 5.119 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nnc(COc2ccc(Cl)cc2)o1 1385330 XTJMLYSNXUTNFV-UHFFFAOYSA-N 436.682 6.239 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 1392295 BOYZCZMQNMPOHO-UHFFFAOYSA-N 438.332 5.382 0 40 IKAB O=C1N(N2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)[C@H](c2ccccc2)C12CCCCC2 1445873 WRNWFFYJWXGPTL-DNQXCXABSA-N 428.576 5.969 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 1776600 OZPWIYLBOWATGZ-NDEPHWFRSA-N 449.550 6.418 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)/C=C/c3ccccc3)c3c(C)oc(C)c3c(=O)c2)cc1 2100681 ZOMYUAOEWWRQEY-XNTDXEJSSA-N 440.495 6.094 0 40 IKAB biogenic Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCC1CCCCC1 2198237 JYVIYZIUPYIFJL-UHFFFAOYSA-N 431.692 7.765 0 40 IKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Br)cc3)cc2O)n1 2241095 HDXFCSVJARYPAQ-UHFFFAOYSA-N 448.320 5.440 0 40 IKAB biogenic Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1ccc(Cl)c(Cl)c1 2246988 YZYAJPMALXOVAO-UHFFFAOYSA-N 440.334 5.135 0 40 IKAB O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc(Cl)c1 2259324 MCWKZDPQLWHJTE-UHFFFAOYSA-N 438.314 5.399 0 40 IKAB CCCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 2344074 WPHBSPNZTIJTQJ-UHFFFAOYSA-N 426.560 6.711 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc2ccccc2c1 2632767 GWUOFTKSTYWDQV-UHFFFAOYSA-N 433.536 6.334 0 40 IKAB Clc1ccc(-c2csc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 2700418 IJBCUHSSXISIPF-UHFFFAOYSA-N 447.810 6.940 0 40 IKAB Fc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)c(F)c1 2796696 AISALWYITZCOLW-UHFFFAOYSA-N 438.459 5.335 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1ccc(Cl)cc1 3140313 WEMBNIQMJCSRQM-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl 3284279 UMENQGCKFBRYRO-UHFFFAOYSA-N 447.840 6.130 0 40 IKAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1c(F)cccc1F 3298296 MNYSERYWPMJXLG-UHFFFAOYSA-N 430.457 5.099 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2cccc(C(F)(F)F)c2)cc1 8427425 OBNXIOQPIVMJTI-QFIPXVFZSA-N 430.857 6.723 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 8453793 VKPWWTWMAVNDQQ-IOYSRHCYSA-N 443.628 6.317 0 40 IKAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1C 8852538 PDZVEYVXFUZSRZ-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(CN2CCCC2=O)cc1 8862534 ZTYXNFQWUPKZHG-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8874900 YTSAAUWGZRTHMJ-NSPYISDASA-N 432.467 6.006 0 40 IKAB Cc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c(C)c1 9250371 ZVUKBOYQASENEI-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 9308116 RIFKWEQWJDELRC-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 9518322 INWZXDORTAUAPB-UHFFFAOYSA-N 443.261 6.383 0 40 IKAB CCC(=O)N(c1nnc(SCc2csc(-c3ccc(C(C)C)cc3)n2)s1)C1CC1 9587786 XRYZQOFRUXGEME-UHFFFAOYSA-N 444.651 5.983 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2 9671767 SIPYZJMUBNRZSE-UHFFFAOYSA-N 441.487 5.110 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 9672167 LLJDZVNITNIONB-UHFFFAOYSA-N 439.519 5.113 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)c2)cs1 9814188 VUVLUXGIESGZJB-UHFFFAOYSA-N 437.590 5.085 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3cccc(C)c3)nc2c1 9892124 DJWCHMSRPQOLHU-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCOC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 11866616 CCVSZEVPEMJNRL-SANMLTNESA-N 442.511 5.684 0 40 IKAB O=C(O)c1cc(-c2ccc(/C=C/c3ccccc3)cc2)nc2ccc(Br)cc12 12041979 GWYKZVIXUVLNDU-VOTSOKGWSA-N 430.301 6.533 0 40 IKAB O=C(CNc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)Nc1ccc(Cl)c(Cl)c1 12606926 CTMKVIGDCHJQNU-UHFFFAOYSA-N 446.256 5.411 0 40 IKAB Brc1cccc(-c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)c1 12675754 NTKKQQLKSHBTIB-UHFFFAOYSA-N 433.400 5.669 0 40 IKAB Cc1cc(NC(=O)[C@H](SCc2nc(-c3ccccc3Cl)no2)c2ccccc2)no1 12906665 DBKVCMRBAPSLGJ-LJQANCHMSA-N 440.912 5.300 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)cn2c(=O)c3ccccc3sc12 12948259 KIEQVBMTNIWDOO-UHFFFAOYSA-N 428.307 5.120 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)Cn1nc(-c2ccco2)n(-c2ccccc2)c1=S 13073519 MUETZKNZKLLQTA-UHFFFAOYSA-N 432.593 6.050 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c1 13127720 BBMONSJWZMLHRB-JOCHJYFZSA-N 438.549 5.025 0 40 IKAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 13501121 RUVLJMXLYQKUAT-QHCPKHFHSA-N 448.615 5.224 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)cc4)c3)nc2c1 13839319 HWXZQDFHVOBCBP-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB COc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 14270082 TWTKCHCMSLQLLY-SOFGYWHQSA-N 447.343 5.788 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)NC2CCCCC2)cc1OC 14608049 LWHBPEJRIUSWCR-QHCPKHFHSA-N 434.540 5.256 0 40 IKAB CCN(CC)c1nc(Nc2cc(C)ccc2C)nc(Nc2cc(Cl)ccc2Cl)n1 14920558 SUWVGVOEDVDYQV-UHFFFAOYSA-N 431.371 6.129 0 40 IKAB COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 15412319 VHRMWQGKGXFYDD-DEOSSOPVSA-N 434.923 5.087 0 40 IKAB CC(C)(C)OC(=O)CC[C@H](NC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 15722352 NYRSZLHHHLKYST-DEOSSOPVSA-N 445.559 5.143 0 40 IKAB Cc1cc(SCC(=O)OCC(=O)N(Cc2ccccc2)C(C)(C)C)nc2ccccc12 15912859 UYOBLYMINLSMFA-UHFFFAOYSA-N 436.577 5.006 0 40 IKAB COc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 16322891 OINBUUHOYPVYFY-UHFFFAOYSA-N 447.200 6.232 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1cccnc1Cl 17094625 XDLCJWNQXYEZJS-UHFFFAOYSA-N 425.875 6.463 0 40 IKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 17095175 HGUHTQVQDSSUPY-UHFFFAOYSA-N 426.903 7.116 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373084 FAPXDDXQNXURCY-YADHBBJMSA-N 439.563 5.345 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525530 GOFMNFIVNGXTHT-QFIPXVFZSA-N 432.568 5.306 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2 19581650 SNFHUXMLVXTTSW-RPBOFIJWSA-N 442.559 5.014 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 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Clc1ccc2c(c1)[C@H](c1ccccc1)Nc1ccc(Cl)cc1[C@@H](c1ccccc1)N2 23190953 VMAFQGYDGSQDGZ-WMPKNSHKSA-N 431.366 7.710 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 23805872 JBWFDLZWWLYFAJ-UHFFFAOYSA-N 428.620 5.527 0 40 IKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)N1CCC(c2c[nH]c3ccccc23)CC1 24963397 WUSOFAIZQHXTJF-UHFFFAOYSA-N 433.939 5.815 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N(CCCN1CCOCC1)Cc1ccccc1Cl 26416765 WTBSONYGSXRSNX-UHFFFAOYSA-N 448.994 5.372 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 27525635 CWILJDSQKXPWEW-UHFFFAOYSA-N 425.557 6.106 0 40 IKAB Clc1cc(Cl)cc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)c1 27586067 UTERVPXKNKPXNT-UHFFFAOYSA-N 431.326 7.114 0 40 IKAB O=C(COc1ccccc1)NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27749117 SBSRHCVLDQZYAZ-OAQYLSRUSA-N 449.348 5.258 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 30850047 ULXBCVUWPGARDN-SANMLTNESA-N 449.616 6.384 0 40 IKAB Cc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)o1 32984674 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O=C(c1cccnc1-c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257274569 NLPOVONPXDTMHO-HXUWFJFHSA-N 448.523 5.290 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 260788358 ZDEOIUGNZYMWGO-TVNIXMEMSA-N 430.360 6.238 0 40 IKAB CC(C)c1ccc(N(CC(=O)Nc2ccccc2Oc2ccccc2)S(C)(=O)=O)cc1 408608508 NQEZLNJFQQOJQH-UHFFFAOYSA-N 438.549 5.007 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1C 408700218 ZQUGTTXUASWRPV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409027682 GDORSDVTMPSWRE-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2Cl)cc1 409106856 OVTSLSYJKVFEIY-UHFFFAOYSA-N 435.980 5.991 0 40 IKAB CCOc1cc(CNc2ccccc2CC)ccc1OS(=O)(=O)c1ccc(C)cc1 409121711 ZPMNPCAVWYTAPA-UHFFFAOYSA-N 425.550 5.336 0 40 IKAB Cc1ccccc1OCCCn1cc(/C=C2\SC(=O)N(CC(C)C)C2=O)c2ccccc21 409124288 BBCHSJZPXMKLQL-IWIPYMOSSA-N 448.588 6.111 0 40 IKAB O=C(Nc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)c1)c1ccccc1 409177556 GYXXCWHNKMNATH-UHFFFAOYSA-N 428.271 5.285 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)cc1 409180939 VELSMEQTJQPJDP-MHWRWJLKSA-N 435.332 5.231 0 40 IKAB Cc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(Cl)cc1 409204152 CIGULOLCJUMWTK-RFBIWTDZSA-N 432.976 5.975 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c(C)c1 409384080 ZQGDNMDRQOWIBZ-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB CC(C)c1ccc(CN2C[C@H]3c4ccccc4[C@@H](NC(=O)CC4CCOCC4)[C@H]3C2)cc1 585109522 ARDINQZFTYLKQG-UNCTUWKVSA-N 432.608 5.013 0 40 IKAB CCC(=O)N[C@@H]1C[C@H](c2cccc(OC)c2OCc2cccc(F)c2)O[C@@H]2CCCC[C@@H]12 2037844538 WOINEXMZPRGHPG-IEEQIXEPSA-N 441.543 5.328 0 40 IKAB CC1CCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)CC1 644181 NCFVLJBQXSXZIE-UHFFFAOYSA-N 425.743 5.771 0 40 IKAB COc1ccccc1OCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)o1 876160 OSUDSQPCCLORDB-UHFFFAOYSA-N 447.516 5.114 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc(OC)c(OC)c(OC)c4)c3)nc2c1 989612 IWFXHPZCCMNYCK-UHFFFAOYSA-N 432.476 5.335 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(C(C)C)cc4)c3n2)cc1 1003162 IWHAEEYRWCDELB-UHFFFAOYSA-N 436.462 5.718 0 40 IKAB COc1ccc(NCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 1238161 YNJKNCYZWNCHBT-UHFFFAOYSA-N 436.515 5.310 0 40 IKAB O=C(CSc1nc(=O)c2c(-c3ccc4c(c3)CCCC4)csc2[nH]1)Nc1ccccc1 1291008 RTXPVKPRMXVMDR-UHFFFAOYSA-N 447.585 5.261 0 40 IKAB Cc1cc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371142 ORXWNVVAWGDTBZ-LJQANCHMSA-N 439.943 5.011 0 40 IKAB COc1ccccc1CN(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 1371219 YIPPDXRWNQHHKF-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB CC(=O)Nc1ccc(Sc2ccccc2C(=O)NCc2cccc(C(F)(F)F)c2)cn1 1393879 MFGYUIAFOHHTBZ-UHFFFAOYSA-N 445.466 5.140 0 40 IKAB CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 1683591 FHGZYZNBVGWNAW-SANMLTNESA-N 441.015 6.499 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2)cc1NC(=O)Nc1ccccc1C(F)(F)F 1753307 ZXECOZRUTKMILT-UHFFFAOYSA-N 429.398 5.610 0 40 IKAB CCCCCCC(=O)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 1787085 RXHXVTAWKDUPAB-AWEZNQCLSA-N 431.585 5.611 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1CC 1916474 ZCVMUKSMWQCQEG-UHFFFAOYSA-N 427.497 5.311 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C(=O)Nc3ccc(CCCC)cc3)nc2)cc1 2085451 GHLVHIMHISLBSX-UHFFFAOYSA-N 429.564 6.271 0 40 IKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1cccc(Br)c1)CO3 2158341 AHLRUDIIODXQAE-UHFFFAOYSA-N 428.326 5.563 0 40 IKAB biogenic Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)sc2c1 2203851 BCGZQJMDWYKIGK-FQEVSTJZSA-N 428.469 5.362 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1C 2210245 CXJVLCSTLMKDOX-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1ccccc1NC(NC(=O)c1cccc(Cl)c1)(C(F)(F)F)C(F)(F)F 2271245 BAJHHTHRMNSRIK-UHFFFAOYSA-N 426.744 5.011 0 40 IKAB COc1cccc(-c2nc(Oc3ccc(Cl)c4ccccc34)c3ccccc3n2)c1O 2438554 RPYXEUVUMIZNAJ-UHFFFAOYSA-N 428.875 6.610 0 40 IKAB CCOc1ccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 2687468 CVTSLXQXHLCDTB-QPLCGJKRSA-N 449.528 5.214 0 40 IKAB CCCCOc1ccc(NC(=O)CSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 3100892 KTDKNYPRCNAJQG-UHFFFAOYSA-N 448.548 5.437 0 40 IKAB O=c1oc2c(OCc3ccccc3F)c(OCc3ccccc3F)ccc2c2c1CCCC2 3218327 REUPYUDXQGXDKD-UHFFFAOYSA-N 448.465 6.108 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1ncnc2ccccc12)c1ccccc1 3263580 FUDRTELYACPIQD-FQEVSTJZSA-N 440.355 6.409 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CN(C)Cc1ccccc1 3289423 UMERIUMPKVQDDU-UHFFFAOYSA-N 442.968 5.316 0 40 IKAB CCCN(CC1CC1)Cn1nc(-c2cc(-c3ccccn3)nc3ccccc23)oc1=S 3338173 RARYGNSWANEAEX-UHFFFAOYSA-N 431.565 5.562 0 40 IKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3C=C12 4085535 BJCHICZXAWGDFL-WXLUIRDFSA-N 426.000 5.743 0 40 IKAB biogenic CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 4385062 PFOYFRGRENSNPB-NRFANRHFSA-N 425.532 5.312 0 40 IKAB O=S1(=O)C(=C(c2ccccc2)c2ccccc2)CCC1=C(c1ccccc1)c1ccccc1 4984025 MKAURJICEMIPOG-UHFFFAOYSA-N 448.587 7.114 0 40 IKAB O=C(N/C(=C\c1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 5812773 RQMTUTZPMIGREJ-RGEXLXHISA-N 435.346 5.987 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 6282497 NPVLYIZXBSLCPZ-UHFFFAOYSA-N 441.984 5.332 0 40 IKAB COc1ccccc1[C@H](Nc1ccccn1)c1c(NC(=O)c2ccco2)sc(C)c1C 8385091 QJBGJXQXWFQXPM-QFIPXVFZSA-N 433.533 5.815 0 40 IKAB C1=C(c2ccc(-c3ccccc3)cc2)N2C(=NN=C(c3ccccc3)[C@H]2c2ccccc2)S1 8398241 GSPXACBGIFHMGG-MUUNZHRXSA-N 443.575 7.216 0 40 IKAB CCCc1ccc(OCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 8738651 KEIVSWMFUFBDLJ-UHFFFAOYSA-N 437.352 6.020 0 40 IKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756235 ZYYDXVNKFJZRAW-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 8828204 RWQWBERRPBQJBD-QFIPXVFZSA-N 439.559 5.737 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8903059 BYXOJURHNHXBPA-UHFFFAOYSA-N 443.572 6.307 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C(=C/c1ccccc1)c1ccc(Cl)cc1 9223915 AVTAFPLKWJYXAP-LTGZKZEYSA-N 447.922 5.962 0 40 IKAB O=C(C[C@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 9233534 GVXZNXJAOXVCSF-FQEVSTJZSA-N 449.175 7.182 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1 9446073 HTMMLYDLJSPQBP-UHFFFAOYSA-N 432.343 5.399 0 40 IKAB COc1ccc(C(=O)N[C@@H](c2ccccc2)c2nc3ccccc3n2CC(C)C)cc1OC 9488268 VOTGXYZAMFZHHK-VWLOTQADSA-N 443.547 5.229 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc(Nc2ccccc2F)c(Nc2ccccc2F)c1 9543526 RHLGXDRSLJSFSY-UHFFFAOYSA-N 441.437 6.253 0 40 IKAB CCc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1 9664093 IHMOAZMWWRDMMX-UHFFFAOYSA-N 444.915 5.377 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)NC1CCCCC1 9664231 JJJSLHVZGIBCDH-UHFFFAOYSA-N 441.000 5.188 0 40 IKAB O=C(c1cccs1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1 9829690 BSMZXLXPKQPFNB-UHFFFAOYSA-N 430.352 5.362 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc(F)ccc2F)n1C(C)C 10227062 YUOQNURMCUZANP-UHFFFAOYSA-N 446.523 5.064 0 40 IKAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4ccc(Cl)cc4)CC3)C1)c1cccn1-2 12086183 JVTBQWAGANESSB-AREMUKBSSA-N 449.982 5.215 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)N1CCCc2ccccc21 12311514 UESNCFSGSZGZBD-UHFFFAOYSA-N 427.573 5.351 0 40 IKAB COc1ccc2nc(NC(=O)NC34C[C@H]5C[C@@H](C3)CC(c3ccc(C)cc3)(C5)C4)sc2c1 12377773 KVENMYLNZBETLA-LJQDGHHOSA-N 447.604 6.025 0 40 IKAB OCCn1c(CN2CCCC[C@H]2c2nc3ccccc3s2)nc2ccc(Cl)cc21 12559634 CWHDDMBDIYCBQE-SFHVURJKSA-N 426.973 5.019 0 40 IKAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 12599386 JYKFBMVOAOFWHI-KKSFZXQISA-N 438.572 5.557 0 40 IKAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)CC1 12728321 CJKNQSNEZPWWSC-UHFFFAOYSA-N 445.357 5.075 0 40 IKAB Cc1cc(C(=O)CSc2nc(/C=C/c3ccccc3)nc3ccccc23)c(C)c(C)c1C 13030056 NPUQTAXSPSLZSE-CCEZHUSRSA-N 438.596 7.009 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)ccc2c1 13120611 UEVWAFWIDOLHOZ-SFHVURJKSA-N 440.547 5.576 0 40 IKAB O=C1O/C(=C\N2CCc3c([nH]c4ccccc34)[C@@H]2[C@@H]2OC(=O)c3ccccc32)c2ccccc21 13396078 GCABLUGXOGQONP-GJIIEBNPSA-N 448.478 5.148 0 40 IKAB COc1ccccc1N1CC(=O)N(c2ccc(Cl)cc2)[C@@H](/C(C)=C/c2ccccc2)C1=O 13591670 YFVRYFNPCLQFRN-LEJURUINSA-N 446.934 5.201 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 13618881 BQFSTGKNMBIHIQ-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 13661067 SBXXZWYDZDXGMP-ZNZIZOMTSA-N 434.495 5.199 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@@H](C)Oc1ccccc1 13850146 HCNKNKGYJXRSBR-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Cl)cc1Cl 14070115 AIBCNNAPROGTIR-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB CC(=O)Nc1ccc(S[C@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cc1 14201421 SVUWRIKJHKJBRP-LLVKDONJSA-N 427.576 5.525 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)CCC(=O)c3ccccc3)c2)c1C 14405435 CTJDRBUIBDGDNO-UHFFFAOYSA-N 446.551 5.154 0 40 IKAB COc1ccccc1C1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@@H](c2cccnc2)C1 14607628 WHOVEMUIHBOSJL-JOCHJYFZSA-N 428.923 6.029 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 15230967 FTGWMAWRYWOGKN-SNZXGGJASA-N 430.498 6.514 0 40 IKAB COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 16195461 OSGLAQAENNCVLK-UHFFFAOYSA-N 446.772 5.980 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(OC(C)C)c4)c3)nc2c1 16610884 JHQXSZHMEHCGAI-SFHVURJKSA-N 428.532 7.048 0 40 IKAB CCOc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1 16688625 MAFVEDBRQRIDBT-UHFFFAOYSA-N 432.383 5.778 0 40 IKAB CCc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1 16841253 WLMDDJSTIPSWNF-UHFFFAOYSA-N 436.899 5.112 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1nnc(COc2ccc(C3CCCCC3)cc2)s1 17058463 DXKVRHZNMUYHNY-UHFFFAOYSA-N 442.972 6.462 0 40 IKAB CCCCc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1 17099301 PEKGAOLPGYFZML-UHFFFAOYSA-N 434.927 5.434 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC[C@H]4C)cc3)o2)cc1Cl 17099340 ALRSFAWPONPRLK-OCKXMSAZSA-N 434.967 6.939 0 40 IKAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)C[C@@H](C)C3)c(O)n2n1 17144181 WUEJPIZHKVWRIN-USBNGQNGSA-N 425.385 5.179 0 40 IKAB O=C(c1ccccc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 19368937 SRGORVSCGTYBMZ-TWJOJJKGSA-N 432.514 5.095 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CCOCC2)c1C 19880265 KICZSTPUBXANLG-QFIPXVFZSA-N 440.996 5.692 0 40 IKAB Cc1ccc(CNC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20367305 VRFJOLCHYSXKPZ-OAQYLSRUSA-N 432.911 5.287 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl 20609868 CKLDBCPMLDDWHB-UHFFFAOYSA-N 439.327 6.194 0 40 IKAB CCCN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256975 PTTFOBQZPIWELX-UHFFFAOYSA-N 433.961 5.114 0 40 IKAB COc1ccc(-c2nc(NC(=O)Cc3csc(-c4cccc(F)c4)n3)sc2C)cc1 23120692 MUOZTOWNKUSOTG-UHFFFAOYSA-N 439.537 5.571 0 40 IKAB COc1cccc([C@H](CNc2ncnc3sccc23)c2c[nH]c3ccccc23)c1OC 23381122 IWBZSWBTCLSJKU-IBGZPJMESA-N 430.533 5.434 0 40 IKAB COc1cccc(CC[C@@]2(O)CCC[C@H]3[C@@H]2CCC[C@@]3(O)CCc2cccc(OC)c2)c1 25692040 IPWGEHIMZTUZSY-LAJGZZDBSA-N 438.608 5.332 0 40 IKAB O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1ccco1)Cc1cccs1 27794833 COZGOQPYJKLIQH-UHFFFAOYSA-N 444.306 5.053 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(NC(=O)COc3ccc(Cl)cc3)c2)no1 28247474 QJRBQEFOCDONNJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nc(-c4ccc(Br)o4)ns3)oc2c1 28405009 IRLKLWYFAIYKIV-UHFFFAOYSA-N 432.299 5.484 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3ccc(CCCC)cc3s2)c1 32118637 QBNBNYOGENSPNX-UHFFFAOYSA-N 441.622 5.945 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 33590985 IZGPGTMXNZWPRU-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 33653292 SIQPMXAHJOKQQY-UHFFFAOYSA-N 447.918 6.545 0 40 IKAB O=C(CSc1nnc(Cc2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1Cl 34862088 UCVYKLPMDGGRIY-UHFFFAOYSA-N 428.728 5.351 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCc1ccccc1 35168463 CBHKBANODGVDNL-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccccc2F)nn1 36634940 FEXWGPGAESMXPR-UHFFFAOYSA-N 436.537 5.445 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 57425462 FRAODHBCKPBHPK-UHFFFAOYSA-N 449.601 5.108 0 40 IKAB Cc1ccc(-n2c(SCc3c(F)c(F)c(F)c(F)c3F)nc3ccccc3c2=O)nc1 57935315 UMHCPBQXTJPSKY-UHFFFAOYSA-N 449.404 5.077 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3cccc(Cl)c3)nc3ccccc3c2=O)c1 67258966 OFXFSRCESVGJCJ-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)N(C)C2CCCCC2)nc1-c1ccccc1 72307383 OMFXVXZAGILXCP-FQEVSTJZSA-N 431.602 5.111 0 40 IKAB CCOC(=O)c1cnc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccccc3F)o2)c1 95453917 FIUWYLQMZFJAKQ-UHFFFAOYSA-N 445.450 5.280 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(Cc6ccccc6)CC5)(C4)C2)C3)cc1 101112739 WMCXGGQXWJTYAW-BVSWHAQMSA-N 428.620 5.177 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1Cc1ccc(Cl)cc1 106684845 BZBQUBDADCIUNP-ODLFYWEKSA-N 430.312 6.490 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223443365 OKXOBVHMPFGVKP-JWQCQUIFSA-N 440.572 5.054 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 223457236 GBUOEEQGWLECOW-JWQCQUIFSA-N 445.636 5.573 0 40 IKAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 223835908 XCMSSIJMCXHNLH-UHFFFAOYSA-N 439.577 5.050 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 223983838 GXZGVVKSYYVIMS-KDURUIRLSA-N 440.632 5.501 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224187808 QQTLVBMKURBKHN-OAQYLSRUSA-N 445.603 6.323 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224211206 YWCXOCITKIBJBT-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224297754 UFJPGSXFGXVERA-UIOOFZCWSA-N 444.648 6.409 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224408492 XXIDQGGIVOFPPH-DNQXCXABSA-N 444.535 5.197 0 40 IKAB COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 224526631 OJWXOVQLIPRZMW-UHFFFAOYSA-N 438.549 5.046 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224544852 UNDSNKSMKWDKCX-ZEQRLZLVSA-N 445.519 5.666 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224586131 JSHKDDCNJIGTAY-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COCc1ccccc1 224747983 RUHWNJTVUVUBCX-UHFFFAOYSA-N 430.331 6.361 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224884952 GCLHXAXITOXGPV-FGZHOGPDSA-N 438.984 5.534 0 40 IKAB CCOC(=O)c1ccc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)cc1Cl 224944426 FOCLNZBASRRXDQ-UHFFFAOYSA-N 436.744 5.039 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccc(Cl)cc3)cs2)cc1 225250428 LDYUIFYMEMEOHC-XDHOZWIPSA-N 443.981 5.736 0 40 IKAB CNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225518068 XGKRCWMRMHVTDA-MHZLTWQESA-N 442.603 5.129 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(Br)c(Cl)c3)CCCC2)cc1 225859781 NCSKYLYHUUAIAC-UHFFFAOYSA-N 439.806 5.867 0 40 IKAB COc1c(Cl)cc(-c2nc3cc(N(C)C(=O)C(F)(F)F)cc(C)c3o2)cc1Cl 226272113 ZNXKUINBRHHFNN-UHFFFAOYSA-N 433.213 5.644 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 247471942 FTGWMAWRYWOGKN-ZYLGRSFDSA-N 430.498 6.514 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc(F)cc2Cl)cc1 257238798 HMOZWTDYJJLIAM-UHFFFAOYSA-N 427.859 5.307 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)c2cc3cc(F)ccc3[nH]2)C1 257291959 QJKQVBURSJEWEB-HNNXBMFYSA-N 449.551 5.290 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1S(=O)(=O)Nc1ccccc1 408546402 SDAFOKLEICKUCD-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408623007 OMEPPHGHJJYXNL-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)cc(C)c1Br 408639399 FZMDGYKALAQVHO-KRWDZBQOSA-N 437.337 5.211 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)c1 408696933 GJJVIDKSQWEJNG-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408699342 SVEMLEDIZNWGJX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1 409111152 ANRKFCINFZAGCL-UHFFFAOYSA-N 448.514 5.275 0 40 IKAB Cc1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1C 409113396 HZYIEYJUXGOINB-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409146150 RRGMJDNDNWGIRQ-JAIQZWGSSA-N 428.916 5.928 0 40 IKAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3ccc4ccccc4c3)c2)o1 409176692 VCCGSZDPWJHAAJ-UHFFFAOYSA-N 433.847 5.361 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1O[C@@H](C)CC 409214100 RCLLVTSTQYFASS-JMMZKRSASA-N 425.550 5.542 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1cccc(Br)c1 409267452 VQUNFQZHUFZJCY-UHFFFAOYSA-N 440.318 5.954 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409267742 XKVNEUAHFSOOEL-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB O=C(/C=C\c1ccc(Cl)cc1)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 585145840 CJQKVTCNZNGYMR-JFWMEANYSA-N 432.907 6.362 0 40 IKAB CCN1CCCCCCN(C(=O)C2CCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643584917 WGECNDSTTRTIKZ-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB CC[C@@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 823203 TWBJPYZUBKVQNU-PKOBYXMFSA-N 439.364 5.595 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 875303 QMTSHVYYJQDANG-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 897133 SMGSYKAWHJRJJN-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C 898833 IETAVFIVVRCJLR-CLOONOSVSA-N 430.523 5.995 0 40 IKAB COc1ccc(C(=O)COc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 993065 JSAQIKYNPTXYPJ-UHFFFAOYSA-N 430.287 5.516 0 40 IKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 1011676 MKMCERYGAKDLLW-NDENLUEZSA-N 425.893 5.751 0 40 IKAB COC[C@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1447713 QFXZPOJNAGPDPA-HNNXBMFYSA-N 437.341 5.297 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@H](C(C)C)OC3 1821525 LTEQVPMEEPTHRJ-SFHVURJKSA-N 444.622 5.445 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c(C)c1 1864876 RYDHHWAINSAPMJ-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB CCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 1903595 GSVYVSJXHPDNPK-NDEPHWFRSA-N 444.644 6.465 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cc(C)ccc4C)cc3)cc2)c1 2069593 NGYBPLFZQCUAOY-UHFFFAOYSA-N 448.566 7.092 0 40 IKAB O=C(NCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2135236 HHXHMNGKJMXVLJ-UHFFFAOYSA-N 435.483 5.084 0 40 IKAB biogenic Cc1ccc(CNC(=O)c2c(N)n(-c3cc(C)ccc3C)c3nc4ccccc4nc23)cc1 2246974 ATUVANOMZHMAIK-UHFFFAOYSA-N 435.531 5.011 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1)c1cccnc1 2289504 URVVKFIRRPFLES-UHFFFAOYSA-N 444.288 6.058 0 40 IKAB CC(C)Cc1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2296377 CTEUEOYWYFVXRU-UHFFFAOYSA-N 446.620 5.944 0 40 IKAB COc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 2424304 LMKPQXNRLFUWMK-JOCHJYFZSA-N 449.510 5.317 0 40 IKAB FC(F)(c1ccc(Oc2ccccc2)cc1)C(F)(F)c1ccc(Oc2ccccc2)cc1 2540136 VCQCRHYEQAMPCL-UHFFFAOYSA-N 438.420 8.155 0 40 IKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc(F)cc5F)o4)nc3c12 2790929 ZHHKEJGYKODOIS-UHFFFAOYSA-N 426.448 5.327 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(F)c(F)c1F 3313945 MDTJWNBLBHFHEO-UHFFFAOYSA-N 436.389 5.115 0 40 IKAB CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 3664015 GSIXRZZZWGUGNE-UHFFFAOYSA-N 433.986 5.210 0 40 IKAB CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)cc1 4352787 OJYASGPSCYHQPJ-QHCPKHFHSA-N 431.540 5.165 0 40 IKAB Cc1ccc(NC(=O)C23CC4CC(C2)CC(C(=O)Nc2ccc(C)c(C)c2)(C4)C3)cc1C 5257766 GLAGMHIVIKPAOB-UHFFFAOYSA-N 430.592 6.084 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1 8614070 KJKOCZVJGFRQTJ-UHFFFAOYSA-N 442.269 5.205 0 40 IKAB aggregator COc1ccc(-n2c(-c3sc(Nc4ccccc4)nc3C)nc3ccccc3c2=O)cc1 8715540 VJFQCOHVJBZBLF-UHFFFAOYSA-N 440.528 5.570 0 40 IKAB CC(C)(C)C(=O)CSc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 8724744 FUQPDQRQGURAAQ-UHFFFAOYSA-N 434.359 5.056 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2C)cc1 9064773 JMVNXIAEEIWMOM-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N(C3=N[C@@H](C)CS3)c3ccc(Cl)cc3)o2)cc1 9125589 DUDGQNKMCPBVKU-AWEZNQCLSA-N 438.936 5.941 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc21)c1ccco1 9129484 IZDKOCBJZZAFEH-VWLOTQADSA-N 431.875 5.094 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(F)c2)cc1OC 9303617 WWRJNWKACOOMPF-GBXCKJPGSA-N 438.886 5.739 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)cc1 9309232 BZNCNQBCTAFSMU-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccccc1Br 9363932 DYPXNOTYHJNQJB-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 9412500 KGQUFSATJGFEHP-XMMPIXPASA-N 442.588 5.724 0 40 IKAB CCNc1nc(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nc2ccccc12 9516171 AAZJRLKWHHVDGK-UHFFFAOYSA-N 449.605 5.300 0 40 IKAB Cc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2ccncc2)cc1C 9633603 LLICQDORLFJJHA-UHFFFAOYSA-N 429.574 5.848 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(oc3ccccc32)c1=O 9751241 ZKXNMUUOSOGUBZ-UHFFFAOYSA-N 439.512 5.059 0 40 IKAB C[C@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 10636886 VCNUUHRONNEGTF-QGZVFWFLSA-N 435.474 5.544 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3c(Cl)cccc3Cl)o2)CC1 11903941 HYMJQXVJBDBHFB-UHFFFAOYSA-N 444.384 5.783 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(OC)c2)c(C(C)(C)CC)c1 12567085 KCZNBYMVEBPBGD-UHFFFAOYSA-N 425.613 6.868 0 40 IKAB COc1cccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)c1 12592877 YDVFAWQUZNWOJN-UHFFFAOYSA-N 440.619 5.690 0 40 IKAB S=C(NC1CCCCC1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 12654279 ZDZJWTJTYCQBBQ-UHFFFAOYSA-N 433.021 5.732 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3nc(CN4CCC[C@@H](C)C4)cs3)c12 12770950 RCEJYUMOKSTNNI-OAHLLOKOSA-N 447.564 5.139 0 40 IKAB Cc1nc(N2CCN(C(=O)Nc3ccccc3)CC2)c2c(-c3ccccc3)csc2n1 12771066 IOTTXLAHNWIFAK-UHFFFAOYSA-N 429.549 5.021 0 40 IKAB CC(=O)Nc1ccc(SC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 13013141 QPXMFFUDMUPCJM-JOCHJYFZSA-N 443.515 5.182 0 40 IKAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)Nc1ccc2ccccc2c1 13018007 WPWLQWWKEUBCPF-IHWFROFDSA-N 441.618 5.324 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCCN1C(=O)c1cccs1 13021158 CAQYMWZHFJLWDY-LJQANCHMSA-N 431.517 5.190 0 40 IKAB COc1ccc(-c2c(-c3csc(C)n3)c(C(F)(F)F)nn2-c2ccccc2)c(O)c1 13125432 YZHODMONNDXWPT-UHFFFAOYSA-N 431.439 5.704 0 40 IKAB C[C@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F 13134185 FEBHSTJKGGZDOB-MRXNPFEDSA-N 437.458 5.797 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl 13141024 FBZOOEQHBACOFF-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Fc1cccc(Cl)c1-c1nc(-c2ccc(Br)cc2)c(-c2ccccc2)[nH]1 13564304 UFFUBLZQCUYPBG-UHFFFAOYSA-N 427.704 6.966 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14070129 UHVYZNOUIHPCHJ-QFIPXVFZSA-N 434.471 5.061 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 14272702 NGQFXOJTMZWEKN-UHFFFAOYSA-N 442.563 5.741 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 15653695 DIBIXNYQPWZPKG-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2c(-c3ccc(OC)cc3)oc3ccc(OC)cc23)cc1 15880467 SGVCVUIFVAJIIP-UHFFFAOYSA-N 445.471 5.546 0 40 IKAB biogenic COc1cc(CNCc2ccccn2)cc(Br)c1OCc1ccc(Cl)cc1 16195465 SBKYGILBJXIFHP-UHFFFAOYSA-N 447.760 5.375 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1ccccc1)[C@@H]1CCCC=C1N1CCCCC1 16249389 KRZMLUCWKMLMMF-SHQCIBLASA-N 427.592 6.188 0 40 IKAB c1ccc([C@H]2N[C@@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccco2)cc1 16478170 DDHXGJCURYWKBG-YPKYBTACSA-N 439.558 7.416 0 40 IKAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1 16713444 PGNBSXKPMLCORP-UHFFFAOYSA-N 438.574 5.279 0 40 IKAB CCc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)oc4C)ccn3n2)cc1 16840079 IEUQKODJLKLPSN-UHFFFAOYSA-N 444.922 5.391 0 40 IKAB Cc1nc2ccccc2[s+]c1-c1cnc(NC#N)nc1C(=O)Nc1cccc(Cl)c1 16953534 WLQCWNYNTLMJHU-UHFFFAOYSA-O 433.904 5.142 0 40 IKAB COP(=O)(OC)O/C(=C(\OP(=O)(OC)OC)c1ccccc1)c1ccccc1 17379054 CBYHHTKCFGNNSO-ZCXUNETKSA-N 428.314 5.347 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C 20029938 UYUFAUWAGDJDFL-UHFFFAOYSA-N 427.366 5.232 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc(OC(C)C)c4)ccc3o2)cc1OC 20411958 DOKGCCHNTIVOJN-UHFFFAOYSA-N 432.476 5.552 0 40 IKAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cc(Cl)ccc4C)c3)nc2c1 21100224 QYDNGIULNPVNCW-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(Cl)cc1 22073883 UONZJRZLSXPGEV-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1c(OCc2ccc(Cl)cc2)ccc2ccccc12 22109753 FTKLLVQPUKKZGT-UHFFFAOYSA-N 438.984 6.022 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c1C 22917883 QOLCRCBTSQBICN-HSZRJFAPSA-N 437.584 5.093 0 40 IKAB O=C(NCc1ccccc1C(F)(F)F)c1ccn(COc2c(Cl)cccc2Cl)n1 27972713 TWKHFNMQHUPKHL-UHFFFAOYSA-N 444.240 5.175 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(Br)o2)c2ccccn2)ccc1Cl 28286840 BYTMOPLKBNNDPJ-CQSZACIVSA-N 449.732 5.400 0 40 IKAB CC(C)n1c(Sc2nccc(C(F)(F)F)n2)nnc1-c1ccc(Cl)cc1Cl 29435998 XMXMFLJMPOAGBI-UHFFFAOYSA-N 434.274 5.793 0 40 IKAB COc1cccc(CCC(=O)NC[C@H]2CC3c4ccccc4C2c2ccccc23)c1OC 32721816 INRANNKFHJQYOH-JNQTWWDWSA-N 427.544 5.050 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccc(Cl)cc2)c1 34806128 JJSKSKKSAKTWBB-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1c(Br)cc(C(=O)Nc2cccc(Cl)c2)cc1OCc1ccccc1 35419739 ARSSQOUAXXFISK-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB O=C1[C@H](C[C@H]2CCC[C@H](C3(Cl)CCCCC3)C2=O)CCC[C@@H]1C1(Cl)CCCCC1 35938001 LIEKHNOVNVFJAU-WOZUAGRISA-N 441.483 7.231 0 40 IKAB CC(=O)OCC[C@H]1SC(=O)N=C1N1N=C(c2ccccc2)C[C@H]1c1ccc(Cl)cc1 36633827 RCDGZWSJOUUUQB-VQTJNVASSA-N 441.940 5.078 0 40 IKAB Cc1c(C(=O)Nc2ccccc2Cl)nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn12 40385052 WDAKRDUTKKAABE-UHFFFAOYSA-N 440.334 5.782 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Br)cc2)cs1 40853694 UVRAZQATTQSDGQ-UHFFFAOYSA-N 439.787 5.957 0 40 IKAB CCCCOc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 57317077 CHOJNUGIBGRDGN-UHFFFAOYSA-N 428.326 5.818 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CCC(C)C)c(Cl)c1 57426021 UQTBTDZMJMKQPD-UHFFFAOYSA-N 436.002 5.197 0 40 IKAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1Cc1nc(-c3ccncc3)nc(Nc3cccc(F)c3)c12 57775145 NAFZHHPHLGCAKY-QUCCMNQESA-N 447.514 5.418 0 40 IKAB Cc1c(C(=O)N(C)[C@H](c2cccc(F)c2)c2ccccn2)cnn1-c1cccc(Cl)c1 58367652 GOOMIOSXTLENNJ-HSZRJFAPSA-N 434.902 5.230 0 40 IKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SCc1nnsc1Cl 69925695 IMRWLRKLEXIPJB-UHFFFAOYSA-N 444.413 5.669 0 40 IKAB O=C1c2ccccc2C(=O)N1CC[C@H](Oc1ccc(C(F)(F)F)cc1)c1ccccc1 77311973 HBVJWKXCFVAHNT-NRFANRHFSA-N 425.406 5.512 0 40 IKAB in-vitro COc1cccc(OC)c1C(=O)NCC12C[C@H]3C[C@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 100222510 KNYXGOBZQAFZSY-VHDHYXBKSA-N 433.592 5.589 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C(=O)OC)cc1 102650311 MFXZUKHOGRUQDA-DEOSSOPVSA-N 432.520 5.676 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 218815095 BFHMJQYJTKSMNR-UHFFFAOYSA-N 440.381 5.934 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222976335 HQMSDXUASKQMBJ-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSC2CCCCC2)cc1 223206825 UMHMWQRPXWIDTC-PGMHBOJBSA-N 428.623 5.010 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccc2c(c1)oc1ccccc12 224099227 NMGRXMCNCIFWMU-UHFFFAOYSA-N 448.544 5.321 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(C)cc1 224196602 ILJHSEJUWHCCNW-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 224269356 ISSKJUBIHMTDSL-RUZDIDTESA-N 436.596 5.020 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224315147 RKENHPSTBNWKDL-JWQCQUIFSA-N 443.547 6.275 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Cl)c1 224596456 FMEKUBDBIMPUGY-XZOQPEGZSA-N 446.963 5.408 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224596769 FBEJSNGHWQKRKW-DNQXCXABSA-N 426.545 5.063 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cccc(F)c1 224956304 GLTTZRNTDIMKEW-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225160838 ZFPMQVIZQVXBOE-SANMLTNESA-N 430.592 5.414 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225195995 AMUDELUMOFWGEI-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225274795 WYJHMWLZDKWQNP-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 225432133 MDMOCWYNBGZZHI-HNNXBMFYSA-N 426.973 5.343 0 40 IKAB COc1ccc(CCC(=O)NCc2ccnc(-c3ccco3)c2)cc1OCc1ccccc1 225655556 JKKFGLLXOLKERU-UHFFFAOYSA-N 442.515 5.178 0 40 IKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(c2ccccc2Cl)CCCC1 225859758 DMNNQOKHUKNGRG-UHFFFAOYSA-N 444.225 6.512 0 40 IKAB COC(=O)/C=C/c1ccc(OCc2cccc3ccccc23)c(I)c1 226334932 JKKSTXUGKZQTLZ-ZRDIBKRKSA-N 444.268 5.210 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 253562466 DHPABJAAWYDUQJ-PSELDJGJSA-N 427.931 5.973 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)/C=C\[C@@H](C)C(C)C)C1 263603207 NGEVNHYPVVOXPB-FBPFZGDCSA-N 438.696 7.902 0 40 IKAB CCc1nnc(S/C(=C\c2cn(Cc3ccccc3Cl)c3ccccc23)C(=O)O)o1 408632439 QALJSENPBPLJKE-ODLFYWEKSA-N 439.924 5.506 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(OCc3cccc(Cl)c3)cc2)C(=O)O)n[nH]1 408633478 YWMYMHYFDSZJSP-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB O=C(O)/C(=C/c1cccn1-c1ccc(Br)cc1)Sc1nc2ccccc2[nH]1 408635048 XGIFAGPGJQIADQ-PDGQHHTCSA-N 440.322 5.334 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(C)cc2)cc1 408698544 NYIOZBDIIJTXHO-UHFFFAOYSA-N 448.526 6.047 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704535 PEPCNNRGKAJQJO-QHCPKHFHSA-N 440.927 5.506 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 408785276 VSDOEVIWUMMOEN-UHFFFAOYSA-N 437.005 5.203 0 40 IKAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1)Oc1ccccc1 408999917 UEGMPFIGMRFPEP-DEOSSOPVSA-N 433.552 5.097 0 40 IKAB Cc1cc(Br)c(NC(=O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)cc1C 409005121 ZHOKVOGSYOCOJP-IBGZPJMESA-N 447.373 5.140 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)C1=O 409147161 VIFMKSPCCWDBGL-ULJHMMPZSA-N 448.588 6.255 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409152238 DPNJKZDJJFQOSH-ONDHQXCVSA-N 446.366 5.863 0 40 IKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCCOc1ccccc1C 409192724 ABCOZPDSGLQNBD-UHFFFAOYSA-N 433.573 5.195 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409344234 ICIZRKCNPRZKNX-CIAFOILYSA-N 433.533 5.275 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cc(Br)c(Br)s1 538456 ZLWLKVQCHZSSEL-UHFFFAOYSA-N 439.954 5.288 0 40 IKAB in-man CCn1cc([C@H](C)NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(C)n1 652578 VDJHGBCDQJGVRC-AWEZNQCLSA-N 432.351 5.588 0 40 IKAB C[C@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@H](C)O)c3)c2)c1 784055 VGFLXUCCRNYIKX-HOTGVXAUSA-N 434.496 5.081 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccc(F)cc2)c1C 871302 DUDQWNNYOMGYJZ-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB O=C(COC(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccc(Cl)c(Cl)c1 986230 YCDYADJHCFCMJA-UHFFFAOYSA-N 428.271 5.285 0 40 IKAB COc1ccc(-c2nc3c(Br)c(N)c(Br)cc3o2)cc1Cl 1240100 NCTRPDRTUOQXOA-UHFFFAOYSA-N 432.499 5.264 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1cccs1)C(=O)Cc1cccs1 1333696 QRXMCOKUCLIYPV-OAQYLSRUSA-N 444.647 5.243 0 40 IKAB CCc1ccc2nc(Cl)c(CN(Cc3ccc(OC)c(OC)c3)C(=O)C3CC3)cc2c1 1339448 VXHBPOMXRXDXMB-UHFFFAOYSA-N 438.955 5.407 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2cccc(Cl)c2)c2ccc(OC(=O)c3ccccc3)cc21 1761017 OPBGRCLVGYOABZ-UHFFFAOYSA-N 431.919 6.402 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 1773518 WPMSJTKHNIBCAH-HNNXBMFYSA-N 428.598 5.067 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCCC4)c1 1816577 UZACRALXEFSYNO-UHFFFAOYSA-N 443.572 5.994 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 1935450 FCSIMELATMZEOW-UHFFFAOYSA-N 443.952 5.880 0 40 IKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c(C)c1 2183020 IGPJIAWIQHTLNL-UHFFFAOYSA-N 432.614 5.904 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1-c1cccc(F)c1 2261517 RHHAKVRXIGTMLH-UHFFFAOYSA-N 431.858 5.201 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)C(C)C)c3ccccc3)C[C@@H]2C)c1 2290223 URKSXFTZAQULDY-FNZWTVRRSA-N 442.559 5.865 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 2296774 DGTGWXSSTQSPAY-HNNXBMFYSA-N 444.622 5.203 0 40 IKAB Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccs1 2351976 FRRWWIRYWAONIA-UHFFFAOYSA-N 430.942 5.198 0 40 IKAB CSc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 2423417 FZHMDEXBEJQKPS-ZEQRLZLVSA-N 442.519 5.352 0 40 IKAB Nc1c(-c2ccc(Cl)cc2)cnn1-c1ccc(Cc2ccc(Cl)cc2Cl)nn1 2508495 WKHVPWTUJNWJNU-UHFFFAOYSA-N 430.726 5.463 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)COC(=O)c2cc(-c3ccco3)nc3ccccc23)c1C 2630585 URQUOALWHPZNTF-KRWDZBQOSA-N 446.503 5.160 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1cccc3ccccc13)Nc1ccccc1-2 2742049 UAUAYLLYHBVPJG-HSZRJFAPSA-N 428.561 6.477 0 40 IKAB COc1ccc(C(=O)Nc2c(C)nn(Cc3ccc(Cl)c(Cl)c3)c2C)c(OC)c1 2761055 KQLYEXSCENOKKZ-UHFFFAOYSA-N 434.323 5.125 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cccc(C)c4)c(C)c3)cc2C)c1 3127783 KICAFNKPUXZZJJ-UHFFFAOYSA-N 448.566 7.092 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNCCc1ccccc1 3245614 KDGPYAIYZVCZEJ-UHFFFAOYSA-N 442.968 5.016 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 3309970 VAMVUYNJFAFPBU-UHFFFAOYSA-N 447.840 5.673 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nc2nc(C)cc(C)n2n1 3357964 QAZFNHWGDLVRBW-UHFFFAOYSA-N 431.993 5.030 0 40 IKAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1ccc(Cl)cc1 3371964 ZKAYOAMLJDGPRZ-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CC(=O)c1ccc(N(C(=O)CCCSc2ccccc2)c2nc3ccccc3s2)cc1 3421023 WOBGUVBCIFWSSC-UHFFFAOYSA-N 446.597 6.736 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4Cl)ncnc32)cc1 3658653 HLPXKYHUYAVPJL-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)oc2c1 3770745 INUBEEQJKZZIDK-UHFFFAOYSA-N 432.932 7.232 0 40 IKAB CCN1c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc2C(C)=CC1(C)C 6078567 NCIDSLGSYDQLJR-UHFFFAOYSA-N 443.634 8.091 0 40 IKAB Cc1nc(SCC(=O)N2CC[C@H](C)Sc3ccccc32)n(C2CCCCC2)c1C 7988977 MXLQLHXSWUYXFT-INIZCTEOSA-N 429.655 6.015 0 40 IKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/C=C/c2ccccc2)C1=O 8451341 LTZJRFUZALMWKK-HYZSBJHASA-N 429.339 5.420 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1C 8921978 FXESILDVOBIQGX-SANMLTNESA-N 433.935 5.273 0 40 IKAB CCOc1ccc(C(=O)N2c3cc(Cl)ccc3-c3c(ssc3=S)C2(C)C)cc1 9108646 JVNQBTRIGAUURR-UHFFFAOYSA-N 448.034 7.154 0 40 IKAB CCCn1c(SCC(=O)Nc2c(C)cccc2CC)nnc1-c1ccc(Cl)cc1 9139030 GIGOGAFRGHNNTG-UHFFFAOYSA-N 428.989 5.610 0 40 IKAB Cc1ccc(SCC(=O)OCc2csc(CC(=O)Nc3ccccc3C)n2)cc1C 9213695 JUDMOXPOIXWNEY-UHFFFAOYSA-N 440.590 5.085 0 40 IKAB CCCCn1nc(C)c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1Cl 9223949 LPAPCQTXEGMPRK-FQEVSTJZSA-N 435.959 5.235 0 40 IKAB O=C(Cc1cccc2ccccc12)N(Cc1cccnc1)c1nc2ccc(Cl)cc2s1 9241794 XTAIIGMCJPVHDF-UHFFFAOYSA-N 443.959 6.274 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9289103 MAMQYOGMNPVGRZ-CYBMUJFWSA-N 433.291 5.553 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CSc1nnc(Cc2cccs2)n1C1CC1 9412729 KDZXUVLXVJLRQV-UHFFFAOYSA-N 442.013 5.705 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)no1 9450780 FWAZAVDQQRWZQW-QFIPXVFZSA-N 448.906 5.924 0 40 IKAB Cc1cc(-c2csc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)n2)c(C)n1C 9459927 ZDKRDUOMXJLHDS-UHFFFAOYSA-N 434.569 5.221 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1cccc(Cl)c1 9498701 TVAYVVIEKDURSM-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB COc1ccc(-n2cnnc2S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 9509076 GTCIOJPIVBRGCP-KRWDZBQOSA-N 430.533 5.062 0 40 IKAB CCn1c(CSc2nc3ccccc3s2)nnc1SCCOc1ccc(F)cc1 9713957 HKHDUNDPSDLAOK-UHFFFAOYSA-N 446.598 5.510 0 40 IKAB O=C(CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)NCc1ccco1 9716869 YUWFEBUDXFYTBK-UHFFFAOYSA-N 438.534 5.076 0 40 IKAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 10801034 FRDWJMPEEOJIOA-UHFFFAOYSA-N 426.925 5.467 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Br)cc2)s1)C1=Cc2ccccc2OC=C1 11689860 CCKLZMIRZOZHIW-UHFFFAOYSA-N 439.334 5.425 0 40 IKAB Cc1c(CC(=O)NCc2ccccc2Cl)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 11867432 AMSOKVJJQAWUIM-UHFFFAOYSA-N 437.923 5.657 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3)cc2c1 12493809 POORQUGUYSVZPN-UHFFFAOYSA-N 432.926 6.487 0 40 IKAB O=C(COc1cccc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12623569 HKJSOSHVDAYWJD-JOCHJYFZSA-N 430.891 5.843 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1ccccc1SCc1csc(-c2ccccn2)n1 12750337 WOHVHTQYPSRNOT-UHFFFAOYSA-N 426.563 5.269 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cc2ccccc2)nnc1-c1ccccc1C 12778678 BDWRLHOQURZHPX-UHFFFAOYSA-N 442.588 5.595 0 40 IKAB CC[C@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2ccccc2nc1Cl 13029076 NWMNJUMUNJOGTE-HNNXBMFYSA-N 449.904 6.146 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)CCC4)[C@H]2c2cccs2)cc1 13040496 RWRUBUFZHDDDPX-RDGATRHJSA-N 430.573 5.668 0 40 IKAB Cc1cc(C(=O)COc2cccc(Cl)c2Cl)c(C)n1Cc1ccc2c(c1)OCO2 13073062 RTCSFFBWFFQLKZ-UHFFFAOYSA-N 432.303 5.450 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccc(OC)c(Br)c3)nc2-c2ccccc2)cc1 13534908 VPLYMVFCSVJNJX-UHFFFAOYSA-N 435.321 6.190 0 40 IKAB CC(C)[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 13550783 SGTBFGONDLTQHI-RUZDIDTESA-N 434.580 5.527 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)nnc2c1-c1ccc(Cl)cc1 13635639 WWWYAVVLHADSSS-UHFFFAOYSA-N 445.832 5.333 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 14498241 XVEGNANIILLXMY-GOSISDBHSA-N 435.574 5.175 0 40 IKAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1ccc(Cl)cc1 15911150 WJQROKJSGPCUFA-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccc(Cl)c1)C(C(=O)Nc1ccc(C)cc1C)=C(C)N2 17025787 ZIVBGRGBONFQJH-LJQANCHMSA-N 439.972 5.198 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3o2)ccc1C 17097580 OHFXGHBTISYJNS-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCn1cc(CN2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c(C)n1 19688348 KZKWDZNWFQYCGP-QHCPKHFHSA-N 428.502 5.553 0 40 IKAB O=C(CC1CCCCC1)N1CCO[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 19693223 RWTGCZWYTRGBKP-LJQANCHMSA-N 433.474 5.033 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)cc2Cl)cc1 20485362 LDLXPCMSJRRMDC-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCc1cccc(CC)c1-n1ccnc1SCC(=O)Nc1ccc(OC(F)(F)F)cc1 20605421 BWRMWNSMPOMTJF-UHFFFAOYSA-N 449.498 5.627 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 30943266 DHRQCJCDPXVPDT-LJQANCHMSA-N 446.978 6.055 0 40 IKAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)o1 35167580 MXLRCYVQCUKUJD-DEDYPNTBSA-N 435.457 5.095 0 40 IKAB COc1cc([C@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 35741611 OEDFWOKQVJHDQD-JMFZDZGDSA-N 444.527 6.149 0 40 IKAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44851437 QBPOVVQKXRWWHR-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(Cl)c1 45891021 GAIIITIWAPKSOB-UHFFFAOYSA-N 446.570 5.570 0 40 IKAB CC(=O)c1cccc(OCC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 48230056 VGORLOHPGYEIRA-UHFFFAOYSA-N 440.293 5.462 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)c(C)s2)c1Br 48300299 XCEACNZOOSPFKF-UHFFFAOYSA-N 427.270 5.621 0 40 IKAB CSc1ccc([C@H]2CC(=O)N(c3ccc(F)c(Cl)c3)c3c2sc(=O)n3C)cc1 49549189 GHEXQCARAAHFCA-CQSZACIVSA-N 434.945 5.162 0 40 IKAB Cc1ccc(C)c(-n2c(S[C@@H](C)c3nc(C)no3)nnc2-c2ccccc2Cl)c1 58604893 AAUYJGVVZXAMOH-AWEZNQCLSA-N 425.945 5.749 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4nccs4)sc3c2)c1 59417652 XCVOUUYLRXNGHF-UHFFFAOYSA-N 440.575 5.044 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccc2F)CO4)cc1 61997664 SNUYEMKOSKQOIG-UHFFFAOYSA-N 431.463 5.268 0 40 IKAB biogenic Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)n1 72372724 AFJMBFIJMYZFKG-NRFANRHFSA-N 438.572 5.679 0 40 IKAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)c3ccc4[nH]c(C(C)C)nc4c3)n2)n1 72375805 XVJQQVUPPHAJKE-FQEVSTJZSA-N 446.580 5.567 0 40 IKAB O=C(Nc1ccc2cc[nH]c2c1)[C@@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 72401740 KEBHEIXZETVTAJ-DEOSSOPVSA-N 427.548 5.601 0 40 IKAB Cc1nc2ccc(N(C)C(=O)c3cnn(-c4cccc(C(F)(F)F)c4)c3C3CC3)cc2[nH]1 79096852 AHNHDMAKRGPTTL-UHFFFAOYSA-N 439.441 5.230 0 40 IKAB C[C@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccc(Cl)cc1 79097989 MMZGOMGPHDZXSM-LLVKDONJSA-N 439.730 5.328 0 40 IKAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c1 83973751 MOOGGLNLGMTSCW-TZIWHRDSSA-N 443.469 5.485 0 40 IKAB Cc1ccc(-c2nc(C)c([C@@H](C)OC(=O)C3CCN(C(=O)c4ccccc4)CC3)s2)cc1 95405008 BPLPCSLVEGMDLZ-LJQANCHMSA-N 448.588 5.584 0 40 IKAB Brc1ccc2nc(-c3ccccc3Br)cc(-c3ccccc3)c2c1 96012524 DNPSZHSEQNXQQT-UHFFFAOYSA-N 439.150 7.094 0 40 IKAB O=C1S/C(=C\c2ccc(Br)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 98086512 DTGMVSXFGMJIJB-NVNXTCNLSA-N 443.149 5.992 0 40 IKAB COc1cc2nc(SC/C=C/c3ccccc3)n(Cc3cccs3)c(=N)c2cc1OC 100310026 RZILWURFYNYUJU-JJKNZDFBSA-N 449.601 5.448 0 40 IKAB Cc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@H](c4ccco4)C3=C(O)C2)cc1 101380645 VJPJZXLIGRIPPM-NFQMXDRXSA-N 438.527 6.548 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 102720329 OCXXIVZWHUWTGY-GYCJOSAFSA-N 446.503 5.617 0 40 IKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@H](c5ccccc5)[C@H](C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104091533 YHGCWRHZHLHVPR-YFIXPKPISA-N 443.028 6.888 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3[C@H]3C[C@]32C1 118936343 WNFPVPRFYINGIO-VSZHHLKNSA-N 428.701 7.649 0 40 IKAB CC[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C)c1ccc(C)cc1 216414456 JOXKJAVBMFQIAO-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222718974 LTLRCMKDWKPFKE-CYBMUJFWSA-N 425.381 5.394 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCC2 223225003 WTHQLBNZXMPUPQ-INIZCTEOSA-N 431.407 5.572 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(SC)cc2)c1 223650346 HNBQIDHMNYFVIY-UHFFFAOYSA-N 435.954 5.664 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 223828510 SAKACRPOZMEHOV-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl 223871869 DTAYLXGCGCCXSP-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1)c1ccc(C(C)(C)C)cc1 223922929 XRHYCDOPRVKLOE-SFHVURJKSA-N 436.577 5.276 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1 223997616 MWXWMRGTJJYODB-JOCHJYFZSA-N 440.590 5.090 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224042812 KROOSMIMBBNOJD-GOSISDBHSA-N 445.003 5.174 0 40 IKAB CN(c1cccc(C(=O)NCCC2CCCCCC2)c1)S(=O)(=O)c1ccc(Cl)cc1 224274423 CCACRPIHSXSNMC-UHFFFAOYSA-N 449.016 5.255 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224384573 DIXKDBAOOLDDNR-CLJLJLNGSA-N 444.648 6.689 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224528383 QYKJHTZBFRABPY-LJQANCHMSA-N 449.566 6.592 0 40 IKAB Cn1c(=O)sc2cc(NC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)ccc21 225021081 CSQLPCNVQNAUAA-UHFFFAOYSA-N 440.977 5.798 0 40 IKAB CCc1ccc(CC)c(CNC(=O)COc2ccc3ccccc3c2Br)c1 225239626 IFZCAWFWHZYQSN-UHFFFAOYSA-N 426.354 5.422 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 225644527 GMMJALIYCJNFOY-WMZHIEFXSA-N 444.616 5.338 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cc(C(C)C)c(OC)cc2C)c1 225668506 KRPLBPVUJQGMML-UHFFFAOYSA-N 439.939 6.834 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)NCCCc1ccc(C(C)C)cc1 225838699 UBONKFURSUKHQG-BWAHOGKJSA-N 430.548 5.231 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 225880137 QFGQIBUUCKYHGL-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 226093856 FBRXNVUUDLXNNE-CYBMUJFWSA-N 439.353 5.258 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 257247328 IYMQKIVZNKMYGL-IBGZPJMESA-N 432.543 5.208 0 40 IKAB CC1CCN(C(=S)c2cc(Cl)ccc2OCc2ccc(Cl)c(Cl)c2)CC1 408572028 DWXNLJOARKGKGD-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccc(OC)cc3)c3ccccc3)ccc21 408576784 MUXCNACWUZQKJL-LGUFXXKBSA-N 446.550 7.002 0 40 IKAB Cc1ccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)cc1 408841268 FBVWPBRSECPCBJ-UHFFFAOYSA-N 439.298 5.202 0 40 IKAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409099184 JZDYQFYSEWUAFX-UHFFFAOYSA-N 437.352 5.012 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2ccccc2)oc(-c2ccccc2)c1-c1ccccc1 409119995 RVTCPGCTTXQXMU-UHFFFAOYSA-N 447.512 5.591 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409164208 DZXGHBWBGJIYPA-AXLWCPOOSA-N 444.940 5.192 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 409183023 RLFRYTZMVZOASW-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)c2ccccc2N1c1ccccc1 409200879 SUPYMPBXIQRAIK-CJLVFECKSA-N 442.312 6.928 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1ccc(Cl)cc1 409246304 APUBBCNRGDGEMF-GZTJUZNOSA-N 447.368 6.303 0 40 IKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(Cl)c3c(c2)OCCCO3)C1 585262243 RYWOOCTUJNCLEH-XJUOHMSHSA-N 433.907 5.128 0 40 IKAB CCCc1cnc(Nc2cc(C)nc(CC3CCN(C(=O)OC(C)(C)C)CC3)n2)s1 585263453 KCQULUKAGTWTNH-UHFFFAOYSA-N 431.606 5.127 0 40 IKAB COc1cccc(CN2CCCCCOc3ccccc3Oc3ncccc3C2)c1OC 643562193 MCMIMLUWZLPHQZ-UHFFFAOYSA-N 434.536 5.456 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1c(Cl)cccc1Cl 684347 INRQVNBKPXLVSV-LJQANCHMSA-N 447.347 5.402 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)cc1 1342643 HYTWOKBQCHMUSY-UHFFFAOYSA-N 428.561 5.017 0 40 IKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3cc(Cl)cc(Cl)c3)c2C)cc1 2085644 FZDWYFSMLFGAAG-UHFFFAOYSA-N 437.326 6.778 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)N3c4ccccc4Sc4ccccc43)ccc21 2178412 WOFBKISGMCCFSP-UHFFFAOYSA-N 435.552 7.649 0 40 IKAB CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2207609 DZPBDMXGLOBEDH-NEEKEDPPSA-N 436.536 6.592 0 40 IKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(Br)cc4)c3cc12 2347812 XZBVNZSCZGJTMA-UHFFFAOYSA-N 441.277 5.603 0 40 IKAB biogenic Cc1ccc(-n2ncc3c(SCC(=O)Nc4cc(Cl)cc(Cl)c4)ncnc32)cc1 2450645 QEUCCLUIUKTUJJ-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB Clc1cccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 2715118 ZMZPOFHZTWOPQD-UHFFFAOYSA-N 445.353 7.006 0 40 IKAB CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1ccc(OC(F)F)cc1 2780148 MNYUHDUYFYSHKX-UHFFFAOYSA-N 429.414 5.878 0 40 IKAB CCOC(=O)CSc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104480 OHXKPCTXMREWIU-UHFFFAOYSA-N 430.982 5.745 0 40 IKAB CCN(C(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cccc2ccccc12 3226033 FWACXQVBWNLAAG-UHFFFAOYSA-N 436.577 5.071 0 40 IKAB O=C(c1ccc(F)cc1)N1CCCCC[C@H]1Sc1ncnc2sc3c(c12)CCC3 3264270 KWSISXHFJDJTJQ-GOSISDBHSA-N 427.570 5.454 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccc(Cl)cc1Cl 3265859 KDBOIFVVYUODJS-UHFFFAOYSA-N 441.270 5.597 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(F)cc2)c(C)c1 3325352 DBSOPUYZJVXKIF-UHFFFAOYSA-N 446.547 5.484 0 40 IKAB CCOc1cc(C(=O)Nc2cc(C)c(Cl)cc2OC)cc(Br)c1OC 3433833 YTAIIATUYQIMSG-UHFFFAOYSA-N 428.710 5.079 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)NCCc3ccccc3)ccc21 4674150 QFYXHJKVOBTDLY-UHFFFAOYSA-N 427.548 5.282 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccc(C)cc23)sc(C)c1C 6599482 AKTGXMZUIGRREI-UHFFFAOYSA-N 444.556 6.318 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)c(C)c2)CC1=O 8361829 XZAGRGAUAFIRCK-NRFANRHFSA-N 425.532 5.231 0 40 IKAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 9192642 HLTAGRALIQPYEK-UHFFFAOYSA-N 441.575 5.301 0 40 IKAB COc1ccc2nc(N(Cc3cccnc3)C(=O)Cc3cccc4ccccc34)sc2c1 9241584 NTWQZKMFEQCNSS-UHFFFAOYSA-N 439.540 5.629 0 40 IKAB C[C@H]1C[C@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 9255912 LBNNTEYWLDZNQJ-SJCJKPOMSA-N 434.348 5.096 0 40 IKAB CCOC(=O)/C=C\COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 9266330 USAHGOZPWAGITK-PLNGDYQASA-N 443.293 5.029 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9633036 FFNJGCQFVHWUJG-UHFFFAOYSA-N 436.562 5.044 0 40 IKAB Clc1cc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc2c1OCCCO2 9782186 CJBCUZOCWMVABQ-UHFFFAOYSA-N 427.957 5.311 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CSc3ccc(C)cc3)nc12 10187744 GNAYZEBLTUVPFO-UHFFFAOYSA-N 449.601 5.642 0 40 IKAB COc1ccccc1CNC(=O)Cc1c(C)c2c(cc(C)c3c(C(C)(C)C)coc32)oc1=O 11867444 FVSLOOARHZMXJL-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB C[C@H](C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1 12220846 NAFDHZYJHNYRHK-KRWDZBQOSA-N 445.588 5.266 0 40 IKAB CCOC(=O)c1sc2nc(CSc3c(Cl)cccc3Cl)nc(N)c2c1C 12557418 IWEZPZAZLCADFK-UHFFFAOYSA-N 428.366 5.358 0 40 IKAB COc1cccc(NC(=O)[C@@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)c1 12565413 FDHGROAFSGRUEJ-NRFANRHFSA-N 447.585 5.661 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c1 12899593 OYBGODPFLSIHIF-UHFFFAOYSA-N 445.523 5.007 0 40 IKAB O=C(CSc1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1)NC1CC1 12950885 YZJDUEZEGLORTM-UHFFFAOYSA-N 443.528 5.118 0 40 IKAB CCOc1ccc(CN(C)CC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OC 13063513 ORAJEGJTWIOVIY-UHFFFAOYSA-N 445.563 5.292 0 40 IKAB CCc1ccc2nc(-c3ccccc3)nc(SCC(=O)NCc3ccc(F)cc3)c2c1 13084618 FJTIEPDPMNKCIO-UHFFFAOYSA-N 431.536 5.407 0 40 IKAB Clc1ccc([C@H](CCOc2ccccc2Br)Cn2ccnc2)c(Cl)c1 13207467 PPLWPROWGNAGPZ-CQSZACIVSA-N 440.168 6.205 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(C)cc2C)c1C 13388577 XOYYPGGYTWZCII-UHFFFAOYSA-N 428.535 5.026 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498349 BQZBTXAWWKHNKX-AREMUKBSSA-N 446.616 5.428 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@H](c3nc4ccccc4s3)C2)cs1 14094923 GRMMDWILOIKYQZ-SFHVURJKSA-N 448.617 5.817 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C 14270495 ITEGVPRGHDOAKG-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB Cc1cc2c(cc1C)-c1c(sn(-c3ccc(-c4ccccc4)cc3)c1=S)C(C)(C)N2 15087239 JBVFCRBLKKMOHQ-UHFFFAOYSA-N 428.626 7.880 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 15906567 UUENVKHVYBAYBA-UIIVTVCRSA-N 440.518 6.028 0 40 IKAB Clc1ccc(CCn2c(-c3ccc4c(c3)OCCO4)cs/c2=N\c2ccccc2)cc1 15981136 YQFARTZTTPXAQJ-RFBIWTDZSA-N 448.975 6.116 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(Br)c2)N3)C1 16192956 WAAAETNXNVUEOZ-FZKQIMNGSA-N 433.415 6.481 0 40 IKAB COc1ccc(S(=O)(=O)N=S=c2cc(-c3ccc(C(C)C)cc3)ss2)cc1 16575958 KNEGLZHLUOGGOT-UHFFFAOYSA-N 437.633 5.796 0 40 IKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(Cl)cc2Cl)n1 17094296 ZZGDNZRFIOYTPN-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CC12[C@H]3c4cccc5cccc(c45)[C@H]3N([C@H]3c4cccc5cccc(c45)[C@@H]31)N2c1ccccc1 17185762 IDPUIWYSFAENMW-SPYHZTOPSA-N 436.558 7.479 0 40 IKAB COC(=O)c1ccn(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)n1 19648325 MIZUQHXNNLQWMO-UHFFFAOYSA-N 448.954 5.593 0 40 IKAB C[C@H](SCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238771 HKTBPOIRHPOYDH-QFIPXVFZSA-N 430.617 5.242 0 40 IKAB COc1ccccc1-c1nnc(Sc2nc(C)nc3scc(-c4cccs4)c23)o1 20667609 URKHPSGNIOTULQ-UHFFFAOYSA-N 438.559 5.938 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797469 QGQPONCMTRUSMV-QFIPXVFZSA-N 449.341 6.271 0 40 IKAB Cc1c(Cl)cccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 22079394 JPASFOKTNHFWIC-UHFFFAOYSA-N 444.366 5.858 0 40 IKAB COCCn1c(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)nnc1-c1ccccc1 24772512 DMDXPRCRHJJTSE-UHFFFAOYSA-N 441.556 5.138 0 40 IKAB CCc1ccc(CN(C(=O)COc2ccc(Br)cc2)c2ccccn2)cc1 27740378 GWYIKJRKYICGRS-UHFFFAOYSA-N 425.326 5.019 0 40 IKAB c1ccc(CN2CCN(c3nc(-c4ccccc4)nc4nc(-c5ccccc5)oc34)CC2)cc1 27985972 PCTUPYDYBATIJY-UHFFFAOYSA-N 447.542 5.274 0 40 IKAB CC(C)c1ccc([C@@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 28291815 NAJIFLAXIMVGEQ-AREMUKBSSA-N 436.640 5.830 0 40 IKAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 35039699 RQTWZWGQENEVSP-QJISPJEISA-N 435.954 5.445 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)cc1 35290895 NVQGNPUSXXSOMQ-UHFFFAOYSA-N 427.529 5.154 0 40 IKAB Cc1ccc(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1C 59109299 OFJHDQQAMRRFLP-UHFFFAOYSA-N 436.602 5.852 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(Cl)c3F)oc12 67295914 YNVCXIPRWXRHKT-CLCOLTQESA-N 429.860 5.175 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)N(C)c2cccc(C)c2)cc1 71328062 VSTJEBMOQHMDIL-UHFFFAOYSA-N 437.609 5.507 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)N[C@@H](C(C)(C)C)C(F)(F)F)cs1)c1ccccc1F 72298247 FGZUURNILPZFHC-FVNWOWOISA-N 443.466 5.073 0 40 IKAB Cc1cc2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc(C(F)(F)F)n2n1 72340930 URPKJWVZOMVKSX-CQSZACIVSA-N 448.514 5.017 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359353 KSZNXYGQAXXNJG-KRWDZBQOSA-N 429.417 5.321 0 40 IKAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nc(-c3ccc(Cl)cc3)no2)[C@H]2CCCC[C@@H]21 78725993 XLGCRVRNEPZDCK-KHDMTIDOSA-N 445.007 5.074 0 40 IKAB COc1cc(NC(=O)NCc2sc(-c3ccccc3Cl)nc2C)cc(OC)c1OC 90593320 VINFHUNHCTZSSO-UHFFFAOYSA-N 447.944 5.119 0 40 IKAB Cc1c(C(=O)OCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)oc2ccc(Br)cc12 101093941 WZOMACIEXSMKAI-QRQCRPRQSA-N 448.357 5.088 0 40 IKAB Cc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)o1 102681941 INWHOOFGASWYAH-VWLOTQADSA-N 426.516 6.694 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 107948202 QTNCBOZWINEBMA-UHFFFAOYSA-N 431.451 6.555 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)Nc1ccc(Cl)cc1 210808920 NNPPICDUARJUPU-RIYZIHGNSA-N 441.723 5.322 0 40 IKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214877399 MXVQZIJGGNFROI-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)CC(C)(C)O2 218843732 MUPAKDYFDZCHOA-SFHVURJKSA-N 432.358 5.172 0 40 IKAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 222564351 GJOUPHZNRSKGLB-UHFFFAOYSA-N 433.423 5.647 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@@H]2C 223104636 VUEMFZCERAKQPG-NSHDSACASA-N 431.717 5.095 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223413704 HYDQKMBNSKQKNX-RPWUZVMVSA-N 432.593 5.016 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223866874 JFRWJHQLHHJACE-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cc(C)cc(C)c1 224193471 LVOJRXIODYERLY-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1C(C)C 224228531 UBRHSURLGSNEAG-UHFFFAOYSA-N 425.528 6.803 0 40 IKAB Oc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224473831 KJUHPPKYSFGHBF-GOTSBHOMSA-N 446.963 5.408 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224586022 CLTJISSOMHYHFL-DNQXCXABSA-N 432.593 5.574 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225136954 YIMMAZNPKNXPSP-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 225160610 MOFGPVNDZJXOPX-LJQANCHMSA-N 447.044 5.297 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225432566 RFOTXYWDVOFIIZ-MOHJPFBDSA-N 440.524 5.950 0 40 IKAB S=C(Nc1ccc(CSc2ccccc2)cc1)NC(c1ccccc1)c1ccccc1 225518829 DDUBSUHQXZZAAU-UHFFFAOYSA-N 440.637 7.055 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)c1 225861262 MQCCXCTWARBZKW-UHFFFAOYSA-N 435.406 6.129 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 257320296 VWCNGAHCFKDSLR-FQEVSTJZSA-N 435.597 5.237 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Br)cc1 408564471 YPHUSUQIHMNRSD-VZCXRCSSSA-N 435.412 5.754 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408577455 SPOCGYODUVGEQH-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Br)cc2)cc1 408696997 DLBJLHMWMXOJEO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)S(C)(=O)=O)cc1 409027312 GTVOPLAWJFZNQU-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccccc1 409102611 YXKGRNICNHHRND-UDWIEESQSA-N 434.879 5.025 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409117321 MZKMUJCEGPIAPP-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCCN1C(=O)/C(=C\c2cc(Br)c(OCC)c(OCC)c2)c2ccccc21 409118697 PSQFRRNRFNMXNK-ATVHPVEESA-N 430.342 5.544 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 409121289 UKHGXLORXIKTJD-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCC 409202550 RGWYGZXLQRBFKX-GIJQJNRQSA-N 438.332 6.032 0 40 IKAB O=C1CCCN1c1ccc(CN2CC[C@@H](Nc3ccccc3)[C@@H](Cc3ccccc3)C2)cc1 585262211 ADVIUCSGLSBFBA-LBNVMWSVSA-N 439.603 5.359 0 40 IKAB COc1ccc(-c2ccc3c(c2)CN(CCC(C)C)CCCCCCCN3C(C)=O)cn1 643570976 OYAIVJORZNOBTD-UHFFFAOYSA-N 437.628 5.922 0 40 IKAB COc1c([C@H]2COc3c4c(cc(O)c3C2=O)OC(C)(C)C=C4)ccc(O)c1CC=C(C)C 1534685655 JKKCZJZRXNPNRF-GOSISDBHSA-N 436.504 5.158 0 40 IKAB Cc1cc2nc(C3CCN(CC(=O)Nc4ccccc4-c4ccccc4)CC3)[nH]c2cc1C 1335308 KJPNTMRWSLYVPO-UHFFFAOYSA-N 438.575 5.665 0 40 IKAB CC1(C)Oc2ccc(C(=O)N3CCCc4ccccc43)cc2N(Cc2ccc(F)cc2)C1=O 1355388 YXTGAIBSWFJZCY-UHFFFAOYSA-N 444.506 5.123 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl 1404547 HFMFPBBDXVCIFZ-UHFFFAOYSA-N 426.243 5.058 0 40 IKAB CSc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 1817799 KQHQCJSMZUACPU-HXUWFJFHSA-N 425.351 5.942 0 40 IKAB CN(CC/C=C1/c2ccccc2CSc2ccccc21)CC(=O)c1ccc(Cl)cc1 2049809 VKQKHYFKXBMODB-RMORIDSASA-N 434.004 6.582 0 40 IKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccccc2)sc(C)c1-c1ccc(C(C)C)cc1 2089037 ZUWFQQVJMVHTBM-MRXNPFEDSA-N 437.561 6.040 0 40 IKAB CCc1ccc(/N=C2\S/C(=C\c3ccc(OCc4cccc(C)c4)cc3)C(=O)N2C)cc1 2176976 APVAUAKEHDSZPH-BLEOTABNSA-N 442.584 6.370 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2342227 RSUZLQJTVQLKRP-OAHLLOKOSA-N 447.431 6.981 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c(C)c1 2438892 XYVRKMORVGYQSH-KRWDZBQOSA-N 448.589 5.029 0 40 IKAB Fc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)c1 2690586 XMGCWMBRAPEOFZ-UHFFFAOYSA-N 431.854 5.773 0 40 IKAB COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC 2691935 GXPMKHCFJVFIJG-UHFFFAOYSA-N 443.934 6.230 0 40 IKAB COc1ccc(NC(=O)c2ccc(CSc3ccc(Oc4ccccc4)cc3)cc2)cc1 3014394 CIHCXIDRFZBIMH-UHFFFAOYSA-N 441.552 7.032 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 3209309 UELIBQADICDLEA-UHFFFAOYSA-N 435.552 6.120 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c(C)c1 3241635 LXYSMMAZPVDIGI-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB O=C(Nc1ccc(I)cc1)c1sc2cc(F)ccc2c1Cl 3327909 QIJTVPHTVRMEAJ-UHFFFAOYSA-N 431.657 5.551 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c1 3388206 FXFUDDIHESPDCX-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3cc(F)ccc23)cc1 8771461 JKXOJJHNOSMDGN-PBBVDAKRSA-N 449.595 6.322 0 40 IKAB c1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 8834428 JPBCLNCLFGEBPW-LITSAYRRSA-N 443.506 6.737 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 8901788 LYMXGDHHASYIBR-LBPRGKRZSA-N 449.001 5.047 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3ccccc32)c1 8927851 VLNDCTCZMZEZTG-QHCPKHFHSA-N 425.937 5.026 0 40 IKAB C[C@H](C(=O)NCCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 8992239 AZRHASKNKOCFPQ-HNNXBMFYSA-N 444.922 5.487 0 40 IKAB CCOc1ccccc1Oc1cncnc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 9186332 GXQQKRJCBOUNBO-UHFFFAOYSA-N 448.906 6.273 0 40 IKAB biogenic CCCSc1nc(SCC(=O)OCC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 9424516 FUWCENLFVZULKM-IBGZPJMESA-N 426.629 5.090 0 40 IKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)cc1OC 9482460 FQOZWGLULJVWSL-KRWDZBQOSA-N 447.922 5.288 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)c1 9515980 QPXDLYZZCYSENM-MHZLTWQESA-N 427.592 5.369 0 40 IKAB O=C(CSc1ccccc1C(=O)NC1CCCCCC1)NC12CC3CC(CC(C3)C1)C2 9585393 PESWYRYAVXUBLY-UHFFFAOYSA-N 440.653 5.316 0 40 IKAB CCN(CC)Cc1nc(N[C@@H](c2ccccc2)c2nccn2C)c2c(C)c(C)sc2n1 9608687 AHUPZIRENNTUFS-NRFANRHFSA-N 434.613 5.085 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NC12CC3CC(CC(C3)C1)C2 9613135 NPJWRHNGPXETLU-DHUDBDOYSA-N 436.983 5.286 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)cc1 9632527 AYVMOJWHZPMTOA-UHFFFAOYSA-N 428.867 5.256 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(Nc4ccc(C)cc4)n3)o2)c(OC)c1 9670389 DPFSYWJWZHHVKN-UHFFFAOYSA-N 440.550 5.555 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)c2nc(-c3ccccc3)oc2C)cs1 9717640 HROMITWHDHDIRB-UHFFFAOYSA-N 433.489 5.148 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(Cc4ccc(Cl)cc4)nc3c2)c1 9779998 ORUPSNLUAKOLKH-UHFFFAOYSA-N 434.923 6.503 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N(Cc4ccc(F)cc4)C4CC4)cc3)o2)cc1 9794665 BRCNEFGMDFPDFP-UHFFFAOYSA-N 427.479 5.656 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1Cl 9846218 YBMFFDBEAFQADS-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](c4cccs4)C(C)C)c(=O)c23)cc1 9912331 WULCJAOMVNPHJR-OAQYLSRUSA-N 437.590 5.008 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 10045125 DXRYASHBVDHSJR-AWEZNQCLSA-N 447.318 5.460 0 40 IKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(Br)cc1F 10741083 YPJZRWKBIWOAHL-UHFFFAOYSA-N 430.302 5.146 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 12468927 XIMJWGVNHLCOMW-ODLFYWEKSA-N 440.326 6.464 0 40 IKAB COc1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OCC(C)C 12579066 ZLNDAUJJCNAWKX-IBGZPJMESA-N 427.932 5.237 0 40 IKAB COc1ccc(-c2cn(C(=O)c3ccc(C(C)(C)C)cc3)nc2-c2ccc(OC)cc2)cc1 12855963 UYENCSLHXXLJNU-UHFFFAOYSA-N 440.543 6.220 0 40 IKAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc(Br)cc1 12879725 XMKRUVYPLARBIW-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB COc1cccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1OC 13095773 AVGPXCDPOXKPGA-UHFFFAOYSA-N 441.980 5.922 0 40 IKAB C[C@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)cc1Cl 13140872 IIASWWWWCLDJIH-ZDUSSCGKSA-N 447.391 5.421 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(Cc3ccco3)c2C)c1C 13141976 WVRGDPNORMVGJA-UHFFFAOYSA-N 430.504 5.205 0 40 IKAB O=C(N[C@@H](Nc1ccc(C(F)(F)F)c(Cl)c1)C(Cl)(Cl)Cl)c1cccnc1 13371537 JJUQEDDJVHWNOA-CYBMUJFWSA-N 447.071 5.292 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 13928587 BIEGYQUCNBEJQF-STZFKDTASA-N 448.316 5.681 0 40 IKAB O=C(c1ccccc1SCc1cccs1)N1CCC(n2c(=O)[nH]c3ccccc32)CC1 14084956 ILIZTRYAJDNKQT-UHFFFAOYSA-N 449.601 5.161 0 40 IKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3ccc(Cn4ccccc4=O)o3)n2)cc1 14250969 KGLWVQCBEOQGTD-INIZCTEOSA-N 433.533 5.379 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 14272393 JJKWEJXQNGBNTG-UHFFFAOYSA-N 440.930 7.425 0 40 IKAB COc1cc(Cl)cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)c1O 15016160 SGTNMWQAEBFUOU-UHFFFAOYSA-N 430.935 6.814 0 40 IKAB N#CCCN(C(=O)CN1CCC(c2nc3cc(Cl)ccc3s2)CC1)c1ccccc1 15480336 JFZCIQXDDHVWND-UHFFFAOYSA-N 438.984 5.076 0 40 IKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)N(C)CC(=O)Nc4ccccc4C(F)(F)F)cc3c2C1 15526851 RQGXSOAOOLBVLN-CQSZACIVSA-N 443.469 5.022 0 40 IKAB Cc1cc(Br)ccc1NC(=O)Cc1csc(NC(=O)Nc2ccccc2)n1 15880593 QLTHJJJABXGHGP-UHFFFAOYSA-N 445.342 5.039 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccccc3Br)nc2cc1Cl 16284325 SBRPOPCWRMKZOQ-UHFFFAOYSA-N 440.775 5.147 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 16610703 UMNWSBUWEUPWLP-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O 17417717 UTXNYGUZJLLOSP-ZICKVNAASA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4)cc3)nc2c1 19638905 FLTCRPOKLDDDHA-KRWDZBQOSA-N 443.572 6.444 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)c2)cc1 19690699 FKCOCCHRXLPCSI-UIOOFZCWSA-N 428.532 5.043 0 40 IKAB Cc1cc(=O)oc2ccc(OCc3nnc(Nc4ccc(Br)cc4)s3)cc12 19923631 QMFMMUMKAYQLDL-UHFFFAOYSA-N 444.310 5.038 0 40 IKAB Cc1cccc(C)c1NC(=O)Cn1c(-c2ccccc2)nc2sc3c(c2c1=O)CCCC3 19996423 VJJKTPBNJGICHJ-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2Cl)cc1 20491486 CDSIFKWAZMDAKF-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1Cl 20610709 WNTJGZUNXYYNOK-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 22076719 SMGZBTXRBKGJLV-UHFFFAOYSA-N 444.344 5.774 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccc(OCc2ccccc2F)c1 22110877 PSAANAMITUPWFD-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB O=c1[nH]c(N2CCc3ccccc3C2)nc2nccc(-c3ccc(-c4ccccc4)cc3)c12 22606771 NDMAYVZSPQSUSN-UHFFFAOYSA-N 430.511 5.215 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(Cl)cc1Cl 26124254 KLWHCHMWWLBTEN-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB CCCCCC(=O)OC[C@@H](O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1 26897178 QZVFMGPBMKBFFB-IZZNHLLZSA-N 425.613 5.588 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cc1C(F)(F)F 27975289 SPNBCPBTNIYVGZ-NSHDSACASA-N 428.248 5.363 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc(Br)c1 32127901 FAPCOPXDGUJSQG-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB O=C(O)c1cccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 33646087 JGESORXUMHYSOC-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB Cc1ccc(Cl)cc1-n1c(C)cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)c1C 33784688 HBUIHYIIEGBVKH-VXLYETTFSA-N 437.883 5.151 0 40 IKAB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)c1 35039631 XZQUAIRRTAIKHW-NDENLUEZSA-N 439.945 6.208 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1ccc(Cl)cc1 35400647 AEGKZVXUCKYYPV-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB CC(C)[C@@H](C)CC[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@]12C 36371933 UBZMQZYNZYTSBT-FENONYOSSA-N 446.672 7.039 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38851453 XLRUHJRCYFGDHK-JOCHJYFZSA-N 434.580 5.969 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc2[nH]c3ccccc3c2c1 44781847 WJPNZQXGCRYWGU-UHFFFAOYSA-N 429.701 5.755 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(CC)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 49421464 BOWYBBJINMFJON-UHFFFAOYSA-N 427.935 6.855 0 40 IKAB CCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN=C1Cc1cccc2ccccc12 72414346 ACDPKRYGPOWPQV-UHFFFAOYSA-N 436.577 5.007 0 40 IKAB CC1(C)CC(N2CC(O)=C(c3nc(-c4ccc(Cl)cc4)cs3)C2=N)CC(C)(C)N1 102724118 NTRCCZHLDOMMRV-UHFFFAOYSA-N 431.005 5.335 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3nc4ccccc4s3)N21 222676001 KGVHHYQGTAGNLT-IPHXSNPTSA-N 431.590 5.461 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223413506 XGJWHSHZIYNVOQ-AREMUKBSSA-N 448.994 5.835 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223960588 GLIHESMPKKBUMH-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 224022427 UATTWVBJNRJHAP-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175020 YMHSGIJYGGMHQJ-LOSJGSFVSA-N 439.588 5.115 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1CSc1ccc(Cl)cc1 224348324 BRBMXHKIPODRQA-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 224371414 LLEGDGBPDVIPNB-FQEVSTJZSA-N 439.606 5.505 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cc1Cl 224525606 QBSFLWOXWKTWCH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1C 224541617 UQSXYFJJVSAUFA-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949017 SDLQTNSYSHEDNP-UHFFFAOYSA-N 425.326 5.834 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3C)cc2)c1 225298404 VJWQMRGLZKOYOC-UHFFFAOYSA-N 447.922 5.946 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 225516302 UXPQZZLVGSBGQG-XUZZJYLKSA-N 440.653 5.340 0 40 IKAB CC1=C[C@H]2C[C@@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]12 226410867 SFPYDOIXKBOBNZ-HCUBDLJJSA-N 443.543 5.043 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccccc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495351 GCLTXTVXGOMTNM-IAFMSYLFSA-N 438.696 6.780 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@@H]2CC=CCC2)CC1 257316637 VGKLLGKQOZIQKM-HSZRJFAPSA-N 444.619 5.306 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)C(C)(C)Oc1ccc(Cl)cc1 408714306 NVRWGGODASCTES-UHFFFAOYSA-N 441.959 5.504 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c(C)n1C1CCCC1 409145225 PTSPCLLYJCDOTL-NDENLUEZSA-N 441.528 5.034 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccc(C)cc1 409169055 OMDKRAXCBQMUHC-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(I)c1OCC 409175175 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C=CNC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 3171853 ARACYJUGSCIUCX-UHFFFAOYSA-N 427.573 5.828 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nc2ccc(F)cc2s1 3364941 KUWQBFUAYZIGJD-INIZCTEOSA-N 445.869 6.183 0 40 IKAB Cc1cccc(C)c1-n1nnnc1C1(Nc2ccc(Cl)cc2)CCC(C(C)(C)C)CC1 4065786 SNWYEZOFYOBPLQ-UHFFFAOYSA-N 438.019 6.476 0 40 IKAB CCc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)CC)CC4)cc1 4148304 GFFWXRSMXHALKX-SFHVURJKSA-N 425.594 6.337 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\CCC(=O)O)c1nc2ccccc2s1 8686174 QKDDXRRNAOILJE-WYMLVPIESA-N 441.915 5.988 0 40 IKAB O=C(Nc1nnsc1Sc1ccc(Cl)cc1)OCc1cccc(C(F)(F)F)c1 8762033 FLERAEQDCKGZIS-UHFFFAOYSA-N 445.875 6.110 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cc2c(s1)CCCCC2 8825776 OCXRCRIJWVNWMI-UHFFFAOYSA-N 429.973 5.771 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1C 8831846 FKNZESSUNYZPCT-UHFFFAOYSA-N 443.355 6.839 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 8923448 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Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)cc1 9667292 XHHLEXNIVOBZGE-NDEPHWFRSA-N 432.523 6.492 0 40 IKAB COc1cccc(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)c1OC 9764540 ZBOAAICMUAAWKF-UHFFFAOYSA-N 425.912 5.208 0 40 IKAB Cc1c(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2ccccc2O3)c(C)c1C 9827895 QJYUYVFYXUFBCG-UHFFFAOYSA-N 436.533 5.388 0 40 IKAB COc1cc2nc(SCc3ccccc3F)n3nc(-c4ccccc4)nc3c2cc1OC 9838596 KZUKKNGVYBGGGB-UHFFFAOYSA-N 446.507 5.393 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2-c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 10314792 ZVERDMXSOJZCJE-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccccc3Br)ccc12 11866688 KYAPYVVQRBHNNL-UHFFFAOYSA-N 435.317 6.034 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1=Cc2cc(Br)ccc2OC=C1 12274596 HPWHRYXQZNKXKH-UHFFFAOYSA-N 434.289 6.170 0 40 IKAB C[C@@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)c1ccc(-c2ccccc2)c(F)c1 12390383 ZINZFFJYSLIRTO-WIYYLYMNSA-N 428.511 5.045 0 40 IKAB O=C(Cc1csc(SCC(=O)c2ccc(F)cc2)n1)Nc1nc2ccccc2s1 12444193 FUCPSESVUJGJBP-UHFFFAOYSA-N 443.550 5.048 0 40 IKAB Cc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3cccc(Cl)c3)n2)cc1 12469027 VZAFMQBSNLOCGU-UHFFFAOYSA-N 432.976 6.661 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)n1 12522984 UFLACYYFTSAXSK-AWEZNQCLSA-N 440.960 5.480 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2csc(-c3ccc(Cl)cc3)n2)c(C)c1 12804436 DZPRQEGITQMMGJ-UHFFFAOYSA-N 427.957 5.099 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 12853042 OJIYULXDJLYUEN-JCVNQNCUSA-N 431.363 5.123 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1cc(I)ccc1C(F)(F)F 12856833 XFKFZBZSVNODRA-UHFFFAOYSA-N 439.602 5.145 0 40 IKAB COc1ccc(CNC(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 12881898 WWTMJANKCWALRC-UHFFFAOYSA-N 426.969 5.184 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 12983998 VOROQGBVPXFPAG-QHCPKHFHSA-N 429.545 5.749 0 40 IKAB CC(C)N(C[C@@H](C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)C(C)C 13960298 PNGFJKZNRHWNHL-OAHLLOKOSA-N 440.481 5.059 0 40 IKAB O=C(CN1CCC[C@@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 14071068 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O=C(NC(=S)Nc1cccc(Cl)c1Cl)c1cccc(OCc2ccccc2)c1 17097415 PGJLWWWDQCISHO-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)Cc2ccc(F)cc2)n1 19525536 AKLOSOBGOJFDQL-NRFANRHFSA-N 436.531 5.136 0 40 IKAB CCn1c(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)nc2ccccc21 19689486 XUJFHMZQUAPBAW-QHCPKHFHSA-N 444.558 5.055 0 40 IKAB Cc1nnc2n1C[C@H](c1cccc(C(=O)NCc3cccc(Oc4ccccc4)c3)c1)CC2 19698227 MWKKOBATRCKJNF-HSZRJFAPSA-N 438.531 5.039 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C3CCCC3)CC2)c1 19700401 SUYHNOGEZNHGOI-UHFFFAOYSA-N 446.635 5.528 0 40 IKAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2ccccc2C(C)C)S1(=O)=O 20063534 OEODDJLBFNKFDV-UHFFFAOYSA-N 446.572 5.378 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20105227 ZYUVRNWZAALRPK-QHCPKHFHSA-N 442.603 5.511 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccccc3)c2c1 20382366 NIHMLHMAEZOELG-UHFFFAOYSA-N 432.545 5.387 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 20609994 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CLEAWRPMHOJRIJ-IBGZPJMESA-N 426.520 5.148 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@H](C)c1nc2ccccc2s1 78714290 QAKDCYSIGYZERQ-AWEZNQCLSA-N 437.590 5.727 0 40 IKAB O=C(CSc1ccccn1)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 95946597 VHSBSEPTZSOAHW-NODNHMOTSA-N 439.584 5.997 0 40 IKAB COc1ccc(C2=NN(C(=O)C3C4CC5CC(C4)CC3C5)[C@@H](c3cccc(OC)c3)C2)cc1 97165261 QPZFTRJIBJABMA-ZGRHOKOCSA-N 444.575 5.454 0 40 IKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1cccc(F)c1F 100219454 GAEJCUDBUAXDEQ-WOVMCDHWSA-N 448.473 5.267 0 40 IKAB COC(=O)CC[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]3[C@H](O)C[C@@]21C 123292341 DJODDBKOSONKJI-QVBYERBYSA-N 448.644 5.137 0 40 IKAB CCCCc1ccc(NC(=O)CN2c3ccc(CC)cc3-c3ccccc3S2(=O)=O)cc1 219476404 YXSOPASLRIBXEZ-UHFFFAOYSA-N 448.588 5.406 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 223093228 VVZRPFUQSRYLKY-JWQCQUIFSA-N 436.669 6.310 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H](C)Oc2ccc(Br)cc2)cc1C(C)C 223354385 IFZJHJFCEFQJKA-CVEARBPZSA-N 434.374 5.534 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 223958531 TXPNOQGDECNJOH-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 224019368 DXNYOZOHDHLQFK-KRWDZBQOSA-N 433.017 5.154 0 40 IKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 224066704 LYSIHNLEWZUBKE-SANMLTNESA-N 428.576 5.443 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224191058 PRHARHDIZPTEIE-HHHXNRCGSA-N 448.651 5.917 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1C 224262553 FKCFJCANINWFKQ-JWQCQUIFSA-N 439.588 5.120 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccc(Cl)cc1 224454606 NJWCUZZCGXIFAR-FGZHOGPDSA-N 431.952 5.098 0 40 IKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224536075 TWKGGDCLLDRBBY-HNNXBMFYSA-N 446.981 5.260 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc2ccccc12 224637502 IRVMQXMVCCHPDH-IBGZPJMESA-N 443.518 6.448 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224789123 XMFKQUAGXFJSMO-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@@H](CC(C)C)c1ccccc1 225488941 CJZRLMHCAYZQCG-HBVBNRCBSA-N 432.589 5.731 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)cc1Cl 225700687 QMSZZFXKCWLELO-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@](O)(c1ccsc1)c1cccs1 253398195 GSBLLUXTFMAIED-OAQYLSRUSA-N 444.965 5.092 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(F)cc3)n2CC)cc1 408564583 ZSHFRLJFTJGBQK-RFBIWTDZSA-N 440.584 6.248 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 408652393 IAANIILWPQCRCO-VUEDXXQZSA-N 446.330 5.020 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2cccc(C)c2)c1 408697829 JZLOZEANSAZPDI-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccc(Cl)cc3)S(C)(=O)=O)cc2)cc1C 408728428 MFDDBZBRMSJNBO-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409012659 RDFILMTUULCFKH-YBFXNURJSA-N 439.801 5.182 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccccc4C)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409038572 AAERZSBXBXAUNV-YQHHHJOQSA-N 445.562 6.035 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)c1 409105608 NJACHLQBGAPWAJ-UHFFFAOYSA-N 427.360 6.237 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409257608 RDQACOLOBQZLQI-NRFANRHFSA-N 446.450 5.325 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C1=O)c1ccc(Cl)cc1 409340981 BRVJVAGMYZWSNM-JAIQZWGSSA-N 441.867 5.658 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409359417 NYNOKEJZCQQHJG-LPYMAVHISA-N 446.528 5.140 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)ccc3C)ccc2Cl)c(C)c1 409381770 NGRWFIADPUJAHJ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 1848353511 TYOGBDJJCUJFMF-DEOSSOPVSA-N 447.460 6.293 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 915757 WYLHZBUSOJSYHR-QGZVFWFLSA-N 448.548 5.028 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)c(C)c1 1267263 OTBVIYFECFAPOC-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 1333709 XMAQWYPUZHYFIU-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1F 1333720 ZPPUSLXMZVOLDJ-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccs1)C1CC1 1341462 URKISQMQYDASGU-JOCHJYFZSA-N 431.001 5.125 0 40 IKAB CCOc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 1360604 IIMYQYHJARXVQF-UHFFFAOYSA-N 432.499 5.378 0 40 IKAB CCCCCOC(=O)c1c(Cl)c(Cl)c(C(=O)OCCCCC)c(Cl)c1Cl 1627616 JGGSVJFCZQHCBA-UHFFFAOYSA-N 444.182 6.994 0 40 IKAB CCN1C=C/C(=C/c2cc3scc(-c4ccccc4)[n+]3c3ccccc23)c2ccccc21 1653701 ZESVCTUYPMCXDY-UHFFFAOYSA-N 431.584 7.201 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 2059459 CBADRIHIFHKWBQ-UHFFFAOYSA-N 441.358 6.796 0 40 IKAB Cc1ccccc1NC(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl 2182472 LROMYFQBAOULOQ-UHFFFAOYSA-N 433.722 6.460 0 40 IKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C(C)C)cc3)cc12 2184814 FHBYBMTVKFCQBR-UHFFFAOYSA-N 429.538 5.622 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCc1ccccc1 2258421 DJXBLPDGMOTJEY-UHFFFAOYSA-N 441.922 5.315 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C)cc2C(C)(C)C)cc1 2325552 DZXBWDJSMILLQW-UHFFFAOYSA-N 442.559 5.757 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)c3ccccc23)c(Cl)c1)c1ccccc1Cl 2358944 ILHWVKOGOJGYRJ-UHFFFAOYSA-N 442.729 7.845 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc(N(CC)CC)cc2)c2nc3ccccc3nc12 2375363 LKDATXUJHDZDIC-KRWDZBQOSA-N 445.567 5.205 0 40 IKAB COc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3)sc2c1 2438724 BNBKPROVSZITHM-NRFANRHFSA-N 440.480 5.161 0 40 IKAB CCc1nc(Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c2oc3ccccc3c2n1 2605643 XLTXJQFVCDXPDR-UHFFFAOYSA-N 438.512 6.664 0 40 IKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)c1ccc(Br)cc1 2629186 HHOHCJKFVLCHQE-LBPRGKRZSA-N 434.384 5.276 0 40 IKAB Clc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)c1 2974978 PFNYAIFJIDKMPN-UHFFFAOYSA-N 445.353 7.006 0 40 IKAB Cc1nn(-c2cccc(Cl)c2)c(Nc2ccc(Br)cc2)c1Br 3239376 WUYRJTATNFPRLA-UHFFFAOYSA-N 441.554 6.103 0 40 IKAB O=C(N[C@H](Cc1ccccc1)C(=O)OCc1c(Cl)cccc1Cl)c1cccs1 3334686 BPBTYIBPAIJNHD-GOSISDBHSA-N 434.344 5.139 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1 3655625 WSZFYQQFMBCSIH-IBGZPJMESA-N 441.527 6.502 0 40 IKAB CCCCOC(=O)CCCCCCCCCCP(=O)(OCCCC)OCCCC 4429437 UJLUQSLJHCNRMV-UHFFFAOYSA-N 434.598 7.667 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3CC)C3CCCCC3)cc2c1 6135003 GKYJWZVWGUOFLS-UHFFFAOYSA-N 447.648 6.185 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 8451059 IGTYJHNHTZSASS-KUCNNQCDSA-N 437.653 5.728 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(C4CC4)nc4ccccc34)n2)cc1OC 8727228 CWAGVUXEDYKSRC-UHFFFAOYSA-N 431.517 5.505 0 40 IKAB CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 8763391 QMAOWZMZBBDZDA-NRFANRHFSA-N 426.607 6.117 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1 8810212 NOONRCKKCIRXOW-UHFFFAOYSA-N 446.931 5.656 0 40 IKAB CCOC(=O)Cn1c(SCc2ccc(C)cc2)nc(-c2ccccc2)c1-c1ccccc1 8857241 NFVWVNVHUFWMND-UHFFFAOYSA-N 442.584 6.381 0 40 IKAB FC(F)(F)c1nnc2n1N=C(c1ccc(Cl)cc1)C=C(c1ccc(Cl)cc1)S2 8894157 NMXOXVYGBYKIPW-UHFFFAOYSA-N 441.265 6.003 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3c(C)c(C)c(C)c(C)c3C)c3ccccc32)cc1 8927666 PAOGQPRRKFXITB-GDLZYMKVSA-N 441.571 5.545 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4cccc(C)c4)cc3)s2)cc1 9062290 MJYVNCDMHRCKLA-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 9155872 MBMFDBNQEBVNFY-RUZDIDTESA-N 448.611 5.714 0 40 IKAB COc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9291395 QBQHUJAQWDHEPP-UNMCSNQZSA-N 434.337 5.954 0 40 IKAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9509352 SPCPMLPYRGOGFB-ZIAGYGMSSA-N 449.407 5.549 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c1 9531041 OYZKZSMJLKWMDU-IBGZPJMESA-N 442.606 5.550 0 40 IKAB CC(=O)Nc1cccc(Oc2ncnc3scc(-c4ccc(Br)cc4)c23)c1 9545498 FBOIRJQFUORCCX-UHFFFAOYSA-N 440.322 5.872 0 40 IKAB Cc1ccc2cc3c(NS(=O)(=O)c4ccc(Cl)cc4)nn(CC(C)C)c3nc2c1 9546066 CJADZLFOHMSQHO-UHFFFAOYSA-N 428.945 5.003 0 40 IKAB C[C@@H]1Oc2ccc(NC(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)cc2NC1=O 9547684 ZQUYQGGEFGTFIA-HNNXBMFYSA-N 443.478 5.265 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccc(Cl)c3)on2)sc2c1CCCC2 9597872 OFJMEGHTLUXIPI-UHFFFAOYSA-N 430.913 5.364 0 40 IKAB C[C@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c3c21 9993252 RKCCFSABTIORMY-INIZCTEOSA-N 446.597 5.862 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nncn1-c1ccccc1C 10244790 RZJBYJGAVBIDDI-UHFFFAOYSA-N 443.016 5.865 0 40 IKAB O=C(COc1ccc(Nc2ccccc2)cc1)Nc1ccc(SCc2cccnc2)cc1 11596232 IHADZHHDFAOBHS-UHFFFAOYSA-N 441.556 6.135 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 12411862 AYDHDEICWWFEHF-XMMPIXPASA-N 429.907 5.879 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 12478518 ZYSIRNVKVBSYGN-BUXKBTBVSA-N 443.569 5.174 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CN1Cc1ccc(F)cc1 12538647 ISMMSHNMHZJTAO-IBGZPJMESA-N 433.914 5.393 0 40 IKAB CC(=O)Nc1cccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 12554737 XRIRLDRDHLHYRG-OAQYLSRUSA-N 427.426 5.456 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 13114230 QTJUHVYLGQLFQH-FQEVSTJZSA-N 445.569 5.709 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(Cl)c(Cl)c3)n(Cc3ccccc3)n2)cc1Cl 13960754 AFPBGAOCFGUGPR-UHFFFAOYSA-N 448.180 7.879 0 40 IKAB COc1cccc(NC(=O)[C@@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)c1 14123997 YCQNHAFPMBVWBV-QHCPKHFHSA-N 449.601 5.658 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c2sc(C(=O)Nc3ccnn3C(C)C)cc12 14128653 YHMPYBIWZCOLFB-UHFFFAOYSA-N 448.379 5.791 0 40 IKAB CC(=O)N1CCC(Nc2nc(CSc3ccccc3)nc3sc(C)c(C)c23)CC1 14135645 ZYNFRFVUEZPSPG-UHFFFAOYSA-N 426.611 5.023 0 40 IKAB C[C@H](NCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 14241899 NWXVOSAYWXICGH-HNNXBMFYSA-N 433.552 5.520 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 14272844 CNVBSQMFKIVVAQ-UHFFFAOYSA-N 446.869 6.034 0 40 IKAB O=C(c1ccc(C2SCCS2)cc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 14498706 CJGZTJFHGXOUBJ-QGZVFWFLSA-N 442.631 5.601 0 40 IKAB COCCNC(=S)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 15224642 CDYVTXUFVDEWKQ-UHFFFAOYSA-N 426.592 5.020 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)c1 15729394 XIFFYXGRPKZNFN-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 16194627 UUGRKSYMSNWUGW-UHFFFAOYSA-N 431.254 5.127 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc(Cl)cc2s1 16384851 UTIMLLXQVWTWSV-QHHAFSJGSA-N 442.780 5.783 0 40 IKAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 16428362 DTRINMQUDXHKSE-HZPDHXFCSA-N 449.382 5.743 0 40 IKAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2Cl)CC1 16681520 NTBFIYGZDBCXJY-XBXARRHUSA-N 438.786 5.441 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17101115 AWTLAQFYDJAHIS-UHFFFAOYSA-N 437.304 5.094 0 40 IKAB CC(C)N1CCc2c(sc(NC(=O)C3CCCCC3)c2-c2nc3ccccc3s2)C1 17113384 CSWIFIAYQBCLTD-UHFFFAOYSA-N 439.650 6.310 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)Cc2ccc(OC)cc2)n1 19525540 PAYBIHDCDKQHTQ-QFIPXVFZSA-N 448.567 5.006 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 19639184 FYKACMOHUQGTCN-VQHVLOKHSA-N 443.721 6.033 0 40 IKAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 19890733 YTQDVJBQFPFPJM-IRXDYDNUSA-N 426.563 5.418 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20105787 LKDBQIDAUCFYLT-UHFFFAOYSA-N 441.575 5.420 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2nnc(SCc3ccccc3)s2)cc1OC 21953764 ODMCDKVUJKQXKA-UHFFFAOYSA-N 435.958 5.143 0 40 IKAB CCOc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22073659 IOZRATKYPKFLTB-UHFFFAOYSA-N 442.814 7.047 0 40 IKAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(Cc2cccc3ccccc23)CC1 22785912 BXMCUNCVLRHANP-SFHVURJKSA-N 432.955 5.422 0 40 IKAB CCCCOc1ccc(-c2cc(C(F)(F)F)c3c(n2)sc2c(O)cc(=O)[nH]c23)cc1 27021303 YVKZWTKDSUSRPB-UHFFFAOYSA-N 434.439 5.708 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)cc1 32111854 GZZJBNBTOGGKPX-UHFFFAOYSA-N 437.668 5.248 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(Br)cc4)no3)nn2)cc1 33021894 MTVFHVSNOKWEKX-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1C 33067925 PAWHLLJZZQCEJF-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB Cc1ccc2nc(COc3ccc(NC(=O)Nc4ccc(C)c(Cl)c4)cc3)cc(=O)n2c1 33068179 KNRWQIHAOQOZBZ-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CCN1CCC[C@H]1CN[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 34719602 SUMBPUAQPZQJBA-PXNSSMCTSA-N 439.909 5.113 0 40 IKAB CSc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 64949880 IIELWRGYRQNFBD-UHFFFAOYSA-N 446.919 5.478 0 40 IKAB Cc1ccc2c(CC(=O)N3CCCN(C(=O)Nc4ccc(Cl)cc4)CC3)coc2c1C 70006126 WDKCJFAADHRKNX-UHFFFAOYSA-N 439.943 5.012 0 40 IKAB COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(F)cc3)CC1)c1cccn1-2 72341666 BZPMCDFWKIZJIP-UHFFFAOYSA-N 433.527 5.005 0 40 IKAB Nc1c(Br)cc(-c2nc3c(Cl)ccc(Cl)c3[nH]2)cc1Br 73634762 USXOBSYMHUVIFS-UHFFFAOYSA-N 435.934 5.644 0 40 IKAB Cc1cccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cc4ccccc4nc3Cl)C2)c1 89669235 AFSWDWGLKIEPCH-NRFANRHFSA-N 435.911 5.129 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N(c3ccc(N(C)C)cc3)[C@@H](C)c3ccccn3)cs2)o1 95468116 PCRAXZZZAXRYNU-SFHVURJKSA-N 446.576 5.509 0 40 IKAB OC1(C(F)(F)F)CCN(Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CC1 95976616 RLEOUFWHAHHUBY-UHFFFAOYSA-N 435.877 5.082 0 40 IKAB O=C(NCc1cccc(F)c1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344426 MCUWFXYWYMWXJF-XMMPIXPASA-N 434.555 5.327 0 40 IKAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)ccc1Cl 100156322 FXAXIFBQUWIUFV-IYBDPMFKSA-N 445.972 5.229 0 40 IKAB CC1(C)[C@@]2(C(=O)Nc3cccc(C(F)(F)F)c3)CC[C@@]1(C)c1nc3ccccc3nc12 100867629 KXQIQCTYFATIJT-GOTSBHOMSA-N 425.454 5.616 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3[C@H]3C[C@H]43)cc2)cc1 102093702 ZRHFBCGGZHHNBG-RFZFRQTISA-N 431.532 5.484 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(C(C)C)cc2)sc2c1C1CCN2CC1 102445856 YBELFHKWTRUYBW-UHFFFAOYSA-N 426.582 5.317 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(Cl)c1OC 106718829 ZDONFKDYGSZVLT-NDENLUEZSA-N 439.920 5.747 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 220717958 DFVGDZNHSXQOOD-HXUWFJFHSA-N 437.005 5.174 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223145882 PJIXICVJAZOHNI-GOSISDBHSA-N 433.017 5.156 0 40 IKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2O1 223219252 LJFQFPBFYRNPEW-QHCPKHFHSA-N 441.015 5.751 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223781361 HWJBYUYBBLHVRI-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224324049 RVXXKTNCHQNHIC-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc(C(C)(C)C)cc1 224520339 QVVMGNUQNBPLNJ-UHFFFAOYSA-N 431.576 6.777 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc(C)o3)cc2)cc1 224692132 VPXCYDXQQMPJND-JWQCQUIFSA-N 441.556 6.261 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccccc1C(F)(F)F 224877489 LDUZKFMZXWIDPX-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCCSc2ccccc2)cc1 224880676 AIVIJMPXBIKXCI-UHFFFAOYSA-N 433.451 6.009 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225282336 FINRZTSKVIQPQR-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225374495 KDOTXIWXNGMECM-LEWJYISDSA-N 438.612 5.083 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225501381 KTOBOQKSFHVDOQ-HSZRJFAPSA-N 439.625 5.395 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)cc1Cl 225506536 GAGXPMAXLCXGSE-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225659008 UOXNGGHHICMEHD-SFHVURJKSA-N 433.017 5.012 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OC)c1 225844537 MVZGJUKGCQIFCD-IBGZPJMESA-N 435.605 5.847 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccc(F)c2)(C(=O)NC(C)C)CC1 257221377 DOUBMWBQFQREEV-UHFFFAOYSA-N 438.587 5.215 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 257238836 HMSKXOLUCMCFCR-UHFFFAOYSA-N 426.944 6.404 0 40 IKAB COc1cc(COc2ccc(Br)cc2C=O)ccc1OCc1ccccc1 408539510 ICLMDRJGKHVSAU-UHFFFAOYSA-N 427.294 5.428 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 408618749 FKMIJNQIQLHRFX-URFUVCHWSA-N 448.349 5.738 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1C 408637541 AGGAKZCSKDCRMP-UNMCSNQZSA-N 428.532 5.644 0 40 IKAB O=C(COC(=O)CN(Cc1ccccc1)Cc1ccccc1)Nc1cccc2ccccc12 408673288 ZOGWWYLGTDGHCD-UHFFFAOYSA-N 438.527 5.024 0 40 IKAB O=C(OCc1ccccc1)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 409182075 IHNDMRQQXMPJCE-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c(C)c1 409373911 ISQIQIWQILJEAZ-BKUYFWCQSA-N 446.528 5.547 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1C 800050 LOMHBAOFWXUYOG-LJQANCHMSA-N 438.515 5.450 0 40 IKAB CC(C)(C)c1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 1653050 AWUDLXWGQXPWFF-BUHFOSPRSA-N 436.680 8.458 0 40 IKAB COc1cccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)coc3c2)c1 1742538 JROYQCFELUZBQU-UHFFFAOYSA-N 437.289 5.810 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@H](C)C2 1940226 FLCJIRPEVLQBGX-GXTWGEPZSA-N 435.973 5.417 0 40 IKAB CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3 2182005 PQQREBYAZUROJL-UHFFFAOYSA-N 442.606 5.152 0 40 IKAB CC(C)(C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc12 2254057 BBZGAHNUBXNATQ-UHFFFAOYSA-N 444.413 5.010 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C 2311969 OIVJVRFFZGVHGX-IBVKSMDESA-N 444.550 6.529 0 40 IKAB CCOc1ccc(-c2nnc(Nc3ccc(C(=O)N(CC)CC)cc3)c3ccccc23)cc1 2363594 PQLYYNJBEWKVRH-UHFFFAOYSA-N 440.547 5.921 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 2454381 BPIANBNHQHWBFH-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)cc(C)c4)c3N2)cc1 3012738 PIIRWWPKKSDYLA-WOJBJXKFSA-N 428.458 5.721 0 40 IKAB O=S(=O)(c1ccc(/C=C/c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1)C(F)F 3177694 UHDLPVSQNHNNIK-VOTSOKGWSA-N 437.467 6.175 0 40 IKAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccc(C4CCCCC4)cc3)cs2)n1 3218144 FHCRTVZGDSNQLS-UHFFFAOYSA-N 438.622 5.995 0 40 IKAB Brc1ccc(-c2nnc(SC[C@H]3CCCO3)n2CCc2ccccc2)cc1 3331331 ATTLFRHZBYHTDH-LJQANCHMSA-N 444.398 5.221 0 40 IKAB COc1ccc(Br)cc1CN(C)CC(=O)Nc1c(Cl)ccc(C)c1Cl 3388636 RWCBBHXPKXZGBW-UHFFFAOYSA-N 446.172 5.143 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)C)C4)N2)cc1OCC 4783915 KXIMFFUCPHXCKB-VFNWGFHPSA-N 428.598 6.125 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(C)C)cc1 8439052 LIFFFDPJIHODKV-UHFFFAOYSA-N 439.577 5.957 0 40 IKAB Cc1cc(C)c(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)c(C)c1 8852104 YSXRSNHGSZTKIU-UHFFFAOYSA-N 443.569 5.119 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1 8872444 RGCXKACVUMWBJI-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB Cc1ccccc1-n1nc2c(c1NC(=O)c1ccc(C(=O)c3ccccc3)cc1)CSC2 9404499 PADNIYILOXKRGA-UHFFFAOYSA-N 439.540 5.411 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2 9462542 CBRMFSLTDNMOMI-UHFFFAOYSA-N 448.632 6.592 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)Nc2ccccc2)CC1 9512884 HQVOKLWEUQUFHZ-UHFFFAOYSA-N 429.520 5.148 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 9614454 DAQAXHHBZPXCQB-XMMPIXPASA-N 437.326 5.566 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 9632178 GZHPOYYZZXFFFT-UHFFFAOYSA-N 431.923 5.416 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccc2)c1 9763424 REVSKFAZNLICGN-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)c3ccccc3-c3ccccc3)C(C)C)n2)cc1 10537175 LJKLLQCUOUKLBJ-UHFFFAOYSA-N 427.504 5.463 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1c(Cl)cccc1Cl 12210623 UAPWXYXENIHMBP-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB O=C(O)c1cccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 12467528 BQXPGZNWMXFWKU-UNOMPAQXSA-N 438.892 5.065 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(OC(F)F)c(Cl)c2)c1 12815128 TXVJIPJORKKDPU-UHFFFAOYSA-N 438.887 5.200 0 40 IKAB COc1ccc2c(c1)c(CC(=O)Oc1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 13041209 QDAPTCCLPDRQOA-UHFFFAOYSA-N 433.891 5.448 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NC1CCCCCC1 13084518 JALVFXFLGMJSOK-UHFFFAOYSA-N 425.985 5.881 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 13141874 UOSAHQMXULNHSU-UHFFFAOYSA-N 426.851 5.183 0 40 IKAB Cc1cccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(Cl)cc2)c1 13583831 QORQZXNKBIACBD-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 14270243 REAPJAWCTJRSPN-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c(F)c1F 14273186 HLXCPLCGTCYDTQ-UHFFFAOYSA-N 443.352 5.277 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 14404830 SMWPZRDHHXQBBL-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB CCOc1cc2c3c(c1)[C@]1(SCC(=O)N1c1cc(C)cc(C)c1)C(=O)N3C(C)(C)C=C2C 14671886 VKVQOWBDFKULEO-SANMLTNESA-N 448.588 5.177 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4OC)ccc3c2C)cc1OC 15729404 OOJJJSZLDMERBX-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ncc(-c2ccc(Cl)cc2)o1 16376250 AVVRTDTWVDXIAI-UHFFFAOYSA-N 437.849 5.474 0 40 IKAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1F 16688754 WKKBVQZLGPXJPW-UHFFFAOYSA-N 434.338 6.400 0 40 IKAB COc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3cccc(OC)c3)c2C)c1 17100851 YGBWGWQFZQAPPK-UHFFFAOYSA-N 436.914 6.384 0 40 IKAB CC(C)C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 18131380 KBWAVFVIZJEUBO-AREMUKBSSA-N 428.576 5.596 0 40 IKAB C[C@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1nnc(-c2cccs2)o1 19297531 RSJSWMRIZGLTOW-NSHDSACASA-N 440.550 6.462 0 40 IKAB O=c1c(CN2CCN(Cc3ccccc3)CC2)c(-c2ccccc2)[nH]c2ccc(Cl)cc12 19793409 ZQOUNKUJAYKHMQ-UHFFFAOYSA-N 443.978 5.166 0 40 IKAB CCN1c2ccccc2C(c2ccccc2)=C(C(=O)Nc2c(C)cc(C)cc2C)S1(=O)=O 20063532 CNMKHJKIHWCWKI-UHFFFAOYSA-N 446.572 5.180 0 40 IKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)CSc1ccccc1 27921491 ZUZXCJZLFRPFBD-UHFFFAOYSA-N 430.371 5.042 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nnc2-c2ccccc2F)cc1 29738467 FPTZJHRWTBQRTH-OAHLLOKOSA-N 447.495 5.878 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)cc1C 30753711 QRIGKTXOYSXGHV-XMMPIXPASA-N 448.588 5.220 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3cccc4ccccc34)c2)cc1 30869378 SMJCJBHYYPECTQ-UHFFFAOYSA-N 437.539 6.386 0 40 IKAB COc1ccc(CCCN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)cc1OC 31496127 SJVIOMZSFDVRAM-UHFFFAOYSA-N 446.906 5.165 0 40 IKAB O=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccc(Oc2ccccc2)cc1 33364338 SFUMTAZWMASGMF-UHFFFAOYSA-N 443.488 5.136 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCCCC1 33519380 QZPSAMHIGWZPFY-DHZHZOJOSA-N 449.776 5.753 0 40 IKAB CCOc1ccc2c(c1)S/C(=C\c1ccc(OC(F)F)cc1OC(F)F)C(=O)N2 33851555 IXYJOPJCZQDUDJ-APSNUPSMSA-N 429.391 5.373 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 35240009 ZKFLQMVAVHGGFP-IBGZPJMESA-N 446.616 6.712 0 40 IKAB c1ccc(S[C@H]2CSc3nnc4c5ccccc5nc-4n3[C@@H]2c2ccccc2)cc1 36625785 FLYYGIVWJQLZTJ-RBBKRZOGSA-N 426.570 5.787 0 40 IKAB CCCSC1=NC2(CCN(C(=O)Nc3ccc(OC)cc3)CC2)N=C1c1ccccc1 40451000 ACZLJNSARGIFOR-UHFFFAOYSA-N 436.581 5.064 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4sc5ccccc5c4Cl)c3)oc2cc1C 40717276 NVAZYKKYQVXQOU-UHFFFAOYSA-N 446.959 7.540 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2ccc(CN3CCCCC3)cc2)c2ccccc2)cc1 44873379 QYIBQMYWCDGRBS-VFCFBJKWSA-N 440.587 5.538 0 40 IKAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2c(C)cc(C)cc2C)c1 57486305 PYVYGJIDXWQWDN-UHFFFAOYSA-N 435.593 5.302 0 40 IKAB CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 57774855 PTWPLXVMNNTQFN-JTHBVZDNSA-N 428.020 5.773 0 40 IKAB O=C(c1cn(Cc2c(F)cccc2Cl)c2ccc(Br)cc12)C(F)(F)F 59182137 PSVIZDRLTBWTDV-UHFFFAOYSA-N 434.614 5.990 0 40 IKAB CCOc1ccc(CC(=O)NC2(c3nc(-c4ccccc4)no3)CCCCC2)cc1OCC 77197402 SZCJXRPYYTUWDS-UHFFFAOYSA-N 449.551 5.052 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1)c1cccnc1Cl 84357595 IAOWQJALPQSSFH-UHFFFAOYSA-N 446.663 5.697 0 40 IKAB Cc1ncc(CN2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 85879501 YWFAIUYJGKVDAI-UHFFFAOYSA-N 432.476 5.014 0 40 IKAB biogenic CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 100156323 LCHKXPXWDLBGEY-QGDZQMKYSA-N 445.902 5.261 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 102879461 ALOQVMRNBVOCJP-HSZRJFAPSA-N 432.955 6.706 0 40 IKAB CC[C@H](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)C(C)C 118912504 FFLGORGANMRISQ-JCTFYIHCSA-N 432.733 7.076 0 40 IKAB CCOc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C[C@H](C)CC)cc1 199421912 PBSJHNDCKPTNGG-QGZVFWFLSA-N 442.401 6.370 0 40 IKAB CC1(C)CCc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2O1 223663646 PVWNOESMCWOZIY-UHFFFAOYSA-N 443.952 6.037 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)[nH]1 224080368 CMCYDLFZOJSPKH-XZOQPEGZSA-N 447.608 5.107 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C(C)(C)C)cc1 224184327 SYDQREGERIGPKF-UHFFFAOYSA-N 446.547 5.782 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 224420937 PIARVTRAYGEFEK-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224580181 ADHTZQUXPOSZEV-RPWUZVMVSA-N 427.529 5.527 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccc2ccccc2c1 224640251 IPRNGHNDQDETDJ-UHFFFAOYSA-N 425.528 6.632 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COCc1ccccc1 224748460 DCQAOJTXSRPSTO-UHFFFAOYSA-N 429.438 6.073 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224814892 CEGRBVBFFZYDDY-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)N[C@@H](C)CC)cc1 225163349 ZNXICJZPLVCOIK-OALUTQOASA-N 429.004 5.167 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225202585 LONLSYIDGFRAON-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB CC(C)Oc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225342564 WALVHCPLJCPLCF-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225381905 ZUQLOUVJQMAXOD-ZEQRLZLVSA-N 432.593 5.402 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(CSc2ccccc2)cc1 225449897 BZHASSPNKASRQL-UHFFFAOYSA-N 444.629 5.960 0 40 IKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(Br)cc2F)cc1 225569138 LDHDXGMSRFVYFY-UHFFFAOYSA-N 425.367 5.295 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225743795 XGHMIPVDBRWQHS-VGSWGCGISA-N 449.422 5.566 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1C 225790187 FWRCKXSNVRLDQD-FQEVSTJZSA-N 436.646 6.350 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(Cl)cc21 226363621 UADLQDLFSGMCAV-UXBLZVDNSA-N 432.759 7.490 0 40 IKAB Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)c1 248193651 NGXURAVDXYYDHZ-YSIASYRMSA-N 448.533 5.084 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC(C)(C)C)CC1 257209953 BSNNJDMQSIKLLA-UHFFFAOYSA-N 440.653 5.527 0 40 IKAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc2ccccc2o1 257294903 QWFCBAXZWFCKDO-AEFYUXCLSA-N 442.559 5.048 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5ccccc5Cl)o4)C3)cc12 257322461 WGBXSLJAAJFBMA-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)C12CC3CC(CC(C3)C1)C2 408528576 JISLTNRRINYQFY-UHFFFAOYSA-N 426.516 6.058 0 40 IKAB O=C(COc1ccc(Cl)cc1CNc1ccc(Cl)cc1Cl)Nc1ccccc1 408607991 LJUVHPWEFXYWOA-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 408637153 GDNXSNZFMNDDRL-UHFFFAOYSA-N 439.924 5.494 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1cccc(Cl)c1 408643689 BOPWFGPTRYDXJY-UHFFFAOYSA-N 434.854 5.490 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(C)c2C)C1 408646140 VPKMPRATFPQZNB-CQSZACIVSA-N 435.749 5.019 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1F 409121755 ZVUORCYJCABJCT-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CC(C)CN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409124673 BHHAIMWSRDGFMG-XKZIYDEJSA-N 438.524 5.552 0 40 IKAB O=C1C[C@@H]2CCN(C(=O)c3cccs3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646959 YHCCGPLFEOWZAI-SFTDATJTSA-N 446.572 5.305 0 40 IKAB Cc1sc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)c(C(=O)OC(C)C)c1C 668874 FQGDLGHYRIHTBG-UHFFFAOYSA-N 431.485 5.494 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)s1 688927 FRUCFIJGXINJJP-UHFFFAOYSA-N 431.536 5.373 0 40 IKAB O=C(CSc1nc2cc(Br)ccc2n1Cc1ccccc1)c1ccccc1 721191 PLZNAWZWIOIZHY-UHFFFAOYSA-N 437.362 5.822 0 40 IKAB COc1ccc(OC)c(-c2csc(N(Cc3ccco3)C(=O)c3ccc(F)cc3)n2)c1 881128 DBAYFKSPQHZADQ-UHFFFAOYSA-N 438.480 5.406 0 40 IKAB Cc1sc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1238193 NJBFXWIDPIVGRP-UHFFFAOYSA-N 449.551 5.589 0 40 IKAB COc1cccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1 1332737 JTALNDSGFSIHPZ-UHFFFAOYSA-N 425.579 5.187 0 40 IKAB COc1cc(/C=C/C(=O)Nc2cc(Cl)ccc2C)ccc1OCc1ccc(Cl)cc1 1748160 QONFPLIAJNEYKD-KPKJPENVSA-N 442.342 6.541 0 40 IKAB CCCCOC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770147 YLFWSYLKEACVPM-QGZVFWFLSA-N 438.520 5.993 0 40 IKAB COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C)C2 1773510 PGDGYRMWDRBIMQ-INIZCTEOSA-N 443.609 5.755 0 40 IKAB COc1ccc(-c2oc3ccccc3c(=O)c2OCc2ccc(Br)cc2)cc1 1791364 HQIUZVMBVWUHIC-UHFFFAOYSA-N 437.289 5.810 0 40 IKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)[C@H](C)CCC4)cc1 1831948 VEVZIELVCAIFGY-GOSISDBHSA-N 446.641 6.530 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 2052155 NIMJGQJNXYHZIK-UHFFFAOYSA-N 436.364 6.195 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2073962 YSQGCFLTIXDYIS-IBGZPJMESA-N 428.561 5.670 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1 2078798 PPGKACBPLXCCTG-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc(C)c1-c1ccc(C)cc1 2088387 LZTRFTNNLREWEH-UHFFFAOYSA-N 437.561 6.106 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4ccc(Cl)c(Cl)c4)c(C)c3cc2c1C 2093421 DMIOFWMUCUQSAX-UHFFFAOYSA-N 444.314 6.343 0 40 IKAB biogenic CCCCOc1ccc(NC(=O)COc2ccc3c(-c4ccccc4)cc(=O)oc3c2)cc1 2093951 WKYZBFRISPMWFE-UHFFFAOYSA-N 443.499 5.656 0 40 IKAB biogenic CCOc1ccc(-c2c(C)sc(NC(=O)c3cc(C)oc3C)c2C(=O)OC(C)C)cc1 2107957 NVILYARTRFPCLP-UHFFFAOYSA-N 441.549 6.150 0 40 IKAB CCc1ccccc1N1COc2c(cc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C1 2115645 UYTZKEWSWWZTMU-UHFFFAOYSA-N 425.528 5.920 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc2ccccc2cc1OC 2659617 UJVMDETUBXUNJF-UHFFFAOYSA-N 449.503 6.145 0 40 IKAB Fc1ccccc1Cn1cc2c(-c3ccc(Cl)cc3)nnc-2c2cc3c(cc21)OCO3 2688446 VHMUICDZYQHWFB-UHFFFAOYSA-N 431.854 5.773 0 40 IKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(=O)n(CCC4=CCCCC4)c(=S)[nH]c3c2)C1 3043887 RYCFVDGSXFRWEU-IAGOWNOFSA-N 425.598 5.068 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)c3)nc2c1 3770747 IDWUQIKRHFEYCH-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 6245023 MXCVAMSMPZMGPM-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB Ic1ccc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc1 8426878 DDEWOVBHRLKZSI-UHFFFAOYSA-N 433.292 6.687 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1N1CCOCC1 8832363 AZLKTDPLKILANQ-SOFGYWHQSA-N 443.330 5.742 0 40 IKAB O=C(Cc1csc(SCc2ccc(Br)cc2)n1)N1CCc2ccccc21 8854570 YEDMQGUSVHCVLS-UHFFFAOYSA-N 445.407 5.330 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1ccsc1)N1CCCCCC1 8863044 ZKWYYUHVHAYRTF-HXUWFJFHSA-N 444.000 5.712 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8903014 NWHLATQWVRKNKQ-GOSISDBHSA-N 428.532 7.048 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H]2CCCC[C@@H]21 9059392 QANJKHRCIWLGFM-WLJLVMMNSA-N 446.517 5.584 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2cccc(Cl)c2)CC1 9063299 BHRGPYXDCGIJFG-UHFFFAOYSA-N 434.967 5.770 0 40 IKAB COc1cccc(C(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)c1OC 9274437 NCJFUUADPRGTQU-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB COc1cccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9291902 VRMXVWYENXLRDN-RBBKRZOGSA-N 434.337 5.954 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccccc1I 9404260 YUDHXNIMMBBQSO-UHFFFAOYSA-N 439.256 5.087 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 9410764 XOILJQPCBYZIHR-IUODEOHRSA-N 426.851 5.511 0 40 IKAB O=C(CCCCCn1cnc2ccccc2c1=O)Nc1cc(C(F)(F)F)ccc1Cl 9448946 SYNLTPQGYOYYOG-UHFFFAOYSA-N 437.849 5.268 0 40 IKAB CSc1cccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)c1 9636094 QFJCXYPRSAFSSO-UHFFFAOYSA-N 436.627 6.878 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccncc2)cc1 9665642 RJOLCCAPXUJXCG-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1 9712554 KMXBKLAJAGLHEO-QHCPKHFHSA-N 448.519 5.009 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(C)n2-c2ccccc2)c1 9793198 UNZCIMOTHGWEMA-UHFFFAOYSA-N 428.561 5.210 0 40 IKAB COc1ccc(C)cc1-c1csc(NC(=O)c2cccc(OCc3cscn3)c2)n1 10579509 DKKJSNIRYDOSDZ-UHFFFAOYSA-N 437.546 5.415 0 40 IKAB Cc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(Br)cc2)n2ccccc12 12341993 QJJFAJVNHXPZMA-UHFFFAOYSA-N 448.320 5.076 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2cccs2)oc1NCc1ccccc1 12637070 UDWUNORYBKJGQO-UHFFFAOYSA-N 430.938 5.501 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC(=O)[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 12656466 PMBSWZWCNKVWLV-UQHMECIDSA-N 442.684 7.139 0 40 IKAB biogenic Cc1nc(-c2ccc(Cl)cc2)sc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 12953758 ROTDUXLHZMUQEW-UHFFFAOYSA-N 435.014 5.548 0 40 IKAB COc1ccccc1N1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 13070174 HZZHJCPYFMFLEN-UHFFFAOYSA-N 436.968 5.347 0 40 IKAB COc1ccc(CCN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 13096358 TWJGXUQCSVZPPT-JOCHJYFZSA-N 428.454 5.226 0 40 IKAB COc1ccc(OCCSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 13098743 YZOKROZNSJMCDU-UHFFFAOYSA-N 438.936 5.219 0 40 IKAB C[C@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405255 NKAAAQIOGVGJLI-NLJBZHCJSA-N 442.640 6.925 0 40 IKAB biogenic CCc1ccccc1NC(=O)CSc1ncnc2c(-c3ccc(Cl)cc3)nsc12 13512669 HYOUNAAVNZDRCW-UHFFFAOYSA-N 440.981 5.700 0 40 IKAB Cc1cc2cc(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)c(Cl)nc2cc1C 13562024 CUCIYGWRCQCJJG-UHFFFAOYSA-N 441.402 6.530 0 40 IKAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 13596781 RQNKLWSCAFZYJF-UHFFFAOYSA-N 440.543 5.681 0 40 IKAB CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@@H](C(C)(C)C)C2 13958594 BUQOUNYTOWJMNS-BSRLHWHNSA-N 443.653 6.231 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc([C@H](C)CC)cc3)n2)cc1 13987182 QITZFBWGQLGXPS-KDURUIRLSA-N 429.564 6.613 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 14154964 FXONNPQMDGMWCT-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 15230969 FTGWMAWRYWOGKN-GTOHKGBASA-N 430.498 6.514 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 16193296 LBNXNZRPFUSASU-UHFFFAOYSA-N 432.336 5.283 0 40 IKAB COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 16195501 APKKIPCDYAVISZ-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB COc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 16195720 BKUPGMHELJAXRW-UHFFFAOYSA-N 430.317 5.466 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(F)cc1 16750880 AFGLTXSYVLZWBU-UHFFFAOYSA-N 438.823 5.638 0 40 IKAB COc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 16954247 FSFLFJACZBAQSM-UHFFFAOYSA-N 428.540 5.702 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)c1 17094576 NQHQQDOLOQTWNJ-GOSISDBHSA-N 425.598 5.227 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1C 17097853 BPPQHVCLUURUGD-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17101829 WQGKMQONQVEVNF-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4ccnn4C(F)F)C3)c(-c3ccncc3)c2c1 19220300 NTVWDYQUECIYKO-KRWDZBQOSA-N 435.478 5.150 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688249 BCISCDCUSINDJR-GOSISDBHSA-N 445.510 5.476 0 40 IKAB COc1ccc(-n2nc(Nc3cc(Cl)cc(Cl)c3)c3c2CC(C)(C)CC3=O)cc1 19816987 YXJUKCZWVGRHNG-UHFFFAOYSA-N 430.335 6.086 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411336 QOBITVQEZISVEG-UHFFFAOYSA-N 429.545 6.053 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20412354 VYJNNWATQWNZIG-UHFFFAOYSA-N 435.549 5.687 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c(Cl)c1 20495698 JACBYEUFIRCPSM-RCCKNPSSSA-N 435.907 5.705 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 20610308 CBIYIMXVTXWFST-UHFFFAOYSA-N 430.508 5.106 0 40 IKAB Cc1cccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)c1 20796080 DJSNJMXUFABEDP-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)o1 23054890 OYJAFIUKYRVLHE-IBGZPJMESA-N 449.557 5.610 0 40 IKAB O=C(NC1CC1)c1ccc(CN(Cc2ccc(Cl)c(Cl)c2)Cc2ccco2)cc1 26926507 BRJUDXCTYKQJLJ-UHFFFAOYSA-N 429.347 5.681 0 40 IKAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccc(Br)cc3)c(C)c2cc1C 28286918 XQYVJRCTQCLWHO-UHFFFAOYSA-N 426.270 5.423 0 40 IKAB CC[C@@H](CO)NC[C@@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 28296655 BXSIGACMNDJOKU-LOSJGSFVSA-N 442.603 5.314 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCO[C@H](c4ccc(F)cc4)C3)cccc2c1=O 29113092 ONINZBGQQHYVDD-QHCPKHFHSA-N 443.474 5.121 0 40 IKAB CCc1ccc([C@H](NC(=O)[C@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 29429432 WDPQPEZKAOCENX-UGKGYDQZSA-N 438.618 5.130 0 40 IKAB Cc1ccccc1OCC(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 32114584 MQZGEXWAVVQFHU-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccc(C)cc3)c2c1 32985754 MUSWWZXWHCMXGS-UHFFFAOYSA-N 440.499 5.404 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 34719719 ZXXATUVQVXOJBR-IJSCMNKZSA-N 429.470 5.797 0 40 IKAB COc1cccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 35588311 ZWZSBPOHBHXCBB-UHFFFAOYSA-N 428.513 5.231 0 40 IKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35646848 UPCSTDJKISKAJQ-ZDLGFXPLSA-N 443.843 5.539 0 40 IKAB Cc1ccccc1CSCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 44847758 PKQWAXIOXKCIGF-UHFFFAOYSA-N 446.616 6.417 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44937096 RSIAANWTGKPVES-QPPBQGQZSA-N 429.004 5.464 0 40 IKAB COc1ccc(CN(Cc2nc(O)c3sccc3n2)[C@H](C)Cc2cccs2)cc1 57688520 WUUNXNJMTWEFCW-OAHLLOKOSA-N 425.579 5.100 0 40 IKAB Cc1cc(-c2cnc(SCC(=O)c3ccc(Cl)cc3)nc2-c2cccs2)on1 57742279 XGRJBBKGGYWEKY-UHFFFAOYSA-N 427.938 5.797 0 40 IKAB O=C(N1CCC[C@H]1c1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 57993505 DBGDOGRJRBHYRW-HDICACEKSA-N 434.590 6.000 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nc2ccsc2c1=O 67209029 BXNIHYONGJANLS-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(Br)cc2F)n1-c1ccccc1 71327532 AMTYXLQRXJLPGU-UHFFFAOYSA-N 447.354 5.641 0 40 IKAB CCOc1ccc(-c2cc3c(=O)n(Cc4ccc(C(C)(C)C)cc4)ccn3n2)cc1Cl 72329611 PYMQDJUCEGNXIA-UHFFFAOYSA-N 435.955 5.561 0 40 IKAB COc1cccc(Cc2cccc([C@@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)n2)c1 72350369 YNBLBYZEHNYJJY-JOCHJYFZSA-N 432.539 5.159 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 72354140 MJNUYBIWOCCLSV-XMMPIXPASA-N 432.539 5.286 0 40 IKAB CC(C)c1ccc(C2(O)CCC(NCc3cccc(NC(=O)c4ccncc4)c3)CC2)cc1 95454544 IUKXPILIQARKQL-UHFFFAOYSA-N 443.591 5.377 0 40 IKAB Cc1c(C(=O)Nc2ccccc2)c(C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 96305997 HNKJICNWECPJCP-UHFFFAOYSA-N 430.895 5.339 0 40 IKAB CC(=O)Nc1ccc(/C=C2/C[C@@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 96767499 ZVEPAWZOZGHONH-CWDSQJGSSA-N 428.532 6.041 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102703523 FWPXXWJCAFWHHE-DNVJHFABSA-N 432.907 5.008 0 40 IKAB CC1(C)CC2=Nc3cc(C(=O)c4ccccc4)ccc3N3C(=O)c4ccccc4[C@@H]3C2=C(O)C1 104164191 ZIYJEQLRLMLTIU-AREMUKBSSA-N 448.522 6.337 0 40 IKAB CC(=O)N[C@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@@H]21 118932535 HKIHSDNRYFUGCU-NHGCSETBSA-N 443.716 6.503 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 214884220 NQBYBVXBHYLNKS-KEBDBYFISA-N 445.371 6.766 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 222752406 STRCGOXZLULJOC-NRFANRHFSA-N 435.395 5.176 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 223640416 NTJPZMYPLJNMFA-UHFFFAOYSA-N 433.913 5.259 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223789733 YFWRRIJJASKVGP-BJKOFHAPSA-N 432.593 5.411 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031440 YTOTZROSRVTKPB-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCCC2)c1 224585975 CLTJISSOMHYHFL-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cc(C)cc(C)c1C 224608735 RDHXSEBWWFQORE-UHFFFAOYSA-N 439.555 6.995 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224846744 HFFIDFYGZQRBOA-MHZLTWQESA-N 442.603 5.011 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)cc1Cl 225348771 NRKOLYYWTRUGCJ-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557253 ZCIMCRMQAMPNNI-QGZVFWFLSA-N 434.407 7.320 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@H]2CC=CCC2)CC1 257302836 SERDTRQQCRJSHA-DEOSSOPVSA-N 444.619 5.387 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)CC1)C1(c2ccccc2F)CCOCC1 257336657 YPKFXMPCOJRFGA-NRFANRHFSA-N 446.566 5.294 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408548777 UZMVZKLCQIVOND-NRFANRHFSA-N 446.450 5.325 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2)c1OCc1ccc(Br)cc1 408575346 NXPSAXGOJXLRTE-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 408602633 FBGDSIAAINZNKC-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1C 408638316 CDSZFBMIICYUSE-UNMCSNQZSA-N 428.532 5.644 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)c1 408639351 FUPGZANTFYMKSB-JOCHJYFZSA-N 436.511 5.932 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 408685343 PCTGWNUMWBIOFG-QFIPXVFZSA-N 443.362 5.546 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2C)n1 408697613 IPKPGYRJOVOAJR-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 408720286 KWTCFPZJWSDUHS-HWUWQJTLSA-N 447.534 5.402 0 40 IKAB Cc1cc(C)cc(NC2=C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 408723790 NJJZXEPZESBVGZ-NDEPHWFRSA-N 438.615 7.302 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409099179 SJXCSAIEZNRKPO-CAUNFOBBSA-N 447.512 5.017 0 40 IKAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 409135305 YGCONAABFYREDM-GOSISDBHSA-N 434.561 5.058 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)c2ccccc21 409353323 JBXYAAUKSZGFDO-XKZIYDEJSA-N 447.560 5.343 0 40 IKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1cccc(F)c1)CCCCCO2 643583197 XMXGKHVNWRKKGI-UHFFFAOYSA-N 433.523 5.680 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(Br)c2)cc1 2087187283 WPHUGYNYSPJBPU-RWEWTDSWSA-N 449.304 5.689 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@H]3Nc4ccccc4C(=O)N3c3ccccc3)o2)cc1 720151 FHLQCMNORAUNIV-VWLOTQADSA-N 438.483 5.894 0 40 IKAB CCOC(=O)c1c(CSc2cccs2)n(C)c2cc(Br)c(O)cc12 778189 ZDQWKRGTTDEBDA-UHFFFAOYSA-N 426.357 5.177 0 40 IKAB CCc1ccccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccc(C)cc1 817179 FLNNEAKYEPMLDR-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3)CC2)c(C(C)C)c1 831046 XBKDTUYEZNPZDI-UHFFFAOYSA-N 428.642 5.568 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CC[C@@H](C)C4)cc1 881256 GHHQNJYMALKJES-OCCSQVGLSA-N 425.579 5.138 0 40 IKAB CCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771702 KUAWWFFCXLJTOK-KRWDZBQOSA-N 430.456 5.583 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 1863883 HLNUUPMWGHPFTJ-HNNXBMFYSA-N 448.950 7.231 0 40 IKAB CCOC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Cl)c(C(F)(F)F)oc2c1 1913159 JTPJXFDGXHPITH-UHFFFAOYSA-N 428.746 5.793 0 40 IKAB CCCCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2235423 QDDXWBGDBRCMGH-UHFFFAOYSA-N 426.879 5.295 0 40 IKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1-c1ccccc1)CCCCC3 2270664 DIFHGUHNNVPNGV-UHFFFAOYSA-N 432.614 6.051 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 2298493 KOAJFYDTOHBNJU-XMMPIXPASA-N 444.922 5.723 0 40 IKAB Fc1ccc(-c2cn3nc(COc4ccc(Br)cc4)n4c3c2CCCC4)cc1 2619164 QMZAAWYLQMCUKT-UHFFFAOYSA-N 440.316 5.620 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1c(C)nc2ccccc2c1C 3344702 JIAWHQVFDPSWRQ-UHFFFAOYSA-N 430.529 6.009 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCCOc4cccc(Br)c4)c23)C1 3353643 WSSFUYJBYCCGLL-GFCCVEGCSA-N 435.412 5.750 0 40 IKAB COc1cccc([C@@H]2CNC3(CCC(C(C)(C)C)CC3)c3[nH]c4ccccc4c32)c1OC 3359476 GFZIDMKWFLSCCF-FKUMYKMDSA-N 432.608 6.352 0 40 IKAB Cc1cccc(Cn2cc(/C=C3/NC(=O)N(c4cccc(Cl)c4)C3=O)c3ccccc32)c1 3652745 ILTDUZGIWIOKNV-YDZHTSKRSA-N 441.918 5.749 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccccc2Cl)cc1 3655539 SRIBCERYDFTJJU-INIZCTEOSA-N 433.891 6.032 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 4073919 BZNIIOGSANMIET-HWNNWUPFSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro O=c1/c(=C/c2ccccc2OCc2cccc3ccccc23)sc2nc3ccccc3n12 6460791 UDKRDUSEZAPGNP-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB O=C1N[C@@H](c2c(Cl)cccc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8722390 PNOSBHMWSPWLBJ-HXUWFJFHSA-N 444.387 5.467 0 40 IKAB Brc1ccc([C@@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 9300955 RZJCTHGSILXXSP-MNZJMPCCSA-N 433.349 6.843 0 40 IKAB Cc1sc2nc(CSc3nnc(-c4ccccc4)n3-c3ccccc3)[nH]c(=O)c2c1C 9562900 DANRHINQRNULNU-UHFFFAOYSA-N 445.573 5.141 0 40 IKAB Cc1oc2cc(OCC(=O)N3CCCC[C@H]3C)ccc2c(=O)c1-c1ccc(Cl)cc1 9576255 BPRBNLPWYVJYCA-OAHLLOKOSA-N 425.912 5.202 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ncccc3o2)cc1C 9668079 UBYJGBYZJSHUQB-UHFFFAOYSA-N 428.275 5.766 0 40 IKAB CCn1c(S[C@@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 9669442 LGXUQDKAVDDYDM-GOSISDBHSA-N 447.391 5.384 0 40 IKAB CN1C(=O)S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O 9720879 DUSPBGZDYWNTSV-KPKJPENVSA-N 430.732 5.513 0 40 IKAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(Cl)ccc(Cl)c3s2)cc1 10218604 RCPFJUGWNMIBND-UHFFFAOYSA-N 443.377 5.104 0 40 IKAB CC[C@@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C)c1ccccc1 10869313 ONWIJCVUXHIFLN-INIZCTEOSA-N 444.000 5.033 0 40 IKAB COc1cccc(Nc2nn(CN(Cc3cccs3)C[C@H]3CCCO3)c(=S)s2)c1 12557545 LSUUZBZHFUODPC-QGZVFWFLSA-N 448.639 5.126 0 40 IKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ncc(Cl)cc1Cl 12624822 OXWMRRGECSEWAQ-MDWZMJQESA-N 439.345 5.234 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 12678225 ZYEGGTVPPFQMDZ-QFIPXVFZSA-N 430.577 5.395 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 12684333 JKYFXMIIGFSPRN-UHFFFAOYSA-N 449.576 5.120 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3F)C2)c2ccccc12 12773812 MXWAAPBAMDIXQB-HNNXBMFYSA-N 440.902 5.132 0 40 IKAB Cc1cccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCC5)CC2)c1C 13038319 SFPJIPQDIFDOOW-UHFFFAOYSA-N 441.604 5.185 0 40 IKAB Cc1ccc(-c2csc(NC(=O)CSc3nnc4cc(C)c5ccccc5n34)n2)cc1 13149931 KSBLOCODMPFZJK-UHFFFAOYSA-N 445.573 5.354 0 40 IKAB COc1ccc(CNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)c(OC)c1 13562829 FBNFXISUFDRSRF-UHFFFAOYSA-N 432.499 5.044 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685463 YXTDSUHEZOBPFP-UXHICEINSA-N 438.527 5.737 0 40 IKAB COc1ccc([C@H](NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2ccccc2)cc1 13987178 JTODAUCUKQYSJN-AREMUKBSSA-N 442.515 5.398 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NCCSCc1ccccc1Cl 14154603 DKEAAPKVJQSCMU-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 14270520 WOBRRAZHMSSGKY-UHFFFAOYSA-N 444.560 5.392 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc(C)c1Cl 14399255 YBSNDRWHELUXRG-AWEZNQCLSA-N 446.827 6.081 0 40 IKAB O=C1/C(=C\c2ccc(Cl)cc2)N=C(SCc2ccc(F)cc2)N1C1CCCCC1 16091177 XFKAFXAKSHSZOI-KGENOOAVSA-N 428.960 6.284 0 40 IKAB Fc1cc2c(c(CSc3nnc(COc4ccccc4Cl)n3C3CC3)c1)OCOC2 16660238 ZRQQJNUITCRENH-UHFFFAOYSA-N 447.919 5.143 0 40 IKAB CC(C)COC(=O)c1ccc(NC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 16740454 QFHCFCQUJOMFAJ-UHFFFAOYSA-N 425.488 5.362 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 17097141 XNALGOFWWWYRGY-KRWDZBQOSA-N 430.573 6.803 0 40 IKAB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc(OCc2ccccc2)cc1 17102566 ABNMCWDQSRNTFU-UHFFFAOYSA-N 438.552 5.644 0 40 IKAB c1ccc(COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)cc1 19329533 LZTISNFRXHXPBF-UHFFFAOYSA-N 434.583 6.282 0 40 IKAB O=C(c1cccs1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 19349209 QBQPPRCDWFRRLZ-MQSCRBSSSA-N 438.543 5.157 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3oc4c(c3C)C(=O)CCC4)c2)cc1 19690680 ZTPFRRHVVBFBFU-QFIPXVFZSA-N 444.531 5.463 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 20144934 BQFCASAKQXGGGC-UHFFFAOYSA-N 435.520 5.513 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccnn3Cc3ccccc3)cccc2c1=O 23141441 YKLGTTLQISQDBD-UHFFFAOYSA-N 435.483 5.266 0 40 IKAB O=C(CCSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccccc1F 24843228 UBBGZYCWBUEWGY-UHFFFAOYSA-N 444.601 5.696 0 40 IKAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 27243347 QEPUGEQXCPUPIX-QGZVFWFLSA-N 442.437 5.456 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)cc1 27795524 KJFDZHRLFVMWIF-UHFFFAOYSA-N 428.355 5.401 0 40 IKAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)c1sc2cc(Cl)ccc2c1Cl 32074462 BFKXEJJLYFYCTP-UHFFFAOYSA-N 440.311 6.664 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cc(Cl)ccc1Cl 32126423 ORMKGPWCZLVQSK-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccs1 32126501 SNUZRMPUEXGDAF-UHFFFAOYSA-N 429.526 5.836 0 40 IKAB O=C(NC(=S)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1)c1ccco1 33767792 FYNUBIMWDZHAKF-FVYHEFSGSA-N 441.556 5.591 0 40 IKAB CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccccc1 35311658 RROJTYMUUWBABL-UHFFFAOYSA-N 435.578 5.009 0 40 IKAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 44918402 NUBLTADSXUTGCJ-NRFANRHFSA-N 447.406 5.624 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-c2nc3ccccc3o2)cc1 57313519 MMRRFWWNQRIOHS-UHFFFAOYSA-N 442.559 6.266 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c(C)c1 67216957 VXUREYSNIXBPDS-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215006 YEYSREHBYLNWCQ-IBGZPJMESA-N 433.593 6.085 0 40 IKAB O=C(c1ccccn1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349241 GJGKRSGZROWVJQ-UHFFFAOYSA-N 425.454 5.106 0 40 IKAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)Nc5ccc(C)cn5)cc34)co2)c1 96154360 CKJDRYYPDKNNNX-UHFFFAOYSA-N 426.432 5.114 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cc2ccccc2o1 101189196 LTYFMEHMBRKJCL-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB Cc1ccc(N2C(=O)N(C(=O)c3ccccc3Cl)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 102140424 OKECINGDEAMTBJ-SQJMNOBHSA-N 432.907 5.971 0 40 IKAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=S)N(C4CCCCC4)[C@@]2(C)Oc2ccccc23)c(C)c1 102431508 UXDSUJMGDOAZPA-UMFSSWHCSA-N 449.620 5.231 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 103718962 RNTXBPHCRXGCKW-LLVKDONJSA-N 431.241 5.312 0 40 IKAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ccc(Cl)cc1Cl 106972134 MFBYTGKQBDVWNZ-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 107042979 QPOSBKJNEYEPBO-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC[C@H](O)COc1ccccc1 118913080 ULILXULMDVDQAM-NKWCGTAYSA-N 425.657 5.817 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222955706 PLKPEZKBCVZJJR-NHCUHLMSSA-N 428.964 5.437 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCCC2 222975380 VVIUSKGFGQQFON-KRWDZBQOSA-N 445.434 5.962 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 222998494 ARCCXUOUAUZZNS-NRFANRHFSA-N 426.626 5.119 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 223404359 DWJSETHTFKJCJR-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223755988 VXKBCSIPZVCZTD-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223932143 KKSVDBQHLXFKIR-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2CCc3ccccc3C2)nc1 223974313 ZKAPUGHJIXPLEL-UHFFFAOYSA-N 442.632 5.443 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224209869 AIQDQQXITSEPRD-GOSISDBHSA-N 433.017 5.012 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224245044 YYIZYARQKMFRRC-LJQANCHMSA-N 447.044 5.071 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c1 224314907 QCBSSCSOFGNPFM-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 224368646 VQFNOBUGFOKJOI-HSZRJFAPSA-N 442.600 5.174 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224407854 YGRWEZWEJISUSA-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc(OC)c1 224585241 HKPOZUJKNLOVJI-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCc2ccc(OC(C)C)cc2)cc1Cl 225569579 VUQCTAKQUNRIRA-UHFFFAOYSA-N 434.989 5.223 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 225643331 RAEXKRZFJFPCLE-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 253498676 JVRUDYNTKOCRNP-VULXQMTISA-N 436.592 6.107 0 40 IKAB biogenic c1ccc([C@@H]2N[C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@@H]2c2ccco2)cc1 253588453 DDHXGJCURYWKBG-MJSOWUPRSA-N 439.558 7.416 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ccncc23)CC1)C1(c2cccc(F)c2)CCOCC1 257254192 KCDFXLDJUSGDAY-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257282585 OUJUNOARMRDOBZ-NRFANRHFSA-N 448.548 5.167 0 40 IKAB COc1cc(C(=O)Nc2cccc(O)c2)cc(Br)c1OCc1ccc(C)cc1 408552097 HHKUWSVWNMIXPG-UHFFFAOYSA-N 442.309 5.303 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(C)cc(C)c3)c2C)cc1 408672323 VRJDUPBSRAKDGK-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 408695099 PEXXUBKPTYYBIX-HSZRJFAPSA-N 425.981 6.737 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(Cl)c2C)n1 408697027 DSWNKVIJSUMEKZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc3ccccc23)C1=O 408807483 CZXBXWOKVWVNPF-LPVHSTFKSA-N 427.593 6.894 0 40 IKAB CC(C)N(C(=O)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)C(C)C 408978209 LHBXBSDPKGCXDV-UHFFFAOYSA-N 426.524 5.405 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409173586 MBODTVREFQTRGM-OTSSDEFXSA-N 438.571 6.552 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 409409072 MNJYSTDGYNVTFP-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1cc2c(c(-c3nc(OC)c4cnn(-c5ccccc5)c4n3)c1)NC(C)(C)C=C2C 618256392 INIBBHYAVZCOQX-UHFFFAOYSA-N 427.508 5.107 0 40 IKAB O=C(N[C@@H](CC1CCC(F)(F)CC1)C(=O)O)OCC1c2ccccc2-c2ccccc21 1082925648 RMSWMCCCXPTECG-NRFANRHFSA-N 429.463 5.194 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1cccnc1Cl 890816 ALTFTVXORATRHL-UHFFFAOYSA-N 442.825 5.081 0 40 IKAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 1027022 CFOHICJDVBLLHQ-XXBNENTESA-N 444.314 5.544 0 40 IKAB COC(CNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1)OC 1447678 PPQFCISJZPTJCF-UHFFFAOYSA-N 442.441 5.137 0 40 IKAB Fc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@@H](c4ccc(F)cc4)N23)cc1 1814214 QLYLIQATMOHGMN-RUZDIDTESA-N 428.507 6.780 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccc(F)cc1 2068833 ZLYWFBQABZNGGZ-UHFFFAOYSA-N 431.579 6.314 0 40 IKAB Clc1ccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)cc1Cl 2266675 MLYYYBCAVPVFKK-UHFFFAOYSA-N 445.147 7.110 0 40 IKAB O=C1CS[C@H](c2ccc(Br)cc2)c2c(O)nn(C3CCCCCC3)c2N1 2422081 FKFNDYDISZVPEF-QGZVFWFLSA-N 436.375 5.021 0 40 IKAB O=S(=O)(c1cccc(-c2csc(-c3ccc(Cl)cc3)n2)c1)N1CCCCCC1 2426155 JCBUYVBSZVAROU-UHFFFAOYSA-N 432.998 5.695 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)Cc3ccccc3)c3ccccc3n2)cc1 2769278 MTUDABPUBIINMC-OAQYLSRUSA-N 438.571 6.442 0 40 IKAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 3103149 XIUVAQVUIOBRLH-SNVBAGLBSA-N 431.842 6.028 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3230307 PZWMETNNYFKORD-RCCKNPSSSA-N 437.536 5.735 0 40 IKAB COc1ccc([C@@H]2N(c3ccc(OCc4ccccc4)cc3)C(=O)C2(F)F)cc1OC 3366331 SHLXVOXFCBLGLX-QFIPXVFZSA-N 425.431 5.006 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](NC(c1ccccc1)c1ccccc1)c1ccccc1 8734359 YXGKIDROXZQNQX-NDEPHWFRSA-N 436.555 6.063 0 40 IKAB Cc1c(CCC(=O)NCc2ccccn2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8791426 AHAVTZKIOVCHKH-UHFFFAOYSA-N 438.483 5.159 0 40 IKAB biogenic CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccccc2Cl)cc1 8836469 CLOKEBVGHKNQLG-UHFFFAOYSA-N 426.951 6.646 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)c1 8871410 FEQHTJVECFXNOP-QFIPXVFZSA-N 447.538 5.767 0 40 IKAB COc1ccc2[nH]c(=O)c(-c3nc4ccccn4c3Nc3cccc(Cl)c3C)cc2c1 9210894 SBGDDYCUVPUYQL-UHFFFAOYSA-N 430.895 5.557 0 40 IKAB CCOc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1 9293641 KKZLKVSLRFDGFH-UHFFFAOYSA-N 448.570 6.746 0 40 IKAB COc1ccc(-c2csc(Cc3ncc(-c4cc5ccccc5oc4=O)s3)n2)cc1 9349087 AILWMQPCSHUSJP-UHFFFAOYSA-N 432.526 5.639 0 40 IKAB CC[C@@H](c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9414247 ABECTXRKMAEFIA-VGSWGCGISA-N 447.608 5.184 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 9461458 KQEXPQCLPQQHQR-DHIUTWEWSA-N 442.519 5.699 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Br)cc1)Nc1ccccc1 9599245 RGLYKRMPQDTWIX-UHFFFAOYSA-N 442.382 5.293 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(C)cc23)cc1OC 9676035 QVGPRHOQXNNYPQ-UHFFFAOYSA-N 429.907 6.220 0 40 IKAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1 9872475 SVYSJXCLLMLUFF-RXVVDRJESA-N 448.592 5.294 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 9889908 MADLUWURPODEFP-QFIPXVFZSA-N 425.554 5.006 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)cc1 12529526 XORFGGIMFXHNKC-AWEZNQCLSA-N 430.379 6.621 0 40 IKAB Fc1ccccc1OCCSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 12546463 DBVJQBKVSMSKCY-UHFFFAOYSA-N 446.469 6.414 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1 12858073 FWYJUYQRIJDRMN-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4nccs4)c(C)c3cc2c1-c1ccccc1 12892460 FRSWLAYCCQDCAX-UHFFFAOYSA-N 444.512 5.851 0 40 IKAB biogenic CC(=O)N(c1nc(/C=C2\N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1cccc(C)c1C 12926605 SBHFRSNVLIAXST-MTJSOVHGSA-N 445.544 5.406 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1cc2ccccc2o1 13095504 XAUMGDNUJFGXHX-RNODOKPDSA-N 433.335 5.371 0 40 IKAB Fc1ccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 13097500 ZEFVFMBSLPLAHJ-SANMLTNESA-N 432.502 6.937 0 40 IKAB CCc1cccc2c(C(=O)COC(=O)c3ccccc3Nc3cccc(C)c3C)c[nH]c12 13098843 MNGWZVWIPCKNIF-UHFFFAOYSA-N 426.516 6.130 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc4[nH]c5ccccc5n34)n2)cc1 13148664 QJLPHFUUYJLUIM-CYBMUJFWSA-N 448.577 5.016 0 40 IKAB C=C/C=C(\C=C(/COC)OC)C1(C(=O)Nc2ccc(Cl)c(Cl)c2)CCOCC1 13482112 MVQVXSFPVVYWAX-VPGZUFKVSA-N 426.340 5.018 0 40 IKAB CC(C)(C)NC(=O)[C@H](c1ccccc1F)N(C(=O)c1ccc(Cl)nc1)c1ccccc1 13563915 KEMAZLPRTYQBIZ-NRFANRHFSA-N 439.918 5.177 0 40 IKAB O=c1[nH]c2c(cc1CNc1ccc(F)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 13564716 YWAQPQWHHNLTSY-UHFFFAOYSA-N 428.442 5.271 0 40 IKAB CC[C@@H](CO)Nc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13787462 KHWVHJHKHRHZQY-AWEZNQCLSA-N 436.606 5.300 0 40 IKAB COc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(F)cc4)cc3)c(-c3ccccc3)[nH]2)cc1 13799087 KDCRPQMXTCIEBF-UHFFFAOYSA-N 448.497 6.789 0 40 IKAB O=C(NCc1ccc(F)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992096 KBACSNSFCLNXJV-UHFFFAOYSA-N 445.544 6.156 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1 13997895 SQLUTVTZAGYSPA-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 16047937 VHMWCQPXASJEOE-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@H](c1ccccc1)[C@H]1CCCC=C1N1CCCCC1 16249393 KRZMLUCWKMLMMF-RPLLCQBOSA-N 427.592 6.188 0 40 IKAB Clc1ccc(-c2ccc(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)o2)c(Cl)c1 16491962 KYZIXAOBIDGHPU-UHFFFAOYSA-N 431.322 7.978 0 40 IKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(Br)cc3)c3ccccc32)cc1 16778051 KUDRVTFUEZKJOV-UHFFFAOYSA-N 448.320 5.235 0 40 IKAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5ccc(Cl)cc5)oc4C)ccn3n2)cc1C 16840033 YSPFVRHPZWNZBE-UHFFFAOYSA-N 444.922 5.445 0 40 IKAB O=C(NCCc1ccccc1)/C(=C\c1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 16958403 PKMMAATXOOEUIU-PXLXIMEGSA-N 439.342 5.123 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 17095172 CIFYPDZGRDDWLX-UHFFFAOYSA-N 426.903 7.116 0 40 IKAB COc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 17103161 APNKVUBIIOKJIQ-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1cccc(C(F)(F)F)c1 17272460 DWMFGNDYTDTTGB-UHFFFAOYSA-N 438.500 5.015 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 19081963 QSUNDQZKZQFYRI-GJZUVCINSA-N 449.639 5.519 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 19633166 AVPRBGAYTCKNFQ-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB O=C(c1ccccc1)[C@H](SC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccc1 19859334 WBSQKMNRDBWOLH-RUZDIDTESA-N 446.641 5.447 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 20035081 SKZKPUDGVGVABZ-OAQYLSRUSA-N 428.941 5.022 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 22237757 ZPTSZAFIOLTKEW-UHFFFAOYSA-N 425.863 6.144 0 40 IKAB FC(F)(F)c1ccc(-c2noc(CSc3nncn3-c3cccc(Cl)c3)n2)cc1 25055525 FYIIGSWXOIUXSG-UHFFFAOYSA-N 437.834 5.282 0 40 IKAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl 27348228 YOYXVXHAYFSKBT-IBGZPJMESA-N 432.351 5.000 0 40 IKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@H](C5)[C@H]4C3=O)cc2)cc1 34688192 PRSPEYOGYGQESV-MILZPUNESA-N 449.550 6.116 0 40 IKAB Cc1cc(C)c2c(c1)cc(CN(Cc1ccco1)C(=O)Nc1ccccc1C)c1nnnn12 35289730 DUPVZUIIPSUZML-UHFFFAOYSA-N 440.507 5.030 0 40 IKAB CCOc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3Cc2ccccc2)cc1 36613511 KHXWBEJEGJLIPC-UHFFFAOYSA-N 426.520 5.316 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccco2)cc1Cl 40739805 ICMFGJYRDCZTLH-UHFFFAOYSA-N 441.152 6.218 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(NCc3ccccc3)c2c1 49421529 MGHJPBLBZNTYEZ-UHFFFAOYSA-N 432.545 5.251 0 40 IKAB CCOc1ccc(C(=O)NC[C@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 57355286 PFRLJZSENZBHLZ-HSZRJFAPSA-N 444.531 5.146 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)c3sccc3Br)s2)cc1 58440684 AUNSRXQXASXSDA-UHFFFAOYSA-N 426.386 5.215 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)c(Cl)c1 67293065 CSQUTTMSIDKPBK-ZLXSMEDCSA-N 431.319 5.189 0 40 IKAB O=C(Nc1nccs1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl 67294965 UVIOZDYXBLICFB-MOHJPFBDSA-N 434.279 5.820 0 40 IKAB CC(C)Oc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 72341432 LRWDIRNFKZDFFZ-GMAHTHKFSA-N 441.641 5.190 0 40 IKAB Cc1cc(-c2csc(NC(=O)c3cc4cnn(C(C)C)c4nc3C)n2)c(F)cc1F 79013964 OPDCAEKRJUDEFH-UHFFFAOYSA-N 427.480 5.283 0 40 IKAB Cc1ccc(NC(=O)CS[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 89634996 PGVFCEJVJLPVPI-HNNXBMFYSA-N 435.574 5.393 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 96437998 RIGMQGWSKXUGRZ-QHCPKHFHSA-N 430.508 5.230 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 100571891 FXSYYMGBMPXVBO-UPRGNFPPSA-N 444.531 5.166 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1 100945533 CKHWGQAGHQQPTC-GSDHBNRESA-N 434.495 5.199 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101068346 IUTLYTNICBKNHE-SDHOMARFSA-N 440.543 5.031 0 40 IKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C(C)(C)C)cc1 101639442 LUKQXVJWLACPJD-SANMLTNESA-N 444.619 7.433 0 40 IKAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 118916273 QUYCEUJYTAJEMW-AJYBDFPZSA-N 448.569 6.463 0 40 IKAB Cc1ccccc1NC(=O)CN1C(=O)S/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 210806971 ZPWYMRKDTOJHQQ-PXLXIMEGSA-N 444.512 5.462 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575243 FTKVHVVHEXMUDV-XXBNENTESA-N 444.641 5.023 0 40 IKAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)S(C)(=O)=O 222384745 XOJZTWQYMMCWQB-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3ccc(C(=O)O)o3)C3CCCCC3)ccc21 222554337 GPLADXVVSIOQPD-UHFFFAOYSA-N 443.931 5.537 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223043177 ZTCUFAXYCNFXRX-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc2c(c1)CCCC2 223081476 YZCDODWQEPJJSC-OAQYLSRUSA-N 430.386 5.591 0 40 IKAB Cc1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 224066570 HFAIFLMXHLOXOV-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224324111 RVXXKTNCHQNHIC-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1 224329791 LKFYZEQTLLNMFB-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224967578 JAVCDRWDMQIXNH-AREMUKBSSA-N 436.640 5.365 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225088288 ZPMBZECMQFSXFU-FCHUYYIVSA-N 430.592 5.413 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)cc1Cl 225362733 MRBNGCNPLNBMDT-UHFFFAOYSA-N 432.303 6.445 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 225481491 NYDSEGNPKRNZGR-UGKGYDQZSA-N 445.003 5.058 0 40 IKAB CC[C@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557721 WKQTYRZCFTYFOZ-SFHVURJKSA-N 448.434 7.628 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 225673085 GAVQPSRKUHKRPX-FQEVSTJZSA-N 443.031 5.586 0 40 IKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)cc1C(=O)OC 225844618 BOLHZLMHOPTTDX-UHFFFAOYSA-N 435.605 5.848 0 40 IKAB Cc1cccc(Nc2cc(C)nc([C@@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)n1 257242908 IERHTSVFGPLVSF-QHCPKHFHSA-N 442.519 5.105 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 263583745 XUGISPSHIFXEHZ-BJLUCEPUSA-N 428.701 7.960 0 40 IKAB COc1cccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)c1 408572783 IGXDUMVDJFDHGV-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408573231 JGXFWGXQNWIHTR-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408642701 PNGSRLPYOMWUOW-LJQANCHMSA-N 430.504 5.096 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2Cl)cc1 408674806 CSQCYGWDPTUMOK-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408696105 WEOQFWPYZPSTBE-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408800585 PYVUZJWWGSMEQR-NBAINJDCSA-N 435.613 6.529 0 40 IKAB O=C1OC(c2ccco2)=N/C1=C/c1ccccc1OC(=O)c1sc2ccccc2c1Cl 408844406 OKNUNCYYQMWPPA-NTCAYCPXSA-N 449.871 5.711 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 408909650 HPMFVXADNWHJNI-NTEUORMPSA-N 447.343 5.446 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCC(C)C 409362088 SFRYHQRLSPNZOE-RGVLZGJSSA-N 431.941 6.014 0 40 IKAB CCCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264514 FREWQSFDTFMRCH-AWAHEQQVSA-N 442.527 5.565 0 40 IKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585265301 IHLNPZPNQWMJKK-UHFFFAOYSA-N 435.520 5.947 0 40 IKAB COc1ccc(C=Cc2nc(C(Cl)(Cl)Cl)nc(C(Cl)(Cl)Cl)n2)cc1 1857793028 MCNPOZMLKGDJGP-UHFFFAOYSA-N 447.964 5.704 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccccc2Cl)cc1 652538 MQANMGXDPVIUHI-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 1222366 VBQYZPOQINXQBH-SFHVURJKSA-N 444.560 5.371 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4oc5ccccc5c4C)ccc3o2)c1 1413844 QCLBZRGXNKOTHR-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB CCc1cccc(OCC(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](C(C)(C)C)C3)c1 1916567 FRGYUIRQXFAZQB-INIZCTEOSA-N 429.582 5.266 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1944542 DFYWFTXMTIWCNU-CYBMUJFWSA-N 435.973 5.357 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3cccc4ccccc34)c3cc(C)cc(C)c3n2)c1 2079759 DNWZJHISYAITRA-UHFFFAOYSA-N 432.523 6.933 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 2161957 BTSPKFGPZQNVMI-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2206650 XHVMPOIFGFJTBL-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccccc1 2275066 SERNFSOGUSOAQA-UHFFFAOYSA-N 443.615 6.265 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2Cl)cc1 2445860 RVLNXUXRNLKCTQ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSc1ccc(Br)cc1 3104401 ANRVRXASOQUWCG-GFCCVEGCSA-N 430.820 5.492 0 40 IKAB CC(C)Sc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 3107041 LJFPBVKKEKOJPT-UHFFFAOYSA-N 427.378 6.121 0 40 IKAB O=C(Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3)c1ccccc1F 3192558 DBLQFLMWOSMPOT-UHFFFAOYSA-N 435.549 6.113 0 40 IKAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3413077 CKEGNAVGLWLNPB-HFZDXXHNSA-N 428.576 5.104 0 40 IKAB C[C@@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccc2ccccc2c1 3420509 SCXLBRQYHDQLSY-LJQANCHMSA-N 444.556 5.156 0 40 IKAB COc1ccc(CNCC[C@@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 4027902 IGJZWRNLGLPQPE-NHCUHLMSSA-N 427.585 5.181 0 40 IKAB biogenic O=C(NC[C@@H](c1ccccc1)C1CCCCC1)NC1c2ccccc2Oc2ccccc21 4760921 GVLIBYKYYQSRNA-DEOSSOPVSA-N 426.560 6.545 0 40 IKAB COc1ccc(-c2c/c(=N\c3ccc(OCc4ccccc4)cc3)c3cc(O)ccc3o2)cc1 6162673 XAPVXPAKWXNFSO-KDJFERLWSA-N 449.506 6.625 0 40 IKAB Cc1ccc(C)c(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c1 6752559 NAGDMPRLWKTYOO-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc(C)c1Cl 8832340 LJGDELBKNSRFRV-UHFFFAOYSA-N 448.906 5.973 0 40 IKAB CCOCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9015829 INVWGEJXFPWLIB-UHFFFAOYSA-N 438.553 5.189 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 9019559 ZUUFBXFDSHTACT-UHFFFAOYSA-N 447.966 6.319 0 40 IKAB Nc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@H]3c1cccnc1 9302896 FFDHLPRSWVQKEG-JOCHJYFZSA-N 442.482 5.208 0 40 IKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9428294 ZZJQKYOEOKLPMV-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccc(Cl)cc1 9550096 YIFNHCPVIUGZHP-UHFFFAOYSA-N 429.907 5.037 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccc(F)cc2)[C@@H]1c1ccc(OC)c(OC)c1 9614634 OWDCUFYAOHKHSD-XMMPIXPASA-N 445.494 5.583 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1ccc(F)c(Cl)c1 9703317 AJGWNGFEFGGDNK-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB COc1ccc(Cc2nnc(SCC(=O)c3cc(C)n(Cc4ccccc4)c3C)o2)cc1 9792952 SGCJESGDOOIEIU-UHFFFAOYSA-N 447.560 5.111 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120146 ZILHYPBWGNJBRT-UHFFFAOYSA-N 441.314 6.051 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(Br)c4)cc3)oc2cc1C 10120309 LGGBYVXBNMECGY-UHFFFAOYSA-N 435.321 5.804 0 40 IKAB O=C(C[C@H]1SC(Cc2nc3ccccc3s2)=NC1=O)Nc1ccc2ccccc2c1 10275405 RSAJSGRVOBZJJS-LJQANCHMSA-N 431.542 5.061 0 40 IKAB CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(Cl)s3)sc2c1 10832981 OHJZPSMBRDTITH-LLVKDONJSA-N 425.000 5.559 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(SCc2ccccc2)ncc1Br 11916305 QXNJORBHWGKOEE-UHFFFAOYSA-N 434.746 5.437 0 40 IKAB Fc1ccc(-c2nc(-c3cc(Cl)cc(Cl)c3)nc(-c3ccc(F)c(F)c3)n2)cc1 12374740 NAMCQJMWEGRZRK-UHFFFAOYSA-N 432.232 6.597 0 40 IKAB Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3-c3ccccc3)n2)cc1F 12551726 XHYFBQBOXTVMTD-UHFFFAOYSA-N 433.468 5.317 0 40 IKAB CCOc1cc([C@@H]2NC[C@@H](c3ccc(OC)cc3)c3c2[nH]c2ccccc32)ccc1OC 12683079 WGCZLEVZAYUPRK-LVXARBLLSA-N 428.532 5.408 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3ccc4c(c3)OCCCO4)cs2)cc1 12748623 AWSBHPIKXHWLIT-UHFFFAOYSA-N 426.563 5.086 0 40 IKAB CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 13012568 IINGXNUKQKRJDC-HNNXBMFYSA-N 430.570 5.286 0 40 IKAB CCOc1cc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)ccc1OC 13039401 KEDPKIVXFVUEHE-DYTQJMLRSA-N 430.957 5.254 0 40 IKAB Cc1cccc(OCCCn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)c1 13039583 FGGUQPORRZOLOW-QHCPKHFHSA-N 426.604 7.164 0 40 IKAB Cc1ccc2cccc(Oc3nc(CN4CCOCC4)nc4sc5c(c34)CCCC5)c2n1 13074232 UVSHKJCLKZXOMH-UHFFFAOYSA-N 446.576 5.051 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@H](C)Oc2ccc(F)cc2)o1 13113075 JRYOGFZPJRKEDU-UONOGXRCSA-N 425.485 5.502 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 13499978 WJKVJMMMMRFIDI-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB COc1ccc(-c2coc3c4c(ccc3c2=O)OCN([C@H](C)c2ccccc2)C4)cc1OC 13730377 PPUAZMNIWYNNGW-QGZVFWFLSA-N 443.499 5.390 0 40 IKAB biogenic Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(F)cc1 13945795 WPXMWRNWUMIBTE-VWLOTQADSA-N 427.479 5.189 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccc(F)cc1 14081550 ZEBIPTCIGCNTBA-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB COC(=O)c1ccc(COc2ccc(/C=C/c3nc4ccccc4s3)cc2OC)cc1 14361459 FSWWEENEGBWRCL-GXDHUFHOSA-N 431.513 5.841 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14399559 SKMGAARSBLYUIJ-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4cccc(OC)c4)c(C)c3c2)c1 15729522 YHYJCLRACVNCCZ-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic COc1cccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 15778738 UROZIWAFZZDREJ-HXUWFJFHSA-N 434.883 5.310 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 17096951 DVERUFOLDHNGJB-UHFFFAOYSA-N 430.504 5.549 0 40 IKAB CCCS(=O)(=O)N1CCCc2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc21 17286607 RDSHRMULBLIYPZ-UHFFFAOYSA-N 434.561 5.098 0 40 IKAB C[C@H](OC(=O)Nc1ccc(Cl)cc1)c1cccc(NC(=O)Nc2ccc(Cl)cc2)c1 19014978 RGLPJASNTHMEBQ-AWEZNQCLSA-N 444.318 6.947 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373079 AOFOSOZXHKJOEF-IRLDBZIGSA-N 439.563 5.345 0 40 IKAB CCc1cccc(C)c1NC(=O)C1=C(c2ccccc2)c2ccccc2N(CC)S1(=O)=O 20063536 OLQUUWSOPPLGFU-UHFFFAOYSA-N 446.572 5.125 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c(C(=O)O)c1 20150877 UVSCBCUGIMEOJI-XBXARRHUSA-N 436.678 6.257 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 20150986 CJSDPUVQWSKPMV-UKTHLTGXSA-N 449.890 6.013 0 40 IKAB Cc1ccc2[nH]cc([C@H](C(=O)O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20737189 BBSLLIRKNWLBQQ-HHHXNRCGSA-N 439.559 5.009 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 22073671 LTXJBFGWRXFRNH-PYMPDBRZSA-N 440.027 6.622 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504551 IGLGTODMLVUFIA-UHFFFAOYSA-N 441.940 5.647 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(Oc4ccccn4)cc3)c2C)cc1 30802543 XYIBQDIDXSVQPZ-UHFFFAOYSA-N 428.492 5.002 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccccc2)C(=O)Nc2ccc(Br)cc2)cc1 33326340 DHXHUFYDHCARMH-QNGOZBTKSA-N 435.321 5.167 0 40 IKAB CCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 35042174 MMQDPPWWWTXTQF-DEDYPNTBSA-N 431.941 5.764 0 40 IKAB CN(C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C(c1ccccc1)c1ccccc1 36714069 WCODXRNRFUYFSS-UHFFFAOYSA-N 446.978 5.440 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2nc(-c3ccccn3)cs2)cs1 40032374 MRKZTZJXTVZCOU-MDZDMXLPSA-N 434.546 5.201 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c1 44916034 UCIRIDQWKSQHAG-JOCHJYFZSA-N 429.004 5.088 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005487 BWSQBULMKSCWCE-UHFFFAOYSA-N 439.357 5.316 0 40 IKAB COC(=O)c1cc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)cc(C)c1C 58425144 NQVWEYMIJJJZBI-UHFFFAOYSA-N 433.291 5.613 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4ccccc4C)no3)c3ccccc3c2=O)c1 64950117 XIUCBHGQEWXCDQ-UHFFFAOYSA-N 426.501 5.133 0 40 IKAB COc1cc(NC(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)cc(OC)c1OC 72044671 NKFQEFCTFIPYHK-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB C[C@H](NC(=O)COc1cccc(-c2nc(-c3ccccc3)no2)c1)c1ccc(Cl)cc1 72242811 FOMFRJHBISUCCZ-INIZCTEOSA-N 433.895 5.313 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@@H]2CCCCN2Cc2ccc3nccnc3c2)n1 72377125 RRIDFCXZYPEJKQ-QFIPXVFZSA-N 430.943 5.050 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 100914564 FWPXXWJCAFWHHE-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB Cc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 101161587 UMZFKDLJITZBCJ-GSDHBNRESA-N 434.495 5.199 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(F)cc1 102481044 CUXOBOVWMVSPFU-NGOKVRLYSA-N 440.518 6.786 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccccc1Cl)CCC2 103104453 AQGXWYOXKIROAR-SDXDJHTJSA-N 447.962 6.537 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 106683131 IADSPRWAYGZINU-STZFKDTASA-N 445.968 6.154 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Br)c2)cc1OC 107685616 WYUFGOHJVNCFFC-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@H]3C=C[C@H]2C1 118936186 XGGXCIMQFOVACT-LEKDBJHXSA-N 442.728 8.061 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 222717863 PCKVHZCORDNVGT-UHFFFAOYSA-N 448.440 7.158 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 223756052 AZHIIVNTCHMYNQ-DQEYMECFSA-N 446.620 5.801 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223903417 ZKFQDAVHELNBNY-VGOFRKELSA-N 449.422 5.648 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224018743 WHZSHFXFOPGEIU-UHFFFAOYSA-N 449.359 5.609 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)cc1C 224111155 IZOVPJJKTJTQFT-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224126019 PDORMHRSACCIDI-SANMLTNESA-N 428.576 5.152 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1Cl 224140889 NWPKPDJPPKRDPS-HNNXBMFYSA-N 430.331 6.072 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)[nH]1 224688984 BZUBPUASDUAURV-LOSJGSFVSA-N 440.572 5.996 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3ccc(C)o3)cc2)cc1 224692257 VPXCYDXQQMPJND-DQEYMECFSA-N 441.556 6.261 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2sccc2C)ccc1Br 224918154 JOVROTAAZXLZKC-MSOLQXFVSA-N 444.423 5.700 0 40 IKAB O=C(O)[C@@H](Cc1ccccc1Sc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225131229 DHZNPKAQJJLIIZ-RUZDIDTESA-N 426.537 6.580 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)/C(=C/c3ccccc3Cl)c3ccccc3)ccc21 225132433 XWPHTTFZCQDTPA-XSFVSMFZSA-N 448.975 6.477 0 40 IKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1ccc(Cl)cc1Cl 225338562 IIRBHVJTZJHRAO-UHFFFAOYSA-N 440.355 6.360 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225555565 ZOEUYZGYIGLWPW-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CC(C)CSc1nnc(NC(=O)COc2ccc(C(C)C)cc2Br)s1 225626253 LWKPXFHMCKETLL-UHFFFAOYSA-N 444.420 5.190 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1OCC(C)C 225681751 ZRPRSLQORRBEGI-UHFFFAOYSA-N 427.516 5.488 0 40 IKAB NC(=O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12 226766554 YISGXSCFNGDLJP-UHFFFAOYSA-N 443.684 5.105 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@]2(C)C1 253617577 WPHICUIXBCASRI-PJGFEEEFSA-N 434.617 5.034 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cccc3cnccc23)C1 257202339 ALIUOCKYNDKXMI-OAQYLSRUSA-N 437.543 5.310 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C[C@@H]2C=CCC2)CC1 257335712 YLNFWUWCXAZPFT-HSZRJFAPSA-N 444.619 5.306 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3nc4ccccc4s3)N21 260769160 KGVHHYQGTAGNLT-NQERJWCQSA-N 431.590 5.461 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)Sc1nc2ccccc2[nH]1 408632333 DMJBHAJWXNEONF-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1C 408645467 UVQXNYJLKDVYGB-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)c1 408695691 SECVIWGXPHEINH-UHFFFAOYSA-N 446.510 6.287 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)cc1 408698030 LGAQBUGQXRVGLX-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1sc2nc(-c3ccc(OCc4ccc(Br)cc4)cc3)nc(O)c2c1C 408734131 DIHOHAFIZPIKKL-UHFFFAOYSA-N 441.350 6.022 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408975033 IWUPTCZMJOGEMU-UHFFFAOYSA-N 449.491 5.502 0 40 IKAB CCCOc1c(I)cc(CNc2ccccc2CC)cc1OCC 409117454 REACIZAVYWZMRC-UHFFFAOYSA-N 439.337 5.653 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 409171562 DPNNIAWOPXACRP-MHZLTWQESA-N 444.600 5.681 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3OC)nnc2-c2ccccc2)cc1 409202645 SJZPEUFVJCQOHS-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB Cc1ccc(-c2n[nH]c(O)c2C(c2ccccc2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409368989 WLUXQJKOJRGIIE-UHFFFAOYSA-N 436.515 5.675 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575619107 GSCVHISDJMWVLL-UHFFFAOYSA-N 448.979 6.224 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3n2)cc1 848658 PEWGYEDHRYSKRQ-UHFFFAOYSA-N 444.844 5.938 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCCc2ccccc21 904361 OEYNWYAFNXUMOQ-UHFFFAOYSA-N 444.535 5.145 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1Cc1ccco1 915791 QSACDHHDXFGDMG-QGZVFWFLSA-N 448.548 5.023 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919579 QYUVWDDMYYQMPU-VQIMIIECSA-N 426.398 5.542 0 40 IKAB Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4cccs4)cc3)c3ccccc23)cc1 1094802 ASXIKFWVHATRDB-UHFFFAOYSA-N 437.524 6.711 0 40 IKAB O=C(Nc1ccccc1Br)c1cc2sccc2n1Cc1ccc(F)cc1 1324263 BKMLWOCUOVLBOJ-UHFFFAOYSA-N 429.314 5.905 0 40 IKAB COc1cc(NC(=O)c2cccs2)c(OC)cc1NC(=O)Nc1cccc(Cl)c1 1324431 RFXXDJCAYYRACL-UHFFFAOYSA-N 431.901 5.315 0 40 IKAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)n2)cc1 1362592 RRUBLDRWPJNJQK-HSZRJFAPSA-N 439.515 5.432 0 40 IKAB CC(C)OC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771704 JQXDWCYTZWMYPY-SFHVURJKSA-N 444.483 5.971 0 40 IKAB CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1cccc(C(F)(F)F)c1 1778631 GZLXKPRCFBPFLO-UHFFFAOYSA-N 439.231 5.936 0 40 IKAB CCCOc1cccc(-c2cc(C(=O)Nc3cccc(C(=O)OC)c3)c3ccccc3n2)c1 2088637 BGZMCACCEOSXKP-UHFFFAOYSA-N 440.499 5.730 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 2199697 IFEQCDNOAPRHOE-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 2343638 KYCDNNVSLKTUGQ-GOSISDBHSA-N 427.243 5.146 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 2406487 AHTBHIBBFDTPNO-QFIPXVFZSA-N 437.561 5.184 0 40 IKAB COc1cc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc(OC)c1OC 2436092 WPVPAGJUOPBMCZ-UHFFFAOYSA-N 437.883 5.161 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2704200 FIVCGPWENNEYAH-HXUWFJFHSA-N 432.501 5.178 0 40 IKAB O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccccc1 2742424 INCLYXILDPGFNY-UHFFFAOYSA-N 449.967 5.264 0 40 IKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12)N1CCCC[C@H]1CO 3242531 YJXGYGSHACKYBA-ZDUSSCGKSA-N 449.765 5.849 0 40 IKAB Cc1noc(C)c1CSc1nnc(-c2ccc(Br)cc2)n1C1CCCCC1 3310591 BXYRNJOIFGGWCN-UHFFFAOYSA-N 447.402 6.110 0 40 IKAB C[C@H](OC(=O)CSC(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 3333099 NNVKXEAGBDSWBB-KRWDZBQOSA-N 430.529 5.050 0 40 IKAB C[C@H]1CCc2c(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)csc2C1 3354654 SRUANSKLEYUNRI-IBGZPJMESA-N 433.573 5.259 0 40 IKAB Cc1c(-c2cc(Br)ccc2Cl)oc2ccc(Br)cc2c1=O 3378181 LRQOKQLRZHSEER-UHFFFAOYSA-N 428.507 5.947 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109782 AHCLLRIAZGTODF-UHFFFAOYSA-N 443.263 5.329 0 40 IKAB CSc1ccc(-c2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(C(=O)Nc3cccc(F)c3)C2)cc1 4237204 UYJLMXGBJZFBPC-FUHWJXTLSA-N 449.551 5.028 0 40 IKAB biogenic,in-vitro C[C@@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 4946194 UTXNYGUZJLLOSP-DUZURKDPSA-N 430.180 5.134 0 40 IKAB O=C(CCC1CCCCC1)Nc1cc(NC(=O)CCC2CCCCC2)cc(C(=O)O)c1 5749190 IOZVQPXNZAOEOR-UHFFFAOYSA-N 428.573 5.983 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccc(C)o3)C[C@@H]21 8717751 ZITJOLGPJCQEJR-QHCPKHFHSA-N 443.547 5.132 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(C(F)(F)F)cc2)cc1 8733502 RPSOCBZAVRISNP-UHFFFAOYSA-N 432.829 6.013 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1Cl 8735770 TWAQOTYUHWCICZ-OAHLLOKOSA-N 444.988 5.666 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8758281 PZTFLEYFNXELGS-IBGZPJMESA-N 429.495 5.083 0 40 IKAB Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)N(Cc2ccco2)C3=O)c1 8845257 DELIXPQEJZCUSI-VWLOTQADSA-N 427.504 5.553 0 40 IKAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1nc(-c2ccccc2Cl)no1 8942715 CTIOLORVDQHHPO-UHFFFAOYSA-N 448.335 5.043 0 40 IKAB C[C@H]1C[C@@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 9130168 SYCJJBDJESXAPU-PGRDOPGGSA-N 442.540 6.168 0 40 IKAB Cc1ccc2c(C)c(C(=O)N(Cc3ccc(C(C)C)cc3)[C@H]3CCS(=O)(=O)C3)oc2c1 9191110 CELYEUUUKRADGL-NRFANRHFSA-N 439.577 5.003 0 40 IKAB CSCC[C@@H](Nc1ncnc2sc(-c3ccccc3)cc12)c1nnc2ccccn12 9530650 IOVZYJIHAQZKOP-QGZVFWFLSA-N 432.578 5.307 0 40 IKAB CCCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607000 FYQKXCAQWNFLNO-UHFFFAOYSA-N 449.620 7.315 0 40 IKAB CC[C@H](CO)n1c(SCc2csc(-c3ccc(C)cc3)n2)nc2ccccc2c1=O 9632804 PWTSGDAAMRUHSU-GOSISDBHSA-N 437.590 5.064 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)cc1 9707759 VSAULIZPPYKTPT-UHFFFAOYSA-N 447.390 5.224 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4=O)cc3)cc(-c3ccccc3)nc21 9712721 BKTZIYDMMQLTBM-UHFFFAOYSA-N 439.519 5.058 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 9924840 UVGWTXTUGNZBRZ-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1cccc(Cl)c1Cl)CCCN4CCC3 9969172 BIAHMJBZKHWCDV-UHFFFAOYSA-N 428.319 5.170 0 40 IKAB CC(C)c1ccc2oc(-c3cc(NC(=O)c4ccc5c(c4)OCCO5)ccc3Cl)nc2c1 9972148 LMTIWGQIDOIBIF-UHFFFAOYSA-N 448.906 6.295 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 10314529 RWNCRKIZHAOWKK-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB COc1ccc(-c2[nH]c3ncccc3c2CN2CCC(O)(c3ccccc3C)CC2)cc1 12144243 QZQONYVIONXYGA-UHFFFAOYSA-N 427.548 5.031 0 40 IKAB COc1ccc(-n2c(SCC(=O)OC3CCCCC3)nnc2C2CCCCC2)cc1 12492068 ZGKPKYWCLNQSEE-UHFFFAOYSA-N 429.586 5.292 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)N3CCc4ccccc43)nc3ccccc32)cc1 12538130 BDUWUTCBGOUMLD-UHFFFAOYSA-N 429.545 5.106 0 40 IKAB CCOc1ccc([C@H]2CCCN2Cc2cc(=O)oc3cc(Br)ccc23)cc1 12758571 VKGCMIGCTQKSNJ-HXUWFJFHSA-N 428.326 5.291 0 40 IKAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)CNC(c2ccccc2)c2ccccc2)cs1 12912223 HNDRGTKQIJZJKV-UHFFFAOYSA-N 439.584 5.387 0 40 IKAB COc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498387 YOVSSURQEFCQPQ-RUZDIDTESA-N 448.588 5.133 0 40 IKAB Cc1ccccc1NC(=O)Cn1c(C(=O)OC(C)C)cc2c1ccn2-c1ccc(F)cc1 13565016 VGDDAMZGJQGSLP-UHFFFAOYSA-N 433.483 5.083 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(C)c1 13568363 SUWWDQRQRMQOMF-UHFFFAOYSA-N 428.001 5.659 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(Cl)ccc1N1CCOCC1 14049017 AWGWJZMQXDEWCQ-UHFFFAOYSA-N 446.334 5.056 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1c(F)cccc1Cl 16196278 VBJDUIFDWQQLIT-UHFFFAOYSA-N 429.963 6.125 0 40 IKAB COc1ccc(N2N=C(C(C)=O)S[C@@]23c2ccccc2C(C)=NN3c2ccccc2)cc1 16607918 UUIYECPGXONYIZ-RUZDIDTESA-N 442.544 5.206 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)c(F)c1F 17098751 CRDCAJYHUWVDFV-UHFFFAOYSA-N 434.320 5.451 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)cc3F)o2)cc1Cl 17099200 NZCLNBKHLSJQMV-RMKNXTFCSA-N 434.692 6.462 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cccc3c(Cl)cccc23)c1)c1cccc(Cl)c1 17099404 CJSNAXVAJDHBBW-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB CCn1ncc(Cl)c1C(=O)NC1CCN(C[C@H](c2ccccc2)C2CCCCC2)CC1 19523995 IQGDOQGHZUEBCB-JOCHJYFZSA-N 443.035 5.115 0 40 IKAB CCCc1ncc(-c2cc(C)no2)c([C@@H]2CCCCN2C(=O)Cc2ccc(OCC)cc2)n1 19525544 ULCMEPRHFWJQIU-QFIPXVFZSA-N 448.567 5.088 0 40 IKAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)c3cc(-c4ccc(F)cc4)n[nH]3)c2)C1 19712233 WVIMOYOEWDMDMA-QPPBQGQZSA-N 436.531 5.030 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 20448470 GANGVPDHWUNMCZ-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB CCC[C@H](OC(=O)NCCCCNC(=O)O[C@@H](CCC)c1ccccc1)c1ccccc1 21965978 APQQRIFXVFPSKE-ZEQRLZLVSA-N 440.584 6.302 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072569 VLQXWAOKSTZDIB-UHFFFAOYSA-N 427.118 6.691 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255700 AKROUNOHGWXMGA-GMAHTHKFSA-N 446.595 5.397 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 23193557 XSBPSLHXSBFPQO-CRICUBBOSA-N 448.950 5.392 0 40 IKAB O=C1CN(C(=O)c2ccccc2Cl)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048081 XORPJUFMUJEMJT-NRFANRHFSA-N 429.278 5.316 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3nc4ccccc4n3C(F)F)c12 32753520 QQLHLENCOJRZPL-UHFFFAOYSA-N 447.445 5.215 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3cccs3)cc2s1)Nc1ccccc1F 33000522 UAMDBVAWIRQBLW-UHFFFAOYSA-N 443.550 5.480 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 33569127 QPYIJOXHZNDIIG-CRAIPNDOSA-N 446.305 6.333 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1Cl 33570980 RVTAHECXXXDXRS-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OCc1ccccc1 33600902 DLMYNPCJDLAIIU-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 33712898 MCMCHPQIQKPIKU-XTEPFMGCSA-N 436.942 7.249 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/SC(Nc4ccc(Cl)cc4)=NC3=O)cc2)cc1 35644988 FAUNSQFAFQOIQS-HYARGMPZSA-N 434.948 6.310 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)cc1 44844377 AUARUZZMMQWDNJ-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5cc(Cl)ccc5C)CC4)[C@H]3C=C12 61992799 SDFFXZBPKQGUHN-LXRCUPKFSA-N 441.015 5.005 0 40 IKAB biogenic Cc1nc2c3ccccc3nc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2n1 71818164 JWJFQJCBMQDZFY-OAQYLSRUSA-N 443.507 5.197 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCCC1 72215589 KXFUMLGRZSUDOC-XMMPIXPASA-N 435.612 6.493 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1)C1CCCCC1 72215671 KXOBNANCGZVSSZ-DEOSSOPVSA-N 435.612 6.493 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100660871 GNFWESXQFQMADC-CGHAAGRGSA-N 440.370 5.668 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)c1 102706572 VCKMBHWNGBOGEH-UODIDJSMSA-N 434.495 5.199 0 40 IKAB O=C1[C@H]2[C@@H](c3ccc(F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1ccc2ccccc2c1 102735942 IZRGMSVRVHAMNO-ISJGIBHGSA-N 438.458 5.030 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 102736179 SALBNUSWSPILRS-HKBOAZHASA-N 439.298 5.045 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 107027622 AIYJKSMRCAMILH-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB Cc1ccccc1CSc1nc2n(n1)[C@H](CC(C)C)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 107173590 ZCKMQPYCNDOJTK-STZQEDGTSA-N 449.624 5.535 0 40 IKAB Cc1ccccc1CSc1nc2n(n1)[C@@H](CC(C)C)[C@H](C(=O)Nc1ccccc1)[C@@H](C)N2 107173592 ZCKMQPYCNDOJTK-BVYCBKJFSA-N 449.624 5.535 0 40 IKAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1cccc(Cl)c1 108062704 GOPGLMYUFJMGAC-UHFFFAOYSA-N 440.790 5.461 0 40 IKAB CC[C@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118928238 WAIQWYALYSCYLA-LNTDUCCXSA-N 426.729 8.455 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 215178952 UECJKZJRTMPYFF-QOJWJBQSSA-N 445.924 5.483 0 40 IKAB CCC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc45)c(N)c3cc2C1 215674303 OKLHJXLNDNNSBL-MRXNPFEDSA-N 444.604 6.220 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 216373828 PJYNDYBPFOHBEK-INIZCTEOSA-N 426.409 5.736 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 222549703 DIAXIYXSHRIPIH-FDDCHVKYSA-N 445.003 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222557301 JXJZKRYFOYUPKR-OAQYLSRUSA-N 433.017 5.154 0 40 IKAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC 222661594 UIVBBVXNWZSUCK-YSGRDPCXSA-N 431.989 5.512 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 222908740 SGYILCQENKRYDU-SFHVURJKSA-N 437.321 5.385 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 223180201 DHJVGLGIVHKSKL-NRFANRHFSA-N 447.044 5.463 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 223532399 LQNKQGVAASRQPD-DNQXCXABSA-N 431.609 5.183 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223910388 NDUAWNBYTCVVLG-DQEYMECFSA-N 440.572 5.585 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224019773 AQRFVUNZKYFZRK-GOSISDBHSA-N 447.044 5.463 0 40 IKAB Cc1ccc(C(=O)NCCC2=CCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052503 POHPVCMGCLSPPJ-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1c1ccccc1 224158337 MVMAJNLYHKQXGQ-GOTSBHOMSA-N 430.964 5.703 0 40 IKAB CN(c1cccc(C(=O)Nc2ccccc2Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 224267809 MRFXVWFWXYHWAU-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1C 224373223 OBGLHFRPABPBBA-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224389135 SBOOTRZMEBFHOQ-IAGOWNOFSA-N 434.359 5.222 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 224396796 TYPMGZOYZOPEGN-BJKOFHAPSA-N 434.584 5.931 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(C(C)(C)C)cc1 224520200 VMJAEKGPFHCJHQ-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 224576310 HMGRDHNVIMXSKN-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224594190 AGGVKXHYOROZDD-JOCHJYFZSA-N 447.044 5.320 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225001387 GEMVBAAZJXOQBN-XZOQPEGZSA-N 442.603 5.541 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225299709 VYAKUPYWQSNJOY-MSOLQXFVSA-N 449.422 5.566 0 40 IKAB CC(C)C[C@]1(O)CCN(C(=O)c2cc3cc(Cl)ccc3[nH]2)C[C@@H]1Oc1ccc(F)cc1 257253981 KBBVBYLKBGDAGZ-LADGPHEKSA-N 444.934 5.031 0 40 IKAB O=C(Cn1ccc(=NC(=O)c2ccccc2)c2ccccc21)c1ccc(Br)cc1 334157165 AMBXNKMSKOUVPR-UHFFFAOYSA-N 445.316 5.028 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccccc1 408564628 ZZAYIEWCCWETSY-LNVKXUELSA-N 429.383 5.693 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408641732 MKHGEGYPBRTIEK-HNNXBMFYSA-N 438.877 5.475 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1ccc(C)c(Cl)c1 408670372 ZRVSGOHYCPXTAT-UHFFFAOYSA-N 444.959 5.064 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cc(C)ccc2C)cc1 408697591 IHMQVVUAMITZKS-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)cc1 408699003 QUMPCMCHRDFXQM-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)c1 408705905 QADMZCSUTRFSRH-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1Cl 409115444 MHEFTUYTLJNFCI-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)c1ccc(Br)cc1 409218831 HMOAZBMXEOGOJI-CXUHLZMHSA-N 436.714 5.022 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 409345163 KCDRJHCIYXASJX-UHFFFAOYSA-N 440.956 5.736 0 40 IKAB CCCN1CCCCN(C(=O)C(CC)CC)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643562458 VRKRRXCJNCYIBW-VWNXMTODSA-N 428.617 5.287 0 40 IKAB CCOc1ccc(-c2nn3c(CSCc4ccccc4)nnc3s2)cc1OCC 1501039882 GGLDWMBDDXRIQN-UHFFFAOYSA-N 426.567 5.084 0 40 IKAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(-c4nc5ccc(C)cc5s4)cc3)oc12 652890 JSZISESCZNCGAM-PNHLSOANSA-N 441.512 5.358 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)C1CCCCC1 673941 AMBGVFFJXMZQSY-GXTWGEPZSA-N 446.926 5.663 0 40 IKAB O=C(CSc1nnc(-c2cccc(F)c2)o1)N1c2ccccc2Sc2ccccc21 780974 IANYHVPLUFUUGN-UHFFFAOYSA-N 435.505 5.797 0 40 IKAB CN(C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)C1CCCCC1 890856 VLLMOOMMQMHFJK-UHFFFAOYSA-N 427.467 5.185 0 40 IKAB CCOc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 901208 CAKXWFORLPICJQ-AWEZNQCLSA-N 447.482 5.680 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc2c1 1371401 OCWUGDIBGCZWFP-LJQANCHMSA-N 439.943 5.011 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Br)ccc1Cl 1517888 PHZMFEWKKLVSSX-UHFFFAOYSA-N 440.728 6.207 0 40 IKAB Clc1ccc(/C=C/C=N/c2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)cc1 2051963 OCAIBBVBNONNEU-ZOMGDLOTSA-N 427.718 7.871 0 40 IKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1ccc(Cl)cc1Cl 2095645 PUBTUVADUXWPES-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB biogenic CCc1c(C)c2ccc(OCC(=O)Nc3ccc(Oc4ccccc4)cc3)cc2oc1=O 2319178 DMBYWIGYJWETCW-UHFFFAOYSA-N 429.472 5.474 0 40 IKAB Cc1cccc(-n2c(SCCC(C)C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1 2356593 NPIHTUPDPYJETQ-UHFFFAOYSA-N 444.644 6.714 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2405139 CCUKGXFLULDRAV-FQEVSTJZSA-N 437.904 5.507 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)cc1 2432507 QZWOKBJRLKRFNQ-VWLOTQADSA-N 439.511 5.206 0 40 IKAB CCn1c(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)nnc1-c1cccs1 2642531 ODJZGAXXHDKYLS-UHFFFAOYSA-N 442.635 5.530 0 40 IKAB Fc1ccccc1Nc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3304489 NVQTZVQZTHFXPP-UHFFFAOYSA-N 441.984 7.008 0 40 IKAB c1ccc(C2=N[C@](CCN3CCCCC3)(c3ccccc3)S[C@H]2CN2CCCCC2)cc1 5496355 SMXZOBMDDWDWME-XCZPVHLTSA-N 447.692 5.806 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 6753176 AVWMXUJDFQVROP-FPOVZHCZSA-N 425.532 5.565 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8759642 OVTDBRDJLZAYPV-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8828195 WSEWJMGWRSOPJD-MRXNPFEDSA-N 449.913 5.406 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3OC)oc3c(C)cccc3c2=O)cc1OC 8972144 SBOFPQQCXJUTGB-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 9041353 QCMNZZNVOOTKIY-AHKZPQOWSA-N 444.531 5.733 0 40 IKAB CC[C@H](c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C 9056365 OYNSRXLWKZWCDD-WZONZLPQSA-N 448.636 5.191 0 40 IKAB Cc1ccccc1-c1nc2c(c(SCc3ccncc3)n1)Cc1c(CO)cnc(C)c1O2 9116423 OXFSKISPOIGWMC-UHFFFAOYSA-N 442.544 5.032 0 40 IKAB C/C(=C\c1ccccc1)[C@]1(C(=O)Nc2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1C 9129677 CILWHKZGNONVLU-HXDOWBTDSA-N 438.571 6.138 0 40 IKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccc(F)cc3)cc2O)n[nH]c1C 9130271 MLUUYKJFUJYTLZ-UHFFFAOYSA-N 434.467 6.000 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9198283 QHLWUFKTSMMZFO-UHFFFAOYSA-N 427.576 5.606 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 9225201 PVGNHLSZDKOIGN-NIYFSFCBSA-N 442.946 6.213 0 40 IKAB Cc1ccccc1Nc1nc(Nc2ccccc2C)nc(Sc2nc3ccccc3[nH]2)n1 9327428 DAYWZBCRUWICGN-UHFFFAOYSA-N 439.548 6.003 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1c(F)cccc1F 9347247 JBIZBGDBPZKZIU-UHFFFAOYSA-N 449.482 5.942 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N[C@H](Cc1ccccc1)c1ccccc1 9349361 QTXVWELSEQXJSL-OAQYLSRUSA-N 433.508 5.068 0 40 IKAB Cc1ccc(-c2csc(NC(=O)CSc3nc(O)cc(-c4ccccc4)n3)n2)cc1 9380146 HFPWOBRGXLQVBE-UHFFFAOYSA-N 434.546 5.012 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)c(C)c1 9394442 QFBMPBFAKICIPT-UHFFFAOYSA-N 442.628 6.963 0 40 IKAB COc1cc([C@H]2CC(=O)N(Cc3ccccc3)c3ccccc3S2)cc(OC)c1OC 9414580 VCWCWAHLCYEGIN-HSZRJFAPSA-N 435.545 5.483 0 40 IKAB COc1c(C(=O)Nc2ccccc2Br)cc2ccccc2c1Br 9427035 XFHZEVPHPSCBTR-UHFFFAOYSA-N 435.115 5.626 0 40 IKAB Cc1ccc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c(C)c1 9892737 YKLNJVUHJHPCFH-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c(C)c1 10112101 IXRLZERYODKZBC-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)cc(C)c1 12414873 IPICZEGONBNCRY-UHFFFAOYSA-N 429.563 5.318 0 40 IKAB CC(C)c1ccc(-c2noc(C3CCN(S(=O)(=O)c4ccc(Cl)cc4)CC3)n2)cc1 12415241 BTIMUHMKMNGSQJ-UHFFFAOYSA-N 445.972 5.082 0 40 IKAB Cc1cccc(-c2nc(CC(=O)Nc3nc(C)c(-c4nccn4C(F)F)s3)cs2)c1 12628397 PZPWEHJUUZUJMF-UHFFFAOYSA-N 445.520 5.323 0 40 IKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc2ccccc2c1 12651116 UKHUQSHARFLSMI-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB O=C([C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1)N1CCCC1 13113369 WCOFZMKTUOMGPX-JOCHJYFZSA-N 444.560 5.042 0 40 IKAB Cc1nnc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n1C1CCCCC1 13115731 QBPMWFVOYYIREJ-DEOSSOPVSA-N 430.577 6.289 0 40 IKAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(C4CC4)n3Cc3ccccc3)o2)cc1 13116964 RETDXMIIAJPRKN-OAHLLOKOSA-N 433.537 5.116 0 40 IKAB O=C(NCc1ccccc1)c1ccc(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 13304722 YYHSAHNYTUJYIX-UHFFFAOYSA-N 443.524 5.242 0 40 IKAB Cc1nc(Nc2cccc(C(F)(F)F)c2)nc2c1nnn2-c1cccc(C(F)(F)F)c1 13364749 BGKUCNFAQUAXAU-UHFFFAOYSA-N 438.335 5.300 0 40 IKAB COc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)cc1 13499939 ATDZVXAZZGEZTB-UHFFFAOYSA-N 441.622 6.095 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCc4ccccc4F)n12)CC(C)(C)OC3 13555480 AEPSJJOONHROFC-UHFFFAOYSA-N 446.598 5.344 0 40 IKAB CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2cccc(C)c2)c2ccccc21 13659016 LDCDDMIFSYZCDL-SANMLTNESA-N 440.572 5.896 0 40 IKAB O=C(NCC12CC3CC(C1)CC(CNC(=O)Nc1ccccc1)(C3)C2)Nc1ccccc1 13757269 BWFTVUPXYHTCBT-UHFFFAOYSA-N 432.568 5.216 0 40 IKAB CCCOc1c(Br)cc(Br)cc1/C=C1\C(=O)Nc2ccccc21 13915525 YODXZGPQWXXCMF-ZROIWOOFSA-N 437.131 5.493 0 40 IKAB CCCCN(C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O)c1ccccc1 15883346 WZESUOJTHZDXEC-UHFFFAOYSA-N 429.495 5.031 0 40 IKAB O=C(O[C@H]1CCCCC1=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 15910366 CLADUDXZDRDGAB-GGJDQLKOSA-N 431.919 6.044 0 40 IKAB Cc1ccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)cc1Cl 16346942 KRNFJXMYKGPFTH-UHFFFAOYSA-N 449.779 7.029 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)c1 16609883 VSVOXZHMEORVKO-QPJJXVBHSA-N 427.715 5.656 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 17095203 VIAQJPWMHIGVPF-UHFFFAOYSA-N 426.925 5.576 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 19683206 KELZNQUFXXKEPZ-UHFFFAOYSA-N 448.979 5.343 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 20144970 DQDDNMPMZPWFJG-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB CSc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C(F)(F)F)n1 20404978 RNYAHHYIXPQRTJ-UHFFFAOYSA-N 444.526 5.129 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20494844 YQMGSFDCGBEPMN-QFIPXVFZSA-N 448.415 6.354 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(=O)c2cc(Cl)ccc21 22234972 OVEAZUPONAATSD-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB COc1ccc(CCNS(=O)(=O)c2c(C(C)C)cc(C(C)C)cc2C(C)C)cc1OC 22257938 CDRHISANKNUWDD-UHFFFAOYSA-N 447.641 5.595 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCn4c3nc3ccccc34)cc12 24983215 SLZOJAADXSKARM-UHFFFAOYSA-N 447.951 5.118 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1SC[C@H]1CCCO1 30013283 AZLIDYZXWDAKEH-LJQANCHMSA-N 447.604 5.749 0 40 IKAB Cc1nc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)sc1C(=O)O 33777342 FUBCIUTVAFXUQW-KNHMENAISA-N 429.545 5.951 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 35823982 OZMKOAJSAFGHAK-XOUADPBQSA-N 440.897 5.600 0 40 IKAB CC[C@@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@@H](CC)N(C)CC4)c(OC)cc2CCN1C 36490799 BOXBKGGQZPGMRE-WOJBJXKFSA-N 440.584 5.080 0 40 IKAB biogenic O=C(COc1ccc2ccccc2c1Br)NCc1ccc(Cl)cc1Cl 44836754 YRVFNLIXJCGEME-UHFFFAOYSA-N 439.136 5.604 0 40 IKAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)Cc1csc(COc2ccc(Cl)cc2)n1 58162220 OCEKVGDQLMPWIP-ZDUSSCGKSA-N 436.911 5.416 0 40 IKAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 59294338 XMUQKOJJFATNHG-UHFFFAOYSA-N 426.712 5.429 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1 59477608 YMWOBGORJBOOFG-DTQAZKPQSA-N 436.467 6.415 0 40 IKAB CCOc1cc(C(=O)NC2CCN(CC3CCCC3)CC2)cc(-c2ccccc2)c1OC 63272399 CVLUTAGMERGWRL-UHFFFAOYSA-N 436.596 5.145 0 40 IKAB COc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)cc1 67341666 HJLYJSILEPHZJZ-UHFFFAOYSA-N 427.327 5.137 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215007 YEYSREHBYLNWCQ-LJQANCHMSA-N 433.593 6.085 0 40 IKAB CC1=C[C@@H](CNC(=O)NC2CCCCC2)[C@H](C(C)C)C[C@H]1Cc1nc2ccc(C)cc2[nH]1 72320851 ODQIWTBKXZKJEX-FUDKSRODSA-N 436.644 5.900 0 40 IKAB biogenic,in-vitro Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 72354024 VXUAPGKWALFUDF-HXUWFJFHSA-N 448.998 5.256 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96146557 AQPULBMNYKQPFG-UHFFFAOYSA-N 441.922 5.691 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc4ccccc34)C2=O)cc1C 102706632 DJOYRLBCLJOQFF-GMQQYTKMSA-N 448.522 5.508 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)cc1OC 102878255 TVTRBAXBXFBBBM-RUZDIDTESA-N 434.536 5.906 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)cc3)sc2c1 102971965 ZTPBCHLRBHJYTD-UQBPGWFLSA-N 435.662 6.869 0 40 IKAB Cc1nn2c(=O)cc(CSc3nc4ccccc4s3)[nH]c2c1-c1ccc(Cl)cc1 105330061 HPFDTGJICZKBBE-UHFFFAOYSA-N 438.965 5.553 0 40 IKAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 108025834 CYVJVHWMJCJVLO-CZUORRHYSA-N 432.977 5.152 0 40 IKAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@@H](c2ccccc2Cl)CC1 206994990 KEKQUBHFGUEPMH-OAQYLSRUSA-N 429.948 5.200 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222826045 SDTNTNDZCHTRCV-ZDUSSCGKSA-N 427.759 5.090 0 40 IKAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223065305 QNULSBYUWUCDBN-HHHXNRCGSA-N 442.603 5.032 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223316495 DZAWDFZBIKDZLR-GOSISDBHSA-N 449.422 5.486 0 40 IKAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)C1 223983891 GXZGVVKSYYVIMS-OALUTQOASA-N 440.632 5.501 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccc(C(C)C)cc1 224044846 JGZDVTRAKGNRQR-BWAHOGKJSA-N 446.616 5.700 0 40 IKAB CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1C 224063369 KEXOUHLUHBFEII-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224097725 CDISSKRLMLNIRE-JOCHJYFZSA-N 448.651 5.435 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1OC 224241935 VUJLGUAIPJNKEY-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)c1 224246706 SPGBZTIAACPXNP-RPWUZVMVSA-N 443.597 6.311 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 224614079 JOOWHIQFSJJNCW-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)cc1C(C)C 225338539 GZVMQSKTZCAWMP-UHFFFAOYSA-N 432.767 5.344 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225602176 JGEOBRJLNPBMSH-XXBNENTESA-N 429.004 5.303 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225684377 VGBXTOPDKXJREG-IBGZPJMESA-N 425.554 5.307 0 40 IKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(I)cc2F)c1 228955530 UGDRZEBXXZEOJK-UHFFFAOYSA-N 428.245 5.207 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)Cc2cccc(F)c2)c(C(=O)O)c1 257241641 HYWPJSVOCGHEPR-UHFFFAOYSA-N 435.495 5.255 0 40 IKAB Cc1ccc2oc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5scnc5C)o4)CC3)cc2c1 257279560 OHFOYTRGWBJSJV-WKILWMFISA-N 436.537 5.260 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@]2(CO[C@@H](c3ccc(F)cc3)[C@H](C(C)C)C2)C1 257311336 UIZUMQFBXAHOHK-ZKMPZPQNSA-N 428.548 5.016 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@@H]1C/C(=C\c1cccc(Br)c1)[C@H]2O 257345109 NKLBOHZLKULONG-TZWBIVGTSA-N 443.469 7.236 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2ccc3ccccc3c2)c1 408724186 HHPXQOPCMMDHGC-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)c2ccccc21 409117835 OOVZZXVBDKMLLR-KQWNVCNZSA-N 448.360 6.325 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c1 409410293 MERJDDXJWJKFEO-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@]2(CCCN2Cc2ccc(F)cc2)CC1 585100389 LETASVTYCGFFBU-NDEPHWFRSA-N 447.598 5.677 0 40 IKAB CCCc1cnc(Nc2cc(C)nc(CC3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585263387 GOHQDSSATPUWAE-UHFFFAOYSA-N 441.645 5.299 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)[nH]c2c1 1848353252 NQARQCPUMYEKBQ-LJQANCHMSA-N 433.939 5.728 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC(Cc4cccc5ncccc45)CC3)CCOCC2)c1 1848355666 BVDFBXKGIIOXKE-UHFFFAOYSA-N 428.576 5.073 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cn2cc(Br)cn2)cc1 647361 DNVAVMKFCXIQOH-UHFFFAOYSA-N 425.113 5.253 0 40 IKAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)cc2Cl)cc1 664161 SISWSAIASVTTLD-UHFFFAOYSA-N 437.352 5.012 0 40 IKAB CCOC(=O)c1c(C)n(CCOc2c(C)cc(C)cc2C)c2c1cc(O)c1ccccc12 719874 GZFRUJHDPZSBJG-UHFFFAOYSA-N 431.532 5.989 0 40 IKAB COc1cc(-c2nnc(SCc3ccccc3)n2-c2ccccc2)cc(OC)c1OC 886513 YEQIAQDPTJFOCX-UHFFFAOYSA-N 433.533 5.252 0 40 IKAB CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc43)c2C1 944108 TWFRQDZRWMFNEJ-QGZVFWFLSA-N 433.573 6.538 0 40 IKAB CC(C)c1ccccc1Oc1coc2cc(OCC(=O)NC3CCCCC3)ccc2c1=O 956114 DGNGLAQBSFJKDY-UHFFFAOYSA-N 435.520 5.536 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccccc1Cl 1346491 KPFUNTHIFXTTJI-UHFFFAOYSA-N 437.956 5.071 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)NCc4cccs4)c23)C1 1377349 YJWOXFFQNASTRT-GFCCVEGCSA-N 429.636 5.164 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2)n1 1392257 HWFDRXOBISZWAO-UHFFFAOYSA-N 425.362 5.217 0 40 IKAB aggregator Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2095468 HUUCWWMARPJINZ-UHFFFAOYSA-N 445.931 6.832 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 2374946 HDHHGMYOPCSRJB-IRXDYDNUSA-N 430.552 5.872 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSC(=S)N4CCCCC4)cc3)sc2c1 2408502 HRNGXIZVHVDSKQ-UHFFFAOYSA-N 441.647 5.714 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1 2412345 HXJXPOSKQUDBND-INIZCTEOSA-N 444.299 5.010 0 40 IKAB CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@H]2c2ccc(F)cc2)CC1 2724697 NAEPYRHHQRJPOV-WKBCRJLYSA-N 440.534 5.832 0 40 IKAB Clc1ccccc1N[C@@H](c1ccc(Br)cc1)c1nnnn1C1CCCCC1 3176226 AXXNVXAPTGYZJQ-IBGZPJMESA-N 446.780 5.796 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 3190487 ZPMFOXYDBIWTPA-AYQSDIEASA-N 429.519 5.801 0 40 IKAB biogenic COc1cc(Br)cc2c1OC1(CCC(C)CC1)N1N=C(c3ccco3)C[C@@H]21 8717639 SEBAKERYNNEOBM-IBBFCSCYSA-N 431.330 5.501 0 40 IKAB Cc1nc(SCc2nnc(-c3ccccc3Br)o2)n(C2CCCC2)c1C 8724995 DUGMKSXULMIRTN-UHFFFAOYSA-N 433.375 5.720 0 40 IKAB Cc1csc(S[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 8825848 FFKJVIYWCOKZFJ-INIZCTEOSA-N 442.915 6.596 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O 8828141 SNCUBBQBOPILER-JOCHJYFZSA-N 447.538 5.767 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8836717 LXXJZTMDCOKJQF-AHWVRZQESA-N 432.951 6.761 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)cc1 8868770 GSYUQMKGEBRQCT-DEOSSOPVSA-N 449.547 5.332 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2cc(C)c(NS(=O)(=O)c3cccs3)cc12 8870418 GJNDJYDPTUXAIQ-UHFFFAOYSA-N 441.530 5.447 0 40 IKAB CSc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071754 GDUVBZUESPBXJI-UHFFFAOYSA-N 429.545 5.485 0 40 IKAB Fc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9499567 PFFNAZSUHQSING-VWLOTQADSA-N 427.523 5.362 0 40 IKAB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c1 9669834 POXMXMBHVAYNJH-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB COc1cc2nc(NCCC3=CCCCC3)n3nc(-c4ccccc4)nc3c2cc1OC 9831133 UYONTHIXYVJFTD-UHFFFAOYSA-N 429.524 5.264 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 10233039 FWXDBWAWIIHVMP-QGZVFWFLSA-N 443.311 5.615 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccccc1Br 10542824 URUWQGRPYSBBGO-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB CCOc1ccc(NC(=O)COc2ccccc2C(=O)Nc2cccc(SC)c2)cc1 12411898 PUGODGFLKWWEKF-UHFFFAOYSA-N 436.533 5.077 0 40 IKAB CCN(C(=O)COC(=O)C1c2ccccc2Oc2ccccc21)c1cccc2ccccc12 12617030 LHVDVZXMQGJQGH-UHFFFAOYSA-N 437.495 5.674 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3cccc(Cl)c3)cc(O)c2C(=O)O1 12863286 VICPTRLCPQKYPX-KQEHZQRSSA-N 442.939 6.106 0 40 IKAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 13138542 AKMGSUWPHWDUIN-OAHLLOKOSA-N 428.315 5.696 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)Nc1ccc(F)c(F)c1 13140997 YMGZRNVXZQBWPX-UHFFFAOYSA-N 437.880 5.614 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccccn1)c1cccc(F)c1 13502137 WAUVHKFKVWUMOW-XMMPIXPASA-N 449.501 5.197 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 13563251 PZZQAYBEEYXVLQ-OXQOHEQNSA-N 433.371 5.339 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(F)cc2F)cc1Cl 13609574 JJUAHPOXBFXJCM-UHFFFAOYSA-N 440.833 5.368 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13632344 ZESOWGPHLLIGAF-IBGZPJMESA-N 430.548 5.951 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 14272604 JDLMCSXFVQOEDE-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1 14272959 YXSCPBFURMPRTD-DHZHZOJOSA-N 443.374 7.060 0 40 IKAB Cc1cc(NC(=O)c2cccc(F)c2)n(-c2nc3ccccc3n2Cc2ccc(F)cc2)n1 14360453 QESNLVRLTIZVGY-UHFFFAOYSA-N 443.457 5.109 0 40 IKAB Cc1ccc(OCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c(Br)c1 15020693 UTWSSVYCVHPSMT-OAHLLOKOSA-N 445.382 5.152 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 15413045 ZXJHKGHPSCMZCD-NIVBKCCZSA-N 444.962 5.809 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)c1 16014770 FCJVDKHEFMEYAL-UHFFFAOYSA-N 439.943 5.392 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3cccs3)c(OC)c2)cc1OC 16227403 PXJJYCGWNCWGEG-UHFFFAOYSA-N 447.984 5.339 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Br 16347589 DFHUOOLHOILCQR-UHFFFAOYSA-N 436.309 5.562 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 17095926 IENYWXCJIAOMSM-SFHVURJKSA-N 428.532 7.049 0 40 IKAB COc1cc(NC(=O)c2ccc(C)c(Cl)c2)ccc1NC(=O)c1ccccc1Cl 17096308 CRVPBUYKWLRANA-UHFFFAOYSA-N 429.303 5.815 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4csc(C)c4C)C3)cc2n1 19522231 WRVBEZHIUGXFTA-CQSZACIVSA-N 436.503 5.009 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccccc1C 19643745 VOHDZEOUCMFADP-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB O=C(O)c1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 19645623 ZLYYBBHOSVFBJP-UHFFFAOYSA-N 447.288 5.615 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)c2c1 19690281 RVZYPCVQAGDASN-HXUWFJFHSA-N 428.511 5.016 0 40 IKAB O=C(O)COc1ccc(NC(=O)c2ccccc2Cl)cc1-c1nc2ccccc2s1 20158008 YUORXEQHBXNHOJ-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB CCc1ccc([C@H]2C(c3nc4ccccc4s3)=C(O)C(=O)N2c2nnc(C)s2)cc1 27021755 XKTGQHXMMAPHND-SFHVURJKSA-N 434.546 5.076 0 40 IKAB Cc1sc2c(c1C)c1nc(-c3ccco3)nn1c(=O)n2Cc1ccc(Cl)cc1Cl 32074744 AHLHVRPRYIXTHS-UHFFFAOYSA-N 445.331 5.338 0 40 IKAB CCc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 32951341 KNQZEPYJNKCUMB-UHFFFAOYSA-N 430.577 6.247 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccccc1 33392771 IEPDMQSPDKBPAP-CYBMUJFWSA-N 435.380 5.388 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)cc1Cl 33642549 UPZHCFHIEOVRAH-UHFFFAOYSA-N 436.408 6.600 0 40 IKAB COc1cc([C@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 33906693 HORBLPIYENOYJM-HUAOTEQFSA-N 449.591 5.432 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl 35550778 RVXLAJWXRNFIQJ-SUYBPPKGSA-N 431.754 5.263 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)n1Cc1ccccc1 40159131 JAOJVKSVNWBXAG-INIZCTEOSA-N 436.512 5.153 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(C)c(C)c4)cc3)cc(=O)n2o1 41089708 BOAWAPIAHJDEDA-UHFFFAOYSA-N 434.521 5.149 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1I 57313958 LHCZRYITCLRTEY-UHFFFAOYSA-N 437.321 5.385 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4C)nccn3n2)cc1 67290380 NQQPJFGSQNNSRZ-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)sc2c1CC[C@@H](C)C2 67339258 QAVSIVQRNFVZPS-FZKGZDJFSA-N 429.925 5.711 0 40 IKAB O=c1c2sccc2nc(SCc2cccc(F)c2)n1CCc1ccc(Cl)cc1 71327658 HFDCAWFAFALKOA-UHFFFAOYSA-N 430.957 5.786 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3)oc3c(sc4ccccc43)c2=O)cc1 101392780 YPOZMYZOIUNWRF-UHFFFAOYSA-N 427.481 5.936 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 102625315 DATGARPAGHMVFF-UUOWRZLLSA-N 440.503 5.219 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1C 102706635 DJOYRLBCLJOQFF-KWXIBIRDSA-N 448.522 5.508 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@@H](c3cccnc3)C2=C(O)C1 103869289 CRLAUYJCZQHXHD-MHZLTWQESA-N 437.543 6.117 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OCC(C)C 106733849 WTFHYGCXKOZQGQ-UKWGHVSLSA-N 449.931 5.759 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F 107028159 JCDKJBYBAOGPIP-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222655271 GUSXUISMCHTDKV-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222677497 YPOJMFXWCKNEPA-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109718 WEBQKYHPYCZXSJ-RPBOFIJWSA-N 446.620 5.576 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2c(F)cccc2Cl)CC1 223626106 BWSBQJWFQJPNTE-UHFFFAOYSA-N 440.946 5.040 0 40 IKAB CC(C)Oc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224035414 OBOMSLYKZCUGNV-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc2ccccc2c1 224318417 BMIFNEDSNUOORJ-UHFFFAOYSA-N 429.541 6.402 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224550131 ILTFJHUYIBNGPO-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 224779068 PAGSZAJKTHKUAO-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)c3cccc(OCc4ccccc4Cl)c3)s2)cc1 225373948 FDLXFWIJDHYIOQ-UHFFFAOYSA-N 435.936 5.998 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 225574038 SNHFYQUIZVFLIQ-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 225595441 VBBWSXGKDSCBMS-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1OCC(C)C 225683339 RZVCUDCRBMWUNL-UHFFFAOYSA-N 427.516 5.488 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cccc(OCc2ccccc2Cl)c1 225777736 YIBXAVBCYBXWQE-UHFFFAOYSA-N 445.971 7.323 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2c1cccc2C(F)(F)F 225827522 NKFLGTRHRBTGRY-UHFFFAOYSA-N 438.833 5.391 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)cc1C(F)(F)F 225955293 SJEANUOFJAKIHA-UHFFFAOYSA-N 439.477 6.168 0 40 IKAB CCN1c2cc(F)c(F)cc2N[C@@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@H]21 252428300 XJHWBHNGPXTZCD-GSYFSXNLSA-N 434.527 5.364 0 40 IKAB Nc1c(C(=O)Nc2cccc(Cl)c2)sc2nc(C(F)(F)F)c3c(c12)CCCC3 257173667 UQHPZZSZHPAHHM-UHFFFAOYSA-N 425.863 5.682 0 40 IKAB C[C@@H]1O[C@@H]2c3cc(-c4cccc(C(=O)O)c4)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccccc1 257258407 KTSPQTFTTHCZTJ-WDNUXJMTSA-N 428.528 6.473 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)o2)c1 257321770 WDECCRKBXGYXGR-IBGZPJMESA-N 429.520 5.084 0 40 IKAB COc1ccc2oc(=O)c(-c3nc(-c4ccccc4Cl)c4cc(Cl)ccc4n3)cc2c1 390829726 GDUZDPOBGWKGCR-UHFFFAOYSA-N 449.293 6.386 0 40 IKAB COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1c(Cl)cccc1Cl 408576739 QUDZONOMZONXPB-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 408613638 ZDRSDODPMABDSW-UHFFFAOYSA-N 438.301 6.861 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc(Cl)c1OC 408620241 LESUGMULRCOLNP-UHFFFAOYSA-N 426.738 5.886 0 40 IKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408649249 ZSFAKKJTVDZULN-NRFANRHFSA-N 428.532 5.650 0 40 IKAB O=C(Nc1ccc(Br)cc1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674774 CJSZSEOAHJSDOY-UHFFFAOYSA-N 437.268 5.329 0 40 IKAB COc1cc(Br)c(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1OC 408994376 ZCUCMKDMWIAZGM-UHFFFAOYSA-N 435.343 5.113 0 40 IKAB COc1ccc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 409135306 YGCONAABFYREDM-SFHVURJKSA-N 434.561 5.058 0 40 IKAB Cc1nc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)O)n[nH]1 409190015 UPXDZGHTEWYFHY-IUXPMGMMSA-N 436.320 5.217 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N3CCCC[C@@H]3C)nnc2-c2ccc(Cl)cc2)c1 409209474 FQTVBRUYSYZCBB-KRWDZBQOSA-N 441.000 5.389 0 40 IKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409229164 KPTXMMXKNFRXDF-HYARGMPZSA-N 437.948 6.519 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 409324663 UIJVDLVKXILNRK-LYBHJNIJSA-N 428.532 5.404 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@H]21 583652787 RGMOWKMCHFVBQH-PZBISTMVSA-N 435.490 5.012 0 40 IKAB biogenic CCOc1ccc(CN2CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1CO 585176615 VFIQRKOKWCNGDI-HSZRJFAPSA-N 434.555 5.082 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c(OCC(=O)O)c1 585264449 CGXYHJVECWQLJT-UHFFFAOYSA-N 432.907 5.691 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 643570917 YLAYINOKGRWZJQ-UHFFFAOYSA-N 441.015 5.300 0 40 IKAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC(=O)Nc1cccc(C(F)(F)F)c1 1775964389 MYJJETNSHHNWHZ-VVHHDAOASA-N 437.506 5.033 0 40 IKAB biogenic,in-vitro O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)nc(-c3ccc(C(=O)O)cc3)c2)cc1 1857776096 MRHFFQFIDCZIRI-UHFFFAOYSA-N 439.423 5.177 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2cccc(C)c2)c1C 872043 CWRFTPXBFTVCGJ-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3cccc(C)c3)c3c2sc2c3CCCC2)cc1 924539 DHYWWHPFBAUWDE-UHFFFAOYSA-N 442.584 5.311 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4cccs4)ccc3c2=O)c1 942767 MFXFSLFOVPLTPX-UHFFFAOYSA-N 446.402 6.193 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3C)c(=O)[nH]c2c1 1358594 LHRLKDGJWYGZLE-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB CCCC(=O)N1c2ccc(-c3csc(NC(=O)c4cccc(OC)c4)n3)cc2C[C@@H]1C 1365696 XEPQTDMCTAEZJX-HNNXBMFYSA-N 435.549 5.149 0 40 IKAB CCOC(=O)c1c(C)n(C)c2c1cc(OC(=O)c1cccc3ccccc13)c1ccccc12 1801183 ANLGMJLDKBQZLC-UHFFFAOYSA-N 437.495 6.189 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1824211 GSYJOFBDYNCAAP-IBGZPJMESA-N 442.650 6.135 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CC[C@@H](C(C)(C)C)C2 1921914 WNUGHISEENSMLX-QGZVFWFLSA-N 435.589 6.481 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3F)nc3sc4c(c3c2=O)CCCC4)c1 2143370 BJSLZARRJWZQRC-UHFFFAOYSA-N 436.577 6.066 0 40 IKAB Cc1cccc(-c2nnc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)o2)c1 2154402 IKGOWCDSENGFLD-UHFFFAOYSA-N 435.936 6.096 0 40 IKAB S=C1NC(c2ccccc2)=C[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 2180903 MYSWBDNANZEIID-QHCPKHFHSA-N 442.975 5.753 0 40 IKAB CC1CCN([C@H](C)C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 2292549 KHAKSADXWAYEPL-HRFSGMKKSA-N 439.043 6.282 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)n1c2ccccc2c2ccccc21 2302772 XJTKBHQEQSQLFA-UHFFFAOYSA-N 445.547 6.837 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2321255 ACBYPACYROAYRE-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB CC(C)c1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2714455 NUDCZQLLIWDKOX-UHFFFAOYSA-N 438.962 7.608 0 40 IKAB CC1=CC(C)(C)N=C(SC(c2ccccc2)c2ccccc2)N1c1ccc(Cl)cc1 3074935 YTHMIBRNYNGZFZ-UHFFFAOYSA-N 433.020 7.721 0 40 IKAB O=C(Cc1ccc(Br)cc1)OCC(=O)N(C1CCCCC1)C1CCCCC1 3271314 UJSRWKSLQDNZRW-UHFFFAOYSA-N 436.390 5.029 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)cc1C 3327573 TYXSURYNMJQQGR-UHFFFAOYSA-N 435.039 6.384 0 40 IKAB CCc1c(C)sc2nc(-c3ccc(C(=O)Nc4ccc(F)c(Cl)c4)cc3)[nH]c(=O)c12 3372412 ODAUKCJXUYHAKO-UHFFFAOYSA-N 441.915 5.567 0 40 IKAB CC(C)c1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 8453351 KCNXSBPJRGDCKQ-LBPRGKRZSA-N 441.163 5.741 0 40 IKAB C[C@@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)Nc1ccc2ccccc2c1 8687583 IHIUCLFYIRIBAI-GOSISDBHSA-N 447.494 5.634 0 40 IKAB aggregator CCOc1ccc2nc(SCc3nnc(-c4ccccc4Br)o3)[nH]c2c1 8709802 XEAMCWJDDKHOFB-UHFFFAOYSA-N 431.315 5.066 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1 8724678 VAMQVVBTPBHGLO-UHFFFAOYSA-N 433.515 5.411 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccccc1Cl 8754833 NAOMEWOPXCUVGI-GOSISDBHSA-N 431.923 5.289 0 40 IKAB CC(C)CCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 8758251 JJFKXAQMVONCCV-INIZCTEOSA-N 426.358 5.365 0 40 IKAB CCOC(=O)[C@H]1CSC2(CCC(c3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 8782043 ATNOKZOSKNIADC-RUPGZQMFSA-N 443.996 5.515 0 40 IKAB FC(F)(F)c1cccc(Sc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)c1 8855494 HSBDMEMTLUBUCM-UHFFFAOYSA-N 449.419 8.091 0 40 IKAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)c1ccccc1SCc1ccccc1 8995532 PZFLCMMORPJUBZ-UHFFFAOYSA-N 435.936 5.612 0 40 IKAB O=C1S/C(=C/c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 9234682 PWTHSASXXYDOPE-FZSIALSZSA-N 441.814 5.324 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 9310925 GNABHKPXYBDHEA-MFMCTBQISA-N 448.566 7.261 0 40 IKAB COc1cc(OC)c(NC(=O)c2ccccc2CSc2nc(C)cc(C)n2)cc1Cl 9349328 LRMQFVJTKWOBNW-UHFFFAOYSA-N 443.956 5.309 0 40 IKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccc(Cl)cc1 9366604 IXIPRHZUXUTBOG-UHFFFAOYSA-N 429.876 5.755 0 40 IKAB CCOc1ccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)cc1 9391131 XLQOXHGAGMKDRA-NRFANRHFSA-N 446.403 5.996 0 40 IKAB COc1cccc(NC(=S)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c1 9391141 QOTXCCXFAVRQFA-FQEVSTJZSA-N 432.376 5.606 0 40 IKAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1 9578044 GFZBIZWYNZYNHT-UHFFFAOYSA-N 438.603 5.676 0 40 IKAB Cc1ccc(C(=O)c2cn(Cc3ccc(Cl)cc3)c3cc4c(cc3c2=O)OCCO4)cc1 9610725 DJYPYSDBTPBNDA-UHFFFAOYSA-N 445.902 5.014 0 40 IKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 9707690 RXYFQEZEKAJKTL-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB Cc1ccc2c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)c(Cl)c1 9860932 KRSFCLUIAVQDQG-AREMUKBSSA-N 438.398 7.437 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1cccs1 9868961 PTPVRXFXUVUAIW-MRXNPFEDSA-N 432.574 5.237 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccc2noc(-c3ccccc3)c2c1 11690027 DCFRNIVJQNDKDV-UHFFFAOYSA-N 444.541 5.891 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cc(-c2ccco2)nc2ccccc12 12651682 WZTXZLRRERTSQS-UHFFFAOYSA-N 449.514 5.732 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(CN2C[C@@H](C)C[C@H](C)C2)cs1 12740917 CKPJOLDTPGYFHV-GJZGRUSLSA-N 426.611 5.305 0 40 IKAB COc1ccc(Br)cc1CN(C)C(=O)c1nc(-c2ccc(Cl)cc2)oc1C 12793991 JJLDYXKGLRHUFG-UHFFFAOYSA-N 449.732 5.347 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12980769 OZNAXPSWDFVRPC-PXAZEXFGSA-N 442.928 5.052 0 40 IKAB CC[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C)cc1 13101257 NJKJSGRGOFEUNU-LJQANCHMSA-N 439.909 5.546 0 40 IKAB Cc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)n1C1CCCCC1 13134016 NSOYEDPIHFGQQT-UHFFFAOYSA-N 434.609 5.413 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 13757125 IUDNURCLXVLCKU-RFBIWTDZSA-N 444.625 7.435 0 40 IKAB O=C(Oc1ccc(Br)cc1C(=S)N1CCCC1)c1ccc2ccccc2c1 13897322 QQQWGEIRGUIPEC-UHFFFAOYSA-N 440.362 5.593 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 13936256 RQDBSUXZVNDXLG-UHFFFAOYSA-N 447.585 5.758 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc3ncsc3c1)CC2 15317823 UURTXQHKEZUHIJ-XMMPIXPASA-N 430.529 5.101 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)cc1Cl 16545509 WWGODCKZFPTLTC-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB CCCCn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(OC(F)F)c(OC)c3)nc21 17096385 RQSCSJBZTORJCI-UHFFFAOYSA-N 429.389 5.836 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc(CC(C)C)cc1 17097774 OFEPZTBDBJFESS-UHFFFAOYSA-N 431.989 5.201 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 17099293 GXSNIRGXMCENLA-INIZCTEOSA-N 434.927 5.605 0 40 IKAB CCOc1cc(CN(Cc2cc(=O)oc3cc(C)c(C)cc23)C2CC2)ccc1OC(F)F 21585107 LOAQFHVGINBGSR-UHFFFAOYSA-N 443.490 5.575 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2ccc(C)c(Cl)c2)cc1 22277937 QDEFACZEVSNHBV-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)ccc3c2C)c2c[nH]c3ccccc23)cc1 27794284 XNVNELFWZPCCTG-QHCPKHFHSA-N 438.527 6.101 0 40 IKAB COc1ccccc1NC(=O)c1nc(SCc2ccc(C)cc2)ncc1Br 28291950 RGHDDDQQTWOOLE-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)CCc1ccccc1 32103441 KOGZTXLFHBORPR-UHFFFAOYSA-N 433.577 5.599 0 40 IKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccccc4Cl)cc3)n2)cc1 32578787 WGDDTYSKDOSLJB-UHFFFAOYSA-N 433.895 5.061 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3ccccc3F)C(=O)N=C2O)cc1OC 34690385 IORJHWVJXFJEFO-IGVUGNCQSA-N 446.862 5.172 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)cc1 35078039 YHMDAABDBXUAJA-UHFFFAOYSA-N 440.499 5.385 0 40 IKAB COc1ccc(CN2CCC[C@H]2c2nc(-c3ccc(OC4CCCCC4)nc3)no2)cc1 35425485 VYICQULNUABHSB-QFIPXVFZSA-N 434.540 5.189 0 40 IKAB biogenic,in-vitro O=C(Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1)c1cccc(Cl)c1 35671786 IGFNXAXNKVSTCU-UHFFFAOYSA-N 433.920 5.968 0 40 IKAB COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCC3)cc1 36354584 CLCIXAACFXDAIW-RUZDIDTESA-N 440.543 5.068 0 40 IKAB COc1ccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)cc1 36617260 WMJZAQIXPYPBDH-UHFFFAOYSA-N 425.460 5.365 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 44850512 FHTMEJWNTULHIW-JJIBRWJFSA-N 427.935 5.691 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccccc1Cl 57316248 QNXSWBGYZNWBDM-UHFFFAOYSA-N 449.757 5.167 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c(C)c1 59115799 ZGLPTJQJTTZSQK-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N(Cc1cccnc1)c1ccc(Cl)cc1 60035529 KRIVYVIDDDPVLY-UHFFFAOYSA-N 444.837 5.288 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3sccc23)CC1 71889363 UUEJJPVZQIBUKD-NRFANRHFSA-N 435.597 5.384 0 40 IKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72214595 GNZYXRKCLGZGOX-JOCHJYFZSA-N 437.584 5.847 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccncc2)CC1 72345106 FZLMKSBRMJKNRY-UHFFFAOYSA-N 427.592 5.098 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1 102984738 RHAOXPWIIXEHJR-DNOBIOAJSA-N 444.531 7.003 0 40 IKAB CC[C@H](C)NC(=O)[C@H]1C[C@@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 106171060 QOXBPKJTVZKVHV-YRNRMSPPSA-N 438.959 5.187 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc1 106715470 KJWJYJZGLAILLL-GRSHGNNSSA-N 436.360 6.265 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118912512 GSNYNPKRIFCZGN-OKPBFWFOSA-N 446.716 5.966 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1Cc1ccc(F)cc1 214240530 QHDQGLCOKBYLBA-LPYMAVHISA-N 437.467 5.780 0 40 IKAB Cc1cc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2nc1-c1ccccc1 215707541 FAEYBTQNRRYEJG-UHFFFAOYSA-N 428.439 5.520 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1c1ccc(Cl)cc1 224475499 OROCQSKHRHPHJP-XZOQPEGZSA-N 445.979 5.157 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccccc1C(C)(C)C 224516576 JDGPLSFXBWQZEW-UHFFFAOYSA-N 437.624 6.805 0 40 IKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224563480 UZZOUOLWOCZSRU-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc[nH]2)cc1 224659334 QPHSIOQDOVYLMT-BJKOFHAPSA-N 426.545 5.688 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)ccc1F 224905594 HHHWDTZOQYTANR-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 225289556 WSLANPXZIZJCRC-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NCCSCc1ccccc1Cl 225296635 LOVQCVWXKUWVOW-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CSc1ccccc1 225353149 SGSGAATZZKZHKP-XMMPIXPASA-N 438.637 5.078 0 40 IKAB C[C@@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 225405437 XUDWXVRIRZWZDQ-LJQANCHMSA-N 434.674 7.324 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225582247 DCFJEYSKTKJLOD-AMGIVPHBSA-N 444.619 5.803 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 225587613 WDSWAGXFGLUBLA-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cccc(Cl)c1Cl 225819033 MULAFOPESPRGHB-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@H]32)ccc1OCc1c(C)noc1C 230069163 RYIBQBBEQKGBLE-BAPWKAGOSA-N 438.568 5.319 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccccc1C(F)(F)F 253571825 PLEMUHRAVWBHPK-UHFFFAOYSA-N 436.503 5.022 0 40 IKAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 253590788 FSDMSBUNAOBSQO-IOASZLSFSA-N 434.487 5.186 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1[C@H]1C[C@](C)(NC(C)=O)C[C@@H](c2ccc(F)cc2)O1 257320270 VVZJCVMTMSLISM-JBRSBNLGSA-N 443.515 5.190 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ccc(Cc5cccc(C)c5)cn4)C3)cc12 257323922 WMLCRWBSXKLRQT-JOCHJYFZSA-N 439.559 5.491 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 260788340 YZYXAYNRCWHIMY-LPTQZCDUSA-N 443.403 6.159 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)cc2)cc1 408531236 MMHZROHMGFFKAX-KGENOOAVSA-N 437.973 7.041 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)c(C)c1 408560205 CNYGEOBFCAIWSN-GYHWCHFESA-N 443.410 5.919 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1Cl 408612241 XZWSPKQTBZVTNI-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc([C@@H](CCC(=O)O)N2CCN(C(=O)c3ccccc3-c3ccccc3)CC2)cc1 408613554 YBDZETLKRIRLNH-AREMUKBSSA-N 442.559 5.026 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cccc(F)c2)cc1 408623056 CQCLHCWROSBOQW-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(c2cccc(Cl)c2)C1=O 409149769 QIUAFBGMYXUJID-INIZCTEOSA-N 440.746 5.312 0 40 IKAB CC(C)c1nc(CCC2CCCCC2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265468 QWRDBKQNCUATRE-UHFFFAOYSA-N 430.386 6.846 0 40 IKAB Cc1cccc(C(=O)N2CCCCCN(C)C(=O)c3ccccc3OC[C@@H]2CC(C)C)c1 643582029 IKWGMLCWFUVLBB-QHCPKHFHSA-N 436.596 5.187 0 40 IKAB COc1cccc(C(=O)CSc2nnc(C)c3c(C)n(-c4cccc(Cl)c4)nc23)c1 642649 RWOWNHLXPMIYCR-UHFFFAOYSA-N 438.940 5.069 0 40 IKAB O=C1[C@@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 729581 XZBPLKWEYPOIEE-RTWAWAEBSA-N 428.271 5.258 0 40 IKAB O=C(c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl)N1CCCc2ccccc21 848529 IPFMZINOZLAMRD-UHFFFAOYSA-N 446.816 5.255 0 40 IKAB COc1ccc(NCc2nnc(SCc3ccccc3)n2-c2ccc(OC)cc2)cc1 925396 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S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 223337420 GDUUWVWIQRZHCY-YADHBBJMSA-N 434.952 5.291 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc3cc(OC)ccc3c2)c2ccccc2O1 223691781 OBRQBVKJPPRZQS-JOCHJYFZSA-N 425.550 5.209 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccc(Cl)cc1 224157407 HSYVGNFLFWKIOM-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224277818 XRRZVUOJYHJTHD-XMMPIXPASA-N 441.015 5.447 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 224312397 ARXQGEAAKZNVGJ-RPBOFIJWSA-N 440.572 5.372 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 224330759 MVBJJFJKIUIRJM-LOSJGSFVSA-N 439.588 5.315 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@@H](C)C4)cc3)CCCCC2)c1 225539896 FHOKZLOZHOOOTM-PSWAGMNNSA-N 448.651 6.192 0 40 IKAB Nc1nnc(-c2cc(Cl)c(OCc3cccc4ccccc34)c(Br)c2)o1 226341878 OEYKOTWDHOTFCR-UHFFFAOYSA-N 430.689 5.467 0 40 IKAB Cc1nnc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)O)o1 408630827 DACLLCKUXQETLQ-IUXPMGMMSA-N 437.304 5.482 0 40 IKAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408647400 VHYPXSLUHZAMQR-MJGOQNOKSA-N 434.923 5.681 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(C)c(C)c2)c1 408698941 QDVPDNOUHUMINV-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)cc2C)n1 408699459 UIOPPJIYCXPHIK-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2Cl)N[C@@H]1c1ccccc1 408991835 RELAPNOGRLKTPE-LJQANCHMSA-N 435.376 5.764 0 40 IKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1 409112365 LLYHGZIPUHXDSY-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409173614 MMZAYWSODORDRV-QBXOAZQASA-N 434.649 6.245 0 40 IKAB CCc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 409180025 UQZBYOFVSBLBLR-LJAQVGFWSA-N 432.567 6.923 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(C(C)(C)C)cc1 409199582 PFBKMMLVDPMSOF-SGEDCAFJSA-N 426.585 6.459 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)cc1 409341634 FEBBUOQBEJTSEB-STZFKDTASA-N 438.549 5.157 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2 1615527146 YMUUVCGZHGOOAH-QHCPKHFHSA-N 445.534 5.187 0 40 IKAB C[C@]1(Cc2ccc(F)c(C(F)(F)F)c2)CCCN1C(=O)c1cc2ccccc2nc1O 1635961153 LUFAGTSOTHJXQA-JOCHJYFZSA-N 432.417 5.336 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)NC3CCCCC3)c(=O)[nH]c2c1 1352943 DQTBBPALJUIDRV-UHFFFAOYSA-N 437.971 5.534 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)cc1 1376437 PXQSXWWKFHLZPM-UHFFFAOYSA-N 434.565 5.367 0 40 IKAB CC(C)c1nc(SCC(=O)Nc2cccc(C(=O)O)c2)c2c3c(sc2n1)CCCC3 1378866 IKYHHFOKKCORCM-UHFFFAOYSA-N 441.578 5.123 0 40 IKAB Clc1c(Cl)c(Cl)c2c([nH]c3c(Cl)c(Cl)c(Cl)c(Cl)c32)c1Cl 1671062 HMXCAROPJPNCQV-UHFFFAOYSA-N 442.771 8.548 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N(C(=O)c1ccc(Cl)cc1Cl)C1=NCCS1 1794281 MNUGAHWLWDRRDY-UHFFFAOYSA-N 448.158 5.686 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Cl)cc1Cl 2063149 WCFNEGCVCDBFOH-UHFFFAOYSA-N 438.426 7.408 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3cc(C)ccc3n2)cc1 2078738 FAVIHKGNESDPHS-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(C)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2104103 BTEZTFVSIIFQHJ-UHFFFAOYSA-N 428.484 6.003 0 40 IKAB biogenic COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 2253652 NNKAQICNXCFGLC-UHFFFAOYSA-N 444.494 6.437 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1c(Cl)cccc1Cl 2280576 FMXGOXUJZMWMNT-UHFFFAOYSA-N 446.355 6.673 0 40 IKAB CCCc1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1CCCC2 2294522 OBABJXOCEYVLPK-UHFFFAOYSA-N 433.602 6.046 0 40 IKAB O=C(CCCSc1ccccc1)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2647556 RFSWHORECMTRIR-UHFFFAOYSA-N 430.598 6.988 0 40 IKAB NC(=O)c1ccsc1NC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1 2658855 AUKWLPFUSRBHCG-UHFFFAOYSA-N 442.949 5.791 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 2660743 AZYJTCGJZKIAOQ-DEOSSOPVSA-N 442.588 5.724 0 40 IKAB CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)c1 2750864 QRICZAUITXCRTI-KRWDZBQOSA-N 435.545 5.458 0 40 IKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 2974694 MDXPCSAWPUSIEG-UHFFFAOYSA-N 436.515 6.238 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccc(Cl)cc1)c1ccccc1 3286472 NFACWHOQOYXRTA-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB O=C(NC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 3331550 VXCSTSQDWQXXNV-UHFFFAOYSA-N 441.380 5.247 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(Cl)cc3)N2C1=O 3636815 RZVNHLSMKJNGHO-UYAOXDASSA-N 440.952 5.122 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cc(C)c3ccccc3n2)sc2c1CCCC2 6154107 SJDMPMSSSMBYLU-UHFFFAOYSA-N 440.590 5.391 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1 8755030 ISULESJUMJIDKI-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1c(Cl)cccc1C(F)(F)F 8825026 HONSOBUAXGIOLS-UHFFFAOYSA-N 438.789 5.118 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Cl)cc2Cl)o1 8831506 SAVHQVNQQVBWQC-UHFFFAOYSA-N 449.315 5.151 0 40 IKAB COc1ccc(-n2c(N)c(C(=O)Nc3c(Cl)cccc3Cl)sc2=S)cc1 8846030 NBMSUGHGYPNBRI-UHFFFAOYSA-N 426.350 5.418 0 40 IKAB CC(C)c1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 8851966 HNDLVWLAIKUZGK-UHFFFAOYSA-N 443.569 5.318 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c(C(=O)OC(C)C)c(C)oc3cc2C)c(C)c1 8870337 SMJNOWSKRSIOPV-UHFFFAOYSA-N 429.538 5.341 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc21 8959760 YCWIKYCMAHYCSV-UHFFFAOYSA-N 434.458 5.365 0 40 IKAB O=C(COc1ccc(NC(=O)c2ccco2)cc1)Nc1ccccc1Sc1ccccc1 8983052 ITQYBALMLKENSN-UHFFFAOYSA-N 444.512 5.701 0 40 IKAB C[C@H](NC(=O)c1cccc(Br)c1)c1nc2ccccc2n1Cc1ccccc1 9057715 AERIEVYZMIEUNL-INIZCTEOSA-N 434.337 5.338 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(O)C[C@H](c3cccs3)CC2=N1 9087418 BXODJYQDWSDBPX-HXOBKFHXSA-N 442.544 5.379 0 40 IKAB Cc1c(Cl)cccc1-n1c(SCc2cn3ccsc3n2)nc2ccccc2c1=O 9141626 NSVODKJISLAMKI-UHFFFAOYSA-N 438.965 5.349 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 9161436 XTQWSXCIWVOMRG-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB Cc1c(CCC(=O)NCCc2ccccc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9199066 RZKVUZGIJNECNG-UHFFFAOYSA-N 431.532 5.437 0 40 IKAB COc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 9308167 OUPZXVAWVCFUCG-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CC[C@H](c1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)n1Cc1ccccc1)N(C)C 9414252 ABECTXRKMAEFIA-VGOFRKELSA-N 447.608 5.184 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1Cl)oc1ccccc12 9632941 LITDAIWDNDKJBV-LBPRGKRZSA-N 441.842 5.571 0 40 IKAB CCOc1ccc2nc(N(CCN(C)C)C(=O)c3cccc(SCC)c3)sc2c1 9707935 HYEQXSJQUXFWKB-UHFFFAOYSA-N 429.611 5.015 0 40 IKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4cccc(N5CCCC5=O)c4)sc32)cc1 9713057 DPKWRQABRYVRFT-UHFFFAOYSA-N 444.560 5.142 0 40 IKAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccc(SCc2cccnc2)cc1 9736806 XMQACGANWFRVBB-VGOFMYFVSA-N 429.545 5.153 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(Br)s4)n3)oc12 10749655 VHKZYIXUTZKDRC-UHFFFAOYSA-N 449.351 6.031 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 11866349 LBSQZSNMXSBGSB-UHFFFAOYSA-N 436.870 5.896 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)sc2c1CCCC2 11916901 ZWYCTXPLHHWXBR-UHFFFAOYSA-N 428.485 5.158 0 40 IKAB CCOc1cc([C@H]2NC[C@@H](c3ccc(OC)cc3)c3c2[nH]c2ccccc32)ccc1OC 12683085 WGCZLEVZAYUPRK-HFZDXXHNSA-N 428.532 5.408 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(-c3ccc(OC)cc3)cc1)=NNC(c1cccnc1)=N2 12707527 IPZOUKIQEGXOPZ-UHFFFAOYSA-N 448.526 5.590 0 40 IKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccncc1 12749571 AGEKGXAHAHEAOT-UHFFFAOYSA-N 431.361 5.419 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@@H]1CCCc2ccccc21 12779500 ZIEWGCRESHUQJP-VGOFRKELSA-N 447.604 5.186 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccc3ncsc3c1)CC2 12796065 YBQXHQMVMLWDFN-JOCHJYFZSA-N 436.558 5.163 0 40 IKAB Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1C 12878392 UDMIYXPAQZPTMZ-UHFFFAOYSA-N 443.041 5.599 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)c2cccs2)C1 12891367 MEAOYFXKSHYNDC-YKSBVNFPSA-N 444.556 5.252 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3cc(C)ccc3C)cs2)cc(OC)c1 13010351 IHTQZGGHNSIEHJ-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB Cc1cc(C)cc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 13013999 SULPAZLLALINGN-NRFANRHFSA-N 433.508 5.965 0 40 IKAB COc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3Cl)[nH]c2=S)cc1OC 13071160 PITIGHCKTMTLKJ-UHFFFAOYSA-N 439.368 5.021 0 40 IKAB O=C(COc1ncnc2sc3c(c12)CCCC3)N(Cc1ccccc1)Cc1ccccc1 13131977 LTJCUXYCGHXWJS-UHFFFAOYSA-N 443.572 5.178 0 40 IKAB Fc1ccc(-n2c(SCCNc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 13138054 MXSSKKGKVCIKJC-UHFFFAOYSA-N 430.512 5.154 0 40 IKAB Cc1ccc2c(c1)[C@H]1CC(c3ccc(Cl)cc3Cl)=NN1C1(CCN(C(C)C)CC1)O2 13788226 CSVYUOYFXBDRLA-JOCHJYFZSA-N 444.406 6.046 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 13799223 OXRDWATYMRNBEQ-UALQAHIBSA-N 440.897 5.600 0 40 IKAB CCc1cccc(CC)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(C)cc1 14135469 JASDMHPNDRMMGA-UHFFFAOYSA-N 442.625 5.082 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 14269349 PCUFZNYGHIMVSD-UHFFFAOYSA-N 447.535 5.562 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)oc2c1 14272197 WGDVVGQYKICUCX-UHFFFAOYSA-N 448.950 6.772 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 14608366 JBVPBDFXJLNMSY-SANMLTNESA-N 427.523 5.362 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 15881543 PRAGJWKOVBFOIA-UHFFFAOYSA-N 429.307 5.760 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 15992223 PIVIZPUPNFIYQN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 17098591 UGRUPRLEROLHPE-UHFFFAOYSA-N 433.577 5.239 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140421 DMTXKZWPQXFSTE-UHFFFAOYSA-N 446.261 6.397 0 40 IKAB FC(F)(F)c1cccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCCC4)c1 21548604 SYFXAHCJDXMARM-UHFFFAOYSA-N 448.514 5.165 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579536 QNJJQYKDFFWWPI-UHFFFAOYSA-N 431.517 5.193 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 23485137 KOBHWYVPRYIJNK-AREMUKBSSA-N 437.499 5.261 0 40 IKAB C[C@H](c1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(Cl)cc1)N(C)C 24297319 YIFDNPHTOCPVSO-OAHLLOKOSA-N 439.972 5.491 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccc(Cl)cc4)ncnc3[C@H]2C2=C1CCC2 26464338 VXPUVNNOJLOVOH-DENIHFKCSA-N 442.053 7.063 0 40 IKAB CC(=O)c1cc2c(N)c(C(=O)c3[nH]c(C)c(C(C)=O)c3C)sc2nc1-c1ccccc1 32929442 BKIVDSAEGWXVMO-UHFFFAOYSA-N 431.517 5.127 0 40 IKAB Cc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCc4ccccc4C)nc32)cc1 32952648 MXGCOIJUTRNORI-UHFFFAOYSA-N 425.604 5.424 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 34746447 VQQOKQRGYJXQRM-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 34890303 VVYVSLHQHRURSA-KPKJPENVSA-N 436.294 6.419 0 40 IKAB O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)Nc1ccc(F)cc1Cl 40135366 DKHFYCVUQKPODJ-UHFFFAOYSA-N 440.689 6.024 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 44855328 OAAGBHZUELTVFN-SIKLNZKXSA-N 426.988 5.279 0 40 IKAB CCN1CC(Oc2ccc(Cl)cc2)=NC(SCC(=O)Nc2ccc(C(C)C)cc2)=N1 57401821 HASJATZSOAWOMH-UHFFFAOYSA-N 444.988 5.219 0 40 IKAB COc1ccccc1OCC(=O)OCc1nc(O[C@@H](C)c2ccccc2)ccc1Cl 72300968 ZDLSWCVIGOMSRT-INIZCTEOSA-N 427.884 5.006 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2c[nH]c3ccccc23)C[C@H](c2ccccc2)C1 102689717 WMTVKRCQBJIXBW-QKKBWIMNSA-N 449.436 5.843 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)cc2)cc1 106759408 USMDHJKJOVNRBA-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB COc1cc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1OC(C)C 219842156 GJESLKDCYRJTHP-UHFFFAOYSA-N 439.939 5.645 0 40 IKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)cc1Cl)c1ccc(OC)c(OC)c1 222729050 DKGQGTNJEJTSBU-QGZVFWFLSA-N 428.381 5.511 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl 222934272 DAFIHYSMFLDSDV-FGZHOGPDSA-N 425.001 5.463 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222949282 NNEMOYQGAUFYDU-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 224028527 KDLOZUVRUVZSGL-GOSISDBHSA-N 447.579 5.339 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224045740 MGPQTXNMAGOQKK-LJQANCHMSA-N 443.031 5.728 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 224269394 LVOVNHBTEQMQEQ-IBGZPJMESA-N 445.003 5.032 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)c1 224295532 WHFACYPAKDJCNT-DQEYMECFSA-N 439.588 5.370 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 224533387 SHVHQZZKJVHTHX-NRFANRHFSA-N 435.395 5.260 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C)c1 224560466 JZMBNIZNPLLXMR-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224658044 ZHCBVEXPXJGFTB-RPWUZVMVSA-N 443.597 6.421 0 40 IKAB COc1cccc(-c2cnc(CCC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)o2)c1 224850199 JMLMFNUKVSAXEO-UHFFFAOYSA-N 448.906 6.367 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)c2ccccc2)cc1 224895601 VIQJARLAMODFDK-RCCKNPSSSA-N 447.947 6.046 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225302751 JBTZCQZOAIBHIG-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 225546407 HNUAOBKMWHMHIT-PXDATVDWSA-N 446.591 5.249 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225583402 FGNBCOZJCARZNR-ZJSXRUAMSA-N 438.612 5.219 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)c1ccccc1 225958352 JAWXHXYXUYUJOH-SFHVURJKSA-N 433.581 5.307 0 40 IKAB O=C(C1CCC(F)(F)CC1)N1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1OCCC[C@@H]12 257219685 DHRKNDSJKXPCTE-AZUAARDMSA-N 439.930 5.387 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Cl)cc2)cc(Cl)c1OCc1ccc(C)cc1 408554185 QPIRXNAPEGCESN-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cc(Cl)ccc2C)n1 408698234 MNLOESZVHJWMLO-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 408699589 VAENDLYUGWEBDA-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@@H]12 408719706 PHMGYUJPBKWGNV-YCIYHOANSA-N 444.328 5.020 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1 409008795 IICAEEASMUZGML-HAHDFKILSA-N 433.891 5.662 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 409113192 HBBOAZZIPWIOBX-UHFFFAOYSA-N 445.540 6.167 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CCC(=O)c3ccccc3)nc2-c2ccccc2)cc1C 409207413 WFGPDZACHRCYGB-UHFFFAOYSA-N 440.568 6.696 0 40 IKAB Oc1nc(-c2cc(Br)ccc2OCc2ccc(Cl)cc2)nc2ccccc12 409266680 RCJAGPXAURALSB-UHFFFAOYSA-N 441.712 5.997 0 40 IKAB CCCCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409360827 OSZNYZHRQQEPSX-XSFVSMFZSA-N 431.941 6.159 0 40 IKAB CCN1CCCCCN(C(=O)c2ccccc2C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582907 OUJZUUPCAOEDMN-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB Cc1cc(C)n(-c2ncnc3c2sc2nc(-c4cccs4)cc(C(F)(F)F)c23)n1 643067 GLQWTNALEWPWKM-UHFFFAOYSA-N 431.468 5.789 0 40 IKAB CSc1nnc2c(n1)O[C@@H](c1cccc3ccccc13)N(C(C)=O)c1ccc(Cl)cc1-2 684876 FYTFISSWXIOFCK-QFIPXVFZSA-N 448.935 5.511 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 884652 JXKQKDOWIPCTLJ-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 904701 SYYQIBLPMHGDTR-UHFFFAOYSA-N 446.557 5.780 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc3ccccc3s2)CC1 1326534 KQHIUOPGOVIKFF-UHFFFAOYSA-N 439.890 6.380 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1cccc(F)c1 1339114 QITWYFDJAVJVAF-DEOSSOPVSA-N 449.501 5.197 0 40 IKAB O=C(N1CCC(c2nc3ccccc3s2)CC1)N1c2ccccc2Sc2ccccc21 1358651 KYXRNEMTYPEEOH-UHFFFAOYSA-N 443.597 6.899 0 40 IKAB C[C@@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381871 YXPDQVGYCLFZGB-OAHLLOKOSA-N 425.315 5.576 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2ccc(F)cc2)c2ccc(OC(=O)c3ccc(F)cc3)cc21 2261143 YKJLERYDQBYZJF-UHFFFAOYSA-N 433.454 6.026 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)cc1 2290798 ZUAWLWUYQQGCSL-UHFFFAOYSA-N 439.494 5.109 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1)c1ccccc1 2352051 CGZNMTHLGCTTIC-UHFFFAOYSA-N 438.961 6.177 0 40 IKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2Cl)cc1 2443873 SPJUNYNMOZMDTM-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1c(Cl)cc(Cl)cc1Cl 3329576 HNBADGMZPOGYTO-UHFFFAOYSA-N 434.028 5.119 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1ccc(C)c(NC(=O)c2ccco2)c1 3348903 BWEJXHTYTJOPNA-MRXNPFEDSA-N 434.492 5.149 0 40 IKAB C[C@H]1C(=O)CC[C@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4722966 OFMXGFHWLZPCFL-SGEJOPOGSA-N 426.729 8.457 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc(-c3cccs3)nc12 8384111 OZCNXLFVDGLQEW-OAHLLOKOSA-N 435.932 6.353 0 40 IKAB FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)c1 8427273 SYLIGYQTVHGAKM-NRFANRHFSA-N 435.276 7.368 0 40 IKAB COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc(OC)c1OC 8433119 DAJBAAQACVTYSQ-SIBVEZHUSA-N 431.557 6.243 0 40 IKAB CN(C)C1(c2nnnn2[C@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 8751097 UZKVHHXLZVWXFE-HXUWFJFHSA-N 430.383 5.339 0 40 IKAB CSc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(Cl)cc2)cc1 8783297 CREGVZDDKSROLD-DEOSSOPVSA-N 438.036 7.786 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 8828198 MORJIKIKDBFHIJ-QFIPXVFZSA-N 439.559 5.737 0 40 IKAB Cc1ccc(Nc2c(-c3c(C)nn(-c4ccccc4)c3C)nc3ccc(Cl)cn23)c(C)c1 9210965 FEYRNXMNWBGCLV-UHFFFAOYSA-N 441.966 6.818 0 40 IKAB COc1cc(-c2c(Nc3ccccc3)oc3c2c(=O)oc2ccccc23)cc(OC)c1OC 9410004 URKJWUAETUBDTB-UHFFFAOYSA-N 443.455 5.976 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1cccc(-c2ccc(N3CCCC3)nn2)c1 9455638 RJLZIHXXVIDVGZ-UHFFFAOYSA-N 441.560 5.428 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2cccc(C(C)=O)c2)c2ccccc2)nnc1-c1ccco1 9477705 APKFGSFARLRRHC-OAQYLSRUSA-N 446.532 5.233 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c(oc3ccccc32)c1=O 9749570 ZMQRUGKXJDYKSS-UHFFFAOYSA-N 449.576 5.797 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 9790859 UVGTZAZQEKQPRS-JOCHJYFZSA-N 446.576 5.538 0 40 IKAB O=C(c1ccccc1F)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 12469199 AZWCDPDROFDGDJ-UHFFFAOYSA-N 436.939 6.492 0 40 IKAB O=C(O)c1c2c(nc3ccccc13)/C(=C/c1ccc(-c3cccc(Cl)c3Cl)o1)CC2 12566215 AGIRCECDWROUSO-OUKQBFOZSA-N 436.294 6.987 0 40 IKAB COCCn1c(C)cc(C(=O)CS[C@H](c2ccccc2)c2ccc(Cl)cc2)c1C 12635031 WNKVDYFBVGYDSL-XMMPIXPASA-N 427.997 6.110 0 40 IKAB CCCC(=O)Nc1ccc(C(=O)[C@@H](C)OC(=O)CCc2ncc(-c3ccc(C)cc3)o2)cc1 12978597 UNUGVVNCSHEBIV-GOSISDBHSA-N 448.519 5.136 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1sccc1-c1ccccc1 13057538 YMHADAJUJUNBJN-UHFFFAOYSA-N 437.952 6.169 0 40 IKAB Cc1sc2nc(SCc3nc4ccccc4s3)n(Cc3ccccc3)c(=O)c2c1C 13141814 CGKWOKGEUQYYQB-UHFFFAOYSA-N 449.626 6.025 0 40 IKAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 13501066 QUSOATSFHYBNDL-HSZRJFAPSA-N 448.615 5.142 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3sccc3-c3ccccc3)n2)cc1 14168333 OXJGEMFNYLIBKJ-UHFFFAOYSA-N 433.558 5.427 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nc2cc1Cl 14270762 JXHHWJJXRYXZEY-UHFFFAOYSA-N 446.384 6.192 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)c(C)cc1I 14272952 GVZFWOZQZQUEAX-UHFFFAOYSA-N 443.712 5.358 0 40 IKAB Cc1cc(C)cc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2C2CCCCC2)c1 15911744 PKEMAOVVAZCYEM-PNHLSOANSA-N 428.548 7.172 0 40 IKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)C1CCN(C(=O)c2cccs2)CC1 18118835 ORFKBLGEXBEGFR-UHFFFAOYSA-N 431.970 5.016 0 40 IKAB Cc1cccc(OCCCC(=O)N2CCCC[C@@H]2c2nnc(-c3scnc3C)o2)c1C 19235710 CXPWAIZXPQUABI-GOSISDBHSA-N 440.569 5.031 0 40 IKAB CC(C)n1cc(CN2CC[C@H](c3c(C(N)=O)sc4ncccc34)C2)c2ccc(F)cc21 19702599 MRKXAGANNUEXDG-HNNXBMFYSA-N 436.556 5.059 0 40 IKAB COc1cc(C)ccc1CN1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765109 XVYAGNZWTPVULG-QHCPKHFHSA-N 448.542 5.221 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@@H]3CC(=O)[C@@]2(O)C1 19802560 MCXULCLKYCWUMP-SINXOVDQSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1cc(Cl)cc(Cl)c1)nn2-c1ccccc1 19817305 LRPXOXSUTAFYAN-AWEZNQCLSA-N 438.314 6.428 0 40 IKAB CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 20085940 BYYWEIYBQNVJNG-LRKCNXCPSA-N 436.502 6.028 0 40 IKAB CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2C(=O)c1ccc(F)cc1 20152243 VRBBGQRKHISOSL-UHFFFAOYSA-N 449.378 6.311 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCC[C@H]3C)c2c1 20381550 IQPOTCDMUATQBP-OAHLLOKOSA-N 430.957 5.108 0 40 IKAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3cccs3)no2)C2CCCCC2)cc1 22257158 YQSBGNJUTKZQCF-UHFFFAOYSA-N 445.610 5.445 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CNc4cccc(N5CCCC5=O)c4)[nH]c(=O)c23)cc1 24842589 XSAGBSIDJZGJIQ-UHFFFAOYSA-N 444.560 5.007 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 25518302 AHZCILGLJXHBPD-LJQANCHMSA-N 436.533 5.182 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 30861022 GGBARURKEPAHJJ-UHFFFAOYSA-N 447.991 6.056 0 40 IKAB CSCc1c(C(=O)Nc2ccc(Cl)cc2NC(=O)c2ccco2)oc2ccccc12 32833937 AJJWGOANOAHXES-UHFFFAOYSA-N 440.908 6.047 0 40 IKAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl 38850219 UCIGWOILPRCNSH-CQSZACIVSA-N 427.759 5.506 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1C 44856367 HFFPZBZKLBLUQN-GOSISDBHSA-N 429.402 5.155 0 40 IKAB CCCn1cc(-c2nc(-c3cccc(Br)c3)no2)c(=O)c2cc(F)ccc21 49001978 RFAAULCSOMEHRS-UHFFFAOYSA-N 428.261 5.030 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccccc2)cc1 54201164 WJXDYRWHIQNHOH-VNLJKWRZSA-N 439.540 6.153 0 40 IKAB CC1CCN(c2ccc(Nc3c(C(=O)O)cnc4c(C(F)(F)F)cccc34)cc2)CC1 54219905 SZVSXDMZDKCFHK-UHFFFAOYSA-N 429.442 5.932 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)CCc1ccc(Br)cc1 59988088 JSFPSPWFIAEXAS-AWEZNQCLSA-N 444.348 5.142 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Cl)cc(OC)c3o2)cc1 67339465 CMZQPBDYJNSNES-MDZDMXLPSA-N 427.884 5.704 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(OC)c1 101035985 ZRVPLKLACAGKSC-FBAVSBLXSA-N 430.548 5.474 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccccc4)C3=C(O)C2)cc1 104161933 OZGPFWHAIRPXKW-RBTNQOKQSA-N 438.527 6.265 0 40 IKAB C[C@@H]1[C@@]2(c3ccccc3)[C@H](C(=O)c3ccccc3)N[C@H](c3ccccc3)[C@]12c1ccccc1 104216852 JNDUYIVFABWMIF-IOUMFMGISA-N 429.563 6.108 0 40 IKAB Clc1ccc(NCc2c(OCc3ccccc3Cl)ccc3ccccc23)c(Cl)c1 106971168 NGXBRGMPHBMARU-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cccc(-n2cccn2)c1 206896726 GXBZUQMIDKNCBA-UHFFFAOYSA-N 440.503 6.054 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc(C)c1Br 218834753 LTUXDYVZCKVQSZ-UHFFFAOYSA-N 436.655 5.756 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219770680 OQXAMHHOUXEDOE-UHFFFAOYSA-N 441.914 6.402 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 222625195 PYWWTWRKELMWPH-XMCHAPAWSA-N 439.382 5.224 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1C 222971423 OWJAKNUGUNDKBB-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 223041865 QKBOOBDKHBIVHF-NRFANRHFSA-N 438.612 5.005 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1ccc(OCCSc2ccccc2)cc1 223549187 PHUVSTOWYFLAMA-UHFFFAOYSA-N 443.568 5.820 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 223741015 OXJBSDXMNHWOHV-HSZRJFAPSA-N 429.004 5.305 0 40 IKAB O=C(COc1ccc2c(c1)CCCC2)Nc1ccccc1SCc1ccc(Cl)cc1 223893074 KTZPMNLTIGPNFH-UHFFFAOYSA-N 437.992 6.529 0 40 IKAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224033875 WKOMZSCJHOIRLO-NRFANRHFSA-N 428.941 5.022 0 40 IKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c(C)c1 224065725 RWTWKNCTLJJPHI-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224094065 CSCONTTVYUSRSN-INIZCTEOSA-N 436.027 5.993 0 40 IKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NCC(C)C)c1 224171489 JIABFWHRPLXGAO-QFIPXVFZSA-N 430.592 5.270 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224384746 BIBHAPXLZPGTIX-SANMLTNESA-N 446.566 5.291 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccccn2)N1c1ccc(Cl)cc1 224475546 OROCQSKHRHPHJP-DHIUTWEWSA-N 445.979 5.157 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 224542785 LVZLOXSODRYJIV-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224544018 PTEKQOPJYZKJSJ-UHFFFAOYSA-N 439.386 6.096 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225091880 OIBLFVQJSDCJKU-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225129209 YEXHEDSNDUTZGT-AREMUKBSSA-N 434.624 5.411 0 40 IKAB O=C(O)[C@H](Cc1ccccc1Sc1ccccc1)Oc1ccc(-c2ccccc2)cc1 225131268 DHZNPKAQJJLIIZ-VWLOTQADSA-N 426.537 6.580 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225173055 GQILOGKQPARSSS-OALUTQOASA-N 447.044 5.214 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225279435 LEPBGXSXNPSYAT-QGZVFWFLSA-N 433.935 5.856 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C1CC1 225338491 CRKNMJSQCDSGKQ-RPBOFIJWSA-N 446.620 5.799 0 40 IKAB Cc1ccc(N2N[C@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 225351144 HFOMNPLUUZGIBI-MUUNZHRXSA-N 435.596 5.957 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225749176 MDARGYDNJSGPDS-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(Cl)cc2F)C1 257251219 JPXONSYRKGOEPI-VWPQPMDRSA-N 440.342 5.637 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1cccc(Cl)c1 408692107 DPMURVGVEBTXSF-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1ccc(N(C)C(=S)Oc2ccc(C(=O)Nc3ccc4nccnc4c3)cc2)cc1C 408975311 MBGCXZKAXOVDTO-UHFFFAOYSA-N 442.544 5.299 0 40 IKAB Cc1cccc(COc2ccc(Br)cc2/C=C2/SC(=O)N(C(C)C)C2=O)c1 409021295 AGLRTLQIGIAXJH-YBFXNURJSA-N 446.366 5.781 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 409059884 YFHOVJDUKZUSSN-ODLFYWEKSA-N 446.311 6.503 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1cccc(F)c1 409119307 WBNPLCFIRUVRCZ-UCQKPKSFSA-N 431.507 5.957 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409169383 YBGUUWFTYJBKAP-NXTWQOBISA-N 430.498 6.514 0 40 IKAB Cc1nc(S/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)O)n[nH]1 409192713 ZONJNBUZUCZGQC-QRVIBDJDSA-N 440.528 5.487 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1 409326595 CLTMPIIXUPZSCM-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB O=C1c2ccccc2N(Cc2ccccc2)[C@@H](c2cccc3ccccc23)N1c1ccccc1 409331798 NXNLWNLQPWZLRG-SSEXGKCCSA-N 440.546 7.206 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409356278 MAHGBCYHNHNINU-PVGUKEHMSA-N 429.925 5.437 0 40 IKAB O=C(c1ccncc1)N1CCCCCCCNCc2cc(-c3ccc(F)cc3F)ccc21 2037931532 AGOWLFHQLCGTPZ-UHFFFAOYSA-N 435.518 5.727 0 40 IKAB COc1ccc(CSc2nnc(COc3ccc(C)c(C)c3)n2-c2ccccc2)cc1 707826 JOINTTHDTAORAQ-UHFFFAOYSA-N 431.561 5.764 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2ccccc2Cl)c1C 871427 KSNVYYBRMANKPQ-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3cccc(Cl)c3)ccc12 1772375 BEWIXESLQDPVOM-UHFFFAOYSA-N 428.871 6.971 0 40 IKAB CC(C)(C)c1cc2oc3c(c2cc1OC(=O)c1cccc(Br)c1)CCCC3 2157069 CPIPEMWSGZZMHA-UHFFFAOYSA-N 427.338 6.591 0 40 IKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 2261786 YVKCGDJIQAMRDG-YCRPNKLZSA-N 426.347 6.977 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2417870 AWHHEENBXJLBBS-JOCHJYFZSA-N 430.891 5.715 0 40 IKAB Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Cl)cc2)c1Sc1ccccc1 3116678 XEPKODZVPPBZHA-UHFFFAOYSA-N 426.847 5.601 0 40 IKAB Cc1ccc(C(C)C)cc1OCC(=O)Nc1cc(C(F)(F)F)ccc1OCC(F)(F)F 3287808 GSIQUYCYIGRZQJ-UHFFFAOYSA-N 449.391 6.096 0 40 IKAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@@H](C)C(=O)c3ccc(Cl)cc3)sc1-2 3477365 XIOLLFAZJKMUSH-ZDUSSCGKSA-N 426.921 5.604 0 40 IKAB COc1ccc(NC(=O)c2ccccc2SCC(=O)Nc2ccc(F)cc2)cc1Cl 3534054 QLNJWVVGOGEXHS-UHFFFAOYSA-N 444.915 5.471 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 4174576 KJORDJNCXCUSDH-WPSZSDGUSA-N 433.548 5.722 0 40 IKAB biogenic Clc1ccc(Cc2c(-c3ccccc3)n(Cc3ccc(Cl)nc3)c3ccccc23)cn1 8781858 NCPBCSMBFODPBC-UHFFFAOYSA-N 444.365 7.044 0 40 IKAB CC(=O)c1ccc(NC(=O)Cc2c(C)c3cc4c5c(oc4cc3oc2=O)CCCC5)cc1 8878709 SGCWFGRNOYYELJ-UHFFFAOYSA-N 429.472 5.110 0 40 IKAB biogenic Cc1sc(NC(=O)c2ccccc2F)c(C(=O)c2ccc(Br)cc2)c1C 8926516 ZCXHZKQPMJFBKL-UHFFFAOYSA-N 432.314 5.750 0 40 IKAB O=C(C1CCN(Cc2c(F)cccc2Cl)CC1)N1CCC(Cc2ccccc2)CC1 9063681 NSYIQAXZMQRUKP-UHFFFAOYSA-N 428.979 5.172 0 40 IKAB COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 9199029 VIPOCGNESDFULE-UHFFFAOYSA-N 447.531 5.403 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(C)C 9250416 POWCCZYUIAPXGF-UHFFFAOYSA-N 448.588 5.748 0 40 IKAB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)CSC2CCCCC2)c1OC 9444045 FYNDNNAZAHVJLE-LJQANCHMSA-N 444.622 5.509 0 40 IKAB COc1ccc(C(=O)N[C@H](c2ccccc2)c2nc3ccccc3n2CC(C)C)cc1OC 9488267 VOTGXYZAMFZHHK-RUZDIDTESA-N 443.547 5.229 0 40 IKAB CCCCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 9569610 YBTNUJJHEYPTPH-IBGZPJMESA-N 441.597 5.180 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccccc1 9647023 KDXPYIVILBJONE-QFIPXVFZSA-N 426.545 5.046 0 40 IKAB O=C(CC1(Cc2nc3ccccc3s2)CCCC1)Nc1ccc(N2CCOCC2)cc1 9672391 STHCKWOZESESHR-UHFFFAOYSA-N 435.593 5.265 0 40 IKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccc(Br)cc4)nc32)cc1 9906113 UNCALGYYYOPUIN-UHFFFAOYSA-N 446.270 6.486 0 40 IKAB CN(Cc1ccco1)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 9953127 MJNSGTPBNLYRQO-UHFFFAOYSA-N 430.961 5.057 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)cc1 10215089 CBVHLARBEPMQLF-TZIWHRDSSA-N 441.350 5.762 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(C)c(Cl)c1 11119390 JDZRXGXGNVEGQE-UHFFFAOYSA-N 440.952 5.025 0 40 IKAB Cc1ccc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)c(C)c1 12575197 NSXOPIQTZQQMGQ-IDUDEYGOSA-N 442.326 8.468 0 40 IKAB C[C@@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C12CC3CC(CC(C3)C1)C2 12623735 ZLYRVOVJFNXIOR-FVFHPELPSA-N 432.633 6.401 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccc(Cl)cc3)cc2c1 12644299 MNKKKXGSUZNJNA-UHFFFAOYSA-N 444.962 5.683 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N[C@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 12892688 NNKJRNLHPABJAA-OAHLLOKOSA-N 442.515 5.236 0 40 IKAB biogenic FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1cc(Cl)cc(Cl)c1 12955929 FBIJGVGMXBRUCV-UHFFFAOYSA-N 428.024 7.055 0 40 IKAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 13064595 CPYMMGDOSLCECN-XMMPIXPASA-N 448.615 5.142 0 40 IKAB COc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C 13095731 VQJILMLVCPTURK-JSNVTFDYSA-N 439.943 5.212 0 40 IKAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1cccnc1 13120307 IALWMOUDZXNZPZ-OAQYLSRUSA-N 430.508 5.040 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c1 13128142 WUSKQRVBLGGRQD-FQEVSTJZSA-N 447.560 5.006 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@@H]2CCCC[C@@H]2C)cc1 13138036 RQPRFKUNZKSXGL-HRAATJIYSA-N 439.556 5.819 0 40 IKAB COc1ccc2c(COC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)cc(=O)oc2c1 13142025 OEFAPXQNUMMMRF-UHFFFAOYSA-N 441.439 5.275 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)Cc1cccs1 13498282 PGOJXKYYFSMIPC-QHCPKHFHSA-N 438.618 5.181 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 13758229 JEQQFEUEUJJGBJ-CYFREDJKSA-N 434.879 5.320 0 40 IKAB O=C(Cc1ccc(Br)cc1)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 13941645 VNACNWAYTIPJOM-UHFFFAOYSA-N 434.293 5.347 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 14070414 KOHNCIJLUKRBHZ-UHFFFAOYSA-N 437.330 5.513 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C)C(=O)Nc4ccc(Cl)cn4)o3)cc2C1 14184810 NEEZFOATUCOYHA-GHMZBOCLSA-N 434.974 5.091 0 40 IKAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H](c3ccc(F)cc3)c3cccs3)c2C)cs1 14246961 CYSIYTKUGWFULB-QHCPKHFHSA-N 439.581 5.643 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 14272724 GVMIEUNAIYQBNB-UHFFFAOYSA-N 448.954 5.741 0 40 IKAB O=C(Nc1ccnn1Cc1cc(Br)cs1)c1cc(F)c(Cl)cc1Cl 14636024 BKLMMWAHRYDNFP-UHFFFAOYSA-N 449.132 5.454 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 15275835 UWVNFTWBEUTCTM-XMMPIXPASA-N 426.472 5.170 0 40 IKAB Cc1oc2cc(OC(=O)c3ccc(Cl)nc3)ccc2c(=O)c1-c1c(F)cccc1Cl 15317666 LMTYDMWQEFYUSH-UHFFFAOYSA-N 444.245 5.829 0 40 IKAB N=C1S[C@H](C(=O)c2ccccc2)[C@](Br)(c2ccccc2)N1c1ccccc1 16476511 AHUSPTPILYVXOB-IRLDBZIGSA-N 437.362 5.674 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 16610467 CJMFBFMMQXIAKC-GFCCVEGCSA-N 433.986 5.562 0 40 IKAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccccc2)n(-c2cccc(C)c2)c1=S 16769365 CMOPFBSUWFMGCJ-UHFFFAOYSA-N 444.560 5.416 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 19633131 OPUGSBFUXNJTRQ-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(OC)cc3)cc(C)n2)cc1 19690668 VFAJLAJXHBALIR-SANMLTNESA-N 446.547 5.068 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1Br 20005399 YMMVOMURPLCZSY-UHFFFAOYSA-N 428.311 5.086 0 40 IKAB CC1CCC2(CC1)N=C(c1ccccc1)C(=S)N2C(=O)c1ccc(Cl)c(Cl)c1 20152326 DBNOPCVCSMRVEL-UHFFFAOYSA-N 431.388 6.172 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20530542 FCEJFYCOJXFRMK-UHFFFAOYSA-N 436.924 6.326 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccc(C)c(C)c1 24227080 AIFSJEYHLMVXLS-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c(OC)c1 24759140 IXJDURZENDBJAT-XSFVSMFZSA-N 425.431 5.485 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)c1 24833375 OSFZFBBIHQEQSV-UHFFFAOYSA-N 426.545 5.516 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc(C)cc2)CCCC1 30822857 BGFGUYXIAKJPQM-UHFFFAOYSA-N 427.504 5.657 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 32017357 KDYITKSJVDSFKM-UHFFFAOYSA-N 436.533 5.061 0 40 IKAB C[C@H](Nc1cccc(NC(=O)C2CC2)c1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 32825935 GGCYOYZMCFWMKH-KRWDZBQOSA-N 444.966 6.260 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc2c(Br)cccc12 33654941 RTWAHSWZXRDZMS-UHFFFAOYSA-N 443.772 6.498 0 40 IKAB COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)c(OC)c1 35310736 PYYXXEMOKJFRJV-UHFFFAOYSA-N 446.576 5.022 0 40 IKAB Cc1ccc(Cn2c(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)nc3ccccc3c2=O)cc1 36247891 NYCDSYQGKJMODO-ZCNNSNEGSA-N 449.620 5.023 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1 39996905 YETFUTDNQUWXDJ-OAQYLSRUSA-N 428.604 5.034 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)c1 57352285 ZOKGNVRATLCYQN-MHZLTWQESA-N 438.575 5.360 0 40 IKAB Fc1ccc(-c2nnc(Cc3nc(-c4ccccc4OCc4ccccc4)no3)o2)cc1 65185498 YBOLTSOGYWPSEN-UHFFFAOYSA-N 428.423 5.096 0 40 IKAB Fc1cccc(-c2nnc([C@H]3CC34CCN(Cc3ccc(F)c5cccnc35)CC4)o2)c1 71890565 ZUVCDFUXUWPOSW-HXUWFJFHSA-N 432.474 5.333 0 40 IKAB COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 72330497 OMCGVHHFEZRBJQ-NVQXNPDNSA-N 443.591 5.090 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)sc1C 72375650 CMVSRRAJSDNQDY-OAQYLSRUSA-N 438.572 5.724 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(CC(=O)NC3CCCC3)[C@@H](c3ccccc3)C2=C(O)C1 100141890 INOPNVAUVHXHDD-MHZLTWQESA-N 443.591 6.011 0 40 IKAB ClC1=C(Cl)[C@@]2(Cl)[C@H](COc3ccc(Cl)cc3)C[C@@]1(Cl)C2(Cl)Cl 100360386 GRPJFZFIUCJBJN-PAWXDDDFSA-N 441.396 6.571 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100857498 VCWRTYSELLQTOI-KHJCJPNESA-N 438.571 6.634 0 40 IKAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccco1 103242952 UERTURUPPNSLDO-PBWTXFEYSA-N 447.564 5.878 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223781425 HWJBYUYBBLHVRI-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224182842 UEYYHBRGTINOCY-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 224195485 MCLFEENFYLLVAM-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 225557394 WIIQMYHBMPCNGV-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 225576951 GMRVNTDGMCYNQM-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c(C)c1 225769231 XHMNVPVJZJPOSJ-SANMLTNESA-N 430.617 6.701 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2Oc2ccccc2)c1 225794880 HKTQIIXJZYRPGI-MOHJPFBDSA-N 438.483 5.790 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(CSc4ccccc4)cc3)CCCC2)cc1 225855600 JOKXTPTYFFYHAV-UHFFFAOYSA-N 448.657 6.743 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257256432 KLLSAHJOHUREFJ-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(Cl)cc1 408600793 GEUSASADPVTYIV-VXLYETTFSA-N 431.847 6.115 0 40 IKAB O=C(O)/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)Sc1nc2ccccc2o1 408634806 UYHOIZUHUOQDDE-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652754 IDVDGDBCFJTTLO-OISXZLHDSA-N 448.349 5.341 0 40 IKAB Cc1cccc(Cl)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408697709 LGWIFWCOHQYGTG-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@@H]2CCCC[C@H]2C)o1 409004956 CNBRJIFEBMQKEA-TYNCELHUSA-N 444.384 5.303 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409094636 FDZNKNQQBHNSEK-SITPEIFSSA-N 447.512 5.017 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2)cc1 409100335 VGLBUDIACGJGSZ-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 409204706 JNHAYXJJMAEJPJ-RFBIWTDZSA-N 448.975 6.132 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N(CC)CC)nnc2-c2ccc(Cl)cc2)cc1 409216622 KBVMBPHRMISMHI-UHFFFAOYSA-N 428.989 5.111 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 409252307 DAVKRZGGZZIDCT-HHHXNRCGSA-N 444.600 6.056 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409407973 BGCKAZFLZHQKQB-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)cc1C 643574447 XRYISIROVFLPMN-UHFFFAOYSA-N 443.591 5.766 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3ccccc3F)n2)CC1 1848355047 CXFVLZHHPDDNMQ-UHFFFAOYSA-N 427.523 5.242 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 1327185 MKRXRMBOGBJEGR-UHFFFAOYSA-N 443.522 5.506 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1352886 ZOZQAAQLYRZUCB-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB COc1ccccc1/C=C/[C@@]1(C(=O)NC2CCCCC2)CC(=O)N1c1ccc(C(C)C)cc1 1378798 QISNXPXDSCEICY-BUCZBDGVSA-N 446.591 5.456 0 40 IKAB c1ccc(Cc2nc3c(c(N4CCOCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 2255568 MUUMXSYAEXVRID-UHFFFAOYSA-N 425.576 5.329 0 40 IKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CC[C@@H](CC)C2 2708171 PCEUAUHOKAPLBU-ZIAGYGMSSA-N 431.623 5.878 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)s1 2740255 GQVYUUNJDLJVRE-UHFFFAOYSA-N 446.881 7.196 0 40 IKAB O=C(N[C@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3109644 YJPUDPAXZVZCNE-CQSZACIVSA-N 429.583 6.212 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)Nc1ccc(F)c(F)c1F 3225672 ZWUOKYVBESKHOZ-UHFFFAOYSA-N 426.825 6.533 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2)oc1NCc1ccc(Cl)cc1 3329143 NYVTZVXUJKTWGG-UHFFFAOYSA-N 442.899 5.579 0 40 IKAB CC(C)Cc1ccc([C@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3413085 CKEGNAVGLWLNPB-LVXARBLLSA-N 428.576 5.104 0 40 IKAB Cc1ccc(-n2nnnc2S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)cc1 3498585 PWJWHVAZLXMVNG-QHCPKHFHSA-N 425.517 5.168 0 40 IKAB aggregator O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 3672420 CFOHICJDVBLLHQ-WMZHIEFXSA-N 444.314 5.544 0 40 IKAB Cc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)cc1 4231233 LKJUVHIJYFDFJN-UHFFFAOYSA-N 431.580 5.498 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 8690347 AITKOCCRJGXCGH-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc3ccccc3n2)cc1 8726085 UBQWENKRWZKSQG-UHFFFAOYSA-N 443.528 5.227 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1Cl 9056751 OWAQBYXPSICMCH-IBGZPJMESA-N 438.940 5.509 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc([C@H]4CC4(Cl)Cl)cc3)o2)cc1 9145865 CYDBQBNXCURYJY-MRXNPFEDSA-N 435.332 5.381 0 40 IKAB O=C(c1ccc(OC(F)(F)F)cc1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9245472 PREBOFPFUNSBJN-UHFFFAOYSA-N 437.805 5.093 0 40 IKAB CSc1nc(NCCCN(C)C)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9307093 GSHFJYWBVPNQRQ-UHFFFAOYSA-N 439.610 5.074 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1CCCC[C@@H]1c1nc2ccccc2s1 9313601 ABFGXNKCJWFEBA-MRXNPFEDSA-N 425.604 5.752 0 40 IKAB CCc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9446268 HIEWMRRLAMHLHU-HSZRJFAPSA-N 444.918 5.458 0 40 IKAB CCOC(=O)c1c([C@H]2COc3ccccc3O2)csc1NC(=O)c1ccc(Cl)cc1 9553689 SLBDRSZYRODMCI-GOSISDBHSA-N 443.908 5.343 0 40 IKAB O=C(CSc1nc2ccc(Cl)cc2o1)N1CCC[C@H](c2nc3ccccc3s2)C1 9586232 SJFIDPDQNXMIRN-ZDUSSCGKSA-N 443.981 5.589 0 40 IKAB Cc1sc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(-c2nc3ccccc3s2)c1C 9762055 NRPDBDIWYNYXEY-UHFFFAOYSA-N 442.587 5.297 0 40 IKAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059516 UZRJJBQKACWMSQ-LJAQVGFWSA-N 435.523 5.410 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 11197329 VTCABZRFSKJYFQ-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1 11617474 FSUPUYUPUASZAZ-UHFFFAOYSA-N 436.920 6.273 0 40 IKAB Cc1onc(C(C)C)c1C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 12087500 DGSMUPYTQMRUAQ-UHFFFAOYSA-N 441.551 5.123 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(Cl)cccc2s1 12140872 QHWISHMKCAWTHG-UHFFFAOYSA-N 445.013 5.548 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccccc1C(F)(F)F 12210630 DXEHKGXIDADWDW-UHFFFAOYSA-N 428.888 6.213 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1OC 12273729 LWTDUWPNTJNGAZ-CJFMBICVSA-N 434.467 5.094 0 40 IKAB Cc1ccc(S(=O)(=O)N=[P@](Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)cc1 12575450 VBRBFBQCBPQGPL-NDEPHWFRSA-N 431.494 5.904 0 40 IKAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13057980 SFQXBSKKJIJKTA-KRWDZBQOSA-N 427.375 5.720 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13114510 ZQYKLENGNPYRAR-AOMKIAJQSA-N 442.540 5.584 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 13114677 XWSYZDFLSSPBRW-UHFFFAOYSA-N 432.549 5.655 0 40 IKAB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(=O)N(C)Cc3ccccc3)s2)cc1 13140382 FWRCLWOKDRPECZ-MRXNPFEDSA-N 426.611 5.544 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc(F)cc1 13561441 WMMHMFGIGZWVFA-QFIPXVFZSA-N 440.515 5.473 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3cccc(OCc4ccccc4)c3)C(=O)O2)cc1OCC 16035467 AGINJMJLEQWPDV-KQWNVCNZSA-N 443.499 5.408 0 40 IKAB COc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5ncccc5o4)cc3)o2)cc1Cl 16226909 RQVJSKZGZBNGFE-UHFFFAOYSA-N 445.862 6.064 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)nc2cc1Cl 16284231 WBBZRCFBQXCZBP-RMKNXTFCSA-N 429.998 5.908 0 40 IKAB O=C(NC[C@@H]1CCC[C@@H](CNC(=O)Nc2cccc(Cl)c2)C1)Nc1cccc(Cl)c1 16398967 SDPJZNCQPMLYAT-HZPDHXFCSA-N 449.382 5.743 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(Oc2ccccc2)cc1 16755619 ISPMUKHDVHAFEH-UHFFFAOYSA-N 447.585 6.093 0 40 IKAB Cc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1C 16944767 NXKUFSARUJPRDU-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 17095220 WKCWUFLCOLLHBA-UHFFFAOYSA-N 426.969 6.529 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2s1 17098761 XRYRATPXWOOQLY-WEVVVXLNSA-N 434.348 5.994 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)cc1 17099334 CTMFHOQGCMFTTL-UHFFFAOYSA-N 434.952 5.573 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1 17099499 NFHHEXUQBRKGCV-UHFFFAOYSA-N 435.480 5.078 0 40 IKAB O=C(Nc1ccccc1N1CCCC1)c1cc(Br)c(Br)s1 18839515 OUPRLRHWZDPSMZ-UHFFFAOYSA-N 430.165 5.126 0 40 IKAB Cc1cc2cccc(NC(=O)c3cc(C4CCN(C(=O)c5ccccc5F)CC4)no3)c2o1 19126702 QHUIKNLYGCJYQT-UHFFFAOYSA-N 447.466 5.140 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H](c2cccs2)N(C)C)cc1 19897862 ZGGXVPBFIYZNBO-AUSIDOKSSA-N 444.556 5.011 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccccc1 20034859 JFNYDMNIWSCTMT-FQEVSTJZSA-N 428.579 5.066 0 40 IKAB COc1ccc(-c2c(C)nn3c(C(F)(F)F)cc(-c4ccc(C)cc4)nc23)cc1OC 20070530 ZDFMCPDGRIMSPZ-UHFFFAOYSA-N 427.426 5.716 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cccs1 21305892 FVSJCHDTPDIGFM-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578904 GZGVDEPKPNDASL-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 21580062 MZNFTLOYEKJOSU-UHFFFAOYSA-N 444.560 5.489 0 40 IKAB C[C@H]1CCCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C1 22851936 SGWQTDWZVKVZQO-GUYCJALGSA-N 428.945 5.231 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccccc1Cl 25392463 DBSBIYKDYSNCJI-UHFFFAOYSA-N 445.346 6.183 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2ccn(Cc3ccc(Cl)cc3Cl)n2)c1 27931731 HZPGXNJHKJACCN-UHFFFAOYSA-N 426.756 5.866 0 40 IKAB CCCN(c1ccc2sc(C(=O)NCC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209221 FECWSVZUNXOSOX-UHFFFAOYSA-N 444.622 5.201 0 40 IKAB Cc1nc(NC(=O)C23CC4CC(CC(C4)C2)C3)sc1-c1nc(-c2cccs2)no1 32069613 IFAQHVPWSIOZEW-UHFFFAOYSA-N 426.567 5.385 0 40 IKAB Cc1cc2oc(C(=O)Nc3nc(SCc4ccccc4)ns3)cc(=O)c2cc1Cl 32593798 VIJIDJFSYWJLOV-UHFFFAOYSA-N 443.937 5.151 0 40 IKAB COc1cc(C(=O)N(C)[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc(OC)c1OC 32593874 YZTMJBUZQSBLSW-DEOSSOPVSA-N 430.504 5.055 0 40 IKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1 35646200 CBSLQCULMIILCQ-JAIQZWGSSA-N 443.355 6.953 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)cc1C 44856681 PETWZJNBMRDFFY-QHCPKHFHSA-N 443.429 5.545 0 40 IKAB CCn1ncc2c(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)cc(-c3ccccc3)nc21 48263565 UZXKCQQSZSPYEM-SANMLTNESA-N 447.542 5.375 0 40 IKAB CC1CCN(Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)CC1 48300106 OZRXIMQGRXPXKO-UHFFFAOYSA-N 431.580 5.213 0 40 IKAB COc1cc([C@H](C)NC(=O)N[C@@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C 48325566 XBSZNCDHUNGKRY-ROUUACIJSA-N 444.572 5.400 0 40 IKAB CC(C)c1ccc(-c2noc(CS(=O)(=O)c3ncc(-c4ccccc4)n3C3CC3)n2)cc1 48365629 SEUVTLVPAHZMRT-UHFFFAOYSA-N 448.548 5.032 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc(-c2ccccc2)cs1 57313930 DCPWMRYSJGIXJE-WYMLVPIESA-N 431.542 5.597 0 40 IKAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc2ccccc2c1 59409181 MBHBDQXASQUWLB-SANMLTNESA-N 426.541 6.124 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1Cc1ccccc1)C1CCCC1 72215648 NHEHBBNTMXMKSA-DEOSSOPVSA-N 435.612 6.493 0 40 IKAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)s1 72354109 DGVGRXZKKALAAE-NRFANRHFSA-N 434.609 5.116 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3F)CC2)n1 100738860 ZGJHIGKLIYZYQV-IQGASKDCSA-N 432.543 5.009 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 102675161 MFXRPKFYWKDYMI-ZOQHYWGUSA-N 444.637 7.499 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 107673266 UPZAULDCGHDJSC-UHFFFAOYSA-N 436.408 6.425 0 40 IKAB CC1=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](C[C@@H]4O[C@]5(CC[C@H](C)CO5)[C@@H](C)[C@@H]43)[C@@H]2C1 118914390 RJQCTQMDJCNDGK-VAMZPLMNSA-N 428.657 6.104 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC(=O)[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCC(=O)O)[C@@H]3CC[C@@H]2C1 122611699 HZNDGGABZZJKNK-UGUIXSDDSA-N 432.601 5.257 0 40 IKAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)c(Br)c1 218867282 RXNQPEXRJWAUAX-SFHVURJKSA-N 432.358 5.117 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(C)cc3)o2)cc1 223406322 CEHZBUYCGSGJII-UHFFFAOYSA-N 440.565 5.004 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223915673 XJEOJCKKUOOREW-RPWUZVMVSA-N 431.609 5.241 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 224070072 NEMDBFUBYZUQQG-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)c1 224130755 YRPOTQWCDJSMBR-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406631 CUEAYQGFANBTRC-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1)N1CCN(c2ccccc2)CC1 224963671 IMCJGDTVCCLWCU-UHFFFAOYSA-N 443.934 5.624 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 224987867 OOHWREIJVOYCMJ-UHFFFAOYSA-N 427.635 5.701 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C(C)C 225041509 XIWNUBUNHICXBW-DQEYMECFSA-N 447.652 5.556 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225288825 SMTYCSDAVSPKRY-MHZLTWQESA-N 442.603 5.094 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225581226 QCRYSJUBKQDFRO-CVDCTZTESA-N 429.004 5.303 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cncc3ccccc23)CC1 257247899 JBBSISCSGZQLCN-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccccc2)Cc2ccc(C(C)(C)C)cc2)c1 257258345 KTKVMWCVYHPKTF-UHFFFAOYSA-N 445.559 5.599 0 40 IKAB Cc1cc(C)cc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 260508190 PXTRVMBXVLNHSU-HXUWFJFHSA-N 444.641 5.025 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)cc1 408545907 BHIPRTBRTVRGGC-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408578119 VSFFOYNQEUFYRI-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)C(=O)[C@@H]2C1 408682713 LGNDWFRIJGFZPW-UKRRQHHQSA-N 429.303 5.091 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408751140 WYXDQABTXOEWGX-IAGOWNOFSA-N 426.538 5.407 0 40 IKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(OCC)cc1 408828820 MHBNNWULKQXASB-UHFFFAOYSA-N 445.382 6.176 0 40 IKAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCc1ccc2ccccc2c1 409030417 DDBNYFOXVURZQL-JCMHNJIXSA-N 446.572 5.237 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CNc2cccc(C)c2)cc1 409111401 AJKREWSTWCIURG-UHFFFAOYSA-N 446.366 5.446 0 40 IKAB CCOc1c(I)cc(CNc2cc(Cl)ccc2C)cc1OC 409114039 KFYKWWWUSGGJLQ-UHFFFAOYSA-N 431.701 5.272 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409119289 SPKOZQXUMGVPQY-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCc1ccc(NCc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 409120319 TWCLFUHDUUNMMZ-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)cc1OC 409173283 ONNSZGSXXPGYIO-UHFFFAOYSA-N 427.566 5.044 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(CCc2ccccc2)n1-c1ccc(C)cc1 409210646 JXSWCNPVABXRBB-UHFFFAOYSA-N 436.625 5.102 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C)c(Cl)c3)[C@@](O)(C(F)(F)F)[C@H]2C1 409342369 BQABZZAENBIRHY-SIFCLUCFSA-N 430.898 5.564 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 674154 ADKQNLOAZUWWLO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccc([C@@H]2CC(=O)N2C2(C(=O)Nc3ccc(C)cc3)CCCCC2)cc1OC 720429 QHVFAXIBHQTGID-NRFANRHFSA-N 436.552 5.017 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)c(C)c1 884520 KEJXQZZNYDYPHA-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB CCOC(=O)c1c(N)oc2c(-c3ccc(Cl)cc3)c3c(C(=O)OCC)c(N)oc3cc12 1067859 ZIEXYWMHBUHJMQ-UHFFFAOYSA-N 442.855 5.017 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccsc2)N2CCOCC2)cc1 1236179 FTUIHSZENVVENA-OAQYLSRUSA-N 442.606 5.109 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(C)cc3)C3CCCCC3)cc2c1 1360953 SWVCGVYCUCJYBK-UHFFFAOYSA-N 433.552 5.602 0 40 IKAB Cc1sc(NC(=O)Cc2cccs2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 1366388 OTWPGUSJHLZYQX-ZDUSSCGKSA-N 437.590 5.049 0 40 IKAB c1ccc(COc2ccc3[nH]cc(CCN(Cc4ccccc4)Cc4ccccc4)c3c2)cc1 1641392 RBQTUVBOTSEYQB-UHFFFAOYSA-N 446.594 6.992 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(Cl)cc3)cc12 1776569 CRBMMWMUTGTTEL-UHFFFAOYSA-N 436.891 6.518 0 40 IKAB biogenic CCC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](C)C3)cc1 2183500 PLFJJXVLJSSGHX-DLBZAZTESA-N 443.609 5.971 0 40 IKAB CC[C@@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 2274714 NTPVNNGNFGYPRG-FESMNKHTSA-N 426.604 7.212 0 40 IKAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(Br)c2)cc1OC 2275117 XTUAQMYHMGMBNA-OAQYLSRUSA-N 439.309 5.237 0 40 IKAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@@H]1c1ccc2c3c(cccc13)CC2 2283975 XJTHKHDUTWXZCP-RUZDIDTESA-N 431.582 5.528 0 40 IKAB O=C(NCc1cccs1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 2305483 TVPBGVRLADZYID-HOCLYGCPSA-N 440.878 5.188 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)c(F)c1 2625490 URNYJNQZTQXVCY-UHFFFAOYSA-N 445.878 5.493 0 40 IKAB CCOc1ncccc1C(=O)Nc1cc(C(F)(F)F)ccc1Oc1cccc(OC)c1 2634567 PJMRSLPEYRWEPB-UHFFFAOYSA-N 432.398 5.552 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 2679483 CZMOOGJFOVDIBV-UHFFFAOYSA-N 426.994 6.399 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)n2)cc1 2755526 QITZFBWGQLGXPS-OALUTQOASA-N 429.564 6.613 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(COc3ccc4c(c3)CCC4)o2)N=C1S 2791799 PFYPTQMGZJZTMD-WMWHPZEKSA-N 444.556 5.577 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)cc1 3146026 JATZHDJBTSFOSW-UHFFFAOYSA-N 445.559 5.987 0 40 IKAB O=C(O)c1cc(-c2ccccc2)c(-c2ccccc2)cc1C(c1ccccc1)c1ccccc1 4887068 MJPKHNITVMAQDR-UHFFFAOYSA-N 440.542 7.899 0 40 IKAB Cc1cc(C)c2c(CC(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)coc2c1 8612047 VJCYOZYGMODZQD-UHFFFAOYSA-N 441.458 6.347 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 8871870 LNHVGCLCTVXGPH-KRWDZBQOSA-N 441.593 6.092 0 40 IKAB O=C(CSc1ccccc1C(=O)N1CCc2ccccc21)NC12CC3CC(CC(C3)C1)C2 8881176 DPKQVMQETFDCLH-UHFFFAOYSA-N 446.616 5.067 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 8921314 BSAOIUMWCRIMMS-UHFFFAOYSA-N 443.576 5.035 0 40 IKAB Cn1c(NC(=O)c2ccc(F)cc2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 9130780 UOULRAVOTURBGC-UHFFFAOYSA-N 441.289 5.904 0 40 IKAB CCOc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1OCC 9442848 LPJMILZHIOPLMO-UHFFFAOYSA-N 446.576 5.727 0 40 IKAB C[C@@H](c1nnc(SCC(=O)c2ccccc2F)n1-c1ccc(F)cc1)N1CCCCC1 9468710 QNTAFWVFUMZWTD-INIZCTEOSA-N 442.535 5.067 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)c1 9518418 CZZJXLPQIBVIBW-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9525788 VWANAJXINXQKSW-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c2ccccc21 9635354 DMCMNOAXTCRLRJ-UHFFFAOYSA-N 426.303 5.075 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 9669502 UZUWXYBFUAHEDC-UHFFFAOYSA-N 438.597 6.206 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)C(C)C)cc3)n2)cc1 10253559 IEAZFHAJPVTJED-UHFFFAOYSA-N 444.578 5.033 0 40 IKAB C[C@@H]1S[C@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccccc2)C1=O 12417007 BCXVBOSDFJJECZ-UPCLLVRISA-N 434.948 5.208 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12 12639757 IBXJLSSEIMQSOD-MRXNPFEDSA-N 426.472 5.857 0 40 IKAB COc1cc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)ccc1OCC(C)C 12694661 AJMNJRYIQZYBAA-UHFFFAOYSA-N 443.594 5.435 0 40 IKAB Cc1cc(C(=O)Nc2ncc(Cc3cccc(C(F)(F)F)c3)s2)c2ccccc2n1 12861397 NVBCWCOWZRIIAP-UHFFFAOYSA-N 427.451 5.862 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2sc(-c3ccc(Cl)cc3)nc2C)c(C)c1 12980764 HNGHKSPFIIFUJB-UHFFFAOYSA-N 441.984 5.408 0 40 IKAB CCn1c(S[C@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O 13005724 USHNEJXAZKYULX-LLVKDONJSA-N 432.596 5.566 0 40 IKAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 13112740 QLRGCORIFZDLCF-NRFANRHFSA-N 448.592 5.294 0 40 IKAB CCC(C)(C)Nc1c(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)nc2ccccn12 13563561 KPZUZBKRCLCUDF-UHFFFAOYSA-N 447.970 6.899 0 40 IKAB Cc1ccc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628171 NDCMDPIUVZWQRF-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)c1ccc(F)c(F)c1 14069756 ZOWBKARPXLOHCS-AWEZNQCLSA-N 425.460 5.228 0 40 IKAB Cc1csc(N(C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)c2ccccc2)n1 14586707 BJKVTUNKUYLEDE-OUKQBFOZSA-N 431.561 5.068 0 40 IKAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 15413149 IQWVQKGFSNOJDQ-VWLOTQADSA-N 430.573 5.455 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)c2c[nH]c3ccccc23)cc1OC 16176381 WRQKWKBQJBCBLA-OAQYLSRUSA-N 432.495 5.276 0 40 IKAB CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1 16741858 QIAMKXBQHXBJRD-DEOSSOPVSA-N 427.475 5.548 0 40 IKAB Cc1cc(N2CCCCC2)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 17013425 BNQWSLVTEALRKC-UHFFFAOYSA-N 437.547 5.924 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2cccnc12 18033487 TZTZHUYTZKHNCN-PZXVYJQKSA-N 430.507 5.478 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373082 FAPXDDXQNXURCY-FGZHOGPDSA-N 439.563 5.345 0 40 IKAB COc1ccc([C@H]2C[C@@H]3NC(=O)CCC[C@H]3N2Cc2ccc(OC3CCCC3)cc2)cc1 19713918 DKEYXBBWCGRPJS-JIMJEQGWSA-N 434.580 5.001 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1C 19938407 XFLUGLXYJDNKJQ-HXUWFJFHSA-N 430.957 5.285 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20042263 AOTKJOZNUUHWMC-SIBVEZHUSA-N 430.573 5.260 0 40 IKAB CC(C)(C)CC(C)(C)NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22076252 CQNDTUMINYHVTB-UHFFFAOYSA-N 444.446 8.030 0 40 IKAB C[C@@H]1CCC[C@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)[C@@H]1C 25397561 IYHXKSRTJBSOST-OPYAIIAOSA-N 436.625 5.427 0 40 IKAB COc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)c(OC)c1 27525169 RTNNIXOMVFHSTC-MUUNZHRXSA-N 443.567 5.021 0 40 IKAB CC(=O)c1cnc2sc(C(=O)N(CCc3ccccc3)Cc3cccs3)c(C)c2c1 31652992 ZVDFONVNLLSQJW-UHFFFAOYSA-N 434.586 5.754 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)OCC(=O)Nc1c(C(C)C)cccc1C(C)C 32936199 MJWTUOZXHZYQIO-UHFFFAOYSA-N 440.565 5.683 0 40 IKAB Cc1cccc(C)c1Nc1c(-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)nc2cnccn12 35622671 PKAVFEVICNJYEB-UHFFFAOYSA-N 442.607 7.057 0 40 IKAB C=CCOc1ccccc1/C=C1/S/C(=N/c2ccc(Cl)cc2C(F)(F)F)NC1=O 35644834 PACKNLOLJINWJE-LICLKQGHSA-N 438.858 5.815 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@@H](c2cccc(Br)c2)N1CCc1ccccc1 40485596 MAEXSZMADDJJRE-JOCHJYFZSA-N 434.333 5.544 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1ccc(Cn2ccnc2C)cc1 44854574 PWWHHCKZKRKINC-UHFFFAOYSA-N 447.922 5.946 0 40 IKAB COc1ccc(NC(=O)c2nn(-c3ccc(Cl)cc3)c3c2CCCCC3)c(OC)c1 48309760 DQQBGDDJNVHFKK-UHFFFAOYSA-N 425.916 5.064 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1OC 49005039 ANNNUJDPZNOTBY-KRWDZBQOSA-N 438.959 5.749 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc(-c2cccnc2)n1 49007076 YEQUKDVQPMKARK-UHFFFAOYSA-N 438.862 5.250 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccnc3Cl)o2)cc1Cl 57315962 CFCMFAIZJHTQAW-VQHVLOKHSA-N 432.332 5.483 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)c2)oc1C 58369367 YFBYYGUXMADEBV-UHFFFAOYSA-N 431.106 6.219 0 40 IKAB O=c1c2ccccc2c(-c2nc(-c3cccc(C(F)(F)F)c3)no2)nn1-c1ccccc1 64949574 LBCPJTZWHQXTGJ-UHFFFAOYSA-N 434.377 5.122 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339909 HDSNBBOLWUTJPG-PKNBQFBNSA-N 442.309 5.804 0 40 IKAB C[C@@H](NC(=O)CNC(c1cccs1)c1cccs1)c1ccc(Br)cc1 72308150 HSVWUCVZJVWMIG-CYBMUJFWSA-N 435.412 5.129 0 40 IKAB Cc1nc(-c2ccc(Cl)s2)sc1C(=O)Nc1cccc(CN2CCCCC2=O)c1 84064663 RTVUQXXSPLAFAO-UHFFFAOYSA-N 445.997 5.598 0 40 IKAB Cc1cc(-c2nnc(CSc3nnc(-c4ccoc4C)n3Cc3ccccc3)o2)c(C)o1 89582236 OPGMKPZKMFLLJR-UHFFFAOYSA-N 447.520 5.447 0 40 IKAB C[C@H](CC(=O)N1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1)c1ccccc1C(F)(F)F 89894497 POIVXTZYQARGFW-ACWOFJMJSA-N 445.403 5.552 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037890 NPZJAGUQWQMWSL-UHFFFAOYSA-N 439.540 6.281 0 40 IKAB CCCc1noc([C@H](C)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 97002866 LZJRVRFCGSWAEH-FHHIAAGZSA-N 436.512 5.399 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@@H](c3cccs3)C2=C(O)C1 100141914 OKEJNLLYRTVSRU-DEOSSOPVSA-N 428.557 6.854 0 40 IKAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 101715039 LFHRIHWUOKXWMB-MBSDFSHPSA-N 440.012 5.083 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102518740 RQSKSUQUROCAQH-HTUUBCJYSA-N 431.532 5.129 0 40 IKAB Cc1cccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1C 107900931 PPFAXQMBSVXLNZ-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c(Cl)c1 216485558 RRGCXCVEXBTQJQ-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB CC(C)c1ccc(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 222379590 LEXUVHCITYIHID-UHFFFAOYSA-N 443.396 5.302 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223115359 JCPBMYCAQSZADH-DHIUTWEWSA-N 447.560 5.345 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(Cl)cc2Cl)cc1 223657558 WISRADMXPCHXHS-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223779731 YOTPJFRIBXHCFV-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(OC)cc3)cc2)cc1 223984369 XFCWIRWGZQPFNV-UHFFFAOYSA-N 438.549 5.091 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 224364113 QSYNIMBHPHGVLX-XMMPIXPASA-N 436.577 5.091 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccc(F)cc1 224528004 FBBFXVFXHBSIRS-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)ccc1F 224906646 UPMCMSPPDNSFED-BJKOFHAPSA-N 446.526 5.636 0 40 IKAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225064159 MJOYAZIFSXUOHF-HSZRJFAPSA-N 442.603 5.195 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@@H]4C)cc3)CCCC2)c1 225510374 WLPYOVNXHPVZNT-QHCPKHFHSA-N 434.624 6.089 0 40 IKAB S=C(Nc1ccc(Br)c(Cl)c1)NC(c1ccccc1)c1ccccc1 225519090 CEHFMEGDOXPURW-UHFFFAOYSA-N 431.786 6.179 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225585264 CVTFWRBIWAYQDI-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 225603004 FGUYNQHASMOHBN-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 225665123 FOXVPPPLGNMKTQ-XXBNENTESA-N 444.616 5.089 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@@H](C)n3cnc4ccccc43)CC2)nc1 257332859 XZAPDLPOCGCXGV-OAQYLSRUSA-N 438.575 5.298 0 40 IKAB CCCCc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257340646 ZHARGMARRJTGII-NRFANRHFSA-N 426.948 5.352 0 40 IKAB CN(C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 408734646 BEUDCVNLMGBGFF-UHFFFAOYSA-N 447.563 6.764 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408771449 GMXHZPGJEBZWCX-AREMUKBSSA-N 430.573 5.837 0 40 IKAB O=C1S/C(=C/c2cccn2-c2cccc(Br)c2)C(=O)N1CC1CCCCC1 409148639 ZBPQKLJBQGGQPC-CPNJWEJPSA-N 445.382 5.856 0 40 IKAB CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)cc(Br)c1O 409237397 WMFVDTNVSAZSEU-UHFFFAOYSA-N 434.399 5.184 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 409341255 APISNTPNQUBRQW-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409364837 MXDGFKAXNURDDX-JAIQZWGSSA-N 429.925 5.294 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3sc4cccc(Cl)c4c3Cl)s2)cc1 526052462 QEKBGKFQUCNYSH-UHFFFAOYSA-N 436.345 5.988 0 40 IKAB CC[C@@H](/C=C/[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@@H](O)C=C4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(C)C 1078028182 DPNNWDOFSGOYEK-PPCLGOQISA-N 428.701 6.772 0 40 IKAB biogenic COc1ccc(/C=C2\NC(=S)N([C@@H](C)c3ccccc3)C2=O)cc1COc1ccccc1 655690 YAKAUQVPFDYFHK-PAJXCOJRSA-N 444.556 5.093 0 40 IKAB CC(=O)c1ccc(NC(=O)/C(=C\c2ccc(OC(C)C)cc2)NC(=O)c2ccccc2)cc1 822317 XPRHHPBXCXYBEA-KOEQRZSOSA-N 442.515 5.086 0 40 IKAB Cc1cc2cc(CN(CCc3ccccc3C)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1C 1371185 YUVDUIOFOOCXDN-UHFFFAOYSA-N 439.559 5.730 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C)c1-c1ccc(Cl)cc1 1791059 WZSXZDSIMBDBBT-UHFFFAOYSA-N 434.344 6.459 0 40 IKAB Cc1cccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)c1 2111728 APPASPBEFPFHKC-BDYUSTAISA-N 449.554 6.083 0 40 IKAB biogenic COc1ccc(-c2cc(OC(=O)c3ccc(Cl)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2152942 XBNXXYHHAGBLRK-UHFFFAOYSA-N 434.875 5.958 0 40 IKAB biogenic Cc1nc2c(-c3ccccc3)c(C)nn2c(SCc2ccccc2)c1Cc1ccccc1 2224056 MQQGWYIVEWQUDX-UHFFFAOYSA-N 435.596 6.896 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 2347990 PSQZGUYDBAEJPG-UHFFFAOYSA-N 447.535 5.577 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c(O)c2)cc1 2443959 KCPUKMLXYZUJKD-UHFFFAOYSA-N 429.907 5.974 0 40 IKAB biogenic O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)NCCC1=CCCCC1 3227501 VCBAQWUZTHLTQV-UHFFFAOYSA-N 436.556 5.172 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCCNC3CCCCC3)cc12 3280035 WHJUAEYZBIDUHZ-UHFFFAOYSA-N 431.005 5.091 0 40 IKAB CC(C)(C)c1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)cc1 3320492 GBYSCWURWLDWIN-UHFFFAOYSA-N 433.371 6.001 0 40 IKAB Cc1ccccc1Cn1cc(SCC(=O)Nc2nc3ccccc3s2)c2ccccc21 3581702 GRYNPNWECNAXJF-UHFFFAOYSA-N 443.597 6.339 0 40 IKAB O=C(NCCCCCN1CCC2(CCCCC2)CC1)[C@@H](c1ccccc1)C1CCCCC1 5941183 SFSBYBMQEOXDPV-MHZLTWQESA-N 438.700 6.683 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Cl)cc1)C[C@H](C(C)(C)C)CC3 8870298 NDAUSSIBTZHZIR-OAHLLOKOSA-N 431.985 6.346 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903937 KGZIZRJRTDXMNW-INIZCTEOSA-N 446.503 5.942 0 40 IKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)o3)cc21 8959969 ZCAMDAFBSHMTRJ-UHFFFAOYSA-N 449.345 5.092 0 40 IKAB O=C(c1ccccc1)c1c(-c2ccccc2)c2c(=O)[nH]c3ccccc3n2c1-c1ccccc1 9357865 VAVNDIAPBWDINT-UHFFFAOYSA-N 440.502 6.346 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 9428575 NDBXGCMXJWOHMA-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CC(=O)c1cccc(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c1 9576368 PBGVFDBLHYTGDO-UHFFFAOYSA-N 443.455 5.114 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1F 9846241 VDKZRHLACHIRNV-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C(C)C)cc3)c3ccccc3c2=O)cc1 9855621 XWGIGFUQUQPYIM-UHFFFAOYSA-N 438.527 5.303 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)Cc4cccs4)n3)ccc21 12220037 PZHYXDZWYTVPFZ-UHFFFAOYSA-N 439.606 5.012 0 40 IKAB C[C@@H]1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 12565604 DHIZINIRMKSOBY-NSHDSACASA-N 433.762 5.031 0 40 IKAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 12569331 BUOCVPOHOPHCNL-FQEVSTJZSA-N 432.332 5.084 0 40 IKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN[C@H]1CCCc2c1[nH]c1ccc(C)cc21 12864267 MMPRIJBNPCMKRF-RUHCJFLHSA-N 432.608 5.902 0 40 IKAB biogenic C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 12942162 DSWMESGZVMJEGL-GOSISDBHSA-N 446.551 5.276 0 40 IKAB CCc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccc(OC)cc1 13026628 QFNYZONCOYTGHU-RUZDIDTESA-N 446.547 5.298 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1cccc(Br)c1 13602409 TWJJZVLXTVJOPY-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl 13995223 UBLNCNSKHJWTLR-RNODOKPDSA-N 443.956 5.122 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)cc1C 14154767 BVORBQABCVOKBV-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(CC)ccc4o3)c2)cc1 14270312 PHJRJNUEDIFBHT-UHFFFAOYSA-N 445.544 5.452 0 40 IKAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@H](c1ccccc1)c1cccs1 14670853 OFAYBEXHISKISS-RPLLCQBOSA-N 426.585 5.527 0 40 IKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1ccccc1COc1ccccc1 15583797 MYYJXZWWTVJKOJ-UHFFFAOYSA-N 426.541 6.205 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(I)cc3)nc2cc1Cl 16284220 WUHWODLMKPDCDZ-UHFFFAOYSA-N 428.682 5.115 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)Cc4ccccc4)c3)nc2c1 16611039 GYYPXJNDFGSTHF-KRWDZBQOSA-N 443.572 6.064 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17100987 CWNWYNNPCRFJJA-UHFFFAOYSA-N 436.964 7.048 0 40 IKAB Cc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(C(C)(C)C)cc1 17124364 MJWLCFGIRAYBEA-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cc(OC)cc(OC)c2)n1 19525602 VCITUVJRHXPBAT-DEOSSOPVSA-N 432.568 5.236 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20038314 YFMIMZINTVDSIH-UHFFFAOYSA-N 442.968 5.518 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 20486472 NCIJKTZTONWRNL-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CC(=O)N(c1nc(COC(=O)/C=C/c2ccsc2)cs1)c1c(C)cc(C)cc1C 22060002 MBFGBVPKHZZSPB-AATRIKPKSA-N 426.563 5.571 0 40 IKAB C[C@H](NCc1cc(Br)ccc1OCc1ccccc1Cl)c1ccccc1 22074163 GJLAWZYMGGILIF-INIZCTEOSA-N 430.773 6.532 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255850 KFTJMFIXOPXCLI-GGAORHGYSA-N 446.595 5.397 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1 22392948 VULBHOZNFVZLAT-UHFFFAOYSA-N 446.569 5.153 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(-c4ccc(Cl)cc4)nn3)C2)cc1 22482985 NARWGPJLQATHRL-OAQYLSRUSA-N 448.998 5.995 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCO4)c12 29797003 ABIQMEORTOLHCE-GOSISDBHSA-N 447.516 5.008 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F 32074296 OCUVBIHPHBJQQR-MRXNPFEDSA-N 448.832 5.702 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1Cl 34933493 CFBQZWSKOOMSNX-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cc(Cl)ccc2Cl)o1 35103661 OBBMCYYGWVRFOX-UHFFFAOYSA-N 435.738 6.759 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 38834482 WCYJHIYVBTZZLS-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O[C@H]2c1ccccc1 39580841 IBONGHOLTHILSV-NRKQVIEJSA-N 445.562 6.387 0 40 IKAB Cc1cc(C)c2cc(C(=O)OCc3csc(CC(=O)Nc4ccccc4C)n3)[nH]c2c1 40018129 JWDJBDUGQQHWSD-UHFFFAOYSA-N 433.533 5.088 0 40 IKAB Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44842380 QZWSRRLFPKCGRX-UHFFFAOYSA-N 444.575 6.179 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)cc1 44974467 DPKFOBVRPWWDHS-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB c1ccc(-c2[nH]c3ccccc3c2C2N(c3ccccc3)CCCN2c2ccccc2)cc1 59488026 WPKNKZSZGSSZKJ-UHFFFAOYSA-N 429.567 7.250 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1Cl 65492315 PPOJLIBNCIMIRP-UHFFFAOYSA-N 444.922 5.463 0 40 IKAB Cc1nc(C(=O)N2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)co1 72350470 UBHROYPJQXIFBG-UHFFFAOYSA-N 429.442 5.007 0 40 IKAB COCc1cc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C 72375844 BCVAAKQKDOUWMU-NRFANRHFSA-N 438.597 5.552 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(OC)cc2)cc1 101329297 UDCRKUKOUNQICQ-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OCC 106689459 JASYZFHNVIGXNY-STZFKDTASA-N 429.513 5.640 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)cc1 106702512 FFICOWGFGOFGAY-NDENLUEZSA-N 443.446 6.510 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1 107914759 DKAHEKWJSLOLCS-UHFFFAOYSA-N 428.351 6.113 0 40 IKAB Cc1ccc(N2CCC(C(=O)NCCSCc3c(Cl)cccc3Cl)CC2)cc1 219854347 WYISTUULGHABTB-UHFFFAOYSA-N 437.436 5.568 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccccc2Cl)no1 222729633 YEPXZUWJCQHASS-UHFFFAOYSA-N 442.755 5.246 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 223083143 YYAYSOFZJRDNRM-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 223134895 QYNYVHUWPMRGGW-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 223302071 CLFYLNFNUNSYAJ-DEOSSOPVSA-N 446.591 5.249 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](CC)C(=O)NC)cc1 223364481 XWGOTFQJMPTEKP-OAQYLSRUSA-N 435.395 5.042 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223814914 VLDUYTIKZJWRKU-SFHVURJKSA-N 445.028 5.298 0 40 IKAB Oc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224473789 KJUHPPKYSFGHBF-XZOQPEGZSA-N 446.963 5.408 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 224972032 BBFYGQOGMBPALC-UHFFFAOYSA-N 434.539 5.507 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)c(C)c1 225768572 YMSSJSUIVWZRIP-NRFANRHFSA-N 443.385 6.281 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 253505366 JVRUDYNTKOCRNP-CEEQCLHFSA-N 436.592 6.107 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@H]3C=CCC3)CC2)on1 257211568 BZJSCPSCOYZACM-UFYCRDLUSA-N 436.600 5.484 0 40 IKAB CCc1cc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)no1 257232539 GLHLXYJFFFNNNI-GHTZIAJQSA-N 444.959 5.062 0 40 IKAB O=C(C1CCCCC1)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257257276 KOVWMZARKMJIMY-NRFANRHFSA-N 430.514 5.978 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)c2)cc1 257310821 UGTMDZMITDCRRJ-HXUWFJFHSA-N 446.595 5.116 0 40 IKAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)cc2C)cc1)S(=O)(=O)c1ccccc1 260561304 BPLCKPWDEQLRMQ-HXUWFJFHSA-N 436.577 5.010 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c(C)c1 408639605 GEWZWAGROVGOKD-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408751033 VPMFUBLSZPYDKB-AFHBHXEDSA-N 436.533 5.039 0 40 IKAB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1Cl 409009111 BLKRRTYPENSVHU-NDENLUEZSA-N 443.355 6.329 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1CC1CCCCC1 409124588 JVAAXVUEUBMEOT-HYARGMPZSA-N 425.525 6.021 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)cc(Cl)c1OCc1ccccc1 409140488 FNEBRKOHFYZFOI-CPNJWEJPSA-N 447.940 5.000 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)Nc1cccc(Cl)c1 409169469 PYDGUTWARPDLNM-NVNXTCNLSA-N 440.830 5.034 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409176804 YJBHMLGRMNCRMI-NTEUORMPSA-N 447.343 5.446 0 40 IKAB Cc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(C)nc3Cl)cs2)cc1 585295332 VNXFOVRCEOQFNQ-LJQANCHMSA-N 426.973 5.398 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037846765 YGHXXHBBWLQCFR-QGZVFWFLSA-N 437.902 5.559 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C[C@@H]1CCCO1 894931 OUVSEAYEADJGBC-QFIPXVFZSA-N 449.620 5.085 0 40 IKAB Cc1sc(NC(=O)CCc2ccccc2)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 1366282 JBOHWGQWQWIJSE-INIZCTEOSA-N 445.588 5.377 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)(C)C)c3)nc2c1 1859697 OJTCBUPOGPSUGD-ZDUSSCGKSA-N 444.000 6.521 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)c3ccc(Cl)cc3)ccc12 1893454 BWZHGUOQSCMRPB-UHFFFAOYSA-N 432.903 5.916 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cc1OC 1904251 ZKCGHHIYGYJRGM-NTUHNPAUSA-N 440.540 6.179 0 40 IKAB Cc1ccc([C@H]2C(/C=C3/SC(=S)N=C3O)=C(c3cccs3)Oc3ccccc32)cc1 2054399 XRSJPTLZINOZRY-NNVROAHOSA-N 447.606 6.864 0 40 IKAB CCOc1ccc(C(=O)N2c3c(C)cccc3-c3c(ssc3=S)C2(C)C)cc1 2230116 LCIGSQRAQXWKQF-UHFFFAOYSA-N 427.616 6.809 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1 2414082 LDXBEQKUVFKYKI-JMIUGGIZSA-N 425.818 5.542 0 40 IKAB O=C(COc1ccc(F)cc1Br)Nc1ccccc1Sc1ccccc1 2646290 WJZCLLUAFNLRBG-UHFFFAOYSA-N 432.314 5.757 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn(-c2nc(-c3ccccc3)cs2)c1-c1ccc(F)cc1 2733480 LRRGBHFBSYKOAZ-UHFFFAOYSA-N 429.495 6.916 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2C(=O)OC)C1 2745579 RZDNFAUHZUVSHY-CQSZACIVSA-N 429.538 5.057 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 3012771 KTFLEGVYMUZVHD-ROUUACIJSA-N 434.849 5.758 0 40 IKAB CC(=O)Nc1ccc(Oc2nnc(Oc3ccc(NC(C)=O)cc3)c3ccccc23)cc1 3238059 FFVYMCMDRKSBPA-UHFFFAOYSA-N 428.448 5.131 0 40 IKAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)C12CC3CC(CC(C3)C1)C2 4575888 RSQGAEHNYWFBPY-UHFFFAOYSA-N 432.608 5.996 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 4848527 CMSLHIBDCXHFBC-VWLOTQADSA-N 427.548 5.227 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cc(C)cc2Cl)cc1 8708811 IJCBDFWLSYKLCL-UHFFFAOYSA-N 442.968 5.424 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)c1 9176298 HTVPLENHJRICLH-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)c1 9282683 JVUZEWLZNGJSAM-QHCPKHFHSA-N 444.918 6.023 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2ccc(Br)cc2)o1 9296157 OHGYYUWEOSQTTM-AQTBWJFISA-N 445.382 5.442 0 40 IKAB c1cncc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2cccnc2)c1 9433903 JFPMSGBCNLKHCQ-NRFANRHFSA-N 428.455 5.020 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)n2)cc1 9441889 ALOGMAYBDITZII-UHFFFAOYSA-N 437.590 5.085 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 9463694 BYLQPDGGNYPKOA-WIYYLYMNSA-N 445.263 5.871 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccnn1Cc1cc(Br)cs1 9504049 UPNNGSGABYBVGW-UHFFFAOYSA-N 426.339 5.090 0 40 IKAB Cn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nnc1-c1ccco1 9782890 XQSCRUPYEKHQEK-SFHVURJKSA-N 448.573 5.047 0 40 IKAB COc1ccc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)cc1OCc1ccccc1 9805827 SHRXQOUCYDEDRT-UHFFFAOYSA-N 443.503 5.016 0 40 IKAB O=C(Cc1csc2nc(-c3ccccc3)cn12)Nc1ccc(NC(=O)c2ccco2)cc1 10547961 VTGFTBCQOHOECW-UHFFFAOYSA-N 442.500 5.089 0 40 IKAB CCOc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 11689934 PYVLUDAWELZGAS-UHFFFAOYSA-N 439.475 5.035 0 40 IKAB O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)NCCC1=CCCCC1 12377050 WULFBDFLHSCWHZ-UHFFFAOYSA-N 443.576 5.043 0 40 IKAB O=C(Cn1c(-c2ccccc2Cl)nc2ccccc21)Nc1cc(Cl)cc(Cl)c1 12524842 XWRPHVLZSVZLIO-UHFFFAOYSA-N 430.722 6.302 0 40 IKAB CCOc1ccc2nc(Sc3ncnc4scc(-c5ccc(C)cc5)c34)sc2c1 12549902 QKANJWAXTPZGLQ-UHFFFAOYSA-N 435.599 6.826 0 40 IKAB c1ccc(-n2cc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)c(-c3cccs3)n2)cc1 12559501 IFGSUKJQXHQCDU-HHHXNRCGSA-N 445.551 6.590 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cc(C(C)(C)C)ccc2OC)c1C 12569413 YXJRLZKJGDTIIR-UHFFFAOYSA-N 434.536 5.207 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)c1 12704766 YKBBOOWRDUFWQH-UHFFFAOYSA-N 445.607 5.540 0 40 IKAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 12789063 XZCYRINLKFWZBT-UHFFFAOYSA-N 449.313 5.135 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)c2ccc(Cl)c(Cl)c2)nc1-c1ccccc1 12823502 FIXAUJPYUYKYPG-UHFFFAOYSA-N 429.332 5.770 0 40 IKAB CCc1ccc(-c2nc(C)c(C(=O)N(C)CC(=O)Nc3c(C)cc(C)cc3C)s2)cc1 12979735 CNBDTENCYHSBNK-UHFFFAOYSA-N 435.593 5.317 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)Nc3ccc(Br)cc3F)c12 12993046 MSSNKJQAJYXGOI-UHFFFAOYSA-N 432.274 5.414 0 40 IKAB CCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 13097209 QGDPRRNGDUTUBM-UHFFFAOYSA-N 446.931 5.485 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 13133671 NDARXNQIFZPRFA-SFHVURJKSA-N 432.545 5.558 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 13625256 RSKCTAFSKUTHIO-UHFFFAOYSA-N 447.347 5.286 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccccc1CCc1ccccc1 13688414 VXDSNQQYAPAPLF-UHFFFAOYSA-N 439.942 6.609 0 40 IKAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1=CCCCC1)c1ccccc1Cl 14171423 NPTQRLQFJHKDFX-XMMPIXPASA-N 449.982 5.169 0 40 IKAB Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@H](c2ccccc2)C1=O 15412408 WFZWLAXJYZUBNU-HSZRJFAPSA-N 449.348 5.187 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)/C=C/c1ccc(F)cc1 15913980 ACFQGTHJRUCKFW-XYOKQWHBSA-N 444.915 5.240 0 40 IKAB CN1c2ccc(Cl)cc2[C@H]2c3ccccc3CCN2[C@@H]1c1ccc(Br)cc1 15981517 AMGMZTUVAGELMP-DHIUTWEWSA-N 439.784 6.199 0 40 IKAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196305 BWNNKPIZXIHJEG-NRFANRHFSA-N 432.347 5.404 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)c1nnc2n1CCCCC2 16769249 KJKCNYADFNCAAN-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2cccc(OC)c2)c1-c1ccc(OC)cc1 17095950 CXGBZAXJBBMZPT-UHFFFAOYSA-N 428.532 5.854 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2c3c(cccc13)CC2 17098747 RNJHHMNHCXZWTI-UKTHLTGXSA-N 434.322 7.157 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 18832849 UYOATYGKVMSQAK-UHFFFAOYSA-N 445.950 6.038 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19081912 WQCKZFODFKODBS-NVQXNPDNSA-N 449.639 5.519 0 40 IKAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)c3sc(C)nc3C)CC2)n1 19691662 XPGIOOVIISSWQY-UHFFFAOYSA-N 441.547 5.352 0 40 IKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(CCc1ccc(Cl)cc1)CO2 19890917 OLKXYKBQMRVCJS-UHFFFAOYSA-N 431.919 5.816 0 40 IKAB biogenic CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 20493879 VLHAEXNGHOSRCR-IGKIAQTJSA-N 444.600 5.650 0 40 IKAB CCc1cccc(-n2nnc(-c3nsc(NC(=O)c4ccc(C(C)(C)C)cc4)n3)c2C)c1 20848745 OXAWUOKZPDRJNR-UHFFFAOYSA-N 446.580 5.206 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 21305644 DODCVAZBEAZWCN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)cc1 25480300 VBMWNXJEBZBPHG-NRFANRHFSA-N 449.598 6.559 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 27789053 MWMCVVCZTIECAQ-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(-c4cccc(F)c4)s3)cs2)CC1 27913849 ARUNTHFJEGJMCZ-UHFFFAOYSA-N 442.625 7.613 0 40 IKAB CC(C)(C)c1nc(CSc2nnc(Nc3cccc(Br)c3)s2)no1 28015419 HSENLEFTXNKYLC-UHFFFAOYSA-N 426.365 5.017 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(F)cc4)cs3)[C@@H](c3cccs3)C2)cc1 28062362 JFXOVSMPIUKJIQ-OAQYLSRUSA-N 435.549 6.375 0 40 IKAB CCOCc1ccccc1CNC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 30180280 JJXMHAHGPONGOD-UHFFFAOYSA-N 427.500 5.235 0 40 IKAB O=C(Nc1cc(C(=O)N(Cc2ccco2)Cc2ccco2)ccc1Cl)c1cccs1 30471983 JGSVHSSCRAWRTD-UHFFFAOYSA-N 440.908 5.682 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@@H](CC[C@@H]5[C@@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 30729140 BZNIIOGSANMIET-HRQAAHFGSA-N 442.728 7.238 0 40 IKAB in-vitro S=C(c1cc(Br)ccc1OCc1ccc(Cl)cc1Cl)N1CCCC1 33369945 CQZIERUHLIYASX-UHFFFAOYSA-N 445.209 6.106 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3c3ccc(C)cc3)c3ccccc3n2C)cc1 34887830 FTYUGJVPOBOKEE-SSEXGKCCSA-N 442.562 7.212 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1ccccc1 34897057 MQLSACSKOXFARZ-UHFFFAOYSA-N 448.426 5.834 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35269862 BEPKMLIHDONPIP-UHFFFAOYSA-N 448.906 5.572 0 40 IKAB Cc1ccc(Nc2c(-c3ccccc3O)nc3ccc(Cl)cn23)c(Br)c1 35616446 UPNNTMNYOVXEEO-UHFFFAOYSA-N 428.717 6.175 0 40 IKAB CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(F)cc4)csc3c2=O)cc1 38486546 RCEZXGPZGLPBFR-UHFFFAOYSA-N 435.524 5.245 0 40 IKAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)Nc1cccc(Cl)c1 44166389 XERLZHXDHRJXIE-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44937259 OAWKOMASGHVCLR-DEOSSOPVSA-N 429.004 5.464 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(Cl)c1 45891026 ZASOQIJCBHJZLO-UHFFFAOYSA-N 432.543 5.316 0 40 IKAB O=C(CN[C@H](c1ccc2c(c1)CCCC2)c1cccs1)Nc1ccccc1OC(F)F 57323005 QYLXPAJZUZTEPQ-HSZRJFAPSA-N 442.531 5.546 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@@H](c1ccc(F)cc1)c1cccs1 57541857 GZQOVTRWNODYQI-SZNDQCEHSA-N 432.948 5.564 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 67216962 ZSLSMICBKQNJBL-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB O=c1c2ccccc2nc(SCc2cc(F)ccc2F)n1Cc1ccc(Cl)cc1 67259588 DXRRLEDFHRSUKQ-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB CCc1nnc(-c2ccc(NC(=O)c3ccc(-c4ccc5c(c4)OCCO5)s3)cc2)o1 72304687 WKXXGLVPGIZYKP-UHFFFAOYSA-N 433.489 5.051 0 40 IKAB Cc1c(C(=O)N2CCc3nc(-c4cc(F)cc(F)c4)sc3C2)oc2c(F)cccc12 72392009 VXQXMCNQKNBFIN-UHFFFAOYSA-N 428.435 5.481 0 40 IKAB Cc1nc(-c2ccccc2)ccc1C(=O)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 84028870 VLWZHADCFBNYSA-UHFFFAOYSA-N 441.453 5.165 0 40 IKAB CC(C)Sc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3cccnc3)no2)cc1 96102968 HNCCEXJOSNRJJS-UHFFFAOYSA-N 444.560 5.404 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 106699717 RLDMOQPYHMTKSU-JMIUGGIZSA-N 445.371 6.595 0 40 IKAB COc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 107037773 YRYVDXFTCQCCFI-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCCC[Sn](CCCC)(CCCC)OC(=O)[C@@H](O)c1ccccc1 195998914 REVUKAJUTCFKFJ-HEDVWWMMSA-M 441.200 5.609 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCSC2CCCCC2)c1 223291538 OIOFBJPMLSSUPW-PGMHBOJBSA-N 428.623 5.010 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223703222 CMJLFTANKSMGGL-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224384529 DIXKDBAOOLDDNR-IZZNHLLZSA-N 444.648 6.689 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(C)cc1 224467989 FSZJTICMRVRXQM-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(Cc2ccccc2)CC1 224927517 WXYOBFSASLOSMT-UHFFFAOYSA-N 441.506 5.106 0 40 IKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1c(Cl)cccc1Cl 225364869 NXOJRYUILZDKEN-UHFFFAOYSA-N 446.378 5.932 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3C)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 225541745 WYHJCJDNJQEQBN-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1Cl 225549739 AXVHBWZFOSGJKU-UHFFFAOYSA-N 447.978 6.514 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225600696 LQOPDRIEJUVRIZ-UHFFFAOYSA-N 432.964 6.277 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3cccnc3)CC2)c1 257264303 LTUMAEXECQVTKF-UHFFFAOYSA-N 441.619 5.407 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@@H]3C[C@@H]21 257345092 ZZXPGTDJAKUMGZ-RBPBXQJFSA-N 441.955 5.178 0 40 IKAB S=C(NCc1ccco1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408578277 XCGGDUCJDUUKAC-UHFFFAOYSA-N 426.752 6.284 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c(C)c1 408641760 MRRGOORKDYRCAU-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659225 OWSIPKOUQNSWCL-PJYWLYPCSA-N 448.349 5.401 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)c3ccccc3n2)cc1 408669892 PLKBIDQWOZDZEW-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2ccccc2C)cc1 408698693 RKYDLWVGUDJCRA-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 408732154 SVDQIEKICFZSIO-CCSVULQMSA-N 429.519 5.585 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2cccc(C)c2)=N1 408988088 GVMLUNXAHAPSQL-DEOSSOPVSA-N 427.573 5.841 0 40 IKAB COc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 409108571 VGPNJRCOWRXOED-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB Cc1c(-c2nnc3sc(-c4ccccc4C(F)(F)F)nn23)cnn1-c1ccccc1 632865 QTMXMMZYIPLCMN-UHFFFAOYSA-N 426.427 5.033 0 40 IKAB Cc1ccccc1OCc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1C 933579 LIWPRPRXHHGTRJ-UHFFFAOYSA-N 444.560 5.160 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 1074908 LXVZIEXUIBRGSH-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB C[C@H](c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 1125090 LGZJDOMWASTSDR-MRXNPFEDSA-N 425.941 5.241 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)cc1 1356096 LKCAJPWCFMEJNK-UHFFFAOYSA-N 445.544 5.338 0 40 IKAB CC(C)CCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1837697 DBKPSVSOVFAEGV-UHFFFAOYSA-N 448.632 6.448 0 40 IKAB biogenic COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1946243 FRPINBZZMRIMFW-BLMSOEDDSA-N 431.985 5.991 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 2224780 OKCYDUACVOQWHA-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB CCCCCCNc1ncnc2c1sc1nc(CCCC)c3c(c12)CC(C)(C)OC3 2272619 GTOQCKYRDNVGAR-UHFFFAOYSA-N 426.630 6.426 0 40 IKAB CCc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2302892 AKYZILZKUDBFTM-UHFFFAOYSA-N 429.321 5.961 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)cc1C 2333919 NTOYMYKTYMWFGK-UHFFFAOYSA-N 446.576 5.914 0 40 IKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2441156 ICYRVHGVTYTZLN-UHFFFAOYSA-N 445.563 5.352 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(Br)cc2Br)cc1 2738605 LGTKUOFZBJTWRI-IZZDOVSWSA-N 437.175 6.161 0 40 IKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@H]3CCCc4ccccc43)c3ccccc3n2)cc1 2766933 SLWDKJXWVDWQAO-MHZLTWQESA-N 434.583 6.908 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)c1C 3008360 CYGWLMLQYTXSAC-UHFFFAOYSA-N 429.545 5.407 0 40 IKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C/c1cccc(OC(=O)c2ccccc2)c1 3672210 ZOSMDNNZZKSTQY-UDWIEESQSA-N 438.266 5.557 0 40 IKAB C[C@@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 4550905 MBIHVWFEQLQTFF-CJFMBICVSA-N 426.560 6.246 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1ccccc1 8445903 YVFINWWTYZFDPO-UHFFFAOYSA-N 440.362 5.873 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)Nc2nccs2)cc1 8684522 CWIBXZXADGPYFT-UHFFFAOYSA-N 436.562 5.248 0 40 IKAB aggregator Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 8721627 BXBBAFPZXRZCPD-UHFFFAOYSA-N 432.995 6.355 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1)c1ccccc1Cl 8735769 TWAQOTYUHWCICZ-HNNXBMFYSA-N 444.988 5.666 0 40 IKAB CCc1cccc2c(C3=Nn4c(nnc4[C@@H]4CCCO4)S[C@H]3c3ccccc3)c[nH]c12 8745058 MTIWRZGFHIXNLW-UGKGYDQZSA-N 429.549 5.273 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)nc3c2)cc1 8781083 UKJUBZQCODYRBG-UHFFFAOYSA-N 442.559 7.224 0 40 IKAB COc1cccc(-c2csc(-c3c(N)c(C(=O)c4ccc(C)cc4)n4ccccc34)n2)c1 8844874 PFFAEEMDQYABKE-UHFFFAOYSA-N 439.540 5.860 0 40 IKAB COc1cccc([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1OC 9122228 CWZAPYNKHJULQN-CQLKWFSRSA-N 426.516 5.403 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc(C)nc2ccccc12)c1ccccc1 9165974 UYWUGKSEGIRYAD-QHCPKHFHSA-N 429.545 5.809 0 40 IKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Cl)cc2)o1 9209653 DOWALOHIDSOVTB-UHFFFAOYSA-N 439.968 5.717 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC 9281960 KSAYBYAEGCENHQ-UHFFFAOYSA-N 436.895 5.699 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 9307345 FQOWXHPNZFMBPD-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(Cl)c4Cl)c(N)c3cc2C1 9428344 SFSBSGUSHSMQDM-GFCCVEGCSA-N 448.419 6.589 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3C)[C@H]2c2ccccc2)cc1 9868169 BZZLGSZBCLIJMW-RCZVLFRGSA-N 432.495 5.266 0 40 IKAB Cc1nc(COc2ccc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc2)cs1 10024128 JUWIDAMDWBPNHA-UHFFFAOYSA-N 449.601 5.660 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1 10042038 OSMOIUYVSFUQOJ-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NS(=O)(=O)c1ccccc1 10314553 SJEWTTUNHMCGSI-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cn1c(SCc2csc(C3CCCCC3)n2)nc2sc3c(c2c1=O)CCCC3 12427746 DSALWTZTYIYGOL-UHFFFAOYSA-N 431.652 5.670 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CNc4ccc(N5CCCC5=O)cc4)[nH]c(=O)c23)cc1 12537048 LFXAVONYFLGBGE-UHFFFAOYSA-N 444.560 5.007 0 40 IKAB COc1ccc(-c2nc(CC(=O)NCc3ccc(-c4csc(C)n4)cc3)cs2)cc1 12615376 DFJBTQLNNZFJEM-UHFFFAOYSA-N 435.574 5.110 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccccc1Oc1ccccc1Cl 12946274 KOBAVGZYODCWKU-UHFFFAOYSA-N 438.911 6.576 0 40 IKAB Cc1cccc2cc([C@H]3CC(c4cccs4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 13027681 IUKUDVSOQKQCQL-HXUWFJFHSA-N 449.938 6.389 0 40 IKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13074292 ZSGBMGYCUCTRCP-BQYQJAHWSA-N 428.376 5.086 0 40 IKAB COC(=O)[C@H](C)Sc1nnc(Cc2cccc3ccccc23)n1-c1ccc(C)cc1C 13115873 JOSHFAKVFNFIGX-SFHVURJKSA-N 431.561 5.282 0 40 IKAB CCN(CC)c1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 13117859 HBCBGUVKHZOZEX-UHFFFAOYSA-N 444.004 5.021 0 40 IKAB Cc1ccc(C)c(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)c1 13568279 FUZFZLAJRNSNBZ-UHFFFAOYSA-N 444.608 5.344 0 40 IKAB Cc1onc(-c2ccc(Cl)cc2Cl)c1-c1nn2c(-c3cccs3)nnc2s1 13629744 UOGGSYYFPXXSIK-UHFFFAOYSA-N 434.333 5.852 0 40 IKAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl 13995229 UBLNCNSKHJWTLR-ZUOKHONESA-N 443.956 5.122 0 40 IKAB CC(C)C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 14247916 GPZOUBXOHHNRBL-QFIPXVFZSA-N 434.609 5.200 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14396793 BGWHJTHEPOITMA-UXHICEINSA-N 444.575 5.881 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccc(F)cc2)s1)C(=O)Nc1ccccc1C(F)(F)F 16326319 MAADPJDZMCRWPC-SNVBAGLBSA-N 442.463 5.559 0 40 IKAB COc1ccc(N2N=C(C(C)=O)S[C@]23c2ccccc2C(C)=NN3c2ccccc2)cc1 16607916 UUIYECPGXONYIZ-VWLOTQADSA-N 442.544 5.206 0 40 IKAB CCCC(=O)N[C@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)O 16636975 IGKOJFHBMRSTMA-HSZRJFAPSA-N 433.573 5.081 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16737333 IOVGVXPIQFBBJN-QHCPKHFHSA-N 426.472 5.035 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1cccc2ccccc12 16912836 YWLSQMFDDAYBMQ-HXUWFJFHSA-N 436.555 5.723 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Br)cn1 17101861 VLRSWIZSACEYPB-XBXARRHUSA-N 438.108 6.063 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 19400662 IJYQIGXWGGCOGZ-YIXXDRMTSA-N 447.623 5.273 0 40 IKAB C[C@H](C(=O)N1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1)c1ccccc1 19458996 ONAOSPSDEHIPSY-ZSXHRAQDSA-N 448.533 5.336 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 20111163 VSDVGEZCCRRDAO-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(OCC(C)C)c4)c3)oc2cc1C 21578792 WLQJTNKHIXIURD-UHFFFAOYSA-N 428.532 6.707 0 40 IKAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 21595478 WMDZUHUNJYJEIK-JLHYYAGUSA-N 441.516 5.382 0 40 IKAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)c(Cl)c2)c(OC)c1 22110526 KJPUEMJBVHJTIC-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl 22516292 KYUXOEINUKBZON-UHFFFAOYSA-N 448.950 5.327 0 40 IKAB O=C(COc1cc(Cl)ccc1Cl)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 23055215 OHRVSKRCOJBXNZ-JOCHJYFZSA-N 426.303 5.154 0 40 IKAB O=C(OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(N2CCCC2=O)cc1 24769861 SIBIHFVTSRKOLN-UHFFFAOYSA-N 438.483 5.001 0 40 IKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(Sc4nc5ncccn5n4)c23)cc1 32860089 FDAIUYSFLAVIAN-UHFFFAOYSA-N 439.529 5.009 0 40 IKAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C)Cc3ccsc3)c12 32888404 GDHYWBKRLYLUOJ-UHFFFAOYSA-N 431.439 5.551 0 40 IKAB COc1ccc(Oc2cc(NC(=O)c3cc4cc(OC)cc(OC)c4[nH]3)ccc2OC)cc1 32909716 JBYIXWQQHHRIPX-UHFFFAOYSA-N 448.475 5.247 0 40 IKAB COc1cccc(Cn2cnc3c4ccccc4n(Cc4ccc(F)cc4Cl)c3c2=O)c1 35400280 MZXXLGMAAYOQHE-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 36617090 NBRYFQPHPIPKAJ-GFCCVEGCSA-N 429.467 6.264 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)ccc3o2)c1 59294500 UFVDMEOIOXSPJI-UHFFFAOYSA-N 442.559 6.897 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@]3(C)c2ccc(Br)cc2)cc1 72333667 UJBQHSAHUNFKMK-VWNXMTODSA-N 433.349 6.174 0 40 IKAB CCc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 83820403 BCZLULWDBJTBHC-JOCHJYFZSA-N 439.563 6.221 0 40 IKAB O=C(Nc1cccc(C2SCCCS2)c1)Nc1cccc(C2SCCCS2)c1 84374455 HKRSBMGENWJBNQ-UHFFFAOYSA-N 448.704 7.068 0 40 IKAB COc1ccc(Nc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccccc23)cc1OC 100894595 VTCHQXZDTFOIQX-UHFFFAOYSA-N 434.517 5.137 0 40 IKAB OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@@H]2c2cccc(O)c2)CCC1 102656987 OCDOTKKQCJEZIH-HXUWFJFHSA-N 438.940 5.601 0 40 IKAB CCn1c(SCc2ccccc2Cl)nnc1-c1cc2cc(Br)ccc2o1 108057598 PUFOZIMJWLQCCU-UHFFFAOYSA-N 448.773 6.419 0 40 IKAB Clc1nc(-n2c3ccccc3c3ccccc32)nc(-n2c3ccccc3c3ccccc32)n1 144033631 PVGVYFNVFWIRID-UHFFFAOYSA-N 445.913 6.719 0 40 IKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc2ncsc2c1 206891698 SGLFIRGXQORVGG-UHFFFAOYSA-N 429.530 5.811 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 222415017 ZNJNDHSRDHZJFL-JOCHJYFZSA-N 447.044 5.463 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 223399372 LJDIVWJKUXMCHA-DNQXCXABSA-N 445.975 6.168 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 223792394 KLUQJBOUYWBOIY-DNQXCXABSA-N 444.560 5.100 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224440883 FHTUSXBZUJRNMJ-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3)c2)cc1 224534795 WQQPCJOHAZOSHP-UHFFFAOYSA-N 447.531 5.710 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)Nc1ccc2c3c(cccc13)CC2 225202795 DLDLFJNBMNODAU-JLPGSUDCSA-N 438.552 5.718 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225333570 MJYWEYOQDGMUMJ-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 225518482 VOPPBFIPYAZIBI-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2nccc3ccccc23)o1 257218873 DERCHGMIDAQGSX-QFIPXVFZSA-N 427.504 5.190 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4c(C)cccc4[nH]3)o2)c1 257244470 ILLQHUCCXCEMQN-DEOSSOPVSA-N 429.520 5.431 0 40 IKAB Cc1cc(C(F)F)n(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257286447 PLPQCAFOJRMZMW-SFHVURJKSA-N 448.901 5.115 0 40 IKAB CC1(C(=O)N2CCC[C@H](c3cncc(Oc4ccccc4)n3)C2)CCN(C2CCCC2)CC1 257289429 PYNXGPKMZSITOQ-NRFANRHFSA-N 448.611 5.020 0 40 IKAB COc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)C(C)C)ccc1OC(C)C 257303814 SIUWOEMSNZTPHL-XSJSYDCFSA-N 429.601 5.137 0 40 IKAB Cc1ccccc1OCCC(=O)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257316937 VHQGMSBVOKWZGM-QHCPKHFHSA-N 448.994 5.809 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260814474 IWZFSFOKYKEARI-HSZRJFAPSA-N 446.676 6.136 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@H](C)C1 260814759 NINRTMZXLKOOEL-AOJNWGRGSA-N 430.633 5.501 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c1 408620500 OWZSERWSBRJNLD-DEOSSOPVSA-N 436.533 5.093 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c1 408696029 VGSZCBHRLQJKQN-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704453 NQGKOSGUJYDTEL-QHCPKHFHSA-N 440.927 5.506 0 40 IKAB CCc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1 409027868 UPOOXMNOIPLRPC-UHFFFAOYSA-N 444.556 5.236 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(F)cc3)cc2)cc1 409172566 KUSPNTSNQJCPOR-MRXNPFEDSA-N 444.553 5.054 0 40 IKAB CC(C)Cn1c([C@@H]2CCCN2C(=O)C[C@H](c2ccsc2)n2cccc2)nc2ccccc21 524735616 NTTLGTSHRSMWBN-BJKOFHAPSA-N 446.620 5.899 0 40 IKAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(-n3ccnn3)c2)c1 566997900 JBGMCAUUKLTEQW-RPBOFIJWSA-N 439.519 5.039 0 40 IKAB Cc1cccc(OCc2nc(-c3cc(C)ccc3OCc3ccccc3)ccc2C(=O)O)c1 585265232 JVYIBNFEDVVHPD-UHFFFAOYSA-N 439.511 6.222 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccccc3)cc2c1 916743 IBBIAALAJODKDB-UHFFFAOYSA-N 427.573 5.490 0 40 IKAB CC(=O)c1c(C)n(-c2ccc(Cl)cc2)c2ccc(OC(=O)COc3ccccc3)cc12 999324 VJVNXLNYBCOERG-UHFFFAOYSA-N 433.891 5.779 0 40 IKAB CC(C)[C@@H](c1nnnn1Cc1ccccc1)N(Cc1cccnc1)Cc1ccccc1Cl 1338424 CLDXLYXDCHAPHT-DEOSSOPVSA-N 446.986 5.169 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3cccc(Cl)c3)cc2c1 1353121 JNNTYOZZUONYOW-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB CCCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCC1)Cc1ccccc1-2 1813470 TYHTZBUBVWZZGZ-UHFFFAOYSA-N 444.644 6.858 0 40 IKAB Cc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1C 1835547 JYIZXVVWMARKAA-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(C)c4OC)c3)nc2c1 1863881 HLNUUPMWGHPFTJ-OAHLLOKOSA-N 448.950 7.231 0 40 IKAB O=C1CSC2=NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@H](c3ccc(Cl)cc3)N12 2182842 ANVCILZLLNXAGY-KFGZODLXSA-N 441.383 6.501 0 40 IKAB Cc1nn(-c2nnc3c4ccccc4n(Cc4ccccc4)c3n2)c(C)c1Cc1ccccc1 2258894 SUBNNAWINNCSTL-UHFFFAOYSA-N 444.542 5.421 0 40 IKAB CSc1nc(N2CCCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 2343496 XMDVYHFHIJQALZ-UHFFFAOYSA-N 428.627 5.536 0 40 IKAB COc1ccccc1[C@@H](Nc1ccccc1)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2399371 PSXLHQDLGZZANL-VVFBEHOQSA-N 438.508 5.901 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1N[C@@H]1SC(=O)N(c2ccccc2)C1=O 2428023 PBBMYWUTIMTANX-LJQANCHMSA-N 438.530 5.230 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)c(C)c2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 2776222 OUEHURWMAYIZJX-UHFFFAOYSA-N 439.939 5.455 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C\c1ccc(OCc2c(F)cccc2Cl)cc1 2986552 WOLARNTVUKLHKT-MTJSOVHGSA-N 442.273 6.056 0 40 IKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1cccc(C(F)(F)F)c1 3041622 KENRZHSTMGJOMS-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB Cc1ccccc1Oc1cc(Oc2ccccc2C)cc(N2C(=O)c3ccccc3C2=O)c1 3146088 MBQUYZRRTHMOTE-UHFFFAOYSA-N 435.479 6.689 0 40 IKAB O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1ccc(F)cc1 3162736 KJFJRLBENNCLMY-UHFFFAOYSA-N 431.557 7.380 0 40 IKAB COc1ccc(Nc2nnc(SCc3csc(Nc4ccc(C)cc4)n3)s2)cc1 3317859 HGPJOVHGVKOESV-UHFFFAOYSA-N 441.607 6.091 0 40 IKAB O=C(Nc1c(F)cc(F)cc1Br)c1ccccc1OCc1ccc(F)cc1 3357153 NXCLQOCZZZYMHP-UHFFFAOYSA-N 436.227 5.698 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccccc3)nc3c2cnn3C(C)C)cc1C 3412580 VVTCUUIZEIVYDC-UHFFFAOYSA-N 442.519 5.092 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@H]4C(C)C)cc3C2=O)c1 3667430 KJORDJNCXCUSDH-VWQFJMCTSA-N 433.548 5.722 0 40 IKAB biogenic O=C(Nc1cccc(NC(=O)c2ccc(Br)cc2)c1)c1ccc(Cl)cc1 4150509 IKFFSIMTUJNABL-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 6203396 QQIMFNTUDINJIN-UHFFFAOYSA-N 426.564 6.402 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1 8383510 HLURFQKZPWVNQP-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CN(C)c1cc(CSc2ccccc2)nc(SCc2ccc(Cl)c(Cl)c2)n1 8733608 FSOSNXVLWFBMCK-UHFFFAOYSA-N 436.433 6.434 0 40 IKAB Cc1cc(C)c2c(c1)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 8744309 VDDBLILCBYBBLX-QOCHGBHMSA-N 431.424 6.749 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)NCCc3c[nH]c4ccccc34)sc2n1 8748711 ZUSRXHRYTGCMPN-UHFFFAOYSA-N 446.498 5.475 0 40 IKAB O=C(Nc1ccc(Cl)cc1)OCc1cccnc1Sc1ccc(Cl)cc1Cl 8857075 QMUBPUNTSJYSRN-UHFFFAOYSA-N 439.751 6.942 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)sc(C)c1C 8951735 CYWFTJOUFOPMEB-HXUWFJFHSA-N 449.528 5.248 0 40 IKAB O=C(O)Cc1sc(-c2cc3ccccc3oc2=O)nc1-c1ccc(-c2ccccc2)cc1 9057243 QLXHPZQIFAUCAL-UHFFFAOYSA-N 439.492 5.878 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2cccc(C)c2C)c1 9075857 FEIQDEZRMOXBLN-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Clc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1Cl 9199815 SRNKBTUMXLJUDV-UHFFFAOYSA-N 427.356 6.849 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)N(Cc2ccccc2)c2cccc(C)c2)o1 9222853 IXTOAMMTVIKGLW-UHFFFAOYSA-N 445.544 5.379 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccncc4)ccc3c2N)cc1Br 9282756 ZDSPVSMDQMCIBZ-UHFFFAOYSA-N 439.338 5.264 0 40 IKAB COc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(C(C)C)cc3)n3ccccc23)cc1 9316636 JXPSKYCQWXSVNN-UHFFFAOYSA-N 427.504 5.137 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccc(Br)cc1 9660236 ZRUOEOGEYVDSAL-UHFFFAOYSA-N 438.252 5.614 0 40 IKAB biogenic Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@H](C)c1ccc(F)cc1F 9672113 WGROODYIHKCTHP-CQSZACIVSA-N 436.458 5.793 0 40 IKAB O=C(COc1ccc2ccccc2c1)NC[C@@H](c1cccs1)N1CCc2ccccc21 9708234 CPPVRZSLWBAIBP-DEOSSOPVSA-N 428.557 5.200 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 9723755 CQGYEQYDOLLVSG-FQEVSTJZSA-N 446.507 5.054 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)c1 9751294 MYIUZMBPSKHCEU-UHFFFAOYSA-N 449.576 5.536 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9892195 PXSHGZBNWIEHGI-LBPRGKRZSA-N 447.284 6.018 0 40 IKAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(NC(=O)C2CC2)s1 10036053 BORLZJYVBNZXDD-UHFFFAOYSA-N 434.561 5.338 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1C 10329279 RPODGHJPHLLPSH-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCN(CC)Cc1ccc(CNC(=O)c2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1 11002813 XRBBUCWBJXWULE-UHFFFAOYSA-N 440.547 5.175 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc(COc4ccc(F)cc4)o3)c2cc1C(C)C 11195367 SNCDVGCJUHHNMC-UHFFFAOYSA-N 440.496 5.618 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193036 SRWOFOQFTSKALH-UNMCSNQZSA-N 439.740 6.345 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)cs2)cc1 12696570 BGAFCMQRFJNOCE-UHFFFAOYSA-N 434.521 6.082 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)ccc2OC)cc1 12909795 IOLBSXIYKNOCLE-HSZRJFAPSA-N 433.504 5.181 0 40 IKAB CCOc1ccc(-c2nc(CS[C@@H](C)C(=O)Nc3ccc(OC)cc3)cs2)cc1 13015249 CHPBMNVTCSRQRO-HNNXBMFYSA-N 428.579 5.478 0 40 IKAB COc1ccc(C(C)=O)cc1CC(=O)N(Cc1ccccc1)c1nc2ccc(C)cc2s1 13114286 ZLJOAHXJOWXSKT-UHFFFAOYSA-N 444.556 5.592 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(Cl)cc4)cc23)cc1 13564709 HPJPHNWYFGNPNE-UHFFFAOYSA-N 440.934 5.955 0 40 IKAB CCCOc1ccc([C@@H]2C(C(=O)OC)=C(c3ccccc3)Nc3nc4ccccc4n32)cc1 13634961 APTHEPLOFRJLME-RUZDIDTESA-N 439.515 5.424 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4cccnc4)c(C)c3cc2c1-c1ccccc1 13730343 GMKHXCBIDGZNSR-UHFFFAOYSA-N 438.483 5.708 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(-c2cc3ccccc3oc2=O)c1 13946282 ROOJCVLHPOHISU-UHFFFAOYSA-N 443.808 6.385 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 14126595 MQPWNYQBHRIYKW-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB O=C(Nc1ccc(I)cc1F)c1ccc(-c2cccc(Cl)c2)o1 14272896 IALQKZMWUAYMQA-UHFFFAOYSA-N 441.627 5.596 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 16837163 VLKGPZYZOOFTFY-UHFFFAOYSA-N 437.565 5.794 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccccc4Cl)cc3n2)cc1 17103171 IDXLTOMSAHHAHW-UHFFFAOYSA-N 439.346 6.322 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 19646742 KWIZWNSMTWECPG-UHFFFAOYSA-N 447.970 5.410 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)c1cccc(OCc2ccccc2)c1 19647133 RXUWMEFMNARSOQ-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB CC(C)(CNC(=O)[C@@]1(Cc2cc(C3CCCCC3)no2)CCCO1)c1ccc(F)cc1 19740070 FWFXNKVICJQTTB-VWLOTQADSA-N 428.548 5.047 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cc(C)cc(C)c2)cc1 19947548 DPYVZXLFNBTUBW-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCC[C@@H](C)C4)cc3)ccc21 20106538 SDKOSOAUIPOZSX-HXUWFJFHSA-N 425.576 6.299 0 40 IKAB COc1ccccc1Cn1cnc2c3ccccc3n(Cc3c(F)cccc3Cl)c2c1=O 21883742 HRJOAAVGACPYBE-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB O=C(Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1)c1ccccc1 23042566 IKFPJYXNAZZBSS-UHFFFAOYSA-N 434.926 7.475 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1 27744634 XTNYSYSWYGZZLZ-OAQYLSRUSA-N 449.348 5.501 0 40 IKAB CCOc1ccc(-c2nc(-c3cccc(NC(=O)Cc4cccs4)c3)no2)cc1OCC 28221783 SDDVBGMXKOXGLE-UHFFFAOYSA-N 449.532 5.444 0 40 IKAB O=C1CCN(C(=O)c2cccc(COc3ccccc3Br)c2)[C@H]2CCCC[C@H]12 35679126 MSEUBFSLANQSIS-ICSRJNTNSA-N 442.353 5.002 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2O)c(C)c1 38188615 FDWPOLVGLPYYKR-UHFFFAOYSA-N 448.523 5.127 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 38772230 ZOTQSRBTICZACK-RUZDIDTESA-N 448.613 5.825 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(Cc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 58373015 KXIDYWKVNDEFNW-UHFFFAOYSA-N 429.048 6.271 0 40 IKAB Cc1cccnc1Nc1ccc([C@@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)nc1 72353096 RHYANFVXJGSIAT-VWLOTQADSA-N 438.579 5.480 0 40 IKAB CCOc1cccc(CNc2cccc(C(=O)O)c2C)c1OCc1ccc(Cl)cc1 95472059 YBECSDUJPDFHIA-UHFFFAOYSA-N 425.912 5.936 0 40 IKAB O=C(N[C@@H](CCc1ccc(Cl)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749101 CMSUCSRQQQVXJJ-QHCPKHFHSA-N 435.907 5.265 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OC(=O)/C=C/c3ccc(Br)o3)c2n1 95948257 OLCOJSGPTFOWRC-QPJJXVBHSA-N 427.081 5.824 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(Cl)c2)cc1OC 101347027 KSGGDNQKMSCDQT-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(OC(F)(F)F)cc4)C3=N)n2)cc1 102722775 DBDGMTJTCURZGJ-UHFFFAOYSA-N 447.438 5.484 0 40 IKAB Clc1ccc(COc2ccccc2CNc2ccc(Br)cc2)c(Cl)c1 107041028 QYEDZYSWKCJPRQ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@H](Nc2ccc(Cl)cc2)C[C@H]1C 117492121 FAWSUKOIROHXAP-IQMFZBJNSA-N 434.923 6.004 0 40 IKAB COc1cc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c(OC)cc1Cl 219766997 GRNXOLIBNANQBF-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 222724999 XDFOOSNLKTXSKG-UHFFFAOYSA-N 430.356 6.096 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 223085714 RDONNVHAQOBAAP-LOSJGSFVSA-N 445.636 5.248 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223422632 WSEGNBUQYMHLBG-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB Cc1nc(NC(=S)NCc2ccccc2Cl)c(Br)cc1Br 223932620 FAYMOYWCCLNEST-UHFFFAOYSA-N 449.599 5.055 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COc1ccccc1 224087792 UETRQGYBBBWIAO-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCC3CCCCCC3)cc2C)cc1 224212728 WFLISDJTGDNPMK-UHFFFAOYSA-N 442.625 5.219 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224343352 QBLAYZZSDFNVNT-GOSISDBHSA-N 449.422 5.342 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 224543134 MRVNAJFMZNZNSY-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB CCCCOCc1cc(C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)ccc1OCC 224730570 BWFRTUGMHARJHS-UHFFFAOYSA-N 445.003 5.326 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc(Cl)c1Cl 224876903 VVJBDIAQWTUHEA-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225281131 CEIAHHRIXOUTEM-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225602202 JGEOBRJLNPBMSH-CVDCTZTESA-N 429.004 5.303 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2cccc(C)c2)ccc1Cl 225700614 GRTDJCFOEGGGDJ-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Br)c1)C[C@]2(C)NC(=O)C1CCCCC1 257288392 PUADMUFYEDKUBV-UWMFPGJHSA-N 448.445 6.171 0 40 IKAB O=C(O)c1cnc([C@@H]2CCCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 257298391 RLLFSBQJVVFPPK-DEOSSOPVSA-N 449.982 5.731 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1nc2ccccc2o1 408634955 VTQBBPDHZKGPSY-ZDLGFXPLSA-N 432.284 6.612 0 40 IKAB COc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1 408669744 ODODUGHLFMLSEB-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB O=C(Nc1ccc(F)cc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735863 XQDOUDKDPKMUEB-UHFFFAOYSA-N 434.474 6.747 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 408756055 XHDXWAWFSOBJLK-IXWSDTCWSA-N 441.530 5.924 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 408975408 JRHBQUHDESATBD-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409092856 ZVULNRNFJBZOFP-UHFFFAOYSA-N 449.407 5.947 0 40 IKAB COc1cc(OC)c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409137924 YORVBTVQKBXQIC-RQZCQDPDSA-N 440.359 5.083 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)c1 409179288 LLVFMFNGWUHEPX-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1CCc1ccccc1 409216407 KXRKQLJRPTVNOI-XQNSMLJCSA-N 449.959 6.198 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1Cl 409268516 UXCYTRKPRYASIL-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CC(C)(C)OC(=O)N[C@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1 642882636 XFISHIKNOUFXJK-DEOSSOPVSA-N 431.532 5.455 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(-c3cncc4ccccc34)ccc21 643589515 YVSMYOTXFGOWHO-UHFFFAOYSA-N 429.608 6.429 0 40 IKAB CN1C(=O)C=C[C@@]2(C)[C@@H]3CC[C@]4(C)[C@H](C(=O)Nc5ccccc5Cl)CC[C@@H]4[C@H]3CC[C@@H]12 1529040325 CTVXDPDUOKQBKZ-BVPUGUSHSA-N 441.015 5.534 0 40 IKAB COc1ccc(-c2nccc([C@H]3CCCN3C(=O)C3(c4ccc(F)cc4)CCCC3)n2)cc1 1848355711 IKCQSLKJNAUJDI-XMMPIXPASA-N 445.538 5.467 0 40 IKAB COc1c(C)cnc(CN2CCC(c3ccc4cc(-c5ccncc5)cnc4n3)CC2)c1C 2086897001 MLCYCCWDUHKHJI-UHFFFAOYSA-N 439.563 5.092 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)C1CCCCC1 673943 AMBGVFFJXMZQSY-TZMCWYRMSA-N 446.926 5.663 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2Cl)c1C 871293 AIIQISUFIDCGBG-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 875331 DPTRTCBSIGEOPH-UHFFFAOYSA-N 449.526 5.514 0 40 IKAB Cc1ccc(CSc2nnc(-c3ccc(NS(=O)(=O)c4ccccc4)cc3)o2)cc1 1328969 OCQKAPSFDCOROC-UHFFFAOYSA-N 437.546 5.138 0 40 IKAB aggregator Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)c(C)c2)o1 1341825 AVVGETJCUYJYKS-DEOSSOPVSA-N 434.536 5.635 0 40 IKAB Cc1sc(NC(=O)c2ccccc2F)nc1-c1ccc2c(c1)C[C@@H](C)N2C(=O)C1CC1 1366161 JBNQRMOROTUDTM-CYBMUJFWSA-N 435.524 5.198 0 40 IKAB C[C@@H](Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(S(=O)(=O)c2ccc(F)cc2)n1 1383657 SWYBCDWOHYZYQB-MRXNPFEDSA-N 440.471 5.205 0 40 IKAB COc1ccc2c(c1)Sc1c(Cl)c3c(c(Cl)c1=N2)Sc1cc(OC)ccc1N=3 1574783 ASCRXQFLIRJMQZ-UHFFFAOYSA-N 447.368 5.842 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(OCc2ccccc2)cc1 1771452 OEJXQPRXABHSPG-UHFFFAOYSA-N 434.948 6.219 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccccc2)C(C)=C(C(=O)OCC)C1c1ccc(N(C)C)cc1 2062255 MXFXXNXJNDOJFD-UHFFFAOYSA-N 448.563 5.031 0 40 IKAB biogenic CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 2129019 ALRFUPNFCYXTHO-IDRNJTBQSA-N 448.607 5.600 0 40 IKAB biogenic Cc1ccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)cc1 2220997 DKUHTRBYTVRERG-IBGZPJMESA-N 425.554 5.479 0 40 IKAB COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2269492 DFGQXUPMBWISSL-UHFFFAOYSA-N 426.303 6.364 0 40 IKAB Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2291177 KVKUZVPHVRAQOT-UHFFFAOYSA-N 443.595 5.678 0 40 IKAB COc1ccc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 2421445 KYVWHOUGNSMFTK-RYRVMRHHSA-N 444.575 5.155 0 40 IKAB Cc1ccc(NC(=O)CS[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1C 2655044 HOAQRTAVZKXKEH-INIZCTEOSA-N 449.601 5.701 0 40 IKAB COc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(OC)c3)c2C)c1 2733407 ZKAYPVMZTACJFQ-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB O=C(c1c(OCc2ccccc2)ccc2ccccc12)[C@@H]1O[C@@H]1c1cccc2ccccc12 3120648 LOBFDLUNBQVSCS-IHLOFXLRSA-N 430.503 6.895 0 40 IKAB O=C(Nc1ccc[n+](Cc2ccccc2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3187165 KHTJMUWHEVZDFG-UHFFFAOYSA-O 433.453 5.961 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCC(=O)Nc3ccccc3C(C)C)cc12 3218207 LWBDSDZOKUHKBK-UHFFFAOYSA-N 433.533 5.314 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1 3258296 VTYXYFXZLIFWNH-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Oc3ccc(Cl)c4ccccc34)cc2)cc1 3332659 MWTQIUCFQUAIEL-UHFFFAOYSA-N 444.958 7.589 0 40 IKAB O=S(=O)(Nc1ccccc1Cc1ccccc1)c1ccc(Br)cc1Cl 3440807 NPBMBHZTDRNDLE-UHFFFAOYSA-N 436.758 5.494 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 8606591 KOSYNXBSDWQMER-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2sc(Nc3ccccc3)nc2s1 8710716 NXDIRRUMSIMMQY-UHFFFAOYSA-N 436.562 5.087 0 40 IKAB Cc1c(CCC(=O)Nc2nccs2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8764551 KRNYNZLTISPRKM-UHFFFAOYSA-N 430.485 5.542 0 40 IKAB biogenic Cc1ccccc1-n1nc(C)c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)sc21 9160987 DGSSVOUKLPIUBP-UHFFFAOYSA-N 444.604 5.283 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1 9309243 LPUZLILZVFEQSU-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)COc3ccc(F)cc3)cc3sc(=O)oc23)cc1 9430721 SKJSKPNHRJFVAC-UHFFFAOYSA-N 440.448 5.044 0 40 IKAB Clc1cccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)c1 9498719 AWLHCFXGMMGFNV-UHFFFAOYSA-N 441.944 6.039 0 40 IKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1C 9561420 YMWZNTIPFSXZJY-OAQYLSRUSA-N 425.866 6.487 0 40 IKAB COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Oc2ccccc2)c1 9601556 GSKAOWNFMVXMLB-UHFFFAOYSA-N 443.503 5.330 0 40 IKAB Cc1cc(C)n(CCCNC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 9633674 WSMNRDGWGKBRDM-UHFFFAOYSA-N 446.576 5.121 0 40 IKAB CCc1ccc(OCc2nnc(S[C@@H]3CCCCC3=O)n2[C@@H](C)c2ccccc2)cc1 9725624 FCDYBSRFBNFXOQ-FDDCHVKYSA-N 435.593 5.633 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 9729694 OBXFFFGNNTXIBY-GOSISDBHSA-N 428.561 5.192 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(COC(=O)Cc3c[nH]c4ccccc34)cs2)cc1 10632853 LYNPUMJYUHLFSG-UHFFFAOYSA-N 433.533 5.157 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)N2CCC(Cc3ccccc3)CC2)cc(C(C)(C)C)c1 12497517 GGXXSXHKFROXSM-UHFFFAOYSA-N 449.635 5.920 0 40 IKAB COc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC 12554694 WZWNSMDIDXEZNQ-OAQYLSRUSA-N 430.426 5.515 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 12569725 ZCVISYMJYWAPHE-SSGAXFJESA-N 437.605 5.456 0 40 IKAB COc1ccc(-c2nn(CN(C)Cc3nc4ccccc4s3)c(=S)n2C(C)C)cc1 12853366 DDHIQUMVCJBKKO-UHFFFAOYSA-N 439.610 5.370 0 40 IKAB CCOc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)cc1 12853393 DQOLGEQQUJDMQH-FQEVSTJZSA-N 428.989 5.465 0 40 IKAB O=C(OCc1cc(Cl)c2c(c1)OCCCO2)c1ccccc1OCc1ccc(F)cc1 13069151 GNLNIUXIILEZOA-UHFFFAOYSA-N 442.870 5.576 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1C 13117041 VWTMWLUOQHMKPX-INIZCTEOSA-N 432.549 5.020 0 40 IKAB COc1ccc(OC)c(Nc2nc(CSc3ccccc3)nc3sc(C)c(C)c23)c1 13133809 YXHCODVAKNFCTF-UHFFFAOYSA-N 437.590 6.361 0 40 IKAB Cc1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCCC2)cc1C 13150385 PQAGMYVDOJJPDG-UHFFFAOYSA-N 436.577 5.588 0 40 IKAB CCOc1ccc2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)[nH]c2c1 13282853 NPQWGAHCCOJDAO-UHFFFAOYSA-N 440.609 6.237 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(C(C)C)cc43)cc2)cc1 13503422 JCBPIPUQAXOHFH-UHFFFAOYSA-N 446.554 6.315 0 40 IKAB CN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1cccs1 13679210 QWYOWGVGUHYWJB-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1)c1cncs1 13957545 VOYXVALYCUZVPO-UHFFFAOYSA-N 443.484 5.013 0 40 IKAB O=C(c1c(Cl)cccc1Cl)N1CCCN(C(=O)c2c(Cl)cccc2Cl)CC1 13967446 QLGGZBHOVPYSGV-UHFFFAOYSA-N 446.161 5.289 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 14498238 XVEGNANIILLXMY-SFHVURJKSA-N 435.574 5.175 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2ccccc2F)C1 15946887 GQTWJQYRXHQENH-MRXNPFEDSA-N 443.588 5.079 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4C)c3)nc2c1 16611248 CGUVAYHZBXJAJE-INIZCTEOSA-N 443.572 6.444 0 40 IKAB CCCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 16638523 WUPNHQCKJJZVRZ-UHFFFAOYSA-N 426.782 5.970 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(CCc1ccccc1)C3=O 16736160 UDEXSOQYGAQRLQ-QHCPKHFHSA-N 429.903 5.543 0 40 IKAB CCCCOc1ccccc1-c1cc2c(SCC(=O)Nc3ccccc3)nccn2n1 16842367 JYJVRRHYRWFDOX-UHFFFAOYSA-N 432.549 5.306 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1sc2ccccc2c1Cl 17096729 CKILTQUWTKKACC-UHFFFAOYSA-N 429.998 5.277 0 40 IKAB Cc1cc(C)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(C)c1 17102864 JSZHQYAQNIFAGJ-CSKARUKUSA-N 438.980 6.360 0 40 IKAB C[C@@]12C[C@@H](NC(=O)N1c1ccccc1C(F)(F)F)c1cc(Br)ccc1O2 20153891 IXMDUXQDEXVSKW-CXAGYDPISA-N 427.220 5.238 0 40 IKAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)cc1Cl 20725470 OXEVLQRRHLDKRU-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB C[C@@H](c1ccccc1)N(C)C(=O)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 22969891 ICMLZKZVPZZXCA-RTWAWAEBSA-N 429.564 5.151 0 40 IKAB CCc1ccc(CN(Cc2cccnc2)C(=O)Cc2nc(-c3cccs3)oc2C)cc1 24501247 XJNGKFNOVKSBNH-UHFFFAOYSA-N 431.561 5.440 0 40 IKAB CN1CCc2ccccc2[C@@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl 29590275 ACKAQJBYLPLIOW-QFIPXVFZSA-N 447.003 6.579 0 40 IKAB in-vitro O=C(Nc1ccccc1Oc1ccccc1Cl)[C@H]1CCCN(C(=O)c2cccs2)C1 32760115 KSZCEBNGTFHVFN-INIZCTEOSA-N 440.952 5.685 0 40 IKAB CCCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026825 YKAHOJQOQQQMTA-UHFFFAOYSA-N 441.466 5.419 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1c(OCC)ccc2ccc(OCC)cc12 33751050 FIOYVBHBMRCJIN-JOCHJYFZSA-N 438.549 5.405 0 40 IKAB O=C1OC(c2ccc(Br)cc2)(c2ccc(Br)cc2)c2ccccc21 34139215 KIDHFNTZQIMNJJ-UHFFFAOYSA-N 444.122 5.674 0 40 IKAB Cc1ccc(Cl)c(OCc2nnc3n2N=C(c2ccc(Cl)c(Cl)c2)CS3)c1 35131985 HSUVJCHKHQGDCT-UHFFFAOYSA-N 439.755 5.484 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1cccc([N+](=O)[O-])c1 35647749 FAKYWRJRXXXMGX-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 37170591 SRFSWTHEYUURMI-RTBURBONSA-N 433.577 5.026 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 39404542 OBLRYJOBGAYEPF-XDTRZITMSA-N 443.497 6.793 0 40 IKAB CCc1nn2c(ncc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397463 QOGRGOCYMYDUNM-QYWGDWMGSA-N 434.971 5.924 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2Cl)CC1 44855378 ANOOFPJCNLGCDK-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC 44886338 NECALCWJYNMFDL-UHFFFAOYSA-N 425.912 5.208 0 40 IKAB CN(c1ccc2sc(C(=O)NC3CCCCCC3)cc2c1)S(=O)(=O)c1ccccc1 46058470 XYRFMHGGIIGSRA-UHFFFAOYSA-N 442.606 5.179 0 40 IKAB Cc1cccc(-c2nc(CSc3nccn4nc(-c5ccc(C)cc5C)cc34)c(C)o2)c1 48990978 SCIPRTLTZKMWBN-UHFFFAOYSA-N 440.572 6.577 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(F)cc4)cc23)cc1 57720905 FITLPFCYJJIGND-UHFFFAOYSA-N 440.478 5.141 0 40 IKAB O=C1N(Cc2cccc(C(F)(F)F)c2)CCCC12CCN(Cc1ccc(F)cc1)CC2 57773856 OAHUTSTVLVIBLS-UHFFFAOYSA-N 434.477 5.249 0 40 IKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 58135471 GHFVPNHSFMTSCF-VXKWHMMOSA-N 436.577 5.529 0 40 IKAB C[C@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 58168063 ZMRBRVAUKGKARL-IBGZPJMESA-N 428.532 5.348 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccc(C)cc1 58420667 WJFRNYXMRUBKQC-SANMLTNESA-N 449.554 5.843 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NCCC2=CCCCC2)cc1 71328017 VSOUXGCWGNDSBU-UHFFFAOYSA-N 441.641 5.543 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 89893491 SOVZDBVNVCFTNO-UHFFFAOYSA-N 434.989 5.280 0 40 IKAB CCCC(=O)N1CCC(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1 95458919 JROYXEBDYTVEOX-PZJWPPBQSA-N 438.534 5.277 0 40 IKAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3C)CC2)cc1 100744853 ITPBZYDOYFEOPB-GRGXKFILSA-N 446.595 5.031 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3cc(C)ccc3n2)cc1 101538514 SQINHRUMHNTJQA-LUBSMZHTSA-N 428.576 6.163 0 40 IKAB O=c1c2ccccc2ncn1C[C@H]1CC[C@H](C(=O)Nc2ccc(Cl)cc2Cl)CC1 101930831 MLHPJDNJFWFVHE-GASCZTMLSA-N 430.335 5.148 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 106741618 MZCNSVOCZVNODX-NDENLUEZSA-N 449.931 5.903 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1F 214331876 HBNRZZXINHZISY-VXLYETTFSA-N 448.302 6.629 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1Cl 216337645 IBYRQIBAZXZRTD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222983147 IVDBAFDMPYNTTF-SFTDATJTSA-N 446.403 6.421 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223107039 DRBWDMMSPVUEHE-JWQCQUIFSA-N 445.636 5.244 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 223685419 VESYXTWBHDWMRJ-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB O=C(NCCC1CCCCCC1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224035063 ACERXAPVGALLAV-UHFFFAOYSA-N 434.989 5.231 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224125965 PDORMHRSACCIDI-AREMUKBSSA-N 428.576 5.152 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(Cl)cc1 224159596 HLPSVLVUFPHHAV-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)c1 224246744 SPGBZTIAACPXNP-BJKOFHAPSA-N 443.597 6.311 0 40 IKAB CC(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224559984 CGWDWVPPOKLKJS-UHFFFAOYSA-N 440.540 5.321 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cc(C)cc(C)c3C)c2)cc1 224614926 RRADNHMMZWUWSQ-UHFFFAOYSA-N 445.603 7.184 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 224695963 UBOMTXZPSZCMSW-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225044442 YYLFFQHHIVDVQG-RPBOFIJWSA-N 433.592 6.066 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 225194592 QZLXOGZNRDMDJO-FQEVSTJZSA-N 426.576 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225312115 OWHJEZGCBDIOQJ-DLBZAZTESA-N 435.395 5.176 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225370301 BSQIJHYYUVJBHJ-UHFFFAOYSA-N 428.403 7.033 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C(C)(C)C)cc1 225581831 WVBPMOLPFYPIAW-QGZVFWFLSA-N 430.995 5.866 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2O1 225592893 BKOLJJDGFYMSPF-XMMPIXPASA-N 449.978 6.731 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 225677042 NJHOHNRKZTVPIQ-UHFFFAOYSA-N 440.008 7.082 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(I)[C@@]4(C)CC[C@H]32)C1 256447603 OFYWDQNTPMUZEH-ZBGUWCLVSA-N 440.365 5.810 0 40 IKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(F)cc3)n(-c3ccc(Cl)cc3)n2)c1 257309174 TZVXPLATJXNLGN-UHFFFAOYSA-N 436.870 5.771 0 40 IKAB Cc1ccc(N(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)cc1C 408620281 NOJDDNOUGXPNJR-UHFFFAOYSA-N 442.625 5.112 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(C)cc2)cc1 408697478 JQYJOBOKAXLZGV-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408698970 QMDZORCYDPIGBT-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB CCOc1cc(Cl)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408874188 ZFYLVOAPGLWBEF-NVMNQCDNSA-N 438.332 5.637 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(C2CCCCC2)cc1 408979333 MNGNIFKAXSIORL-AREMUKBSSA-N 426.560 6.234 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1C 409101819 ZAHRHKGFAGCSFJ-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409268554 VRJIQTNYDNGRGI-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 624060483 GEXOSTZYCRTRMU-LBPRGKRZSA-N 431.414 5.305 0 40 IKAB CCN1CCCCCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582696 IMQMUTATDBUFIT-NOZRDPDXSA-N 434.580 5.165 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1 877982 TYCPLUYPWCGDKA-UHFFFAOYSA-N 431.492 5.369 0 40 IKAB CC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC(C)C)cc1 915645 VCRKRTIIHLUAOB-SANMLTNESA-N 445.559 5.773 0 40 IKAB biogenic Cc1nn2c(COc3ccc(NC(=O)c4ccccc4Cl)cc3)nnc2c2ccccc12 1431633 ZCOQKNVSWQHJRV-UHFFFAOYSA-N 443.894 5.071 0 40 IKAB CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 1821163 GSWBLHROBHCPPB-MHZLTWQESA-N 432.633 6.465 0 40 IKAB O=C1OC(c2cccc3ccccc23)=N/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 2069072 HTFAVBZNYZHSBJ-KGENOOAVSA-N 433.385 6.463 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)N[C@@H](C)CCc4ccccc4)c(C)c3cc2c1C 2093614 VNXNSRWALLQOBQ-INIZCTEOSA-N 431.532 5.535 0 40 IKAB biogenic CCCCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 2184851 PVHIVEJPFMDISM-UHFFFAOYSA-N 443.546 5.714 0 40 IKAB COC(=O)COc1ccc(-c2nnc(Nc3ccc4ccccc4c3)c3ccccc23)cc1 2322412 NTBHYEQQPGQROC-UHFFFAOYSA-N 435.483 5.745 0 40 IKAB CCCSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4 2393957 FJXBMWBYSYTBFZ-UHFFFAOYSA-N 426.636 6.012 0 40 IKAB Cc1nn2cc(-c3ccc(Cl)c(Cl)c3)cc2c2c(C)n(C3CCCCC3)c(C)c12 2440305 MCLUSMGBPVLYTG-UHFFFAOYSA-N 426.391 7.693 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CCc3ccccc3)c3nc4ccccc4nc32)cc1 2448939 XMTAUNGESJSRES-IBGZPJMESA-N 449.558 5.215 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 2594146 GNJLAQHHRZARCD-CQSZACIVSA-N 439.342 7.567 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)c(C)n1C 2620623 DBKDYDMLYGFEGM-UHFFFAOYSA-N 428.989 5.644 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733258 UGUQIHNVNJZWQH-UHFFFAOYSA-N 435.398 8.055 0 40 IKAB CCc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)cc1 2740180 LJTMQQMJAWLBID-UHFFFAOYSA-N 431.333 6.479 0 40 IKAB Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccc(Cl)cc2)c1Cl 3105786 ZWNMHJYDWCJVDN-UHFFFAOYSA-N 429.825 6.965 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)c2ccccc2C)c(C(=O)c2ccccc2)c1 3176810 IRNMCRWMJPQUJF-UHFFFAOYSA-N 448.522 6.039 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1Br 3253159 IQOHHYDIUJJDIE-UHFFFAOYSA-N 442.693 5.252 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3280594 WZACEORYMMMLLY-KRWDZBQOSA-N 444.535 5.143 0 40 IKAB Cc1sc2ncnc(Oc3ccc(N(C)S(=O)(=O)c4ccc(F)cc4)cc3)c2c1C 3283817 ZXRMQCGVLBELKO-UHFFFAOYSA-N 443.525 5.065 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3C(F)(F)F)c2C1 3312636 OWHNDSXGHUCCTM-AWEZNQCLSA-N 442.437 5.174 0 40 IKAB Cc1ccc(-c2csc(NC(=O)COC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 3347226 RQPPPNZYFCCLLA-UHFFFAOYSA-N 428.513 5.581 0 40 IKAB COc1ccc(-c2nnc(SCCOc3ccc(Br)cc3)n2C(C)C)cc1 3351977 CNWYCFKXMYNBKM-UHFFFAOYSA-N 448.386 5.468 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4ccccc4C)sc3n2)cc1 8441098 QFYHMIZGNPVCCP-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 8755654 ALJIALGARQGPJP-UYAOXDASSA-N 441.531 5.183 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2)[C@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288535 DVRRUPPGPNKHGX-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355554 BTXVLAIUJIPDLV-LJAQVGFWSA-N 446.525 6.730 0 40 IKAB CCCCCC(=O)OCCSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 9356734 XNGVIUQMKUCANY-UHFFFAOYSA-N 429.969 6.064 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccccc1Br 9363781 KDGXAAAOPPXNOP-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4F)cc3O)n[nH]c2C)cc1 9410115 LUJSQNWUJUMHKL-UHFFFAOYSA-N 448.450 5.388 0 40 IKAB Cc1c(C(=O)Oc2cc(-c3ccc(Cl)cc3)c3oc(=O)sc3c2)oc2ccccc12 9430766 ZWSHMKXNOIPJTG-UHFFFAOYSA-N 436.872 6.449 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)cc1OC 9660242 JYCMJZJKEKIIOZ-UHFFFAOYSA-N 443.499 5.853 0 40 IKAB biogenic Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)n1C 9870935 GOQTYRLMZFAJOH-UHFFFAOYSA-N 440.594 5.081 0 40 IKAB CCOc1ccc(CN(CC)C(=O)c2ccccc2NC(=O)c2ccccc2)cc1OC 9884748 XZZFHPHSSNNHMO-UHFFFAOYSA-N 432.520 5.009 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C)cc3Br)c3ccccc3n2)c(C)c1 12483605 OYVVJXQKDZDBAA-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB Cc1cccn2cc(COc3cccc(C(=O)N[C@@H]4CCSc5ccccc54)c3)nc12 12539237 DNWOGCGZHPITSW-JOCHJYFZSA-N 429.545 5.189 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)cc1 12569683 OQQXSKJMHYGEEM-KBPBESRZSA-N 438.578 6.135 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc(C2CC2)nc2ccccc12 12777312 WMKCYXKIGGQJAN-UHFFFAOYSA-N 428.319 5.130 0 40 IKAB CN(Cc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)[nH]1)Cc1ccccc1Cl 13058045 TZDHPIJUAGAXPJ-UHFFFAOYSA-N 430.360 5.590 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nn(CN(C)Cc3ccccc3C)c2=S)cc1 13069218 JKIXHWFAENTWDP-UHFFFAOYSA-N 449.023 6.430 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1sc2cccc(Cl)c2c1Cl 13382141 HJIJIJKQGAMZBZ-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNCc3cccs3)cc12 13564680 RKYZENZNUATALX-UHFFFAOYSA-N 426.973 5.016 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@H]3CC[C@@]21C 13583422 NPYXBHZQVNRAOF-AXYOXNHISA-N 430.717 7.405 0 40 IKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(Br)c(Cl)c1 13679310 BQTYMTQNGFVCOR-UHFFFAOYSA-N 429.550 5.351 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccccc4Cl)nc3c1[C@H]2c1ccccc1 13759299 JNLDXIXXJLEURE-FQEVSTJZSA-N 426.863 5.436 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1ccc(Cl)cc1 14009947 KQZLXFBCRVLJLY-GZTJUZNOSA-N 431.300 5.835 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 14223364 HILBUGYIUHWIDT-UHFFFAOYSA-N 431.989 5.300 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 14359804 YIZGATDXTZWJIM-SFHVURJKSA-N 425.557 5.814 0 40 IKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2ccc(C)c(C)c2)CC(=O)N1c1ccc(Cl)cc1 15413048 ZXJHKGHPSCMZCD-NGIPLVLYSA-N 444.962 5.809 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)/C=C/c4ccco4)c2)N3)C1 15947581 HKTNYGMIOSCSDY-RVCCNKLESA-N 434.517 5.514 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 16007552 ZJHYWCDBMLSWBM-MLGOLLRUSA-N 439.965 5.310 0 40 IKAB CC1CCN(S(=O)(=O)c2ccc(C(=O)Oc3ccc4oc5ccccc5c4c3)cc2)CC1 16044423 ARRYCIPTJLBPLJ-UHFFFAOYSA-N 449.528 5.226 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)c1 16788967 BHMCYBRUQMXFMC-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB COc1c(C(=O)Nc2ccc3c4c(cccc24)CC3)cc2ccccc2c1Br 17097809 FTOABSKREQSLIO-UHFFFAOYSA-N 432.317 6.115 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(Cl)cc1 17099299 CUEKPEOIGGPRJW-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3nc(Nc4ccccc4)n4ccsc34)C2)cc1 19594412 AWQYPFYRLZCPRC-FQEVSTJZSA-N 446.576 5.306 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cc3c(C)nn(C)c3C)cc2)cc1Br 19635456 JJIKEPROELTOFQ-UHFFFAOYSA-N 442.357 5.041 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)C[C@@H]3CCCO3)CC2)n1 19687095 DJIAULNPZMWXHD-QFIPXVFZSA-N 446.513 5.275 0 40 IKAB CC(C)c1nc2cc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(F)cc4)cn3)ccc2[nH]1 19688530 IRLGLUHUQQITHT-VWLOTQADSA-N 442.538 5.789 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccc3ncccc3c2)CCO1 19697685 ZCIQFQWSQRMYKS-JOCHJYFZSA-N 445.588 5.161 0 40 IKAB CN(C)C(=O)c1cc([C@@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2ccccc12 19760954 VYXASMSFKCBXOC-OAQYLSRUSA-N 449.554 5.233 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20459259 XUKMXTGFHJPUSW-QFIPXVFZSA-N 425.981 6.737 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(OCC(C)C)cc1 23055407 LMBXWCLGVDSDJO-UHFFFAOYSA-N 427.932 5.477 0 40 IKAB Cc1cccc(N2C(=O)[C@H](Cc3ccccc3)n3c(-c4ccc(C(C)(C)C)cc4)nnc32)c1 26532368 KKGFJPAFPGVSFA-DEOSSOPVSA-N 436.559 6.013 0 40 IKAB CC(C)CNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 27017251 BWNSSQOIWPOODI-LFVJCYFKSA-N 448.950 5.675 0 40 IKAB COc1ccc(C2=N/C(=C/c3cc4ccccc4nc3Sc3ccccc3)C(=O)O2)cc1 27572909 RYTQKQYJRUXFCH-XQNSMLJCSA-N 438.508 5.739 0 40 IKAB Cc1ccc(-c2nsc(NC(=O)c3cc(-c4ccc(Br)cc4)on3)n2)s1 28291173 HVKNYCVNFXBLPJ-UHFFFAOYSA-N 447.339 5.245 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539341 GAOSBBAIJNCDMR-UHFFFAOYSA-N 437.449 6.494 0 40 IKAB CC[C@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 32865868 LHBPKIDZOBXMEX-HNNXBMFYSA-N 447.354 5.545 0 40 IKAB O=C(Nc1cnc2ccccc2c1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 32894221 SWIQTHBMKKJUBS-UHFFFAOYSA-N 434.849 5.157 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 33495375 JFSHUTJDVKUMTJ-XJNUBZBUSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4nc5ccccc5o4)c3)o2)cc1C 33508656 PEKDLRNJOPMPKL-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc2ccccc2c1 33654375 BPFNGBKPDDMZGQ-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB Fc1ccc(CN(CCc2nc3ccccc3[nH]2)C(=S)Nc2cccc(Cl)c2)cc1 35291240 UWMVQKBHYWVIAL-UHFFFAOYSA-N 438.959 5.797 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 35419119 LBZMTNKQVPXKOA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1c(C(=O)Nc2ccccc2Cl)cnc2c(-c3ccc(Br)cc3)cnn12 38829615 LVOYRJHGSBDZIR-UHFFFAOYSA-N 441.716 5.373 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)sc2c1CCCC2 38857848 LSEMRQCIVVSUFF-UHFFFAOYSA-N 440.609 5.288 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccc(F)cc2)CC1 39761178 KGLJGZORUXQVSQ-UHFFFAOYSA-N 434.580 5.969 0 40 IKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccccc2Br)cc1 40485430 DMKTVASFWAEOJQ-QFIPXVFZSA-N 434.333 5.810 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C(C)(C)C)cc1 44906077 HNLWXFFPIXCAFF-KRWDZBQOSA-N 447.450 6.380 0 40 IKAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(C3CC3)[C@H](C)C3CC3)c12 48300761 HAEHBKHOFIQIKE-CYBMUJFWSA-N 429.442 5.620 0 40 IKAB COc1ccc([C@H]2CC(c3c(C)nc4ccccc4c3-c3ccccc3)=NN2C(C)=O)cc1 58196725 ULUUIGTZBHDRQR-AREMUKBSSA-N 435.527 5.916 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 67258967 PUQMZTBOGILWRS-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@@H]3[C@@H](CC)c3ccccc3)n2)cc1 71844215 ZXJKIBLFDXDDCM-XZOQPEGZSA-N 433.552 5.253 0 40 IKAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1 72349678 KYRKARZBHSKZSP-NRFANRHFSA-N 439.559 5.111 0 40 IKAB CCc1oc2ccccc2c1CN1CCC([C@@H](NC(=O)C(C)(C)C)c2nccs2)CC1 72394599 ZUUFXHGOBMECTA-JOCHJYFZSA-N 439.625 5.567 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(-c3nn4c(C(F)(F)F)nnc4s3)c2)c(Cl)c1 98086967 VAYUMUIUDSRSEV-UHFFFAOYSA-N 437.834 5.086 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 100743889 CYSOJEYJVWRUJI-HSALFYBXSA-N 436.600 5.484 0 40 IKAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@@H]3C(Cl)(Cl)Cl)cc1 101892772 BNQNTYCPFBFSJT-IBGZPJMESA-N 435.742 5.390 0 40 IKAB COc1cc2c(cc1NC(=O)C13C[C@H]4C[C@H](C1)CC(n1cncn1)(C4)C3)oc1ccccc12 101953848 HSHMIFYXZMMBDE-AALNIOGOSA-N 442.519 5.120 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1Br 102199876 MLXAAGPTTPKCOG-LGBHXNNWSA-N 427.180 5.512 0 40 IKAB O=C1[C@@H]2CCC[C@@H]1[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 105299157 QVDGXRZENJEJRK-NCXUSEDFSA-N 449.186 5.583 0 40 IKAB CCOc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccccc1 109027265 ICKDTGVTDNQGDD-UHFFFAOYSA-N 434.399 5.588 0 40 IKAB 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)CCc2ccccc2)C1 118915003 OSYGNEOCCSKLON-XCWLXJHVSA-N 438.652 6.325 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 205675914 LYZAALYGVDZRFG-HYARGMPZSA-N 447.512 5.018 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1cccc(OCc2ccccc2Cl)c1 219837267 IOUIHRSSLAIARE-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220682987 UGIKNZIHWSQVKC-SFHVURJKSA-N 443.396 5.300 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222487709 FMMVSTRAEILBHQ-VWLOTQADSA-N 436.640 5.557 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 222704401 RLPCEXBWYALLMG-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222967627 CDNPCPIQXRTYDV-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NCC2CCCCC2)c2ccc(C(C)C)cc2)cc1 223561723 FBDCWEFRTNHZLE-UHFFFAOYSA-N 442.625 5.010 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@H](C)C(=O)NC1CCCC1 223787938 QKSXLTUAZSGPIC-JOCHJYFZSA-N 442.603 5.557 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1cccc(N2CCCC2=O)c1 223789462 ZZEOGIUQPQWBPZ-UHFFFAOYSA-N 436.895 5.520 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(C)C)c(C)c1 223971170 KIXYKZPLEDQJGS-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccs2)ccc1NC(=O)C(C)C 224078093 KGNXXPTXHMFSKA-LEWJYISDSA-N 436.606 5.223 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224298959 XNAXVBWNDLFZHM-UHFFFAOYSA-N 431.919 6.011 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224303268 QRZUGBQYDLMOHW-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 224374775 LSFNLEUDUDMKNO-FTJBHMTQSA-N 438.600 6.173 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224393325 HVTXMEJTENBAAU-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)C[C@@H]3C=CCC3)CC2)on1 257211569 BZJSCPSCOYZACM-VAMGGRTRSA-N 436.600 5.484 0 40 IKAB CCc1cccc(C)c1NC(=O)CN1CCC(c2ccnc(Nc3ccc(F)cn3)c2)CC1 257229818 FZOQTSXCMUUGAP-UHFFFAOYSA-N 447.558 5.048 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3scnc3C)CC2)on1 257275864 NRHCTQCXDIBMBS-QAQDUYKDSA-N 439.585 5.032 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1 408543043 CCLVTAOOYYSKEA-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 408543870 FQKBNYMBMTWSNW-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408574283 LLZVYVIFIBDLAK-OAHLLOKOSA-N 426.365 5.025 0 40 IKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2c(c1)c1ccccc1n2CC 408589855 FWJOQTUGGLMHFW-UHFFFAOYSA-N 428.941 5.667 0 40 IKAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCc1ccc(C)cc1 408632996 IRMYDPOVOGKBMS-UCQKPKSFSA-N 447.512 5.942 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 408640428 HXKGYVKLUPAACO-QFIPXVFZSA-N 436.511 5.932 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408699232 VPCKTNQDJJIYEI-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2cccc(C)c2)cc1 408699716 YTSCTVVMFSXCRV-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408699879 WRQZNOSLURRWCZ-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1 409092046 XFOQGSIVFVPTPH-UHFFFAOYSA-N 445.386 5.157 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1 409098766 JUGSSTZXNKYLDX-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB c1ccc(Oc2ccc(NCc3cccc(OCc4cccc5ccccc45)c3)cc2)cc1 409119317 SVOKWVVJZJIOMC-UHFFFAOYSA-N 431.535 7.823 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(Cl)cc1OC 409146106 JITZDIHSFUENCS-DEDYPNTBSA-N 431.941 5.416 0 40 IKAB CCc1ccc(C(=O)COC(=O)CCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 409179052 MRMWAGWZCUTEBU-UHFFFAOYSA-N 441.833 5.066 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12)c1cccs1 409180415 SDRFJSQLLNBKFZ-UHFFFAOYSA-N 442.323 6.310 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(-c4cccc(Br)c4)o3)C2=O)cc1 409230055 BABRHMFNZAHIPB-XDHOZWIPSA-N 437.293 5.110 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C2=O)cc1 409249245 SRXXQHBVUISKRB-WPWMEQJKSA-N 448.522 5.820 0 40 IKAB O=C1[C@H](Oc2ccc(Cl)cc2)[C@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 729578 XZBPLKWEYPOIEE-LEWJYISDSA-N 428.271 5.258 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2ccc(C)cc2[nH]c1=O 894886 JWJSQZDDCNQHAY-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cc3ccccc3o2)cc(-c2nc3ccccc3o2)c1O 1104802 AFHLTTSRJQTLFR-UHFFFAOYSA-N 443.484 5.382 0 40 IKAB COc1cccc(NCc2cc3c(-c4ccc(C)cc4)nn(-c4ccccc4)c3[nH]c2=O)c1 1238160 BDNHMJVUGKDMAX-UHFFFAOYSA-N 436.515 5.310 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)NCc3ccccc3)cc2c1 1327168 NKCIBIVSHPGRFW-UHFFFAOYSA-N 439.559 5.311 0 40 IKAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1C 1436716 RJBBHEWRCSTEBU-VWLOTQADSA-N 441.531 5.261 0 40 IKAB CCc1ccc(C)c(OC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 2065824 GQRRHDGZURYTPA-LBPRGKRZSA-N 442.147 5.455 0 40 IKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(c1ccc(Oc3ccccc3)cc1)CO2 2114214 DTKVHBAHKBCJAG-UHFFFAOYSA-N 425.484 5.739 0 40 IKAB biogenic O=C(C[C@H]1C(=O)N(c2ccccc2)C(=S)N1c1ccccc1)c1ccc2c(c1)CCCC2 2296090 LWANXKBOICVAER-DEOSSOPVSA-N 440.568 5.345 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1c(Cl)cccc1Cl 2415425 KCJYQLGUHSFDIF-CCLHPLFOSA-N 430.312 5.717 0 40 IKAB CCN(CC)C(=O)C1=C(C)N(c2ccccc2)C(=S)N[C@@H]1c1ccc(Cl)c(Cl)c1 2622542 VDKBSJNZXDCJJU-HXUWFJFHSA-N 448.419 5.572 0 40 IKAB COc1ccc2c(CSc3nnc(Nc4cccc(C)c4C)s3)cc(=O)oc2c1 2631985 KCMZBAHGBCXHAY-UHFFFAOYSA-N 425.535 5.306 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4F)ncnc32)cc1 2715218 JZSTYBNJWRMGBR-UHFFFAOYSA-N 438.506 6.237 0 40 IKAB O[C@@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1 3205707 XIRMZNKBAGVWMK-XMMPIXPASA-N 442.386 5.519 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 3263712 YTGYNUHKFUYZCF-UHFFFAOYSA-N 437.927 5.264 0 40 IKAB O=C(CSc1nnc(CN2CCCC2)n1Cc1ccccc1)c1ccc2ccccc2c1 3326692 ZCWDELRGHDLTFU-UHFFFAOYSA-N 442.588 5.050 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 3636405 GSQAXZAJAWRJSG-QHCPKHFHSA-N 448.588 5.378 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 8829173 BCKUUNFZPHVTFS-XMMPIXPASA-N 432.520 5.044 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 8871524 FVVBVHICISMMOT-IBGZPJMESA-N 429.495 5.143 0 40 IKAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c1 8923056 PWEPCHYXMGDGST-SANMLTNESA-N 433.935 5.007 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1ccccn1)C3=O 8964447 LKRSIKMQNSDUCP-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@@H]3CCCc4ccccc43)ccc2c(=O)c1-c1ccccc1 9048454 RLHIGQQXAHRGQX-XMMPIXPASA-N 439.511 5.341 0 40 IKAB biogenic CC(=O)[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)n1CC(C)C)c1ccccc1 9113180 ITMCVGFEMSTYNQ-LJQANCHMSA-N 434.392 6.330 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 9120116 XJKJZACDZDIFDT-UHFFFAOYSA-N 429.545 5.366 0 40 IKAB COc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 9185009 WVQZUNVGGCBPHJ-UHFFFAOYSA-N 441.516 5.285 0 40 IKAB O=C(CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)Nc1c(F)cccc1F 9198275 CDUUWAJVHKAIPX-UHFFFAOYSA-N 433.530 5.876 0 40 IKAB Cc1cc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C)nn3c2C)ccc1Cl 9225433 LGAYGZPHVQYKQR-UHFFFAOYSA-N 426.307 5.276 0 40 IKAB COc1cc(OC)c(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)c(OC)c1 9233230 RQAZMTROVPBDLW-LPYMAVHISA-N 435.501 5.102 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)cc2C)c1 9250137 LXRWFFBKCHSSHA-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9282764 CELCRSFJMUCOPG-OAQYLSRUSA-N 448.931 5.622 0 40 IKAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 9296375 DUGHYAUOQORXCH-UHFFFAOYSA-N 442.588 5.400 0 40 IKAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1cccc2ccccc12 9366792 ZXEALCHGKDAALY-UHFFFAOYSA-N 445.491 6.255 0 40 IKAB CS(=O)(=O)c1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2NC2CCCCC2)c1 9377828 PUJCTRFRZOIWIK-UHFFFAOYSA-N 440.487 5.106 0 40 IKAB COc1cccc(-c2cc(OC(=O)COc3ccc(C)c(C)c3)cc3sc(=O)oc23)c1 9430784 WHHKYXXUIOAXEL-UHFFFAOYSA-N 436.485 5.131 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)CSc1cc(C)c2ccccc2n1 9469830 HKSAIIWTPYPBCK-UHFFFAOYSA-N 430.577 5.096 0 40 IKAB Nc1cccc(-c2nc3ccc(Oc4ccc5nc(-c6cccc(N)c6)[nH]c5c4)cc3[nH]2)c1 9553669 ZSCKIOPWUGLXOL-UHFFFAOYSA-N 432.487 5.730 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1Br 9590837 SBGXBLYDTBIBGK-REWPJTCUSA-N 435.321 5.700 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2ccccc2c1 9814747 CXWAUJUYXSOEHA-OAHLLOKOSA-N 434.590 5.464 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 9952120 GWLADOTUAXXNGZ-UHFFFAOYSA-N 433.533 5.398 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N(C)Cc2ccccc2)cc1Cl 10119240 FEJPDKZAPSCQPN-UHFFFAOYSA-N 432.907 5.110 0 40 IKAB CSc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(SC)cccc2s1 10528687 GZURGFALPXAKPT-UHFFFAOYSA-N 437.615 5.982 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3ccc(NC(C)=O)cc3)no2)cc1OC 12185665 AWESESYWKXSEJF-HSZRJFAPSA-N 449.551 5.435 0 40 IKAB CCCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN12 12437248 BTTFXCVYZPNVNL-UHSQPCAPSA-N 434.539 6.871 0 40 IKAB COc1cccc(Nc2nn(CN(C)[C@@H](C)c3nc4ccccc4s3)c(=S)s2)c1 12553609 HEERJCLFOHGPQK-ZDUSSCGKSA-N 443.623 5.686 0 40 IKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cc(Cl)ccc1N1CCOCC1 12562437 KWULIGSDQWIUGP-UHFFFAOYSA-N 448.375 5.135 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2[C@H](C)c2ccccc2)cc1 12598765 LOHUTKSMHQHTMV-GOSISDBHSA-N 437.609 5.736 0 40 IKAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)o2)cc1 12679539 ULGCCENYWARMMA-CYBMUJFWSA-N 439.566 5.177 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1ccc(C)cc1 12682422 INSBLNDUFHWHOE-UHFFFAOYSA-N 428.941 5.604 0 40 IKAB CC[C@H](C)c1ccc(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)cc1 13095973 UWRDENWCRGEYOC-HNNXBMFYSA-N 428.579 5.121 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccccc2)cc1 13119633 BWELKUYWTJPBDZ-JYFHCDHNSA-N 428.532 5.435 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N[C@H](c1ccccc1)c1cccs1 13121504 KFIKBTHIIJOROU-JOCHJYFZSA-N 446.601 5.204 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1)c1ccncc1 13266699 KEYIAFFULNHAJL-UHFFFAOYSA-N 446.576 5.317 0 40 IKAB Fc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Br)cc1 13424673 ZVIZGNNSIIPRDJ-OAQYLSRUSA-N 429.720 6.597 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCCc4ccccc4)cc23)cc1 13564700 SAQGNAISINCNTM-UHFFFAOYSA-N 434.543 5.022 0 40 IKAB COC(=O)c1sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c(C(=O)OC)c1C 13953933 FLILQGKQDCXIQA-UHFFFAOYSA-N 437.926 5.059 0 40 IKAB Cc1cccc2sc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)nc12 15882404 WRCURMIJRQNCDU-UHFFFAOYSA-N 429.545 5.359 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cccc(Cl)c1Cl 16383826 ZUIUEPHJOLSPET-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB CSc1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)n1 16741973 YTPZFHBEJBSRRT-UHFFFAOYSA-N 441.871 5.221 0 40 IKAB Cc1ccc(C(=O)Cn2nc(CNc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)cc1 16769714 CUGSXSZFXYUYCU-UHFFFAOYSA-N 448.979 5.860 0 40 IKAB CCOc1ccccc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 16769817 GSSCUXIHNQYMBG-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC[C@@H]4C)cc3)o2)cc1Cl 17099341 ALRSFAWPONPRLK-LLLGYDHXSA-N 434.967 6.939 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1 17100965 RNFWQWYSXVDVQM-UHFFFAOYSA-N 436.964 6.758 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)C2)cs1 19571736 SDDXBWHFCVIMCD-HYVNUMGLSA-N 436.572 5.093 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CN(Cc1ccncc1)C1CC(C)(C)NC(C)(C)C1 19578325 ZJBHBOSPOMQMCB-UHFFFAOYSA-N 445.655 5.255 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)cc1 19648301 SVOROPDVUQRPGI-INIZCTEOSA-N 448.950 6.988 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(Cl)cc2)o1 20139898 YWEOZXBCQIFVRL-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c2ccccc2)cc1 20450755 TVSIYSHEFIBLMM-LJAQVGFWSA-N 432.567 6.077 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3n2)cc1Cl 20610759 IEFKMGJHAYFUGE-UHFFFAOYSA-N 436.899 5.122 0 40 IKAB Cc1cc(OCC(=O)N(Cc2ccc(Br)o2)c2ccccn2)ccc1Cl 28287220 MOZRCGFRXHUCPB-UHFFFAOYSA-N 435.705 5.011 0 40 IKAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(C)cc4)nn3)n2)cc1OC 33262446 MTVLCRZXLLTKCU-UHFFFAOYSA-N 434.521 5.202 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccccc2Oc2ccccc2)nc1-c1ccccc1 33875608 PJVGIOACNXNZAF-UHFFFAOYSA-N 444.512 6.031 0 40 IKAB CC(C)c1cccc(C(C)C)c1-n1cc[n+](-c2c(C(C)C)cccc2C(C)C)c1C(=O)O 34850040 YJFHWSQOLOIECF-UHFFFAOYSA-O 433.616 6.946 0 40 IKAB COC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2OC2CCCC2)cc1 36612792 ZLXOXHGJVWHURN-RUZDIDTESA-N 442.515 5.566 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)ccc21 39858283 GDIMDQDVSGWCRQ-OAHLLOKOSA-N 437.337 5.983 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cc1 44086037 NIPQGBZHZWCCLA-UHFFFAOYSA-N 425.557 5.529 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccc(F)cc2)cc1 44087095 RUFQRNLCAABEFD-UHFFFAOYSA-N 438.553 5.483 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3)CC1)CC(C)(C)O2 44855232 IFCLWMMMNKJXTD-QFIPXVFZSA-N 426.988 5.279 0 40 IKAB COc1nc(-c2ccccc2)nc(Cl)c1NC(=O)COc1ccc(Cl)cc1Cl 44974305 AYNULYJJGCOJGK-UHFFFAOYSA-N 438.698 5.130 0 40 IKAB CCCCOc1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 57317324 DAKCGAYINMYAOL-UHFFFAOYSA-N 444.856 5.038 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)o1 59179534 BSQIGWNLAWJGDG-UHFFFAOYSA-N 439.581 5.682 0 40 IKAB CC(C)N(CC[C@H](c1ccccc1)c1cc(C(=O)O)ccc1OCc1ccccc1)C(C)C 59199502 KJWIVHKZEWPBJI-AREMUKBSSA-N 445.603 6.605 0 40 IKAB COc1cccc(Cn2c(SCc3ccccc3F)nc3c(oc4ccccc43)c2=O)c1 67259840 BIOPEPVIJNRNQY-UHFFFAOYSA-N 446.503 5.631 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72215189 CLTPWBPPGYFHIZ-QGZVFWFLSA-N 449.592 5.499 0 40 IKAB COCc1cc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)ccc1OC(C)C 72375843 BCVAAKQKDOUWMU-OAQYLSRUSA-N 438.597 5.552 0 40 IKAB COc1c2c(cc3c1[C@@H](C/C(C=C[C@@H]1C(C)=CCCC1(C)C)=N/O)N(C)CC3)OCO2 85893486 SVSPODGIYWQUSW-SPLQMDNUSA-N 426.557 5.112 0 40 IKAB biogenic Brc1ccccc1-c1nnc(CN2CC=C(c3cncc4ccccc34)CC2)o1 96012869 HXRDVHXAIXXLPM-UHFFFAOYSA-N 447.336 5.337 0 40 IKAB CCC12C[C@H]3C[C@H](C1)CC(P(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)(C3)C2 102129274 FUEYLKINWIXRMF-WSQGFLFRSA-N 434.520 7.682 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 102723267 VFLVERBIEIQBPN-QHAWAJNXSA-N 439.298 5.045 0 40 IKAB Cc1cccc(OCc2n(CC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)c3ccccc3[n+]2C)c1 103796937 UMEWCIAJSNIUJY-VIICAESSSA-N 449.615 5.357 0 40 IKAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc12)[C@@H]1C[C@@H]1C 107508384 GTPJOUCVMBDGOE-VBRRKGIISA-N 446.616 5.593 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 108139891 UCFDSUNMWMQDBK-UHFFFAOYSA-N 429.781 6.297 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222624268 JLEBYIGHNCBTSC-VGSWGCGISA-N 449.422 5.301 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 222704460 RLPCEXBWYALLMG-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)c(C)c1 223964040 LYGPEZPDLMBSLA-QFIPXVFZSA-N 440.540 5.124 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)cc1C 223971243 ZKLBBCNPTJKIOY-UHFFFAOYSA-N 434.989 5.068 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 224070151 XKIGWVGUVOVUOQ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3C)c2)cc1Cl 224118048 UCGYRJGDGDVBMI-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224258065 PIWBLQZRTHNRQF-HHHXNRCGSA-N 442.603 5.461 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cc(C)cc(C)c1C 224606939 MBFODMVNLZIJOP-UHFFFAOYSA-N 437.967 6.173 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccccc1-c1ncc(-c2ccccc2)o1 224893974 AUXXVDGIWKTAHW-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 224900224 OHNJNURBUQBMAC-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1 238739278 VKFYBVXBUHHZMW-ITJTUXTASA-N 442.728 7.141 0 40 IKAB biogenic,in-vitro CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253572752 QOGRGOCYMYDUNM-WHSLLNHNSA-N 434.971 5.924 0 40 IKAB CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@H]32)c2ccccc21 257199329 ZSAFBTBLHQRTRB-ZICYKWEPSA-N 445.651 5.576 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(F)cc1 408603659 CFELPKOKCWJSQQ-UHFFFAOYSA-N 429.875 5.767 0 40 IKAB CCN(c1ccc(C(=O)Nc2cccc(C)c2)cc1)S(=O)(=O)c1ccc(SC)cc1 408703161 PGIXJHNMVVNTGC-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB Cc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1Cl 408703218 OTTZHYURNFOOFT-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409085714 CUTKYINJFSPFFL-ODLFYWEKSA-N 444.940 5.031 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)C1=O 409104780 ICXOUUCJEKAADT-CXUHLZMHSA-N 426.296 5.768 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1cccc(Cl)c1 409112227 BISVGMZNOIUMKW-JCMHNJIXSA-N 433.935 6.225 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(F)c1 409129447 GRMDZSPTFHAMMY-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)o1 409167573 ITIHVGCIFDXTMH-UDWIEESQSA-N 425.893 5.845 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 409176759 WYOLOBCHHXXWQP-UHFFFAOYSA-N 449.937 7.502 0 40 IKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)c2ccc(Br)cc2)C1=O 409225684 NRLQDWNGFRHLPR-UFTLPMNOSA-N 442.334 5.315 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(Cl)cc1 409360561 AYWMQNYAZIJQFL-SXGWCWSVSA-N 425.815 5.278 0 40 IKAB Cn1c(CNC(=O)N2CCc3sccc3[C@H]2c2cccs2)nc2cc(Cl)ccc21 548333211 DCUWILJDNRZGKV-FQEVSTJZSA-N 442.997 5.207 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3ccccc3C)Cc3ccccc32)c1 643563461 WXFAYFRMQSQWFV-UHFFFAOYSA-N 442.603 6.227 0 40 IKAB Cc1cccc(-c2ccc(CN(C(=O)Nc3ccc(C(F)(F)F)cc3)C(C)C)s2)c1 1615054724 AWQUKYWYXLRHER-UHFFFAOYSA-N 432.511 7.185 0 40 IKAB CN(C)c1ccc(OP(Oc2ccc(N(C)C)cc2)Oc2ccc(N(C)C)cc2)cc1 2382215878 SCUCJZULNMTNEH-UHFFFAOYSA-N 439.496 5.648 0 40 IKAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 843542 QIPZVDQHCSKCMN-GOTSBHOMSA-N 430.870 5.283 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(OC)c(OC)c1 934501 DDQWNBNEKIWPCO-UHFFFAOYSA-N 439.533 5.478 0 40 IKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@H](CC)Oc2ccccc2)cc1 973462 CXFPJVZGEIOXAC-ZEQRLZLVSA-N 432.520 5.279 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 1239331 VRLSYFZWMYQEAB-UHFFFAOYSA-N 439.993 6.310 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)C(=O)Nc3ccccc3)cc2c1 1327188 QOKCZKYQWHGJRB-UHFFFAOYSA-N 439.559 5.676 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 1359529 PPZPHNIDMQWEJE-QFIPXVFZSA-N 441.506 5.414 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(Cc3ccco3)C(=O)c3cccs3)cc2c1 1367888 OTQQVVBNTPABKM-UHFFFAOYSA-N 426.925 5.784 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CC[C@H](C(C)(C)C)C2 1921912 WNUGHISEENSMLX-KRWDZBQOSA-N 435.589 6.481 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cc(C)cc(C)c1 1944156 KMUHUFNWYCADRJ-UHFFFAOYSA-N 427.497 5.365 0 40 IKAB COP(=O)(OC)[C@@H](OC(=O)Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2144676 CDMXYWJALODUKY-SECBINFHSA-N 444.557 5.436 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4SC=C(c5ccc(Cl)cc5)N42)c2ccccc2CC3)cc1 2365723 RLYGPIXLJUPEKH-RUZDIDTESA-N 444.962 7.295 0 40 IKAB O=C(Oc1ccc2c(=O)c(-c3ccc(Br)cc3)coc2c1)c1cccs1 2404492 KUYNDXUXOSVHHN-UHFFFAOYSA-N 427.275 5.503 0 40 IKAB biogenic O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccccc1Cc1ccccc1 2726221 XLVJLJNBMPOMPS-UHFFFAOYSA-N 443.359 5.358 0 40 IKAB CCc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 2738317 LIJPMPOLSQQHPI-UHFFFAOYSA-N 431.333 6.479 0 40 IKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc2c1Br 2786968 IJWAKMQNQIHNTF-UHFFFAOYSA-N 425.035 5.793 0 40 IKAB O=C(Oc1ccccc1)Oc1ccc(OC(=O)Oc2ccccc2)c(Br)c1 3209184 XQKOEUHNROHSQH-UHFFFAOYSA-N 429.222 5.605 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c(C)c1 3244104 WXONBGHMUGFLBA-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C)cc1Cl 3351008 MTKBBVUXSBDAMV-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 3473690 CGMRKTHEUQLHGX-UHFFFAOYSA-N 449.528 5.370 0 40 IKAB CCOC(=O)C(C)(C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658663 GTOPCSJWHPPSOX-UHFFFAOYSA-N 435.524 5.660 0 40 IKAB Cc1cc(C)cc(OC[C@@H]2[C@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 4773620 GFOMBTVDBJDWDJ-ILBGXUMGSA-N 435.951 5.795 0 40 IKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 6161557 ZUCQQKRXMIGMTO-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)n1-c1ccccc1 6245214 KILYMJWXNXDSPO-GOSISDBHSA-N 444.560 5.371 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4)c(N)c23)cc1 6246575 PQHMTAPTCNZDKN-UHFFFAOYSA-N 435.552 6.773 0 40 IKAB Cc1nnc2sc3c(=O)n(-c4ccc(Cl)cc4)cnc3c2c1/C=C/c1ccccc1 8411849 GKRYJMCOMOKTOU-KPKJPENVSA-N 430.920 5.523 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cccnc4s3)c2C)cc1OCC 8587880 QLKVNPNWJPRMHA-UHFFFAOYSA-N 433.533 5.716 0 40 IKAB c1ccc(CN(/N=c2/cc(-c3ccccc3)n(-c3ccccc3)cn2)c2ccccc2)cc1 8742298 BKLYRSLOEVEPAG-YCNYHXFESA-N 428.539 6.062 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1 8831003 OMWJUCRHGYXMBR-NTEUORMPSA-N 447.947 5.352 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 8831850 YJSKDZKFCSCFOU-UHFFFAOYSA-N 444.943 7.437 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@@](=O)Cc1cccc(C(F)(F)F)c1 8857029 DSQDJHDSILHETH-WJOKGBTCSA-N 442.458 6.132 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 8915809 FLCFQAXSYIAECY-LJQANCHMSA-N 445.950 5.576 0 40 IKAB COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@H]2c2c(C)[nH]c3ccccc23)cc1 9095200 COWMYABBVGPCET-SANMLTNESA-N 439.515 5.059 0 40 IKAB Oc1cc(OCc2ccccc2F)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 9130578 ZTRAKGGSZSVUHY-UHFFFAOYSA-N 439.284 5.930 0 40 IKAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccc(C)cc1 9188331 RLEIWRDZRSPTIL-UHFFFAOYSA-N 445.628 6.213 0 40 IKAB CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2C)cc1 9391310 GTAZRXPDQHXRSW-RUZDIDTESA-N 445.559 5.393 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)c1 9412510 KGQUFSATJGFEHP-DEOSSOPVSA-N 442.588 5.724 0 40 IKAB Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)Nc4ccccc4O)CC3)c12 9504181 PIFTZPPKRQNFAR-UHFFFAOYSA-N 444.560 5.227 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4ccc(Cl)cc4o3)cs2)cc1 9535776 VUGRMRGUQLZLKB-UHFFFAOYSA-N 429.954 5.720 0 40 IKAB Cc1oc2cc(OCC(=O)N3c4ccccc4C[C@@H]3C)ccc2c(=O)c1-c1ccccc1 9789858 GMCLWPPDJOQNOT-KRWDZBQOSA-N 425.484 5.125 0 40 IKAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 9848362 JSZUMIQDTMJTQL-MLGOLLRUSA-N 427.401 5.059 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2C)cc1 10333060 BWOPHFPVXIQPJU-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3c(C)nn(Cc4ccccc4Cl)c3C)c2)cs1 12693076 XBNQHDCEUJKLNC-UHFFFAOYSA-N 436.968 5.886 0 40 IKAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2cccc(OCc3ccccc3)c2)s1 12727472 MTSWKNHUOGEWGW-QNGOZBTKSA-N 447.947 6.106 0 40 IKAB Cc1cc2occ(CC(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)c2cc1C(C)C 13096037 IDQZIVWTCLSNIQ-UHFFFAOYSA-N 442.441 5.645 0 40 IKAB O=C(c1ccccc1)c1ccc(OCC(=O)N(Cc2ccco2)Cc2cccs2)cc1 13128074 NNSONAVAUXVFDC-UHFFFAOYSA-N 431.513 5.180 0 40 IKAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc2c(c1)OCO2 14484904 KJEXSRDVMLFBTI-GOSISDBHSA-N 440.499 5.547 0 40 IKAB COc1ccc(CN(C(=O)c2cc(Br)c(Br)s2)C2CC2)cc1 15034714 NGBTZXSXJWZCOL-UHFFFAOYSA-N 445.176 5.087 0 40 IKAB Cc1c(C(=O)N2CCC(c3nc4ccccc4o3)CC2)oc2ccc(Br)cc12 15832107 RZTNUFWCVBPRJS-UHFFFAOYSA-N 439.309 5.665 0 40 IKAB CCN(C[C@@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 16043567 BYDLRSWUPWDWLT-KNSFSRGUSA-N 447.663 6.043 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(C)c(O)c(-c3nc4ncccc4o3)c2)cc1Cl 16269602 ZOYGEIYAIYHILQ-UHFFFAOYSA-N 444.274 5.472 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2cc(Cl)ccc2s1 16385138 HWXOEOBPUMDXHH-XBXARRHUSA-N 449.746 7.168 0 40 IKAB COc1cc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)ccc1C 16778774 MFASIAOHSCOZTO-JOCHJYFZSA-N 449.890 5.410 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc4ncccc4o3)cc2C)cc1Cl 17095691 SBUIHBKDSUURJI-UHFFFAOYSA-N 428.275 5.766 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccccc2)cc1 17099217 WXIDRVINSIASCZ-UHFFFAOYSA-N 434.870 6.153 0 40 IKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 18587211 VVKPJIIRWXPSRM-LLVKDONJSA-N 425.863 5.730 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 20058986 MFEDTFBAOZQMPM-OSPHWJPCSA-N 441.487 5.221 0 40 IKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(c3ccccc3)C23CCCCC3)n1 20744636 NYBDCBSLXZLQJC-OAQYLSRUSA-N 431.561 5.537 0 40 IKAB C[C@H](c1nnc(-c2cccs2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22790787 SAMOERHBQIGBJM-LJQANCHMSA-N 430.577 5.266 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c(C)c1 23830595 XSCWMZVFRMBYCP-RUZDIDTESA-N 433.527 5.001 0 40 IKAB CCOC(=O)CNC(=O)c1cc(-c2cc(Cl)c(Cl)c(Cl)c2)nc2ccccc12 26780160 AJHINYRKBDWBMY-UHFFFAOYSA-N 437.710 5.155 0 40 IKAB Cc1nc2cc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)ccc2n1-c1ccccc1 28294774 FTCLDJUSEXPFQO-UHFFFAOYSA-N 431.495 5.817 0 40 IKAB Cc1ccc(-c2noc(CN(C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)n2)cc1 28730225 UYUGHIKDWLCEDL-UHFFFAOYSA-N 435.959 5.192 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 32126314 WBOFDCLMPRTZDO-UHFFFAOYSA-N 448.519 5.606 0 40 IKAB O=C(COc1ccc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1Cl 33739769 MUKMIXJAZZWIIG-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB CCOC(=O)c1sc(N(C(=O)c2ccc(Cl)c(Cl)c2)C2CCCC2)nc1C 36612027 BCLINMIMPFBMDA-UHFFFAOYSA-N 427.353 5.524 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501255 XNELXQGQNCXHSL-UHFFFAOYSA-N 439.849 5.635 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@@H]3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 39933105 JVNLDEJCBDVFDF-VFCIFFJQSA-N 444.744 7.221 0 40 IKAB biogenic,in-vitro Cc1csc(CNC(=O)c2cc(-c3cc(C)sc3C)nc3c2cnn3C(C)C)n1 40037480 TUPIINWWFZAVKB-UHFFFAOYSA-N 425.583 5.052 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(C)c1 40098588 PEMINLRVPDDFMV-UHFFFAOYSA-N 427.854 5.386 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nc2ccccc2c1=O 57472554 AKKHPOLPUVRIJH-UHFFFAOYSA-N 449.498 5.192 0 40 IKAB CC(C)(C)[C@H]1CCc2nc(-c3cccnc3)nc(Nc3ccc(C(F)(F)F)cc3)c2C1 57774938 MBBXLSLAMVTEEZ-KRWDZBQOSA-N 426.486 6.452 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5ccccc5C)c(=O)c4c3C)n2)c1 67260270 QPKOIGANXFJIOG-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB CCc1ccccc1Nc1nc(C)c(C(=O)NCc2cccc(Br)c2)s1 71326549 QBKZFJLFCCQJEO-UHFFFAOYSA-N 430.371 5.450 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 72353246 DBSLCNJEYVIYDA-QHCPKHFHSA-N 430.552 5.179 0 40 IKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 95115697 XJHIYPJJISFYQX-IQGLISFBSA-N 432.951 5.916 0 40 IKAB Cc1cccc(-c2ccc3nc(C4CCN(C(=O)c5ccc(Cl)c(C)c5)CC4)nn3c2)c1 96155837 QTWOXANVNHGHKJ-UHFFFAOYSA-N 444.966 5.686 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)NCCc2c[nH]c3ccccc23)C12CCCC2 96344107 MEHLZIKREJFBQD-RUZDIDTESA-N 443.591 5.179 0 40 IKAB CC1=C(CC(=O)Nc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101460212 BNOFGSHODHMIEE-JELJHHCJSA-N 432.520 5.315 0 40 IKAB O=C(Nc1ccc(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)cc1Cl)c1ccc(Cl)cc1Cl 102042146 OSRLTIMBRVXDOQ-ZIAGYGMSSA-N 449.721 5.355 0 40 IKAB CCCC[C@H]1c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC 102921367 PMONBFSPMKSPTJ-OUYJLQGDSA-N 444.575 6.153 0 40 IKAB O=S(=O)(Cc1ccc(F)cc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208006709 QAUBJFNHHMFHAJ-UHFFFAOYSA-N 440.525 5.030 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1Cc1ccccc1F 214351251 SYCFQFUQLQTMFH-YBFXNURJSA-N 447.409 6.341 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 222415285 VQLFGKLVIXXPNA-HSZRJFAPSA-N 426.626 5.118 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223376286 QDZXRCCCAZWPMH-GOSISDBHSA-N 449.422 5.486 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 223720735 CCTPWROHVOFMKG-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 223971790 KIRNDKAPVFNGIM-HXUWFJFHSA-N 430.614 5.359 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccccc3Cl)no2)c1 223976274 YMOGPZSUUJAPEZ-MRXNPFEDSA-N 427.932 5.248 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)c1 224054136 WTWIKIPDSXINSG-LJQANCHMSA-N 444.616 5.008 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224184516 GIENTOXTQLNOKH-ZEQRLZLVSA-N 445.975 6.481 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(-c2ccccc2)cc1 224218335 XGPSVRYUPXTEOR-UHFFFAOYSA-N 439.511 6.202 0 40 IKAB Cc1cc(C)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224271315 CNFCEIWPWDPMDO-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224363406 VRFVULCKIQAHKV-DQEYMECFSA-N 430.621 6.299 0 40 IKAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccc(Br)cc1 225609024 FWNOOSBBSZDQFQ-UHFFFAOYSA-N 429.836 5.712 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2)c1 225699733 LTEHYAKROBLRHC-FQEVSTJZSA-N 445.813 6.487 0 40 IKAB CCCSc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)s1 225838129 DQGQMLXBMLJJOJ-UHFFFAOYSA-N 444.420 5.118 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 226093847 FBRXNVUUDLXNNE-ZDUSSCGKSA-N 439.353 5.258 0 40 IKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccccc2Br)c(Br)c1 226341344 YOBWLLWJEATCOB-AATRIKPKSA-N 446.522 5.542 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@@]54C)[C@@H]2[C@H]1OC3 245380357 XGDVSJLOTVQNKY-LCDIDDBQSA-N 440.712 7.446 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3ccc(F)cc3[nH]2)o1 257232221 GJWGMJFYLBQYIH-QFIPXVFZSA-N 433.483 5.262 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4sc(C)nc4C)C3)c2)c1 257308299 TWFVNSKPCSNUKJ-GOSISDBHSA-N 436.581 5.235 0 40 IKAB COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1Cl 408578208 WUBUCUKLMIPWHK-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)c(-c2ccccc2)s1)c1ccccc1Cl 408723639 YPEKPXQSMBCVKO-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408816213 XYZBWDQPYARYBS-WZHRTBHDSA-N 430.597 6.530 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)cc1Cl 408818929 YXXFXXWZTZTEQX-NVMNQCDNSA-N 438.332 5.637 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccccc1Cl 409114385 JJJADLOGUOKRRW-QNGOZBTKSA-N 433.935 6.225 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409114644 KRPGHCZPUZTTLS-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB 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)N(C)C1 2060999722 QFHXSIDXKCKLAC-DPUAHJSPSA-N 429.689 5.264 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1 848362 SFHXBOVAGNPHGU-UHFFFAOYSA-N 427.740 5.712 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919285 RZPAXJUQVLFKQV-MAUKXSAKSA-N 432.446 5.686 0 40 IKAB Cc1ccc(NC2=C(Cl)C(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1Cl 938223 JJMDISTWMUFYME-UHFFFAOYSA-N 430.118 5.387 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(Cl)cc2)NC(=O)N1Cc1ccccc1 956360 VVHHAZCCFUTJML-XMMPIXPASA-N 446.934 5.624 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1cccc(F)c1 1339115 QITWYFDJAVJVAF-XMMPIXPASA-N 449.501 5.197 0 40 IKAB O=C(Nc1ccc(Cc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Cl)cc1 1392030 WKAJLWHPNIJUDZ-UHFFFAOYSA-N 425.237 6.250 0 40 IKAB CC(C)Nc1nc(N)nc2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)nc12 1600324 IUJVZZHXALKKFE-UHFFFAOYSA-N 425.323 5.463 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)o1)CCCC3 1902718 ZYZOXSFQTALFOF-UHFFFAOYSA-N 438.520 5.753 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 2069029 CGVDDQVEPZWNIJ-RUZDIDTESA-N 434.377 6.584 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2105786 RAEMKNYLNUMZEW-NRFANRHFSA-N 436.599 7.154 0 40 IKAB Cc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1C 2116907 ZLWOHOYSRIVLQH-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O 2193995 QRMOQAQBVLGPTD-UHFFFAOYSA-N 447.466 5.341 0 40 IKAB biogenic O=C(Nc1ccc(Cl)cc1)Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 2385468 KCHIBBWZMIBWJN-UHFFFAOYSA-N 442.224 6.844 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1 2593064 ORDJOOCHGZJTQY-GOSISDBHSA-N 427.500 5.991 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)cn(Cc2ccc(Cl)cc2Cl)c1=O 3041791 CHIWQYQURRMHSQ-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB O=c1c2ccccc2nc(SCc2csc(-c3ccccc3)n2)n1-c1ccc(F)cc1 3231084 YUGZLHDILYRRJW-UHFFFAOYSA-N 445.544 5.941 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc3n(-c4ccccc4)c(=O)c4ccccc4n23)cc1 3292862 RHRFAGMRYLTTNO-UHFFFAOYSA-N 440.572 5.623 0 40 IKAB CC(C)Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)s1 3435556 FRONEQAYKODZPQ-UHFFFAOYSA-N 428.970 5.919 0 40 IKAB CC[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC)C(=O)OC 3658725 CCPGULAPWHKWQR-FQEVSTJZSA-N 433.533 5.140 0 40 IKAB O=C(Nc1ccccc1CCCCc1ccccc1NC(=O)c1ccccc1)c1ccccc1 3845165 VHMIFBSSXULLCU-UHFFFAOYSA-N 448.566 6.757 0 40 IKAB biogenic CCCCCC[C@H](CCCCCCCCCCC(=O)OC[C@@H](C)CCC)OC(=O)CC 4897244 DHZVTDROULFHNL-LOSJGSFVSA-N 440.709 8.159 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3F)s2)cc1 8439997 SKXDTWYOQXXOQF-UHFFFAOYSA-N 445.585 6.181 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 8453790 VKPWWTWMAVNDQQ-PKXQOCIKSA-N 443.628 6.317 0 40 IKAB O=C(Cn1c(=O)nc(-c2ccccc2)c2ccccc21)Nc1ccc(Oc2ccccc2)cc1 8757190 JLMLOTCDVHBZRW-UHFFFAOYSA-N 447.494 5.495 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(O)c1 8820714 CMQBMJZXIPUAGE-ZDLGFXPLSA-N 432.284 6.200 0 40 IKAB COc1ccc(NC(=O)c2cn(Cc3ccc(F)cc3)nc2OCc2ccc(F)cc2)cc1 9101210 HZVAQRIMIVYNBF-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB COc1ccc([C@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 9185324 KYVWHOUGNSMFTK-KGPYPHOUSA-N 444.575 5.155 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2cccc(C)c2)cc1 9250241 YTXXOPDOODPGSK-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB O=C1Cc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc2N1 9254327 GQZBFUROLUUPSF-UHFFFAOYSA-N 425.513 5.075 0 40 IKAB COc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308643 MGLLAYOEPRNALP-TZIWHRDSSA-N 434.337 5.954 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 9309788 CLGLAHGFJQRIDE-FGZHOGPDSA-N 448.313 5.193 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9355416 VCYKYQXSFNQKGG-ACSYHNTCSA-N 428.535 7.141 0 40 IKAB CC[C@@H](C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccccc1 9518493 JNYYMNUFVOKABA-GOSISDBHSA-N 442.471 5.546 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2C)c1 9570143 OWUMURJATTVXCW-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1ccc(N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1Cl 9606491 FATPFCKTVSKHMW-FQEVSTJZSA-N 428.294 6.692 0 40 IKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9608151 UQHNETBLBCCRSD-QGZVFWFLSA-N 434.536 6.034 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 9850712 GRTKOMNUXFCLPL-OAHLLOKOSA-N 425.315 5.237 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)Nc1ccc(Cl)cc1)CC2 9949997 RPJHSGIPQHPNOE-OAQYLSRUSA-N 428.941 5.598 0 40 IKAB COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1cccc(F)c1)CC2 11726252 QTZMKDWAYQLITP-DEOSSOPVSA-N 449.522 5.278 0 40 IKAB CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3ccc(N(C)C)cc3)c12 12500106 MAUVMKKNROUEEV-UHFFFAOYSA-N 426.611 5.236 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccc(OC)c(Cl)c3)c3ccccc3C2=O)cc1 12603264 BYRCEILJFFJPJL-QNGOZBTKSA-N 448.906 5.387 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12622857 ITWORVGPMIAHMC-SNVBAGLBSA-N 441.771 5.343 0 40 IKAB COc1ccc(-n2c(SCC(=O)N3c4ccccc4C[C@@H]3C)nc3ccccc32)cc1 12657775 VGDGWAFHDCHMDE-KRWDZBQOSA-N 429.545 5.104 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Br)c1)O2 13511030 ANQNCBIYXZXRGW-IFMALSPDSA-N 439.740 6.345 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccccc1)N(c1nnc(CC(C)C)s1)C3=O 13786172 IXPJGZQLQJOSEA-OAQYLSRUSA-N 445.544 5.210 0 40 IKAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14269964 UGXVYASMSLDJCQ-UHFFFAOYSA-N 443.714 6.173 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)o2)cc1 15947805 IUNOCORREBYTMT-YEJXKQKISA-N 436.533 5.739 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 16033389 OTNJZKCUWMEFEG-XHDPSFHLSA-N 446.400 6.281 0 40 IKAB CCOC(=O)c1c(C)n(CCOc2ccc(Cl)cc2C)c2c1cc(O)c1ccccc12 16683029 AOXANOQSISKBKU-UHFFFAOYSA-N 437.923 6.026 0 40 IKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)sc2c1CCCC2 17095200 QXTWKIGFGRQQDT-ZRDIBKRKSA-N 426.925 5.291 0 40 IKAB O=C(Nc1c2c(nc3ccccc13)N(Cc1ccccc1)CC2)C12CC3CC(CC(C3)C1)C2 18142462 MXCTUWTYSBLDEZ-UHFFFAOYSA-N 437.587 5.952 0 40 IKAB Cc1nc(-c2nc(N[C@@H](C)c3ccccc3)ncc2-c2ccccc2F)sc1CCO 19560955 UWMSWBWZQBKMHJ-HNNXBMFYSA-N 434.540 5.423 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4c(C)nn(C(C)C)c4C)C3)nc2)c1 19690229 GEOHUZFSKXDHOM-XMMPIXPASA-N 432.612 5.455 0 40 IKAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1OC 19691497 NTLWKXQOCXUOGF-HSZRJFAPSA-N 434.511 5.120 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccc(F)cc2)nc2c1CCC(=O)N2Cc1ccccc1 19703732 NFIUWGSJXKLXQO-DEOSSOPVSA-N 444.554 5.131 0 40 IKAB Cc1cccc(-c2csc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)n2)c1 19873233 VGBYLNJNMUJJPS-UHFFFAOYSA-N 425.601 6.030 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1-c1ccc(CO)o1 20144820 AXVIXTNLQUGCHW-UHFFFAOYSA-N 444.325 5.306 0 40 IKAB Cc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 20876537 AOYAZTAJZFONSO-UHFFFAOYSA-N 430.773 6.280 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(c2ccccc2O)CC1 23076656 YCAOKGKUYYWIJE-UHFFFAOYSA-N 443.934 5.223 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccccc4Cl)ncnc3[C@H]2C2=C1CCC2 26464426 SHQASUGBCQYCKT-KNQAVFIVSA-N 442.053 7.063 0 40 IKAB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3cccc(Br)c3)nc12 27117644 DXCKIMWKNLYFMQ-UHFFFAOYSA-N 431.131 5.532 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSc1ccccc1)CC2 29701137 PBAJSDZCLXJSOX-HSZRJFAPSA-N 425.575 5.032 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(-c2ccccc2)cc1 32116399 GRNSTJQRADDGAH-UHFFFAOYSA-N 447.126 5.837 0 40 IKAB COc1cc2c(cc1NC(=O)CSCC(=O)N(C)C1CCCCC1)oc1ccccc12 33005205 JBPPCVXDVKVVDA-UHFFFAOYSA-N 440.565 5.057 0 40 IKAB COc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 33599717 OCQHDBKAHXKJBZ-UHFFFAOYSA-N 440.790 5.461 0 40 IKAB COc1ccc(Cn2cnc3c4ccccc4n(Cc4cccc(Cl)c4)c3c2=O)cc1 35400199 MLNBTNXWHATZRG-UHFFFAOYSA-N 429.907 5.110 0 40 IKAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3ccc4ccccc4c3)nc21 36617091 NBRYFQPHPIPKAJ-LBPRGKRZSA-N 429.467 6.264 0 40 IKAB COc1cccc(N2CCN([C@H](C(=O)c3c(C)[nH]c4ccccc34)c3ccccc3)CC2)c1 37100526 QMBVBIABUPVZDO-MHZLTWQESA-N 439.559 5.231 0 40 IKAB CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 39427769 IBAUGCWVSWQYMK-HSZRJFAPSA-N 431.540 5.083 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1)c1ccc(Cl)cc1 39768706 DPQFNTAMMNNEFK-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)cn2)c1 49422205 AMDNVFLAIJPMGQ-UHFFFAOYSA-N 444.922 5.398 0 40 IKAB Cc1ccc(-c2csc3nc(CN(Cc4ccc(F)cc4)C4CC4)[nH]c(=O)c23)s1 57332106 VKIBFXXFXNUEST-UHFFFAOYSA-N 425.554 5.325 0 40 IKAB COc1ccc(CCN(C)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)cc1OC 58010620 HHKOZMZTRNTEKU-RBUKOAKNSA-N 436.577 5.064 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1cccc2ccccc12 59417557 AKEDGLDLFHWXMX-UHFFFAOYSA-N 427.554 6.389 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2F)n1Cc1ccc(Cl)cc1 67259600 MIBSYHBNBYLNRP-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 72370050 ZQBCOKRNRIDJRM-DEOSSOPVSA-N 443.526 5.223 0 40 IKAB Clc1cccc(OCCc2cc([C@@H]3CCN(Cc4ccc5ncccc5c4)C3)n[nH]2)c1 72371479 OZUFFOKXIVIYOV-HXUWFJFHSA-N 432.955 5.222 0 40 IKAB C[C@@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 89904641 YPXTYXXBGCLIID-ZMZPIMSZSA-N 434.439 5.132 0 40 IKAB COc1ccc(-c2nn3c(nc2=O)-c2ccccc2NC32CCC(C(C)(C)C)CC2)cc1 101892796 FCVLDYMVOUTRPM-UHFFFAOYSA-N 430.552 5.296 0 40 IKAB Cc1cc2c(cc1C)N(CC(=O)N[C@@H]1CCc3ccccc31)C(=O)CC(c1cccs1)=N2 101947660 XIVLOYZWPHNEAV-HXUWFJFHSA-N 443.572 5.026 0 40 IKAB CC[Sn](CC)(CC)O[Sn](CC)(CC)CC 195997633 VIULBFHXDPUWIL-UHFFFAOYSA-N 427.793 5.013 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 222791874 LTECIUXJVHBEQT-NRFANRHFSA-N 435.395 5.176 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 223023160 AAHWIWOIIVKFCG-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C 223509959 DIZYHALUHNZOGB-JWQCQUIFSA-N 439.588 5.057 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2ccc(C)cc2C)cc1 223547871 WJWFKYFRZNJQLF-UHFFFAOYSA-N 444.641 5.138 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 223871632 WUMNYRGWEBEGFM-GOTSBHOMSA-N 445.569 5.709 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224290206 JKXMDOGBFZKSJA-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccc(Cl)cc1 224454648 NJWCUZZCGXIFAR-VXKWHMMOSA-N 431.952 5.098 0 40 IKAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224483912 PORLTGKOEPMIDJ-DLBZAZTESA-N 430.396 5.391 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 224744961 IQTAZCZFACKRHR-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225015150 MVQWYPYRJLVNNO-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC(C)Sc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)s1 225096305 JQPXBFPOBUIAIH-UHFFFAOYSA-N 444.420 5.116 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)c1 225403274 PNTPHAZIWZQXLA-HXUWFJFHSA-N 430.548 5.454 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1 225610304 KRXVRKLLKGRCAZ-UHFFFAOYSA-N 434.030 5.077 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225670992 IGYACDGNAJAANE-JTSKRJEESA-N 449.422 5.648 0 40 IKAB O=C(c1ccc(OCc2ccccc2)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226363579 BUXNGLOUUNVLCX-UHFFFAOYSA-N 443.955 7.362 0 40 IKAB CCC/C=C/C=C/C[C@@H]1CC=CC=C(C)C=CC=C[C@H](O)[C@H](O)C=C(C)C=CC=CC(=O)N1 255261687 QUZNSWBEDCHESP-DWSMUJFWSA-N 449.635 5.573 0 40 IKAB biogenic,in-vitro COc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(C(=O)OC(C)(C)C)CC3)[C@H](C)O[C@H]21 257255153 KGISOKPPVBYJFA-XKGZKEIXSA-N 431.573 5.350 0 40 IKAB COc1ccc2c(CN3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 257269054 MOJUJYWNUJEASP-QFIPXVFZSA-N 443.566 5.691 0 40 IKAB COCCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 408574883 MIAQQIAXFQMONQ-UHFFFAOYSA-N 448.588 5.306 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 408677122 ANNXIBOTXLRDGN-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408749528 HJQVAULPRXVDBC-IRXDYDNUSA-N 442.993 5.922 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408980052 UCKFHAMEADBCCQ-GOSISDBHSA-N 443.510 5.345 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccccc1F 409118447 QEXNMYBTAFHJIY-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@@H]2CCCN3CCCC[C@@H]23)C(C)C)cc1 1565519844 JNOSKHWMPVDLKQ-ZKMPZPQNSA-N 427.633 5.078 0 40 IKAB biogenic CCC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 779480 DKKAEBNTCBNCFO-XMMPIXPASA-N 431.532 5.385 0 40 IKAB biogenic COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=S)Nc2ccccc2)cc1 884086 PQSFUBVZJZEYCZ-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1cccc2ccccc12 892280 LIBOHYUFGUUJHN-UHFFFAOYSA-N 440.322 5.383 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@H]1C 898900 BOWKEENIZXXJPN-CLOONOSVSA-N 430.523 6.139 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 1352831 GRBGHEUTRVEFGB-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB CCC(=O)N(CC[C@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccc(OC)cc1 1828402 GBUHOIAMRWKFKJ-RUZDIDTESA-N 431.576 5.859 0 40 IKAB biogenic O=c1c(Oc2ccccc2Br)coc2cc(OCc3ccccc3F)ccc12 1960880 KJNZWGONPIFJKQ-UHFFFAOYSA-N 441.252 6.066 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC(=O)c1ccc(C(C)(C)C)cc1 2069555 KVHVLUHIRVBCDO-UHFFFAOYSA-N 443.587 7.062 0 40 IKAB CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CC[C@H](C)C2 2085958 YIRJCPFRSLQWJM-HNNXBMFYSA-N 447.556 5.926 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2c1)c1ccc(Cl)cc1 2199174 QLDBCSILRWVSHU-UHFFFAOYSA-N 448.858 5.146 0 40 IKAB biogenic CC[C@@H](C)COC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2220187 GKVWBWRTQACDKR-CYBMUJFWSA-N 442.441 5.378 0 40 IKAB Cc1sc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1-c1ccc(Oc2ccccc2)cc1 2244629 ZMZROIJBMXHZHC-UHFFFAOYSA-N 440.572 6.878 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 2451771 QUCNMVIWRUSUFF-UHFFFAOYSA-N 432.549 5.441 0 40 IKAB COc1ccc(-c2nnc3c4ccccc4n(Cc4ccc(Cl)cc4)cc2-3)cc1OC 2691910 PACDGIJRKMJQEM-UHFFFAOYSA-N 429.907 5.922 0 40 IKAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2974809 BXZBKXGDMSWAKS-OAHLLOKOSA-N 426.442 5.553 0 40 IKAB Cc1nc(SCC(=O)c2ccc([N+](=O)[O-])cc2)sc1CC(Cl)(Cl)Cl 3132094 PPKAYBJSAAOXLR-UHFFFAOYSA-N 425.746 5.247 0 40 IKAB CCCOc1ccccc1NP(=O)(Oc1cccc(C)c1C)Oc1cccc(C)c1C 3177030 IGGYDALBKOJJOE-UHFFFAOYSA-N 439.492 7.387 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2)c1 3302736 WSHULJBVTGYSER-GDLZYMKVSA-N 449.550 6.436 0 40 IKAB CCCCN(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1cc(Cl)ccc1Cl 3310121 GZAXGCFAGVEOOL-UHFFFAOYSA-N 443.396 5.040 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1oc2ccccc2c1COc1ccccc1 3359215 WGBQGQISGUCSPH-UHFFFAOYSA-N 433.507 6.855 0 40 IKAB aggregator CC(C)c1cccc(C(C)C)c1NC(=O)NCC1(c2ccc(CN(C)C)cc2)CCCC1 3788657 NTMDCHVWUHHJAA-UHFFFAOYSA-N 435.656 6.629 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)c4ccco4)CC3)cc2)cc1 4109557 ASNKFHLHWVMBJQ-VGOFMYFVSA-N 443.547 5.017 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 4355950 IPCBCSZQVNQBLQ-UHFFFAOYSA-N 446.576 5.437 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)NC(C)(C)C)cc1 8386612 TYCSXLYCKWGVEI-QNGOZBTKSA-N 436.939 5.594 0 40 IKAB Clc1ccc(C2=NN(c3ccccc3Br)[C@@H](c3ccccc3Cl)C2)cc1 8427280 RDTKHQNQWPIAGQ-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB COc1cc2oc3ccccc3c2cc1NC(=O)c1c(-c2ccccc2Cl)noc1C 8440152 IQVYCFDTDLZHBO-UHFFFAOYSA-N 432.863 6.464 0 40 IKAB COc1ccc(/C=C2\NC(=S)N([C@H](C)c3ccccc3)C2=O)cc1COc1ccccc1 8455635 YAKAUQVPFDYFHK-MPGAHLTBSA-N 444.556 5.093 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 8717832 XIIOGCSGRHHHRZ-HNNXBMFYSA-N 449.551 5.643 0 40 IKAB CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCCC2)cc1 8763390 QMAOWZMZBBDZDA-OAQYLSRUSA-N 426.607 6.117 0 40 IKAB O=C(NCc1ccc(N2CCCC2=O)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 8774338 XWBHWMFDGBGDPR-UHFFFAOYSA-N 437.499 5.065 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1ccccc1C(F)(F)F 8791315 FWAVALAUKHZJFA-UHFFFAOYSA-N 428.233 5.239 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F)c1ccccc1Cl 8810376 XDIHTFLRWGARIV-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)C(=O)c2ccc(C)cc2)cc1 8873525 LZQKPYOWTWCLBC-UHFFFAOYSA-N 437.849 5.256 0 40 IKAB Cc1nc2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(Oc2ccccc2)cc1 8873591 HAFKSUPQWVXWBH-UHFFFAOYSA-N 444.534 7.822 0 40 IKAB CCCC[C@H](C(=O)Nc1ccc(Oc2cccc(C)c2)cc1)N1C(=O)c2ccccc2C1=O 9202225 ILHYXPDODDVSIG-XMMPIXPASA-N 442.515 5.581 0 40 IKAB c1ccc(-n2c(SCc3nnc(-c4cc5c(s4)CCCC5)o3)nnc2C2CC2)cc1 9353528 YEUVKUKRRVDXNK-UHFFFAOYSA-N 435.578 5.427 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 9371666 CDWCIJCYXBABAZ-FDDCHVKYSA-N 433.479 5.002 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 9371834 PAASGCQYBMQREW-VHQMJQKASA-N 437.495 5.108 0 40 IKAB CN1CCC(N(C)C(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 9510655 LSWWCKPXWTZFMV-UHFFFAOYSA-N 436.559 5.130 0 40 IKAB C[C@@H](Sc1nnnn1C1CCCCC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9514396 ALQDFUKQTDLTFB-LLVKDONJSA-N 444.611 5.058 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 9570886 IZVKJGDUUXQNSJ-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4cccc(Cl)c4)c3c2c1 9675891 OQEFTPOGBGTGLD-UHFFFAOYSA-N 427.891 6.071 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccnc2)cc1 10042102 QRNDTGNZHXIDQG-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB Cc1cc(C)c(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(Cl)c1 10120458 YHVHZYDKXFDWTL-UHFFFAOYSA-N 448.950 6.077 0 40 IKAB COc1ccc(SCC(=O)N(Cc2ccco2)c2nc3ccc(OC)cc3s2)cc1 10528408 QWMRGZHNHUMFOX-UHFFFAOYSA-N 440.546 5.232 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc2c1 12706656 LFHOSIXEGVITDW-UHFFFAOYSA-N 437.971 6.111 0 40 IKAB O=C(N[C@H]1CCSc2ccc(F)cc21)c1cn(-c2ccccc2)nc1-c1cccnc1 13120309 IALWMOUDZXNZPZ-NRFANRHFSA-N 430.508 5.040 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1ccccc1 13163926 HZMKDPZQOBVFMG-AREMUKBSSA-N 442.588 5.137 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 14640066 PNAMZKNYNVBUQM-SFHVURJKSA-N 430.573 6.803 0 40 IKAB COc1ccc(C(OCCCSCCO)(c2ccccc2)c2ccc(OC)cc2)cc1 15022483 DBXXWXMKEHQQRG-UHFFFAOYSA-N 438.589 5.128 0 40 IKAB Cc1ccc(S[C@]2(CN3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 16310879 GFOGTZCJSFXEIJ-JOCHJYFZSA-N 446.410 5.268 0 40 IKAB Cc1cc(O)c(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl 16995693 UIVXJZOCCAWDMJ-QHCPKHFHSA-N 448.885 5.024 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 17097523 SVNYQKWKDVIKAF-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccc(F)cc1 17097918 CWGFLVZRLKOHQT-UHFFFAOYSA-N 432.476 5.034 0 40 IKAB CCOc1cc2c(cc1NC(=O)C1C[C@@H]3CCC[C@H](C1)C31SCCS1)O[C@H](C)C2 18238573 FBOZOGKQJUWOAD-CCNLRDMRSA-N 433.639 5.350 0 40 IKAB c1ccc(CN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)cc1 19890975 XJSGEYQTTSIQBK-UHFFFAOYSA-N 443.601 5.607 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20151647 VODOBEIZBQBLSQ-UHFFFAOYSA-N 428.941 5.343 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 20412255 SNDIUKLZMBSQJE-UHFFFAOYSA-N 440.565 5.092 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1cccs1 22073953 ZWPYCVRWHIYPKM-ASXFNGKXSA-N 446.056 6.684 0 40 IKAB C[C@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)cc2C1 22227111 RFRCTIHPOASRDO-LBPRGKRZSA-N 448.466 5.989 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)cc1 24927528 GPYUHXJXGTWCJN-UHFFFAOYSA-N 446.580 5.056 0 40 IKAB O=C(c1sccc1-c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25748048 VUEXDFWQOJHNDQ-UHFFFAOYSA-N 438.596 5.963 0 40 IKAB Cc1ccc2c(C)c(C(=O)Nc3nc(-c4ccc(Br)cc4)ns3)oc2c1 27794273 QOQLWOSCZCDSCA-UHFFFAOYSA-N 428.311 5.583 0 40 IKAB Cc1cc(C)c2oc(C(=O)N(Cc3cccc4ccccc34)c3ccccn3)cc(=O)c2c1 27990404 BPSUXDUPIBGVSM-UHFFFAOYSA-N 434.495 5.805 0 40 IKAB CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1CC(=O)N(C)Cc1cccnc1 30881850 QPCJUBKLUQTIPX-LSQMVHIFSA-N 448.611 5.106 0 40 IKAB biogenic,in-vitro CC1=C(C(=O)OC(C)(C)C)C(c2c(F)cccc2Cl)C(C(=O)OC(C)(C)C)=C(C)N1 33452462 OCJXIABZUJKSKW-UHFFFAOYSA-N 437.939 5.397 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264143 SGCYHCMUEPXLDF-UHFFFAOYSA-N 449.721 6.160 0 40 IKAB O=C(/C=C/c1cccs1)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1 39766041 UHOQTRNXMBTGHX-VAWYXSNFSA-N 432.530 5.171 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)cc1 40485994 BYTPKLDNUZYFDP-HXUWFJFHSA-N 440.293 5.104 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O 67209322 LMCVXZUTNIHGLH-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5)n4ccn3n2)cc1 67260664 SGRKEXNFFZCAQJ-UHFFFAOYSA-N 429.549 5.515 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)Cn3nc(-c4ccccc4)ccc3=O)cc2)cc1C 70040695 ZYNQJIUVFWPTBK-UHFFFAOYSA-N 441.556 5.317 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 72215750 YBDRCFKJLSEDSW-HSZRJFAPSA-N 449.595 6.133 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375644 LDJPHIWNKPXQDI-JOCHJYFZSA-N 433.531 5.058 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)cc1NC(=O)c1ccccc1 79026614 DYDKWURQJLRDPZ-IBGZPJMESA-N 438.531 5.232 0 40 IKAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1ccc(Br)c(C(F)(F)F)c1 98072836 FGEVUJXSPLUEAE-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccc(Cl)cc1)N2)c1ccccc1 101010452 WVUVANWOBPUONT-OAQYLSRUSA-N 445.885 5.379 0 40 IKAB CC(=O)Nc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 101500597 LVUAMUMQPLNJMS-HXOBKFHXSA-N 429.476 5.255 0 40 IKAB CCOc1ccc(NC2=C[C@H](c3ccc(Cl)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 103679374 VQIXEHPBDLXSQC-RUZDIDTESA-N 448.950 6.221 0 40 IKAB Cc1c(OCc2nnc(SCc3ccc(Cl)cc3Cl)n2C)ccc2ccccc12 107723489 NCIKHKSRNKTXJT-UHFFFAOYSA-N 444.387 6.455 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 222920948 RNVPNEYTJFLDIC-LJQANCHMSA-N 443.609 5.897 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223176585 PSVGNILTNQVZAY-JOCHJYFZSA-N 438.612 5.085 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(Br)cc2)cc1 223454712 PJMKVQXFAMEEET-UHFFFAOYSA-N 436.415 5.175 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 223809686 JTRCCLZDVAZUCL-HSZRJFAPSA-N 444.616 5.340 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 224195584 MCLFEENFYLLVAM-DQEYMECFSA-N 439.588 5.370 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)c1 224228505 AVOZKMJPEXQYRM-JWQCQUIFSA-N 442.588 5.627 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cc(C)cc(C)c1 224312195 CBUCHFNFOFXIJW-QFIPXVFZSA-N 447.044 5.134 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224359887 AGCWCNFGRILBDD-LOSJGSFVSA-N 439.588 5.568 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 224430578 GKJBNEXWWIVNAM-QFIPXVFZSA-N 449.422 5.432 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 224444927 SXMQRRLGXBMREH-GOTSBHOMSA-N 449.938 6.311 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(OC)cc3)c2)cc1 224603501 RICYPKGMHPIWGB-UHFFFAOYSA-N 433.548 6.268 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1 225264280 FAQLTFLDCJTQME-UHFFFAOYSA-N 427.504 5.748 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225696559 UIZGUJNFBHQAMB-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OCC 225763934 BMTJZNBLPAIVFA-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1C[C@@H](C)C[C@H](C)C1 226324420 AVQPOMQYUQXGJW-KBPBESRZSA-N 430.390 5.383 0 40 IKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226339710 ZRGJPQXLUDEDPB-UHFFFAOYSA-N 438.532 6.165 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 248200362 VGKIPOLCLWTSDN-IHPCNDPISA-N 448.533 5.166 0 40 IKAB CC(C)Oc1cccc(CN2CCCC[C@@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 257221223 DOAXLPKTVJZDBR-RUZDIDTESA-N 446.595 5.196 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCCC3)ccc2Cl)c1 408548414 RCPHKELHYSSXCQ-UHFFFAOYSA-N 434.989 5.210 0 40 IKAB CCCOc1ccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1Br 408556764 KJGLOPVFTVASEC-GOSISDBHSA-N 426.763 5.670 0 40 IKAB CC(C)(C)c1ccc(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)cc1 408570606 LNERIBQRMNRKOJ-UHFFFAOYSA-N 432.564 5.213 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408574630 MCYOSPCCEFGJOC-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408577834 UQCBHRCWTCZIQU-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408697808 JTJNVEPXBNRCLA-UHFFFAOYSA-N 434.902 5.850 0 40 IKAB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 408720288 KWTCFPZJWSDUHS-VMGOQZOXSA-N 447.534 5.402 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409121068 XQHWBLDAVCKJAS-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 409374948 CAIVSQLSVPQYHZ-UHFFFAOYSA-N 429.347 6.185 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)cc1C 800055 IXCGAGJWRZHKGJ-IBGZPJMESA-N 438.515 5.450 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1 827117 RPCHAMYKOOUBJI-UHFFFAOYSA-N 441.196 5.567 0 40 IKAB O=C1CCCc2oc3c(cc(NS(=O)(=O)c4ccc5ccccc5c4)c4ccccc43)c21 944085 BZHRBHIXPCXBCF-UHFFFAOYSA-N 441.508 6.059 0 40 IKAB CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(CC)cc3)c(C(F)(F)F)oc2c1 956073 KSZNJIIHKLTKDK-UHFFFAOYSA-N 436.382 5.108 0 40 IKAB COc1cc([C@@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc(OC)c1OC 1317840 YJPJKPJLMJPSCZ-VWLOTQADSA-N 444.531 5.008 0 40 IKAB biogenic COc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CCC(=O)O 1408965 SVVGXUXJVZXOTF-RUZDIDTESA-N 448.519 5.353 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CC[C@@H](C)C2 1808614 FZEVFSZDGGKBGC-OAHLLOKOSA-N 429.582 5.283 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)c1 2083983 YUYCMWZBBUXCJK-UHFFFAOYSA-N 446.506 6.955 0 40 IKAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2205805 SFXWYBRACHQPMR-HSZRJFAPSA-N 444.512 5.775 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 2390435 DOJXOEZRJNKVSZ-UHFFFAOYSA-N 437.956 5.323 0 40 IKAB COc1ccccc1[C@@H](Nc1ccccc1)[P@@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2399370 PSXLHQDLGZZANL-FKAPRUDGSA-N 438.508 5.901 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)o1 2733574 XRIAJAVDSFIWNT-UHFFFAOYSA-N 428.532 6.187 0 40 IKAB CCCc1ccc(OCc2ccc(C(=O)n3nc(C)c(Br)c3C)cc2)cc1 2755656 JPEGVYSIFUPPNU-UHFFFAOYSA-N 427.342 5.482 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1Cl 3316500 BTHSDNGHJNIFTN-HXUWFJFHSA-N 448.733 6.492 0 40 IKAB Fc1ccc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)cc1 3334102 PQSQOTCGCLTHQN-UHFFFAOYSA-N 436.383 7.189 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ncc(C(F)(F)F)cc1Cl 3336055 UBYJKTJPBFRBAL-UHFFFAOYSA-N 438.283 5.748 0 40 IKAB Cc1cc(OCC(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc(C)c1Cl 3655511 TWFUYXGQWVDIAJ-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB COc1ccc([C@H](NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2)cc1 4667897 WHBMMYZJHAPOLC-AREMUKBSSA-N 429.604 6.810 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)c1 5235763 ZOUBCABTDWMUAG-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1cccc(C)c1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 6443436 RJHAHWZZRBZBFT-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB CC[C@@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 6632060 GAVAQGGJNJFTMV-OAHLLOKOSA-N 435.515 5.144 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8756153 IDESSRKJOJDTRY-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB c1ccc(Cn2c(-c3ccccc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1 9089482 SMKKAKUZTWTWJV-UHFFFAOYSA-N 425.535 7.185 0 40 IKAB Cc1cccc(CSc2nc(-c3ccccc3)nc3c2Cc2c(CO)cnc(C)c2O3)c1 9116366 OQRQHZQXIICPSG-UHFFFAOYSA-N 441.556 5.637 0 40 IKAB CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccccc1 9144975 FHQWKSGJCRTHJX-QFIPXVFZSA-N 430.508 5.157 0 40 IKAB CCN(CC)CCCNc1nc(SC(C)C)nc2sc3c(c12)C[C@@](C)(CC)OC3 9184828 WPEIKYFQJGDGRW-JOCHJYFZSA-N 436.691 5.577 0 40 IKAB Cc1cccc(-n2c(SCCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 9296215 BPYRIMTXORPXFV-UHFFFAOYSA-N 446.641 6.359 0 40 IKAB CC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccc(F)cc1 9497428 YRNVJHJBCBNQMW-RUZDIDTESA-N 431.979 6.036 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 9499419 XZOACPCRQLACHJ-UHFFFAOYSA-N 436.512 5.019 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 9510325 SLMQLTLPVUPSBB-KRWDZBQOSA-N 432.524 5.217 0 40 IKAB Cc1ccc(Cl)cc1-n1c(-c2ccc(C(C)(C)C)cc2)nc2nc3ccccc3nc21 9542150 YNUICGULFVKMQW-UHFFFAOYSA-N 426.951 6.895 0 40 IKAB Clc1ccc(-c2ccc([C@@H]3Oc4ccccc4[C@@H]4CC(c5cccs5)=NN43)o2)cc1 9593063 KWFMTDGEKLYMFB-CYFREDJKSA-N 432.932 6.904 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1 9665895 QISAITSSFCOMES-UHFFFAOYSA-N 434.590 5.403 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2C)cc1 10264528 HGIOIQCXDYKAHB-UHFFFAOYSA-N 444.585 5.712 0 40 IKAB CCOc1ccc(-c2ccc(SCC(=O)Nc3cccc(C(F)(F)F)c3)nn2)cc1 12140464 BXDVUHGLENCZMZ-UHFFFAOYSA-N 433.455 5.292 0 40 IKAB O=c1c2c(nc(SCc3cccc(C(F)(F)F)c3)n1Cc1ccccc1)CCS2 12140515 BIUYBIBUOGRJFQ-UHFFFAOYSA-N 434.508 5.251 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 12447765 HBGQBZNLPDCONO-NSYGIPOTSA-N 448.975 5.517 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1cccc2ccccc12 12598932 RQOBRQPJWSQNFO-MRXNPFEDSA-N 446.551 5.542 0 40 IKAB COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OCc1ccccc1Cl 12658639 NNBQEWXQJBQHLC-VCHYOVAHSA-N 426.299 6.074 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc(COc4ccccc4Cl)o3)c2cc1C 12676166 XFUSUVXPPCTGDY-UHFFFAOYSA-N 428.897 5.318 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CC=C(c2ccccc2)CC1 12684053 KPYKXXGJJBYBHR-BUHFOSPRSA-N 432.527 5.263 0 40 IKAB CCN(CC)CC(=O)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 12759402 AFEJAJRJRAQDEV-UHFFFAOYSA-N 443.978 6.503 0 40 IKAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(Sc2ccc(Br)cc2)cc1 12765289 XWYCEIWFXPBRFI-UHFFFAOYSA-N 435.387 5.091 0 40 IKAB CC(=O)N(c1nc(/C=C(\Cl)c2nc3ccccc3s2)cs1)c1cccc(C)c1C 12998065 QNDSTOMUQPYWFK-BOPFTXTBSA-N 439.993 6.791 0 40 IKAB CCOc1ccc(NC(=S)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 13026654 NZZITZBZQQVLKU-UHFFFAOYSA-N 446.551 5.564 0 40 IKAB Cc1cc(SCC(=O)O[C@@H](C)C(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 13095477 SYPJGEHARICQOP-AWEZNQCLSA-N 431.460 5.051 0 40 IKAB O=C(COC(=O)c1cc(-c2cccs2)nn1-c1ccccc1)c1c[nH]c2ccccc12 13098736 HHYPJGGZJUVYHC-UHFFFAOYSA-N 427.485 5.122 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3sccc23)cs1 13115729 OYGLEOCYCHKWAW-UHFFFAOYSA-N 428.564 5.133 0 40 IKAB COc1ccc(-c2cc3ncnc(N4CCC(C(=O)Nc5ccccc5)CC4)c3s2)cc1 13125871 MSFYZOZIHUZNRQ-UHFFFAOYSA-N 444.560 5.222 0 40 IKAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 13130727 BWZSOLZDNAKLGC-UHFFFAOYSA-N 431.966 5.288 0 40 IKAB COc1ccc(-n2nc(-c3ccccc3)c3c2N=C(O)C[C@@H]3c2ccccc2OC)cc1 13570174 ALSOPIMPJQXBGB-OAQYLSRUSA-N 425.488 5.680 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C)c(C)c4)cc3)nc2c1 13954882 BVPRCHSEEBEXMM-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCC3)ccc2Cl)c(Cl)c1 14669614 FFHQGHVHBYTSAB-UHFFFAOYSA-N 441.380 5.037 0 40 IKAB COc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2F)cc1 16216624 XTTPSJMWISHYLG-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc12 16807616 AKEGHIRWNZOAJR-UHFFFAOYSA-N 432.545 5.559 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 17096599 AAOPZOAVORQHMQ-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 17097662 KMVQBXYEXXTCEV-UHFFFAOYSA-N 431.586 5.961 0 40 IKAB O=C(NC(=S)Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(-c2cccc(Cl)c2)o1 17099376 BVGWEBWBWGJLBC-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB O=C(c1cccc(F)c1)N1CC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373305 RIIBYAYHSWGCTI-FQEVSTJZSA-N 439.494 5.051 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 19636576 PCVDXSNMFJYQCG-IBGZPJMESA-N 442.559 7.440 0 40 IKAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4ccc(OC)cc4OC)CC3)c2)c1 19690635 JLCDDADWQNVYST-UHFFFAOYSA-N 446.547 5.103 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)c(C)c1 20765849 BHBZTDSUGLTLGZ-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB COc1cc(/C=C/C(=O)OCc2ccc(F)cc2Cl)ccc1OCc1c(C)noc1C 21241719 MVAOWKZBAZBQLX-WEVVVXLNSA-N 445.874 5.428 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256990 IYASNQVSQILIOQ-MRXNPFEDSA-N 447.988 5.503 0 40 IKAB O=C(Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1)c1cccs1 23190947 VOIAGOGAGITKNH-UHFFFAOYSA-N 440.955 7.536 0 40 IKAB COc1ccc(CN(C)C(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)cc1 23200437 CZKFMIHWRZVIIW-UHFFFAOYSA-N 442.515 5.200 0 40 IKAB Cc1nc(-c2ccccc2)ccc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 24473651 IQKZDFYNNONQIU-LJQANCHMSA-N 429.545 5.493 0 40 IKAB COc1ccc(Br)cc1-c1nc(CSc2ncc3ccccn23)cs1 26407329 WTZDLVQZTWDWGF-UHFFFAOYSA-N 432.368 5.521 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 27409186 LJBKPNFSCSLKBN-UHFFFAOYSA-N 447.560 5.500 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2C)cc1 27525882 ZNPKJPOLQGTCNW-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1Cl)[C@@H]1CCCN(C(=O)c2cccs2)C1 32760113 KSZCEBNGTFHVFN-MRXNPFEDSA-N 440.952 5.685 0 40 IKAB CCOC(=O)c1sc(N(C(=O)COc2ccccc2Cl)c2ccccc2)nc1C 32832597 XSVGLYYAESSGLF-UHFFFAOYSA-N 430.913 5.025 0 40 IKAB C[C@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 34255767 LAOSXDFJKGEUSY-SSCKCOOKSA-N 440.330 5.875 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 35167900 AJXHNEGBSWFSDY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35645996 WBHDYQSKFZMQCR-ZDLGFXPLSA-N 433.291 6.284 0 40 IKAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(Oc4cnccn4)c3)c12 40133593 FDHKOPSETJBILI-UHFFFAOYSA-N 442.523 5.207 0 40 IKAB CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 44087874 IZDDBRIOEDKZRA-UHFFFAOYSA-N 441.316 6.821 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Br)c1O 59459835 BMMUQNYIIRXHDG-ZSOIEALJSA-N 440.702 5.058 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1F 72228978 DRODEBDMJNWUAJ-UHFFFAOYSA-N 430.115 5.056 0 40 IKAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N(Cc1ccccc1)C[C@H](O)c1ccco1 79054248 WYNHHCAHMIVPQV-GNNUASRNSA-N 448.519 5.318 0 40 IKAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 89814382 PHUQFAUCAAPEJE-CSKARUKUSA-N 437.304 5.039 0 40 IKAB C[C@H](NC(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 89904640 YPXTYXXBGCLIID-VOJFVSQTSA-N 434.439 5.132 0 40 IKAB C[C@@]1([C@@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 96306121 AMQREPVATSAXGL-LMSSTIIKSA-N 447.534 5.919 0 40 IKAB COc1ccc(/C=C2/N=C(S[C@@H](C)c3nc(C)no3)N(c3cc(C)cc(C)c3)C2=O)cc1 96988916 WJFKEFNJKCLHHF-REIAIGDLSA-N 448.548 5.242 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccccc1F 106698349 UJQXXJXZFMUDET-IDUWFGFVSA-N 431.286 5.306 0 40 IKAB COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 118931352 GAQBBTSXSYYOIK-SMIFZSHHSA-N 432.733 8.097 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(OCc2ccccc2)c1 218976181 OVCAWQRENKLUMA-UHFFFAOYSA-N 425.553 6.810 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC(C)(C)C 222696774 FMSQDJBMIHIFOU-OAQYLSRUSA-N 436.640 5.557 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 222708357 KMAAAPOXPYKQJK-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222861656 FQJOJYYVWFKWNY-XZOQPEGZSA-N 439.028 5.833 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223258575 WCSMMNURZJLKGS-DEOSSOPVSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223264150 MXQVJCGOXXCURC-KCWPFWIISA-N 442.603 5.174 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 223815789 CDKIALUPLRDQEV-DEOSSOPVSA-N 442.575 5.052 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 224318456 BCDLKWSGHJSQSS-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1Cl 224475336 MASJLNJQISNGAU-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccccc1C(C)(C)C 224511669 TVAORYFCIKEABK-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c1 224565965 MJPJCAPHEPIEMX-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1CSc1ccc(C)cc1 224662676 HQBGINWJOLRDHC-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 224692318 HHAKQQNEPMGONP-ZEQRLZLVSA-N 443.597 6.421 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224965381 ZAOHLJNKWAMEDY-UHFFFAOYSA-N 430.935 7.039 0 40 IKAB COC(=O)CCc1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226342387 QOLDTZZKHMEUCZ-UHFFFAOYSA-N 433.729 5.940 0 40 IKAB O=C(O)[C@@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)Nc1ccc(Cl)cc1 253564166 GFEAYCMOOINTDC-CJRSTVEYSA-N 431.919 5.733 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253566637 JEKXOKWIBQTQDH-SPYBWZPUSA-N 435.959 5.319 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408577562 TUXUGKXZVQWCNV-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(Br)ccc2OCc2ccccc2)c1 408585159 BRWKSUMUKLLARW-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)cc1 408694339 JEQXLGNHMCOWND-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)cc1 408696462 BPHNGZSFBYKCRV-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB S=C(NCc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735134 JXHQYERSIVOPJG-UHFFFAOYSA-N 446.579 6.450 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1C 409015899 PGXAWIJEZQTMMC-UHFFFAOYSA-N 447.560 5.446 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CCOc1ccccc1 409053264 BOPANXFWNUHOSL-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)c1 409102719 ZLXSBPRDPIIDPI-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1cccc(C)c1 409155119 BULJAKYWYWBWPM-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(I)c1OC 409206683 VQRUCOFKZHRQAD-UHFFFAOYSA-N 438.092 5.227 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409264050 JKBSBBOHZKOMLH-UHFFFAOYSA-N 439.353 5.641 0 40 IKAB CCc1ccc(NC(=O)CSc2nc(-c3ccccc3)nn2Cc2ccc(F)cc2)cc1 905755 MFPZFMJVYSZTCA-UHFFFAOYSA-N 446.551 5.426 0 40 IKAB COc1ccc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1327515 IBFNAMAQWQOQAI-UHFFFAOYSA-N 437.883 5.017 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(C(F)(F)F)cc3)C(=O)[C@H]2C)cc1 1381915 ZRGQMMMSHBSHCR-QGZVFWFLSA-N 438.449 5.596 0 40 IKAB COc1ccc([C@@H](CCN(Cc2ccc(OC(C)C)cc2)C(=O)c2ccco2)C(C)C)cc1 2092002 JZCXIACENTUZDI-SANMLTNESA-N 449.591 6.548 0 40 IKAB biogenic COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1OC 2092313 UIIZPLGOAFXQDJ-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic CC(=O)O[C@@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccccc2F)C1(C)C 2138543 QDWIHOXVIOEMPL-CLJLJLNGSA-N 433.523 6.510 0 40 IKAB Fc1ccccc1-n1nc2c(N3CCCCC3)nnc(-c3ccccc3)c2c1-c1ccccc1 2181162 BLIVMCIJZCXQTF-UHFFFAOYSA-N 449.533 6.279 0 40 IKAB Cc1ccccc1-n1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 2251931 VYJQFDDUQXQCIF-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB CC(C)(C)c1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2305234 WGIAZWIEDCOTRG-UHFFFAOYSA-N 432.951 6.093 0 40 IKAB c1ccc(-c2oc3ncn4nc(-c5ccc6ccccc6n5)nc4c3c2-c2ccccc2)cc1 2323407 GDZRVJFCERDNDR-UHFFFAOYSA-N 439.478 6.420 0 40 IKAB CC1(C)Cc2nc3sc4c(SCc5ccc(Cl)cc5)ncnc4c3cc2CO1 2386233 MNKKBASDMYIFMY-UHFFFAOYSA-N 427.982 6.037 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1nccs1 2399795 LLIKHGLCCWWLCN-INIZCTEOSA-N 429.284 5.306 0 40 IKAB Cc1ccc(SCCSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 2616034 IWNNFVOOYORACE-UHFFFAOYSA-N 431.630 6.744 0 40 IKAB Cn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 2621328 PDFYSYQDZRZBOJ-HXUWFJFHSA-N 436.487 5.232 0 40 IKAB CCn1c(-c2ccccc2)c(-c2csc(NCc3ccccc3OC)n2)c2ccccc21 2645951 NEEOOVOSQWKDQL-UHFFFAOYSA-N 439.584 7.072 0 40 IKAB CC(C)C(=O)c1ccc(-c2ccc(-c3ccc(-c4ccc(C(=O)C(C)C)cc4)cc3)cc2)cc1 3073669 KAGKHRIAXNNABP-UHFFFAOYSA-N 446.590 8.365 0 40 IKAB COc1cc(-c2cc(C(=O)OCc3ccccc3)c3ccccc3n2)cc(OC)c1OC 3249878 WXWLXCGDKUCENJ-UHFFFAOYSA-N 429.472 5.285 0 40 IKAB CC[C@H](C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)c1ccccc1 3285541 XZPKJZRTYYDGKF-FQEVSTJZSA-N 439.964 6.167 0 40 IKAB O=c1[nH]c(CSc2nnc(-c3ccco3)o2)nc2scc(-c3ccc(Cl)cc3)c12 3427211 BSFLWRKAZGJRCL-UHFFFAOYSA-N 442.909 5.240 0 40 IKAB CCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1 3655295 HSIOJSIQEPWRLD-UHFFFAOYSA-N 429.472 5.714 0 40 IKAB Cc1cc2nc3s/c(=C\c4cc(Cl)ccc4OCc4ccccc4)c(=O)n3c2cc1C 3670081 MVEYJCDYYMGBRM-QRVIBDJDSA-N 446.959 5.306 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 4903322 VNCZCJCLOVDFEB-NRFANRHFSA-N 425.532 5.253 0 40 IKAB CCOc1cc(CNCC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)ccc1OC 5321931 FDYPZVDNWMLOJW-AREMUKBSSA-N 439.640 6.725 0 40 IKAB CC(C)(C)[P@@](=O)(Oc1ccc(Br)cc1Br)c1ccncc1 6146167 VRUWRAUVFVZDFE-NRFANRHFSA-N 433.080 5.388 0 40 IKAB CCN(CC)CC[C@@H](CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(OC)cc1 8603125 WNOPQOBBHZSJKO-FQEVSTJZSA-N 426.004 6.133 0 40 IKAB CCCCOP(=O)(OCCCC)[C@@H](Nc1nnn(CCCC)n1)c1ccc(F)cc1 8691555 YPXGBVPOSFVDRO-LJQANCHMSA-N 441.488 5.550 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 8920590 BSPUCTSWIDAAMG-UHFFFAOYSA-N 434.927 5.389 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)cc3O)oc2c1 9064858 KHMJMXXWPRICPY-UHFFFAOYSA-N 445.544 5.759 0 40 IKAB COc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)c1 9291790 KLUVKWKSAZNCIZ-QFIPXVFZSA-N 431.875 5.200 0 40 IKAB C[C@H]1C[C@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)C(=O)O1 9336622 JVYSRNRPBBQUBS-BUXKBTBVSA-N 437.908 5.401 0 40 IKAB CCN1C(=O)c2cccc3c(NC(=S)NC(=O)c4ccc(C(C)(C)C)cc4)ccc1c23 9434131 BKFAKAPBCYEPGW-UHFFFAOYSA-N 431.561 5.244 0 40 IKAB COc1ccc(NC(=O)CSc2[nH]c(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 9674182 IHYSLZQNDWLYGS-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)c3ccccc3SC)sc2c1 9708012 OTCIPZCELXSJRZ-UHFFFAOYSA-N 435.574 5.659 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)/C=C/c3cccs3)nc12 10254345 CWLJDHGIWHHGGS-VMPITWQZSA-N 437.546 5.017 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ncc(-c2ccccc2Cl)o1 10307719 UYLHLOSEWHVPDV-UHFFFAOYSA-N 448.954 5.106 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 10338541 XPWFXHVNPQBXKY-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccccc2C(=O)NCCC)cc1Br 12137492 ZFEZMEGPKATSQO-UHFFFAOYSA-N 433.346 5.020 0 40 IKAB Clc1ccc(Cl)c(-c2ccc(C3=Nn4c(nnc4-c4ccccc4)SC3)o2)c1 12273746 ANKJFPJQNQCXTP-UHFFFAOYSA-N 427.316 5.870 0 40 IKAB Clc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 12486584 VEAXJIWUGLMXBI-UHFFFAOYSA-N 445.147 6.190 0 40 IKAB CCCn1c(SCC(=O)Nc2cccnc2Cl)nc2ccc(C(F)(F)F)cc21 12535251 UZSOKLZHLHUWHQ-UHFFFAOYSA-N 428.867 5.244 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 12585186 CIZHNBOXVYHXAD-UHFFFAOYSA-N 432.479 6.220 0 40 IKAB CC(CNC(=O)[C@@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 12599158 UJDLBHBKDBIVBP-JOCHJYFZSA-N 441.575 5.053 0 40 IKAB COc1ccc(-c2cc(C(=O)N(C)Cc3ccccc3F)c3ccccc3n2)cc1OC 12735135 OQPYHQJIBPDVRR-UHFFFAOYSA-N 430.479 5.330 0 40 IKAB CCc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)n2)cc1 12982312 MCLMSRVGAKNCGR-HXUWFJFHSA-N 446.576 5.595 0 40 IKAB Cc1ccc(Nc2nn(CN(C)Cc3cccc(Cl)c3Cl)c(=S)s2)cc1 13097586 HXCOOPZPVIOCOS-UHFFFAOYSA-N 425.410 6.122 0 40 IKAB O=C([C@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1)N1CCOCC1 13163421 XDWDIDSNYGNRMF-OAQYLSRUSA-N 447.585 5.051 0 40 IKAB Cc1cc(C)cc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 13497798 VDEXKGYUFUWFCJ-VWLOTQADSA-N 447.604 5.136 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)cc2c1 13513900 ZYNLRFMBLZWBPW-UHFFFAOYSA-N 447.941 6.878 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)N(C)Cc3ccccc3)nc3ccccc32)cc1 13524930 OUODVTGXSJPUGS-UHFFFAOYSA-N 431.561 5.175 0 40 IKAB O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4cccc5ccccc45)nn3cc21 13634454 QZEUMUWJTBMPMZ-QGZVFWFLSA-N 442.569 5.544 0 40 IKAB O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684701 XYVRQDNHVWRFQT-UHFFFAOYSA-N 436.511 5.448 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 13708408 KAHGIYPWUQAITC-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(CN4CCCCC4)o3)c2c1C 14199181 SXACORFZBYBLRX-UHFFFAOYSA-N 443.623 5.557 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 14238676 IJDONRLDMHUFLR-HSZRJFAPSA-N 442.346 5.003 0 40 IKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(NC(=O)c2ccccc2OC(C)C)cc1 14664823 QGKHQRMJAHMHEA-UHFFFAOYSA-N 432.520 5.766 0 40 IKAB CCCCc1ccc(NC2=C[C@H](c3ccccc3)N(c3ccc(CCCC)cc3)C2=O)cc1 15304728 BKSNBLAWWIWSDJ-GDLZYMKVSA-N 438.615 7.456 0 40 IKAB OC1=N[C@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 15947392 FZPAUWNOUMTNBQ-FQEVSTJZSA-N 444.387 6.042 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(-c3ccccc3)csc2c1=O 16845112 AFNJIJNRSZORHO-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB COc1c(Cl)cc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 17095275 XBBLYLDDDDPEBM-UHFFFAOYSA-N 427.287 5.740 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3Br)nc2c1 17097837 MZWCJRZVLUPJST-UHFFFAOYSA-N 432.343 5.116 0 40 IKAB O=C(COc1ccccc1N1C(=O)[C@H]2CCCC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 17987313 WJRUKMBVQKDLLX-ZRZAMGCNSA-N 439.511 5.295 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H](C)Sc4ccc(Cl)cc4)cc3)sc2c1 20238566 RXBNSCLNTIBFOX-OAHLLOKOSA-N 439.005 7.044 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)sc2c1 20411863 ZSIZQPQUOWWSJY-UHFFFAOYSA-N 441.578 5.112 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)c1 20412261 ONRUXMWAVGRHFH-UHFFFAOYSA-N 440.565 5.092 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610647 PLRXTXSUHBYJPH-GOSISDBHSA-N 428.536 5.974 0 40 IKAB CCn1cc(C(=O)NCc2ccc(Cl)cc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236679 ONBUHMNWXQSTHA-UHFFFAOYSA-N 443.252 5.277 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)NC[C@@H](c1cccs1)N1CCCC1 27605673 OSMCAJZOMIFZJT-SFHVURJKSA-N 432.014 5.021 0 40 IKAB Cc1nn(Cc2ccc(C(=O)Nc3cccc4cccnc34)cc2)c(C)c1Br 27970297 UGPYJBJIPZMJRB-UHFFFAOYSA-N 435.325 5.111 0 40 IKAB CCn1c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)nc2ccccc21 32819138 USFAYGPQZLFQAX-UHFFFAOYSA-N 442.544 5.420 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 33712900 MCMCHPQIQKPIKU-IXCJQBJRSA-N 436.942 7.249 0 40 IKAB COc1ccc(NC(=O)c2sc(N3CCCCC3)nc2-c2ccc(C)cc2)c(OC)c1 36293478 VMKSLQHRFWKDTF-UHFFFAOYSA-N 437.565 5.378 0 40 IKAB COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccc(C)cc2)cc1 48989734 MGVNYSJHMXQRPA-UHFFFAOYSA-N 448.544 5.363 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1C 57473497 CLFRTXKYHYSFIO-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3cccc(Cl)c3)no2)cc1Cl 57487273 VCCQEURXZBVIGN-UHFFFAOYSA-N 443.290 5.159 0 40 IKAB CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 67295215 NKNBDYVPRQBYTJ-PNHLSOANSA-N 433.895 5.673 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(Cl)ccc3C)oc12 67295959 HGSPSDHFKRKVGV-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB Cn1c(-c2nnc(-c3ccc(Cl)cc3)o2)ccc1-c1cc(C(F)(F)F)ccc1Cl 67299935 OSTRYBWEJYDNDX-UHFFFAOYSA-N 438.236 6.735 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72215067 JBPHZLYIBAVFRA-LJQANCHMSA-N 433.593 6.085 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349357 JWQSCGGSEHDJJB-QFIPXVFZSA-N 432.539 5.159 0 40 IKAB CCn1cc(-c2ccnc3[nH]c(-c4cccc(CN(C)C)c4)cc23)c(-c2ccc(N)cc2)n1 95937966 ISRYHQVOEGWRIY-UHFFFAOYSA-N 436.563 5.424 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)c2c1 106708532 XPEPWKYWXDAQPW-IWIPYMOSSA-N 447.556 6.182 0 40 IKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1c(Cl)cccc1Cl 106716242 DETGWFFWPAPHLM-NSIKDUERSA-N 449.142 6.242 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=S)Nc4ccccc4)cc3)C2=O)cc1 113562367 HIZKJFUWXOWYIG-OAQYLSRUSA-N 447.585 5.228 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NCCCc1ccccc1Cl 218904462 YUXBSURJNDTCBY-UHFFFAOYSA-N 432.745 5.384 0 40 IKAB O=C(NCCCN1CCCc2ccccc21)c1ccc(OCc2ccccc2Cl)cc1 218993237 USQSKPFLDGTTLN-UHFFFAOYSA-N 434.967 5.492 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 222399043 QANHRPDXVNLRRL-DEOSSOPVSA-N 438.612 5.003 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 222841400 XKINELQJKNQBND-WOJBJXKFSA-N 441.398 5.016 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223092354 OXBMKLBNBZMZNG-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 223359770 LATQKDLOGYLVFM-GOSISDBHSA-N 449.422 5.568 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)cc2C)cc1 223532894 OXMUSGBVPXIVSL-JYBCESJWSA-N 434.561 5.022 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1C 224277318 RVNCZFMRRYEUAO-JWQCQUIFSA-N 440.572 5.372 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224294189 DMPYRVUYOQGNDT-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 224782943 IEVMQPYEXUFWAW-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)c1 224783019 MAVDJFNAOJYXFD-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1 224905972 LVWYCCSIRJMBBJ-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225104588 AMBKKFKRHKLCNC-QHCPKHFHSA-N 426.626 5.119 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1nnc(SCc2ccccc2)s1 225270276 LWTVIJDSZGZYQK-UHFFFAOYSA-N 439.990 5.495 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225459622 CYTMOOVHPPITFI-PGRDOPGGSA-N 447.044 5.295 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccccc2F)CCCC1 225516652 RYYPQPNAXLNAIV-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB COc1ccc(-c2ncc(C(=O)Nc3c(C)cc(Br)cc3C)c(C)n2)cc1 226096078 JOYPVYWQBNXHGQ-UHFFFAOYSA-N 426.314 5.092 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 247751041 UORLWZNTMPAXRN-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1 257289823 QAHWDNBPMOAHQT-XXBNENTESA-N 443.522 5.028 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 408547668 LCBVVQYNCLWKJG-UHFFFAOYSA-N 438.696 5.993 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cc(Cl)ccc3C)sc2n1 408617683 DGHJEADVLAKTAH-UHFFFAOYSA-N 433.002 5.618 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(F)cc2)cc1 408696211 XTHBWILCOTXPNW-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408974387 ZACXNGBYHRBFRX-DEOSSOPVSA-N 436.964 5.409 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 409175711 ASLNHAPIVBRVCL-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 409178196 KXFAAWYGLDCRSL-UHFFFAOYSA-N 434.344 5.528 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(Cc3c(Cl)cccc3Cl)c3ccccc23)C1=O 409345549 JLNSWNJOIBOHHS-GRSHGNNSSA-N 431.344 6.053 0 40 IKAB Cc1cc(C)c2c(c1)OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265926 XRHZVAOKLLBETG-RLOMUNTMSA-N 438.564 5.824 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC(F)F)cc1 703408 PIZMZBZZLXKAAZ-UHFFFAOYSA-N 435.423 5.585 0 40 IKAB CCc1cc([C@@H](c2ccccc2F)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 1236004 RDQISZAGRPMNSH-HSZRJFAPSA-N 437.584 5.039 0 40 IKAB O=C(c1ccccc1Br)N1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363802 AZRJCHBJGCFEFH-CQSZACIVSA-N 446.732 5.172 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1cccc(Cl)c1 1365906 BSUVRDSDYCFTMM-QGZVFWFLSA-N 444.906 5.487 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](C2CCCCC2)N2C(=O)N(C)[C@H](C)[C@H]2c2ccccc2)cc1 1384113 OATUGQVRSFARFU-VEXUSMLFSA-N 440.609 5.172 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCC(O)(CSc2ccc(Cl)cc2Cl)CC1 1403797 HJKNTECFBOMCNX-UHFFFAOYSA-N 430.784 5.406 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1cccc(Br)c1 1885767 JPSPLMWEBPAKMB-UHFFFAOYSA-N 428.138 6.132 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CC[C@H](C)C2 1904739 DPJWSTUVOMIBJC-NSHDSACASA-N 442.364 5.374 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1945624 QVTFNMXJVHQWOW-SFHVURJKSA-N 441.637 6.626 0 40 IKAB O=C(COc1ccccc1)Nc1ccc2nc(SCC(=O)c3ccccc3)sc2c1 2394589 RSZMHDHODFGOIV-UHFFFAOYSA-N 434.542 5.289 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3cccc(Cl)c3)cc2O)n1 2432973 ODXRBGGTZKLXAG-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2cc(C)ccc2C)cc1 2454455 PVPARKYCUOEEPJ-UHFFFAOYSA-N 445.588 6.072 0 40 IKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 2633751 WVPUAFYELKOMRP-GFCCVEGCSA-N 438.500 5.288 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 2741772 FMBRFJQVLMKTHL-UHFFFAOYSA-N 442.562 6.854 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3nsc(-c4ccc(Cl)cc4)n3)c2c1C 2889261 BSSLKALCFLNXMK-UHFFFAOYSA-N 447.998 5.211 0 40 IKAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)c1ccc(Br)cc1 3335413 DLCMZHYVDYWHJG-LLVKDONJSA-N 433.396 5.696 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc(C)cc3)n2)cc1 4703239 HRNAVGFKYDZRNB-UHFFFAOYSA-N 425.536 5.116 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Cl)cc2Cl)cc1 6089565 VRGOSFOPRVVGTE-OAQYLSRUSA-N 441.314 5.941 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2Cl)cc1 8442799 QVWPXOQFXYSVMS-UHFFFAOYSA-N 436.964 6.904 0 40 IKAB O=C(NC1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1)c1ccccc1F 8686086 SRTIJFGIXUBGAF-UHFFFAOYSA-N 447.535 5.443 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(C(C)C)cc2)CC1=O 8828203 RWQWBERRPBQJBD-JOCHJYFZSA-N 439.559 5.737 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)n(C)c2ccccc12 9355479 IGSWLYDHXHOTNU-DFXYEROKSA-N 442.562 7.152 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3C)cc2c1 9360165 FEJZAGSHIRUFLX-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)o1 9532296 FKHLMEKXZOUZCC-HSZRJFAPSA-N 430.529 6.078 0 40 IKAB O=C(N[C@@H]1CCSc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 9671522 ZCLVRZXGHAWLLZ-LJQANCHMSA-N 432.570 6.087 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nc3cc(Cl)ccc3s2)cs1 9883451 HURANAOXAUNSDR-UHFFFAOYSA-N 446.022 6.188 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2OCc2csc(C)n2)cc1 9961907 SDKGBCGNMNKHMK-UDFXALJUSA-N 434.561 5.416 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O 10333979 KCDPVUPXDPROHU-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 10367150 QWDCNSUESRNJFZ-FQEVSTJZSA-N 427.548 5.026 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1Cl 12237307 DHSJITWSXKCXGO-UHFFFAOYSA-N 437.952 5.405 0 40 IKAB COc1ccc(NC(=O)c2sc3nc(Cc4ccccc4)nc(C)c3c2C)c(OC)c1 12391202 QVUZQXWIWJCWPQ-UHFFFAOYSA-N 433.533 5.168 0 40 IKAB CCOc1ccc(Nc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419537 FWSDWRLPBVVLJR-UHFFFAOYSA-N 444.896 5.563 0 40 IKAB Cc1cccc(NC2=NC(=S)N(c3ccc(Br)cc3)C23CCCCC3)c1 12462711 UHRXBDFGKDECBT-UHFFFAOYSA-N 428.399 6.076 0 40 IKAB S=C(CCCN1CCOCC1)Nc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 12643870 XFQGOTLJTVHORQ-UHFFFAOYSA-N 441.000 5.044 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccc(I)cc1 12760872 MHWNMFGNCDLHDU-UHFFFAOYSA-N 426.304 5.037 0 40 IKAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1 12857574 FISFBIVXOXVIAG-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB Cc1cccc(NC(=O)CN(C)C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1C 12937486 RLCVNHGALWHVGX-UHFFFAOYSA-N 431.319 5.581 0 40 IKAB Cc1ccc(NC(=O)c2ccc(-n3nncc3-c3ccc(Br)cc3)cc2)cc1 13071056 RZMDZVCHLXPFKV-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(Cc3ccco3)c2NC(=O)c2ccccc2)cc1 13689624 KERMNYXFHZZPJQ-UHFFFAOYSA-N 448.544 5.140 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)c(C)c1 13940057 AKMUMTKJAMGIMU-LJAQVGFWSA-N 441.571 5.608 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 14128716 XQTAYNPIVGOWBH-MRXNPFEDSA-N 447.516 5.657 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c1Cl 14273129 AQANNLGBVMOXNQ-UHFFFAOYSA-N 441.786 6.271 0 40 IKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(Cl)cc4)cc3o2)cc1 15729327 JZDHXVOVPDNMRQ-UHFFFAOYSA-N 431.919 6.663 0 40 IKAB biogenic COc1cn(CC(=O)Nc2cccc(C)c2C)c(CSc2ccc(Cl)cc2)cc1=O 15883907 ZFJQKIPNQNZLRK-UHFFFAOYSA-N 442.968 5.058 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCc1ccccc1 15906735 HBXAPCHDKBKPMO-JUKYZOBSSA-N 428.299 7.529 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(Br)c2)N3)C1 16192950 WAAAETNXNVUEOZ-ACJLOTCBSA-N 433.415 6.481 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 16216590 QCSCVEJOGQYFKI-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB COc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1Br 16226648 SGIXYIMBRDQYRH-UHFFFAOYSA-N 435.115 5.626 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 16773959 HFKCIVAIOTWEEA-IBGZPJMESA-N 443.576 5.125 0 40 IKAB O[C@@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957565 JEOQAKYOQCNWOA-HNAYVOBHSA-N 435.858 5.111 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(OC)cc23)Cc2ccco2)c1 16977527 PALKLIVTSWOPIY-UHFFFAOYSA-N 449.576 5.528 0 40 IKAB COc1cccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2C)c1 16991294 DRQCYTXHONOCAF-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccccc1OCc1csc(C)n1)oc1ccccc12 18078790 GCWTVTSRFPQHLJ-UHFFFAOYSA-N 444.512 6.191 0 40 IKAB COc1ccc2cc(C(=O)N3CC[C@H](c4nc(C5CCC5)n5c(C)csc45)C3)[nH]c2c1 19240529 NMWRVAXSTITCIH-KRWDZBQOSA-N 434.565 5.091 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)C2)n1 19286823 SHCXQQDMFXWICM-INIZCTEOSA-N 427.335 5.174 0 40 IKAB CCCC(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 19501157 OWPJLZQIWAEPQD-DOTOQJQBSA-N 426.508 5.111 0 40 IKAB CCn1cc(C(=O)N2CCC[C@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)c(C)n1 19524457 OMKAPTBQYWFNLO-FQEVSTJZSA-N 427.552 5.083 0 40 IKAB COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc1OC 19560482 UJSQOQDBCVAIQJ-OAQYLSRUSA-N 438.499 5.184 0 40 IKAB Clc1ccc(OCCCCNc2ccc(OCCCc3ccccc3)cc2)c(Cl)c1 19738421 IRMOCGVPGNWLOG-UHFFFAOYSA-N 444.402 7.276 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(C[C@@H](C)c1ccccc1)C3 20609935 NWABIRLEKXCORB-LJQANCHMSA-N 425.528 5.648 0 40 IKAB biogenic CC(C)COc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610641 SQYGIPXBWRSLHN-UHFFFAOYSA-N 428.536 5.831 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1Cl 28289968 OXBUSWUEBGMSCO-GOSISDBHSA-N 444.984 5.163 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)c2C)cc1 30853479 PJSMLHFXZGGBAK-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CC1=C[C@@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 30883480 RKTMKDPCYSDAAV-FUDKSRODSA-N 434.559 5.458 0 40 IKAB biogenic,in-vitro Cc1nc(NC(=O)c2ccc(OC(C)C)cc2)sc1-c1nc(-c2cccs2)no1 31816946 IOJGPFWCEOAEPR-UHFFFAOYSA-N 426.523 5.270 0 40 IKAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1C[C@H](C(F)(F)F)C[C@@H](C(F)(F)F)C1 32040090 OAKUTWKDBHUFJR-HUUCEWRRSA-N 430.392 5.696 0 40 IKAB CCc1ccc2oc(C(=O)Nc3ccc(-c4nc(-c5ccc(C)s5)no4)cc3)c(C)c2c1 32622267 IGHFMAFZOXHFEY-UHFFFAOYSA-N 443.528 6.643 0 40 IKAB CC(C)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(=O)c1cnc(Cl)c(Cl)c1 32972121 YAISQYOSUCMSQL-UHFFFAOYSA-N 425.703 5.143 0 40 IKAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(OCc3csc(C)n3)cc2)N=C1S 39982757 JNHDCOYCMCFSMF-NDENLUEZSA-N 435.574 5.266 0 40 IKAB O=C(/C=C/c1cccc(Cl)c1)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 40050326 DFZVRQOGQNKHAR-NTCAYCPXSA-N 444.962 5.459 0 40 IKAB COc1cc2c(cc1OC)CN(Cc1cc3sccc3n1Cc1ccc(F)cc1)CC2 57718502 KOGHGAMHEHFLCV-UHFFFAOYSA-N 436.552 5.466 0 40 IKAB Cc1ccc(-c2nc(NC(=O)C(=O)c3c(C)nn(C)c3C)sc2-c2ccc(C)cc2)cc1 58574555 ZWIVOUVKAWGPMG-UHFFFAOYSA-N 444.560 5.266 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccc(Cl)cc1 59418204 MTPUQIKEKDVAQL-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB O=C(NCc1cc(-c2cccs2)n(C2CCCC2)n1)c1ccccc1Br 90607075 NBGVAHFFIINBPN-UHFFFAOYSA-N 430.371 5.419 0 40 IKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cc1F 96038148 WTHDRDWHUFPDNT-UHFFFAOYSA-N 428.442 5.631 0 40 IKAB Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 100738896 QTZXPRIJPSAGHF-TYKWCNGQSA-N 429.568 5.069 0 40 IKAB COc1ccc(OC)c(-c2cs/c(=N\C(=O)c3ccccc3)n2Cc2ccccc2)c1 101484762 KRTOFQXUFZSFKG-QPLCGJKRSA-N 430.529 5.023 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC 102665108 JMBQVHKBHUJOLX-QRQCRPRQSA-N 436.899 5.014 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 102794843 CXLDHSSULMVOMU-ZTOMLWHTSA-N 436.555 6.955 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 106982597 YFVWOZUUPGIGTJ-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1C 107933149 GLKRRDBFXCGHPQ-UHFFFAOYSA-N 444.538 7.225 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 222683477 RLNZYHXWFPDVDK-SZFUDVHCSA-N 426.948 5.644 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2cc(OC)ccc21 222938953 FHEPSVQYNCAWIN-FGZHOGPDSA-N 425.569 5.569 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223144518 TZIMHHMUBIRNPI-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 223190108 QDOWEFXNEKVXSV-IBGZPJMESA-N 445.003 5.176 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1C(C)C 223369924 FOSORHGZAZOTHK-HNNXBMFYSA-N 440.436 6.544 0 40 IKAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223549372 ILTPIFSSFJPZQA-MHZLTWQESA-N 448.607 5.572 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224003827 RESPZOWGQKOMQO-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccccc1C 224127290 FFUOLAWCTXYGDL-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 224266314 UOASVECUGHOPJM-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C(C)(C)C)cc1 224525874 UDQGKEHMVKESND-UHFFFAOYSA-N 443.587 6.160 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)c2ccccc2O1 224951762 IJMPHFHRRDBLAN-SFHVURJKSA-N 428.381 5.495 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSc1ccccc1 225005748 FSIJJRUZEDOFNW-DEOSSOPVSA-N 438.637 5.425 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 225583475 FGNBCOZJCARZNR-URXFXBBRSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225628575 MONUVAPHOZPCKK-XXBNENTESA-N 429.004 5.303 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225653833 OVNGPODICQJKJL-HSZRJFAPSA-N 428.013 6.238 0 40 IKAB COc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1Br 226286729 CPSVNGWGTWGFAX-UHFFFAOYSA-N 449.304 5.735 0 40 IKAB O=C(N1CCC(c2cccc(Cc3ccccc3)n2)CC1)C1(c2ccccc2)CCOCC1 257230082 GATCDDBWHZAKTA-UHFFFAOYSA-N 440.587 5.127 0 40 IKAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)C3CCCCC3)CC2)n1 257322871 WHTYSEDHUXSLDK-UHFFFAOYSA-N 427.618 5.224 0 40 IKAB CC1=NN(C(=O)COc2ccc(C3CCCCC3)cc2)[C@@](O)(c2ccc(Cl)cc2)C1 408562856 FQEHAGRZWCTJKT-DEOSSOPVSA-N 426.944 5.220 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Br)c2ccccc12 408600092 UGGRRYWKGJJDLA-UHFFFAOYSA-N 429.364 5.943 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408696875 FOFYQGVZEBDHIJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c(C)c1 408726086 RYMXZOVRRRHCHH-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 408911419 JLIXNDVIHFJAPU-LLVKDONJSA-N 431.157 6.285 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409104176 GEKLAQBHMBIPMS-WQRHYEAKSA-N 444.940 5.031 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1Cl 409112030 ALRPTFSXMSJRBZ-UHFFFAOYSA-N 445.946 7.332 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)c1 409245694 XQLIWGOWXZEYTH-OEAKJJBVSA-N 432.907 5.320 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NC4CCCCCCC4)c3n2)cc1 649002 AMEMOQDBILDKSV-UHFFFAOYSA-N 428.483 5.185 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)o1 995319 UBSRJPZTAFBDEP-UHFFFAOYSA-N 429.476 6.318 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccc(C)cc1 1074302 XZJZTKOQMVTUAU-QFIPXVFZSA-N 437.495 5.850 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCCC2)c1 1346562 SFZVHZQLKZPCJJ-UHFFFAOYSA-N 444.608 5.426 0 40 IKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1c(C)cc(C)cc1C 1353564 GNRMJLJSQLPJHM-UHFFFAOYSA-N 447.510 5.312 0 40 IKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NCCC3=CCCCC3)c2c1 1368176 KLJCIEPVJNOJDW-UHFFFAOYSA-N 445.632 6.266 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1cccc(C(F)(F)F)c1 1465748 WHMKNQRLIVUBFH-UHFFFAOYSA-N 445.491 6.108 0 40 IKAB Cc1cc(Oc2coc3cc(O[C@@H](C)C(=O)OCC(C)C)ccc3c2=O)cc(C)c1Cl 1775156 YPILLHZYTDZBQN-INIZCTEOSA-N 444.911 5.822 0 40 IKAB CCOC(=O)c1c(Nc2ccc(Cl)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1791368 NNNVPQDCYAKNAM-UHFFFAOYSA-N 429.907 6.384 0 40 IKAB O=C(NCCc1cccc(Cl)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2083570 CDSAITVZCSLLTR-UHFFFAOYSA-N 427.356 6.243 0 40 IKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2ccccc2)cc1 2245387 DPTMDAQMOAWFMQ-ZUKKLESISA-N 448.547 6.816 0 40 IKAB O=c1cc(Nc2ccc(Br)cc2Br)nc(-c2ccccc2F)o1 2333356 YQGZELCVEANEHZ-UHFFFAOYSA-N 440.066 5.110 0 40 IKAB COc1ccc(NC(=O)c2c(Nc3ccccc3)sc(C(=O)c3ccco3)c2N)cc1 3265809 GYXFXEMHJSMNGJ-UHFFFAOYSA-N 433.489 5.159 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1)c1cc2ccccc2o1 3422486 ACFXGYNZPQRXQY-UHFFFAOYSA-N 426.881 5.139 0 40 IKAB c1ccc(-c2ncc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)s2)cc1 3504322 UKDGHCOLOSAPKV-INIZCTEOSA-N 440.619 5.601 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864151 BILTULWMNASAJV-QZTJIDSGSA-N 441.549 5.123 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc3ncccc3c2)cc1 6101619 VLGAYZVXANZUQN-UHFFFAOYSA-N 441.516 5.031 0 40 IKAB CN(C(=O)c1cc2nc(-c3ccco3)cc(C(F)(F)F)n2n1)C12CC3CC(CC(C3)C1)C2 6878611 LEHJDFPTYBYDSN-UHFFFAOYSA-N 444.457 5.049 0 40 IKAB Cc1c(CC(=O)NCc2ccccc2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 8752010 CADFTUQEHKVYAB-UHFFFAOYSA-N 441.458 5.513 0 40 IKAB Oc1ccccc1/C=C/C1=NN(c2nc(-c3ccccc3)cs2)[C@](O)(C(F)(F)F)C1 8754024 BNTCKSHXNXHZPT-CTDFXDFQSA-N 431.439 5.046 0 40 IKAB O=C(Nc1nnsc1Sc1ccc(Cl)cc1)OCc1ccc(C(F)(F)F)cc1 8762038 ZYZKKLQMZPHEQQ-UHFFFAOYSA-N 445.875 6.110 0 40 IKAB CNC(=O)c1c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12 8781705 WRURPFABVCHALT-UHFFFAOYSA-N 439.367 6.719 0 40 IKAB Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCc2ccccc2-4)c1 8856444 GEKCVAYUAZVDTB-UHFFFAOYSA-N 446.641 6.659 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OCc4ccccc4)c(C)oc3cc2C)cc1 8870342 MEJNEMNIJQXSQF-UHFFFAOYSA-N 449.528 5.516 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8871520 NZBWNGRMWQWNDM-IBGZPJMESA-N 445.950 5.657 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 9129955 UFCCPTSNJJOCEW-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1Cl 9158442 YHLOHODZHWFWOD-XXBNENTESA-N 439.298 5.964 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccc(C)cc2)cc1 9308986 FMKCYNQTUFBGMB-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(cc3c4c(cccc42)CC3)s1 9404546 OQQGCTNISHMPNV-UHFFFAOYSA-N 429.328 5.872 0 40 IKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3c(F)cccc3Cl)cc2O)cc1 9410016 ZMOCMMGUPTYADS-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 9497490 SNGAYNGCAKQXRN-UHFFFAOYSA-N 432.549 5.188 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)s2)cs1 9595102 KHDJOSDQDFAWLI-UHFFFAOYSA-N 437.546 5.264 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccco3)nc2-c2ccc(C)cc2)cc1 9646083 IUTNJSKSVCBZTG-GOSISDBHSA-N 444.560 5.385 0 40 IKAB CCCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C1=CCCCC1 9872793 KITNOYOFLGPHSN-UHFFFAOYSA-N 435.597 5.550 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1SCc1ccccc1 10367224 WZWWMZFHKSKJKU-UHFFFAOYSA-N 446.012 6.435 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 12415544 QYSKSUGSZMMTSV-UHFFFAOYSA-N 443.290 5.203 0 40 IKAB CC(C)(C)[n+]1cn(-c2ccc(Br)cc2)c(-c2ccc(Br)cc2)n1 12551155 LCHJEAGCECWERM-UHFFFAOYSA-N 436.171 5.107 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1Cl 12575159 OYZCFUUMFNOFKS-DRXLFAFDSA-N 448.717 8.505 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(C[C@@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@@H]31)CC2 12659961 MAZWREUQDXJNBZ-NJYVRSLCSA-N 439.596 5.081 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c(C)c1 13133869 OMUVUCYDJUCXHR-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB 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)CCc2ccccc2)C1 13400337 OSYGNEOCCSKLON-KHNXPKGBSA-N 438.652 6.325 0 40 IKAB biogenic Cc1sc2nc(C(C)C)n3c(SCC(=O)Nc4ccc(Cl)cc4)nnc3c2c1C 13499968 RXVLFJZMPVBCFN-UHFFFAOYSA-N 446.001 5.463 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 13758934 UUDQEAVGXKAQMJ-IBGZPJMESA-N 444.245 5.577 0 40 IKAB Cc1ccc(C(=O)c2c(NC(=O)CSc3nc(C)cs3)sc3c2CCCC3)cc1 14358841 WYHQABLFKTVDOF-UHFFFAOYSA-N 442.631 5.662 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC(C)C)cc1 14664084 MTFRHUCHFHZAFM-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB COc1ccc(CCNCc2ccccc2OCc2ccc(Cl)cc2Cl)cc1OC 16227450 FHYKSHAKNFNVMN-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc(OC(C)C)c1 16284474 FWOLVSFCAZWXJW-UHFFFAOYSA-N 436.515 5.922 0 40 IKAB Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1Cl 16312769 ZMRNRDAQHZBGTG-UHFFFAOYSA-N 426.907 6.096 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)cc1C 17097668 TVLFABUREFFHTG-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(c2ccc(Cl)cc2)CC1 17098710 QORSSHPMUNDBLE-UHFFFAOYSA-N 433.964 5.579 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 17099333 ZFLDTPVEWJYCOC-UHFFFAOYSA-N 434.952 5.573 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(C(=O)O)c1)c1ccc(-c2cccc(Cl)c2)o1 17099380 YTOKXXQSQZWVTP-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4cccnc4)CC3)n2)c1 19294176 URUTZLZAHDMYKW-UHFFFAOYSA-N 440.526 5.196 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19643126 AXCAOCRLJVKZRE-UHFFFAOYSA-N 445.396 7.001 0 40 IKAB Fc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1 19644377 SUSKMDXDGFGUQP-UHFFFAOYSA-N 446.375 6.548 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2cc(C)cc(C)c2)cc1 19947526 DDOWUYQKAFHMLR-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCOc1ccc(-c2cc3c(SCc4cccc(OC)c4)nccn3n2)cc1Cl 23126602 BUCUCUTUZPLNHK-UHFFFAOYSA-N 425.941 5.749 0 40 IKAB COc1ccc(-n2c(SCC(=O)N[C@H]3CCCc4ccccc43)nc3ccccc32)cc1 25396634 WIQROYORNQGELU-QFIPXVFZSA-N 443.572 5.320 0 40 IKAB CCn1ncc2c(C(=O)Nc3ccc(OC)c(OC(F)F)c3)cc(-c3cccs3)nc21 29200275 GXVXKUVWMWFTJZ-UHFFFAOYSA-N 444.463 5.042 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)nc2cc1Cl 32127110 LDFUGBGDUWFPDM-UHFFFAOYSA-N 433.986 5.383 0 40 IKAB CSc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1 33022199 BUVPQUHZOOGCFI-UHFFFAOYSA-N 448.617 6.406 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c(C)c1 33660918 XSALSVHOKCFQTD-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(Nc1cc2c3c(c1)[C@@H](c1ccccc1)CCN3CC[C@@H]2c1ccccc1)c1ccccc1 33710306 GXSKMCROYUZMOT-KAYWLYCHSA-N 444.578 6.817 0 40 IKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccc(Cl)cc4)sc4c3CCCC4)n2)cc1 35671269 GHDQUHVKBLBMBU-UHFFFAOYSA-N 449.963 6.558 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 39556847 NKIGRJMGMKCGEG-LPYMAVHISA-N 445.881 5.579 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccc(C)cc2)C1=O 39857481 FGWSICPVJXNZBT-HAHDFKILSA-N 431.513 5.824 0 40 IKAB CCOc1ccccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 48290810 XOCFZXKTCDXVQX-UHFFFAOYSA-N 440.341 5.165 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 57488603 NUBXJXPSLDTGBD-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB CC(C)C[C@H](C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2[nH]ccc2c1 58178567 YNRFCCXYLFWGON-INIZCTEOSA-N 425.964 5.293 0 40 IKAB Cc1ccccc1OCc1nnc(SCc2c(C)[nH]c3ccccc23)n1-c1ccccc1 59417508 QYKGDOJKJUHVNA-UHFFFAOYSA-N 440.572 6.237 0 40 IKAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)NCc2ccc(F)cc2)sc2ccccc12 72370802 KYMYHMPGKSBLJY-FQEVSTJZSA-N 438.568 5.304 0 40 IKAB CCOc1ccc(C(=O)N2CCC[C@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)o1 72396756 ZZCSPRFPLGMASB-IBGZPJMESA-N 429.520 5.550 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccccc3Cl)cc2)S1 85411755 YCMTYKUDCAJKOE-FQEVSTJZSA-N 427.957 5.876 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038068 XIDXNWGFPMRELT-UHFFFAOYSA-N 426.907 5.375 0 40 IKAB O=C(Nc1cc(F)cc(F)c1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96062747 NYGSJCDLKUNWBN-UHFFFAOYSA-N 433.439 6.149 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344085 ZTPFBQATVSMIJA-XMMPIXPASA-N 434.555 5.327 0 40 IKAB N=c1c2c(ncn1CCCn1ccnc1)Oc1ccc3ccccc3c1[C@H]2c1ccccc1 101122416 BJELJSWSHVKLFU-HSZRJFAPSA-N 433.515 5.088 0 40 IKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(C(C)(C)C)cc4)CC(O)=C32)cc1 102648167 ACWAEVCSYLUJHP-KPURRNSFSA-N 436.599 7.922 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Br)c2)cc(Br)c1OCC 108151074 GIPUAIXTDZESMK-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1OCC 214603077 RWTSTPPXHPRFGW-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 222684421 YZYXAYNRCWHIMY-IWMITWMQSA-N 443.403 6.159 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222772903 RUGCDMJOCUZBDK-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223031637 BVYZDCDNPSTRFH-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB COc1ccc(OCc2cc(C(=O)N3CCC(Cc4ccccc4)CC3)ccc2OC)cc1 224269070 DXSYILZNKBMMJF-UHFFFAOYSA-N 445.559 5.378 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C 224386372 SOHSPXWBSDOSAK-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(Cl)cc1 224504445 FABYTVBSJVFHHX-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 224701364 NOUNPDHPQFUSTJ-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 224900980 LSLZUFQFVAVVSV-CQSZACIVSA-N 441.786 5.133 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3C(F)(F)F)o2)cc1 224909446 LAKZDPMNYPJAJY-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 224909505 OLOWZNABYDFPOL-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB Fc1ccccc1CN1CCC(c2cc(Oc3ccccc3)nc(-c3cnccn3)n2)CC1 257319372 VSCPGCZGJGBTLC-UHFFFAOYSA-N 441.510 5.245 0 40 IKAB COC(=O)CC[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 257350643 YWMXOBLUILSCFX-QFUIAKITSA-N 446.628 5.345 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Br)cc1 408560537 DDEYDDPWRNIEPH-LNVKXUELSA-N 445.382 5.311 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Br)cc1 408573865 PFKPLVAIVHQVIR-ACCUITESSA-N 427.323 5.236 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cc(C)ccc2C)n1CC 408597064 ZMRNOLHXXDZQGK-UHFFFAOYSA-N 438.597 5.095 0 40 IKAB CCn1c(S/C(=C\c2cn(C)c3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408630768 AWKOWMIEKSNPCY-UNOMPAQXSA-N 438.940 5.328 0 40 IKAB O=C(O)/C(=C/c1cc(Cl)cc(Br)c1O)Sc1nc2ccccc2o1 408633002 ITQQGYLEFDXKNG-MLPAPPSSSA-N 426.675 5.167 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408697761 JEXZLUQXIPRFMV-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1OC 408819262 YWHPFAFSDXMSOG-IITPGXHISA-N 437.585 5.758 0 40 IKAB CCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409064722 DTZLNBOOIFGRIL-VXLYETTFSA-N 431.344 6.053 0 40 IKAB CCCc1sc2nc(SCC(=O)OCC)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409116944 MSCMWWCCHUUBFW-UHFFFAOYSA-N 436.986 5.017 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)cc1 409119377 SIXGFQSESZYVKA-UHFFFAOYSA-N 445.540 6.167 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1)c1ccccc1 409126307 HIDIZWKKNVWUTC-QGZVFWFLSA-N 438.980 5.703 0 40 IKAB CCOc1cc(Br)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c1O 409137391 WFBQAGGNQDWCJB-CXUHLZMHSA-N 440.359 5.170 0 40 IKAB CCOC(=O)C(c1ccc(OC)c(Cl)c1Cl)c1ccc(OC)c(Cl)c1Cl 504342744 LXSIUEQYQSOFEJ-UHFFFAOYSA-N 438.134 6.012 0 40 IKAB in-vitro O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@@H]34)[C@@H]21 524729389 RGMOWKMCHFVBQH-IDPBPBMLSA-N 435.490 5.012 0 40 IKAB biogenic Cc1ccc(C(=O)N2CC3(CCOCC3)c3cc(-c4cnn(CC5CC5)c4)ccc32)s1 585105899 XATWPMXATYUVFG-UHFFFAOYSA-N 433.577 5.039 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264424 BPSXHCNAZXZHSU-DWQJTFDBSA-N 428.500 5.346 0 40 IKAB CC1(C)CCCN(Cc2ccc(Cl)cc2)Cc2cccnc2Oc2ccccc2OC1 643567152 SPZKRMVAVABDFJ-UHFFFAOYSA-N 436.983 6.728 0 40 IKAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4ccccc4C(C)C)n3C)oc12 687534 JUJJAQCPSQRUNG-UHFFFAOYSA-N 436.537 5.091 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1 706433 QCZMEFVTKXMHLB-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 714854 ANILZHIAVXONTN-CJNGLKHVSA-N 440.809 5.051 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CC[C@H](C)C3)cc1 722338 ZVOHQIVCWAAMJI-KRWDZBQOSA-N 448.588 5.705 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C 725745 APAMXHLGKORGCF-KBMIEXCESA-N 430.523 5.678 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2ccccn2)CCCCC1 792630 RWVCYUFQCFVRKY-UHFFFAOYSA-N 441.575 5.682 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 900256 JLAHMPDXOLESRQ-IBGZPJMESA-N 443.576 5.125 0 40 IKAB COc1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1OC 1363083 QAUVHGZPXURDRY-LJQANCHMSA-N 449.551 5.071 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 1371066 UDZVUHVUXYIJPI-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB CCc1ccc(OCCCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)c(Br)c1 1791485 QFMJNSDNXDVDBS-UHFFFAOYSA-N 448.357 5.374 0 40 IKAB CCCCCCNc1c2c3c(c(Br)ccc3n(C)c1=O)C(=O)c1ccccc1-2 2055695 UENHGCBIMUIUCS-UHFFFAOYSA-N 439.353 5.505 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(C)c4)o3)ccc21 2184316 MFJMIILBUCOBNW-UHFFFAOYSA-N 442.544 5.904 0 40 IKAB Clc1ccc(Cc2ccccc2COCc2ccccc2Cc2ccc(Cl)cc2)cc1 2187530 AFMDRFRYIPXLJZ-UHFFFAOYSA-N 447.405 7.892 0 40 IKAB CSC1=NC2=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@@H](c3ccc(C)cc3)N2N1 2253433 ZCKRVNLUKYRHRJ-RPWUZVMVSA-N 438.556 5.490 0 40 IKAB O=C(N[C@H](c1ccccc1)c1cccc(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 2307337 HOFKOZBBHXEODO-CLJLJLNGSA-N 428.482 6.143 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccccc2)cc1 2353978 UQSBUOWJUBSTGJ-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB Cc1ccc(CSc2nnc(-c3cc4ccccc4o3)n2Cc2ccccc2)c(C)c1 2355859 FUUKXZWJSMRQLK-UHFFFAOYSA-N 425.557 6.649 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H]2CCCC[C@H]2C)c1 2650314 BPHYUULDZLXTFA-CRAIPNDOSA-N 425.558 5.032 0 40 IKAB O=C(Nc1cccc(Oc2ccccc2)c1)c1ccc(-c2nc3ccccc3s2)s1 3311431 NSVLHUQIBITRHY-UHFFFAOYSA-N 428.538 7.069 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)c3ccc(Br)o3)cc2)cc1 3320029 JNFUKCRLKSYKNO-UHFFFAOYSA-N 428.326 6.774 0 40 IKAB CCOC(=O)C1=C(C)OC(N)=C(c2nc3ccccc3s2)[C@@H]1c1ccc(Cl)cc1 3849119 IHRSDABHEYOXDG-GOSISDBHSA-N 426.925 5.228 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 3851768 YQABJZDZFGKJGZ-DRVJTKKISA-N 425.956 6.483 0 40 IKAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C(C)(C)C)cc1 4671159 BLKWPVIXZQTEMJ-UHFFFAOYSA-N 425.550 5.351 0 40 IKAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)c1ccccc1 6088422 PBFISBRKVJRJOS-CQSZACIVSA-N 449.359 5.285 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 6232749 LNTSHRPDUYJBSW-DRZSPHRISA-N 433.565 5.944 0 40 IKAB O=c1c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2ncn1-c1ccccc1)CCC4 8450772 VNCXROFCOZEGQW-UHFFFAOYSA-N 429.932 5.805 0 40 IKAB Cc1nn(-c2ccc(C(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 8636074 VQPWSNXJGFQWDN-DNQXCXABSA-N 428.580 5.524 0 40 IKAB biogenic,in-vitro CC(=O)[C@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 8745764 FYJVMTXWNGOQHJ-QHCPKHFHSA-N 433.508 5.408 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@@H]1Cc2ccccc2CN1C(=O)c1ccco1 8747063 FKQCNYLGCICHSZ-AAJFVQQISA-N 449.510 5.051 0 40 IKAB Clc1cccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)c1 8769536 KPSZIKIUWAHEFE-UHFFFAOYSA-N 442.990 6.926 0 40 IKAB C[C@@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(=O)c(-c3ccccc3)nnc2s1 8992299 WORNPSVSAYJOCX-HNNXBMFYSA-N 428.492 5.171 0 40 IKAB CC(C)Oc1ccc(CSc2nc(=O)c3c4c(sc3[nH]2)CSC(C)(C)C4)cc1 9046332 MPGBLTMXKSGQFN-UHFFFAOYSA-N 432.636 5.632 0 40 IKAB Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCCOC(C)C)[C@H]3c1ccc(Cl)cc1 9200065 NUELXABENOIYIE-QFIPXVFZSA-N 439.939 5.424 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)N[C@H](C)c2ccccc2)n1 9250104 ZRKQVANFHUWSIJ-LJQANCHMSA-N 433.577 5.229 0 40 IKAB CC[C@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9272406 AKDYSUBBXLTFJI-UWSIMGETSA-N 449.392 6.677 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(COc3ccc(C)cc3)n2CC)cc1 9307733 FHSFZIWGGZSBCH-UHFFFAOYSA-N 438.597 5.259 0 40 IKAB COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2C)cc1O 9344974 IEOBKZPMGMGKFK-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)cc1 9360959 CQFQVSLXHMDOIF-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c(C)c1 9428661 FXVOXLAGCBUJEU-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3cc4ccccc4nc3Cl)C2)cc1 9444493 WJBQYTTXMCSWRD-OAQYLSRUSA-N 431.879 5.481 0 40 IKAB Cc1nnc(S[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1C1CC1 9714216 PKPQSFBBCMKYJA-GOSISDBHSA-N 433.364 5.700 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9727106 RAWMTVYHINCFFY-INIZCTEOSA-N 446.981 5.177 0 40 IKAB Cc1oc2cc(O[C@H](C)C(=O)N(C)Cc3ccccc3)ccc2c(=O)c1-c1ccccc1 9788955 MXGOXJJKSJMWBY-LJQANCHMSA-N 427.500 5.194 0 40 IKAB Cc1ccc(CCCNC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 10110392 UFIBONNJDKSMMQ-HHHXNRCGSA-N 444.600 5.132 0 40 IKAB Cc1cc(NC(=O)c2cccc3c(Cl)cccc23)ccc1-c1cc2ccccc2oc1=O 10128879 CRDJWPVWUQFGLJ-UHFFFAOYSA-N 439.898 6.827 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(NS(C)(=O)=O)c1C 10363335 AGJNKQLQZSYRBK-UHFFFAOYSA-N 440.590 5.220 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(C)s1)c1cccs1 11148168 YTKIZKJEAVSTGF-GOSISDBHSA-N 427.595 5.311 0 40 IKAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4cc3N)C2)s1 12088078 CMFQOTGQOWKPQR-SFHVURJKSA-N 446.576 5.094 0 40 IKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N(C)C2CCCCC2)cc(C)c1Cl 12137056 BPLJFZMUJTYMML-UHFFFAOYSA-N 428.960 5.379 0 40 IKAB C[C@H](NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12)C12CC3CC(CC(C3)C1)C2 12530432 AZWIKTCMHMDUHM-BBXRDKHSSA-N 445.559 5.393 0 40 IKAB CSc1ccccc1NC(=O)CCn1cnc2scc(-c3ccc(F)cc3)c2c1=O 12762464 IRVGKOLVPZQRGK-UHFFFAOYSA-N 439.537 5.015 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)/C=C/c3ccccc3)c2c1 12894572 ZQDXPTPUKSKHDS-FYWRMAATSA-N 435.479 6.421 0 40 IKAB biogenic C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 12974010 WACGDRCAEQEROO-MRXNPFEDSA-N 441.647 5.583 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2C(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 13039901 ZDYKRHIASKSZHW-IBGZPJMESA-N 447.556 5.462 0 40 IKAB Cc1nc2ccc(NC(=O)c3oc4ccccc4c3CSC3CCCCC3)cc2s1 13102593 HBFCBIUANSSJJR-UHFFFAOYSA-N 436.602 7.169 0 40 IKAB C[C@@H](Sc1nc(C2CCCCC2)n(-c2ccccc2)n1)c1nc2ccccc2c(=O)[nH]1 13128709 DIWOUGLOSQAURD-MRXNPFEDSA-N 431.565 5.405 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(C)cc4C)ccc32)cc1 13583658 WVZBJXNBQOLFAP-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17094319 JOYKESHYROJZEF-ZHACJKMWSA-N 425.340 6.922 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4cc(C)ccc4o3)c2)cc1 17097584 LVOTVVHFESWTQS-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 17154493 LHNVROSKACPLPQ-BGYRXZFFSA-N 432.520 5.115 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)c3c(Cl)cccc3Cl)C2)n1 19286816 MURXJNATADQVFE-INIZCTEOSA-N 427.335 5.174 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(Br)c4)cc3)nc2c1 19648618 XJPROJGMRFQTKB-OAHLLOKOSA-N 449.348 7.023 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(OCc2ccccc2)cc1 20145004 URYPLTZFKLXJCO-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)c1 20737753 AVZJHTVFZSZDQU-KRWDZBQOSA-N 431.279 5.037 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O 21524540 IOZPZFXMWDKLDS-SFHVURJKSA-N 425.960 5.275 0 40 IKAB Cc1ccc(Cl)cc1N1CCN([C@@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 21548923 UILMYEAXSGGUHB-AWEZNQCLSA-N 426.775 5.104 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)NCCc2c(C)cc(C(C)(C)C)cc2C)CC1 21927402 NFDPZZGMKUHYCR-UHFFFAOYSA-N 434.624 5.120 0 40 IKAB COc1ccc(CCCN(C)C(=O)c2ccccc2SCc2ccsc2)cc1OC 21972311 OHMFGGSPSBUUCV-UHFFFAOYSA-N 441.618 5.762 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccc(F)c3)c2)cc1 22528680 HZKPPEGPKUOUCR-UHFFFAOYSA-N 449.551 5.502 0 40 IKAB CCSc1nc2n(n1)[C@@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 23118789 PCLQZXKRNNKGEO-NRFANRHFSA-N 433.581 5.189 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 24989316 LVDAWLAROUVQHG-OAHLLOKOSA-N 444.409 5.501 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 30847906 QELBBSGXEWJLBI-GOSISDBHSA-N 438.549 5.017 0 40 IKAB Cc1ccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)cc1NC(=O)c1ccccc1 32827653 GHDRIWYSHFUNKP-UHFFFAOYSA-N 427.479 5.066 0 40 IKAB CCc1cccc(C)c1Nc1c(-c2cc(OC)c(O)c(OC)c2)nc2ccc(Cl)cn12 35606458 CKABQDPHZYZJIW-UHFFFAOYSA-N 437.927 5.992 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4cccs4)ncnc32)cc1 35681695 UWLMOUXESFRJRG-UHFFFAOYSA-N 440.572 6.202 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCCC3)cc1 45932866 LUAYMHHLCCETHW-UHFFFAOYSA-N 448.632 6.316 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)c1 58163286 BXJFRLIRUMRVPH-XMMPIXPASA-N 435.955 5.207 0 40 IKAB CCOc1ccccc1CNC(=O)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472773 JMQXGNGNMOAEOV-UHFFFAOYSA-N 436.964 6.188 0 40 IKAB O=C(Nc1nccs1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 67298163 GHGMPMYEIGXGDC-BWAHOGKJSA-N 431.395 5.098 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2Cl)nc1-c1ccccc1 95348751 KYWKDHYMOHUUFW-IRXDYDNUSA-N 434.952 5.606 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccco2)C1 102702092 QMJPXRTYIUZVBT-VVVCHXIZSA-N 436.340 5.233 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]2C1=O 103313496 NIFSJXVZMQZQRL-YWUUFRFPSA-N 437.539 5.718 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106732538 NTHKJGONPHNZNB-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 110530576 GZYVZMWMBUTUMQ-QHHYFVSCSA-N 431.356 5.308 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 222623733 SKIGSZINOSZADX-XMCHAPAWSA-N 428.483 5.480 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 223028434 QCBPERZIAYXBRT-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB CSc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224272290 VDRUZMYVBFPAKV-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441837 BBZKIIHVGBYGTH-DNQXCXABSA-N 444.535 5.197 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224472741 NKRVVZWPVCGFPV-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)s1 224484009 FFKSQJKSEQCIAI-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224536196 HPEFHCNGUFNVNB-HNNXBMFYSA-N 446.981 5.260 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225087115 OWYJAGYNUXADRS-NRFANRHFSA-N 435.395 5.258 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1Cl 225344949 XLDUQGMIVWCIID-UHFFFAOYSA-N 435.829 5.875 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225524820 GGCBKBMXJWRUHV-QPPBQGQZSA-N 438.612 5.219 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1 257201081 AGFFXCCKMVBUJY-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 257217386 CYSOJEYJVWRUJI-UFYCRDLUSA-N 436.600 5.484 0 40 IKAB COc1cccc(-c2cc(-c3cc(Cl)ccc3OCC(=O)O)nn2CC(C)C)c1OC 257272423 NCIZJFZYBXZIKX-UHFFFAOYSA-N 444.915 5.007 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)n1 257305236 SPAGTIRFBUNFMB-FQEVSTJZSA-N 442.538 5.411 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1C(=O)NC1CCCCC1 408553382 VTLUMTVFFXHDES-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(CCC)c(-c3ccc(C)cc3)n2CC)cc1 408560927 FSGOFQDFQDPNEH-RQZHXJHFSA-N 436.621 6.417 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)N1CCCCCC1 408584907 WLNLXCUAFHNQRM-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB CCc1nc(S/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(=O)O)n[nH]1 408630932 DSPASOPTMDTXTJ-BKUYFWCQSA-N 449.507 5.456 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)c(C)c1 408694010 HBPPELUYBHIIKQ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(C)cc2C)cc1 408699955 XRNMFYFVCWLERH-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408751141 WYXDQABTXOEWGX-IRXDYDNUSA-N 426.538 5.407 0 40 IKAB Clc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 409102701 TVCXVOPJNDCVNQ-UHFFFAOYSA-N 428.948 6.428 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Br)cc1 409181516 CIQODQYOVHSLSO-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409192717 ZPPVUIFSSDWDHH-LDADJPATSA-N 427.934 6.634 0 40 IKAB CC(C)Cc1nc(COc2ccccc2C(C)C)c(C(=O)O)cc1-c1cccc(Cl)c1 585265154 HVGCSFHNQZOXCC-UHFFFAOYSA-N 437.967 7.001 0 40 IKAB Cc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)c(C)c1 711289 SWWRUXLEORJKAU-UHFFFAOYSA-N 432.492 6.474 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848517 GAJOUALBCIINAV-LLVKDONJSA-N 426.826 5.066 0 40 IKAB COc1ccc(C)cc1NC(=O)/C=C/c1ccc(OCc2ccc(Cl)cc2)c(OC)c1 951424 NCFROZLRNRDJCK-MDWZMJQESA-N 437.923 5.897 0 40 IKAB CCn1c(CNc2cccc(Cl)c2)nnc1S[C@@H](C)C(=O)Nc1c(C)cccc1C 976287 WRQOIYGWISTPOI-INIZCTEOSA-N 444.004 5.300 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 999494 LJUPEZOJSBKFTP-PKOBYXMFSA-N 448.876 5.469 0 40 IKAB COc1cc(Br)cc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@@H]21 1407909 GAWJMJYFQHTHOO-LAUBAEHRSA-N 443.272 5.432 0 40 IKAB COc1ccc(-c2cc(-c3cc(C)cc(Cl)c3O)nc3[nH]c(=S)[nH]c(=S)c23)cc1 1644476 AWGUWGKIKFSCIV-UHFFFAOYSA-N 441.965 6.360 0 40 IKAB O=C(c1ccccc1Cc1ccc2ccc(C(F)(F)F)cc2c1)c1cccc2ccccc12 1656990 SAEOLLAWXGHSLU-UHFFFAOYSA-N 440.464 7.834 0 40 IKAB O=c1cc(-c2ccccc2)c2cc(Cl)c(OCc3cccc(C(F)(F)F)c3)cc2o1 1902801 VSNKACNALIVRBK-UHFFFAOYSA-N 430.809 6.711 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)OC1CCCCC1 2074021 AVQOAIRHAFCSET-UHFFFAOYSA-N 427.957 5.556 0 40 IKAB COc1ccc(OC)c(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 2183218 FGUYDHGJBALXBM-UHFFFAOYSA-N 426.303 6.364 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)c1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 2290211 GNWQTMLPZTVUHE-UHFFFAOYSA-N 432.035 7.372 0 40 IKAB COc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2412052 KPLCMYMIAGOVAO-UHFFFAOYSA-N 426.520 5.137 0 40 IKAB Cc1ccc(-n2c(SCCCOc3ccc(F)cc3)nnc2-c2ccccc2)cc1C 2656153 OSNDEXWMLKAKCY-UHFFFAOYSA-N 433.552 6.251 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(S(=O)(=O)Nc2ccccc2F)cc1 2658588 FYOYODWKIURPGK-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(C)COc1cccc(OCC(=O)Nc2nc3ccc(SC(F)F)cc3s2)c1 3189877 IMUPAPSJUZRYOD-UHFFFAOYSA-N 438.521 5.663 0 40 IKAB CC(C)(C)c1cc(CSCc2cc(C(C)(C)C)cc(C(C)(C)C)c2)cc(C(C)(C)C)c1 5839246 KBWNNFVHCGCJRF-UHFFFAOYSA-N 438.765 9.310 0 40 IKAB COc1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccco5)nc4c32)cc1 8682634 MUPBTELOTRVYLW-QFIPXVFZSA-N 446.466 5.832 0 40 IKAB aggregator Cc1cc(C)c(C)c(Cn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1C 8756264 YFHQPXDVKAKKJI-NRFANRHFSA-N 441.550 5.978 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3cccs3)c1)O[C@H]1CCCC[C@H]21 8783013 JYQQAGGPXAPCLP-XHNVNVPESA-N 449.572 6.163 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 8832464 ZYLRNOUTVHUVGE-JTQLQIEISA-N 449.359 5.791 0 40 IKAB Cc1cc2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2c2ccccc12 8845904 NTXUHLUHSJSPQM-UHFFFAOYSA-N 431.546 5.045 0 40 IKAB O=C(c1nc(SCc2ccccc2)ncc1Cl)N(Cc1ccccc1)c1ccccn1 8846129 HIZWYFDQVYONFA-UHFFFAOYSA-N 446.963 5.664 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 9063986 BASAWPSWAXYARF-UHFFFAOYSA-N 448.979 6.134 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2ncnc3sc(C)c(C)c23)cs1 9128086 QQAIYPFJYMSZFJ-UHFFFAOYSA-N 440.619 5.547 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccccc1Cl 9277448 QSOALVNWAYNIAD-UHFFFAOYSA-N 446.359 5.702 0 40 IKAB CCOc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292836 XLFGJRLYWRFFKK-GMAHTHKFSA-N 448.364 6.344 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(Br)cc2)c(Cl)c1 9296335 GEUNPHAGYYQPKI-WOJGMQOQSA-N 440.724 6.174 0 40 IKAB CCOC(=O)C1=C(C)N(Cc2ccccc2Cl)C(=S)N[C@@H]1c1ccc(Cl)cc1 9306242 PQGPUZXIKKQMAD-LJQANCHMSA-N 435.376 5.262 0 40 IKAB O=C1S/C(=C/c2cc3c(cc2Br)OCO3)C(=O)N1c1cccc(Cl)c1 9310710 ONYARPOAULBSNC-PJQLUOCWSA-N 438.686 5.072 0 40 IKAB CC(=O)[C@H](Sc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1)c1ccccc1 9387312 RHAKFSNVSQJAEA-NRFANRHFSA-N 434.586 5.546 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Br)cc1 9425539 COZABWHSXRETKV-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)NCc4ccccc4)ncnc3c2c2c1CCC2 9461911 OHPXRPKBPCLNBU-UHFFFAOYSA-N 448.617 5.260 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 9463848 UXHBCOCOUDBVKY-UHFFFAOYSA-N 440.572 5.242 0 40 IKAB C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)N(C)CC(=O)Nc1cccc2ccccc12 9464177 OYJCZFVQLLLXHY-CQSZACIVSA-N 430.335 5.044 0 40 IKAB COCCn1c(SCc2csc(N(C(C)=O)c3ccccc3)n2)nc2ccccc21 9520211 QZLGHBOLUQAEPY-UHFFFAOYSA-N 438.578 5.116 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)o1 9549965 MIIAZDBAKJNFKE-UHFFFAOYSA-N 437.590 5.743 0 40 IKAB O=C(CCC(=O)c1ccc2c(c1)OCCCO2)Nc1ccc(OCc2ccccc2)cc1 9579140 ASZINAWTOHVBEA-UHFFFAOYSA-N 431.488 5.029 0 40 IKAB CCCCc1ccc(NC(=O)CSc2ccc(-c3ccc(-n4ccnc4)cc3)nn2)cc1 9712913 BAGNFIHAPNTOER-UHFFFAOYSA-N 443.576 5.403 0 40 IKAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1cccc(Br)c1 9713864 ALRFFQQEBGXCAR-UHFFFAOYSA-N 436.762 5.015 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 10112192 FGELYDQLEZNHLZ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1Cl 10119205 VCJJAXAVOULFBL-UHFFFAOYSA-N 446.934 6.213 0 40 IKAB O=C(Nc1ncc(Cc2cccc3ccccc23)s1)c1cc(Br)cs1 11690087 PMBHYNJETGALTE-UHFFFAOYSA-N 429.364 5.963 0 40 IKAB Cc1ccc(OCCSc2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)cc1 12062330 UPQVSBKHPVWVKE-UHFFFAOYSA-N 425.598 5.161 0 40 IKAB CCN1C(=O)[C@]2(c3ccccc31)c1ccc3ccccc3c1Oc1ccc3ccccc3c12 12412031 HAZRONPSIPECCG-SSEXGKCCSA-N 427.503 6.800 0 40 IKAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 12483834 RSCVICUOTMZZKX-UHFFFAOYSA-N 446.510 6.043 0 40 IKAB Cc1c(Cl)cnc(NC(=O)COC(=O)c2ccccc2Oc2ccccc2)c1Cl 12634751 FTZSAXRBLGMLJD-UHFFFAOYSA-N 431.275 5.285 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@]2(C)C3(Cl)Cl)cc1OC 12656596 BSUGGWNAIDDENT-SMIHKQSGSA-N 441.354 6.317 0 40 IKAB COc1ccc([C@@H]2[C@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 13070243 FOPPEBIIIMFZNG-ATIYNZHBSA-N 444.531 5.135 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)Nc2ccc(-c3ccccc3)cc2)o1 13115914 ORRRXXXJJBWJMT-MRXNPFEDSA-N 449.507 5.747 0 40 IKAB COc1ccc2c(-c3cccnc3)cc(SCc3ccc(Cl)c(Cl)c3)nc2c1 13117117 MCLXUSCRKLSIKP-UHFFFAOYSA-N 427.356 6.905 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 13513929 HPTHNDYQTHFAPJ-UHFFFAOYSA-N 442.390 7.135 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(CC)cc3)n2CC)cc1 13871556 DALOOBJOAKEHEH-QGZVFWFLSA-N 438.597 5.294 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)oc2cc1C 13946114 ZRNOKNIDJZNWMV-UHFFFAOYSA-N 432.523 6.882 0 40 IKAB Cc1ccccc1-c1cc(C(=O)Nc2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc2n1 13966651 ZEUPIFWYUCFFSC-UHFFFAOYSA-N 448.526 5.260 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 14404968 OLHBLYZUCIKXNH-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 14793448 ZRPQFFJPFNZSHY-UHFFFAOYSA-N 445.906 5.775 0 40 IKAB Cc1cc(Cl)ccc1Nc1nc(N2CCC(Cc3ccccc3)CC2)nc2c1cnn2C 15682335 IZIZFGJXJDJDGQ-UHFFFAOYSA-N 446.986 5.528 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(Cl)cc1C(F)(F)F 17097256 ILGVYYZXCQEYDD-UHFFFAOYSA-N 430.923 5.778 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 17180206 PRDMIOJBGBGMSB-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 18125055 YUGKFMIYXGYIOD-HNNXBMFYSA-N 446.931 5.113 0 40 IKAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(Br)cc2)ccc1Cl 20110862 ISUDUHAPMIGORU-UHFFFAOYSA-N 442.762 5.151 0 40 IKAB CCOc1ccc(-c2nc3sc4c(c3c(-c3ccc(C)cc3)c2CC(=O)O)CCC4)cc1 22461843 PYCAJDXNSWTDBG-UHFFFAOYSA-N 443.568 6.453 0 40 IKAB C/C=C/c1ccc(OCC(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 23011400 PMMYAUGEKQOETA-XVNBXDOJSA-N 431.492 5.390 0 40 IKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)Cc1noc2ccccc12 23787960 KJXWHZWDFOTKME-UHFFFAOYSA-N 425.282 5.051 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24500901 JGAAVOAQTIGEKR-UHFFFAOYSA-N 446.528 5.259 0 40 IKAB COc1ccc(CN(C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2ccccn2)cc1 27792838 WRUGEARYSWEZHW-UHFFFAOYSA-N 434.879 5.005 0 40 IKAB O=C(COc1ccccc1)Nc1nc(-c2ccc(-c3ccc(C(=O)O)cc3)s2)cs1 27913758 UAJLGXBZCGUCFV-UHFFFAOYSA-N 436.514 5.254 0 40 IKAB CCOc1cc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(OCC)cc1C 31904067 YRLMRFKDVLIRBN-UHFFFAOYSA-N 439.577 5.184 0 40 IKAB Cn1cc(-c2nc(-c3cccc(Cl)c3)no2)c(=O)c2cc(F)c(N3CCCCC3)cc21 33255935 VDFJFNVWIUIZIV-UHFFFAOYSA-N 438.890 5.038 0 40 IKAB COc1cccc(/C=C2\SC(=S)N=C2O)c1OCc1ccc(Br)cc1 33436954 HURDKEWIPNGAHV-DHDCSXOGSA-N 436.352 5.366 0 40 IKAB COc1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C2=O)cc2c1OCO2 35324158 FBJLPYMCBZFUML-NBKJTZPISA-N 436.592 6.419 0 40 IKAB CC(C)c1ccc(CCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 36613776 PLFLNBDZKBCJGW-SFHVURJKSA-N 426.626 5.693 0 40 IKAB CCc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(Cl)cc1 40397431 QPBQDZLXXIXJBO-UHFFFAOYSA-N 449.341 5.629 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1Cl 44939869 IWKZWRLSJMMOMU-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1C 48985627 QNQUJQQGQVCSLU-UHFFFAOYSA-N 442.606 5.566 0 40 IKAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl 58304489 WHPYYVHPMMYJDQ-GJZGRUSLSA-N 448.394 5.471 0 40 IKAB NC(=O)c1c(SCC(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c2c1CCCC2 67257830 PFGIMEJUVGQTEK-UHFFFAOYSA-N 436.964 5.355 0 40 IKAB CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)c1 67294914 LKJHARIJPVNIOA-NMWGTECJSA-N 427.938 5.749 0 40 IKAB COc1ccc(Cn2c(SCc3c(C)cc(C)cc3C)nc3ccsc3c2=O)cc1 71327622 ILYQNKWHTWGCKE-UHFFFAOYSA-N 436.602 5.732 0 40 IKAB O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccc(F)cc1 71768730 BPWFKBURDOHCSC-UHFFFAOYSA-N 434.920 5.730 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 72394580 HPSKMQMFDJTXPS-GOSISDBHSA-N 440.440 5.566 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc3ccccc3c2C)n1C 101188692 KJJPMHZXLMBUMS-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB Cc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CCCn4ccnc4)c(=N)c32)cc1 101350383 DHQBDNZSHZEZSL-XMMPIXPASA-N 447.542 5.397 0 40 IKAB CC1(C)CC2=Nc3sc(C(=O)c4ccccc4)c(N)c3[C@@H](c3ccc(F)cc3)C2=C(O)C1 103546951 NWGKGPICPVVJLY-IBGZPJMESA-N 446.547 6.551 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OCC 107688733 APHAJSIALUOZIA-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB CC(=O)O[C@@H]1C=C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 123237924 XKOUVMYXXFCCBC-GQRDYSQKSA-N 428.701 7.815 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1Cc1ccccc1 214069785 NFSWEMYPEBEPLY-WOJGMQOQSA-N 430.312 6.490 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc2C)c(C)c1 216240507 PQWDBOZCKNYRKG-DEOSSOPVSA-N 448.588 5.220 0 40 IKAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c(C)c1 218884285 MYJPUZUDHXXTAT-UHFFFAOYSA-N 448.357 5.249 0 40 IKAB O=Cc1ccc(OC(=O)[C@@H]2C[C@@]3(Cl)C(Cl)=C(Cl)[C@@]2(Cl)C3(Cl)Cl)cc1 221844710 WYZONEKYHPKPHC-CUOATXAZSA-N 448.944 5.256 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 222552009 HCEQTHNNEZNDAV-QFIPXVFZSA-N 445.003 5.174 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222557244 JXJZKRYFOYUPKR-NRFANRHFSA-N 433.017 5.154 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 222631342 ZDEOIUGNZYMWGO-OUWQEXSBSA-N 430.360 6.238 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 222919551 PAHRJSSXQJZNPR-QHCPKHFHSA-N 434.536 5.303 0 40 IKAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223050589 GXCLESMICPUVCQ-XMMPIXPASA-N 434.967 5.006 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1Cl 223076838 ZWHYROCUQDWXAU-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C 223510072 DIZYHALUHNZOGB-LOSJGSFVSA-N 439.588 5.057 0 40 IKAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 223746616 QJLLTQVBYZPMGO-UHFFFAOYSA-N 437.561 5.403 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223891419 LQHXAJLBFVGIOF-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(Cl)c1 224488689 GVFLJRVZSKAIEH-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NCCSCc1ccc(Cl)cc1 225303176 TXFJRPUPRPOPBF-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)CC(C)(C)O2 225369044 FWDIKQFPLUCMEV-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2Cl)CCCC1 225528853 ZMAYTDAVXZOOQT-UHFFFAOYSA-N 447.406 5.919 0 40 IKAB S=C(NCCCc1ccccc1Cl)Nc1ccc(CSc2ccccc2)cc1 225540474 LWMRWVFIEKNYJL-UHFFFAOYSA-N 427.038 6.552 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)cc1Cl 225575629 YVPQSQKDDHKKHO-UHFFFAOYSA-N 449.950 5.360 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)c(Br)c1 225829562 PEFQECPMUOGDSS-UHFFFAOYSA-N 432.343 5.109 0 40 IKAB Brc1cc(Br)c2[nH]c(-c3ccccc3Br)nc2c1 226343134 LWLPSPQSBHDBQS-UHFFFAOYSA-N 430.925 5.517 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]12C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)N=O 257350639 YWKIAPGRTFZIHG-RERLQOTMSA-N 436.124 8.809 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638814 DMMNBLGAJPTCEO-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 408750459 NHGCJONYQSIIDT-IYBDPMFKSA-N 442.993 5.922 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccccn1 408822895 CKYNUEYMCXKFOH-UHFFFAOYSA-N 433.536 6.791 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)cc1 409091555 VCRKWASRJLWPJX-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)Nc2ccccc2)c1C 409109423 DPKYBGRPOKDNLY-UHFFFAOYSA-N 442.924 5.391 0 40 IKAB CCc1ccccc1NCc1cc(Br)c(OCc2cccc(F)c2)c(OC)c1 409116353 UWJGYXULILWXSS-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409117882 XYQWAXZJPSIJPC-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cn1c(CC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1SCc1ccc(Cl)cc1 409347596 QHWOQHKEKAVAOX-UHFFFAOYSA-N 441.771 5.249 0 40 IKAB Cc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)c3cccc(Cl)c3F)CC2)n1 585263504 OUPLYVDXWMRNBJ-UHFFFAOYSA-N 445.951 5.106 0 40 IKAB Cc1ccc(CN2CCC3(CCCCc4ccccc4OC[C@H]4CCCN4C3=O)CC2)cc1 643563438 VLTHNGJSJPIGJD-AREMUKBSSA-N 446.635 5.374 0 40 IKAB CC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872776 OMSVFHNZZKLKJW-HOUBMWHVSA-N 440.555 6.074 0 40 IKAB CC1=C[C@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@@H](C)C1 783601 WJBCXGNDJCUFGU-PMACEKPBSA-N 434.621 5.713 0 40 IKAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 863677 FBJXWUQYKWOIGC-UHFFFAOYSA-N 430.700 5.133 0 40 IKAB CCOC(=O)CSc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccn2)n1 1387486 ILQBNYMZXCKZDA-UHFFFAOYSA-N 431.970 5.140 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc3o2)cc1 1414894 AXMDVDMUAXDNFW-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCC2 1903734 NBRXXFJRBHQHDA-UHFFFAOYSA-N 442.364 5.518 0 40 IKAB CC(=O)c1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 2289441 SKNHJJPOHXVATO-UHFFFAOYSA-N 446.300 6.086 0 40 IKAB COc1ccccc1Nc1ccc(NC(=S)Nc2ccc(Oc3ccccc3)cc2)cc1 3255679 PYHPCYCHZGSKPM-UHFFFAOYSA-N 441.556 7.040 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)c1ccccc1NC(=O)Cc1ccccc1F 3325302 ZYZNFWQYBLTHMD-UHFFFAOYSA-N 426.875 5.230 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc2c(c1)CCC2 3413860 KZBDGFWVXLPKRE-UHFFFAOYSA-N 427.573 5.499 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccc(OC)cc1 4043179 JSHXXHUKOLMTHC-IAPPQJPRSA-N 437.624 5.905 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 4811566 RJJBNZOLYQZPJQ-ZSQNXENKSA-N 429.541 5.825 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F 5031938 KHFBTGSGQORUSE-XNMGPUDCSA-N 425.588 6.036 0 40 IKAB CCCCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 6481698 VNJGUMRKAUEBKP-UHFFFAOYSA-N 444.988 5.350 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 8746058 OABNDPXTTGYXIA-LBPRGKRZSA-N 425.464 5.462 0 40 IKAB CCCOc1ccc(/C=C2/S[C@@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 8916890 RNASDLCEOCKJBB-XKGHIZKOSA-N 445.584 6.612 0 40 IKAB O=C(CSc1nc2ccc(Cl)cc2o1)N[C@H](c1ccc(F)cc1)c1cccs1 9052061 NUUBVEFGPKGEDH-LJQANCHMSA-N 432.929 5.680 0 40 IKAB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccccc1Cl 9165035 BCUVQEQKYRSQDI-UHFFFAOYSA-N 425.879 5.364 0 40 IKAB CCc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308832 HCQQIVIDDKLUPG-FYYLOGMGSA-N 432.365 6.508 0 40 IKAB Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nc4ccccc4[nH]3)n2)c1 9327462 LNLIPHPFBFVGCF-UHFFFAOYSA-N 439.548 6.003 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc12 9402655 MMLCFMVNASNTLW-UHFFFAOYSA-N 446.557 5.465 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)c1 9518423 NRAWVTJAQKVJFE-NTCAYCPXSA-N 442.471 5.354 0 40 IKAB Cc1cc(C)cc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)c1 9663643 PZWDUFUBDZDWRI-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB COc1cccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)c1 9674111 ZYVCNMOELFSFFW-UHFFFAOYSA-N 433.533 5.062 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10326290 KLGZOGGBKVFUAT-GOSISDBHSA-N 448.588 5.204 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)c2ccco2)c1 12420193 UOWXKHBODKGGSD-MPCDZSKCSA-N 433.504 5.695 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 12748828 KMHPGBJNARJRJI-RUZDIDTESA-N 428.511 5.098 0 40 IKAB Cc1ccc(OCC(=O)N2CCC(c3nc4ccccc4s3)CC2)c(Br)c1 12805342 BYYKLLYEUZLOOS-UHFFFAOYSA-N 445.382 5.152 0 40 IKAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(C3CCCCC3)c2=S)CC1 13071523 VQIWMDKBLZJXFJ-UHFFFAOYSA-N 439.456 6.582 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498407 SYAGFNOHSVUYIB-RUZDIDTESA-N 432.589 5.432 0 40 IKAB C[C@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@@H]1C 13579168 IIOAHCKQGJYWKY-ROUUACIJSA-N 447.629 5.954 0 40 IKAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1 14291415 LMDLKSYVSDZVCA-ACCUITESSA-N 440.293 5.538 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1ncnc2scc(-c3ccccc3)c12 15171095 PYZJJOTYWRBQAO-UHFFFAOYSA-N 443.359 5.740 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4cccc(C)c4)cc3n2)cc1 16193186 UFDPPMDBFAYJPF-UHFFFAOYSA-N 448.954 5.742 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1ccccc1)[C@H]1CCCC=C1N1CCCCC1 16249394 KRZMLUCWKMLMMF-IGKIAQTJSA-N 427.592 6.188 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc4c(c3)OCCO4)c2)cc1 16323160 BIEPHNLKIVFEHF-UHFFFAOYSA-N 430.504 5.260 0 40 IKAB CC[C@H](CCNC(=S)Nc1ccc(Cl)cc1)NC(=S)Nc1ccc(Cl)cc1 16611327 OEHAPEHRQXUBBU-OAHLLOKOSA-N 441.453 5.435 0 40 IKAB Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@H]4[C@]3(O)C(F)(F)F)n2)cc1 16957571 SNXRDYREUBKUGY-UTKZUKDTSA-N 429.467 5.156 0 40 IKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1C(C)C 16991610 MMNHKLMGTNQBIC-UHFFFAOYSA-N 425.941 5.887 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1ccc(C)cc1C 17180015 BMXICPDOABEZDN-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc2nc(N/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=O)c4ccccc43)sc2c1 18099288 AOSXSZUSGGNTBQ-KGENOOAVSA-N 439.540 5.862 0 40 IKAB Cc1cc2cc(NC(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2o1 19126555 NBOWNGBZVMPBMW-SFHVURJKSA-N 435.524 5.268 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cnn(C(C)C)c4)CC3)noc2n1 19452153 ZTFKEWHNOLDQGF-UHFFFAOYSA-N 449.477 5.162 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 19631010 YOMRUHJLCLXSST-UHFFFAOYSA-N 440.135 5.141 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)c1 19636542 XJQRYNGDQUQILL-OALUTQOASA-N 442.559 7.438 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 19646737 BBRBZAFUSNUGKU-UHFFFAOYSA-N 447.970 5.789 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(C(C)(C)C)cc2)o1 19929057 OYALPXPRZGDYLH-UHFFFAOYSA-N 433.581 5.529 0 40 IKAB CCOc1ccc(/C=C/C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1OC 20151143 DPZYMONCFSLZBZ-VZUCSPMQSA-N 427.884 5.152 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1Cl 20492528 LFHLGKAUMJBPKC-PXLXIMEGSA-N 435.907 5.705 0 40 IKAB CCc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(CC)cc4)CC3)cc2)cc1 20528717 KEOUHFLWCQKICB-UHFFFAOYSA-N 441.575 5.026 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 20611006 AAQJDPOQOMTELG-INIZCTEOSA-N 434.927 5.812 0 40 IKAB Cc1ccc(CCC2CCN(C(=O)[C@@H]3CCCN(C(=O)Nc4ccccc4)C3)CC2)cc1 21128977 ZYLVASJUXOTJBW-XMMPIXPASA-N 433.596 5.110 0 40 IKAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2Cl)c(OC)c1 22110355 AIULKERASBZWAH-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB CCOc1cc(CN(C)C(=O)c2sc(-c3ccc(C)o3)nc2C)ccc1OC(F)F 25147301 HLYNYAPHPYXEOZ-UHFFFAOYSA-N 436.480 5.292 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 26461387 NGCOCSYECKWQCU-IBGZPJMESA-N 434.298 5.391 0 40 IKAB CCN(CC)c1ccc(C(=O)Nc2nc3ccc4nc(SC)sc4c3s2)cc1 27528296 FGSYEPPIDQYMAW-UHFFFAOYSA-N 428.608 5.726 0 40 IKAB O=C(Oc1ccccc1/C=C1\C(=O)N(c2ccc(Cl)cc2)C(=O)N=C1O)c1ccccc1 33784893 IYQREOOMHRHRSK-RGEXLXHISA-N 446.846 5.066 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2N(C)c2ccccc2)c1 40122761 NIJPLHQUKLYMOM-UHFFFAOYSA-N 429.549 5.323 0 40 IKAB COc1cc(CN(C)C(=O)Nc2ccn(-c3ccccc3)n2)ccc1OCc1ccccc1 48362427 DWHCJAXOLZQVTL-UHFFFAOYSA-N 442.519 5.124 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)cc1Cl 58051918 HWODRUYISBCLSF-UHFFFAOYSA-N 438.915 5.803 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(C)c4)nccn3n2)cc1 67290570 BPGYKLZTIWDKCV-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB Cc1ccsc1CN1CCC[C@@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 72330553 HKPWKVCNGBNTTD-GJZUVCINSA-N 433.621 5.154 0 40 IKAB COc1cc(OC)c(OC)cc1/C=C/c1nc2ccccc2c(-c2ccccc2)c1C(=O)O 96026311 MBBXIEHFOYZJJT-BUHFOSPRSA-N 441.483 5.796 0 40 IKAB COC(=O)C[C@@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O 96335859 MERDHOXMXBDHQT-SFHVURJKSA-N 448.899 5.125 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 100429661 DYWAUUYYCXLNMX-QUGAMOGWSA-N 446.934 6.893 0 40 IKAB Cc1ccccc1CSc1nnc2[nH]c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 101123467 ALZLOWRVKVJWBK-UHFFFAOYSA-N 428.561 5.053 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102731577 YWUHXCWFBDRRAC-LHSJRXKWSA-N 425.315 6.898 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1c(F)cccc1Cl 106740109 RBLUYZCXUVCWFZ-WQRHYEAKSA-N 445.924 6.460 0 40 IKAB Cc1cc(C)c(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1 111458484 MUAGTDWBGUUOEQ-UHFFFAOYSA-N 444.581 6.314 0 40 IKAB CC(=O)O[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118916304 AHQGBTJUQBJWCN-XMLICAENSA-N 436.592 6.107 0 40 IKAB CCC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933542 QHOMXCCLTQDVMP-WTHLBDDQSA-N 428.657 6.893 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 214942346 NEQGUEZNQOSFSP-ONDHQXCVSA-N 446.366 5.863 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 222388092 VACFAGPVBWOXEI-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222851012 HHWIRIYXRPKZGD-PMACEKPBSA-N 441.940 5.074 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222887720 MZFWNMNYYSXRAC-LJQANCHMSA-N 440.603 5.388 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 223074065 MUOIJBNZBHBLAS-FGZHOGPDSA-N 441.984 5.312 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223442826 VQPXOFVACLIUOO-BJKOFHAPSA-N 432.593 5.180 0 40 IKAB COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 223836750 NTLDCHYIIUFZQT-UHFFFAOYSA-N 431.897 5.028 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc(Cl)c1 224147836 ZIZAPSYCIBJTJC-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1 224196022 FKADLPKDGPLYLF-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224315570 QGFWFNXWMCHJEP-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1C 224338864 SSUVNQXHZBCSDE-SFHVURJKSA-N 449.422 5.342 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 224524898 NFIOIXAKGRFQAP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1C 224607412 LOKRIOSYCIOTIU-UHFFFAOYSA-N 447.575 5.571 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OCC 224727769 WWXUBVPKAOTLJA-UHFFFAOYSA-N 429.866 6.327 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2F)n1-c1ccccc1 245173960 YDZIOTREWHTGHZ-UHFFFAOYSA-N 427.504 5.812 0 40 IKAB O=C(O)CCN(CCc1ccccc1)C(=O)CCn1c(C2CCCCC2)nc2ccccc21 257276174 NSQCNLZKPYDIAP-UHFFFAOYSA-N 447.579 5.020 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)CC1 257283823 OZZGQCQSADTNOK-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c1 257305829 SRSPJANFOAAUBW-UHFFFAOYSA-N 444.506 5.679 0 40 IKAB CCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1 408532577 ZXRRZPFMSNZDOQ-UHFFFAOYSA-N 440.499 6.334 0 40 IKAB COCCNC(=S)c1cc(Br)ccc1OCc1c(Cl)cccc1Cl 408577467 SQCMFHDQIDSJIR-UHFFFAOYSA-N 449.197 5.246 0 40 IKAB CCc1nc(S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O)n[nH]1 408631490 JONGSKJCQXEVPX-STZFKDTASA-N 431.517 5.317 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 408678269 IBAONYHVMPOQPV-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2C)c1 408699542 XSXKTFXEXPDWRD-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 408730027 DLUHJQGHUVAMMF-UHFFFAOYSA-N 428.535 7.372 0 40 IKAB Cc1cccc(Cn2cc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)c3ccccc32)c1 409144253 DZXFKLZXXJCTND-MFKUBSTISA-N 444.600 6.615 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc2)cc1 409182443 KWGHMCMLIKCQEI-MHZLTWQESA-N 449.506 6.028 0 40 IKAB O=C(CC[C@@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 409206326 UNHUJCFDANIFNY-OAQYLSRUSA-N 448.975 6.583 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409256162 ODPQBZPQAPWKBU-LQECKZLJSA-N 430.498 6.514 0 40 IKAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 866817 LIPPHDMICQMURW-RJIBLYRGSA-N 435.277 5.379 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cc(CC)ccc3[nH]c2=O)C2CCCC2)cc1 924179 HDVQPLCQGWTXQA-UHFFFAOYSA-N 449.620 5.631 0 40 IKAB COc1ccc(/C=C2\CCCC3=C2N=C2SCC(=O)N2[C@@H]3c2ccc(OC)cc2)cc1 1108039 HGEXBZTVUXGNBU-YLJZTEMXSA-N 432.545 5.212 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 1327634 WKXPNTKIJCWPDJ-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)C1CCCCC1 1359483 XDCRIVXLMVDIFQ-UHFFFAOYSA-N 432.564 5.263 0 40 IKAB COc1ccccc1C(=O)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359579 GNLYABFCGKJXJU-UHFFFAOYSA-N 432.545 5.058 0 40 IKAB CCCOC(=O)c1cccc(NC(=O)/C=C/c2cc(Br)ccc2OCC)c1 1782317 ONFPYMJKALGIGC-DHZHZOJOSA-N 432.314 5.067 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 2050799 HYSFLNPEXYXZRQ-UHFFFAOYSA-N 436.511 7.079 0 40 IKAB Cc1c(OCc2ccccc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2123105 XHEVVIMSOOISOU-UHFFFAOYSA-N 428.415 5.593 0 40 IKAB biogenic Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(F)cc2)sc1C 2429244 PEMNATBEBHXPAQ-GOSISDBHSA-N 440.883 5.409 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)c3cc(Br)ccc3n2)cc1 2773425 VPBQZIZUHNIILW-MRXNPFEDSA-N 437.381 6.099 0 40 IKAB CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012803 ALAWDGDPEKPIKC-WOJBJXKFSA-N 444.457 5.503 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC(C)=O)cc2)n(Cc2ccccc2)c2ccc(O)cc12 3154758 XOLSCIUVGUAVNO-UHFFFAOYSA-N 429.472 5.164 0 40 IKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)s2)c1 3328159 OISAEVZKSYKJQJ-UHFFFAOYSA-N 444.969 5.506 0 40 IKAB Fc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 3338515 MHRHORZZTFGMGH-UHFFFAOYSA-N 425.916 5.898 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccc(F)c(F)c1F 3349720 JHKHBWBEPJTACP-UHFFFAOYSA-N 434.222 5.421 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)cc1OCC 3765765 FMBNPTPQRBPGNT-VCHYOVAHSA-N 438.332 6.032 0 40 IKAB CCCOc1ccc(Cn2c(COc3cc(C)ccc3C(C)C)nc3ccccc32)cc1 4575334 HFEZWVRUYVVQHM-UHFFFAOYSA-N 428.576 6.884 0 40 IKAB CC(C)(C)c1ccc(OCCn2c(CCC(=O)O)ccc2-c2ccc(Cl)cc2)cc1 6159422 FCFYGMKGLMZOPN-UHFFFAOYSA-N 425.956 6.202 0 40 IKAB CCN(CC)CCC[C@@H](C)Nc1nc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 6382045 HFGYZBLTBPQNLZ-QGZVFWFLSA-N 426.992 5.881 0 40 IKAB CCCC[C@@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 8453356 MOADAZDBPRCZQF-CHWSQXEVSA-N 435.200 5.312 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 8828177 UXOSPPJFMINVEX-MRXNPFEDSA-N 449.913 5.406 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1ccc(F)c(Cl)c1 8836585 RDMWQXJOZIPZHK-UHFFFAOYSA-N 446.869 5.305 0 40 IKAB Cc1ccc(OCCOc2cccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2)cc1C 8983997 CHHYKIUNQXFOOM-UHFFFAOYSA-N 446.572 5.605 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 9059465 NAHSPFVPZUIBTN-HUUCEWRRSA-N 431.483 5.520 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCCc4ccccc4)cc3)C2=O)cc1 9233196 LEOZEWXEGDDBGK-JJIBRWJFSA-N 429.541 5.853 0 40 IKAB CC(C)CN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O 9236596 DLMQLCANYAYHLC-VXLYETTFSA-N 436.360 6.265 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 9282682 JVUZEWLZNGJSAM-HSZRJFAPSA-N 444.918 6.023 0 40 IKAB Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292731 XXRXIRGVKWETJT-FPOVZHCZSA-N 438.756 6.599 0 40 IKAB CC1(C)C(c2ccccc2)=NN(c2ccc(CNC3CCCCC3)cc2)[C@@H]1c1ccccc1 9348112 BVTSNTDWBRSOMT-GDLZYMKVSA-N 437.631 7.101 0 40 IKAB Cc1c(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)oc2ccc(Br)cc12 9419262 REAXHPAIMAKVGM-UHFFFAOYSA-N 438.325 5.400 0 40 IKAB O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)NCc1cccs1 9562441 MIQZFKOZPOQZEI-UHFFFAOYSA-N 427.529 5.146 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)cc1 9602910 GVIYLUMSVWIYLI-NRFANRHFSA-N 448.523 5.102 0 40 IKAB CSc1cccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 9636086 PIVUDBMLEXOITO-UHFFFAOYSA-N 430.554 6.015 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9727134 NTPRSFUORWAJBS-IBGZPJMESA-N 438.574 5.037 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 10120108 XXDCXITVXYUXHH-UHFFFAOYSA-N 446.865 6.723 0 40 IKAB Cc1nc2ccccc2c(=O)n1-c1ccc(F)c(NC(=O)c2cccc(C(F)(F)F)c2)c1 10186546 UVRISFNMURWZDN-UHFFFAOYSA-N 441.384 5.104 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)NCc3ccc(F)cc3)c(C)c2c2occ(C(C)(C)C)c12 11867447 VQHBCIIGHFURDB-UHFFFAOYSA-N 435.495 5.452 0 40 IKAB Cc1cccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)c1 12160716 NGXURAVDXYYDHZ-SXLOBPIMSA-N 448.533 5.084 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 12559852 HYUZMXWPYFYBRQ-GGXMVOPNSA-N 432.523 6.605 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c1 12581569 BFXGLIWVJMDFMX-VWLOTQADSA-N 430.548 5.070 0 40 IKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3N(c4ccccc4)N=NN32)cc1 12612162 CQBOKXANAISWSI-QHCPKHFHSA-N 435.491 5.384 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@H]1c1cccs1 12691214 AQRJGBMONQPKIK-NRFANRHFSA-N 429.545 5.587 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 12887041 HSPVBISNLZVPGB-UHFFFAOYSA-N 432.310 6.942 0 40 IKAB biogenic CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccco2)C(=O)c2ccco2)cc1 13026681 MEHADVLLTWUHQN-XMMPIXPASA-N 434.536 5.439 0 40 IKAB COc1ccc(-c2nc(-c3cccc(Cl)c3)c(-c3ccccc3)[nH]2)cc1Br 13617948 TVQXSQAXQLXCJR-UHFFFAOYSA-N 439.740 6.835 0 40 IKAB CC(C)CCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 13942365 SVAMKUOSTACNRR-AREMUKBSSA-N 428.963 7.080 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CN3CCC[C@H]3c3cccn3C)nc12 14129520 GWSWFZFLHGCHMV-QFIPXVFZSA-N 444.604 5.314 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1C 14405279 XEGCVCJBSBNSHB-UHFFFAOYSA-N 430.508 5.551 0 40 IKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 16693194 PQBBXOUJFAXWTE-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@]32CSC(=O)N2c2ccccc2)cc1 16712038 GYYCHPLVFWVGCJ-WIOPSUGQSA-N 443.528 5.266 0 40 IKAB COC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758032 XZRSHTYDGYAYJM-OAHLLOKOSA-N 437.952 5.703 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1Br 17101034 KMXHBARAMQXPRY-JXMROGBWSA-N 437.120 6.668 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2cccc3ccccc23)cc1 19631729 UKNWNUMZHOXTHX-UHFFFAOYSA-N 440.499 5.024 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)O)c2)cc1 20158232 JWDVPAXNXLMSFD-UHFFFAOYSA-N 444.487 5.508 0 40 IKAB C[C@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20386545 USEVJXUDAHBZHA-GAQQMNMRSA-N 430.342 5.150 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672352 XAYWVPAXYFLXSW-HSZRJFAPSA-N 435.524 5.076 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20797442 XZGKXMRTSYUXER-QFIPXVFZSA-N 449.341 6.271 0 40 IKAB Clc1ccc(Cl)c(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c1 22108109 XOLVFKZCLBFRLH-UHFFFAOYSA-N 446.363 5.111 0 40 IKAB O=C(O)c1cc(/C=C/c2ccc(OC(F)(F)F)cc2)nc2ccc(Br)cc12 22143562 FGVBJYYHLUKJOO-ORCRQEGFSA-N 438.199 5.765 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(N3CCCCC3)c2c1 22574363 SVXXTHYDYNUSNY-UHFFFAOYSA-N 430.957 5.110 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 24613753 BTRPNUNGPHINQZ-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1cn(-c2ccccc2)nc1-c1ccccc1 26780056 TYRLSWQWXVZUQU-UHFFFAOYSA-N 439.519 5.020 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2Cl)cc1OC 28700357 JRFMHOIHXQCDDZ-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 30937889 LBGAWUXGEQAOII-FQEVSTJZSA-N 437.008 6.342 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2OC)CC1=O 31903461 STUUNEFCWIDVDE-HXUWFJFHSA-N 435.568 5.020 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)cc1C 32116591 TYDMKYMWHOYCRX-UHFFFAOYSA-N 428.532 6.427 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)cc1C 33779048 PLOUVLGXTNMXKU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(C)c(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)c1 35645161 BTRGYQMUBOMGTF-OEAKJJBVSA-N 448.975 6.618 0 40 IKAB Cc1nc(Sc2nnc(COc3ccccc3Cl)n2C)c2c3c(sc2n1)CCC3 40020230 ITIKFOOZNQRGLF-UHFFFAOYSA-N 443.985 5.001 0 40 IKAB Cc1sc(=O)n(CC(=O)N(C2CC2)[C@H](C)c2ccc(Cl)cc2)c1-c1ccc(F)cc1 40132930 AJYUPILSOXQAHV-CQSZACIVSA-N 444.959 5.430 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 44900959 RVLMXUBLJWXNBP-UHFFFAOYSA-N 434.923 5.332 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)cc1F 48265098 YGOAYTKVPHLRFK-GFCCVEGCSA-N 425.485 5.207 0 40 IKAB CCc1nnc2c(S(=O)(=O)N(Cc3cccc(C)c3)c3ccc(C(C)C)cc3)cccn12 49405056 AWVGWUPQMYGAMZ-UHFFFAOYSA-N 448.592 5.119 0 40 IKAB O[C@@H](CN1c2ccccc2Sc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21 54297377 GTXIINRRKULIDE-HNNXBMFYSA-N 441.478 5.719 0 40 IKAB C[C@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)c2cc(C(F)(F)F)ccc2S1 71972962 WINMCWSZZGIIIZ-ZDUSSCGKSA-N 449.523 5.684 0 40 IKAB Cc1ncc(CNC2CCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)OCO5)oc12 85879203 NYECSTNEDACFLA-UHFFFAOYSA-N 432.476 5.061 0 40 IKAB biogenic CO[C@H]1CCN(c2ccc(NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)cc2)C1 96381995 ZBWLLLBFJVBIPL-QFIPXVFZSA-N 442.968 5.033 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101144867 FEXTXOKTCVPOFJ-VXNXHJTFSA-N 444.506 5.174 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@@H](C)[C@H]4C[C@H]5CC[C@H]4C5)cc3)ccc12 102312950 XAGCOIJCLBJNPK-JBIZMDSKSA-N 431.532 5.235 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C2=O)cc1 106701803 HGKUCZSTAQGANL-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB C[C@@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219153384 YESLYZMLUDUHPC-GOSISDBHSA-N 448.588 5.037 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 222411631 ZRGWTZNFOMAWSY-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 222648334 NHRWOYZUSOUURW-ZPMCFJSWSA-N 437.653 6.362 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C 223450912 MLEKXFMGWZOUJE-KRWDZBQOSA-N 426.354 5.784 0 40 IKAB CC1(C)CCc2cc(S(=O)(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2O1 223661307 VIHJIXYRDKUBJC-UHFFFAOYSA-N 439.602 5.883 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224215514 JMEQIPJKZLSUKL-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1OC 224241117 OKTYTGOUCDUAKM-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 224340456 XSYRUOXBDATORF-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)c1 224550276 ILTFJHUYIBNGPO-DNQXCXABSA-N 426.545 5.058 0 40 IKAB Cc1cccc2nc(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(Cl)c4)o3)cn12 257219560 DHFZDSDXKQTNEP-NRFANRHFSA-N 434.927 5.242 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C1)CCCC2 257287793 PRNRTQGTORSXNU-OAQYLSRUSA-N 432.539 5.612 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(Cl)c1OCC 408555788 IMJIXSUXHBJDRJ-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)cc1C 408600137 VMFAPMUCHUEEKJ-CIAFOILYSA-N 438.549 5.013 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1Cl 408699437 WVUAYYPIRZEMNG-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(SCc4cccc(F)c4)sc3c1)[C@H]1C=C[C@H]2C1 408751034 VPMFUBLSZPYDKB-FEBSWUBLSA-N 436.533 5.039 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(Br)c1OCc1ccccc1 409119828 RBGAVYFIHCKFRZ-WQRHYEAKSA-N 436.305 5.529 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409176641 UBQFLRLOJXJNIK-ZYAQVELZSA-N 442.990 7.197 0 40 IKAB O=C(COc1c(Cl)cc(CNc2ccccc2Cl)cc1Cl)Nc1ccccc1 409256088 JQTDPAUDEKEVFE-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccccc3)n2-c2ccccc2)c1 409331817 OCNGJMDUUNPKLF-IBGZPJMESA-N 428.561 5.212 0 40 IKAB CC(C(=O)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2)(c1ccccc1)c1ccccc1 1615525538 IZLRTFFDCDRJIB-SANMLTNESA-N 441.571 5.222 0 40 IKAB O=c1c2c3c(sc2nc(SCc2nc4ccccc4[nH]2)n1-c1ccccc1)CCCC3 641455 FNKCMKGUYKKAMW-UHFFFAOYSA-N 444.585 5.495 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CCCC3 664074 AXOWNVOADGXIHH-UHFFFAOYSA-N 439.890 5.990 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 875258 MUMBTHQMKTYUIG-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4cc(C)ccc4s3)c3ccccc3n2)cc1 892391 LCORJDIKNUDLMV-UHFFFAOYSA-N 425.513 6.081 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4nc5ccccc5s4)c23)C1 928912 CGGPPGBVOCFZMA-LLVKDONJSA-N 426.592 5.157 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 1098817 IVYVJNIPKMCLCF-AREMUKBSSA-N 430.573 5.638 0 40 IKAB CCCOc1ccc(Nc2c(C(=O)OCC)cnc3ccc(Oc4ccccc4)cc23)cc1 1783102 BGVRKTPGAOLZAA-UHFFFAOYSA-N 442.515 6.736 0 40 IKAB CCCCCC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1 2062975 FNCVBJTUXAHJGO-UHFFFAOYSA-N 432.314 5.008 0 40 IKAB CCCCCCn1c(N)c(C(=O)N[C@H](C)CCc2ccccc2)c2nc3ccccc3nc21 2413871 XPLUSYFEUCCDPM-LJQANCHMSA-N 443.595 5.498 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccccc3F)nnc2-c2cccc(OC)c2)cc1 2625562 SQORXBOHQUYOQM-UHFFFAOYSA-N 449.507 5.066 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)NC1CCCCCC1 2633498 FJNQQEXELMEOFS-UHFFFAOYSA-N 442.968 5.613 0 40 IKAB Cc1cc(C(F)F)n2ncc(C(=O)Nc3ccc(Br)cc3C(F)(F)F)c2n1 2769927 PEGLBNBWGLHDHO-UHFFFAOYSA-N 449.177 5.009 0 40 IKAB COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@@H](C)CC6)o2)cc1 2790354 QSINOUHYVDUAFC-AWEZNQCLSA-N 446.532 5.311 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cccnc1Sc1ncc(C(F)(F)F)cc1Cl 3135020 QWHSOBAAJOVGQN-UHFFFAOYSA-N 444.265 6.206 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccc(Br)c1 3233045 VOAYRTXRVUOIJW-UHFFFAOYSA-N 440.318 5.435 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CNc2ccc(C(F)(F)F)cc2)cc1 3398467 OLHLTCFJCXEPEK-UHFFFAOYSA-N 443.425 5.017 0 40 IKAB Cc1sc2nc(SCc3nnc(-c4cccs4)o3)n(C3CCCC3)c(=O)c2c1C 3447673 HBXNDDLIIJQAMC-UHFFFAOYSA-N 444.607 5.594 0 40 IKAB aggregator CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1 3643766 QIYBOQUUBVZITG-QGZVFWFLSA-N 437.908 5.171 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 3645197 YKEWWKPTTWZMRI-VVFCZOMOSA-N 432.446 5.902 0 40 IKAB CCc1ccc(C2(c3ccc(CC)cc3)C[C@H]2C(=O)Nc2cccc(Br)c2)cc1 3669294 YSZOZQZBMJUAMX-DEOSSOPVSA-N 448.404 6.519 0 40 IKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1cc(Cl)ccc1Cl 8686339 OJWHWKGOLRHLHT-UHFFFAOYSA-N 426.303 5.561 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1OCC 8823475 UDDQZVWQSZTACU-UHFFFAOYSA-N 429.567 5.189 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 9066597 DXEFUKFKUMSOOP-MGPUTAFESA-N 433.371 5.339 0 40 IKAB CCc1cc2c(CSc3nnc(-c4ccc(Cl)cc4)n3CC)cc(=O)oc2cc1O 9072098 PKJNVIQQHQKFJX-UHFFFAOYSA-N 441.940 5.285 0 40 IKAB COC(=O)c1c(CSc2nnc(-c3ccco3)o2)nc2ccccc2c1-c1ccccc1 9171705 WZOWTJHWTFGART-UHFFFAOYSA-N 443.484 5.624 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 9301952 OMEZZWUWVCNFRC-HEBXWJCKSA-N 441.369 5.908 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Br)C(C)(C)C)c(=O)[nH]c2c1 9307458 ZVWIGRDSRDCHQG-UHFFFAOYSA-N 427.342 5.040 0 40 IKAB COc1cc([C@@H]2CC(C)=NN2c2nc(-c3ccc(Cl)cc3)cs2)cc(OC)c1OC 9477039 HECRMLFDXMYQGX-SFHVURJKSA-N 443.956 5.817 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)c1 9480105 XIVWAVRZTSAQBC-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)c1 9518415 UTBDZYPOJIFTDP-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB CCN(CC)C(=O)CSc1nc(-c2ccc(Cl)cc2)nc2c1Cc1ccccc1O2 9859636 HLTMHXMEWSBLPG-UHFFFAOYSA-N 439.968 5.454 0 40 IKAB C[C@@H]1CCCc2sc3nc(SCC(=O)c4ccccc4)n(-c4ccccc4)c(=O)c3c21 9993250 RKCCFSABTIORMY-MRXNPFEDSA-N 446.597 5.862 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccccc3OC(F)(F)F)c2)cs1 12820834 RQCAQOMJAFZGSI-MDZDMXLPSA-N 434.439 5.581 0 40 IKAB Cc1ccc2c(COC(=O)C3C[C@@H]4CCC[C@H](C3)C43SCCS3)cc(=O)oc2c1C 13015576 CJPXFKIUGGFBFE-JLYLLQBASA-N 444.618 5.456 0 40 IKAB Fc1ccc(-c2cc(C(F)(F)F)n3nc(-c4nc(-c5ccccc5)no4)cc3n2)cc1 13644866 QVBXJCCANUDYQT-UHFFFAOYSA-N 425.345 5.271 0 40 IKAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 13841886 JSYIHILRSIEECH-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1cccc(C)c1 13893929 MWOHXLLTVRMWKY-XKZIYDEJSA-N 447.918 5.971 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C(C)C)ccc1C 14155684 GFTCHNQPSXCIHV-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2)o1 14921064 PKIXBQNEMACLOX-BOPFTXTBSA-N 428.669 5.707 0 40 IKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 15412587 SHBXTTNGXUQLFX-NDEPHWFRSA-N 440.587 6.165 0 40 IKAB CC[C@H](SC1=Nc2ccccc2C2=N[C@@H]([C@@H](C)CC)C(=O)N12)C(=O)Nc1ccccc1C 15783620 HTFJGDBBWXQQCN-JHVJFLLYSA-N 448.592 5.150 0 40 IKAB COc1cc(C(=O)N(C)[C@H](c2cccs2)c2c[nH]c3ccccc23)cc(OC)c1OC 15835568 NXOJMVJWZGEDQJ-QFIPXVFZSA-N 436.533 5.117 0 40 IKAB CCCNCC(=O)Nc1sc2c(c1C(=O)Nc1cccc(C)c1)CC[C@H](C(C)(C)C)C2 15946736 DDJKJUJZGZWOMY-KRWDZBQOSA-N 441.641 5.398 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 16047935 BYQGKLNZXHRURJ-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 16610835 URCLWTOABLJOMI-LJQANCHMSA-N 442.559 7.295 0 40 IKAB Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)NCc3ccccc3)c2=S)c1 16769353 YBQQERQZYUTUOY-UHFFFAOYSA-N 428.561 5.004 0 40 IKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1 16806632 CMSUUYGQQYRTQJ-SFHVURJKSA-N 448.588 5.190 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccc(C)cc2)cc2ccccc2c1Br 17096354 VDYLFBCUMLVCEV-UHFFFAOYSA-N 429.339 5.046 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)c1 17098555 ZWNRCVBESAYULW-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc2c(c1)OCCO2 17201241 OEEVBPFGDRXUTB-UHFFFAOYSA-N 448.569 5.927 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cccc2ccccc12 20152240 IDUBDRZPOSUKIY-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(Cl)cc2)cc1 22276103 KMHHICKGWOMFAO-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C1CCCCC[C@H]1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 24755844 FQIURAOFPYYWKO-QGZVFWFLSA-N 446.370 5.343 0 40 IKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2c(C)cccc2C)cc1 28288738 KSKWTFYFQYTXOY-SANMLTNESA-N 428.532 5.420 0 40 IKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 28288833 ACUBNWODJJCMFD-HHHXNRCGSA-N 428.532 5.420 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nn12 33516128 ILRZQZDAZCEBET-UHFFFAOYSA-N 432.336 5.283 0 40 IKAB Cc1nc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)sc1C(=O)O 33777343 FUBCIUTVAFXUQW-PKWKZTIKSA-N 429.545 5.951 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1F 35144907 UGKPAEMUOVCAHH-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB O=C(Nc1ccc(Br)cc1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833995 XPJSCSSLZUKILL-AWEZNQCLSA-N 442.184 5.607 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44886436 OORBTSVQPTVZAK-QGZVFWFLSA-N 435.951 6.275 0 40 IKAB Clc1ccc(/C=C2\CCCc3c2nn(-c2ccccc2)c3-c2ccc(Cl)cc2)cc1 51330350 LWQKSUOILIJMRF-LVZFUZTISA-N 431.366 7.723 0 40 IKAB CCc1nc2cc(NC(=O)c3cc(Br)c(Br)s3)ccc2o1 58406548 RNTDSEAQSOAHFS-UHFFFAOYSA-N 430.121 5.229 0 40 IKAB O=C(Nc1ccc(NC(=O)N2CCCCCC2)cc1)c1cc(Cl)c2c(c1)OCCCO2 58433166 MLKZGVFOIOAJLX-UHFFFAOYSA-N 443.931 5.162 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 59294073 WEEODRSVXRUMLV-UHFFFAOYSA-N 434.536 5.934 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(NC(=O)C(C)(C)Oc2ccc(C(C)(C)C)cc2)c1 59294332 RDZFJAYCZZBORR-UHFFFAOYSA-N 444.575 6.341 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289863 LCFKGRMOEQNLMV-UHFFFAOYSA-N 430.577 5.615 0 40 IKAB O=C(NCc1ccco1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 67295517 BDUSMMFNHJTSQL-MEFGMAGPSA-N 428.366 5.087 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)nc2)n1 72353417 MKJGLOGOQMCQLT-NRFANRHFSA-N 447.558 5.100 0 40 IKAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3CC(=O)Nc3cccc(Cl)c3Cl)n2)c1 79058823 MENMMSYSDDPWDS-IBGZPJMESA-N 445.350 5.168 0 40 IKAB CCC[C@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 84740447 OABLOLDPOPYWNI-HNNXBMFYSA-N 448.363 5.042 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)C1(c2ccccc2)CCOCC1 96358273 GMVIHDGAIFCTBN-UHFFFAOYSA-N 445.544 5.076 0 40 IKAB COc1cc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)cc(OC)c1OC 102865312 QMBZIZNFBUTWDM-RUZDIDTESA-N 431.513 5.963 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O 103313493 NIFSJXVZMQZQRL-HSWFVFMJSA-N 437.539 5.718 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(Br)c1OC 104364342 GFSZGWGOUKMAIV-UHFFFAOYSA-N 449.370 5.503 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(O)cc2)cc1OCc1ccccc1 107607325 JMNTUIWVMXMEHN-UHFFFAOYSA-N 442.309 5.385 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(F)cc2)n1C 107987215 WLSVDLLSMIJRSQ-SFHVURJKSA-N 432.952 5.027 0 40 IKAB CC(C)c1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 164990250 WXRPYWFWTXFWJM-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 222886816 KSSFFKGUKNRSFL-WOJBJXKFSA-N 441.398 5.017 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 223088702 IZGRXIVCFNYWJT-DHIUTWEWSA-N 437.012 5.831 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ncc(Cl)nc1Cl 223997533 KMIMOVDOXZCBIG-UHFFFAOYSA-N 429.804 5.625 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 224121805 OUPWOSUUMDUFIC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(Cl)cc1 224157874 BUMWDUANKFFEHW-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 224183428 FFZVVKIHUMQEQA-NRFANRHFSA-N 433.017 5.074 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)cc1 224537245 CXSUQSVKJIGZDU-SFHVURJKSA-N 440.590 5.056 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cc(C)cc(C)c1C 224610186 QLXUFGXNVPRRLT-UHFFFAOYSA-N 425.475 6.120 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224680863 JPBNWBUTIKPNNF-INIZCTEOSA-N 443.971 6.661 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926535 UJDLIUISMZBOSM-UHFFFAOYSA-N 426.369 6.419 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 224975448 IAWOSPVZJKZRCK-UHFFFAOYSA-N 425.915 6.419 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225242293 UFTZZJPTZSRART-WOJBJXKFSA-N 434.555 5.244 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 225578962 HAECEYDVBLMFBF-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225742985 LYQPMEZCNDLOOO-HSZRJFAPSA-N 437.511 5.516 0 40 IKAB Cc1ccccc1[C@@H](C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225754342 BVHDTGHDRMILLD-LJQANCHMSA-N 430.617 6.571 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@H]2Cc2ccccc2)nc1COc1ccccc1Cl 257293667 QQPWHXPMFXMYPS-SFHVURJKSA-N 437.927 5.009 0 40 IKAB S=C(NCc1ccco1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408572103 FFONYVPKPMSHQK-UHFFFAOYSA-N 426.752 6.284 0 40 IKAB CCOc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1 408578528 YKQJBAAPXFDOTH-UHFFFAOYSA-N 425.981 5.826 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1C 408596287 RAUBSAVOGKSMAO-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408681901 VQMOZZFJJBYGTN-VWLOTQADSA-N 448.994 5.431 0 40 IKAB CCOc1ccc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 408782485 JDJDIZXFKITPHQ-SQWSFHKJSA-N 433.371 5.010 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)c(C)c1 408923898 HWGAKYDECBECKT-SFHVURJKSA-N 440.590 5.224 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1cccc(Cl)c1 409100119 SMQUGGAIRGGQDD-BOPFTXTBSA-N 443.684 5.460 0 40 IKAB Cc1ccccc1NCc1c(OCc2ccc(Br)cc2)ccc2ccccc12 409113422 ATVQWLIVESSTTP-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)c(OCc2ccccc2Cl)c(Cl)c1 409116620 OHQOTBUQBFXBNB-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)c(C)c1 409140454 DTBKEOMMGQZKAQ-FYJGNVAPSA-N 439.533 5.658 0 40 IKAB COc1cc(OC)cc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)c1 409197469 GFQHMAXHZSVWIF-RQZHXJHFSA-N 444.556 5.487 0 40 IKAB CSc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409351988 VJAWSZJJPUTONO-HHHXNRCGSA-N 436.580 6.774 0 40 IKAB CN1CCCCCCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582075 KJZSMIGBEJMLML-NOZRDPDXSA-N 434.580 5.165 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc2ccccc12 684299 BGOBUGJHDQIVRJ-QHCPKHFHSA-N 428.517 5.248 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(C(=O)c2ccccn2)c2ccc(O)cc2)CCCCC1 792645 DMBIRASWSCQRPG-UHFFFAOYSA-N 443.547 5.392 0 40 IKAB Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccccc1Cl 930657 ODEZMQRKJAJTKD-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB O=C1O[C@@H](c2ccc3c(c2)OCO3)N(C(=O)c2ccc(Cl)c(Cl)c2)c2ccccc21 996284 BRUMUGYSRIAMRC-NRFANRHFSA-N 442.254 5.238 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1076379 NMDJVHPNSFOFAP-CQMIANAGSA-N 439.555 5.505 0 40 IKAB O=c1nc(NCc2ccco2)ccn1-c1nc(-c2ccccc2)sc1-c1ccccc1 1094790 ZMXWHRZOAJGFPR-UHFFFAOYSA-N 426.501 5.228 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 1099334 NACOVCZSCBSBCX-UHFFFAOYSA-N 442.540 5.334 0 40 IKAB CC1=CC(C)(C)N(C(=O)Nc2ccccc2)c2ccc(OC(=O)Nc3ccccc3)cc21 1101577 GIRITPKDKMKXPL-UHFFFAOYSA-N 427.504 6.532 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 2067692 UMNUYDFMCKTVJG-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB O=c1oc(-c2cccc(-c3nc4cc(Cl)ccc4c(=O)o3)c2)nc2cc(Cl)ccc12 2190337 HBCPCIUWIWTPOK-UHFFFAOYSA-N 437.238 5.330 0 40 IKAB Clc1cc(Br)ccc1-n1c(-c2cccs2)nc2nc3ccccc3nc21 2225842 GYFXTGDHSCDVOI-UHFFFAOYSA-N 441.741 6.113 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 2326723 NZCUSVHCUOUDAH-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB COc1ccc(C(=O)N2c3ccc(OC(=O)c4cccc(F)c4)cc3C(C)=CC2(C)C)cc1 2358578 FTZBEQHBIJBRIJ-UHFFFAOYSA-N 445.490 5.896 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1C 2447452 SVZBWJQDAYALME-SFHVURJKSA-N 443.595 5.717 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(Cl)cc1Cl)Nc1ccccc1-2 2742983 QOUCQXFPQZKCTL-IBGZPJMESA-N 447.391 6.631 0 40 IKAB CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 3006516 ZZFPVPOIEGSIPU-XMMPIXPASA-N 446.547 5.477 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1OCc1ccc(Cl)cc1Cl 3134861 WBOXJPWCAFJIFP-UHFFFAOYSA-N 446.277 6.905 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1ccccc1C(C)C 3253243 RUNZJYILWBEJSD-UHFFFAOYSA-N 438.527 6.129 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 3303370 GOWKIXZZVZDUNT-LIRRHRJNSA-N 428.508 5.345 0 40 IKAB Cc1sc2ncnc(SCc3nnc(-c4ccccc4Br)o3)c2c1C 3495345 LZLKZVSVLPNJRO-UHFFFAOYSA-N 433.356 5.413 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 3846379 VPVSCDLLMXELSN-HATYCHJRSA-N 446.672 6.721 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)cc1C 6280403 XPLKUQZFVIMIJO-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOC(=O)/C(=C\OCCOc1cc(Cl)c(Cl)cc1Cl)Oc1ccccc1 8400999 LOEAMVINQZWQCO-LDADJPATSA-N 431.699 5.526 0 40 IKAB COc1ccc([C@H]2NC(=S)N(c3ccccc3)C(C)=C2C(=O)Nc2ccccc2)cc1 8671876 QJJYCTQDDXOBRW-HSZRJFAPSA-N 429.545 5.044 0 40 IKAB COc1ccc(-c2cc(NC(=O)CSc3ncnc4sccc34)ccc2OC)cc1 8755220 GHVBJOSGPCQBTL-UHFFFAOYSA-N 437.546 5.106 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)o2)cc1 8861738 PMRXKUROROHELJ-HSZRJFAPSA-N 441.512 5.943 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 9307101 PWMVKSMWFUOOTF-SFHVURJKSA-N 443.576 5.574 0 40 IKAB O=C1Cc2cc(-c3csc(N4N=C(c5cccs5)C[C@H]4c4ccco4)n3)ccc2N1 9413506 STDYRIOQNUKDME-SFHVURJKSA-N 432.530 5.315 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)c2ccccc2Br)cc1 9496072 TUSMUUJJVLUXNA-ZDUSSCGKSA-N 429.314 5.124 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(C)c(C)cc4o3)c2)c1 9600595 DCUYESBMVQQRKB-UHFFFAOYSA-N 434.923 6.806 0 40 IKAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCc2sccc2[C@H]1c1cccs1 9683009 BJGMAXMXCJTKLC-YJJPMGAVSA-N 425.966 5.298 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H](c2nc3ccccc3s2)C1 9783634 WNBCFIHAJFTWFS-HNNXBMFYSA-N 439.993 6.093 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3c(C)nn(Cc4ccccc4)c3C)ccc2OC)cc1 9799783 WQRULXMDUPMDEG-UHFFFAOYSA-N 441.531 5.485 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(Cl)c4)cc3C[C@H]2C)cc1 10326651 ZHOKBMNKPPXUSF-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12524923 UYOQCJXYULZTKM-FQEVSTJZSA-N 439.987 5.211 0 40 IKAB CN(c1ccccc1NC(=O)C(F)(F)F)c1cc(-c2ccccc2)nn1-c1ccccc1 12542769 URFKTVBAEPIZCB-UHFFFAOYSA-N 436.437 5.808 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1cc(Cl)cc(Cl)c1 12573900 SADIXYAMZWCJGI-UHFFFAOYSA-N 428.344 6.063 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1 12603453 JPHIWKGWRVHNSL-UHFFFAOYSA-N 438.556 5.859 0 40 IKAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 13501159 ZQZXLQCLQKDLIS-DEOSSOPVSA-N 448.615 5.224 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1cccc(Cl)c1 13509824 GQCDWKQRXVDCMN-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccccc1F 13561453 QUMSPGBJRMVKPV-QFIPXVFZSA-N 440.515 5.473 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)c1 13940246 XHMAVDINNUVQLS-UHFFFAOYSA-N 426.900 5.635 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 14272552 OKMZLEDPVRSBPO-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 14404993 AEINQQOQHBZYHI-BUHFOSPRSA-N 442.544 5.455 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1 14580391 OUXFDWGXUBFCDI-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)Cc3ccc(C)cc3)c3ccccc32)cc1 15680822 HPPTXHPFRNTXAU-UHFFFAOYSA-N 446.572 5.125 0 40 IKAB FC(F)(F)c1ccc(-c2nc(C3CC3)ncc2-c2nnnn2-c2ccc(Cl)cc2)cc1 16429338 MSENMALMFVPJBE-UHFFFAOYSA-N 442.832 5.336 0 40 IKAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cc(C)cc(C)c3)n2)c1 16846484 GZGKJGLCPURGOJ-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB O=C1C[C@H](C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)C2(CCCCC2)O1 16957136 ZQWFOXSVWCJMRQ-JOCHJYFZSA-N 442.515 5.297 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17099436 WSWBONYBVHWBOQ-UHFFFAOYSA-N 435.354 7.332 0 40 IKAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19082274 APXGMXGYVLNWBD-ISARSNTHSA-N 438.538 5.279 0 40 IKAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)o1 19559346 BDVFEOSWCHWUAC-HNNXBMFYSA-N 449.477 5.018 0 40 IKAB Cc1ccc(N2CCN(C[C@@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl 19908858 BOTZTPZHUIUQLN-HXUWFJFHSA-N 445.390 5.017 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCc1ccccc1F)CO3 20412256 KZDOTWWAJFXLPD-UHFFFAOYSA-N 443.518 5.534 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2Cl)cc1 20492128 SWSRTCOBUUFVMC-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 20841671 QVDGXRZENJEJRK-SEXKYXSUSA-N 449.186 5.583 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(Cl)c2)c2ccccc2)c1C 26770782 ILLISAUVLKWISO-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB COc1ccc(Nc2nc(Nc3cccc(Cl)c3)nc(N3CCCC3)n2)cc1Cl 27643206 BZTBMFFXYWQBTM-UHFFFAOYSA-N 431.327 5.274 0 40 IKAB COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(OC)c1 33739582 AHGJCIFSVSECLQ-UHFFFAOYSA-N 441.361 5.352 0 40 IKAB CCc1ccccc1NC(=O)C[C@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 39964001 YLHSKGQWJLPHHJ-DEOSSOPVSA-N 438.531 5.024 0 40 IKAB Fc1ccc(CSc2ncc(-c3ccc(Br)cc3)n2-c2ccccc2)cc1 44086145 ITULNPVBFGCUCD-UHFFFAOYSA-N 439.353 6.733 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1)N1CCCC1 44087910 PYRZKTGVXIDHGZ-UHFFFAOYSA-N 447.482 5.152 0 40 IKAB O=C(NCCCc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44906255 GVYFIGDKVDOWFT-UHFFFAOYSA-N 439.814 5.608 0 40 IKAB CSCC[C@@H](NC(=O)c1ccc(COc2ccc(F)cc2)o1)c1nc2ccccc2[nH]1 49632643 GOFFXPATGGEBDZ-HXUWFJFHSA-N 439.512 5.098 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(C)cc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 51329990 LGKRFJCIXFSLEJ-AREMUKBSSA-N 425.576 5.894 0 40 IKAB O=c1c2ccccc2c(-c2nc(-c3ccc(Br)cc3)no2)cn1-c1ccccc1 64664182 PSZNEKZZUKNDJY-UHFFFAOYSA-N 444.288 5.470 0 40 IKAB COc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1F 67259592 VNFLJHCISDJUTF-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCCC1 72215680 WTISKGQPFOPZLX-FQEVSTJZSA-N 445.604 6.228 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(O)=C2[C@@H]1c1ccco1 100429430 CLGJGVPRZABLNA-MYUZEXMDSA-N 442.515 6.248 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 100558490 JQJMUQPBYFANTJ-DNVJHFABSA-N 429.318 6.448 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@H]2CC)cc1 102674131 LSVVQGOVNUXOAF-OEQAEZTDSA-N 426.604 7.258 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(C)cc4)C3=O)cc2)cc1 106708033 COODSAXXBNQBRL-IWIPYMOSSA-N 429.541 6.119 0 40 IKAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 107593272 YYVLFRJLEDAKPJ-UHFFFAOYSA-N 433.744 6.127 0 40 IKAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 216432705 ORAYNFLXSIQDTN-SFHVURJKSA-N 431.532 5.630 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222820465 PFEVHIXEYWGEJK-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223197452 ZLOQOHZEXCUAIW-SANMLTNESA-N 446.566 5.191 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1Cl 223330903 JCXWTQJGHXEGFX-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 223376320 CPOUEFDIZMEHGT-RPWUZVMVSA-N 444.991 5.698 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(=O)OC)ccc3Cl)ccc21 223843359 DIJOYJCBJFDMRX-UHFFFAOYSA-N 442.924 5.055 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223960349 NOFKITJUDFEZCI-HRAATJIYSA-N 435.395 5.258 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COc1ccccc1 224087861 WJVWLWKYFAYPAZ-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB CSc1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224334775 HWEQJWNQVVTMPB-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224563012 YVHXPLFCXGCCSZ-UHFFFAOYSA-N 437.967 6.371 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 224924221 YYUFEYLFJCFWTR-KRWDZBQOSA-N 430.479 6.037 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225100096 LXOXRQUEVIRSHO-JOCHJYFZSA-N 447.044 5.546 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225346623 PMTIAJDYMNITIV-CABCVRRESA-N 439.358 5.007 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)c(OC)c1 225936107 MRTGKMYIZMZAQA-UHFFFAOYSA-N 437.539 5.871 0 40 IKAB COC(=O)c1cn(C(=O)c2ccc(-c3ccc(F)cc3Br)o2)c2ccccc12 226769512 UJRCYFRPNDQHLI-UHFFFAOYSA-N 442.240 5.278 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CCC2CCCC2)CC1 257252013 JTFNOQFUDPYLMM-UHFFFAOYSA-N 446.635 5.530 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]([C@H](C)[C@H](O)CCC(C)C)CC[C@H]32)C1 257350322 WICQHKDZHVVRAU-JXHOIMMYSA-N 444.700 6.930 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408573904 FBJBFQRKYOKLTF-CQSZACIVSA-N 430.356 6.344 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408645536 UXSSYYKLMWYZRC-AWEZNQCLSA-N 432.829 5.504 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc3ccccc23)cc1 409174336 SIMMPUQKHPDAKV-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccc(Cl)cc1 409179439 NNTAHJSKMVGQQG-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2Cl)C1=O)c1ccc(Cl)cc1 409346072 MIOFNRLGDZSGRJ-OVCLIPMQSA-N 426.708 5.566 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409377506 HOIKXBBDTOVXFW-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB CCN1CCCCCCN(C(=O)CC2CCCC2)[C@@H](C(C)C)COc2ccccc2C1=O 643583617 DDLFWYUOZUWCAW-XMMPIXPASA-N 442.644 5.535 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)o1 668402 OHGXUDIUHVLGDY-UHFFFAOYSA-N 434.311 5.508 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc2ccccc12 684300 BGOBUGJHDQIVRJ-HSZRJFAPSA-N 428.517 5.248 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@H]1C 901300 LKOROUZPJCWFPJ-HUUCEWRRSA-N 443.494 5.621 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(OC)cc1 1005902 QWNHRPWDVJJMDS-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB CCCc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1Cc1ccccc1Cl 1372472 UIYFMIDBOXNUJF-UHFFFAOYSA-N 427.932 5.398 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 1392010 IDORJFJJBZIYQI-UHFFFAOYSA-N 444.638 5.559 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Oc1cc2ccccc2cc1C(=O)Nc1ccccc1 1741788 NTFBMXDGOLBPEE-UHFFFAOYSA-N 446.890 6.365 0 40 IKAB Cc1c(Cl)cccc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 1774329 WPSYVZVZMWBRSZ-INIZCTEOSA-N 433.766 6.536 0 40 IKAB COc1ccc(Cl)c2c(O)c(CN(Cc3ccccc3)Cc3ccccc3)c(C)nc12 1788667 QWQZFJDXULKAFO-UHFFFAOYSA-N 432.951 6.113 0 40 IKAB CCCCn1c(SCc2ccc(Cl)c(Cl)c2)nc2sc3c(c2c1=O)CCC3 1825896 UHRUVUAAWIFZRK-UHFFFAOYSA-N 439.433 6.346 0 40 IKAB CCCOc1ccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1 1888943 DTCGDKJRWQTMLY-UHFFFAOYSA-N 432.523 7.545 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc34)c2)c1 2069734 WLLYOBINTAPFEG-UHFFFAOYSA-N 442.946 6.544 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3C)c3c(C)oc(C)c3c(=O)c2)cc1 2103730 LWWGKGDXKCEYBN-UHFFFAOYSA-N 428.484 6.003 0 40 IKAB biogenic CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1cccc(Cl)c1 2140691 SXHHCXKBUNYPGK-UHFFFAOYSA-N 448.902 6.026 0 40 IKAB biogenic CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2179134 CSALLLNRQBMAER-UHFFFAOYSA-N 428.315 6.021 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=O)oc2c1 2206935 MAXOWDNUBPDAFN-UHFFFAOYSA-N 444.512 5.536 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2234855 NHDYCZOJNDQFQZ-IBGZPJMESA-N 440.421 6.114 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cc2ccccc2o1 2248018 WIFFOSBVQBXLEW-UHFFFAOYSA-N 431.448 5.507 0 40 IKAB CC1=CC(C)(C)N(C(=O)N(C(=O)Nc2ccccc2)c2ccccc2)c2c(C)cc(C)cc21 2290516 YSSUCLXSANMOEY-UHFFFAOYSA-N 439.559 7.164 0 40 IKAB CC(C)c1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2299228 ISNQCVNBUHBWEB-UHFFFAOYSA-N 449.645 6.549 0 40 IKAB Cc1ccccc1N1CCN(c2c3c(nc4c(-c5ccccc5)c(C)nn24)CCCC3)CC1 2330053 QHBTZOVRRAQCOM-UHFFFAOYSA-N 437.591 5.219 0 40 IKAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CCN21 2395353 ACNIREGNKACZPT-HPXJJZNJSA-N 438.571 5.601 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 2617692 LWIZWBVIKTUYOJ-UHFFFAOYSA-N 434.417 6.363 0 40 IKAB CCOc1cc(/C=C/C(=O)Nc2ccc3nc(C)sc3c2)ccc1OCc1ccccc1 2652541 MNUKRILGEHHXJM-GXDHUFHOSA-N 444.556 6.234 0 40 IKAB Cc1cc(C(=O)CSc2cc(Cl)ccc2Cl)c(C)n1Cc1ccc2c(c1)OCO2 2660149 DUPKDFBPTFOZIQ-UHFFFAOYSA-N 448.371 6.164 0 40 IKAB CCOc1ccc(OCc2ccc(C(=O)N[C@@H](CC)c3ccc(C(C)C)cc3)cc2)cc1 2739470 ZUWGYHUQWQWSHB-MHZLTWQESA-N 431.576 6.669 0 40 IKAB CCc1c(C)sc2ncn3nc(-c4ccc(COc5ccc6c(c5)CCC6)o4)nc3c12 2808836 RMRVASYGSFXAOF-UHFFFAOYSA-N 430.533 5.538 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl 3294869 KMOVLGCKSKDROI-NRFANRHFSA-N 435.936 5.764 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C1CCCCC1 3328519 GOCKQRCRYKRLHF-UHFFFAOYSA-N 436.383 7.189 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(OCC)cc3)cc2)cc1 4291145 CHZXSIRTGPSDPT-UHFFFAOYSA-N 446.547 5.698 0 40 IKAB OC(c1ccccc1)(c1ccccc1)c1ccccc1C(c1ccccc1)c1ccccc1 4963501 AXZLVWRDECEFJY-UHFFFAOYSA-N 426.559 7.151 0 40 IKAB CCCCc1cc(=O)oc2cc(OCC(=O)C34CC5CC(CC(C5)C3)C4)c(Cl)cc12 4986064 WWOZXFSEGKBXFA-UHFFFAOYSA-N 428.956 5.953 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 5949433 OGTIIHKQLBAXFL-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 6630111 GYCXQRSRKZRSHL-UHFFFAOYSA-N 427.552 5.444 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1ccc(Cl)cc1 6878445 CXOVVJFOOHAZIJ-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Br)cc1 8386762 SUJATHMRCGUZGF-JOCHJYFZSA-N 441.756 6.467 0 40 IKAB Cc1ccccc1Cn1c(=O)n(-c2ccc(Cl)cc2)c(=O)c2c3c(sc21)CCCC3 8593547 ODAIVQFYZPCLLI-UHFFFAOYSA-N 436.964 5.103 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)c1 8686283 MMKPVKCGCNPSQC-UHFFFAOYSA-N 443.359 5.767 0 40 IKAB aggregator COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3cccs3)C[C@H]21 8717753 ARGHYGFGSNWPKJ-JOCHJYFZSA-N 445.588 5.293 0 40 IKAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccc(-c2cccc(Cl)c2)o1 8741958 SWKOGHAUMVJPQW-UHFFFAOYSA-N 429.328 6.553 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(-c4ccccc4)cc3)o2)c1 8895735 ODTKYSLZTDWHTL-UHFFFAOYSA-N 431.517 5.355 0 40 IKAB CC(=O)Nc1cccc(NC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)c1 8939045 KJUJFRFDUMYZDE-UHFFFAOYSA-N 431.970 5.228 0 40 IKAB CC[C@@H](c1nnc(S[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C 9056363 OYNSRXLWKZWCDD-JPYJTQIMSA-N 448.636 5.191 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@@H]2CCCC[C@H]12 9059394 QANJKHRCIWLGFM-XAVVYEHISA-N 446.517 5.584 0 40 IKAB Cc1ccc(SCCC(=O)OCc2cc(=O)oc3cc(Br)ccc23)cc1 9119627 CMVBQTGGAYOUCG-UHFFFAOYSA-N 433.323 5.090 0 40 IKAB CCc1cccc2c(/C=C3/SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c[nH]c12 9233368 WPMVZNNUWONCRZ-GIJQJNRQSA-N 431.344 6.274 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(C4CCCCC4)o3)cs2)cc1OC 9244886 PRWWDNLWQUTENQ-UHFFFAOYSA-N 431.583 5.940 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 9358491 ODJVINQUELVSDC-NRFANRHFSA-N 430.379 5.739 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 9371667 CDWCIJCYXBABAZ-JPYJTQIMSA-N 433.479 5.002 0 40 IKAB Cc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 9461279 QCGDDVOYPSATIG-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)c(Cl)c1 9461815 HUKUYZMGWQOHOH-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB CC(C)CCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9471550 HAIRFBIJWLTXRF-UHFFFAOYSA-N 432.593 6.216 0 40 IKAB Cn1ccnc1S[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 9642457 KKKDAFALEXSFMR-INIZCTEOSA-N 425.863 5.564 0 40 IKAB Cc1cc2sc(NC(=O)c3cccc(I)c3)nc2cc1Cl 9667268 GTRSBISCQTXIBP-UHFFFAOYSA-N 428.682 5.115 0 40 IKAB O=C(N[C@H]1CCSc2ccccc21)c1ccccc1CSc1nc2ccccc2o1 9671523 ZCLVRZXGHAWLLZ-IBGZPJMESA-N 432.570 6.087 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2c1C 9791743 PYSGNVOOKQDBFC-UHFFFAOYSA-N 427.551 5.080 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)CCc3ccccc3)n2)cc1 9847127 ULFBMIOHLYZLJC-UHFFFAOYSA-N 439.563 5.392 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cccc(OCc2ccccc2)c1 10120032 ZPKJBOQMIMDCMW-UHFFFAOYSA-N 434.495 6.250 0 40 IKAB CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 11614566 AUXOQMGCKYPVMW-JOCHJYFZSA-N 446.890 5.298 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12600517 GZYVZMWMBUTUMQ-MVWRLGRASA-N 431.356 5.308 0 40 IKAB CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1ccc(Cl)cc1Cl)C(=O)C(C)(C)O2 12875244 YRAGRSWHQCMTKY-UHFFFAOYSA-N 435.351 5.226 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@@H]32)C1 12878554 MCVIVMYFDOKJSH-IOYLNEAKSA-N 438.608 6.186 0 40 IKAB biogenic CC(C)CC(=O)Nc1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 12919244 BJGQQEBQNUNVKH-UHFFFAOYSA-N 439.519 5.171 0 40 IKAB CCOc1ccccc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13027047 FZLUQXUXNUXNJR-XMMPIXPASA-N 432.520 5.125 0 40 IKAB Cc1ccc2nc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)sc2c1 13029271 ZSEDZCQJTNGUCJ-UHFFFAOYSA-N 437.594 5.081 0 40 IKAB O=C(COC(=O)c1ccc(Oc2ccccc2)cc1)NCc1ccc(Cl)cc1Cl 13149497 WIHBIUJEKANNIK-UHFFFAOYSA-N 430.287 5.259 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)COc3ccc(Cl)cc3)c2)cc1 13628112 DIFYOBMVWZBJLT-UHFFFAOYSA-N 436.939 5.907 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccccc1CCc1ccccc1 13684943 FYYWSNQVALEZIQ-UHFFFAOYSA-N 434.539 5.654 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(F)cc1 14081548 VLHJNDKIJLPAEH-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 14427248 WFMRNJPBKBCUMW-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 15906566 UUENVKHVYBAYBA-YBJAQSGZSA-N 440.518 6.028 0 40 IKAB CC(C)C[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 15987172 NQFDGJSUAALRNH-OAHLLOKOSA-N 429.945 5.766 0 40 IKAB Cc1ccc(C(=O)C[C@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1C 16311922 YOYGQQHSMZPWOZ-QFIPXVFZSA-N 449.830 8.370 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 17095938 AGDXCDACWLMBDR-SFHVURJKSA-N 428.532 6.643 0 40 IKAB COc1ccc2cc(C(=O)N3CC[C@@H](c4nc(C5CCC5)n5c(C)csc45)C3)[nH]c2c1 19240528 NMWRVAXSTITCIH-QGZVFWFLSA-N 434.565 5.091 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)cc1 19928782 FYZFQFXNOLJCJZ-UHFFFAOYSA-N 425.945 5.765 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccc(F)cc5)nc4c3)o2)cc1Cl 20610405 SNOCSGZYKHGWRD-UHFFFAOYSA-N 446.869 6.034 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(SC)c1 20894331 DBWKHPCGQUELHP-UHFFFAOYSA-N 429.545 5.581 0 40 IKAB Cc1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1Cl 22520026 LGRUDJMEEWILOD-UHFFFAOYSA-N 442.950 5.554 0 40 IKAB S=c1n(CCc2ccccc2)c2ccccc2n1CN1CC=C(c2ccccc2)CC1 25286250 GMARCDIDTNSUQE-UHFFFAOYSA-N 425.601 6.162 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 27124129 FFULVVWFICCHSS-HNNXBMFYSA-N 441.603 5.616 0 40 IKAB CCn1c(SCc2cc(-c3ccccc3)no2)nc2ccc(Br)cc2c1=O 29874341 JXQUIQLUPWRUSF-UHFFFAOYSA-N 442.338 5.126 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)ccc21 30850487 YAJYBYJRNQEQSX-UHFFFAOYSA-N 443.399 6.993 0 40 IKAB CCN(CC)[C@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 32622637 ZIRHHRQTORDJAU-HXUWFJFHSA-N 425.598 5.514 0 40 IKAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1csc(COc2ccc(F)cc2)n1 32753562 JUWHHUNNVMPZMG-UHFFFAOYSA-N 440.418 5.032 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264343 PFCBVJISKQAPOA-HNNXBMFYSA-N 448.906 5.570 0 40 IKAB Clc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 36056436 AMGADLQGZRNVQK-PDJLYPKISA-N 433.382 7.794 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCC2)N=C1c1cccs1 46022378 JHHNVTAFNQCBCQ-UHFFFAOYSA-N 448.013 5.644 0 40 IKAB O=C1c2ccccc2N[C@@]2(C(=O)Nc3c(Cl)cccc32)N1c1ccc(F)c(Cl)c1 49947071 VMHHICLRUGAECL-OAQYLSRUSA-N 428.250 5.010 0 40 IKAB Cc1ccc(-c2nnco2)cc1NC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 58393575 GMVTVAVHPIABNW-UHFFFAOYSA-N 444.438 5.748 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C 67217167 AGEDERYYOMBJIQ-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB C=Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)cc1 67260280 YSOPZADCDYKOED-UHFFFAOYSA-N 440.528 5.483 0 40 IKAB Cc1c(-c2ccccc2)sc2ncn(C[C@H](O)c3ccc(C(F)(F)F)cc3)c(=O)c12 71949393 RFLCZNPSGKVWFK-KRWDZBQOSA-N 430.451 5.186 0 40 IKAB CCN([C@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c2ncccc12 72313058 ARIJWHXKFDLHEM-RUZDIDTESA-N 431.561 5.047 0 40 IKAB O=C(c1ccc2c(c1)CCCC2)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 72371612 RRCJLJRHAYZUNZ-NRFANRHFSA-N 449.982 5.193 0 40 IKAB CCc1nnc(-c2ccc(NC(=O)c3cc(-c4cc(C)oc4C)nc4onc(C)c34)cc2)o1 78947440 ZORFTEGFYHPROB-UHFFFAOYSA-N 443.463 5.273 0 40 IKAB Cc1ccc(C)n1-c1nc(CC(=O)Nc2cccc(C3SCCCS3)c2)cs1 84191501 GVFBGJHDKJJXPO-UHFFFAOYSA-N 429.636 5.601 0 40 IKAB COc1cccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 97165863 FKPJBFHDESJJLJ-IBGZPJMESA-N 449.869 5.620 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222848661 IPDLSFLSEYSCRO-UXHICEINSA-N 432.376 6.029 0 40 IKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2O1 223009907 JHASVLFDJZPCSS-IBGZPJMESA-N 448.426 5.881 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223363195 BLVQXFDAQXQVEO-OAQYLSRUSA-N 439.943 5.085 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223749629 JTIYZMSXZJGTOR-JOCHJYFZSA-N 447.044 5.546 0 40 IKAB Cc1cc(Br)cnc1NC(=S)NCc1ccc(-c2ccc(Cl)cc2)o1 223914840 WLWQWORZBKDWSZ-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224065975 PTRKPGBJKHLWTA-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224309258 KDBNOEWETFOWCV-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224310362 LSZZPSADRDLSKF-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224359853 AGCWCNFGRILBDD-RPBOFIJWSA-N 439.588 5.568 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1cccc2ccccc12 224631676 LWESPGUJFNBXMR-UHFFFAOYSA-N 433.454 6.348 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224734327 SXRSCKGSEGGVHD-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1Cl 225009658 KPEJAPZSBBGKCJ-YADHBBJMSA-N 440.975 5.580 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225096876 WKILLZBSVMRZTM-RTWAWAEBSA-N 426.626 5.118 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 225507064 SADKKZDWSWJVFO-RUZDIDTESA-N 429.589 5.506 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)cc1F 225687122 DEVPNRVIJMJGJL-INIZCTEOSA-N 439.350 5.186 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225689114 XVXXZPKYCHOAPG-GOSISDBHSA-N 429.973 5.952 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 225768911 CSEVQZIPJNIUMD-HXUWFJFHSA-N 431.576 6.866 0 40 IKAB CCCCOc1ccc(NC(=O)C(CC(C)C)(CC(C)C)OCCC)c2cccnc12 225906912 QAYFATQCLCSJDO-UHFFFAOYSA-N 428.617 6.610 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4cccc(C(=O)O)c4)C[C@H]3C[C@@H]21 257202961 AOAFXEMCQCJBLD-SPAWWWTRSA-N 441.955 5.178 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4ccc5ccncc5c4)CC3)CCOCC2)c1 257222241 DSNMGIFKAPCWDD-QHCPKHFHSA-N 442.603 5.463 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(Br)c3)sc2n1 408625646 XSRSJIHSWKXPBY-UHFFFAOYSA-N 449.399 5.028 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(F)cc1 408699231 SICAVSKEBZBVIC-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(C)C 409108716 XHKZXHLDZQMFEZ-UHFFFAOYSA-N 428.989 5.548 0 40 IKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409197112 WEWUZPIKDQILOB-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB CCCc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Cl)c(Cl)c1 409198800 LBNGPJYMXYBSIH-GOSISDBHSA-N 449.403 6.522 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409350210 RDRPAMBIINBDDD-CIAFOILYSA-N 437.904 5.421 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2cccc(F)c2)c1)N[C@@H](CN1CCCC1)c1ccccc1 511528555 IGROQONWSMPBAN-DEOSSOPVSA-N 446.526 5.037 0 40 IKAB CC[C@H](C)c1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@H](C)COC 584906193 KVYSAROQHICKLR-FUHWJXTLSA-N 425.598 5.545 0 40 IKAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 675008102 AFSBBFJQDOZFSL-SFHVURJKSA-N 433.554 5.564 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)CSc2nc(C(C)C)nc3ccccc23)c1 1342924 QQJCVICTRALVCU-UHFFFAOYSA-N 425.554 5.281 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccccc1 1816596 JRAPHHUAABOYRW-SANMLTNESA-N 445.603 6.443 0 40 IKAB biogenic FC(F)(F)Oc1ccc(Nc2nc(NCc3ccccc3)nc(N3CCCCC3)n2)cc1 2192062 ROQOZNZXMHPIGP-UHFFFAOYSA-N 444.461 5.116 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 2380497 HKMHFBUNLDMBKS-INIZCTEOSA-N 428.561 6.016 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1-c1nc(CSc2cccc[n+]2[O-])co1 2387792 YSWPMGJIIPZEJY-UHFFFAOYSA-N 434.304 5.538 0 40 IKAB CCc1nc(SCC(=O)Nc2cc(Cl)ccc2Cl)c2oc3ccccc3c2n1 2448851 FRYMHDPZKZJDNI-UHFFFAOYSA-N 432.332 5.976 0 40 IKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2c(Br)cc(Cl)cc12 2581712 OASZOVWWFAPOPN-UHFFFAOYSA-N 428.507 5.947 0 40 IKAB biogenic COc1ccc([C@@H](Nc2ccccc2I)[C@@H]2CCCCC2=O)cc1 2589197 SALSQZUNPVNDJT-OXQOHEQNSA-N 435.305 5.212 0 40 IKAB C[C@@H](OC(=O)c1ccc(C(F)(F)F)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2635778 SBTGJXYSPFCIJN-GOSISDBHSA-N 441.449 5.480 0 40 IKAB Cc1cc(Br)ccc1SCC(=O)OCc1csc(-c2ccccc2)n1 3255220 JYYHEKZNHGSBCL-UHFFFAOYSA-N 434.380 5.717 0 40 IKAB CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2-c2nc3ccccc3s2)cc1 3270125 ZYZZIMVMXWPWSW-UHFFFAOYSA-N 430.529 5.882 0 40 IKAB CC(C)Cc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 3337415 GDQKZQNRHJTRDZ-GOSISDBHSA-N 425.494 7.062 0 40 IKAB COc1cc(/C=C2/C(=O)Nc3ccc(Cl)cc32)ccc1OCC(=O)Nc1ccc(C)cc1 3350958 JDNQQKNYXODBRS-RGVLZGJSSA-N 448.906 5.167 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(Cl)c1 8832245 DBCHLKJGAGPLKR-AATRIKPKSA-N 445.538 5.526 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(Br)cc2)N1c1ccccc1 9076505 AIABABASIDSBTJ-QFIPXVFZSA-N 430.305 5.589 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(=O)c1ccccc1 9282997 CICVVCPEQCJVCU-UHFFFAOYSA-N 449.919 5.352 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)sc3ccccc3c2=O)cc1OC 9327998 RLWJBJIKJJLAJF-UHFFFAOYSA-N 431.513 5.506 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccc(F)cc2)n(CCCOC(C)C)c1C 9421133 WBIWRDQTNXOPJY-UHFFFAOYSA-N 448.542 5.855 0 40 IKAB CC[C@H](C)n1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 9477230 FIJVWICNZOICOT-ZDUSSCGKSA-N 426.929 5.363 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1Cl 9480022 IKJBZVNNVAJDMZ-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 9599159 IUGFMFDTJQZZER-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2ccccn2)cc1 9679195 LJXLKVHMOQCMFP-JOCHJYFZSA-N 445.320 5.292 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cccc(N2CCCC2=O)c1 9751574 IYQCFFHBBMVUMU-UHFFFAOYSA-N 438.361 5.558 0 40 IKAB Cn1c(-c2cccc(Br)c2)cnc1NCc1cccc(OCc2ccccc2)c1 9805787 GNLVLLRWSLVSPF-UHFFFAOYSA-N 448.364 6.041 0 40 IKAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@H]2c1ccc(C(C)C)cc1 10075816 FZYRIMUXTQRFLN-HXUWFJFHSA-N 442.350 5.422 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4C)ccc3oc2=O)cc1OC 11866196 ISZQHBZFXKCYOR-UHFFFAOYSA-N 430.456 5.313 0 40 IKAB biogenic CCOC(=O)c1ccc2nc(NC(=O)c3cc(-c4ccc(Cl)cc4)on3)sc2c1 11916503 ZKSZWTGRQXJUDS-UHFFFAOYSA-N 427.869 5.034 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2F)s1)C1=C(c2ccccc2)SCCO1 12391039 VDXDSXOCGGLPIH-UHFFFAOYSA-N 445.566 5.040 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)N1c2ccccc2Sc2ccccc21 12469647 DRIRSZAORITHPF-UHFFFAOYSA-N 447.610 6.102 0 40 IKAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)sc2c1 12541731 ZZVQPLKGFINQGS-NSDYXAQKSA-N 430.639 5.508 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)N(CCc1ccccc1)Cc1ccccc1 12624532 ZINREVRQHJSLGW-UHFFFAOYSA-N 429.545 5.100 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC(C)C 13063605 FGIBSFPAIOFGEO-PXNMLYILSA-N 437.826 5.082 0 40 IKAB Cc1cccc(OCCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1C 13227609 GBFSLDADNQREIX-QFIPXVFZSA-N 444.579 5.144 0 40 IKAB CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccccc1C 13497183 BUNFNNHXNDAZSW-QHCPKHFHSA-N 442.625 5.116 0 40 IKAB COc1ccc(CC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1C 13971675 JDJYRAKBQYDNJD-UHFFFAOYSA-N 442.540 5.539 0 40 IKAB O=C(Nc1nc(SCc2ccccc2)ns1)c1ccccc1COc1ccccc1 13987909 PKWZIHFECAMGDL-UHFFFAOYSA-N 433.558 5.662 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 14272186 OMTYXGSIQSKRRT-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)c1OC 15881825 IYYKMNPLJMOJKP-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCc1ccc(Cl)cc1 16610300 JLCVZKPRLIOETH-AWEZNQCLSA-N 426.782 5.968 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 17096185 FCKRMNWBDGRWEA-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB CCOc1ccc(CCC(=O)N2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19533104 ATTXCCLNFKKRKG-KRWDZBQOSA-N 443.494 5.206 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 20412002 GROKNDAXXVRQSF-AWNIVKPZSA-N 430.460 5.173 0 40 IKAB COc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 20636910 MNCIVZWFBKWLTI-UHFFFAOYSA-N 443.761 7.234 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)c(Cl)c1 21099917 GIUZDDUJCWSLSP-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nnc(-c3ccoc3C)o2)cs1 21328669 JSGAVTUPLGTBBT-UHFFFAOYSA-N 426.523 5.380 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(OC)ccc21 22235794 NDXPGZRADMKALN-UHFFFAOYSA-N 425.699 5.243 0 40 IKAB Cc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)COc3ccccc3F)nc12 22807925 UJNAJVMFQZDNGZ-UHFFFAOYSA-N 441.915 5.404 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)cc1 23485583 SSNPRHSZLKKUAJ-UHFFFAOYSA-N 449.598 6.343 0 40 IKAB Clc1cccc(-c2noc(CSc3nc(-c4ccccc4Br)n[nH]3)n2)c1 24107830 KKIGENFBVRLSBN-UHFFFAOYSA-N 448.733 5.230 0 40 IKAB CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 28102238 ZEGUWBQDYDXBNS-SJNJVGBPSA-N 442.728 7.140 0 40 IKAB biogenic,in-vitro CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)cc1 30855301 UAAQKYHRZKXQPJ-LJQANCHMSA-N 428.326 5.257 0 40 IKAB CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3cc(Cl)ccc3OC)cc12 33129198 NQOJNDCPHMMITL-UHFFFAOYSA-N 447.922 6.607 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 34719720 ZXXATUVQVXOJBR-GCXKICRWSA-N 429.470 5.797 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccccc2F)CC1 39752493 GXFVTOSAKMIVFC-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C[C@@H]1COc2ccccc2O1 40040407 SJCLXJMEGLCGLC-MRXNPFEDSA-N 448.466 5.049 0 40 IKAB Cc1ccccc1-n1c(-c2ccc(Br)cc2)cnc1SCC(=O)NC(C)C 44086933 FQUAPDKOMJKFLN-UHFFFAOYSA-N 444.398 5.227 0 40 IKAB CCc1ccc(Cn2c(=O)c3sccc3n3c(SCc4ccccc4C)nnc23)cc1 45924574 MVRAXQJKINUEAP-UHFFFAOYSA-N 446.601 5.317 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Cl)cc3Cl)sc2-c2ccccc2)cc1 59463647 KNNKGNFPYXBSLI-UHFFFAOYSA-N 439.367 7.345 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]32)CC1 63720234 RSUMDFBTCAAZNY-MQLOMMGFSA-N 443.031 5.085 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2cc3cc(Cl)ccc3o2)sc2c1CC[C@H](C)C2 67339263 QAVSIVQRNFVZPS-ZCRIDZFUSA-N 429.925 5.711 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1)c1c(C)cccc1C 97987575 ZBVSOPCEVCRKFW-CIAFOILYSA-N 445.544 5.406 0 40 IKAB CCC[C@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 103922202 GXTXTNAAMUKMTI-GDGUIRGDSA-N 434.561 5.245 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 222917438 WENAJUAQUBHHNK-OAQYLSRUSA-N 438.008 5.984 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223069933 XTNFFOWXXLWISX-RTWAWAEBSA-N 427.957 5.004 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 223111558 VUPXBOOJWIZGQF-FGZHOGPDSA-N 438.000 5.226 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 223657643 ALIBOPVMHWKUFN-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 223736341 WUGYHBKMQJDRPF-XMMPIXPASA-N 440.653 5.342 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223832242 VKQPRRDYBSXHBA-SFHVURJKSA-N 445.028 5.298 0 40 IKAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019719 TYVOUYGNYXVWCU-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)c1 224135750 HIKLCQXNGBDVLZ-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C 224209021 ODJLKTXHEOJNKR-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 224444233 UPCRRKBBOINMPL-XZOQPEGZSA-N 447.560 6.142 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225111063 DSOQEBDNPRMFLG-UHFFFAOYSA-N 443.584 5.517 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccccc2)CCCCC1 225534855 QHNSZMFWMMWQGS-UHFFFAOYSA-N 434.624 6.172 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 225602905 JRLOFRJABRKDFT-XXBNENTESA-N 445.003 5.058 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257230461 GCMCIQZFVPFERL-KRWDZBQOSA-N 430.961 5.093 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3cc(C(C)C)on3)CC2)n1 257263821 LRPPRUVVGWAFLS-KESTWPANSA-N 447.583 5.477 0 40 IKAB CC(C)c1ccc(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)cc1 408624360 HDTPEGJWEDBWJU-UHFFFAOYSA-N 440.952 5.278 0 40 IKAB CC(C)N(C(=S)Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)C(C)C 408734685 BXHBQWWPAWWBAU-UHFFFAOYSA-N 441.600 6.746 0 40 IKAB CCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCCC3)cc2s1 408748296 BMJPFLJLRWPDCF-UHFFFAOYSA-N 439.606 5.677 0 40 IKAB CCc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 409181924 GUCIMTPNCYBVDB-UHFFFAOYSA-N 436.338 7.128 0 40 IKAB Fc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409196592 QDBPVOTUHJFUAW-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB Cc1cnc(Nc2cccc(CC3CCN(C(=O)c4cccc(Cl)c4F)CC3)n2)s1 585263400 GRVSDYFYPZOMCA-UHFFFAOYSA-N 444.963 5.478 0 40 IKAB CCCCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264841 QKRHLJUQWIGXSZ-KNAFXUBQSA-N 438.564 5.816 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(Cl)cc4)nc3c2)c1 677333 LDALYKRQPMBUID-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N1c2ccccc2Sc2ccccc21 781915 PKEXSBGWMGJDLU-UHFFFAOYSA-N 435.505 5.797 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)c3c(-c4ccccc4Cl)noc3C)s2)cc1 986269 HVCVIPXNDQSZKK-UHFFFAOYSA-N 440.912 5.007 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 1083394 UZLQKPWMRBVAEZ-UHFFFAOYSA-N 448.302 5.983 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)C2CCCCC2)cc1 1359475 MIGHRERHCZUENU-UHFFFAOYSA-N 432.564 5.263 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nc2ccccc2n1Cc1c(F)cccc1Cl 1381377 FPTUDJKLWGWKAY-HNNXBMFYSA-N 431.964 5.370 0 40 IKAB O[C@](CCN1CC2CCC(CC2)C1)(Cc1ccccc1)c1ccc(Br)cc1 1615809 OPABGNABBQROBW-SLXFGWRHSA-N 428.414 5.392 0 40 IKAB COc1ccc(/C=C/C(=O)Oc2ccc3c(=O)c(-c4ccccc4)coc3c2)cc1OC 1790941 XSRVUQHROJFRPH-UKTHLTGXSA-N 428.440 5.096 0 40 IKAB O=C(Oc1ccccc1)c1ccccc1OC(=O)c1cc(-c2ccccc2)nc2ccccc12 1847867 USTFWYAUHRVGFG-UHFFFAOYSA-N 445.474 6.340 0 40 IKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1C 2143298 LLBCDXKWUVOQNA-UHFFFAOYSA-N 446.641 6.278 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1cccc(Cl)c1 2389613 NTOFYSRGUFXZCX-UHFFFAOYSA-N 430.942 5.032 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)cc1 3230607 AFUVGHMHHOWBFN-UHFFFAOYSA-N 428.557 7.152 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)C(c2ccccc2)c2ccccc2)c2ccccc2)c1 3314190 JQFUFXHJLFLBHK-MUUNZHRXSA-N 449.550 6.359 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc3c(c2)OCO3)c2ccccc21 3351925 QOTNJUGXWGFSEK-UHFFFAOYSA-N 427.456 5.097 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4371552 BMFRSUUPDIARMS-RSZMTYNOSA-N 429.626 7.437 0 40 IKAB CCOc1ccccc1[C@H]1C(C(=O)OC2CCCCC2)=C(C)Nc2nc3ccccc3n21 4767942 DUPSVERSWXSGOH-DEOSSOPVSA-N 431.536 5.600 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccc(C)cc2)CCO[C@@H](C(C)C)C1)Cc1ccccc1F 5031934 KHFBTGSGQORUSE-VPUSJEBWSA-N 425.588 6.036 0 40 IKAB Cc1ccc(S(=O)(=O)NC(=O)Nc2ccccc2S[C@H]2CCc3ccccc32)cc1 5664998 VSWMTYZQVXLDKY-NRFANRHFSA-N 438.574 5.285 0 40 IKAB Cc1cc(O)c([C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2cccs2)c(=O)o1 6418422 ILDJNMVFIVMEQZ-HXUWFJFHSA-N 426.578 6.196 0 40 IKAB Cc1c(CC(=O)NCCc2ccccc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 8612880 FWXQNVWXJRIPAJ-UHFFFAOYSA-N 431.532 5.355 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 8723758 QCOYEFHRTQIEQT-FQEVSTJZSA-N 435.505 5.509 0 40 IKAB CSc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(C)cc3)n2)c1 8853045 AMQCQZBMNUFVAX-UHFFFAOYSA-N 443.619 5.085 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 8903696 ASMPHENUBJIAEN-JLHYYAGUSA-N 432.501 5.773 0 40 IKAB O=C1C[C@H](c2cccc3ccccc23)Sc2nc(-c3ccccc3)c(-c3ccccc3)n21 8920146 RRSJFYKUOYFWPY-XMMPIXPASA-N 432.548 7.248 0 40 IKAB C[C@@H](NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1)c1ccccc1 8990916 QPRZSQOCGJVQTR-MRXNPFEDSA-N 433.891 5.370 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2C)c1 9075968 NONUFRCSVJBAFF-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(OC)cc2)cc1 9076068 NUNVSNVGSFPUPV-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccc2)CCC(C)CC1 9136778 AQGWXRVIMSZLLJ-UHFFFAOYSA-N 444.575 6.126 0 40 IKAB O=C(Nc1cc(C23CC4CC(CC(C4)C2)C3)ccc1Br)NC1CCCCC1 9234748 SHHJQHBQDVIISJ-UHFFFAOYSA-N 431.418 6.371 0 40 IKAB CCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9282757 ZBERHHTURYNCLF-UHFFFAOYSA-N 430.643 6.148 0 40 IKAB Cc1nc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n(C2CCCC2)c1C 9338029 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Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4csc5c4CCCC5)C3)cc2n1 12257691 SVMDUHPVAHGFCC-CQSZACIVSA-N 448.514 5.017 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCc3nnc(-c4ccc(C(C)(C)C)cc4)o3)c2n1 12650169 XNJLWUWBJXHNOB-UHFFFAOYSA-N 442.346 6.777 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)c2cccs2)C1 12891383 MEAOYFXKSHYNDC-RDPSFJRHSA-N 444.556 5.252 0 40 IKAB C[C@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12910762 DTPVLPJUTHBNIE-NSHDSACASA-N 446.926 5.719 0 40 IKAB COc1ccc(C)cc1NC(=O)CSCc1cc(-c2ccc(Cl)cc2Cl)no1 13012570 SWDRYUWSVQGVHQ-UHFFFAOYSA-N 437.348 5.837 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)CCNC(=O)c3ccccc3Cl)n2)c1C 13147549 MMLCJQPKJXHMKC-UHFFFAOYSA-N 444.988 5.050 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1NC(=O)C(C)C 14273041 URKHPKQMAUAJGB-UHFFFAOYSA-N 447.318 6.109 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)c(C)c2)cc1 19946995 UDOURFHOCXRXOT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20456601 DLGLDTJESFYJHR-FQEVSTJZSA-N 428.315 6.021 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 20767118 KHPITMRRNYEMBB-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 21005508 VFHFZQSONCNLDH-QFIPXVFZSA-N 432.886 5.756 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 21005739 ISJUTUDCAJYIDR-QHCPKHFHSA-N 431.442 5.304 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc21)c1cccs1 21343358 IRTCTEFQQPFMOE-RUZDIDTESA-N 447.943 5.562 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)cc1 25668960 WGUZYNJIEXVNSX-HXUWFJFHSA-N 448.548 5.026 0 40 IKAB COc1ccc([C@@H](CC(=O)NC2CCCCC2)c2cc(Br)ccc2O)cc1 27517416 GMZOHOIMPREEPS-LJQANCHMSA-N 432.358 5.134 0 40 IKAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 27776727 NCIOFGCFNNUNPA-ZDUSSCGKSA-N 426.929 5.228 0 40 IKAB COc1ccc(OCCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 30751098 MQVVPGMWJMLAHC-UHFFFAOYSA-N 445.559 6.021 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1Cl 32116475 VGXNQXDXOBEVNL-UHFFFAOYSA-N 449.526 5.222 0 40 IKAB COc1cccc(-c2cc(OCC(=O)Nc3cc(Cl)ccc3OC)c3ccccc3n2)c1 32985631 VUAATOPXWOCTOZ-UHFFFAOYSA-N 448.906 5.590 0 40 IKAB CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1 33026576 DBZFFJJWZOPDTG-UHFFFAOYSA-N 430.533 5.193 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2cccc(C)c2)cc1 33662097 KNFJYJVLEMURSB-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cccc(OC)c2o1 33757617 AVPZCGQAOBUIMH-UHFFFAOYSA-N 434.348 6.319 0 40 IKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 33778939 GUQBFDNWYHBGCT-UHFFFAOYSA-N 436.515 6.166 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2Cl)ccc1Cl 34897829 ZJTVUQHBQGJELY-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 38754501 FVQFGVXRYKWWAA-SNVBAGLBSA-N 430.751 5.239 0 40 IKAB O=C(NCCSCc1ccccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 39773600 FXULMYHHEAMSOI-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 40251461 VRIDPZPRNYFQEE-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1ccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)cc1C 48289161 MRNVANNIEJJJLR-UHFFFAOYSA-N 445.588 5.083 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)c2cccc(-n3nccc3-c3ccccc3)c2)c1 48309283 DZLKGYJBBRTABX-UHFFFAOYSA-N 438.531 5.274 0 40 IKAB Cc1cc(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)ccc1Br 64872244 BUGRYMOSYFXOOU-UHFFFAOYSA-N 437.362 6.529 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)cc1 67209027 SMCVSNKMILCSSD-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)ccc1Cl 67293102 SZUGPFVRPGHIND-LYYOGKFUSA-N 431.319 5.189 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1 72215828 CWJXYEYEQVDLGL-VWLOTQADSA-N 443.591 6.882 0 40 IKAB COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 72330457 YPMYTOKLIJGYTK-GJZUVCINSA-N 435.612 5.048 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)n1 72354122 SSLBKBSJHJJASP-HXUWFJFHSA-N 440.012 5.348 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1[nH]c2ccc(Cl)cc2c1Cl 84374602 MZXXVAHDYLOHKR-UHFFFAOYSA-N 437.348 5.443 0 40 IKAB Cc1ccc(-c2nc(C)c([C@H](C)OC(=O)C3CCN(C(=O)c4ccccc4)CC3)s2)cc1 95405009 BPLPCSLVEGMDLZ-IBGZPJMESA-N 448.588 5.584 0 40 IKAB COc1ccc2[nH]cc(C3CCN(C(=O)COc4ccc(Cl)c5cccnc45)CC3)c2c1 95954697 HILUIOIGNITTKI-UHFFFAOYSA-N 449.938 5.163 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(N4CCCC4)nc3)cn2CC2CC2)cc1Cl 96037683 PIFBYRMBNKAESB-UHFFFAOYSA-N 435.959 5.169 0 40 IKAB CN1c2ccccc2[C@@H](NCCCCCCC(=O)O)c2ccc(Cl)cc2S1(O)O 100471829 XERSZBJRWKCAQX-OAQYLSRUSA-N 438.977 5.528 0 40 IKAB in-vitro CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)C1 102376251 WRUHDAQSJXLXQW-XRHLQHRESA-N 441.531 6.191 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750960 NFKCYXONVQNRGZ-GOSISDBHSA-N 447.044 5.463 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 222800941 DRLBXVNDONSYGJ-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109128 XEDAHZPYSINVEW-DNQXCXABSA-N 432.593 5.186 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 223130827 YJZLJTBOJUHVHO-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1C(C)C 223274100 XJPFWLANZAHNAT-NRFANRHFSA-N 447.644 7.219 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc(OC)c(C)c1 223450619 PGEWYXPUYMVBTB-IBGZPJMESA-N 434.374 5.536 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 223690365 GSIGOUWKTWWKMT-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223698353 GRNFSFCXSOGDDH-MHZLTWQESA-N 444.619 5.805 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 223735566 LCNLMWHAEBHNND-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(Cl)cc1 224158717 SPYFXZIZRRERJL-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(C)C 224186352 UNTAAMWFJNWGBG-QFIPXVFZSA-N 442.606 5.009 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(Cl)c(C)c2)c1 224210904 KSVRDYXXRQGBBF-UHFFFAOYSA-N 437.967 6.613 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224522864 JILKBQJGSMGSEE-UHFFFAOYSA-N 447.575 6.613 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)C 224572555 ZNDFGINDDFKFFD-IBGZPJMESA-N 435.539 6.418 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224812652 BXKNMDSUIHSFJQ-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)c3cccc(OCc4ccccc4Cl)c3)ccc21 225113458 RDFSAFWRSRIRPM-UHFFFAOYSA-N 438.936 5.568 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225155659 QMAKMIKKJHBTOZ-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225251278 XNMRQFFUIBKNOW-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1OC 225364125 GCQQZAPJPMPTHB-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225516048 AQRPQQBRGHZPTA-OYRHEFFESA-N 438.587 5.633 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225516218 LDCJQPLEQCDHJU-URXFXBBRSA-N 438.612 5.021 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1C 225607990 JJMYJVCGMRMLCA-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C(F)(F)F 225751902 IYZJSZIQSKLLJQ-UHFFFAOYSA-N 446.296 6.861 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 225778256 MOYFQGLDKUBLIC-UHFFFAOYSA-N 431.923 5.343 0 40 IKAB Cc1nc(Cc2ccccc2)ncc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 225795346 NEJZADOODPINDL-UHFFFAOYSA-N 429.907 6.074 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c(Cl)c1 227157789 FFXPUESHABVVHU-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB C[C@@H]1C[C@H](C[C@@H]2CC[C@@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 248334811 MBAJXSUVUDTNQG-UFOPBENGSA-N 426.557 5.032 0 40 IKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@@]12C 253498485 AHQGBTJUQBJWCN-BHCFXTQQSA-N 436.592 6.107 0 40 IKAB CCCCc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257340647 ZHARGMARRJTGII-OAQYLSRUSA-N 426.948 5.352 0 40 IKAB Cc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408577913 VRKFYFKZPKETDF-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCc1cccc2ccccc12 408603089 ARFDQGWYRNZYMK-UHFFFAOYSA-N 435.926 7.222 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408617534 COIPRFYCCWRDHV-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB O=C(O)/C(=C/c1ccc(Br)s1)Sc1nnc(-c2ccc(Cl)cc2)o1 408633897 MXYWBEHZFRMWGC-XFFZJAGNSA-N 443.731 5.432 0 40 IKAB Cc1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)ccc1Br 408924516 JMUYDWQXMUCSIM-XMHGGMMESA-N 426.741 6.590 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2F)o1 409005944 HKFVLBPZDLEQIZ-SNVBAGLBSA-N 442.299 5.386 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2CC)cc1 409152427 FCZZPKGKHJQLKM-MRXNPFEDSA-N 442.560 5.179 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409230048 AYPWPYOZFGSDAE-ONDHQXCVSA-N 444.940 5.192 0 40 IKAB O=C(Nc1nc([C@@H]2CCCN2Cc2nccs2)cs1)c1ccc(C(F)(F)F)cc1 585268787 OHLAWTJTEZTQJK-HNNXBMFYSA-N 438.500 5.208 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CCCn1ccnc1 643582047 JQFDFHPQSIBSBN-DEOSSOPVSA-N 446.595 5.111 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 894874 VDTWXRJKSNBCMU-UHFFFAOYSA-N 441.600 5.798 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C 898908 BOWKEENIZXXJPN-UQBPGWFLSA-N 430.523 6.139 0 40 IKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1-c1ccccc1)OCO3 933040 HWVMNKCLUDEXNN-UHFFFAOYSA-N 428.513 5.670 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccccc5Cl)c3c2N)CCC4)cc1 1300202 DDRZEXIRHHMVCI-UHFFFAOYSA-N 449.963 5.949 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 1378198 GVUMQUKGPYQERJ-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB CC1(C)CC(=O)c2c(oc3c2cc(NS(=O)(=O)c2ccc(F)cc2)c2ccccc23)C1 1405393 GYNCFIIRXBODMF-UHFFFAOYSA-N 437.492 5.681 0 40 IKAB Cc1ccc2c(Br)cc(Br)c(OC(=O)N3CCCCCC3)c2n1 1439768 KWUCPVUWBAKFDK-UHFFFAOYSA-N 442.151 5.443 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 1813599 XNJYWTABNWAQHU-UHFFFAOYSA-N 440.930 7.677 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)cc4)c3)nc2c1 1861055 ITIHSIPKAXEYGT-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB Cc1cccc(-c2nnc3sc(-c4cnn(-c5ccccc5)c4-c4ccccc4)nn23)c1 2183265 PHOQOJWPIKEANK-UHFFFAOYSA-N 434.528 5.681 0 40 IKAB Cc1oc2c(cc(NS(=O)(=O)c3cccs3)c3ccccc32)c1C(=O)OC(C)C 2184847 CULMPYASWKMZEN-UHFFFAOYSA-N 429.519 5.322 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1ccccc1)C3=O 2236745 VZTNVJFZJGXJGV-QFIPXVFZSA-N 431.875 5.206 0 40 IKAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(NC[C@@H]5CCCO5)ncnc4c23)CO1 2272793 VGBQUGJXWKFSHG-INIZCTEOSA-N 446.576 5.349 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCC(=O)c3ccc4ccccc4c3)ccc12 2297448 WGWUMPUQPPGNFB-UHFFFAOYSA-N 448.518 6.416 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@@H](Cc2ccccc2)c2ccc(OC(C)C)cc2)cc1 2317353 BAUNNWNDLVQBEF-DEOSSOPVSA-N 437.605 5.477 0 40 IKAB CCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2355682 NAOKLGAZOXPVHC-UHFFFAOYSA-N 429.655 6.572 0 40 IKAB O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(F)cc1F 3047526 RVOLWXXNFWVNDM-UHFFFAOYSA-N 440.902 6.590 0 40 IKAB Cn1nc(-c2ccccc2)c(COC(=O)c2cccc(Cl)c2)c1Sc1ccccc1 3048586 VKCQSTWAALHKLI-UHFFFAOYSA-N 434.948 6.249 0 40 IKAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc(N(c3ccccc3)c3ccccc3)cc2)N1 3220023 BOGYICUFQAUFAZ-RUZDIDTESA-N 430.515 5.602 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)Nc1ccc(Cl)cc1 3231265 ZHECHYYLXPQHCW-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3266308 KIOFPKLGRJLHCV-UHFFFAOYSA-N 446.551 5.675 0 40 IKAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1Cc1ccccc1 3270056 IQESLZCJEIRIFY-UHFFFAOYSA-N 446.366 5.239 0 40 IKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)cc1 3328185 ATHNVLUVANDCEK-UHFFFAOYSA-N 436.512 5.184 0 40 IKAB COc1ccc(C)cc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 3547598 HMUSSOYUGYSGCC-OAQYLSRUSA-N 432.501 5.118 0 40 IKAB Cc1c(C(=O)OCCc2ccccc2)[nH]c2c1C(=O)C[C@@H](c1ccc(C(C)(C)C)cc1)C2 4911805 LTSJGUAWIHMBMZ-NRFANRHFSA-N 429.560 5.933 0 40 IKAB COc1ccc(-c2nc(C(=O)NCCC3=CCCCC3)cc3c2[nH]c2ccccc23)cc1 5908210 KBDBFWVTKCXJJO-UHFFFAOYSA-N 425.532 6.012 0 40 IKAB biogenic CC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 6074164 RTBDTLIEYVOJFB-UHFFFAOYSA-N 435.310 6.664 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)c(Cl)c1)c1ccccc1 6142867 NZTDBVLWWRGIMA-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB CN(C(=O)COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)C1CCCCC1 6287677 ULCOPOWCCSMXSX-UHFFFAOYSA-N 448.535 5.693 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2ccccc2)CC1 8004303 MSLGAGZARNHVOI-FQEVSTJZSA-N 427.548 5.031 0 40 IKAB COCc1nn2c(N)c(-c3ccc(Cl)cc3)cnc2c1-c1ccc(Br)cc1 8730748 NOGLRHFRNJQNKA-UHFFFAOYSA-N 443.732 5.208 0 40 IKAB Nc1c(C(=O)NCCc2c[nH]c3ccccc23)sc2nc(C3CC3)cc(C(F)(F)F)c12 8748712 RWNHDEYSLBGKFA-UHFFFAOYSA-N 444.482 5.229 0 40 IKAB O=C(Nc1cc(OCc2ccccc2)c(Cl)cc1Cl)c1cccc(C(F)(F)F)c1 8888106 PVWKMDDIEQAGRB-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)sc2c1 8904276 MNIVFGXGDVFUTF-UHFFFAOYSA-N 426.881 5.557 0 40 IKAB CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1Cc1ccc(F)cc1 8934188 LUJLJNXUWBUNPH-QFIPXVFZSA-N 448.498 5.296 0 40 IKAB COc1ccc(-c2nnc(S)n2-c2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 9089681 NSBYIXSRVVUVIU-UHFFFAOYSA-N 430.558 5.817 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)[nH]2)cc1 9199449 GZUUAXYWDRXNQU-UHFFFAOYSA-N 435.380 5.807 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 9408975 JRUMWBLWLKIRRJ-OAQYLSRUSA-N 440.286 5.428 0 40 IKAB Fc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)cc1 9515761 XVUPNRMJEMPZGK-INIZCTEOSA-N 426.542 5.165 0 40 IKAB Cc1ccc(C(=O)[C@H](CC(=O)c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 9591935 RXESRLGDRDYJNV-VWLOTQADSA-N 434.557 5.218 0 40 IKAB COc1ccc2c(CC(=O)N(Cc3cccs3)c3ccc4c(c3)OCCO4)coc2c1 9634124 XQZMRDIZIXAZNF-UHFFFAOYSA-N 435.501 5.050 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(oc3ccccc32)c1=O 9749389 SVUXZRILRBUWOU-UHFFFAOYSA-N 435.549 5.290 0 40 IKAB CCCc1ccc(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1 9831879 HNCUMGHSVUPQON-UHFFFAOYSA-N 439.610 5.297 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N[C@@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C 9910625 PEBHBEBEHINJLA-GOEBONIOSA-N 429.611 5.014 0 40 IKAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1cc(Cl)ccc1Cl)CCCN4CCC3 9969174 FDQPHLBPPZHPHW-UHFFFAOYSA-N 428.319 5.170 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073770 GSHZXVHPQJBNJQ-HNNXBMFYSA-N 425.326 5.014 0 40 IKAB CCCOc1cccc(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)c1 11915529 VYWRZKPIOBYFEP-UHFFFAOYSA-N 439.512 5.355 0 40 IKAB CN(Cc1nc2ccccc2n1CCCCOc1ccc(Cl)cc1)C(=O)c1ccco1 12539313 WDUCDOIBVRRFTE-UHFFFAOYSA-N 437.927 5.414 0 40 IKAB CC(C)(C)c1ccc(NC(=O)C2CCN(C(=O)c3ccc(Br)cc3)CC2)cc1 12757516 UGRIQXYTGJRDGP-UHFFFAOYSA-N 443.385 5.238 0 40 IKAB COc1ccc([C@H]2CCCN2Cn2nc(-c3cc(Cl)ccc3OC)[nH]c2=S)cc1 12787488 ITUZMLGFRVCXPT-GOSISDBHSA-N 430.961 5.073 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12 13041613 KKHLQEJBCIZSHM-LBPRGKRZSA-N 438.424 5.820 0 40 IKAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)c(OC)c1 14182550 SFYHXXFPBHCTGH-IBGZPJMESA-N 444.988 5.083 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c(Br)c1 14835465 OYZNUBFHBZCONM-UHFFFAOYSA-N 430.264 5.783 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2=Cc3cc(Br)ccc3OC=C2)cc1 15838630 QZEYWEBRXVEUDG-UHFFFAOYSA-N 442.309 5.334 0 40 IKAB Cc1ccc2[nH]c(SCc3ccccc3CSc3nc4cc(C)ccc4[nH]3)nc2c1 16348348 RODKCKKKJDHHHX-UHFFFAOYSA-N 430.602 6.641 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 16525139 MLSMQIBRTNZDSY-VGOFMYFVSA-N 432.936 5.410 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2cccs2)N1c1ccc(Cl)c(Cl)c1 16682602 RXEQFBPHZMIJPQ-HXUWFJFHSA-N 446.359 5.957 0 40 IKAB CC[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16757968 WIHPLQVNCKYQRM-OAHLLOKOSA-N 438.394 6.741 0 40 IKAB COc1cccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2c[nH]c3ccccc23)c1 16960668 FBFZOFGAJILDQZ-UHFFFAOYSA-N 440.528 5.399 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(Br)cc1Cl 17101036 WNLZGPIDPVOKFT-JXMROGBWSA-N 437.120 6.668 0 40 IKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1 17206177 QYUNEBGWHRWZGO-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB O=C(c1cccnc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccc(Cl)cc3)CC[C@H]21 19337814 DDMBFHROIYCRLV-UBFVSLLYSA-N 449.957 5.004 0 40 IKAB CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccnc2)CCCN(C(=O)CC2CCCC2)C1 19448797 OLVYSDFABLVDBG-NDEPHWFRSA-N 447.623 5.005 0 40 IKAB COc1ccccc1CN1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 19882376 XMHSYPDNJROFGG-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCC(=O)O)[C@@H]21 19897768 HZYCQOFWTRIOEA-ARGHXXNLSA-N 434.617 5.049 0 40 IKAB biogenic,in-vitro Cc1ccc(N(CC(=O)Nc2cc(Cl)cc(Cl)c2)S(=O)(=O)c2ccccc2)cc1 19946287 LCWSFQBFVRIZNM-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20105760 FCBKPNMUPQZVNO-RPLLCQBOSA-N 442.584 5.268 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc2ccccc2c1 20152273 ZQQCHOUDAALGQI-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@H](c2cccc3ccccc23)n2c1nc1ccccc12 20675451 MMSYQGHRZTWHTN-RPWUZVMVSA-N 441.531 5.105 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 29193437 DQIOIFGZMIPJCS-QHCPKHFHSA-N 435.527 5.622 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1 33068289 MQUWOCRIUSZBIR-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc(Cl)c(Cl)c1 34933487 SKHKMHXQUHKUPY-UHFFFAOYSA-N 445.689 5.700 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)nn12 57313357 ZRHWLPSPSYEGRV-UHFFFAOYSA-N 449.580 5.255 0 40 IKAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)C(C)(C)c3ccccc3)cc2Cl)n1 60098353 QGYBUBYTBKGOSZ-KRWDZBQOSA-N 438.959 5.269 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc(-c2cccc(F)c2)n1 67257368 KYAJNXGUDLTRPF-UHFFFAOYSA-N 432.318 5.084 0 40 IKAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1ccc(C(F)(F)F)cc1 67293342 SBILUFVNOHGRPY-MEFGMAGPSA-N 425.366 5.037 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)Cc1csc(C(C)C)n1 72295963 YUNWOIHNQIIJAN-UHFFFAOYSA-N 448.567 6.247 0 40 IKAB CC(C)n1cnc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 72356476 HHBHJJCJWWESOP-OAQYLSRUSA-N 442.538 5.838 0 40 IKAB O=C(c1ccccc1Br)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177448 FXTYUKWZPIVOGX-CYBMUJFWSA-N 446.345 5.127 0 40 IKAB O=C(N[C@@H](C(=O)O)c1ccccc1C(F)(F)F)OCC1c2ccccc2-c2ccccc21 95748954 DMTFGKGIANTPRI-OAQYLSRUSA-N 441.405 5.370 0 40 IKAB CC(C)Oc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@H]2C(=O)Nc2ccccc2)cc1 96115370 YJVPGCBTCMTAJV-RCZVLFRGSA-N 441.483 5.112 0 40 IKAB biogenic CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 96437999 RIGMQGWSKXUGRZ-HSZRJFAPSA-N 430.508 5.230 0 40 IKAB COc1cc2nc(SC[C@H]3CCCCO3)n(C3CCCCCC3)c(=N)c2cc1OC 100330633 LZPLZVBTRVPSSH-QGZVFWFLSA-N 431.602 5.089 0 40 IKAB CN1/C(=C\C(/C=C2\N(C)c3ccccc3C2(C)C)c2ccccc2)C(C)(C)c2ccccc21 100673201 NJLQAHUMWXURBG-FJWSNAJBSA-N 434.627 7.393 0 40 IKAB COc1cccc(C[C@H]2C(=O)N(C)c3ccc(Br)cc32)c1OC1CCCC1 101014878 OOHJOBUXXFPCKC-GOSISDBHSA-N 430.342 5.082 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101076911 CZUDJILWSYVQCR-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc4ccccc34)C2=O)cc1 102707411 CKHWGQAGHQQPTC-KKUQBAQOSA-N 434.495 5.199 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5nc(-c6ccccn6)cs5)(C4)C2)C3)cc1 103112913 BYVKTMNEBLLFHL-JKRLWXMKSA-N 429.589 5.990 0 40 IKAB COc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccc(C)c(C)c4)o3)sc2c1 107683489 STXWPHGGFKYIQA-UHFFFAOYSA-N 437.546 5.309 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 107887511 OCCHULJVLQSUOJ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 223123474 XFEFREDSUKETQO-NOZRDPDXSA-N 425.016 5.698 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223395310 WULJIOPOBYMBJS-BJKOFHAPSA-N 428.536 5.184 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)c2)c1 223953039 NZVFTKPDEMPIGO-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1C 223979724 IQLQGDQMRLRDHV-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1)c1ccccc1 223997676 MWXWMRGTJJYODB-QFIPXVFZSA-N 440.590 5.090 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)cc2)cc1 223997935 WKWPTOKHEMBARN-KRWDZBQOSA-N 440.590 5.009 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 224079391 YCESGTVUVRXHKX-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 224086902 PQMHUCRJLKZOTJ-CQSZACIVSA-N 439.358 5.007 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 224307006 HQKPOUMONDMMOA-XMMPIXPASA-N 436.983 5.369 0 40 IKAB CCOc1ccc(C(=O)NC[C@H]2CCCO2)cc1COc1ccc(-c2ccccc2)cc1 224552663 WPXKVWBBDTWERU-RUZDIDTESA-N 431.532 5.240 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(C)c(C)c1 224620969 DDFQUHNTOAHHNS-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OCC)cc3)o2)cc1 224922560 AKVBQSBQJINNLW-UHFFFAOYSA-N 440.543 7.002 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225165375 QFIUHKJYXSPCDV-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225211163 UKIPRWVOIRVOTQ-VQTJNVASSA-N 444.616 5.008 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1 225318367 WHYOVEYMPAPWJR-JYBCESJWSA-N 434.561 5.022 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225411876 OXBIHXRWVBYFFF-LEWJYISDSA-N 438.612 5.083 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225558406 DFKNDMJOKDXPFS-REWPJTCUSA-N 426.626 5.199 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2cccc(F)c2)nc1COc1ccc2c(c1)CCCC2 257201777 AJAPDELZIFHLIL-DEOSSOPVSA-N 447.510 5.113 0 40 IKAB O=C1CCCC[C@H]2[C@@H](C[C@@H](c3cccc(C(F)(F)F)c3)N2C(=O)CCc2ccccc2)N1 257256953 KNNFDDCDGWPVJZ-FSSWDIPSSA-N 444.497 5.039 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)c(Cl)c3)cc2)cc1 408544616 IBGPLHCGJKZRHO-UHFFFAOYSA-N 446.797 6.956 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408583608 IQOGIWJGAPSECO-UHFFFAOYSA-N 429.586 5.020 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(OC(C)C)cc2)C(=O)O)n[nH]1 408630548 BLSMJVILFKGRDG-ZDLGFXPLSA-N 445.928 5.139 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc4ccccc34)c3ccccc3n2)cc1 408644830 HPSBGBQIEIMJAR-UHFFFAOYSA-N 446.506 6.159 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)cc1C 408698862 SIPKPDPLMCXNRJ-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 408979282 MAQNCRYKNKTWFJ-NRFANRHFSA-N 427.529 5.310 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1CC1CCCCC1 409149261 ZWLMPLHOSLKKTN-RIYZIHGNSA-N 430.751 5.425 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 409180000 SUDRYHKNGHFECD-MHZLTWQESA-N 440.926 6.639 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc(Cl)cc2Cl)o1 409199550 OUSXZIAKSOSFBV-UHFFFAOYSA-N 426.683 6.080 0 40 IKAB Cc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(Cl)cc2)cc1C 409210653 GBUIKUBTUCHCAW-UHFFFAOYSA-N 428.989 5.069 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 409330675 LWJYGQYCSJFLIB-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc21 409354108 YEFGCGRSAKGRPK-XKZIYDEJSA-N 447.560 5.343 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 409381878 OKFMWIIDFMAPFC-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 409409726 QOTBPYKBIBPISN-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(Cc2ccccc2)CC1 585166488 HXRYDSKNLIPHBN-UHFFFAOYSA-N 427.592 5.098 0 40 IKAB O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 673803 JEWKVAYOSXNLFR-DGCLKSJQSA-N 442.850 5.216 0 40 IKAB COc1cccc(C(=O)Oc2ccc3ccc(OC(=O)c4cccc(OC)c4)cc3c2)c1 683094 FETHUOUCQCEMFG-UHFFFAOYSA-N 428.440 5.295 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3C)n2-c2ccccc2)cc1 868882 DOZLNNXFTDPSHM-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccc(OC)c(-c2csc(N(Cc3ccccc3)C(=O)c3cccs3)n2)c1 881025 CGOACTVCJYTQGZ-UHFFFAOYSA-N 436.558 5.736 0 40 IKAB CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC(C)C)c1C 995131 VABHHUOOYMBGFD-UHFFFAOYSA-N 436.961 5.009 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 1099425 KKPRAVFWIBNXKO-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@H]1c1ccccc1 1282915 WPMVRLFCYFJDLS-IBGZPJMESA-N 440.956 5.076 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)cc1Cl 1402866 KXQAMZHBIPOVCW-UHFFFAOYSA-N 442.327 5.345 0 40 IKAB Cc1ccccc1-n1c(SCCC(C)C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1832427 NBDJCMSPPMZPRT-UHFFFAOYSA-N 444.644 6.714 0 40 IKAB biogenic COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)cc1 2414746 ZDICCOBPMKJRML-XMMPIXPASA-N 443.474 5.037 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)c2c1C 2663909 WVDNYKNSUBHZJN-UHFFFAOYSA-N 449.557 5.483 0 40 IKAB O=C(N[C@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(Cl)cc1 2682444 BAXBAZPJYLOHFG-FQEVSTJZSA-N 432.829 5.410 0 40 IKAB C[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2721845 IGIUYSNXNYSPMD-AWEZNQCLSA-N 429.494 5.760 0 40 IKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 3014310 CZDBTPOJTLCTRK-KBMIEXCESA-N 434.561 5.077 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1c(F)cccc1F 3189856 NFAFIZPYKBKSQA-UHFFFAOYSA-N 426.513 6.434 0 40 IKAB Cc1ccc(-c2cc3nc(SC[C@@H]4CCCO4)n(Cc4ccccc4)c(=O)c3s2)cc1 3440532 LSSTVLYVPLNVPE-FQEVSTJZSA-N 448.613 5.753 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O 3507400 KQRQQAQSHLWBOU-LLVKDONJSA-N 437.384 5.167 0 40 IKAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655496 AAOYVHBEOXSFGX-KRWDZBQOSA-N 447.918 6.340 0 40 IKAB Cc1ccc(-n2c(C)c(CC(Cl)(Cl)Cl)c3c2CC(C)(C)CC3=O)cc1Cl 3672596 QNRUFLBANKREBZ-UHFFFAOYSA-N 433.206 6.815 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 3843886 OSYGNEOCCSKLON-IREKRRHVSA-N 438.652 6.325 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@H](c1ccncc1)O2 6177405 GQBPSVFAWAYQDU-GTJPDFRWSA-N 430.291 5.298 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)cc1Cl 8926552 FHNGPPRBWIZEBI-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(COc3cccc(C)c3)o2)c2ccccc2)cc1 8945235 ZDBFJACNYGZYIH-HSZRJFAPSA-N 445.544 5.738 0 40 IKAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 8965753 IJXVPBWCCGESFG-KRWDZBQOSA-N 445.544 5.922 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccco2)cc1Br 9066886 RIRJKPMGGJWBPW-LNVKXUELSA-N 441.350 5.861 0 40 IKAB COc1ccc([C@H](NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc2)cc1 9223399 FSSVRIYIMINXPU-RUZDIDTESA-N 440.499 5.368 0 40 IKAB CC(=O)c1ccc(C(=O)N(Cc2ccncc2)c2nc3c(C)c(Cl)ccc3s2)cc1 9317714 NAXRNRSSBDWQOD-UHFFFAOYSA-N 435.936 5.703 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cc(C)ccc1C 9463825 BMAKWCCJOLQCTO-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1C(=O)Nc1ccccc1 9501491 IHBXUBOTYYZPJW-QGZVFWFLSA-N 445.544 5.147 0 40 IKAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c2cnn(C(C)C)c2n1 9516252 BKBBIOXBTQDBTE-KRWDZBQOSA-N 447.608 5.765 0 40 IKAB COc1ccc(S(=O)(=O)c2cc3cc(C(C)(C)C)cc(C(C)(C)C)c3oc2=O)cc1 9610713 TWCWQFAUVOTACO-UHFFFAOYSA-N 428.550 5.229 0 40 IKAB Cc1cc(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)ccc1Cl 11667402 GNOVDFRBFSBOPD-QGZVFWFLSA-N 437.927 5.551 0 40 IKAB Cc1ccc(OC[C@@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 12561476 OOJODHAHDJENCN-HSZRJFAPSA-N 445.588 5.392 0 40 IKAB Cc1ccc(-n2nc(CSc3nc4ccccc4[nH]3)c(-c3ccccc3)c2N)c(C)c1 12654147 JIAXIYHWXRXUQC-UHFFFAOYSA-N 425.561 5.907 0 40 IKAB CCCCCNC(=O)OC[C@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 12654499 BTQCHPRUVKAYMZ-VHAXNVPRSA-N 429.557 5.238 0 40 IKAB Cc1ccc(OCCCn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 13030885 DVJAUMKTXLSHNE-HSZRJFAPSA-N 426.604 7.164 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)N(c2ccccc2)c2nc(C)cs2)cc1OC 13128421 UILFTOZEAXCIKE-ZHACJKMWSA-N 442.968 6.280 0 40 IKAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@@H]1Sc1nc2ccccc2s1)c1ccccc1 13133815 VOKYGOZSFFERIH-CTNGQTDRSA-N 438.599 5.033 0 40 IKAB CC1CCN(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CCCC3)CC1 13134066 YQUWXBYVNKONEQ-UHFFFAOYSA-N 446.016 5.203 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(Br)c3)c2n1 13149146 RUQWMHSJMPJYQI-UHFFFAOYSA-N 440.124 5.630 0 40 IKAB Clc1ccc(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)cc1Cl 13534161 XHZSHEQHZFMPQK-UHFFFAOYSA-N 434.153 8.024 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 13617721 IBKYNEFOMSOAHD-HKBOAZHASA-N 439.298 5.045 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 14128732 AAPQTQBBCFLVAK-OAQYLSRUSA-N 449.601 6.179 0 40 IKAB O=C(/C=C/c1cc(Cl)ccc1Cl)Nc1ccccc1-c1nnc2n1CCCCC2 14142266 YVXDFKPOVXHYBL-FMIVXFBMSA-N 427.335 5.630 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 14272685 VWCHSNNYIPPXTR-UHFFFAOYSA-N 444.510 5.625 0 40 IKAB CCCCCOc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(OCCCCC)cc2)cc1 15905884 HPKSGVLDXMGMEW-WMPKNSHKSA-N 444.568 5.981 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 15905961 CJQKVTCNZNGYMR-UKCLGBFISA-N 432.907 6.362 0 40 IKAB C[C@H](NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)C12CC3CC(CC(C3)C1)C2 16576201 GZSWOTNVJJBDQD-MPVQEXEOSA-N 444.446 7.267 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3oc4cc(C)ccc4c3C)cc3sc(=O)oc23)cc1 16749863 IUOZIOJQMDYDMJ-UHFFFAOYSA-N 446.480 6.112 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC)c(OCC)c1 16751945 ZGEKDBFBFBNGAJ-HSZRJFAPSA-N 435.520 5.326 0 40 IKAB COc1cccc(-n2c(SCc3cccc(F)c3)nc3c([nH]c4ccccc43)c2=O)c1 16960600 DCVGPOKHRGSVBV-UHFFFAOYSA-N 431.492 5.307 0 40 IKAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 17100303 DNAIECCUDXQMRL-UHFFFAOYSA-N 436.515 5.923 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 17100908 TZDSMCPEMAYAQA-KRWDZBQOSA-N 436.939 6.123 0 40 IKAB CC(C)Oc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1 19450871 LRWDIRNFKZDFFZ-JTHBVZDNSA-N 441.641 5.190 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](c1ccc(C(C)C)cc1)N1CCN(c2ccc(F)cc2)CC1 19902790 GVJXWYUHTSFSGP-GDLZYMKVSA-N 441.594 6.650 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccccc4Cl)ccc32)cc1 20766035 DDWKILMYBFNYAY-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB O=S1(=O)N=C(SCc2ccc(Cl)cc2)N(Cc2ccccc2)c2ccccc21 21117537 SWGHQMNYLYLZLL-UHFFFAOYSA-N 428.966 5.338 0 40 IKAB COc1ccc(-n2c(SCC(=O)N[C@@H]3CCCc4ccccc43)nc3ccccc32)cc1 25396628 WIQROYORNQGELU-JOCHJYFZSA-N 443.572 5.320 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4C)cc3)n2)cc1 32578693 JDRPSHBKTOCXJX-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB CCOC(/C=C1\Sc2c(ccc3c2CCCC3)N1CC)=C1\SC(=S)N(CC)C1=O 33671386 BQFIVDFIBTUPJP-ZGBAOLTGSA-N 446.663 5.467 0 40 IKAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4c(F)cccc4Cl)c3n2)c1 40485154 FNMZCENSFOJOLY-UHFFFAOYSA-N 433.870 5.166 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC[C@@H](c2ccco2)N2CCN(c3ccccc3F)CC2)cc1 56945927 IBHNRMGFNJCYDI-DEOSSOPVSA-N 449.570 5.010 0 40 IKAB O=C(NC(=S)Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc2nsnc2c1 57314098 JWPLVOUKMJOMER-UHFFFAOYSA-N 447.570 5.095 0 40 IKAB C[C@@H]1[C@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 85764165 OFLPXEYYLDOAPP-WKJNXKQTSA-N 444.744 7.220 0 40 IKAB COc1ccc(-n2cnc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)SCC(O)=N3)cc1 95480581 OJXSARFBRHCPJL-QFIPXVFZSA-N 439.537 5.101 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(F)cc1 102681269 SMNNPRYAEDCRGM-UUSHHUINSA-N 447.531 5.964 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccc(F)cc3)C2=O)c1 106707386 ZAIAIVJPDOGTOC-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C=C[C@H]2C1 118924526 OYEYIKXHJYRVQH-SPTWOZHASA-N 428.701 7.815 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)N1CCCCC1 222721548 XVNIXDRUYBSMOO-UHFFFAOYSA-N 437.392 5.491 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)cc1S(=O)(=O)Nc1ccccc1 222932766 YKNJVOVAUSQYRM-IBGZPJMESA-N 448.588 5.166 0 40 IKAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223129514 CJBAXTRPYNZMPF-QHCPKHFHSA-N 429.004 5.386 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 223394618 FRWNGAZCMURGKM-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 223849720 VHILDPHJSNQNPK-GOTSBHOMSA-N 446.963 5.408 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C 224113207 UBAMVBMPAFJNGE-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 224327232 XWYFJAUELWIUFM-RPBOFIJWSA-N 439.588 5.315 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224357966 DCNBWZRYORJMIL-UHFFFAOYSA-N 428.941 5.116 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224904306 VRTJAPPRWIAHEU-UHFFFAOYSA-N 426.516 6.394 0 40 IKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 225578720 NMPISXFWNRAMEZ-OAHLLOKOSA-N 438.351 5.094 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC 225752203 ASNCKEAOBDIVGE-UHFFFAOYSA-N 436.335 5.629 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 248148586 APXGMXGYVLNWBD-PBWTXFEYSA-N 438.538 5.279 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 248153576 CIBZZCQOXBLLDK-SZMVWBNQSA-N 426.527 5.113 0 40 IKAB COc1cc(C)c(CN2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)c(C)c1C 257202441 ALUJQIFISVDCOH-DEOSSOPVSA-N 449.038 6.639 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4Cl)o3)C2)[nH]n1 257211745 CAGJERMBBFOOOD-QGZVFWFLSA-N 426.948 5.004 0 40 IKAB O=C1O[C@@]2(CCCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)CN1Cc1ccccc1 257277926 OABFEDVJSNECNS-XMMPIXPASA-N 438.911 5.104 0 40 IKAB CCOc1cc([C@H]2OCC[C@@]34C[C@@H](C[C@H]23)C(C)(C)[C@H]4NC(=O)CC)ccc1OC(F)F 257313048 UQUBOHXMPDRUDX-XQKXNWCXSA-N 437.527 5.095 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@H]2C)cc1 260812447 BQIPUKWLPRFBLH-JOCHJYFZSA-N 432.649 5.746 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Cl)cc(Cl)c1OCc1ccc(C)cc1 408552841 KOJCLZRPMFHTMS-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1 408557518 OJFHYPPMDDADGM-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408572607 HJCYHCRMCUMDKE-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(NC(=O)c4ccc(N)cc4)cc3)cc2)cc1 408673752 UUVXPDMDPLQRSX-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)c(OC)c1 408839636 UWVMJLQBECYRMA-VGOFMYFVSA-N 434.300 5.570 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nnc2-c2ccncc2)cc1 409097289 LWKPMBZJHLSOBS-UHFFFAOYSA-N 443.576 5.185 0 40 IKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409119952 RGZCDNPPRPZEBE-UHFFFAOYSA-N 434.630 6.617 0 40 IKAB COc1ccc(OCCn2cc(/C=C3\SC(=O)N(C(C)C)C3=O)c3ccccc32)cc1 409131929 ZDWSWOVFUMHWHD-HMAPJEAMSA-N 436.533 5.174 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cc(-c3nc4ccccc4s3)c2-c2ccccc2)cc1 409194617 QEVJGTPBYOXZLC-UHFFFAOYSA-N 442.587 8.396 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)c(Br)c(Br)c1O 409257044 NOSICSZVLZNHKJ-UHFFFAOYSA-N 429.133 5.593 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)CC 409349865 VDCBCMJAWPLGRL-DABDWFRDSA-N 431.941 6.157 0 40 IKAB COc1ccc2ncc3c(-c4ccccc4)nn(CC(=O)Nc4ccccc4Cl)c3c2c1 1889281969 QQYZRUPBBJZFIQ-UHFFFAOYSA-N 442.906 5.552 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N1CCCc2ccccc21 642544 OZWPXFFEVHMEPO-UHFFFAOYSA-N 426.545 5.006 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1c1cccc(Cl)c1 686529 MKRFQCCNCLCPQP-WSDLNYQXSA-N 445.881 5.579 0 40 IKAB O=C(c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1)N1CCCc2ccccc21 844973 DHEJKQAMGCMRHF-UHFFFAOYSA-N 440.400 5.147 0 40 IKAB Cc1ccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 878133 WWWACNAXBQEQOI-IBGZPJMESA-N 444.560 5.274 0 40 IKAB COc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 883150 AWOWXLPLHQISMD-GOSISDBHSA-N 449.620 5.307 0 40 IKAB CCc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 884000 QAHWGGZMPUUDOP-PMACEKPBSA-N 444.457 5.367 0 40 IKAB COc1ccc2nc(SCC(=O)N(Cc3ccccc3)c3ccc(F)cc3)c(C)cc2c1 933006 MRBNNYKMDGRGLT-UHFFFAOYSA-N 446.547 6.016 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SCC(=O)Nc2ccc(C)c(Cl)c2)cc1 1332330 QXXITCIORDUWCG-UHFFFAOYSA-N 440.952 5.640 0 40 IKAB COc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 1381411 IFMTVUKNOYGRRK-UHFFFAOYSA-N 437.952 5.477 0 40 IKAB O=C1C(Cl)=C(N(Cc2ccccc2)Cc2ccccc2)C(=O)N1c1ccccc1Cl 1766018 QOMBELISIRSBLW-UHFFFAOYSA-N 437.326 5.366 0 40 IKAB O=C(c1ccc(Cl)cc1)c1ccc(OC(=O)N(c2ccccc2)c2ccccc2)cc1 1803587 JNZRGNMKEPIQMD-UHFFFAOYSA-N 427.887 6.908 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1ccc(Cl)cc1 1927621 SAYDNGYQPJGPSL-UHFFFAOYSA-N 431.966 5.976 0 40 IKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(-c6ccccc6)cc5)c4cc23)cc1 2146351 YENIBFOYDCZKAT-UHFFFAOYSA-N 444.486 7.549 0 40 IKAB biogenic CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)ccc12 2150413 NBKBKRNRMMGSCU-VFNWGFHPSA-N 445.556 5.289 0 40 IKAB biogenic Cn1c(=O)c2c(-c3ccc(C(C)(C)C)cc3)n(-c3cccc4ccccc34)cc2n(C)c1=O 2332888 WHUWVDYSBJCUGJ-UHFFFAOYSA-N 437.543 5.146 0 40 IKAB COc1ccc(/C=C/C(=O)O[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(OC)c1 2634345 ADIKYRPKUGVOHB-AXSXGGAZSA-N 441.483 5.366 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2ccccc2F)c1C 2775855 HKWXUGBFBVHRAP-UHFFFAOYSA-N 444.459 5.016 0 40 IKAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc(C(C)(C)C)c1 2889116 MQQWKTSHVNATLB-UHFFFAOYSA-N 447.950 6.755 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3sc4cc(OC)ccc4c3Cl)ccc21 3315876 YMSZQEVFPYSCQS-UHFFFAOYSA-N 434.948 6.943 0 40 IKAB FC(F)(F)c1cc(Cl)cc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)c1 3771035 HHSOJQAXEACPEZ-UHFFFAOYSA-N 449.207 5.740 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]([C@@H](C)O)[C@@](C)(CCCO)[C@@H]3CC[C@]12C 5047814 WIGPVEOSPKDIBJ-RDAKINMBSA-N 434.749 7.467 0 40 IKAB C[C@H](NC(=S)N=[P@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 5519548 OZNNEBVFCDKOKT-HMILPKGGSA-N 429.570 5.195 0 40 IKAB Cc1ccc(Cn2c([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)nc3ccccc32)cc1 8871504 XZJFYECBSODGBU-IBGZPJMESA-N 449.476 5.932 0 40 IKAB Cc1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CCN(C(C)C)C5)N3)o2)cc1Cl 8923101 UUGBGXKHRVSZFT-NRFANRHFSA-N 441.984 6.165 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 9184053 PMMAIZCTHHMVQD-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9190026 QXKBOPHSPFAFFG-CLOONOSVSA-N 428.532 5.619 0 40 IKAB COc1cccc2c1O[C@@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 9397010 MASKWKLWSWQJQG-OZXSUGGESA-N 432.951 6.714 0 40 IKAB CCc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 9401961 VZCXAZOOZGLAEQ-UHFFFAOYSA-N 430.558 5.710 0 40 IKAB CC(CNC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)(c1ccccc1)c1ccccc1 9446431 MNCFVECUTXZOAK-UHFFFAOYSA-N 441.575 5.053 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccc(C(C)(C)C)cc3)c3ccccc3C)c(=O)[nH]c2c1 9462558 SCWCSFKTEOLMKF-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 9509900 SFXIWNYYMGUFTB-UHFFFAOYSA-N 449.967 5.081 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3cccc(-c4csc(C)n4)c3)c2Cl)cc1 9637591 QDDOFBMAHUUAGC-UHFFFAOYSA-N 436.968 5.886 0 40 IKAB Cn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)c1ccc(Cl)c(Cl)c1 9716131 GZTVUKYNZFIWBL-UHFFFAOYSA-N 442.755 5.329 0 40 IKAB Cc1ccc(Nc2nc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cs2)cc1 9763506 LLAUBFOPUSUHNE-UHFFFAOYSA-N 427.573 6.080 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)n2CC(C)C)c(C)n1-c1nccs1 9912590 LTHIWWQBKYFPGJ-UHFFFAOYSA-N 441.582 5.033 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1 9970957 KYDFGZMMCUNSNX-UHFFFAOYSA-N 428.457 5.324 0 40 IKAB Cc1ccc(C(=O)NCCCCOc2ccc(Cl)cc2)cc1NC(=O)c1ccco1 11084766 CSUOHYGYRZUNKZ-UHFFFAOYSA-N 426.900 5.083 0 40 IKAB Cc1occc1-c1nnc2n1N=C(c1ccc(-c3ccc(Cl)cc3Cl)o1)[C@H](C)S2 11690122 OBAYWOGITOTKKC-NSHDSACASA-N 445.331 6.160 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 11866545 WBJFCCZPHRGGGG-VWLOTQADSA-N 430.887 5.938 0 40 IKAB CCN(CC)CCN(C(=O)c1cccs1)c1nc2ccc(Br)cc2s1 12140844 IXLNKBMZRYXBFW-UHFFFAOYSA-N 438.416 5.109 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193048 SRWOFOQFTSKALH-IFMALSPDSA-N 439.740 6.345 0 40 IKAB COc1ccccc1-c1cc(C(=O)Nc2cccc(C(C)=O)c2)c2cc(Cl)ccc2n1 12380251 LZDULIKSFDGUKH-UHFFFAOYSA-N 430.891 6.019 0 40 IKAB COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)NC1CCCCC1 12705492 JJRDUQQPDVZZPQ-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB CC(C)Cc1nc(Nc2ccc(Cl)c(Cl)c2)c2nnn(Cc3ccccc3)c2n1 13086572 GNPSKWXTBSHXEX-UHFFFAOYSA-N 427.339 5.519 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 13121839 WRJNNWYFOVHNTF-UHFFFAOYSA-N 437.455 5.320 0 40 IKAB aggregator Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 13946070 RZFBEDAXWJNGJK-UHFFFAOYSA-N 427.891 6.704 0 40 IKAB COc1c(C(=O)Nc2nc3c(C)ccc(C)c3s2)cc2ccccc2c1Br 14272454 NRBWOEHVPAVALA-UHFFFAOYSA-N 441.350 6.090 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1C 14833492 PUBCMVUYCWTQJV-MKMNVTDBSA-N 440.952 5.410 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)OCc1ncc(-c2ccc(Cl)cc2)o1 15355491 XFYPDGZNLUXZPE-UHFFFAOYSA-N 435.789 5.107 0 40 IKAB COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3c2C)c1 15729407 VEIOVEDWLKRJMT-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic COc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 16195832 IEPQWABEJLOCGT-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2)cc1 16788706 JABVZGUKFZTNPF-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)cc3n2)cc1 17095985 UICPRKYWTORYDC-UHFFFAOYSA-N 428.536 5.432 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1 19236870 BWCLOGGRAHEESR-VWLOTQADSA-N 435.518 5.052 0 40 IKAB C1=CC[C@H](COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)C=C1 19332125 IORPYSWXBWTLHJ-HHHXNRCGSA-N 436.599 6.214 0 40 IKAB COCCn1c(C)c(CN2CCC[C@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 19690840 HBJSYBFHZATJEJ-SANMLTNESA-N 429.568 5.027 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)c1 19928335 QLYQIBCCVYNFDT-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 20611011 AFNNAGQITMWDRZ-INIZCTEOSA-N 434.927 5.812 0 40 IKAB COc1cccc(-n2c(SCc3coc(-c4ccccc4)n3)nc3ccccc3c2=O)c1 24282638 PXMWTTQPIIXBCN-UHFFFAOYSA-N 441.512 5.342 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)cc1 27792721 XJQFEAHLZIYLJP-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 30945429 YQVCDZDUYGSSGH-LBPRGKRZSA-N 432.178 6.151 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1 32691823 ZODFXPWZLRFAEY-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CCOC(=O)c1sc2ccsc2c1CSc1nnc(-c2c[nH]c3ccccc23)o1 32935086 YNLAPXKVLIBREL-UHFFFAOYSA-N 441.559 5.963 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 33422729 CZTFNRZSGGMGIX-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB Cc1noc(C)c1C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12 35671698 GLFVXYGAWMIWDI-UHFFFAOYSA-N 439.265 5.283 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c(C)c1 44791889 HVNFCZDMXURIPN-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(CSc1ccc(Cl)cc1)NCc1ccc(-c2ccc(Br)cc2)o1 57317030 QAHBSFAOGSEBGA-UHFFFAOYSA-N 436.758 5.771 0 40 IKAB Cc1cccc(-n2nc(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)c3ccccc3c2=O)c1 64949787 YPJRBQZHBBYSTK-UHFFFAOYSA-N 448.404 5.430 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)[C@@H](C)Cn4ccc(C)n4)C3)c(-c3ccncc3)c2c1 72396817 SQFSQRNYHQNALC-UGKGYDQZSA-N 441.579 5.086 0 40 IKAB CCOCCn1/c(=N/C(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2cc(C)ccc21 100873256 WXDVBDHVEQVOGG-RQZHXJHFSA-N 444.556 5.020 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 107023651 LCKNVHMGCAUZIR-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)c1 216473121 FVORSNGSBOTQON-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 222550398 YQJGVAULGVBJQB-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2Cl)cc1 222988456 DRSLTNNRSHHWMZ-JWGURIENSA-N 438.980 5.230 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223346409 MNTPUNXIDYAMGK-JOCHJYFZSA-N 429.004 5.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc4ccccc34)cc2)cc1 224083387 FHUSFPSCYRILDG-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1C 224257674 KHIOKXBBEGKPAI-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccc(C)cc1 224466897 KJMOGLLKBMBHNO-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 224565342 OMFNJIKCPGSUQP-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB O=C(CCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 224566033 KAWFHUFPULAJCJ-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(N2CCCCC2)cc1 224961362 UDWIWTJBKLURCW-UHFFFAOYSA-N 439.353 5.610 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225251382 XNMRQFFUIBKNOW-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB CCCCCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 225532296 AHBUNCPXAKVPMF-UHFFFAOYSA-N 440.956 5.582 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610736 INJIFIHUPQBTOF-UHFFFAOYSA-N 434.030 5.077 0 40 IKAB COC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226341538 DVRPMYGJEFGLCV-GORDUTHDSA-N 434.088 5.660 0 40 IKAB CCOc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1 257294473 QUISCTHCWVIAPD-UHFFFAOYSA-N 444.506 5.625 0 40 IKAB CC(C)[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257298318 RLEMMWAQSJXRNA-TWJGJSOSSA-N 428.956 6.024 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3)cc2)c1 408667820 RJMHAXYJYHBNSE-UHFFFAOYSA-N 446.503 5.078 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(C)c2)cc1 408699749 YZGHBKIBLMDNDX-UHFFFAOYSA-N 448.526 6.047 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1C 408700212 ZOVGBXQQEGRLGL-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CC(C)(C)c1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc(C(C)(C)C)c1O 408984985 JXXNHKUNWPJAST-UHFFFAOYSA-N 438.637 7.024 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)cc1C 409018296 ULYQAOBPBBKGQL-UHFFFAOYSA-N 445.972 5.255 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409021116 YCEITTJXKXURHS-MDBUFAAASA-N 449.931 5.902 0 40 IKAB Cc1cc2c(cc1-c1ccnc(Nc3cc(Cl)cc(Cl)c3)n1)NC(C)(C)C[C@@H]2C 618257499 YCHMBAQHRTZOTG-AWEZNQCLSA-N 427.379 7.200 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2cccnc2)c1C 1328633 FOVGXIMIMLPRKW-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)cc12 1371656 XMHICXMAIRXAQS-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB Cc1ccc([C@@H](C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2ccccc2C)o1 1376681 WFQSYHIKVKRHIR-DEOSSOPVSA-N 448.544 5.184 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 1400042 AZOWOCXCVIHOGL-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB O=C(OC[C@H]1[C@H](COC(=O)c2ccccc2Cl)C1(Cl)Cl)c1ccccc1Cl 1751532 ZXIGIRHSXSWKBO-KBPBESRZSA-N 448.129 5.427 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 1916385 VBPQKEMRKXPCKS-UHFFFAOYSA-N 442.584 6.792 0 40 IKAB CC(C)CCOc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)c1 2050807 HXNKFQMSGLTGFV-UHFFFAOYSA-N 427.500 6.137 0 40 IKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Cl)c(Cl)c4)cs3)c(=O)oc2c1 2072345 QFHLRYYIRIGWKQ-UHFFFAOYSA-N 432.284 5.816 0 40 IKAB CC(C)Cc1nc2sc3c(SCc4ccccc4Cl)ncnc3c2c2c1CCC2 2220120 NTLKYFXRXPTTOT-UHFFFAOYSA-N 440.037 6.872 0 40 IKAB CCOc1ccc2c(c1)-c1c(sn(-c3ccc(Br)cc3)c1=S)C(C)(C)N2 2278235 AORRBAZEIYMYHM-UHFFFAOYSA-N 447.423 6.757 0 40 IKAB CCOc1ccccc1[C@H]1SCC(=O)Nc2c1c(-c1ccccc1)nn2-c1ccccc1 2443919 GAPYMQQAQIIGEK-RUZDIDTESA-N 441.556 5.713 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1ccc(C)cc1 2449291 HTXUKUBFTALNFY-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1cc(C(=O)CSc2ccc(F)cc2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 2652980 UJMMKJWHFGOTFK-UHFFFAOYSA-N 449.551 5.006 0 40 IKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccc(Oc2ccccc2)cc1 3253229 CHKCTPBFQBLZBM-UHFFFAOYSA-N 430.287 5.510 0 40 IKAB O=C(OCC(=O)N(C1CCCCC1)C1CCCCC1)c1c2c(nc3ccccc13)CCCC2 3274923 SGBUJVMZHXTYKI-UHFFFAOYSA-N 448.607 5.764 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 3486611 UIRVJMBFILBPLS-IBGZPJMESA-N 434.923 5.623 0 40 IKAB CC[C@H](c1nnc(SCC(=O)c2ccc(Cl)s2)n1Cc1ccccc1)N(C)C 3551390 DGCOOCMDJLGKEY-OAHLLOKOSA-N 435.018 5.029 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)c1 4122982 LXOHJBXZZMMZIW-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCOc1ccc(-c2csc3ncn(Cc4ccc(Cl)cc4Cl)c(=O)c23)cc1 4290827 GPBHJQAEHJMFHH-UHFFFAOYSA-N 431.344 5.879 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1 4660828 AJJVEZHOCKLQBO-SFHVURJKSA-N 425.594 6.508 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 6074289 DJAGJSHXDYBRBA-UHFFFAOYSA-N 447.629 6.278 0 40 IKAB Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3cccc(Cl)c3)c12 8612483 FOJXFMOMDPJUPE-UHFFFAOYSA-N 448.858 5.678 0 40 IKAB aggregator O=C(c1ccc(F)cc1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 8782080 UYRVWEFHWMMSIX-UHFFFAOYSA-N 441.289 6.264 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 8817110 QQSCPTWWKANGPZ-ZCYQVOJMSA-N 437.370 7.359 0 40 IKAB Cc1ccc(O)c(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(Cc2ccco2)C3=O)c1 8845256 DELIXPQEJZCUSI-RUZDIDTESA-N 427.504 5.553 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)cc1 8916685 ACIRSAWPUREQOJ-UHFFFAOYSA-N 441.940 5.160 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=O)cc1 8918496 HSVRUODOWQRXHM-UKILVPOCSA-N 437.499 5.050 0 40 IKAB biogenic CCCCn1c(SCc2csc(-c3cccc(OC)c3)n2)nnc1[C@@H](CC)N(C)C 8941618 YJNCJRKSTOJOBB-LJQANCHMSA-N 445.658 5.515 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4cc(C)ccc4C)cc3O)n[nH]c2C)cc1OC 9130691 VKSAOHSDRDFEKR-UHFFFAOYSA-N 444.531 5.971 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(-c3csc(NC(=O)c4ccc(C)cc4)n3)c2)cc1 9354727 FQJKMJMLHMTQRO-UHFFFAOYSA-N 427.529 5.932 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1cc2ccccc2cc1OC 9367799 GQVCOINEDGRPIS-UHFFFAOYSA-N 431.513 6.006 0 40 IKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1 9422893 PONKNTRJZQTVSG-NRFANRHFSA-N 436.309 5.179 0 40 IKAB COc1ccc(-c2nnc(SCCCC(=O)c3ccc(Br)cc3)o2)cc1 9491406 IFAZIULRHGCHGQ-UHFFFAOYSA-N 433.327 5.263 0 40 IKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)c1 9660232 HTWQVJVISLRELB-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB biogenic O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1ccccc1Br 9708227 HQUAFRKMXARAKD-LJQANCHMSA-N 427.367 5.044 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccc4c(c3)NC(=O)[C@H](C)O4)c2c1 9871680 VTLMSBPDBAAREX-HNNXBMFYSA-N 445.544 5.496 0 40 IKAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)c(OC)c1 12344186 WSZBUVRGPZPMNC-OAQYLSRUSA-N 446.334 5.449 0 40 IKAB CCOC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1OC 12413601 PICAMYQGQPFUSW-UHFFFAOYSA-N 441.487 5.731 0 40 IKAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)CCCc3ccccc3)n2)c1 12442123 VKQLHILUIPUHIL-UHFFFAOYSA-N 432.549 5.274 0 40 IKAB COc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)C)cc1)=N2 12707481 QODBRHSGBIIUCO-UHFFFAOYSA-N 429.520 5.270 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccc(OCc2ccccc2)c1 12773625 XKLFNAJTZJUCBM-UHFFFAOYSA-N 438.409 5.117 0 40 IKAB CCc1ccc([C@H](C)NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 13062866 NWXVKJLIURRQPU-SFHVURJKSA-N 430.548 5.100 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C)c1C1=NN=C(Nc2ccc(Cl)c(Cl)c2)SC1 13063365 WNBKKVQCWLKBQA-UHFFFAOYSA-N 425.341 5.034 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc3c(s2)CCCC3)sc(-c2ccccc2)c1C 13071888 SYIWGBIPIFOMLS-UHFFFAOYSA-N 425.575 6.093 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@@H](C)c1ccccc1 13512019 CPEVTSMWOOCZRT-KRWDZBQOSA-N 432.549 5.495 0 40 IKAB COc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 13547125 FNZMKLDSRNFEAD-UHFFFAOYSA-N 431.601 5.904 0 40 IKAB COc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 13786157 SWPZOBJVMLVQAG-WIYYLYMNSA-N 441.350 5.762 0 40 IKAB CCc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14269786 LXEXIMYRHPMYKP-FMIVXFBMSA-N 445.371 6.342 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(CC(=O)Nc2cc(C)cc(C)c2)C2CCCCCCC2)c1 14358752 RPAOPMNKEXEPQU-UHFFFAOYSA-N 449.639 5.912 0 40 IKAB Clc1ccc(C2=NN(c3cccc(Cl)c3)[C@@H](c3ccc(Br)cc3)C2)cc1 15134578 ZFZFIPCBJCQXCI-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 16362405 QEYCMCVWVFGUKD-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Brc1ccc(-c2cn3cc(Br)cc(Br)c3n2)cc1 16429605 GKQQDDLMNWKUIQ-UHFFFAOYSA-N 430.925 5.289 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)c(Cl)c1 17095240 RNLSYLFCSHRJGF-ZZXKWVIFSA-N 427.114 7.212 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19083979 XXAFHFMJEJLWAC-MJQMVNBJSA-N 438.538 5.063 0 40 IKAB Cc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc3c(c2)OCO3)cc1 19117351 RTUZCMYYJFBOFL-NDEPHWFRSA-N 433.511 6.111 0 40 IKAB Fc1cccc(Nc2noc3c2CN(Cc2cccc(OCc4cccnc4)c2)CC3)c1 19330989 GSIALHFRINTAFX-UHFFFAOYSA-N 430.483 5.090 0 40 IKAB CCN(C(=O)C1CCCCC1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3nccs3)cc2)C1 19712681 DQHRTVXDXYXTNE-RTWAWAEBSA-N 441.597 5.044 0 40 IKAB O=C(CSCc1cc(-c2ccc(Cl)cc2Cl)no1)N1CCC(c2ccccc2)=N1 23103438 PPCRVDFXSJNWAF-UHFFFAOYSA-N 446.359 5.518 0 40 IKAB COc1cc(/C=C/c2ccc3ccccc3n2)ccc1OCc1cccc(C(F)(F)F)c1 25424621 AKJCMMPMHOOELS-FMIVXFBMSA-N 435.445 7.012 0 40 IKAB COc1ccc(CN(C(=O)c2oc3c(C)cc(C)cc3c2C)c2ccccn2)cc1OC 27581188 ONYKYRBSZCIHMQ-UHFFFAOYSA-N 430.504 5.617 0 40 IKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1ccc(C(F)(F)F)cc1 32578560 UILVADMHYFKOGB-UHFFFAOYSA-N 439.393 5.440 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@H](C)NC(=O)c1ccccc1C 34795311 ALQPLEXNCYJLFY-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB Cc1ccc2c(c1)c1ncn(C[C@@H](C)c3ccccc3)c(=O)c1n2Cc1ccccc1F 35400796 DHIWEWUAENDGMZ-LJQANCHMSA-N 425.507 5.651 0 40 IKAB Cc1cc(C)n(C[C@H](O)Cn2c(-c3ccccc3)c(-c3ccccc3)c3ccccc32)c(=O)n1 36624823 UJIYZTFDPNZRJR-DEOSSOPVSA-N 449.554 5.210 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 41004287 AFFZQAHLBRYCLT-SJCJKPOMSA-N 439.364 5.501 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1-c1nc2ccccc2s1 57313851 PYRCXVYXXUFOBL-UHFFFAOYSA-N 444.600 7.057 0 40 IKAB Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CN4C[C@@H](C)C[C@H](C)C4)cc23)c1 57740317 FJTBGHSWZORENE-PMACEKPBSA-N 426.564 5.167 0 40 IKAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 58226329 KXPUZYYTCVIPBP-OWBHPGMISA-N 438.512 5.205 0 40 IKAB CCOc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261462 XPNJJYZFGRLDSQ-UHFFFAOYSA-N 429.911 5.609 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)Nc3ccccc3CN3CCCC3)sc3ccccc23)C1 72352607 WVUNHTCSCQSAQR-HXUWFJFHSA-N 447.604 5.085 0 40 IKAB Cc1cccnc1Nc1ccc([C@H]2CCCN2Cc2cc3ccccc3nc2N(C)C)nc1 72353097 RHYANFVXJGSIAT-RUZDIDTESA-N 438.579 5.480 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)o2)cc1 95471938 MTIORSAGHFAHOQ-UHFFFAOYSA-N 438.593 6.321 0 40 IKAB COc1ccc(CNC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 96344037 MOSVBPMISULXKV-VWLOTQADSA-N 446.591 5.197 0 40 IKAB Cc1oc(-c2ccccc2)nc1COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102342267 QWDHMGLROFVFJK-KILAXVPQSA-N 430.342 5.427 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(OC)ccc1OC 102710058 SFWRWQOJEDGSAH-VWLOTQADSA-N 434.536 5.906 0 40 IKAB Cc1ccccc1N1C(=O)N[C@H]2c3ccccc3O[C@@]1(C)[C@H]2C(=O)Nc1ccc(Cl)cc1 106937635 NGTPIJGBGXCOCC-SLSDLSHTSA-N 447.922 5.283 0 40 IKAB Clc1cccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)c1 107997940 PHTUHBBWFQSCJU-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nnc1-c1ccc(Cl)cc1 109021822 ROUWYQVWILIPPW-UHFFFAOYSA-N 447.048 5.722 0 40 IKAB CCCC[Sn](CCCC)(CCCC)CCCNCCCN(C)C 195782176 ONRTWTHXKFVKHX-UHFFFAOYSA-N 433.313 5.767 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222751187 DEOMGFRFQGVRRS-FQEVSTJZSA-N 426.626 5.118 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 223086033 IAIBNOUSMSINCD-IBGZPJMESA-N 428.532 5.088 0 40 IKAB Fc1ccc(CCCNC(=S)Nc2ccc(Sc3ccc(Cl)cc3)nc2)cc1 223969747 GVSRUYSDUMGBMJ-UHFFFAOYSA-N 431.989 5.945 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc2ccccc12 224300756 ZCNBYFWBUJJVCL-UHFFFAOYSA-N 425.528 6.803 0 40 IKAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224503363 ROZMRAFRQUTLBF-UXHICEINSA-N 441.398 5.404 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccc(Cl)cc1 224504713 VBJOIGMGVFCYET-UHFFFAOYSA-N 437.967 6.695 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1C 224614672 AZJNBVNXBIWLCP-DQEYMECFSA-N 440.572 5.372 0 40 IKAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224623367 MPSXZJNFZYQPHR-MHZLTWQESA-N 442.603 5.195 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c(Br)c1 224877195 QTQGGHIAYJTYHJ-UHFFFAOYSA-N 432.236 5.489 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3OC)o2)cc1 224920051 UVZPDIOKGFKZBK-UHFFFAOYSA-N 428.488 5.977 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225048059 SXPQWRJFTABRMF-FCHUYYIVSA-N 430.592 5.413 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225316222 VNFPTYAZYZKSAB-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c(C)c1 225767268 GYFVNXQKOASCLS-OAQYLSRUSA-N 425.395 6.142 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCOCC2)ccc1O[C@@H](C)CC 225772203 SXSSZZKECKXRGF-IBGZPJMESA-N 439.552 5.036 0 40 IKAB COC1CCN(c2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)CC1 244909646 AOVZSQQEABPXLY-UHFFFAOYSA-N 428.576 5.254 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cnccc23)CC1)C1(c2ccccc2F)CCOCC1 257284597 PDIRWCBBXJGQBU-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260778605 RUQXSPULNSNIPD-HPEXNQPKSA-N 438.778 5.095 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 408560199 DIUDLIGGFZHPLU-UHFFFAOYSA-N 430.577 5.161 0 40 IKAB COc1ccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)cc1 408577849 UVBGITPLTPHFDO-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 408647519 UHQYXBLULZTBND-UHFFFAOYSA-N 428.463 5.399 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(C)c3C)c2C)cc1 408664537 CFGMVJSCDBGLAD-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)c1 408698098 NPLXCXCBIRRIIK-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB N=C1S/C(=C\c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1c1ccc2c(c1)OCO2 408975388 AXWHKUKZYQGWSP-HGNJTZEFSA-N 426.400 5.009 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccc(F)cc2)=N[C@H]1c1ccccc1 408990996 PGZOFRXZRJPDRI-QHCPKHFHSA-N 446.547 5.734 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409077453 FDSBUKOIGWEFEG-OOIIIRTPSA-N 433.938 5.089 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccncc2)c1 409102780 WAGDAFVRPWDHFH-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)c(C)c1 409179090 PSTUBPAFOLFQII-XHIKKIPFSA-N 436.599 7.161 0 40 IKAB COc1cc(OC)c(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1Br 409204660 JETLVWCDPYARBA-LDADJPATSA-N 436.305 5.685 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccncc2)CC1 585166514 QHSJLXKLTDMNGR-UHFFFAOYSA-N 427.592 5.018 0 40 IKAB CCc1ccc(Oc2coc3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3c2=O)cc1 645458 WFNFOCWVUHZNRV-UHFFFAOYSA-N 446.455 5.384 0 40 IKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1cc2ccccc2oc1=O 936147 ZAOLLRVZEGQDIH-UHFFFAOYSA-N 431.451 5.513 0 40 IKAB CC(C)C[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 943926 LFFACLDHCGAAMI-KRWDZBQOSA-N 438.833 5.008 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1OC 1013142 RHCCCKBUAJNGMP-LZYBPNLTSA-N 442.295 5.386 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)cc2c1 1327203 RHYUDZWSLSYLNT-UHFFFAOYSA-N 447.485 5.603 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 1341604 JDYHUVWRMSSYNU-VWLOTQADSA-N 446.547 5.434 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1352841 FUEMEGYZCYYPEC-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB COc1c(C)cnc(Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)c1C 1355187 HGAHKVBNBHOJGL-UHFFFAOYSA-N 435.499 5.205 0 40 IKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1CCc1c[nH]c2ccccc12 1500560 OCVRUDCZZOJCCV-UHFFFAOYSA-N 428.102 5.620 0 40 IKAB C[C@@H](C(=O)Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(=O)c2ccccc2)c1 2069552 JGTOQUVFBARBTO-HXUWFJFHSA-N 433.507 5.891 0 40 IKAB CCCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2266077 YCSQIXIZLUZSLT-UHFFFAOYSA-N 444.644 6.413 0 40 IKAB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1ccccc1Cl 2285262 AMEZWVKSWMCSLE-UHFFFAOYSA-N 441.506 5.632 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCc2ccc(F)cc2)cc1 2721832 WBAHMCYVCRWEIH-UHFFFAOYSA-N 429.494 5.507 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 2737228 ZUZBRSHBRVJLAO-KBPBESRZSA-N 435.973 5.417 0 40 IKAB CC(C)c1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2887587 FZENANRPGRZZOA-UHFFFAOYSA-N 434.392 6.215 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(C)cc1 2890282 UNUOVCHSUPVQHH-JOCHJYFZSA-N 438.955 5.032 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccccc3F)coc2c1)c1cnc(Cl)c(Cl)c1 3319771 IDKXGNJPTRUDSN-UHFFFAOYSA-N 446.217 5.645 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)cc(C)c2)cc1 3655521 QWTUYDXWCRILDA-UHFFFAOYSA-N 429.472 5.307 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Cl)cc2)cs1 3766629 QHVTUVDKIMBKRO-UHFFFAOYSA-N 440.277 6.988 0 40 IKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)CSc3nnc(C)s3)c3ccccc32)cc1 4181409 SNNWIBXDGDALNQ-XMMPIXPASA-N 437.634 5.769 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)[C@@H]2[C@@H]1OC3 4721048 BZNIIOGSANMIET-CSVDFOEMSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro CCOC(=O)c1c(NC(=O)CSc2ccc3ccccc3n2)sc2c1CC[C@H](C)C2 6159089 VXKGDTCHBXUYQU-AWEZNQCLSA-N 440.590 5.329 0 40 IKAB O=C(NCCc1ccccc1)/C(=C\c1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 8385792 RAHRUVMBDKOWFC-PXLXIMEGSA-N 439.342 5.123 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)c2c(-c3cccc4ccccc34)nn(C(=O)/C=C/c3ccccc3)c21 8442247 HDZWLZAXCRWLFQ-CFZJULNLSA-N 434.583 7.694 0 40 IKAB COc1ccc(/C=C/c2ccc3cccc(OCc4ccccc4)c3n2)cc1OC(C)=O 8453009 DGMFNWGNFOKJKD-SDNWHVSQSA-N 425.484 5.918 0 40 IKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 8497296 CYCORSHQQJETLP-MPVQEXEOSA-N 427.991 6.753 0 40 IKAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 8754709 CCQWPQBLIKHMPH-QHCPKHFHSA-N 439.559 5.194 0 40 IKAB FC(F)(F)c1cccc(Cn2c3c(c4ccccc42)CCc2cc4ccccc4nc2-3)c1 8763256 JNUNGJDBYNLVMF-UHFFFAOYSA-N 428.457 7.022 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 8831408 WUKIXDMMUZYADX-UHFFFAOYSA-N 441.940 5.321 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc4cc(Cl)ccc4s3)cs2)cc1 8880962 ZGOGNFCADWLFRW-UHFFFAOYSA-N 446.022 6.188 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccc(Cl)cc2)cc1 8888288 JPDWBJVRMLRCSG-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 9159259 VIPGAIURSIAFSV-AHWVRZQESA-N 432.951 6.714 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)cc1 9292944 PVVLJVYVIHZEQJ-HSZRJFAPSA-N 437.587 6.147 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccc(Cl)cc1 9328053 WSOHAMCXJQQQEH-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccccc1Cl 9355052 KFMXQLFXMDMAMG-UHFFFAOYSA-N 443.315 5.323 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)cc1 9414092 SMANAQJQVVCZDZ-UHFFFAOYSA-N 428.488 5.655 0 40 IKAB COc1ccccc1NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 9467964 HWOOHCORBZVPSY-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1c(F)cccc1F 9476793 ASSIMMOBQPRIRJ-LBPRGKRZSA-N 439.491 5.159 0 40 IKAB Cc1c(Cl)cnc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1Cl 9476809 UNNFANRPFGYGTM-UHFFFAOYSA-N 440.381 5.083 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(-c4ccc(C(C)(C)C)cc4)cc(=O)c3c2)cc1 9572648 GIRGUUSKIBFCFP-UHFFFAOYSA-N 447.556 5.867 0 40 IKAB biogenic CCc1ccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)cc1 9663893 HGBVIJFUWDKJTD-UHFFFAOYSA-N 426.925 5.238 0 40 IKAB COc1cc(NC(=O)CCc2c(-c3ccccc3)[nH]c3ccc(F)cc23)cc(OC)c1OC 11596845 RMWORJOEGOOOAN-UHFFFAOYSA-N 448.494 5.571 0 40 IKAB COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 12193989 RSQJJSXNXBRMGB-ISKFKSNPSA-N 439.342 6.553 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N(c2ccccc2)c2nc(C)cs2)c(C)c1 12516316 CLKFTEPGQMLHFQ-UHFFFAOYSA-N 435.578 5.106 0 40 IKAB CCCCCn1cnnc1S[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 12772693 SPVXWGGRQKXBCX-KRWDZBQOSA-N 426.611 5.739 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1cc(Cl)sc1Cl 12983853 CMHURDWJJFEHSG-UHFFFAOYSA-N 430.407 5.609 0 40 IKAB CC(C)c1ccc(N2C[C@@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 13037026 IMEWADXYDRYSFQ-INIZCTEOSA-N 426.314 5.143 0 40 IKAB O=C(CSc1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1)NCc1ccco1 13061015 WMIYVCROYWHELW-UHFFFAOYSA-N 435.332 5.247 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 13139656 ZLWQGNABQLEYHG-RPLLCQBOSA-N 448.570 5.296 0 40 IKAB Cc1csc(NC(=O)Cc2c(C)c3cc4c(-c5ccccc5)coc4cc3oc2=O)n1 13552656 DBXHMMSJCKNYOT-UHFFFAOYSA-N 430.485 5.461 0 40 IKAB biogenic COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3Cl)=NN12 13770922 ZYSNQWMPQUZZHS-OFNKIYASSA-N 425.315 6.244 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 13946064 HFLGTXPGXJSWDT-UHFFFAOYSA-N 432.589 6.517 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)c1 14270856 WKGJRYKQDXFGAP-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 14272382 DBCNISIFZOMXMX-UHFFFAOYSA-N 448.950 6.870 0 40 IKAB CC(=O)c1cccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 15778731 RXLZHJBMXRVIKI-OAQYLSRUSA-N 446.894 5.504 0 40 IKAB CC[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Br)c(O)c(OC)c2)N3)C1 15945412 PFOWIHQBYOLWEJ-XYZCENFISA-N 437.359 5.169 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947832 CCBMFYYGXZOHHN-APBUJDDRSA-N 433.360 6.869 0 40 IKAB Cc1ccc(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 16685430 XRXDQTLCSANPBH-MRXNPFEDSA-N 428.989 5.135 0 40 IKAB Cc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1 16741412 KAQUPRBIKBECPV-KRWDZBQOSA-N 448.009 5.001 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nc2c(-c3ccccc3)csc2c1=O 16845209 IPXFLPFLJXWWEH-UHFFFAOYSA-N 439.537 5.015 0 40 IKAB O[C@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957564 JEOQAKYOQCNWOA-BEFAXECRSA-N 435.858 5.111 0 40 IKAB Cc1ccc(C)c(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccco2)c1 17026432 NDGPNQWWBWXEIP-UHFFFAOYSA-N 435.568 6.267 0 40 IKAB CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc2ncccc12)c1ccccn1 19082771 ZBVJBBPYESHMOH-ATIYNZHBSA-N 444.623 5.668 0 40 IKAB C[C@@H](Cc1cccs1)C(=O)N1CCC(c2nc3ccc(F)cn3c2NC(C)(C)C)CC1 19457126 QDLZMQBAZWKAQL-INIZCTEOSA-N 442.604 5.330 0 40 IKAB CC1=C(C)[C@@H](OC2CCN(Cc3ccccc3)CC2)N(CCc2ccc(Cl)cc2)C1=O 20146041 PZOBURSZJVEHCU-AREMUKBSSA-N 438.999 5.068 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 20150972 VJHMHKZNGSPPJR-VQHVLOKHSA-N 432.259 5.612 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183480 DUCZRGSVIVTJBP-UHFFFAOYSA-N 431.461 7.185 0 40 IKAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2c(C)cccc2C)cc1OCC 22072045 OXCYJPZSXIFNMV-UHFFFAOYSA-N 433.552 5.212 0 40 IKAB COc1ccc([C@@H]2CCCCCN2Cc2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1 23004317 OJOVPCLKDPRTOL-FQEVSTJZSA-N 440.544 5.055 0 40 IKAB CCn1ncc2c(C(=O)Nc3ccc(NC(=O)C(C)(C)C)cc3)cc(-c3cccs3)nc21 25388724 SJXAGIXNYISQNZ-UHFFFAOYSA-N 447.564 5.417 0 40 IKAB COc1ccc(NC(=O)C[C@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)c(OC)c1 26503786 YMGUVUYNQLODFW-XMMPIXPASA-N 433.548 5.960 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 32745130 WOUAZYDARBPUBA-UHFFFAOYSA-N 448.563 5.139 0 40 IKAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4cccc(Cl)c4)c23)C1 33012189 LEVOLBVQAUMCJO-AWEZNQCLSA-N 429.973 5.094 0 40 IKAB CC(=O)Nc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 33736340 LWFMLDFCKXNYGF-UHFFFAOYSA-N 438.361 5.293 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 35104984 FPHZAOAQYNEJGS-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB Cc1ccc(C)c(Cn2cnc3c(-c4ccc(Br)cc4)csc3c2=O)c1 38653536 CGQLXZCLXGBLKF-UHFFFAOYSA-N 425.351 5.553 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38860412 NTVFVNZGVRAKBS-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccccc1 39844036 NFRIRELIYPSONJ-UHFFFAOYSA-N 426.444 5.065 0 40 IKAB CCOCCCNC(=O)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccc(F)cc1 45943813 WLMWPUZKMMVCPS-UHFFFAOYSA-N 442.943 6.065 0 40 IKAB C[C@@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 61967353 LBMQWGLSKLHDSA-ONEAYSBLSA-N 445.606 7.163 0 40 IKAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 72302908 YEEZVDGHAOCNSS-DEOSSOPVSA-N 438.930 5.491 0 40 IKAB CC(=O)Nc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c1 72401025 LAFFRXBMJHEVGR-XMMPIXPASA-N 445.563 5.079 0 40 IKAB O=C(c1ccccc1Br)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177450 FXTYUKWZPIVOGX-ZDUSSCGKSA-N 446.345 5.127 0 40 IKAB COc1cc(C(=O)NCC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc(OC)c1OC 100887023 BIAXFTFIYGOAAI-MPIQECJBSA-N 449.591 5.289 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OCC 106706882 CVVKOSFPDLYOFF-JCMHNJIXSA-N 425.550 5.809 0 40 IKAB C[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C(C)(C)C)cc1 218904285 NVZGKWSRZVHJMB-MRXNPFEDSA-N 440.381 6.156 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223701392 KALWQWLDMNEXTG-QFIPXVFZSA-N 432.967 5.054 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 223782714 PLLXHFBGUNMPRJ-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)c1 223994552 JHYKUIOMAWLARN-UHFFFAOYSA-N 430.621 6.322 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224444821 AJPYFDHVYPSXQU-XZOQPEGZSA-N 433.483 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(Cl)c(C)c1 224545909 WXSXHBKFZZJAAT-UHFFFAOYSA-N 437.923 6.081 0 40 IKAB CCN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224940943 VCBZJZBZOVWKFW-UHFFFAOYSA-N 443.577 5.625 0 40 IKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C 224955598 BMWKUBVQKBHMBR-VXKWHMMOSA-N 441.000 5.359 0 40 IKAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 225226536 FBXYIGYHHBEXIX-UHFFFAOYSA-N 433.423 5.647 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225442091 RJTJNYQUMOMNMZ-FCHUYYIVSA-N 436.640 5.291 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225686475 CNVBVOMRYLBELB-MRXNPFEDSA-N 444.906 5.956 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1OC 225936087 QCWOXTJHJDDQSY-UHFFFAOYSA-N 437.539 5.871 0 40 IKAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 226010549 HNBVMZQZUBKJSY-GOSISDBHSA-N 439.629 5.657 0 40 IKAB O=C(Cc1ccc(Br)cc1)N1c2ccccc2Sc2ccc(Cl)cc21 226362962 YUUKADNLPVYMOM-UHFFFAOYSA-N 430.754 6.475 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](NC[C@H](O)COc3ccccc3)CC[C@H]12 245232361 ULILXULMDVDQAM-KTKJEWAJSA-N 425.657 5.817 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@@H](C)C4=C[C@H]32)CC1 247882597 RSUMDFBTCAAZNY-JPZSOZPVSA-N 443.031 5.085 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC2CCCC2)CC1 257296422 RCUNGGGTMAWIEI-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Br)c(C)c2C)CC1=O 408644335 SOXODGWNFCCBSY-CQSZACIVSA-N 435.749 5.019 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675407 IJJDZRGRJRNDJG-UHFFFAOYSA-N 441.289 5.551 0 40 IKAB Cc1cccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)c1 408692950 ZCTOVJCJLZWXJZ-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 408696816 CDZVUHOUVGCTNC-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408972098 QCKOYMKUKMSAMP-UHFFFAOYSA-N 427.331 5.638 0 40 IKAB Cc1cccc(COc2ccccc2C[C@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 409161836 QEWMUGGKPZFAQC-HSZRJFAPSA-N 435.520 5.520 0 40 IKAB COc1ccc([C@H](NC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)C(C)C)cc1OC 604418809 FIEISPJWWPEVGB-XMSQKQJNSA-N 439.581 5.557 0 40 IKAB COc1ccccc1-c1cc(C)nc([C@@H]2CN(C(=O)CCCc3ccc(F)cc3)CCO2)c1 2037834564 QJZWBNKNCLMANO-SANMLTNESA-N 448.538 5.128 0 40 IKAB CC(C)(C)n1ccc([C@@H]2C[C@@H](COc3ccccc3)N[C@H]2c2ccc(C(F)(F)F)cc2)n1 2037844026 LBDQTEDJCZPDKI-RRPUWOKSSA-N 443.513 5.923 0 40 IKAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Br)cc2)nc2ccccc12 996427 RLRJIIBYGMOYBN-UHFFFAOYSA-N 443.304 5.793 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 1039289 WCLIDBLQACJZMW-UHFFFAOYSA-N 440.546 5.090 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2)cc1 1224384 SPNJBMMPFIYEGF-UHFFFAOYSA-N 427.529 5.278 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1ccccn1)c1ccc(F)cc1 1339003 DGXLLBVCQRLGHA-JOCHJYFZSA-N 437.540 5.119 0 40 IKAB COc1ccc([C@H]2c3cc(OC)c(OC)cc3CCN2C(=S)Nc2ccccc2)cc1 1443620 PTXNJDNFUSTBJV-DEOSSOPVSA-N 434.561 5.057 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3sc4cc(OC)ccc4c3Cl)n2)cc1 1470134 IDWOUIVLDPAUMG-UHFFFAOYSA-N 430.938 5.948 0 40 IKAB CCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)cc(Cl)cc23)cc1 1772983 QUVFPQDRYNGCIP-UHFFFAOYSA-N 426.900 5.684 0 40 IKAB CCCCCCOc1ccc(-c2ccc(-c3noc(-c4ccc(CC)cc4)n3)cc2)cc1 2054782 SNQNVDTUSXSEHP-UHFFFAOYSA-N 426.560 7.592 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3cc(C)ccc3n2)cc1 2078763 LQOUVIDBOKOKSF-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB O=C1C[C@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1ccc(Br)cc1 2412144 XUBDISAOUQMXHB-GCKKQHTFSA-N 444.328 5.380 0 40 IKAB Cc1cccn2c(=O)c3cc(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)sc3nc12 2466908 KBHUIRMBGYDTRC-UHFFFAOYSA-N 437.830 5.142 0 40 IKAB C[C@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2617429 WOWMQSUAZYBCLC-NSHDSACASA-N 428.699 5.180 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12 2741279 JZQWXCDNZFIMOM-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012863 QXMAFEYIHKQMRE-UKRRQHHQSA-N 445.228 5.696 0 40 IKAB Cc1cc(SCC(=O)OCC(=O)c2ccccc2Cl)c(C)cc1Br 3240433 GNUVRERAHRQBEP-UHFFFAOYSA-N 427.747 5.238 0 40 IKAB O=c1cc(CSc2ncnc3sc4c(c23)CCC4)nc2scc(-c3ccccc3)n12 3401270 DKPIOOVLBJFUJX-UHFFFAOYSA-N 448.598 5.209 0 40 IKAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 4073920 BZNIIOGSANMIET-LTPUILILSA-N 442.728 7.238 0 40 IKAB biogenic O=C(Nc1ccccc1C(F)(F)F)c1nc(SCc2ccccc2F)ncc1Cl 8917036 KNCJVNLPNULKFO-UHFFFAOYSA-N 441.837 5.833 0 40 IKAB C[C@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923577 UXAQLWXPNRLOML-OYLFLEFRSA-N 440.326 5.247 0 40 IKAB CCOc1cc(-c2ccc(OC)c(OC)c2)c/c(=N\c2ccccc2N)c2c(C)oc(C)c12 8964812 XCGXHBROELKGQD-QUPMIFSKSA-N 444.531 5.947 0 40 IKAB biogenic C[C@H]1CC[C@@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)C1 9059410 NFBZLNYJLUCADR-UONOGXRCSA-N 435.515 5.000 0 40 IKAB O[C@@H](COc1ccccc1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 9244802 XBHJIMQNBYEHJC-LXFBAYGMSA-N 444.619 5.822 0 40 IKAB O=c1[nH]c(CSc2nnc(-c3ccco3)n2C2CCCCC2)nc2ccc(Cl)cc12 9257802 RYTTVOGDASSHGP-UHFFFAOYSA-N 441.944 5.226 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(SC)cc3)C2)c2ccccc12 12039844 XIOSLFFWDWFRFP-KRWDZBQOSA-N 434.561 5.061 0 40 IKAB O=c1c2c(nc(SCc3ccc(Cl)cc3Cl)n1CCc1ccccc1)CCS2 12140527 JQAYRNPWOSSHTI-UHFFFAOYSA-N 449.428 5.733 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3ccc(F)cc23)c1 12716323 BTEJYULUEUBFCV-UHFFFAOYSA-N 435.499 5.923 0 40 IKAB CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@H]6CCCCO6)CC[C@]5(C)[C@@H]4CC[C@]23C)OCCO1 12864717 DNWMPSZEZKPTQK-IBILOWCXSA-N 444.656 6.240 0 40 IKAB biogenic C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 13113183 QNIZSLJTQKKAMO-HNNXBMFYSA-N 428.561 5.614 0 40 IKAB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccccc1Cl 13509688 MFHNCNYIHBHWNG-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB Cc1ccc(-c2cc3nc4c(c(NC5CCN(Cc6ccccc6)CC5)n3n2)CCC4)cc1 13562636 ZCXQXBDMVIMGNV-UHFFFAOYSA-N 437.591 5.270 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1 13583492 SAMXZFHMORFQJO-UHFFFAOYSA-N 434.561 5.204 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c1 14155773 IHGUDWYHAUPYIG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 14271875 YMMJVEZRNQCRKV-UHFFFAOYSA-N 444.044 6.001 0 40 IKAB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413079 XRVSENZFNOGMKS-MHZLTWQESA-N 426.560 5.856 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccco3)cc1)oc1ccccc12 15600596 ODJQUYQWHFNOOV-UHFFFAOYSA-N 426.428 5.692 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 15947587 DIEFXTGMTRFZPK-JLCFBVMHSA-N 438.980 6.534 0 40 IKAB COc1cc(CNCCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 16195531 LYBMDGFGOWQLST-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB C[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 16608440 YXOHRYLHCVUPMD-VVIORFSUSA-N 442.648 6.359 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccccc4Cl)c3)nc2c1 16610752 JJQCNXWMFNQMOQ-INIZCTEOSA-N 434.923 6.679 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccc(C)cc1 16789211 BZHVCPXRCRUFMU-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB O=c1[nH]c(-c2ccccc2OCc2ccc(F)cc2)nc2sc(Cc3ccccc3)cc12 19636051 KTLTVRLPSDBAID-UHFFFAOYSA-N 442.515 5.961 0 40 IKAB COc1cccc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 19648199 NKAKSAOYTKQBOL-OAQYLSRUSA-N 448.931 5.435 0 40 IKAB Cc1nc([C@H]2CCCCN2C(=O)c2cc3ccccc3o2)ncc1C(=O)Nc1ccccc1 19755863 ZWHNQWGBIQWBPY-OAQYLSRUSA-N 440.503 5.151 0 40 IKAB Cc1nonc1COc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 21659679 OYVVDYUUIMMESJ-UHFFFAOYSA-N 442.500 5.486 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(C)C3CCC(C)CC3)nnc2-c2cccnc2)c(C)c1 21981664 MEUCGBHUFBTQLK-UHFFFAOYSA-N 449.624 5.075 0 40 IKAB CCn1cc(C(=O)Nc2ccccc2Br)c(=O)c2cc(C(F)(F)F)ccc21 22236759 SKBPZUASXAAIQQ-UHFFFAOYSA-N 439.231 5.055 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(OCc2ccccc2Cl)c1 22258450 IKKBCTVLXAKMBX-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26089600 KQNPSVRANPETFH-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1cc(C)nc(SCc2nnc(SC/C=C\c3ccccc3)n2-c2ccccc2)n1 26779665 CFMDVCOHGDKBDQ-XFXZXTDPSA-N 445.617 5.772 0 40 IKAB COc1ccc(-c2nsc(NC(=O)c3oc4ccc(Cl)cc4c3C)n2)cc1OC 27989010 GGTGOTWMJZKOQB-UHFFFAOYSA-N 429.885 5.183 0 40 IKAB CC(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 28290439 BXABOFJIPGNWEB-FICPYRFJSA-N 434.624 5.310 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)OC)c3)c3ccccc23)C1=O 33704622 JBIOWDSIIBTIOV-QPNANDPSSA-N 448.544 5.311 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@@H]2Cc2ccccc2)[C@H]1c1ccccc1 35132271 OXLKVVAPTOWHKX-YMVVMYQSSA-N 443.978 6.944 0 40 IKAB O=C1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 37259937 XIHNGQBYDVKORK-LCFSQTHNSA-N 432.519 5.156 0 40 IKAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 40139127 LUVCOTKBWWQARX-DEOSSOPVSA-N 432.564 5.076 0 40 IKAB CC[C@@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2OC)cc1 41077980 ORGCQZAEKLKSJN-QFNCUCFLSA-N 440.565 5.195 0 40 IKAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(Cl)cc1)OCN(CCCOC(C)C)C3 54333081 MUISIFXHDMBXLS-UHFFFAOYSA-N 427.928 5.389 0 40 IKAB biogenic CCC(C)(C)n1nnnc1[C@@H](C(C)C)N(Cc1ccccc1)Cc1ccc(Cl)cc1 57614023 IXEDFURWVORQKJ-JOCHJYFZSA-N 426.008 5.871 0 40 IKAB C[C@@H]1[C@@H](C(=O)NCc2ccc(F)cc2)CC=CCN1Cc1ccc(-c2ccccc2)cc1 57776475 ABOFZOZJXCFLQQ-ZBLYBZFDSA-N 428.551 5.576 0 40 IKAB O=C(c1ccccc1)N1CCCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377507 SMWKWQHXJIIJHV-GOSISDBHSA-N 427.430 5.001 0 40 IKAB O=[S@@](CCSc1nnc2c(Cl)cc(Cl)cn12)c1cc(Cl)ccc1Cl 84343898 FECHMJWNKPIYAI-XMMPIXPASA-N 441.192 5.243 0 40 IKAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1 100219426 GBCWACFGSFZCGF-IQGASKDCSA-N 440.547 5.226 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)cc3)C2=O)cc1C 102694037 JTNIFZSWZPIHRK-RJGXRXQPSA-N 432.907 5.008 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C2[C@@H]1c1ccccc1 102879525 GZCBREOSOKFUPB-HRFSGMKKSA-N 442.946 6.910 0 40 IKAB Clc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 107038706 SBOBGXWNVKSSJA-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222719043 LTLRCMKDWKPFKE-ZDUSSCGKSA-N 425.381 5.394 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223144460 TZIMHHMUBIRNPI-GOSISDBHSA-N 433.017 5.074 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)c2C)cc1 223192523 ZGTSEXAKAZQOQK-LJQANCHMSA-N 448.588 5.084 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1 223638221 LGQXZVNCGRAUMJ-UHFFFAOYSA-N 433.913 5.340 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 223978456 FHAMXAMVXFYBHR-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1cccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224091022 APQASQFHKIGOSI-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NCC(C)C)c1 224161620 XDGLOFFZOKSLFK-JOCHJYFZSA-N 436.640 5.415 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccc(Cl)cc1 224350641 MYSIYPQYJKIJRR-UHFFFAOYSA-N 448.371 6.555 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 224396847 TYPMGZOYZOPEGN-ZEQRLZLVSA-N 434.584 5.931 0 40 IKAB Cc1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)ccc1Br 225577790 CEXQOYYTGVVRQD-UHFFFAOYSA-N 439.756 5.401 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225613841 UELFGPTWAXTCJO-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)c(C)c1 225768012 NXNOXEBEAQPWGI-OAQYLSRUSA-N 448.941 7.052 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2cccc3ccccc23)c1 225862393 CNTACDXCYFDRKS-XHPQRKPJSA-N 438.527 5.261 0 40 IKAB O=C(c1ccc(-c2ccc(Br)cc2Cl)o1)n1cc(CO)c2ccccc21 226766196 LGGRUQFVFJBESK-UHFFFAOYSA-N 430.685 5.498 0 40 IKAB O=C(O)c1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12 226766322 AWWYUXKNQIJEFP-UHFFFAOYSA-N 444.668 5.704 0 40 IKAB C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1 253498549 KGICHBLSYNZKLD-WPAUBDEQSA-N 446.719 8.446 0 40 IKAB Cc1c(C)n(CCC(=O)N2[C@@H](Cc3ccccc3)C[C@H]3NCCCCC[C@@H]32)c2ccccc12 257239149 HODGAEQGRGLMKW-YIOBJHAYSA-N 443.635 5.393 0 40 IKAB COc1cccc(C(=S)NC[C@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1 408571672 CGIRVNQBRXQAQT-CQSZACIVSA-N 426.365 5.025 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c1 409248908 HVBQWTNGBXRCQB-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Oc1nc(-c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)nc2ccccc12 409256472 LMMNHIFNQRVAQZ-UHFFFAOYSA-N 447.325 6.221 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1OCc1ccc(Cl)cc1 409375046 DSUCISKCPOYGJV-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccc(C)c(C)c2)n1 585265630 PSGOECFNHOIUQR-UHFFFAOYSA-N 425.912 6.085 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1cccc2ccccc12 1615056232 WADRGKUSGUGSIB-GAJHUEQPSA-N 442.481 5.109 0 40 IKAB COc1cccc(COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2)c1 1321683 ZRRQFSMXBMTEIK-UHFFFAOYSA-N 432.472 5.373 0 40 IKAB biogenic COc1ccccc1CN(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 1327046 CLTBTNTUOCIBLJ-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Cl)c(Cl)c1 1388587 NYMVTFLWVDUGMV-UHFFFAOYSA-N 445.323 5.945 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1cc(C)cc(C)c1 1944152 YLKBDHNNEYECDP-UHFFFAOYSA-N 437.561 5.843 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccc3)sc2c1 2214746 GZWRXZAPCHYFAZ-QFIPXVFZSA-N 438.508 5.769 0 40 IKAB CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551850 MHLDTHPTJKJPHY-HSZRJFAPSA-N 439.024 6.792 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)c(Cl)c4)c3N2)cc1 3012604 WUMOCZDSOZCCRD-RTBURBONSA-N 448.876 6.066 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@H]3C(F)(F)F)cc1Cl 3012894 SJWWGBKWTLRJPC-BBRMVZONSA-N 440.809 5.051 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)/C=C/c3cccc(C(F)(F)F)c3)cc2)cc1 3256489 JQHQHEFBBFARAH-LHHJGKSTSA-N 440.421 5.618 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)ccc1OC(F)F 3286804 CSIOHKITONLXSK-UHFFFAOYSA-N 430.476 5.551 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)NC3CCCCCCC3)cc12 3360496 UIFBSQIQQRXXNE-UHFFFAOYSA-N 435.515 6.257 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1 3658693 CEZLQFJMEAELHI-HXUWFJFHSA-N 435.524 5.660 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 4646521 GPUFBDGDSHCGJK-BHIYHBOVSA-N 425.594 5.818 0 40 IKAB O=C(OC1(c2nccc3ccccc23)CCN(CCc2ccccc2)CC1)c1ccccc1 4774465 XJAPKZGXYLZNIK-UHFFFAOYSA-N 436.555 5.626 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 4862968 DRNMZJKMURLSBL-XTEPFMGCSA-N 426.560 6.806 0 40 IKAB O=c1oc2ccccc2c(O)c1C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O 5618522 AMQVHASIFJZFOS-UHFFFAOYSA-N 446.842 5.144 0 40 IKAB biogenic O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1ccccc1)Nc1ccc(Cl)cc1 6446856 SPLCKXOWEFFDRY-UHFFFAOYSA-N 447.947 5.623 0 40 IKAB CCOC(=O)c1c(NC(=O)CC23CC4CC(CC(C4)C2)C3)sc(C)c1-c1ccccc1 8454418 JDRYTHMAHMFNIP-UHFFFAOYSA-N 437.605 6.445 0 40 IKAB CCOCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 8654066 ICSSFIOCNGUJPW-UHFFFAOYSA-N 428.602 5.128 0 40 IKAB COc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1OC 8783003 UZKKISHLGSPWQX-QHCPKHFHSA-N 435.539 6.567 0 40 IKAB Cc1cc(C)cc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)c1 8793706 MAXQHEGQNSHWLF-UHFFFAOYSA-N 429.545 5.407 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NCc1ccc(F)cc1 8982612 SQSXHRNKDHEVIQ-UHFFFAOYSA-N 442.490 5.235 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)N(C1=N[C@H](C)CS1)c1ccc(Cl)cc1 9125582 AAIFWFFSBJJYMC-OAHLLOKOSA-N 438.984 5.340 0 40 IKAB COc1cccc(Oc2c(-c3ccc(OCc4ccc(Cl)cc4)cc3O)n[nH]c2C)c1 9129686 DILDCLJVIWLZLA-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1 9420123 MJOPLHMYVRKVPU-QHCPKHFHSA-N 442.544 5.307 0 40 IKAB CCc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1-c1ccccc1 9426825 BJJJKMBWCUYVFT-UHFFFAOYSA-N 441.771 5.521 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1nc2c(s1)CCCC2 9544420 OMTMGDAIUPDMLS-UHFFFAOYSA-N 430.533 5.136 0 40 IKAB CN(CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(=O)Nc2ccccc2)cc1 9585968 STXRZUJINFGUCX-UHFFFAOYSA-N 441.453 5.028 0 40 IKAB Cc1ccc(-c2cc(-c3nnc(SCc4csc(C)n4)n3N)c3ccccc3n2)cc1 9666435 AKUMXXPGKANXHV-UHFFFAOYSA-N 444.589 5.240 0 40 IKAB Cc1ccccc1-c1nnc(Sc2nc(CN3CCCC3)nc3sc(C)c(C)c23)o1 9949834 KIPBVVXYJQPLMM-UHFFFAOYSA-N 437.594 5.414 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2)ccc1Cl 9984181 CNTKZGGTJCWHNG-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1c(Cl)ccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381624 UMJMZTVAAMJYFO-VMPITWQZSA-N 442.997 5.653 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3)n2Cc2ccccc2)c1 12496335 ZHDGPBNGJNEHBL-IBGZPJMESA-N 428.561 5.421 0 40 IKAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@H]3CCSc4c(F)cccc43)s2)cc1 12622629 VIAJAZSMLVHDPY-SFHVURJKSA-N 428.554 5.445 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCCC3)cc2c1 12708387 NLZWWPJGBICZOK-UHFFFAOYSA-N 449.551 5.302 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)COc3cc(C)c(Cl)cc3C(C)C)n2)cc1C 13102031 OLKMLIBYBUNMNV-UHFFFAOYSA-N 443.012 6.838 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3C)C3CCCCC3)cc2c1 13513915 OFILKEOAJSAONV-UHFFFAOYSA-N 435.999 7.180 0 40 IKAB COc1c(C)cccc1C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 13946082 WMSZGLKIQHRMFR-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB COc1ccc([C@@H]2CC(=O)Nc3sc4c(c32)CCCC4)cc1OCc1ccc(F)cc1 15086019 BYMDXERTMIJVOU-IBGZPJMESA-N 437.536 5.828 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)CCc1c[nH]c3ccccc13)CC2 16002214 FWDYCQVWEBDGLL-NDEPHWFRSA-N 440.543 5.292 0 40 IKAB O=C1[C@@H](CN2CCCCC2)C(c2ccccc2)=NN1c1c(Cl)cc(Cl)cc1Cl 16478031 ZMQCZEGPIMFEGI-INIZCTEOSA-N 436.770 5.500 0 40 IKAB CCOCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 16687982 RWFXCKZLNDWUMW-UHFFFAOYSA-N 442.781 5.206 0 40 IKAB Cc1ccc(C)c(-n2c(-c3ccccc3)nn(CC(=O)Nc3cccc(C)c3C)c2=S)c1 16769750 WOFSAGJHQVCCLP-UHFFFAOYSA-N 442.588 5.943 0 40 IKAB CCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 17095935 VKXWXMDTWXAPFK-SFHVURJKSA-N 428.532 7.049 0 40 IKAB Cc1nc(-c2cccc(NC(=O)COC(=O)c3c(C)nc4ccccc4c3C)c2)cs1 19356723 LPCARVKWYPUEGE-UHFFFAOYSA-N 431.517 5.079 0 40 IKAB O=C(c1cc(-c2cccs2)nc2ccccc12)N1CCN(C/C=C/c2ccccc2)CC1 19630335 IPIBELSGBVWVQK-UXBLZVDNSA-N 439.584 5.435 0 40 IKAB COc1ccc(-c2cc3n(n2)[C@@H](C(=O)Nc2cccc(Cl)c2Cl)CC(O)=N3)cc1 20723229 XNZQRYONIIVDSV-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 20970429 IQPXAYLMJNWCGU-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccccc3Cl)o2)c(OC)c1 22386384 VXRJKKMBPWMIGF-FQEVSTJZSA-N 440.927 5.309 0 40 IKAB CCOc1ccc(CN(CC)CC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1OC 22474721 VNVHVRGRXHXWOU-UHFFFAOYSA-N 444.881 5.227 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(C)Cc3nc4ccccc4s3)c3c(C)noc3n2)s1 25058945 LZHAZXKAQIEYCO-UHFFFAOYSA-N 434.546 5.450 0 40 IKAB O=C(CSc1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 25389809 QINQJACZNJRMQL-UHFFFAOYSA-N 430.451 5.689 0 40 IKAB Cc1cccc(C)c1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 27753224 BHEXWDOKSALVOE-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCCc1ccccc1 27987538 MYIXSMAQLLNOOW-UHFFFAOYSA-N 428.469 5.405 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccc(Cl)cc3)c2)no1 33327370 VQAICVHUPWUSRE-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=P1(Nc2ccc(Br)cn2)C=C(c2ccccc2)OC(c2ccccc2)=C1 35077901 XXLWPRVSKAFASF-UHFFFAOYSA-N 439.249 6.562 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccccc2Cl)CC1 39752811 GNKRDXSMXUVTKE-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087937 KIBDXUPVCNJQNQ-UHFFFAOYSA-N 444.453 6.869 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccccc1 44847630 MRDHTAFYQBDSDS-NRFANRHFSA-N 442.606 5.090 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2)cc1 44904076 ZMLVKSBRBJZHLO-HSZRJFAPSA-N 430.504 5.015 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1sc2ccccc2c1Cl 57317000 LVPXCYSMPVMHDE-UHFFFAOYSA-N 446.753 6.507 0 40 IKAB CCn1ccc2cc(NC(=O)/C=C/c3csc(N(C(C)=O)c4ccccc4F)n3)ccc21 57994777 ZWEQAOSFXBAEMG-PKNBQFBNSA-N 448.523 5.593 0 40 IKAB COc1cc(/C=C/C(=O)OC(C)C)cc(Br)c1OCc1ccccc1Cl 62715918 HYOSOATVCWIODM-CMDGGOBGSA-N 439.733 5.655 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(Cl)ccc1F 67293115 XVNAGMIKWUGUBU-IAIVQWBNSA-N 435.282 5.020 0 40 IKAB Cn1cc(CCC(=O)N2CCC[C@H]2c2ccc(CNC3CCCCC3)cn2)c2ccccc21 72355739 QZICSTDDVJKPEC-MHZLTWQESA-N 444.623 5.292 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@H]2Cc2c(C(N)=O)sc3ccccc23)ccc1F 72370318 GUWZDQRJXRSFEM-SFHVURJKSA-N 438.568 5.004 0 40 IKAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H]1c2ccccc2CC[C@@H]1n1ccnc1 79110608 HWDARVXSCHCIEF-FPOVZHCZSA-N 449.461 5.083 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccccc1 101018320 MZCLQBGRICEWKJ-NRFANRHFSA-N 427.895 5.240 0 40 IKAB CCOc1ccc2nc(NC(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)sc2c1 101558285 WPUWRFZGGKZQSJ-RKOMNEFPSA-N 449.414 5.758 0 40 IKAB O=C(/N=c1/nc(-c2ccccc2)n(-c2ccccc2)s1)c1ccc(Br)cc1 102431492 FMJCYDJCIHFNAL-FLFQWRMESA-N 436.334 5.104 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1F 107042904 CEDDNVYVBQADJT-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1O 214581133 ADPUFSGNZBKVQR-LICLKQGHSA-N 448.338 5.098 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 222623598 SKIGSZINOSZADX-UAOJZALGSA-N 428.483 5.480 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4c(c3)CCC(C)(C)O4)ccc21 223667681 PRMLXJRAWMDJNX-UHFFFAOYSA-N 434.561 5.719 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223695980 KIDBLNSIPMJEGJ-QHCPKHFHSA-N 429.004 5.305 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@@H](CC(C)C)c3ccccc3)c2)cc1 223957434 HOYHMIIUERULAM-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 224656290 RFNVFOJKTPXOSU-VWLOTQADSA-N 446.591 5.107 0 40 IKAB O=C(NCCSCc1cccc2ccccc12)c1cc(Br)ccc1Cl 225076195 BRERFJJCZQMQLV-UHFFFAOYSA-N 434.786 5.919 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 225349942 KEJQYFMSJKZKFU-UHFFFAOYSA-N 427.331 5.495 0 40 IKAB C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@H]1CC[C@@H]2O 225364540 UTXNYGUZJLLOSP-VWCMCTFUSA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225470807 QMXOTIHGXPLZGV-JOCHJYFZSA-N 428.576 5.151 0 40 IKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)C1 225523054 DMXWAJATHBWBCZ-HXUWFJFHSA-N 441.015 5.901 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1C 225625523 FLXXOEXIIBTDQC-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225640751 ZKBVIIYHYOXAES-KKSFZXQISA-N 435.395 5.258 0 40 IKAB Nc1nnc(CCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Br)c2)o1 226342445 RARPIZAVEDTOJO-UHFFFAOYSA-N 443.128 5.085 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 239347093 MCDMIBHTTQBFAB-WHOFXGATSA-N 438.837 5.281 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1 257228100 FSHDHGQADAWKGO-UHFFFAOYSA-N 446.635 5.564 0 40 IKAB O=C(N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccccc2)CCCC1 257230946 GEOWOJLAKYXZRB-VWLOTQADSA-N 429.539 5.382 0 40 IKAB Cc1cc(Nc2ccccn2)cc([C@@H]2CN(Cc3nc4ccccc4n3C(C)C)CCO2)n1 257265757 MADJPVNCYIYNMA-DEOSSOPVSA-N 442.567 5.033 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Cl)cc2)c(Cl)c1 408577127 RIJVWZOEZQSVNV-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB Cc1ccc([C@H](CCC(=O)O)N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 408604087 DIASFIYXFPKZTA-SANMLTNESA-N 442.559 5.026 0 40 IKAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)CC1=O 408643255 QWGJGJHDXRVQOE-HXUWFJFHSA-N 442.559 6.076 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c1 408697553 HRRKRGUPEMONOJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(OCc2ccccc2Cl)cc1 408714070 HVLFCJGMIXFWPL-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB CC(C)COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408812728 PIDBFCCJPLMHQV-XNFVXLNTSA-N 449.640 6.775 0 40 IKAB COc1cc(/C=C2/N=C(C)OC2=O)cc(Cl)c1OCc1ccc(Cl)cc1Cl 408817021 KMNXHBIZUUWFNL-OMCISZLKSA-N 426.683 5.551 0 40 IKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)cc1 408829846 NIACRXUASNBPHK-UHFFFAOYSA-N 432.976 7.335 0 40 IKAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409067382 XWEKDLMZFITYCI-UHFFFAOYSA-N 434.539 5.998 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1ccc2ccccc2c1 409096004 JATQTSRLDIPIDW-HZHRSRAPSA-N 433.529 5.874 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccccc1Cl 409112569 FATJDSJPWVGTIH-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 409120076 UYXRUHLJKXDKJJ-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1cccc(Cl)c1 409120413 ZJPXQDNEGCNUCI-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409120870 WQJDOLDHEXGJEF-UHFFFAOYSA-N 434.630 6.563 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)cn3)cs2)cc1 585295304 UGALGLLGFUPAIQ-FQEVSTJZSA-N 426.973 5.343 0 40 IKAB COCC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(-c3ccncc3)ccc21 643563535 BXDPSGAXDGBBSG-UHFFFAOYSA-N 437.628 5.540 0 40 IKAB CCn1ncc(Cl)c1C(=O)N1CCCCCCCN(C(=O)C(C)C)c2ccccc2C1 643587339 AIMXHHUGBLZLQQ-UHFFFAOYSA-N 445.007 5.152 0 40 IKAB Cc1cc(C(=O)Nc2cscc2S(=O)(=O)c2ccc(Cl)cc2)c(C)n1C(C)C 2037845752 KCAKEMIUSNQSRT-UHFFFAOYSA-N 436.986 5.486 0 40 IKAB CCc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Cl)cc1 726432 XCLSFALMRDJHPX-UHFFFAOYSA-N 444.844 5.883 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1C 800049 LOMHBAOFWXUYOG-IBGZPJMESA-N 438.515 5.450 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCCCC1 998727 UEKNBIZOGBAHQT-DGCLKSJQSA-N 432.899 5.275 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)Nc4ccccn4)ncnc3c2c2c1CCCC2 1302917 AECBAPOEOQHXAG-UHFFFAOYSA-N 449.605 5.368 0 40 IKAB Cc1cccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CCCC5)n4)ccc32)c1 1354696 BQIOTCDDGALVEA-UHFFFAOYSA-N 431.561 5.450 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cccc1-c1nc2ncccc2o1 1408522 WUYZNUUDPFUWDD-UHFFFAOYSA-N 430.533 5.448 0 40 IKAB COc1ccc([C@H](Sc2ccc(Cl)cc2)[C@@H]2CCc3ccccc3C2=O)cc1OC 1798842 OSDNTUDUPKOALG-BWKNWUBXSA-N 438.976 6.636 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2F)cc1 2330948 CPALYWVEUCFDRQ-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 2593120 URMWYMWSAHFALT-UHFFFAOYSA-N 437.321 5.169 0 40 IKAB CCc1c(C)sc2ncn3nc(-c4cccc(COCC(F)(F)C(F)F)c4)nc3c12 2808847 SUFNTMGBXYUKOZ-UHFFFAOYSA-N 438.450 5.294 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCC(=O)c2ccc(Cl)cc2)c2ccccc2)c1 3275913 MZCOFMGDUNVPSN-RUZDIDTESA-N 449.934 5.843 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3c(F)cccc3Cl)cc2)cc1 3428125 QEZRCABPBNXCTH-UHFFFAOYSA-N 426.875 5.311 0 40 IKAB C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4831518 XCDQFROEGGNAER-HYOYPCNISA-N 428.745 8.249 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCC3CCCCC3)CC2=O)cc1 6753163 ITMTXGTWRIXYPF-OAQYLSRUSA-N 431.580 5.926 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(=O)N(c5ccc(F)cc5)C4)cc3)sc2c1 8816111 ZEHVOUWRQKVBJK-QGZVFWFLSA-N 445.519 5.402 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2c(Cl)cccc2s1 8832035 UGXQQFSHXOSGST-FNORWQNLSA-N 449.746 7.168 0 40 IKAB CCCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 8845263 HYASTTGXIYIRSZ-VWLOTQADSA-N 443.503 5.218 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)C(=O)/C=C/c1ccc(-c2ccccc2F)o1 9252885 AIMJRYPRIZHDRK-ZRDIBKRKSA-N 437.496 5.649 0 40 IKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nc3sc(C)c(C)c3c2=O)cc1 9296209 IUVWNRPLZQCOFS-UHFFFAOYSA-N 442.609 6.818 0 40 IKAB CCC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccc(OC)cc4)no3)c(=O)oc12 9431203 VOMLOLJEROHUPX-UHFFFAOYSA-N 448.475 5.132 0 40 IKAB CSCC[C@H](NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 9493869 IJXWKZRIJOQUCL-PXAZEXFGSA-N 438.380 5.248 0 40 IKAB Cc1ccc(C(=O)Nc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2Cl)cc1C 9579487 ZLUOJJACBPFGJK-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCc1nnc2sc(-c3ccc(OC)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 10010302 CMRPOTKRVCJXCK-MDWZMJQESA-N 447.564 5.199 0 40 IKAB COc1cccc(COc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)c1 11866219 XFRWKHKRXBWILY-UHFFFAOYSA-N 432.472 5.373 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CSc1cc(C)ncn1 12017043 BJIHWMYZKVBLFD-UHFFFAOYSA-N 447.969 5.074 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2cccc(C)c2)c1 12551456 NSGOUYIZOOSPPQ-SFHVURJKSA-N 429.545 5.656 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1cccc(OC(F)(F)F)c1 12907824 UYQGQKNQXDIPKB-UHFFFAOYSA-N 429.807 5.019 0 40 IKAB C[C@H](OC(=O)Cc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccccc2)cs1 13076275 VIUBDRVKUHDDJW-LBPRGKRZSA-N 435.332 5.230 0 40 IKAB CCOC(C(=O)Nc1ccc2c(c1)nc1n2CCCCC1)(c1ccccc1)c1ccccc1 13095984 NYTCJNGLHVCOCR-UHFFFAOYSA-N 439.559 5.682 0 40 IKAB CCCCCCn1nc(C(=O)Nc2cc(C(C)(C)C)ccc2OC)c2ccccc2c1=O 13109750 OXFBDOYZCSYMCA-UHFFFAOYSA-N 435.568 5.535 0 40 IKAB CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13499289 RQMUQROSLHQVCQ-XMMPIXPASA-N 448.615 5.224 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1OCc1ccccc1 13687289 YVDFTVTUVKTZBN-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB COc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 13778935 NGWJHFYUNHTFHH-GMAHTHKFSA-N 425.315 6.244 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(F)cc1 13945794 WPXMWRNWUMIBTE-RUZDIDTESA-N 427.479 5.189 0 40 IKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Cl)cc1Cl 13992051 NQKQIGOCDSGECG-UHFFFAOYSA-N 432.288 5.673 0 40 IKAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccc(Cl)cc1 15222433 HAACGPUOUUCXPB-HPEPBICTSA-N 428.963 5.890 0 40 IKAB CCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 16638175 DRZUBSPFNICNNO-UHFFFAOYSA-N 444.830 7.294 0 40 IKAB CC(=O)N1N=C(c2ccc3c(c2)CCCC3)Sc2c1nc(-c1ccc(C)cc1)n2C(C)=O 16806932 DMEZKEFPMDIRLF-UHFFFAOYSA-N 444.560 5.218 0 40 IKAB COc1ccc(C(=O)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Br 17101096 BQHINFIZJQVXKJ-UHFFFAOYSA-N 437.293 5.196 0 40 IKAB CC(C)C(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 17113005 UUYLNWRGKFRVQH-UHFFFAOYSA-N 447.629 6.178 0 40 IKAB Cc1cc2sc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2cc1Cl 19646567 KJAUJDJGNNPKHE-UHFFFAOYSA-N 447.741 6.533 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20141351 QVGKZSUEXORVKB-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144539 YQDXWNNPYSQQKK-UHFFFAOYSA-N 440.710 5.725 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)c(Cl)c2)cc1 20491401 HDXDBPSUOTWCQG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccccc1F)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20714338 OZTOVRQSWUKJQZ-DEOSSOPVSA-N 428.507 5.517 0 40 IKAB O=C(Nc1ccccc1Cl)C(=Cc1cccc(O)c1)C(=O)Nc1ccccc1Cl 20794283 NFBBAKJIBTVKOY-UHFFFAOYSA-N 427.287 5.360 0 40 IKAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4ccc(C)c(Cl)c4)c3)nc2c1 21100184 NGDKPWSJJSFJHE-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1noc([C@@H](C)Sc2nc3sc(C)c(C)c3c(=O)n2-c2cccc(C)c2C)n1 22831242 CZMOEFVTENRSIH-CQSZACIVSA-N 426.567 5.226 0 40 IKAB O=C(c1cc2ccccc2s1)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24920288 MWBZUXNEVCFJEC-UHFFFAOYSA-N 437.565 5.122 0 40 IKAB CC(=O)c1ccc(N(Cc2cccc3cccnc23)S(=O)(=O)c2ccc(C)cc2)cc1 25806596 KMVCYCALFMANAE-UHFFFAOYSA-N 430.529 5.141 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2Cl)cc1 30850293 GLYKVOCBNCTMAD-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC(O)(c2ccc(Cl)cc2)CC1 32088801 SSVKZACZPFRISY-UHFFFAOYSA-N 444.962 5.467 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3)c(Br)c2)cc1 33781824 DZKOVLFKTWYFMP-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 35105049 GWBJUBXLLCNYQF-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 37100521 YDDJPPMOIZOORL-SANMLTNESA-N 443.978 5.876 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 48302280 FHAJBVVUBFBHHZ-QGZVFWFLSA-N 446.359 5.360 0 40 IKAB Cc1ccccc1CN(Cc1cccnc1)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 48313598 VTFJLKDNHPVSJF-UHFFFAOYSA-N 447.485 5.485 0 40 IKAB Cc1cccc(CN(Cn2nc([C@H](C)N(C)C)n(-c3ccc(F)cc3)c2=S)C2CC2)c1 48354144 WXLLETMEJISFCN-SFHVURJKSA-N 439.604 5.096 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1cccc2ccccc12 57315892 OMYVHDQBOACXQW-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)c(Cl)c1 59409212 FKPQUSIQXFDQSB-JOCHJYFZSA-N 445.371 6.278 0 40 IKAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 89904814 YEKDDCBUFIMHPK-PGRDOPGGSA-N 430.957 5.467 0 40 IKAB C[C@@H]([C@H]1C[C@@H]2CC[C@@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 102817358 POPRPECCKAJPEI-ONCXSQPRSA-N 438.572 5.681 0 40 IKAB O=C(Nc1ccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@@H]2c2ccccc2)cc1)c1ccccc1 139066974 FGBLBUMURGNXGV-WKEDTZOBSA-N 446.506 5.388 0 40 IKAB C[C@H](C(=O)NCCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222842756 WYVBAAXFNVPNDV-OAQYLSRUSA-N 448.994 5.049 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223178275 DLIKGWCLVMYOCR-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCCCCC3)cc2)cc1 223997854 RRTIUNVEFIHPPE-UHFFFAOYSA-N 446.638 5.300 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)c1 224133852 AUYQKYZCEYZLDD-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224211252 YWCXOCITKIBJBT-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1C 224274828 UZCPAFFLJGCEMQ-LOSJGSFVSA-N 430.621 6.182 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224289564 MAHGKKVSBMLYCW-MOPGFXCFSA-N 444.423 5.700 0 40 IKAB O=C(NCc1ccc(CN2CCOCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 224541329 WEEBRWKGYJIHFD-XIEYBQDHSA-N 446.978 5.029 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)ccc1F 224906811 UDDXMRHUBGWRIE-BJKOFHAPSA-N 446.526 5.636 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(I)c1 225014171 NCVWUJISVITICD-UHFFFAOYSA-N 443.284 5.431 0 40 IKAB Cc1cccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCOCC2)c1 225568249 CWIZGSMQGMUIHC-UHFFFAOYSA-N 429.560 5.878 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225659163 NKMVZDWERZRMLZ-IBGZPJMESA-N 447.044 5.320 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 225660052 PZWSGSQDQQEPFN-YADARESESA-N 442.575 5.050 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 225692015 LSRDFNZQXMKRJC-HXUWFJFHSA-N 434.555 5.101 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 408667735 KGURHXQZCCKCEF-UHFFFAOYSA-N 440.499 5.268 0 40 IKAB Cc1ccc(C(=O)[C@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408687645 URVVRVKLNWDGRF-QHCPKHFHSA-N 440.948 5.255 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNc2cccc(Cl)c2C)cc1 409110497 CSVPBEYQYQOWJG-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3O[C@H](C)CC)C2=O)cc1 409176115 HRMNHZNIZFNUPH-ZFMLPXDISA-N 438.549 5.101 0 40 IKAB Fc1ccc(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1 409196062 SRDUYBPYZSJRIS-UHFFFAOYSA-N 430.548 5.593 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccnn2[C@@H]2CCCc3ccccc32)cc1OC 624893780 ZDMNDMDCJSCJFT-LJQANCHMSA-N 425.916 5.122 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 928176 AZABZUKKJQBOEJ-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCN4C(=O)C(C)(C)C)cs2)cc1 1366719 CPIWTDCTFJVJQU-UHFFFAOYSA-N 435.549 5.006 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4F)c23)C1 1377293 ZZYMOLCNDWMOIR-GFCCVEGCSA-N 427.570 5.563 0 40 IKAB Cc1c(C(C)(C)C)cc(CC(C)C)c(O)c1-c1c(C)c(CC(C)C)cc(C(C)(C)C)c1O 1732683 MCJGSAGKECCECV-UHFFFAOYSA-N 438.696 8.374 0 40 IKAB O=C(COc1cc(Cl)ccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 1808086 RRPTXZBAULJDNY-UHFFFAOYSA-N 434.706 5.895 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCCCC4)cc1 2066420 GJPGIBCCOPHMBD-UHFFFAOYSA-N 448.613 6.017 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 2079591 NLJIOWSIKSGJTJ-GOSISDBHSA-N 443.930 6.600 0 40 IKAB Cc1cc(C)cc(Oc2nc(Oc3cc(C)cc(C)c3)nc(Oc3cc(C)cc(C)c3)n2)c1 2187134 WRVKMPKIQHBPSX-UHFFFAOYSA-N 441.531 7.099 0 40 IKAB O=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 2253902 HZALOAPXVVRJIH-UHFFFAOYSA-N 432.527 6.058 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc4ccccc34)OC2=O)cc(Cl)c1OC(C)=O 2284803 BXAQGEYDDQQEJB-NDENLUEZSA-N 435.863 5.162 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 2449508 WIAZLBYHRZBTOW-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2741828 CCMBLNJUIGNMJA-INIZCTEOSA-N 449.381 7.974 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3cccc(Cl)c3)sc2c1)c1cccc(Cl)c1 3223860 ADQUPMFSACMMBV-UHFFFAOYSA-N 442.327 6.108 0 40 IKAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3263560 LOMRFSIUDGEZDN-LLVKDONJSA-N 437.801 5.402 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1NCCC1=CCCCC1)c1ccc(Cl)cc1 3285382 OQAGUHMZUKAAKP-UHFFFAOYSA-N 442.972 5.386 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3408923 NTYMBSMJJZMMHY-UHFFFAOYSA-N 425.494 6.942 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccccc3c2=O)cc1 3441487 XZSYCLUEXJVLIE-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(Nc3ccccc3)n2-c2ccccc2)c(C)c1 3624949 MCHRJXFBOQUCOU-UHFFFAOYSA-N 428.561 5.911 0 40 IKAB Cc1cccc(C)c1-n1nnnc1C1(Nc2cccc(Cl)c2)CCC(C(C)(C)C)CC1 4065787 SVASYQNCVWGBOZ-UHFFFAOYSA-N 438.019 6.476 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 4163414 DKNPZRUGYWSHSX-XMCHAPAWSA-N 444.457 5.157 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 4769488 XXQASABQMMKQBU-RWFZIKKDSA-N 448.759 8.557 0 40 IKAB CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 8684611 VFNNUMACXMBVMY-UHFFFAOYSA-N 438.641 5.051 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8756171 NYBKMCFCZHOKEM-IBGZPJMESA-N 429.495 5.083 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1coc2cc(C)c(C)cc12 8880816 MRPNHCSRYMFKEM-UHFFFAOYSA-N 437.927 5.734 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 8920836 ZFTYTBXTSCPOKI-CWTRNNRKSA-N 434.989 6.086 0 40 IKAB C[C@@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[nH]c(=O)c23)C1 8952035 KNGRNGMYTNAHKD-CQSZACIVSA-N 436.964 6.009 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 9057196 USYJKVNHOFDTJT-BOSJPIGCSA-N 426.947 6.777 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(C)c4OC)ccc3o2)cc1 9064731 TZGIJZYQYCKAOD-UHFFFAOYSA-N 445.544 5.501 0 40 IKAB Oc1cc(OCc2ccccc2F)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 9129628 HOCQVSDWJNRQOS-UHFFFAOYSA-N 429.369 6.451 0 40 IKAB biogenic CCc1cccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 9225636 YBVRGQFBUQNCNF-RUZDIDTESA-N 448.975 5.382 0 40 IKAB O=C(Nc1cccc(-c2csc(Nc3ccc(C(=O)O)c(O)c3)n2)c1)c1ccccc1 9289082 IPBOXGLOCNRZAI-UHFFFAOYSA-N 431.473 5.210 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 9292039 BGJIQGXCPLSHCN-ZDUSSCGKSA-N 449.605 5.924 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 9307777 KHOMUKDTFUNPGK-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308804 XYWBWHPBOCBHCB-UPVQGACJSA-N 446.392 7.069 0 40 IKAB O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9362741 WTOABDHCXUOKSA-SFHVURJKSA-N 429.701 5.687 0 40 IKAB CN(Cc1cn(Cc2ccccc2Cl)nc1-c1ccccc1)C(=O)Cc1ccsc1 9462604 TXSRIUIASAJVEO-UHFFFAOYSA-N 435.980 5.514 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc34)[C@@H](c3ccco3)C2)cc1 9496552 LUMSQAVXSSZILA-OAQYLSRUSA-N 428.517 5.001 0 40 IKAB Cc1cc(C(F)(F)F)nc(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)n1 9971576 FTMAMSXIINREQF-UHFFFAOYSA-N 447.869 6.117 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(C)cc3)C2)cc1OC 10013864 DFIROOVXGPBIEQ-QFIPXVFZSA-N 434.923 5.657 0 40 IKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1ccc2c(c1)OCO2 10040175 CJSXZGFLLZKGPR-UHFFFAOYSA-N 427.243 5.783 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(CN(c2cccc(Cl)c2)S(C)(=O)=O)cc1 10366498 JAFZZBIJWYGPLE-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)c1cccc(Cl)c1 10371195 HTQUQWLTARFAIR-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccccc3Br)nc12 11142975 MRVAGHPBKUPJKY-OAHLLOKOSA-N 445.382 5.501 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2 12482367 JUSDIWDBXGNAFC-KNBKFLTOSA-N 442.953 6.128 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCCO5)=NN32)cc1 12561644 CZEAKZLYHQPZDX-WNCULLNHSA-N 426.516 5.824 0 40 IKAB O=C(CN(Cc1cccs1)Cc1cccs1)Nc1ccc(N2CCCCC2)cc1 12569104 BLLBGTQKKBJGBS-UHFFFAOYSA-N 425.623 5.441 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cs1 12815992 NAVJYDVTIOSQND-ODLFYWEKSA-N 437.908 5.134 0 40 IKAB Cc1cc(NC(=S)NC(=O)/C=C/c2ccco2)cc(-c2nc3ccccc3s2)c1O 12843218 XZVNGIQAFUVPTQ-CMDGGOBGSA-N 435.530 5.097 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Cl)cc2Cl)o1 12883298 RTBQSWGARACQHY-NSHDSACASA-N 429.300 5.827 0 40 IKAB C[C@@H]1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc2S1 13015234 YUSPRFUQBRIYJF-GOSISDBHSA-N 432.545 5.235 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 13017642 YTSXZSYDLRCNJM-HSBSSIIGSA-N 446.506 5.959 0 40 IKAB CCC(=O)c1ccc(OC(=O)c2oc3ccccc3c2CSc2nc(C)cs2)cc1 13095490 JUXMOXCBQAONCY-UHFFFAOYSA-N 437.542 6.302 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)OCCCO2 13096008 LAUGTUJVYPOUNG-OAQYLSRUSA-N 429.607 5.454 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccccc12)Nc1cccc(Cl)c1Cl 13387918 OUHOSAWBKZAIEY-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 13583109 AKDYSUBBXLTFJI-VXWZWFMZSA-N 449.392 6.677 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 13811610 DYIUZWZEWWAQJR-GOSISDBHSA-N 446.414 5.255 0 40 IKAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2sccc2[C@H]1c1cccs1 14704109 DSSWKVWOEPVBQU-SFHVURJKSA-N 433.982 6.605 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ncc(Cc2ccccc2)s1 14779346 SPOZRHXRLSJNDX-UHFFFAOYSA-N 425.460 5.238 0 40 IKAB CC1(C)[C@H](C=C(Br)Br)[C@H]1C(=O)Oc1cccc2cccnc12 16577187 RTTRUPRDIFRKIG-RISCZKNCSA-N 425.120 5.044 0 40 IKAB C[C@@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 16756973 INFCSEKEXVPJOT-OAHLLOKOSA-N 438.940 5.257 0 40 IKAB CCOc1ccc(NC(=O)Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)cc1 16769196 VIAWXVHBDKSUEA-UHFFFAOYSA-N 444.560 5.031 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)N2c3ccccc3Sc3ccccc32)CC1 16780233 QNXOLOHTSBEZRO-UHFFFAOYSA-N 435.980 6.193 0 40 IKAB CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccccc2)cc1 16788738 XQHLQUKOUDLFPU-UHFFFAOYSA-N 427.533 5.502 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(Cl)cc2)cc1 16789254 FMEUERBPZHGEOU-UHFFFAOYSA-N 449.963 5.783 0 40 IKAB Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)[nH]c2ccc(F)cc12 19565455 IKJSESGMBKPEPQ-XMMPIXPASA-N 436.575 5.126 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(F)c2)cc1 19644248 RJEWWNWYYNSENB-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB FC(F)(F)c1cccc(-c2nnc3sc(-c4ccc(-c5ccc(Cl)cc5)o4)nn23)c1 19910180 OREMPWJGNVOXIR-UHFFFAOYSA-N 446.841 6.452 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20105781 WPBLLGKGUZNFPG-XJVZSZGSSA-N 440.052 7.317 0 40 IKAB Fc1ccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)cc1 20332366 IJPSOBNAVBWAMP-UHFFFAOYSA-N 437.400 5.715 0 40 IKAB CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672311 YCSKCMOGEGSOJH-DEOSSOPVSA-N 449.551 5.464 0 40 IKAB CC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(CN2CCC[C@@H]2c2cccn2C)cs1 25051704 DBQSGZSRVOARCP-HXUWFJFHSA-N 449.407 5.810 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(-c4ccoc4C)o3)cs2)cc1 26129138 SKJYJOFALCDUKA-UHFFFAOYSA-N 440.550 5.634 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28537442 HHYFLPBCAMVKQC-UHFFFAOYSA-N 425.316 5.140 0 40 IKAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 30753300 UMENSUVIVHKGFI-UHFFFAOYSA-N 436.559 5.064 0 40 IKAB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35646028 SVXXMWGEVKSHSY-HMAPJEAMSA-N 430.916 6.836 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1nnnn1-c1ccccc1 40122921 MVUUHRKVVNJNLD-HNNXBMFYSA-N 428.496 5.265 0 40 IKAB Cc1c(C(=O)NCc2cn(-c3ccccc3)nc2-c2ccncc2)sc2cccc(F)c12 60238036 AZSDEUMDZROTDU-UHFFFAOYSA-N 442.519 5.527 0 40 IKAB CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CCC)CC4)cc3F)cc2)CC1 66351985 ZNSSVBKDGHSLQE-UHFFFAOYSA-N 448.710 10.421 0 40 IKAB O=C(O)[C@H](SCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 73633227 FQOOEBRVIGLHBW-HHHXNRCGSA-N 440.564 6.914 0 40 IKAB O=C(NCc1ccc(Cl)c(NC(=O)c2cc(F)cc(F)c2)c1)c1cc(F)cc(F)c1 89768331 UFUFPIHXXBOZHT-UHFFFAOYSA-N 436.792 5.079 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 95392642 KDRVILQGPRMSDR-SNVBAGLBSA-N 444.825 5.123 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987139 QENWBJAXORFUJO-MKSNKDDYSA-N 439.386 6.763 0 40 IKAB Cc1cc(O)c(C(C)C)cc1NC(=O)C12C[C@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102438891 IXAKFFYTWBXGOI-SNTCSEMISA-N 428.964 5.003 0 40 IKAB CCOc1ccccc1CCCNC(=O)COc1ccc(C(C)(C)C)cc1Br 218883865 JANZFOQNBKIKBR-UHFFFAOYSA-N 448.401 5.273 0 40 IKAB O=C(NCCSCc1ccccc1F)c1cc(Cl)ccc1OCc1ccccc1 219769324 HHCKKOMSTZBGAN-UHFFFAOYSA-N 429.944 5.721 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222826497 FRRRNAVCIUXWBP-QGZVFWFLSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223262153 CMIOCGHHDIREKR-VWLOTQADSA-N 436.640 5.773 0 40 IKAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223262424 FWVPPRCJFXSHHF-SANMLTNESA-N 448.607 5.052 0 40 IKAB Cc1cc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)ncc1Br 223987014 LOGZULNNJSHSCE-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 224212255 NDJCABHTVZENIR-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 224214387 IPIVNCVUPLJNFY-HHHXNRCGSA-N 442.603 5.461 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C(C)(C)C 224515467 YRQKSPWLRXBCHX-UHFFFAOYSA-N 449.616 6.936 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224703586 LVJZNBIKKHDQEK-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224818640 UCXIKQWBGNOWSD-IBGZPJMESA-N 426.988 5.057 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 224900285 AIHLVHYLAJENKH-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc(C)c1OC(C)C 225583222 QUXOVZKDXOEQAV-UHFFFAOYSA-N 436.379 6.084 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225609657 ATPIANDWNOMYDB-VGOFRKELSA-N 449.422 5.648 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 225859891 OOZFWVHVKKWBIW-IBGZPJMESA-N 427.957 5.533 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3cccc(C)c3)CCCC2)cc1Cl 225866903 PZDBISYNYZPYJH-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(Br)c3nc(N)sc3c2)cc1Cl 226311417 CLXYRLCECJVAJA-UHFFFAOYSA-N 447.141 5.209 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 253609380 PECVQXJSAFWCOS-UKMVZUJRSA-N 446.716 6.822 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ncccc3c2)C1)C1(Cc2ccccc2F)CCOCC1 257278611 OCXXGCSKYDJDCN-JOCHJYFZSA-N 446.566 5.195 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCCC2)CC1 257312269 UNDIATDMRNDWJT-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1F 408559492 VQCXDNRFRIMJNG-HSZRJFAPSA-N 443.927 5.845 0 40 IKAB S=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1OCc1c(Cl)cccc1Cl 408578540 YNDATMWORYIOPX-CYBMUJFWSA-N 430.784 5.670 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1Cl 408641674 KYQOTGNQHVGDEJ-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408696977 DAGRARLHUVSNJP-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)c1 408699431 UFMKKIXFVONPHO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cn(C)c3ccccc23)C1=O 408819836 UFOCICRTZRJXMD-AHQGTXAOSA-N 430.597 6.232 0 40 IKAB O=C(OCc1ccccc1)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 409182434 MFOCZCZKEOASPT-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB CC(C)Cc1nc(Cc2ccc(F)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265650 WQEIKWNRVHTGNY-UHFFFAOYSA-N 442.328 6.138 0 40 IKAB CCc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCN(C(=O)c4cccs4)C[C@H]32)cc1 1848354062 IFTLBJLBRUEECH-SDHOMARFSA-N 430.617 5.441 0 40 IKAB Cc1ccc(CSc2nnc(-c3cccc(NC(=O)c4ccccc4F)c3)n2C)cc1 680658 ZYAMVCFWAJZRPR-UHFFFAOYSA-N 432.524 5.474 0 40 IKAB COc1ccc([C@H]2[C@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC 720740 XZJATTBGOKZMLP-VXKWHMMOSA-N 427.859 5.032 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 725744 APAMXHLGKORGCF-DFBJGRDBSA-N 430.523 5.678 0 40 IKAB O=C(Nc1ccc(Cl)c(N2C(=O)c3ccccc3C2=O)c1)c1ccc2ccccc2c1O 797342 RQZAUKPTDOLJPL-UHFFFAOYSA-N 442.858 5.252 0 40 IKAB COc1cc([C@H]2NCCc3c2[nH]c2ccc(OCc4ccccc4)cc32)cc(OC)c1OC 1317845 YJPJKPJLMJPSCZ-RUZDIDTESA-N 444.531 5.008 0 40 IKAB biogenic O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 1447506 LCACYPYGCXZSBM-UHFFFAOYSA-N 441.343 5.611 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3C)[C@@H]2c2ccccc2Cl)cc1C 2192789 AKBHEZHCQDZOJK-GOTSBHOMSA-N 426.343 6.454 0 40 IKAB COc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c(OC)c1 2267230 OHFBECSBXQTEQV-UHFFFAOYSA-N 426.303 6.364 0 40 IKAB CCOc1ccc(Nc2nnc(SCC(=O)Nc3cccc4ccccc34)s2)cc1 2657808 DITMJEAWPDWWFS-UHFFFAOYSA-N 436.562 5.564 0 40 IKAB COc1cc2c3nnc(-c4ccc(C)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC 2691323 AVAMDHSIWFBDQP-UHFFFAOYSA-N 427.479 5.716 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 3011660 SVOLYYCMEMBNTQ-QUCCMNQESA-N 444.457 5.421 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)c4cccc(Br)c4)ccc3Cl)nc2c1 3025343 IJQZOQKNULYTIY-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB FC(F)(F)c1cccc(N2CCN(c3nnc(-c4ccccc4)c4ccccc34)CC2)c1 3210313 OQBFTFSBPVXRDH-UHFFFAOYSA-N 434.465 5.642 0 40 IKAB COc1cccc(/C=C(/C(=O)O[C@@H](C)C(=O)Nc2ccc(C(C)=O)cc2)c2ccccc2)c1 3268809 QYAQNWZEYZVATA-HLNOYYKJSA-N 443.499 5.009 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3F)n2CC(C)C)cc1 3275037 HLQKUQAFWVWYSL-UHFFFAOYSA-N 448.951 5.133 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1Cl 3284369 PPGYMBPEABUAQP-JOCHJYFZSA-N 428.315 5.768 0 40 IKAB COc1ccccc1Nc1nnc(SCC(=O)c2ccccc2Br)s1 3291140 YPASULMPFUWUBO-UHFFFAOYSA-N 436.356 5.028 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1cccs1 3350464 QSEXXQZXIHGTHL-UHFFFAOYSA-N 430.574 5.059 0 40 IKAB CCCCCC[C@H](C)Oc1ccc(-c2ccc(-c3ccc(CCCCC)cc3)nc2)cc1 4321148 FQMFCNMVBVQPJN-DEOSSOPVSA-N 429.648 8.886 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](C(=O)CCC(F)(F)F)CC[C@@H]32)C1 4720882 FSIYIALQTPKKEU-QAQMRWEASA-N 442.562 6.489 0 40 IKAB CCc1ccccc1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 8383687 MQMYIXJYJMPTPQ-UHFFFAOYSA-N 445.360 6.787 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)cc(C)c2)CC1=O 8587088 ZBVPUPNQSOHMAU-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O 8587096 LPMICCDJBKPSOG-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1 8755061 SIACSTUGNAQBOX-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc12)C[C@@H](C(C)(C)C)CC3 8870411 IRSPQGWDSGHTOV-SFHVURJKSA-N 448.588 6.241 0 40 IKAB O=C(CSc1nncs1)N(Cc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 8896810 ZJOFHYHVYQUXTA-UHFFFAOYSA-N 442.566 5.126 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4OC)ccc3o2)cc1OC 8903859 ODLISZFLRUUIRS-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(c1ccccc1)c1ccccc1 8919333 UUBOSYHNAGEJLB-UHFFFAOYSA-N 434.564 7.042 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 9056969 FUXQFAXFDGBRMC-UHFFFAOYSA-N 434.583 6.547 0 40 IKAB Clc1ccc(N2CCN(c3nc(-c4ccccc4)nc4c3oc3ccccc34)CC2)cc1 9159406 JGCWOUDZBNGGIU-UHFFFAOYSA-N 440.934 6.023 0 40 IKAB CCCSc1nnc2n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc3n12)CC[C@@H](C)C4 9165165 WWCGVLXDYYIAGW-GFCCVEGCSA-N 445.013 5.375 0 40 IKAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC(Cc2ccccc2)CC1 9378431 CUUUMMACIKKWRA-UHFFFAOYSA-N 425.532 5.008 0 40 IKAB COCCCN(Cc1ccccn1)C(=O)[C@@H](C)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9422289 DFLTWCZRQSXLDW-KRWDZBQOSA-N 435.955 5.538 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@H]3c3cccs3)cc2)cc1 9711831 YRAMJFLCBFGCRO-QFIPXVFZSA-N 449.576 5.175 0 40 IKAB Cc1ccc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 9909187 BMXCBBVUJYZOKZ-UHFFFAOYSA-N 438.527 5.576 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2sc(-c3ccsc3)nc2C)N2CCCCC2)cc1 10217969 DYQCZLLVTKEZTG-HXUWFJFHSA-N 441.622 5.146 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 10246192 YDMJLYQHNYGHKQ-UHFFFAOYSA-N 428.341 5.494 0 40 IKAB CC[C@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@@H](C)CC 10866899 YDOBCWRJMIMCFE-KBPBESRZSA-N 449.667 5.241 0 40 IKAB Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(OC[C@H]2CCCO2)cc1 12137130 LSPXOCUVNCCXLQ-OXQOHEQNSA-N 448.357 5.030 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195665 COEVEHAWLCVMMA-WIOPSUGQSA-N 434.923 5.990 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccc(Cl)cc3)n2)cc1 12342314 HQLKONWIZOBDLA-UHFFFAOYSA-N 445.954 5.461 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)NCc1ccccc1Cl 12604513 AYBGLCIMVDCMKO-UHFFFAOYSA-N 435.980 5.341 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccc(F)cc1F 12947702 HUPOKFCCFHBTNM-UHFFFAOYSA-N 447.536 5.202 0 40 IKAB COc1ccc(C)cc1CN(C)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1 13009252 VBKQBYDLKGLKMR-UHFFFAOYSA-N 433.577 5.217 0 40 IKAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 13026905 JZJKZJCFFDBHFS-RUZDIDTESA-N 444.531 5.238 0 40 IKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13769285 CUUHNKSDTZCGIL-HYBUGGRVSA-N 434.879 5.320 0 40 IKAB CCOC(=O)Cc1csc(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 14138372 VZTFSYOJUKOYFB-NRFANRHFSA-N 440.590 5.338 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Cl)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282455 AHIIVBSCBAWEMI-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(OC)cc(OC)c1 17094445 DNAWQUAKQNEXAY-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)cc1 17988255 PZAQEQGFNKOLDD-DQEYMECFSA-N 439.511 5.176 0 40 IKAB CC(C)Oc1ccccc1NC(=O)c1cc(C2CCN(Cc3cccc(F)c3)CC2)no1 19450970 XSJHXAFUFYEUGD-UHFFFAOYSA-N 437.515 5.233 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20036470 GYEZUFQPHUGTQH-IBGZPJMESA-N 426.409 5.817 0 40 IKAB COc1ccc(C)cc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20357194 BHIHUEJOAXRQQP-NRFANRHFSA-N 448.910 5.618 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1 20412345 GRGCRVTXQKYCOQ-UHFFFAOYSA-N 428.576 7.163 0 40 IKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccccc1Br 22072684 IHYQSMTZVTYRAU-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(COc2ccccc2)cc1 24522286 ZXPWEPRXNMYCGY-UHFFFAOYSA-N 431.495 6.128 0 40 IKAB COc1cccc([C@H](Nc2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770913 NPKSETQPHDCGMP-VWLOTQADSA-N 442.584 6.827 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1cc(-c2ccccc2)on1 27580166 XQKJTHNQJWSHOY-UHFFFAOYSA-N 442.858 6.225 0 40 IKAB CC(C)(C)OC(=O)N1CCc2nc(NC(=O)c3ccccc3SC(F)F)sc2C1 30935891 AUHODJRSYDAKAI-UHFFFAOYSA-N 441.525 5.003 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(CC(O)=Nc3c1cnn3-c1ccc(C(F)(F)F)cc1)C(=O)N2 32105561 MGSROIBHBGPMDK-QFIPXVFZSA-N 440.425 5.244 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 35332084 SCCKJFYCGSNAOT-KRWDZBQOSA-N 442.821 5.152 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 36352217 SLGJSGHSAKMINS-PXJZQJOASA-N 440.587 7.231 0 40 IKAB CC(C)(C)C(=O)N1CCC(C(=O)N[C@@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 40017248 ALVKVMPXZNBQEE-QHCPKHFHSA-N 438.637 5.117 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 40485653 YLJWUIILQTWLQY-JOCHJYFZSA-N 433.891 5.399 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 44918646 MWCDKRKPXPAYSC-DEOSSOPVSA-N 445.563 5.079 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 49655127 PZJSOJXSJGBDPL-XMMPIXPASA-N 431.561 5.425 0 40 IKAB CC(C)(C)[C-]1C=[N+](C(C)(C)C)[P@@](=O)(O[P@]2(=O)O[C-](C(C)(C)C)C=[N+]2C(C)(C)C)O1 54387961 JNMYZDQYALOYDU-ISILISOKSA-N 448.481 6.199 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccsc3c2=O)c1 57487423 LEQFOAGSXMKJDC-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCOc1ccc(-c2nc(CSCc3ccc(Cl)cc3Cl)cs2)cc1OC 58166967 WNFFLWUIIBNRPQ-UHFFFAOYSA-N 440.417 6.958 0 40 IKAB CC(C)c1sc(NC(=O)c2cc(Br)cnc2Cl)nc1-c1ccccc1 60341606 LYDBAMSTQINDJH-UHFFFAOYSA-N 436.762 5.997 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4ccc(CC)cc4)no3)c3ccccc3c2=O)cc1 67245220 YXSXOGLTWCNYDT-UHFFFAOYSA-N 437.499 5.669 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 67245239 CVOUWYZCJXAORW-UHFFFAOYSA-N 425.513 5.738 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72214794 UWWNCPCNRABGQH-HXUWFJFHSA-N 425.529 5.317 0 40 IKAB COc1ccc(CN(Cc2cccc(O)c2)C2CCC(O)CC2)cc1SC(F)(F)F 72304897 OGPLLCWLIOADGR-UHFFFAOYSA-N 441.515 5.318 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 96398731 UUENVKHVYBAYBA-BXEQBKGESA-N 440.518 6.028 0 40 IKAB CCc1ccc(N2C(=S)N(C(=O)c3cccs3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100287886 FSFOGEMUCZJEKW-YADARESESA-N 434.586 5.798 0 40 IKAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 105544638 HORBLPIYENOYJM-UPBAHGLJSA-N 449.591 5.432 0 40 IKAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 207966703 GAJMTJQRVINVEF-QHCPKHFHSA-N 433.554 5.445 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl 222617204 BIZDJNUQNVBWGX-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222718895 BFFOBCLFFBMMCT-UHFFFAOYSA-N 425.381 5.251 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223976275 REUGHMDOHKWCSS-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCOCC1)Nc1ncc(Cl)cc1Cl 224019469 MLXKBBLYLUZAOG-UHFFFAOYSA-N 430.788 5.077 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc2c(c1)oc1ccccc12 224262813 VZUFZYNJSSORJK-UHFFFAOYSA-N 430.685 6.019 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C(C)C 224461705 OQWDJTXTNTULSI-FCHUYYIVSA-N 425.001 5.911 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224486037 KSXRGTUWXRHSJF-LJQANCHMSA-N 447.044 5.054 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225306656 MPANMCLDJAHJJQ-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Br)cc2F)cc1 225499738 VQDNJPLENUFCKH-SFHVURJKSA-N 425.367 5.671 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225646257 ZKSYGKNZVHPGCW-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225697647 ZDRSZKSENWGWND-IBGZPJMESA-N 447.044 5.197 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCc2cccc3ccccc23)ccc1Cl 225809167 BSTCTSJNDIOEJH-UHFFFAOYSA-N 426.969 5.589 0 40 IKAB CC(C)COc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 257233117 GNWZEJPCOVKUQG-UHFFFAOYSA-N 444.506 6.138 0 40 IKAB CCn1cc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)c(C)n1 257233763 GQQAVBRGANLFRF-UHFFFAOYSA-N 442.529 5.596 0 40 IKAB CC(C)c1ccc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408533756 QMQHDEWIKYBFDL-QFIPXVFZSA-N 436.577 5.003 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1)Sc1nc2ccccc2o1 408633929 NSEPZGMVPPXYPD-WQRHYEAKSA-N 431.391 6.324 0 40 IKAB Cc1cccc(-c2nc(C(=O)NC3CCCCC3)nn2-c2ccc(Cl)c(Cl)c2)c1 408692502 NWBIKTVMLXBDEJ-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)O)cccc4[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)cc1 409000880 NOFTVFLFTJTMDG-CZHCALNQSA-N 439.555 6.569 0 40 IKAB CCc1ccc(C2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)C2)cc1 409102366 SHPYKVREGLOKMN-XMMPIXPASA-N 438.449 5.417 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 409178145 GUONEMHBKBDEFN-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB Clc1ccc(OCc2cccc3ccccc23)c(CNc2ccc(Cl)c(Cl)c2)c1 409196473 WFHXUEZYUHOQEF-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O)Nc1ccccc1Cl 409242334 QVVKYXJMEJLSKD-KGENOOAVSA-N 448.931 5.682 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4cccc5ccccc45)c(=O)c23)cc1 646221 MSKRGYINDJLQDP-UHFFFAOYSA-N 425.513 5.225 0 40 IKAB Cc1ccccc1NC(=O)c1sc2nc3c(c(C(F)(F)F)c2c1N)CCCCCC3 664023 FXUQGBXJPOHRSV-UHFFFAOYSA-N 433.499 6.117 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2cccc(OC)c2o1 687530 GTEIVRJXQDQCJL-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N(C)Cc1ccccc1 900924 BEZYSGWCKLZIQT-HNNXBMFYSA-N 431.483 5.302 0 40 IKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3ccc(C)cc3)n2)cc1 929176 LSYXEGGFPLZUDW-UHFFFAOYSA-N 434.517 5.332 0 40 IKAB O=C1c2cccc3c(N4CCCCC4)ccc(c23)C(=O)N1c1cccc(Br)c1 1022478 GTKQPAFQNFGRND-UHFFFAOYSA-N 435.321 5.393 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 1333711 XMAQWYPUZHYFIU-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1cccc(Cl)c1)nc(C)n2Cc1cccc(Cl)c1 1338759 SYLAGYCBBORTIK-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB C[C@@]1(Br)C2c3ccccc3C(c3ccccc32)[C@]1(C)C(Cl)(Cl)Cl 1711921 JNUYLKYUSXCNOV-ZGUYJTEBSA-N 430.600 6.808 0 40 IKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 1772195 PCQFRLDGJFVIOS-UHFFFAOYSA-N 448.902 6.755 0 40 IKAB CC/C(=C(/CC)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccc(OC(=O)C(C)(C)C)cc1 1868497 OUMSBFSNFMXYEA-WCWDXBQESA-N 436.592 7.320 0 40 IKAB CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CCCCC4)C(=O)N32)cc1 2097984 JUKJYYXSCZQVDF-AZGAKELHSA-N 441.575 5.902 0 40 IKAB biogenic O=S1(=O)c2ccccc2N[C@@H](c2ccc(Oc3ccccc3)cc2)N1Cc1ccccc1 2179266 ZUEJOKPKJCCXHB-AREMUKBSSA-N 442.540 5.794 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)COc1ccc(Cl)cc1 2181952 DJPOSXUTOIRZFQ-UHFFFAOYSA-N 448.034 6.829 0 40 IKAB O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1-c1ccccc1)CCCC3 2181969 SYXZPSAFASTMDR-UHFFFAOYSA-N 434.586 5.497 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@H](C(C)(C)C)C3)cc1 2182396 DPFNNDMADNIKOP-HNNXBMFYSA-N 428.598 5.899 0 40 IKAB Nc1c(Br)cc2oc(-c3ccccc3Br)nc2c1Br 2211299 CUDLRNYZNURNKN-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccccc3)cc2)c2c(O)nn(C3CCCC3)c2N1 2211726 JGFIRXFEJDRWCT-JOCHJYFZSA-N 435.549 5.058 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)c1cccc2ccccc12 2368796 WMHOCKHQIKDKMC-UHFFFAOYSA-N 426.566 6.994 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 2439874 RAZUMHSQIKTJNG-UHFFFAOYSA-N 428.875 6.969 0 40 IKAB CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@H](Nc3ccccc3C)C[C@H]2C)cc1 2743036 LMZAHBRNVSYUPS-AJTFRIOCSA-N 426.604 7.238 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1nc2c(s1)CCCC2 2746370 DGXFSLYPXQVMEP-UHFFFAOYSA-N 443.528 5.033 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c(C)c1 2798639 XNDMSLBURWBHHU-OAHLLOKOSA-N 431.483 5.899 0 40 IKAB C[C@@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 2974920 GGYIHUAHJDCRLH-WIYYLYMNSA-N 445.010 7.368 0 40 IKAB Cc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(-c2ccccc2)cc1 3091075 HXEICBZHIJDYJZ-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccco2)cc1 3229786 HVDZHWXSTRSEBH-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB CC(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 3252437 SYCUFAVZAUKHJI-LFIBNONCSA-N 441.918 6.047 0 40 IKAB C[C@@H](Oc1ccc(C(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 3336024 VPSKQOFXKKXUHI-LJQANCHMSA-N 439.486 6.130 0 40 IKAB Cc1ccc(S(=O)(=O)c2ccc(-n3nc(C)c4c(C)c(Cl)c(C)nc43)cc2)cc1 3344909 XWWNREPTNBXNRL-UHFFFAOYSA-N 425.941 5.140 0 40 IKAB Cc1ccc(Nc2nc(COC(=O)Cc3coc4ccc5ccccc5c34)cs2)cc1 3418096 RUJUZWIMGVRBCH-UHFFFAOYSA-N 428.513 6.380 0 40 IKAB CC1=NN(c2ccccc2)[C@]2(SC(c3ccccc3)=NN2c2ccccc2)c2ccccc21 8442460 TZJXWXYYKGLHLR-MUUNZHRXSA-N 446.579 6.656 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c(OC)c1 8736204 STXWXZRWQOQYLJ-LJQANCHMSA-N 442.606 5.550 0 40 IKAB Cc1ccc(NC(=O)Nc2nnc(COc3ccc(C4CCCCC4)cc3)s2)cc1C 8743587 VBDKPGSCDFIZIJ-UHFFFAOYSA-N 436.581 6.426 0 40 IKAB C[C@@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2NC1=O 8879096 FFIIBVIUCILWQV-QMMMGPOBSA-N 434.361 5.409 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(=O)c5cc(C)ccc5o4)cc3)sc2c1 8915761 ABCAOAJDBIVZKA-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063724 UNMJPKBTGLCNNA-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c(OC(=O)/C=C/c2ccccc2)c1 9191991 BLQXTUKWIWOWAU-BEWKRWDNSA-N 440.499 5.012 0 40 IKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 9216648 KMFYGZYUQZOHCZ-BDYUSTAISA-N 428.532 6.116 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nnc(-c2cccs2)o1 9285889 RXIPTFIZZKVCPW-CQSZACIVSA-N 449.536 6.038 0 40 IKAB CCCCCCc1cc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)c(=O)oc2cc1O 9425637 YXHLXUHTNGUXQF-UHFFFAOYSA-N 439.964 7.065 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1 9545308 KQMVGEQOBOPFMP-UHFFFAOYSA-N 442.540 5.431 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C(C)C)n2)cc1 9582022 PDCQSYSAWGANGV-UHFFFAOYSA-N 427.932 5.293 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9847534 BRLYTSFTAHUQBW-OAHLLOKOSA-N 449.605 5.066 0 40 IKAB CCCOC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1CCOCC1 9907825 XAMPWGQVPVCCPR-UHFFFAOYSA-N 444.531 5.009 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1cccnc1Sc1ccccc1 9984408 XPXGEYNOSLPPFW-UHFFFAOYSA-N 441.438 5.085 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)C(c1ccccc1)c1ccccc1 10128850 HCZNXVJTKHTTTF-UHFFFAOYSA-N 431.491 6.231 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1 11866696 GNBLUPCUPIMLBR-SANMLTNESA-N 444.914 6.328 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)ccc1OCCOc1ccccc1 12568879 ZFSOTESDSBVYOR-UHFFFAOYSA-N 448.544 5.714 0 40 IKAB CN(Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1)Cc1ccccc1N1CCCCC1 12591441 UWDOERUIMUGJNI-UHFFFAOYSA-N 444.604 5.274 0 40 IKAB COc1cc(CCC2CCN(C(=O)c3nc(-c4ccccc4)oc3C)CC2)cc(OC)c1 12601450 JWDUXZSNPUBFKY-UHFFFAOYSA-N 434.536 5.152 0 40 IKAB Cc1nnc(SCC(=O)c2ccc(-c3ccc(Br)cc3)cc2)n1C1CC1 12785835 CLRQKBPROURXNS-UHFFFAOYSA-N 428.355 5.326 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(OC)c2)cc1Cl 12855668 RYWJPQMHCLNYIE-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB CC(C)CCNC(=O)CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12 13084531 QLXXIVGGXLMJIO-UHFFFAOYSA-N 433.499 5.570 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1Nc1cccc(C(F)(F)F)c1 13098252 CGGMQWVLTLGWLK-UHFFFAOYSA-N 439.393 5.856 0 40 IKAB COc1ccc(N(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13496055 MPCXMQLVUPEFFT-QHCPKHFHSA-N 434.561 5.204 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 13498373 QKGGPCCNRGUZCF-XMMPIXPASA-N 436.552 5.263 0 40 IKAB COc1ccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 13518309 QQAWGRLZPBJCSW-FQEVSTJZSA-N 425.488 5.031 0 40 IKAB COC(=O)c1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)cc1 13628883 FPTOQPUJIUZXEL-UHFFFAOYSA-N 448.331 5.115 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@@H]3C2=O)c1 13648377 VCKMBHWNGBOGEH-GSDHBNRESA-N 434.495 5.199 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708402 LPGJDFIRESUVFE-FQEVSTJZSA-N 427.569 6.847 0 40 IKAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 14123994 CXGVJXKGBFAKTL-XMMPIXPASA-N 447.629 5.443 0 40 IKAB O=C(c1ccc(C2SCCS2)cc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 14498694 CJGZTJFHGXOUBJ-KRWDZBQOSA-N 442.631 5.601 0 40 IKAB Clc1ccc(-c2ccc([C@H]3Oc4ccccc4[C@@H]4CC(c5cccs5)=NN43)o2)cc1 15016868 KWFMTDGEKLYMFB-YADARESESA-N 432.932 6.904 0 40 IKAB Cc1ccccc1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O 15868371 RKWLMQBZBWFWBR-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc(F)cc2s1 17094743 XVLPZLIMXAGLOI-QHHAFSJGSA-N 426.325 5.269 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cc(C)ccc1C 17103017 LKAZIUYMUDTVEM-VOTSOKGWSA-N 439.147 5.489 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc12 17197735 ZHYCDPOQKOCTHY-YFDLUXDKSA-N 434.583 7.694 0 40 IKAB O=C(c1cn(CCOc2ccccc2F)c2ccc(Br)cc12)C(F)(F)F 18190468 OOQCQZZKAAYLEU-UHFFFAOYSA-N 430.195 5.367 0 40 IKAB CC(C)n1cc(C(=O)N2CCC[C@@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cn1 19454903 SUKLNYWKQKSMCD-CQSZACIVSA-N 449.502 5.021 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(C[C@H](C)c2ccccc2)C4)cc1 20610334 WKMULFHPVVXFFW-SFHVURJKSA-N 427.500 5.424 0 40 IKAB biogenic CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 22508986 XQGOBKAAKVHHGO-UHFFFAOYSA-N 428.532 5.459 0 40 IKAB CCCOc1ccc(C(=O)N(CCC)Cc2nnc(-c3ccccc3Cl)o2)cc1OC 23054880 WFXOQMXXWLULMX-UHFFFAOYSA-N 443.931 5.240 0 40 IKAB O[C@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccc(OC(F)F)cc2)C2=[N+]1CCCCC2 27525173 BUXVKUUWDBAAMJ-MHZLTWQESA-N 449.521 5.605 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=O)c2cccc(COc3ccccc3)c2)cc1OC 32115495 ODHKRIIQMMDZLJ-UHFFFAOYSA-N 432.520 5.655 0 40 IKAB COc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2CCC(C)C)c(C)o1 32984675 VRDMBCGINNCRGU-UHFFFAOYSA-N 449.576 5.707 0 40 IKAB CCCCN1C(=O)S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C1=O 35042177 SDEPGASCZHBTJM-KGENOOAVSA-N 445.968 6.154 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35270339 BENKGOOYDVLJOX-HNNXBMFYSA-N 448.906 5.570 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)Nc2ccccc2)cc1 35311751 RKKRMQZEPNQRLB-UHFFFAOYSA-N 445.950 6.440 0 40 IKAB Cc1ccc(/N=C2/NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1C 35646195 YSXPOKZXAMKHGC-JAIQZWGSSA-N 443.355 6.762 0 40 IKAB Cc1cc(Br)ccc1NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 36811771 NYJXCZJIWATCFG-OAQYLSRUSA-N 437.337 5.257 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1NCc1ccccc1Cl 39404196 NFTWAQQOUWLPOK-UHFFFAOYSA-N 430.938 5.501 0 40 IKAB COc1ccccc1OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@@H]2[C@H]1c1ccco1 40158963 SOJDOXYXNCNABX-XRXSUNGDSA-N 432.476 5.083 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 40257522 IXRQAAHIJUDIRQ-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc(NC(=O)C3CCCCC3)cc2)cn1 49421858 NGGBXOUDOBEFBD-UHFFFAOYSA-N 436.943 5.356 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356066 WIVMLRWIKZILAX-NRFANRHFSA-N 439.481 5.414 0 40 IKAB C/C=C\c1c(C(C)C)nc(C(C)C)c([C@@H](C)O)c1-c1ccc(F)cc1OCc1ccccc1 85475030 HERVQUFQZXZOBU-RVPHRTOXSA-N 447.594 7.800 0 40 IKAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)c3ncc(Cl)cc3Cl)c12 89567345 FJFXWPMPWHVRRL-UHFFFAOYSA-N 432.355 5.351 0 40 IKAB O=C(Nc1nnc(SCc2coc(-c3ccc(Cl)cc3)n2)s1)c1ccccc1F 95482159 SCIMMEPSZRHLQF-UHFFFAOYSA-N 446.916 5.530 0 40 IKAB Brc1nc2ccccc2n1C(c1ccccc1)(c1ccccc1)c1ccccc1 95535306 YWAHLGPMWPKIOY-UHFFFAOYSA-N 439.356 6.639 0 40 IKAB Cc1nc(CSc2ccc(-c3nc(-c4ccc(Br)cn4)no3)cc2)cs1 97141552 RKNYFIOPYUIVJM-UHFFFAOYSA-N 445.367 5.618 0 40 IKAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCc2ccccn2)cc1Cl 98001003 ASSDDQKBOCBEIM-PDGQHHTCSA-N 441.965 5.482 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)OCC(=O)c5ccc(Cl)s5)(C4)C2)C3)cc1 102741823 GTRGATRIXUCMAU-WADIDORASA-N 428.981 5.974 0 40 IKAB Cc1ccccc1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 104305786 HAJSPFZPCNABHV-SDXDJHTJSA-N 438.483 5.419 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106725689 SLNFTYPIQWUIBB-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)c2ccccc2O1 222600648 GGPRSPRMZHNXDM-HZBNVGEHSA-N 441.571 6.435 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 222886890 CVOPEAXXMBQIBF-PMACEKPBSA-N 441.398 5.017 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 223013516 KRPXZNNGOWDIFP-LJQANCHMSA-N 446.827 6.162 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 223015798 HHOOHNXPJZFMQN-QFIPXVFZSA-N 428.960 5.507 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 223060896 UDGAHDPPSJFENL-PMACEKPBSA-N 445.003 5.139 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 223217858 OETZKSCNLVRKMJ-QFIPXVFZSA-N 429.004 5.303 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1nnc(-c2ccc(Cl)cc2)s1 223639559 FILAURFNGOUSBT-JTQLQIEISA-N 438.734 5.027 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223640220 PZPJUZXGNBGLPA-RUZDIDTESA-N 438.612 5.186 0 40 IKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCc3ccccc3C2)nc1 223911617 GJCQMSHBPCMJRL-UHFFFAOYSA-N 440.572 5.391 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1Br 223978295 WQPAEYCDPUWJSH-UHFFFAOYSA-N 432.295 5.158 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)(C)C 224171857 DAHYAHFKYBCFGX-UHFFFAOYSA-N 433.548 6.141 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224184379 GIENTOXTQLNOKH-DNQXCXABSA-N 445.975 6.481 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 224214359 LZUJIUSIPAJQPW-BJKOFHAPSA-N 443.597 6.311 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224232058 LOKPFOBFDPRFHG-UHFFFAOYSA-N 433.504 5.437 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cccc(Cl)c1 224490459 AZDYKACDUZSVHR-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COCc1ccccc1 224749627 AGLHANPGSUTJEL-UHFFFAOYSA-N 425.912 5.716 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)ccc1F 224889305 ALQDPUBNKRYHTN-MSOLQXFVSA-N 448.386 5.530 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225114591 VFPPANZMWYLCJK-YADHBBJMSA-N 436.640 5.557 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225159516 KAVDPSYVRBIEOD-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB Cc1ccccc1CSCCCNC(=S)Nc1ccc(Br)cc1F 225601250 RYVGMWJKOQELSC-UHFFFAOYSA-N 427.408 5.507 0 40 IKAB COc1cc(C)c(C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1C(C)C 225658453 KEULVPMGRRTSLR-UHFFFAOYSA-N 426.409 6.097 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OCC 225762518 BPUMMBUFFGPDRB-UHFFFAOYSA-N 441.543 6.022 0 40 IKAB CCOc1cc(C(=O)OC)cc(Br)c1OC(=O)c1cccc2ccccc12 226364783 WKFYSNHNRCOJIN-UHFFFAOYSA-N 429.266 5.007 0 40 IKAB Cc1ccc(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c(OCC(=O)O)c1 257232149 GJPWJPTWLIQUOT-UHFFFAOYSA-N 430.479 5.371 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 408547917 OOBQYUCFAOKGKA-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCOc1ccc(/C=C(/Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1 408634357 UTBDXERXISOLPX-WOJGMQOQSA-N 446.912 5.405 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)c1C 408666901 AEFMKETUICIKLA-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)O)cccc4[C@H]4[C@H]5CC[C@@H](C5)[C@@H]43)cc2)cc1 409000885 NOFTVFLFTJTMDG-WXZPOPETSA-N 439.555 6.569 0 40 IKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1CCc1ccccc1 409004878 BYMWJONQEHMZHZ-DHDCSXOGSA-N 438.730 5.087 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409015164 APNCGGXAOCPOMT-NGZBARDMSA-N 434.517 5.223 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)cc2OCC)C1=O 409207949 DENRVNKLEKRILD-BOPFTXTBSA-N 442.375 5.473 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CC1CCN(C)CC1 643581801 AQGRFSFCEUTUPH-VWLOTQADSA-N 449.639 5.166 0 40 IKAB Cc1ccc(CN2Cc3ccccc3CC3(CCN(C(=O)C4CCCCC4)CC3)C2=O)cc1 1565552702 TTZJSBSHCPJNTA-UHFFFAOYSA-N 444.619 5.269 0 40 IKAB 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(C)CCc2ccccc2)C1 2049238417 QXDFHJAYYMOLSW-NBFWLGTNSA-N 436.680 7.600 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 676517 YOJPFDXSDMELGY-UHFFFAOYSA-N 428.535 5.026 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 1239987 APZCHBOWEPMMQW-SANMLTNESA-N 436.515 5.246 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3C)c3ccc(Cl)cc32)cc1 1320474 CKVCCWUCNBIFHF-SANMLTNESA-N 433.935 5.273 0 40 IKAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)n2)c1 1360352 RZWMBEOAZYLRLJ-OAHLLOKOSA-N 446.429 5.176 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@@H](C(C)C)OC3 1760724 WHFQAMRGDHEMGN-IBGZPJMESA-N 442.650 6.135 0 40 IKAB CCc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 1863150 GFMVMEJVXMHRIQ-MUUNZHRXSA-N 443.543 5.752 0 40 IKAB CCc1sc(N(C(=O)C2CCCCC2)c2cccc(F)c2)nc1-c1ccc(OC)cc1 2170825 HTYCPELUGNOWOB-UHFFFAOYSA-N 438.568 6.765 0 40 IKAB CCc1cc2c(=O)n(-c3ccc(Cl)cc3)c(SCC(=O)c3ccccc3)nc2s1 2180560 RYHBVGLVMHVLSI-UHFFFAOYSA-N 440.977 5.638 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2283121 NMRLHRPHQLTQTC-AWEZNQCLSA-N 446.638 5.893 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccccc1Br)[C@H](c1ccccc1)C1CCCC1 2322145 CZBDQWZOHJGURP-RPBOFIJWSA-N 448.404 6.629 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccc(Cl)cc1)N2)c1ccco1 2420438 IZCPYBGYFBVIRV-MSOLQXFVSA-N 437.862 5.062 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1 2452893 QPESGCGXWPNEPT-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB C[C@@H]1CCCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)C1 2715091 NWARYGWLCPPUFE-QGZVFWFLSA-N 447.380 6.086 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012864 QXMAFEYIHKQMRE-DZGCQCFKSA-N 445.228 5.696 0 40 IKAB O=c1c(Cl)c(Sc2ccc(Br)cc2)cnn1-c1cccc(Cl)c1 3104682 MDKGWTMPXVKQTL-UHFFFAOYSA-N 428.138 5.453 0 40 IKAB Cc1ccc(-n2nc(C)c3c2N=C2C(Cl)=CC(Cl)=CN2[C@H]3c2ccccc2C=O)cc1 3290035 MBNYTADRMBGCHF-QFIPXVFZSA-N 449.341 5.953 0 40 IKAB O=C(CSc1ncc(C(=O)O)n1-c1ccc(F)cc1)Nc1ccccc1-c1ccccc1 3325228 TVFLITOLSGCGNL-UHFFFAOYSA-N 447.491 5.107 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2F)n1-c1ccc(OC(F)F)cc1 3360498 CMMMOOQDXBXJIV-UHFFFAOYSA-N 428.435 5.419 0 40 IKAB COc1ccc(CN(CC[C@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1OC 4073368 KKSMWVZGZWUOSG-CLJLJLNGSA-N 433.633 5.700 0 40 IKAB biogenic CCCCCCN(CCCCCC)C[C@H](O)c1cc(-c2ccccc2)nc2ccccc12 4366744 HESVKTOVSJMRKM-LJAQVGFWSA-N 432.652 7.398 0 40 IKAB CN(C(=C(N(C)c1ccccc1)N(C)c1ccccc1)N(C)c1ccccc1)c1ccccc1 4984199 YQSXKGUPPXRUSR-UHFFFAOYSA-N 448.614 6.659 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)c(F)c2)cc1 6146052 YXLFSMJZEMFUMN-UHFFFAOYSA-N 430.476 5.141 0 40 IKAB CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc12 8442257 ZHYCDPOQKOCTHY-DAHFRFBJSA-N 434.583 7.694 0 40 IKAB CSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C(C)(C)C)cc1 8598081 DMIVZZZOSODKPN-UHFFFAOYSA-N 440.657 5.383 0 40 IKAB c1ccc(Cc2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2ccccc2)cc1 8756740 KDOVSRLONODAPQ-RUZDIDTESA-N 440.506 6.154 0 40 IKAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)N1c2ccccc2Sc2ccccc21 8825097 VPHGGDPKVZOJTJ-UHFFFAOYSA-N 436.842 5.350 0 40 IKAB COc1cc(NC(=O)COc2ccccc2Cl)ccc1NC(=O)c1ccccc1Cl 8832326 PIANQUCXYUHTQU-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB CCC(=O)N(c1nnc(SCc2cc3ccc(C)c(C)c3nc2Cl)s1)C1CC1 9222411 JLELGLUXAAMJMH-UHFFFAOYSA-N 433.002 5.554 0 40 IKAB CN1CCN(c2nc3ccc(OC(=O)c4sc5ccccc5c4Cl)cc3s2)CC1 9316233 CUGXXMUORYZBHS-UHFFFAOYSA-N 443.981 5.135 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 9332356 IQDBDUNKWBFWHB-UUFSLDAJSA-N 437.478 5.125 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N[C@@]23Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 9427560 SDFVAJIAKRPUBW-OYLLOQDESA-N 439.540 5.690 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)c1nnc(-c2cccs2)o1 9497468 XCJWYGBQTGXROH-VIFPVBQESA-N 435.328 5.464 0 40 IKAB COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1cccc(C)c1 9640148 ZRZHDTWBUSCIMM-UHFFFAOYSA-N 443.568 6.510 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 9669420 KCUIOQAOFITILK-HSZRJFAPSA-N 444.560 5.365 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)nc2c1 9892090 HLLZZMIXGGMZBE-UHFFFAOYSA-N 434.923 6.399 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 10025388 WCMGHZAQPFFEMD-UHFFFAOYSA-N 433.515 5.594 0 40 IKAB Cc1cc(-c2cc(C(=O)Nc3cccc4cccnc34)c3cnn(C(C)C)c3n2)c(C)o1 10225579 PIAFZBBPBXSERI-UHFFFAOYSA-N 425.492 5.690 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)c1cc(Cl)sc1Cl 11852366 ABJCJNOCJZSDCW-UHFFFAOYSA-N 430.190 6.799 0 40 IKAB CC(C)(C)c1cn2c([nH]1)c(-c1nc(-c3ccc(Cl)cc3)cs1)c(=O)c1ccccc12 12879257 FDWAVUBDMMOLIU-UHFFFAOYSA-N 433.964 6.522 0 40 IKAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13025477 KVNLBWVYAHDVPH-RUZDIDTESA-N 446.547 5.121 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2cccc(C)c2)C(=O)c2ccco2)cc1 13026841 QKXKZOJFBHXPEA-AREMUKBSSA-N 444.575 5.381 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)NCc1ccc(F)cc1 13101653 FPTJODSILIJZNY-UHFFFAOYSA-N 442.535 5.137 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c1 13128143 WUSKQRVBLGGRQD-HXUWFJFHSA-N 447.560 5.006 0 40 IKAB O=C(/C=C\c1ccccc1)N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 13305795 WVOIEORSEWMOPI-BDJZEXMMSA-N 449.559 5.354 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccc(F)cc2)cc1 13502393 ADZALPUICKMLFS-VWLOTQADSA-N 445.538 5.366 0 40 IKAB Cc1ccc(NC(=S)N(CCCN2CCOCC2)Cc2cccc3ccccc23)cc1 13732372 REIPHDPTXZQDSN-UHFFFAOYSA-N 433.621 5.070 0 40 IKAB Cc1ccccc1-n1c(/C=C/c2ccc(Br)cc2O)nc2ccccc2c1=O 13739127 MHYZTSCNTCYKSW-ACCUITESSA-N 433.305 5.333 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992099 LMSFXXDXFPEUBZ-UHFFFAOYSA-N 431.517 6.478 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@H]2[C@H]1c1cccs1 15906023 JFKHTAOEQKQUED-LPMGRZKESA-N 439.005 6.900 0 40 IKAB O=C(O[C@@H]1CCCCC1=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(Cl)cc1)CC2 15910364 CLADUDXZDRDGAB-CZTSOZTGSA-N 431.919 6.044 0 40 IKAB O=C(N[C@@H](CC(=O)N1CCC[C@H](C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl 15940926 KSKWTBIDBIRVHW-LPHOPBHVSA-N 438.877 5.002 0 40 IKAB Cc1ccc(C(=O)Oc2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)cc2)cc1 15947836 GCNAASKWBQDLSQ-NYHFZMIOSA-N 432.545 5.829 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 17095988 MIJHKXGLJBIJNV-UHFFFAOYSA-N 428.536 5.723 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)c1 17101152 NLTCPIDREMVIJE-XBXARRHUSA-N 437.326 7.070 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc1Cl 20411744 AMHFYXIZQGEYJQ-UHFFFAOYSA-N 439.320 5.429 0 40 IKAB CCOc1cc(CNn2c(CC)n[nH]c2=S)cc(Cl)c1OCc1ccccc1F 22110489 IYMAFRVTEPMCOX-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1CCN(Cc2cccs2)CC1 23128054 IDUVQKVDAVMGKZ-UHFFFAOYSA-N 429.973 5.007 0 40 IKAB C[C@H](Cc1ccc2c(c1)OCO2)[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 23410496 URIUZPZKVODFIY-QUGAMOGWSA-N 437.499 5.241 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCc1ccc(F)cc1 24765177 CGNVTMOXRLEPTL-UHFFFAOYSA-N 446.931 5.160 0 40 IKAB C[C@H]1CCN(C(=O)c2cc(C3CC3)nc3c2nc2n3CCCCC2)c2ccccc2S1 24979624 YPGSQJWJEJIJSV-INIZCTEOSA-N 432.593 5.566 0 40 IKAB O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131688 XYEKNSBJTLSHHL-OAHLLOKOSA-N 438.496 5.716 0 40 IKAB COc1ccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770765 RUHHGNGKCGHWLP-VWLOTQADSA-N 442.584 6.827 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 30872229 BTAMFCCUBFRQMR-IBGZPJMESA-N 427.548 5.030 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)c1 32126970 VPXZOYQWBXBDOW-UHFFFAOYSA-N 437.524 6.083 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl 33326056 JPVJYRKSKMIJME-SFHVURJKSA-N 427.957 5.341 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3Br)o2)cc1C 33787393 QGFSGHBXLMSTLB-UHFFFAOYSA-N 429.339 5.453 0 40 IKAB OCC[C@H]1CCCCN1c1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cn1 40149337 WGSWTBNGXARIPZ-HXUWFJFHSA-N 445.592 5.107 0 40 IKAB COCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397791 IVMODVLVMXADID-QRWLVFNGSA-N 436.943 5.262 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(Br)cc2)cc1 40485884 MMEVZIKZPKLYLR-OAQYLSRUSA-N 435.321 5.205 0 40 IKAB CCc1cccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c1 46005303 AACNCTNEEHUVLE-UHFFFAOYSA-N 438.556 5.843 0 40 IKAB O=C(NC1(c2nc(-c3ccccc3)no2)CCCCC1)c1ccc(Br)cc1 65257856 GOZAUPMPGAGVFQ-UHFFFAOYSA-N 426.314 5.089 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1 72215809 DVIORNWVEDFFFL-QHCPKHFHSA-N 443.547 6.132 0 40 IKAB C[C@@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1nc2ccccc2n1C(F)F 84667844 HTIKKYOBIJUTPH-ZCFIWIBFSA-N 435.645 5.287 0 40 IKAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4cccs4)CC3)cc21 96155649 CFDDALNMKQAXMJ-UHFFFAOYSA-N 431.565 5.156 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccccc4)C3=C(O)C2)cc1 104161939 OZGPFWHAIRPXKW-LYZGTLIUSA-N 438.527 6.265 0 40 IKAB CCOc1cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc(Cl)c1OCC 108946849 ZHHBKGYDNYQHKB-UHFFFAOYSA-N 438.907 5.844 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1CSc1ccc(Cl)cc1 224391217 RVKXDLMGPTYRLN-UHFFFAOYSA-N 425.981 6.818 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 224664451 BHSYZMBITNEZPQ-XMMPIXPASA-N 438.612 5.077 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC(C)C 225087156 OWYJAGYNUXADRS-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225491663 BUVMKDAZYICYHC-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225495643 MTRVWCUUZASONO-XUZZJYLKSA-N 440.653 5.508 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@@H]4C)cc3)CCCC2)cc1 225531589 AKTIBDRJIIRAAU-NRFANRHFSA-N 436.596 5.399 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225652050 AVVRMCJSCIGUMF-ATIYNZHBSA-N 432.649 5.892 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766335 WABMYHXXVNPKIG-LJQANCHMSA-N 435.995 7.511 0 40 IKAB CCc1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308471 WHPWRZRQZRGIOK-UHFFFAOYSA-N 446.727 5.948 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 239402822 RFBBNAHDSTYUGA-KYOGTECMSA-N 432.490 5.098 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccncc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242722991 YAVJNCRQEPHRIC-JBEUYMCYSA-N 439.684 6.175 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1 408546155 CMUQRKUADJHRLQ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2C)cc1Cl 408558393 UIDOBWPEHKMCTL-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 408579083 MMBIOTCYJXWOQR-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCc1nnc(S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(=O)O)o1 408631114 FCAPJDTTYPTSHM-LCYFTJDESA-N 431.520 5.204 0 40 IKAB CCc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 408673661 XKPJFKUGTNEXDC-NRFANRHFSA-N 427.544 5.533 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc3ccccc23)cc1 408675085 GIIJUKNBVHKJDP-UHFFFAOYSA-N 434.495 5.980 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccccc2)c2ccc(Cl)c(Cl)c2)cc1 408684755 NYRIYIPBDSTILJ-QFIPXVFZSA-N 433.356 6.090 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC 408902347 NDCVXJYQAPPEIX-ITRAFESCSA-N 431.941 6.157 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CCc1ccccc1 409008065 VOOPMYBJHUGRHF-KQWNVCNZSA-N 449.959 6.198 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1 409133299 QAOKXASUIRSHNI-XIEYBQDHSA-N 443.568 6.243 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1CC1CCCCC1 409143009 YLFXQUAMJZBTTD-ZVHZXABRSA-N 448.563 6.445 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c1 409407835 AHJPHIBRTRZDID-UHFFFAOYSA-N 437.005 5.168 0 40 IKAB O=C(c1ccccc1F)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443285 SIHUCVQWOYDNBJ-UHFFFAOYSA-N 441.293 6.505 0 40 IKAB Cc1cccc(C)c1C(=O)N1CCC2(CCCCc3ccccc3OCCN(C)C2)CC1 643570867 UQVWFQITIUXFKI-UHFFFAOYSA-N 434.624 5.263 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 843895 CSWOQINTUWSVGN-QFIPXVFZSA-N 437.396 5.984 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccco2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 863399 XZBONOJZEFJXDF-UHFFFAOYSA-N 446.912 5.293 0 40 IKAB COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 1435849 VXVCAXJSVUXFOO-QFIPXVFZSA-N 433.891 5.440 0 40 IKAB O=C1Nc2ccc(Br)cc2C(c2ccccc2Cl)=N/C1=C/c1ccoc1 1510292 HKKAOSKGRKWKFU-GIJQJNRQSA-N 427.685 5.526 0 40 IKAB COc1ccc(C(=O)Oc2ccccc2-c2ccccc2)cc1I 1796949 BPIWGDYBHWCOPG-UHFFFAOYSA-N 430.241 5.186 0 40 IKAB COC(=O)CN1C(c2ccc(Cl)cc2)=Nc2ccc(Cl)cc2[C@@H]1c1ccccc1 1826718 PPFSIISDLIQSBY-QFIPXVFZSA-N 425.315 5.650 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c(C)c1 1857872 YWCBBWNDVNLWEE-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 2093989 PBEBECYVKAGAMH-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(OC)cc1)N(c1ccc(OC)cc1)C(=O)C2 2156801 PXFIGWQJJVTBOX-HHHXNRCGSA-N 447.531 5.180 0 40 IKAB biogenic COc1ccccc1-c1nnc(SCc2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2211866 AMNOIAVHDXTZCM-UHFFFAOYSA-N 429.589 6.533 0 40 IKAB Cn1cc(-c2cc(-c3ccccc3)[n+](-c3nccs3)c(-c3ccccc3)c2)c2ccccc21 2299644 ICRJWLHPJNXGQY-UHFFFAOYSA-N 444.583 6.913 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccccc1 2354753 PCDFVSXWLASOAJ-DEOSSOPVSA-N 425.981 6.024 0 40 IKAB C[C@H](CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2664356 VPBQNTVSHIEFAW-MRXNPFEDSA-N 434.008 6.934 0 40 IKAB COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)c(C)c1 2889735 GBNYFRKVSHQSKW-UHFFFAOYSA-N 444.350 5.833 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc2cc(Cl)ccc2oc1=O 2951600 BVXLYASZOLFRDI-UHFFFAOYSA-N 426.255 6.144 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(N4C(=O)CCC4=O)cc3)n2)cc1 3258113 DCHLUILRSUCREO-UHFFFAOYSA-N 433.533 5.013 0 40 IKAB CCc1ccc(OCc2nnc(SCc3ccc(F)cc3Cl)n2CC(C)C)cc1 3318196 PWLJHEXOHWHNIE-UHFFFAOYSA-N 433.980 6.160 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 3353091 LGYYBZUFEZMONT-UHFFFAOYSA-N 432.951 5.422 0 40 IKAB Cc1nc2ccccc2c(C)c1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C(C)C 3406436 VKYMQCDTTFIWCZ-UHFFFAOYSA-N 448.954 5.535 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 3655538 SRIBCERYDFTJJU-MRXNPFEDSA-N 433.891 6.032 0 40 IKAB COc1cccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)c1OC 4767890 MCLNMBUNDSGBIH-QHCPKHFHSA-N 447.535 5.218 0 40 IKAB CCc1ccccc1NC(=O)CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 6860733 NHMBFDGAKVGZIN-UHFFFAOYSA-N 439.993 6.305 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)NC2=S)cc1 8438955 WVDCQALSHVWTCF-JCMHNJIXSA-N 448.519 5.066 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 8452504 CPETXWHEDQNDCE-UHFFFAOYSA-N 432.882 6.066 0 40 IKAB COc1cc(OC)c(OC)cc1/C=C/c1ccc2cccc(OCc3ccccc3)c2n1 8452981 KDISHTPUCYYOOS-FYWRMAATSA-N 427.500 6.010 0 40 IKAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)c2cccs2)C1 8624043 JQBKVUNSNCNFPX-NVXWUHKLSA-N 431.483 5.412 0 40 IKAB biogenic,in-vitro Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 8758443 LUCCIALKDZIMRP-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)CCc3ccccc3)C3CCCCC3)n2)cc1OC 9042773 NNLLYCCLPKEWKK-UHFFFAOYSA-N 449.551 5.048 0 40 IKAB CCn1c2ccccc2c2cc(N[C@H]3c4ccccc4C(=O)N3CCc3ccccc3)ccc21 9113059 DJAXGAFGDQQFLN-GDLZYMKVSA-N 445.566 6.624 0 40 IKAB Cc1ccc(CNc2nc(-c3cccnc3)nn2C(=O)/C=C/c2ccc(Cl)cc2)cc1 9288852 PKQQUCHLBKIIJP-JLHYYAGUSA-N 429.911 5.268 0 40 IKAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2ccc(OCc3ccccc3)cc2)SC1 9478613 YUXWALYSBMRXAC-RUZDIDTESA-N 441.556 5.935 0 40 IKAB CCCN(C(=O)c1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 9606464 NDGIPTDNCMRAIK-UHFFFAOYSA-N 435.774 6.283 0 40 IKAB COc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)c1 9674140 OHKZSVPEVWVPDV-UHFFFAOYSA-N 436.562 5.248 0 40 IKAB CCc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccc(Cl)cc23)cc1 9676025 LQIOKIXJSPCBNL-UHFFFAOYSA-N 432.354 7.418 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9712484 VUTBOYDCUBYUHI-INIZCTEOSA-N 437.565 5.887 0 40 IKAB O=C(CSCCCOc1ccc(Cl)cc1)Nc1c(Cl)cccc1C(F)(F)F 9882682 VMQJNUYWCZVZJI-UHFFFAOYSA-N 438.298 6.153 0 40 IKAB COc1ccc(-c2cc(O)c3nnc4c(-c5ccc(Cl)cc5)c(C)nn4c3c2)c(OC)c1 9939242 HQVYENVTGQDBDJ-UHFFFAOYSA-N 446.894 5.296 0 40 IKAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 10253622 PHQOINOADUCMNX-UHFFFAOYSA-N 436.558 5.398 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(NS(C)(=O)=O)c(C)c1 10327962 VQJBJQGWOXFOKZ-UHFFFAOYSA-N 440.590 5.220 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(Cc2ccccc2F)S(C)(=O)=O)cc1 10365750 OWCKRTARODBWMP-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)CSc4ccc(Cl)cc4)n3)oc12 10748738 CNQFLDVHRZKMBY-UHFFFAOYSA-N 430.938 5.949 0 40 IKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1Cl 12752584 XWHVGBYRFDXMNR-UHFFFAOYSA-N 443.912 5.491 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 12784627 KXZMKMRSXBNTQP-UHFFFAOYSA-N 428.561 5.289 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCCCC2)cc1 12877190 SLDVEIXWONUKIY-UHFFFAOYSA-N 448.636 5.495 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N[C@@H](C)c1ccccc1F 12927562 FDOSJHYVPQDHHN-SFHVURJKSA-N 429.495 5.237 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2c(C(=O)O)sc3cccc(F)c23)n1 12985895 HYERJGSVCPQPLY-UHFFFAOYSA-N 449.916 5.478 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)n1 13097485 VTRVNMOUHVWNOM-MRXNPFEDSA-N 437.586 5.661 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1C 14095564 XBWWWVTUVBHYLU-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB O=C(CN[C@H](c1ccccc1)c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 14142362 MPTXVOXIWWWTQZ-RUZDIDTESA-N 441.556 5.318 0 40 IKAB Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)n2)cc1F 14196543 MTDMFEZDFKSKNO-UHFFFAOYSA-N 447.495 5.376 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16699080 JIBNQKLNGVPJFR-UHFFFAOYSA-N 442.437 5.229 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCC(C)C)n2)cc1 16843548 QMLIPEILKBEZIC-UHFFFAOYSA-N 426.567 5.155 0 40 IKAB CC1(C)[C@@H]2CC[C@H](O2)C(C)(C)[C@@H]2CC[C@@H](O2)C(C)(C)[C@@H]2CC[C@@H](O2)C(C)(C)[C@@H]2CC[C@@H]1O2 18270713 DPCOSXVVGHPESL-IOXYFULCSA-N 448.688 6.295 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC(c4cc5nc(C(F)(F)F)ccc5[nH]4)CC3)cc2s1 19286565 XAHNPFKMODMAQW-UHFFFAOYSA-N 444.482 5.520 0 40 IKAB CC(C)n1cc(C(=O)N2CCC[C@H](c3nc(-c4cccs4)cc(C(F)(F)F)n3)C2)cn1 19454905 SUKLNYWKQKSMCD-AWEZNQCLSA-N 449.502 5.021 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 19691272 UVWHUYCMGMWTCM-DEOSSOPVSA-N 446.522 5.264 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)c2cn3cccc(C)c3n2)n1 19691912 UPKXYYXNNXYVAF-XMMPIXPASA-N 428.511 5.053 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2cccc(Br)c2)o1 19929309 SZYNOYGAIVZEPL-UHFFFAOYSA-N 425.735 5.665 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20112586 WVLVECWNTNWDCY-OAHLLOKOSA-N 426.409 5.934 0 40 IKAB COc1cc(NC(=O)c2ccc(OCc3ccccc3)cc2)ccc1-c1ccc(CO)o1 20145018 LQWSKRUAVMNEHD-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB CC(C)(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)/C=C/c1ccccc1Cl 20467915 OKBUJXBJPILMGY-JLHYYAGUSA-N 430.335 5.884 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccccc4F)ccc3o2)cc1Br 20969318 RGPYVTIJNSWTHX-UHFFFAOYSA-N 441.256 5.657 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccc(Br)cc1 22072561 IGLKSRYDROEBLP-UHFFFAOYSA-N 437.124 6.147 0 40 IKAB Cc1ccc(-n2c(SCc3noc(-c4cccs4)n3)nc3ccccc3c2=O)cc1 30023189 RYEJBHBUIYMTLV-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB O=C(Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1cccs1 33670971 LKGOPVSBWYSYHZ-UHFFFAOYSA-N 447.368 6.774 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 38848528 RPPDREOVHBIOAY-LJQANCHMSA-N 437.436 5.255 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)CC1 38854602 JTIKIZNJZGRJDS-UHFFFAOYSA-N 433.596 5.233 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 39556202 OQVGZIKNHUNVSU-LPYMAVHISA-N 427.891 5.440 0 40 IKAB O=C(Nc1ccccc1CN1CCc2ccccc21)c1ccc(F)cc1Br 40150642 HHPJNHRXMOLAGZ-UHFFFAOYSA-N 425.301 5.403 0 40 IKAB Cc1nc(N2CCN(Cc3ccc(Cl)cc3)CC2)c2c3c(sc2n1)CCCCC3 58146508 JYMNOBYDIUXUAB-UHFFFAOYSA-N 427.017 5.244 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1cc(F)c(Cl)nc1Cl 89851072 GSMYEJZUAFHTHS-UHFFFAOYSA-N 428.250 6.102 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1Br 96194500 QWXOUQNJMMRFJH-RUZDIDTESA-N 442.356 6.636 0 40 IKAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc(Br)cc1 96305704 RZGCPCJURHGARJ-UHFFFAOYSA-N 433.110 5.072 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H]3CC=CCC3)CC2)on1 100743891 CYSOJEYJVWRUJI-ZCNNSNEGSA-N 436.600 5.484 0 40 IKAB BrC1=C(c2ccccc2)[C@H]2CCCC[C@@H]2[C@@]1(Br)c1ccccc1 104136135 BPNRCGIFCBGTDU-WFXMLNOXSA-N 432.199 6.903 0 40 IKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 216286326 PBLLMDIMRYZAAG-DEOSSOPVSA-N 433.523 6.150 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 222541997 NJXHVVCFQPUJHQ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 223127680 GLXBYVUEBWOYFE-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1 223948830 NWSDEPLIGFHYDW-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 224238643 RNTPZUBHUDCDBP-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1C 224256837 VAXLMSJHKYVEBG-RBUKOAKNSA-N 444.423 5.700 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(OCCSc2ccccc2)cc1 224381920 WYHWMVOFQUTLJE-UHFFFAOYSA-N 425.553 6.362 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 224575254 DZWCUURLTPCAGX-DQEYMECFSA-N 440.572 5.366 0 40 IKAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4ccc(Cl)cc4C(=O)c4ccccc4)cn1c23 225862647 MOSHYYCQGDKEAB-OAHLLOKOSA-N 442.902 5.255 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@@]54C)[C@H]2[C@H]1OC3 248328627 BZNIIOGSANMIET-UFMXOLMVSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257284770 PEFKLRXIQGYONG-HSZRJFAPSA-N 430.483 5.162 0 40 IKAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408575425 UVOYJLYIQZYCSZ-JQIJEIRASA-N 448.544 5.430 0 40 IKAB COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1c(F)cccc1Cl 408577445 SORWCVZECIWHDY-UHFFFAOYSA-N 429.944 5.840 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Br)cc2Cl)CC1=O 408641742 MMWISBJJOOAYKW-HNNXBMFYSA-N 449.776 5.219 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)c(C)c1 408700229 ZTPGMCYQBSWRBX-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(C)cc1 409094893 GODSKOKULKAXMI-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(Sc4ccc(Cl)cc4)s3)C2=O)c1 409221537 RQLMBHAIEZUKPQ-XDHOZWIPSA-N 440.977 5.954 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1Cl 409269417 JBVOHHPUXGOQDI-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409355562 CVZVRMRCLRXSQX-JHDSZEHQSA-N 438.549 5.156 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)c(C)c1 409374194 KRAHGVWEIAEECB-NDENLUEZSA-N 438.549 5.074 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 409408894 DYLDOCYAJMNDNK-GIDUJCDVSA-N 426.925 5.101 0 40 IKAB COc1ccc([C@@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1OC 646193 HKFVANYKMNCOCC-VWLOTQADSA-N 432.545 6.020 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c(C)c1 650629 KHGKDMUKWFWGDJ-UHFFFAOYSA-N 442.588 5.649 0 40 IKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)ccc1Br 674654 XSBUZJDRJKHEJM-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB Cc1ccc(C)c(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c1 800054 XMBNESOQBYJEJM-LJQANCHMSA-N 438.515 5.450 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)cc12 878433 XQJPKTISBWBYBW-UHFFFAOYSA-N 435.524 5.276 0 40 IKAB O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 900547 FRGAZKKGRJIQLJ-UHFFFAOYSA-N 448.979 5.567 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N2CCN(c3ccccc3F)CC2)c2ccccc2n1 999399 FNXWMWNMZFJCGX-UHFFFAOYSA-N 425.507 5.312 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1 2368316 LRFHRAYIANIBOZ-HXUWFJFHSA-N 434.904 5.313 0 40 IKAB COc1ccc(CN(C)Cn2nc(-c3ccccc3F)n(-c3ccc(C)cc3)c2=S)cc1 2633604 PTNPOSKRQISHOM-UHFFFAOYSA-N 448.567 5.616 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)n2)cc1 2663952 ICLNRQZWFIPBKG-UHFFFAOYSA-N 427.485 5.879 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)C[C@H](C)C4)ncnc32)cc1 2715234 KBLAWJVQNXOOKK-PMACEKPBSA-N 426.564 5.969 0 40 IKAB CCOc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2cc(C)ccc2O3)cc1 2716014 RVUHTQSDZAHPKU-UHFFFAOYSA-N 440.568 6.840 0 40 IKAB CCOC(=O)c1c(NC(=O)c2c(F)c(F)c(F)c(F)c2F)sc2c1CC[C@H](CC)C2 2744812 NBXPQDNCBMZNRV-QMMMGPOBSA-N 447.425 5.388 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NC(=O)Nc1cccc(Cl)c1 3062989 RPUXZWVGUIVZMX-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1)C(=O)NC1CCCC1 3286972 DDAMROFGHDWCRK-QGZVFWFLSA-N 440.657 5.897 0 40 IKAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3342231 QVPFTTWPWDLXCP-CYBMUJFWSA-N 430.287 5.550 0 40 IKAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)s1 3355428 MVSRCPRCPHITRO-UHFFFAOYSA-N 433.432 6.174 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1OC 3360315 HJEBCSUACZYFJN-UHFFFAOYSA-N 449.507 5.066 0 40 IKAB Cc1ccc2oc(-c3ccc(OCCC(C)C)cc3)c/c(=N\c3cccc(C(=O)O)c3)c2c1 3372751 NNOFBBILVZLWDI-XLVZBRSZSA-N 441.527 6.764 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 3477765 BOFGHVOFHNWQFH-OPAMFIHVSA-N 430.581 5.635 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2)c1 4090535 RPFAWWHOVDJQAS-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB CCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(OC)cc2)cc1 4124701 XEOLMLKPADRVPN-UHFFFAOYSA-N 427.548 6.306 0 40 IKAB CCCC[C@@H](CC)CNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 4657973 UVFAVWISXXYGFK-LMDPOFIKSA-N 429.630 5.198 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 8590665 NLIFHVBUDJAZQA-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CC1CCN(c2ccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)cc2Cl)CC1 8832674 QUEMSABDRCILCY-AWEZNQCLSA-N 441.786 6.289 0 40 IKAB CSCC[C@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 9057702 PNHJBKYKRCQHBJ-JOPBRCQMSA-N 441.600 5.708 0 40 IKAB COc1ccc(Cn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)CC(C)C)cc1 9060320 RGDSOZVRUWENBB-UHFFFAOYSA-N 430.552 5.690 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 9124351 HMDSFWUKTJUOGT-UHFFFAOYSA-N 442.371 6.409 0 40 IKAB c1ccc(Cc2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 9158900 QKVDZQDWUHEVIS-VWLOTQADSA-N 440.506 6.154 0 40 IKAB CCCCCOc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2Cc2ccccc2)cc1 9272991 FVFGABJRLGWKFB-OAQYLSRUSA-N 441.575 6.145 0 40 IKAB CC[C@@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9273076 AKDYSUBBXLTFJI-YJGRUCBDSA-N 449.392 6.677 0 40 IKAB O=C(CN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 9288182 ZLLZGJHWGAKFDJ-QHCPKHFHSA-N 449.432 5.371 0 40 IKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccc(Cl)c1 9366608 GNBDKLMJOBQHID-UHFFFAOYSA-N 429.876 5.755 0 40 IKAB CSc1nc2ccc3nc(Nc4nc5cc6c(cc5s4)OCO6)sc3c2s1 9381976 OPQKSWIUZBFQBW-UHFFFAOYSA-N 430.561 5.710 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)c1 9408999 FAQZSRAWSPHUEK-RUZDIDTESA-N 443.503 5.300 0 40 IKAB Nc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2cccnc2)cc1 9433885 OGHVMXJJDSJQKN-JOCHJYFZSA-N 442.482 5.208 0 40 IKAB O=C(CSc1ccccc1C(=O)NCCc1c[nH]c2ccccc12)Nc1ccc(F)cc1 9585129 DIPYXWVMIXBOHD-UHFFFAOYSA-N 447.535 5.010 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1 9789283 XTPGOAQSEHKKHL-HNNXBMFYSA-N 445.548 5.083 0 40 IKAB Cc1cccc(NC(=O)COc2ccc3cc(Br)ccc3c2Br)c1 9833502 CTMNLWFJLRSKLH-UHFFFAOYSA-N 449.142 5.691 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccccc2)cc1 9847431 ZJIHHBBLSSRTFT-UHFFFAOYSA-N 431.513 5.006 0 40 IKAB O=C(CSC1=Nc2cccnc2Nc2ccccc21)Nc1cc(Cl)ccc1Cl 9854471 PZCXFMRAXXGGPQ-UHFFFAOYSA-N 429.332 5.896 0 40 IKAB Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(F)cc3)nc12 10020958 FPYYPOXIEHQRCP-UHFFFAOYSA-N 425.916 5.568 0 40 IKAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11379094 YBMBEQGVMRIHAY-DEOSSOPVSA-N 431.879 5.115 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 12478499 ZYSIRNVKVBSYGN-CWTRNNRKSA-N 443.569 5.174 0 40 IKAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1 12525583 ATPDZAYQPMARRG-UHFFFAOYSA-N 449.417 5.313 0 40 IKAB C[C@H](NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12528791 HEWXTNDLFITSOH-DLHGZHJBSA-N 442.607 5.370 0 40 IKAB CCCCn1c(SCc2noc(-c3ccsc3)n2)nnc1-c1ccc(OC)cc1 12551911 XKKGZXMFIVMFEN-UHFFFAOYSA-N 427.555 5.158 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 12561645 CZEAKZLYHQPZDX-KCWPFWIISA-N 426.516 5.824 0 40 IKAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 12803555 DTSBYAVXOLVHJE-GFCCVEGCSA-N 433.327 5.261 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 12873191 XWRFLHCOCOBAGO-UHFFFAOYSA-N 430.360 5.590 0 40 IKAB CCOC(=O)c1sc(N(Cc2ccccc2)C(=O)c2ccc3ncsc3c2)nc1C 12875911 SWRBURLGLPNINY-UHFFFAOYSA-N 437.546 5.085 0 40 IKAB Cc1cc(C2=NN=C(Nc3ccc(Cl)c(Cl)c3)SC2)c(C)n1C[C@@H]1CCCO1 13062877 DRESJZKDWRIDIN-HNNXBMFYSA-N 437.396 5.510 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 13063463 YSJVJSKDNOCIGM-RMKNXTFCSA-N 439.430 5.172 0 40 IKAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1 13847493 RVOCDRSXBRZPCR-UHFFFAOYSA-N 442.968 5.192 0 40 IKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1[C@H](C)Oc1ccccc1 13850136 RMBIGQQPCVBHEX-KRWDZBQOSA-N 432.549 5.322 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)c2cccc3ccccc23)c1C 14405562 FXJNOIWAINXHAH-UHFFFAOYSA-N 440.547 5.958 0 40 IKAB COc1ccc([C@H]2C(=O)N(c3ccc(C)c(C)c3)CC(=O)N2c2ccc(Cl)cc2)cc1 15412680 IPDKDJXTILUIPU-DEOSSOPVSA-N 434.923 5.087 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(Br)ccc1Cl 16525151 PICHURUKYNJRIP-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)cc1 16576176 ZMPUABWMIXOKEL-BYMHFINISA-N 440.027 6.622 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 16611255 FICGUGZDWXHWBG-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1 16688622 RLCANVNQOAMEIP-UHFFFAOYSA-N 426.354 5.717 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc(Cl)cc1 17083455 CBGLBPNBMCVUPO-QHCPKHFHSA-N 426.299 5.001 0 40 IKAB COc1c(C(=O)Nc2cccc(Cl)c2Cl)cc2ccccc2c1Br 17094252 LATAYXMLFSMWNK-UHFFFAOYSA-N 425.109 6.170 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17095729 PDKOYWMCNGYZST-UHFFFAOYSA-N 428.344 6.268 0 40 IKAB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)C(C)(C)C)ccc3Cl)nc2c1 17096727 SINKUOKKHBMURN-UHFFFAOYSA-N 429.973 6.131 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 17097948 RSMDSFCKOSUEHV-UHFFFAOYSA-N 432.499 5.183 0 40 IKAB CCOc1ccc2ncc3c(-c4ccc(F)cc4)nn(CC(=O)NC4CCCCC4)c3c2c1 20996540 NZQPWFJYLGRUNV-UHFFFAOYSA-N 446.526 5.238 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1ccccc1F 22535289 JVOHQSKFQVLVJJ-UHFFFAOYSA-N 430.486 5.211 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OC(F)F)c(Cl)c2)no1 24830104 TXIKYBPWVFSQJK-UHFFFAOYSA-N 425.844 5.177 0 40 IKAB O[C@H](Cn1c(C(F)(F)F)nc2ccccc21)Cn1c2c(c3cccc(Cl)c31)CCCC2 28297136 NPYBJKAIWJSSGQ-AWEZNQCLSA-N 447.888 5.603 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCCCCC4)cc3)ccc21 30945339 UIPADXPAQSJXSN-UHFFFAOYSA-N 425.576 6.443 0 40 IKAB COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 40742707 ZDIBRXQRTFRGAK-UHFFFAOYSA-N 442.795 6.586 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 57317118 CYBCAWVPFJBGIL-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB S=c1n(CN(CCc2ccccc2)Cc2cccs2)nc(-c2cccnc2)n1C1CC1 72293261 OKOZILLHSHAFJE-UHFFFAOYSA-N 447.633 5.575 0 40 IKAB O=C(Nc1nc(-c2cccnc2)cs1)N1CCC(c2nc(-c3ccncc3)cs2)CC1 72305805 WXIKCKOLMJSQAG-UHFFFAOYSA-N 448.577 5.135 0 40 IKAB O=C(C1c2ccccc2Oc2ccccc21)N(CCc1cccs1)Cc1cccnc1 77183853 FQIDZWKRWBZEII-UHFFFAOYSA-N 426.541 5.652 0 40 IKAB O=C(NCc1cccc(NC(=O)c2ccn(-c3ccccc3)n2)c1)Nc1ccccc1Cl 78968734 LGGKQYFVOBVDPO-UHFFFAOYSA-N 445.910 5.100 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493032 OOUCIUZOGLWLAN-DPYZQZSFSA-N 430.717 6.996 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(F)cc1F)c1ccccc1NC(=O)c1ccc(F)cc1F 95443739 FBCPVCBZNIBULC-QFIPXVFZSA-N 444.428 5.622 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(=O)[nH]c2ccc(Br)cc12 96097164 SDLAXJJGFDSLFK-UHFFFAOYSA-N 449.304 5.122 0 40 IKAB COc1cccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 100971932 IAEIIBHELACHGY-PIKZIKFNSA-N 438.527 6.265 0 40 IKAB Cc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3Cl)c2c1 101379481 RUAMKGRCFXHVCR-PBBVDAKRSA-N 444.003 7.135 0 40 IKAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(C(C)(C)C)cc1Br 218885202 CYJKLVIFIRENAA-MRXNPFEDSA-N 434.374 5.018 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222589548 BODWZGQKQCQADV-VWLOTQADSA-N 434.580 5.378 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 222606304 AXFQEUWMAAGTIE-RXYZOABWSA-N 438.021 6.476 0 40 IKAB CCC1(CC)C[C@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2O1 223075025 IUKRHOZXUBYIHY-IBGZPJMESA-N 446.385 5.644 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 223511891 GXZUFTAAOTXXJH-XZOQPEGZSA-N 446.963 5.563 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccc(C)cc1 224124510 HTIAWHMNBZEDNX-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1C(C)C 224229693 UPVVYMROWRLEBW-UHFFFAOYSA-N 444.358 6.957 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1cccnc1 224424901 BFFUWTMXSSRAHK-BJKOFHAPSA-N 443.551 5.200 0 40 IKAB Cn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224644119 PJPIUCMIUZWAMK-BJKOFHAPSA-N 426.545 5.390 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)ccc1F 224906407 DEPNPCIAJSWEMK-ZEQRLZLVSA-N 446.526 5.636 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)cc1 224998047 IHGMIPOFHGBJNG-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225244161 JDASRRHVVPUECW-HSZRJFAPSA-N 445.003 5.141 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225522452 DCCABHGLFCZDNW-AJTFRIOCSA-N 444.619 5.803 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225670927 IGYACDGNAJAANE-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257215233 CPFMMKJEOWWFDO-SFHVURJKSA-N 449.457 5.218 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H](C)n3cnc4ccccc43)CC2)nc1 257332858 XZAPDLPOCGCXGV-NRFANRHFSA-N 438.575 5.298 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)cc1 408558387 UHZKYVYLEHAYBQ-UHFFFAOYSA-N 441.325 5.087 0 40 IKAB COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1c(Cl)cccc1Cl 408576768 RASGOWMWBMZHTC-ZDUSSCGKSA-N 426.365 5.025 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c(C)cc1Br 408670505 QQNOLAALWXWMHT-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1C 408693674 BRIVJDHAJAYKFC-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)c(C)c1 408727266 VNEKYBBJPPYUAM-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(Br)c3)sc2c1Cl 408969063 GPRZAONRQXAITA-UHFFFAOYSA-N 431.138 6.232 0 40 IKAB CCOC(=O)c1ccc2c(c1)[C@@H]1OCCC[C@@H]1[C@H](c1cc(Br)ccc1OC)N2 409189091 IIHVPQCYSSKFJY-IPHXSNPTSA-N 446.341 5.269 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2c(F)cccc2Cl)CC1 409410868 RJONCQJEMNKHAO-UHFFFAOYSA-N 427.372 5.023 0 40 IKAB CC(C)CNC(=O)C[C@@H]1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)Oc2ccccc21 1204223296 FEKRBLRLXAQSND-HXUWFJFHSA-N 442.550 5.028 0 40 IKAB O=C1[C@@H]2CSCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 1384502 KEFKLELFHRTYNR-INIZCTEOSA-N 432.389 5.150 0 40 IKAB COc1ccc(NC(=O)c2cc(Cl)c(=O)n(Cc3ccc(Cl)c(Cl)c3)c2)cc1 1400043 SGLXGKGIYNSOKB-UHFFFAOYSA-N 437.710 5.118 0 40 IKAB CC(C)CCOC(=O)COc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770143 TVFMXYDXPCLOEQ-UHFFFAOYSA-N 438.520 5.851 0 40 IKAB biogenic,in-vitro CC(=O)c1c(C)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3c(C)cc(C)cc3C)cc12 2184169 NYYCNVQKPMNTBA-UHFFFAOYSA-N 447.556 5.834 0 40 IKAB CCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c(n12)-c1ccccc1CC31CCCC1 2305822 HSQVJIORBXGHHY-UHFFFAOYSA-N 442.588 5.336 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2ccccc2)c(=O)c(C)nn1-c1ccc(Cl)cc1 2353054 GRYSINBUOYEALL-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)sc1C 2429243 PEMNATBEBHXPAQ-SFHVURJKSA-N 440.883 5.409 0 40 IKAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)Nc1cccc(Cl)c1 2969414 LHCIXAADFABWNU-UHFFFAOYSA-N 445.935 5.329 0 40 IKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1ccc(C(C)(C)C)cc1 3134802 KPHARJQLNLZINS-UHFFFAOYSA-N 446.085 6.975 0 40 IKAB Cc1ccc(NC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 3248067 GESCVUIWLWSEPL-OAQYLSRUSA-N 427.331 5.802 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3[C@H]2N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4676893 CPLKMMGVQMTAPZ-WRXYNROGSA-N 430.592 5.544 0 40 IKAB Cc1ccccc1Nc1c(-c2cc(Br)ccc2F)nc2ccc(Cl)cn12 4793945 JGZAJZMHQIJWKY-UHFFFAOYSA-N 430.708 6.608 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c(C)c1 4903174 QORVXDIAFCOZLR-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB COc1cc2oc(-c3ccc(O)cc3O)c(CC=C(C)C)c(=O)c2c(O)c1/C=C\C(C)C 5353616 KRGDFVQWQJIMEK-TWGQIWQCSA-N 436.504 5.763 0 40 IKAB Cc1ccc(C(=O)N2C[C@@H]3C[C@H](C2)c2ccc(/C=C/c4ccc(Cl)cc4)c(=O)n2C3)cc1 5398364 GCQCQDDERNSGLK-BBQCWBHMSA-N 444.962 5.240 0 40 IKAB biogenic,in-vitro CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[C@@H](C(C)(C)C)C2 6599767 WEUPEKIOUHPJPK-MRXNPFEDSA-N 430.639 5.562 0 40 IKAB Cc1nn(C(=O)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)c1Sc1ccccc1 8386316 DMKMQKUBMWKECU-UHFFFAOYSA-N 428.601 6.866 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCc3nnc(-c4ccccc4Br)o3)o2)c1 8707448 XCILNVMUJZLDLM-UHFFFAOYSA-N 443.326 5.458 0 40 IKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 8758441 LUCCIALKDZIMRP-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc12)C[C@H](C(C)(C)C)CC3 8870412 IRSPQGWDSGHTOV-GOSISDBHSA-N 448.588 6.241 0 40 IKAB Cc1c(-c2ccccc2)nc2c(C)cc(Br)cc2c1C(=O)NC1CCCCC1 8919270 KMXNXGBOINKBCQ-UHFFFAOYSA-N 437.381 6.344 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 9300020 UCCDIGWNGSSVDF-UGKGYDQZSA-N 445.332 5.417 0 40 IKAB COc1cccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(C(F)(F)F)c3)oc12 9363694 DPKHRHNHJCXRCJ-NFFVHWSESA-N 435.405 6.236 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1Cl 9375597 NBKUYMBLGMZWGN-UHFFFAOYSA-N 437.952 6.231 0 40 IKAB CCOc1cccc2sc(N3CCN(c4nc5c(OCC)cccc5s4)CC3)nc12 9381979 CNYICGOREXPAPM-UHFFFAOYSA-N 440.594 5.030 0 40 IKAB CSc1nc2ccc3nc(NC(=O)c4ccccc4Br)sc3c2s1 9404737 HLKKROUQRUTSIE-UHFFFAOYSA-N 436.381 5.643 0 40 IKAB Clc1ccc(-c2nnc3n2N=C(c2ccc(-c4ccccc4)cc2)CS3)c(Cl)c1 9459506 RLMXNGHYHZTWPS-UHFFFAOYSA-N 437.355 6.277 0 40 IKAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4cccc(OC)c4)=NN3C(=O)CC)cc2c1 9495141 NCHWBZRGZGMSLN-QFIPXVFZSA-N 437.927 5.383 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1C 9518408 JIIJHOWRJPCUJW-UHFFFAOYSA-N 434.495 6.707 0 40 IKAB Clc1cccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)c1 9622638 PRBDCKHZOABIFT-UHFFFAOYSA-N 432.959 6.347 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2nc(-c3ccccc3)no2)n1C1CC1 9646966 RHWKNXBDUZHTPX-UHFFFAOYSA-N 439.928 5.188 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3ccncc3)n2C2CC2)c2ccc(C)cc2)cc1 9711834 SEOQYAUVNLJGDB-XMMPIXPASA-N 440.572 6.008 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1nnc(SCc2ccccc2Br)s1 9805687 RKXGWJAPYQMTQK-ZHACJKMWSA-N 432.368 5.245 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c1Cl 10128806 GVZCOTLQHZGTIK-UHFFFAOYSA-N 426.683 5.388 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccccc3F)n2)cc1 11916280 PCMXUKUGSLREBA-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB Cc1ccccc1CC(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccncc2)cc1 12256668 NKGYKIUTSRLJDC-UHFFFAOYSA-N 436.559 5.496 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2ccc(Cl)cc2)C[C@](C)(CNC(=O)c2ccc(Cl)cc2)C1 12311200 TWPGDJCMZLPYCW-YKSBVNFPSA-N 447.406 5.738 0 40 IKAB CCCCOc1ccc([C@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1 12410730 UFRSRYIRDGWLPU-MHZLTWQESA-N 447.594 7.728 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@@H]1CCCC[C@H]21 12420173 GXAPBFIBEHYHFO-LZCXECNNSA-N 435.564 5.978 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1cccc(Cl)c1Cl)C(N)=O 12587513 NPIAOSBVGMMUSA-GFCCVEGCSA-N 449.407 5.505 0 40 IKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1Cl 12770907 VKKMFXHKFTYSDW-UHFFFAOYSA-N 441.846 5.260 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)COc1ccc(-c2nc3ccccc3s2)cc1 13017876 AQMAYLGBBDGJER-UHFFFAOYSA-N 434.517 5.347 0 40 IKAB Cc1ccc(-n2nnnc2SCc2cc(F)cc3c2O[C@H](c2ccsc2)OC3)cc1 13109734 DQHMDFLJJOEKEC-HXUWFJFHSA-N 440.525 5.071 0 40 IKAB Cc1scc(-c2nnc(SCc3c(F)cccc3Cl)n2C)c1-c1ccccc1 13325501 GSEUXLSFSFRTMS-UHFFFAOYSA-N 429.973 6.604 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12)c1cccs1 13555348 OSEHCIMOWAYNMZ-UHFFFAOYSA-N 431.900 6.580 0 40 IKAB FC(F)(F)c1cccc([C@@H](c2nnnn2C2CCCCC2)N2CCCc3ccccc32)c1 13561747 XCCLWTZIWNPWIP-QFIPXVFZSA-N 441.501 5.739 0 40 IKAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)c(OC)c1C 13645641 QMXDUFYRUCRDPB-UHFFFAOYSA-N 439.342 7.043 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl 13776432 YHLOHODZHWFWOD-WMZHIEFXSA-N 439.298 5.964 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13776838 LKOULUVEGIFPMG-HYBUGGRVSA-N 434.879 5.320 0 40 IKAB CC(=O)c1cc(Br)ccc1OCC(=O)Nc1cccc(-c2csc(C)n2)c1 14138671 JUNGTDATGRGNBH-UHFFFAOYSA-N 445.338 5.101 0 40 IKAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@H]1O[C@H]2c1ccc2c(c1)c1ccccc1n2C 15024257 DWQSSIFTRHQFQG-XECDKEEKSA-N 427.544 6.495 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)NC[C@@H](c3ccc(C)o3)N3CCC(C)CC3)sc2c1 15860487 SSQZXGSQWYYSME-SFHVURJKSA-N 431.001 5.968 0 40 IKAB COc1cc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc(OC)c1OC 16758709 GLTVCNKJBXASDQ-GAJHUEQPSA-N 440.883 5.201 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2-c2ccccc2)cc1 16788769 SFLHJZPWGDXWDY-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@@H]2[C@H]1c1ccccc1OC 17124055 ASEVQPKUGBNXIJ-HUROMRQRSA-N 448.607 6.233 0 40 IKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1c(-c2cscn2)nc2ccccc21 17967553 IGPYTNAULKVPGS-UHFFFAOYSA-N 431.348 5.125 0 40 IKAB CC(C)(C)c1cc(-c2cc(-c3ccccc3)nc(-c3ccccc3)c2)cc(C(C)(C)C)c1O 19205112 GRTBLHBMPIVDMZ-UHFFFAOYSA-N 435.611 8.383 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20152749 JYPCWAINXPCGME-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 20455793 DHTIXOKNZOPCNA-QHCPKHFHSA-N 428.576 5.005 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 20895076 MCNXTMJSVKZKEO-UHFFFAOYSA-N 436.558 5.728 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2cccnc2)cc1 21367364 VGLBSVJQNNHFNH-QFIPXVFZSA-N 445.320 5.292 0 40 IKAB Fc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22035652 PTXQKQPOIKEGBV-NDEPHWFRSA-N 427.567 5.647 0 40 IKAB biogenic Clc1ccc2c(c1)nc(CSc1nnc(NC3CC3)s1)n2Cc1ccccc1 23074646 VENNXEJXTSARNN-UHFFFAOYSA-N 427.986 5.456 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cc(Cl)ccc3Cl)n2)c1 27663840 NAZSJBNJKZTAPJ-UHFFFAOYSA-N 438.767 6.290 0 40 IKAB CCN(CC)[P@]1(=Nc2ccc(C)c(C)c2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693734 NXIZAKIOXIQVEU-ZJXHYCNCSA-N 449.583 6.878 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 34933506 OZULNWDDWWRIGD-KPKJPENVSA-N 437.282 5.446 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CC1=O 40251460 VRIDPZPRNYFQEE-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCCCC3)cc2)c(Br)c1 40943938 OQCAMMYOMPAGTM-UHFFFAOYSA-N 431.374 5.580 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 41091672 UNQBPUCNWDHUGQ-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB O=c1c2c3c(sc2nc(SC/C=C/c2ccccc2)n1-c1ccccc1)CCCC3 54362775 HWMRUKGPIFZBKM-FMIVXFBMSA-N 430.598 6.132 0 40 IKAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3ccc4nccnc4c3)C2)cc1 58196801 GPWZZBRAZNAXPE-XMMPIXPASA-N 439.544 5.187 0 40 IKAB Brc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccccc1 59409096 PVQJCDSETPMUQF-OAQYLSRUSA-N 425.351 5.725 0 40 IKAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)NC1(c2ccc(Cl)cc2)CCOCC1 69417343 WJUFTLXPAYZLLR-UHFFFAOYSA-N 449.378 5.004 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229980 YIPJQKFTAYGEKA-FQEVSTJZSA-N 446.728 5.445 0 40 IKAB CCOc1ccc(CN2C[C@H](c3ccccc3)[C@@H](c3cc(C(F)F)n[nH]3)C2)cc1OC 72389757 QQHSUQJLVUVKPH-MOPGFXCFSA-N 427.495 5.138 0 40 IKAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)c1cc2cccc(Br)c2o1 84493676 WCSIWCFXLCFZCA-UHFFFAOYSA-N 447.716 5.337 0 40 IKAB Cc1cccc(CSc2nnc3[nH]c4c(c(=O)n23)C2(CCCCC2)Cc2ccccc2-4)c1 101132040 IOFYWXGVVYPYDU-UHFFFAOYSA-N 442.588 5.443 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccc(C)cc2)cc1 223069425 ATEASEMOKJNCDG-UHFFFAOYSA-N 448.588 5.341 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223563441 FVVOXQPWSBTWCH-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223577390 DHHBZSJHQZDLSL-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 223610007 LCXFJHULPFKUHJ-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)c1 223720820 VJHZIUIXGZSORO-NRFANRHFSA-N 438.637 5.013 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223743415 RQVQZAMLOZMSSR-MHZLTWQESA-N 444.619 5.805 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 224227134 UBSVMMDDTISTLQ-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)c1 224245799 NEUJZRZJRKFZIY-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1C 224274752 UZCPAFFLJGCEMQ-DQEYMECFSA-N 430.621 6.182 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1C 224275111 CHRCFHZHCZPITJ-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(C(C)(C)C)cc1 224522574 YDWNYMTWLSOTDD-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1CSc1ccc(Cl)cc1 224670459 NDYJDVRIRNAJQU-UHFFFAOYSA-N 425.981 6.269 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(Cl)cc3)o2)cc1 224924042 DZTWFWPAGPFZRL-QGZVFWFLSA-N 446.934 6.552 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(C)cc1 225004879 WTGXFMJHRBPHOY-XMMPIXPASA-N 438.637 5.343 0 40 IKAB O=C(Cc1cccc(Br)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225619430 YKNTUHDIOMIIRT-UHFFFAOYSA-N 428.713 5.515 0 40 IKAB CC[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(OC)c(OC)c1 225719643 VHYTUXZSMVNSLN-OAHLLOKOSA-N 443.794 5.557 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225863552 TWACGHFTSJZYFY-UHFFFAOYSA-N 431.001 5.749 0 40 IKAB O=C(C1CCCCC1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 257257277 KOVWMZARKMJIMY-OAQYLSRUSA-N 430.514 5.978 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 408554250 CPSDRWQUOZYRIO-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408576604 PZNFMNOXDBFQOE-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCOC(=O)c1c(NC(=O)CN(C2CCCCC2)C2CCCCC2)sc2c1CCCC2 408580181 BAKSPZVDKRVBBO-UHFFFAOYSA-N 446.657 5.710 0 40 IKAB Cc1ccccc1-n1nc(C(=O)OCC(=O)c2ccc(Cl)cc2)nc1-c1ccc(F)cc1 408699458 WYVYSVOIOHDYLB-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)cc1 408977445 DKVMMMAFDJFUAR-XMMPIXPASA-N 436.577 5.167 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C2=O)cc1 409222608 CHRDMRBRFQYXGV-UNOMPAQXSA-N 437.293 5.110 0 40 IKAB CCCN1C(=O)N/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O 409238364 NFFALDBGCSYDQV-NTEUORMPSA-N 441.734 5.149 0 40 IKAB Cc1noc(CSc2ccccc2C(=O)Nc2ccc(-n3cnc4ccccc43)cc2)n1 515351817 DEARPKVNBRLTMA-UHFFFAOYSA-N 441.516 5.262 0 40 IKAB CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2)n1 585265868 SYNUZUOMXGVYSP-UHFFFAOYSA-N 432.303 6.120 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 621354131 YUIUKRJDNWRPDI-BVAGGSTKSA-N 430.548 5.359 0 40 IKAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1ccc(C)cc1)CCOCCO2 643574449 XTTWSRCWXLJLNA-UHFFFAOYSA-N 443.587 5.129 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(C(=O)NCc3ccc(C)cc3)ccc21 643579417 XQZJXAFJSJDCIL-UHFFFAOYSA-N 449.639 5.452 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 674325 WXAOCTBZBNFPPE-BLLLJJGKSA-N 440.809 5.051 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)c1 902391 GOZPXAXONHECOS-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccc(Oc2ccccc2)cc1 937237 RXMNDYCAAMOPRT-UHFFFAOYSA-N 427.456 5.092 0 40 IKAB CCc1cc([C@H](c2ccccc2F)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 1236005 RDQISZAGRPMNSH-QHCPKHFHSA-N 437.584 5.039 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(-c3ccccc3)nc12 2074065 RKZIPUUWUTUWQA-UHFFFAOYSA-N 441.600 6.515 0 40 IKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)cc1 2222658 HYMDEEBGUIDJFQ-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2c(C)cc(C)cc2C)cc1 2269280 MWCNHRDXVLDFLC-UHFFFAOYSA-N 442.559 5.857 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 2922111 FHNRRVWJRGJOEC-LLVKDONJSA-N 439.408 5.947 0 40 IKAB COc1cccc(NC(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)c1 3207549 DNZGQZLJBXMBTN-UHFFFAOYSA-N 438.324 5.221 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)cc1C 3224871 MJHACAOJGHTAKF-UHFFFAOYSA-N 438.936 5.705 0 40 IKAB CC(=O)OC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1 4082183 DGCXQKBLGRZRTK-RQZMLCOOSA-N 426.685 8.085 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C(C)(C)C)C4)cc1 8438949 RBEMTVLQFMOKBA-GOSISDBHSA-N 447.600 6.846 0 40 IKAB COc1ccccc1Oc1c(-c2ccc(OCc3cc(C)ccc3C)cc2O)n[nH]c1C 9128669 XXKLDHIMNQBCKZ-UHFFFAOYSA-N 430.504 6.087 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2C(C)=C(C)C(=O)N2CCCOC(C)C)c1 9226979 RCOXOOLLFBBAMQ-AREMUKBSSA-N 432.564 5.878 0 40 IKAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 9255915 LBNNTEYWLDZNQJ-SJKOYZFVSA-N 434.348 5.096 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 9262238 WZWDCZHDVJFWKG-NTEUORMPSA-N 439.967 5.152 0 40 IKAB CC[C@@H]1[C@@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9272405 AKDYSUBBXLTFJI-BSDZUQITSA-N 449.392 6.677 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(NC(=O)c3cccc4ccccc34)s2)c1 9365514 SLFFQEOZMVTUQL-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3nc4ccccc4s3)cs2)c(C)c1 9385998 NDGZWWCDTAWXTR-UHFFFAOYSA-N 436.606 5.416 0 40 IKAB CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 9432017 QMJRTPPXTJGYJS-QFIPXVFZSA-N 437.565 5.541 0 40 IKAB CCCn1c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccncc1 9500520 KEVHRIMPBZRFQK-SFHVURJKSA-N 443.576 5.536 0 40 IKAB COc1ccccc1CCNC(=O)c1oc2ccccc2c1CSc1nc(C)cs1 9534426 PMYCLAHQXQYZEX-UHFFFAOYSA-N 438.574 5.471 0 40 IKAB Cc1cc(C)cc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1 9607352 WAGZEBFNQLOINK-NRFANRHFSA-N 432.911 5.918 0 40 IKAB O=C(CNC(=O)c1sc2ccccc2c1Cl)Nc1nc(-c2ccccc2)cs1 9671751 GCHHIJFKSMRUOQ-UHFFFAOYSA-N 427.938 5.047 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 9782762 RREFMPYFQBTLFE-QHCPKHFHSA-N 439.540 5.866 0 40 IKAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Br)ccc21 10059088 CSZCSHOFFLZTGF-QHCPKHFHSA-N 444.369 5.180 0 40 IKAB CCOc1ccccc1CCCNC(=O)/C(=C/c1cccc([N+](=O)[O-])c1)c1ccccc1 10110874 AUASCTLCNBEMNZ-LYBHJNIJSA-N 430.504 5.283 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 10215108 LNTNLAJINDHWHT-DENIHFKCSA-N 439.309 5.683 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c(OC)c1 11758415 WXCUKVWHVPOICS-UHFFFAOYSA-N 444.487 5.274 0 40 IKAB Cc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)c(=O)[nH]c2c1C 12703923 LUNUIPRENHHZGD-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB Cc1nc2cc(NC(=O)c3ccccc3SCC(=O)Nc3ccc(F)cc3)ccc2o1 12899186 ZIKLTWGAKNHXPP-UHFFFAOYSA-N 435.480 5.258 0 40 IKAB Cc1csc(N(C(=O)CCc2ncc(-c3ccc(F)cc3F)o2)c2ccccc2)n1 12916330 BYXIYBKPOLQSQI-UHFFFAOYSA-N 425.460 5.682 0 40 IKAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 13064596 CPYMMGDOSLCECN-DEOSSOPVSA-N 448.615 5.142 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1 13498352 BPPGTVSEORHZLG-VWLOTQADSA-N 432.589 5.120 0 40 IKAB O=C(N(CCc1ccccc1)Cc1ccccc1)N1c2ccccc2Sc2ccccc21 13574407 AJHWHLFIUJLYFU-UHFFFAOYSA-N 436.580 7.154 0 40 IKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628249 MKRAVKSONOYDCB-DEOSSOPVSA-N 444.575 6.341 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)N(C(=O)Nc1ccc(Cl)cc1)CC2 13721094 GVCNDYNLPVVDAQ-HSZRJFAPSA-N 440.902 5.676 0 40 IKAB CCOc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1cc(C)cc(C)c1)C(=O)N3C(C)(C)C=C2C 14671887 VKVQOWBDFKULEO-AREMUKBSSA-N 448.588 5.177 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1OC(F)F 15982341 WHCCQMQAYNQNSF-UHFFFAOYSA-N 425.460 5.358 0 40 IKAB O=C(Nc1ccc(Cl)cn1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 16739558 VUOMYOMUIFISCL-UHFFFAOYSA-N 436.902 6.265 0 40 IKAB O=C(Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S)Nc1cccc(C(F)(F)F)c1 16777935 MWUKMTQBKQZRJC-UHFFFAOYSA-N 449.502 5.232 0 40 IKAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCCc1ccccc1 16806405 SGABDYABBWLHSE-UHFFFAOYSA-N 436.448 5.184 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 17083450 HOTLVIZLTVVTLN-MHZLTWQESA-N 447.962 5.779 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Br 17094698 QPWAPKVIMSRANT-UHFFFAOYSA-N 426.097 5.972 0 40 IKAB COc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1OC 17097022 GNAKZIWMAYMUGL-UHFFFAOYSA-N 430.529 5.598 0 40 IKAB CC(C)N1CCc2c(sc(NC(=O)c3ccccc3)c2-c2nc3ccccc3s2)C1 17113399 LDASSBMVRRUNIQ-UHFFFAOYSA-N 433.602 6.044 0 40 IKAB O=C1CS[C@@H](c2cccc(Br)c2)N1c1ccccc1Oc1ccccc1 17198338 KUBUOMIXZLUKKI-NRFANRHFSA-N 426.335 6.020 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 17271669 CRKUUMWRSVZLCH-UHFFFAOYSA-N 436.577 5.001 0 40 IKAB CC(C)c1nc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(F)cc4)cn3)ccc2[nH]1 19688528 IRLGLUHUQQITHT-RUZDIDTESA-N 442.538 5.789 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@H]3OCCc4ccccc43)c2)cc1 19690700 FKCOCCHRXLPCSI-FTJBHMTQSA-N 428.532 5.043 0 40 IKAB O=C(c1cccc2cccnc12)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692911 SIFSUDFISFEEDG-XMMPIXPASA-N 443.934 5.088 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)[C@H](C)O4)cs2)CC1 19796657 PIXCEJMUVKQWJH-GTPINHCMSA-N 441.597 5.489 0 40 IKAB Cc1ccc(-c2nn(CC(=O)c3ccc(Br)cc3)c(=O)c3ccccc23)cc1 19898037 BVGFKOMDCUNGQK-UHFFFAOYSA-N 433.305 5.017 0 40 IKAB CC(C)c1ccccc1NC(=O)CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O 20063327 YHFMADFGCJLRQG-UHFFFAOYSA-N 440.952 5.278 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)CC1CCCCCCCCCCC1)N(C)CC3)OCO2 20111728 RUWMEGLSJPCIBS-HSZRJFAPSA-N 443.628 6.223 0 40 IKAB biogenic CC(C)c1ccc(-c2nc3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3o2)cc1 20411193 SYGKRNKEDXNPBL-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)CC(C)C)CC3)c(Cl)c2)cc1Cl 20528423 KMVKSBYFFMGMOL-UHFFFAOYSA-N 448.394 5.249 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20611294 AJVZVQUQBKZFJB-UHFFFAOYSA-N 430.508 5.025 0 40 IKAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(Cl)cc2)C4)c1 20632531 PVNHJWRDWHZURS-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB COc1ccccc1OCC(=O)Nc1c(C(=O)Nc2cccc(C)c2)oc2ccccc12 27664488 SHRHTDYHKVIQGK-UHFFFAOYSA-N 430.460 5.020 0 40 IKAB CCN(C(=O)COc1cccc(C)c1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991099 COTGCFCWWYOCDB-HHHXNRCGSA-N 428.532 5.502 0 40 IKAB O=C(NC(=S)N(c1ccccc1)c1ccc2ccccc2c1)c1ccc2c(c1)OCO2 32127126 RFWWPTRLYNFHOE-UHFFFAOYSA-N 426.497 5.422 0 40 IKAB Cc1nn(C)c(Cl)c1/C=C\NC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 33376501 VHEWEAWJUSHWMG-ARJAWSKDSA-N 426.748 5.212 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)NCc1ccccc1 33778724 BTCWHYYKNBWPFV-UHFFFAOYSA-N 444.918 5.337 0 40 IKAB COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccccc3Cl)c2c1=O 35400345 PUCAKIHJWIVROX-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1cc(C(F)(F)F)nc2sc3c(=O)[nH]c(-c4ccc(OC(F)F)cc4)nc3c12 36611497 QGJWTLQICOERTD-UHFFFAOYSA-N 427.354 5.128 0 40 IKAB CN(c1ccc2sc(C(=O)Nc3ccc(F)cc3)cc2c1)S(=O)(=O)c1ccccc1 46058513 WLZZUCNXQRWNHH-UHFFFAOYSA-N 440.521 5.118 0 40 IKAB O=C(Nc1cccc(-c2ccc(=O)[nH]n2)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 65492569 XNIMCJQSBWITOV-UHFFFAOYSA-N 435.405 5.375 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccc(Cl)cc1 67259596 OGYWMJVJZIXXIA-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB CCOC(=O)CC(=O)C[C@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 85473400 DPBQVLWVWXLRGW-CLEWGBKMSA-N 447.506 5.205 0 40 IKAB CC(=O)N1N=C(c2ccccc2Cl)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 89930429 FWLZPCWRFFSJOW-JOCHJYFZSA-N 430.895 5.483 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3cccs3)[C@@H](c3ccc(F)cc3)C2=C(O)C1 100141907 PFZLSJHVJFSPLG-DEOSSOPVSA-N 446.547 6.994 0 40 IKAB Cc1nc(-c2c(Cl)cccc2Cl)sc1C(=O)NC[C@H]1CC[C@H](C(=O)O)CC1 101668146 XZVMVPVPBWCGLY-TXEJJXNPSA-N 427.353 5.046 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c2c1C 102368116 LQXXNORXZILXHK-XPYUAMARSA-N 437.634 6.014 0 40 IKAB O=C(Nc1ccccc1)P(C(=O)Nc1ccccc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103437155 LWUSLFBPBKMCBQ-JSODFGIGSA-N 440.911 7.263 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3cccs3)=NN12 106937308 PXJJKLJKCJJZCP-KCWPFWIISA-N 436.536 6.168 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 222492724 RNIYJZXEPDCKTA-DEOSSOPVSA-N 438.612 5.003 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)c1ccccc1 222730627 NNHSMLYXZRZLCS-UHFFFAOYSA-N 430.356 6.096 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 222732198 KENVRGZGEHFOKT-SFHVURJKSA-N 440.392 5.654 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 222817883 IXYMBRXIDYFHMA-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)/C(=C/c1ccccc1)c1ccccc1 223294732 YAHOZGRUVYVJHJ-LTGZKZEYSA-N 429.570 6.010 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 223301295 FMCNSOCPHXUXCL-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C(C)C 223323086 VDAURLJOSKIULD-CQSZACIVSA-N 430.397 5.614 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc4ccccc4c3)cc2)cc1 223583645 MRLDHSBNZYBIMY-UHFFFAOYSA-N 427.569 6.249 0 40 IKAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2cccc(OC)c2)ccc1OC 223688925 DWBIFXYJCVZBRF-UHFFFAOYSA-N 447.940 5.513 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223915912 BINDJUFZMMWZCK-LOSJGSFVSA-N 445.636 5.631 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224191467 LWCWCAXFSSVAQW-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(-c4ccccc4)cc3)c2)cc1 224218495 NDDADAAXLJDHSU-UHFFFAOYSA-N 439.511 6.202 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NC3CCCCCCC3)c2)cc1 224343781 ASKPWODIFKHMTE-UHFFFAOYSA-N 449.016 5.316 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225127752 HQGJUKOUELJVHM-YADHBBJMSA-N 430.592 5.413 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(CC)cc1 225162765 SLCJCFYRKOHYQI-LJQANCHMSA-N 429.004 5.169 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 225288794 SMTYCSDAVSPKRY-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc(C)c1OCc1ccccc1 225555391 ZLFXMBFHEGEPRL-UHFFFAOYSA-N 448.006 7.376 0 40 IKAB Cc1ccccc1-c1noc(CCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 225817321 VZQSYOLOVGLATF-UHFFFAOYSA-N 443.347 5.654 0 40 IKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)C(c1ccccc1)c1ccccc1 408561926 LRJFXSCQOCBBJN-UHFFFAOYSA-N 438.474 6.600 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)Nc2ccc(I)cc2)cc1 408580223 NCURTILZCSVDAY-UHFFFAOYSA-N 448.329 5.538 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NC2CCCCCCC2)ccc1Cl 408608570 OBPPBDWEUGENGQ-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB CCc1nnc(S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)O)o1 408633439 YKEHQRWGHQBEEG-STZFKDTASA-N 432.501 5.582 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Br)cc1 408677777 RKQUZVBPIBZUHV-UHFFFAOYSA-N 449.304 5.199 0 40 IKAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408706786 DQUXUQZYWNBWRK-QQFBHYJXSA-N 425.400 5.458 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1Cl 408714454 RDBRDHVSJGFPJS-INIZCTEOSA-N 441.959 5.422 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1ccccc1Cl 409015556 SLXOBUIIWHHSNZ-PCXKXAPESA-N 445.968 6.153 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NCCSCc1c(Cl)cccc1Cl 409026748 WVWKUSMLUJEFAI-UHFFFAOYSA-N 439.191 5.729 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)cc2)cc1 409061973 KTKGKXSKEJAKTG-HMAPJEAMSA-N 435.932 6.468 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)Cc1ccc(F)cc1 643582084 LAVGRBREVGBCJH-VWLOTQADSA-N 446.566 5.816 0 40 IKAB Cc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCc3ccc(F)cc3)c2c1 1367404 PDFROZCQAYJLFU-UHFFFAOYSA-N 435.499 5.292 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1371555 MOIBSLRADQGQTM-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB CCCc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2c(C)c(C)sc2n1 1372199 HLXXUSKZUCBECC-UHFFFAOYSA-N 432.640 5.327 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1832724 VQWNHPGVXWZMBZ-UHFFFAOYSA-N 432.951 6.228 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cc(C)cc(C)c1C 1916483 WNQFRJMEZVQLQW-UHFFFAOYSA-N 441.524 5.674 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1 2203495 BRVINROMIDSTSF-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)cc1 2752499 QVOFWBKHTGRAQB-IBGZPJMESA-N 449.572 5.848 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccc(C(C)(C)C)cc4)cs3)sc2c1 2752702 AOLCLECAPZMMHV-UHFFFAOYSA-N 441.021 7.536 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCCC2)C(=O)Nc1cccc(C(F)(F)F)c1 3247838 GQJOSNWKSWWNKW-AWEZNQCLSA-N 442.437 5.316 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)c1ccc(OC(F)F)cc1 3360488 AEZIBLTZKPZAJL-UHFFFAOYSA-N 428.485 5.935 0 40 IKAB CC(C)(C)c1ccc(OCc2nn3c(-c4ccccc4Br)nnc3s2)cc1 8453201 PYZZVHWPQPEKDG-UHFFFAOYSA-N 443.370 5.492 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 8612361 YTVSJUVLOWDMSA-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB Cc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8755193 YXEBCGRNYHYLFP-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1nn(Cc2cccc(C(=O)Nc3ccc(CN4CCCCC4)cc3)c2)c(C)c1Cl 8816363 RIGIHFFODRMCNJ-UHFFFAOYSA-N 436.987 5.440 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1Cl 8832323 GHCIXCSOHXKOHL-UHFFFAOYSA-N 449.721 6.160 0 40 IKAB CCOC(=O)c1c(C)n(CCOCc2ccccc2Cl)c2c1cc(O)c1ccccc12 8856783 PVRRCMYKLFUTDE-UHFFFAOYSA-N 437.923 5.855 0 40 IKAB biogenic,in-vitro CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc5oc6c(c5c4)CCCC6)ccc1c23 8870445 SDAIALYVFFPNNU-UHFFFAOYSA-N 446.528 5.246 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3N=C(O)c4c(sc5c4CCN(C(C)C)C5)N3)o2)cc1Cl 8923103 UUGBGXKHRVSZFT-OAQYLSRUSA-N 441.984 6.165 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2-c2ccccc2)c1C 9207021 UTICTTITKTZOCX-MRXNPFEDSA-N 434.521 5.038 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(SC)cc2)cc1OC 9281901 GJMCKONYJBLBDT-SQJMNOBHSA-N 432.545 5.668 0 40 IKAB CCCCCCNc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 9281939 DIJAKIVNWXWWRC-UHFFFAOYSA-N 436.581 6.343 0 40 IKAB CC(C)c1ccc([C@@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292687 PKHQQOBSUHZADT-VWNXMTODSA-N 436.386 7.613 0 40 IKAB Cc1noc(-c2ccc(OCc3ccccc3)cc2O)c1-c1ccc(Br)cc1 9409878 IAGLZGRAUILRSF-UHFFFAOYSA-N 436.305 6.364 0 40 IKAB biogenic Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)c1 9570168 VXSQWAFTGAQLFX-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)Nc1ccccc1Cc1ccccc1 9634538 XQIDNSZCHVDMAS-UHFFFAOYSA-N 436.511 5.547 0 40 IKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)cc1OC 10041242 VZRCADQRKQIUMM-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccc(Cl)cc32)s1 10059192 HYEPGYHGSIXKRQ-JOCHJYFZSA-N 446.355 5.371 0 40 IKAB COc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 11866391 QYIWMUSYWSJUPR-UHFFFAOYSA-N 425.204 5.306 0 40 IKAB biogenic Cc1ccc(OCC(=O)Nc2ccc(SCc3cccnc3)cc2)c2c1[C@@H](C)CC2=O 12746542 SKLCKHPLEDVWHV-KRWDZBQOSA-N 432.545 5.390 0 40 IKAB Cc1nc(CSc2ccc(C(=O)OCc3nc(-c4cccs4)no3)cc2)cs1 12765142 FQQBTDHCUYLJKY-UHFFFAOYSA-N 429.548 5.212 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccccc1I 12977206 ONBYZXJOIGTDFV-UHFFFAOYSA-N 426.304 5.037 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 13087037 JEMKIWNHLLSANA-MDWZMJQESA-N 436.389 5.273 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 13113115 KROJZHJELHQQEU-GJZGRUSLSA-N 433.499 5.267 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 13566449 LALZKRVWWUFRJN-UHFFFAOYSA-N 425.560 5.312 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)nn12 13946045 MKZCNUQRFPRZNO-UHFFFAOYSA-N 435.597 5.269 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(c2nc3ccccc3s2)CC1 14140401 MOPOZHHWIXOOJH-UHFFFAOYSA-N 429.973 5.085 0 40 IKAB Cc1ccccc1NC(=O)CNC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl 14153144 FYFGAIMPTFXUTC-UHFFFAOYSA-N 427.740 5.538 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 14198650 HVTCDPSFHQJBFB-UHFFFAOYSA-N 426.563 5.103 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)c(OC)c4)oc3c2)cc1 15729402 VJCTVMWEYBJIEE-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Br)cc2)o1 15881542 PSZSDFYODUHWGV-UHFFFAOYSA-N 439.313 5.216 0 40 IKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 15987360 XACDBPSLESOHMY-GOSISDBHSA-N 445.972 5.824 0 40 IKAB Cc1cc(NC(=O)Nc2ccc(Cl)cc2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282437 OGSQUVQGCJYIQU-UHFFFAOYSA-N 440.286 5.746 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)c1 16749743 XPGSVKWSFQOKSM-VWLOTQADSA-N 439.511 5.370 0 40 IKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4cccc(Cl)c4)oc3C)n2)c1 16840786 WHWHRNQUEKRVBB-UHFFFAOYSA-N 439.924 5.767 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cc(O)ccc2Br)N3)C1 17085965 CMQOLSZFFMRCEE-BTDLBPIBSA-N 435.387 5.221 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17094571 ZCGMGJYNIDZRHC-GOSISDBHSA-N 425.598 5.371 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccs2)cc1 17098760 LSYQUYMHHQATGO-UHFFFAOYSA-N 434.344 6.079 0 40 IKAB COc1ccc(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c(OC)c1 19691161 YTHOQASASOCGGV-UHFFFAOYSA-N 434.511 5.233 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20145396 XDFAQBAHMHQHGT-XYOKQWHBSA-N 437.854 6.143 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 20411951 UBIKOPCYILPNHH-UHFFFAOYSA-N 446.503 5.943 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cc(Cl)ccc3C)c2c1 20940141 KXNQFJOWVPYAFS-UHFFFAOYSA-N 445.950 5.523 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2cc1C 21578556 MLDDQPCIZVKPKN-UHFFFAOYSA-N 446.375 6.368 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 21595857 HGSABOCTMCHCKQ-UHFFFAOYSA-N 428.536 5.514 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22518148 FSDMETHRELUEGK-HSZRJFAPSA-N 431.919 7.082 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 25900092 BFXYSUVVUGHRGQ-ZEQKJWHPSA-N 428.557 5.186 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 35042947 BSWPITRXWJDXFG-NDENLUEZSA-N 443.355 6.898 0 40 IKAB CCOc1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 35647982 SJTRJAPMCCKMTA-CXUHLZMHSA-N 426.847 5.649 0 40 IKAB COc1ccc(CCNc2cc(C)nc3c(C)c(-c4ccc(Cl)cc4)nn23)cc1OC 40217006 LXJNHLWEKFDHBC-UHFFFAOYSA-N 436.943 5.338 0 40 IKAB O=C(c1csc(-c2ccccc2)n1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1 49433348 GFEWACTZFDJACS-UHFFFAOYSA-N 439.537 5.243 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1cc(-c2ccccc2)[nH]n1 58326404 PNDNSCFURNYMCE-UHFFFAOYSA-N 442.466 5.804 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)c1 64950119 PAVTXFRPNOCUPQ-UHFFFAOYSA-N 426.501 5.133 0 40 IKAB O=C(CSc1nccn2nc(-c3cccs3)cc12)Nc1ccccc1C(F)(F)F 67290066 NKZXLTQJEGSMIJ-UHFFFAOYSA-N 434.468 5.207 0 40 IKAB COc1ccc(CCN(CC(F)(F)F)S(=O)(=O)c2ccc(-c3ccccc3)cc2)cc1 71195118 GAPQGQYPYCLDQH-UHFFFAOYSA-N 449.494 5.158 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(Cl)cc2Cl)S1 96117815 PQAJZABVZXRVIX-LRDDRELGSA-N 426.369 5.499 0 40 IKAB COc1ccccc1C(=O)N1C(=S)N(c2ccc(F)cc2)[C@@]2(C)C[C@H]1c1ccccc1O2 100034256 AVYYMPRTTAPJPF-NBGIEHNGSA-N 448.519 5.322 0 40 IKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2ccc(OCc3ccccc3)cc2)c2ccccc21 104154508 RBPWPISNPRUYGL-LJAQVGFWSA-N 447.559 7.516 0 40 IKAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 107589312 JHXUZUXFBPONAR-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB O=C(COc1ccc(I)cc1)Nc1ccccc1Oc1ccccc1 219832801 VNTWDTVFWJAIOR-UHFFFAOYSA-N 445.256 5.101 0 40 IKAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575122 FTKVHVVHEXMUDV-CVDCTZTESA-N 444.641 5.023 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(I)cc1 222908681 SGYILCQENKRYDU-GOSISDBHSA-N 437.321 5.385 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 222920497 ZZIGBFNBIHLSFR-HSZRJFAPSA-N 429.004 5.452 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 222924763 HXPDHOWGWKLELV-FQEVSTJZSA-N 448.994 5.415 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223075681 VJYYAFOZJPNLIB-JOCHJYFZSA-N 436.640 5.559 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 223236106 CHMIOLGFEVAYLE-IBGZPJMESA-N 445.003 5.176 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223755511 FEKWPGKRYOCXHZ-INIZCTEOSA-N 433.379 5.012 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(Oc2ccccc2)nc1 223989655 GQMJIWLCZZTGHZ-UHFFFAOYSA-N 437.996 6.326 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 224200376 SWZXUHJJTLHHEF-IZZNHLLZSA-N 444.648 6.491 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 224367337 ZHEQUIFKHZUNKD-QHCPKHFHSA-N 442.600 5.092 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 225140774 OMOXXTOCGPLEOU-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB O=C(Cc1ccc(-c2csc(-c3ccncc3)n2)cc1)Nc1cccc(C(F)(F)F)c1 225338715 BHTCXDAAQHXQGY-UHFFFAOYSA-N 439.462 6.072 0 40 IKAB CC[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1 225481272 XHRWSLLPAWPLJG-XMMPIXPASA-N 430.617 6.653 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225501250 ORMAWDJQSZXCFG-NRFANRHFSA-N 425.598 5.204 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c2ccccc12 225780459 UVJWTJHOXAQKAK-UHFFFAOYSA-N 444.358 6.232 0 40 IKAB CCOCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225864260 LOVHZLRDJSVHIN-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2cccnc12 225871026 MXKZIRMIPBPVID-UHFFFAOYSA-N 443.374 6.781 0 40 IKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCCC[C@@H]4C)CCOCC3)c2)c1 257218711 DEEYZDQDISGNMV-DEOSSOPVSA-N 448.651 5.300 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257290246 QCDRBIPAODLBJP-IBGZPJMESA-N 431.923 5.487 0 40 IKAB O=C(c1ccccc1CN1CCCC1)N1[C@H]2CC[C@H]1CC(Cc1cccc3cnccc13)C2 257298195 RKOSRCHMEHFTQO-UIOOFZCWSA-N 439.603 5.457 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1C 408560209 DQNDOAHCZHFVDA-UHFFFAOYSA-N 430.577 5.390 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1C 408694613 KWVREIAYWACPMZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cc(/C=c2\sc3nc4ccccc4n3c2=O)c(-c2ccccc2)n1-c1ccccc1 408781578 CALBENLXRVREQA-ULJHMMPZSA-N 433.536 5.223 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1c1cccc(Cl)c1 409072372 RTQCSUOLVLFCHE-GZTJUZNOSA-N 431.300 5.835 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(O[C@@H](C)CC)cc3)C2=O)cc1 409173463 NQVSJMMOWABTFN-AKGOGDBKSA-N 438.549 5.101 0 40 IKAB O=C(Nc1cccc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)c1)c1ccccc1 409179095 PSUALUPFDLDWLR-AREMUKBSSA-N 435.479 5.720 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)cc1 409246490 BXYBBNGESHQHRU-OEAKJJBVSA-N 441.918 5.749 0 40 IKAB CN(c1ccccc1C(=O)Nc1ccccc1-c1ccccc1)S(=O)(=O)c1ccccc1 409329185 DPXAWYQOIDQQCC-UHFFFAOYSA-N 442.540 5.431 0 40 IKAB CC(C)Oc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409340267 TWBJSUDRIREQQC-GDLZYMKVSA-N 448.566 6.840 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1/SC(=O)N(c2ccc(Cl)cc2)C1=O 409347526 LYYABARVGDUQBN-PXLXIMEGSA-N 437.948 6.913 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1C 409383996 UJRLFPNLBSPHAY-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)N1[C@H]2CC[C@H]1CC(n1cc(Br)cn1)C2 1775974539 IVMWPBSGNQSOAB-GJZGRUSLSA-N 443.267 5.064 0 40 IKAB COc1ccc(Nc2nc(NC3CCCCC3)nc(NC3CCCCC3)n2)c(OC)c1 817374 HPMATCKSCYRHAS-UHFFFAOYSA-N 426.565 5.122 0 40 IKAB COc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 830050 YCYGVALLZKTSPY-FQRUVTKNSA-N 442.559 5.865 0 40 IKAB CCOc1ccc(C(=O)[C@@H]2c3cc(OC)c(OC)cc3C(=O)C[C@H]2c2ccccc2)cc1 841662 BHHYYKURYGQDOL-FNZWTVRRSA-N 430.500 5.439 0 40 IKAB Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C 880560 NVSCXYHWAHIJSL-UHFFFAOYSA-N 435.543 5.329 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F)N1CCCCCC1 998728 UEKNBIZOGBAHQT-WCQYABFASA-N 432.899 5.275 0 40 IKAB O=C1c2ccccc2C(=O)N1c1cccc(-c2csc(Nc3ccc(Cl)cc3)n2)c1 1202858 VRUHZGUXDVJQDK-UHFFFAOYSA-N 431.904 6.008 0 40 IKAB CCc1sc(N(C(=O)C2CCCCC2)c2cccc(F)c2)nc1-c1ccc(Cl)cc1 2170739 NNFQBOPEPLYCGM-UHFFFAOYSA-N 442.987 7.410 0 40 IKAB CCc1c(C)sc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1C(=O)OC 2764317 YJIBYQQGLWEQGP-UHFFFAOYSA-N 436.558 5.935 0 40 IKAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1 3165378 ZINBTJIEEGTFGN-QGZVFWFLSA-N 431.256 6.080 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3229084 XWFIGLWQMZTMQG-GFCCVEGCSA-N 441.965 5.675 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)c1 3274959 ZDHQTYCJGZVSPV-QHCPKHFHSA-N 442.342 6.076 0 40 IKAB C[C@@H]1CCc2c(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)csc2C1 3354657 SRUANSKLEYUNRI-LJQANCHMSA-N 433.573 5.259 0 40 IKAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 4127459 DFIXEEFDUMGXRH-QDSKXPNFSA-N 449.300 5.083 0 40 IKAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1Cc1cccnc1 4163357 MNRAWNPTBHOGSJ-XMMPIXPASA-N 446.963 5.362 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1cc(Cl)cc(Cl)c1O)c1c(C)[nH]c2ccccc12 5328150 IDRIAUALEUEQJL-UHFFFAOYSA-N 435.354 7.459 0 40 IKAB Clc1ccc(OCC[C@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1 5386103 YLMDZEPSHJDDIY-CYBMUJFWSA-N 430.162 6.750 0 40 IKAB COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@H]2C)OCO4)cc1 5741759 TVACMCACOWTLJP-LBWWVAKVSA-N 449.503 5.040 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1 6481703 APIQWGZCKSPHRA-UHFFFAOYSA-N 435.380 5.783 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 8427541 BRIOINWOBOGTMV-KYVQNOJUSA-N 437.926 5.764 0 40 IKAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 8452551 FSRNIIZPILEPMV-QGZVFWFLSA-N 449.934 5.880 0 40 IKAB CCOC(=O)CN(c1ccc(C(F)(F)F)cc1)c1nc(-c2ccc(OC)cc2)cs1 8763309 VHGDAVZJJSZNDD-UHFFFAOYSA-N 436.455 5.539 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 9112223 UJQPAKQYTYVISE-KRWDZBQOSA-N 441.000 5.406 0 40 IKAB CCCCc1nc2sc3c(NCc4ccccn4)nc(SC)nc3c2c2c1CCC2 9161348 UQWXWPXPPZBQRF-UHFFFAOYSA-N 435.622 5.800 0 40 IKAB CCCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 9355602 GBSKHQJWIVEOGS-BCHFMIIMSA-N 431.580 5.578 0 40 IKAB O=C(O)c1cccc(Oc2ccc(S(=O)(=O)Nc3ccc(Cl)c(Cl)c3)cc2)c1 9426716 QOKOLHHFGUZGAW-UHFFFAOYSA-N 438.288 5.285 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)N[C@@H](c1ccccc1)c1cccs1 9619934 HRJJOWSSYLATPI-DEOSSOPVSA-N 447.629 5.443 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3F)cc(=O)c2c1)c1ccccc1Br 9660238 HTKCPZRNZSGKRN-UHFFFAOYSA-N 438.252 5.614 0 40 IKAB biogenic COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)c2ccc[nH]2)cc1 9714006 QSKKIAQWBCIREY-OBGWFSINSA-N 438.483 5.098 0 40 IKAB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@@H](c1ccc(Br)cc1)N2 9763450 NXBLBFHPOKCBJE-LSDHHAIUSA-N 439.144 5.076 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O 10434250 VIZPMMGZLRIBMA-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB C/C=C\Cn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1cccs1 11859636 RBAXEYGMYQYUME-GAGPDCDOSA-N 430.576 5.198 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCC[C@@H]2C)cc1 12529251 DRLQYRAHNGPDIT-DCFHFQCYSA-N 441.575 5.401 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)nnc1-c1cccnc1 12631360 CYTQJCQLMLWKPR-KDURUIRLSA-N 449.624 5.049 0 40 IKAB COc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 12639134 UGYWDNSFNCOJBL-HSZRJFAPSA-N 431.492 5.123 0 40 IKAB CCOC(=O)c1oc2ccccc2c1COC(=O)/C(=C/c1cccs1)c1cccs1 12681469 WLOTUEOHGILCOM-GHRIWEEISA-N 438.526 6.017 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CNC(=O)c1ccc(-c2ccccc2Cl)o1 12949990 DTHLSZAKDJRQDQ-UHFFFAOYSA-N 447.716 5.039 0 40 IKAB Cc1nn(-c2ncc(C(F)(F)F)cc2Cl)c(=O)n1-c1ccc(Oc2ccccc2)cc1 12955643 OSSCUMYKLJYEEY-UHFFFAOYSA-N 446.816 5.191 0 40 IKAB CCOc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1cccc(OC)c1 13074247 JECIYYIBMOISGW-UHFFFAOYSA-N 436.533 5.077 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccccc1F 13109968 VKIUUJNZAAONND-UHFFFAOYSA-N 429.546 5.063 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cnn(Cc3ccc(Cl)cc3Cl)c2)cc1 14224577 ZUOOOCAAXQMDSB-UHFFFAOYSA-N 438.380 5.337 0 40 IKAB O=C(Nc1nc(-c2ccco2)c(-c2ccco2)s1)c1cc(Cl)c2c(c1)OCCO2 14246624 AZWSMXPUEZHSOC-UHFFFAOYSA-N 428.853 5.340 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 14400138 MHANKOOSDPDJBX-UHFFFAOYSA-N 436.939 5.110 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1F 15778755 XGMWFPUKGZTFSP-FQEVSTJZSA-N 436.874 5.749 0 40 IKAB C[C@@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1c(F)cccc1F 16868570 LIMNHNKKSJZPNH-LLVKDONJSA-N 439.336 5.428 0 40 IKAB Cc1cc(NC(=O)COc2ccc(C(C)(C)C)cc2)c(C)cc1I 17101148 XJUTXQQZZAURSD-UHFFFAOYSA-N 437.321 5.223 0 40 IKAB C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@H](C)CN1C(=O)/C=C/c1ccccc1Cl 17136156 PNFOVWBPCOGLDD-UCKSJYCHSA-N 443.374 5.168 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@H](C)C4)ncnc32)cc1Cl 17783150 NHWRQMWDRHZODD-HDICACEKSA-N 432.955 5.663 0 40 IKAB Cc1ccc(CN2CCCC[C@@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C 19764740 IQCPJICIZLOOBD-XMMPIXPASA-N 432.543 5.520 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Br 20142323 SOZXYTMEJJHKHS-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB Cc1ccc(-c2csc3ncc(C(=O)Nc4cccc(C(F)(F)F)c4)c(=O)n23)cc1 20768118 XSRKNACXKQNZAZ-UHFFFAOYSA-N 429.423 5.003 0 40 IKAB Cc1cccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(Cl)cc3)n3c2nc2ccccc23)c1 21005935 MPTZNIXTSNCPTM-JOCHJYFZSA-N 444.922 5.115 0 40 IKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3ccc(F)cc3)c(Nc3ccc(C)cc3)n2)cc1 21153016 HUURYYOYWPQUNV-UHFFFAOYSA-N 441.510 6.280 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256943 NKHMVXFVTUNNSL-GOSISDBHSA-N 427.570 5.158 0 40 IKAB Cc1ccc(-c2nc(CN3CCC[C@@H]3C(=O)Nc3ccc(Cl)cc3Cl)co2)c(C)c1 26461302 BURXMFJXDRMTEJ-OAQYLSRUSA-N 444.362 5.868 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4c(C)cccc4C)C3)nc3ccccc32)cc1 27789037 FMEBUUMICFTMEC-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(-c2csc(NC(=O)CSc3nc(-c4ccc(Cl)cc4)n[nH]3)n2)cc1 28807056 CYJMUJRGSAMKRN-UHFFFAOYSA-N 441.969 5.288 0 40 IKAB CCOc1cc(C(=O)NCc2cccc3ccccc23)cc(Br)c1OCC 33663846 IDWAQCOTLVKTBU-UHFFFAOYSA-N 428.326 5.330 0 40 IKAB C[C@@H](NC(=O)/C=C\c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 34255770 LAOSXDFJKGEUSY-QYMJWVLRSA-N 440.330 5.875 0 40 IKAB CCOc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 35147364 IIRIARBRGDSKOS-RUZDIDTESA-N 443.934 6.187 0 40 IKAB COc1c(Br)cc(C(=O)Nc2cc(C)ccc2C)cc1OCc1ccccc1 35167705 NELPDCWKRILONM-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(OC)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352232 PHNVJAWZPXECER-NOZRDPDXSA-N 434.923 5.990 0 40 IKAB CC[C@@H](C)c1ccc(S(=O)(=O)N(CCc2ccccc2)Cc2cnn(CC)c2C)cc1 36615316 CNXZSOBCIWHOMY-HXUWFJFHSA-N 439.625 5.159 0 40 IKAB CN(C)[C@@H](CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 40071010 WBWQUMDJBIJFSS-SQJMNOBHSA-N 449.645 5.277 0 40 IKAB Cc1ccc(OCCCOc2cc(C)ccc2C)c(/C=C2/N=C(c3cccs3)OC2=O)c1 41082745 CDNWIRHUENUICO-LTGZKZEYSA-N 447.556 5.866 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)nn12 57316922 DPUUWOORDCDUOF-UHFFFAOYSA-N 433.924 5.474 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1)C1CC1 72215377 RIWXLYCUQDGJFH-NRFANRHFSA-N 437.540 5.459 0 40 IKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1NCc1ccccc1C(F)(F)F 72328537 ZGTSODHAGKKNCD-UHFFFAOYSA-N 435.877 6.001 0 40 IKAB Cn1c(=O)c(Oc2ccccc2)c2c3c(c(Oc4ccccc4)ccc31)C(=O)c1ccccc1-2 78549641 GCQDRDLELFEUJV-UHFFFAOYSA-N 445.474 6.335 0 40 IKAB Cc1cc(C)c(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)c(C)c1 95749041 UTXLNEMJEMLCKI-VWLOTQADSA-N 429.516 5.146 0 40 IKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cn(-c3ccccc3)nc1-c1cccs1)CC2 95950289 BOCQQXCTFNKKGB-ICFOKQHNSA-N 449.535 6.334 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3cccc(C)c3)CC2)N=C1c1ccc(C)c(C)c1 96399274 UNLXLRGETMISKY-UHFFFAOYSA-N 434.609 5.590 0 40 IKAB COc1cc(/C=C2/C[C@H](C)Cc3c2nc2ccccc2c3C(=O)O)ccc1OC(F)F 96399878 XHPDRPMGVQJANL-WZMONFQBSA-N 425.431 5.666 0 40 IKAB CC(C)(C)c1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cc1 98073014 KZFKOALZGPUGKX-UHFFFAOYSA-N 436.293 5.566 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@]2(C)CC[C@@H]1C2(C)C)C(=O)c1ccccc1 100366961 JJYPPLLEFKACEV-VIDPVMKZSA-N 449.635 5.412 0 40 IKAB C[C@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)[C@@H]1C[C@H]2CC[C@H]1C2 102271457 ZPNRQRGEAVQHPL-KOAQGZTJSA-N 441.596 6.084 0 40 IKAB CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O 102675034 PYFVFXDWBJAACS-IVZQSRNASA-N 436.899 5.101 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O 102730256 DNRSHPPENRRNNQ-YMPZKCBVSA-N 432.907 5.008 0 40 IKAB COc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2Cc2ccc(Cl)cc2)cc1 102962625 YJCVYKSVUZFAKI-WNAAXNPUSA-N 441.383 6.813 0 40 IKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 107027341 QOBXPLOJNPLHEI-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 216373873 PJYNDYBPFOHBEK-MRXNPFEDSA-N 426.409 5.736 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222903406 BMJCPUMVRUJSEY-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 223028989 CUUQSHXUJJPSEF-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)c1 223788523 XDFYWZBZXITSOY-NRFANRHFSA-N 438.637 5.013 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223795665 AUOMCKSSKLZXLH-NRFANRHFSA-N 433.017 5.156 0 40 IKAB Cc1ccc(C(=O)NCc2ccccc2Cl)cc1NS(=O)(=O)c1ccc(Cl)cc1 224053137 HIEADBVWBNQYPH-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1Cl 224480245 AJFHUBJWOOBDAL-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccccc1Cl 224483851 YJVZLNYAGCCONO-IBGZPJMESA-N 437.967 6.069 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 224563768 QAUWZAOSBACJHW-LOSJGSFVSA-N 446.620 5.801 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 225056129 YGHQFIDCDQSFQX-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225160391 IWZAZRWGJBGCMQ-OALUTQOASA-N 447.044 5.295 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225205198 UYTPTUYKDFRKEB-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225286139 SXYGLNOUHAEDLB-SJORKVTESA-N 435.395 5.258 0 40 IKAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225516479 AMSIGEYRXNBIMC-OAQYLSRUSA-N 438.587 5.777 0 40 IKAB Cc1cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1Br 225776816 LXQVIKWXTDWIOZ-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 260766350 JRSPQRWYQMMQSH-CZAAIQMYSA-N 442.510 5.871 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc5ccccc5c4)cc3)CC2=O)cc1 408640427 HXKGYVKLUPAACO-JOCHJYFZSA-N 436.511 5.932 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 408641493 LZZWTRHTSLUXPR-SFHVURJKSA-N 443.385 5.182 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccc(C)cc1 408820268 UYVRZZNTALZNDM-YVLHZVERSA-N 448.338 5.011 0 40 IKAB Cc1ccc(-c2csc(NC(=O)C[C@@H](NC(=O)c3ccccc3)c3ccccc3)n2)cc1 408979720 OFGHXMNBUXQZLP-JOCHJYFZSA-N 441.556 5.618 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1 409054957 WRNZJVJFWFGLFL-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB O=C1/C(=C/c2ccc(OCc3ccccc3Cl)cc2)NC(=S)N1C1CCCCC1 409082642 QLYLVCNCEWGQFM-STZFKDTASA-N 426.969 5.309 0 40 IKAB CCC[C@@H](C)NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 409255968 MWMAGHAOVCQVHC-HXUWFJFHSA-N 436.577 5.001 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@H](C)Oc1ccccc1 409344159 FWOUANCZOXCXHU-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)CCCn2cccn2)Cc2ccccc21 643553251 FZZQYWMYADEOHC-UHFFFAOYSA-N 438.616 5.035 0 40 IKAB CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccccc3Cl)c2)s1 651316 ZUSDWTMGSIFTHJ-UHFFFAOYSA-N 428.941 5.455 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2F)c1C 871549 GHWSRVMONLVLEW-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1333749 MOEIHNLVGVOGII-HSZRJFAPSA-N 438.618 5.494 0 40 IKAB CN(Cc1ccccc1)[C@@H](c1ccccc1)[C@]1(c2ccccc2)Cc2ccccc2C(=O)O1 1583635 ZUCWJCZDTZGBHU-MFMCTBQISA-N 433.551 6.168 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 1738366 KIMFPIOKKVILOR-UHFFFAOYSA-N 430.573 6.721 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c(C)c1 1858880 MACXUZHMTHCFCL-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(C)cc1 2061025 WSJJTFNXXGFMFU-HMAPJEAMSA-N 431.463 5.456 0 40 IKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3OC)c2)cc1 2204679 KFTFFKKPUGXBDO-WEMUOSSPSA-N 445.515 5.983 0 40 IKAB O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 2227939 WOJJERBNUDMKTD-GXTWGEPZSA-N 440.878 5.188 0 40 IKAB O=C(O)c1c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)nc2ccccc12 2381116 IFGYEVJNLZCUCB-UHFFFAOYSA-N 426.324 7.058 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 2400914 RVLFEMIVGAOKLY-NRFANRHFSA-N 446.528 5.405 0 40 IKAB Clc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 2452385 ZHCPHRFGYLWUGV-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2C1 2621016 MNKWNWFVPVORAI-AWEZNQCLSA-N 433.895 5.420 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c2ccccc2n1 2640084 RFHOSWKSJYPBPY-UHFFFAOYSA-N 449.432 6.067 0 40 IKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(Br)cc2)cc1 3134840 RPDIQRUJDFINAZ-UHFFFAOYSA-N 444.394 6.639 0 40 IKAB COc1ccc(-c2nc(N(Cc3ccccc3)C(=O)CN3CCCCC3)sc2C)cc1 3213756 AGLJSDRSUCITMN-UHFFFAOYSA-N 435.593 5.146 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)NC2CCCC2)nnc1-c1ccc(C(C)(C)C)cc1 3258475 PURWYZFUFREVKC-UHFFFAOYSA-N 448.636 5.691 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2Br)c(C)n1Cc1cccs1 3352006 DXNGLQYOTIWSTB-UHFFFAOYSA-N 432.339 5.017 0 40 IKAB Cc1cccc(-n2nnnc2S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 3450176 WSFYCFDZBOLSMZ-QFIPXVFZSA-N 429.549 5.060 0 40 IKAB COc1ccc2c(c1)CCc1cc(C(=O)O[C@H](C)C(=O)c3ccc(Cl)cc3)sc1-2 3477369 XIOLLFAZJKMUSH-CYBMUJFWSA-N 426.921 5.604 0 40 IKAB COc1ccc(-n2nnnc2[C@H](CC(C)C)N(Cc2ccccc2)c2ccccc2)cc1 4663582 SAGPCWOSXIWJRQ-VWLOTQADSA-N 427.552 5.465 0 40 IKAB CC(C)CC[C@@H](COC(=O)c1ccccc1C(=O)OC[C@H](CCC(C)C)C(C)C)C(C)C 4683293 JCJPBWVRHVLSJW-ZEQRLZLVSA-N 446.672 7.417 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSc2nc3ccc(OCC)cc3s2)cc1 6480738 BSODPWAMVYFSGE-UHFFFAOYSA-N 444.578 5.383 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 8409935 AXBVIOAYWJIPJH-UHFFFAOYSA-N 442.569 6.084 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 8686947 LSYBLMBWOGNJQY-SFHVURJKSA-N 438.556 5.276 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 8843542 WCZAHMYBNPCTNP-XMMPIXPASA-N 438.487 5.103 0 40 IKAB CCCCOc1ccc(-c2nc(SC(C)C)c3c4c(sc3n2)COC(C)(C)C4)cc1 9076284 UGFIHYYRTDZPBJ-UHFFFAOYSA-N 442.650 6.889 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2cc3c(cc2[C@H]1C)OCCCO3 9128784 NPPGSPFNOVZZNR-KGLIPLIRSA-N 436.335 5.068 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 9209906 SSZZVTGROPATNC-QFIPXVFZSA-N 430.891 5.715 0 40 IKAB CCOc1ccc(-c2nc(COC(=O)c3ccc4ncsc4c3)cs2)cc1OC 9283371 JDTPKZDBVGFIAD-UHFFFAOYSA-N 426.519 5.184 0 40 IKAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4csc(-c5cccs5)n4)C3=O)ccc2c1 9366071 LCXJVYWYIKJAMV-HSZRJFAPSA-N 449.557 5.001 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 9378089 FRIIPVVZNQWQHY-QHCPKHFHSA-N 444.560 5.135 0 40 IKAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 9380187 XTTBBDJSRSVIOH-JOCHJYFZSA-N 435.930 6.148 0 40 IKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2c(Cl)cccc2Cl)cc1O 9410320 FJYDHYCKGXSWST-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 9414015 GRJUNXDCKQIWKR-UHFFFAOYSA-N 438.842 5.495 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 9571752 XDXQFCWATXHLNZ-UHFFFAOYSA-N 446.551 5.290 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2cccc3ccccc23)nn1 9578216 GVQFQPCELDATPF-UHFFFAOYSA-N 443.572 7.160 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 9619763 WQMHAEIPTQQNMC-MRXNPFEDSA-N 437.565 5.359 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1ccccc1-c1ccccc1 9987455 BVUPCQUHKCACRK-UHFFFAOYSA-N 432.574 5.548 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccsc2)cc1 10215087 CBVHLARBEPMQLF-PZJWPPBQSA-N 441.350 5.762 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1Cl 10325412 ZGJUHARLSVCRAG-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB COc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C(C)(C)C)coc43)oc2=O)cc1 11867592 PVUNBNKZCLTFPW-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB CCn1c(SCc2csc(N(C(C)=O)c3ccccc3F)n2)nc2ccccc21 12530153 LTKVCUKTFUREIT-UHFFFAOYSA-N 426.542 5.629 0 40 IKAB Cc1cc2cc(CN(Cc3cccs3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2cc1C 12644635 VIOOZWHPHVPCEC-UHFFFAOYSA-N 436.964 5.702 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)c12 12794141 AVGBKIPGIJINBH-UHFFFAOYSA-N 425.410 5.489 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(OC)cc4)n3C)cs2)cc1 12885181 PENYFZQNBHPFGA-UHFFFAOYSA-N 438.578 5.305 0 40 IKAB O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1Sc1ccc(Cl)cc1 13145385 JECBSNUELAHIJD-UHFFFAOYSA-N 432.328 5.940 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)Cc1cccs1 13497656 FZFFPOHEVJJVFT-QHCPKHFHSA-N 438.618 5.181 0 40 IKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(Cl)s1 13566476 ABOISLJMKFHSJD-UHFFFAOYSA-N 436.008 6.019 0 40 IKAB Cc1ccc([C@@H](NC(=O)CCc2ncc(-c3ccccc3Cl)o2)c2ccccc2)cc1 14020111 PJAILHLPMUIHOI-SANMLTNESA-N 430.935 6.142 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C 14129167 CKYRLBKGUWBYLF-HXUWFJFHSA-N 436.512 5.478 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1ccc(C(C)C)cc1 14272767 KBUNPMUEVSXPAT-UHFFFAOYSA-N 442.563 5.993 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccs2)cc1 15441670 GKECULUJPLIYKU-UHFFFAOYSA-N 425.510 5.119 0 40 IKAB Cc1nc2cc(NC(=O)C[C@@H](NC(=O)c3ccccc3Cl)c3ccccc3)ccc2o1 15567573 IHKQVVDEFLXFQJ-HXUWFJFHSA-N 433.895 5.290 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(OC)cc3)cc2-c2ccc(OC)cc2)cc1 17095826 IKQMFAQTTMRMOB-UHFFFAOYSA-N 428.488 5.069 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(F)ccc3F)CC2)n1 19084722 XERQLYPKFXGCAH-UHFFFAOYSA-N 436.506 5.134 0 40 IKAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2cc3nc(C(C)(C)C)cc(C(F)(F)F)n3n2)o1 19559344 BDVFEOSWCHWUAC-OAHLLOKOSA-N 449.477 5.018 0 40 IKAB COc1ccc(CCN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 19882517 SFTJMHPYOYEYRM-UHFFFAOYSA-N 447.918 5.517 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 20107571 NHFREWKINCIXPF-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20111105 OAAHTBHMIMOMFG-UHFFFAOYSA-N 443.587 6.530 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140413 VWCUNLOIOYLNCR-UHFFFAOYSA-N 446.261 6.397 0 40 IKAB Fc1ccc(N2CCN(Cc3cnc(Oc4ccc(Br)cc4)s3)CC2)cc1 20218619 QDMVNYLLAVMQHS-UHFFFAOYSA-N 448.361 5.159 0 40 IKAB O=C(N[C@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccs1 26771301 OOCWAJRQYKPXDU-GFCCVEGCSA-N 429.550 5.016 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971947 GGGHETKJEUPDMI-UHFFFAOYSA-N 438.314 6.146 0 40 IKAB Cc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 27990254 IFIRCZKFROVQEA-QGZVFWFLSA-N 428.985 5.515 0 40 IKAB CCc1ccc(OCC(=O)N(CC)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1 27991109 BXKSCFPJJDIRBF-MUUNZHRXSA-N 426.560 6.056 0 40 IKAB COc1cccc(-c2nnc(S[C@H](C)c3nc(-c4ccco4)no3)n2-c2ccccc2)c1 29739321 WPBDSZFCSVDQMG-OAHLLOKOSA-N 445.504 5.439 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc2ccccc2c1 32112023 KSTAFGNJGMVLAD-UHFFFAOYSA-N 448.909 7.707 0 40 IKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371934 UBZMQZYNZYTSBT-QTKLEZDKSA-N 446.672 7.039 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)C1CCN(Cc2ccccc2)CC1 39753496 JMOZSALZJWCATP-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@@]3(C)C(=O)CC[C@H]43)C2)cc1 39941829 HNTMKSKJRZRWKS-QGLHLYBQSA-N 444.637 5.681 0 40 IKAB biogenic COc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2)cc1 44086022 CIUUAQPQSOOMNX-UHFFFAOYSA-N 436.562 5.044 0 40 IKAB Cc1ccc(NC(=O)CCc2nc(-c3ccsc3)no2)c(-c2nc3ccccc3[nH]2)c1 58316869 SRDYZQZMQRAHOR-UHFFFAOYSA-N 429.505 5.221 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 59124152 FFCXHRDEYKSSLT-UHFFFAOYSA-N 429.756 5.256 0 40 IKAB COc1ccc(OCC(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1 59417210 OKZHVYBHTNXEOW-UHFFFAOYSA-N 435.373 5.663 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)cc2)c1 214629766 BSKKJLIBBXLXNK-BUVRLJJBSA-N 429.541 6.119 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 222395931 JAZLXFPQTWNULL-QHCPKHFHSA-N 445.003 5.139 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 223770670 IKSAEEODPZJUOL-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223806485 XFBYOTNMVMHKBW-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1ccc(C)c(C)c1 224622442 SRJNKOHCMMIHOH-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 225252331 XINIGBASXOLASA-QFIPXVFZSA-N 445.003 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225274685 WYJHMWLZDKWQNP-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)cc1Cl 225500669 JPMGZLSKIYXNQM-HXUWFJFHSA-N 434.989 5.599 0 40 IKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225565481 NEAUCUAPXYHAQW-UHFFFAOYSA-N 441.822 5.809 0 40 IKAB COc1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OC 225627325 CSHKGDHLAVWVTC-UHFFFAOYSA-N 432.895 5.295 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 225675529 IWTLETPRNFCTLA-IBGZPJMESA-N 445.003 5.032 0 40 IKAB COc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 227147814 RVSHAUWOIHXTKI-UHFFFAOYSA-N 435.705 5.514 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 252509098 YCKJLPIMCVBLMS-UHFFFAOYSA-N 446.576 5.266 0 40 IKAB O=C(N1CCC[C@H](Cc2cncc3ccccc23)CC1)C1(c2ccccc2F)CCOCC1 257210006 BSSYYDRGHWYEKA-NRFANRHFSA-N 446.566 5.294 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC(c4ccc(Cc5ccc(F)cc5)cn4)CC3)ccc21 257246199 ITARXDBYHHLEFT-UHFFFAOYSA-N 443.566 5.214 0 40 IKAB CCOc1ccc(Br)cc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 408589083 YKIAGMDEAJMJFS-UHFFFAOYSA-N 439.305 5.555 0 40 IKAB O=C(c1cccc(Cl)c1)N1c2ccccc2N=C(c2ccccc2)C[C@H]1c1ccccc1 408677768 FCTZJQKOXOVHTM-MHZLTWQESA-N 436.942 7.253 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)SCc3ccccc3)cc2)c1 408922298 ZDESBLHGYAEILG-SFHVURJKSA-N 440.590 5.056 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1CCc1ccccc1 409007711 QXJKQGHRWDOPNF-ZHZULCJRSA-N 443.446 6.244 0 40 IKAB Cc1ccc(COc2ccc(-c3cc(-c4ccc(Cl)cc4)nc4ncnn34)cc2)cc1 409056631 SKIZOUDHPTWWMJ-UHFFFAOYSA-N 426.907 5.999 0 40 IKAB O=C1/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c2ccccc2N1c1ccccc1 409202564 ULMBSBHPQKWUQH-RCCKNPSSSA-N 432.306 7.472 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@@H]12 1889151983 QUYCEUJYTAJEMW-IQJKXVMISA-N 448.569 6.463 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)NC2CCCCC2)c1 1353194 YTBWKODNJFLYEK-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB Cc1cc(C)cc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 1748241 XOYHPVOXHZQUQZ-SFHVURJKSA-N 436.504 5.845 0 40 IKAB CC(C)(C)c1ccc(OC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1 1772558 WUNPDUXGPIDMHI-UHFFFAOYSA-N 439.349 6.398 0 40 IKAB Cc1sc2nc(SCc3ccc(Cl)c(Cl)c3)n(-c3ccccc3)c(=O)c2c1C 1804881 IYAADEDMRWLILI-UHFFFAOYSA-N 447.412 6.663 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c(C)c1 1838108 YGMACGJAHQRLSN-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2ccc(C)cc2C(=O)c2ccccc2)cc1 2030615 VLKYFXMNPPEDFY-UHFFFAOYSA-N 448.522 6.039 0 40 IKAB Fc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 2246217 LKBLHTBVBPERTD-UHFFFAOYSA-N 432.458 6.567 0 40 IKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C(C)C)cc1 2382235 NPUUTMCKYKDDCB-SUYBVONHSA-N 436.536 6.627 0 40 IKAB Oc1ccccc1-c1nc(Oc2ccc(Cl)cc2Br)c2ccccc2n1 2405680 VGGDHURHSSNFOQ-UHFFFAOYSA-N 427.685 6.211 0 40 IKAB Clc1ccc(CSc2nnc(CN3c4ccccc4Sc4ccccc43)o2)cc1 2585198 KKYMHSMGWTUDJQ-UHFFFAOYSA-N 437.977 6.818 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)/C=C/c2ccccc2)cc1 2721168 QWLOBUSHFWXOBA-LFIBNONCSA-N 428.557 5.765 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2OCC)sc2c1CC[C@@H](C(C)(C)C)C2 2737662 CHXIBUSQXJQPDC-OAHLLOKOSA-N 429.582 5.727 0 40 IKAB CC1(C)COP(=O)([C@@H](Nc2ccc(Br)cc2)c2ccc(O)cc2)OC1 3110450 YEZJMZFHRAPEEI-QGZVFWFLSA-N 426.247 5.532 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](C(C)(C)C)C3)cc1 3246901 OBKGAMJLHNSALK-HXUWFJFHSA-N 429.560 5.988 0 40 IKAB Cc1ccc(-n2c(SCC(=O)NCCc3ccccc3)nnc2-c2cccc(C)c2)cc1 3293272 PBFICRCPWILRMK-UHFFFAOYSA-N 442.588 5.002 0 40 IKAB O=c1c(Cc2ccccc2)c(O)[n+](-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1 3958141 WBXRESUGEPIIQW-UHFFFAOYSA-O 431.515 5.078 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3CC)C3CCCC3)cc2c1 6134995 RMFRZIUBYVWIID-UHFFFAOYSA-N 433.621 5.795 0 40 IKAB CCCCCCn1c(SCC(=O)c2[nH]c(C)c(C(=O)OC)c2C)nc2ccccc21 6604844 HGEVKGGSFISIPM-UHFFFAOYSA-N 427.570 5.323 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccc(Cl)c(Cl)c3)c2c1 6844287 CXLHTBGTRMZQNL-UHFFFAOYSA-N 443.374 7.597 0 40 IKAB Cc1cc(C)n(-c2ncnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCC4)n1 8450779 GJEMMTNICNRYNQ-UHFFFAOYSA-N 431.952 5.851 0 40 IKAB CCOc1ccc2ccccc2c1C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036364 PBHOQEOLBRSDDE-UHFFFAOYSA-N 440.499 5.282 0 40 IKAB CCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9144990 ZXMLELOXJJHJPL-UHFFFAOYSA-N 435.618 6.650 0 40 IKAB COc1ccc([C@@H](NC(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)c2ccccc2)cc1 9223398 FSSVRIYIMINXPU-VWLOTQADSA-N 440.499 5.368 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 9441976 MRNIDYOQWJRROP-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB Cc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1NC(=O)c1ccco1 9463390 DOHWFHAAQUEEDI-QFIPXVFZSA-N 448.569 5.751 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 9781231 DQGDTCJGHWXRNJ-JZXOWHBKSA-N 440.897 5.602 0 40 IKAB Cc1cc(C)cc(OCCCSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 9882404 MTLJULMEPSJTEF-UHFFFAOYSA-N 431.907 6.116 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)N(Cc1ccco1)C1=CCCCC1 9909551 HVCOQFSTMKWZKQ-UHFFFAOYSA-N 426.567 5.454 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 10328133 ANQNNRWCSHOFJK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB FC(F)(F)c1cccc(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)c1 11758564 CCFGYRFHBMPAIF-UHFFFAOYSA-N 435.862 5.234 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1)c1ccc(C)cc1 11809982 NIQCLJZXUMNTGR-FQEVSTJZSA-N 432.549 5.114 0 40 IKAB COc1ccc([C@H]2Oc3c(c(-c4cccc(Cl)c4)c(O)c4cc(C)c(C)cc34)S2)cc1 11851809 LFUKBPDQLWVGLG-SANMLTNESA-N 448.971 7.675 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)c(=O)oc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc12 11866228 YHYJRSXZJPAYTB-UHFFFAOYSA-N 444.867 5.329 0 40 IKAB biogenic CCOc1cc(Nc2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)nc(C)n1 12225871 ZDHYTHGSFJGNEO-UHFFFAOYSA-N 431.418 5.590 0 40 IKAB Fc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 12312108 OTTUGFPKVIDRRO-PXNSSMCTSA-N 429.314 5.892 0 40 IKAB CC(C)Oc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4ccc(Cl)cc4)c3n2)cc1 12630006 AETMZSICXQWSEL-UHFFFAOYSA-N 431.845 6.523 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c(OC)c1OC 12766125 RIPWETMVWVNGJC-OQLLNIDSSA-N 448.906 5.235 0 40 IKAB Cc1cccc2sc(C(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c(Cl)c12 12780394 AWUYMCIMPLCBFW-UHFFFAOYSA-N 436.967 5.129 0 40 IKAB C[C@@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 12822593 DSFMIMVRUFJMJF-GFCCVEGCSA-N 427.348 5.401 0 40 IKAB CN(C(=O)c1ccccc1C(=O)OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1 12904641 OFGGBQJCSPNJLH-UHFFFAOYSA-N 446.503 5.583 0 40 IKAB COc1cc(C2SCCS2)ccc1OC(=O)CCc1ncc(-c2ccccc2F)o1 12920345 PQQFLUTUONTRGG-UHFFFAOYSA-N 445.537 5.506 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)cc2)c(C)c1 13001123 XVYJJLHMQUGZKU-UHFFFAOYSA-N 434.561 5.539 0 40 IKAB Cc1cc(Oc2nc(CN3CCC(C)CC3)nc3sc4c(c23)CCC4)ccc1Cl 13068638 MPVQDRTWCAJGIC-UHFFFAOYSA-N 428.001 6.166 0 40 IKAB CCN(CC)C(=S)SCC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 13098154 HGLRIODOHPANRF-UHFFFAOYSA-N 438.622 5.146 0 40 IKAB Cc1ccc(Sc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1 13150282 KPIRQESYHGTCTM-UHFFFAOYSA-N 441.965 5.544 0 40 IKAB CC1CCN(C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)NC(=O)c2ccccc2)CC1 13551692 FXRHLTUUXRQIGN-QJOMJCCJSA-N 448.950 5.629 0 40 IKAB c1ccc(C2=NN(c3ccccc3)[C@]3(NN=C(c4ccccc4)c4ccccc43)S2)cc1 16478079 LUPVPOWUSCDGSU-MHZLTWQESA-N 432.552 5.768 0 40 IKAB O=c1[nH]c2ccccc2nc1CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 16492482 HWLCXWZJDZTWBH-UHFFFAOYSA-N 430.920 5.479 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 17095942 QNZAQWXWKPEAGI-SFHVURJKSA-N 428.532 6.643 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)cc1 17097140 XNALGOFWWWYRGY-QGZVFWFLSA-N 430.573 6.803 0 40 IKAB CCCOc1ccccc1NC(=O)c1cc([C@H]2CCCN(C(=O)C3CCCCC3)C2)no1 19525174 IYLMMQBJHMGRMM-IBGZPJMESA-N 439.556 5.002 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20040322 WIYQILJKPMVQEF-AREMUKBSSA-N 441.596 7.237 0 40 IKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2c(F)cccc2Cl)cc1 20437638 VCYUUMSBNMKEEC-NHDPSOOVSA-N 425.818 5.542 0 40 IKAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(-c4ccc(C(F)(F)F)cc4)nnc23)cc1 20483987 SBYQJTSSVYNYLB-UHFFFAOYSA-N 434.421 5.087 0 40 IKAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(c2noc3cc(F)ccc23)CC1 20729079 DQWRPJDMWDAUFN-NRFANRHFSA-N 427.863 5.107 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 22520372 FYGFKDHCAXWAAH-UHFFFAOYSA-N 442.603 5.789 0 40 IKAB O=C(c1ccc(Br)o1)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1 22889506 XINGSUWHBMIKNC-JTQLQIEISA-N 441.734 5.131 0 40 IKAB COc1ccc(-c2nc(CSc3ncnc4sc(C)c(C)c34)cs2)cc1OC 23638290 ZZZIUTJZYWZBHT-UHFFFAOYSA-N 429.592 5.741 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@H](C)Oc1ccc(C)cc1)CC2 24924048 FRHRICKQKHAGBQ-XDHUDOTRSA-N 437.561 5.015 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 30754110 FZHZYYSAPCZNTJ-UHFFFAOYSA-N 444.644 6.772 0 40 IKAB O=C(Nc1ccc(OCc2cccnc2)c(Cl)c1)c1ccc(Br)cc1F 31469674 BTDXRTUGPZFVSX-UHFFFAOYSA-N 435.680 5.468 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2-c2ccccc2)c1 32686670 QCASOUIEMMTEEJ-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1noc(-c2ccccc2NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)n1 32936628 VACLOOLEYMOZOP-UHFFFAOYSA-N 437.455 5.379 0 40 IKAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 33722521 ARLYJMCZLRGXDB-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCCCC1CCC(C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1 34422642 OGGGWPPCVOSSBU-UHFFFAOYSA-N 432.517 8.269 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 36442628 ZKCISRBICYOKTK-DEOSSOPVSA-N 448.617 5.198 0 40 IKAB O=C([C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850874 GMJXPSMYSBYWKP-OAQYLSRUSA-N 445.434 5.687 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(CN2CCCCCC2)cc1 38851472 IKBIIAWCFQAXCE-UHFFFAOYSA-N 430.617 6.607 0 40 IKAB CN1CCN(Cc2cccc(NC(=O)c3ccccc3SCc3cccs3)c2)CC1 48343418 XYECBARWLUTIGW-UHFFFAOYSA-N 437.634 5.040 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 57270655 LGOMQQJSAOGDOM-AVRDEDQJSA-N 427.548 5.308 0 40 IKAB O=C(CCc1ccccc1F)N1CCc2nc(-c3ccc(C(F)(F)F)cc3)sc2C1 72392000 QEPUQMYRKPVPRO-UHFFFAOYSA-N 434.458 5.486 0 40 IKAB Cn1c(-c2ccccc2)nn(CN2C[C@H](c3ccccc3Cl)OCC2(C)C)c1=S 84673674 FQNJDOWLGNGWIO-LJQANCHMSA-N 428.989 5.081 0 40 IKAB CC[C@H](NC(=O)CSc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 84734897 OVLSPNRINHVQRM-KRWDZBQOSA-N 446.370 5.167 0 40 IKAB COc1ccc(/C=C2/N=C(SCc3ccc(Cl)cc3)N(c3ccc(C)cc3)C2=O)cc1 96893662 XCLOLWDEEGEILJ-HZHRSRAPSA-N 448.975 6.334 0 40 IKAB CCCOc1ccc([C@H](C2=C(O)CC(C)(C)C[C@H]2O)C2C(=O)CC(C)(C)CC2=O)cc1 100511304 UCQZQYKKEPURTG-XMSQKQJNSA-N 428.569 5.126 0 40 IKAB CN(c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 102159965 HWJCIWCLDIZRDL-RPBOFIJWSA-N 448.975 5.704 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 215178900 UECJKZJRTMPYFF-PCQWDSEFSA-N 445.924 5.483 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223376133 UBMYHRQVHROMGT-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223395220 WULJIOPOBYMBJS-DNQXCXABSA-N 428.536 5.184 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(F)ccc2OC)cc1 223694686 FFHJCGVHBYXHEV-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223838335 TXPZWHJDHDZSKB-LOSJGSFVSA-N 446.620 5.964 0 40 IKAB Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)cc1 223984986 MICOBGGXCGSVSG-UHFFFAOYSA-N 434.584 6.071 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224247244 UWXFGHDFGKTLQA-ZEQRLZLVSA-N 429.520 5.966 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 224317069 ZBGZZWNIPFEDON-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 224666937 MVHAFDMVIIJCTH-OAQYLSRUSA-N 446.566 5.290 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224705324 YWHNLAARFMQKOR-QFIPXVFZSA-N 447.044 5.402 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 224741468 FOMRTPJHWURNFF-HSZRJFAPSA-N 444.616 5.196 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224904687 IDUSSTCJTDXSPT-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB COC(=O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032978 LTAVHVNFONNGNO-GOTSBHOMSA-N 447.560 5.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225055300 ULTOCDGUYGKZLY-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 225090191 NHCPNVRJGSMKPD-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225374565 KDOTXIWXNGMECM-SFTDATJTSA-N 438.612 5.083 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCC2)cc1Cl 225514712 JLGXISBUIKZCPX-UHFFFAOYSA-N 429.988 6.293 0 40 IKAB C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 225541591 FVKBSYCYZFJJNO-UHFFFAOYSA-N 449.579 6.625 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 225606095 UXIBHRRLJVNZBN-DENIHFKCSA-N 445.003 5.058 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225612934 WFGVFSYUGSMBDR-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCOc1cc(C(=O)OC)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 226327316 GKNVGLKAGMTGEX-UHFFFAOYSA-N 434.113 5.520 0 40 IKAB O=C(O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226342305 CRHIMANUQJQZBV-UHFFFAOYSA-N 438.532 6.006 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 247746224 RBQCXCHIENBCPB-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 253504728 KSPIGVXMBWTYCY-MFMXPMKQSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@@H]2c2cccs2)C1 255961446 MZIWRSXHNVMYEY-ODFRZYNLSA-N 439.650 5.665 0 40 IKAB O=C(c1cc2c(s1)CCCC2)N1CCCC[C@H]1c1nnc(-c2nccc3ccccc23)o1 257247208 IXYGCLNYEBBCPP-IBGZPJMESA-N 444.560 5.593 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2ccccn2)CC1 257250917 JONVHKCNXVUYBP-UHFFFAOYSA-N 427.592 5.100 0 40 IKAB COc1cccc([C@H]2C[C@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC(F)F 257284148 PBJNTXWTLAUVFB-UHLNSYOLSA-N 425.516 5.094 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)CC1)C1(c2cccc(F)c2)CCOCC1 257306862 SWHXBYNXAWERFT-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CC[C@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 257313029 UQRZZBWRGPKCFF-VWLOTQADSA-N 432.907 5.249 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)c2c1 257338566 YXZAIIFQXSXWON-QHCPKHFHSA-N 430.939 5.488 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 260786515 XVZRKALMNTYTBO-TVNIXMEMSA-N 430.360 6.238 0 40 IKAB CN1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 408577429 SNTFPOXTQMPEGS-UHFFFAOYSA-N 429.800 5.149 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 408610874 OVSXKSJNKRVMBJ-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656829 MLGVIFGJOQCYSG-JGSRLKPESA-N 448.349 5.401 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(C)c3C)cc2)cc1 408700997 PTYSEQJJAZDEQH-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CC[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 408720282 KWTCFPZJWSDUHS-DLQYFKQDSA-N 447.534 5.402 0 40 IKAB Cc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408814279 PAVOGBDVXVZYIV-UHFFFAOYSA-N 435.956 5.990 0 40 IKAB CCOc1cc(/C=C2/C(=O)N(CC)C(=S)N2C)ccc1OCc1cccc2ccccc12 409030264 DZVKVCVOJLVNPW-JCMHNJIXSA-N 446.572 5.237 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)c1 409083430 AMCHHNOCKDQSNT-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccc(F)cc1 409108250 STRXREGQKXUEST-UHFFFAOYSA-N 444.841 5.118 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c(C)c1 409178159 JGWBZGJRBUZITN-SANMLTNESA-N 449.934 5.843 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C(=O)O2)cc1 409188984 LXSXDUSEITVEKR-ONBHANDSSA-N 443.886 5.612 0 40 IKAB CCN(CC)C(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(F)cc3)C[C@H]2C(C)C)c1 585293344 VEOOXAUUSJDEAZ-CVJWPJSTSA-N 427.560 5.590 0 40 IKAB COc1cccc2cc(-c3csc(N(CC4CCC4)c4ccccc4F)n3)c(=O)oc12 1889274698 XWMBMIXLDLMWKO-UHFFFAOYSA-N 436.508 6.002 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 627843 MTRFGLGQFXAQRS-NDEPHWFRSA-N 447.542 6.001 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4F)c(N)c3cc2C1 661844 UPFFOZCTOQABIU-SNVBAGLBSA-N 448.361 5.547 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC(=O)c1ccc(Br)cc1 828236 SVFIZSBPBYZEPJ-UHFFFAOYSA-N 434.673 5.106 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 931497 BGYLOODAGLGBMV-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB CCc1c2c(nc3sc(C(=O)Nc4ccc(F)c(Cl)c4)c(N)c13)CC(C)(C)CC2=O 1106294 PFHLQPCMTYJMRK-UHFFFAOYSA-N 445.947 5.641 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327165 UKUSENFNHSFBDM-UHFFFAOYSA-N 443.522 5.772 0 40 IKAB O=C(CSc1ccc(-c2ccccc2F)nn1)Nc1ccccc1N1CCCCCC1 1332385 HYAGYBWCJPGSNL-UHFFFAOYSA-N 436.556 5.394 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1F 1341783 OJNQDAYNQOHCLG-NRFANRHFSA-N 426.513 5.317 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1352849 OIVOWALXEXXJOO-UHFFFAOYSA-N 445.950 5.767 0 40 IKAB Clc1ccc(CSc2cnnc(Cl)c2SCc2ccc(Cl)cc2)cc1 1693179 PBPBYIBTRMVMCB-UHFFFAOYSA-N 427.809 7.021 0 40 IKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(I)cc2)cc1 1775867 RGSXGEMPNMCBNL-UHFFFAOYSA-N 437.321 5.386 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1c1ccc2ccccc2c1 2070723 UPRLCXDZMCTUBJ-HSZRJFAPSA-N 429.317 6.373 0 40 IKAB Cc1ccc2sc(-c3ccc(NC(=O)CSc4nc5ccccc5s4)cc3)nc2c1 2088664 IXURQUZKPDQKOZ-UHFFFAOYSA-N 447.610 6.612 0 40 IKAB CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)C1=O 2093261 KGDQUXCNFWNAFW-IGKIAQTJSA-N 443.591 5.166 0 40 IKAB biogenic CCCCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 2292461 OHDCCNSZVWQWML-HNNXBMFYSA-N 438.622 5.502 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2330789 REKLLKFZHUBTBP-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCn1c(SCC(=O)c2ccccc2)nc2sc3c(c2c1=O)CCc1ccccc1-3 2365209 RJTMBQMVLYERBG-UHFFFAOYSA-N 432.570 5.219 0 40 IKAB O=C(Nc1ccccc1N1CCCCC1)c1ccc(-c2ccc(Br)cc2)o1 2410664 NETGICDPISFDOH-UHFFFAOYSA-N 425.326 5.952 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2453647 RTPAEMUJKNQKOX-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ccccc3o2)c1 2591077 NHFUGDUTXIIEPR-MDZDMXLPSA-N 439.298 6.462 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4Cl)ncnc32)cc1 2714046 VIBJPLPRNHJTGE-UHFFFAOYSA-N 428.898 6.492 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4nnc5ccccn45)cc3)sc2c1 3334121 LXFSQACFPPUXQD-UHFFFAOYSA-N 431.546 5.045 0 40 IKAB O=C(COc1ccc2c3c(c(=O)oc2c1)CCC3)Nc1ccccc1Sc1ccccc1 3360595 GLMMAYHURFZLKB-UHFFFAOYSA-N 443.524 5.450 0 40 IKAB Cc1ccn2c(NC(=O)COc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)nc2c1 4790978 LAXZTXRSRBFSOR-UHFFFAOYSA-N 444.293 5.773 0 40 IKAB Cc1ccccc1NC(=O)N(CC(=O)O[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 4825426 QUYGJBLLXRIPDR-IATMXGELSA-N 426.601 5.920 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(F)cc2)CC1=O 6134474 DTSHWRJKTPTLRP-IBGZPJMESA-N 429.495 5.143 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 8397273 PLFDGEWUSRERIU-DEQMQSMYSA-N 447.534 5.509 0 40 IKAB C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(C(C)(C)C)cc4)c4ccccc43)c2C1 8439280 LARANPFIXPUHNA-QGZVFWFLSA-N 447.600 6.809 0 40 IKAB O=C(COc1ccc(-c2nnco2)cc1)Nc1ccccc1Sc1ccc(Cl)cc1 8770895 FEDXYVGWAVOJFC-UHFFFAOYSA-N 437.908 5.559 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c(C)c1 8923054 YVDLDBCPHDZICR-HHHXNRCGSA-N 447.962 5.315 0 40 IKAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3)cc2O)cc1 9124127 IGGHWTPQZOQCFT-UHFFFAOYSA-N 430.460 5.330 0 40 IKAB COc1ccc(N2C(=O)C[C@]2(/C=C/c2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1 9129693 ZGUXNULHZNKICW-QLWPUQSHSA-N 426.516 5.140 0 40 IKAB CC(C)Cc1nc2sc3c(NCc4cccnc4)ncnc3c2c2c1COC(C)(C)C2 9161173 UAKGCXNNXXWAGP-UHFFFAOYSA-N 433.581 5.296 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccccc1OC 9250165 IFBWXMXAXYVGOZ-UHFFFAOYSA-N 449.576 5.253 0 40 IKAB Cc1c(CCC(=O)NCc2cccnc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 9348122 MGBGOJPYRFLYGD-UHFFFAOYSA-N 432.520 5.098 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 9376233 LRBGHFZNZIIVIF-UHFFFAOYSA-N 445.890 5.832 0 40 IKAB Cc1ccccc1OCc1nnc(SCc2cn3cccc(C)c3n2)n1-c1ccccc1 9468445 KNYGEXLAERHOKI-UHFFFAOYSA-N 441.560 5.403 0 40 IKAB CCCCCOC(=O)c1c(NC(C)=O)n(CCc2ccccc2)c2nc3ccccc3nc12 9479282 HSIVBNBHDPOIEF-UHFFFAOYSA-N 444.535 5.133 0 40 IKAB C[C@H](Sc1ccc2c(c1)OCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9586357 MHVKXDQVIQVDED-NSHDSACASA-N 428.560 5.338 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccncc2)cc1 9665965 VXDOXTOLQZLYHN-UHFFFAOYSA-N 447.539 5.070 0 40 IKAB CCc1ccc(C(=O)Nc2ccc(-c3nc4cc(CC)cc(Br)c4o3)cc2)cc1 10119703 HHHIEJKZZXFGPI-UHFFFAOYSA-N 449.348 6.634 0 40 IKAB O=C(CSC1=NCCS1)N(Cc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 10863227 RZCWCMWZLYNHTR-UHFFFAOYSA-N 435.058 5.473 0 40 IKAB CCOc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Br)cc2)cc1 11024014 OWZXVJOEYXUEFJ-NRFANRHFSA-N 440.341 5.286 0 40 IKAB CC(=O)N(C)c1ccc(NC(=O)c2c(C)oc3ccc(OCc4ccccc4)cc23)cc1 11866469 MWFDFZROQZGRTM-UHFFFAOYSA-N 428.488 5.555 0 40 IKAB biogenic CCN(CC)CCN(C(=O)c1ccc(C(C)=O)cc1)c1nc2ccc(Cl)cc2s1 12140841 TWXLOWXKVDEGLE-UHFFFAOYSA-N 429.973 5.141 0 40 IKAB FC(F)Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12285201 XHTIYMJMMBWIKS-RBBKRZOGSA-N 426.850 6.184 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2sc(-c3ccc(OC(F)(F)F)cc3)nc2C)cc1 12322830 GJEAXYSYJVLFAK-UHFFFAOYSA-N 435.427 5.228 0 40 IKAB O=C1/C(=C\Nc2cccc3ncccc23)c2ccccc2C(=O)N1c1cccc(Cl)c1 12633968 KMOFFHFOJAEJCB-QNGOZBTKSA-N 425.875 5.528 0 40 IKAB O=C(CSc1nnc2scc(-c3ccccc3)n12)N1CCC(Cc2ccccc2)CC1 12878619 QHOFFKZIVHZNLK-UHFFFAOYSA-N 448.617 5.031 0 40 IKAB CCc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(OC)cc1 13026631 QFNYZONCOYTGHU-VWLOTQADSA-N 446.547 5.298 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026922 WHIZSLNRYPQTQO-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 13115733 QLFRMOIGGIJURC-UHFFFAOYSA-N 438.531 5.018 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1C 13497802 HKLCRRUOWDVNDV-VWLOTQADSA-N 447.604 5.136 0 40 IKAB Cc1cccc(-c2noc(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)n2)c1 13629293 ODXBMJZZIALUHM-UHFFFAOYSA-N 445.972 5.222 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 13946077 NJXJMXUYPZGVTK-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccccc3Cl)o2)CC1 14348159 AALQRGNHVWJBSD-UHFFFAOYSA-N 444.362 5.238 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 15981081 HBHBTHSSEDOXMI-GOSISDBHSA-N 445.588 6.278 0 40 IKAB C[C@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)OCO2 16680267 CTZMJTIIBNUJRQ-AWEZNQCLSA-N 449.557 5.057 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 17096362 XVLSYRRLRCWJHN-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17096681 NHTAIIRGCBEBDG-UHFFFAOYSA-N 429.863 5.714 0 40 IKAB Cc1cccc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 17098241 BRAKHPTVCTZZOM-NRFANRHFSA-N 432.932 5.735 0 40 IKAB O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NC1CCCCC1 18254481 AGYZTWKSMQMAAT-UHFFFAOYSA-N 426.969 5.390 0 40 IKAB CCn1ncc2c(C(=O)N3CCC[C@H]3c3ccc(OC)cc3)cc(-c3cccs3)nc21 21625386 RCDQNCCEGBAPCM-NRFANRHFSA-N 432.549 5.166 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1Cl 22073885 WIGCNLCGFSAPNC-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB O=C(CCCC(=O)c1cccs1)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 22969469 QWDCDZNBDSYVQZ-UHFFFAOYSA-N 443.572 5.329 0 40 IKAB O=C(c1csc(-c2cccs2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 26768758 XFQSBAXQUOILIT-ZDUSSCGKSA-N 427.576 5.307 0 40 IKAB CCOc1ccccc1N(Cc1nc2n(n1)CCCCC2)C(=O)Nc1cccc(Cl)c1 28527862 VEQBDDBIUNHHFT-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 32127458 WHNSGVWBDHCCLG-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB CCOC(=O)Cn1c(-c2ccc3c(c2)OCO3)nc(-c2ccccc2)c1-c1ccccc1 33382545 SUKQACOQGCOPQD-UHFFFAOYSA-N 426.472 5.176 0 40 IKAB CCc1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 35533877 ITLJFJIIBVXICF-UHFFFAOYSA-N 434.971 5.839 0 40 IKAB CC(C)(C)[C@@H]1CCC[C@@H]2C1=NN(c1nc(-c3ccc(F)cc3)cs1)[C@]2(O)C(F)(F)F 35999490 KKBBMOZXYZHLCD-STXHMFSFSA-N 441.494 5.839 0 40 IKAB O=C(Nc1nnc(SCc2c(F)cccc2Cl)s1)c1cc(-c2ccco2)on1 48984932 HVHBXUCCIBGXBD-UHFFFAOYSA-N 436.877 5.123 0 40 IKAB COc1cc(Cl)c(C)cc1Nc1c(C(=O)N2CCCCCC2)cnc2nc(C)ccc12 49004766 YONJCJDPDXSBIB-UHFFFAOYSA-N 438.959 5.668 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(Cl)ccc1OC 49005037 ANNNUJDPZNOTBY-QGZVFWFLSA-N 438.959 5.749 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317056 UCPINWPYMIDYKC-UHFFFAOYSA-N 434.717 5.366 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230058 PBHYEDMQUNYDPD-OAQYLSRUSA-N 436.722 5.746 0 40 IKAB CCN(C(=O)CCc1ccco1)c1ccc(NC(=O)CCc2ccco2)c(C(F)(F)F)c1 72300883 GWDIVBRDHVXGIC-UHFFFAOYSA-N 448.441 5.448 0 40 IKAB COC(=O)/C(=C\Nc1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl 100334558 ZDJSFHRKZVNMIG-OVCLIPMQSA-N 434.106 5.157 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccs2)C(=O)N1c1c(Cl)cccc1Cl 102752127 GCVWRKJCELMRCW-YTQUADARSA-N 445.327 5.106 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](CC(C)C)c3ccccc3)cc2)cc1 216441328 DPXSZOPBKNLVNV-XMMPIXPASA-N 436.577 5.313 0 40 IKAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218989560 HKJINIWFPKQFEJ-QGZVFWFLSA-N 425.912 5.125 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219391398 QYJLQLLCAIHHGM-QGZVFWFLSA-N 436.364 5.573 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 222805758 UHJHFZXTMRLGRL-OALUTQOASA-N 446.345 5.236 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 223222984 HYNMPZXPZIVXEA-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@@H](C)C(=O)NC1CCCC1 223787890 QKSXLTUAZSGPIC-QFIPXVFZSA-N 442.603 5.557 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224343221 KQCFHDRBYDYAKV-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccc(Cl)cc1 224391939 SLBJUOGCSRHPDV-SFHVURJKSA-N 440.008 6.392 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 224440826 PBOXQNNBVLUPDP-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224462442 RIFKEAKACVHDIX-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224512759 WWZQWSSENTVGBS-JOCHJYFZSA-N 430.592 5.004 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 224743137 WUPKPBCBMCQVAZ-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1ccc(N2N[C@@](Cc3ccccc3)(c3ccc(-c4ccccc4)cc3)NC2=S)cc1 225351104 HFOMNPLUUZGIBI-NDEPHWFRSA-N 435.596 5.957 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCc4ccccc4)c(C)c3)CCCCC2)cc1 225560000 YAEKOOBCFAEPCG-UHFFFAOYSA-N 429.560 6.423 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)c(C)c1 225655046 SRAYBBBCNHHCQF-QFIPXVFZSA-N 449.422 5.790 0 40 IKAB COc1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c2cccnc12 225769838 KBCLLCGMNVVOCQ-XMMPIXPASA-N 427.573 5.936 0 40 IKAB O=C(CN1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1)Nc1ccc(F)cc1 257264421 LUHJCDQQQJYCHL-HXUWFJFHSA-N 437.946 5.283 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H](c2ncc(Cc3cccc(F)c3)o2)C1 257280196 OJXASHYHIATOHG-SFHVURJKSA-N 449.457 5.218 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)CC1 257290095 QBOQSHPCEIBDGX-UHFFFAOYSA-N 433.621 5.161 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)cc1 408563102 IOKBSAORQOLKCK-NCELDCMTSA-N 429.516 5.831 0 40 IKAB Cc1cc(Br)ccc1NCc1ccccc1OCc1cccc2ccccc12 408602641 AIFQXXRAPRFBHO-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccc(C)cc2)cc1 408694065 HVPJCVUQKSJKMO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)c1 408697191 FUDTZKPHAKCOLB-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c1 408699506 UOTOWCKCOGSQHQ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2nnc(CN(C)C(=O)CCCOc3ccc(Cl)cc3Cl)o2)cc1 408713993 FWJAQQXHJNTLOC-UHFFFAOYSA-N 434.323 5.169 0 40 IKAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1sc2ccccc2c1Cl)c1ccccc1 408842378 JPZMKFITBUYYCF-UHFFFAOYSA-N 446.915 5.455 0 40 IKAB Cc1ccc(-c2ccc(CCC(=O)O)n2NC(=O)c2sc3ccccc3c2Cl)cc1 408951459 UBXSURIRSVIMQL-UHFFFAOYSA-N 438.936 5.733 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccccc1Cl 408975149 IKDJPQKTGREREG-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB O=C1N/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C(=O)N1C1CCCCC1 409081289 PJYHOHYTBNLHNF-NDENLUEZSA-N 445.346 5.798 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 409113413 FVTRPNFHWLZPEM-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1ccc2ccccc2c1 409116611 LQOJQTGHQHCDHX-ITYLOYPMSA-N 449.550 6.725 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1CCCc1ccccc1 409122618 AICUILPYGWGJLY-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB CC(=O)c1ccc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1 409179390 MHYVSBYOZGXEGA-UHFFFAOYSA-N 425.278 5.450 0 40 IKAB COc1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 409183115 PWTBVGWHUPSGGP-NDEPHWFRSA-N 434.539 6.369 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccccc1Br 409248503 GVUONOGAAQUXPA-UHFFFAOYSA-N 440.318 5.954 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2cnc3ccccc3c2)Cc2ccccc21 643569832 SUMNLJPVHZWFLC-UHFFFAOYSA-N 429.564 5.584 0 40 IKAB C[C@@H](CCc1ccccc1Cl)NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1 2037845869 MLEJAEBSDSTBEN-KRWDZBQOSA-N 441.978 5.773 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848516 GAJOUALBCIINAV-NSHDSACASA-N 426.826 5.066 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 900451 WILAECQAKXQKFQ-RBUKOAKNSA-N 430.886 5.769 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919581 QYUVWDDMYYQMPU-LPHOPBHVSA-N 426.398 5.542 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)c(Br)c1 1146541 SILODJPWZPLIGW-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N(Cc3c(Cl)cccc3Cl)C(=O)[C@@H]2C)cc1 1381913 PFKPDMMBANWANT-INIZCTEOSA-N 439.342 5.884 0 40 IKAB O=c1c(-c2ccccc2)c(SCCO)n(-c2ccccc2)c(=S)n1-c1ccccc1 1644221 LGFITQNPWHLSOA-UHFFFAOYSA-N 432.570 5.109 0 40 IKAB Cc1cccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c1C 1786412 HDMZSCJXGAUDAR-UHFFFAOYSA-N 445.382 5.987 0 40 IKAB C[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1931525 ICCQLLSDRXHQJF-LBPRGKRZSA-N 427.850 5.840 0 40 IKAB Cc1ccc2oc(-c3ccco3)c(OCC(=O)Nc3ccccc3C(F)(F)F)c(=O)c2c1 1952008 DSRLHZQIXSWUGR-UHFFFAOYSA-N 443.377 5.398 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1ccc(-c2ccccc2)cc1 2069727 ICGWSYYHMPXNII-UHFFFAOYSA-N 426.903 6.512 0 40 IKAB CC(C)CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 2092637 ZFLYROOQBJFYQF-RPLLCQBOSA-N 443.591 5.022 0 40 IKAB biogenic Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2cccc(Cl)c2)cc1 2205609 COEPTWNHZTZCGQ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCC[C@@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2216041 WFKNMPYLAFGKJA-SNVBAGLBSA-N 440.421 6.114 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@@H](C(C)(C)C)C3 2360288 PTPYUTFVMLPNQL-QGZVFWFLSA-N 440.678 6.799 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccco1 2418485 LBNULNMDZCDGFS-LJQANCHMSA-N 426.255 5.438 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 2453843 GJEALWLDZICCJG-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CC(C)(C)c1cc(NC(=O)COC(=O)/C=C/c2ccc(Cl)cc2)n(-c2ccccc2)n1 2650633 JZXHECUDJJNQRM-SDNWHVSQSA-N 437.927 5.018 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 2737476 NYIPDIKIQAIULX-QHHAFSJGSA-N 444.170 7.076 0 40 IKAB O=C(CSc1nc(Nc2ccc3c(c2)OCO3)c2ccccc2n1)c1ccc(Cl)cc1 2948932 HQKOAFPZNGVLLB-UHFFFAOYSA-N 449.919 5.731 0 40 IKAB CC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C 3065084 XEJUWOWOZCKXHQ-IQGLISFBSA-N 432.495 5.124 0 40 IKAB S=c1oc(-c2ccc(Cl)cc2Cl)nn1CN(c1ccccc1)c1ccccc1 3095158 GQQXWGYBLBBOQE-UHFFFAOYSA-N 428.344 6.975 0 40 IKAB COc1ccc(CN2C(=O)/C(=C\Nc3cc(Cl)ccc3C)c3ccccc3C2=O)cc1 3223390 NSDLPRZVJYUDRM-HMAPJEAMSA-N 432.907 5.293 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655566 TZSRUGLTVDTVJW-UHFFFAOYSA-N 437.854 5.782 0 40 IKAB O=C(c1cccc(F)c1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 3766642 CIIMRFHKWCSFPS-UHFFFAOYSA-N 441.293 6.505 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H]2CCCC[C@@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 4657040 QUCBRXBTRUSUBQ-ZEQRLZLVSA-N 434.624 5.753 0 40 IKAB O=C(NC1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415094 ZTXVCSDPYBRQCP-WMZHIEFXSA-N 441.575 5.130 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4cccc(Br)c4)cc3n2)cc1 8590045 PDYNDTWZQYVAAF-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB CSc1nc(N2CCCC[C@H]2C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 8657509 CTJQSCSQRCYHSY-CQSZACIVSA-N 426.655 6.027 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1nc3ccccc3n1C)oc1ccccc12 8684869 ZBXPOEZBBLPVLJ-CQSZACIVSA-N 431.517 5.601 0 40 IKAB O=C(CCCSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1cccs1 8710684 XTPZUOOQTPUGDY-UHFFFAOYSA-N 440.981 5.799 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c(F)c1F 8831851 IJYHHAWXMWUXOK-UHFFFAOYSA-N 446.425 6.089 0 40 IKAB COc1ccc([C@@H]2CCCCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)cc1 8880982 ONIIWURLKHRGIM-QFIPXVFZSA-N 444.535 5.826 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 9059422 NYVRXFPSGIVMMH-LJQANCHMSA-N 440.572 5.942 0 40 IKAB O=C1[C@H]2CCC[C@@H]1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 9183471 QVDGXRZENJEJRK-RDGPPVDQSA-N 449.186 5.583 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1 9308129 SIMLVMOCLRXUDS-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1cccc(C(F)(F)F)c1 9403953 YUDRQYKESPICFT-UHFFFAOYSA-N 435.452 5.178 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(F)cc2)c2ccc(Cl)cc21 9434902 NIHRPBXDJUEBEG-GYCJOSAFSA-N 436.914 6.012 0 40 IKAB CN(C(=O)c1ccccc1F)C1(C(=O)Nc2ccc(Br)cc2)CCCCC1 9678935 ABGOWUIAEBNMAL-UHFFFAOYSA-N 433.321 5.002 0 40 IKAB CCCCc1ccc(Nc2nc(Nc3ccc(Cl)cc3)nc(N3CCOCC3)n2)cc1 9708843 YNPCMZBKZOCQED-UHFFFAOYSA-N 438.963 5.191 0 40 IKAB O=C(CSc1ccccc1C(=O)Nc1ccc(-c2ccccc2)cc1)NCc1ccco1 9866288 WTKGSTRDDCDEMV-UHFFFAOYSA-N 442.540 5.607 0 40 IKAB CCOc1ccc(NC(=O)CCC(=O)n2nc(-c3ccccc3)cc2-c2ccccc2)cc1 12039981 NVNZUQMFBIIPKQ-UHFFFAOYSA-N 439.515 5.675 0 40 IKAB CCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12196514 QNRORTJHDPKVDY-OZXSUGGESA-N 430.504 5.345 0 40 IKAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)nc2c1 12311762 WIJJABQHXPDHBU-UHFFFAOYSA-N 444.585 6.187 0 40 IKAB O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@H]1c1cccs1 12506709 BSEBALTVPBZBRN-FLSMSTFGSA-N 429.545 5.352 0 40 IKAB CC(C)c1ccccc1-n1c(SCc2nnsc2Cl)nnc1-c1cccnc1 12536656 GNFUTMGHIGABND-UHFFFAOYSA-N 428.974 5.250 0 40 IKAB CN(C(=O)CSc1nncn1-c1cccc(Cl)c1)C(c1ccccc1)c1ccccc1 12537120 YOCZKRQROKXSDJ-UHFFFAOYSA-N 448.979 5.261 0 40 IKAB O=C(CSCc1coc(-c2ccccc2)n1)Nc1c(Cl)cccc1C(F)(F)F 12791686 FNEKTILODHJGBW-UHFFFAOYSA-N 426.847 5.886 0 40 IKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 12818559 XRLVRBYWKWTZHL-IBGZPJMESA-N 428.561 5.369 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)c2ccc(SCc3nc(C)no3)cc2)cc1 12888938 XTVBMOSBQKSZOQ-UHFFFAOYSA-N 431.517 6.023 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)c(-c3nnc4n3CCCCC4)c2)c(C)c1 12905679 CCXZGJNRBIUTJA-UHFFFAOYSA-N 444.988 5.051 0 40 IKAB CC1CCN(Cc2nc(Oc3ccc4ccc(=O)oc4c3)c3c4c(sc3n2)CCC4)CC1 13038986 VXNCUKSCVRLPGQ-UHFFFAOYSA-N 447.560 5.311 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)cc3C)[C@H]2c2ccccc2)cc1 13119637 BWELKUYWTJPBDZ-ZEQKJWHPSA-N 428.532 5.435 0 40 IKAB CCOc1ccc2nc(NC(=O)CSc3cccc4cccc(Cl)c34)sc2c1 13132002 OQDAQULSIKYWMT-UHFFFAOYSA-N 428.966 6.232 0 40 IKAB COc1ccc2c(COC(=O)c3cc(-c4cccs4)nc4ccccc34)cc(=O)oc2c1 13141996 NXWUMINLYGRJNN-UHFFFAOYSA-N 443.480 5.435 0 40 IKAB CC[C@H](c1nnnn1C1CCCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 13501140 FZJPEGXRVQXQEN-XMMPIXPASA-N 448.615 5.224 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1 13751937 RFQBIYMAMILLPK-KNQAVFIVSA-N 439.309 5.601 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 14070201 VIHRUGJIFVHYSH-CYBMUJFWSA-N 435.380 5.241 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)o2)c(C)n1C(c1ccccc1)c1ccccc1 14244632 JIWJZHZTZHXZSG-UHFFFAOYSA-N 443.572 5.978 0 40 IKAB Cc1ccn2c(NC(=O)CCc3ncc(-c4ccccc4F)o3)c(-c3ccccc3)nc2c1 14780135 VVHXAWIMIOAAAV-UHFFFAOYSA-N 440.478 5.675 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3cccs3)on2)cc1F 15833069 CSGXKJBMDHSDFO-UHFFFAOYSA-N 446.459 6.080 0 40 IKAB Cc1ccc(Cl)c2sc(N3CCN(C(=O)c4ccc(OC(C)C)cc4)CC3)nc12 15882436 GDLQOXLIWCFLLR-UHFFFAOYSA-N 429.973 5.008 0 40 IKAB Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)c1 16757911 SYYVPQORPWWNEQ-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB Fc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2c[nH]c3ccccc23)cc1 17178078 CEXLFJGOWHOLAK-RMKNXTFCSA-N 426.520 6.360 0 40 IKAB O=C(c1ccc(F)c(Cl)c1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19376522 QLMDEVIQERODKL-UHFFFAOYSA-N 436.874 5.097 0 40 IKAB COc1ccccc1-c1ccccc1C[C@]1(C(=O)O)CCCN(Cc2ccccc2F)C1 19571711 GZLWUCAYSYUJBO-HHHXNRCGSA-N 433.523 5.411 0 40 IKAB CCOc1ccccc1Cc1ccc([C@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)nc1 19692283 RTZJLUNWWLCVFG-HHHXNRCGSA-N 448.611 5.039 0 40 IKAB O=c1[nH]c(N2CCCCC2)nc2nccc(-c3ccc(OCc4ccc(Cl)cc4)cc3)c12 19819832 YDLMBWAJNHORBC-UHFFFAOYSA-N 446.938 5.208 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)c2c1 20382382 WVEHBHISLMRUFS-UHFFFAOYSA-N 438.936 5.342 0 40 IKAB COc1ccc([C@@H](Nc2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770842 KOJDCQKKRXBCFJ-RUZDIDTESA-N 442.584 6.827 0 40 IKAB O=C(NC1C[C@@H](C(F)(F)F)C[C@H](C(F)(F)F)C1)c1ccc(N2CCCCCC2)nc1 30017740 DKBJLIWYDAQICO-GJZGRUSLSA-N 437.428 5.101 0 40 IKAB CCN(CC)[P@@]1(=Nc2ccc(C)c(C)c2)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693735 NXIZAKIOXIQVEU-WVQAKYLLSA-N 449.583 6.878 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)n1 32841599 FYXYMGCSHHNUBE-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 35362271 HCYCZLDWFPEKQV-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CC1=C[C@@H](CNC(=O)C(C)(C)C)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 35442814 PPDWTLYWYQXQKT-BJLQDIEVSA-N 427.564 5.435 0 40 IKAB biogenic,in-vitro Cc1ccc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccccc3)n2c1 35615724 PINXIZUFELNJLF-UHFFFAOYSA-N 427.592 7.354 0 40 IKAB O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36365222 RNBVAGVCFPQNJJ-XMMPIXPASA-N 444.506 5.617 0 40 IKAB CCCCCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 39427744 KOOLQRGEXVQIEW-XMMPIXPASA-N 445.567 5.392 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)C1CCN(Cc2ccc(Cl)cc2)CC1 39768564 NIGYKWGCUAEZJA-UHFFFAOYSA-N 437.008 6.342 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 44842411 OLHSLORWHSTWER-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc2nccnc2c1 58196733 NAWGJBIOVYWOSY-HSZRJFAPSA-N 443.963 5.831 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1C 59294067 KRHIQTKRBNIICM-UHFFFAOYSA-N 444.984 5.717 0 40 IKAB Cc1cccc(-c2csc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2-n2cccc2)c1 64872281 TWCKXXIMEDISFV-UHFFFAOYSA-N 442.462 6.665 0 40 IKAB Fc1cccc(-c2nnc([C@@H]3CC34CCN(Cc3ccc(F)c5cccnc35)CC4)o2)c1 71890564 ZUVCDFUXUWPOSW-FQEVSTJZSA-N 432.474 5.333 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1 72215869 QKKRVAXUICJGHA-QHCPKHFHSA-N 443.547 6.132 0 40 IKAB Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc1 72353171 IWGSORPFAXNRLZ-JOCHJYFZSA-N 435.616 5.139 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119669 RYSFZDZRRNXNKT-UHFFFAOYSA-N 444.274 5.245 0 40 IKAB CC(C)c1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221523 RGXUVIPHALFQRH-OAQYLSRUSA-N 426.468 5.730 0 40 IKAB biogenic CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 100946029 SDKLWRWAVXGWGH-PFBJBMPXSA-N 448.522 5.453 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102907327 LVGZMGSXWWSUIU-RCRDTURJSA-N 431.882 5.247 0 40 IKAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 108025838 CYVJVHWMJCJVLO-CJNGLKHVSA-N 432.977 5.152 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1cc2cc(Br)ccc2o1 108924202 QHYUWQKPRCHSCI-UHFFFAOYSA-N 428.355 6.074 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 219264941 GYCIDMNXXAEPQI-UHFFFAOYSA-N 433.573 6.431 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(F)cccc1Cl 222917497 WENAJUAQUBHHNK-NRFANRHFSA-N 438.008 5.984 0 40 IKAB COC(=O)c1cc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)ccc1Cl 223828717 RNXWBISAYILXKA-UHFFFAOYSA-N 447.965 5.220 0 40 IKAB CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)c(C)c2)c1 224208843 XCGFGFSBHDIMOK-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1N(C)S(=O)(=O)c1ccccc1 224289617 KOOFBWBZKYRNJJ-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224393852 PCSYKDOUEFFORT-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccncc2)N1c1ccc(Cl)cc1 224456931 CTVKSMXDDASFJZ-FCHUYYIVSA-N 431.952 5.098 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1 224536172 KFLMXOYKBJXMBH-UHFFFAOYSA-N 444.575 5.244 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 224913388 WZNRQGPFPNMQSK-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 225281231 CEIAHHRIXOUTEM-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225424734 GLNPEMMPYGFBII-JOCHJYFZSA-N 447.044 5.198 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4)cc3)CCCCC2)c1 225540148 LPEFBRGUCDLKHV-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1OCC 225750042 QSNNVQABCYDTHC-CQSZACIVSA-N 437.403 5.603 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257285959 PJOFFVSFUMUGBA-QHCPKHFHSA-N 442.519 5.105 0 40 IKAB O=C(c1ccc(F)cc1)N1CCO[C@@H](c2cccc(Cc3ccccc3C(F)(F)F)n2)C1 257297686 RIMGXKQBXGVLFK-JOCHJYFZSA-N 444.428 5.044 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257313173 URHHZPIQMWGIRY-NRFANRHFSA-N 435.430 5.176 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NCCSCc1ccc(Cl)cc1 408547965 PESHEWPBMRWLRR-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 408571221 AIXKKSZTJDRVEA-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CCCCCCOc1ccc(/C=C2\N=C(c3cccc(Br)c3)OC2=O)cc1 408760959 BEPDQSMRPZSSJJ-ZHZULCJRSA-N 428.326 5.753 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cc(Cl)ccc2O)C1=O 408801910 WYDCEKGRICSTCZ-WFWAGITPSA-N 427.977 6.100 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 408906181 AUMRHFUTLNQWNX-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409095720 IJZRIGDGSPLZQO-LICLKQGHSA-N 438.332 5.637 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409118144 NHBAPCBBFKBLMH-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409172941 MXPKOQYPZFPWLO-ZYAQVELZSA-N 442.990 6.567 0 40 IKAB COc1ccccc1CNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409175331 XGPUDFNNUQENTM-HNJSHPOXSA-N 438.571 5.922 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)o2)C1=O)Nc1ccccc1Cl 409242023 ZZRHOSWVBSGEKU-XDHOZWIPSA-N 438.892 5.275 0 40 IKAB O=C1C[C@H](c2cc(F)c(F)c(F)c2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524731778 KILAVLQXCNZKAJ-CYBMUJFWSA-N 438.357 5.024 0 40 IKAB biogenic COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 585151770 DDJQPKIYMRDBMA-UHFFFAOYSA-N 445.953 5.130 0 40 IKAB O=C1NC[C@]2(CCCCCCOc3ccccc31)CCCN(C(=O)CCC1CCCC1)C2 643588999 LMLUZPSYIVYXIA-MHZLTWQESA-N 440.628 5.339 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037845955 IIHWCSSEJYIJBH-MRXNPFEDSA-N 437.902 5.559 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 919583 QYUVWDDMYYQMPU-APWZRJJASA-N 426.398 5.542 0 40 IKAB CSc1nc2ccc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)cc2s1 949352 WRXVSHZEQFAEGA-UHFFFAOYSA-N 433.583 6.547 0 40 IKAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 1063122 QEWOLHKRZBSVCU-UHFFFAOYSA-N 439.484 5.394 0 40 IKAB CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc12 1683590 VPALBSZUBPFIFX-AREMUKBSSA-N 425.016 6.799 0 40 IKAB COc1ccccc1C(=O)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1807454 PMVZNGLTSKWVRG-UHFFFAOYSA-N 444.483 6.111 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)[C@](C)(CC)Cc1ccccc1-2 1839450 KNPFGFHJBVFRNV-HHHXNRCGSA-N 432.633 6.796 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3)nc2c1 1864487 DAVAVHSWNHFJPH-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2ccc3ccccc3c2)C(Cl)(Cl)Cl)cc1 2054657 UMHARGQXNAJHLK-OAQYLSRUSA-N 449.809 6.676 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 2253586 LMDFETNURCXUDC-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB Cc1cccc(CSCc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1 2328583 JUTCEHCRTVLUBG-UHFFFAOYSA-N 439.393 6.231 0 40 IKAB CC(C)N(C(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccc1 3296068 ARQNAYVNNNSEQH-UHFFFAOYSA-N 441.449 5.971 0 40 IKAB Cc1ccc(-n2c(SCCCC(=O)c3cccs3)nnc2-c2ccccc2)cc1C 3340064 PGIMXNWKCKUAMI-UHFFFAOYSA-N 433.602 6.368 0 40 IKAB C/C=C(/CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4074030 LPZCCMIISIBREI-RVICVCSDSA-N 426.729 8.191 0 40 IKAB biogenic COc1c2cc(C)cc1-c1cccc(c1)-c1cc(C)cc(c1OC)COCCOCCOC2 4576995 XPDQILBHEPNQKL-UHFFFAOYSA-N 448.559 5.718 0 40 IKAB CC[C@H](C)N(C(=O)NCCCCCCNC(=O)N([C@H](C)CC)[C@H](C)CC)[C@@H](C)CC 5002797 IKUIGTIMDRBBOP-URSFVKLHSA-N 426.690 5.764 0 40 IKAB Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c(Cl)c1 6143838 YGJCLAXNTMNBIY-UHFFFAOYSA-N 438.177 6.723 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2cccc(C)c2)CC1=O 8755288 CKMOXXFASMWQLF-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB Fc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2ccccc2)cc1 8766717 CJLUCNHEDQSJNW-HSZRJFAPSA-N 444.469 6.370 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc2oc(-c3cccnc3)nc2c1 8832104 XGNGZQVWSBSKHI-FMIVXFBMSA-N 441.874 6.455 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1F 8871479 JOHXASZGSVPKIQ-OAHLLOKOSA-N 437.877 5.537 0 40 IKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)ccc1Cl 8915462 FJHCZTNMJDCXST-SFHVURJKSA-N 442.770 5.542 0 40 IKAB O=C(CSc1nc2ccc(Cl)cc2o1)N[C@@H](c1ccc(F)cc1)c1cccs1 9052066 NUUBVEFGPKGEDH-IBGZPJMESA-N 432.929 5.680 0 40 IKAB Cc1csc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2C2CCCC2)n1 9167621 JJFFJGIOWXXTNX-UHFFFAOYSA-N 433.990 5.209 0 40 IKAB COc1ccccc1Cn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccco1 9418881 VTSMUGFDGONSKS-UHFFFAOYSA-N 440.503 5.550 0 40 IKAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Nc2c(Cl)cccc2Cl)cc1 9418946 DVOZWJWRWBAYNY-UHFFFAOYSA-N 443.330 5.770 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 9829778 HCBGBLAAFXRHTJ-UHFFFAOYSA-N 445.953 5.270 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1CC)c1ccccc1 9848759 DSMXFMCFUCWBRW-UHFFFAOYSA-N 435.380 5.417 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3cccnc3SCc3cc(C)on3)cc2)cc1 9914547 GFCYFFMWUVWAMW-UHFFFAOYSA-N 431.517 6.023 0 40 IKAB CC(C)C(=O)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 9948707 LDBGXFFYTXKGPB-UHFFFAOYSA-N 449.558 6.105 0 40 IKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)c(C)c1 9949009 BVMAVDHNFJXWPV-AWEZNQCLSA-N 445.386 5.279 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(OC)cc2s1 10066432 NVNCMUBBRHWOCH-UHFFFAOYSA-N 437.609 5.172 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120139 CWIUQWWNGDQEAQ-UHFFFAOYSA-N 427.287 5.743 0 40 IKAB CCc1cccc(CC)c1-n1c(SC[C@@H](O)c2ccccc2)nnc1-c1cccnc1 10137056 UHNYTZNRWTYQQH-JOCHJYFZSA-N 430.577 5.280 0 40 IKAB COc1cccc(Oc2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)c1 11866305 RRRFDVDKLABOJZ-UHFFFAOYSA-N 443.503 5.428 0 40 IKAB biogenic CC(C)(C)c1cc(NC(=O)Cc2csc(-c3ccsc3)n2)n(Cc2ccccc2)n1 12824475 HFNKNWGTHHJAMK-UHFFFAOYSA-N 436.606 5.595 0 40 IKAB COc1ccc(Oc2cc(NC(=O)c3ccc(-c4nc(C)no4)cc3)ccc2OC)cc1 12881592 KNCVTSNZZYTNNL-UHFFFAOYSA-N 431.448 5.107 0 40 IKAB O=C(COc1ccc(Br)cc1F)N[C@H](c1ccc(F)cc1)c1cccs1 12981715 GAHVOYLXKPXALU-LJQANCHMSA-N 438.293 5.073 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)CCC(=O)c1ccc(F)cc1 13005697 HYLLXJMIGAGWQR-UHFFFAOYSA-N 441.506 5.300 0 40 IKAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1Br)OCO3 13503604 ZHJGQSDDHHVZBW-UHFFFAOYSA-N 445.338 5.019 0 40 IKAB c1ccc(CCn2nnnc2[C@H](c2cccs2)N2CCC(Cc3ccccc3)CC2)cc1 13511614 LNXTVSGBJMSVMW-VWLOTQADSA-N 443.620 5.021 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1Cc1ccco1 13512522 IHGQPQQSYDEEDD-UHFFFAOYSA-N 446.891 5.011 0 40 IKAB COC(=O)c1ccc(C)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 14663051 QHJOOXNKABSFBQ-UHFFFAOYSA-N 432.501 5.467 0 40 IKAB COc1ccccc1N1CC(=O)N(c2ccc(C)cc2C)[C@H](/C(C)=C/c2ccccc2)C1=O 15412569 ZQSWSQIKTQGMNT-PCLGYLGWSA-N 440.543 5.164 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1cccc(C(F)(F)F)c1 16525216 GXHQSPWKQRQHDT-PKNBQFBNSA-N 436.389 5.304 0 40 IKAB CCCCOc1ccc([C@@H](CC(=O)c2ccc(Cl)cc2)Nc2ccc(Cl)cc2)cc1 16639247 OVKKSHBLYZHJDE-XMMPIXPASA-N 442.386 7.599 0 40 IKAB CCN(CC)CCNC(=O)c1sc2c(cnc3ccc(OC)cc32)c1-c1ccccc1 16846845 KIMIZIDUFQVYSQ-UHFFFAOYSA-N 433.577 5.197 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)c1 17097996 PBYREAXNHJKIAX-UHFFFAOYSA-N 432.523 6.882 0 40 IKAB CC(C)(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17099102 REWRINMDFDPNKC-UHFFFAOYSA-N 434.561 5.396 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1cccc(F)c1 17099400 UGJZYCPODOVYCL-RMKNXTFCSA-N 435.307 5.919 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)ccc3o2)c(C)c1 17101159 PQMLWGKBTRIEBW-BJMVGYQFSA-N 437.326 7.070 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294122 OUPZOOKRLHQXKL-JPYJTQIMSA-N 443.526 5.441 0 40 IKAB CCc1ccccc1Nc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)c2sccn12 19523099 LMRPOANIJMMTBF-GOSISDBHSA-N 431.565 5.117 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690413 PJUCBDHBSUDEFS-UHFFFAOYSA-N 441.550 5.632 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 19929146 BAGDYNLLGLNXRP-UHFFFAOYSA-N 435.292 5.394 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 19932218 ZHABBYGJNSXTTN-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144551 DWQQYNCSIOVTHP-UHFFFAOYSA-N 440.710 5.725 0 40 IKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(I)c1 20412090 WTJVLBIIMBUUHI-UHFFFAOYSA-N 449.288 5.033 0 40 IKAB CCc1ccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969915 WFQDBYGMEAJOFS-DEOSSOPVSA-N 426.495 5.665 0 40 IKAB CCc1ccc([C@@H]2C(C(=O)Nc3ccc(OC)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20970240 CCCGZRRKGTVMLY-RUZDIDTESA-N 438.531 5.535 0 40 IKAB CCCn1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccc(C(F)(F)F)cc21 23636123 INBGSIFVUYAENP-GFCCVEGCSA-N 432.471 5.555 0 40 IKAB COc1cccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770793 OUXACDDJWBDHJA-VWLOTQADSA-N 442.584 6.827 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 32109331 VYZSGVVXLNQYHW-UHFFFAOYSA-N 434.923 6.888 0 40 IKAB Cc1nn2c3c(c(-c4cccnc4)nc2c1-c1ccc(Cl)cc1)C[C@@H](C(C)(C)C)CC3 48512738 TWSKRJCHFMKNQE-IBGZPJMESA-N 430.983 6.571 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N[C@H](c1ccc(F)cc1)c1cccs1 57541860 GZQOVTRWNODYQI-SPLOXXLWSA-N 432.948 5.564 0 40 IKAB Cc1ccc(N(C)C(=O)c2nc(-c3cccs3)n(-c3cccc(C(F)(F)F)c3)n2)cc1 60352294 MIHAPEREIXGMDE-UHFFFAOYSA-N 442.466 5.600 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cc(F)ccc1Cl 67292969 QSEOKLVVWORWFY-IAIVQWBNSA-N 435.282 5.020 0 40 IKAB O[C@H](CN(Cc1ccccc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccco1 79053387 WZFZVNKSABYYQY-LJQANCHMSA-N 443.425 5.084 0 40 IKAB O=C(NCc1ccc(F)cc1F)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038143 BJLMZCRWRUMXEU-UHFFFAOYSA-N 446.432 5.139 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072849 PVGXALYHMIIANX-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 102747521 LCHKXPXWDLBGEY-OUIFVKKZSA-N 445.902 5.261 0 40 IKAB Fc1ccc(NCc2c(OCc3ccc(Cl)cc3)ccc3ccccc23)cc1Cl 107043305 VZZGIUWGNXWRPI-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2Cl)cc1C 108141349 ZEEUAXHNQHBYEC-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222714370 PEMSJELLBXYPAS-GOSISDBHSA-N 447.044 5.214 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3ccccc3c2)cc1 222926272 IQULSBLXBFCSAD-KQWNVCNZSA-N 428.513 5.320 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 222955195 ISKNCLMOKHKGDL-YKSBVNFPSA-N 430.548 5.591 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 223225679 JUFIXIWIODKLCS-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223656213 STAAWZFYDJVTBF-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)cc1 223871673 WUMNYRGWEBEGFM-PKTZIBPZSA-N 445.569 5.709 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccccc1 224163037 GKNABIASVRGWFB-CLJLJLNGSA-N 438.600 5.725 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1 224346828 KDQKEXDEOOKGQK-RPBOFIJWSA-N 439.588 5.066 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224517228 HPNFUGFDXPORDU-UHFFFAOYSA-N 435.539 6.031 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224768439 CSGFLMAMSDQBHM-QHCPKHFHSA-N 442.603 5.461 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 224882266 UDENMSRYWKFLSS-CYBMUJFWSA-N 433.733 5.568 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225116178 NAODTNGBBFHEPX-PMACEKPBSA-N 445.003 5.139 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccccc3Cl)c2)cc1 225372211 LIDHEYMOLIWQAI-UHFFFAOYSA-N 437.008 6.355 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225526238 GJKGQAATUYVNEU-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257257934 KRRUJMKUCTZWOK-UHFFFAOYSA-N 430.479 5.892 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257266885 MEZPMYYZSWWVAT-QGZVFWFLSA-N 449.457 5.218 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257302161 SBTJZDXBGIJWTH-IBGZPJMESA-N 438.641 5.423 0 40 IKAB COc1cc2c(cc1CN1CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C1)CCC2 257332304 XWRUPDSOYWJZHA-DEOSSOPVSA-N 447.022 6.203 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@H]2CCCO2)c(C)n1C1CCCCC1 260911655 COWJWFKIRMTNBW-FGCOXFRFSA-N 438.641 5.157 0 40 IKAB Clc1cc(NCc2cccc(OCc3ccccc3Cl)c2)ccc1Br 408554906 DYXFVNJREDJPPQ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)cc1C 408694586 KQIDBJRBLKZQMV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(C)ccc3C)n2)cc1 408695055 OKCVIRQNPVCYNS-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2)n1 408696963 CTWATVYHOOZBCV-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccc(F)cc1 409134370 OZAYTNCXNDZHSU-UCQKPKSFSA-N 431.507 5.957 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c(Br)cc1O 409139025 LKCGGTDDYZVIIG-RQZCQDPDSA-N 440.359 5.170 0 40 IKAB O=C(c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCCCCO2)N1CCCC1 643580007 NFLFEMBSVKOUJR-UHFFFAOYSA-N 432.608 5.431 0 40 IKAB O=C(NC(=S)Nc1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)c1ccccc1 675031479 QESDDAOSSNKXEB-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB Cc1c(-c2ccc(Br)s2)nc2ccc(Br)cc2c1C(=O)O 648663 GNQWNKAPUDRNHG-UHFFFAOYSA-N 427.117 5.495 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NCc3ccccc3)cc2c1 1327183 CPXOFESVHCQEQT-UHFFFAOYSA-N 439.559 5.045 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1332818 LYMMXWNOTMWDKS-UHFFFAOYSA-N 438.622 5.244 0 40 IKAB CCOC(=O)CSc1cc(CSc2ccc(Cl)cc2)nc(-c2cccnc2)n1 1387487 VKOUVUAGERFFIC-UHFFFAOYSA-N 431.970 5.140 0 40 IKAB Cc1cc(Oc2coc3cc(OCc4ccccc4Cl)ccc3c2=O)cc(C)c1Cl 1775150 IPXJLKIBYNBKGE-UHFFFAOYSA-N 441.310 7.088 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(Cl)cc3)cc2o1 2117169 IWVAXDRVTRCMCP-UHFFFAOYSA-N 430.843 5.799 0 40 IKAB biogenic CCCCc1cc(=O)oc2cc(OCC(=O)c3c(C)n(C)c4ccccc34)c(Cl)cc12 2158948 VKDZJVAMKMHADA-UHFFFAOYSA-N 437.923 5.851 0 40 IKAB biogenic CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cccc(Br)c1 2177502 NSFFGGGTKOECMM-OJVSJSBUSA-N 446.388 6.567 0 40 IKAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 2205807 SFXWYBRACHQPMR-QHCPKHFHSA-N 444.512 5.775 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2ccccc2)cc1 2245390 DPTMDAQMOAWFMQ-WXGMZPBLSA-N 448.547 6.816 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1Cl)c1ccc(Cl)cc1 2269483 ONHQJVQFWIBJKZ-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c1 2339314 KINAJBWBXCSZNO-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccc(Cl)cc2)c1 2453653 CJMALLGZTJIPBQ-UHFFFAOYSA-N 437.927 6.010 0 40 IKAB C[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C(=O)Nc1ccc2ccccc2c1 2652480 NMHPJAHBQDMEGM-CYBMUJFWSA-N 435.574 5.136 0 40 IKAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1ccccc1F 2713430 NCBPBTGTDKSNKA-UHFFFAOYSA-N 445.475 5.002 0 40 IKAB COc1ccccc1-c1csc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)n1 3176569 ATYLRTINFJOSLU-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB S=C(NCc1ccccc1)Nc1ccc(NC(=S)NCc2ccccc2)c(Cl)c1 3231826 TYKRNNDRKAZJFY-UHFFFAOYSA-N 441.025 5.313 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccco3)nc3ccccc23)CC1 3304491 WZHHSJSLCCOEBB-UHFFFAOYSA-N 431.923 5.419 0 40 IKAB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc2ccccc12 3312009 KWQDYPYTRANPCT-QHCPKHFHSA-N 449.428 6.395 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c2ccccc21 3317980 SUJCVBXHTDZWIX-SAPNQHFASA-N 427.475 5.907 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 3865098 ZCJKFYHNWQJUCU-OAUMQMJJSA-N 430.529 5.220 0 40 IKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@]23CN(C)C2(CCN(C)CC2)O3)C1 4041066 YKZPJVAZIXEHHB-QWZPYLIWSA-N 442.688 5.087 0 40 IKAB biogenic CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(-c2ccccn2)nc2ccccc12 6147225 AOUTZIYYNSFYLY-UHFFFAOYSA-N 440.503 5.158 0 40 IKAB CCN(CC)CCC[C@@H](C)Nc1ccnc2cc(Cl)c(SCc3ccccc3)cc12 8614498 CPNZFAYIRSHTEY-LJQANCHMSA-N 442.072 7.103 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CCS(=O)(=O)c4ccccc4)cc3)sc2c1 8860154 GIFAHHVUDCKIJC-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB COc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 8916810 NUOQWMJBQZKGPV-GDLZYMKVSA-N 433.555 6.663 0 40 IKAB CCN(CC)C(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCCC3 9086461 FRBGWFNUIMAXJQ-UHFFFAOYSA-N 442.654 5.277 0 40 IKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccc(N2CCOCC2)cc1 9507561 VMGUEZAYZXLKCV-UHFFFAOYSA-N 448.375 5.135 0 40 IKAB COc1ccc(CN(C(=O)c2ccc(-c3nnc(-c4ccc(C)cc4)o3)cc2)C2CC2)cc1 9532942 KBDZPYJZVPGUEG-UHFFFAOYSA-N 439.515 5.525 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)c1 9594778 GPMBZHDKPZERRR-UHFFFAOYSA-N 435.911 5.993 0 40 IKAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(C4CC4)n3Cc3ccccc3)sc2c1 9797793 IVMZIOGKGGYWPK-UHFFFAOYSA-N 449.605 5.161 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1c(F)cccc1Cl 11867280 HMJFKOGOUQLFDD-UHFFFAOYSA-N 429.900 6.159 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COC(=O)c1ccccc1C(F)(F)F 12568693 PHRNCZXALPOJSD-UHFFFAOYSA-N 449.347 5.309 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)c2ccccc2n1 13121508 OFRMIMLQMGHTSZ-UHFFFAOYSA-N 432.549 5.057 0 40 IKAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2)c(C)n1Cc1ccccc1Cl 13133677 JBMIGYOTECDKJQ-UHFFFAOYSA-N 436.968 5.362 0 40 IKAB Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 13512296 AMGADLQGZRNVQK-BSUKRJNLSA-N 433.382 7.794 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)oc3ccc(Cl)cc3c2=O)cc1 13577076 OPAFHXPIXWKRFI-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Cc1ccc(-c2nn(Cc3ccccc3C)c(-c3ccc(C)cc3)c2Br)cc1 13960560 TWFALSVOXSUJCQ-UHFFFAOYSA-N 431.377 6.953 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@@H]4CCSc5ccc(F)cc54)cc3)o2)cc1 14230529 TVSCNLHTQOQBPO-OAQYLSRUSA-N 445.519 5.818 0 40 IKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Br)ccc3c2C)cc1 15729410 GJXPQBMGRXWSSU-UHFFFAOYSA-N 448.316 6.295 0 40 IKAB biogenic COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Br)c1OC 15947678 QPICGJYSQHRQCU-XYZCENFISA-N 437.359 5.082 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@@H]2[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 16275728 SRFOTTJWRPTJKS-WAWARTBOSA-N 445.562 5.723 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccc(F)cc2)S1 16754517 PYVPNZPPRXQWOV-NUFHBSHBSA-N 443.503 5.521 0 40 IKAB Cc1ccc2nc(NC(=O)CCCCC(=O)Nc3nc4ccc(C)cc4s3)sc2c1 17102690 CXMRWGJWHWPECU-UHFFFAOYSA-N 438.578 5.660 0 40 IKAB CCOc1ccc(N/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)c3ccccc32)cc1 18058428 MYIIMUMHULTDPO-JJIBRWJFSA-N 428.488 5.124 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)CCc2cc(OC)c(OC)c(OC)c2)cc1 18238730 FZGKVVLSJKQWQU-UHFFFAOYSA-N 437.492 5.085 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCCCN3C[C@@H]3CCOC3)nn12 19344168 ZZEZIEAAAHYMJO-WMLDXEAASA-N 436.503 5.040 0 40 IKAB O=C(Nc1nccs1)c1cc([C@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 19761633 LFFVXVFYYWLOPK-SFHVURJKSA-N 448.592 5.230 0 40 IKAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1Cl 19934381 KAZMARKOYNLRJV-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1C 20040325 WIYQILJKPMVQEF-SANMLTNESA-N 441.596 7.237 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Br 20142314 MRLGGCKGTZFBCW-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 20489746 QNTJAVQRLJGYPY-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(CC(c1ccccc1)c1ccccc1)CO3 20609924 ZZAPLDURMRDTEO-UHFFFAOYSA-N 425.528 5.648 0 40 IKAB biogenic Cc1cccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)c1 20618566 DQJCLHRMZZAWKO-UHFFFAOYSA-N 446.450 5.349 0 40 IKAB COc1ccccc1NC(=O)[C@@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20730758 PSNTTYDAPPPORH-VWLOTQADSA-N 440.543 5.386 0 40 IKAB Cc1ccc(-c2noc(CN(CC(C)C)C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)n2)cc1 22255837 NZMODONSDGBIHD-QHCPKHFHSA-N 446.595 5.255 0 40 IKAB CC(C)c1ccc2c(c1)[C@@]1(CC(O)=Nc3c1sc(C(=O)O)c3-c1ccccc1)C(=O)N2C 32071501 SMCNUOIHIVLFPB-RUZDIDTESA-N 446.528 5.491 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 32895243 ZEKDWHVFYSIZCS-LLVKDONJSA-N 428.266 5.164 0 40 IKAB COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(F)cc1 33737187 PPNBOVAWTHZUFC-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1c(OCC)ccc2ccc(OCC)cc12 33751049 FIOYVBHBMRCJIN-QFIPXVFZSA-N 438.549 5.405 0 40 IKAB O=C(Nc1ccc(Br)cc1F)C1CCN(Cc2ccccc2Cl)CC1 39765665 ZLMZLFOEUQQSRN-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 39773086 NXVSTIMCRANIIG-OAQYLSRUSA-N 441.575 5.028 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1N1CCC(Cc2ccccc2)CC1)N1CCCCC1 67288123 QWRHFVUTNKMEHV-UHFFFAOYSA-N 431.555 5.459 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72215015 NANMLYBHNIKVGM-JOCHJYFZSA-N 437.584 5.991 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCC1 72215599 UYEKTUAGTQYIOR-HSZRJFAPSA-N 449.595 6.133 0 40 IKAB Cc1c(-c2nnc3sc(C=C(c4ccccc4)c4ccccc4)nn23)oc2ccccc12 96194391 FKXUMLJEMYDQAT-UHFFFAOYSA-N 434.524 6.496 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)[C@@H](c3ccccc3)C2=C(O)C1 102667853 ACFXPWMTCACFQC-NDEPHWFRSA-N 448.570 7.029 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4Br)C3=N)n2)cc1 102735334 MNIDLDIOFISZRO-UHFFFAOYSA-N 442.338 5.348 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccco1 102984735 RHAOXPWIIXEHJR-XRHLQHRESA-N 444.531 7.003 0 40 IKAB Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 107026935 GAIQERSEDBEGJS-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 195528914 FDBXCQIAUYDMBI-QBQLGQOSSA-N 430.481 5.487 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 222537574 FPIMEBVJLXHSBG-QHCPKHFHSA-N 445.003 5.139 0 40 IKAB CC(C)C[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 222538255 YMELRRJROIXIIW-DEOSSOPVSA-N 436.577 5.029 0 40 IKAB CCOc1ccc(Br)cc1[C@H]1[C@@H](c2ccccn2)N=C2SC[C@@H](CC)N21 222669195 VVKUIRPLTNWJSY-ZMYBRWDISA-N 432.387 5.222 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 223049798 KUECOBNSNQJEFV-DHIUTWEWSA-N 426.630 5.014 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223074807 WEYVZZNJYUVJBG-UHFFFAOYSA-N 439.342 5.516 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223115010 YZGGWNPABONPDG-DQEYMECFSA-N 447.604 6.046 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223701113 VYVPIRLEKGQBCG-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223718443 BURTYHLMDMHQNK-NRFANRHFSA-N 449.422 5.301 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 224022344 NYWIRAKSGVYXMR-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224077853 UBYDMOPBEFIYAA-FCHUYYIVSA-N 434.565 5.063 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NCC(C)C 224142264 SQXQHPKCOLCDAS-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224344104 MBIOHPRIEZCJME-JWQCQUIFSA-N 442.563 5.751 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)c1 224834855 BPAVEAZFGMGLRK-BJKOFHAPSA-N 448.592 5.193 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 224877632 PHMKTZSKNWQLEL-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB COc1cc2c(cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1)CCCC2 224963542 VPZSLAGUGPUAAM-UHFFFAOYSA-N 443.952 5.821 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@@H](CC)C(=O)NC2CCCCC2)cc1 225061917 VELHKOKBZHXAHJ-MHZLTWQESA-N 448.651 5.746 0 40 IKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 225550659 YNLHXVYLWMALNH-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccccc1C 225716895 GRAPVIAOZNHFFP-LEYFIJQKSA-N 434.561 5.104 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1OC(C)C 225767881 QLEUZXDIMYNJTG-UHFFFAOYSA-N 425.525 5.110 0 40 IKAB S=C(NCc1ccccc1)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1 225928819 ODDVSTPWYJOOOF-UHFFFAOYSA-N 433.581 5.136 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CC4CCCC4)C3)cc2N1 248187748 IHDIYCCTENHPEE-RYQLBKOJSA-N 426.527 5.113 0 40 IKAB O=C(O)/C=C/c1ccc(CN2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 257226878 FMNYKEUIVNWANC-YYVWFHOOSA-N 436.939 5.744 0 40 IKAB O=C(N1CCC[C@H](c2cccc(Cc3ccccc3)n2)C1)C1(c2ccccc2)CCOCC1 257249510 JIRVQQCMFBLRSH-DEOSSOPVSA-N 440.587 5.127 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cc(C(C)(C)C)nn3C)C2)n1 257324545 WPFAYCXHJAQTSN-IBGZPJMESA-N 434.559 5.247 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 263583747 XUGISPSHIFXEHZ-FRAVUOSGSA-N 428.701 7.960 0 40 IKAB O=C(Oc1ccc(-c2ccc(Oc3ccccc3)cc2)nn1)c1cccc(Br)c1 408528568 JHLDJXPTPSZEOA-UHFFFAOYSA-N 447.288 5.918 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 408576750 QXBONMSEIULKBW-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408641155 KUPJUCRBUQQOKI-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB COc1cccc(NC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)c1 408667660 CBRZSUKJLALVFF-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)cc1 408694603 KTQWZJBZKFVBPF-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408696201 XQJKGCPMUGXBNR-UHFFFAOYSA-N 445.256 5.772 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccccc3Br)sc2C)c(OC)c1 408822433 BRKUMXFKLIQHLE-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB CCN1C(=O)/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)N(C)C1=S 409031239 JNCFZSBXYAEASP-WQRHYEAKSA-N 435.376 5.301 0 40 IKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc2ccccc12 409109604 IBIJYLYFNMMLNY-UHFFFAOYSA-N 448.360 6.802 0 40 IKAB COC(=O)c1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)ccc1Cl 409323425 NVXQQTXPZAWCRJ-QGOAFFKASA-N 426.299 5.959 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1C 409330049 JWVDNHWVFNACMU-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409410945 BAAFSKHGQCLCKF-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872774 OHBBWUVYNNSCNP-VVSUKSJXSA-N 428.500 5.175 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)cc1OC 671044 LYKHKICSSVGHKM-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB COc1ccc2c(C)cc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)nc2c1 952948 RUCBNRNBXCMUNP-UHFFFAOYSA-N 440.874 5.955 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=S)NC2CCCCC2)cc1 1224651 NJGOUQCACCAFHJ-UHFFFAOYSA-N 449.620 5.055 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc2c1 1327321 PQLFXSILWDCIEC-UHFFFAOYSA-N 437.883 5.017 0 40 IKAB Cc1cc(C)n(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)c3ccccc23)n1 1346285 GDWLIMSRHYPMFR-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCC1)Cc1ccccc1-2 1791454 WECFIMQTKXLOAH-UHFFFAOYSA-N 432.589 5.778 0 40 IKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)[C@@H](C)CCC4)cc1 1831949 VEVZIELVCAIFGY-SFHVURJKSA-N 446.641 6.530 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1cccc(F)c1 2093551 LNLVCOVNWDEKKM-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(C)c(Cl)c2)C4)cc1 2117189 MCGSFGHGTOLJJV-UHFFFAOYSA-N 433.891 5.787 0 40 IKAB biogenic Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\c2ccc(C(C)C)cc2)C1=O 2121534 FIBOGANLBISBKQ-ODLFYWEKSA-N 445.382 5.987 0 40 IKAB Cc1ccc(-c2nc(C(=O)NCc3ccc(Cl)cc3)cc3c2[nH]c2ccccc23)cc1 2138429 PYPDJUZRFIQPGS-UHFFFAOYSA-N 425.919 6.275 0 40 IKAB biogenic O=C(CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1)c1ccccc1 2154472 XUZYGVDMGWTZAV-UHFFFAOYSA-N 438.961 6.177 0 40 IKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2c(F)cccc2Cl)o1 2233526 LIUHQOMOXBHHMD-UHFFFAOYSA-N 429.945 5.392 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 2292060 KKBILTCNWDQHBG-OAHLLOKOSA-N 428.623 5.863 0 40 IKAB CCCCOc1ccc(CONC(=O)COc2ccc(Cl)cc2Cl)cc1Cl 2298746 PZDYPUNRWCSFRX-UHFFFAOYSA-N 432.731 5.453 0 40 IKAB S=c1sc(SCCOc2cccc(Br)c2)nn1-c1ccccc1 2629349 GLXLEMQHRQZDKR-UHFFFAOYSA-N 425.398 5.597 0 40 IKAB CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(C)cc1C)C(Cl)(Cl)Cl 2678318 GWHMOUUSCQSNIW-INIZCTEOSA-N 438.852 5.373 0 40 IKAB CCC(NC(=O)Oc1ccc(C(C)(C)CC(C)(C)C)cc1)(C(F)(F)F)C(F)(F)F 2765475 LRNOYIMIQYFVCL-UHFFFAOYSA-N 427.429 6.762 0 40 IKAB biogenic O=C(NCCC1=CCCCC1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 2951023 UFSWCBREVLQSSY-UHFFFAOYSA-N 445.613 6.707 0 40 IKAB O=C(/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1cc(F)ccc1F 3332224 KKCYVOGBIILTOP-KPKJPENVSA-N 448.878 5.071 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2Cl)s1)c1ccc(CN2CCCCC2)cc1 3399247 FJCRUNVMCPHAKV-UHFFFAOYSA-N 425.985 5.626 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1ccccc1C 3468860 KVUOWBRMJLBTPK-UHFFFAOYSA-N 430.529 5.198 0 40 IKAB aggregator Cc1nc2ccc(OCc3ccccc3)cc2c(O)c1CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 8573257 BYQJGFLOOFXNPR-KMRXNPHXSA-N 430.592 6.228 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](Cc2ccccc2)c2ccccc2)cc1C 8747643 FUGPPGVMZBIOHW-XMMPIXPASA-N 442.588 5.076 0 40 IKAB Cc1ccccc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@H](C(C)(C)C)C3 8765746 DGHYPXGPGFJVLX-SFHVURJKSA-N 447.600 6.846 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCC(Cn2cnc3ccccc3c2=O)CC1 8994553 MLHPJDNJFWFVHE-UHFFFAOYSA-N 430.335 5.148 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccc(NC(=O)c4ccc(C)cc4)cc3)s2)cc1 9062291 CKXWMBVZBAPMBT-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB COC(=O)c1ccc(Oc2c(-c3ccc(OCc4ccccc4)cc3O)n[nH]c2C)cc1 9187783 CYRNGPRPRCODOW-UHFFFAOYSA-N 430.460 5.249 0 40 IKAB O=C1c2ccccc2N[C@H](c2csc(-c3ccc(Cl)cc3)n2)N1C[C@@H]1CCCO1 9206964 AOPSAUVBHSHMCY-JXFKEZNVSA-N 425.941 5.209 0 40 IKAB COc1ccc(C2=NN(C(=O)CNc3ccc4ccccc4c3)[C@H](c3ccco3)C2)cc1 9209226 ZDYYGCROXGUSGZ-DEOSSOPVSA-N 425.488 5.231 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 9415923 PWTZZNWPJANHPT-NRFANRHFSA-N 432.549 5.165 0 40 IKAB Cc1nn([C@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2c(ccc3ccccc32)s1 9507793 OWSSQFFNXSDQLF-HEWZJLJBSA-N 443.981 5.138 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2o1)c1cc(-c2cccs2)nc2ccccc12 11847348 SCNOTOOCDFZKQF-UHFFFAOYSA-N 447.519 7.024 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 12344164 HFGIGULPFCGIMM-FQEVSTJZSA-N 430.291 5.161 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2cccc(Cl)c2)nc2ccccc2c1=O 12650206 OBSUYIQCKKGFTJ-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)Nc3ccc(F)cc3)cc2c1 12711706 JQLLQSLPBJFDML-UHFFFAOYSA-N 449.913 5.863 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CN[C@@H](C)c4ccc(F)c(F)c4)[nH]c(=O)c23)cc1 12890492 ZPFMCSKOADHBIG-ZDUSSCGKSA-N 425.504 5.397 0 40 IKAB COc1ccc(NC(=O)c2ccccc2I)cc1Cc1ccccc1 12996461 RUUAZHCGELLFBI-UHFFFAOYSA-N 443.284 5.143 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(-c3ccc(NC(=O)c4ccccc4)cc3)cs2)cc1 13017027 BSARQOJTVPEVHE-UHFFFAOYSA-N 427.529 5.552 0 40 IKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)cc1 13025449 QZOQJNYGJWAZLJ-XMMPIXPASA-N 431.536 5.245 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 13082911 ZSJUNKCEQZMPCX-KDURUIRLSA-N 435.593 5.109 0 40 IKAB COc1cc(CN(C)c2nc(-c3cccs3)nc3ccccc23)ccc1OC(F)F 13097016 VATYNGLIYOOUBB-UHFFFAOYSA-N 427.476 5.605 0 40 IKAB S=c1n(CN2CCC[C@@H]3CCCC[C@@H]32)nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 13097670 KHMOHZCJMGUPHW-RXVVDRJESA-N 448.592 5.411 0 40 IKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(C4CC4)n3CC)c3ccccc3)c[nH]c12 13119932 DSQXDTCMPMXODV-QHCPKHFHSA-N 430.577 5.935 0 40 IKAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)c1ccccc1 13129130 RHQJTLDEHCWAGX-SFHVURJKSA-N 430.548 5.206 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 13134503 KLVJMRKGSIKZHO-APHAIJBRSA-N 445.522 6.277 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 13306970 IFRMSTLSNACFMZ-XTEPFMGCSA-N 436.942 7.249 0 40 IKAB Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccncc2)c1 13497808 RAYHCJFUNRDJOW-VWLOTQADSA-N 447.604 5.136 0 40 IKAB FC(F)(F)c1cccc(CNc2c3c(nc4cc(-c5cccc(Cl)c5)nn24)CCC3)c1 13562661 RQDPWMJJSDFPQX-UHFFFAOYSA-N 442.872 6.169 0 40 IKAB CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccc(F)cc3)c2c1 13623573 UZFOERZHAYMMIV-UHFFFAOYSA-N 441.458 6.721 0 40 IKAB biogenic Brc1cccc(CSc2nnc(-c3ccccc3)n2Cc2ccco2)c1 13787551 RZIWNCGOHITAST-UHFFFAOYSA-N 426.339 5.641 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2cccc(C)c2C)cc1 13936238 SCSLDJVYRKTDKI-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(Cn1nc(SC)sc1=S)CC2 14187264 ZIGPDMKFDBCCCI-IBGZPJMESA-N 445.635 5.018 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CN3CCC(c4nc5ccccc5s4)CC3)n2)c1 14789028 LOJBJQRNSBEZDQ-UHFFFAOYSA-N 444.482 5.745 0 40 IKAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(-c3nc4ccccc4s3)cc2)cc1OC 15393987 ALNFCBYWZHITMU-MRXNPFEDSA-N 448.544 5.064 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C)cc(Br)c1OC 15649516 DULWMCPQWDYJKI-UHFFFAOYSA-N 443.135 5.180 0 40 IKAB COc1cccc2sc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)nc12 15882407 MHVDYPCMIYFJOY-UHFFFAOYSA-N 445.544 5.060 0 40 IKAB COc1cccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3c(Cl)cccc23)c1 16228079 KHYOFHIPCJTYBV-UHFFFAOYSA-N 446.890 5.587 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 16284416 GOEUIKFVEMLPPR-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2-c2ccc(C)cc2)cc1 16711462 QICGLPLJJTUFJY-RWEWTDSWSA-N 425.384 7.362 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)N[C@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)N[C@H]2c1ccccc1 19300803 ITTQAMYBEGYMAS-HYQNUUMSSA-N 444.578 5.960 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 19400800 RWGULEFLJXTIRU-RUZDIDTESA-N 427.539 5.010 0 40 IKAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1N1C(=O)c2ccccc2C1=O 19633162 NEQJTRPRLQFHIQ-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 19641046 MXZMADVSZUOCBU-INIZCTEOSA-N 444.531 6.586 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4s3)c2)cc1 20157846 UCNJVYPBSULQKQ-UHFFFAOYSA-N 446.528 5.802 0 40 IKAB Cc1nc2ccccc2nc1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 23248953 VMKGPXINKSUETK-UHFFFAOYSA-N 444.529 5.124 0 40 IKAB CCCCSc1nnc(SCC(=O)Nc2c(C)nn(-c3ccc(C)cc3)c2C)s1 23294282 UTIUIWFTLYXBIZ-UHFFFAOYSA-N 447.655 5.272 0 40 IKAB COc1ccc(C(=O)NC[C@@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1 27742256 MUFCNKKBDKROBV-NRFANRHFSA-N 449.348 5.501 0 40 IKAB Cc1ccccc1NC(=O)c1nc(SCc2ccccc2F)ncc1Br 28293103 LUOSVDGOYVRKIO-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccc(F)c2)ccc1NC(=O)c1cc2ccccc2o1 32115598 FNFDTZOPGZEGFM-UHFFFAOYSA-N 447.491 5.259 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1ccccc1Cl 32692477 YUJLHBSBVDARLQ-UHFFFAOYSA-N 431.948 6.195 0 40 IKAB COc1cc(-c2nc3ccccn3c2Nc2ccc(Br)cc2)cc(OC)c1O 35616026 SDNQBSANGIZKIG-UHFFFAOYSA-N 440.297 5.230 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(OC(F)(F)F)cc1 35685012 FWNVGWNSPCHUKE-MRXNPFEDSA-N 448.376 5.068 0 40 IKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 43620416 ARXHRTZAVQOQEU-BRVLHLJYSA-N 430.673 5.496 0 40 IKAB biogenic,in-vitro COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2C)cc1 44086741 ADQBOVKBJOBPLM-UHFFFAOYSA-N 443.572 5.896 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 44937262 OAWKOMASGHVCLR-XMMPIXPASA-N 429.004 5.464 0 40 IKAB Cc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)c(C(=O)N3CCC[C@H](C)C3)cnc2n1 49005372 SWICSWGEJOYCLA-AWEZNQCLSA-N 444.457 5.453 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 58327721 IAJMEQRMEVGCSL-IBGZPJMESA-N 429.303 5.816 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@@H]2c2nc3ccccc3n2C(C)C)c1C 72306550 PLTIAKKRTYMTRV-XMMPIXPASA-N 427.552 5.397 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 79479419 SIUUGSKADPXMTD-XMMPIXPASA-N 447.579 5.326 0 40 IKAB Cc1cc2oc(=O)cc(CN(C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)c2cc1C 95357434 FOVYAIOYDGIAEN-UHFFFAOYSA-N 449.982 5.557 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@@H](c4ccco4)C3=C(O)C2)cc1 100429418 UWZCCBFSICZUSI-QYBDOPJKSA-N 428.488 5.858 0 40 IKAB O=C(Nc1ccc(Oc2ccc(-c3ccccc3)cc2)cc1)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 102102561 JTXSKGZAHCUCJH-XJTSNBOBSA-N 425.484 5.282 0 40 IKAB COC(=O)c1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(OC)cc4)CC3=Nc3onc(C)c32)cc1 102734305 VACQXHYEZVDZLT-FDDCHVKYSA-N 444.487 5.386 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220434648 LXQZCXFSYWLWRJ-CQSZACIVSA-N 443.396 5.129 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695277 JIRJLRNHDDZFSX-GOSISDBHSA-N 443.396 5.102 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222487770 FMMVSTRAEILBHQ-RUZDIDTESA-N 436.640 5.557 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 222606425 AXFQEUWMAAGTIE-ARBPTSGCSA-N 438.021 6.476 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 222630024 BYRAPEAMPMXCSZ-SVIJTADQSA-N 440.366 5.693 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)cn1 223988614 BNYIRJQUWANMII-GOSISDBHSA-N 443.060 5.912 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)NC2CCCC2)cc1 224400621 QCVXHLYOHHPTCV-RUZDIDTESA-N 438.587 5.187 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(Cl)cc1 224505084 MRLJFZPKDBCXSQ-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccc(OC)cc1 224603869 VWWLHPWOAUFYSQ-UHFFFAOYSA-N 433.548 6.050 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225299655 RIIFVZDNCVWLDZ-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225548037 MXEZUGLFQWWKHI-OAQYLSRUSA-N 438.587 5.920 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225609668 ATPIANDWNOMYDB-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@]5(CN(C)C6(CCN(C)CC6)O5)[C@@]4(C)CC[C@H]32)C1 253500186 YKZPJVAZIXEHHB-OPTSDNATSA-N 442.688 5.087 0 40 IKAB biogenic CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C(C)C)c3ccccc23)C1 257206089 BBUQVGSCWZCUKA-GOSISDBHSA-N 431.605 5.786 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc2ccccc12 408608030 MAWBZTKMYSJRNA-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@H]12 408620382 IOAXOXSRBSARRE-CCQQUTMYSA-N 434.322 5.564 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c(C)c1 408668214 VUKOSAZWBNULNH-FPMFRTRJSA-N 448.349 5.401 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1nc(-c2ccccc2)n(-c2ccccc2)n1 408693783 DLMGZSQOELVYKY-UHFFFAOYSA-N 432.483 5.979 0 40 IKAB COC(=O)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408811361 NNAQWTJHEAPSGC-FUZNGBCKSA-N 435.569 5.527 0 40 IKAB COc1ccc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OCc1ccccc1 409121937 ZGQMXDDXKGCJHF-UDWIEESQSA-N 434.879 5.025 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1CC1CCCCC1 409130560 WKLGRGGNMGVWLR-XDHOZWIPSA-N 435.467 6.582 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 409175213 XTLWQKFFMNRNNI-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409200866 JVPVADMVFJNZTE-YBFXNURJSA-N 430.312 6.803 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc1Br 409210471 KJATVDNLZSEEMB-CXUHLZMHSA-N 438.730 5.742 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3ccc(N4C[C@@H](C)O[C@H](C)C4)cc3)c2C)cc1 643551960 VFBDBWDWHILOFY-RTBURBONSA-N 430.548 5.537 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(Cc3ccc(F)cc3)n2)C1 1848355090 UOJONOIWUTVBBM-FQEVSTJZSA-N 427.523 5.242 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037846421 QYDCJFYBPKGEHG-QGZVFWFLSA-N 437.902 5.559 0 40 IKAB COc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 884772 OLGKBQDLLADULU-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cc(F)ccc1F 901605 FBNCESHEAOTETA-UHFFFAOYSA-N 431.411 5.233 0 40 IKAB O=C(CSc1nc2ccccc2cc1Cc1ccccc1)Nc1ccc2c(c1)OCCO2 1339865 RTAHSNNJEGGGKM-UHFFFAOYSA-N 442.540 5.328 0 40 IKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CCC5)sc4C)ccc32)c1 1355771 GVLMCOXWCGFNTE-UHFFFAOYSA-N 431.561 5.368 0 40 IKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccccc3Br)c2c1C 1377376 CAHSPEQJUBIQHW-UHFFFAOYSA-N 448.411 5.679 0 40 IKAB CCOC(=O)c1oc2cc(OCc3ccccc3)ccc2c(=O)c1-c1ccc(OC)cc1 1463838 XGUBBWGQGYDOTG-UHFFFAOYSA-N 430.456 5.224 0 40 IKAB CC[C@H](C)[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)N1C(=O)c2ccccc2C1=O 1770326 XAMFYUOXIXGUBS-APPDUMDISA-N 438.833 5.008 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1830486 FUXYTBSNDIFMOG-UHFFFAOYSA-N 428.623 5.889 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 1897313 PGYDMCASXVERJN-HNNXBMFYSA-N 428.561 6.016 0 40 IKAB CC(C)Oc1ccccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1902202 ZGYJXVLFMRHBPR-UHFFFAOYSA-N 434.923 5.583 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)nc2ccccc12 2105172 LXYJFZAMQXBEAR-UHFFFAOYSA-N 426.825 6.826 0 40 IKAB CC(C)[C@]1(CCN(Cc2ccc3c(c2)OCO3)C(=O)c2ccco2)CCOC(C)(C)C1 2152495 QCSPUPYGJQOHOW-RUZDIDTESA-N 427.541 5.272 0 40 IKAB biogenic CCOc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2F)cc1O 2217086 IUGINDNKDJYMII-UHFFFAOYSA-N 447.466 5.341 0 40 IKAB biogenic Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccn2)cc1 2364641 LSOZEPRODUAMFF-UHFFFAOYSA-N 427.360 6.237 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccccc1-c1ccccc1OC(=O)/C=C/c1ccccc1 2369585 PBZJHTZDWHOFPD-FLFKKZLDSA-N 446.502 6.591 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2Cl)o1 2394437 XACDBPSLESOHMY-SFHVURJKSA-N 445.972 5.824 0 40 IKAB Cc1cccc(-n2nc(C)c3c(C(=O)N4C[C@H](C)O[C@@H](C)C4)cc(-c4cccs4)nc32)c1 2622160 WHAZCILUGAUQET-IRXDYDNUSA-N 446.576 5.015 0 40 IKAB O=C(Nc1nc2ccc(F)cc2s1)c1oc2ccccc2c1CSCc1ccccc1 2656826 BYCZNGCAKDENOO-UHFFFAOYSA-N 448.544 6.867 0 40 IKAB COc1cccc(CSc2nnc(-c3ccc(OC)c(OC)c3)n2C2CCCCC2)c1 3379072 NXXGEMHRRPSXQQ-UHFFFAOYSA-N 439.581 5.768 0 40 IKAB COc1ccccc1-n1c(SCC(=O)c2c(C)cc(C)cc2C)nc2ccccc2c1=O 3440777 MHGRGBYZOBVPBZ-UHFFFAOYSA-N 444.556 5.295 0 40 IKAB C/C=C\c1ccc(OCCOC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(OC)c1 5208545 SKTQSHDZMDDWHT-ARJAWSKDSA-N 429.822 6.028 0 40 IKAB COc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1 8590046 KJXSRBIKOBPHJZ-UHFFFAOYSA-N 448.242 5.853 0 40 IKAB CCOc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2cccc(C)c2)cc1 8654009 HLUUEMNCFIDELC-UHFFFAOYSA-N 441.560 5.810 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)COc2ccc4ccccc4c2)CSC3)cc1C 8882808 DILBUAWXVHTXDE-UHFFFAOYSA-N 429.545 5.407 0 40 IKAB COc1ccc(N2C(=O)[C@@H](CSc3ccc(C(C)(C)C)cc3)[C@H]2c2ccccc2)cc1 8888279 PXQZVWQDPVVHKV-LOSJGSFVSA-N 431.601 6.489 0 40 IKAB Cc1ccc2nc(Cl)c([C@H]3CC(c4cccs4)=NN3C(=O)c3cccs3)cc2c1 9075322 YUIOHYBZNMRMFV-GOSISDBHSA-N 437.977 6.311 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 9234268 DZSYBWLZCNYYNT-FCRSDJTPSA-N 425.370 6.207 0 40 IKAB COc1ccccc1C(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 9372999 ZPFZAIREUYLKKL-UHFFFAOYSA-N 426.350 5.398 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-c2cccs2)nc2ccccc12 9404680 LLDBNZINYCEODR-UHFFFAOYSA-N 447.519 7.024 0 40 IKAB O=C(CSc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(C2CCCCC2)cc1 9413053 OVAVFUYKHKUIJT-QFIPXVFZSA-N 436.533 5.605 0 40 IKAB CC1(C)N=C(SCC(=O)Nc2ccc(Cl)c(Cl)c2)C(c2ccc(Cl)cc2)=N1 9599166 UNRKNUOTFIEDSE-UHFFFAOYSA-N 440.783 5.956 0 40 IKAB Cc1sc2nc([C@@H](C)Sc3nnc(-c4ccco4)n3-c3ccccc3)[nH]c(=O)c2c1C 9635509 LSRCGLWWHYANHH-CQSZACIVSA-N 449.561 5.295 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2)cc1 9906467 SHUPDUGFZBTYTL-UHFFFAOYSA-N 430.533 5.314 0 40 IKAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059216 OIBVCGZNTJQPJU-PMERELPUSA-N 449.550 5.800 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1ccccc1SCc1ccccc1 10433847 RETJMXAUIVNGPO-UHFFFAOYSA-N 428.022 6.296 0 40 IKAB Oc1cc(OCc2ccccc2)ccc1-c1ncncc1-c1ccc(Br)cc1 11866388 DSSDOIHKWUVMFV-UHFFFAOYSA-N 433.305 5.858 0 40 IKAB biogenic COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 12195597 IYMXEFRARXEVOL-FYYLOGMGSA-N 426.850 5.869 0 40 IKAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1cccc2ccccc12 12623260 CUGDPVBYWUYCEZ-AWEZNQCLSA-N 430.335 5.044 0 40 IKAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 12773890 VRWNQBTZKXLNGE-GFCCVEGCSA-N 444.347 5.242 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3F)C2)c2ccccc12 12797101 HRNKJOSWCHMQCW-HNNXBMFYSA-N 440.902 5.132 0 40 IKAB COc1ccc(C(=O)Oc2cc(-c3ccc(SC)cc3)cc(=O)c3c(C)oc(C)c23)cc1 12890336 YNARPLCRSZXEPW-UHFFFAOYSA-N 446.524 6.027 0 40 IKAB biogenic Cc1cc(Cl)ccc1OCc1nn(CN2CCC(C)CC2)c(=S)n1C1CCCCC1 13071518 DVLWWYRVKGWFFN-UHFFFAOYSA-N 449.064 6.150 0 40 IKAB CCn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1cccs1 13098836 IFLCFIBDDYUZDC-QFIPXVFZSA-N 444.585 6.224 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C)ccc3C)[C@@H]2c2ccccc2)cc1 13117269 ZPRXWVXLPPKHKF-OZXSUGGESA-N 428.532 5.435 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)Nc1cccc2ccccc12 13425245 FSNCWSHFIGNFFE-UHFFFAOYSA-N 439.462 6.046 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)c(Cl)c1 15500115 QIIILHNCSPBGKW-UHFFFAOYSA-N 429.973 5.135 0 40 IKAB CSc1nsc(SCSc2c(Cl)c(Cl)nc(Cl)c2Cl)n1 16248837 VQDNHPJTWXOTEA-UHFFFAOYSA-N 425.240 6.111 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(Cl)cc1Cl 16284452 CVFQJGLZSSGIMR-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 16884244 UQFDMUXYOONNOJ-HXUWFJFHSA-N 430.548 5.210 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(Cl)cc1 16977337 BXBICJHTZJKCDQ-UHFFFAOYSA-N 441.959 6.304 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)C12CC3CC(CC(C3)C1)C2 17095495 MKPAGWIGANGABR-UHFFFAOYSA-N 427.541 5.886 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(F)c(Cl)c2)n1 19525576 DHAMWNMNZAVIGB-NRFANRHFSA-N 438.934 5.651 0 40 IKAB COc1ccc(SCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OC 20043180 IMXMUKMTSDSBLW-UHFFFAOYSA-N 437.605 5.902 0 40 IKAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc2ccccc12 20152230 WWKRXZAKUPVLNY-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cc(Cl)ccc2C)cc1 22277593 OUKROAVMTBHNKV-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccccc1[C@H](c1ccccc1)N1CCN(C(=O)c2oc3ccc(F)cc3c2C)CC1 27985629 IEKGRWBDUGRSJB-SANMLTNESA-N 442.534 5.736 0 40 IKAB CC(=O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@H]12 32062349 RCXANGLYPFOYKX-XJJQXQETSA-N 428.701 7.038 0 40 IKAB biogenic COc1ccc(OCC(=O)Nc2ccccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623576 KDVQGEKJBDLNMX-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC(=O)Nc1ccc(OC(=O)[C@@](C)(Cc2nc3ccccc3s2)c2ccccc2)cc1 32747484 FFUVETGRCOLSJX-VWLOTQADSA-N 430.529 5.361 0 40 IKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 32836182 RGQOVZZKTQFIKW-HNNXBMFYSA-N 429.998 5.104 0 40 IKAB COc1cc(C(=S)N2CCC(C)CC2)c(Br)cc1OCc1ccc(C)cc1 33662710 FOQUGUYLFMBUPO-UHFFFAOYSA-N 448.426 5.753 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3cccc(-c4ccno4)c3)cc(-c3ccc(C)cc3)nc21 36616002 YATFLAFMWCSPIM-UHFFFAOYSA-N 437.503 5.642 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 44086517 FTINFFFQKVASJN-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Nc1c(Cl)cc(NC(=O)COc2ccc(C3SCCCS3)cc2)cc1Cl 58377979 AJHJWSGTKLLMDC-UHFFFAOYSA-N 429.394 5.462 0 40 IKAB CC(=O)Nc1ccc(Cl)cc1NC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 58718711 XCWBQXGTPZPALK-UHFFFAOYSA-N 427.835 5.488 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cccc(C(F)(F)F)c1 63110742 IODLPFHXQAFFKP-UHFFFAOYSA-N 439.481 5.280 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 67216877 SBLQHZHDEYZPHS-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB CC[C@@H](CC(=O)N1CCC[C@@H](CNC(=O)C[C@@H](CC)c2ccccc2)C1)c1ccccc1 79022865 MCDFXZLRMOZUSM-VXNXHJTFSA-N 434.624 5.509 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccccc1Oc1ccccc1 102190537 CQNJLONEAYXFKQ-RDNZODCXSA-N 440.381 6.541 0 40 IKAB FC(F)(F)c1nc2n(n1)[C@@H](c1ccc(Cl)c(Cl)c1)C=C(c1ccc(Cl)cc1)N2 102235866 NFVCQOUPKKJLKW-OAHLLOKOSA-N 445.659 6.313 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1OC 102731731 CYLUTXFFSVLOFB-MWTRTKDXSA-N 432.476 5.314 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)NCCSCc1ccccc1Cl 218852973 ZNNRXPQBCLQFHG-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222771589 LMNBLBRWVABVNA-VXKWHMMOSA-N 425.001 5.443 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222935013 AULNSWPJKUXRNF-JWQCQUIFSA-N 426.589 5.654 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223135114 GMALWTLYVIZDSF-OAQYLSRUSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223135212 HNCUZWPLZHJGPH-NRFANRHFSA-N 447.044 5.295 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccco1 223361350 GHCQNKGNBOXQNI-FCHUYYIVSA-N 435.936 5.761 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223429330 KMFZVCMTABYWIA-KCWPFWIISA-N 442.603 5.092 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223631856 TWXQHGIURFKLMP-UXHICEINSA-N 448.375 5.003 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224174970 YMHSGIJYGGMHQJ-RPBOFIJWSA-N 439.588 5.115 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 224431209 DFIPRDWIYLBOEJ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cc(C)cc(C)c1C 224612617 CCRZKALOIXLRNB-UHFFFAOYSA-N 431.532 6.044 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)nc1 224891789 LGZIIRGYTMAENK-RPWUZVMVSA-N 443.551 5.200 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cc(C)cc(C)c1 225066968 DNHXXHKFDYQRMW-SANMLTNESA-N 434.624 5.411 0 40 IKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225361165 MCGMTHSKFJYOHZ-UHFFFAOYSA-N 438.687 6.507 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 225612331 SRCURNGNARYWMC-KNQAVFIVSA-N 445.003 5.058 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 226348925 GSKCVZYUHQNIIF-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB Cc1ccc2c(-c3ccccc3)cc(-c3c(O)nc4ccccc4c3-c3ccccc3)nc2c1 226804772 SXSUADYXBUTOGA-UHFFFAOYSA-N 438.530 7.798 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C\c3cccc(Br)c3)C[C@H]12 253497505 NKLBOHZLKULONG-PXTVHHIQSA-N 443.469 7.236 0 40 IKAB biogenic O=C(Nc1ccc(Cl)cc1)[C@H]1[C@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253564168 GFEAYCMOOINTDC-NEWJYFPISA-N 431.919 5.733 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccccc3Cl)n2)cc1OC 408545772 ABVNGXYUCYDSFQ-UHFFFAOYSA-N 440.874 6.125 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 408552470 ISZWACLBJNWNQZ-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 408555679 HXOJJVZBPNCNQR-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3cccc4ccccc34)cc2)N1c1ccc(Cl)cc1 408557353 MXDLCZKTIYEURI-SANMLTNESA-N 445.971 6.851 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)nn12 408572251 HOQUVZNDNDSHCQ-UHFFFAOYSA-N 435.896 5.327 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 408818584 XHSCPYMUNALICH-SBTPHQKMSA-N 433.641 7.038 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccc(F)cc1 409012697 LEBFVYSYUHQDGE-NWGMWSOJSA-N 429.513 5.638 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccccc1 409118675 PBORJDLBVUZMHP-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1 409118898 OWMGSOGPSSYNSI-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2)N1CCc2ccccc2C1 409175002 XPDMLDQNBLGULJ-XIFCMFAJSA-N 434.583 6.182 0 40 IKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2c(F)cccc2Cl)N1c1ccccc1 409327576 KWQGVVGOVTXJAM-SANMLTNESA-N 442.921 6.845 0 40 IKAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc([S@](C)=O)cc1 535955490 WIHSKDBRAQKUCX-JGVYIQDASA-N 431.479 5.601 0 40 IKAB Cc1cc(C)c2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cn1nc(C)cc1C 887820 NIFISNVVKBQDDV-UHFFFAOYSA-N 429.636 5.918 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 1098809 RIBBEKPEQIYXNX-UHFFFAOYSA-N 445.744 6.247 0 40 IKAB Cc1cc(C(F)(F)F)n(-c2nc(C(=O)Nc3ccccc3Oc3ccccc3)cs2)n1 1402124 JLGLDXXVJHTSRB-UHFFFAOYSA-N 444.438 5.701 0 40 IKAB FC(F)(F)c1cccc(N2Cc3cc4c(cc3C2)CN(c2cccc(C(F)(F)F)c2)C4)c1 2076310 IJFYOPUVIVVZSO-UHFFFAOYSA-N 448.410 6.765 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccccc3Cl)c3c(C)oc(C)c3c(=O)c2)cc1 2097034 LHDKQGZBUJVNMD-UHFFFAOYSA-N 448.902 6.348 0 40 IKAB biogenic Cc1cc(C)nc(S[C@@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 2232497 FBSDGWKMSGQFEF-DHIUTWEWSA-N 447.585 5.113 0 40 IKAB O=C(NC(=S)Nc1ccccc1Br)c1sc2cc(F)ccc2c1Cl 2649079 NWZDLISEVHBGOG-UHFFFAOYSA-N 443.750 5.583 0 40 IKAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2655992 KFFMFQWDGYEBKX-SFHVURJKSA-N 436.625 5.547 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 2689782 BVNVLVVIKXHZQY-UHFFFAOYSA-N 441.462 5.170 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)c(C)c1 2969423 XRVIVLBTCXGIQA-UHFFFAOYSA-N 439.544 5.292 0 40 IKAB CCN(C(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cccc2ccccc12 3216021 SXZNSZHMXDFZIA-UHFFFAOYSA-N 445.603 6.645 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1c2ccccc2Sc2ccccc21 3221383 KUWRSUYYVDYIIY-UHFFFAOYSA-N 428.376 6.371 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 3865096 ZCJKFYHNWQJUCU-VAXLJGHUSA-N 430.529 5.220 0 40 IKAB CC(=O)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 8743716 VKVGQGZCUFWATF-SANMLTNESA-N 437.543 5.236 0 40 IKAB CC[C@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1Cc1ccccc1)N(C)C 8751660 LUPVQUUBYMSFSW-LJQANCHMSA-N 434.565 5.060 0 40 IKAB Clc1ccc(COc2cccc3ccc(N4CCC(Cc5ccccc5)CC4)nc23)cc1 8769532 ZUIFKKUHOGONHO-UHFFFAOYSA-N 442.990 6.926 0 40 IKAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 8973584 BKBXQBXAIBDESK-UHFFFAOYSA-N 444.487 5.639 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc(Oc3ccccc3)cc2)C1 9144514 HFKGOJRFXHNEIA-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 9183521 CFNNBDMQWZZTNH-VQCMOUQHSA-N 449.616 8.161 0 40 IKAB C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(Cl)c1)c1ccccc1 9335558 BSCUXQPXYKSCIZ-INIZCTEOSA-N 449.963 5.009 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 9374858 WJBQYTTXMCSWRD-NRFANRHFSA-N 431.879 5.481 0 40 IKAB Cc1ccc(NC(=O)COC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)c(C)c1 9391311 DNXDWPMSQCPYER-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB Cc1ccccc1COc1ccc(-c2n[nH]cc2-c2ccc(Br)cc2)c(O)c1 9409852 CTLAXXNXXHMTMZ-UHFFFAOYSA-N 435.321 6.099 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC 9409912 GODUUNVMCQHWDN-UHFFFAOYSA-N 431.488 5.927 0 40 IKAB biogenic COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2)cc1OC 9427673 AIGLBCNORAMSQV-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB Cc1nn(Cc2ccccc2)c2c1[C@@H](c1ccc(Br)cc1)SCC(O)=N2 9498547 SCDIEBCNBUCDOC-LJQANCHMSA-N 428.355 5.427 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9581018 RRBBCLSCEJCXEM-HXUWFJFHSA-N 448.935 5.346 0 40 IKAB C[C@@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1 9584733 RARRIEZIAIABMK-SNVBAGLBSA-N 442.418 6.089 0 40 IKAB O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 9599531 OZDRWPBUZOWZBL-UHFFFAOYSA-N 448.569 5.280 0 40 IKAB CCC[C@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 10315455 FCSJJEJGTDIWSH-VWLOTQADSA-N 437.414 7.627 0 40 IKAB C[C@@H](c1nnc(SCc2cccc(F)c2F)n1-c1ccc(F)cc1)N1CCCCC1 11416121 HUQWWRKMBACIJN-HNNXBMFYSA-N 432.515 5.524 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 12196649 UHWXIHJLBMOMJH-ZEQKJWHPSA-N 446.572 6.058 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)Cc3ccccc3F)cc2)n1 12220534 CLJKNDCMURKFCH-UHFFFAOYSA-N 440.522 5.327 0 40 IKAB Brc1ccc(-c2ccc([C@@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 12523843 FUTDCNDCDKCAEB-XMMPIXPASA-N 442.316 6.698 0 40 IKAB CCOc1cc([C@H]2NC[C@H](c3ccc(OC)cc3)c3c2[nH]c2ccccc32)ccc1OC 12683095 WGCZLEVZAYUPRK-QFQXNSOFSA-N 428.532 5.408 0 40 IKAB O=C(CN1CCc2sccc2[C@@H]1c1ccccc1)Nc1ccccc1Br 12762913 WJLHOURFDAUDQC-NRFANRHFSA-N 427.367 5.097 0 40 IKAB C[C@H](NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1Cl 12812597 AMSZUQOLGKQZIF-INIZCTEOSA-N 449.967 5.099 0 40 IKAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 13026795 RWQPZSWFGHLJCV-VWLOTQADSA-N 448.538 5.424 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 13129066 YIXPQFOPCLBCLE-UHFFFAOYSA-N 446.117 5.097 0 40 IKAB COc1ccc(-c2nc(/N=c3\cc(-c4cccs4)oc4ccccc34)sc2C)cc1 13693826 XYBGZFUJFXLYMG-NCELDCMTSA-N 430.554 6.834 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)cc1Cl 14245121 KUANRKZEUKPKHT-LJQANCHMSA-N 439.924 6.072 0 40 IKAB COc1cccc(CNC[C@@H](O)c2ccccc2)c1OCc1ccc(Cl)cc1Cl 16228236 DDSJKSACDUPIRZ-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB c1ccc([C@@H]2N[C@@H](c3ccccc3)[C@@H](c3ccco3)C23c2ccccc2-c2ccccc23)cc1 16478161 DDHXGJCURYWKBG-AYQJTBPPSA-N 439.558 7.416 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc([C@@H](C)CC)cc3)cc2s1 17094536 CTJDBIMBQDRPQD-HNNXBMFYSA-N 425.554 5.566 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2C(F)(F)F)c1Cl 17095107 BIKRTLLKQAPKOA-UHFFFAOYSA-N 426.649 6.300 0 40 IKAB CCOc1ccc(C(=S)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC 19842711 FKTMKGRUWZXCMZ-UHFFFAOYSA-N 446.616 5.177 0 40 IKAB CC(C)C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 20482267 DZDWJNVEAZRVEJ-HSZRJFAPSA-N 436.577 5.029 0 40 IKAB CCOC(=O)c1c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)sc(C(=O)CC)c1C 20572793 NGVLHEYEMADCFY-ZDUSSCGKSA-N 446.569 5.217 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@H](C)CC)cc4)cc3n2)cc1 20610310 BRLSRCNEOHPGHN-QGZVFWFLSA-N 430.508 5.249 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cc(C)ccc4C)ccc32)cc1 20765996 MWVNNLDGYVRMEK-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB Cc1ccc(NCc2cc3ccc(C)cc3n(CC(=O)Nc3ccc(Cl)cc3)c2=O)cc1 20940178 VTBDQDZZXFRHSG-UHFFFAOYSA-N 445.950 5.523 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccccc2OC)cc1 20970147 PSFWTXDCQIZJDP-RUZDIDTESA-N 438.531 5.535 0 40 IKAB CCOc1ccc(C(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)cc1OC 25469087 XWBQGENIMXSFES-SFHVURJKSA-N 432.520 5.179 0 40 IKAB CCCCOc1ccccc1C(=O)NC[C@@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 28293072 JXHGUTMLPDRNII-VWLOTQADSA-N 436.640 6.120 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc(-c2ccco2)no1 29738686 SUWAQNRVEDLLDA-CQSZACIVSA-N 441.582 5.932 0 40 IKAB C[C@H](OC(=O)c1ccccc1SC[C@@H]1CCCO1)c1nc2ccccc2n1C(F)F 39983226 QEJGMEQMOGEMML-GJZGRUSLSA-N 432.492 5.621 0 40 IKAB CCn1nc(C)c2nc(SCc3ccccc3F)n(Cc3ccc(Cl)cc3)c(=O)c21 64817204 ONZXFXMRSRTXLQ-UHFFFAOYSA-N 442.947 5.054 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC=C(I)[C@@]4(C)CC[C@@H]32)C1 82048842 OFYWDQNTPMUZEH-ZKHIMWLXSA-N 440.365 5.810 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 100738885 TYBUWUAOJFXJMM-TYKWCNGQSA-N 446.570 5.434 0 40 IKAB COc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Br)cc1)C(C)(C)N2 101459620 VCBICTRYHUUVMK-DYTRJAOYSA-N 433.396 6.141 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1c[nH]c2ccccc12 102003816 WKUMSRDHBIETNG-HHHXNRCGSA-N 441.575 7.007 0 40 IKAB O=C(O)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 107776082 FEYWTFXMGIAHCS-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB COc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC 218990955 HRFVJJCMOXUWFO-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 219423688 FEXYSHQSDLWIND-UHFFFAOYSA-N 430.995 5.564 0 40 IKAB O=C(NCCCN1CCCc2ccccc21)c1cc(Cl)ccc1OCc1ccccc1 219776032 PMLCDMUNLUPYIP-UHFFFAOYSA-N 434.967 5.492 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 222659523 ZJMKCJZYNOGYOW-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222714452 QETQPKRNXQGNAO-SFHVURJKSA-N 447.044 5.214 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl 222842153 BAZYPMBCJJNSQP-ZDUSSCGKSA-N 432.800 5.772 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 223144971 BMGAUOWXTPNPSL-IBGZPJMESA-N 447.044 5.215 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(C)c1C 223413665 DLCNNTGIWHKCCP-UHFFFAOYSA-N 425.594 5.581 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223904612 RGEONJKIYUGPHT-RPBOFIJWSA-N 439.588 5.115 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 224197055 OXMPMCGAYMYLDI-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)c1 224295487 WHFACYPAKDJCNT-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cc(C)cc(C)c3)c2)cc1 224340061 KMZWBVGSORABRR-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 224485570 KBPIIAFIBROBQC-FQEVSTJZSA-N 441.593 5.479 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)c1C 224744710 NQNKURWBRPRINJ-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB C[C@H](CCc1ccccc1)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225515266 NTLWUSKDHBIBMP-HXUWFJFHSA-N 444.644 6.523 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCCCC4)cc3)CCCCC2)c1 225539991 PRGLQHMVYFRJQA-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225582234 DCFJEYSKTKJLOD-WXVAWEFUSA-N 444.619 5.803 0 40 IKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253572751 QOGRGOCYMYDUNM-GCKMJXCFSA-N 434.971 5.924 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257216248 CTRYMGYNJGPPLA-LJQANCHMSA-N 429.973 5.288 0 40 IKAB C[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1ccc(Cl)cc1C(=O)O 257246281 ITKXYCXNQFELCP-MRXNPFEDSA-N 441.886 5.346 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 257312177 UMTUQZFOPSXIFA-JOCHJYFZSA-N 440.522 5.152 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](C1)c1c(ccc(C(=O)N[C@H]3CCN(Cc4ccccc4)C3)c1O)OC2(C)C 257323740 WLQIVKBCVXNHKR-MBWHEUGSSA-N 448.607 5.087 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)c1ccccc1C 408558312 QLPGOEPWQPGEAD-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc(C)c1Br 408639400 FZMDGYKALAQVHO-QGZVFWFLSA-N 437.337 5.211 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647798 XLYDVJFLQFVHNY-HXUWFJFHSA-N 444.531 5.486 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 408698282 OQIJLWJVVLBBDP-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408923929 IGBQJEFYLGPSDU-HNNXBMFYSA-N 446.981 5.260 0 40 IKAB CCCc1sc2nc(SCc3cccc(C)c3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409110716 YBTUHKKUFBNMNO-UHFFFAOYSA-N 448.657 6.926 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccc(F)cc2)cc1 409132886 RWDJYQCSPRMOLE-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB O=C(O)c1ccccc1[C@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 409342922 FKQZQBGIIGKHTL-SANMLTNESA-N 434.495 5.751 0 40 IKAB Cc1cc2c(cc1-c1ccnc(Nc3ccc(Cl)cc3Cl)n1)[C@H](C)CC(C)(C)N2 575473214 NPGWTKWXBVPPQX-CQSZACIVSA-N 427.379 7.200 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 1547212313 AYBBUNORLTWYBV-AURQIJJISA-N 443.441 5.697 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CCCC2 728721 ZEAPMCIVKLRWAE-UHFFFAOYSA-N 428.337 5.128 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCC1 874477 PXJRBRHJUOXLTN-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB COc1ccc(CNc2c3c(nc4cc(-c5cccc(F)c5)nn24)CCCC3)cc1OC 1341676 PLPKIPJLMGTVJI-UHFFFAOYSA-N 432.499 5.044 0 40 IKAB CC(C)(C)c1cc(NC(=O)c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)no1 1516046 ZIYHTLAXNKHLGA-UHFFFAOYSA-N 435.431 5.014 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)OCc4ccccc4Cl)c23)C1 1778551 QIYPBDGZBPLTQB-QWHCGFSZSA-N 432.998 5.694 0 40 IKAB Cc1ccc2c(c1)N(C(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ssc(=S)c1-2 1785786 CLSJGKOMDAFXQK-UHFFFAOYSA-N 439.671 7.708 0 40 IKAB CC(=O)N(Cc1cccc(Br)c1)c1cccc(-c2nc3ccccc3s2)c1 2138555 SIVARCITXUUOHP-UHFFFAOYSA-N 437.362 6.279 0 40 IKAB COc1ccc([C@@H]2C(CC(=O)O)=C(Nc3ccc(C)cc3)C(=O)N2c2ccc(C)cc2)cc1 2202088 QWJPYONHZOMBJK-AREMUKBSSA-N 442.515 5.241 0 40 IKAB CCOc1ccc(-n2c(N)c(C(=O)Nc3cccc(C)c3)c3nc4ccccc4nc32)cc1 2252517 QTBVJPNCVIEEQK-UHFFFAOYSA-N 437.503 5.115 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Br)c2)N1Cc1ccccc1 2398965 WRPDOWBPGXJRMC-OAQYLSRUSA-N 446.300 5.301 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2Cl)cc1 2444778 AWKSLFBACNRNDL-UHFFFAOYSA-N 449.963 5.961 0 40 IKAB Cc1ccc(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c(C)c1 2722264 JIUPVZJRZCZGSE-UHFFFAOYSA-N 446.572 5.027 0 40 IKAB Cc1ccccc1-n1c(S)nnc1-c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F 2791089 WOUVXPUBOWHFTO-FUHWJXTLSA-N 438.507 5.091 0 40 IKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 3235046 UXWSWCFDFDSZMC-RUZDIDTESA-N 439.386 7.520 0 40 IKAB O=C(c1ccco1)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 3243506 OIGYVLHMWHMCMK-FQEVSTJZSA-N 441.483 5.261 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1c(C)cc(C)cc1C 3254734 JADRIXKITSDCMI-UHFFFAOYSA-N 441.549 5.391 0 40 IKAB O=C(CSc1ccc2c3c(cccc13)CC2)Nc1ccc(OCc2ccccc2)cc1 3335627 CWSRWARYVHSUEB-UHFFFAOYSA-N 425.553 6.248 0 40 IKAB CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccc(C)cc2)cc1 3534175 RZBJQBXZCXWDPW-UHFFFAOYSA-N 428.557 5.291 0 40 IKAB Cc1ccc(NC(=O)NC[C@]2(C)C[C@H](NC(=O)Nc3ccc(C)cc3)CC(C)(C)C2)cc1 5085424 CSPTYTLNTZSUIM-ATIYNZHBSA-N 436.600 5.832 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](c1ccsc1)N1CCCCCC1 8863175 KFDDKRFTGQOBPE-SFHVURJKSA-N 427.397 5.167 0 40 IKAB Clc1ccc(-c2nnnn2-c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 8888113 GXIYMJBSJKKFDY-UHFFFAOYSA-N 431.710 5.869 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 8909654 JMIJARGEACCSAX-UHFFFAOYSA-N 443.547 5.919 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc(Cl)c(O)c(OC)c2)N3)C1 8920827 ZFTYTBXTSCPOKI-BLVKFPJESA-N 434.989 6.086 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)cc1 9184931 JAOYOUSNBVRZMF-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB COc1cccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)c1 9366622 ZCXDHDJRYQTLNL-UHFFFAOYSA-N 425.457 5.110 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1cc(F)ccc1F 9507276 ZNKOQPUOZJTBCA-UHFFFAOYSA-N 425.435 5.445 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9545873 YBKBGOYAIFXNQX-SFHVURJKSA-N 426.545 5.175 0 40 IKAB CCC[C@H](NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 9832161 HEMVGBZDTJYRRQ-YJBOKZPZSA-N 426.611 5.480 0 40 IKAB CCn1c(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)nnc1-c1ccco1 9875703 DWJDJFDRBJDGGK-UHFFFAOYSA-N 440.594 5.256 0 40 IKAB COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cc(C)ccc3C)c2=O)c1 9959554 OJOBTAUCCGAGPY-UHFFFAOYSA-N 442.540 5.041 0 40 IKAB CCc1cc(=O)oc2cc(OCc3csc(N(C(C)=O)c4cccc(C)c4)n3)ccc12 10883294 DOEXIAKDVBFATJ-UHFFFAOYSA-N 434.517 5.384 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCCCC(=O)Nc1cc(Cl)ccc1OC 11612348 GLXRFSAPOCFXRD-UHFFFAOYSA-N 425.312 5.148 0 40 IKAB COc1ccc(NC(=O)CSc2nnc3cc(C)c4cc(C)cc(C)c4n23)cc1Cl 11907905 FEYLJAZHTFUJLO-UHFFFAOYSA-N 440.956 5.201 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 12193354 AEMVLFYCLXAYJK-SHQCIBLASA-N 442.559 6.244 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1 12376982 ATEXJSYRUUMGRA-UHFFFAOYSA-N 430.551 5.881 0 40 IKAB CC(C)(C)c1ccc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)cc1 12566605 VBDRTNFQELGVLM-UHFFFAOYSA-N 431.586 5.781 0 40 IKAB CCOc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 12651876 NMKOCUCKUIWJOQ-UHFFFAOYSA-N 436.519 6.010 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 12942166 DSWMESGZVMJEGL-SFHVURJKSA-N 446.551 5.276 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)NCc3ccc(Cl)cc3Cl)c2n1 13148744 QKORQWDKGIVTQQ-UHFFFAOYSA-N 444.145 5.852 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4[nH]3)c2)c(F)c1F 14272101 DYLYZRBTQOFBFP-UHFFFAOYSA-N 449.791 5.701 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1 14739234 XUQUGKRULVGEPL-OAHLLOKOSA-N 429.611 5.294 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)c1 15390612 QYRFOBCYBOAYSX-NTEUORMPSA-N 441.483 5.641 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)CN3CCCC[C@@H]3C)c2C(=O)Nc2ccccc2F)C1 15946893 WHUDWKMLMXDFHW-HOTGVXAUSA-N 443.588 5.077 0 40 IKAB CCOC(=O)C1=C(NC(=O)c2ccc(-c3ccccc3)cc2)Nc2ccccc2N=C1C 16035328 LUXYGVYKUWZCKM-UHFFFAOYSA-N 425.488 5.076 0 40 IKAB Cc1cc(Br)cc(Br)c1NC(=O)Nc1cccc2ccccc12 16269485 YDSNIRLFMQPASK-UHFFFAOYSA-N 434.131 6.317 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 16322622 JBPVHDDDAAZDML-UHFFFAOYSA-N 436.895 5.953 0 40 IKAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccc(F)cc1 16688522 PKQDVUADVUYZKB-UHFFFAOYSA-N 443.902 5.445 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccco2)c1 16977363 SGPRCMOJJFZZEI-UHFFFAOYSA-N 437.540 5.659 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 17101844 RINHKASSTJALAM-UHFFFAOYSA-N 437.996 5.856 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 17102310 BIPFTYMRDWWAFR-XNTDXEJSSA-N 438.527 6.769 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccccc1Oc1ccccc1 17103044 NHMGRQODAPWLGS-UHFFFAOYSA-N 439.298 7.001 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCN(Cc4ccccn4)C3)n2)c1 19401695 UXUNIZPJHPCJDN-HXUWFJFHSA-N 440.526 5.196 0 40 IKAB COc1ccc2oc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)cc2c1 19563586 NXROEYWNQGJCTI-CYBMUJFWSA-N 443.425 5.356 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)c1 19634511 GVDWGHRVQWBIEB-SJORKVTESA-N 441.549 5.203 0 40 IKAB Cc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 19645320 KIZYPMNWPLJDDS-UHFFFAOYSA-N 446.635 6.305 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 21355456 LSADUFKEXWUMKO-NGOBRMJYSA-N 441.622 5.018 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)c(Cl)c1 22276986 CCZYSAOLQOJNBA-LLVKDONJSA-N 425.262 5.737 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccc(Cl)cc1 24765185 QZPDJADJSCJTTH-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB CCCc1noc(CSc2nnc(-c3cccnc3)n2-c2c(CC)cccc2CC)n1 25047951 PGCHGRWDJJQNGW-UHFFFAOYSA-N 434.569 5.082 0 40 IKAB CN1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CC1 25514993 AVMFCVFHSHMWAI-UHFFFAOYSA-N 434.754 5.250 0 40 IKAB COc1ccc(-c2nc(C(=O)Nc3nc(-c4cccs4)cs3)cs2)cc1OC 27124086 BMQVAADXBFPOIN-UHFFFAOYSA-N 429.548 5.265 0 40 IKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(OC(C)C)cc1 27912653 NERHJSYVAZLMGG-UHFFFAOYSA-N 438.593 6.368 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cccc(Cl)c1Cl 32604049 RBKWXWZZWBDISG-UHFFFAOYSA-N 437.327 5.457 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2cccc(C(C)C)c2)cc1 33141797 DWCDKBGUHLEDMM-UHFFFAOYSA-N 428.579 5.257 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 33634399 WHFXMDAPJLOJQK-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Cc1cccc(Cl)c1Cl 36447059 WXJOTDDSLUHGOZ-UHFFFAOYSA-N 430.360 5.590 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1NC(=S)Nc1ccccc1 39377210 IEYAXCHDLGFOBG-NTCAYCPXSA-N 432.936 5.161 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 40485656 YLJWUIILQTWLQY-QFIPXVFZSA-N 433.891 5.399 0 40 IKAB CCCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)C1 44803734 KATSPWMDYAOCDT-OAHLLOKOSA-N 442.922 5.066 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 59436979 FWISKGKVKNTSKW-UHFFFAOYSA-N 439.481 5.280 0 40 IKAB CSc1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 59457315 GEJKDKLYUARENZ-MHWRWJLKSA-N 435.368 5.277 0 40 IKAB CCc1ccc(NC(=O)C2CCN(c3cc(Oc4ccc(CC)cc4)ncn3)CC2)cc1 71328227 SWHNDWNLQRIQQY-UHFFFAOYSA-N 430.552 5.249 0 40 IKAB FC(F)(F)c1cccc(N2N=N[C@@H]3CCC/C(=C/c4ccccc4)[C@@]32N2CCOCC2)c1 95951056 KFXWBCPFNYJMKN-SGKXDYJRSA-N 442.485 5.557 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118913685 XUGISPSHIFXEHZ-VEEZVJAOSA-N 428.701 7.960 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3ccc(Cl)cc3)ccc2C)cc1 216338214 BMYMTXABHBHZTI-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219959945 DJPGGRCARHLUHW-UHFFFAOYSA-N 436.958 6.186 0 40 IKAB COc1ccc2cc(S(=O)(=O)Nc3cc(Cl)ccc3Oc3ccccc3)ccc2c1 222712396 VLKBTMZVNWQUIY-UHFFFAOYSA-N 439.920 6.095 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222986128 JLHATVNGABATNI-FGZHOGPDSA-N 425.985 6.076 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 223690428 GSIGOUWKTWWKMT-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223699933 OUXWTGMUZPPABP-XMMPIXPASA-N 438.612 5.221 0 40 IKAB Cc1cnc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Br)c1 223914042 MRMRLRZISILBKY-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223915762 XJEOJCKKUOOREW-DNQXCXABSA-N 431.609 5.241 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 223976816 BZKHNKUZJCGHHE-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(Cl)c1 224146856 HMZYRBCNQOJLGG-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)ccc1Cl 224178854 UVWWMINQFLQJRR-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224213760 SWMKEPYDCHNYRE-PKTZIBPZSA-N 445.979 5.406 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 224326213 QWQUSWKEUXJJBH-JOCHJYFZSA-N 445.028 5.298 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C1CC1 224360873 CQMLOLCXICVOJD-LOSJGSFVSA-N 430.621 6.135 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C 224373371 YFRDWTHNRCEEFL-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 224820868 YERWPHVOQRJBSD-IBGZPJMESA-N 442.600 5.174 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225096794 WKILLZBSVMRZTM-NHCUHLMSSA-N 426.626 5.118 0 40 IKAB CC[C@@H](NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1)c1ccc(C)cc1C 225258770 JFNWPDBEWFXEMV-LJQANCHMSA-N 434.627 5.049 0 40 IKAB COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c(OC)c1 225364034 SGWNCEUEJKAHNU-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB Cc1cc(NC(=S)NCCSCc2c(F)cccc2Cl)ccc1Br 225368038 KIJIDMHXGMAUAO-UHFFFAOYSA-N 447.826 5.770 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3F)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 225541307 VUXHLICNPJARGK-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@@H]3C)n2)o1 225915570 KUVMEUCLIJWDMP-INIZCTEOSA-N 437.569 5.036 0 40 IKAB COc1cc(Oc2ccccc2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225982191 NBJUEQJLKKHUQI-UHFFFAOYSA-N 448.592 5.466 0 40 IKAB COc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2c1 226096052 YSAOVUSTGMGRCV-UHFFFAOYSA-N 428.332 5.842 0 40 IKAB O=C(N1CCC(Cc2ccc3ncccc3c2)CC1)C1(Cc2ccccc2)CCOCC1 257305372 SPRRDIQGUMIVQK-UHFFFAOYSA-N 428.576 5.055 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)c1 408571217 AHBAIYAAEUJQDI-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 408572758 IBRYJCSRZLGKNX-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 408574534 RSWFOHVNAIECAS-VQHVLOKHSA-N 448.391 5.004 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 408666202 GSGMQHIFTPXZRP-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1 408697223 GHCGSUMAXLUOMA-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408749526 HJQVAULPRXVDBC-IAGOWNOFSA-N 442.993 5.922 0 40 IKAB O=C(CSCc1ccccc1Br)NCCSCc1cccc(Cl)c1 408875611 KQLLXDYXXGNARP-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3cccs3)n(C)c2-c2ccc(OC)cc2)cc1 409197650 LJAOSIVEINYWPS-VHXPQNKSSA-N 436.558 5.240 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409334307 WSZGBWULFPRQQH-GRSHGNNSSA-N 444.940 5.111 0 40 IKAB COc1ccc(-c2noc([C@@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)(C)C)n2)cc1 585152306 NBFKWNKXNPHVFE-QGZVFWFLSA-N 434.323 5.569 0 40 IKAB COc1ccc(CN2CCOCCOc3ccc(C(C)C)cc3Cc3cccc(c3)C2)cc1 643589609 UMLPKLLUDTXCAZ-UHFFFAOYSA-N 445.603 5.821 0 40 IKAB COc1ccccc1Cc1cc(C(=O)Nc2ccccc2Oc2ccc(F)cc2)ccn1 2037843769 INYFTJIMZGSRPH-UHFFFAOYSA-N 428.463 5.865 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4)c3n2)cc1 848656 MDBONTGFOOWBCO-UHFFFAOYSA-N 430.817 5.629 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc2c(c1)CCC2 901538 LHAUAIQKNZXVPI-UHFFFAOYSA-N 435.496 5.443 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)CSc2nc(C)nc3sc(C)c(C)c23)c1 1333017 WRYAFTRWITXFLH-UHFFFAOYSA-N 431.583 5.145 0 40 IKAB COc1ccc(C(=O)N(Cc2ccc(C)cc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 1359614 CZKKZDDDBVQCRJ-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc5c(c4)OCO5)ncnc32)cc1 1447521 CQTKBKLQUYPFHP-UHFFFAOYSA-N 438.462 5.567 0 40 IKAB CC(C)CCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2272746 GUYVTYBAFGOTLI-UHFFFAOYSA-N 444.644 6.465 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3o2)cc1 2432579 PVENOTGZEPSWMD-UHFFFAOYSA-N 443.355 6.674 0 40 IKAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@H](Cc1ccc(Cl)cc1)C(=O)O 2541552 DTVJLZWXYPPOHJ-HSZRJFAPSA-N 435.907 5.217 0 40 IKAB COc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)cc1 2546361 SAGVWXDNZIIQSR-XMMPIXPASA-N 434.605 6.201 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCC4)ncnc32)cc1 2715045 MRYGNNRJSTWDGQ-UHFFFAOYSA-N 433.353 5.840 0 40 IKAB COc1cc(-c2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)ccc1OC(F)F 2803633 RAXBOQKQYNYIIW-UHFFFAOYSA-N 443.258 6.535 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3274937 RISMVFFYCNKYBO-DEOSSOPVSA-N 427.935 6.000 0 40 IKAB C[C@@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NCCC1=CCCCC1 3322926 NUISGSJGTBHPKS-OAHLLOKOSA-N 439.606 5.139 0 40 IKAB Cc1ccc(Nc2nc(COC(=O)c3oc4c(ccc5ccccc54)c3C)cs2)cc1 3360985 OZHVGQSPJRNMOA-UHFFFAOYSA-N 428.513 6.760 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1 3421339 VRLITNRRSVMNLT-UHFFFAOYSA-N 443.572 5.101 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2cn(C)c3ccccc23)sc2c1CCCC2 3581790 QPYRCUXPTZSFTA-CQSZACIVSA-N 442.606 5.415 0 40 IKAB C[C@@H](CC(=O)NCc1ccco1)CC(=O)Nc1ccc(OCCC2CCCCC2)cc1 4691085 JZXHBPJWASZGTH-IBGZPJMESA-N 426.557 5.300 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 5442564 DYENHGWYSAJCPB-MHZLTWQESA-N 439.640 6.830 0 40 IKAB biogenic C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CCC2=O 5822733 HEWYVIICKQEYPO-HIONPOMWSA-N 428.164 5.342 0 40 IKAB in-vitro CCN(CC)c1ccc2cc(C(=O)Nc3c(C)cc(C)cc3Br)c(=O)oc2c1 6078544 UBAJMXFZKQWKBK-UHFFFAOYSA-N 443.341 5.271 0 40 IKAB c1ccc(-c2ccc(-c3nc(-c4ccccc4)[nH]c3-c3ccc(-c4ccccc4)cc3)cc2)cc1 8408143 FRQYODNGSAORLP-UHFFFAOYSA-N 448.569 8.745 0 40 IKAB CCCS(=O)(=O)c1c(Nc2ccc(CC)cc2)sc(C(=O)c2ccc(F)cc2)c1N 8756728 CKTYEXXOAOZWEJ-UHFFFAOYSA-N 446.569 5.190 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(Cc3cccs3)n2CCc2ccccc2)s1 9219105 XMFYWXGZWAHICS-UHFFFAOYSA-N 439.631 5.518 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccccc2Cl)n1 9250011 NAYVJQWOPDSXQJ-UHFFFAOYSA-N 425.941 5.335 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1nnc(-c2cccs2)o1 9285888 RXIPTFIZZKVCPW-AWEZNQCLSA-N 449.536 6.038 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(F)c(Cl)c1 9320536 FXVIJRQNMFAKAT-UHFFFAOYSA-N 439.917 5.103 0 40 IKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1cccc2ccccc12 9366705 IBFKMXGBSJKRRF-UHFFFAOYSA-N 445.491 6.255 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 9508142 HKKPWDHITBJZTN-UHFFFAOYSA-N 431.536 6.290 0 40 IKAB O=S(=O)(c1ccc(Br)s1)N1CCCC[C@@H]1c1nc2ccccc2s1 9798353 KCKWPUMKVGCHJW-GFCCVEGCSA-N 443.413 5.036 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc12 10187689 JXJFHGXVMJNJBN-UHFFFAOYSA-N 429.954 5.570 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)c1 10328118 CCPNZVKSOLPFHR-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O 10537008 NJQIBGDPGLWNMT-MUUNZHRXSA-N 449.510 5.059 0 40 IKAB O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1cccc(Cl)c1 11758705 XPFBHOXIJSXGTF-UHFFFAOYSA-N 446.903 5.003 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1 12192335 DXNNSHORKDCYCN-AOYPEHQESA-N 445.349 7.389 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)[C@H](C)c4ccccc4)n3)ccc21 12220027 INUGOLXYNDTTCP-GOSISDBHSA-N 447.604 5.512 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)/C=C/c2ccc(F)cc2)c2ccccc21 12285454 GMAKVKDYYPVSJX-QZGYIJBOSA-N 428.507 5.759 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4ccc(Cl)cc4)=Nc4ccccc43)cc2)cc1 12497701 IFLYIQQIGLXSGI-UHFFFAOYSA-N 437.930 6.450 0 40 IKAB CCOC(=O)c1ccc2c(c1)nc(SCc1csc(-c3ccc(C)cc3)n1)n2CC 12635513 UPTLBMHVSDPPKM-UHFFFAOYSA-N 437.590 5.957 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 13080597 DPMNEGULJGOWCD-DFBJGRDBSA-N 439.515 5.824 0 40 IKAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)NCCC1=CCCCC1 13945799 KWZJNPLRFZQTOY-SANMLTNESA-N 427.548 5.110 0 40 IKAB Cn1c(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1ccccc1F 14093075 GZOAGNIZXWDUSD-QHCPKHFHSA-N 442.519 5.819 0 40 IKAB CC(=O)C1=NN(c2ccccc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)c(Cl)c1 16138853 WKHDEPYOONTQRA-QFIPXVFZSA-N 444.749 6.575 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1[C@@H](c1ccccc1)[C@@H]1CCCC=C1N1CCCCC1 16249391 KRZMLUCWKMLMMF-SQHAQQRYSA-N 427.592 6.188 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccccc3OC)c2c1 16977533 PERQTYRAHAWMPA-UHFFFAOYSA-N 449.576 5.528 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 17085922 YYVVLIYYXWRGTF-NTKDMRAZSA-N 446.616 6.332 0 40 IKAB O=Cc1cn(CC(=O)Nc2cccc(Cl)c2Cl)c2ccc(Br)cc12 17094702 IAZGTDQOXJVGRF-UHFFFAOYSA-N 426.097 5.162 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)cc1 17098542 KOBJHHFNXITEEL-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(F)cc(F)cc2s1 17287568 WRZNYSKVIQOGNW-UHFFFAOYSA-N 443.563 5.442 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCCC)c4)cc3n2)cc1 19636717 HSBLITUBZRQAML-UHFFFAOYSA-N 442.563 6.113 0 40 IKAB CCSc1ccccc1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 20044261 XBPDCXVZGURMHZ-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1ccc(CN2CCCc3ccccc32)cc1 20104995 YEJICOSRLJVOAS-UHFFFAOYSA-N 444.884 6.564 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNC2CCCCCCC2)c(Cl)c1 22076329 TZGUQEDGQSJOSO-UHFFFAOYSA-N 426.815 7.428 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255695 AKROUNOHGWXMGA-GGAORHGYSA-N 446.595 5.397 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 22277455 SQRTXRXTRWJATF-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc2nc(COC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc(=O)n2c1 24659462 FUMXADBLRXYOFH-UHFFFAOYSA-N 438.405 5.046 0 40 IKAB O=C(Nc1cc(Cl)cc2cccnc12)c1cnn(-c2ccccc2F)c1C(F)(F)F 24758024 YJSOQVCWOVJKNZ-UHFFFAOYSA-N 434.780 5.484 0 40 IKAB CN(C(=O)Oc1cccc2c(OC(=O)N(C)c3ccccc3)cccc12)c1ccccc1 28629161 IBGXIHLENGCGGQ-UHFFFAOYSA-N 426.472 6.110 0 40 IKAB Cc1ccc(-c2noc(-c3ccc(CS(=O)(=O)Cc4ccccc4Cl)o3)n2)cc1 33268063 GFYFLJLPQYPWJD-UHFFFAOYSA-N 428.897 5.073 0 40 IKAB C=CCOc1cccc(/C=C2/SC(=O)N(Cc3ccc(Br)cc3)C2=O)c1 33397218 UCHDKJIISZBCOC-LDADJPATSA-N 430.323 5.250 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 35832805 HIFMEZWRVWHWBI-XMCHAPAWSA-N 444.457 5.157 0 40 IKAB COc1c(Br)cc(Br)cc1CNc1ccc(Br)cc1 37203548 WYBCWZHVGKONMG-UHFFFAOYSA-N 449.968 5.595 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccccc2n1Cc1ccc(Cl)cc1 41076884 CYOAENAUVKJJQW-UHFFFAOYSA-N 435.980 6.031 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078434 JORCJYGJTTWLPH-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)oc2c3c(ccc2c1=O)OCN(CC(C)C)C3 57173080 OVEXPROPLDWSBK-UHFFFAOYSA-N 433.426 5.295 0 40 IKAB C[C@@H](Nc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 65577404 KYSCZITWDIWJOI-WZONZLPQSA-N 431.561 5.014 0 40 IKAB COc1cc(OC)cc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)c1 67258615 QILULGCPELNSAK-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c(C)c3s2)n1 72228788 YVMWMOWXCKJOIG-UHFFFAOYSA-N 448.592 5.857 0 40 IKAB COc1cc(C(=O)CCNc2ccc(-c3nc4ccccc4s3)cc2)cc(OC)c1OC 72408082 SMLNRQCHTKFEQQ-UHFFFAOYSA-N 448.544 5.674 0 40 IKAB CC(C)c1cccc(C(C)C)c1NS(=O)(=O)c1ccc(C(=O)N2CCCC2)c(F)c1 95466270 AWVBQSKVPMYOOO-UHFFFAOYSA-N 432.561 5.109 0 40 IKAB CC(C)(Oc1ccc([C@H]2CC2(Cl)Cl)cc1)C(=O)NCCCc1nc2ccccc2[nH]1 96118622 VEZOMZNBSOAXHK-QGZVFWFLSA-N 446.378 5.131 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 101095449 WZIMBTFWLNDYII-UHFFFAOYSA-N 441.915 5.844 0 40 IKAB O=C(OC1CCCCC1)c1cccc(N2C(=O)[C@H]3C[C@H](c4ccccc4)CC[C@H]3C2=O)c1 102641584 CMWQHGOOGSLUPK-FOVJLYNBSA-N 431.532 5.249 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 222633769 ANNNYZVPTVEBJP-CFGAKRJMSA-N 439.924 5.283 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222787108 FEVYZATVRQOWON-GOSISDBHSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223081240 HQDMMWFLOGILMY-NRFANRHFSA-N 438.612 5.005 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223280042 RWMGQCFZEYHIPN-FQEVSTJZSA-N 434.555 5.245 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223936337 NPKAAUZJHINOFQ-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224388907 RZFUDYCFZDGJGM-DLBZAZTESA-N 434.359 5.222 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224544636 QVRXJEMQZRLTBE-ZEQRLZLVSA-N 427.529 5.527 0 40 IKAB CCc1nc2ccc(NC(=S)NCCNc3cc(C)nc4ccc(C)cc34)cc2s1 225229404 AHTAHZKFIJZTRT-UHFFFAOYSA-N 435.622 5.422 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 225836224 RJIRFGKCNRAVJX-UHFFFAOYSA-N 441.531 6.010 0 40 IKAB CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)c(F)c2)n1 257201815 AJDJIFZTTODFMK-HSQYWUDLSA-N 440.950 5.256 0 40 IKAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2o1 257319435 VSNRPMGPFHVYDG-HXUWFJFHSA-N 430.935 6.476 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc1OCC 408619621 KHLSBGSPYYONEP-UHFFFAOYSA-N 435.520 6.317 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccc(C(=O)O)cc1)Sc1nc2ccccc2o1 408633916 NIYVREPJZTWLEC-BKUYFWCQSA-N 447.468 5.323 0 40 IKAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCc1ccccc1 408634572 RUMIRCSRHFNORO-HMAPJEAMSA-N 432.501 5.368 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c(C)c1 408642326 OAQZLXBGDJLZRV-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB C[C@H](NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)c1ccccc1 408647511 UEQJOCYZLLDAFA-KRWDZBQOSA-N 428.463 5.075 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 408694370 DOYSCTHMBJMQFF-HXOBKFHXSA-N 436.939 5.627 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)c1 408697651 KMDATYLAAPWUPY-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB S=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408977351 ILUKXUFTRNSYNI-UHFFFAOYSA-N 442.592 5.797 0 40 IKAB O=C1S/C(=C\c2ccccc2Sc2ccccc2)C(=O)N1CCCc1ccccc1 409137046 UTVYJIGITASZQL-NKFKGCMQSA-N 431.582 6.507 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)c2ccccc2)C1=O 409226441 WFBAGIDOZMPWMW-HAHDFKILSA-N 431.513 5.548 0 40 IKAB Cc1cccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)c1 409267025 RKJTWKDEYGAQBI-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1cc2nc3s/c(=C/c4ccc(-c5cccc(Cl)c5Cl)o4)c(=O)n3c2cc1C 409391871 KCEBUCQOSWTLGH-VXLYETTFSA-N 441.339 5.641 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)c2)cc1 683004 OICCYXHWDBRVRD-PMACEKPBSA-N 432.520 5.115 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 799498 TZYCNLGPWRIZNZ-UHFFFAOYSA-N 437.062 5.037 0 40 IKAB Fc1ccc(-c2csc(N3CCN(C(=S)Nc4ccc(Cl)cc4)CC3)n2)cc1 1349323 GXLAOHWURVOZIH-UHFFFAOYSA-N 432.977 5.122 0 40 IKAB CCC(=O)O[C@@H]1CC[C@H]2[C@@H]3C[C@@H]4C(Cl)(Cl)[C@@]45CC(=O)CC[C@]5(C)[C@H]3CC[C@@]21C 1631272 UFSQBZDHAWVKPF-OVPBJJRPSA-N 427.412 5.704 0 40 IKAB c1ccc(-c2nc(NCc3ccc4c(c3)OCO4)c3cc(-c4ccccc4)sc3n2)cc1 1802734 NPTGBWFSAHZMSI-UHFFFAOYSA-N 437.524 6.366 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1Br 2145480 MUEMEKZWIPGEFO-UHFFFAOYSA-N 425.351 5.551 0 40 IKAB CC(C)(C)OC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2249249 DUROHHGLULEKDP-UHFFFAOYSA-N 429.307 5.418 0 40 IKAB Clc1ccccc1Cn1c(-c2cccc(Br)c2)nc2nc3ccccc3nc21 2256690 XWMOIMCYKANVLV-UHFFFAOYSA-N 449.739 6.111 0 40 IKAB COc1ccccc1Oc1coc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O 2421449 OMDCARWTKICQFH-UHFFFAOYSA-N 426.827 5.965 0 40 IKAB biogenic COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2)cc1OC 2619028 ORIGIYHYOMIXND-UHFFFAOYSA-N 433.533 5.123 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)NC(=S)Nc3ccccc3C(C)(C)C)cc12 2659370 LGXCIWCPODQUAJ-UHFFFAOYSA-N 448.617 5.820 0 40 IKAB Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@@H]4CCCC[C@H]43)o2)c(C(C)C)cc1Cl 2791769 MGPIGUQHHXQDOW-WIYYLYMNSA-N 443.971 5.918 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)N(C)C2CCCCC2)nc2sc3c(c2c1=O)CCCC3 3257796 XTSSHKGRCYHRMS-OAHLLOKOSA-N 447.670 5.191 0 40 IKAB CC(C)N(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1)c1ccccc1 3259130 UMWGXUJDFSDIRV-UHFFFAOYSA-N 447.535 5.059 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccc2c(c1)OCO2 3347944 ZDKKESRHDYIXJZ-UHFFFAOYSA-N 441.578 5.139 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 3436416 XENPFMIBLKMWBJ-FQEVSTJZSA-N 448.950 5.932 0 40 IKAB CCc1cccc(OCCSc2nnc(COc3ccccc3F)n2-c2ccccc2)c1 3450989 XUPZBVOXCUZZSN-UHFFFAOYSA-N 449.551 5.719 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Oc3ccc(Cl)cc3)cc2)c1 4089691 YMMQAISCPIBVOX-UHFFFAOYSA-N 440.952 6.046 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6301270 KVMRHWIPRKHNRS-HXUWFJFHSA-N 447.648 5.915 0 40 IKAB COc1cccc([C@H]2CC(c3cccs3)=NN2c2ccc(Br)cc2)c1OC 8396908 QOVKSZRHXJPLKJ-GOSISDBHSA-N 443.366 5.884 0 40 IKAB CSc1ccc(-c2nc(-c3ccc(C(=O)c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8741070 LILZYXNMOLYAGR-UHFFFAOYSA-N 446.575 7.364 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)NCc1cccc(Cl)c1 8750177 TYJIZKUCCGWQEJ-UHFFFAOYSA-N 430.961 5.105 0 40 IKAB CSc1cccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)c1 8753103 MXXHQUUHUXFGDX-HXUWFJFHSA-N 427.573 5.521 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 8754855 NKCCOWTZNZCYLE-IBGZPJMESA-N 445.950 5.598 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 8816746 MPRXCXOBOBBYHI-BDYUSTAISA-N 428.532 6.070 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 8827450 OISWETCRPWODLO-QGZVFWFLSA-N 443.311 5.615 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C)c1nc2ccccc2c(=O)[nH]1 8888026 PGBAWKOSYNMYFQ-TWOQFEAHSA-N 446.580 5.181 0 40 IKAB COc1ccc(C2=NN(c3ccc(C(F)(F)F)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 8925835 GLMVYHKUVPXMMI-JOCHJYFZSA-N 430.857 6.723 0 40 IKAB CCCCCN1C(=O)N(c2ccc(C)cc2)[C@@H](N(O)C(=O)Nc2ccc(C)cc2)C1(C)C 8926013 VIJRBCGJYRUDPI-QFIPXVFZSA-N 438.572 5.764 0 40 IKAB C[C@H](NC(=O)CSc1nncn1-c1ccccc1F)c1ccc(-c2ccccc2)cc1 9056821 UOLXJNIVUMHQEU-KRWDZBQOSA-N 432.524 5.043 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 9272519 MBWACYIAXKKYPA-HHHXNRCGSA-N 437.587 6.098 0 40 IKAB CCc1cccc2c(C(=O)COC(=O)c3ccccc3C(=O)N(C)c3ccccc3)c[nH]c12 9466606 OHCQDRBHPQGEMV-UHFFFAOYSA-N 440.499 5.047 0 40 IKAB CCOC(=O)c1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 9581944 QYXZBIMOOPZXJD-RUZDIDTESA-N 440.499 5.099 0 40 IKAB Cc1nc2nc(SCc3ccc(Cl)cc3)nn2c(O)c1Cc1ccc(Cl)cc1 9698481 QOXTVWGLEMCKQT-UHFFFAOYSA-N 431.348 5.328 0 40 IKAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059519 MSVWZQXQYZYXAX-SSEXGKCCSA-N 449.550 5.971 0 40 IKAB O=C(COC(=O)c1ccc(C(=O)c2ccccc2)cc1)Nc1ccccc1SC(F)F 11473735 GVVJCMUDVLOCLG-UHFFFAOYSA-N 441.455 5.028 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc2ccccc2c(=O)s1 12274412 VCFNZXKWVUJZHQ-UHFFFAOYSA-N 449.553 5.727 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4snc5ccc(Cl)cc45)cc3)sc2c1 12559617 VGXXMVNLQYTUTM-UHFFFAOYSA-N 435.961 6.787 0 40 IKAB CCOc1cc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)ccc1O 12582988 ADJBEJGARXYBFB-UHFFFAOYSA-N 430.554 6.599 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)nc2C)cc1 12602540 PAHYCQZPTUXGFM-SANMLTNESA-N 438.531 5.040 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 13568049 SERSYPJWWVBNJF-UHFFFAOYSA-N 444.274 5.466 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1Cl)c1cccc2c(Cl)cccc12 14269835 LJERTXZELFVOGY-UHFFFAOYSA-N 444.170 6.580 0 40 IKAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1cccc(Oc2ccccc2)c1 14360667 QXNIWHIAMIAQCH-UHFFFAOYSA-N 427.456 5.436 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 16611265 OTGDNAOMXWLUHB-CQSZACIVSA-N 435.574 6.197 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cccc3cccnc23)sc2c1CCCC2 16683089 XZXSTICTMSMUKV-UHFFFAOYSA-N 426.563 5.083 0 40 IKAB Cc1sc2nc(SCC(=O)c3ccc(Cl)cc3)n(Cc3ccco3)c(=O)c2c1C 16713436 KNIQKWNKGAPVHV-UHFFFAOYSA-N 444.965 5.345 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(OC(C)C)cc1 17095987 RIRAWWZGXDEDRV-UHFFFAOYSA-N 428.536 5.892 0 40 IKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2OC)cc1 17097921 WKJYLNBPJXCSRL-UHFFFAOYSA-N 432.476 5.146 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Cl)c1Cl 17098642 SKFZGOCLKNDCTD-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB O=C(NC(=S)Nc1nc2c(Cl)cccc2s1)C(c1ccccc1)c1ccccc1 17101828 TWILRUGFIZLAKA-UHFFFAOYSA-N 437.977 5.595 0 40 IKAB COc1ccccc1-c1ccccc1C[C@@]1(C(=O)O)CCCN(Cc2ccccc2F)C1 19571708 GZLWUCAYSYUJBO-MHZLTWQESA-N 433.523 5.411 0 40 IKAB Cc1cc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc(C)c1Cl 19630579 POUNUANQNQECEV-UHFFFAOYSA-N 439.722 6.646 0 40 IKAB COc1cccc([C@@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 19648196 NKAKSAOYTKQBOL-NRFANRHFSA-N 448.931 5.435 0 40 IKAB O=C1[C@H](C2CCN(Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 19698509 NDDQBASKISVIQB-SANMLTNESA-N 425.576 5.052 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cc(Br)ccc1Cl 20138492 JALROLCBZMXEBV-UHFFFAOYSA-N 441.108 5.761 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 20144706 RAAJOTDHIFMPGC-LBPRGKRZSA-N 436.291 5.160 0 40 IKAB O=C(NC(=S)Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccccc2)cc1 20152185 DOKSEEWSXCBATK-UHFFFAOYSA-N 445.327 5.485 0 40 IKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1F 20175723 UADPVNGJDUJVIN-UHFFFAOYSA-N 443.990 6.371 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1OC 21005571 YYOOPXDUIXHYFF-XMMPIXPASA-N 425.488 5.034 0 40 IKAB CCCCc1ccc(NC(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 22919277 RDCXCVNMMYIXGU-UHFFFAOYSA-N 441.619 5.375 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26089957 AQMQZBFIWIHBBL-UHFFFAOYSA-N 435.574 5.301 0 40 IKAB Cc1ccc2c(c1)S/C(=C1/C[C@@H]3[C@@H]4CC[C@@H]5CCCC[C@]5(C)[C@@H]4CC[C@]3(C)C1=O)S2 26570777 YMDSWPZYGHRYGY-XYTYBFHPSA-N 438.702 8.016 0 40 IKAB Fc1cc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c2ncccc2c1 31613238 BMQSHEACLSVJBE-UHFFFAOYSA-N 427.508 5.368 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)c1 32676068 COSPAOLIFKMDGU-UHFFFAOYSA-N 426.560 5.389 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccccc1 38755909 HJLYMTIXRGYAFC-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB CC(=O)c1sc(NC(=O)COc2ccc(Cl)c3cccnc23)nc1-c1ccccc1 40139073 KNOYTIWECWTIOE-UHFFFAOYSA-N 437.908 5.232 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1COc1ccccc1 40157008 HZXJEJLVAJJFFD-UHFFFAOYSA-N 433.895 5.540 0 40 IKAB Cc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1NCC(=O)Nc1cccc(Cl)c1Cl 58304488 WHPYYVHPMMYJDQ-GASCZTMLSA-N 448.394 5.471 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2cc(C)ccc2C(C)C)o1 59179576 NPQHUSZSEVHFOH-UHFFFAOYSA-N 425.554 5.374 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Br)cc1)N1CCSCC1 64471932 IIFSMASGXMUJQG-UHFFFAOYSA-N 446.345 5.069 0 40 IKAB C[S@](=O)C[C@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12)c1ccccc1 83990093 SYQUHSZXRHZGGI-XDBZFTIUSA-N 427.982 5.543 0 40 IKAB Cc1nc(C)c(-c2nnc(SCC[S@@](=O)c3cc(Cl)ccc3Cl)o2)s1 84062529 OEEISXKPVAFUIF-VWLOTQADSA-N 434.395 5.017 0 40 IKAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccc(F)cc1 85412305 ADUKFQFOALXOOA-NRFANRHFSA-N 441.528 5.370 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@@H](O)C(C)(C)[C@@H]2CC[C@]13C 87493083 JOCIRBSYAYKMEF-HJNBUTKPSA-N 426.729 8.313 0 40 IKAB biogenic Cc1cccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc(F)cc4)cc3)C2=O)c1 106707417 ZKTZRFZTYHNYOG-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 214410655 BTBDTEAOXOVBOF-VIZOYTHASA-N 433.143 6.537 0 40 IKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCCC2 222955910 DRJXYRPRIHEBFX-MRXNPFEDSA-N 444.413 5.882 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Br)cc4)ccc32)c1 223082973 MEVSONYWAFNVDZ-UHFFFAOYSA-N 449.348 5.603 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223094563 QIKPSTZEZSWVKN-SFHVURJKSA-N 433.017 5.074 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 223337238 GDUUWVWIQRZHCY-FCHUYYIVSA-N 434.952 5.291 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223788567 OEXBTJDPSFGCOD-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 224156351 UGLBFHBDHCQSJZ-XMMPIXPASA-N 438.637 5.094 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccccc1 224178935 AVWJRCHSKCLYFV-FCHUYYIVSA-N 431.952 5.098 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cc(C)cc(C)c1 224193557 RMLJRYUQLOWVNV-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2C)cc1 224205651 KGQZKVQNFHILAW-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc2ccccc2c1 224643482 CHJSUQGXVGCFFO-UHFFFAOYSA-N 443.568 6.792 0 40 IKAB Cn1c(=O)sc2cc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)ccc21 225051483 HFXDYSOIEYVCEP-UHFFFAOYSA-N 436.558 5.023 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2c(F)cccc2Cl)c1C 225368994 HSVBAHTYPWZLDM-UHFFFAOYSA-N 440.993 5.184 0 40 IKAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1 225561857 DPHHZVIOMWBTIG-JOCHJYFZSA-N 436.596 5.017 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225579903 HLKVBIZUTADDEO-UHFFFAOYSA-N 449.275 6.002 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225742212 IWZFSFOKYKEARI-QHCPKHFHSA-N 446.676 6.136 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 226337746 SCXRBMVRMOMFEP-VAWYXSNFSA-N 441.321 5.766 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2nccc3ccccc23)o1 257218872 DERCHGMIDAQGSX-JOCHJYFZSA-N 427.504 5.190 0 40 IKAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257304431 SLQBSYKNNDHQBY-NRFANRHFSA-N 440.975 5.218 0 40 IKAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc12 257320388 VWPHSJHCSOSMCI-JOCHJYFZSA-N 441.550 6.016 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)C1 257324978 WQZOZQZCAQATAJ-KRWDZBQOSA-N 446.572 5.183 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3F)ccc2Cl)c(C)c1 408546621 GBUFTTLVTKJWGV-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccc(Cl)cc1 408577238 SAVJGYFLFNMUKK-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)c1 408697600 IJQFTCFJMZJBLP-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cccc(Cl)c2C)cc1 408698036 LHQARNQJEXWHAT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CSc1nc2ccc(NC(=O)c3ccccc3C(=O)NC3CCCCC3)cc2s1 408748233 ANWYMHJQDSNSBI-UHFFFAOYSA-N 425.579 5.333 0 40 IKAB CCCCCC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 408949114 DTDUYOHGDGBECP-DIFFPNOSSA-N 441.277 5.180 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409083409 AIWMSHYZEKRLQV-GZTJUZNOSA-N 433.938 5.091 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccccc1OCc1ccc(Cl)c(Cl)c1 409100237 VPOPDNDEBUTWMM-MTJSOVHGSA-N 428.340 6.658 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(Cl)cc1 409117323 XJMFWUFILARUHU-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1Cl 409136024 VXZCINVNSYVDLF-YBFXNURJSA-N 445.924 5.915 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)cc1 409343656 FNCABQAZSFXGPC-BKUYFWCQSA-N 438.549 5.272 0 40 IKAB CC[C@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 606422419 ZLHCIFDYFRXRTH-IBGZPJMESA-N 430.957 5.615 0 40 IKAB COc1ccc2nc(Cl)c([C@H]3Nc4ccccc4C(=O)N3c3ccc(C)cc3)cc2c1 643543 YZCMZHXADGSGRR-DEOSSOPVSA-N 429.907 5.976 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)cc12 878442 CHJVHFSEBCTQEZ-LJQANCHMSA-N 445.588 5.376 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3cccc(Cl)c3n2)cc1 992746 YRCOWUCLOHYMIV-UHFFFAOYSA-N 449.865 5.743 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1Cl)N(C(=O)c1ccccn1)c1ccccc1 1339026 QJPRIUHXOQRXHV-DEOSSOPVSA-N 447.966 5.572 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)cc2c1 1353213 KEYOEIVZBOYAIF-UHFFFAOYSA-N 431.923 5.724 0 40 IKAB Cc1ccc(OCCn2c(SCCOc3ccc(Cl)cc3)nc3ccccc32)cc1 2058889 HPPBBTFBVPTZTR-UHFFFAOYSA-N 438.980 6.248 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)c(Cl)c2)CO4)cc1 2120839 CRKUZQLODODNPB-UHFFFAOYSA-N 447.918 6.095 0 40 IKAB biogenic Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2254027 QPEYPTRPRMVWMZ-DHIUTWEWSA-N 448.860 5.422 0 40 IKAB CCOC(=O)[C@](O)(c1ccc(NC(=O)Nc2ccc3ccccc3c2)c(C)c1)C(F)(F)F 2300439 OHJBHWHTGYPNLM-JOCHJYFZSA-N 446.425 5.105 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(C)cc2)c2c3c(sc2n1)COC(C)(C)C3 2327645 ONZOAQZHDPZTIH-UHFFFAOYSA-N 427.595 5.144 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 2629919 DSVZZHDTQOLZBI-LPHOPBHVSA-N 432.553 5.434 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)c3cc(Br)ccc3n2)cc1 2773426 VPBQZIZUHNIILW-INIZCTEOSA-N 437.381 6.099 0 40 IKAB FC(F)Oc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCCCC3)cc1 3189082 HAKQGEZOZFZHJR-UHFFFAOYSA-N 434.304 5.522 0 40 IKAB O=c1c2ccccc2n2c(SCc3c(F)cccc3Cl)nnc2n1-c1ccccc1 3292012 QCDWEZBYNWLECD-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc(C)c(Cl)c1 3323236 UMHPLIRRGCYWFN-UHFFFAOYSA-N 446.931 5.743 0 40 IKAB Cc1ccc(-n2nc(-c3ccccc3)cc2Nc2ccccc2NC(=O)C(F)(F)F)cc1 3324980 ZKECVFJDHWEZCB-UHFFFAOYSA-N 436.437 6.092 0 40 IKAB O=C1/C(=C/c2ccccc2OCc2ccc(Cl)cc2)NC(=S)N1C1CCCCC1 3662913 CQDZCBWMUZXPRC-ZHZULCJRSA-N 426.969 5.309 0 40 IKAB CCC(=O)N(Cc1ccc(OC(C)C)cc1)C(=O)CC[C@@]1(C(C)C)CCOC(C)(C)C1 4061067 DJQRMWXMCYDMSW-AREMUKBSSA-N 431.617 5.751 0 40 IKAB biogenic CCOc1ccc(CNCC[C@]2(c3ccc(C)cc3)CCO[C@@H](C(C)C)C2)cc1OC 4073146 CJHMCYLLXMOHLY-SXOMAYOGSA-N 425.613 5.655 0 40 IKAB biogenic Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c(C)c1 4555121 SPAGEVNQWHVXAP-NDEPHWFRSA-N 427.544 5.052 0 40 IKAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccccc3Cl)=NN12 5477817 JEJYEGWHAPNYEN-NRFANRHFSA-N 425.960 5.094 0 40 IKAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 8254763 OSSPYYQPCXEVMA-VIAIDJOKSA-N 425.638 6.420 0 40 IKAB CCc1ccc(S(=O)(=O)Nc2cc(Br)c3oc(C)c(C(C)=O)c3c2)cc1 8765701 ALFBBPQFQKCZEB-UHFFFAOYSA-N 436.327 5.070 0 40 IKAB Clc1cc(-c2ccnc(SCc3ccc(Br)cc3)n2)c(Cl)s1 8782050 OJPTWPZTPPHAQX-UHFFFAOYSA-N 432.195 6.567 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1C 8810049 RNUQVNVBMKKLHL-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccccc2C)cc1Cl 8828007 OJPGCDFKJKSNJM-UHFFFAOYSA-N 449.890 5.652 0 40 IKAB COc1ccc(Cc2nnc(S[C@@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)o2)cc1 8862274 CQMVAGHGWLVMJE-HSZRJFAPSA-N 445.544 5.450 0 40 IKAB CCOC(=O)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8921735 VYWBWXWYMBRISX-IBGZPJMESA-N 441.484 5.091 0 40 IKAB Cc1nnc2c(N3CC=C(c4ccccc4)CC3)nc3ccc(C(=O)c4ccccc4)cc3n12 9224688 JAPWHNUUBDUCQG-UHFFFAOYSA-N 445.526 5.111 0 40 IKAB COc1ccc(-c2cnn3c(C(F)(F)F)cc(-c4ccc(OC)c(OC)c4)nc23)cc1 9261192 NDWZNPSTDXAYSF-UHFFFAOYSA-N 429.398 5.108 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2)cc1OC 9428349 KJIZMNMOCXEAFC-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB O=C(c1ccc(COc2ccccc2)o1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9545483 HAXOZCRSFFTSKK-SFHVURJKSA-N 434.517 5.294 0 40 IKAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 9591929 ZNYYJZBNFXWWFH-KRWDZBQOSA-N 445.490 6.332 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 9595841 GOUCXLVBDUZHAG-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1-c1ccccc1 9632427 SKKDGBSNQASBKC-UHFFFAOYSA-N 436.537 5.819 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)CC(c3ccccc3)c3ccccc3)C(C)C)n2)cc1 9636662 JUVQHGPJUQUOON-UHFFFAOYSA-N 439.559 6.004 0 40 IKAB Cn1ccnc1S[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 9642466 ZEZFICIZVJLVLP-MRXNPFEDSA-N 425.863 5.564 0 40 IKAB CN(C)C(=S)S[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 9703493 HJOIJOGYGMSWSD-HNNXBMFYSA-N 432.920 5.618 0 40 IKAB Clc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1Cl 10475616 OTHOCRSXLMQTAK-UHFFFAOYSA-N 430.154 6.022 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NCc1ccc(-c2ccc(Cl)cc2)o1 10811443 JCGYABHSPXRTDM-UHFFFAOYSA-N 425.847 5.038 0 40 IKAB COc1cc(OC)c(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)o2)cc1Cl 11300766 KZLHWPVXKFLVRG-UHFFFAOYSA-N 439.320 5.396 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3oc4ccccc4c3C(=O)c3ccccc3)no2)cc1 11915061 JXXNZLCGPMDVOV-UHFFFAOYSA-N 438.439 5.580 0 40 IKAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(SCc2csc(C)n2)cc1 12820849 FROLYWPDKAWVNK-UHFFFAOYSA-N 430.570 5.554 0 40 IKAB COc1ccc(-c2nc(Cn3c(-c4ccccc4)nc4ccccc4c3=O)cs2)cc1 12847541 UAXWPXPYZBYFLT-UHFFFAOYSA-N 425.513 5.244 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCCCC2)cc1 12982733 RTIVFDYKXOADLH-UHFFFAOYSA-N 442.625 5.254 0 40 IKAB C[C@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 13097343 PWLWDECZBCNFHI-JTQLQIEISA-N 446.450 5.558 0 40 IKAB Cc1ccc(S(=O)(=O)O[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)C(=O)CC[C@H]43)C2)cc1 13400799 HNTMKSKJRZRWKS-PGXUBLKCSA-N 444.637 5.681 0 40 IKAB biogenic COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(C)c1C 13568366 ROPPXIHKBBHGQG-UHFFFAOYSA-N 442.028 5.967 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccc(C)cc3)csc2c1=O 16846178 MVGGYHFBUNQDTQ-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 17097989 YIHCWLXPEIAHEY-UHFFFAOYSA-N 432.520 5.506 0 40 IKAB COc1ccccc1-c1nn(-c2ccc(C)c(Cl)c2)c(-c2ccccc2OC)c1Cl 17103140 GWAOGOCNBFZPBB-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB COc1ccc(S[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 20036847 NFMXJLHPYSQJKM-CYBMUJFWSA-N 430.422 5.532 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OCC 20456276 SIZZMZSLNPAOPU-CQSZACIVSA-N 442.408 5.901 0 40 IKAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 20671405 KUVWRSCABUITLY-OAHLLOKOSA-N 438.915 5.122 0 40 IKAB COc1cccc(OCc2nc3ccccc3n2CC(=O)N(c2ccccc2)C(C)C)c1 21168484 CABKQZLZVCEUHS-UHFFFAOYSA-N 429.520 5.066 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)cc1 21798098 IEMCHWNEXBHXAI-UHFFFAOYSA-N 426.907 6.493 0 40 IKAB O=C(COc1ccc2ccccc2c1)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907876 LMHWYMQYVUSTGF-RUZDIDTESA-N 442.584 5.196 0 40 IKAB COc1ccc2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc3)nc2c1 23410386 ICKBYFAHFXKPCR-VGOFMYFVSA-N 429.501 5.030 0 40 IKAB O=C(Nc1ccc(COc2ccccc2)cc1)c1cc(-c2cccnc2)nc2ccccc12 26780154 CVMYFIPEBRIKTG-UHFFFAOYSA-N 431.495 6.128 0 40 IKAB COc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 28393728 UAEGZZAOKPLBAF-QHCPKHFHSA-N 428.937 5.445 0 40 IKAB COc1ccc(CN2C(=O)/C(=C/c3cccc(Cl)c3Cl)c3ccccc3C2=O)cc1 33502582 YFIIOCWZGSSCMC-DEDYPNTBSA-N 438.310 5.725 0 40 IKAB Cc1ccc(SCCOC(=O)/C(=C\c2cccs2)n2nnnc2-c2ccccc2)cc1 33581383 OELKDWPRCVFGAJ-LTGZKZEYSA-N 448.573 5.044 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 33742557 KPRDMDWBQSMIAJ-UHFFFAOYSA-N 446.016 5.636 0 40 IKAB CN(C)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1 35647703 MMMFJPDYZVAAJF-CXUHLZMHSA-N 425.863 5.316 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39751075 DQSJWZFPSTYHKM-UHFFFAOYSA-N 448.607 6.277 0 40 IKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccccc1 44936874 DOBNIDIQJPBOSL-HSZRJFAPSA-N 433.423 6.109 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 44949435 ZZUZILBRTOGECM-QFIPXVFZSA-N 444.756 5.696 0 40 IKAB Cc1[nH]c2ccc(C(=O)Nc3cccc(NC(=O)c4ccc5c(c4)OCO5)c3)cc2c1C 58135141 UGKJJLDFAKUEPV-UHFFFAOYSA-N 427.460 5.018 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2ccccc2Cl)c1 58163287 BXJFRLIRUMRVPH-DEOSSOPVSA-N 435.955 5.207 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)s2)cc1 59464325 CYUVLWPFFYDJHC-UHFFFAOYSA-N 446.528 5.755 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN2C(=O)c2cc3c(C)cccc3[nH]2)n1 72372628 PIYPHMVSWLULPJ-XMMPIXPASA-N 440.551 5.307 0 40 IKAB CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 100741104 OLBNGLBVDWDALE-ADAILPIASA-N 441.568 5.380 0 40 IKAB CCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 100858210 NPDXNCLYKWHWPQ-CYYJNZCTSA-N 427.573 6.501 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102734264 CZUDJILWSYVQCR-XPWALMASSA-N 432.907 5.008 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@H]2O 118913481 IVXHYDUXTYURSY-MTCCVVSYSA-N 446.553 6.383 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccc(Cl)cc1 214163189 DTNOOUZYVNWQQZ-HYARGMPZSA-N 435.932 6.156 0 40 IKAB COc1ccc2[nH]cc(/C=C(\NC(=O)c3ccccc3)C(=O)Nc3ccc(C)cc3C)c2c1 215696955 CMAUTYDDNDLQLE-QFEZKATASA-N 439.515 5.203 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1nc(-c2ccc(Cl)cc2)no1 222729722 NRMRYZJWIGNDAC-UHFFFAOYSA-N 442.755 5.246 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 223019359 HQPFIWZAGUNCAC-GDLZYMKVSA-N 438.615 6.005 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N1CCN(c2cc(Cl)ccc2C)CC1 223085897 HUZPIWQIPQHRJL-DEOSSOPVSA-N 426.988 5.033 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccccc2)cc1 223270353 AFSPKURCSCQCNA-XLKFHUSGSA-N 443.587 6.554 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 223376439 MRRLVKLXEZIWOF-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CC1(C)CCc2cc(S(=O)(=O)Nc3cccc(OCCc4ccccc4)c3)ccc2O1 223668614 VACQLWWUQOVUCX-UHFFFAOYSA-N 437.561 5.213 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224320417 VORCSLYHXCGPTE-SFHVURJKSA-N 429.491 6.058 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224357545 JIXIAITVHOHREE-RPBOFIJWSA-N 439.588 5.568 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC(C)(C)CC(C)(C)C 224562437 RGTLDSWSUDFXPS-UHFFFAOYSA-N 442.625 5.317 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccc(C)c(C)c1 224623130 CQIDEZNRWDORNQ-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc2ccccc12 224632924 KFSBPZCYPLWFRG-UHFFFAOYSA-N 441.483 5.799 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(C)[nH]3)cc2)cc1 224722996 GOIZKERYDICCTP-RPBOFIJWSA-N 440.572 5.996 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 225161882 KIWXAZKKINVELW-QHCPKHFHSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C)cc1 225207213 WLVJGEOYBVDXOT-VWLOTQADSA-N 438.587 5.323 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225519787 ZJIGUXCYIACWDT-BKMJKUGQSA-N 436.640 5.773 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1OCC(C)C 225761258 XAUPVHQSTFYMLP-UHFFFAOYSA-N 441.543 5.878 0 40 IKAB CCc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@@H]2C 226093824 XHICSJGNYXWEJA-ZDUSSCGKSA-N 425.326 5.004 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)ccc1C 408630421 UGXMXFOHYYEBKL-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Br)cc3)n2)cc1 408696200 XQJIKFQWTHPGPL-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1cccc(C)c1 408762215 JSWKDIFUQHYVCD-JCMHNJIXSA-N 441.483 5.266 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(Cl)ccc2OC)NC1=O 408800375 OOORKXZNCGQJRM-UHFFFAOYSA-N 439.944 5.663 0 40 IKAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCN(Cc4ccc(Cl)cc4)C[C@H]23)c1 585169168 PBWQQRRTLXQGFK-JCYYIGJDSA-N 447.022 5.839 0 40 IKAB Cc1ccc(-n2nnc3c(sc4nc(-c5cccs5)cc(C(F)(F)F)c43)c2=O)cc1 642929 WUOVEFRHYPQTLO-UHFFFAOYSA-N 444.463 5.446 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(OCC(C)C)c3ccccc23)NC(=S)N1 666667 GARRIDINMJZYFM-XMMPIXPASA-N 445.588 5.306 0 40 IKAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 683019 LHNVROSKACPLPQ-WOJBJXKFSA-N 432.520 5.115 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 783335 SUBNLPQBQSDOBC-UHFFFAOYSA-N 430.558 6.080 0 40 IKAB COc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 876115 HSLZRBDEYQOPGL-UHFFFAOYSA-N 447.516 5.114 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)c1 890880 HKBYGDVXGBEOCV-UHFFFAOYSA-N 449.429 5.235 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccccc2C(=O)OCC(Cl)=C(Cl)Cl)cc1 1085108 SIGUUGIEUPVDEA-UHFFFAOYSA-N 426.683 5.184 0 40 IKAB COc1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)n2)cc1 1362587 RRUBLDRWPJNJQK-QHCPKHFHSA-N 439.515 5.432 0 40 IKAB O=C(NCc1ccco1)[C@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1F 1376705 XSNDQGHNYPCNAV-DEOSSOPVSA-N 448.519 5.114 0 40 IKAB COc1ccc(CN(CC[C@@H](c2ccc(OC(C)C)cc2)C(C)C)C(=O)c2ccco2)cc1 1786511 VDQZIOAWNGAYTO-AREMUKBSSA-N 449.591 6.548 0 40 IKAB biogenic Cc1cccc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C(C)(C)C)cc4)coc3c2)c1 1807450 JJCYEDJFSQBERH-UHFFFAOYSA-N 428.484 6.410 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c(C)c1 1846537 KKAJZKJTXATNPQ-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(Cl)cc4)c23)CO1 2215135 ZLQOPOVOXSDMAG-HXUWFJFHSA-N 437.055 6.600 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)c1 2359639 URENKQWXFIBFBV-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB Cc1ccccc1COc1ccc2c(=O)c(-c3ccc(Br)cc3)c(C)oc2c1 2667506 HPTRIFICVUAUFF-UHFFFAOYSA-N 435.317 6.418 0 40 IKAB biogenic O=C1CN(C(=O)c2c(F)cccc2Cl)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 2724594 HALCFPLBSPFNGB-OAQYLSRUSA-N 429.278 5.316 0 40 IKAB CCCCCCNC(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 2793221 JMDOLGVYTSQOFW-UHFFFAOYSA-N 430.883 5.440 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2F)cc1 2916715 IMBARSFXZOGDSH-ZEQRLZLVSA-N 444.897 5.592 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(C)c1 3296099 ZIJBYMNHUHZCAY-UHFFFAOYSA-N 427.422 5.785 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1ccc(OC(F)F)cc1 3297409 VTPWDJTYGXLUAG-QFIPXVFZSA-N 430.378 5.392 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 3301346 BSUYVUOXKQFCQR-UHFFFAOYSA-N 440.948 6.201 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 3349777 SZALWRYQYMFLIW-UHFFFAOYSA-N 442.610 5.175 0 40 IKAB O=C1/C(=C/c2ccccc2OCc2ccccc2Cl)NC(=S)N1C1CCCCC1 3662791 VZXOFBIJPMZVJQ-ZHZULCJRSA-N 426.969 5.309 0 40 IKAB CCc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 4787331 KNFHKGYLPHPXTI-DEOSSOPVSA-N 442.950 6.180 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)c1 6386559 RAXBOMADBJEYQB-MRXNPFEDSA-N 427.570 5.119 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1C 8384104 LRUVFJRVVKXGGY-UHFFFAOYSA-N 449.959 6.582 0 40 IKAB COC(=O)c1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3)nc3ccccc23)cc1 8396772 NQBQAPXHPBLQCO-UHFFFAOYSA-N 430.891 5.903 0 40 IKAB COc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)c(OC)c1 8432075 CPDCWXJXNHYPDX-UHFFFAOYSA-N 442.559 5.618 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1C(=O)c1ccccc1 8432351 CYGKPEUBZRMLNW-OAQYLSRUSA-N 435.321 5.449 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1 8758456 XIOKHEQBDYFWOZ-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 8816362 LIMYEGUYRLWQAI-RBUKOAKNSA-N 449.528 5.351 0 40 IKAB CCOC(=O)Cn1c(SCc2cccc(F)c2)nc(-c2ccccc2)c1-c1ccccc1 8857063 MQVWHJBACWRVQL-UHFFFAOYSA-N 446.547 6.212 0 40 IKAB C[C@@H](NCc1cccc(OCc2c(Cl)cccc2Cl)c1)C12CC3CC(CC(C3)C1)C2 8874288 YNINFXOIXJQORQ-GWKODMSMSA-N 444.446 7.267 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 8892291 KAXBBCHBSPWYRG-UHFFFAOYSA-N 443.330 5.283 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 8924158 SIUFOOOEUFKCPZ-GFCCVEGCSA-N 427.530 5.308 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8926510 QWGGWUXGEGVVQT-UHFFFAOYSA-N 439.515 6.604 0 40 IKAB Brc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 9304741 GVRVYQAAZNPRCM-XXBNENTESA-N 449.304 5.420 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2cccc(C)c2)cc1 9307146 HUICQDRCQAJEAI-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@H]3c1ccccc1 9356564 ILIQKOIBOWSXGS-HSZRJFAPSA-N 442.478 5.936 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(F)cc4Cl)cc3O)n[nH]c2C)cc1 9409699 RCQYRCCACFNSIW-UHFFFAOYSA-N 438.886 6.138 0 40 IKAB CCOC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 9410790 KJTOMNLYONKQIB-UHFFFAOYSA-N 444.487 5.639 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 9500488 FRHIOIXIMZSXKW-OAHLLOKOSA-N 427.957 5.517 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1cccc(Cl)c1Cl 9599238 NJVYUKGFUQZWJV-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1Br)c1nnc(-c2cccs2)o1 9778204 VEKBXEGREIBZAR-MRVPVSSYSA-N 430.121 5.463 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCCC3)c(Cl)c2)cc1 9846262 DUMYJAPTGUYIOU-INIZCTEOSA-N 446.016 5.634 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCCC2)cc1 10367495 AGFBLAZITHVUEE-UHFFFAOYSA-N 437.436 5.643 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OCC)cc1 12195847 RMTZPAIRHOQBCJ-JYFHCDHNSA-N 448.950 6.380 0 40 IKAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@@H](c2ccc(OC(F)F)cc2)N1 12560398 BBEKMJWTPJFAHM-XMMPIXPASA-N 443.453 5.759 0 40 IKAB Cc1ccc(Nc2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 13027592 UWLJMQXTEMYHJB-UHFFFAOYSA-N 435.380 5.572 0 40 IKAB COc1ccc(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC 13031981 WIESXFQUYYDXDU-JOCHJYFZSA-N 444.453 5.192 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1)c1cccs1 13117549 CLMJFJFPKVMANF-KRWDZBQOSA-N 447.585 5.630 0 40 IKAB CSc1nc2ccc(NC(=O)c3ccccc3OCc3ccccc3Cl)cc2s1 13141496 NZHYUXNYSPIGPF-UHFFFAOYSA-N 440.977 6.503 0 40 IKAB CSc1nc(SCC(=O)Nc2cccc(C)c2)c2c3c(sc2n1)COC(C)(C)C3 13555054 GXFYMEFTOBHJSL-UHFFFAOYSA-N 445.635 5.304 0 40 IKAB Cc1ccc(C)c(OC[C@@H](O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 14251735 ZOCAVFFGOVUXMB-LJQANCHMSA-N 448.592 5.219 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 14270917 PBCHLTXUGDYTQX-UHFFFAOYSA-N 443.576 5.035 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccccc2I)c2ccccc2)cc1 14577253 LOIRUFIOCZXREP-HXUWFJFHSA-N 427.285 5.119 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(-n5cnnc5)n4)cc3)nc2c1 15826214 IEODXBPMUYKTBB-MRXNPFEDSA-N 438.491 5.236 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc2nc(Nc3ccccc3)sc2s1 16045794 QLVQSOXKJIVKBB-UHFFFAOYSA-N 434.373 6.338 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(SC(F)(F)F)cc1)c1ccc(Cl)cc1 16263028 YQCQOPJFPGSFFA-INIZCTEOSA-N 425.863 5.205 0 40 IKAB C/C=C/Cn1c(-c2c(C)oc3ccccc23)cs/c1=N\S(=O)(=O)c1cccs1 16755220 RBAXEYGMYQYUME-DAEITOFSSA-N 430.576 5.198 0 40 IKAB CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(CC)cc4)cc23)cc1 16841666 XVUAMCQDVSPPBZ-UHFFFAOYSA-N 432.549 5.088 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4ccc(Cl)cc4)ccc3O)oc2c1 17101759 ZRVLWHQYXOKPJP-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB CCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1csc2c1CCCC2 17102062 WPVBHXIXIVNFIJ-UHFFFAOYSA-N 438.449 6.895 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Sc3nnc(C4CC4)n3C3CC3)ccc21 17280160 GOVFBOBMRDNMCW-OAHLLOKOSA-N 445.592 5.738 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(Nc4ccccc4Cl)s3)o2)c1 17837534 MJVBASOZQXKDSE-LBPRGKRZSA-N 429.958 6.147 0 40 IKAB COc1c(Cl)cc(C(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1Cl 19644175 YZYPZTFHWZGBQL-UHFFFAOYSA-N 446.113 6.926 0 40 IKAB CCCCc1ccc(N2C(=O)CS[C@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19645238 IBHOFHCYMGDVQD-HHHXNRCGSA-N 446.616 5.813 0 40 IKAB CC(C)n1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2ccccc2)nc2ccccc21 19689983 WJERBPXXTQOIRW-XMMPIXPASA-N 440.595 5.477 0 40 IKAB CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712006 DMFXEKDSRNBWGQ-LADGPHEKSA-N 439.506 5.056 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20458460 WZSNRONOQGHXAV-HXUWFJFHSA-N 443.587 6.745 0 40 IKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 21005496 OKLLRPVCFSKTAI-QFIPXVFZSA-N 430.895 5.323 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nn3c(C)c(-c4ccc(Cl)cc4)c4c3n2CCCC4)c1 26441985 OQQMGQFMICUDQT-UHFFFAOYSA-N 448.010 7.112 0 40 IKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 32610228 RVJRDAXAXKKASZ-QZTJIDSGSA-N 430.335 5.585 0 40 IKAB Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)N3CCCCCC3)c(Cl)nc2c1 33435692 ZIBMFSWINWOURJ-QJOMJCCJSA-N 447.966 5.370 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)cc1 35290893 FLVIWZCFVQRALH-UHFFFAOYSA-N 427.529 5.154 0 40 IKAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1cc(C(F)(F)F)ccc1Cl 44841410 LIXZWYWIPFZMSD-UHFFFAOYSA-N 440.849 5.020 0 40 IKAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1c(C)nn(CC(C)C)c1Cl 58224110 YYOHDIKEJGQUKA-SOFGYWHQSA-N 442.869 5.130 0 40 IKAB COc1ncccc1NC(=O)c1cc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2s1 65488898 GAHRANYMXIHFLS-UHFFFAOYSA-N 432.427 5.070 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 66129434 LAMPPZAYRXOJOM-UHFFFAOYSA-N 426.438 5.396 0 40 IKAB Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2ccccc2C)n1 67294641 DPUXTTXEEDPAKD-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cc1 72349361 ASOGCPYYDYOGKU-JOCHJYFZSA-N 432.539 5.159 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cc1 72349882 KEVCXWZAAPYDCC-UHFFFAOYSA-N 447.966 5.304 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 80444472 NTWLPZMPTFQYQI-AFWFLILISA-N 442.728 7.141 0 40 IKAB biogenic Cc1nn(-c2ccc(Br)cc2)c(NC(=O)N(C)[C@H](C)c2ccccc2F)c1C 95446419 ITHBEHYLJTVZCW-OAHLLOKOSA-N 445.336 5.616 0 40 IKAB Cc1ccc2c(-c3cc4c(CN(C)C5CCCCC5)cnc(C)c4o3)cc(=O)oc2c1C 95479742 BQMXQHLYQWQUAQ-UHFFFAOYSA-N 430.548 6.291 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1 98002329 PNZGONMNRRTVHA-WSDLNYQXSA-N 445.544 5.406 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223866824 JFRWJHQLHHJACE-DNQXCXABSA-N 426.545 5.063 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 223872625 CEWYZRWJSNFESR-XZOQPEGZSA-N 447.947 5.878 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1C 224001234 QXOOPZGDMHIRSD-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224018502 FIAFSLHAVMXJOT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)c(OC)c1 224147690 JFHZREXSWUCNKW-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 224534854 HYPONEOSARBMPF-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224697883 WTWGEWFJGWWHTB-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224892023 NTSMMXZPMTZFPA-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)o2)c1 224901507 UDNJXJPHHFFIQF-UHFFFAOYSA-N 428.444 5.041 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224941198 AGPBTNLXNGGUJM-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cccc(Cl)c1 225217771 BLHQJEXCGGCBTB-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225282560 YMIOXNKEUJYIDO-ROUUACIJSA-N 449.422 5.485 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC(C)CC4)cc3)CCCCC2)c1 225540241 OJYVXQYXTQZCRT-UHFFFAOYSA-N 448.651 6.336 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 257332100 XVTFIQMVKQMVEY-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 408607455 MKHGIQKXAQKRKE-UHFFFAOYSA-N 440.908 5.448 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)Sc1nc2ccccc2[nH]1 408632323 DJFSUCKHVWOGBZ-UUYOSTAYSA-N 446.484 5.088 0 40 IKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)cc1Cl 408683484 LIPOKQWJGFKVEI-UHFFFAOYSA-N 442.173 6.697 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408694600 KMVBLVQDMYDXOP-OAQYLSRUSA-N 428.315 6.021 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 408926464 UBRIFBQJTHUFTH-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc5c(c4)OCO5)C(=O)O3)sc2c1Cl 408973481 SSGOOJVVVRVXKE-WDZFZDKYSA-N 448.283 5.290 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(Br)cc1OC 409098055 JYMXHXNEXMINER-MLPAPPSSSA-N 442.231 5.368 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)Nc1ccccc1 409381910 OTWVXEKVAQCQED-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)C[C@H](NC(=O)C[C@@H](c1ccc(Cl)cc1)n1cccc1)c1nnc2ccccn12 524734279 PFYNIMIZKNOSHR-SFTDATJTSA-N 435.959 5.067 0 40 IKAB COc1ccc([C@@H](NC(=O)N(CC2CC2)C[C@@H]2CCCN3CCCC[C@H]23)C(C)C)cc1 604404107 JNOSKHWMPVDLKQ-CAOCKLPOSA-N 427.633 5.078 0 40 IKAB biogenic CC(C)Oc1ccccc1CN1CC[C@H]2[C@@H]1CC(=O)N2Cc1c(Cl)cccc1Cl 1565552928 DOVIEWCDMZOATI-SFTDATJTSA-N 433.379 5.156 0 40 IKAB CN(CCc1ccccc1)C1=NCCCCCCOc2ccccc2Oc2ncccc21 1615141227 GZGXYFIHYHACGC-UHFFFAOYSA-N 429.564 5.748 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037846420 QYDCJFYBPKGEHG-KRWDZBQOSA-N 437.902 5.559 0 40 IKAB CCOc1ccccc1C(=O)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 2037884865 CMEVMXFFXAEODE-UHFFFAOYSA-N 448.607 5.825 0 40 IKAB CC(C)(COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 823357 YARDGUKBJJCSBK-SFHVURJKSA-N 439.364 5.595 0 40 IKAB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 888120 VGAGZTFTAQWTQV-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1 993251 SOMRHNSVELZKAF-HXUWFJFHSA-N 442.559 6.076 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccccc3OC)cc12 1322134 CAUQQZXHAVCQGS-UHFFFAOYSA-N 446.455 5.513 0 40 IKAB biogenic O[C@@H](c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1[C@@H](O)c1ccccc1 1619556 JLPBSURDZWABLC-NSOVKSMOSA-N 432.519 6.777 0 40 IKAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(C(F)(F)F)c1 1902803 QJJHDAIATFKLGS-UHFFFAOYSA-N 438.445 7.010 0 40 IKAB CC(C)CCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@@H]2c2ccc(C(C)C)cc2)C1=O 2092639 ZFLYROOQBJFYQF-IGKIAQTJSA-N 443.591 5.022 0 40 IKAB biogenic CCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2239494 FEQMYOMHLQJLFE-UHFFFAOYSA-N 430.617 6.023 0 40 IKAB O=c1c2cc3c(nc2nc(SCc2ccc(Cl)cc2)n1-c1ccccc1)CCCC3 2394133 RPJMFFPUWFUEMM-UHFFFAOYSA-N 433.964 5.605 0 40 IKAB CSc1nc(NCCc2ccccc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2410194 GQZIRXWXDJOIPP-UHFFFAOYSA-N 448.661 6.303 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OS(=O)(=O)c2cc3nnoc3c3ccccc23)cc1 2557973 FFCUREHGWOIZMD-UHFFFAOYSA-N 444.512 5.470 0 40 IKAB O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1cc(Cl)c(Cl)cc1Cl 3152643 RWCDTINIEYYBJX-UHFFFAOYSA-N 439.962 6.408 0 40 IKAB Clc1ccc(-c2ccc(-c3nn4c(Cc5ccccc5)nnc4s3)o2)cc1Cl 3330721 UBNAXDMTBCAESF-UHFFFAOYSA-N 427.316 6.010 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)s2)c1C 3347195 RBIVAZJWSHIRTI-UHFFFAOYSA-N 439.393 5.936 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3370509 MJENLPPSXMAACP-QGZVFWFLSA-N 433.602 5.588 0 40 IKAB CCCC1CCC(C2CCC(OC(=O)c3ccc(OC(F)(F)Cl)cc3)CC2)CC1 4670595 YDSSSIIROWMOAP-UHFFFAOYSA-N 428.947 7.177 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1C 4903256 JLXNHVDPRMSQRE-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)cc1 6146041 NNTJOBVKVCNQEX-UHFFFAOYSA-N 426.513 5.176 0 40 IKAB COc1ccc(-c2nc(-c3ccc(Sc4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1 8424294 SMWXNKKEMKXUKX-UHFFFAOYSA-N 434.564 7.571 0 40 IKAB CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(Cl)cc1 8598089 WEIGEMCOUNPKRR-UHFFFAOYSA-N 433.021 5.129 0 40 IKAB CCN(CC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 8667766 LJMUOZPCFXRMEY-AREMUKBSSA-N 430.979 6.597 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4Cl)ccc3o2)c1 8831135 MRCVOXJVOLMKQR-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB COC(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 8872447 FOOXVSAVJCNYIH-UHFFFAOYSA-N 442.496 5.080 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1C 8922073 MGUWELGOFQQPJK-SANMLTNESA-N 433.935 5.273 0 40 IKAB COc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 9064739 MJXGFLZZDQKCID-JXMROGBWSA-N 447.343 5.788 0 40 IKAB CCOc1cccc2sc(Nc3nc4ccc5nc(SC)sc5c4s3)nc12 9277683 OJIYMSKDLXGDSJ-UHFFFAOYSA-N 430.605 6.380 0 40 IKAB Cc1ccccc1-n1nc2c(c1NC(=O)C1(c3ccc(Cl)cc3)CCCC1)CSC2 9391571 KHQRZDKCMPZTPR-UHFFFAOYSA-N 437.996 6.031 0 40 IKAB CCOc1cc(C(=O)Nc2nc3ccc4ccccc4c3s2)cc(OCC)c1OCC 9404797 HXHRNDNVMGURFQ-UHFFFAOYSA-N 436.533 5.898 0 40 IKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 9469539 PSUIXKWENIJXIY-UHFFFAOYSA-N 440.878 5.287 0 40 IKAB COc1ccccc1-c1nnc(NC(=O)c2cc(-c3cccs3)nc3ccccc23)o1 9471848 YCCGWENFRUMXBC-UHFFFAOYSA-N 428.473 5.274 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc(-c4ccc(C)cc4)n[nH]3)cs2)cc1 9514789 UUQMULKQBIBDMJ-UHFFFAOYSA-N 435.578 5.019 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 9679127 FHNLYKWOWYHPGB-XMMPIXPASA-N 429.907 5.797 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(Cl)cc1F 9989008 QFRCQVVENZLEND-UHFFFAOYSA-N 428.876 5.051 0 40 IKAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N(C(C)C)C(C)C)c1 12062364 WONILAHBWRWIEP-UHFFFAOYSA-N 425.598 5.161 0 40 IKAB COCc1cc(C)nc2c1C(=O)N[C@@H](c1ccc(Cl)c(Cl)c1)N2c1ccc(F)cc1 12445430 XCFPCVCHWFLMCW-HXUWFJFHSA-N 446.309 5.563 0 40 IKAB O=C(O)c1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 12529404 ZBBHBWFSNUXLEE-VGOFMYFVSA-N 447.288 5.017 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1O 12551264 JCOOESGRKXORAT-ATVHPVEESA-N 436.920 5.843 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 12554268 JGPPATIBWUUTPF-VWLOTQADSA-N 443.572 6.227 0 40 IKAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2csc(-c3ccc(Cl)cc3)n2)C1=O 12569332 BUOCVPOHOPHCNL-HXUWFJFHSA-N 432.332 5.084 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c(C)n1CCc1ccc(F)cc1 12638208 FRYVFLOKSVHRNJ-UHFFFAOYSA-N 449.856 5.458 0 40 IKAB O=C(COC(=O)c1ccccc1NCCC1=CCCCC1)Nc1ncc(Cl)cc1Cl 12651632 DRGFCJSYYUDXTQ-UHFFFAOYSA-N 448.350 5.486 0 40 IKAB Cc1cnc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 12774086 PIIKDAJXFLWQSQ-CQSZACIVSA-N 449.363 5.041 0 40 IKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 12876822 OESKVACCFMXCQV-ISMLOJEYSA-N 429.604 6.003 0 40 IKAB biogenic CCOc1cc([C@@H]2C=C(c3ccc(Cl)cc3)N=C3NC(c4ccccc4)=NN32)ccc1O 13076245 BVBKRZHWQFXOCF-NRFANRHFSA-N 444.922 5.163 0 40 IKAB O=C(Nc1ccc(-c2nccs2)cc1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 13102071 FCHKUBDYZFKMDX-QFIPXVFZSA-N 426.497 5.517 0 40 IKAB CCc1cccc(CC)c1-n1c(SCc2ccc(-c3ccccc3)cc2)nc(O)cc1=O 13133853 SMKUAPPNHJXAGM-UHFFFAOYSA-N 442.584 6.022 0 40 IKAB Cc1ccc(OCCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 13226952 TZXJDGYNUCFJFW-JOCHJYFZSA-N 444.579 5.144 0 40 IKAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 13501120 RUVLJMXLYQKUAT-HSZRJFAPSA-N 448.615 5.224 0 40 IKAB COc1ccc(F)cc1C(=O)COC(=O)[C@H]1CCCC[C@@H]1c1nc2ccccc2s1 14846181 VATXFCPKSCSRMV-HOTGVXAUSA-N 427.497 5.144 0 40 IKAB Clc1ccccc1-c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)o1 15016862 FYDFIXKGEYGTDK-DVECYGJZSA-N 432.932 6.904 0 40 IKAB O=C(Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1)Nc1ccc(F)c(Cl)c1 15880656 CDGHHKMCEKYAFZ-UHFFFAOYSA-N 439.299 5.414 0 40 IKAB Cc1cc(O)c(-c2[nH]nc3c2[C@@H](c2ccc(F)cc2)N(Cc2cccnc2)C3=O)cc1Cl 16995696 UIVXJZOCCAWDMJ-HSZRJFAPSA-N 448.885 5.024 0 40 IKAB O=C(NC(=S)Nc1ccc(F)c(Cl)c1)c1cccc2c(Br)cccc12 17101682 NLXGVDRUEPSNPC-UHFFFAOYSA-N 437.721 5.522 0 40 IKAB Cc1ccc(CN2CC[C@H]3[C@@H](C2)[C@H](c2ccsc2)CN3C(=O)c2ccc(F)cc2)cc1 19210354 LJWGTFNWDAOEEJ-SDHOMARFSA-N 434.580 5.326 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3ccc(Cl)cc3)o2)n1 19929205 SVXXOTGSGGBDHZ-UHFFFAOYSA-N 434.308 5.129 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(OC)cc3)c(NCc3ccccc3)c2c1 22574397 NZKRRXDBPFXWLY-UHFFFAOYSA-N 448.544 5.087 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3nc(CN4CCCC4)cs3)cccc2c1=O 24843247 UAIWUIYJIIORGY-UHFFFAOYSA-N 445.544 5.073 0 40 IKAB COc1cccc(N[C@H](c2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770925 SQUXJPZEBPASBP-XMMPIXPASA-N 443.572 6.222 0 40 IKAB O=C(Nc1cccc(C2SCCCS2)c1)c1cnn(Cc2ccccc2Cl)c1 27131337 MWHMUXMHSRJJKD-UHFFFAOYSA-N 429.998 5.706 0 40 IKAB C[C@@H]1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c2ccccc2S1 28616821 GWCDACMFQCSPLI-GFCCVEGCSA-N 434.348 5.233 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC 30852504 SGGSEQXAERDZEB-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 33386996 JEMOWZDLWVFPQG-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 33413476 HDKFESBXPQIBMC-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 38204418 JBRNEVFTJPFTDM-HBSZIVNGSA-N 428.482 6.402 0 40 IKAB Oc1cc(-n2cnnc2)ccc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 45920477 ZGJBEQBCYUZRAX-UHFFFAOYSA-N 433.265 5.211 0 40 IKAB COc1ccccc1N(Cc1nc(-c2cccc(C)c2)oc1C)S(=O)(=O)c1ccccc1 48989965 HTPMJKNCUAGYGW-UHFFFAOYSA-N 448.544 5.363 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Cc2ccncc2)cc1 57314102 MYDLEWZVKDRBSB-ACCUITESSA-N 439.540 5.459 0 40 IKAB NS(=O)(=O)c1ccc(-c2nc(-c3c(-c4ccccc4)[nH]c4ccccc34)cs2)cc1 72085529 WXORKBDTDXIAKZ-UHFFFAOYSA-N 431.542 5.273 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72214793 UWWNCPCNRABGQH-FQEVSTJZSA-N 425.529 5.317 0 40 IKAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 72285476 UCUDLEVPXNFKND-DQEYMECFSA-N 431.580 5.077 0 40 IKAB CC(C)(C)c1cc(C(=O)CSc2nnc(-c3cccs3)o2)cc(C(C)(C)C)c1O 94992718 AGWWIPKPVSOILX-UHFFFAOYSA-N 430.595 6.074 0 40 IKAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(Cc4ccc(F)cc4)CC3)cc21 96100012 WTCXWEMHWILFHA-UHFFFAOYSA-N 429.543 5.593 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96235940 ZUBWEBYCWRXQJR-GOSISDBHSA-N 434.323 5.168 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)c(OC)c1 102677572 FSDMLDABDRJCRH-VWLOTQADSA-N 434.536 5.906 0 40 IKAB CSC(=S)OCCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926293 GTRLSBCDXSIBTA-GOEQLKSBSA-N 436.771 8.116 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118934548 ZUYKAEVLUWUNMD-OUBJHZQFSA-N 444.700 6.932 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)COc1cc(C)c(Br)c(C)c1 218843955 KZWMZQJSJYGKDW-GOSISDBHSA-N 432.358 5.172 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 222685082 ROQXGSSJFFSDDD-UHFFFAOYSA-N 448.868 6.569 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC(C)(C)C 222701182 WIUJKFWJSDWVBV-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 222805864 UHJHFZXTMRLGRL-RBUKOAKNSA-N 446.345 5.236 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 222890560 GODMKFKOOGCCGQ-VWLOTQADSA-N 438.612 5.083 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223476721 KPWOIXFJDQOBFO-XMMPIXPASA-N 438.930 5.275 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223631899 TWXQHGIURFKLMP-VQTJNVASSA-N 448.375 5.003 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1)c1ccccc1 224008053 MRPKZGBDOAPEAN-NRFANRHFSA-N 442.968 5.330 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccccc1 224269302 ISSKJUBIHMTDSL-VWLOTQADSA-N 436.596 5.020 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 224339983 WHSGWRGAZJPUIB-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 224913350 WZNRQGPFPNMQSK-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 225150545 QETNWNYYIFMLFY-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccncc2)CC1 257231125 GFJJOLZHBSNAQA-UHFFFAOYSA-N 433.621 5.160 0 40 IKAB Cc1csc(Nc2cncc(C3CCN(Cc4ccc5c(c4)CC(C)(C)O5)CC3)n2)n1 257297896 RJGSHEBUXUYFGF-UHFFFAOYSA-N 435.597 5.078 0 40 IKAB CC(=O)Nc1ccc([C@H]2C[C@@](C)(NC(=O)C(C)C)C[C@@H](c3ccc(Cl)cc3)O2)cc1 257312297 UNGJWANFARZDEX-ZDXQCDESSA-N 428.960 5.422 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@H]2c2ccc(Cc3cccc(F)c3)cn2)ccc1F 257313314 URTZCGCWURWANX-SANMLTNESA-N 434.530 5.945 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)c2)cc1 257340560 ZGROGCHBZYHMPO-SFHVURJKSA-N 444.510 5.101 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 260752998 ANNNYZVPTVEBJP-OITMNORJSA-N 439.924 5.283 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3S[C@H]3C=CC=C[C@@H]32)nnc1-c1ccccc1 408534597 TUNMGRZFXWJESQ-ICSRJNTNSA-N 446.601 5.059 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 408563706 OFIYOQLXXMYSHP-UHFFFAOYSA-N 444.015 6.819 0 40 IKAB COc1ccccc1Oc1ccc(C(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 408621742 PJGNPJYCADIEBF-UHFFFAOYSA-N 439.294 7.285 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Sc1nc2ccccc2[nH]1 408632372 FBUZGYAWBJEWHC-ZDLGFXPLSA-N 440.864 5.392 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccc(F)cc2)c1 408694272 IFMQGGDHALCUCM-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408698014 LAGJJGOZKFUJGC-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CC(C)C(NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C(C)C 408704539 PGWSGNTYMSRJLW-DEOSSOPVSA-N 445.028 5.525 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)c2c1 409043096 ZJOUFKCANGXOBA-JWGURIENSA-N 432.545 5.242 0 40 IKAB COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 409173949 PYNZYWXDZJCBSI-VAOGHPRRSA-N 438.571 5.922 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CC[C@@H](O)c3ccccc3)nc2-c2ccccc2)cc1C 409193454 CYQHAIZEEVZPAE-HSZRJFAPSA-N 442.584 6.546 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C1=O 409199382 BZWDZKHZEPSZPE-MOSHPQCFSA-N 433.932 6.285 0 40 IKAB CCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(C)c1-c1ccc(F)cc1 409207361 STEVTSUVBDEXPN-SGEDCAFJSA-N 430.548 5.715 0 40 IKAB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 629944 PMZPXWIWNLLLIZ-LQNXUBFPSA-N 435.520 5.113 0 40 IKAB O=C(CN(C(=O)c1ccccc1)C1CCCCC1)Nc1ccc(Oc2ccccc2)cc1 873651 OMGNXQWOZYDOLT-UHFFFAOYSA-N 428.532 5.893 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1nc(-c2ccc(Br)cc2)cs1 1079220 NVVFMGBYDXZMHV-UHFFFAOYSA-N 439.334 5.743 0 40 IKAB O=C1/C(=C/c2ccc(-c3cccc([N+](=O)[O-])c3)o2)C(C(F)(F)F)=NN1c1ccccc1 1153064 GQTWKJQJEDHWNW-SFQUDFHCSA-N 427.338 5.203 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)c(C)c1 1320599 DLQCEVKTGBXDPF-RUZDIDTESA-N 437.898 5.103 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1OC 1448052 TWWZIQPFPUBQKO-NTEUORMPSA-N 442.467 5.404 0 40 IKAB biogenic CCOC(=O)c1c(Oc2ccc(Cl)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1971307 NMAGTHQJXMWXKJ-UHFFFAOYSA-N 430.891 6.433 0 40 IKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1CCc1ccccc1)CCC3 2278616 MZOSVKLUWHQVIA-UHFFFAOYSA-N 432.614 5.524 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(C)oc2C)sc(C(=O)Nc2ccccc2C)c1C 2769789 DLHULFKLBPGOHL-UHFFFAOYSA-N 440.521 5.256 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(C(C)(C)C)cc(C(C)(C)C)c3)ccc21 3203940 RSTFFIKRFTXUFC-UHFFFAOYSA-N 426.604 7.662 0 40 IKAB O=C(c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12)N1CCCC[C@@H]1CO 3242532 YJXGYGSHACKYBA-CYBMUJFWSA-N 449.765 5.849 0 40 IKAB CCN(C(=O)COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 3255017 IYZMPXRNYDRWKQ-UHFFFAOYSA-N 443.425 5.054 0 40 IKAB Cc1ccc(-n2nc(C)c3c(-c4ccc(Cl)cc4)cc(-c4ccc(Cl)cc4)nc32)cc1 3382985 GIEZXFXLFOSRLW-UHFFFAOYSA-N 444.365 7.678 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccccc3)n2Cc2ccc3c(c2)OCO3)cc1 3439833 OOVPAQUUXYNCJD-UHFFFAOYSA-N 445.544 5.202 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)[C@@H]4CC[C@@]56O[C@@H](CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@@H]2C1)C6(C)C 4972896 JVGFZGDTAYCUDA-PPKVTDPDSA-N 426.729 8.409 0 40 IKAB biogenic CC(C)n1ncc2c(C(=O)Nc3ccc(N4CCCC4)cc3)cc(-c3ccccc3)nc21 7986757 KZCSFRVRJJLOQV-UHFFFAOYSA-N 425.536 5.532 0 40 IKAB COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 8751968 FOKHSMVUVCSTTK-UHFFFAOYSA-N 433.504 5.013 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8871281 XNFIOYMNYIQUGC-LJQANCHMSA-N 445.950 5.657 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc([C@@H]4CC4(Cl)Cl)cc3)o2)cc1 9145864 CYDBQBNXCURYJY-INIZCTEOSA-N 435.332 5.381 0 40 IKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1ccc(-c2cccc(Cl)c2)o1 9282731 JVGOIQYOYZENPJ-UHFFFAOYSA-N 439.968 5.717 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccccc3F)cc12 9293383 ZCEXFAOBAJDSLG-UHFFFAOYSA-N 446.478 5.272 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc(C)c2)cc1OC 9327980 QQJVANBGKSAVQU-UHFFFAOYSA-N 431.513 5.506 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(C3CC3)n2-c2ccccc2)cc1 9376277 ICYSCNZEKZBEDV-UHFFFAOYSA-N 426.545 5.689 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 9385503 QJXJKXZHZFCWMY-UHFFFAOYSA-N 446.942 5.071 0 40 IKAB COc1ccc([C@H]2NC(=S)NC(c3cccc(Cl)c3)=C2c2nc3ccccc3[nH]2)cc1 9402787 WVGJKKHEIFMPHR-OAQYLSRUSA-N 446.963 5.312 0 40 IKAB Cc1oc2cc(O[C@H](C)C(=O)N3CCc4ccccc4C3)ccc2c(=O)c1-c1ccccc1 9446113 YRXINZHWTARJLZ-LJQANCHMSA-N 439.511 5.121 0 40 IKAB Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)c(=O)c3ccccc23)c1 9535132 RNDVDWSQZYBRSK-UXHICEINSA-N 437.543 5.219 0 40 IKAB COc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)sc2c1 10254377 HGXDBPYQLYWUOQ-UHFFFAOYSA-N 435.574 5.198 0 40 IKAB CCc1ccc(-n2nc(C)c(=O)c(-c3ccc(OC)cc3)c2NC(=O)c2ccccc2)cc1 11692015 YXDZDYRACQXWEZ-UHFFFAOYSA-N 439.515 5.031 0 40 IKAB O=C(Nc1ccc(Oc2ccc3c(c2)OCO3)cc1)C1c2ccccc2Oc2ccccc21 12377282 IJZWUWBCKHTHHO-UHFFFAOYSA-N 437.451 6.084 0 40 IKAB C[C@H](Nc1ccc(N2CCCCC2)cc1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 12535005 ODLFGKBQTRKFHJ-HNNXBMFYSA-N 436.606 5.877 0 40 IKAB Fc1ccc(/N=c2\scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1 12559499 AKBZGNFXWUWXDH-ROMGYVFFSA-N 429.347 6.943 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1ncnc2c1cnn2-c1ccccc1 12817712 TXKJSDRUEMTQCW-DLBZAZTESA-N 431.565 5.448 0 40 IKAB Cc1nc2cc(NC(=O)c3ccccc3SCC(=O)N3CCc4ccccc43)ccc2o1 13121575 NOVHAOHUFOZKRR-UHFFFAOYSA-N 443.528 5.070 0 40 IKAB FC(F)Oc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 13306516 SNLYZTBTWYZRKT-UHFFFAOYSA-N 436.508 7.096 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(OCC)cc1 13497920 SHBYQTPVJZBJGK-DEOSSOPVSA-N 442.625 5.118 0 40 IKAB COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(OC)c(OC)c4)c(C)c3c2)c1 15729519 JOKJHAKLUSNEJQ-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 15912025 CNBYSYJODWNUME-CALCHBBNSA-N 432.659 5.317 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)CCC)cc3n2)cc1 16193196 ILDULJYCBRGTRG-UHFFFAOYSA-N 429.977 5.030 0 40 IKAB CC(C)(C)C1=NN(c2ccccc2)C(=O)[C@H]1[C@@H]1C(=O)N(c2ccccc2)N=C1C(C)(C)C 16322747 HVUYFELWXZRABM-PMACEKPBSA-N 430.552 5.117 0 40 IKAB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17098349 QGQSYIBXMBIALJ-UHFFFAOYSA-N 433.360 6.504 0 40 IKAB COCCn1c(C)c(CN2CCC[C@@H]2c2cc(-c3cn[nH]c3)cc(C)n2)c2ccccc21 19690839 HBJSYBFHZATJEJ-AREMUKBSSA-N 429.568 5.027 0 40 IKAB CCc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20460307 HCAPIFJCZCCPER-LJQANCHMSA-N 444.575 6.205 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc3S2(=O)=O)cc1 21117358 GTVUTKWRAASGRQ-UHFFFAOYSA-N 446.450 5.349 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=S)NC(=O)c1ccccc1F 22528089 ZAUIXLZHVCVWSS-UHFFFAOYSA-N 449.507 5.386 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 23907545 RWMMSIPIJAPGAL-UHFFFAOYSA-N 439.481 5.223 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 24993285 GAJBUBVKRHYJHW-UHFFFAOYSA-N 437.543 5.534 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c(C)c1 25424948 IZGRXEKJEADKMT-UHFFFAOYSA-N 437.584 6.490 0 40 IKAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4ccc(Cl)cc4)nn32)cc1Cl 32102866 IFXKDHLGOOATTI-MRXNPFEDSA-N 445.306 5.345 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 33397882 KDZTXRSPNDAKPM-UHFFFAOYSA-N 431.989 5.246 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OCC 34857045 WSRVPEBLDDMTNN-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB Cc1nn(C)cc1-c1nn(Cc2ccc(Cl)c(Cl)c2)c(-c2cn(C)nc2C)c1Cl 36611551 CIVCTTPNHSYNSR-UHFFFAOYSA-N 449.773 5.309 0 40 IKAB Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccccc3C)CC2)cc1 39976108 AUXOYIKWLFHDHA-UHFFFAOYSA-N 426.560 5.389 0 40 IKAB COc1cccc(-c2cc(=O)n3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c3n2)c1 40484677 RVJVVOSPXQZSSZ-UHFFFAOYSA-N 449.432 5.392 0 40 IKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 44872742 CHGHGRCHJMNNKM-UHFFFAOYSA-N 446.616 5.384 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 57315825 CTJXUHKFLJAPKQ-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB Cc1ccccc1[C@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)C(C)C 58268820 FJVYBCAVWLINKA-HHHXNRCGSA-N 447.582 6.852 0 40 IKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 71761789 ZKTNJXKEOLIFHH-UHFFFAOYSA-N 438.018 5.022 0 40 IKAB Cn1cc(C(=O)c2ccccc2)cc1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 95933045 OWFKCRRLJZKCAQ-UHFFFAOYSA-N 449.598 5.163 0 40 IKAB C[C@H](N[C@@H](C)[C@@H]1CCN(Cc2ccccc2)C1)c1nc(-c2cccc(C(F)(F)F)c2)no1 95994645 DPHYODNXHRBPLX-ABSDTBQOSA-N 444.501 5.317 0 40 IKAB CC(C)(C)S(=O)(=O)[C@@H]1CCN(C(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)cc2)C1 96120075 JKXFHYLTQWSJTO-QGZVFWFLSA-N 440.392 5.088 0 40 IKAB Cc1c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n(-c2ccccc2)n1C 100500446 YSDKLJLQBNLZIB-RQZHXJHFSA-N 438.556 5.236 0 40 IKAB Clc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 106982766 RUQRFYWEBOHWAS-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4cccc(Cl)c4)c3)o2)cc1C 107899520 RLYOPHGWQDZAFO-UHFFFAOYSA-N 444.918 6.721 0 40 IKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cc(-c2ccco2)on1 208005302 SDPQGTRVRWTZPY-UHFFFAOYSA-N 429.461 5.449 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(C)c(C)c1 218799756 WJRXGVXPOPAVIX-NRFANRHFSA-N 442.606 5.071 0 40 IKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223368019 GSXKEYICKXMFPL-MHZLTWQESA-N 444.575 5.142 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)cc1C 223964109 WKZUPMZURHFBKQ-JOCHJYFZSA-N 440.540 5.124 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccc(C)cc1 224140416 YRSBTDCVDDXKMD-XMMPIXPASA-N 436.577 5.010 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224154058 NKNMWEDMTIJWQA-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c(OC)c1 224159456 BVEFOBLJMVCUOY-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 224346920 KDQKEXDEOOKGQK-JWQCQUIFSA-N 439.588 5.066 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1cc(C)cc(C)c1 224534660 IHPKMDCAZWMOHD-UHFFFAOYSA-N 433.504 5.320 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961358 UCBVAJBQIDPSNF-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2c(Cl)cccc2Cl)sc2c1CCCC2 225351198 SYRUCCIEZSCHEC-UHFFFAOYSA-N 426.365 5.682 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225459796 XKXVTVJQVSIILZ-GCJKJVERSA-N 447.044 5.295 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 225675502 IWTLETPRNFCTLA-LJQANCHMSA-N 445.003 5.032 0 40 IKAB C[C@H](O)c1ccc(C2(CNC(=O)CCc3ccc(C(F)(F)F)cc3)CCCC2)s1 225683060 ABYINJDOSOZLER-HNNXBMFYSA-N 425.516 5.381 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCOCC2)c2ccccc12 225781910 KPOBTJOEHHZWLC-IBGZPJMESA-N 433.548 5.713 0 40 IKAB CCCOc1ccc(C)cc1-c1ccc(C(=O)N(C)CCO)c(CCc2ccccc2)c1 257235268 GXCMXHSDQGHWCP-UHFFFAOYSA-N 431.576 5.300 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc(OC(C)C)cc2)cc1 257294989 QWNKTJLAFCQJAG-UHFFFAOYSA-N 433.504 5.302 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(C(=O)NC2CCCCCCC2)cc1 408629463 BPMXDWBRYHUAGP-UHFFFAOYSA-N 449.016 5.149 0 40 IKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Br)cc2)cc1 408692415 LZMUHYDRJVVMBO-UHFFFAOYSA-N 439.357 5.068 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(Cl)c2)cc1 408697836 KBJIVIICRWHNOB-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408699453 UIDSHZLJURDPBF-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(Br)c3)C(=O)[C@H]12 408719702 PHMGYUJPBKWGNV-LQDNNDEMSA-N 444.328 5.020 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)o2)cc1C 409019127 VWICEMNFPCBXKO-UHFFFAOYSA-N 445.972 5.255 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409080728 MKUJJWUAZNOXIH-RZCBTRPQSA-N 445.562 6.035 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409141067 TZUSGCKNFBKENV-CJLVFECKSA-N 432.951 5.905 0 40 IKAB CCOc1ccc(Br)cc1C[C@@H]1SC(=O)N(c2ccc(Cl)cc2)C1=O 409146616 RJWADOXBQKTRJF-INIZCTEOSA-N 440.746 5.312 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)c(C)c3)C2=O)c2ccccc12 409167234 HZCKTQOAWGEICX-LPYMAVHISA-N 446.528 5.140 0 40 IKAB Cc1ccc2cccc(OC(=O)c3ccc(COc4ccc(Br)cc4)cc3)c2n1 409176883 ZXLPAXTXHAPOQH-UHFFFAOYSA-N 448.316 6.104 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2c(Cl)cccc2Cl)CC1 409178255 LPJZWWIOUPRDME-UHFFFAOYSA-N 443.827 5.537 0 40 IKAB CN(c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 409259616 BKPAZKCJAZJGMN-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c(C)c1 409351409 UPCMXORPPVQFIC-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 409381829 NYZJXSHIGCBNHV-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c(C)c1 1858110 LBKKLOYWJTVXAW-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB O=C1N2c3ccccc3S[C@H](c3ccccc3)C[C@]2(c2ccccc2)C1(Cl)Cl 2057579 JDCYQYZPZYWWID-UNMCSNQZSA-N 426.368 6.340 0 40 IKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(NC(C)=O)cc3)c2)cc1 2091839 NHNKSXSYZLCEDI-RMLRFSFXSA-N 442.515 5.925 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2c(C)cc(C)cc2C)CO4)cc1 2115514 GVOHSBYUVDJLEV-UHFFFAOYSA-N 441.527 6.059 0 40 IKAB biogenic Cc1ccc(C(=O)N/C(=C/c2cccc3ccccc23)C(=O)Nc2ccc(Cl)cc2)cc1 2157227 BQMLQUNENOJSDS-KOEQRZSOSA-N 440.930 6.211 0 40 IKAB Cc1nc2sc3c(SCc4ccccc4Cl)ncnc3c2c2c1COC(C)(C)C2 2246746 LXIMPTXQKCNVGM-UHFFFAOYSA-N 442.009 6.345 0 40 IKAB Cc1ccccc1CSc1nnc([C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)o1 2373470 HQTDFBUWKOUYSX-IBGZPJMESA-N 425.554 5.479 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4c(C)cc(C)cc4C)c23)cc1 2393681 IJLPGBHBNCYARB-UHFFFAOYSA-N 433.602 6.323 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)n1 2414126 XDJRQZMZOUSGSP-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB C[C@]1(c2ccc(Cl)cc2Cl)NC(=O)N(Cc2csc(-c3ccccc3)n2)C1=O 2658332 DYOMKSKGMQGFNN-HXUWFJFHSA-N 432.332 5.084 0 40 IKAB Cc1ccc(C)c(NC(=O)CSC2=N/C(=C/c3ccc(C)s3)C(=O)N2CC(C)C)c1 2786045 ZFZUHUMZGKOGHZ-RGVLZGJSSA-N 441.622 5.240 0 40 IKAB CC[C@@H](C)c1ccc(-c2c(C)sc(NC(=O)c3cc(C)on3)c2C(=O)OC(C)C)cc1 2801780 MJOMTHNMGORLLP-CQSZACIVSA-N 440.565 6.351 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc2c(c1)OCO2 2970027 XYYBFHVOBHABJF-UHFFFAOYSA-N 436.920 5.119 0 40 IKAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)n(-c2ccccc2)n1 3217009 GDPYUYULDFKPBJ-UHFFFAOYSA-N 447.951 5.795 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3OC(F)F)s2)c(C)c1 3283551 XXSHGLPMSGSTKO-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB C[C@@H]1CCc2c(sc3nc(COC(=O)c4ccccc4Nc4ccccc4)[nH]c(=O)c23)C1 3304209 WKJXGKNNJVJBBK-OAHLLOKOSA-N 445.544 5.210 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)c2c3c(sc2n1)CCC3 3307852 JCQNNFGGHWFIAC-VIFPVBQESA-N 438.405 5.915 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)Nc1ccc(Cl)c(Cl)c1 3317643 BWMQGUMXGBYEOG-UHFFFAOYSA-N 449.142 6.310 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N3CCCc4ccccc43)c2)cc1 3380567 NNUWLZNJYNJEPP-UHFFFAOYSA-N 448.588 5.378 0 40 IKAB CCc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655609 UEKWBKAEKZIFJQ-MRXNPFEDSA-N 447.918 6.286 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 8448751 VQBDRZPJWVCJKE-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4nnc(SCC(C)C)s4)c(N)c3cc2C1 8451062 OLUPVAHCTTUVNS-NSHDSACASA-N 447.655 5.245 0 40 IKAB CCCCCN(CCCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1cccc(Cl)c1 8452933 RFFPEWJSLZLZIC-CLCOLTQESA-N 438.015 6.766 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)cc1 8752255 CTVIRQMDPSVJJU-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)c3)nc2c1 8831968 MIDYNFCNRJGISA-UHFFFAOYSA-N 441.314 6.625 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C)c1nc2ccccc2c(=O)[nH]1 8888022 PGBAWKOSYNMYFQ-GUXCAODWSA-N 446.580 5.181 0 40 IKAB CC[C@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1nc(-c2ccccc2)cs1 9191687 YHBQUAXVVHHDJE-IBGZPJMESA-N 436.562 5.329 0 40 IKAB CC(C)(C)[C@H]1CCc2sc(-c3nnc(CSc4nnc5ccccn45)o3)cc2C1 9222619 BZQCCAMBYTWRJV-AWEZNQCLSA-N 425.583 5.284 0 40 IKAB CC1=NN(c2nc(-c3cccc(Br)c3)cs2)[C@@H](c2ccc(Cl)cc2)C1 9305039 JPNOYBBAHPFMPJ-GOSISDBHSA-N 432.774 6.553 0 40 IKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3Cl)c3ccccc32)cc1C 9391936 OAXSYOBUQWAJRH-UHFFFAOYSA-N 449.019 6.634 0 40 IKAB Cc1ccc([C@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 9451663 BZUZWTCWFHSDQP-FQEVSTJZSA-N 442.910 5.175 0 40 IKAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccsc2)n1 9494048 AWIYPRDMMWRSFJ-DEOSSOPVSA-N 445.569 5.062 0 40 IKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1ccc(Cl)c(Cl)c1 9667623 CSAYOWUEBNTAAG-UHFFFAOYSA-N 429.901 6.408 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(Br)s1 9745785 ADUUJNSCDZBHBL-UHFFFAOYSA-N 426.386 5.141 0 40 IKAB COc1ccc2cc(CN(C)C(=O)CN3CCC[C@@H]3c3nc4ccccc4s3)ccc2c1 9782278 OHPIJQATKQRXDZ-HSZRJFAPSA-N 445.588 5.254 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc2ccccc2c(=O)n1C1CCCC1 10142089 ZMDHLUQRBMDDRE-RBUKOAKNSA-N 449.620 5.130 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccco2)cc1 10215107 LNTNLAJINDHWHT-SIKLNZKXSA-N 439.309 5.683 0 40 IKAB COC(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(SC)cccc3s2)cc1 10820475 PVZKYWHAJMHJPN-UHFFFAOYSA-N 438.530 5.245 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)c1 10916882 KHDPXMSWRMAXPW-UHFFFAOYSA-N 431.359 5.016 0 40 IKAB CCc1ccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Br)cc1 11916324 LZGPURMRQYHKAH-UHFFFAOYSA-N 442.382 5.655 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 12901695 BFTKDPNNSZJKIP-ZFAMYZPZSA-N 437.568 5.161 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)Nc1nnc(SCc2ccc(Cl)cc2)s1 12901886 FBLZQUFJYYSKRV-UHFFFAOYSA-N 448.982 5.382 0 40 IKAB O=C(NCc1ccccc1)c1cccc(Oc2nc(-c3ccncc3)nc3ccccc23)c1 12914472 FLRWALWISQZGAN-UHFFFAOYSA-N 432.483 5.414 0 40 IKAB COc1ccc(-n2ccnc2SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 13284025 LDNSHWMWSTZMGN-UHFFFAOYSA-N 441.862 5.284 0 40 IKAB Clc1cccc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)c1Cl 13533560 ISGPKGRJDDLULB-UHFFFAOYSA-N 444.159 7.480 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccc(F)cc3)c2)cc1 13628730 IEJKIECMPIPKQH-UHFFFAOYSA-N 449.551 5.502 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13768364 JNBFYKPRYOJVCI-AUSIDOKSSA-N 439.298 5.964 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2CC)cc1 13871523 MGHUXWZLQIMMDS-OAHLLOKOSA-N 444.988 5.385 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)c3)nc2c1 14272298 KUXYWLFPUTZWCN-UHFFFAOYSA-N 444.384 5.875 0 40 IKAB O=C(Nc1cc(F)ccc1F)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 15005464 RKQDZAOTZGGGQF-UHFFFAOYSA-N 429.470 5.324 0 40 IKAB COc1ccc(CCN(C)C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)cc1OC 15846541 FJEFRCCYSAKBCP-UHFFFAOYSA-N 430.504 5.135 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNC1C2CC3CC(C2)CC1C3 16688065 IAYJKRBFTBCVGC-UHFFFAOYSA-N 443.223 5.525 0 40 IKAB COc1cccc(-c2nn(Cc3cc(C)ccc3C)c(-c3cccc(OC)c3)c2Cl)c1 17098260 BRAQQVZLPJPKBY-UHFFFAOYSA-N 432.951 6.553 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19647871 DYPGOOWQUOSTJL-WGDIFIGCSA-N 448.588 5.257 0 40 IKAB COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2Cc2ccc3ncccc3c2)c1 19689519 GNGMYYMCVGYKLI-VWLOTQADSA-N 439.563 5.104 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccc(C)cc1 20367349 MEGFRALQKJWJLX-UHFFFAOYSA-N 426.000 6.150 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 20460273 BSJIOUCBAIEOPW-JYFHCDHNSA-N 448.588 5.571 0 40 IKAB Fc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 20509874 FSCJQHMKEUZDGN-NRFANRHFSA-N 443.341 5.864 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 20610996 JOFJWHSDJQHKRA-AWNIVKPZSA-N 430.939 6.158 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 22964107 VPOQGUPZJYOMBF-NRFANRHFSA-N 443.528 5.333 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3nnc(C(C)C)s3)[C@@H]2c2cccs2)cc1 25323892 ZTZRDJVYJOUDGD-VQIMIIECSA-N 440.594 5.154 0 40 IKAB O=C(c1ccccc1)N(C[C@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 26131634 GWCNQFAAEHTVHD-GOSISDBHSA-N 432.467 5.655 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1 26688101 PZSLBUGXMPYPSR-UHFFFAOYSA-N 443.996 7.061 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 30849427 OGTJEOBPDSAKHT-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 30862814 ZTEKGCIRBSGBDQ-VWLOTQADSA-N 430.548 5.698 0 40 IKAB Cc1ccc(Nc2nc(Nc3cc(Cl)ccc3Cl)nc(N3CCOCC3)n2)cc1C 32604890 HOGYPNBUIQVTSV-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB COc1cccc(-c2csc(-c3cc(NC(=O)C45CC6CC(CC(C6)C4)C5)n(C)n3)n2)c1 35683035 SOZCHZHATOAMHG-UHFFFAOYSA-N 448.592 5.374 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 44842591 FQEPZBVFJSESAK-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCOc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 46012327 IEOUSTHVARDXRK-UHFFFAOYSA-N 449.894 5.473 0 40 IKAB Cc1ccc(-c2csc(-c3nnn(-c4ccccc4Br)c3N)n2)c(C)c1 49001881 ADKCOAMTIAKGQR-UHFFFAOYSA-N 426.343 5.019 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)o2)c1 58162735 DBTYQBHLOLWNTL-OLZOCXBDSA-N 437.594 5.610 0 40 IKAB COC(=O)c1sc(N2CCC(c3nc4cc(Cl)ccc4s3)CC2)nc1Cl 58402433 QOEOLETUABLWHK-UHFFFAOYSA-N 428.366 5.230 0 40 IKAB O=C(NCCOc1cccc(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 58969213 BUVHXJYUIDODKH-UHFFFAOYSA-N 444.240 5.007 0 40 IKAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396397 XFVYARYVZNUMFV-OAQYLSRUSA-N 441.579 5.346 0 40 IKAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)nc2ccccc12 100658025 SGEBDBAOBHFETF-OYRHEFFESA-N 435.612 5.297 0 40 IKAB Cc1ccc(C(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)N[C@@H]2c2ccccc2F)cc1 102429806 VMKHXZYXIDXLPX-XZOQPEGZSA-N 430.479 5.048 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1cc(Cl)cc(Cl)c1 102723264 VFLVERBIEIQBPN-PCCBWWKXSA-N 439.298 5.045 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 106738705 ZLUFPUXVMJMTCL-UWVJOHFNSA-N 431.897 5.092 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2)cc1 107038877 UZSRXYVSQSCWGE-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CC(=O)O[C@H]1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@H]12 118927812 VTTIIPCPXXZOKN-HBQODBAGSA-N 444.700 7.218 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1 216249879 APPHQDNTRURYPC-RDGATRHJSA-N 434.561 5.243 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 218814814 IESFCALQIFAODP-UHFFFAOYSA-N 432.701 5.912 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 222506904 MJCOIUFTYPSKNS-OAQYLSRUSA-N 433.017 5.073 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222909080 DYUQFSBZFIGBDJ-RTWAWAEBSA-N 433.606 5.111 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223107090 DRBWDMMSPVUEHE-RPBOFIJWSA-N 445.636 5.244 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C 223367845 VAHQGKNMOUPOEW-PZJWPPBQSA-N 426.576 5.356 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 223373319 VLHDJCHLDVAPIK-FGZHOGPDSA-N 445.617 5.118 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Cl)cc1Br 223971202 DFTTXNMGEQTZQZ-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224021059 GMHKGMDEIZFGMX-RUZDIDTESA-N 448.994 5.049 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccc(C(C)(C)C)cc1 224185971 IQIKZEDXTFZANN-UHFFFAOYSA-N 447.531 5.230 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@@H](CC(C)C)c2ccccc2)cc1NC(=O)C(C)C 224332407 WWHZZIUAPJHXMF-IBGZPJMESA-N 434.627 5.069 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224550020 FAMUTDBUYVMWQN-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224765982 YVRQPBLMPZDZFT-RUZDIDTESA-N 448.994 5.047 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224847788 UMACERNZQCHYPP-RUZDIDTESA-N 448.994 5.047 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1 225005051 OIZCGXZETIJSHG-XMMPIXPASA-N 438.637 5.176 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1C1CCCC1 225025461 KVCXLJVVIBZWBR-FTJBHMTQSA-N 438.600 5.941 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225103888 QXOKWZISTMFGSX-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225223325 JHYUQRVUYOBTKR-JOCHJYFZSA-N 445.003 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225354278 AIXJGPAIPFJLNB-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 225577556 DHARIPJCEQZYFC-ZJSXRUAMSA-N 438.612 5.021 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225717969 SZJIWBQAHAWCLR-QFIPXVFZSA-N 447.044 5.544 0 40 IKAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 225824313 YCXGDJMPWKZXRQ-JOCHJYFZSA-N 442.603 5.641 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c(Br)c1 227157446 FPFFICIQJGIAAK-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]2CC[C@]2(C)[C@H](OC(=O)c4ccccc4)CC[C@H]32)C1 253499683 MCVIVMYFDOKJSH-GNRDPXJSSA-N 438.608 6.186 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3nccc4ccccc34)CC2)n1 257200732 AERCUMDQLWNKKH-UHFFFAOYSA-N 441.510 5.236 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(C)cc1 408553860 PYAQNHGLELYBGL-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COC(=O)c1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc(C(=O)OC)c1 408563125 JDQPDFYNOYFSCT-RCCKNPSSSA-N 449.890 5.093 0 40 IKAB Cc1cccc(CSc2nc3ccc(NC(=O)c4ccccc4C(=O)O)cc3s2)c1 408751002 VFQZHYVXFHXIDA-UHFFFAOYSA-N 434.542 5.848 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)O)ccc4C)o3)S2)cc1 408785092 FWFWSVWQKUAMQZ-NIQJEMAJSA-N 434.517 5.115 0 40 IKAB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c2ccccc2n1C 408810297 IPNKNKMUWUSJHP-CLFKFXSOSA-N 444.624 6.541 0 40 IKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C\c1ccc(Cl)c(Cl)c1 408972050 RGKLTTMRLBREJJ-MLPAPPSSSA-N 443.138 6.859 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409011746 IHMKSYZRZXNWTC-MDBUFAAASA-N 436.360 6.407 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc(Cl)c1 409106947 QCBYREMBDWLACF-YVLHZVERSA-N 433.678 6.004 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(C(=O)O)cc2)C1=O 409200830 JYQNTFLGMSBFEJ-ZHZULCJRSA-N 425.506 5.190 0 40 IKAB COc1ccc(-c2noc([C@H](NC(=O)c3ccc(Cl)c(Cl)c3)C(C)(C)C)n2)cc1 585152305 NBFKWNKXNPHVFE-KRWDZBQOSA-N 434.323 5.569 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2c2nc(-c3ccncc3)cs2)cc1 1857777450 YYORGGAMBAZQIJ-HSZRJFAPSA-N 446.963 6.223 0 40 IKAB Cc1ccc(N2C[C@H](CC(C)C)N=C2C2=N[C@@H](CC(C)C)CN2c2ccc(C)cc2)cc1 2382215951 MAXOSVLQOCQDPA-ZEQRLZLVSA-N 430.640 6.270 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccncc1 664025 LYATYAJNBRYQBQ-UHFFFAOYSA-N 436.368 5.034 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 842033 RGNXWIPNUYECGQ-YCIYHOANSA-N 434.322 5.564 0 40 IKAB CCCCCCc1c(C)c2ccc(OCc3cc(OC)c(OC)c(OC)c3)cc2oc1=O 2134246 FAKFLVVQEVFLPO-UHFFFAOYSA-N 440.536 5.829 0 40 IKAB biogenic CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)cnn23)cc1 2331620 WIBCXJTUAZFJPJ-UHFFFAOYSA-N 433.943 6.049 0 40 IKAB COc1ccccc1[C@H](Nc1ccccc1)[P@@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2399372 PSXLHQDLGZZANL-NJHZRGNWSA-N 438.508 5.901 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 2415047 RQOUFBGHBJNKPB-UHFFFAOYSA-N 438.578 5.250 0 40 IKAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccccc1Cl 2415428 WBAHFOSUNVYVKB-UHFFFAOYSA-N 427.895 5.467 0 40 IKAB CCOC(=O)c1c(NC(=O)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 2543589 SWGAAHZRVDVRKM-UHFFFAOYSA-N 428.432 5.346 0 40 IKAB COc1ccc(-c2cc(=O)c3c(OC)c(OC)c(OC)cc3o2)cc1OCc1ccccc1 2566157 IKRWNGHEONTZGI-UHFFFAOYSA-N 448.471 5.073 0 40 IKAB in-vitro C[C@@H](OC(=O)c1ccc(Br)o1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3233155 XJQXHLRMHUTPEJ-ZCFIWIBFSA-N 441.492 5.186 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S 3259374 COXAQTAYYXUWOZ-DENIHFKCSA-N 426.674 6.573 0 40 IKAB Cc1ccc(-c2csc(=S)n2CC(=O)OCc2ccc(Br)cc2)cc1 3334179 UXXIVFAHXMCWMF-UHFFFAOYSA-N 434.380 5.760 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1C 3379169 OKAARQHDNMJTOA-CMPLNLGQSA-N 439.368 5.048 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)c1C 3410908 BXWZLWNGRYCPNB-UHFFFAOYSA-N 430.533 5.057 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)cc1 3445279 OOZQRTXMCUPBLX-UHFFFAOYSA-N 439.924 5.094 0 40 IKAB O=C(c1cccs1)c1noc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 3848881 GNLOPVXJTDDJIC-UHFFFAOYSA-N 429.906 5.120 0 40 IKAB biogenic CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)C(C(C)=O)=C(c4ccccc4)C[C@H]32)C1 4025729 WAVPHEOFLPWMCI-JDCVRFKPSA-N 432.604 6.534 0 40 IKAB biogenic COc1cccc([C@@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3nc4ccccc4n32)c1 4786964 DNZAUNVIOKZOEV-RUZDIDTESA-N 438.531 5.589 0 40 IKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 4889980 ZISJIVGXAZJIDZ-QFIPXVFZSA-N 431.580 6.177 0 40 IKAB Cc1ccc(-c2csc(S[C@H]3C(=O)N(c4ccccc4)N=C3c3ccccc3)n2)cc1 8437570 NANPFPADTQSKAQ-HSZRJFAPSA-N 441.581 6.030 0 40 IKAB CCCCCCc1cc2cc(-c3cn4c(n3)sc3cc(OC)ccc34)c(=O)oc2cc1O 8441045 KUBYSIYOOYVPPQ-UHFFFAOYSA-N 448.544 6.159 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 8685788 JXKXEMGLBLXPFE-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1cccs1 8693896 WLKIXCIDAIQLDG-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccoc2C)n1Cc1ccccc1 8709242 NARYCEMMBIIRGW-UHFFFAOYSA-N 447.560 5.788 0 40 IKAB O=S(=O)(NC[C@H](c1ccsc1)N1CCCCCC1)c1ccc(-c2ccccc2)cc1 8901736 HQTVWZPLGRCIAJ-XMMPIXPASA-N 440.634 5.311 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@]1(COC(=O)C1)O2 8952590 CVOGMLCVYFNXLE-JHYCTVQASA-N 440.580 5.188 0 40 IKAB biogenic CCc1ccccc1NC(=O)[C@@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 9056664 XISQUFYSDMNNIZ-ZEQKJWHPSA-N 428.532 5.381 0 40 IKAB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([C@@H]2CC2(Cl)Cl)cc1 9145289 NLRWDTFMLMUZTF-KRWDZBQOSA-N 432.376 5.042 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9315564 DQHDVALQLVQJIV-HXUWFJFHSA-N 428.557 5.748 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1 9456123 VZULNPVBLXQLFN-UHFFFAOYSA-N 441.560 5.428 0 40 IKAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCC4)cs2)cc1 9623038 XIBBVTIRIUFDBI-UHFFFAOYSA-N 440.590 5.123 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9669578 WAAKCHNQRXOLGK-FGZHOGPDSA-N 431.561 5.314 0 40 IKAB Cc1cc(C(=O)O[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)no1 9864246 NRCZEDGTHCQXAR-QGZVFWFLSA-N 438.789 5.192 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nc(Cc3ccccc3)c(C)[nH]2)cs1 9946492 YMUSJZSDALWFIW-UHFFFAOYSA-N 434.590 5.742 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)Cc1ccc(OC)cc1 10245841 WMNUXPAAAZPKFC-UHFFFAOYSA-N 444.487 5.274 0 40 IKAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)c1 11915823 GDUOHTZJHYXQKH-UHFFFAOYSA-N 437.455 5.901 0 40 IKAB CN(Cc1ccccc1N1CCOCC1)C(=O)CSc1cccc2cccc(Cl)c12 12587775 NKHVMOPGGHEVHR-UHFFFAOYSA-N 440.996 5.081 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12622860 ITWORVGPMIAHMC-JTQLQIEISA-N 441.771 5.343 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 12706385 PMUZPYQBEBVNRK-UHFFFAOYSA-N 447.579 5.198 0 40 IKAB COc1ccc(CN(C)C(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F 13127076 YMQBDIROHGGTAR-UHFFFAOYSA-N 435.524 5.080 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)c3ccc(-n4nc(C)cc4C)cc3)s2)cc1 13165356 XCPQYKBYIDPMJP-UHFFFAOYSA-N 435.578 5.194 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1ccccc1 13498142 YDDAXCBKZBBAGF-DEOSSOPVSA-N 436.552 5.263 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[nH]c(=O)c23)C1 13941841 OWDIWCMLJNWJJP-ZDUSSCGKSA-N 438.980 6.716 0 40 IKAB O=C(CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)NCCC1=CCCCC1 13945798 KWZJNPLRFZQTOY-AREMUKBSSA-N 427.548 5.110 0 40 IKAB CCCN(C(=O)c1cc2c(=O)n3ccccc3nc2s1)c1cc(Cl)cc(Cl)c1 15441496 WDBJUYOQOZDZAO-UHFFFAOYSA-N 432.332 5.273 0 40 IKAB CCc1ccc(N[C@H](CC(=O)c2ccc(F)cc2)c2ccc(Br)cc2)cc1 16161801 ZGHZZVCQKIQRDN-JOCHJYFZSA-N 426.329 6.577 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OCC 16751104 JVYSRRWIBUZDQB-QHCPKHFHSA-N 435.520 5.326 0 40 IKAB CCc1ccccc1Nc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)c2sccn12 19523100 LMRPOANIJMMTBF-SFHVURJKSA-N 431.565 5.117 0 40 IKAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)ccc1O 19561508 JLRZKFNKGWEFAF-HXUWFJFHSA-N 438.524 5.190 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 19708175 AKUKKJZGLRSYHL-UHFFFAOYSA-N 433.602 5.036 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)cc(Cl)c1 20061612 QBLDCHSQRWMCGA-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)o2)cc1Br 20197046 DWSTUSWXCBYKQH-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 20289829 LDZZMZMQFXPGKV-UHFFFAOYSA-N 433.964 5.321 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3o2)cc1OC 20412029 KCFCDPKITNPHOK-UHFFFAOYSA-N 446.503 5.653 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 20455231 WPOHJWROVVTLDB-UHFFFAOYSA-N 442.968 5.691 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 25518297 AHZCILGLJXHBPD-IBGZPJMESA-N 436.533 5.182 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 27520968 SFYSJPYJNRRUPJ-BZZOAKBMSA-N 430.305 6.279 0 40 IKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)cc1 30855305 UAAQKYHRZKXQPJ-IBGZPJMESA-N 428.326 5.257 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)c(Cl)c2)cc1 30868832 KGUYARIYCJGLQZ-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2C)c1 35176742 NWPRFDYWODXWND-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1ccc(Cl)cc1 39768820 VZHZMNKSMZJDEY-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3[nH]c4ccc(Br)cc4c3Cl)cnc21 40149061 GDANKVDNSYMEGT-UHFFFAOYSA-N 432.709 5.162 0 40 IKAB COc1cc(C)ccc1OCCSc1nc2ccccc2n1Cc1ccc(Cl)cc1 41076881 VUASLEQIZOVFSX-UHFFFAOYSA-N 438.980 6.226 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)c1 49001786 MUPVGFYLCGAQIK-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB Cc1cc(NC(=O)Cc2noc3ccccc23)n(-c2cc(C(F)(F)F)ccc2Cl)n1 58113145 TZRPRWBPZQPSJK-UHFFFAOYSA-N 434.805 5.175 0 40 IKAB COc1ccc(NC(=S)N/N=c2/oc3c(C)c4oc(C)c(C)c4cc3c(C)c2C)cc1 70655967 LRGGICVJMLRWDL-WNAAXNPUSA-N 435.549 5.532 0 40 IKAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77177477 VIMHSMMICINXDD-INIZCTEOSA-N 434.496 5.019 0 40 IKAB CCOc1ccc2c(c1)nc(SCc1ccccc1OC)n2Cc1ccccc1OC 82086814 LIWPRNOWONWRRI-UHFFFAOYSA-N 434.561 5.793 0 40 IKAB CCN(CC)[P@@](/C=C1\N(C)c2ccccc2C1(C)C)(=Nc1ccccc1)c1ccccc1 89969015 YYMRIGWQLKKTNY-RKMUVQNVSA-N 443.575 7.371 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 96037770 YFGWSWLURINGQK-UHFFFAOYSA-N 429.911 5.323 0 40 IKAB COc1cc(/C=C2/N=C(c3cccc(OC(F)F)c3)OC2=O)cc(Cl)c1OC(C)C 97987490 FGIBSFPAIOFGEO-LZYBPNLTSA-N 437.826 5.082 0 40 IKAB COc1cc(OC)c([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc4ccccc4n32)cc1OC 100850346 BCAVEXKUNZWIHN-NRFANRHFSA-N 447.922 5.772 0 40 IKAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)cc1OC 102429892 BKWADWSUHRLCSF-QFIPXVFZSA-N 448.548 5.259 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccc(F)cc1 107041664 PYFXTBFFRKKETH-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 107784720 JRQZVLKOLGGCAH-JPYJTQIMSA-N 440.012 5.083 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1nnc(SCc2ccc(Cl)cc2)n1C 107869741 UUZVYHYYXTWJFJ-GOSISDBHSA-N 449.407 5.541 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 222940912 UDAXFPQZQRPPEE-IBGZPJMESA-N 427.932 5.161 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223269110 FDXKDQLALRQRNC-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 223870271 GAPZAYQDMONMJB-INIZCTEOSA-N 435.395 5.042 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224054699 LWPXYUQMGXROPF-NRFANRHFSA-N 442.968 5.330 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224139288 OGWHXTPVLFUKMW-SANMLTNESA-N 448.651 5.783 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c(Br)c1 224250447 MFUUMVJTVBRJCZ-UHFFFAOYSA-N 439.353 5.576 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 224477204 CQCXSBBVSIULJK-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224738186 OQFQEJLQCDAQIG-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225662383 QXRHUZLBLWBSNP-NLFFAJNJSA-N 440.603 5.604 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225859635 VKAJNCHGUYKPJA-UHFFFAOYSA-N 426.935 6.591 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(Cc3cccc4ncccc34)CCO2)n1 257217226 CYCXNFBUBHWUKP-DEOSSOPVSA-N 445.592 5.329 0 40 IKAB Fc1ccccc1N1CCN(C(=S)c2cccc(OCc3ccccc3Cl)c2)CC1 408574801 MTJZRRWMHUGFDN-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)cc1 408700232 ZWBZHVHIVNESPV-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408816589 RXACIUCTIZLULP-UHFFFAOYSA-N 431.537 5.346 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)/C(=C/c1ccccc1Cl)c1ccccc1 408921921 LNDLCYPNWPHOJU-CJLVFECKSA-N 442.411 6.584 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409010347 CHRUOTCDOUAUOI-BRABVMKYSA-N 435.520 6.393 0 40 IKAB CCCc1sc2nc(Sc3ccccn3)n(-c3ccc(OCC)cc3)c(=O)c2c1C 409120093 VAYIOZHCGJJVOD-UHFFFAOYSA-N 437.590 5.653 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1C 409120757 SZKBEKOTBKJWIW-UHFFFAOYSA-N 440.337 5.955 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c(C)n1C1CCCC1 409128621 SNCKXAZRVCDWFI-MTJSOVHGSA-N 442.968 5.793 0 40 IKAB CSc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 409176645 UDVMVCQXNMKXBZ-VWLOTQADSA-N 448.613 5.478 0 40 IKAB Cc1nc(S/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)O)n[nH]1 409192290 WFUUCCCPWFDNGY-MFOYZWKCSA-N 436.320 5.217 0 40 IKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)s1)c1cc(Br)ccc1Cl 585148050 MXYUGGWMDLAUSZ-CYBMUJFWSA-N 442.787 5.356 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1-c1ccccc1 679107 XZEFLNCIPCOIFP-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB O=C(Nc1cnn(Cc2c(Cl)cccc2Cl)c1)C(c1ccccc1)c1ccccc1 679890 KPZNEPAQLCTJHS-UHFFFAOYSA-N 436.342 6.009 0 40 IKAB aggregator Cc1ccc2cc(CN(Cc3ccccc3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 883240 BCMNHBHYGVDMTB-FQEVSTJZSA-N 441.600 5.474 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)c1 884518 DRIMZUXLSYXSIW-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB Cc1ccc([C@@H](CCNC(=O)C[C@@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 1832698 FWXYDKSGTWJPJW-KAYWLYCHSA-N 447.619 6.843 0 40 IKAB biogenic CCC[C@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2093023 TYVQHTFSJGZSQP-FQEVSTJZSA-N 437.492 5.059 0 40 IKAB biogenic CCc1ccccc1OCCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2207703 RFLARSMLEXVQRC-UHFFFAOYSA-N 446.978 6.529 0 40 IKAB Cc1cccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 2295358 FEVPRMXFLZVWOR-UHFFFAOYSA-N 430.617 6.466 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)c(Cl)c(C)c2)cc1 2327443 ZCIVACSJSSSLLX-UHFFFAOYSA-N 448.950 5.811 0 40 IKAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc(-c2ccccc2C(F)(F)F)o1 2332863 JZJDODZUVHYHEW-UHFFFAOYSA-N 446.425 6.404 0 40 IKAB CCn1c(SCC(=O)c2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 2389570 SDLPTPWBEOYTOH-UHFFFAOYSA-N 434.586 5.485 0 40 IKAB Clc1cc2c(c(Cl)c1Cl)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1O2 2569971 WCLNVRQZUKYVAI-UHFFFAOYSA-N 425.309 8.158 0 40 IKAB biogenic,in-vitro O=C(O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccc(O)cc1 3274655 XRBJXIHULPTJMZ-IBGZPJMESA-N 449.812 5.601 0 40 IKAB Clc1ccc(-c2nc(N[C@H]3CCCc4ccccc43)c3c4c(sc3n2)CCC4)cc1 3325047 SBZSQGXBNJBOAJ-FQEVSTJZSA-N 431.992 6.990 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 3364180 TVKCCKLCOIDHCF-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237404 WCYPATKSFBKXIQ-DOTOQJQBSA-N 432.570 5.051 0 40 IKAB biogenic,in-vitro CCn1c2ccccc2c2cc(NC(=O)CCC(=O)N3CCc4ccccc4C3)ccc21 4676476 OUNVNLCXMYLBPY-UHFFFAOYSA-N 425.532 5.118 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc(C(C)(C)C)c1 5496577 CMDWKDVNRBJQMF-UHFFFAOYSA-N 425.613 5.523 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc21 6180188 KLSPIOCMALPVRS-UHFFFAOYSA-N 442.522 6.677 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(C)c1 8810204 ACRHVXJVTJOCCD-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Clc1ccc(-c2nc3sc(-c4ccc(Cl)cc4Cl)nc3s2)c(Cl)c1 8893382 ALRLAXBYJSCTMD-UHFFFAOYSA-N 432.184 7.700 0 40 IKAB Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Br)cc3)C2)cc1 8927070 JMDREAOXVLNDBR-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB CCCCc1cc(=O)oc2cc(OC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)c(Cl)cc12 9034005 TYUTUABMUHOAQV-KRWDZBQOSA-N 449.931 5.094 0 40 IKAB biogenic COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 9210594 XDIYZRSPOZLWSK-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 9369280 ZVKDPNZMTLQRQI-UHFFFAOYSA-N 435.574 5.747 0 40 IKAB Cc1nc(SCC(=O)Nc2ncc(Cl)cc2Cl)c2c3c(sc2n1)CCCC3 9373416 WDTYKGNSXAMSAD-UHFFFAOYSA-N 439.393 5.311 0 40 IKAB O=c1sc2ccccc2n1Cc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1 9382821 OUISWZCPFFOPMV-UHFFFAOYSA-N 448.548 5.123 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 9408983 WOBPUSRDWMVJPI-XMMPIXPASA-N 427.504 5.418 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cccc(Cl)c1Cl 9501060 YBLKZOBECSCVFP-SNVBAGLBSA-N 439.393 5.768 0 40 IKAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(Br)c(C)c3)c2C(F)(F)F)cc1 9503876 SYCJQFRQHPRJAT-UHFFFAOYSA-N 438.247 5.523 0 40 IKAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 10059090 MDKCWVKTUXYGNO-SANMLTNESA-N 433.935 5.471 0 40 IKAB CC(C)c1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1O)C3 10157000 IVAKBFVGTFBMNB-HNNXBMFYSA-N 432.911 5.186 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(C)c2)c1 10246493 JWEIAWQDIVPBTK-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB Cc1ccc(CSc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 10493507 MFMYLAIDOWGNRD-UHFFFAOYSA-N 436.024 7.256 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3)nc(Sc3nc4ccccc4[nH]3)n2)cc1 12461711 RMDLTOUPBNWZGD-UHFFFAOYSA-N 439.548 6.003 0 40 IKAB COc1ccc(-c2noc(CSc3ncc(-c4ccccc4)n3C3CC3)n2)cc1OC 12541110 GUAFLDWNGORWFB-UHFFFAOYSA-N 434.521 5.245 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12622387 ZZRAXJWBLPLCSI-UHFFFAOYSA-N 439.386 5.470 0 40 IKAB Cc1c(-c2ccccc2)sc2ncnc(N3CCC(C(=O)Nc4ccccc4)CC3)c12 12680157 UPKKPUIVKSYCEF-UHFFFAOYSA-N 428.561 5.522 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3ccc(C(F)(F)F)cc3)nc3ccccc3c2=O)cc1 13087026 MSHQFDKNDZQDDH-VGOFMYFVSA-N 436.389 5.273 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2cccc3ccccc23)n1 13098566 BMEGEAKKUZFJAE-UHFFFAOYSA-N 433.554 5.937 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 13113113 KROJZHJELHQQEU-LSDHHAIUSA-N 433.499 5.267 0 40 IKAB COc1cccc(N(C(=O)CCc2ccc(OC)c(OC)c2)c2nc3ccccc3s2)c1 13146000 GNQJFLDQGSRYAX-UHFFFAOYSA-N 448.544 5.620 0 40 IKAB O=C(Cc1csc(SCc2ccc(Cl)cc2)n1)Nc1ccc(Cl)c(Cl)c1 13970340 FGHWIIJUSBEOCC-UHFFFAOYSA-N 443.808 6.577 0 40 IKAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc(OC)cc2)n1CC(C)C)c1ccccc1 14117302 FMOGFPKYFGPUMA-SFHVURJKSA-N 438.597 5.143 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2c(Cl)cc(Cl)cc2C(=O)O)cc1 16575725 ZUNXVKUQYQJZAF-VMPITWQZSA-N 437.348 5.341 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)COc1ccccc1 17098554 CSPYXURNCZTSPM-UHFFFAOYSA-N 433.558 5.164 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2c(=O)cc(-c3ccc(C(C)(C)C)cc3)oc2c1 17112935 ATIKIZCVLPLFOT-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 17994268 XDVFYFCTFGIXLK-DSNGMDLFSA-N 438.458 5.030 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F 19630587 ZOJLCUZWSCQWLH-UHFFFAOYSA-N 439.727 5.491 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(Cc3ccnn3C)CC2)n1 19691848 GHDBXLSJWSQSCX-UHFFFAOYSA-N 428.502 5.113 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(Cl)c1 20481964 VCEHZMIHTOYIGK-UHFFFAOYSA-N 448.950 5.722 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(-c4ccc(OC)cc4)cc(=O)[nH]3)c(C)o2)cc1 23126197 IMTLDDOHOYHMEO-UHFFFAOYSA-N 449.532 5.100 0 40 IKAB CCOc1ccc(N2C(=O)[C@H](c3ccccc3)N(c3ccc(OCC)cc3)C2=S)cc1 28405710 QWDCLYMNTZSBIV-QHCPKHFHSA-N 432.545 5.363 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)c3nc(-c4ccco4)no3)nnc2N2CCCCC2)cc1 29740093 QAZKIQIDPQUKQV-MRXNPFEDSA-N 436.541 5.062 0 40 IKAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 32622639 DUIAWLBGUKLNJV-OAQYLSRUSA-N 437.609 5.658 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 32721392 GLFJVCYXOHIFFW-RUZDIDTESA-N 427.544 5.734 0 40 IKAB Cc1ccc(Nc2ccccc2NS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 32915916 WKQOGIHHWZKFNT-UHFFFAOYSA-N 429.501 5.258 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1F 33026618 UQNVGQLISGISOR-UHFFFAOYSA-N 434.496 5.078 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1c2c(nc3ccccc13)/C(=C\c1ccccc1)CCC2 33672098 BXPLEECTUPAVGS-CYVLTUHYSA-N 434.495 6.093 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(N4CCCCC4)cc3)o2)cc1C 35105151 QXVPNTYLUMSHDY-UHFFFAOYSA-N 433.577 5.681 0 40 IKAB COc1cc(OC)c(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1Cl 35478591 KOPMBRYSITUHDT-UHFFFAOYSA-N 443.906 5.414 0 40 IKAB Cc1nc2nc(N3CCC(C)CC3)nc(O)c2c(=S)n1-c1ccc(Cl)c(Cl)c1 40386885 JMJZKRHZPKUVHY-UHFFFAOYSA-N 436.368 5.102 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2cccc(Br)c2)c(Br)c1 40942984 JZXVUEWHUCRXNS-UHFFFAOYSA-N 427.136 5.353 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc2ccccc2n1Cc1ccccc1C 41076837 SQFADCZXNGTOPZ-UHFFFAOYSA-N 431.561 5.441 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 44855430 HPQIPCUTZLBFIS-AREMUKBSSA-N 440.587 5.586 0 40 IKAB Cc1sc2ncnc(N3CCN(Cc4ccccc4)CC3)c2c1-c1ccc(Cl)cc1 54147450 LLXCEVFKVRYBAP-UHFFFAOYSA-N 434.996 5.642 0 40 IKAB O=c1/c(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)sc2nc3ccccc3n12 59167671 CFLOKLZMVQEDAX-YDZHTSKRSA-N 441.943 5.113 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72215190 CLTPWBPPGYFHIZ-KRWDZBQOSA-N 449.592 5.499 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 72370043 NDARRHWQEHCKNI-RDGATRHJSA-N 443.522 5.376 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1cccc(C)c1 79112423 UQCQEEUXIBLNKA-RUZDIDTESA-N 449.554 5.900 0 40 IKAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 83973737 MOOGGLNLGMTSCW-FPOVZHCZSA-N 443.469 5.485 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2cccs2)no1)c1ccccc1Br 96119733 VSEASUDYOVZYJR-UHFFFAOYSA-N 440.322 5.404 0 40 IKAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccco4)c(=N)c32)cc1 101117206 UBWIISPDOZQKPF-QHCPKHFHSA-N 435.483 5.452 0 40 IKAB COc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/C3CCCCC3)c2c1 101379460 SIJWMDOKCUJTRK-BYCLXTJYSA-N 431.605 6.183 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 102676549 KVALJVQIKPOBBW-IBINBSIQSA-N 447.531 5.964 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102718130 NEGSYGMGTQLUEP-LHSJRXKWSA-N 441.314 6.603 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 113958917 JSOMSHHSRPNRLN-XMMPIXPASA-N 440.631 6.249 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(OC(F)F)cc1)[C@H]2O 118914039 KUZBETODCMAEND-MFCSETNFSA-N 444.562 5.966 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1CCc1ccccc1 219007845 VRTUIWLVQQEPJQ-UHFFFAOYSA-N 431.923 5.447 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 222388177 BRXHABUSOCWTLY-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222711219 UNGNOCRIUQUTCU-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 223095326 RAJRKCXGSNLBQG-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n(-c2ccccc2)c1C 223121397 YAEUCZMUXWIDFL-IZZNHLLZSA-N 444.648 6.103 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 223744086 KEJRKHCIUATPKP-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccccc3)CCOCC2)cn1 224014301 IVCYLPRSUATXRS-UHFFFAOYSA-N 432.593 5.168 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224834770 BPAVEAZFGMGLRK-ZEQRLZLVSA-N 448.592 5.193 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029115 DEZAHDDEBBGFQT-DHIUTWEWSA-N 437.996 6.219 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 225137983 YTXJTCJJRGMNLM-GOSISDBHSA-N 433.017 5.074 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)Cc1c(F)cccc1Cl 225175323 WPOSGFQJFCDRHP-INIZCTEOSA-N 448.941 5.027 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225217468 XSHIPTUGHGGBKX-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCSCc2ccccc2Cl)ccc1Cl 225297081 DURBZGNGSDRWHP-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225720657 ODMINAHKIUFLCJ-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)c(Cl)c2)C(C)C)c(C)c1 225765007 OFPAEUCMLAMGCI-SFHVURJKSA-N 425.823 6.403 0 40 IKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225806959 IYYQBPAOPQHFGR-UHFFFAOYSA-N 425.823 6.145 0 40 IKAB COc1cccc(C(=O)N2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)c1 257326265 WWNTWSHHHCQZMH-QHCPKHFHSA-N 440.465 5.677 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408618844 HEUPPDRDBBAZKV-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408641034 JGNGYCVZSQOWED-IBGZPJMESA-N 430.504 5.096 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(C)c2)cc1 408697160 FKKPTRNSOQARMO-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)cc1 408699349 SXCKYWDWKXTSKJ-UHFFFAOYSA-N 437.330 6.056 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 408804790 BJXVEQOMWBPDLH-BOYLGSDFSA-N 446.423 7.047 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4cccc(F)c4)cc3)C2=O)cc1 409055332 YQISEKJIZNBPPG-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 409112374 FYLKICXCEPOKGY-UHFFFAOYSA-N 439.555 7.377 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(F)cc1 409117413 XVWHGJQVNUFENA-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB COc1ccc2ccc(OC)c(C[C@@H]3SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 409142912 FLQXBULJKCRIEZ-FQEVSTJZSA-N 427.909 5.322 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409173085 JBJINIYVMDAHNA-MHZLTWQESA-N 444.600 5.626 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1c(Cl)cccc1Cl 684346 INRQVNBKPXLVSV-IBGZPJMESA-N 447.347 5.402 0 40 IKAB COc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 905521 IZMDIACMJWAKIZ-UHFFFAOYSA-N 443.572 5.896 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 1107606 KISYCZGTKPSHGP-NRFANRHFSA-N 447.343 5.613 0 40 IKAB COC[C@@H](C)Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 1447714 QFXZPOJNAGPDPA-OAHLLOKOSA-N 437.341 5.297 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c(C)c1 1859549 JSBJSGJFKSWRKW-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB O=C1N2c3ccccc3S[C@@H](c3ccccc3)C[C@@]2(c2ccccc2)C1(Cl)Cl 2057576 JDCYQYZPZYWWID-IFMALSPDSA-N 426.368 6.340 0 40 IKAB COc1ccc(C(=O)N[C@@H](Nc2cc(Cl)ccc2Cl)C(Cl)(Cl)Cl)cc1 2068926 IRAVZYYLCDHQNW-OAHLLOKOSA-N 442.557 5.540 0 40 IKAB Cc1cc(Cl)ccc1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2224875 KGULORRODHVLEQ-UHFFFAOYSA-N 425.315 5.758 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 2315134 QLRCPHHHAJPNJO-UHFFFAOYSA-N 432.134 6.580 0 40 IKAB COc1ccccc1[C@H](Nc1ccccc1)[P@](=O)(OC(C)C)c1ccc(N(C)C)cc1 2399373 PSXLHQDLGZZANL-OOWIMERYSA-N 438.508 5.901 0 40 IKAB O=C(O)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)c1ccc(Cl)s1 2576700 CYEMTERGRXCNCB-GOSISDBHSA-N 427.909 5.456 0 40 IKAB CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)cc1 2752500 QVOFWBKHTGRAQB-LJQANCHMSA-N 449.572 5.848 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccs4)ncnc32)cc1Cl 2974740 HJSFXDXDHCEUHD-UHFFFAOYSA-N 430.964 6.723 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3109494 SIWGIAABWOJRBK-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Oc3ccc(Br)cc3Cl)cc12 3284545 NRECIYDTZDMOHE-UHFFFAOYSA-N 447.741 6.031 0 40 IKAB O=C1/C(=C/c2cn(CCOc3ccccc3)c3ccccc23)N=C(S)N1c1ccccc1 3642013 RFZNVHPUNBJOAX-QJOMJCCJSA-N 439.540 5.394 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655518 SRWZKHRIJXEKAC-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)cc(C)c2)n1-c1ccccc1 6194001 SFDAUWRWTZDBDT-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 8403808 NJWDBQOKMAQSRB-UHFFFAOYSA-N 448.440 6.808 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2cccc(C(F)(F)F)c2)cc1 8733501 VHNMMYPSNZWWRX-UHFFFAOYSA-N 432.829 6.013 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCOCC1 8832362 LFYMXIFJAJBCDG-JXMROGBWSA-N 443.330 5.742 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@@H](C)c3nnc(-c4ccccc4)o3)cc12 9283111 CKUAYZPVHCEDOM-HNNXBMFYSA-N 430.489 5.363 0 40 IKAB Cc1cccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)c1 9346476 RQWWIHTXGNVRNT-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 9382905 HEAVALMJLPNQQN-UHFFFAOYSA-N 445.013 5.484 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CC2CCCCC2)c(OC)c1 9414330 LXIHCTIDFIJXIN-UHFFFAOYSA-N 436.508 5.611 0 40 IKAB Cc1nn2c3c(cnc2c1-c1ccc(Cl)cc1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 9698367 VDTQQMWDFUBKIJ-FQEVSTJZSA-N 429.951 6.394 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2cccc(Br)c2)o1 9798647 VXSIDTYVMQCBND-LBPRGKRZSA-N 442.338 5.652 0 40 IKAB COc1cc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)c(OC)cc1Cl 11220463 VHJYXPBIGVARQB-UHFFFAOYSA-N 440.887 5.195 0 40 IKAB CCCCc1ccc2nc(-c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc(C(=O)O)c2c1 12130031 JCKODQVGKRUCRM-UHFFFAOYSA-N 440.326 7.509 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1cc(F)cc(F)c1 12237321 QYPNOHPDESUAKZ-UHFFFAOYSA-N 439.487 5.030 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc4ccccc4c3)C2=O)cc(Cl)c1OC 12344323 QFUWKODHJSKEHA-UDWIEESQSA-N 439.920 5.747 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@@H](C)c1cccc(NC(=O)c2ccccc2)c1 12754401 HOVXFPKSTVBRMV-FQEVSTJZSA-N 446.595 5.170 0 40 IKAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 13039254 AVPSPJJCBUHCHH-SQHAQQRYSA-N 442.559 5.743 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 13057104 RQIZSHRBFCRCBE-GASCZTMLSA-N 434.989 5.162 0 40 IKAB C[C@@H](c1ccccc1)N(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1F 13134186 FEBHSTJKGGZDOB-INIZCTEOSA-N 437.458 5.797 0 40 IKAB O=C(Cc1ccc2c(c1)OCCO2)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 13164018 RLOBPEAJSFGCTN-HXUWFJFHSA-N 446.934 5.083 0 40 IKAB Cc1cccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)c1 13227579 KSNOKHLNSFMYLL-UHFFFAOYSA-N 431.561 5.084 0 40 IKAB CCCSc1nc(SCc2ccccc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 13514068 DDYORLISHPAKMG-JOCHJYFZSA-N 430.664 6.727 0 40 IKAB Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 13880439 XFQABZFFVGPTQF-CABCVRRESA-N 439.144 5.076 0 40 IKAB Fc1ccc(-c2nn(Cc3ccc(Cl)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 13960761 OCYLLAJZILLTTP-UHFFFAOYSA-N 449.715 7.504 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 14707393 IXOLIOGURGQZSA-UHFFFAOYSA-N 449.841 6.097 0 40 IKAB COc1cc(CCC(=O)N[C@@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 15106013 CWYCDSKXRNDTII-KRWDZBQOSA-N 447.531 5.292 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cnc(SC)n3-c3ccc(F)cc3)n2)cc1 15318760 AEKWCODZUVDCEN-UHFFFAOYSA-N 440.525 5.118 0 40 IKAB CCOc1cc(/C=C2\SC(=N)NC2=O)cc(Cl)c1OCc1cccc2ccccc12 15932029 ZILWRSHSRMXGFN-NDENLUEZSA-N 438.936 5.610 0 40 IKAB CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 16688504 QQWJMPRVUFZHOX-UHFFFAOYSA-N 444.344 5.856 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 16699341 KNAHKFFKWCNXMC-AWEZNQCLSA-N 431.970 5.016 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cl)cc2Cl)c1Cl 17095499 HGAHHQAMBVJGDK-UHFFFAOYSA-N 427.542 6.588 0 40 IKAB C[C@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)c1ccccc1 19459092 DNHFYMJPFVGGGC-FFZOFVMBSA-N 444.570 5.213 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 20610279 JUTNGDGRSKEWFL-FRKPEAEDSA-N 426.520 5.595 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1 22529115 NWLAYEJMRNJFHO-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCOc1ccc(/C=C(\Cl)c2nnc(C(=O)Nc3ccc(F)cc3)s2)cc1OC 24355965 CCMSJCVPKKEKJE-GDNBJRDFSA-N 433.892 5.074 0 40 IKAB CCCc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)cc1 24832226 OCOZXAXIYKAMOT-UHFFFAOYSA-N 442.363 5.510 0 40 IKAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 25918822 FSKGHZHBMQWWIR-QGZVFWFLSA-N 439.544 5.377 0 40 IKAB CC(=O)N(c1nc(COC(=O)c2cc(C)sc2C)cs1)c1c(C)cc(C)cc1Cl 26224641 CLQXJUIVTWTCIW-UHFFFAOYSA-N 448.997 6.133 0 40 IKAB Cc1nn(Cc2cccc(C(=O)Nc3cccc4cccnc34)c2)c(C)c1Br 27970743 LQYYKTZXGVNFGE-UHFFFAOYSA-N 435.325 5.111 0 40 IKAB CCn1c(SCc2ccc(OC)cc2)nnc(Nc2cccc(Cl)c2Cl)c1=O 28537424 GCPDPLCADBBRSJ-UHFFFAOYSA-N 437.352 5.010 0 40 IKAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29170114 URMCDKVISVMRFC-UHFFFAOYSA-N 441.462 5.749 0 40 IKAB O=C(CNc1cc2c(cc1Cl)OCCCO2)Nc1ccc(Cl)cc1C(F)(F)F 29936609 VGDILLFWCISNJP-UHFFFAOYSA-N 435.229 5.224 0 40 IKAB CCCc1cc(=O)oc2cc(OCc3nnc(-c4c(-c5ccccc5)noc4C)o3)ccc12 31693041 NRXMMRLHRSVGLH-UHFFFAOYSA-N 443.459 5.338 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 35264337 XJTYDSUUXSVYGQ-UHFFFAOYSA-N 436.939 6.042 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 36357921 MWHQGYKRJHROFV-VQEMNGCCSA-N 445.563 5.447 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38834704 BDQNHVRDWUVXHN-ZDUSSCGKSA-N 431.285 5.863 0 40 IKAB CCOc1ccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1CO 62587264 XHPXDLYNHVXZOG-QFIPXVFZSA-N 444.453 5.388 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)cc3Cl)oc12 67295794 ODJYQCNSJJHWGF-PNHLSOANSA-N 433.895 5.591 0 40 IKAB CC(C)n1c([C@@H]2CCCN(C(=O)Nc3nnc(-c4ccccc4)s3)C2)nc2ccccc21 72305828 IWAYGRYDTWKRPZ-GOSISDBHSA-N 446.580 5.547 0 40 IKAB COc1cc(Br)c(NC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)cc1OC 84718143 AUASKKNSDJZTJV-LBPRGKRZSA-N 444.329 5.099 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)Cc3cccs3)CC2)on1 100743721 HQUFOUHXOLIBER-LZQZEXGQSA-N 438.597 5.079 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 106973868 SBSIMWQTLAYZFB-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(C)cc1 106974221 JSFXFRCELNZUEM-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223272313 NSMWRNLWYYBUOX-QFIPXVFZSA-N 426.626 5.199 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C 223359230 DCZLFYHSODIXOI-BJKOFHAPSA-N 428.561 5.255 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(C)c3)c(Cl)c2)cc1 224093660 KDZFALVVWNPOND-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cc(C)cc(C)c1C 224279642 CKLJSRHQMLYVHN-UHFFFAOYSA-N 439.939 6.114 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC2CCCCC2)cc1 225124111 SCHGFBWZXHORQK-MHZLTWQESA-N 448.651 5.746 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc4c(c3)sc(=O)n4C(C)C)cc2)cc1 225133891 UKBXFMOTZKURQY-UHFFFAOYSA-N 448.613 6.497 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225158640 PZYUVUWQNYNFIQ-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(Br)c(Cl)c1 225612531 BSIXFTFYJHFLCM-UHFFFAOYSA-N 447.826 5.852 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225615103 NBOUSXIHWKXORR-GCJKJVERSA-N 447.044 5.463 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)c1C 225863737 XTABADQELYZSOO-UHFFFAOYSA-N 426.582 5.326 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc2cccc(Cl)c2oc1=O 226040813 FARQLEPYGKTNDL-UHFFFAOYSA-N 438.266 5.583 0 40 IKAB CC(C)c1ccc(C(=O)Nc2cc(Br)ccc2-c2ccc(C(=O)O)o2)cc1 226356657 VWPZAOAFDCPMPM-UHFFFAOYSA-N 428.282 5.783 0 40 IKAB C[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1c(F)cccc1C(=O)O 257211671 BZWIWQRFXHGHAJ-INIZCTEOSA-N 441.886 5.346 0 40 IKAB COc1cccc(CN(Cc2ccccc2)C(=O)COc2ccc(C(C)C)cc2C(=O)O)c1 257213984 CJYMRYQKXATWOX-UHFFFAOYSA-N 447.531 5.125 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cccc(OC)c4OC)C3)c2)cc1 257229376 FXWNQGVFJXAUNM-HXUWFJFHSA-N 446.547 5.103 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(Cl)cc3)n2CC)cc1 408560158 CGUZURYBKUPASE-LCUIJRPUSA-N 443.012 6.372 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408571594 BTOPWABQBIZTEO-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CCc1nc(S/C(=C\c2c(C)n(Cc3ccc(F)cc3)c3ccccc23)C(=O)O)n[nH]1 408632429 PUTBUZHGDUYWRO-NDENLUEZSA-N 436.512 5.035 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1C 408637538 AGGAKZCSKDCRMP-IFMALSPDSA-N 428.532 5.644 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408670627 YCGQDGMBUNHQAX-AGYDLCDTSA-N 434.322 5.093 0 40 IKAB COc1ccc([C@H]2N=C3SC(c4ccccc4)=NN3C(=S)N2c2ccccc2)cc1 408974165 WEVZDZLHXKNZFP-FQEVSTJZSA-N 430.558 5.266 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 409117385 LPQQQBGDQFCEEH-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 409151923 IBZPDVUNYMHCDZ-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(OC)cc3)n2C)cc1 409201250 OWZLVZLDJNSWPB-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3ccccc3)n(C)c2-c2ccc(OC)cc2)cc1 409205567 QPCHWGVNPZQQJW-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1cccc(C)c1 409250637 RLLPNWXKLGECBP-PXLXIMEGSA-N 441.549 5.046 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2sc3nc(-c4ccc(OC)cc4)ccc3c2N)cc1 661531 QXBSKOQFMWSEAH-OAHLLOKOSA-N 431.561 6.320 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1NC(=O)[C@H](C)Oc1ccccc1C 683016 NJFUIAOBBSJDIZ-PMACEKPBSA-N 432.520 5.115 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900654 VBHKIQWTGIEQTC-CQSZACIVSA-N 445.466 5.484 0 40 IKAB Cc1nc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)sc1C 1378850 MBLGSAHZEFTCJR-UHFFFAOYSA-N 432.640 5.498 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C(=O)OC)cc3)cc12 1463691 ZJFMSMMDAAZZHI-UHFFFAOYSA-N 430.456 5.642 0 40 IKAB biogenic COc1ccc([C@H](CCN(Cc2ccc(OC(C)C)cc2)C(=O)c2ccco2)C(C)C)cc1 2092000 JZCXIACENTUZDI-AREMUKBSSA-N 449.591 6.548 0 40 IKAB biogenic Cc1cc2c(cc1C)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 2259121 MYPXZLYAANJCBY-UHFFFAOYSA-N 429.607 6.786 0 40 IKAB Cc1ccccc1-n1c(S)nnc1-c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F 2791086 WOUVXPUBOWHFTO-AEFFLSMTSA-N 438.507 5.091 0 40 IKAB CN(C)S(=O)(=O)c1cccc(C(=O)N(c2ccccc2)c2ccc3ccccc3c2)c1 3213280 JJNGBQIKJCOWTB-UHFFFAOYSA-N 430.529 5.069 0 40 IKAB Cc1cc(C)nc(SCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)n1 3218393 PSJHKDLISVFPEZ-UHFFFAOYSA-N 432.574 5.615 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)C1CCCCCC1 3279284 QYTHFXHEPKSOAJ-UHFFFAOYSA-N 435.612 5.522 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(F)ccc3F)cs2)c1 3292968 UHROCVWXHAXGNQ-UHFFFAOYSA-N 425.254 5.112 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1 3347398 BKJCFKWABYMSFF-QFIPXVFZSA-N 444.560 5.271 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 3845972 QGKBSHAUAIEERO-UECWXEIQSA-N 438.666 5.153 0 40 IKAB CCOc1c(Br)cc(Br)cc1/C=C/c1ccc2cccc(O)c2n1 8452673 YPAHUKQWICIZKY-VQHVLOKHSA-N 449.142 6.035 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 8810754 OWFMRKLBFQPCLG-UHFFFAOYSA-N 444.503 5.143 0 40 IKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5ccccc5c4)=NN23)cc1 8838159 FNPYUOROCPGESM-DOVHFGBNSA-N 444.578 7.437 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3)CC2=O)c1 8915798 IUHJYIBJRAIFPD-GOSISDBHSA-N 431.923 5.267 0 40 IKAB COc1ccc(-c2csc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)n2)cc1 9226531 APUKZXSNVSCIGU-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 9308139 AKVPYRGDJDEIDL-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1ccc([C@@H]2NC(=S)NC(c3cccc(Cl)c3)=C2c2nc3ccccc3[nH]2)cc1 9403668 WVGJKKHEIFMPHR-NRFANRHFSA-N 446.963 5.312 0 40 IKAB CC(C)[C@H]1C[C@@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 9420531 VFJFJHQLZRMSMM-KAYWLYCHSA-N 441.059 5.916 0 40 IKAB CC(C)c1ccc(-c2noc(CSc3nnc([C@@H]4COc5ccccc5O4)o3)n2)cc1 9448160 WYASJQHCTPSOBT-SFHVURJKSA-N 436.493 5.048 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 9805593 QHFVJSLYUJKGLO-KRWDZBQOSA-N 445.975 6.583 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1nnc(SCc2cccc(Br)c2)s1 9833777 FYVUEWOYBBSPJW-MDZDMXLPSA-N 432.368 5.245 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 11117625 PDNQNBQRHGXTLI-PMACEKPBSA-N 447.482 5.222 0 40 IKAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2ccc(F)cc2)n(C(C)C)c1C 12322953 SIQYOEYVHJHVJO-UHFFFAOYSA-N 432.492 5.049 0 40 IKAB COc1ccccc1[C@H](CNC(=O)c1sc2cc(F)ccc2c1Cl)N1CCCC1 12786265 SBCQHWAVINAONR-KRWDZBQOSA-N 432.948 5.269 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 12982787 RQDLBBOHMYHMRC-OAQYLSRUSA-N 432.998 5.366 0 40 IKAB Cc1cccc(OCc2nnc(SCc3cc(=O)oc4cc(C)c(C(C)C)cc34)o2)c1 13131505 HTPRDZAABCKXLQ-UHFFFAOYSA-N 436.533 5.788 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628349 DEWCWZYVIFQZQY-UHFFFAOYSA-N 444.575 6.668 0 40 IKAB CC(C)OC(=O)c1cc(C23CC4CC(CC(C4)C2)C3)nc2ccc(Br)cc12 13756823 RERJQWRGHNQBHL-UHFFFAOYSA-N 428.370 6.030 0 40 IKAB biogenic Cc1nn(CC(C)C)c2sc(C(=O)NC3CCN(Cc4ccc(Cl)cc4)CC3)cc12 14014859 BNJMLVZSQLEAJM-UHFFFAOYSA-N 445.032 5.110 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc(Cl)cc3)ccc2Cl)c1 14153400 VIJYFWIQDAFJPD-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)c2)cs1 14200112 JPJNJRPGNYEFHQ-UHFFFAOYSA-N 427.529 5.154 0 40 IKAB COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(OC)c(OC)c4)oc3c2)c1 15729406 JXIOGMSGTVVZCR-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic Cc1cc(C)c2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3C)nc2c1 16268819 GWZNDDFQYCBCSM-UHFFFAOYSA-N 433.508 5.686 0 40 IKAB O=C(Nc1ccc(NC(=O)Nc2ccccc2Cl)c(Cl)c1)Nc1ccccc1Cl 16450380 FWLHWUWCSBCOOD-UHFFFAOYSA-N 449.725 6.935 0 40 IKAB C[C@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1Cl 16577315 IFSQQFNRMGQSIP-RTWAWAEBSA-N 434.761 5.664 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(O[C@H](C)CC)cc4)c3)nc2c1 16610827 OUAGCOJMGMIIIM-RBUKOAKNSA-N 442.559 7.438 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)c1cccc(C(F)(F)F)c1 17149915 ITJHHKWHXPBTCK-UHFFFAOYSA-N 428.233 5.239 0 40 IKAB O=c1c2ccccc2nc(SCc2nc(-c3cccs3)no2)n1CCc1ccccc1 17179065 JQKDAAGOQSHCHN-UHFFFAOYSA-N 446.557 5.043 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3cc(Cl)sc3Cl)cs2)c1 17316731 KRXKHQRCJGHWSJ-UHFFFAOYSA-N 447.390 5.224 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2C)cc1 19635399 FIDNZSDZYVKPSC-UHFFFAOYSA-N 442.342 6.326 0 40 IKAB COc1cc(NC(=O)COc2ccc(C3CCCCC3)cc2)ccc1-c1ccc(CO)o1 20144946 ACWIKLQJVNBQEX-UHFFFAOYSA-N 435.520 5.513 0 40 IKAB CC(C)(C)CC(C)(C)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1 22076260 NYVHDSHPIHTONK-UHFFFAOYSA-N 438.837 6.986 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1cccc(Br)c1 22246152 SAPZHNQOCIZUFR-LLVKDONJSA-N 434.334 5.588 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)c1 22274839 QELIZYMPYLQQCH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Clc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 27299601 JYERCTGUXNQRJM-UHFFFAOYSA-N 426.745 6.222 0 40 IKAB COc1cc(CN(C(=O)c2oc3cc(C)ccc3c2C)c2ccccn2)cc(OC)c1OC 28287632 LDRLJWGGJMUUIO-UHFFFAOYSA-N 446.503 5.317 0 40 IKAB Nc1ccc(-c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)cc2)cc1 28294418 ZMGHZLREOHCVDQ-SALAOISXSA-N 442.518 5.332 0 40 IKAB CCOC(=O)c1ccc(COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)o1 32131455 BAXMLNNMIIXFTQ-UHFFFAOYSA-N 431.444 5.037 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622910 SJPROWOBAXLMEV-QGZVFWFLSA-N 429.476 5.127 0 40 IKAB COc1cccc(-n2c(SCc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)c1 33795683 QYFQTHKESPMIMB-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB O=C1N/C(=N/c2ccccc2F)S/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 35645327 BOYKYXGIANFVJJ-FYJGNVAPSA-N 438.911 5.950 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 36442627 ZKCISRBICYOKTK-XMMPIXPASA-N 448.617 5.198 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cccc3C)c2)cc1 38755444 BSDSSEGZYHVGIP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@@H]1c1cccs1 39404511 JFKHTAOEQKQUED-ZNGPQJNKSA-N 439.005 6.900 0 40 IKAB CCc1ccc(-c2c(C(=O)NC[C@@H]3CCCO3)sc3c2cnc2ccc(F)cc23)cc1 45944004 IPKWOYRUZBCBLB-SFHVURJKSA-N 434.536 5.727 0 40 IKAB Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005430 KDAFHQNNVVUVIN-UHFFFAOYSA-N 428.458 5.573 0 40 IKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72214587 DOSNFCLXQXIRPG-LJQANCHMSA-N 433.593 5.941 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1 72215296 IPAAXWASOIIYNO-SIKLNZKXSA-N 437.584 5.989 0 40 IKAB Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 84114710 GOZLSYDJVDEWQT-NRFANRHFSA-N 425.536 5.967 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 102799578 XYAHVIMQWBBBKK-VRHCTWJESA-N 448.420 5.257 0 40 IKAB COc1cccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1 102957672 VQIVDKLPWANQDO-KGENOOAVSA-N 438.405 5.354 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 106715929 NXAVAYVENFUFBF-JAIQZWGSSA-N 445.371 6.595 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 222414961 ZNJNDHSRDHZJFL-QFIPXVFZSA-N 447.044 5.463 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(Br)c1 222886757 KSSFFKGUKNRSFL-VQTJNVASSA-N 441.398 5.017 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 223046855 VTILNUCJOHNXJD-LJQANCHMSA-N 447.044 5.215 0 40 IKAB CCc1cc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)ccc1OC 223687638 ZUVRHOKOSNAWFC-UHFFFAOYSA-N 448.009 6.004 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)c(C)c1 224110976 KATOUILTWKNYMR-XMMPIXPASA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccc(Cl)cc1 224157336 IFBRGDNIMCKROJ-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CN(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224431445 JDCKGGUMJDTGOV-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cc(C)cc(C)c1C 224611936 WLGDCNAMBLJZRU-UHFFFAOYSA-N 447.531 5.613 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccccc2CC)S(C)(=O)=O)cc1 224662469 SGLDSPVCLCEGBA-HXUWFJFHSA-N 444.641 5.161 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(C)cc2I)c2ccccc2O1 225034697 FCCYBFCGLAUEJS-GOSISDBHSA-N 449.332 5.412 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225037074 ONEUXDHGQWPPAM-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225164807 VDCQSMQJBZJTBH-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225307099 UBJXIYQAXYMKPH-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(Br)cc1F)c1ccccc1 225505566 SLUKMTQJYNEGJY-FQEVSTJZSA-N 429.358 5.973 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225529176 VHCLFRSBEFLNLH-NFBKMPQASA-N 426.626 5.199 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)ccc1OC(C)C 225763690 OCPWOIBBQDSHQH-UHFFFAOYSA-N 429.944 5.754 0 40 IKAB COC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1C 225859191 VFHCYZWJFDTTCG-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(Br)c3nc(N)sc3c2)c1 226312266 CBGYVHDQTCTCKA-UHFFFAOYSA-N 434.359 5.090 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 245311395 OXRDWATYMRNBEQ-VLWCASSMSA-N 440.897 5.600 0 40 IKAB Cc1cccc(Nc2cc(C)nc([C@H]3CN(C(=O)c4oc5ccccc5c4C)CCO3)c2)n1 257242907 IERHTSVFGPLVSF-HSZRJFAPSA-N 442.519 5.105 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 257312290 UNFMCYZDQURUCY-SFHVURJKSA-N 432.589 5.089 0 40 IKAB CCc1nnc(S/C(=C\c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)O)o1 408631908 NDTMEXLIGHCSRX-WQRHYEAKSA-N 446.912 5.091 0 40 IKAB COc1ccc2[nH]c(-c3ccccc3)c(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c2c1 408632331 DLAMAILXPPWBOL-HMAPJEAMSA-N 442.496 6.203 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408645341 UREFMZTTYOXVIC-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408648961 YVYCBNYHRFUAEC-GOSISDBHSA-N 434.923 5.741 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408689945 ZUQPAIKNWXTIQT-HOCLYGCPSA-N 429.303 5.091 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408693758 DBEUSJFLQZJOCN-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1OCc1cccc(Cl)c1 408806630 ANHRBEWMMSLVMU-UHFFFAOYSA-N 439.919 5.821 0 40 IKAB O=C1S/C(=C\c2cc3c(cc2Br)OCO3)C(=O)N1c1ccccc1Cl 409055783 BDNHFMZBGZDRPE-UUASQNMZSA-N 438.686 5.072 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)cc(Cl)c1OCc1ccc(F)cc1 409061780 HYKHIXBEVDZRDL-ZDLGFXPLSA-N 435.904 5.511 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409158175 SEPKVFBRLXVHHM-YQNUULROSA-N 446.366 5.863 0 40 IKAB Cc1cccc(C)c1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409183027 RNFXCCKIYRZCJY-AREMUKBSSA-N 449.934 5.843 0 40 IKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCCOc1ccccc1 409199722 JKJMQNCBJKJZAG-UHFFFAOYSA-N 433.573 5.277 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C2=O)cc1 409231170 IKHKTIRHADZBIQ-STZFKDTASA-N 434.948 5.893 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1Cl 409376040 SPBWCZWSOSHPPS-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CCN1CCCCN(C(=O)c2ccccc2Cl)[C@@H](C(C)C)COc2ccccc2C1=O 643566220 DUXRBOHMZNASLY-JOCHJYFZSA-N 442.987 5.142 0 40 IKAB COc1c(C)cccc1C(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2CCC(C)C 643567366 DJBQUJZUZDPBRA-RPWUZVMVSA-N 449.639 5.341 0 40 IKAB O=C1C[C@@H]2CCN(Cc3cccs3)C[C@@H]2CCOc2ccc(-c3cccnc3)cc2N1 1534646738 RYUSUZOSZYLVRP-FPOVZHCZSA-N 433.577 5.060 0 40 IKAB CCOC(=O)c1cc(-c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)on1 1857794135 VEWXHMPOKKGRLF-UHFFFAOYSA-N 429.472 5.676 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cccnc1Cl 646587 GMTODCWBZIZXFT-NSHDSACASA-N 438.862 5.330 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778407 GFGGKPFYGZQELU-UHFFFAOYSA-N 434.926 5.063 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1OC 1223803 VCGTXASUODQVBG-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3)cc2c1 1371558 XXHCCYPXKKGUBX-UHFFFAOYSA-N 425.532 5.422 0 40 IKAB COc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1770949 CXWSDJKCOKMFBL-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB CCCOc1ccc(-c2csc3ncn(Cc4c(F)cccc4Cl)c(=O)c23)cc1 1912005 QGBFSIZKIKUXIT-UHFFFAOYSA-N 428.916 5.755 0 40 IKAB CCOC(=O)c1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)cc1 1944672 AUUBLDMNOWPSAY-YYADALCUSA-N 448.316 6.271 0 40 IKAB Cc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 2079600 YIKIHXUCXUNDEB-QGZVFWFLSA-N 429.903 6.292 0 40 IKAB COc1cccc2cc(-c3cc(=O)oc4c(C)c(OCc5ccccc5)ccc34)c(=O)oc12 2159212 MFCGFTXDJVVYHJ-UHFFFAOYSA-N 440.451 5.462 0 40 IKAB biogenic CCSc1nc2c(c(=O)n1-c1ccccc1OC)C1(CCCCC1)Cc1ccccc1-2 2299085 QJLJZGFASRXWSK-UHFFFAOYSA-N 432.589 5.778 0 40 IKAB biogenic O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cc2ccccc2o1 2589404 CSWPGJTXCVDOCH-UHFFFAOYSA-N 429.526 5.836 0 40 IKAB COCCNC(=O)c1cccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 2710114 KTVAKSMVFJXZGO-UHFFFAOYSA-N 432.911 5.070 0 40 IKAB COc1ccc(Nc2nc3ccccc3c3nnc(-c4ccc(Cl)cc4Cl)n23)cc1 3063675 BYPSPLOTVMSNOC-UHFFFAOYSA-N 436.302 6.004 0 40 IKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2c(Br)cc(Br)cc12 3134521 YRCGRQJGVHURRV-UHFFFAOYSA-N 428.507 6.151 0 40 IKAB CCOC(=O)C1=C2Sc3ccccc3N2[C@](c2ccc(C)cc2)(C(F)(F)F)N=C1O 3261812 SXZAIXOBGGDGLV-HXUWFJFHSA-N 434.439 5.067 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)c1 3436420 XENPFMIBLKMWBJ-HXUWFJFHSA-N 448.950 5.932 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636726 NHAJZQUDKTVZIR-UYAOXDASSA-N 428.598 5.222 0 40 IKAB Cc1sc2ncnc(Oc3ccc(Oc4ncnc5sc(C)c(C)c45)cc3)c2c1C 8445986 XBQBEWCLXRORDZ-UHFFFAOYSA-N 434.546 6.514 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 8452532 WXPBHFKNYWAVNB-SFHVURJKSA-N 434.967 6.533 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 8693951 ITAUVHRNEHROPH-ONINPHDUSA-N 429.470 5.797 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 8965910 KIPSVRAZPQHLLH-SANMLTNESA-N 436.515 5.277 0 40 IKAB O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062197 KBLWJYCHQVXOAE-OUKQBFOZSA-N 432.530 5.171 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1OC 9216444 HTAPSKIIIZCKDT-HTAPYJJXSA-N 426.925 5.661 0 40 IKAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1c(F)cccc1Cl 9232657 KNQLJLAVLCYJFC-VIZOYTHASA-N 444.684 5.617 0 40 IKAB Cc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 9281302 HEXHIPURBOUKGU-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccccc2Cl)cc1 9599598 RCPNYYOOSYBOOD-UHFFFAOYSA-N 442.968 5.192 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)o1)c1ccc(Nc2ccccc2)cc1 9617013 JVYCXKPJPPOQDL-UHFFFAOYSA-N 444.560 6.014 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4cccc5ccccc45)c3)nc2c1 9934680 ACGUWFSVHLTHBV-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 10112673 JBKPWDAOBJEPGT-UHFFFAOYSA-N 433.982 5.832 0 40 IKAB Cc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Br)s3)nc12 10187555 VKIZOZKRDYVHFX-UHFFFAOYSA-N 444.379 5.671 0 40 IKAB COc1ccc(-c2c(C)c3cc(OCC(=O)Nc4ccc(C)cc4)ccc3oc2=O)cc1 11865080 VKUBWFVCQACPSA-UHFFFAOYSA-N 429.472 5.103 0 40 IKAB biogenic Cc1cc(C)nc(Oc2cccc(NC(=O)[C@@H](C)Oc3ccc(Br)cc3)c2)n1 12090033 XNYOTCAIDBGHQW-OAHLLOKOSA-N 442.313 5.054 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(OC(C)C)cc2)cc1 12124328 QCMNZZNVOOTKIY-XNMGPUDCSA-N 444.531 5.733 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(F)cc3)=Nc3c2ccc2ccccc32)cc1 12485212 JKKDYINNUSCMEC-UHFFFAOYSA-N 437.518 6.592 0 40 IKAB Cc1ccc(-c2nc(SCCCC(=O)N3CCOCC3)[nH]c2-c2ccc(C)cc2)cc1 12546538 DCIGRQLSUZVTRJ-UHFFFAOYSA-N 435.593 5.092 0 40 IKAB CCOC(=O)c1c(NC(=O)CCN2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 12591704 CSNQUGRTQLVBDB-UHFFFAOYSA-N 449.016 5.614 0 40 IKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 12821463 TUARZLAMULEFDZ-OAQYLSRUSA-N 437.330 5.841 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C(C)C)cccc1C(C)C 13039030 HBRNJDHNOHTIEH-NRFANRHFSA-N 447.044 6.077 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C 13098790 GYPMJCDXMJLOHO-UHFFFAOYSA-N 447.991 6.488 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c1 13102107 RNDXZOHJXZINAE-FQEVSTJZSA-N 431.966 5.216 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 13497696 PNCKASONGAKQAY-QFIPXVFZSA-N 433.017 5.373 0 40 IKAB O=C(c1ccccc1OCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13687423 QBXOYRLQWROYMI-UHFFFAOYSA-N 440.465 5.247 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2ccccc2NC(=O)CCC(=O)c2ccccc2)c1C 14405583 DORPKDQPUJULKF-UHFFFAOYSA-N 446.551 5.154 0 40 IKAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 15106617 LHYFJQSZNOPYPQ-INIZCTEOSA-N 448.441 5.941 0 40 IKAB C[C@@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 15278564 UXUOWKIMDTXHOE-QGZVFWFLSA-N 439.544 5.233 0 40 IKAB COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccc(F)cc1 16195545 DXVNZOFVJGLRMB-UHFFFAOYSA-N 436.346 5.527 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1F 17099398 NMTGRQQVKCGCMU-JXMROGBWSA-N 435.307 5.919 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 17099850 BTLQURDKPUMSKE-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc2ccccc2c1 17102272 HPJHBONMCRYGPC-UHFFFAOYSA-N 438.512 5.478 0 40 IKAB O=C(Cc1ccc(Br)cc1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 17910948 JXXFNQAWQZCZPK-LJQANCHMSA-N 439.378 5.483 0 40 IKAB CC(C)(C)c1cc2nc(C3CCN(C(=O)c4cccs4)CC3)cc(C(F)(F)F)n2n1 19084200 YHRNEXHKUMRYHQ-UHFFFAOYSA-N 436.503 5.127 0 40 IKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(OC)c(OC)c2)C[C@H]3c2ccco2)cc1 19638270 ZTARQAQPCKIUBT-NRFANRHFSA-N 443.503 5.591 0 40 IKAB Nc1c(Cl)cc([C@H](O)CN[C@H]2c3ccccc3CSc3ccccc32)cc1Cl 19801903 JQXZAVXODXQBDJ-KNQAVFIVSA-N 431.388 5.594 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 20152092 VRTMWZIGFGKVJF-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 20411515 XGCJHGZBCLWPBX-UHFFFAOYSA-N 426.538 5.540 0 40 IKAB COc1ccc(SCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC 20461175 HSKSXYATAPEQMI-UHFFFAOYSA-N 446.421 5.152 0 40 IKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccc(C)cc1 22110289 VFCKRKZJOCRLDS-UHFFFAOYSA-N 432.549 5.247 0 40 IKAB CC(=O)Nc1cc(NC(C)=O)cc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)c1 22131347 ZYVJJYJDSXUUAA-UHFFFAOYSA-N 437.883 5.301 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c2cc(C(F)(F)F)ccc21 22236790 ZYEWVYLICBVBTJ-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CCCn1c(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc2ccccc2c1=O 32984649 ITZLTSSFYUXEIV-UHFFFAOYSA-N 425.941 5.716 0 40 IKAB COc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1 33659995 NPVGUOMHEFAEPK-UHFFFAOYSA-N 431.919 6.011 0 40 IKAB COc1cc(/C=C2\C[C@@H]3[C@@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 35324150 FBJLPYMCBZFUML-OIILSJCSSA-N 436.592 6.419 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl 38771242 XMSUCABHXZXKAV-KRWDZBQOSA-N 432.800 5.854 0 40 IKAB Cc1ccc(CC2(O)CCN(CCOc3ccc(OCc4ccccc4)cc3)CC2)cc1 38970148 AVWXLZZGUKIPPQ-UHFFFAOYSA-N 431.576 5.022 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@H](c2ccccc2Br)N1CCc1ccccc1 40485587 LRSXACCVRAEELU-QFIPXVFZSA-N 434.333 5.544 0 40 IKAB C[C@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1cccc(Cl)c1 57315440 KBRPTYTZAYLFQF-HNNXBMFYSA-N 425.891 5.021 0 40 IKAB CC(=O)c1ccc(N2CCN([C@@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 58219012 PEZAFOPWWJHLQD-HHHXNRCGSA-N 441.575 5.008 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)cc1Cl 58438690 NNEGKYBRWPQNSI-UHFFFAOYSA-N 436.339 5.662 0 40 IKAB Cc1ccc(Cn2c(SCc3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1 67259479 LZPUKNDGOAVHNU-UHFFFAOYSA-N 440.490 6.064 0 40 IKAB CC(C)Oc1cccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)c1 72394605 RKKLZKVPZSEXEM-OAQYLSRUSA-N 429.630 5.046 0 40 IKAB COc1ccc(-c2csc3ncnc(NCCc4nnc(-c5ccccc5)o4)c23)cc1 78990257 WFWHRDBPRQZWQR-UHFFFAOYSA-N 429.505 5.072 0 40 IKAB CCc1ccc(-c2cs/c(=N/c3ccc(SC(F)F)cc3)n2[C@H](C)COC)cc1 103370281 ZGSGZYHQNBCHDI-QSGGGSIRSA-N 434.577 6.534 0 40 IKAB COc1ccc([C@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1OC 103678087 FCWIWTUSHXFIBV-RUZDIDTESA-N 442.559 6.021 0 40 IKAB C[C@@H](c1nn(CN2CCC[C@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C 105948418 JIXVFDDGRDNDAW-KKSFZXQISA-N 443.567 5.099 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)cc3C)c(OCC)c2)cc1 107696297 BPEDJTBRQIWYHL-UHFFFAOYSA-N 448.563 5.730 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222825051 YRRNSFXQRRJKBV-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](CC(C)C)c2ccccc2)c1 223085363 UYQGOXVUFBJNNZ-HBVBNRCBSA-N 432.589 5.731 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 223888565 YZCXZLRFDLZEQK-ZEQRLZLVSA-N 431.609 5.078 0 40 IKAB O=C(NCCC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224015922 GPONFTHVNSHEKF-UHFFFAOYSA-N 434.989 5.231 0 40 IKAB CN(C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 224020393 HXMDMJHVJJPKNG-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)c1 224310324 LSZZPSADRDLSKF-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc(Br)ccc1Cl 225072304 OYQXBAJFXYFJMC-UHFFFAOYSA-N 448.719 5.751 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 225246679 QQUPDMKMGXJVIQ-QHCPKHFHSA-N 445.003 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225552577 OVCLYFXAYXSDPM-AJTFRIOCSA-N 444.619 5.803 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 225582729 SVSNZPXPYQWIQK-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257212606 CEEWAAJSTYUZRJ-NRFANRHFSA-N 446.566 5.294 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3ncccc23)CC1 257286063 PKAQBQVTSLCZKL-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB COc1cccc(Cc2ccc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)nc2)c1 257294085 QSJBQFIPJNSNQD-UHFFFAOYSA-N 443.566 5.691 0 40 IKAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257317227 VIWVPCYLEQKLLS-QGZVFWFLSA-N 447.510 5.323 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 257349130 LQYOPAXXSAPFCV-CXQHLGDDSA-N 442.728 8.061 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)nc12 408572274 HZVSLBRICKJYJD-ACCUITESSA-N 433.558 5.700 0 40 IKAB CCc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408575361 NZMGJTVJQSJUBM-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCc2ccccc2)cc(C)c1Cl 408703630 UZVVIAVWANOCLR-SFHVURJKSA-N 436.939 5.293 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1ccccc1 408815762 SAGFHUWPFGRUSG-ZDLGFXPLSA-N 448.338 5.093 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 408822310 LMKZRVXFJAWBDF-HAHDFKILSA-N 431.513 5.824 0 40 IKAB Cc1cccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)c1 409211819 NENKJSQMDNTTFJ-UHFFFAOYSA-N 436.625 5.098 0 40 IKAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409231542 LCKNTENXCANECY-DQPIFXJKSA-N 427.547 5.134 0 40 IKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@H](C)Oc1ccccc1 409340570 ZLYRKDNHZPBBJS-KRWDZBQOSA-N 432.549 5.322 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 409343631 FGEXZKWJWCVEPT-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB CC(=O)N1CCCCCCN(C(=O)c2ccccc2Br)Cc2ccccc21 643589207 QLVCSQIJKNYOHW-UHFFFAOYSA-N 429.358 5.018 0 40 IKAB C[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)COc1c(Cl)cccc1C(=O)O 2037854247 CYMJBQZSGUKXRL-INIZCTEOSA-N 441.886 5.346 0 40 IKAB CC(C)CN1C(=O)C2(CCN(Cc3cc4ccccc4o3)CC2)C[C@@H](O)[C@@H]1c1ccccc1 2037873449 LGNQZBCFFHVUPW-RSXGOPAZSA-N 446.591 5.006 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1 671779 HMACZQQJDUWRLZ-UHFFFAOYSA-N 425.507 5.312 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 854388 GECUJXKYKYTSDR-SFHVURJKSA-N 425.282 5.042 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878434 DKKKEANZJXGMQR-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB CC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)cc1OC(=O)c1ccc(Cl)cc1 1039604 PPTISZADKZEAMT-UHFFFAOYSA-N 429.255 5.634 0 40 IKAB biogenic Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c(C)c1 1268082 NKCOSRVESLDIMT-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB O=C(c1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)Cc1nc2ccccc2c(=O)[nH]1 1359904 FZBXFCWRLLNDDZ-UHFFFAOYSA-N 438.314 5.073 0 40 IKAB CC1=CC(C)(C)Nc2ccc(OC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)cc21 1833849 YPWSVPXYUJWHPU-UHFFFAOYSA-N 443.330 6.783 0 40 IKAB O=C(O)c1ccc2c3c(cccc13)C(=O)N(c1ccc3c4c(cccc14)-c1ccccc1-3)C2=O 2060556 FQKMFXYKWQDBAY-UHFFFAOYSA-N 441.442 6.139 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc(CC(C)C)cc4)cs3)c(=O)oc2c1 2201309 UWOWWXGKAFZHFP-UHFFFAOYSA-N 432.589 6.628 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 2453442 PKMCCBXTOLZSPR-UHFFFAOYSA-N 428.561 5.789 0 40 IKAB C[C@@H](C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ncc(C(F)(F)F)cc1Cl 3105477 KPYVSPPNFLPYRR-ZCFIWIBFSA-N 448.055 5.621 0 40 IKAB COc1ccc(Sc2nc(SCc3cccc(C(F)(F)F)c3)ncc2OC)cc1 3133183 VFSNEVZIGFLOGL-UHFFFAOYSA-N 438.496 5.956 0 40 IKAB Cc1ccc2nc(CSc3nnc(-c4ccccc4F)n3C3CCCCC3)cc(=O)n2c1 3348050 PVPSINQSKLFBGN-UHFFFAOYSA-N 449.555 5.198 0 40 IKAB O=C1CN([C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c2ccccc2N1 3359336 FMHLIJKKZLMBLC-OAQYLSRUSA-N 426.303 5.132 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@H](C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 4214466 WRGOVNKNTPWHLZ-CVEARBPZSA-N 447.339 6.123 0 40 IKAB in-man Cc1ccc2c(c1)[C@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C(C)C)CC1)O2 5297287 DYABFFMLJAJVKY-AREMUKBSSA-N 425.576 5.892 0 40 IKAB COc1cccc(CN(C[C@@H](O)COc2ccccc2C)C23CC4CC(CC(C4)C2)C3)c1 6051578 DTGUXZWHHOWIRO-JJXGVTDJSA-N 435.608 5.214 0 40 IKAB CCCCCOc1ccc(C(NC(=O)c2ccccc2)NC(=O)c2ccccc2)cc1OC 8384851 OZSUWYNHOOSAFC-UHFFFAOYSA-N 446.547 5.123 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 8846280 QEBAQORXXZIJBP-QHCPKHFHSA-N 444.462 5.174 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8874901 YTSAAUWGZRTHMJ-JEOXALJRSA-N 432.467 6.006 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 8985821 LQSBJXZKXJMVIH-LICLKQGHSA-N 446.503 5.432 0 40 IKAB COc1ccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)cc1 9101809 CDWQRFVNNCWKLN-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1Cl 9413642 BLPAEEPTZXXNLX-UHFFFAOYSA-N 438.842 5.739 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)cc1 9426779 FXYFWAYSZPUVQW-GOSISDBHSA-N 446.551 5.498 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 9444030 MNDCZJXVRLICBF-LJQANCHMSA-N 436.537 5.234 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)Nc1cccc(F)c1 9478394 GRIFEMOZLNPAJF-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB CCOC(=O)Cn1/c(=N/C(=O)c2sc3ccccc3c2Cl)sc2cccc(F)c21 9511336 WUEVFPJJALWQIL-ATJXCDBQSA-N 448.928 5.014 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)c1 9669318 UZKPGEKGWBRZHI-MUUNZHRXSA-N 448.522 6.490 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 9951418 QJIZWSWQFPIVDE-LJQANCHMSA-N 447.560 5.500 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)cc1 10013449 DBZOXYAHPCKLMB-XMMPIXPASA-N 442.515 5.437 0 40 IKAB Cc1ccc(NC(=O)NCCCc2ccccc2)cc1NC(=O)NCCCc1ccccc1 10101018 FOPRZPMFNCBVME-UHFFFAOYSA-N 444.579 5.504 0 40 IKAB CC[C@@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@H](C)CC 10866912 YDOBCWRJMIMCFE-ZIAGYGMSSA-N 449.667 5.241 0 40 IKAB Cc1c(CC(=O)NCCc2ccc(F)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 11867408 GANKWUPWTWWUPA-UHFFFAOYSA-N 435.495 5.186 0 40 IKAB O=C(COc1ccc2c(C(F)(F)F)cc(=O)oc2c1)Nc1c(Cl)cccc1Cl 12530309 SXILTKCUZPAUCL-UHFFFAOYSA-N 432.181 5.136 0 40 IKAB CCc1cc2c(SCc3nc4scc(-c5ccccc5)c4c(=O)[nH]3)ncnc2s1 12549926 PFYPRGPMSVPSAP-UHFFFAOYSA-N 436.587 5.511 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1-c1nccs1 12598840 MUQYWCCEUHUAEE-UHFFFAOYSA-N 433.628 5.122 0 40 IKAB O=C(Nc1ccc2c(c1)OCCCO2)c1cn(Cc2ccccc2)nc1-c1ccccc1 12689818 JSDAMKOCWNXHPH-UHFFFAOYSA-N 425.488 5.012 0 40 IKAB C/C(Cl)=C\CSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 13551198 KDRIEYXIDBJYRC-AWNIVKPZSA-N 447.029 5.190 0 40 IKAB COc1cccc(NC(=O)c2c(-c3ccccc3)csc2NC(=O)Cc2ccccc2)c1 13896765 IWRGTEXVNUGBGC-UHFFFAOYSA-N 442.540 5.857 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1C 13936103 ITMMOKRZYZZEHV-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C[C@@H]1CCCO1 13942730 PVGNHLSZDKOIGN-AFMDSPMNSA-N 442.946 6.213 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl 14272976 YDLLZYYTBSHGPN-FARCUNLSSA-N 445.538 5.526 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Br 16451276 NDMWZWKZYYCFSS-HXUWFJFHSA-N 429.697 5.884 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 16639364 NDXPTWUNQXCZKQ-IBGZPJMESA-N 442.559 7.440 0 40 IKAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(C)c(F)c3)n2)c1 16846588 NJUPKNAAFVAOHA-UHFFFAOYSA-N 443.525 5.046 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)nc2)cc1 17096625 BRTFZOBRZKXEKS-RBUKOAKNSA-N 429.564 6.613 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1sc2cc(Cl)ccc2c1Cl 17103278 VRENEZXKXABMMK-UHFFFAOYSA-N 439.433 5.781 0 40 IKAB COc1c(C)cccc1CN1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 19235928 YMIGXUQRSPBLFJ-AREMUKBSSA-N 435.612 5.048 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc(OCc2ccccc2)c1 19647139 FLAXGHNJIBMMBP-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 19810029 IUENIJLQQMNMOS-UHFFFAOYSA-N 447.857 5.429 0 40 IKAB Cc1n[nH]c(SCc2ccc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)n1 20293592 NZTKEKAXSABOHJ-UHFFFAOYSA-N 449.388 6.179 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)c(Cl)c1)CO3 20609878 IUQPMEWHMIIMPD-UHFFFAOYSA-N 438.310 6.119 0 40 IKAB biogenic CC[C@@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 20611302 FPLLHQFGBGPGLL-QGZVFWFLSA-N 430.508 5.167 0 40 IKAB O=C(NC(N1CCC(Cc2ccccc2)CC1)(C(F)(F)F)C(F)(F)F)c1ccccc1 20792452 TZKQJJVRFUMJSF-UHFFFAOYSA-N 444.419 5.192 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1F 21005721 QQFAHZVBYFRTAI-XMMPIXPASA-N 443.478 5.173 0 40 IKAB Cc1ccc(OCCN(C)C(=O)c2ccccc2-c2ccc(Cn3ccnc3)cc2)cc1 24752024 BMBLDZMUAJGJOH-UHFFFAOYSA-N 425.532 5.058 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2-c2ccccc2)cc1 27520481 SKOBEZQTDQHMKP-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB CCc1ccc(OCC(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27746162 UCYBTDCBORVKLB-XMMPIXPASA-N 428.532 5.066 0 40 IKAB CN(C)c1ccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(C(F)(F)F)c1 32832463 RSPKXMZEMFSHNE-UHFFFAOYSA-N 447.071 6.032 0 40 IKAB O=C(O)[C@H](COCc1ccccc1)NC(c1ccccc1)(c1ccccc1)c1ccccc1 34585522 KZXXUIGNKMSOOX-MHZLTWQESA-N 437.539 5.238 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 35648068 GMCWDYUCFIHOAP-UNOMPAQXSA-N 443.355 6.898 0 40 IKAB O=C1CCN(C(=O)c2cccc(COc3ccccc3Br)c2)[C@@H]2CCCC[C@@H]12 35679132 MSEUBFSLANQSIS-UYAOXDASSA-N 442.353 5.002 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)c1cc(F)ccc1Br 40122724 WWSQDOHCLHRQMB-UHFFFAOYSA-N 448.679 5.141 0 40 IKAB O=C(O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1Cl 41127457 ZMDBOQNCCNKBCD-UHFFFAOYSA-N 442.696 6.205 0 40 IKAB C[C@@H](NC(=O)c1oc2ccccc2c1CSc1ncccn1)c1ccc(F)c(F)c1 58166810 ZMGGLEJLNQRBMA-CYBMUJFWSA-N 425.460 5.284 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OCc2cccnc2)c1 59314481 SKNUBNORODMFAI-UHFFFAOYSA-N 437.858 5.669 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCSCC1 72328510 GHJHXFJQJUCWLU-UHFFFAOYSA-N 449.473 5.194 0 40 IKAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SCCC(F)(F)F)cc1Cl 96905140 YHCQZVLBHJTOPB-UVTDQMKNSA-N 446.903 5.839 0 40 IKAB CCc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 101638871 MPBXHPONGCMAOM-QHCPKHFHSA-N 430.349 6.417 0 40 IKAB O=C1/C(=C/Nc2cc(Cl)cc(Cl)c2)c2ccccc2C(=O)N1c1ccccc1Cl 102994823 MDVVYHMMSTXOLF-LDADJPATSA-N 443.717 6.287 0 40 IKAB COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 136658596 MXIRVGLZZCTMMC-FOCFSEODSA-N 433.507 5.119 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cccc5ncccc45)sc3n2)c1 215676793 UITGLRCSSVUUDQ-UHFFFAOYSA-N 426.501 5.355 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)NCCSc1ccc(Cl)cc1 218942812 MFAYQHLJKYNZEE-UHFFFAOYSA-N 435.170 5.043 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 223014840 JMEVPIJYEPCREP-LJQANCHMSA-N 430.372 5.648 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223123174 WLTJSJCHMODSSB-VWLOTQADSA-N 448.994 5.315 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 223138270 MEGIHWGRACYNAO-MRXNPFEDSA-N 440.436 6.242 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCCC2)c1Cl 223996271 IXVVOPRXRZCSPU-UHFFFAOYSA-N 442.843 6.539 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 224212039 KYYQASDTUYSVTN-DQEYMECFSA-N 440.572 5.366 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 224245238 UXPUAIOGOUIXAH-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1C 224301749 KXDKPLCRWMYVAO-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224354065 KBJPCHBXXIIAGE-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 224379659 ZZIOYFOKSMDXHD-FTJBHMTQSA-N 439.584 6.642 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1cccc2ccccc12 224630266 ISXVTKORSWDJFY-UHFFFAOYSA-N 439.555 7.193 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1 224754597 RDWRVWFUAXWSDG-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 224812092 OKSVKHSDLRRVJN-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 225188366 YEMRFJKIQPYARR-FQEVSTJZSA-N 440.603 5.389 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225286110 SXYGLNOUHAEDLB-DLBZAZTESA-N 435.395 5.258 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1C)CC(C)(C)O2 225369018 FWDIKQFPLUCMEV-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(F)(F)F 225765062 PIWZMUMJJQEUDN-UHFFFAOYSA-N 425.878 6.598 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 227144718 ADNKASRGXZEDDW-UHFFFAOYSA-N 439.231 5.871 0 40 IKAB CC1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3Cc3ccc(/C=C/C(=O)O)cc3)C[C@@H]21 257217697 DAEWRYRIIOAOLW-BDXKCPEYSA-N 433.548 5.068 0 40 IKAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257236736 HDNMFUYENKPRAT-JOCHJYFZSA-N 431.923 5.834 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257328628 XGMBJLRYCOWXBG-NRFANRHFSA-N 435.430 5.176 0 40 IKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 260830843 UHAJYWMXWKZCCQ-ZBFHGGJFSA-N 425.787 5.736 0 40 IKAB COc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)c(Cl)c1 408577175 ROQZUVSNHSTDEY-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)c(C)s1 408579871 KWNQZMKIFFXNKE-UHFFFAOYSA-N 430.323 5.229 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3ccccc3I)cc2)c(C)s1 408581338 WGDPJTGCADHFEJ-UHFFFAOYSA-N 434.302 5.284 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@H]1c1ccccc1OCC 408989724 LSYDXXZIWQHSEO-NRFANRHFSA-N 444.984 5.510 0 40 IKAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409018710 YOFCUQNJCCLTDN-MQHRVFIMSA-N 440.304 5.241 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(OCC)c(OCC)c2)C1=O 409199239 AJUYZXGZPWNJRZ-VBKFSLOCSA-N 442.375 5.473 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)OCC(C)C)C1=O 409213738 UKVAEUXKACIOIW-BKUYFWCQSA-N 441.549 5.254 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O[C@@H](C)CC 409239831 FMRQADXECDDAMO-DORSJAEJSA-N 442.943 5.317 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1ccc(Cl)cc1 409251827 QJDACEXYNUTZGN-YVLHZVERSA-N 433.678 6.004 0 40 IKAB COc1cccc2cc(C(=O)N3CCC[C@]4(CCCN4Cc4ccc(F)cc4)CC3)oc12 585100405 QKXYFNAMQGVOKO-SANMLTNESA-N 436.527 5.241 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccccc1Cl 585655886 ZWUZPDVSVHHIHD-UHFFFAOYSA-N 444.800 6.823 0 40 IKAB O=C(Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1)c1ccccc1 606422436 GXPWBQMVJOXCHT-UHFFFAOYSA-N 441.491 5.449 0 40 IKAB CC(C)c1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)c(C(N)=O)c2)cc1 642151549 VSHWCJJQROXGPS-UHFFFAOYSA-N 442.494 5.153 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3c2ccc2ccccc32)ccc1OC(=O)c1cccs1 716654 SUPYVCHRVIGCDB-LJQANCHMSA-N 429.497 5.603 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)c1 877958 QDCVDNLEHCCXNW-UHFFFAOYSA-N 434.565 5.248 0 40 IKAB CC(=O)O[C@@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@@H](c2ccc(C)cc2)C1(C)C 1075120 VFYZBKMASOPBDO-XZOQPEGZSA-N 428.960 5.282 0 40 IKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1 1371305 FOJMEAIYDGMRQI-UHFFFAOYSA-N 439.559 5.099 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 2345865 DQCMCAGBGDHVCR-UHFFFAOYSA-N 445.613 6.276 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(F)c2)cc1 2350013 NSYXENNOCDEIGA-UHFFFAOYSA-N 438.553 5.098 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2353756 FYGBVAZJOKCNGE-UHFFFAOYSA-N 443.576 5.358 0 40 IKAB NC1=C(c2nc(-c3ccccc3)cs2)[C@@H](c2ccco2)c2c(c3ccccc3oc2=O)O1 2371860 AYMVFKCJJBANOF-IBGZPJMESA-N 440.480 5.361 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(F)cc3)ccc12 2441225 UISBEASWNOPWFV-UHFFFAOYSA-N 425.253 5.941 0 40 IKAB biogenic Cc1ccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2)c2ccccc2)cc1Cl 2645664 QARSUVURYWBXKT-OAQYLSRUSA-N 434.952 5.701 0 40 IKAB Clc1ccc(Sc2ccccc2CSCc2ccc(Cl)cc2Cl)cc1 3104410 UQZSNTMVWVYXHB-UHFFFAOYSA-N 425.833 8.231 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)COc1ccc(C(=O)c2ccc(F)cc2)cc1 3369439 UNUNWTNMDIZFFL-UHFFFAOYSA-N 427.859 5.045 0 40 IKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 3658702 FKDJZYXTMPXRIN-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 7238938 HFRQAGOLQJVGTH-UHFFFAOYSA-N 425.576 6.209 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(Cl)c4)nc3c2)cc1 9064779 NBPRJXDVIAGDBV-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc(Br)cc2C(C)C)[nH]1 9095855 SERYQUBMCHIPLA-UHFFFAOYSA-N 445.386 5.397 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@H]1c1nc2ccccc2s1 9168728 DHRGDYUFFQUCAV-FQEVSTJZSA-N 449.601 6.171 0 40 IKAB Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2Cl)cc1 9250047 HKPQNEQPEUUOHS-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc2ccccc2c1 9271871 MZWMTCMNWZBCGV-SDNWHVSQSA-N 443.333 7.016 0 40 IKAB Cc1ccc(NC(=O)Nc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1C 9324557 QSYCHOVTUVVDDA-UHFFFAOYSA-N 432.958 5.427 0 40 IKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@@](=O)C3)CC1 9413421 YJFUMOKBKNJOIJ-QXKGYIFTSA-N 434.005 5.223 0 40 IKAB O=C(COc1ccc(Cl)cc1N1C(=O)c2ccccc2C1=O)c1ccc(Cl)cc1 9425963 YTHQDTBJIDFMDB-UHFFFAOYSA-N 426.255 5.056 0 40 IKAB CC(=O)N1CCN(c2ccc(Oc3nc(C)nc4scc(-c5ccccc5)c34)cc2)CC1 9469858 ZTGXCICBUKBVGE-UHFFFAOYSA-N 444.560 5.128 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CSc3ncnc4sc(C)c(C)c34)c2)cs1 9548747 DBZMRMFXDNQPGA-UHFFFAOYSA-N 426.592 5.471 0 40 IKAB COCCn1c(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)nc2ccccc21 9562388 RAZWQWPGHWRLIA-UHFFFAOYSA-N 443.878 5.086 0 40 IKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1ccc(Br)cc1 9582660 DARIAZMGWWZMQX-UHFFFAOYSA-N 438.397 5.157 0 40 IKAB COc1ccccc1-c1nnc(SCc2c(C)noc2C)n1-c1ccc(Cl)cc1 10022309 RBOJODZGQNRSQR-UHFFFAOYSA-N 426.929 5.493 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Cl)cc4Cl)cc3)oc2cc1C 10120317 YWDHXTFPLZDRGJ-UHFFFAOYSA-N 425.315 6.348 0 40 IKAB CC(C)c1nc2oc3c(=O)n(Cc4ccc(Cl)cc4)cnc3c2c2c1COC(C)(C)C2 12324916 PEAFSHOLIRMCDW-UHFFFAOYSA-N 437.927 5.214 0 40 IKAB CCc1c(C)sc2nc(C)nc(SCC(=O)Nc3ccccc3-c3ccccc3)c12 12500067 FQUDCIQLQQMBBG-UHFFFAOYSA-N 433.602 6.268 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1Oc1ccccc1Cl 12763686 NUJIZOAGMZTQNJ-UHFFFAOYSA-N 426.950 6.499 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 12783918 YACGOJNYKWVWAJ-UHFFFAOYSA-N 440.612 7.268 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2cccc(C)c2)c1 12817477 BHKDGTPAASSGNJ-RTWAWAEBSA-N 430.548 5.511 0 40 IKAB COc1cccc(NC(=O)CSc2cc(-c3ccccc3)c3ccc(OC)cc3n2)c1 13018085 GEVXOQWSOURSPZ-UHFFFAOYSA-N 430.529 5.650 0 40 IKAB Cc1ccc(Nc2nc(COC(=O)/C=C/c3c(C)nn(-c4ccccc4)c3C)cs2)cc1 13063158 RZUJYEPDEPTFSP-BUHFOSPRSA-N 444.560 5.754 0 40 IKAB CCC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 13500098 FCMQLBSZLNMPDC-QHCPKHFHSA-N 448.615 5.224 0 40 IKAB Cc1ccc(-c2nc(/N=c3\cc(-c4cccs4)oc4ccccc34)sc2C)cc1C 13685653 SFNMMFYOMBHQEX-LHLOQNFPSA-N 428.582 7.442 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)c1ccccc1 14122861 CHCNTYHAWBYJRR-LJQANCHMSA-N 439.899 6.001 0 40 IKAB Cc1c(C)n(-c2nc3ccccc3s2)c2ncn3nc(-c4ccccc4Cl)nc3c12 15842387 BBALUMASIYTAIQ-UHFFFAOYSA-N 430.924 5.615 0 40 IKAB Cc1c(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)oc2ccccc12 16266651 VJZARGYTWOZSBE-UHFFFAOYSA-N 437.282 7.109 0 40 IKAB C[C@@]12CC3CC(NCc4c(OCc5ccc(F)cc5)ccc5ccccc45)(C1)C[C@](C)(C3)C2 16605717 ZEUSGPWUMRWCFY-HCWJTZRGSA-N 443.606 7.397 0 40 IKAB Cc1cc(O)c(C(C)C)cc1NC1=NC(=O)S/C1=C\c1cccc(Oc2ccccc2)c1 16779522 YNTHVZRRKRONLV-OYKKKHCWSA-N 444.556 7.335 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccccc1F 16840618 CXCZHFXCQKIGQG-UHFFFAOYSA-N 428.492 5.419 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCn1cnc2sc3c(c2c1=O)CCCC3 18185021 FWAVLPGEGLPJTF-UHFFFAOYSA-N 444.000 5.144 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373242 DBDSASBWIGXABK-QHCPKHFHSA-N 439.494 5.399 0 40 IKAB C[C@@H](NC(=O)CCn1nc(C(F)(F)F)c(Cl)c1C1CC1)C12CC3CC(CC(C3)C1)C2 19639483 FQBBCQDMDDGDSG-CSNVJCEJSA-N 443.941 5.544 0 40 IKAB COC(=O)c1c(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)sc2c1CC[C@@H](C)C2 19809861 KKSJSDJYTHSLAT-GFCCVEGCSA-N 429.925 5.241 0 40 IKAB CCc1cc2c(=O)c(-c3cnn(-c4ccccc4)c3)c(C)oc2cc1OCc1ccccc1 19898716 NXEFDLQNQCFXJZ-UHFFFAOYSA-N 436.511 6.096 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20458999 JDHYSGJKPVDBLA-MHZLTWQESA-N 444.600 5.084 0 40 IKAB Clc1ccc2c(c1)[C@H](c1ccccc1)Nc1ccc(Cl)cc1[C@H](c1ccccc1)N2 23190950 VMAFQGYDGSQDGZ-UIOOFZCWSA-N 431.366 7.710 0 40 IKAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2SC[C@H]2CCCO2)n1 24222822 ZGQBWUCPVAXTSE-MRXNPFEDSA-N 440.590 5.651 0 40 IKAB CC(C)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2)c(=O)n(-c2ccccc2)n1C 25053013 ZMNNLGJRPMIMLI-MDZDMXLPSA-N 430.335 5.258 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccn(COc2cccc(Cl)c2Cl)n1 28229541 XOXOUVVHDULLFN-UHFFFAOYSA-N 430.213 5.498 0 40 IKAB CCc1ccc2oc(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2c1 28293021 XXHLNCATNXENBM-DEOSSOPVSA-N 446.591 5.436 0 40 IKAB O=C(CNc1ccccc1Oc1ccccc1Cl)Nc1ccccc1C(=O)NC1CC1 28662162 AGEBPBBCDMTVQE-UHFFFAOYSA-N 435.911 5.075 0 40 IKAB O=c1oc2cc(Br)ccc2n1CN1CCCC[C@H]1c1nc2ccccc2s1 29500684 NCXRWTNWMJJOFC-INIZCTEOSA-N 444.354 5.151 0 40 IKAB COc1ccccc1/C=C(/C(=O)Nc1ccc(N2CCCC2=O)c(C)c1)c1ccccc1 32907948 AOZUWAJHRGALBK-PTGBLXJZSA-N 426.516 5.310 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 33713488 GRWMIOKBHSMXQW-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cc(C)ccc2C)c1 35074372 URVLVZQGNWWBIC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(OC(F)(F)F)cc1 40074317 OWPYVLDFOJAOPD-LBPRGKRZSA-N 440.368 5.328 0 40 IKAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2cccc(Cl)c2Cl)C1 44803531 LSBDJKJFJGNFFS-AWEZNQCLSA-N 445.350 5.190 0 40 IKAB COc1ccc(CN(C)Cc2cc3ccc(SC)cc3nc2Cl)c(OC)c1OC 57358652 BCDDMLUHXGFIAL-UHFFFAOYSA-N 432.973 5.268 0 40 IKAB Cc1ccc(CSc2nc3ccc(N4C(=O)c5ccccc5C4=O)cc3s2)c(C)c1 59474755 KOYFLNKQQSMELB-UHFFFAOYSA-N 430.554 6.006 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)cc4Cl)nccn3n2)cc1C 67290007 AEKDDDAOBNGAKG-UHFFFAOYSA-N 440.931 5.536 0 40 IKAB Cc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293048 NVZUXLDCAPHBRT-IFMSOTMUSA-N 431.319 5.189 0 40 IKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)cc4)s3)oc12 67339436 QDEAPDWMXUGDRC-BQYQJAHWSA-N 438.936 6.102 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@H]3C2=O)c1 102090497 VAYQBXMHMLTKPN-OTLGMJNYSA-N 437.495 5.108 0 40 IKAB CCCC[C@H](CC)COc1cc(C=O)c(OC[C@H](CC)CCCC)cc1Br 117848729 SBIYPVFZPRKKOC-MOPGFXCFSA-N 441.450 7.452 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NCCSCc1ccccc1F 218905410 DHZHSRPJQVCNTB-UHFFFAOYSA-N 448.357 5.170 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1Cl 219846149 HEZPFEYQYOQVNO-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223072622 MDCDMFNNWRBNMQ-WOJBJXKFSA-N 443.031 5.728 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223312077 BPEJOHVACNUJDS-QHCPKHFHSA-N 438.612 5.219 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223321453 ISENZCOTEAPPEG-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(OCCSc2ccccc2)cc1 223620238 BMAYFYRQESMYSJ-UHFFFAOYSA-N 443.568 5.820 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 223790999 OQXNOZFWUFGRGC-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 223792795 GDUPMAVNFPOYHX-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223855892 WHAAOLQCVUPFRC-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224049290 LMZOHLUOGCTBPY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 224643889 OGJXQDJBHFGVGF-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 224658502 RWMXOOSBRHYDPV-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224671691 GZMYKUJVOIAMAZ-QFIPXVFZSA-N 434.624 5.609 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224677675 CHAIZDWMHNOOOW-JWQCQUIFSA-N 440.572 5.698 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1C1CCCC1 225025340 KVCXLJVVIBZWBR-IZZNHLLZSA-N 438.600 5.941 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 225138235 CGKWIUSHWFVCEY-LJQANCHMSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225417112 YMYLWLNIMFFUHK-RUZDIDTESA-N 438.612 5.085 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 225659188 NKMVZDWERZRMLZ-LJQANCHMSA-N 447.044 5.320 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225698543 XVFAYVQSTWHGOT-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)c2ccccc12 225767445 CYMAHADIXVSQLD-UHFFFAOYSA-N 428.359 6.996 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OC 225767905 WZLNWOZXTHUUMJ-GOSISDBHSA-N 439.552 5.500 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)NCc1cccc2ccccc12 225833970 YUFVMTIRVXWFKC-UHFFFAOYSA-N 433.511 5.806 0 40 IKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cn1 225870695 UFTVCVJXAORUQD-UHFFFAOYSA-N 437.367 5.644 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)c1cc(N)ccc1N1C[C@@H](C)C[C@@H](C)C1 226324408 AVQPOMQYUQXGJW-OKILXGFUSA-N 430.390 5.383 0 40 IKAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@H](Oc3nc(C(C)C)nc4sc(C)c(C)c34)C2)C1 248200988 VUOUDCPITFNXCY-OTWHNJEPSA-N 445.629 5.007 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(Cc4ccc5c(c4)CC(C)(C)O5)C3)nc2)c1 257234360 GTEVURLXOGYNDD-DEOSSOPVSA-N 442.603 5.774 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257256308 KKXDASJUXRFDBL-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OC(C)C 260780930 RXCDRNCCRKPRCY-ORYQWCPZSA-N 446.016 5.900 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)N2CCCCC2)c2ccccc2)cc1 408564266 UPTSGVXISVJUGE-LKUDQCMESA-N 440.543 5.501 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 408611141 SBWZGDRLQBKDCW-UHFFFAOYSA-N 440.908 5.448 0 40 IKAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCc1cccc(C)c1 408807067 KBMAJILUXKVOEC-UHFFFAOYSA-N 449.527 5.485 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4F)c(OC)c3)C(=O)O2)cc1 409009218 ZWUFBISXNNWLCP-HMAPJEAMSA-N 447.462 5.157 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409096614 GEUIHDXVYAPMPM-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C)c3)cc2)cc1 409178989 OPVOBIQNIBDERU-GOSISDBHSA-N 440.590 5.224 0 40 IKAB O=C(O)c1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]21 409337017 SJOHSWVVQUXVAQ-MVBZQLRHSA-N 442.309 5.173 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)c(Br)c1 888475 VRIGVUQRYOSVSA-UHFFFAOYSA-N 448.411 5.372 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccc(Br)c1)N1CCCCC1 1147419 HKLQYJCFKJCHPN-OUKQBFOZSA-N 436.353 5.328 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccco4)ncnc32)cc1 1447609 XFNHETURQZYIMK-UHFFFAOYSA-N 445.320 6.055 0 40 IKAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)[C@@H](C)CCC4)cc1 2294035 UHLYIAFCCLDNLS-INIZCTEOSA-N 448.613 6.188 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccco1)Nc1ccccc1F 2444951 URTWEJAGGCXOFI-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB O=C(NCc1cccc(CNC(=O)Nc2ccc(Cl)cc2)c1)Nc1ccc(Cl)cc1 2652783 DHVFTVXEQWWMLR-UHFFFAOYSA-N 443.334 5.637 0 40 IKAB Cc1nn(C(C)(C)C)c(OC(=O)c2cccc(Br)c2)c1Sc1ccccc1 2713911 PSEJCWUTDBFZBU-UHFFFAOYSA-N 445.382 6.079 0 40 IKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2Cl)nn(CN2CCCCC2)c1=S 3243395 HSQXFPZTTYDVCE-UHFFFAOYSA-N 433.408 6.129 0 40 IKAB CC(C)N(C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3289550 PGSKJIKNPXGETJ-UHFFFAOYSA-N 446.572 5.664 0 40 IKAB CCc1ccc(OCc2nnc(SCc3c(F)cccc3Cl)n2CC(C)C)cc1 3318164 JUBIISIAPBGHLY-UHFFFAOYSA-N 433.980 6.160 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109799 NKJWAGQUEBSWGC-UHFFFAOYSA-N 433.257 5.630 0 40 IKAB CCCCNC(=O)/C(=C\c1ccc2c(c1)c1ccccc1n2C)NC(=O)c1ccccc1 4601170 YESVRFUQKINDEL-PTGBLXJZSA-N 425.532 5.019 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 6016163 DHBOQZXTVSPFEN-UHFFFAOYSA-N 429.589 6.720 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 7343503 LDJPPGFAIGTIMA-UHFFFAOYSA-N 427.548 6.324 0 40 IKAB CC(C)(C)c1cc(C(F)(F)F)c2c(N)c(C(=O)C34CC5CC(CC(C5)C3)C4)sc2n1 8451237 IOLIXEYVJVSRQJ-UHFFFAOYSA-N 436.543 6.594 0 40 IKAB Cc1cc(C)n(-c2nc3ccccc3nc2Nc2ccc(Cl)c(C(=O)OC(C)C)c2)n1 8594228 ZUGDPLZTZGTAIO-UHFFFAOYSA-N 435.915 5.395 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(Cl)c1C 8605278 MGXZLUZFULPEMD-UHFFFAOYSA-N 435.954 5.273 0 40 IKAB aggregator COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 8831978 VIMHNSHOOBBJPF-UHFFFAOYSA-N 444.531 6.261 0 40 IKAB COc1cccc([C@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 9288248 DFOJDZAHRWXKCR-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB Cc1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)cc1 9308525 GLMWGHAOSJZCDT-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB CCc1ccccc1OCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 9345422 QHALKIRVMFZUFR-UHFFFAOYSA-N 428.532 5.494 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)c1 9371835 PAASGCQYBMQREW-JHFSOIRNSA-N 437.495 5.108 0 40 IKAB COCCN(CC(=O)Nc1cccc(C)c1C)C(=O)c1sc2cc(F)ccc2c1Cl 9464150 GDFQWHKPENSOHA-UHFFFAOYSA-N 448.947 5.038 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccccc4N4CCCC4=O)cc3)o2)cc1 9536435 JOOCECQQTSRYAS-UHFFFAOYSA-N 438.487 5.091 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c(Br)c1 9635873 HPGOREKOPLRYAZ-UHFFFAOYSA-N 437.765 5.337 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Br)cc3)c3c2cnc2ccc(C)cc23)cc1 9675910 SWDCTRJYSWZDBH-UHFFFAOYSA-N 428.333 6.620 0 40 IKAB O=S(=O)(Nc1cccc(-c2csc(-c3ccccc3)n2)c1)c1ccc(Cl)cc1 9860929 QSVGZYHNMLETBP-UHFFFAOYSA-N 426.950 5.931 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nc2c1 9892097 IRCZHKMEPOXQFT-UHFFFAOYSA-N 427.485 5.676 0 40 IKAB O=C(O)c1cc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)ccc1O 9910394 XUWLXMRYNPQJGK-UHFFFAOYSA-N 436.265 5.207 0 40 IKAB Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ccccc5O)CC4)c23)cc1 9951199 NJEXVXZSPGKYSE-UHFFFAOYSA-N 444.560 5.227 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1ccc(Cl)c(Cl)c1)S(C)(=O)=O 10434091 CJXIGSDRYGNSSG-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CCc1nn2c(ncc3c(=O)n(-c4ccc(C(C)=O)cc4)ccc32)c1-c1ccc(Cl)cc1 12409197 FHPIBAAVYQQFPX-UHFFFAOYSA-N 442.906 5.119 0 40 IKAB Cc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)cc1 12447762 HBGQBZNLPDCONO-SSOJOUAXSA-N 448.975 5.517 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)c1ccc2c(c1)OCCCO2 12903117 FRDSEUDQNXMJBK-UHFFFAOYSA-N 428.513 5.433 0 40 IKAB CCN(C(=O)c1cccnc1SCc1c(C)noc1C)c1nc2c(C)cccc2s1 13018490 XLQGQDUPPLTZJN-UHFFFAOYSA-N 438.578 5.564 0 40 IKAB CCCn1c(C)cc(C(=O)COC(=O)c2c(C)nn(Cc3ccc(C)cc3)c2Cl)c1C 13063478 RSBQBGCFCVYRDF-UHFFFAOYSA-N 441.959 5.070 0 40 IKAB O=C(CN(CCc1ccccc1)C(=O)c1ccccc1-c1ccccc1)NC1CCCCC1 13084458 NSKBIAGRQFPXGG-UHFFFAOYSA-N 440.587 5.487 0 40 IKAB CC[C@H](C)c1ccc([C@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 13121287 AIPRZFGKVNCZKX-AOMKIAJQSA-N 431.561 5.028 0 40 IKAB CSc1nc(Cl)c(-c2ccccc2)c(N2CCC(C(C)=O)(c3ccccc3)CC2)n1 13561568 RHIQACWJPADMGU-UHFFFAOYSA-N 437.996 5.646 0 40 IKAB Cc1cc(I)ccc1NC(=O)CC(c1ccccc1)c1ccccc1 13717017 VHSCVXJYTWPRKU-UHFFFAOYSA-N 441.312 5.760 0 40 IKAB CN(C(=O)c1ccccc1C(=O)OCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1 15354870 OBJCBJYCHQDCMX-UHFFFAOYSA-N 446.890 5.629 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)cc4Cl)ccc3O)oc2cc1C 16284183 XSHHFLISUFNJPC-UHFFFAOYSA-N 427.287 6.376 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 16429707 HGUHOAREQIADAG-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB C[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 16608438 YXOHRYLHCVUPMD-YHBROIRLSA-N 442.648 6.359 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccccn2)c1 16736776 PPJLHFFECZMINH-QHCPKHFHSA-N 426.472 5.035 0 40 IKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(NS(=O)(=O)c4ccccc4)cc3)n2)cc1 17042899 NJDFMJLRTXDPFA-UHFFFAOYSA-N 445.548 5.381 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cc(Cl)ccc1C 17098468 WMAQMGXCUKCEJU-UHFFFAOYSA-N 433.527 5.434 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc5ccccc45)cc3)nc2c1 17100272 FKSINTJJXIYALR-UHFFFAOYSA-N 436.511 6.789 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccco2)c1 17121947 KGOHMFMUXNJTRY-UHFFFAOYSA-N 433.577 5.828 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)o1 19236544 WQYVGXDIYNFJOO-LJQANCHMSA-N 429.520 5.298 0 40 IKAB Cc1cc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)c2c(C)nn(-c3ccccc3)c2n1 19647420 ZCMJMIZVSCJNFZ-UHFFFAOYSA-N 448.530 5.353 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)c(C)c4)cc3)nc2c1 19648278 FWWMPPFKHBACRS-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4cc5c(C)cccc5[nH]4)C3)nc2)c1 19690387 HVDXRUVVLUGBOK-JOCHJYFZSA-N 439.559 5.491 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22511623 IMXRRWYJOMVXLA-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB Cc1ccccc1-n1c(SCc2nnsc2Cl)nc2sc(C)c(C)c2c1=O 24992625 WCSZTHYNXRHMHA-UHFFFAOYSA-N 434.999 5.170 0 40 IKAB Cc1ccc([C@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 25068680 IJVWBKWMMUUCTE-OFNKIYASSA-N 433.577 5.206 0 40 IKAB O=C(c1cccs1)N(Cc1ccc(OCc2ccccc2Cl)cc1)c1ccccn1 28293496 UUCPPIQYSOOMLT-UHFFFAOYSA-N 434.948 6.223 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3Cl)n2C)c1 33737367 ZCKXNAOWVWEIET-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OCC 34799190 YIICTNGHIZDOAB-UHFFFAOYSA-N 432.516 5.971 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)CSc2ccc(Cl)cc2)c1 34930864 VIRRCEJFBSMYQI-UHFFFAOYSA-N 436.002 5.074 0 40 IKAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 44882619 UQDQDWUAWOBFHG-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2Cl)cc1 44901322 VBPCELGCBQWAMO-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCN(C(=O)C1CCN(c2ncnc3sc(C)c(C)c23)CC1)c1ccccc1Cl 48310238 CENSSLITUKKMIS-UHFFFAOYSA-N 428.989 5.231 0 40 IKAB COc1cccc(Cn2c(SCc3cccc(F)c3)nc3c(oc4ccccc43)c2=O)c1 67259841 DRFRGZAVHZSKJQ-UHFFFAOYSA-N 446.503 5.631 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(F)ccc1Cl 67294542 KODLWDZCOHWQOS-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB CCOC(=O)c1cc(-c2ccc(Br)cc2)c2c(C)nn(-c3ccccc3)c2n1 71405469 WJIOUVPTZUDDJA-UHFFFAOYSA-N 436.309 5.335 0 40 IKAB CCN(CC)[C@H](C(=O)Nc1ccc(NC(C)=O)cc1Cl)c1cccc(C(F)(F)F)c1 72284692 RBMVZSFJPPPQDV-IBGZPJMESA-N 441.881 5.339 0 40 IKAB CC(=O)NCc1ccc(-c2csc(Cc3cn4cc(Cl)cc(Cl)c4n3)n2)s1 84774032 KXVRTSKIRWLEFM-UHFFFAOYSA-N 437.377 5.053 0 40 IKAB CCc1ccc(-n2c(S[C@@H](C)c3nnc(C(F)(F)F)o3)nc3ccccc3c2=O)cc1 95972808 LGUAGMWIMFVMNU-LBPRGKRZSA-N 446.454 5.203 0 40 IKAB CCCn1c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)nc2ccccc21 102230930 YGKIWMFUNFTFFQ-KILAXVPQSA-N 430.390 5.509 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4Cl)C3=C(O)C2)cc1 102475957 ZFZYIBJMDUUYFX-MRDQGFSESA-N 430.935 6.978 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC 102665111 JMBQVHKBHUJOLX-OYHNWAKOSA-N 436.899 5.014 0 40 IKAB COc1cc(Br)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1OC 106707163 DPBMPIFOGKJPAI-NVMNQCDNSA-N 448.338 5.011 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccc(C)cc1 106975234 CWHUPHVHTMKBCO-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB COC(=O)CC[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[C@@]21C 123288534 DVIUCIPCTDVQAP-NEVXCOBLSA-N 432.645 6.166 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 195671138 ORLDMBFPLNDCNV-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB C[C@@H]1[C@H]2C3=CC[C@@H]4[C@@]5(C)CCC(=O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(CO)CC[C@H]1C 205370512 AGROEMJMHCZRDH-XLBYEEBTSA-N 440.712 7.205 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222816184 ADPLYNOHRFLMIR-GOSISDBHSA-N 429.004 5.167 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 223101927 UMWBENPBAJZAKQ-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)cc(C)c1Cl 223143635 MCDZNOUQIVPYKA-CQSZACIVSA-N 433.986 5.507 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223343369 TUOKCEPUOWKAKQ-VWLOTQADSA-N 434.967 5.526 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223413382 ZIOYZCKDKKQIBJ-RUZDIDTESA-N 434.967 5.526 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 223461728 BADLBROVGYKYNS-OAQYLSRUSA-N 438.612 5.085 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223476567 MRTYUPSHOBGDTI-XMMPIXPASA-N 438.930 5.275 0 40 IKAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 223766226 ATDNBBWDAZTBBL-LJQANCHMSA-N 433.523 5.367 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224051836 RQIBJWKRKXKIBN-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(C)c2C)c1 224153827 VJIKGCXVDVZERN-UHFFFAOYSA-N 447.940 5.567 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccc(C)c(C)c1 224622585 DXVNRVOATHMMNE-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 224670792 IHJNDZOCBHYGPM-KRWDZBQOSA-N 425.981 6.522 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 224891361 UWMBIACFWOUQEQ-ZDUSSCGKSA-N 433.733 5.568 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225095513 FORDRQSLMMONOE-MHZLTWQESA-N 442.603 5.542 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225119810 HOBIDKQMCNKGPS-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cccc4c(Cl)cccc34)nc2c1 226282154 LZJIKAPBPOMYRA-UHFFFAOYSA-N 432.829 6.525 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)C(C)(C)C)CC1 257230795 GDYAISNPZXRAKC-UHFFFAOYSA-N 438.587 5.215 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257242878 IEOVMODGCPWKNZ-QHCPKHFHSA-N 431.923 5.834 0 40 IKAB C[C@H]1C[C@@H](C)[C@H](C)[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@H]12 257346836 APXOQDSIAUQKAU-SERTVIBESA-N 426.729 7.881 0 40 IKAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc4ccccc4c3)C2)cc1 408533755 QMQHDEWIKYBFDL-JOCHJYFZSA-N 436.577 5.003 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(Cl)cc1 408561360 IHLNOMHWVMHANV-RWEWTDSWSA-N 427.013 6.491 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(Cl)cccc2Cl)ccc1C 408579187 DIUREQVAKBVXSB-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408698341 MOKFTFPQZFHCGM-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCOc1ccc(-n2c(-c3ccccc3)cc(/C=C3\NC(=O)NC3=O)c2-c2ccccc2)cc1 408740582 CHDSKKPZMCZFAW-ULJHMMPZSA-N 449.510 5.390 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 408768489 GIWNJEGSUUVQRK-GSERBOKHSA-N 445.371 6.415 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=C(c3ccc(C)cc3)N2[C@@H]1c1ccccc1OCC 408985781 AWTCQXWBUVOIJG-HSZRJFAPSA-N 434.561 5.689 0 40 IKAB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@H](c2ccc(Cl)cc2)S3)cc1 409196903 RYIUZHHRLUFWMJ-QHCPKHFHSA-N 446.963 5.918 0 40 IKAB O=C(O)c1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1[C@H]3CC[C@@H](C3)[C@H]21 409337022 SJOHSWVVQUXVAQ-VKPCRMNZSA-N 442.309 5.173 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c1C 409355869 FABUCKBFJSJWJR-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB COc1cccc(F)c1-c1ccc2c(c1)CN(C(C)C)CCCCCCCN2C(C)=O 643577121 GFFPPLDBWCMFBS-UHFFFAOYSA-N 426.576 6.029 0 40 IKAB CCOc1ccccc1CN1CCCCCOc2ccc(C)cc2Cc2cccc(c2)C1 643580265 SXQRUIZHIWNXBP-UHFFFAOYSA-N 429.604 6.549 0 40 IKAB O=C(Nc1cccc(-c2nc(O)n[nH]2)c1)c1cc(F)ccc1-c1cccc(C(F)(F)F)c1 1635084439 MXIKPBXNAXCDGH-UHFFFAOYSA-N 442.372 5.255 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)c(F)c1 646577 MTHUTEYYKBPBQC-NSHDSACASA-N 439.409 5.560 0 40 IKAB O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 674974 BUTQXSFMIXYRCH-MWLCHTKSSA-N 446.216 5.091 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1Cl 1268635 JRZSTZZQFBLFLR-UHFFFAOYSA-N 441.318 5.226 0 40 IKAB Cc1ccccc1C(=O)N1CCc2cc(-c3csc(NC(=O)C4CCCC4)n3)ccc21 1354689 SCYFCXCXEFATMZ-UHFFFAOYSA-N 431.561 5.450 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(Cl)c(C)c1 1777668 DOPVLJPPEDOXDD-UHFFFAOYSA-N 429.925 5.571 0 40 IKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(Br)cc3)c2c1 1892513 GFPMPICMGHJLBT-XTCLZLMSSA-N 434.333 6.666 0 40 IKAB O=C(N[C@@H](Sc1nc2ccccc2o1)C(Cl)(Cl)Cl)c1ccc(Cl)cc1 2066806 YRPUJGLUAUJBOU-AWEZNQCLSA-N 436.147 5.700 0 40 IKAB COc1cc(C(=O)Nc2ccc(N3CCCC3)cc2)ccc1OCc1ccc(Cl)cc1 2224634 RZRSKPSMXNUIHE-UHFFFAOYSA-N 436.939 5.780 0 40 IKAB COc1cccc(NC2=C[C@H](c3cccc4ccccc34)N(c3cccc(OC)c3)C2=O)c1 2329369 AUCZQOXETGZIKM-HHHXNRCGSA-N 436.511 5.941 0 40 IKAB Cc1cccc(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2368742 QUPZWOSOINDULI-UHFFFAOYSA-N 434.923 5.121 0 40 IKAB CCCSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1C[C@]3(C)CC 2398032 KLUGBCSZYOFXLH-SANMLTNESA-N 444.604 5.332 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 2414414 XDTGQDSTNXNMGA-XMMPIXPASA-N 446.591 5.368 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1ccccc1F 2427974 MLLJCSMRUWQZDX-VWLOTQADSA-N 445.515 7.828 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)C1(c2ccccc2F)CCCC1 2641972 ZFQRNKKIFUEDHY-UHFFFAOYSA-N 447.988 6.073 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(F)ccc4n(Cc4ccc(OC)cc4)cc2-3)cc1 2689462 JYGIWMHIHZZBEB-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB Cc1ccccc1Cn1cc(S(=O)(=O)CC(=O)Nc2cccc(C)c2C)c2ccccc21 2722262 DHDGTDBOZGJMBZ-UHFFFAOYSA-N 446.572 5.027 0 40 IKAB COc1cc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)ccc1OC(F)F 2739568 RMMPWQGHODXOAW-UHFFFAOYSA-N 435.879 6.354 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2c(Cl)cccc2Cl)c1=O 3041654 JMVZFHPXJDWULA-UHFFFAOYSA-N 443.664 5.387 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3C)nc2c1 3206508 KVOBHTYXVMXLFC-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(C)cc3Br)sc2c1 3251199 IWLRWFDZQCDRGP-UHFFFAOYSA-N 437.384 5.497 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccc(Cl)cc1Cl 3265644 LIFGSSPQGFTHPD-UHFFFAOYSA-N 443.330 5.606 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)c1 3288960 LGMGZAFHJGILIM-JOCHJYFZSA-N 445.613 6.269 0 40 IKAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cccc(Cl)c1Cl 3311363 ZWTBMVZKTSLVRE-UHFFFAOYSA-N 428.486 5.144 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1N1CCCCCC1 3642042 CJNZFAXXCCFCGD-UHFFFAOYSA-N 434.920 5.347 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864302 NRCBFCANQQRXIB-ZWKOTPCHSA-N 443.565 5.347 0 40 IKAB Cc1ccn2c(NC(=O)c3cc(Br)ccc3Cl)c(-c3ccccc3)nc2c1 4791153 ITOHGIMKISIUDW-UHFFFAOYSA-N 440.728 5.978 0 40 IKAB CCCCCOc1ccc(C(=O)CCCCC(=O)c2ccc(OCCCCC)cc2)cc1 6472222 MHCBRILOHYOAEO-UHFFFAOYSA-N 438.608 7.451 0 40 IKAB O=C(c1cccc(COc2ccc3ccccc3c2)c1)N1CCC(Cc2ccccc2)CC1 8444195 AXOASOZJZZVXTF-UHFFFAOYSA-N 435.567 6.514 0 40 IKAB COc1ccc2o/c(=N\c3ccc(C(F)(F)F)cc3)c(-c3nc4ccccc4[nH]3)cc2c1 8450274 JGVWSOOWWVQJCP-NFFVHWSESA-N 435.405 6.236 0 40 IKAB O=C1CCCC[C@H]1Sc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 8825139 UIKFDZSADIUIHQ-OAQYLSRUSA-N 435.936 6.209 0 40 IKAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 8830475 NFCWSCJCICLRQJ-GOSISDBHSA-N 437.521 5.498 0 40 IKAB aggregator O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)nc2ccsc12 9058057 GHZNCDNOSNOINB-UHFFFAOYSA-N 441.557 5.180 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9310904 PGRMMXIICDRNCJ-BDYUSTAISA-N 428.532 6.116 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4OC)sc3n2)cc1 9358863 IURYWLYCLGACKI-UHFFFAOYSA-N 439.924 5.468 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1c(Cl)cccc1Cl 9390547 DECDXIGWBPPDSI-UHFFFAOYSA-N 432.687 5.796 0 40 IKAB Cn1c(SCC(=O)N[C@H]2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 9493238 UCZZVORUFAWSBY-NRFANRHFSA-N 434.609 5.066 0 40 IKAB COc1ccc(CC(=O)N(c2cccc(Cl)c2)c2nc3ccccc3s2)cc1OC 9508855 KVMVKEDSLGLZGC-UHFFFAOYSA-N 438.936 5.874 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc2ccccc2c1Cl 9587097 MAPDWZUSLZWHEC-UHFFFAOYSA-N 448.997 5.290 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9646580 BBOVYZACHAUERZ-FQEVSTJZSA-N 432.574 5.108 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 9669752 AQHFHIRZDHMJTR-QFIPXVFZSA-N 446.576 5.288 0 40 IKAB Brc1ccccc1-c1nnc(SC[C@H]2CCCO2)n1Cc1ccccc1 9729253 AAJLTRYHKUXRHF-MRXNPFEDSA-N 430.371 5.027 0 40 IKAB CCOc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(Cl)c1O 9766292 PJIYDHRWGZLUPX-OAGJVSPASA-N 428.941 5.431 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1NC(=O)c1cc2ccccc2o1 9851039 SHQSFLKKOOCPHU-UHFFFAOYSA-N 446.506 6.913 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 9851390 DPNRDZUOWHRDKI-DEOSSOPVSA-N 438.499 5.034 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Br)cc(-c3ccco3)nc21 10507106 OXBCKTWCGCCPDA-UHFFFAOYSA-N 425.286 5.287 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)O)CCN(Cc3cccc(F)c3)CC2)c(C)c1 12234809 XMAZFPLZIOLFQJ-UHFFFAOYSA-N 431.551 6.019 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 12311483 OGWPBRLXWMQHMA-UNEWFSDZSA-N 433.397 5.633 0 40 IKAB O=C(CCc1ccccc1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12376268 ZEHFAEBEPZPIGI-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB COc1ccc(-c2nc(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cs2)cc1 12506390 QDGNWVYKQUMVEY-UHFFFAOYSA-N 446.557 5.376 0 40 IKAB Cc1cccn2cc(COc3cccc(C(=O)N[C@H]4CCSc5ccccc54)c3)nc12 12539239 DNWOGCGZHPITSW-QFIPXVFZSA-N 429.545 5.189 0 40 IKAB COc1cc(C)c(CSCc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)cc1OC 12576184 ZQBPRUNYVSKMTF-UHFFFAOYSA-N 438.574 5.411 0 40 IKAB Cc1cccc(N=[P@@](c2c(C)nn(-c3ccccc3)c2C)(N(C)C)C(C)(C)C)c1Cl 12579219 JYBQKLOMAYSFML-PMERELPUSA-N 442.975 6.884 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 12658994 IFGFVDGQICFPTJ-XLVZBRSZSA-N 443.612 7.686 0 40 IKAB biogenic COc1ccc(C)cc1-c1csc(NC(=O)C2C[C@@H]3CC[C@H](C2)C32SCCS2)n1 12783616 YSDQPIBTOAAHFX-MQVJKMGUSA-N 446.663 5.678 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1C 12803496 RLPSETYJYPKQHQ-UHFFFAOYSA-N 426.585 6.896 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1oc2c(Cl)cccc2c1C 12999473 UFKOCYGWTKQJGR-UHFFFAOYSA-N 438.833 5.514 0 40 IKAB CCc1cc(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)ccc1Cl 13070216 PAAQHULQCWAXHX-UHFFFAOYSA-N 429.973 5.020 0 40 IKAB CCOc1ccc(C(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 13134221 GOPNKBURRHDCAP-UHFFFAOYSA-N 443.572 5.925 0 40 IKAB C[C@@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(Cl)cc1 13148933 QZHLFIUEMJNFIX-LLVKDONJSA-N 439.990 5.425 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1Cl 13509698 ZHOGUXYTQJZTLG-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 13842459 MAZBTQPFQGYWOR-UHFFFAOYSA-N 446.576 5.402 0 40 IKAB Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16401405 DCAVFTRASSSTFA-UHFFFAOYSA-N 432.308 5.639 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)N1CCN(c2ccc(F)cc2)CC1 17094473 IFSDCXHLQZLLAX-UHFFFAOYSA-N 425.507 5.312 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2s1 19647794 DPQDOFISBSVIEW-UHFFFAOYSA-N 448.573 5.315 0 40 IKAB O=C1C[C@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)c(Cl)c1)nn2-c1ccccc1 19817299 KGCPSBGVJVSHPF-CQSZACIVSA-N 438.314 6.428 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccs2)N2CCN(C)CC2)c1C 19880300 NTZSYEBPJSABIX-OAQYLSRUSA-N 425.623 5.016 0 40 IKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 20611406 LKUWILPZORMIKI-UHFFFAOYSA-N 437.883 5.591 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)o1 23601873 LPTKQHAFXDLNMG-LBPRGKRZSA-N 436.518 5.456 0 40 IKAB CCOc1cc(-c2nnc(S[C@@H](C)c3nc(C(C)C)no3)o2)cc(OCC)c1OCC 24830874 APSBPJGQQHGPDH-ZDUSSCGKSA-N 448.545 5.292 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2oc3ccc(Cl)cc3c2C)N2CCCCCC2)cc1 27664220 ZJYJHEPIQHFFOD-JOCHJYFZSA-N 440.971 5.750 0 40 IKAB COC(=O)c1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1 27912818 VZOODCUQOYVCOB-UHFFFAOYSA-N 438.549 5.367 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2)CC1 29504998 TZDYNSFYAVFUEU-UHFFFAOYSA-N 427.479 5.110 0 40 IKAB CC(C)c1c(C(=O)NCCc2cccc(Cl)c2)cnn1-c1ccc(C(F)(F)F)cn1 31815012 JWVOETDLECEOJQ-UHFFFAOYSA-N 436.865 5.035 0 40 IKAB Oc1c(Br)c(Br)c(Cl)c(Br)c1Br 32150869 HHPGOBVKUZQECQ-UHFFFAOYSA-N 444.142 5.096 0 40 IKAB COc1cccc(NC(=O)c2cc(Br)c(OC)c(OCc3ccccc3)c2)c1 33535847 VBFBLHSMYPSCJB-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H]2c1ccc(Cl)cc1 35092854 UCLWIBNAFORYLW-ZNPMGDIFSA-N 440.971 5.670 0 40 IKAB COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 35400435 CKQMHRAPBUCNOM-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB CCc1cccc(CC)c1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 38856230 ULXPJVDAQZLWIW-UHFFFAOYSA-N 429.402 5.425 0 40 IKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1C 40385090 WRQWQJPWTBEHRG-UHFFFAOYSA-N 433.943 5.746 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](OC)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 40934587 LJJLFLNKMQSUFO-MPQWDPDWSA-N 444.744 7.650 0 40 IKAB biogenic,in-man O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 44875015 RNKYSOVSCWOFKY-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB CCSc1ccccc1C(=O)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1 49435120 ASUXOCTTZYNOFJ-UHFFFAOYSA-N 434.533 5.370 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)cc1C 57428497 URYXLUDXPPHQGW-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCc1c(C(=O)Nc2cccc(NC(=O)N3CCCCCC3)c2)cnn1-c1ccc(F)cc1 58155174 MEMUJAZTNDSXOB-UHFFFAOYSA-N 449.530 5.234 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1c1ccc(Cl)cc1 59418203 GMCSROSPVWTPPZ-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294644 QJLXDGVWWMKDCW-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(F)(F)F)cc2)n1 67297970 DQDZHXXWWKBUDM-SLMZUGIISA-N 439.393 5.345 0 40 IKAB Cc1nc([C@@H]2CCCN2Cc2cn(C(C)C)c3cc(F)ccc23)ncc1C(=O)N1CCCC1 72345435 DZOMUALWVSLHIB-QHCPKHFHSA-N 449.574 5.033 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 72353970 XEUHZRODVPCQNU-HXUWFJFHSA-N 440.012 5.727 0 40 IKAB Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@@H](c3nccs3)C3CC3)c2c1C 78903345 UVHBJHWATQVZOX-LJQANCHMSA-N 427.643 5.560 0 40 IKAB CCOc1ccc2cc([C@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)c(Cl)nc2c1 79047183 CWFAMURIWMCQIM-OAQYLSRUSA-N 425.891 5.514 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 96117407 WYKUGNAGJSYPGW-BBRMVZONSA-N 441.475 5.091 0 40 IKAB CC(=O)Nc1ccc(/C=C2/C[C@H](C(C)(C)C)Cc3c2nc2ccccc2c3C(=O)O)cc1 96767498 ZVEPAWZOZGHONH-LJLZWOEMSA-N 428.532 6.041 0 40 IKAB O=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 100574896 QVDGXRZENJEJRK-MKXGPGLRSA-N 449.186 5.583 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 100961974 SBXXZWYDZDXGMP-GSDHBNRESA-N 434.495 5.199 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(F)c2)o1 102910913 MIHQNVGYNIPBET-RXVVDRJESA-N 427.273 5.732 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@H]1C[C@H]2CC[C@H]1C2 103159533 ZEEBCJUOMAGHTR-KCITZHQASA-N 427.504 5.704 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C2[C@@H]1c1ccc(F)cc1 104006114 MHXRPKVZGJIWMS-GKVSMKOHSA-N 432.520 6.457 0 40 IKAB CC(=O)O[C@H]1CC[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)[C@H]1O 123242564 PJMRSXHCPMQGJA-JOLYSRJRSA-N 446.716 7.010 0 40 IKAB N=C1S/C(=C\c2ccc(-c3ccc(Cl)c(C(=O)O)c3)o2)C(=O)[C@H]1c1nccs1 137133579 JJVBZXDIBGVIOW-PDLCMLHASA-N 430.894 5.173 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 222792021 SATFKQFILGHGRQ-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222848452 VZSMOBOIKBPBAF-VQTJNVASSA-N 432.376 6.029 0 40 IKAB CC(C)(Cc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 223008672 FMBMJCFPLYDDIB-UHFFFAOYSA-N 440.631 5.892 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 223019197 FFWDHJOQXRQMJX-NRFANRHFSA-N 430.331 6.890 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 223087192 RZPBFPLYXCYLEP-RPWUZVMVSA-N 431.609 5.189 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223130400 YGVROSCGLDBGJL-WOJBJXKFSA-N 426.576 5.214 0 40 IKAB CC(C)CSc1nnc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)s1 223182261 XYFYGVHPYBINCA-UHFFFAOYSA-N 433.986 5.771 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223282644 QVYSFIRXRMLPGA-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223365753 RBZDAXCSBRUUJK-VWLOTQADSA-N 448.994 5.049 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 223376202 CPOUEFDIZMEHGT-DNQXCXABSA-N 444.991 5.698 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)c2)cc1 223436254 FWRVIPNHEMFKBG-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 223595889 CFBHUWNEGWEKDP-XMMPIXPASA-N 438.612 5.087 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223690986 KHIAPAPRKDUUFJ-VWLOTQADSA-N 438.612 5.221 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 223716500 JEDCMCPBSAFOKV-FQEVSTJZSA-N 448.994 5.415 0 40 IKAB Cc1cc(C(=O)Nc2ccc3c4c(cccc24)CC3)ccc1NS(=O)(=O)c1ccccc1 224090248 YBOPIMDFXWVNEM-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 224194596 SKKUZAJCGSBEIN-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224539554 CHBCCQOZTZQYLX-UHFFFAOYSA-N 439.386 6.096 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1 224541521 PLHOYKIJQZMVCO-VGOFMYFVSA-N 440.952 5.410 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1cccc2ccccc12 224631742 JMUIDJSDSBQRFK-UHFFFAOYSA-N 433.454 6.348 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 225066338 DFWDJEYTXDFCAX-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225492001 BUWQNACTJVZIAX-HRAATJIYSA-N 435.395 5.258 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)cc(N)cc3Br)o2)cc1Cl 227145916 BOBASPDSEVAYJJ-SOFGYWHQSA-N 445.744 6.213 0 40 IKAB c1ccc(C2=NN3[C@H](c4ccc5noc(-c6ccccc6)c5c4)Oc4ccccc4[C@H]3C2)cc1 230013365 JPBCLNCLFGEBPW-UHSQPCAPSA-N 443.506 6.737 0 40 IKAB Cc1ccccc1-c1ccc(CN2C[C@@H](c3ccc(F)c(F)c3)[C@@]3(CCCC(=O)N3)C2)cc1 257239100 HNYQILNPUXDJEL-RBJSKKJNSA-N 446.541 5.579 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC(c4ccc(Cc5cccc(F)c5)cn4)CC3)ccc21 257248287 JCYNAOXSTAHJCZ-UHFFFAOYSA-N 443.566 5.214 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@H]1CCCO1 260917947 KDYQFMFREVJYNW-YHYVQYDKSA-N 439.968 5.147 0 40 IKAB O=C(COc1cccc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)c1)Nc1ccccc1 408555051 FPSRCNHQWNVJPO-QHCPKHFHSA-N 438.936 5.136 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1Cl 408598239 YIRQOVDRWLYVFC-UHFFFAOYSA-N 438.332 5.985 0 40 IKAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3ccc(C(C)C)cc3)C(=O)O)o2)c1 408632417 IREZNOYLWSATLH-OCKHKDLRSA-N 426.494 5.095 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)O)o1 408634299 UBQCBOXXFWMOEK-ZDLGFXPLSA-N 441.896 5.406 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2cccc(C)c2)cc1 408697558 HTTFLFQJWGCGPK-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(Cl)cc2)c(C)c1 408699564 XVVIQKYZZMBMSL-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2c(F)cccc2Cl)C1=O 408812341 SHTJXXGGZNGKKB-GMGZCJBDSA-N 429.968 6.533 0 40 IKAB S=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408976228 DYYOYJJJLUIIFM-UHFFFAOYSA-N 444.560 6.327 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409052598 HEXQRIJOTZFJPS-WQRHYEAKSA-N 446.311 6.503 0 40 IKAB Cc1cccc(C2(C(=O)O)CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)c1 521396594 JNALPOLBFCQGGE-UHFFFAOYSA-N 441.527 5.362 0 40 IKAB COc1ccc(-c2oc3cc(O)c4c(=O)cc(-c5ccccc5)oc4c3c2CC(=O)O)cc1 524730533 MLLZGUNBEYFVQT-UHFFFAOYSA-N 442.423 5.215 0 40 IKAB biogenic COc1ccc(CNCCC2(c3ccc(F)cc3)C[C@@H](C(C)C)O[C@H](C(C)C)C2)cc1 524733757 NIMPBDJZPIXJPN-UIOOFZCWSA-N 427.604 6.112 0 40 IKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1ccccc1Cl)CCOCCO2 643572644 KZCGSEYCFRTWFL-UHFFFAOYSA-N 449.978 5.220 0 40 IKAB COc1ccc2c(c1)c(CC(=O)Nc1ccc(C)cc1)c(C)n2C(=O)c1ccc(Cl)cc1 643347 DFIQQHPBVDNEIJ-UHFFFAOYSA-N 446.934 5.790 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cc(C)ccc2C)c1C 868924 QKHCNDAKNYLEHZ-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)cc2c1 879972 IWNSNSSONZUVDN-SFHVURJKSA-N 449.620 5.307 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccccc3OC)C3CCCC3)cc2c1 924178 UKCYROGJBURKLO-UHFFFAOYSA-N 435.593 5.241 0 40 IKAB O=C(c1ccccc1)N1C[C@H](COc2ccccc2)O[C@@H](c2ccc(Cl)cc2Cl)O1 1027019 CFOHICJDVBLLHQ-AUSIDOKSSA-N 444.314 5.544 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)c1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 2058211 HIRUBROGKCRHPY-UHFFFAOYSA-N 428.576 5.788 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3cccc(Cl)c3)c3c(C)oc(C)c3c(=O)c2)cc1 2098899 RZOUREKDXICEDP-UHFFFAOYSA-N 434.875 5.958 0 40 IKAB biogenic COC(=O)c1ccc(Oc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2183222 RPJHQGPPSAJHHE-UHFFFAOYSA-N 425.271 6.183 0 40 IKAB CCCSc1nnc2n1-c1nnc(SCCC)n1-c1sc3c(c1-2)CC[C@H](C)C3 2296564 OUCVDKCWTDHBEK-NSHDSACASA-N 432.644 5.019 0 40 IKAB COc1cccc(NC2=C[C@@H](c3cccc4ccccc34)N(c3cccc(OC)c3)C2=O)c1 2329366 AUCZQOXETGZIKM-MHZLTWQESA-N 436.511 5.941 0 40 IKAB CCCC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 2411661 LXRQXXUUZGBTCG-UHFFFAOYSA-N 430.523 6.542 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 2437289 RLSBNQCPZWWUQQ-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CCO[P@](=O)(NC1CC1)SCc1nc(-c2ccc(C3SCCS3)cc2)no1 2581910 UEOFCSFVFAIAJO-XMMPIXPASA-N 443.556 5.345 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NC3CCCCC3)s2)c(C)n1Cc1ccco1 2617366 AAQGZAJQKBIIIQ-UHFFFAOYSA-N 430.599 5.317 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(C)c2-c2ccc(C)c(C)c2)cc1 2733345 PGWMDEHCKPEIJD-UHFFFAOYSA-N 438.571 6.594 0 40 IKAB O=C(NCc1ccccc1)c1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1 3346868 GDXXJXJGIVLLKN-UHFFFAOYSA-N 443.544 5.740 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccc(Br)cc1 3655379 QPAYPYDRPRTLIR-UHFFFAOYSA-N 438.252 5.818 0 40 IKAB O=c1oc2ccccc2cc1-c1cn(-c2ccc(Cl)cc2)c(SCc2ccccc2)n1 6143348 LVQKWKLKFSOIPF-UHFFFAOYSA-N 444.943 6.591 0 40 IKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1OC 6591650 GAZAZNIWRNDPRY-QVKFZJNVSA-N 428.598 6.125 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)NCc3ccccc3)c2c1 6844204 YQUHCPUTHNDLCD-UHFFFAOYSA-N 431.536 5.407 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCCCC2)C1 8397739 KJNJBYDCXNGCDM-WJOKGBTCSA-N 434.524 6.685 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(C)c2)CC1=O 8755682 FMLULCNDCWYSDT-IBGZPJMESA-N 445.950 5.576 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)c(C)c1 8810045 MPWNDAGTMZNJHK-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1Cc1ccc(F)cc1 9355418 HOJUOBZONUGVSB-MUUNZHRXSA-N 432.498 6.719 0 40 IKAB Cc1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)c2c1 9430822 OUNHBMZMKFSNBH-UHFFFAOYSA-N 448.544 5.386 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@H]3c3ccc4c(c3)OCCO4)cc2)cc1 9464969 ZUBNXYQNHYIIDE-DEOSSOPVSA-N 444.531 5.056 0 40 IKAB CCCN(C(=O)Nc1ccc(CC)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607166 HEAFOOIMBKFEPT-UHFFFAOYSA-N 447.648 7.869 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)NCc1ccc(C(F)(F)F)cc1 9913420 CSVYJRNSQTUTMQ-UHFFFAOYSA-N 448.272 5.182 0 40 IKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(C(F)(F)F)cc3)c(Cl)c12 10220412 BMUTWBOLZRDSOT-UHFFFAOYSA-N 430.817 5.653 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 10640620 JTKCIOAWXFPDIA-LLVKDONJSA-N 432.521 5.458 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(SC(C)C)c4)n3)oc12 10750897 RJUWEFCJTFANIA-UHFFFAOYSA-N 438.574 6.708 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 11444628 GJZWXHLHXMUUBX-UHFFFAOYSA-N 430.863 5.235 0 40 IKAB COc1ccc2nc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)cn2n1 11693507 GLOBKJZJNBGIEJ-UHFFFAOYSA-N 448.482 5.281 0 40 IKAB Cc1oc2cc3oc(=O)c(CC(=O)NCc4ccccc4)c(C)c3cc2c1-c1ccccc1 11867425 OXVWSKNMMITNFU-UHFFFAOYSA-N 437.495 5.682 0 40 IKAB COc1ccc(-c2nc(CN(C)Cc3ccc(Br)cc3)cs2)cc1OC 12568888 SMIAJLBGBQWWAT-UHFFFAOYSA-N 433.371 5.222 0 40 IKAB CCc1ccc2c(c1)C(c1ccc(-c3ccc(OC)cc3)cc1)=NNC(c1ccncc1)=N2 12707472 ROLMEZMYICCTNG-UHFFFAOYSA-N 432.527 5.754 0 40 IKAB Cc1nn(C)c(C)c1NC(=O)/C=C/c1cn(Cc2ccccc2)nc1-c1ccc(Cl)cc1 12774295 JGIVXTUVTYXZRB-SDNWHVSQSA-N 445.954 5.254 0 40 IKAB O=C(c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)N1CCc2ccccc21 12776019 MHBAUBIVOQWQIQ-UHFFFAOYSA-N 425.332 5.113 0 40 IKAB CC(C)Cn1c(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)nc2ccccc21 13026843 VYQQHEQOPYSURU-VWLOTQADSA-N 448.563 6.732 0 40 IKAB CCc1cccc2cc3c(N)c(C(=O)Nc4ccc(N5CCCCC5)cc4)sc3nc12 13564164 TWDBINKHGPHQSY-UHFFFAOYSA-N 430.577 5.837 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1CC 13870844 AXSCZMCKUKIVGR-OAHLLOKOSA-N 444.988 5.385 0 40 IKAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(NC(=O)[C@@H](CC)Oc2ccccc2)cc1 14025121 CXFPJVZGEIOXAC-PSWAGMNNSA-N 432.520 5.279 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 15859974 HJRHFUZWAIIANN-HSZRJFAPSA-N 449.620 5.629 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccccc1Cl 16284372 KDSNGKBVBPOOKC-UHFFFAOYSA-N 442.906 5.553 0 40 IKAB O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 17098180 XKNUGCDRQZPWHO-XDZVQPMWSA-N 432.608 5.167 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 17099265 SKRAELKIZDVXIY-INIZCTEOSA-N 434.923 6.679 0 40 IKAB CC1(C)[C@@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@@H]1O2 18126789 DPCOSXVVGHPESL-BHXDCAKSSA-N 448.688 6.295 0 40 IKAB CC(C)(C)C(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19081095 CGNHIQGIIUEIDF-UHFFFAOYSA-N 433.531 5.173 0 40 IKAB COc1ccccc1[C@H]1C(C(=O)Nc2ccc(Cl)cc2)=C(C)Nc2nc3ccccc3n21 20797504 LANZYIPLNKIIJO-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969927 HCYZCIGZKHUUSX-XMMPIXPASA-N 442.494 5.502 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3nnc(-c4ccccc4Br)o3)n2)cc1 21635781 SKBKOAMYWGFOAQ-UHFFFAOYSA-N 442.342 5.139 0 40 IKAB O=C(COC(c1ccccc1)c1ccccc1)Nc1nnc(SCc2ccccc2)s1 21954199 ZLFGWIWBIUYCDC-UHFFFAOYSA-N 447.585 5.575 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c(Cl)c1 26089869 IYOAWZGWTDPRBH-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc(NC(=O)c2ccccc2Cl)cc1 26805882 SODIVSKPUASZBE-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB CCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993086 KZLBXFSGECKHLS-AREMUKBSSA-N 448.950 5.847 0 40 IKAB Cc1cc(NC(=O)c2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1cc2ccccc2o1 32114692 XLABSTBIXADXOI-UHFFFAOYSA-N 439.298 6.553 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32115474 SQRQCAJKYGJCJS-UHFFFAOYSA-N 442.849 6.466 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1nc2c(Cl)c(Cl)ccc2s1 32126846 ZAMJLXWFTBTHNZ-UHFFFAOYSA-N 432.126 5.383 0 40 IKAB Cc1cc(C)c2cc(C(=O)OCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)[nH]c2c1 36626424 OOKAWWCMSUEQDC-UHFFFAOYSA-N 425.699 5.540 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N[C@H](C)c3ccc(F)cc3)c2)cc1 38755174 DPONEJHGORCLHV-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 41004281 AFFZQAHLBRYCLT-SJKOYZFVSA-N 439.364 5.501 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44852885 GCPYLSBXLKFUIP-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB Cc1ccc(Cn2c(SCc3ccccc3C)nc3c(sc4ncccc43)c2=O)cc1 45924293 NZBHCIIJFOHLRV-UHFFFAOYSA-N 443.597 5.964 0 40 IKAB CCCCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccccc3)c[nH]c2c1=O 57523088 HFAOREZVSMYYIA-UHFFFAOYSA-N 446.576 5.231 0 40 IKAB Cc1c(C(=O)N(C)[C@@H](c2cccc(F)c2)c2ccccn2)cnn1-c1cccc(Cl)c1 58367650 GOOMIOSXTLENNJ-QHCPKHFHSA-N 434.902 5.230 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@@H](c1ccccc1)c1cc(Cl)ccc1O 59483600 LYVGQJAHXBQXED-VWLOTQADSA-N 427.931 6.083 0 40 IKAB CCn1nc(C)c2nc(SCc3ccccc3Cl)n(Cc3ccc(F)cc3)c(=O)c21 64817402 CFCGPHSWOCJKDL-UHFFFAOYSA-N 442.947 5.054 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 72332594 BMTFTLPUQWJZKN-REWPJTCUSA-N 425.315 6.244 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(C5CC5)nn4C)C3)c(-c3ccncc3)c2c1 72396829 JUZQBBXYPIVNGX-FQEVSTJZSA-N 439.563 5.169 0 40 IKAB Cc1cccc(-n2nnnc2SCC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1 73667014 BRUNCUSTAAMJLI-UHFFFAOYSA-N 438.597 5.246 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 106754741 ZNZKWVLSIDZDHQ-WQRHYEAKSA-N 447.965 5.479 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 222633946 ANNNYZVPTVEBJP-KNMUDHKVSA-N 439.924 5.283 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222711281 UNGNOCRIUQUTCU-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccccc1)c1ccccc1 223417683 JPSKZRYEXHBKRB-XMMPIXPASA-N 434.967 5.382 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223563994 CHGQRJUMJSXYJH-QFIPXVFZSA-N 447.044 5.546 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223606556 GXMRLWYISKGFOA-NRFANRHFSA-N 435.395 5.260 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2cc(F)ccc2OC)c1 223694594 JWZRWNGHMGHYMW-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224411457 LCBAZYMSNYIGGX-XZOQPEGZSA-N 433.483 5.797 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224503035 QZSGRDSHULFAIW-QFIPXVFZSA-N 436.640 5.149 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)ccc1F 224906681 UPMCMSPPDNSFED-DNQXCXABSA-N 446.526 5.636 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c(C)c1 225055957 HOYYXHBZLRGCLE-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225242417 UFTZZJPTZSRART-PMACEKPBSA-N 434.555 5.244 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225585825 XWWILFVVUPAAEF-UHFFFAOYSA-N 446.994 5.227 0 40 IKAB O=C(O)COc1ccc(Cl)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 257207005 BFWMJALEHZQVPZ-UHFFFAOYSA-N 436.870 5.521 0 40 IKAB Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)c3cc4cc(F)ccc4n3C)CC2)n1 257208125 BKWKNWIAPUKSFL-UHFFFAOYSA-N 443.526 5.179 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@H]2CCc2ccccc2)nc1CCCc1ccccc1 257215490 CQIFASPAWDFCJL-QHCPKHFHSA-N 429.564 5.342 0 40 IKAB Cc1ncccc1C(=O)N1CCC2(CC1)CO[C@@H]1c3cc(Cl)ccc3OC(C)(C)[C@H]1C2 257311400 UJGVGGOHTQVSJJ-RBBKRZOGSA-N 440.971 5.215 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)c1ccc(Cl)cc1 257324993 WRAIFOBDEVINOQ-XKWXGUCDSA-N 432.391 6.448 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257330217 XNKIUTYTMHZAQE-UHFFFAOYSA-N 426.516 6.143 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(F)cc1 408560098 BYDKFRVYEVZCNC-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c1 408697589 IGYGQVAFAIBXNQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704048 JCJJWCFEYALUII-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 409085021 NPDHGQKGJUYGBF-QNGOZBTKSA-N 440.996 5.652 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409100435 VZNVCKWSACVCTR-CALCHBBNSA-N 441.000 5.469 0 40 IKAB Fc1cccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)c1 409112052 JVICJVNVKWQTGG-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)cc1Cl 409151858 IHOLQJWCTXFQLG-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccccc3F)n2)cc1 409385635 BQCCHUJYPKYYQQ-UHFFFAOYSA-N 437.418 5.041 0 40 IKAB CCN1CCCCCCN(C(=O)CC(C)(C)C)[C@@H](C(C)C)COc2ccccc2C1=O 643584970 YQNIHTHPUPBQFO-JOCHJYFZSA-N 430.633 5.391 0 40 IKAB COc1ccc(C(=O)CSc2nnc(CNc3ccc(C)cc3)n2-c2ccccc2)cc1 906748 VHBPDBJDBZYSNT-UHFFFAOYSA-N 444.560 5.171 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccccc2)cs1 941485 WNLVQXSHJMGGTM-DHZHZOJOSA-N 429.339 5.623 0 40 IKAB Cc1cc2cc(CN(Cc3cccs3)C(=S)NC3CCCCC3)c(=O)[nH]c2cc1C 1224678 KJJGMGMDEWNVSG-UHFFFAOYSA-N 439.650 5.416 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 1279219 JWOXGBPNHNPCOG-HSZRJFAPSA-N 444.332 5.897 0 40 IKAB Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)NCc2ccccc2)c1 1378239 GBGXUZIZQRMTGG-UHFFFAOYSA-N 439.559 5.099 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(OC(=S)Nc2ccc(Br)cc2)cc1 1434836 IJPMNHNYLVOHMG-UHFFFAOYSA-N 441.350 5.786 0 40 IKAB CC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 1828662 FRRDSVNYKUBDHH-HHHXNRCGSA-N 425.613 6.439 0 40 IKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4OC)c3)nc2c1 1838558 REGHWBMYBCVMJU-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB CCn1c(NC(=O)c2ccccc2Cl)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2325612 YSRVVVOFJQUUKO-UHFFFAOYSA-N 437.326 6.248 0 40 IKAB COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 2442303 HVSPTQDQFMRDIN-UHFFFAOYSA-N 447.922 5.648 0 40 IKAB biogenic CCOc1ccc2nc(SCC(=O)Nc3ccc(N(CC)CC)c(C)c3)sc2c1 2808102 YSOPXGMIYARIKO-UHFFFAOYSA-N 429.611 5.580 0 40 IKAB Cc1ccsc1C=C(C(=O)Nc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 3255651 HEZKJGHZAMYOSX-UHFFFAOYSA-N 431.344 6.024 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cc(C)ccc2Cl)cc1 3556428 IBTLKJHAVHVNLC-UHFFFAOYSA-N 429.925 5.083 0 40 IKAB COc1cc(OC)cc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 6288854 ITOKJHYPXFYXIC-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB CC[C@@H](C(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C)c1ccccc1 8868568 JLKMLHLINKIWIK-QGZVFWFLSA-N 439.671 7.598 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccc(OC(F)F)cc3)n2)c1 8917361 ZDIFDMIEULHVRZ-UHFFFAOYSA-N 435.883 5.584 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 8984473 ZXXATUVQVXOJBR-JNLFVNFDSA-N 429.470 5.797 0 40 IKAB COc1ccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1OC 9090267 BNMNRJHNGJKUEN-QHCPKHFHSA-N 443.528 5.236 0 40 IKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)Nc1ccccc1-c1ccccc1 9245127 WMRZZDDMLCMWSA-UHFFFAOYSA-N 433.511 5.921 0 40 IKAB COc1ccc([C@@H]2Nc3nc4ccccc4n3C(C)=C2C(=O)Nc2ccccc2)cc1OC 9288484 XSWBGWDILKLQHE-DEOSSOPVSA-N 440.503 5.090 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCC2)cc1 9591135 UUJZDDHJLALICQ-UHFFFAOYSA-N 428.945 5.111 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cc(C)cc4Cl)c(=O)c23)cc1 9867364 MGZCBSLWEVWBRN-UHFFFAOYSA-N 437.952 5.342 0 40 IKAB C[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 9885081 VNZDTLCMQKREDB-OAHLLOKOSA-N 435.940 5.102 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2C[C@@H]2CCCO2)c1 9934852 ZSGOSLWRYWDPHZ-SIBVEZHUSA-N 446.547 5.251 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccn3)C(=O)CCSc3ccccc3)sc2c1 10187630 NSNCLOBYSXTSEZ-UHFFFAOYSA-N 449.601 5.806 0 40 IKAB COc1ccc2cc(CNC(=O)N[C@@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 10261591 IMKXPRJKWVINJS-QFIPXVFZSA-N 434.565 5.018 0 40 IKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 10315280 LZTRGGHFGPGAKJ-UHFFFAOYSA-N 436.577 5.356 0 40 IKAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 10546698 IZSGIYOIVIIOCP-NRFANRHFSA-N 434.543 5.586 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 11117196 WGJSLZPKPKQOAN-PMACEKPBSA-N 447.482 5.222 0 40 IKAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccnc4)n3n2)c1)c1cccc2ccccc12 11665563 FKNXGSIOUFVNMS-UHFFFAOYSA-N 442.482 5.259 0 40 IKAB COc1ccccc1C(=O)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 12273857 ARPJBSXEHREZPG-UHFFFAOYSA-N 426.847 5.667 0 40 IKAB CC1(C)Cc2c(c(-c3ccccc3)nc3oc4c(=O)n(Cc5ccccc5)cnc4c23)CO1 12324965 LMYXQHXCSXQPRF-UHFFFAOYSA-N 437.499 5.104 0 40 IKAB Cc1nc(CSc2nnc(Cc3cccc4ccccc34)n2-c2ccccc2)cs1 12463246 WAWRWUWDGGTZPQ-UHFFFAOYSA-N 428.586 6.069 0 40 IKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539673 LDKLPIXRQCJNTJ-JOCHJYFZSA-N 427.523 5.357 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 12584058 OIGGSNQUXZYHLS-JOCHJYFZSA-N 436.599 7.513 0 40 IKAB O=C(/C=C/c1nc2ccccc2o1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 12908119 DEDOHLHHATZEAZ-CFQHJMILSA-N 431.419 5.331 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 13026962 XZRAEFPGGGCGHC-QHCPKHFHSA-N 436.939 5.376 0 40 IKAB FC(F)(F)c1cccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)c1 13068341 IANAIIPVWORVMF-UHFFFAOYSA-N 426.467 6.395 0 40 IKAB CCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)cc1 13096671 NPUHOHKHVMIUSO-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O 13758732 BXSSWESYNWFMBY-VBKZILBWSA-N 444.314 5.132 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(C)ccc3o2)c1 13946103 YKBOJSCDGHGNIM-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(Cc1nc(-c3ccsc3)no1)CC2 14014193 IVZLMKDJORIDPN-OAQYLSRUSA-N 439.562 5.025 0 40 IKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)c1C 15412414 BDAIBQIQJLCCFT-AREMUKBSSA-N 446.978 6.201 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 16039399 BHOCTWYDPRAXIO-RDTXWAMCSA-N 448.589 5.029 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)cc(Cl)c1OCc1cccs1 16605834 XFHAHPWZWIPBIU-VJMWJIOOSA-N 446.056 6.828 0 40 IKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1 16751010 JTDXGCUSUDERQT-GBXCKJPGSA-N 447.531 5.086 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC 16757512 CORMOPHCFGFPIX-NRFANRHFSA-N 447.560 5.530 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1cccc2c(Cl)cccc12 17094605 ZFXRVNPVCNBVRM-UHFFFAOYSA-N 425.724 5.632 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(-c2cccc3ccccc23)cs1 17096348 PUYZABUFCVIHBS-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccccc2Br)c1Cl 17101555 JBRXEGQXUQCVKN-UHFFFAOYSA-N 437.548 6.044 0 40 IKAB COc1ccccc1-c1ccc(CN2CCC(NC(C)=O)(c3ccc(F)cc3)CC2)cc1 19021114 PAESZGBQZJRQNA-UHFFFAOYSA-N 432.539 5.129 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCCN3C[C@@H]3CCOC3)nn12 19344165 ZZEZIEAAAHYMJO-YOEHRIQHSA-N 436.503 5.040 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19933957 QOWQOBPIVMWBNA-AREMUKBSSA-N 442.603 5.395 0 40 IKAB O=C(C[C@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19962055 YTCACZRTMDGIBQ-QFIPXVFZSA-N 448.954 5.497 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2)cc1 20035412 NDPPXKBFISRLEP-PMERELPUSA-N 446.594 6.073 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20048359 DSUANGAIBRFOJJ-HXUWFJFHSA-N 428.941 5.372 0 40 IKAB O[C@@H]1CCCN(C(=S)Sc2c(-c3ccc(Br)cc3)[nH]c3ccccc23)C1 20095025 WZJLQKFLRSLSNT-OAHLLOKOSA-N 447.423 5.431 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)c(Br)c1 20144419 FZHIURKHLALZSB-UHFFFAOYSA-N 447.112 5.088 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SC/C=C/c4ccccc4)ncnc3[C@@H]2C2=C1CCC2 26464468 PWVPWAURTPDLKF-XNSNBUMYSA-N 433.646 6.923 0 40 IKAB CCN(C(=O)COc1ccc(Cl)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993159 COSZDQGRKRMTTO-AREMUKBSSA-N 432.951 6.147 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325675 QKXVDWGCJSSAQB-IBGZPJMESA-N 447.985 7.397 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1ccc(Cl)cc1 35400848 VCIIPQJJEDOXIC-UHFFFAOYSA-N 448.353 6.063 0 40 IKAB O=C(Nc1ccccc1Br)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834905 FMUSLHCOGXGBPI-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB Cc1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)c2nc3n(c2n1)CCCCC3 39553704 YCAVTXRMZZWJGX-UHFFFAOYSA-N 442.548 5.095 0 40 IKAB COCc1cc(NC(=O)c2sc(-c3ccc(Cl)cc3)nc2C)cc2c1OCOC2 40151748 HUEDPEQLDSUNSE-UHFFFAOYSA-N 430.913 5.037 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Nc3ccnc4cc(-c5ccccn5)ccc34)cc2O)cc1 45201670 APRZTYLGFOVRRT-UHFFFAOYSA-N 446.510 6.307 0 40 IKAB O=C(CN[C@@H](c1ccc2c(c1)CCCC2)c1cccs1)Nc1ccccc1OC(F)F 57323002 QYLXPAJZUZTEPQ-QHCPKHFHSA-N 442.531 5.546 0 40 IKAB Fc1ccc(C2(CCCN3CCC[C@]4(C3)Nc3ccccc3-n3cccc34)OCCO2)cc1 57719637 YAGZFKJJNCUVJW-AREMUKBSSA-N 447.554 5.013 0 40 IKAB COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C 72330431 BRZXNEAPIYYDAO-BWKNWUBXSA-N 449.620 5.152 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@H]1Oc2ccccc2[C@@H]2CC(c3cccs3)=NN21 72332623 PXJJKLJKCJJZCP-WNCULLNHSA-N 436.536 6.168 0 40 IKAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 89904816 YEKDDCBUFIMHPK-XMSQKQJNSA-N 430.957 5.467 0 40 IKAB Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=NCCN3)[C@@H]2c2ccc(Cl)cc2)cc1 96300322 LNRBMBRIGLBCPC-VWLOTQADSA-N 427.935 5.083 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)c(OC)c1OC 102723021 UJNMUVXRJCPGME-OPAMFIHVSA-N 446.503 5.617 0 40 IKAB O=C(NCCCN1CCCc2ccccc21)c1cccc(OCc2ccccc2Cl)c1 219847755 SWOPPTVYGZNKCM-UHFFFAOYSA-N 434.967 5.492 0 40 IKAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)n1 220821397 GJKLGBXZZIMFPU-GOSISDBHSA-N 446.576 5.100 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223178328 DLIKGWCLVMYOCR-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223640265 PZPJUZXGNBGLPA-VWLOTQADSA-N 438.612 5.186 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 223743672 XEERLFATIXEYQY-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223915823 BINDJUFZMMWZCK-DQEYMECFSA-N 445.636 5.631 0 40 IKAB CN(Cc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 224080950 WICFWKUTSHDIJF-UHFFFAOYSA-N 448.519 5.052 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224234307 QQBQPYMCKTXWNS-MHZLTWQESA-N 448.651 5.917 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224314953 COECUMIGFONYQW-JWQCQUIFSA-N 425.557 6.136 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224411565 PYOZJWYJWFEZNA-GOTSBHOMSA-N 449.938 6.311 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Oc2ccccc2)cc1 224625253 WAUUVZLCOVLQBN-PKTZIBPZSA-N 429.570 6.113 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 224765958 HNAIDHBKKJUYRA-HSZRJFAPSA-N 444.616 5.029 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)CCc3ccccc3)o2)c1 224904987 KVKLKIGUDBMZJX-LJQANCHMSA-N 426.516 5.768 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225163421 ZNXICJZPLVCOIK-MOPGFXCFSA-N 429.004 5.167 0 40 IKAB CC1CCN(c2cc(Cl)nc(NC(=S)NCc3ccc(-c4ccccc4)o3)n2)CC1 225919783 JXLJFDLLMJJEDW-UHFFFAOYSA-N 441.988 5.113 0 40 IKAB Cc1cc(OC(=O)[C@@H](C)OCC(=O)Oc2ccc(C)c(Cl)c2C)cc(C)c1Cl 248341419 YXCOLLPRENZIRQ-OAHLLOKOSA-N 425.308 5.143 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC4(CC3)CO[C@H](Cc3ccccn3)C4)CCCCC2)cc1 257236660 HDDCQWNIXJLOCL-RUZDIDTESA-N 432.608 5.232 0 40 IKAB Cc1ccc(N2CCC3(CC2)Oc2ccccc2-c2c3nc(C(C)C)n2CC(C)C)nn1 306123572 AQNLRYXSZQOIHQ-UHFFFAOYSA-N 431.584 5.316 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408972660 QIMZIILCORSJIA-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 409358778 GQISOCIOFAUVJZ-UHFFFAOYSA-N 426.611 5.079 0 40 IKAB CC(C)(C)n1c(-c2ccc(Cl)cc2)csc1=Nc1cc(C(F)(F)F)ccc1Cl 575628236 LINHQIADSBONDZ-UHFFFAOYSA-N 445.337 7.530 0 40 IKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccccc2)cc1F 606422239 DHGAJIZEQATJTI-UHFFFAOYSA-N 443.522 5.787 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 1848355834 YJJOEOZUIDBUOM-SANMLTNESA-N 446.934 5.100 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccc(F)cc1)CO2 2037845774 KUHWGMRHIYTGQP-HSZRJFAPSA-N 446.522 5.412 0 40 IKAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 643275 UUVWIUUCXYLHDP-CQSZACIVSA-N 448.997 5.370 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)c3cc(Br)ccc3n2)cc1 648449 SHIWXPNWJSOYLA-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCCC2)cc1 792654 LOTUBRNKNUJHMC-UHFFFAOYSA-N 441.575 5.995 0 40 IKAB Cc1ccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2-c2ccccc2)cc1 878135 WWWACNAXBQEQOI-LJQANCHMSA-N 444.560 5.274 0 40 IKAB COc1cccc(C(=O)c2c(-c3ccccc3)c(C(=O)Nc3ccccc3)c3ccccn23)c1 984156 SDGIQQURUQBUJL-UHFFFAOYSA-N 446.506 6.098 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)c(Br)cc1O 1011872 IOQGARGRFIELQS-UUASQNMZSA-N 440.702 5.058 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(-c4nc(NC(=O)C5CCCC5)sc4C)ccc32)cc1 1354680 KMVKUNLIMDDOGT-UHFFFAOYSA-N 445.588 5.759 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(Br)cc3)C3CCCC3)cc2c1 1359178 PDYMMIGJEUWWKT-UHFFFAOYSA-N 439.353 5.184 0 40 IKAB CC(C)Cc1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1CCCC2 1754355 MDFLPEWZIZSSMV-UHFFFAOYSA-N 447.629 6.292 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCCC2 2081723 YXINNXHYPBQELV-UHFFFAOYSA-N 426.365 6.143 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3c(F)cccc3Cl)cc2o1 2118227 QUXKWBRTQFVUGC-UHFFFAOYSA-N 448.833 5.938 0 40 IKAB biogenic CC[C@H](C(=O)N1c2ccc(OC)cc2-c2c(ssc2=S)C1(C)C)c1ccccc1 2350104 LAOSKSVUWLAUEG-INIZCTEOSA-N 441.643 6.990 0 40 IKAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccc(Cl)c(Cl)c4)nc32)cc1Cl 2409870 KYILXXLIQKSXHJ-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB c1ccc(CSc2nc3c(c(N4CCCC4)n2)C2(CCCCC2)Cc2ccccc2-3)cc1 2412907 BCHPYIBDTMRCDI-UHFFFAOYSA-N 441.644 6.794 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccco3)n2Cc2ccco2)c(Cl)c1 2415311 OQHARYVZPGAQHV-UHFFFAOYSA-N 442.928 5.180 0 40 IKAB Cc1ccc2[nH]cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c2c1 2583101 XLKFSFRZGVTQNQ-VWLOTQADSA-N 440.499 5.011 0 40 IKAB O=C(OCCCOc1ccc(F)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2656127 ZOQWOPHCSPQEQF-UHFFFAOYSA-N 435.882 6.320 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccccc2OC)cc1 2662305 QKGWFKGUEHEJAO-UHFFFAOYSA-N 433.533 5.123 0 40 IKAB CC1(C)CC(=O)c2sc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)nc2C1 2699325 AJBVBTFKXJVQTJ-UHFFFAOYSA-N 433.558 5.827 0 40 IKAB O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)NCCC1=CCCCC1 2949200 YQPUPZZYNRRDJF-UHFFFAOYSA-N 425.583 5.042 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 3224401 FGUHXNTYWILLSA-GOSISDBHSA-N 438.858 5.464 0 40 IKAB O=C(NC1CCCCCC1)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3275034 WAIGTHHUWHCOAI-UHFFFAOYSA-N 441.380 5.247 0 40 IKAB FC(F)(F)c1cccc(CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1 3355785 NYDBITAOYFRBJS-UHFFFAOYSA-N 441.478 6.157 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1ccccc1Cl)Nc1ccccc1 6446858 WPGNLOPKQIDHAX-UHFFFAOYSA-N 447.947 5.623 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCOc1ccccc1Cl)C1CCCCC1 6752564 ZMDOPHIDFFJBOA-UHFFFAOYSA-N 425.960 5.008 0 40 IKAB COc1cccc(CNC23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1Cl 8443458 SUWISCUGVOWNET-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB CCCCOc1ccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1 8744047 DKDBDRQYMMBLFI-HSZRJFAPSA-N 440.631 7.614 0 40 IKAB Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1F 8756929 JQEMHPRMWHSRAK-UHFFFAOYSA-N 430.504 5.171 0 40 IKAB Cc1cccc(CN2C(=O)N(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc32)c1 8757057 AWVAUAVFQOUFFK-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB CCOc1ccc(Br)cc1CNc1ccc(I)cc1 8782264 GCXLBEXFRRZIQF-UHFFFAOYSA-N 432.099 5.065 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 9008126 KAEZAQFUKSATGV-LADGPHEKSA-N 439.342 6.634 0 40 IKAB COc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9019672 VOOVECIRRTYXTP-VWLOTQADSA-N 439.559 5.231 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1nc2ccccc2s1 9187126 SDJLOVFGZPBADX-HXUWFJFHSA-N 428.444 5.292 0 40 IKAB COc1cccc(Oc2c(-c3ccc(OCc4ccccc4Cl)cc3O)n[nH]c2C)c1 9282190 YDGRPBBQNODXMY-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1ccccc1-n1c(/C=C/c2ccc(O)cc2)nc2ccc(Br)cc2c1=O 9307142 QPTPESFPQPSJCR-MDWZMJQESA-N 449.304 5.033 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccs2)S1 9431875 ISXHUJBSSGHPKK-SGGUZFAKSA-N 431.542 5.443 0 40 IKAB Cc1nc(-c2ccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)cc2)cs1 9498077 KMSKKHHFMUIMMP-KPKJPENVSA-N 431.561 5.009 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)[nH]2)c1 9582255 BUYHTAMGRPJZDH-UHFFFAOYSA-N 426.851 5.183 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 9723155 NDNLIIPJUYWGKD-UHFFFAOYSA-N 437.547 5.236 0 40 IKAB COc1cc(CNc2ncc(-c3ccc(Cl)cc3)n2C)ccc1OCc1ccccc1 9805806 XENMYOYDOYKQCX-UHFFFAOYSA-N 433.939 5.940 0 40 IKAB Cc1nc(Cc2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cs1 11104569 KMJMNHRYLFSODW-LJQANCHMSA-N 440.525 5.037 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12139335 LESINVYDMJFLPO-FQEVSTJZSA-N 441.600 5.973 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cc(Cl)cc(Cl)c1 12249517 MBZKBFJRROJXFC-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCC(c2ccccc2)=N1 12424690 CODGSPFUUYSGDP-UHFFFAOYSA-N 430.558 5.087 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)n1 12528355 KSDTUVJCTVKXPU-HNNXBMFYSA-N 439.516 5.174 0 40 IKAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1cccc(Cl)c1 12557987 AELIIVQRFVIIDR-KBPBESRZSA-N 432.952 5.046 0 40 IKAB Cc1ccc([C@@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)C2CCCC2)cc1 12635796 JJWDKONGVOKRAL-QFIPXVFZSA-N 438.618 5.561 0 40 IKAB CCOc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1O 13109866 MBEVVTGXMFUALL-BQYQJAHWSA-N 442.968 5.473 0 40 IKAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)CC1 13112739 QLRGCORIFZDLCF-OAQYLSRUSA-N 448.592 5.294 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628684 OGSPVESSKODPPK-UHFFFAOYSA-N 445.588 5.672 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)[C@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 13775035 XYUDXRXUPNUPII-GBXCKJPGSA-N 444.015 6.471 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccc(F)c(Cl)c2)cc1 13936232 TXUYOOJBAXYZCG-UHFFFAOYSA-N 449.960 5.397 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Oc2ccccc2)cc1 13978052 CWKBPZLDFKBPKF-UHFFFAOYSA-N 432.701 5.912 0 40 IKAB Clc1ccc(-c2noc(CSc3nc4ccccc4n3Cc3ccccc3)n2)cc1 15022968 VXHDWFVFQBLIIC-UHFFFAOYSA-N 432.936 6.080 0 40 IKAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 15881453 YESJJEKVHWHXAO-UHFFFAOYSA-N 428.414 5.301 0 40 IKAB CCCCc1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 15882878 RNVKYWVNEQRSDA-UHFFFAOYSA-N 439.353 5.254 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)c1 19401731 GSXDVKOVIKTBSD-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB O=C(NCCc1ccccc1)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20522206 POBWRSXIBDMDAL-OAQYLSRUSA-N 432.911 5.021 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 20645462 JFXRPMPVIYHOFV-IFXJQAMLSA-N 441.984 5.069 0 40 IKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2cc(C)c(O)c(C)c2)cc1 21085527 DPZWOHKRKHLHNL-UHFFFAOYSA-N 446.591 5.433 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)cc1Cl 21156796 KQUHGOREZZEHPI-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)Nc4ccc(F)c(Cl)c4)cc3c2=O)cc1 22498373 GVWQDDMVOICBLP-UHFFFAOYSA-N 436.874 5.439 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)Nc3cc(-c4ccc(Br)cc4)no3)oc2c1 27992188 JBHXTQSJPCCGIF-UHFFFAOYSA-N 425.282 6.028 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1C(F)(F)F 32826582 AZDQZDGGIXPGHE-UHFFFAOYSA-N 429.229 5.341 0 40 IKAB CC(C)[C@@H]1CC[C@@]2(C)CC[C@@]3(C)[C@@H]4CC=C5[C@@H](CC[C@H](O)C5(C)C)[C@]4(C)CC[C@]3(C)[C@H]12 33831536 UVFOSIJDDUBTBX-NELCUKDYSA-N 426.729 8.025 0 40 IKAB biogenic CCOc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OCC)c2)cc1 34721110 FVPOHNDYWAVDQE-UHFFFAOYSA-N 448.563 5.730 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 35047394 IFWQEPZBUQMECD-POAQFYNOSA-N 435.326 5.154 0 40 IKAB Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 35400559 USORCTXQUGFKDJ-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)c4cccc5ccccc45)cc3)cc(=O)n2o1 35429565 APXPJBGAQCQFDG-UHFFFAOYSA-N 441.512 5.294 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)[C@H]1c1ccccc1 39738335 SSHZMKOIMDTLHW-UAWCVYRYSA-N 446.631 6.541 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 44843042 SRFWWNQJZSBBTG-YKSBVNFPSA-N 430.548 5.591 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1cc(C)cc(C)c1)c1ccccc1 57488192 HKKHUUZVOZWWCJ-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB C[C@@H]1C[C@@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 57740275 MWBRWQVMOTXTMX-RTBURBONSA-N 430.983 6.219 0 40 IKAB Cc1ccc(Cl)cc1Nc1nc(-c2ccncc2)nc2c1CN(C(=O)C(C)(C)C)CC2 57775065 NJFBHUFMPLAEDJ-UHFFFAOYSA-N 435.959 5.175 0 40 IKAB COc1cc(Cl)c(NC(=O)c2cc(-c3ccc(C)cc3)nc3onc(C)c23)cc1OC 58169310 ITYSHUQFHGFTSO-UHFFFAOYSA-N 437.883 5.430 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 59477590 BJYPNPVNXBOCTO-NTCAYCPXSA-N 440.886 7.060 0 40 IKAB COc1cc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc(OC)c1OC(F)F 89556302 XJPMSSNIGGZPSX-UHFFFAOYSA-N 429.467 5.289 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 98072974 MFRIGRKYAFXSCD-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Cl)cc1Cl 106699060 LWCHXRQBSKKJCG-ODLFYWEKSA-N 430.312 6.490 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)c(Cl)c2)cc1 216331485 YEICQXHFAJVDHC-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)c2ccccc2)cc1 216444572 WSENIUQIKZKTBE-JKNWAPSLSA-N 429.560 6.148 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 223176288 JJGTUZGJBVBXGI-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NC1CCCC1 223777688 KCHRJYVRXSYLLK-JOCHJYFZSA-N 448.651 5.701 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(C)c(C)c1 224290893 BUWJLCWQPIQDGG-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1 224330811 MVBJJFJKIUIRJM-JWQCQUIFSA-N 439.588 5.315 0 40 IKAB O=C(NCCOc1ccccc1Cl)c1ccc(OCCSc2ccccc2)cc1 224380315 NIQAEOYRODDMLP-UHFFFAOYSA-N 427.953 5.320 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 224476440 OJGIWCTZTLUVHR-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cccc2ccccc12 224635389 OGVDHVFTYLWZNZ-UHFFFAOYSA-N 441.527 5.756 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224846886 BLCODSSDPNIYLB-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CCc2ncc(-c3ccc(OCC)cc3)o2)cc1 224862612 RJUQRMVRFGYCHO-UHFFFAOYSA-N 436.508 5.269 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(F)cc1 225157858 KIIPLOXMRQWXRQ-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3cc(F)ccc3F)cs2)cc1 225250977 BBPVKFGYCSZHQV-YBFXNURJSA-N 445.516 5.361 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225312146 OWHJEZGCBDIOQJ-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)COc3ccc4c(c3)CCCC4)c2)cc1 225866974 YXKPEVQWHXVKNV-UHFFFAOYSA-N 441.571 6.111 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(Cl)cc2)n1-c1ccccc1 252550527 SPHZXWUAUZTSSS-UHFFFAOYSA-N 443.959 6.327 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257328492 XFWASYPKWRBSSZ-IBGZPJMESA-N 429.973 5.288 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1C(C)C 408678313 FJTDQGOLPPEPCQ-UHFFFAOYSA-N 427.591 5.912 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3)nc2-c2ccccc2)c(C)c1 408694325 JBCMCMMZTSTYEX-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1F 409073387 HIEVQSVBSJKXAM-FYJGNVAPSA-N 436.870 5.151 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 409106568 OBGYAOLOSRESMM-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409167400 JNFNPJYFCOFDFA-NXTWQOBISA-N 446.953 7.028 0 40 IKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)c(Cl)c1 409270547 QTIAKSUHHSILDN-UHFFFAOYSA-N 441.314 6.287 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1C 409383935 PXZJADGFMGUZMR-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB COc1ccccc1Cn1nc(-c2ccc(C)cc2OCC(=O)O)cc1-c1cccc(F)c1 585264798 NQAHNRJRXJXORX-UHFFFAOYSA-N 446.478 5.185 0 40 IKAB CCc1ccc(CCc2nc(N3CCC[C@H]3c3ccc(Cl)cc3)ncc2C(=O)O)cc1 585266118 LNSCKRDQROJYET-QHCPKHFHSA-N 435.955 5.517 0 40 IKAB O=C(CC1CC1)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1Cc1ccccc1 643581938 HSZCMNHAPQNKKO-VWLOTQADSA-N 426.560 5.431 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)c1 828037 NHMYLVXOPVQGQJ-UHFFFAOYSA-N 437.293 5.908 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1NC(=O)c1ccccc1 844001 HFCVOUPNKDVYHT-UHFFFAOYSA-N 430.891 6.413 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2cccc(C)c2C)c1C 872073 FLXLOKNGAUVKGJ-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)C2CC2)cs1)c1ccc2ccccc2c1 1355608 BNDIKCGELOHYHO-UHFFFAOYSA-N 439.540 5.515 0 40 IKAB O=C(NCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)OCc1ccccc1 1392880 CUAILYWQPLINAT-UHFFFAOYSA-N 428.410 5.384 0 40 IKAB CCCCCCc1cc2cc(-c3csc(-c4ccc(OC)cc4)n3)c(=O)oc2cc1O 1650063 TVVUAZIQQXSKBU-UHFFFAOYSA-N 435.545 6.421 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2cccc(Cl)c2)sc2c1CC[C@H](C(C)(C)C)C2 1909409 PDZJYSPRKNTLAF-YHVDPYDOSA-N 446.012 6.381 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccc4ccccc34)sc3c2CCC3)cc1 2068450 KCGJHWSAGALERZ-UHFFFAOYSA-N 426.541 6.203 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccc2ccccc2c1 2752941 CRKGOQCMKCWGCA-UHFFFAOYSA-N 449.503 5.902 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)sc2c1CCCCCC2 2753053 CDUJGJPCYCSCMQ-DTQAZKPQSA-N 425.594 6.143 0 40 IKAB Cc1cc2nc3s/c(=C\c4cn(Cc5ccccc5)c5ccccc45)c(=O)n3c2cc1C 2912515 BUAQWNLWPANXOM-QFEZKATASA-N 435.552 5.077 0 40 IKAB O=C(OCc1nc2ccccc2s1)c1cccnc1Nc1cccc(C(F)(F)F)c1 3254832 PMXVZEZPOKZLMU-UHFFFAOYSA-N 429.423 5.811 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)Nc1ccc(N(C)C)cc1 3268757 AKQALKOJTRMEKZ-UHFFFAOYSA-N 439.515 5.072 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl 4109830 ZKDUGZFNWMRZFB-UHFFFAOYSA-N 441.906 5.394 0 40 IKAB CCc1ccccc1NC(=O)c1c(NC(=O)CNCC(C)C)sc2c1CCCCC2 4554291 MGTXUQRHQGOKAU-UHFFFAOYSA-N 427.614 5.016 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1cccc2ccccc12 6191305 XBWWHUPWEBYHPD-UHFFFAOYSA-N 433.467 5.246 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2)n1-c1ccccc1 6245236 KILYMJWXNXDSPO-SFHVURJKSA-N 444.560 5.371 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)c1 8832083 WRDWQLALLBYKMO-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1cccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)c1 9264885 NOSNMAJIKSSRRQ-SFHVURJKSA-N 446.551 5.498 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1cccnc1 9309745 BOWAQFPAENVRHX-FQEVSTJZSA-N 437.282 5.240 0 40 IKAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc(C2CCCCC2)cc1 9413046 OVAVFUYKHKUIJT-JOCHJYFZSA-N 436.533 5.605 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)c1)c1cccs1 9463028 MXIQATQUZXLMRA-FQEVSTJZSA-N 448.544 5.139 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1ccc(F)cc1 9532818 IKXHKFMBNYKQSH-UHFFFAOYSA-N 448.567 5.216 0 40 IKAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1cccc(-c2nnc3n2CCCCC3)c1 9644670 CPTZCMANOXGMHN-UHFFFAOYSA-N 442.563 5.152 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 9849623 KRXLWFMNQFIAQU-XMMPIXPASA-N 436.964 5.409 0 40 IKAB CN(Cc1ccccc1)C(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9851201 SQDKCGNJCMJJPT-FPOVZHCZSA-N 447.000 5.350 0 40 IKAB C[C@@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1nnc(-c2cccs2)o1 9960170 XWZYWCQFILHQIO-LLVKDONJSA-N 434.395 5.995 0 40 IKAB COc1ccccc1-c1csc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)n1 11666985 GQTAVTKGCWBHBT-UHFFFAOYSA-N 437.524 6.286 0 40 IKAB Cc1cc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2c2c(C)cccc12 11903175 VQQNZUSRUJJHMJ-UHFFFAOYSA-N 430.455 5.249 0 40 IKAB C[C@H](c1nnc(SCc2cc(-c3cccs3)on2)n1-c1ccc(F)cc1)N(C)C 12558378 NAXCFFPVZGSKJI-CYBMUJFWSA-N 429.546 5.038 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc12 12706065 YBSNLPZYGLJYDK-SFHVURJKSA-N 439.943 5.011 0 40 IKAB O=C(CNc1ccccc1N1CCCCC1)N1N=C(c2cccs2)C[C@@H]1c1ccco1 12783136 VHSRWXFVHOLLQW-OAQYLSRUSA-N 434.565 5.121 0 40 IKAB CCCCn1c(S[C@H](C)c2nnc(-c3ccc(C)cc3)o2)nnc1-c1ccc(OC)cc1 12912759 VOBVVYMIZOUQCL-QGZVFWFLSA-N 449.580 5.966 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2cccc(CSc3ccc(Cl)cc3)c2)CC1 13095617 KIBIICABZNYOJC-UHFFFAOYSA-N 437.008 5.903 0 40 IKAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 13119978 LSLSVKPBFHPNAP-ATIYNZHBSA-N 428.532 5.435 0 40 IKAB CC(C)CC(=O)Nc1ccc(C2=NN=C(Nc3ccc(SC(F)F)cc3)SC2)cc1 14360224 YTQPVSYSBNRZSH-UHFFFAOYSA-N 448.564 5.905 0 40 IKAB CCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)c(OC)c2)C1=O 16681435 JZFPWTTWLROXSR-WQRHYEAKSA-N 448.338 5.093 0 40 IKAB CCOc1ccc(-c2csc(-c3nnn(-c4ccc(F)cc4C)c3C)n2)cc1Cl 16840406 VKJLSPPKVMNGEX-UHFFFAOYSA-N 428.920 5.866 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C(C)C)n2)cc1OC 17094939 WXGNVFBAQLASNC-UHFFFAOYSA-N 426.538 5.277 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373217 KZLGVXDNXDHCAT-AUSIDOKSSA-N 425.536 5.302 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)cc1 19531213 XVPLFLPLQZEAHM-UHFFFAOYSA-N 447.457 5.106 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3)nc2c1 19646187 OABLOHFFJNLIEX-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@@H]1c1cc(-c3ccc(F)cc3)cc(C)n1)CCCC2 19691246 ODOSGAXLCZRSGI-XMMPIXPASA-N 432.543 5.269 0 40 IKAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1cccc2ccccc12 19927860 WVVTXDBWQURFFI-UHFFFAOYSA-N 439.338 5.118 0 40 IKAB O=C(Nc1ccccc1F)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20714341 OZTOVRQSWUKJQZ-XMMPIXPASA-N 428.507 5.517 0 40 IKAB O=C(COC(=O)c1csc(NCc2ccccc2)n1)Nc1ccccc1-c1ccccc1 21375491 RBBRXLRGGDDBSX-UHFFFAOYSA-N 443.528 5.218 0 40 IKAB CCc1nc2sc([C@@H](c3cccs3)N3CCC(Cc4ccccc4)CC3)c(O)n2n1 22853858 FBFVPUKEYJJYTJ-HXUWFJFHSA-N 438.622 5.164 0 40 IKAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 23200035 SOCDUYPKLNLJCI-OAQYLSRUSA-N 430.291 5.006 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)Cc2nc3c(oc4ccccc43)c(=O)[nH]2)s1 29188224 WJEXZJOYFSNTEG-UHFFFAOYSA-N 429.545 5.284 0 40 IKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Cc1cc(Cl)cc2c1OCOC2 29757969 ADPNMECFOWLCAW-UHFFFAOYSA-N 439.939 5.350 0 40 IKAB COc1cc(/C=C/C(=O)N(C2CC2)[C@H](C)c2cccc3ccccc23)cc(OC)c1OC 32832527 VZFBWSHSDTXTHM-NKAIQICCSA-N 431.532 5.631 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 33713396 ZYPKRQJSUGCUJP-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(C)c3)ccc2Cl)c1 33879536 DKVLWJMKLHGTJE-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(Cl)cc1Cl 35362152 XKGIFWJXMVCQPU-UHFFFAOYSA-N 436.286 5.412 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 37613819 DHPABJAAWYDUQJ-ANNHOSHMSA-N 427.931 5.973 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](c3ccccc3)c3ccccc3C)cc2)cc1 38755750 CBSZENWEBLUCPB-MUUNZHRXSA-N 437.608 7.115 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3nc(C)cs3)n2-c2ccccc2C)cc1 44086803 YDODCQBCGMIXQK-UHFFFAOYSA-N 434.590 5.652 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 48302281 FHAJBVVUBFBHHZ-KRWDZBQOSA-N 446.359 5.360 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1 57487685 HTYHRHDTFSRSTE-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB C[C@@H](c1ccccc1Cl)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 72307680 UWEPVEKVGOFHDM-NSHDSACASA-N 443.256 5.151 0 40 IKAB CCC(CC)C(=O)N1CCC(Cc2ccccc2-c2ccccc2C)(C(=O)N(C)C)CC1 72345140 DGWXVIPGYDQRJB-UHFFFAOYSA-N 434.624 5.338 0 40 IKAB O=C(Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1)c1csc(-c2ccco2)n1 84432922 TTYCYOITJHOJAE-UHFFFAOYSA-N 446.315 5.172 0 40 IKAB CCN(C(=O)c1cnc(-c2noc3cc(-c4ccncc4)ccc23)s1)C1CCCCC1 96266566 JZRLNQYTTQAPFH-UHFFFAOYSA-N 432.549 5.808 0 40 IKAB Fc1ccc(C2=C[C@H](c3ccccc3Cl)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100906311 QNYDWYBXEMBFRU-OAQYLSRUSA-N 437.305 6.447 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 109002029 ICMLZKZVPZZXCA-NHCUHLMSSA-N 429.564 5.151 0 40 IKAB Cc1cccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1C 113965800 JUNQNHFKKJDZNI-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695363 LRWLHYXHWGUCEH-IBGZPJMESA-N 443.396 5.300 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 222695655 XDDYWGCLMMVZHF-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223104703 VUEMFZCERAKQPG-LLVKDONJSA-N 431.717 5.095 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 223947915 QYYGVKJHRXBCLZ-FQEVSTJZSA-N 430.614 5.359 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 224200420 SWZXUHJJTLHHEF-UIOOFZCWSA-N 444.648 6.491 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCC1 224396768 TYPMGZOYZOPEGN-RPWUZVMVSA-N 434.584 5.931 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1Cl 224477766 HDELLFMXCBBECB-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c(C)c1 224539082 KGGZNQCONWWSMA-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(OC3CCCC3)cc2)c(Cl)c1Cl 224630880 GETOZQMZLOJRLL-UHFFFAOYSA-N 430.353 5.149 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 224939128 CQAFWIZHDYSWHQ-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB Cc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224950057 NUASFBDLHOGDDP-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225521026 ARRKCADNIQICDL-CVDCTZTESA-N 429.004 5.303 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225548283 AIUATCWRYTVNBO-UHFFFAOYSA-N 426.576 5.777 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225550168 CPTKDIGLEVXHNU-ATIYNZHBSA-N 436.640 5.773 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225695443 PQJBUOQWUYHOHL-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ccncc23)CC1)C1(c2ccccc2)CCOCC1 257238745 HMJDSUJETNCWQX-JOCHJYFZSA-N 428.576 5.154 0 40 IKAB Cc1nc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)cs1 257256068 KJYRQUUMOBQSKF-FXAWDEMLSA-N 447.000 5.276 0 40 IKAB COc1ccc(C(=O)Oc2ccc(-c3ccc(Oc4ccccc4)cc3)nn2)cc1OC 408530942 SRXYXCYYSZDCSB-UHFFFAOYSA-N 428.444 5.172 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1 408555824 GSEHJSGKWJKDPA-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB O=C1CS[C@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 408557222 NVDUVIIZFUABMU-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1cccc2ccccc12 408609261 MROKOWOQONSLSI-UHFFFAOYSA-N 447.918 6.391 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408649668 YWINMKHKOHBYDW-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cc(Cl)ccc2C)n1 408699922 XFYLWZLAGKBVIK-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 408703003 LYMPAFLILLGTRD-UHFFFAOYSA-N 444.940 5.171 0 40 IKAB Cc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704049 JCJJWCFEYALUII-XMMPIXPASA-N 436.964 5.675 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1ccc(F)cc1 408905910 AUUGPVOMHRLRJI-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)[C@H]2C1 409100707 WECOZJZMIRGIBJ-JXALWOEJSA-N 444.497 5.879 0 40 IKAB COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(O)c3c2=O)OC(C)(C)C=C4)cc1OC 1583703 LQYJACCCVUEHFD-UHFFFAOYSA-N 448.515 5.876 0 40 IKAB CCOC(=O)c1cnc2ccc(Br)cc2c1Nc1ccc(OC(C)C)cc1 1778629 LAEFDVPXKAHVPO-UHFFFAOYSA-N 429.314 5.705 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1ccc2ccccc2c1 1835166 YFQGXHQUYCNNBH-UHFFFAOYSA-N 440.930 6.339 0 40 IKAB CCC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(OC)cc1 1866963 IFZXLUFTXQBRSN-MUUNZHRXSA-N 445.603 6.443 0 40 IKAB biogenic Cc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c2ccccc12 2052021 MJDLPFZUZKSONH-UHFFFAOYSA-N 436.555 6.950 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc(Cl)c1OC(C)=O 2054886 MIYQLUOBSXOMEJ-UNOMPAQXSA-N 441.911 5.306 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cc(C)ccc2C)n1-c1ccccc1 2206553 DFSBCVPZKXVESL-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nnc2-c2ccccn2)cc1 2440823 VTHVILKBDOJWHQ-UHFFFAOYSA-N 443.576 5.492 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccccc2Cl)nc2c(oc3ccccc32)c1=O 2713506 MDMDZIRKNKMJSQ-UHFFFAOYSA-N 427.913 5.108 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(F)cc3Cl)n2C2CCCC2)cc1 3305002 LZFTWZOYAKFJIV-UHFFFAOYSA-N 444.019 7.443 0 40 IKAB COc1ccccc1[C@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@H](C(C)C)C1 5033391 BDEBULATKWBYRH-IZZNHLLZSA-N 427.560 5.346 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(Cl)c2)o1 8767963 VQTOZUFFNGWSIU-WIYYLYMNSA-N 443.728 6.246 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)nc12 8832038 HRVCVIZECAYCBI-SOFGYWHQSA-N 443.355 7.132 0 40 IKAB O=C(Nc1ccc2nn(-c3cccc4ccccc34)nc2c1)c1cccc2c(Cl)cccc12 8832160 DBYUBXCBFHXEGR-UHFFFAOYSA-N 448.913 6.633 0 40 IKAB Cc1cc(C)n(-c2cnc3c(-c4ccc(Cl)cc4)cnn3c2-c2ccc(Cl)cc2)n1 8873588 XDXQMYAWDLPZGO-UHFFFAOYSA-N 434.330 6.173 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 8904193 UDNRMMQEQNRLNS-UHFFFAOYSA-N 440.565 5.090 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 9064941 YCSPQJBNKYFZKA-ONNFQVAWSA-N 447.343 5.272 0 40 IKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cc(=O)c2cc(Cl)ccc2o1 9194465 RYMHIVCWQQGRBJ-UHFFFAOYSA-N 443.842 5.676 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 9260632 KCELZOQRERBOBQ-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB Cc1cc(Nc2ccc(Br)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9293521 NEOQTBDYXNWZKN-UHFFFAOYSA-N 427.733 6.173 0 40 IKAB Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 9309397 SWOQAVBQLSCFKY-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccccc1 9724231 BMERZCJYJWFIPH-UHFFFAOYSA-N 432.545 5.508 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 9934692 VQJUNXYLMVNAIF-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@@H](C)C(=O)N1CCCCCC1 9954706 GXNWNHYIWZKFKP-FQEVSTJZSA-N 430.548 5.570 0 40 IKAB COc1cccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc12 10254384 ISJWFLPEGGIZCC-UHFFFAOYSA-N 435.574 5.198 0 40 IKAB O=C1CCSc2ccc(C(=O)NC[C@H](c3ccccc3)c3c[nH]c4ccccc34)cc2N1 10691283 CKHYVRQARVNVJJ-HXUWFJFHSA-N 441.556 5.164 0 40 IKAB CC(C)n1ncc2c(C(=O)N(C)Cc3ccccc3N3CCCCC3)cc(C3CC3)nc21 10899396 MTHUUWHNBQZBBI-UHFFFAOYSA-N 431.584 5.152 0 40 IKAB COc1ccc(C(=O)Nc2c(C(=O)Nc3ccccc3F)oc3ccccc23)cc1OC 11758398 BASMUXJCMCVLBP-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12192671 XIOMSBOFYKNISP-UNMCSNQZSA-N 439.740 6.345 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 12478592 NKDOSSWHAVMTBZ-VWLOTQADSA-N 446.547 5.121 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(OCC(C)C)cc1)=NNC(c1ccc(OC)cc1)=N2 12497602 BNGOUMNKQXJTAD-UHFFFAOYSA-N 443.547 5.563 0 40 IKAB O=C(COC(=O)c1cc2c(s1)CCCCC2)Nc1cc(C(F)(F)F)ccc1Cl 12551603 AUSPYUUHYVQFDP-UHFFFAOYSA-N 431.863 5.485 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Br)cc1 12576497 FLGVKBIHRRUDPR-UHFFFAOYSA-N 435.115 5.382 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccccc3)c(C)s2)nnc1-c1ccccc1C 12629944 TYSXQXAUULUPJP-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB Cc1cc2oc(=O)cc(COC(=O)/C=C/c3ccc(Br)o3)c2cc1C(C)C 12896799 MWHWDPKDDSGXKC-FNORWQNLSA-N 431.282 5.337 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c1C 13059219 VLASYHCANLAGRI-JOCHJYFZSA-N 440.996 5.692 0 40 IKAB O=C(CSc1ccc(-c2ccc(F)cc2)nn1)NC(c1ccccc1)c1ccccc1 13086615 MRIPAAZKPGMMNU-UHFFFAOYSA-N 429.520 5.281 0 40 IKAB COc1ccc(CCn2c(-c3ccc(F)cc3)cs/c2=N\c2cccc(C)c2)cc1OC 13098511 SFFHZMHWYACHLG-SGEDCAFJSA-N 448.563 6.156 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)Nc2ccc(C(N)=O)cc2)c(C(C)(C)CC)c1 13114320 PBXLZJXOEROCMV-UHFFFAOYSA-N 438.612 5.958 0 40 IKAB COc1cccc(/C=C/C(=O)Nc2nc(-c3cc(C)n(Cc4ccccc4)c3C)cs2)c1 13133874 FJXGAIRJOSVPPH-OUKQBFOZSA-N 443.572 5.937 0 40 IKAB CC(=O)c1ccccc1NC(=O)COC(=O)c1oc2ccccc2c1COc1ccccc1 13145381 FTLOBPVGHXVBMQ-UHFFFAOYSA-N 443.455 5.010 0 40 IKAB Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccc(Cl)cc2)c1 13148413 PYCZQTULIAPVOQ-UHFFFAOYSA-N 439.411 7.755 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2c(NC(=O)CN3CCCCC3)sc3c2CCCC3)cc1 13511924 LFWCYGPBUIECIZ-UHFFFAOYSA-N 438.637 5.580 0 40 IKAB COc1ccc(C2=C/C(=C3/N=C(c4ccccc4Cl)OC3=O)c3ccccc3O2)cc1 13576736 DIBPCLXIWAWGJC-NMWGTECJSA-N 429.859 5.497 0 40 IKAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 14270455 RSHAJVYJPUPWHO-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14411689 VYPKREWYSXBSKS-NRFANRHFSA-N 447.343 5.613 0 40 IKAB Cc1cccc(NC(=S)NCc2cccc(CNC(=S)Nc3cccc(C)c3)c2)c1 16237817 ZTPGGPBZYZGSCL-UHFFFAOYSA-N 434.634 5.277 0 40 IKAB O=C(CSc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccc(Cl)cc1Cl 16525667 XRKXVLJHOOIWJD-UHFFFAOYSA-N 448.352 6.198 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)cc4)nc3c2)cc1 17096949 JDGNEQTUUDGTKW-QGZVFWFLSA-N 430.504 6.034 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1ccc(Cl)c(Cl)c1 17102629 PWNOVGYWQNUFCT-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Cn1cc(CCCC(=O)N2CCC[C@@H](c3nnc(-c4cccs4)o3)C2)c2ccccc21 19290434 AYSCVXMMGWEPHE-GOSISDBHSA-N 434.565 5.019 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(OCc2ccccc2)cc1 19647136 PWAKFGICSFPPHM-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C[C@H]2C=CCC2)CC1 19700052 GXJTUXVVKMSGMG-QHCPKHFHSA-N 444.619 5.258 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1)c1cc2c(ccc3ccccc32)o1 20456749 AJVHWTIGMUIDCB-UHFFFAOYSA-N 443.484 5.034 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CSCc2ccc(Cl)c(Cl)c2)CC1 20484338 UAVGOJDKPYJVQE-UHFFFAOYSA-N 443.827 5.537 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1Cl 20610734 GCOSOLCNFMTGCF-UHFFFAOYSA-N 447.709 5.642 0 40 IKAB CCCCN1C(=O)[C@H](C(=O)OCC)[C@@H](c2cccc3ccccc23)n2c1nc1ccccc12 20675445 MMSYQGHRZTWHTN-DNQXCXABSA-N 441.531 5.105 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 20797391 FZCARNRHOCBJTP-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(F)c2)cc1 20970093 RMIYOSNUHQFGTM-DEOSSOPVSA-N 426.495 5.665 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@H]2c2cccnc2)cc1 21367368 VGLBSVJQNNHFNH-JOCHJYFZSA-N 445.320 5.292 0 40 IKAB Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N2CCC(Cc3ccccc3)CC2)c1 22626393 IZOAXOPJZIWMOK-QFIPXVFZSA-N 432.593 5.157 0 40 IKAB Fc1ccc(CN(Cn2nc(-c3cccnc3)n(C3CC3)c2=S)C2CCCCC2)cc1 26636584 YZMRNOCPXRKSBW-UHFFFAOYSA-N 437.588 5.742 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 31852033 GHKBQAVKPZYEJZ-JOCHJYFZSA-N 430.617 5.409 0 40 IKAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3F)o2)cc1OCc1cccnc1 32832255 JGNXDNVCZSWZDA-UHFFFAOYSA-N 447.466 5.035 0 40 IKAB CCCOc1c(I)cc(C(=O)Nc2cccc(C)c2)cc1OCC 35154795 OHZFCBKVAHFUIU-UHFFFAOYSA-N 439.293 5.039 0 40 IKAB Cn1/c(=N/C(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2cc(Cl)ccc21 35225697 BZFYHNXTHOEGNQ-PNHLSOANSA-N 429.932 5.850 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352228 BYDOMPHLXADNNG-GGAORHGYSA-N 425.315 6.244 0 40 IKAB Cc1c(C(=O)NC2(c3ccc(Br)cc3)CCOCC2)oc2c(Cl)cccc12 40155108 OLYAWLNAWAFXJO-UHFFFAOYSA-N 448.744 5.593 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1Cl 44903539 XFXPZFHTLYRFFJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccccc1 44936868 MUKFJJUBBCCMBJ-HSZRJFAPSA-N 433.423 6.109 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc5nsnc5c4)ccc3Cl)nc2c1 57313178 LPLNUJCJAFQSHV-UHFFFAOYSA-N 434.908 5.968 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 58394218 BVVGUVRIFUQALD-UHFFFAOYSA-N 444.105 5.838 0 40 IKAB Cc1cccc(-c2noc(CNc3ccccc3Oc3ncc(Cl)cc3Cl)n2)c1 58406568 XWYQKFAHSQGKBD-UHFFFAOYSA-N 427.291 6.151 0 40 IKAB CC(C)(C)c1ccc(NC(=O)Nc2ccc(CCN3Cc4ccccc4C3=O)cc2)cc1 59484703 OTFYYBJATXJWIR-UHFFFAOYSA-N 427.548 5.827 0 40 IKAB C[C@H](Nc1ccc(NC(=O)[C@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 60100688 NAFGYSUFEFKYJK-HKUYNNGSSA-N 435.959 5.158 0 40 IKAB C[C@H]1C[C@H]2[C@@H]3C[C@@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@@H]4[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 70664510 KEOLCBLQBIWDBI-UCNRGEJTSA-N 446.672 5.155 0 40 IKAB biogenic Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccc4C(F)(F)F)ns3)no2)cc1 96346327 VRZSVYVSRNBNFG-UHFFFAOYSA-N 430.411 5.440 0 40 IKAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2SC/C=C/Cl)cc1Cl 97653174 BUEVZTAAOGDGHZ-IRZDHIGESA-N 425.362 5.640 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4cccc(Br)c4)C3=N)n2)cc1 102729002 JDILDXSWYFUBBS-UHFFFAOYSA-N 442.338 5.348 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3cccs3)CC(O)=C2[C@H]1c1ccc(F)cc1 104006125 MHXRPKVZGJIWMS-SSOJOUAXSA-N 432.520 6.457 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 144630546 BBOICQJJBZIZIJ-QHCPKHFHSA-N 440.927 5.506 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)n2)c1 195558274 UTWOLRMSBBQYLE-UHFFFAOYSA-N 444.491 5.176 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4F)C3=O)o2)cc1 214348379 NRAXLEPMSPKCAK-UDWIEESQSA-N 437.448 5.109 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc(Cl)ccc1OCc1ccccc1 219762977 ZZPHHGFULRIVHS-UHFFFAOYSA-N 443.930 6.750 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1 222540378 BUCODFHSHCJIMR-AMCKHAKVSA-N 444.531 5.086 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)cc1 224096167 SDKBZABEWRQKQP-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)c1 224159522 MRIKBFNPQSLGLG-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224176906 LFOLJNXVAMIKKC-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc2ccccc2c1 224315453 FPKLBIADRHYZSM-UHFFFAOYSA-N 429.541 6.402 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1 224330343 GIJYSOVURPOJHD-JWQCQUIFSA-N 439.588 5.066 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccn(C)c3)cc2)cc1 224722238 ONYHGQXWDPRHTL-LOSJGSFVSA-N 440.572 5.698 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225104551 AMBKKFKRHKLCNC-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 225199647 YREQACRDFOBQCH-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225365017 XGSLCTIBAFGDAM-UHFFFAOYSA-N 434.323 5.033 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC1CCCC1 225557381 ZUOIWXSIGUFFJJ-UHFFFAOYSA-N 446.418 7.464 0 40 IKAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCC2)n1 226008686 AJILFPKHPMKJKY-KRWDZBQOSA-N 425.602 5.267 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 257249554 JIWRIGGUSJMXDK-RUZDIDTESA-N 434.967 5.946 0 40 IKAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@]12CO[C@@H](c1cccc(F)c1)[C@H](C(C)C)C2 257277495 NYESEOKJNBQFLH-CAVYSCNFSA-N 449.570 5.119 0 40 IKAB Fc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccccc3Cl)CC2)cc1 408571503 BIUGWGCUHPQFED-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccccc1Cl 408571867 CZKZCXPKEUJOML-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB S=C(NCc1ccccc1)c1cc(Cl)ccc1OCc1ccc(Cl)c(Cl)c1 408572295 FWJALPYWOOGWOI-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)N(C)C3CCCCC3)c2c1 408682727 LJEHTOCYFGKRNH-UHFFFAOYSA-N 437.381 6.377 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409114736 PYYMQZXCHCVQSI-UHFFFAOYSA-N 425.550 5.390 0 40 IKAB CCCc1sc2nc(SCc3ccccc3F)n(-c3ccc(F)cc3)c(=O)c2c1C 409120080 RLMYMIYJPFXHNN-UHFFFAOYSA-N 442.556 6.279 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1C 409197066 VFACAGZYOMXMPX-SGEDCAFJSA-N 447.003 6.740 0 40 IKAB O=C(c1cc2ccccc2cc1O)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100356 INILVMLDFSZBHZ-HHHXNRCGSA-N 432.539 5.345 0 40 IKAB COc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(Cc3cccc(F)c3)n2)c1 585265526 NLQCVYXTFKMVDG-UHFFFAOYSA-N 443.474 5.764 0 40 IKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3ccc(F)cc3F)ccc21 643570265 VKPOOOFASBBEBJ-UHFFFAOYSA-N 428.567 6.407 0 40 IKAB O=C(Oc1ccc(I)cc1)C1c2ccccc2Oc2ccccc21 706296 SEOXGWUILMQCOT-UHFFFAOYSA-N 428.225 5.134 0 40 IKAB Cc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2c3c(sc2n1)C[C@@H](C)CC3 1326247 SPHKAGRCOYVSNG-NSHDSACASA-N 444.651 5.191 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)cc2c1 1327133 QJSGWUWPDQTKGF-UHFFFAOYSA-N 435.911 5.571 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@@H](C)CCC3 1796041 AMIVHAIFHNGABY-KRWDZBQOSA-N 426.651 6.868 0 40 IKAB COc1ccc(C2N(Cc3ccccc3)c3ccccc3N2Cc2ccccc2)cc1OC 2315910 IZRPJCGWJUYYOJ-UHFFFAOYSA-N 436.555 6.429 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1 2643928 XQWCTCBFIRSRLW-ZXVVBBHZSA-N 439.518 6.699 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3269961 LZOOMGSJIWWXHC-XYOKQWHBSA-N 427.335 5.630 0 40 IKAB CSc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3273841 CPBMIHHBYVYACY-GOSISDBHSA-N 447.343 5.647 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2)cc1 3400002 BYHFCULMAMRUAH-UHFFFAOYSA-N 438.597 5.071 0 40 IKAB Cc1csc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)n1 3411761 RVPGOWBCEJQCIJ-UHFFFAOYSA-N 448.617 5.960 0 40 IKAB Cc1ccc2c(c1)[C@@H]1CC(c3ccc4ccccc4c3)=NN1C1(CCN(C(C)C)CC1)O2 5297285 DYABFFMLJAJVKY-SANMLTNESA-N 425.576 5.892 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 5950103 TZJDGRGMAOTIFW-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB Cc1ccc(NC(=O)CSc2cn(CC(=O)N3CCCCCC3)c3ccccc23)cc1 8583800 QIJUNEMMRMTMMU-UHFFFAOYSA-N 435.593 5.083 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nccn2-c2cccc(C)c2C)cs1 8725202 CZSHCQKDIYUNEK-UHFFFAOYSA-N 448.617 6.231 0 40 IKAB Cn1c(/C=C2/SC(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C2=O)nc2ccccc21 8869988 LJVJTMUKMGQHJH-OQLLNIDSSA-N 437.830 5.486 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCc2ccccc2)CC1=O 8871294 QMDCBQGMNYISRV-QFIPXVFZSA-N 439.559 5.588 0 40 IKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccccc1Oc1ccccc1 9354676 SFXSOJNFSCKQLH-UHFFFAOYSA-N 425.307 6.103 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1ccccc1 9355541 NJRLKOIESPZYBV-MUUNZHRXSA-N 432.498 6.719 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)cc(Br)cc23)cc1 9371770 RVDDEWJJEDAMRU-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 9410373 BGTQDQSOFJSZIH-DZGCQCFKSA-N 428.773 5.181 0 40 IKAB CN(CCc1ccccn1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 9492714 IZWVYQCRQRZUJC-UHFFFAOYSA-N 435.984 5.251 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)c(Cl)c1 9678928 YRWUQWSDBPKFKV-UHFFFAOYSA-N 443.330 5.880 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc21)c1cccc(Br)c1 9708223 UHHSOCYEJHYIOK-LJQANCHMSA-N 427.367 5.044 0 40 IKAB CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9730812 AKDYSUBBXLTFJI-CUHUQNRHSA-N 449.392 6.677 0 40 IKAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 9892497 CJBQIJZKHFCHIQ-UHFFFAOYSA-N 428.410 5.025 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)/C=C/c4ccccc4)cc3)nc2c1 10119782 QRVPFEHNXKBETL-MDWZMJQESA-N 447.332 6.472 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc12 10187686 PDSZMMSNQAMRJI-UHFFFAOYSA-N 431.517 5.058 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 11617221 KCAFLZHESRMYBM-UHFFFAOYSA-N 442.540 6.082 0 40 IKAB S=c1sc2c(N3CCCCC3)nc(-c3ccccc3Cl)nc2n1-c1ccccc1 12377130 ZSOONXYOKDACKT-UHFFFAOYSA-N 439.009 6.522 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2cccc(Cl)c2Cl)N1 12523824 INEITHCGQFWBMU-OAQYLSRUSA-N 435.314 5.792 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12531957 WHEHBBAAZMHYFD-CZILXDHESA-N 448.582 5.687 0 40 IKAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1oc2ccccc2c1COc1ccccc1 12542578 CXORMOAJUGDPSY-UHFFFAOYSA-N 444.527 5.954 0 40 IKAB C[C@H]1CN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)C[C@H](C)O1 12782191 QGDZFORVMHQMKU-KBPBESRZSA-N 428.941 5.056 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1 13017415 IBMYGUQJVCRODS-MQVJKMGUSA-N 440.030 5.133 0 40 IKAB COc1ccccc1[C@H](C)NC(=O)CSc1nc(-c2cccs2)nc2ccccc12 13028727 FXIHKSCSZOZXCN-HNNXBMFYSA-N 435.574 5.336 0 40 IKAB COc1ccc(CN(Cc2cccs2)C(=O)COc2ccccc2Cl)cc1OC 13075426 VXIOEYJTVJVDOK-UHFFFAOYSA-N 431.941 5.027 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 13109413 LOKIQSBYRQELKJ-BCHFMIIMSA-N 442.559 5.887 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(C(=O)OC)o3)nnc2-c2cccc(C)c2)cc1 13115119 HETQMBVQRWOFBR-UHFFFAOYSA-N 449.532 5.313 0 40 IKAB Cc1occc1C(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 13503534 RJXUDPRPLFQADU-DEOSSOPVSA-N 434.511 5.564 0 40 IKAB Cc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)c1 13557064 CYZBWIVJDYAHBG-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 13899847 CKXXAPNHTLEPRB-UHFFFAOYSA-N 443.282 5.561 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(-c2nc3cc(C(=O)c4ccccc4)ccc3[nH]2)cc1 13957503 DAVLWGPPKTZUKZ-UHFFFAOYSA-N 431.495 5.642 0 40 IKAB O=C(c1cc(-c2ccccc2)c(N2CCOCC2)s1)N1CC=C(c2ccccc2)CC1 14068570 LPTLVNWBHJSJRA-UHFFFAOYSA-N 430.573 5.181 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCc3sccc3[C@H]2C)cc1 14180465 WYBSLTHXCYBKRX-QGZVFWFLSA-N 430.573 5.984 0 40 IKAB CCc1ccccc1NC(=S)NC(=O)c1cc2ccccc2c(Br)c1OC 14270020 WXWYDWFRPAXRDS-UHFFFAOYSA-N 443.366 5.300 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(C)c1Cl 14398888 WJOZEHWZKWACPT-INIZCTEOSA-N 430.331 6.809 0 40 IKAB COc1cccc(C(=O)c2oc3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3c2C)c1 15729521 PAIKIKXGTNRERG-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 15961003 ZJBCZFLWELNOKI-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB Cc1ccc(OCc2nnc(SCc3c(F)cccc3F)n2-c2ccc(C)cc2)cc1 16789376 YGPBYDITBOVSBB-UHFFFAOYSA-N 437.515 6.034 0 40 IKAB CC(C)C[C@H](C)OC(=O)CC(CC(=O)O[C@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 16891641 XBNWCMUBZMWBGY-HWPVKAJDSA-N 428.610 5.316 0 40 IKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(OC)cc2)c1-c1ccc(OC)cc1 17095946 GERYOJYIRZSQDN-UHFFFAOYSA-N 428.532 5.854 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)c1 17097849 LRHMYFRHPGNFPA-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB CCn1c(=O)c(Nc2ccc(OC)cc2OC)c(-c2ccccc2)c2cc(Cl)ccc21 17099277 SVBVZVWBAAQBAA-UHFFFAOYSA-N 434.923 6.103 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccc(Cl)c2)N2CCOCC2)c1C 19938411 GNPURGMZPRJTLQ-HXUWFJFHSA-N 430.957 5.285 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140253 WTBIEALESNSIFX-UHFFFAOYSA-N 439.773 5.578 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 20140336 REQBSLCPJOCUJU-UHFFFAOYSA-N 437.879 5.922 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)ccc1-c1ccc(CO)o1 20145406 FXBAAAHYZNXJJO-UKTHLTGXSA-N 433.435 5.499 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)sc2c1 20411424 XDXMKUNVPKJZRI-UHFFFAOYSA-N 444.381 5.201 0 40 IKAB COc1cc(C)c(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)cc1OC 20885977 GQFMWSQDINGGCH-UHFFFAOYSA-N 441.940 5.627 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(C4CC4)n3Cc3ccco3)cs2)cc1 23968739 CYFYFRZHOZHBNR-UHFFFAOYSA-N 428.970 5.866 0 40 IKAB CCSc1ccccc1C(=O)N1CCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 24836067 XYAZBVXHZIGAPR-UHFFFAOYSA-N 441.597 5.019 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc1 24989319 LVDAWLAROUVQHG-HNNXBMFYSA-N 444.409 5.501 0 40 IKAB COc1ccc([C@H](Nc2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770844 KOJDCQKKRXBCFJ-VWLOTQADSA-N 442.584 6.827 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)N1CCCCC1 27918248 VSJFKFGARZSHFF-UHFFFAOYSA-N 437.392 5.491 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)N(Cc3cccc4ccccc34)C[C@@H]3CCCO3)oc2c1 28251459 PEQBBWAEEUXGBV-NRFANRHFSA-N 427.500 5.076 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3sc(C)c(C)c3c2=O)c1 28807576 IBTKEYJGCLVGLJ-UHFFFAOYSA-N 443.638 5.110 0 40 IKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30758327 FHJIPSGQFBPYJF-RUZDIDTESA-N 445.559 6.020 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)C1 30947143 LIABVCPXUXOGED-QOHRDKRTSA-N 442.647 6.639 0 40 IKAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)CC1 32307193 RLVKXBBBKSBTEN-OAQYLSRUSA-N 443.591 5.057 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1ccccc1)N1CCCC1 32983807 NQLUWRSAOAOTAO-IBGZPJMESA-N 427.907 5.009 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 33141798 JLDJTKOXHXXTEG-UHFFFAOYSA-N 428.579 5.257 0 40 IKAB Cc1ccc(N[C@@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 35031328 YAWXGPAFXBXPKZ-OPNNQBFTSA-N 449.850 6.599 0 40 IKAB CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1OC 35198903 KJBRXOPSJNCRNM-ATVHPVEESA-N 428.872 5.034 0 40 IKAB Cn1ccnc1COc1ccc(NC(=O)CSc2cccc3cccc(Cl)c23)cc1 40134892 PIUNAXIRCPIPBC-UHFFFAOYSA-N 437.952 5.537 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44917206 HLPKENAJASKRHE-UHFFFAOYSA-N 447.406 6.166 0 40 IKAB CCOc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2ccccc2)cc1 48989739 LPVYGAFXNNJZSC-UHFFFAOYSA-N 448.544 5.444 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc(C(C)(C)C)cc3)cccc2c1Cl 57313355 NGNXFOWWTSWHPX-UHFFFAOYSA-N 443.012 6.633 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 57314066 TVGYHRSWHPIOIK-BMRADRMJSA-N 448.478 6.597 0 40 IKAB Cc1cc(N2CCN(c3ccc(Cl)cc3)CC2)nc(-c2ccc(C(F)(F)F)cc2)n1 57477786 LQBZCOFZZBIILW-UHFFFAOYSA-N 432.877 5.451 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 58176679 PJLNUOMILGETQC-AREMUKBSSA-N 440.547 5.083 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)N1CCC[C@@H]1C1CCCCC1 71939851 LLAVMVALACYFER-LJQANCHMSA-N 425.495 5.119 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)c(C)c3s2)n1 72228826 WCBVJSLAOFURLB-UHFFFAOYSA-N 440.956 5.387 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359352 KSZNXYGQAXXNJG-QGZVFWFLSA-N 429.417 5.321 0 40 IKAB O=C(O)C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)c1nc2ccccc2s1 89857573 URNUVSGIXCOFJI-SSZFMOIBSA-N 443.553 6.226 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)C1 91302573 CDYLQCIGJAGOQL-IFMALSPDSA-N 436.552 5.574 0 40 IKAB in-vitro Fc1ccccc1[C@H]1C=C(c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 100758052 FRSUURJUJKHYIR-OAQYLSRUSA-N 447.311 5.903 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1cccc(F)c1 101433468 VJHKNBKSARUQMQ-RBTNQOKQSA-N 440.518 6.704 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101531102 SPFMYGMPPCZEPK-OXRJIFCISA-N 432.490 5.098 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 102075360 LXADYUVYYAOLCY-LKTQXZJLSA-N 426.299 5.343 0 40 IKAB Cn1c(=O)c(C2=Nc3ccccc3N[C@@H](c3ccc(Cl)cc3)C2)c(O)c2ccccc21 104827582 GUYJHLJENAPMJB-HXUWFJFHSA-N 429.907 5.575 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)cc1C 107880325 XRFXRXREKKZLGV-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 108894595 HZTZQTVIAHNKBX-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575180 FTKVHVVHEXMUDV-WMZHIEFXSA-N 444.641 5.023 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 222489465 QEAPSNNESNBCSC-QHCPKHFHSA-N 445.003 5.139 0 40 IKAB C[C@@H](C(=O)NCCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222842686 WYVBAAXFNVPNDV-NRFANRHFSA-N 448.994 5.049 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222845727 XDMUUKMZFMTPLQ-WOJBJXKFSA-N 429.998 5.860 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 222975511 XJBVJFVHENSRRF-KRWDZBQOSA-N 445.434 5.962 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223021301 MKAQVMCJKQGQJC-JOCHJYFZSA-N 428.960 5.461 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1 223126852 VDYGMZNHUYUOGO-VWLOTQADSA-N 448.994 5.396 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 223780259 ZOROMJNDKQMGLJ-LJQANCHMSA-N 447.044 5.134 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2)cc1 223984166 BZEKGDVJFOUYNT-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224143584 PCRVTTXVQHMWJP-RUZDIDTESA-N 444.575 5.085 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1C 224154387 QREYFVTZNGUROG-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 224407100 TZYGEECZZOXEIC-QFIPXVFZSA-N 448.941 5.027 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)cc1 224657994 ZHCBVEXPXJGFTB-ZEQRLZLVSA-N 443.597 6.421 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(F)cccc3F)o2)c(OC)c1 224933404 ITOGIIGUPDUEGI-UHFFFAOYSA-N 436.414 5.556 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1 224962553 WBGOLIJQSZUHFZ-UHFFFAOYSA-N 446.890 6.091 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225120279 DTMZHLAZYDCWGH-SANMLTNESA-N 434.624 5.411 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCCC1 225526551 GYRHBJCYWDJYQH-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB C[C@H]1CCCN(c2cc(Cl)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)C1 225972687 BMEDTHSBVFUUKJ-KRWDZBQOSA-N 444.048 5.165 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(Cl)cc3[nH]c2=O)C[C@@H]1c1ccccc1 226782038 OFYANIQOIOBDKE-HSZRJFAPSA-N 441.918 5.546 0 40 IKAB Cc1ccc(OCCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 240796011 AZMPEPNHBJNYAK-UHFFFAOYSA-N 428.576 5.088 0 40 IKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@]5(CN(C)C6(CCN(C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 253500185 YKZPJVAZIXEHHB-FELPTUEHSA-N 442.688 5.087 0 40 IKAB biogenic O=C(Nc1ccc(Cl)cc1)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253564169 GFEAYCMOOINTDC-UEQSERJNSA-N 431.919 5.733 0 40 IKAB COc1cccc(CNc2cc(-c3cnc(C)nc3[C@H]3CCCN(C(C)C)C3)ccn2)c1 257298440 RLPMILJDCVIRAO-QFIPXVFZSA-N 431.584 5.056 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 257322225 WFCJOGZGQRLQQN-SIKLNZKXSA-N 431.983 5.522 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2OC)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562162 NORGFBJURIVYNE-LVWGJNHUSA-N 449.403 6.246 0 40 IKAB S=C(NCc1ccccc1)c1cc(Br)ccc1OCc1ccccc1Cl 408576646 QHBXZRXKOMLSEX-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc4ccccc34)C2)cc1 408643245 QUFGRZGDSIZPPK-OAQYLSRUSA-N 436.511 5.932 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408699805 WJAWUDPXQYIEEJ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 408875500 JIPAWPWFUFLOKL-PXNMLYILSA-N 442.751 6.282 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 409089109 NAMBEVJTIGSEIQ-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB CCCc1sc2nc(SCCOc3ccccc3)n(-c3ccccc3)c(=O)c2c1C 409122024 YFQJJWFUSNQHKS-UHFFFAOYSA-N 436.602 5.879 0 40 IKAB CC(=O)Oc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 409184443 WXFBIHJRLNGBDN-UHFFFAOYSA-N 439.467 5.175 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCCOC)C2=O)ccc1OCc1ccc(C)cc1 409237378 IJVGFFMJGWAOJP-PXLXIMEGSA-N 441.549 5.046 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(OCC)c2)cc1 409255786 IVVXLHSMNNUOIS-UHFFFAOYSA-N 434.536 5.422 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2Cl)cc1S(=O)(=O)Nc1cccc(C)c1C 409380891 JPASOVCYASNWAV-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC(C)Oc1ccc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)cc1Cl 585091843 ZYJUPNBIDLXASL-UHFFFAOYSA-N 437.923 5.668 0 40 IKAB FC(F)(F)c1nc(-c2cccc([C@H]3CCCN(Cc4ccnc5ccccc45)C3)n2)no1 585266372 UXBQWPCVZLDZCW-INIZCTEOSA-N 439.441 5.078 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2ccccc2c1 1615055185 IJXMNPNUJSQEJP-GAJHUEQPSA-N 442.481 5.109 0 40 IKAB COCCCCCC(=O)Oc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC 2060989921 UPSSAHOZUIVUCE-XYOKQWHBSA-N 433.589 5.196 0 40 IKAB Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)c1 873573 XXYQNZXPBVSGBO-UHFFFAOYSA-N 445.548 5.248 0 40 IKAB Cc1ccc2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3N3CCCCC3)n12 877103 JTWZLUZMRURERY-UHFFFAOYSA-N 445.592 5.220 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 882043 RUQNODOMFMLCRO-UHFFFAOYSA-N 437.908 5.284 0 40 IKAB O=C(CSCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 1037888 PLCFAVVWPPSFIL-UHFFFAOYSA-N 428.145 5.010 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2cccc(OC)c2)cc1 1331514 XRXUBGHQFUSWJG-UHFFFAOYSA-N 441.531 5.031 0 40 IKAB CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 1591937 CQQAUKSQKSIDAD-VWLOTQADSA-N 425.016 6.799 0 40 IKAB Cc1c(OCc2ccc(F)cc2F)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2113741 VQGLDXBCOSLPRX-UHFFFAOYSA-N 446.405 5.732 0 40 IKAB biogenic CCOP(=O)(OCC)[C@@H](Nc1ccc(Br)cc1)c1ccc(OC)cc1 2272117 KNRYXYGFXFAXBV-GOSISDBHSA-N 428.263 5.835 0 40 IKAB CCC(CC)C(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)C(CC)CC)c2ccccc21 2313878 DWSBHSMKMDMHMO-IBVKSMDESA-N 434.624 6.759 0 40 IKAB COc1ccc(CCNc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCC4)cc1OC 2398064 PDUXAXPSCFFNQF-UHFFFAOYSA-N 448.592 5.523 0 40 IKAB Cc1ccc2nc(-c3nnc(-c4ccc5c(c4)c(C)c(C)n5Cc4ccccc4)o3)ccc2c1 2803464 IABPAYFLAODROI-UHFFFAOYSA-N 444.538 6.880 0 40 IKAB Cc1ccc(N[C@H](CC(=O)c2ccc(Cl)cc2)c2ccc(Br)cc2)cc1C 3059545 JWXJONXRLUJVMV-JOCHJYFZSA-N 442.784 7.146 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 3231562 PBZFGCQCYWBMHL-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 3240286 PNPDCZGBABKANI-HHHXNRCGSA-N 449.531 6.744 0 40 IKAB Cc1cc(C)cc(N(C(=O)c2cc3ccccc3oc2=O)c2nc3ccccc3s2)c1 3261945 MKFYWTNBMJWAGK-UHFFFAOYSA-N 426.497 5.998 0 40 IKAB O=C(COC(=O)Cc1coc2ccc3ccccc3c12)Nc1ccccc1Cc1ccccc1 3358189 ZHRVRFQNULHCOA-UHFFFAOYSA-N 449.506 5.901 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2Br)cc1 3655307 KPVXHCFWOFHHBD-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 4177822 HXFMAPRWVFBYGN-DMDPSCGWSA-N 432.899 5.273 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(c4ccccc4)c4ccccc4)cc3)sc2c1 8843197 WCCAOJURPOPZJF-UHFFFAOYSA-N 448.591 7.216 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC 9158030 WKLXYFDORGXFTG-WXVAWEFUSA-N 444.531 5.572 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(C)c3ccccc3c2=O)cc1OC 9327837 JPVQNGMHRVHPLB-UHFFFAOYSA-N 448.906 5.128 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Br)cc2)[nH]c2ccccc12 9426283 KSPHOBRIEPBBCA-XMMPIXPASA-N 445.360 6.553 0 40 IKAB CCCCn1nc(NS(=O)(=O)c2ccc(Cl)cc2)c2cc3cccc(C)c3nc21 9487633 VBZANLSJDJGBAK-UHFFFAOYSA-N 428.945 5.147 0 40 IKAB COc1cccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccc(Cl)cc4)c3C)no2)c1 9597838 BTKVBQSPZDEGCY-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB Cc1ccc(OCCOc2ccc(Cl)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 9679322 CHYRAWWHLCYZRR-CJLVFECKSA-N 433.891 5.451 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904071 JFFAZKAWIRBZCZ-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)c1 10335137 GSIKAMZEDKIHTM-UHFFFAOYSA-N 444.556 5.367 0 40 IKAB COc1ccc(Oc2c(C)nc(N)nc2-c2ccc(OCc3ccccc3)cc2O)cc1 11865072 WZDIDEYNVACCCN-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic CC1(C)C[C@H]2C[C@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 12389200 IHTUQSVNUBACSA-MATUZCBOSA-N 432.564 5.773 0 40 IKAB COc1ccc2c(c1)C(c1ccc(Cl)cc1)=NNC(c1ccc(Br)cc1)=N2 12486551 CHAVSBORJVCFHH-UHFFFAOYSA-N 440.728 5.545 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2ccc(Cl)cc2Cl)N1 12559593 BZZOWUSPHDXQKS-NRFANRHFSA-N 435.314 5.792 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c2sc(C(=O)N3CCn4c3nc3ccccc34)cc12 12754310 XYJJWOUWPBKBON-UHFFFAOYSA-N 447.951 5.118 0 40 IKAB CCc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3ccc(C)cc3)N2C1=O 12864919 JMDDYQZNOQMINW-AZGAKELHSA-N 435.527 5.522 0 40 IKAB biogenic c1ccc(-c2cnc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)o2)cc1 13117034 DEJCKFCWPITBSL-UHFFFAOYSA-N 436.606 6.383 0 40 IKAB Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3SCc3ccccc3)c(C)n2n1 13118077 DIXLJELMMDHTMB-UHFFFAOYSA-N 430.577 5.518 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C1CCCCC1 13942368 KNGIVVRBPBEWJW-HHHXNRCGSA-N 440.974 7.366 0 40 IKAB Cc1ccccc1OCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 14070369 ZCHXVXUHTBJUET-SFHVURJKSA-N 444.560 5.478 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cc(Cl)c4c(c3)OCCO4)ccc2OC)cc1 14085118 LNNNZWCLJITWNI-UHFFFAOYSA-N 425.868 5.048 0 40 IKAB CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 18008116 ADKLMBGYQANDGK-HMMYKYKNSA-N 446.890 5.157 0 40 IKAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC(c2ccc(Cc3ccccc3F)cn2)CC1 19690389 IEAGGWCAHBJPNZ-UHFFFAOYSA-N 448.929 5.132 0 40 IKAB CCc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 19881444 ZPHSCMHBYJWILW-NSHDSACASA-N 427.136 5.180 0 40 IKAB COC(=O)CC[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[C@H](O)[C@@]21C 19897765 FVYCOKNQUSFTBH-NQHVFNLMSA-N 448.644 5.137 0 40 IKAB biogenic,in-vitro O=S(=O)(c1ccc(F)cc1)N1c2cc(Cl)ccc2Oc2nc3ccccc3nc21 20030727 AEXPJFWWBXQEDR-UHFFFAOYSA-N 427.844 5.055 0 40 IKAB O=C(NC[C@H](c1ccsc1)N1CCc2ccccc2C1)c1ccc(C(F)(F)F)cc1 22766043 JUPKARFDRYOMOU-OAQYLSRUSA-N 430.495 5.296 0 40 IKAB Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)COc3ccccc3F)nc12 22855244 SFINDXAJVHJVMC-UHFFFAOYSA-N 441.915 5.404 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Br)cc1 22907902 QPPUXQODVXAHPD-FQEVSTJZSA-N 441.394 5.040 0 40 IKAB CCSc1ncc(Cl)c(C(=O)NC[C@@H](c2ccc(C(C)(C)C)cc2)N(CC)CC)n1 28290879 IZGPNVMWYXTPJX-IBGZPJMESA-N 449.064 5.352 0 40 IKAB Cc1sc2nc(S[C@@H](C)c3nc(-c4ccco4)no3)n(C3CCCC3)c(=O)c2c1C 29739430 CDSZSZBYTSYZOS-ZDUSSCGKSA-N 442.566 5.686 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 30854486 LIPRDQINGCBFRL-NDEPHWFRSA-N 442.603 5.771 0 40 IKAB Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cc2ccccc2o1 32114620 FHXOQKYRDDQVMG-UHFFFAOYSA-N 439.298 6.553 0 40 IKAB O=C(NC[C@H]1COc2ccccc2C1)c1ccccc1CSc1nc2ccccc2o1 32744644 OGQCLOVHTCOSOG-KRWDZBQOSA-N 430.529 5.101 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2)cc1OCc1ccccc1 33720752 VOSHRJLGMYGPNE-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(Cl)cc1 34805553 VKKABIXEWGERBO-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB O=C(NCCCc1ccco1)c1sc2c(cnc3ccc(Cl)cc32)c1-c1ccccc1 45943946 UBVCPZYXNUVMPX-UHFFFAOYSA-N 446.959 6.726 0 40 IKAB CC(C)c1ccc(Cc2cnc(NC(=O)/C=C/c3cc4cc(Cl)ccc4o3)s2)cc1 67339215 SBKZAXLHCACTNK-CSKARUKUSA-N 436.964 6.909 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1 101185569 QXMHGXKSTXCBJE-UPCLLVRISA-N 426.391 7.009 0 40 IKAB C[C@H](Oc1ccc(-c2nc(-c3ccc4[nH]cnc4c3)no2)cc1C(F)(F)F)C(F)(F)F 117145933 NJNXCJPSMWKXHO-VIFPVBQESA-N 442.319 5.628 0 40 IKAB investigational O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCc3ccccc32)cc1 216275537 PGWBMMAMCBLDHZ-UHFFFAOYSA-N 434.539 6.081 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 222704275 FXSAQBZMXBHQBY-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223089425 ZFFFAFWQQOONKE-QFIPXVFZSA-N 430.592 5.414 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 223225733 JUFIXIWIODKLCS-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223488883 NTUXDFIJMWUKIE-AREMUKBSSA-N 432.539 5.055 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 223738422 ZKSKEMYSCYTPFU-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB O=C(NCC1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 224123318 QFWAHBSWIQYLAV-XMMPIXPASA-N 443.012 5.424 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cc(C)cc(C)c1 224193371 QZJLOGXFDNPZLL-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224880640 TXKOLGYLWPEOND-PKTZIBPZSA-N 447.947 5.878 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)CCc3ccccc3)o2)cc1 224914220 BPQHJGJWLLDJBH-IBGZPJMESA-N 426.516 5.768 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccccc3)o2)c(OC)c1 224930518 UPOPDKZHDPOBPS-QGZVFWFLSA-N 428.488 5.517 0 40 IKAB O=C(c1ccccc1Br)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262159 GPIFRPHXBNUZSR-LICLKQGHSA-N 444.379 5.155 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H](CC(C)C)c2ccc(OC)cc2)ccc1Cl 225500587 NQBVHLICZJYZMM-HXUWFJFHSA-N 434.989 5.599 0 40 IKAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3)CCCCC2)cc1 225534776 KZJKQDXMKNKKTR-HSZRJFAPSA-N 434.624 6.171 0 40 IKAB CC(C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225695050 COPHFRQDFLCUJE-QHCPKHFHSA-N 442.603 5.193 0 40 IKAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743007 LYQPMEZCNDLOOO-QHCPKHFHSA-N 437.511 5.516 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2cc(C(F)(F)F)ccc21 225822498 ZCDZFVNIBQAFKK-UHFFFAOYSA-N 438.833 5.391 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc(Br)c1 225831583 GSQYMPCQEAVORX-UHFFFAOYSA-N 448.320 5.737 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)n1 257255059 KFXXQUCMFKXVIF-SFHVURJKSA-N 445.592 5.708 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Br)cc1 408562508 QKLBHQQMAZCAKD-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccc(Br)cc2)cc1 408578275 XBXYEQWCNKIMND-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB CCCCc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408624904 VQDQMTNQNIBXJY-UHFFFAOYSA-N 430.935 6.424 0 40 IKAB Cc1ccc(-n2nc(C(=O)NC3CCCCC3)nc2-c2ccc(Cl)cc2)cc1Cl 408692599 QJLHLTQIGPRHOH-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB COc1cc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)ccc1C 408969959 XTVIJDNAHMZFNL-JYRVWZFOSA-N 448.327 5.878 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409172934 MXPKOQYPZFPWLO-WPFQWDPVSA-N 442.990 6.567 0 40 IKAB CCN1CCCCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582014 HXVLXUKRMZRHAL-VWNXMTODSA-N 428.617 5.287 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cc(C)ccc2C)cc1 652499 LOPQSUJMZFTEGP-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCc1ccc([C@@H]2Nc3ccc(Br)cc3-c3nnc(SC)nc3O2)cc1 683329 OULJLHWAYCXJAP-QGZVFWFLSA-N 429.343 5.089 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccc(C)cc2)c1C 994401 GPIFEHVQAGSHDC-UHFFFAOYSA-N 436.533 5.355 0 40 IKAB Cc1ccccc1NC(=O)COc1ccccc1/C=C1/SC(=O)N(c2ccccc2)C1=O 1004709 YNIDBUSUTXIBCV-PXLXIMEGSA-N 444.512 5.253 0 40 IKAB O=C1N[C@@](c2ccccc2)(c2cccs2)C(=O)N1C1c2ccccc2Oc2ccccc21 1669970 KIWTZFIGKNXKOS-SANMLTNESA-N 438.508 5.439 0 40 IKAB Cc1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@@H](c1ccccc1)Oc1ccccc1-2 2060379 MNQJCTOHTGSXJR-WJOKGBTCSA-N 433.595 8.508 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2nc(-c3ccc(Cl)cc3)cs2)c1 2145355 LXXXXRVVROJECT-UHFFFAOYSA-N 445.997 5.625 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1nc(C)cs1)C3=O 2235383 OHLYPWWSGZVPHI-NRFANRHFSA-N 444.556 5.914 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(F)c(Cl)c2)cc1 2236623 NDYZIXTVBKQHFD-UHFFFAOYSA-N 430.914 6.726 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3ccccc23)c1 2238159 GRFXBBHTOHZBMH-UHFFFAOYSA-N 425.941 5.359 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@H](C(C)C)OC3 2285079 YWSGTDSNFIDLNJ-GOSISDBHSA-N 428.623 5.827 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2354538 GDPFGDMHZFYQDA-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCCNC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2418382 ILWLGMOMNMCVEG-UHFFFAOYSA-N 433.502 5.829 0 40 IKAB C[C@@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2721859 MXGBKYKQFLXFBJ-CQSZACIVSA-N 445.949 6.274 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3ccc(Cl)cc3)c2C(=O)OC)cc1 2889663 DYQHEVADHAPOEG-UHFFFAOYSA-N 429.925 5.896 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1c[nH]c2ccccc12 3355067 MZGDINDLJXCBHX-UHFFFAOYSA-N 436.606 5.892 0 40 IKAB C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@H](C)CC[C@H]1CCCO1 5743045 NCHOJZHFMFWTMB-MESAYYPLSA-N 440.621 5.499 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)c2ccccc2n1 8613074 KLMNRNARRMFUGB-UHFFFAOYSA-N 435.936 5.690 0 40 IKAB COc1ccc(CN(CC[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 8738752 WWCBCYJNXBONTI-SXOMAYOGSA-N 439.596 5.215 0 40 IKAB biogenic COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)c2ccco2)c1 8782730 UOWXKHBODKGGSD-HHJKRLRDSA-N 433.504 5.695 0 40 IKAB COc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1 8874196 OTQZKVDIFXGRBY-ZCBGOQAOSA-N 445.902 5.937 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)Nc3ccccc3)ccc2Cl)cc1 9136903 QYQZLKOYMMVGGP-UHFFFAOYSA-N 445.928 5.184 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)c1 9210595 XDIYZRSPOZLWSK-GMAHTHKFSA-N 425.315 6.244 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c(Cl)c1 9281162 YFVDRWSYNVHUJT-XXBNENTESA-N 439.298 5.964 0 40 IKAB CCOC(=O)c1cccc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)c1 9309155 AYDNBJUXZULJKE-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 9354990 KPIHMKXGWXNFIX-AREMUKBSSA-N 449.529 5.938 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 9591708 SBIWIHAYGSGLBU-IBGZPJMESA-N 427.500 5.995 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc(-c3ccccc3)c2C)cc1 9679004 CTFPQICEMJJKKO-UHFFFAOYSA-N 429.545 5.587 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1 10333851 SJUNIBXNZFJLFC-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 10359113 AKLCCKIVBVGCEH-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(-c3ccccc3)o2)sc2c1CC[C@@H](C)C2 11689920 YYCNLXWTKWNYIV-MRXNPFEDSA-N 437.561 5.881 0 40 IKAB O=S(=O)(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)c1ccc(Cl)cc1 11758706 LPWWABMPNMLMNJ-UHFFFAOYSA-N 446.903 5.003 0 40 IKAB Cc1cccc(Cn2nc(C(C)(C)C)cc2C(=O)Nc2cccc(OC(F)(F)F)c2)c1 12370091 CHTAZKTUONUFSE-UHFFFAOYSA-N 431.458 5.688 0 40 IKAB Cc1cc(N[C@H](NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 12490582 YUUIRIHCCSBENU-IKVITTDRSA-N 426.772 5.278 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nc(-c2ccccc2Cl)cs1 12542081 ROUCAJRNLGLBAZ-UHFFFAOYSA-N 428.970 5.851 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 12641212 FEEIYZSZEQGMEO-UHFFFAOYSA-N 429.545 5.792 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C(=O)N2 12788450 BMHWKUAPMWADPG-QFIPXVFZSA-N 448.448 6.341 0 40 IKAB O=C(c1ccc(C(F)(F)F)cc1)N(c1nc(-c2ccccc2)cs1)C1CCCCC1 13137800 QLIZHCIDESLFFB-UHFFFAOYSA-N 430.495 6.808 0 40 IKAB Cc1nc2cc(NC(=O)C3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)ccc2o1 13164293 OLFSZXXHCMWNGG-UHFFFAOYSA-N 438.837 5.059 0 40 IKAB Cc1cc(OCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(C)c1Cl 13749431 FZJAVIZYHQOMGR-UHFFFAOYSA-N 448.994 5.269 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(-c2cccc(F)c2)o1 13946331 HTKMHBBKGOKJRO-UHFFFAOYSA-N 432.417 6.347 0 40 IKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2C)c(O)c1 13955060 JVONFQQUPHYMOX-MRXNPFEDSA-N 438.911 5.321 0 40 IKAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 14704445 GCKVRJBVOSOVEN-MSOLQXFVSA-N 436.508 6.108 0 40 IKAB O=C1C[C@H](c2ccc(Cl)cc2Cl)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15081488 WLBOAPICLZMCSR-CYBMUJFWSA-N 436.291 6.033 0 40 IKAB O=C(Nc1ccc(F)cc1F)N[C@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778780 OQRPXSIAUPBAQY-LJQANCHMSA-N 440.837 5.579 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2c(C)cc(C)cc2C)NC(=S)N1 15913190 GONKGRMZKHBRDG-IBGZPJMESA-N 433.499 5.062 0 40 IKAB CC(C)c1cc(C(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c2ccccc2n1 16106361 LDNPVSJWAHSNNF-UHFFFAOYSA-N 425.536 5.595 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccc(Br)cc3)cc12 16993238 DRENJSATYZVVOQ-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB biogenic O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17096680 FLOCVNZIEUFDDM-UHFFFAOYSA-N 429.863 5.714 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2ccc(F)cc2)Nc2ccccc2S3)cc1 17096924 NQTHHMOVWIUFCK-JOCHJYFZSA-N 430.504 5.475 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(OC(C)C)cc3)n2)cc1Br 17197051 WPYKZWJICYTCDS-UHFFFAOYSA-N 447.354 5.621 0 40 IKAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1c(F)c(F)c(F)c(F)c1F 19630583 HLMJGXNGPCUPRN-UHFFFAOYSA-N 439.727 5.491 0 40 IKAB Cc1ccccc1-c1cc(C(=O)N2CCN(C/C=C/c3ccccc3)CC2)c2ccccc2n1 19646367 WHDJEZJDGYQYBY-UKTHLTGXSA-N 447.582 5.681 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3Cl)c2)cc1 20457049 LSVBTMLQRVIRSU-UHFFFAOYSA-N 441.980 5.810 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 20610946 RFYHDGDWLCXIRC-WYMLVPIESA-N 438.462 5.780 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3cccs3)no2)s1 21599319 CSVBOUDQRSTWQO-UHFFFAOYSA-N 437.590 5.372 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)c(C)c2)sc2c1CCN(Cc1ccccc1)C2 23153721 SQRMTFLPTIRFJO-UHFFFAOYSA-N 448.588 5.352 0 40 IKAB O=C(CCOc1cccc2ccccc12)N[C@H]1CCCc2c1cnn2Cc1ccccc1 24934730 MCTJNMIACYPTNZ-DEOSSOPVSA-N 425.532 5.047 0 40 IKAB CCCCN(CCCC)CN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O 27471669 YRNFJXBKRPJEDW-LGMDPLHJSA-N 425.392 5.345 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)Nc1ccc(Br)cc1F 32124604 RDKGHXPYSBKZIP-UHFFFAOYSA-N 443.272 5.127 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc2c(Cl)cccc12 32126448 KHXVCJKYUXUSQE-UHFFFAOYSA-N 448.909 7.707 0 40 IKAB O=c1[nH]c(CSc2ncc(Cl)cc2Cl)nc2scc(-c3ccc(F)cc3)c12 32778768 WDDGWHHEEBXYIL-UHFFFAOYSA-N 438.336 5.785 0 40 IKAB Cn1ccnc1SCc1ccc(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)o1 32818010 QKHGYUDQPARPAX-LJQANCHMSA-N 427.526 5.025 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 33777583 DGIIUOWZALQVHF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2N2CCCCC2)cc1Br 33787536 MMXYPSVXKFYCCE-UHFFFAOYSA-N 437.765 5.744 0 40 IKAB Cc1ccc(C)c(Cn2c3ccccc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400288 YOBQVXVZDZHCMA-UHFFFAOYSA-N 427.935 5.718 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501408 XVGKKDHWTBQWEO-KKSFZXQISA-N 425.479 5.038 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 44899673 RAKWUNXURXXOQF-RUZDIDTESA-N 430.548 5.072 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccco3)C(=O)NC3CCCCC3)cc2c1 57679010 CYYGAIPUDQJROG-UHFFFAOYSA-N 425.960 6.143 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cccc(Br)c2)cc1Cl 59483705 XDJNEUJFTAKCEW-FQEVSTJZSA-N 427.729 6.182 0 40 IKAB C[C@@H](Sc1nnc(CN2CCCCC2)n1Cc1ccccc1)c1ccc(F)c(F)c1 59926449 MIXVIDNUADHURX-QGZVFWFLSA-N 428.552 5.444 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1 72228710 CFCRGUKKMZDCAM-UHFFFAOYSA-N 448.592 6.147 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 72371738 YCTMOKFBBYSNIR-LJQANCHMSA-N 442.007 5.068 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@@H]2c2ccsc2)cc1 95929201 VVOIPIOEQBNGNG-RPWUZVMVSA-N 448.588 5.404 0 40 IKAB Cc1ccc(-c2nn3c(N4CCN(Cc5ccccc5Cl)CC4)cc(C)nc3c2C)cc1 96766516 GHWBVEVOKPHBHP-UHFFFAOYSA-N 445.998 5.297 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(C)c(Cl)c1)S(C)(=O)=O 220735151 CXXUGFGJVJIOSY-HXUWFJFHSA-N 437.005 5.264 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 222460924 RSHZUZWGUCQEDD-HSZRJFAPSA-N 426.626 5.118 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222747095 CRNYXZUHZDARQT-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2Br)o1 222805801 UHJHFZXTMRLGRL-MOPGFXCFSA-N 446.345 5.236 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(C)c2)cc1C 223437275 XEEKCNNZLWZEEC-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2OC)cc1 224266405 KEOYBTDZMAENCN-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 224465298 SDDZVNKXDZJOEU-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224544994 UNDSNKSMKWDKCX-DNQXCXABSA-N 445.519 5.666 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1CSc1ccccc1 224655545 RQKLCFIPHANKNS-UHFFFAOYSA-N 432.589 5.340 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224659952 YAJPBTGUIRHWJM-AREMUKBSSA-N 436.640 5.631 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)c1 224893865 NQIILUXVWSFDIP-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)ccc1F 224909946 OLXYYASFLSEZSM-BJKOFHAPSA-N 429.520 5.966 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)ccc1F 224914809 XTAZVRLRLQCBPK-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225377035 NBMOHUFFWSVXMY-NHCUHLMSSA-N 446.591 5.113 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)cc1OC 225869081 WZRJWQAEHPOMBF-UHFFFAOYSA-N 440.609 5.781 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(-c3cc(C(C)(C)C)cc(C(C)(C)C)c3)nn12 227142807 VHVRVJVAWGMUFO-UHFFFAOYSA-N 444.608 6.071 0 40 IKAB O=C1CS[C@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(Cl)cc1 408556795 KNHGHPGOSJHCEK-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562912 SGJLJPHVQAULMI-LVWGJNHUSA-N 433.404 6.545 0 40 IKAB CCCOc1c(Br)cc(CNc2cccc(C(=O)O)c2)cc1Br 408603565 BRAMNHQUOLCCMZ-UHFFFAOYSA-N 443.135 5.311 0 40 IKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1OC 408813782 OVRYUPCMNBFZND-DQJFTVIJSA-N 437.585 5.758 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)c(Br)cc1OCc1cccc(C)c1 408820060 SWJOKUAUACDUSU-NVMNQCDNSA-N 448.338 5.011 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)c(Cl)c1 408821889 AEHMGAIMJACDIK-UHFFFAOYSA-N 425.768 6.975 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1c1ccccc1Cl 409051428 CJPOUSMVVIIPPC-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3\SC(=O)N(c4ccccc4OC)C3=O)c2c1 409061046 BQDKBWOUUGUCSN-HAHDFKILSA-N 449.528 5.887 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(Cl)cc1 409114130 CNRVMYCIMRMPMZ-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 409178568 LHZOANFPPUBOLX-SFHVURJKSA-N 440.590 5.224 0 40 IKAB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409203713 YKOLLEYLQOQEHU-WOJGMQOQSA-N 425.849 5.539 0 40 IKAB CCCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3ccccc3C(F)(F)F)cc2)cc1 2037873298 BLKODWMEADVWQC-UHFFFAOYSA-N 447.478 5.444 0 40 IKAB COc1cc(C(=O)Nc2ccccc2C)cc(Br)c1OCc1ccccc1 622370 JHSNXSSZULJPQK-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)c1ccccc1 865690 BJGAFGXADZUOAB-XKQJLSEDSA-N 448.876 5.688 0 40 IKAB Cc1ccc(C)c(Cn2c(C)nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2=O)c1 930714 SSHPNRDVAXSNRE-UHFFFAOYSA-N 431.923 5.276 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C 1378381 UKBBEOPHRFEOSR-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CCN(CC)CCC[C@H](C)Nc1nc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 1591931 HFGYZBLTBPQNLZ-KRWDZBQOSA-N 426.992 5.881 0 40 IKAB CCCCC(=O)N(c1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)c(CCC)s1 2170759 TXJGHOPOATXERQ-UHFFFAOYSA-N 447.431 7.924 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)sc1C 2245746 WIEWPIZHYXQDRK-OAQYLSRUSA-N 444.556 5.914 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2253995 OTFSPFQRNMUPAG-UHFFFAOYSA-N 437.008 6.244 0 40 IKAB Nn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1Cl 2394277 FWYKVICTBRLRQE-UHFFFAOYSA-N 430.158 5.021 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2417712 NZFBFCZKLSYSOO-WMZHIEFXSA-N 431.532 5.123 0 40 IKAB O=C(Nc1ccccc1)c1c(-c2ccccc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2429744 AGJCFERSMAAIRB-UHFFFAOYSA-N 449.529 6.803 0 40 IKAB CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 2440267 SARYUVASQNVNNS-GOSISDBHSA-N 438.892 5.051 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 2704240 SKBVONNDGGSFKH-JOCHJYFZSA-N 431.875 5.206 0 40 IKAB COc1cnc(SCc2ccc(Cl)c(Cl)c2)nc1Sc1ccccc1Cl 3133186 ZKNZDHTWFWQRAZ-UHFFFAOYSA-N 443.808 6.889 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccccc2-c2ccccc2)cc1 3215236 NEYLJUNGIAFGIV-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)Cn2nnc(-c3ccccc3Cl)n2)c2ccccc21 3301336 HAMHHTFZRRXNLQ-UHFFFAOYSA-N 427.895 5.035 0 40 IKAB COc1cccc(CSc2nnc(-c3cccnc3)n2-c2cccc(C(F)(F)F)c2)c1 4145351 APMGBFHEXWONBL-UHFFFAOYSA-N 442.466 5.649 0 40 IKAB COc1ccccc1[C@]1(CCNCc2ccc(OC(C)C)cc2)CCO[C@@H](C(C)C)C1 5399509 IQUJHWGJJULTIB-KAYWLYCHSA-N 425.613 5.735 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O 5748811 ZYGWUUXTYQHKMO-KGZGOHRMSA-N 427.629 5.306 0 40 IKAB CC(C)C(=O)C[C@@H](c1ccc(Cl)cc1)N1N=C(C(C)C)C[C@H]1c1ccc(Cl)cc1 5841190 NBOLRIBMMHCLND-GOTSBHOMSA-N 431.407 7.109 0 40 IKAB O=C([C@@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCC(Cc2ccccc2)CC1 6529396 QZJSKHDTZVSGTB-HHHXNRCGSA-N 426.604 5.533 0 40 IKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccccc1C(C)(C)C 8717911 WCEQNSICQJDRBO-UHFFFAOYSA-N 429.563 5.578 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@H]2[C@@H]1c1ccccc1OC 8837859 ASEVQPKUGBNXIJ-YGPDHOBYSA-N 448.607 6.233 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 8862523 QJSCACXXVMASKN-NSHDSACASA-N 441.862 5.452 0 40 IKAB Cc1nc(-c2ccccc2)sc1-c1ccc(SCC(=O)Nc2ccc(F)cc2)nn1 9116624 HXCHCHGFKMTZTE-UHFFFAOYSA-N 436.537 5.445 0 40 IKAB COc1ccc(NC(=O)[C@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)cc1Cl 9128254 HRHHTWCKMCBILS-HSZRJFAPSA-N 446.890 5.434 0 40 IKAB COc1cc(-c2c(NC(=O)c3ccccc3)oc3c(C)cccc3c2=O)cc(OC)c1OC 9129754 BNSRLYKLFJUOBI-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2csc(-c3cccc(Cl)c3)n2)c1C 9154390 WTERGUJZEOUSIB-CYBMUJFWSA-N 430.913 5.039 0 40 IKAB Cc1cccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 9225623 QCLVFNCQHFCBSS-DEOSSOPVSA-N 434.948 5.128 0 40 IKAB CC[C@@H](C)Sc1nnc(CNC(=O)c2ccc(OC)cc2)n1-c1cccc(Cl)c1C 9390744 LIHLQQNETDQXMK-CQSZACIVSA-N 444.988 5.058 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)cc1 9414087 GVKYPPXRXMUVRF-ATVHPVEESA-N 426.472 5.736 0 40 IKAB Clc1ccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)cc1 9475186 SYYGUZDSFCVDBA-UHFFFAOYSA-N 427.895 5.792 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 9669542 RDSQUHZBIDDIHT-IBGZPJMESA-N 436.606 5.263 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccc2ccccc2c1 10246211 BSDJXDGLWJLVIR-UHFFFAOYSA-N 442.421 6.369 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(F)cc3F)oc12 12437471 TZDPQRAZAAASSW-RWEWTDSWSA-N 441.455 5.093 0 40 IKAB CCCSc1nsc(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)n1 12587782 LEUBTWLGHMLZLF-UHFFFAOYSA-N 441.607 5.266 0 40 IKAB O=C(N[C@H]1CCSc2ccccc21)c1cc(-c2ccccc2)c(N2CCOCC2)s1 12624320 LTQFPUAJEQXYKA-FQEVSTJZSA-N 436.602 5.219 0 40 IKAB COc1cc(CNCc2cc(Cl)c3c(c2)OCCCO3)ccc1OCc1ccccc1 12690124 NWKSXPCAROETIG-UHFFFAOYSA-N 439.939 5.379 0 40 IKAB O=C(c1ccccc1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 13041151 ZGVKQVSBCZUDFO-MRXNPFEDSA-N 433.360 5.943 0 40 IKAB Cc1c(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)oc2ccc(Cl)cc12 13101699 LKYCQXMXKFOLKX-UHFFFAOYSA-N 432.229 5.304 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc(OC(F)F)cc2)N1 13305945 GWHTZLLNCYPMNP-OAQYLSRUSA-N 449.482 5.820 0 40 IKAB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3ccc(C)cc3)nc2c1 15221274 ZBOYAPSMWZHAGP-UHFFFAOYSA-N 440.546 5.238 0 40 IKAB COc1cc(C(=O)Nc2c(C)cccc2C)cc(Br)c1OCc1ccccc1 15992407 UABSCTOFFZGTBK-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB COc1c(Br)cc(Br)cc1CNC1C2CC3CC(C2)CC1C3 16194479 ZAWMKBVUUJLOJL-UHFFFAOYSA-N 429.196 5.135 0 40 IKAB COc1ccc2c(C(F)(F)F)cc(SCc3cc4c(cc3Cl)OCO4)nc2c1 16227850 DKFVVNMYOXWOSL-UHFFFAOYSA-N 427.831 5.937 0 40 IKAB Cc1ccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c(Cl)c1 17095184 BLKBYYTUKWDTSK-UHFFFAOYSA-N 426.907 6.096 0 40 IKAB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1ccc(OCc2ccccc2)cc1 17095891 HQTZFNMUVBCLHL-UHFFFAOYSA-N 428.513 5.251 0 40 IKAB Cc1ccc(O)cc1N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 18167277 RZVWQUGFDNPMLO-DEDYPNTBSA-N 438.405 5.359 0 40 IKAB CCc1cc(C(=O)N2CCC(c3cc(C(=O)Nc4ccc(C)cc4C)on3)CC2)cs1 19522114 XPIDKJACAZSHCR-UHFFFAOYSA-N 437.565 5.187 0 40 IKAB CCCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(OC)c(OC)c1)C3 19882404 FNTPXNGCLCMZSW-UHFFFAOYSA-N 443.927 5.158 0 40 IKAB CCN1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)CC1 22529139 ABLCPOZNIDGTRE-ACCUITESSA-N 449.982 5.702 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 25064079 BQNCCNKJMBYRFV-JLHYYAGUSA-N 430.895 5.143 0 40 IKAB COc1cccc([C@@H]2CN[C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC 25480347 YUWKNXAQUIIHLZ-GBXCKJPGSA-N 430.573 5.732 0 40 IKAB CC(C)(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024229 JPSWSTZSCDNWPX-QIXNYHOWSA-N 448.419 5.055 0 40 IKAB CCc1ccccc1NC(=O)/C=C/c1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 30031376 ZTRRBEPQNTZGQL-DTQAZKPQSA-N 440.952 5.355 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(OCCSc2ccccc2)cc1 30848633 IPNYYDWWPGGZEC-UHFFFAOYSA-N 441.552 6.902 0 40 IKAB O=C(NCc1ccccc1OC(F)F)c1ccccc1CSc1nc2ccccc2o1 32885717 IOUIRPDDOAHQOM-UHFFFAOYSA-N 440.471 5.652 0 40 IKAB CCOc1nc2ccccc2nc1N1CCC(C(=O)Nc2cccc3ccccc23)CC1 33088309 BMLBIJCPQUEYMC-UHFFFAOYSA-N 426.520 5.037 0 40 IKAB O=C1N/C(=N\c2ccc(F)cc2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648106 LRGHSOJCCGLQPR-YVLHZVERSA-N 433.291 6.284 0 40 IKAB O=C1C[C@H](C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c2ccccc2N1 39538415 RWSOEBZOGCBQCM-ZDUSSCGKSA-N 437.571 5.665 0 40 IKAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 40119465 ZKNHLAGYHWUCNK-LJQANCHMSA-N 432.568 5.057 0 40 IKAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)CCCCCC(=O)Nc1ccccc1 44699371 HFNCPUKVONEFHY-UHFFFAOYSA-N 425.529 5.561 0 40 IKAB in-vitro COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 44885451 BNPWFNQGGRVNGD-RUZDIDTESA-N 437.967 6.445 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 59472561 VBQBCTILHPCZEK-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72358096 UUUFZKAJVSNXLD-XMMPIXPASA-N 433.939 5.262 0 40 IKAB Cc1ccccc1-n1c(SCc2cccc(F)c2)nc2c(-c3ccccc3)c[nH]c2c1=O 73686399 DPMFRHYTUWGMQV-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607550 VICAZAPRGJGENM-UHFFFAOYSA-N 440.465 5.302 0 40 IKAB COc1cc(/C=C/c2nc3ccccc3c(-c3ccccc3)c2C(=O)O)cc(OC)c1OC 96026312 JUIYXQNTXONMHS-BUHFOSPRSA-N 441.483 5.796 0 40 IKAB COC(=O)c1sc2nc(/C(=C/c3ccc(SC)cc3)c3ccccc3)[nH]c(=O)c2c1C 96765879 XDKRCDXTJDPNQD-QGOAFFKASA-N 448.569 5.390 0 40 IKAB CC1(C)[C@@]2(C(=O)Nc3ccc(OC(F)(F)F)cc3)CC[C@@]1(C)c1nc3ccccc3nc12 100190326 ZUKPCHLNQRQMCG-GOTSBHOMSA-N 441.453 5.496 0 40 IKAB FC(F)(F)c1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C=C(c1ccc(Cl)cc1)N2 102300296 YRPMBMULHYKEDX-CQSZACIVSA-N 445.659 6.313 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 103718981 RTNRTOKWBMNGJX-LLVKDONJSA-N 442.140 5.056 0 40 IKAB CCOc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1Br 218875161 HMHWRFUODVPQNC-UHFFFAOYSA-N 434.374 5.099 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222979342 DZRCJUQMCUEAFF-YADHBBJMSA-N 425.001 5.607 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223347953 LXNWZLMATKAUJB-DEOSSOPVSA-N 434.967 5.382 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223653971 BINVHOSFLLCMHI-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(Cl)c3)c2)cc1 224490158 LAJZBUXUGJHGCA-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c(OC)c1 224823202 CTEOUEUBWOGZBW-BJKOFHAPSA-N 448.592 5.193 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 224985180 XLKITTJOAGFKOR-UHFFFAOYSA-N 432.800 5.854 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)ccc1Cl 225500551 NQBVHLICZJYZMM-FQEVSTJZSA-N 434.989 5.599 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(Cc3ccc(Oc4ccccc4)cc3)nn12 227143293 ORBMESYZNMXEOM-UHFFFAOYSA-N 438.516 5.192 0 40 IKAB Cc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)oc2ccc(F)cc12 257214231 CLDOONXUFVLWOG-WIOPSUGQSA-N 443.490 5.090 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccc4c(c3)nc(C)n4C)C2)n1 257223187 DWHNEIHFFCMFDK-NRFANRHFSA-N 442.538 5.411 0 40 IKAB O=C(O)c1cccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)c1 408614182 ZNAZLZKICIRKMS-UHFFFAOYSA-N 436.722 6.536 0 40 IKAB COc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 408810159 LPVKKLPRTKSSCC-UHFFFAOYSA-N 435.500 5.176 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c(OC)c1 408814565 VTUCCLWFGFUEOP-ADRBLELWSA-N 437.585 5.758 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 408919330 WNABOGRRIFDPPN-AYIBLLACSA-N 443.930 5.223 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CNc2ccccc2C)cc1 409120979 XNNMVMRMMONIOD-UHFFFAOYSA-N 446.366 5.446 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2C)c1 409151495 HIJRYMYXWJNMJC-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409231722 LSHUPQSKKTVNBJ-HZHRSRAPSA-N 433.529 5.874 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br 409334219 WGVRLDBPYUYNIW-AQTBWJFISA-N 432.339 5.127 0 40 IKAB O=C(Nc1ccc2cc(C(=O)Nc3nccs3)ccc2c1)c1ccc(Cl)c(Cl)c1 1775937475 MRITYVDXXFOOAU-UHFFFAOYSA-N 442.327 6.108 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(CNc2ccc(C)cc2)n1CC 886976 GIMUKCIGJSGEKY-UHFFFAOYSA-N 437.613 5.074 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)o1 1341829 IXCBURHVKWHSQG-NRFANRHFSA-N 426.538 5.075 0 40 IKAB CC(C)(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccccc4Cl)n3)ccc21 1366733 NYFAZLOYJAYLQO-UHFFFAOYSA-N 439.968 5.651 0 40 IKAB CCN(CC)c1ccc(N[C@H](C(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 1665283 VJAFYJHWGYLCMM-QHCPKHFHSA-N 427.375 6.876 0 40 IKAB COc1ccc([C@H](CN(C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC 1758872 VNXGWXHCHMZQTK-SANMLTNESA-N 447.575 5.460 0 40 IKAB CCCCCCn1c(O)c(C(=O)Nc2ccccc2Br)c(=O)c2ccccc21 2056435 SVIFTPIKZGXIDG-UHFFFAOYSA-N 443.341 5.302 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)c3ccccc3n2)cc1 2086318 DTAQRWNRPBKCDO-UHFFFAOYSA-N 442.562 7.053 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 2250721 MQEUZVWAKMLHMT-AREMUKBSSA-N 448.588 5.329 0 40 IKAB C=Cc1ccc(COc2cc3oc(=O)c(CCC(=O)OCC)c(C)c3cc2Cl)cc1 2385838 HOBUYJPODNXVHJ-UHFFFAOYSA-N 426.896 5.473 0 40 IKAB Cc1cc(C)cc(-n2c(N)c(C(=O)NCCCc3ccccc3)c3nc4ccccc4nc32)c1 2408261 HEHHBSJNSIVHFR-UHFFFAOYSA-N 449.558 5.135 0 40 IKAB COc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 2478165 MQVFGYISOQFZAJ-UHFFFAOYSA-N 442.231 5.236 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccc(Cl)cc4)CC3)cc2)c1 2622219 JRTVVGSZKIHTTC-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1-c1ccccc1 2725825 SLJLCPQQLNATBU-UHFFFAOYSA-N 434.293 5.077 0 40 IKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2cc(Cl)ccc2Cl)n1 2733411 FTGVJRWSYWUVEM-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H](C)Oc1ccccc1 2768638 KLTCXBHORMSMLP-AWEZNQCLSA-N 429.925 5.651 0 40 IKAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3241627 DAMLKNROMZBCFH-UHFFFAOYSA-N 432.498 6.638 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1cccc(C(F)(F)F)c1 3261729 HJYBATNAODZDSB-UHFFFAOYSA-N 449.428 6.269 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(Br)s1 3309979 APLBBFOBUOIODT-UHFFFAOYSA-N 446.351 5.326 0 40 IKAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)c2ccccc2)c1 3397216 YHNJSNKJOSIMFY-KOEQRZSOSA-N 429.516 5.541 0 40 IKAB CCCC[C@H](CC)CN(C[C@@H](CC)CCCC)C(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC 4428353 IMSODBOSRXBZSK-ROHNOIKCSA-N 439.725 7.396 0 40 IKAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(O)nn3C2CCCCCC2)cc1 5736998 VOUYQVCTURYMDU-NRFANRHFSA-N 429.586 5.438 0 40 IKAB CCOc1cc(C(=O)NCc2cccc3ccccc23)ccc1OCc1ccc(C)cc1 6595614 LLPSNCGBZBODOJ-UHFFFAOYSA-N 425.528 6.056 0 40 IKAB Cc1ccc(C)c(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 9379800 KDUQOUQTGSJVOE-HHHXNRCGSA-N 437.587 5.839 0 40 IKAB COc1cccc(-c2csc(N3N=C(C)C[C@H]3c3cc(OC)c(OC)c(OC)c3)n2)c1 9485783 BQNMVLPWKRPPIZ-IBGZPJMESA-N 439.537 5.172 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1cccs1 9518372 NWYMEIWBQVEUQX-UHFFFAOYSA-N 446.406 5.898 0 40 IKAB Cn1ccnc1SCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 9685447 ITGKOEVAWGDUAT-UHFFFAOYSA-N 442.544 5.070 0 40 IKAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3)c3ccc(Cl)cc3c2=O)cc1 9856194 LYGPBXWHLZWRSD-UHFFFAOYSA-N 444.918 5.087 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)c1nc(-c2ccccc2)c2ccccc2n1 9950719 POLIUJZYAONLOZ-UHFFFAOYSA-N 437.330 5.679 0 40 IKAB O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2c(Cl)cccc2s1 10337705 ORSWVUZRVZKVLW-BQYQJAHWSA-N 428.970 5.344 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 10445221 WGTNSFZSXOJJNV-GFCCVEGCSA-N 448.391 5.054 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)c(C)c1 12414871 GUGSOLVAIWBQOO-UHFFFAOYSA-N 429.563 5.318 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(OC[C@H]3CCCO3)C2=C(N2CCCCC2)C1 12491029 FPHJHUUUCKCBSR-PLTNMMHCSA-N 443.528 5.769 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 12553953 YIWXMBCMJFUFDC-LJQANCHMSA-N 449.498 5.137 0 40 IKAB COc1cccc(Nc2nnc(SCc3nc4ccccc4c(C)c3Cl)s2)c1 12620059 RSPQDVQYXZLOPC-UHFFFAOYSA-N 428.970 6.093 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C[C@H]2CCCO2)c1C 12733128 PPJIHOBNLXSFMX-TZIWHRDSSA-N 435.593 5.465 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 12825433 KWPXIEOXGHDVBN-UHFFFAOYSA-N 442.563 5.152 0 40 IKAB Cc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)cc1 12866829 FCNNEOBGLKPFGC-AHKZPQOWSA-N 449.554 6.083 0 40 IKAB biogenic Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)oc2c1 13895969 ZXMFKJDRPSTWLX-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Cl)cc1Cl 14070021 NCQZFRNZQWNDAM-UHFFFAOYSA-N 433.191 6.871 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)Cc1coc2cc(C)c(C)cc12 15000956 PDSNKHOGGONDLX-UHFFFAOYSA-N 432.442 5.098 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c(F)c1F 17096800 IWWQFGKINNFHAH-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2cn(C)nc2C)n1 19690870 CMTLYJZBWDIATH-QHCPKHFHSA-N 428.502 5.379 0 40 IKAB CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 20065169 NKPVUUAYPKTESU-NOZRDPDXSA-N 441.531 5.183 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(O[C@@H](C)CC)cc4)cc3n2)cc1 20610309 BRLSRCNEOHPGHN-KRWDZBQOSA-N 430.508 5.249 0 40 IKAB CCn1ncc2c(C(=O)N3CCC[C@@H]3c3ccc(OC)cc3)cc(-c3cccs3)nc21 21625380 RCDQNCCEGBAPCM-OAQYLSRUSA-N 432.549 5.166 0 40 IKAB CCc1cccc2c(C(=O)[C@@H](Sc3nncn3Cc3ccco3)c3ccccc3)c[nH]c12 22193698 PRCAENZLSVITBF-DEOSSOPVSA-N 442.544 5.679 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(SCc3nnc(C)o3)nc3ccc(Cl)cc3c2=O)cc1 23482237 QFZXSYIJWVEQEN-CYBMUJFWSA-N 440.956 5.536 0 40 IKAB COc1c(Br)cc(F)cc1NC(=O)c1ccc(-c2ccc(C(C)=O)cc2)o1 23513275 HOEUBEYRRUKGKX-UHFFFAOYSA-N 432.245 5.312 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](c2nc3ccccc3o2)C1 24683195 PZNUGFUIHBTDHC-LBPRGKRZSA-N 444.862 5.068 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccccc1Br 24971414 CPIPIEMXDZWBIN-UHFFFAOYSA-N 425.330 5.076 0 40 IKAB Cc1ccccc1-c1c(C)oc2c(C)c(OCc3c(Cl)cccc3Cl)ccc2c1=O 24986313 JBFCSMFOPPQRDY-UHFFFAOYSA-N 439.338 7.271 0 40 IKAB CCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccc(Cl)c(C)c3)ccc21 26121196 MCYSPACNQPUAJB-UHFFFAOYSA-N 440.975 5.021 0 40 IKAB CCOP(=O)(OCC)[C@H](NC(=O)/C=C/c1ccccc1Cl)C(Cl)(Cl)Cl 26962920 PYBVVWZAECKYBM-HBWSCVEGSA-N 449.098 5.432 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)s2)c1 27027331 QEGJEAIPEBPDKG-UHFFFAOYSA-N 425.366 5.628 0 40 IKAB COc1ccc([C@@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1Br 28232313 HWBVDJBRLDFTAH-INIZCTEOSA-N 427.751 5.391 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)c1cccc2c(Br)cccc12 32116723 OVAXFILSOFTJCF-UHFFFAOYSA-N 428.635 6.527 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Br)c2)C1=O)c1ccc(Cl)cc1 33984721 GIKVODPEDFQKDE-CXUHLZMHSA-N 436.714 5.022 0 40 IKAB CCc1ccccc1NC(=O)c1cc(Br)c(OC)c(OCc2ccccc2)c1 34702685 FTTJVJFPUJDVBK-UHFFFAOYSA-N 440.337 5.851 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(I)cc3C)o2)cc1C 34718260 YJTPPWQZTPYPNJ-UHFFFAOYSA-N 431.273 5.729 0 40 IKAB CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 35042883 KLZRSWNMCAQLGX-NDENLUEZSA-N 437.908 5.641 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2F)sc(C)c1-c1ccc(F)cc1 40161433 BVDCCCOWMUIYMB-UHFFFAOYSA-N 432.517 5.987 0 40 IKAB Cc1ccc([C@@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)N(C)C)o1 41157327 DOVJGEZVCCMXHO-HXUWFJFHSA-N 439.519 5.568 0 40 IKAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)cc1Cl 44918275 KHILFAOWOHQRJF-KRWDZBQOSA-N 445.306 5.175 0 40 IKAB c1ccc(CC23N=NC(Cc4ccccc4)([C@H]4c5ccccc5[C@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 45070114 IQRJNKFXXMODER-FOVQSURQSA-N 438.574 7.191 0 40 IKAB Fc1ccc(-c2nnc(Cc3nc(-c4ccc(OCc5ccccc5)cc4)no3)o2)cc1 49405273 NXCOFUANEOJJOZ-UHFFFAOYSA-N 428.423 5.096 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)c1C 58310481 IHUSTPPYBLGVFY-UHFFFAOYSA-N 439.519 5.063 0 40 IKAB Cc1ccccc1N(CN1C(=O)c2ccccc2C1=O)C(=O)c1ccc(Cl)cc1Cl 59502207 DIVMHEKSDWWOQR-UHFFFAOYSA-N 439.298 5.202 0 40 IKAB COC(=O)CCCCCCCCCCCCCCCCCCCCCCCCCCO 64220140 ZAQRUXNSJGDQHV-UHFFFAOYSA-N 440.753 8.904 0 40 IKAB biogenic CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 64453567 VGSSUFQMXBFFTM-METNKUIYSA-N 448.732 6.190 0 40 IKAB endogenous,in-man O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1cccc(Cl)c1 67245442 FUXRKMUAPIEKNN-UHFFFAOYSA-N 443.846 5.090 0 40 IKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 67257533 BCUSEVRDBYVOAQ-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1 72215014 NANMLYBHNIKVGM-QFIPXVFZSA-N 437.584 5.991 0 40 IKAB CC(C)n1c([C@@H]2CCCN(C(=O)Nc3ccccc3C(F)(F)F)C2)nc2ccccc21 72305826 WHQNZVCAMURVBQ-MRXNPFEDSA-N 430.474 6.048 0 40 IKAB FC(F)(F)c1cccc(NC(=S)N2CCCC3=C[C@@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c1 100765169 HTSQOTRABQZKFA-DEPWHIHDSA-N 435.559 5.297 0 40 IKAB biogenic COc1ccc(-c2csc(C3=C(O)CN([C@@H](C)CCc4ccco4)C3=N)n2)cc1OC 102724369 VAPAQSUREMNFPB-AWEZNQCLSA-N 439.537 5.004 0 40 IKAB N=C1S[C@@H](C(=O)c2ccccc2)[C@@](Br)(c2ccccc2)N1c1ccccc1 104822655 AHUSPTPILYVXOB-RBBKRZOGSA-N 437.362 5.674 0 40 IKAB C[C@H](CC[C@H](O)c1ccccc1)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118926917 PRJNMBBZEPYCTP-ATAQOTTRSA-N 436.680 7.076 0 40 IKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2n1 215735060 MEXXFGKAGGQTGJ-UHFFFAOYSA-N 435.349 5.357 0 40 IKAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1Sc1ccccc1)CCCC2 222682186 VBEJCKNZBAFOJX-UHFFFAOYSA-N 425.575 5.526 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)cc1 222770802 SKOUGNSQBBYZEO-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222861593 FQJOJYYVWFKWNY-PKTZIBPZSA-N 439.028 5.833 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 222985248 VQZZTDOIYIIMDO-CPJSRVTESA-N 430.548 5.591 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)N[C@@H](C)CC)cc1 223072428 WOPDGMJGVCCCNI-RBUKOAKNSA-N 429.004 5.167 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 223380780 VSAUTSCXVCHNCI-CLJLJLNGSA-N 444.648 6.178 0 40 IKAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394950 SGIJWFQLIICUMN-ZEQRLZLVSA-N 428.536 5.184 0 40 IKAB CN(c1ccccc1F)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 224152242 KTRHGMIYXFBSHL-UHFFFAOYSA-N 434.492 5.056 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1C 224284776 FYVBNJYBZAHGNO-DQEYMECFSA-N 430.621 6.182 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 224311689 YKUGZFWHEQAICZ-LJQANCHMSA-N 439.408 5.029 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCCC1 224396992 HZEAGZGUSMHNBH-LOSJGSFVSA-N 448.611 6.321 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccc(CSc2ccccc2)cc1 224644984 WNZGDOHTPGPEAG-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224848130 IYJZGMPHRUCIRQ-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 225011338 YNUIYZUAZTZZMO-INIZCTEOSA-N 427.932 5.248 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C1CC1 225037943 JJRRVJFBBANHFH-RPBOFIJWSA-N 445.636 5.310 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225251349 XNMRQFFUIBKNOW-SJORKVTESA-N 435.395 5.258 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225280894 FMJMUSJHVSLRRS-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 225340741 IGWHPFNTBRXLQB-LOSJGSFVSA-N 446.620 5.963 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC(C)CC1 225669189 PKRHICKNWVQMJP-GUXMJAIHSA-N 430.633 5.501 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225700500 IKGLHULYOOUDRS-OAQYLSRUSA-N 433.017 5.154 0 40 IKAB COc1ccc(-c2nnsc2C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 225887964 HAWRBPBHDYHMQO-UHFFFAOYSA-N 449.919 5.350 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccco4)Oc4ccc(Br)cc4[C@H]3C2)cc1 245015139 LNTNLAJINDHWHT-KNQAVFIVSA-N 439.309 5.683 0 40 IKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)C(c1ccccc1)c1ccccc1 408527882 CYKPCHWNPSFPTF-UHFFFAOYSA-N 442.518 6.548 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(Cl)cc1 408560153 CGKNOVLDGVURIC-GFMRDNFCSA-N 439.795 6.500 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(C)c(C)c1 408561776 LDHPPYOKVLWRQG-DQSJHHFOSA-N 428.601 6.700 0 40 IKAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1S(=O)(=O)Nc1cccc(C)c1C 408622734 QUYKRWHYMGHPEA-UHFFFAOYSA-N 428.598 5.255 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408694328 JCNPWRCNHWZEQU-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CC1CCN(c2ccccc2NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)CC1 408708106 OCYZUCCEPKSKHS-INIZCTEOSA-N 446.378 5.221 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 409099374 QTEUGAITTUGJTF-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1F 409192097 UTHQPUFGIITVDC-UHFFFAOYSA-N 444.325 6.453 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3cccc(C)c3)n(C)c2-c2ccc(OC)cc2)cc1 409207749 ZCSKQHAYIYRXSJ-RQZHXJHFSA-N 444.556 5.487 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409229027 IOGFPQYLOKXUFB-DEDYPNTBSA-N 445.968 6.072 0 40 IKAB NC(=O)CCOc1ccc(NC(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 517296907 JWUBNSLEIQBNHU-UHFFFAOYSA-N 444.409 5.004 0 40 IKAB COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2cccc(OC)c2)CN3Cc2ccccc2)cc1 1848354042 BTUCHGOFURJAEG-MPFGFTFXSA-N 442.603 5.194 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)o2)c1 687473 OJZZFIRBZNDBIW-UHFFFAOYSA-N 446.370 5.662 0 40 IKAB O=C(Nc1ccc(F)cc1)/C(=C\c1ccc(Br)cc1)NC(=O)c1cccs1 838932 NSYAGTDUPMEQEC-SFQUDFHCSA-N 445.313 5.059 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 883230 KEDJDKXXXRJFAI-UHFFFAOYSA-N 447.991 5.889 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 900445 WILAECQAKXQKFQ-OALUTQOASA-N 430.886 5.769 0 40 IKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4cccc(Cl)c4Cl)n3c2c1 903057 SAFJDUSPKBIIIE-UHFFFAOYSA-N 431.348 5.537 0 40 IKAB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1C[C@H]1CCCO1 952429 PZWOLFPHLXSZNW-MRXNPFEDSA-N 441.622 5.142 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1nc2ccccc2[nH]1 1036438 DAVXERYQVBYBCH-UHFFFAOYSA-N 437.546 5.199 0 40 IKAB COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCC(=O)c2ccccc2)cc1 1221488 RUZQXTCODQWEHM-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2cccc(Cl)c2Cl)o1 1266090 KCRXPELVRKQMRS-UHFFFAOYSA-N 429.072 6.407 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 1339123 NUAFMKVSNPFXRT-VWLOTQADSA-N 445.538 5.366 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c(C)c1 1864892 HBDULSIDJXEYKO-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 2093665 OYUVGXYUJVOAQI-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2233488 WSAUPTDJSFTNET-CQSZACIVSA-N 440.421 5.970 0 40 IKAB FC(F)(F)c1cc(NC(=S)N2CCN(c3ccccc3)CC2)cc(C(F)(F)F)c1 2380960 BNVDCCQPVAVGQM-UHFFFAOYSA-N 433.421 5.243 0 40 IKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2F)c(-c2ccc(Cl)cc2)c1=O 2440252 FYMKNTYJHXJTMB-UHFFFAOYSA-N 433.870 5.253 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccco2)c1 2444875 MFGPILZUPJDMKC-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB CN(C)c1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 2736956 KVEANEWMSVHOBM-UHFFFAOYSA-N 426.307 5.046 0 40 IKAB O=P(Nc1cc(C(F)(F)F)ccc1Cl)(Oc1ccccc1)Oc1ccccc1 3028200 UGOXDDKZYDCZCH-UHFFFAOYSA-N 427.746 7.037 0 40 IKAB Fc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)n2-c2ccc(Cl)cc2)cc1 3264015 HITMFDSCISQWCA-UHFFFAOYSA-N 434.927 6.500 0 40 IKAB Clc1ccc(-n2c(COc3ccccc3)nnc2SCc2ccccc2Cl)cc1 3295746 KZTHTCAGOKBZDV-UHFFFAOYSA-N 442.371 6.445 0 40 IKAB CC[C@@H]1CSc2n(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(OC(F)F)cc3)c[n+]21 3298622 JUSVIXPLXUCNOC-CYBMUJFWSA-N 442.338 6.397 0 40 IKAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3340577 BSNJVUZVWWSQJS-LLVKDONJSA-N 426.851 5.059 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)n2)c(C)c1 3374835 RJSNPGZWHAIYDD-UHFFFAOYSA-N 441.984 5.537 0 40 IKAB COc1ccc(-c2cnnn2-c2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)cc1 3582278 NVEBFVNGJYPUGI-UHFFFAOYSA-N 438.409 5.214 0 40 IKAB CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655605 MFRJSNHFAMGZHR-UHFFFAOYSA-N 433.891 5.897 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 7543395 DSZVPFKPPARSLG-NRFANRHFSA-N 425.532 5.198 0 40 IKAB CC[C@H](C)c1ccc([C@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 7719303 UFILVDRYUJMLGM-SSOJOUAXSA-N 425.573 5.093 0 40 IKAB Clc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 8386284 ZWBGTOKGGYGMEN-HXUWFJFHSA-N 436.169 7.656 0 40 IKAB O=C1[C@H](Oc2ccc(Cl)cc2)[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(Cl)c1 8430478 XZBPLKWEYPOIEE-NHCUHLMSSA-N 428.271 5.258 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 8708800 KJZNCMCPYQUPRI-UHFFFAOYSA-N 440.952 5.852 0 40 IKAB O=C(CCNc1cccc(Cl)c1)c1ccc(C(=O)CCNc2cccc(Cl)c2)cc1 8782987 SWDWYBVSFBAVGJ-UHFFFAOYSA-N 441.358 6.363 0 40 IKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 8832287 MMNKXAKYSAAJSJ-UKTHLTGXSA-N 443.374 7.060 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@@H]1C)c1nc2ccccc2c(=O)[nH]1 8888024 PGBAWKOSYNMYFQ-FTRWYGJKSA-N 446.580 5.181 0 40 IKAB c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4ccc5c(c4)OCO5)=NN23)cc1 9234758 MXKLKHKDQYOCAB-CJWSQJNTSA-N 438.527 6.013 0 40 IKAB CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3cccc(C)c3nc21 9350650 IFKGUZKSJWSJPS-UHFFFAOYSA-N 437.341 5.708 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2F)cc1OC 9426359 ROWXVFOMJXEEJC-QHCPKHFHSA-N 431.467 5.193 0 40 IKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1ccc(-n2cccn2)cc1 9478268 DBKPGXCIUTXTLF-UHFFFAOYSA-N 447.560 5.184 0 40 IKAB COc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1 9487404 XLTYIGJTUAXSLA-UHFFFAOYSA-N 434.543 6.356 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccccc1Cl 9508664 LMEYXMGDTWFYJZ-UHFFFAOYSA-N 434.952 5.533 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@H]1CCCO1)c1ccc2ccccc2c1 9534884 ORGQKENKULQJKV-JOCHJYFZSA-N 447.535 5.391 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 9575457 LROYXIMQYZYMNT-XMMPIXPASA-N 435.545 5.637 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(OC)cc2)on1 9597824 MJUDDMUKLHNLSY-UHFFFAOYSA-N 448.500 5.508 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccccc1Cl 9952052 CYNSVAAYFXCTRT-UHFFFAOYSA-N 434.348 5.474 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ccc(C)c(C)c2)cc1 13096288 SJASVZVCMVWRLC-GOSISDBHSA-N 434.561 5.684 0 40 IKAB CC(C)[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1ccc2c(c1)OCCCO2 13096602 ZTAATQDLTIWCSD-NRFANRHFSA-N 440.392 5.760 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@H](C)Oc1ccccc1Cl 13870943 MVALLPFZYDDABR-CVEARBPZSA-N 444.988 5.061 0 40 IKAB C[C@H]1C[C@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 13940060 CJIMPNHZPWPCSQ-DWACAAAGSA-N 446.550 6.514 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cc(OC)ccc3Br)sc2C)cc1 14242345 ZFQBICQLWMAZNT-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB O=C(COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Br)cc1 15222087 JRMWOUGOUHKOHD-UHFFFAOYSA-N 425.366 6.179 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2ccccc2)C1 15946059 QZCLYQFWZFPSHH-KRWDZBQOSA-N 439.625 5.186 0 40 IKAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 16047934 VSJPBMMMAIJMOJ-UHFFFAOYSA-N 436.558 5.074 0 40 IKAB Cc1ccc(SCCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 16310956 QLRGOOMWBMNVQZ-UHFFFAOYSA-N 430.617 5.411 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 16639231 XPXOWJGCZGQOPL-IBGZPJMESA-N 442.559 7.440 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccco1 16750063 LZCHMWXXAVZYME-UHFFFAOYSA-N 432.457 5.736 0 40 IKAB CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N=C2O)c1 16956498 IHRGYHRDNJEIJP-ZHZULCJRSA-N 435.574 6.047 0 40 IKAB CC(C)c1ccc(/C=C2\CSCC3=C2NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 17254563 VWMQARYYHFGNNJ-JGTYQCAFSA-N 434.674 6.537 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1Cl 19648304 GPMVIZLHXUEYAA-INIZCTEOSA-N 448.950 7.313 0 40 IKAB O=C1[C@@H](C2CCN(Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 19698447 JYGPVYCAGXCNCT-AREMUKBSSA-N 443.566 5.191 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cc(C)cc(C)c2)cc1 19947518 ASAPMZPUYNVEAL-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc(C(=O)O)c1O 20150944 OHGRBIQDGVWYGA-SOFGYWHQSA-N 432.259 5.618 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C)c(C)c3)c2c1 20940053 WTBOHYDOIVMVOY-UHFFFAOYSA-N 425.532 5.178 0 40 IKAB COc1cc(CN(C(=O)c2cc(F)c(Cl)cc2Cl)C2CC2)ccc1OC(F)F 21600347 PINBHYVYXHQSEM-UHFFFAOYSA-N 434.241 5.547 0 40 IKAB O=C(COC(=O)c1csc(-c2ccsc2)n1)Nc1ccc(Oc2ccccc2)cc1 21998209 CEOUEGJNCXCJTP-UHFFFAOYSA-N 436.514 5.459 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1c(OCc2ccccc2Cl)ccc2ccccc12 22109758 BQNAMUZMWDLYNM-UHFFFAOYSA-N 438.984 6.022 0 40 IKAB Cc1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 22415092 OGSNJSLJGHHKCJ-INIZCTEOSA-N 448.375 5.646 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2nc3ccccc3n2CCN2CCCCC2)c1 28305469 WAYJVYUUAGISME-UHFFFAOYSA-N 428.989 5.150 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 30850474 QHMDSCSUJRDPRJ-UHFFFAOYSA-N 440.590 5.017 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)sc2c1 32119024 JXSDQHJVEQTJKL-UHFFFAOYSA-N 438.405 6.073 0 40 IKAB CC(=O)N1CCc2cc(NC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)ccc21 32410788 NBDCHFFJQOKMKQ-UHFFFAOYSA-N 430.291 5.118 0 40 IKAB COc1ccc(NC(=O)c2cccnc2Sc2ccccc2)cc1OCc1cccnc1 32832220 CCIWZOCAIYOODY-UHFFFAOYSA-N 443.528 5.468 0 40 IKAB Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3cccc(C)c3C)cc(=O)n2c1 33026459 OGBNWFGVQDDIKE-UHFFFAOYSA-N 444.560 5.556 0 40 IKAB CC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 35039678 IIPWUQMROFPFTC-NDENLUEZSA-N 439.945 6.208 0 40 IKAB COc1ccc(-c2nc3cccc(C)n3c2Nc2ccc(Br)cc2)cc1OC 35615958 CYCQSZFPSYQCEH-UHFFFAOYSA-N 438.325 5.833 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 44086971 LUCUEUUVWCEEEU-UHFFFAOYSA-N 437.927 6.063 0 40 IKAB Cc1cc(-c2cc(C(=O)N(Cc3ccccn3)C3CC3)c3cnn(C(C)C)c3n2)c(C)s1 48276723 TUFHBZZFVOAWPG-UHFFFAOYSA-N 445.592 5.557 0 40 IKAB Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4ccccc4F)cc3)cn2)c(C)c1 49422001 YUWCRBWPPPMPHW-UHFFFAOYSA-N 442.494 5.192 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)c1 57488080 WYUSACKROWQREO-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3cccc(C(F)(F)F)c3)oc12 67299076 OPTALTYUEHECJW-SLMZUGIISA-N 442.393 5.216 0 40 IKAB 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](OC)CC(=O)O3)[C@H]21 67665425 OLSYISKGDWQZSZ-DETUFGJMSA-N 432.601 5.240 0 40 IKAB in-vitro Clc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cccs4)CC3)C1)c1cccn1-2 72327236 VADDEGHRPPTJLJ-HSZRJFAPSA-N 425.985 5.268 0 40 IKAB BrC1=C(c2ccccc2)[C@H]2CCCC[C@H]2[C@]1(Br)c1ccccc1 104136148 BPNRCGIFCBGTDU-WAOWUJCRSA-N 432.199 6.903 0 40 IKAB Clc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)c1 106937254 DPXBDBBIJFLINC-RBBKRZOGSA-N 439.740 6.345 0 40 IKAB CCOc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(C)cc1 107975497 COPOMCNUQBOKJO-UHFFFAOYSA-N 438.907 5.666 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(-n4ccnc4C)cc3)cc2)cc1 216321457 RPRODLFGUXVQLA-UHFFFAOYSA-N 427.573 5.711 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 222625051 PYWWTWRKELMWPH-UAOJZALGSA-N 439.382 5.224 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 222841611 KBATUKIETVIYPJ-VQTJNVASSA-N 441.398 5.016 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222911609 QLEPOUJFUVZXFC-NHCUHLMSSA-N 445.419 5.808 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223115603 DUEKODSBPBRTFJ-DHIUTWEWSA-N 447.560 5.345 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 223374648 CBQJTVITEXIMMD-RPBOFIJWSA-N 439.588 5.057 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 223623745 MDVIIMKTUBSQNE-QFIPXVFZSA-N 445.003 5.003 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223819409 YCUACOKPSVAPTO-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223848588 SILCAQFWSFVNHM-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224065135 GBJZRPWVFGGOLK-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 224244881 MSPBPQUSZAOFNJ-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3C)c2)c1 224279273 KCNKDMTUNHTQJR-UHFFFAOYSA-N 435.520 5.469 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224286275 JBXPEBIESMLJFQ-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224324985 SNWNVKRORIGUAW-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)c1 224539669 UYOIORLTBQSCHO-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c(OC)c1 224799215 DUQIQSZUGPTIKZ-DNQXCXABSA-N 448.592 5.029 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224885271 BNKUPIATYIOAQD-XZOQPEGZSA-N 446.963 5.408 0 40 IKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C 224955516 BMWKUBVQKBHMBR-YADHBBJMSA-N 441.000 5.359 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 224965869 LHHZVZNJCDMQOJ-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224980230 IOAJHOVJFJMEAU-OAQYLSRUSA-N 438.637 5.078 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)/C(=C/c1cccs1)NC(=O)c1ccccc1 225152157 COIYSKFHPYHXQW-JWGURIENSA-N 438.508 6.057 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225165191 BEZHZQLZEOJFII-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225453457 NKGHXPKLOGYVEY-YADHBBJMSA-N 430.592 5.147 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2)cc1Cl 225511593 IGCHUYLSVSAMNO-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225555727 HHKMBFOLFWYDCI-JTSKRJEESA-N 432.967 5.052 0 40 IKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225557693 WKQTYRZCFTYFOZ-GOSISDBHSA-N 448.434 7.628 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)cc1Cl 225675549 UPIWNNGEOVAZOE-SFHVURJKSA-N 432.973 5.414 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225676767 FFKXHVRLUPREED-GFCCVEGCSA-N 431.332 5.083 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)c2ccccc12 225778311 UZLHSRFWRGQDNH-UHFFFAOYSA-N 437.967 6.215 0 40 IKAB CC1CCN(c2cc(Oc3ccccc3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)CC1 225960332 PTPUCMOYEQWCTD-LJQANCHMSA-N 447.608 5.553 0 40 IKAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 226769555 ZOOKBMGFXONASM-UHFFFAOYSA-N 426.241 5.612 0 40 IKAB CC(C)C[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 257213737 CIWSVYCDRUIRAN-YALMDMJRSA-N 442.983 6.414 0 40 IKAB CC(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257282691 OUVMWSQKYRUXQB-AVRDEDQJSA-N 434.411 5.647 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(OCc3ccccc3Cl)cc2)C(=O)O)n[nH]1 408630742 CHOKNENQNSVLHI-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl 408705587 JBILRXHZSZETDA-CQSZACIVSA-N 430.372 5.566 0 40 IKAB O=C(CSc1ccccc1)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 409112260 FOJIHRZTSYPSNL-UHFFFAOYSA-N 436.602 5.288 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl 409369894 HEVKXTASOOXWAD-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1Cl 681339 YPYRXPBAZOLUCT-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccc(OCC)cc1 717224 OMCLPIOIYXWROB-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371203 JYMSRPWCPQIAAQ-UHFFFAOYSA-N 446.938 5.428 0 40 IKAB COc1ccc([C@@H](OC(=O)c2ccc(OC)c(OC)c2)c2nccc3ccccc23)cc1 1448899 KJYBZIRQXKIDEU-RUZDIDTESA-N 429.472 5.207 0 40 IKAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)OCCN1c2ccccc2Sc2ccccc21 1637936 SMYBGEJBUGCEQY-UHFFFAOYSA-N 431.344 6.845 0 40 IKAB CCc1ccc(Oc2coc3cc(O[C@@H](C)C(=O)OC4CCCCC4)ccc3c2=O)cc1 1775145 PUVOEIPXOQGAIA-KRWDZBQOSA-N 436.504 5.791 0 40 IKAB CCCOC(=O)c1ccc(CSc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 1792223 BULVFJIUPICJRZ-UHFFFAOYSA-N 436.558 5.511 0 40 IKAB Cc1ccc(C)c(Oc2coc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)c1 1915083 JABGSEPDPCPOHK-UHFFFAOYSA-N 441.310 7.088 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C/c1cccc(OCc2ccccc2)c1 2070436 UMDVDQFKJMJIKN-FYJGNVAPSA-N 434.289 5.373 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccsc1)N(C(C)=O)c1ccccc1-2 2104618 JMETZEHGPNETLT-NRFANRHFSA-N 440.594 5.717 0 40 IKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 2108745 MBFGSOVOGFPPMA-RRMBJHDJSA-N 448.607 5.682 0 40 IKAB biogenic CN(CC(=O)Nc1ccc(OCc2ccccc2)cc1)Cc1ccc(Cl)cc1Cl 2650469 XQPUAFZKQYQYPQ-UHFFFAOYSA-N 429.347 5.643 0 40 IKAB CC(C)c1ccc(S(=O)(=O)c2cn(Cc3ccccc3)c3ccc(F)cc3c2=O)cc1 2693895 MAEBVSGTMBJWBM-UHFFFAOYSA-N 435.520 5.145 0 40 IKAB CC(C)(C)N(C=C(Cl)Cl)C(=O)NCCNC(=O)N(C=C(Cl)Cl)C(C)(C)C 3058824 OCINCXASXQENTN-UHFFFAOYSA-N 448.222 5.160 0 40 IKAB N=C(N[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccccc1 3142494 YGBZLIIMICLGLF-HNNXBMFYSA-N 439.557 5.035 0 40 IKAB O=C(c1ccccc1)[C@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 3270324 KKPCIKRRAOTZGB-KAYWLYCHSA-N 438.548 6.687 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccc(F)cc1 3293019 NWHNBZTWOCABOQ-UHFFFAOYSA-N 425.868 5.796 0 40 IKAB C/C(=N/NC(=O)c1ccncc1)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 4015054 HIMZXVKKQBAUQS-GNBRBBSUSA-N 435.612 5.127 0 40 IKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c12 4888832 QNXPHNFJXDRRAU-CQSZACIVSA-N 425.623 5.755 0 40 IKAB O=[S@]1c2ccccc2N=C(c2cccc3ccccc23)C[C@@H]1c1cccc2ccccc12 5722291 XEQHCUIOXUKJOJ-QLWXXVCSSA-N 431.560 7.366 0 40 IKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)c2ccc(Cl)cc2)cc1 6472302 ZQDZBEBYUVKNMY-NRFANRHFSA-N 438.877 5.682 0 40 IKAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 8310626 OTBQGSXPKGKIKH-NRFANRHFSA-N 425.532 5.334 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OCc3ccccc3)cc2)cc1 8779000 JRJBBXRIKUPJJC-PQHLKRTFSA-N 446.550 6.816 0 40 IKAB Cc1ccc(-c2csc(N(C(=O)CSc3nncn3C)c3cccc(C)c3)n2)cc1 8896975 IKHWAWPVJJDZNB-UHFFFAOYSA-N 435.578 5.012 0 40 IKAB COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(-c5cccc(C)c5)nc4c32)cc1 9329385 YQOGHPZQDNOPIP-QFIPXVFZSA-N 436.471 5.100 0 40 IKAB CCOCc1c(C(=O)N(Cc2cccs2)Cc2ccccc2OC)oc2ccccc12 9349394 PBXKDPHWLROGTR-UHFFFAOYSA-N 435.545 5.882 0 40 IKAB Clc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@@H]3c3ccccc3)cc2)cc1 9434758 HJJDNSLBXDINLG-MUUNZHRXSA-N 437.974 7.308 0 40 IKAB CN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 9445361 AWBYWGQZDIVINZ-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1 9660246 PDBOSNAMQMUGRI-UHFFFAOYSA-N 445.471 5.128 0 40 IKAB biogenic O=C(Nc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1)c1ccco1 9724436 DQPAHKLNWGNUEG-KRWDZBQOSA-N 431.517 5.161 0 40 IKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc4c(c3)OCCCO4)cc12 10024911 YQFCHOOSOCZIEZ-UHFFFAOYSA-N 437.496 5.007 0 40 IKAB CCCCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120340 CESHUUOHYCCCKX-UHFFFAOYSA-N 428.532 6.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(F)(F)F)cc2C)cc1 10362038 BXZLZVCUMMVWLF-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CCOC(=O)Cn1c(-c2ccc(CC)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 12413449 COFGOKLRQUTCIO-QLYXXIJNSA-N 434.483 5.593 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OCC(=O)Nc3ccc(C)cc3)cc12 12598861 DIFZYFLQPCPZAO-UHFFFAOYSA-N 442.515 5.442 0 40 IKAB Cc1ccc(-n2c(SCc3cn4cccc(C)c4n3)nnc2-c2ccccc2)cc1C 12659285 OOMNGXDXWHUMNV-UHFFFAOYSA-N 425.561 5.800 0 40 IKAB C[C@@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccccc1Sc1ccccc1 12762205 FCHQOTCGFGWSGY-CYBMUJFWSA-N 435.496 5.766 0 40 IKAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)N(Cc1ccco1)Cc1cccs1 13017973 MRNXQPGDPCEIRX-UHFFFAOYSA-N 430.529 5.365 0 40 IKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)c4c[nH]c5ccccc45)nnc3c2c1C 13499966 URIGKBYTXCGCSO-UHFFFAOYSA-N 435.578 5.536 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 13563253 PZZQAYBEEYXVLQ-UZLBHIALSA-N 433.371 5.339 0 40 IKAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1cccc2ccccc12 13565028 QGVVMBCTGLLJIN-UHFFFAOYSA-N 426.491 6.338 0 40 IKAB 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O=C(Nc1ccc2nc(NC(=O)c3ccco3)sc2c1)c1ccc(Br)cc1 8902663 GXEHGRPOJSHQFO-UHFFFAOYSA-N 442.294 5.156 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2cccc3ccccc23)oc1NCc1ccco1 8917190 OEXLBEZHJNBWAR-UHFFFAOYSA-N 440.436 5.515 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8920882 MTHVBNUESRSLER-QRQCRPRQSA-N 438.568 7.117 0 40 IKAB O=C(CSc1nc(-c2ccccc2)ns1)Nc1cc(C(F)(F)F)ccc1Cl 9404014 GRJNWWQJFXNEFI-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2coc3cc(C)ccc23)c1 9430935 VJVJAAUDPOVQMN-UHFFFAOYSA-N 438.483 6.229 0 40 IKAB CCOC(=O)c1sc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)cc1C 9434137 QLRDWRYFYNTNNV-UHFFFAOYSA-N 438.983 5.228 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NS(=O)(=O)c1ccccc1 10314794 HVKIECMOJXKRNS-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 12468616 YWACCDQEHSUETJ-ZDLGFXPLSA-N 426.299 6.074 0 40 IKAB O=C(Nc1ccc(SCc2cccnc2)cc1)C1C[C@@H]2CC[C@H](C1)C21SCCS1 12549309 ZMMWBGRXNLRKGR-YQQQUEKLSA-N 442.675 5.925 0 40 IKAB C[C@@H](N[C@H](C)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 12819984 GMTSBLUBYCPENM-IAGOWNOFSA-N 429.589 5.942 0 40 IKAB Cc1cc(C)c2c(n1)sc1c(NC(C)C)nc(SCc3ccc(Cl)cc3)nc12 12954167 WWLOTVVGJGKUGN-UHFFFAOYSA-N 429.014 6.622 0 40 IKAB Cc1c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)oc2ccc(Cl)cc12 13001785 WQHYYRHGVZFCDT-UHFFFAOYSA-N 447.944 5.397 0 40 IKAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc(Cl)c1OC(C)C 13074294 ZKRLCYCEACAOQZ-OAHLLOKOSA-N 444.984 5.765 0 40 IKAB O=C(c1cccc(Br)c1)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 13164235 NXBJIKUYGULSCQ-UHFFFAOYSA-N 435.774 5.732 0 40 IKAB COc1ccc(-c2cnoc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1OC 13591940 UPODSGBSDORUHI-UHFFFAOYSA-N 437.879 5.964 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13619132 YIFZUSZGDPQJGG-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 13842553 PGMONTRALWYHLA-UHFFFAOYSA-N 436.408 6.600 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccc(Br)cc1 14071271 HNSQWLCFGKNENX-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14399098 JQWZBVLAHTYETO-OAHLLOKOSA-N 440.436 6.108 0 40 IKAB Fc1ccc(OCc2nc(CSc3nc(/C=C/c4cccs4)n[nH]3)cs2)cc1 14809650 PNRVNFWKWMXFCD-BQYQJAHWSA-N 430.555 5.504 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@@H]2[C@@H]1c1ccco1 15905959 CJQKVTCNZNGYMR-YRJJDLLLSA-N 432.907 6.362 0 40 IKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl 16576210 IHGJLFLSBDDMRD-MBBDBFLNSA-N 440.027 6.622 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(CC)ccc4o3)c2)cc1 17096608 XZQWCJPKPSJWDZ-UHFFFAOYSA-N 429.545 5.746 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl 19637750 MZHROIHCJSTFES-UHFFFAOYSA-N 443.355 6.921 0 40 IKAB Cc1nc([C@]2(O)CCCN(C3CCCCC3)CC2)sc1CCOc1ccccc1F 19705421 SYWKJRLFUZNTHF-DEOSSOPVSA-N 432.605 5.218 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc(OCc2ccccc2)cc1 20145008 DHXDJOZSVMAJFM-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB COc1ccc(CCn2c(C)c3c(C)nn4cc(-c5ccccc5)cc4c3c2C)cc1OC 20445521 OJBCNCZRQAUTMT-UHFFFAOYSA-N 439.559 6.141 0 40 IKAB C[C@@H](Sc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20451796 OOGMMZNOCWGYQD-GOSISDBHSA-N 432.589 6.356 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1NC(=O)c1ccccc1 20630494 OWTPORFZTHNHCI-UHFFFAOYSA-N 427.273 5.401 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cncc(Br)c4)c3)oc2cc1C 21578713 ONTOQWQUGCTJCD-UHFFFAOYSA-N 436.309 5.830 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2s1 21595595 NDPVWSVDWNSCHJ-SDNWHVSQSA-N 431.517 5.947 0 40 IKAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(=O)c2cc(Cl)ccc21 22234898 NTHDHFIIFSSHBL-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB c1ccc(-c2csc3nc(CN4CCOCC4)nc(NC4CCCCCCC4)c23)cc1 25746933 OFNAWJPDMNTNEM-UHFFFAOYSA-N 436.625 5.715 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCc3cccc4ccccc34)s2)cc1 26779548 ZSNCPLBASXKLHU-UHFFFAOYSA-N 447.629 6.211 0 40 IKAB CCN(CC)[P@@]1(=Nc2cccc(C)c2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32690962 NQQKOQYSALBODT-WVQAKYLLSA-N 449.583 6.878 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3ccc(N(C)C)cc3C(F)(F)F)cc12 33176943 PZJFAUKDESACDT-UHFFFAOYSA-N 444.482 5.733 0 40 IKAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849403 SOYQMHHSBQYTGN-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB O=C(Nc1ccccc1)C1CCN(C(=O)/C(=C/c2ccccc2)c2ccc(Cl)cc2)CC1 39983318 XDXYCVMUDWDLLL-NCELDCMTSA-N 444.962 5.758 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)N1CCc2ccccc21 41076880 DQFXETXARLKDJB-UHFFFAOYSA-N 433.964 5.419 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(C(=O)Nc4ccccc4Br)ccc32)cc1 46078565 JWRMPBJFBGWZPV-UHFFFAOYSA-N 449.348 5.603 0 40 IKAB COc1ccc(O[C@H](C)C(=O)N(c2nc3ccccc3s2)c2ccc(C)cc2C)cc1 48355519 DHUWJFRJWSFGLX-GOSISDBHSA-N 432.545 6.054 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(OC)c1 49005004 AAEDMXXLZLODLM-GOSISDBHSA-N 434.540 5.104 0 40 IKAB N#C/C(=C\c1ccc(OC(=O)c2ccccc2Br)cc1)C(=O)c1ccccc1 59193969 KOTFTEHRWWPHIZ-NBVRZTHBSA-N 432.273 5.458 0 40 IKAB COc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 71327653 YUOZFTIWRCCDLZ-UHFFFAOYSA-N 442.993 5.655 0 40 IKAB CCOCc1ccc(C(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)cc1 72392013 OYFYKYVFPMRXBJ-UHFFFAOYSA-N 446.494 5.564 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C[C@H](CC(=O)O)c3cccs3)ccc1O2 96024592 HDZPMSQTRVGXCB-CQSZACIVSA-N 436.489 5.002 0 40 IKAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2F)CC1 100657894 MTBKBOGQJBDGSK-MAEOIBBWSA-N 438.568 5.162 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3[C@@H]3C[C@]32C1 118936341 WNFPVPRFYINGIO-DDQKCFFUSA-N 428.701 7.649 0 40 IKAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccc(C)cc2)C1=O 214632090 ZIMZRDMDMJVFNZ-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223045934 ALRXPMYIJYYFPE-GOSISDBHSA-N 433.017 5.074 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223720860 VJHZIUIXGZSORO-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224235778 XGILEFRMLPORPR-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)c1 224244643 YYPQHAXGAQOQOE-DNQXCXABSA-N 426.545 5.063 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224286323 JBXPEBIESMLJFQ-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 224528798 JPZZKJPOPFDBTA-AWNIVKPZSA-N 447.343 5.446 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 224702201 NSCWCRLTWQWTGE-NRFANRHFSA-N 435.395 5.116 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224776986 OULUBSBTGYRYNV-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(C(=O)NCCCc2cccc3ccccc23)c(I)c1 225030852 UUFSYMBGOJUOHS-UHFFFAOYSA-N 429.301 5.115 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225092219 WGJCJTOADMOBKT-DLBZAZTESA-N 435.395 5.176 0 40 IKAB Cc1cccc(CSCCNC(=S)Nc2ccc(Br)c(Cl)c2)c1 225337969 ZFTUCGDMSQTXCT-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225780130 PNTXNYMFECVQST-LJQANCHMSA-N 434.967 5.490 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408575489 ONTBKJHBABAPDG-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408682548 YZBDGJBVTUOGEG-SFHVURJKSA-N 432.800 5.854 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C1=O 408919373 WZQOOGNSKUDFHM-YCIYHOANSA-N 434.322 5.396 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)c(Cl)c4)cc3)C(=O)O2)c1 408984332 IUBRJLLCCBMNCG-XKZIYDEJSA-N 438.310 6.225 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 409031372 AVQJSVIFEURCCZ-IWIPYMOSSA-N 441.531 5.433 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)oc(-c2ccccc2)c1-c1ccccc1 409115387 MHTIIJKBIZMSCG-UHFFFAOYSA-N 445.902 6.696 0 40 IKAB CCCc1sc2nc(SCCc3ccccc3)n(-c3cccc(C)c3)c(=O)c2c1C 409116017 KXIRSMHFPFIZEY-UHFFFAOYSA-N 434.630 6.351 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 409175960 FZYRTZUGNITVBJ-UHFFFAOYSA-N 442.298 5.594 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1 409176464 ODZCACQMMFXMKE-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB Clc1ccc(NCc2ccccc2OCc2ccc(Br)cc2)cc1Cl 409206997 YEDUKKGTVKLTPV-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3cccc(C)c3C)cc2Cl)c1 409265165 QYYYPCOXXTYABC-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1cc2oc(C(=O)Nc3nnc(-c4ccc(Cl)cc4F)s3)c(C)c2cc1Cl 526052259 LMJUYKVOEYUAHQ-UHFFFAOYSA-N 436.295 6.266 0 40 IKAB Cc1cccc(CC(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)c1 643575688 HYKIZDZGCVVWDZ-UHFFFAOYSA-N 430.548 5.706 0 40 IKAB COc1c([C@@H]2COc3c4c(cc(O)c3C2=O)OC(C)(C)C=C4)ccc(O)c1CC=C(C)C 1534685656 JKKCZJZRXNPNRF-SFHVURJKSA-N 436.504 5.158 0 40 IKAB CC(C)CSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 661113 RTLRYUBXFYAZPB-UHFFFAOYSA-N 439.631 6.607 0 40 IKAB COc1ccc([C@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c(OC)c1OC 681747 JTZLURJVUBGJAE-OAHLLOKOSA-N 442.309 5.102 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)n2C)c1 686720 JDZZIYOWAGGNPN-UHFFFAOYSA-N 444.585 5.712 0 40 IKAB Cc1cc(OCc2nc3c4c5c(sc4ncn3n2)CCCCC5)c(C(C)C)cc1Cl 1763237 JYQPXZFJKHFCAY-UHFFFAOYSA-N 441.000 6.272 0 40 IKAB Cc1cc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc(C)c1Cl 1775152 GOSLYTOMZZRRSB-UHFFFAOYSA-N 441.310 7.088 0 40 IKAB CCC(=O)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)c(C(F)(F)F)oc2c1C 1791999 RMEYALBPZFZRJC-UHFFFAOYSA-N 433.407 5.712 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1OC 1904360 ROBUIWNVLCYIFO-AWNIVKPZSA-N 430.529 5.941 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CCC1CCCCC1 2063143 XYUWNYSMNORFCH-UHFFFAOYSA-N 447.691 7.547 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 2138485 YSUZRQSURCAPDP-UHFFFAOYSA-N 434.927 5.814 0 40 IKAB O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1c[nH]c2ccccc12 2145517 DOCWRDCHTGLTCR-DEOSSOPVSA-N 447.538 5.256 0 40 IKAB biogenic Nc1c(C(=O)Nc2ccccc2)c2nc3ccccc3nc2n1-c1cc(Cl)cc(Cl)c1 2234290 UHPPBVFSAWYDCF-UHFFFAOYSA-N 448.313 5.715 0 40 IKAB O=C1[C@H]2C(c3ccccc3)(c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 2312704 AEVLUTIKJJHCAL-ABYGYWHVSA-N 449.937 5.767 0 40 IKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714564 DYPYHNXMWKFAAE-UHFFFAOYSA-N 449.396 6.476 0 40 IKAB Cc1cccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)c1C 2956235 JJCFHLGQFHNYBC-UHFFFAOYSA-N 427.323 6.039 0 40 IKAB C[C@H]1CCc2c(sc3nc(CSc4ccc(Br)cc4)nc(Cl)c23)C1 3886949 YWSZVLSMCGALIJ-JTQLQIEISA-N 439.831 6.524 0 40 IKAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1 4784317 JCMHWJZABAYRTG-NDEPHWFRSA-N 427.544 5.250 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4784377 CTVRCVAIAQHOEX-NDEPHWFRSA-N 427.544 5.434 0 40 IKAB O=C(CCc1nc2ccccc2s1)OCC(=O)N(C1CCCCC1)C1CCCCC1 5838444 PQESESOSAZVMKI-UHFFFAOYSA-N 428.598 5.266 0 40 IKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCCC5)-c2cc(F)ccc2S(=O)(=O)C3)cc1 5988972 AOSNFHWMSHEZNB-UHFFFAOYSA-N 449.572 6.244 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\NNc3c(C)cc(C)cc3C)c3ccccc3C2=O)c(C)c1 6620093 XTAKTGJGUUPKIC-HAHDFKILSA-N 425.532 5.373 0 40 IKAB Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@@H](C)C[C@@H]2[C@H]1c1cccs1 8455582 VEDPLASXZAZMKR-MEPUUNFYSA-N 439.631 6.257 0 40 IKAB COc1ccccc1NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 8455731 AJKOVKVSIDIMNH-NFFVHWSESA-N 438.405 5.945 0 40 IKAB CCc1cccc2c(C3=Nn4c(nnc4[C@@H]4CCCO4)S[C@@H]3c3ccccc3)c[nH]c12 8745057 MTIWRZGFHIXNLW-SIKLNZKXSA-N 429.549 5.273 0 40 IKAB CN1CCC2(CC1)C[C@@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 8900765 BZMLFEOEKVJLET-HXUWFJFHSA-N 436.552 5.272 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S[C@@H]2c2ccc(Cl)cc2)cc1 8917147 OCDZLSBLUPBNMY-OGRZUZBBSA-N 448.031 7.766 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9008684 JKTNYDSHFOEPRS-BDYUSTAISA-N 428.532 6.116 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9120348 QSNSILSFFHLKLG-QGZVFWFLSA-N 432.524 5.043 0 40 IKAB O=C(COc1ncnc2ccc(Br)cc12)Nc1ccccc1Cc1ccccc1 9127479 QFTUQTOVLATNEB-UHFFFAOYSA-N 448.320 5.001 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(C[C@H]2CCCO2)c1C 9130229 SHKPPZKHFLFZEG-QGZVFWFLSA-N 432.499 5.219 0 40 IKAB COc1ccc(Oc2c(-c3ccc(OCc4cccc(OC)c4)cc3O)n[nH]c2C)cc1 9130676 NALOPHYMDLHYRI-UHFFFAOYSA-N 432.476 5.479 0 40 IKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@H]1c1ccc(I)o1 9160327 ALLYBEGGRVFPSC-FQEVSTJZSA-N 441.272 5.288 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc(C4CCCCC4)cc3)CC2)cc1 9203419 IFDRIGIMCFKSNV-UHFFFAOYSA-N 440.609 5.082 0 40 IKAB O=C(O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccccn1 9223885 UIOMUJSLWDMPMS-SFHVURJKSA-N 434.801 5.291 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)C2(c4ccc(Cl)cc4)CCCC2)CSC3)cc1 9391575 JVTPUNVXECWYHU-UHFFFAOYSA-N 437.996 6.031 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4cccc(Cl)c4)c(=O)c23)s1 9466104 MUXKMALRWRXFOE-ZDUSSCGKSA-N 443.981 5.026 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)Nc1ccc2c(c1)OC1(CCCCC1)O2 9645271 XVDCGPVKJAZMQQ-UHFFFAOYSA-N 441.484 5.038 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 9793714 NQARRYIQOVQPND-UHFFFAOYSA-N 428.583 5.820 0 40 IKAB O=C(Nc1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(F)cc1 9968504 VFXSQHCHKHAECA-NRFANRHFSA-N 438.300 5.971 0 40 IKAB O=C(NCC(=O)N1CCC[C@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 10225353 XLNJHVMNMUFBDW-QFIPXVFZSA-N 441.556 5.057 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CN1CCC(C)CC1 12112445 CRLBABUFIPRPBL-UHFFFAOYSA-N 442.625 5.560 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(Cl)c3)nc3ccccc32)cc1 12311456 ZHPOJFRYQBZKDM-UHFFFAOYSA-N 425.916 5.857 0 40 IKAB C[C@H](Oc1ccc2oc3ccccc3c2c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 12531646 RLHWXMVLBQTVLW-NRFANRHFSA-N 435.523 6.582 0 40 IKAB CSc1ccc(CN(C)Cc2nc3sc(C)c(-c4ccc(C)cc4)c3c(=O)[nH]2)cc1 12866338 ACSOTYVFMABZCW-UHFFFAOYSA-N 435.618 5.622 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3N3CCCC3)c2n1 13017870 JLZATQSCKRXDTC-UHFFFAOYSA-N 430.335 5.468 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687517 CEPOTWMJEODFTL-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 14272773 CZAGKJWWOGGBTA-UHFFFAOYSA-N 442.563 6.284 0 40 IKAB Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1Sc1ccc(Cl)cc1 16249280 HBEIHISYHXXUIL-UHFFFAOYSA-N 440.793 7.777 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S 16777959 SSWLEMPGMKJLGV-UHFFFAOYSA-N 429.977 5.175 0 40 IKAB CC(C)c1ccc2oc(-c3cc(NC(=O)c4cccnc4Cl)ccc3Cl)nc2c1 17094729 QNUBIMQJCNHZRG-UHFFFAOYSA-N 426.303 6.572 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 17096371 KAGBLOQYRKWJGZ-HNNXBMFYSA-N 429.347 6.885 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 17098673 PEAPUGOFZDZEQC-INIZCTEOSA-N 433.939 6.414 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccsc2)nc1C 18056532 HYOUINGWGLNLCI-UHFFFAOYSA-N 433.986 5.243 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)Cc1ccc(Br)s1 18939617 OBNIYFIGYKKYCD-HNNXBMFYSA-N 429.383 5.637 0 40 IKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3cccs3)CC[C@H]21 19347732 RPPXJNVAYMNVMY-KCZVDYSFSA-N 426.582 5.079 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2ccccc2OC)c1 20352954 MMYBYKDFHMNDJT-RUZDIDTESA-N 432.520 5.259 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)C)cc3)sc2c1 20411521 YPGHDVZKLGZZDU-UHFFFAOYSA-N 426.538 5.394 0 40 IKAB CCc1ccc2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20412495 CDLNSIKQHKREPV-UHFFFAOYSA-N 438.571 5.263 0 40 IKAB biogenic O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 21805307 VBBYAWBVVXSQEZ-QFIPXVFZSA-N 435.593 5.239 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccccc1I)c1ccccc1 22513256 LLLDVVHJVBLRNK-FQEVSTJZSA-N 427.285 5.119 0 40 IKAB COc1ccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)cc1 28528005 PLEYXRDGOJDEPH-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB CSc1cccc(NC(=O)[C@@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32105980 PEQHNPMELGIMSD-KRWDZBQOSA-N 426.929 5.405 0 40 IKAB Cc1cc(C(=O)Nc2ccc3oc(-c4ccccc4Br)nc3c2)ccc1Cl 32109679 WKNTWWYTOMBAQG-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)c1 32624645 BIZVWFNVFLTICK-UHFFFAOYSA-N 433.489 5.225 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cn1cc(C(=O)COc2ccccc2)c2ccccc21 33795119 MNJYDFOTXKSQAD-UHFFFAOYSA-N 432.907 5.504 0 40 IKAB Cc1cc(C)cc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 35533874 MFTCSXPMKBGJJT-UHFFFAOYSA-N 434.971 5.894 0 40 IKAB O=C1C(O)=C(c2ccccc2)[C@H](c2cccc(Br)c2)N1CCc1ccccc1 40485599 MAEXSZMADDJJRE-QFIPXVFZSA-N 434.333 5.544 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 44843037 SRFWWNQJZSBBTG-GBXCKJPGSA-N 430.548 5.591 0 40 IKAB CCCc1nc([C@@H](NC(=O)c2ccc(C3SCCS3)cc2)c2ccccc2)no1 78823504 HLGSNLRHLQJALD-IBGZPJMESA-N 425.579 5.020 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C34C[C@H]5C[C@@H](CC(c6ccccc6)(C5)C3)C4)cc2)cc1 100490168 PJZINXFVGMETRK-PSTSRGLJSA-N 437.583 6.737 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cs/c2=N/C(=O)c2ccccc2Br)cc1 100752603 WVXMYOVDRLVGFN-WJTDDFOZSA-N 449.373 6.018 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2cc(F)cc(F)c2)C[C@H](c2ccco2)C1 102702090 QMJPXRTYIUZVBT-HUTHGQBESA-N 436.340 5.233 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709187 SBXXZWYDZDXGMP-TWJOJJKGSA-N 434.495 5.199 0 40 IKAB CCOC1=CC(=O)O[C@@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](OC(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)C1 118936515 KBYQUXJAZCAIJT-JSMPPCJXSA-N 444.612 5.567 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214771723 SPSUKCMXVSGYJG-RQZCQDPDSA-N 442.751 6.282 0 40 IKAB CC[C@@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)cc1C 219163745 NBPVDXHTJJQWRF-HSZRJFAPSA-N 448.588 5.055 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223225451 LMNBPYGDVUFIJN-OAQYLSRUSA-N 447.044 5.463 0 40 IKAB CCC[C@H](C)Nc1ccc(C(=O)OC(C)C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 223425674 XZPYGGIDLVHMJH-HNNXBMFYSA-N 438.977 5.307 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCOCC2)cc1 223923055 IBFMIMGGYXRKBM-UHFFFAOYSA-N 437.923 5.828 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223957732 OZUPJPKUISGBLE-QGZVFWFLSA-N 449.422 5.603 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224003373 FRSFLGJKITWMDG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cccc(Cl)c1 224146252 RZHVWPVCMAUQGM-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(C)cc1 224467587 ZDARWMMMQYXWNX-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3F)cc2)cc1 224526574 OEJWRZJCLUAQNX-UHFFFAOYSA-N 426.513 5.176 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224630722 NINVJMKSFRVQCG-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc2ccccc2c1 224638919 ISKHNLHJYXNWRX-UHFFFAOYSA-N 441.527 5.756 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224847829 UMACERNZQCHYPP-VWLOTQADSA-N 448.994 5.047 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccccc1C(F)(F)F 224886485 SPUVVIOKSLPROP-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225856550 FILWWZKOWXLZRU-UHFFFAOYSA-N 431.001 5.667 0 40 IKAB CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4)c3)nc2c1 226308375 AVIAIQYLLXMTFA-UHFFFAOYSA-N 426.309 5.856 0 40 IKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(Cl)c3c(c2)OCCCO3)C1 257237873 HIOYGMYTQLRISD-IMSXRSKXSA-N 447.934 5.518 0 40 IKAB O=C(CN1CCC[C@@H]1Cc1c(C(=O)O)sc2ccccc12)Nc1cccc2ccccc12 257321199 WAOSIKXTRICSMO-GOSISDBHSA-N 444.556 5.398 0 40 IKAB Cc1ccc(COc2ccc([C@H]3SCC(=O)N3c3ccc(Cl)cc3)cc2Cl)cc1 408558788 VTCSSUSDMYTBHA-HSZRJFAPSA-N 444.383 6.659 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C(C)C 408678079 FCZIMVFEXVXVHO-UHFFFAOYSA-N 431.941 6.065 0 40 IKAB COc1ccccc1N1CCN(C(=O)/C(=C/c2ccccc2Cl)c2ccccc2)CC1 408906510 CDLFKIKQTJCYDC-ZBJSNUHESA-N 432.951 5.238 0 40 IKAB Cc1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)c(C)c1 408986290 OXYYPVIKEUTFJZ-RTBURBONSA-N 436.602 5.885 0 40 IKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(COc3ccccc3C(C)C)n2)c1 585264936 BYIJHPYUTFIKLP-UHFFFAOYSA-N 435.520 5.945 0 40 IKAB CCc1ccccc1NC(=O)c1cnn2c(C(F)(F)F)cc(-c3cccc(OC)c3)nc12 650778 AFXGXFTXZNYGBU-UHFFFAOYSA-N 440.425 5.238 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccccc2)cc1 664008 PLAIPWCUBNOPNL-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 1224676 FYPRREHFYYDQSY-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB CCN(CC)CCC[C@H](C)NC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1591941 GWWCVFIERSZNLX-AFMDSPMNSA-N 440.031 5.689 0 40 IKAB Cc1ccc(Cl)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1831963 HZFLSBWFQYWLMS-UHFFFAOYSA-N 425.315 5.758 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c(OC)c1 2079779 WCVHWNFYNKPUNS-UHFFFAOYSA-N 446.934 6.442 0 40 IKAB CC(C)c1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccco3)sc2c1 2217371 LVJVLZMHRDCAAJ-NRFANRHFSA-N 442.496 5.869 0 40 IKAB CCCCc1nc2sc3c(SCc4ccc(Cl)cc4)ncnc3c2c2c1CCC2 2226744 DCXAYTKPYISOPA-UHFFFAOYSA-N 440.037 7.017 0 40 IKAB Cc1ccc(-c2onc3ccc(Sc4ccc5noc(-c6ccc(C)cc6)c5c4)cc23)cc1 2319142 WYVYUIICJOTFIQ-UHFFFAOYSA-N 448.547 8.071 0 40 IKAB CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 2420807 KMISENMAXABCTF-UHFFFAOYSA-N 432.951 6.666 0 40 IKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c1C 2644963 GLJVMARBTFUYFM-UHFFFAOYSA-N 449.555 5.272 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@H]3C(F)(F)F)cc1Cl 3012891 SJWWGBKWTLRJPC-CJNGLKHVSA-N 440.809 5.051 0 40 IKAB CCS(=O)(=O)c1ccc2oc(SCc3cc(Cl)ccc3OC(F)F)nc2c1 3248612 ZQDZHWGRTSBZLG-UHFFFAOYSA-N 433.885 5.169 0 40 IKAB CC(=O)O/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4474195 LQJAXDXIQDWPOB-LEOSBSGPSA-N 425.613 6.244 0 40 IKAB COC(=O)c1c(C)cc(OC)c(C/C=C(/C)CCCc2coc(C=C(C)C)c2)c1OC 6484315 JFBRWQVSNGZWSC-WQRHYEAKSA-N 426.553 6.327 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCCN(CC)CC)ncnc32)cc1 6869540 WGWSHHKOIGRJCV-UHFFFAOYSA-N 429.568 5.240 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1OC 6878255 HAMOHDSTMWTWKX-UHFFFAOYSA-N 444.560 5.431 0 40 IKAB CCCCOc1ccc(-c2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1 8739682 RCZMECDXQMBQPO-UHFFFAOYSA-N 437.352 6.335 0 40 IKAB COC(=O)C1=C(C)N(c2ccc(C)cc2)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 8916758 RSALUIKCVXSWSM-UHFFFAOYSA-N 425.912 5.146 0 40 IKAB O=C(c1cn(Cc2ccccc2)nc1-c1cccnc1)N1CCC(Cc2ccccc2)CC1 8965592 KIHASBHEQHVPIS-UHFFFAOYSA-N 436.559 5.088 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc2cccc(OC)c2o1 9260655 UWVCLUHOQHYFOH-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(C)cc2)cc1OC 9327748 BZJZATGPTXVODQ-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3cccc(C(F)(F)F)c3)c(=O)c3ccccc3n2C)cc1 9327908 HCEWQCZGIWMIEL-UHFFFAOYSA-N 436.433 5.785 0 40 IKAB Fc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9499571 PFFNAZSUHQSING-RUZDIDTESA-N 427.523 5.362 0 40 IKAB Cc1cc(C(=O)CSc2nnc3n2CCCCC3)c(C)n1Cc1ccccc1Cl 9672015 IIHIFDOTHHWIKB-UHFFFAOYSA-N 428.989 5.100 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1Cl 9683948 NYGAEKPSHZKGPI-ZDUSSCGKSA-N 448.951 5.955 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)cc2Cl)nc2c(oc3ccccc32)c1=O 9751740 PHKCNIFIWKSCRQ-UHFFFAOYSA-N 441.940 5.245 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2cc(C)c(Cl)c(C)c2)N2CCCCCC2)cc1 11916628 PZRZICGHCBXCAB-QHCPKHFHSA-N 445.003 5.078 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(C)c(C)c4)c3n2)cc1OC 12393149 MPGDQWSZNSQNQS-UHFFFAOYSA-N 441.453 6.049 0 40 IKAB CCCN(C(=O)COC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)C1=CCCCC1 12636719 SNDXAIZXIHVJBZ-UHFFFAOYSA-N 437.565 5.249 0 40 IKAB Cc1cc(C)c2nc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 12650967 NDYBSVGBHIRAEE-HOTGVXAUSA-N 447.431 6.825 0 40 IKAB CCCN(CC(=O)N1c2ccccc2CCc2ccccc21)Cc1nnc(-c2ccco2)o1 12762228 YOCQARNMQAGAHK-UHFFFAOYSA-N 442.519 5.005 0 40 IKAB CCc1c(C)sc2nc(-c3ccccc3)nc(SCC(=O)Nc3cccc(OC)c3)c12 12881803 MODVMYPWKRKNGX-UHFFFAOYSA-N 449.601 5.969 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)Cc1ncc(-c2ccc(F)cc2)o1 12926828 GYWNUELDWBYQRG-UHFFFAOYSA-N 441.812 5.223 0 40 IKAB COc1ccccc1-[n+]1c(C)cc(/C=C2\Sc3ccc4ccccc4c3N2C)cc1C 13051266 UBDIMWQLWXAINT-UHFFFAOYSA-N 425.577 6.282 0 40 IKAB COc1ccc([C@H]2[C@@H](C(=O)Nc3ccccc3)CCC(=O)N2c2ccc(C)cc2)cc1OC 13070241 FOPPEBIIIMFZNG-NVQXNPDNSA-N 444.531 5.135 0 40 IKAB COc1ccc(-c2nn(CN3CCc4ccccc4C3)c(=S)n2C2CCCCC2)cc1 13074064 UALXIPWCRBQMPW-UHFFFAOYSA-N 434.609 5.611 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C 13117040 VWTMWLUOQHMKPX-MRXNPFEDSA-N 432.549 5.020 0 40 IKAB Cc1cccc2c(SCC(=O)Nc3ccccc3Cl)nc(-c3ccc(F)cc3)nc12 13388729 UMIJAOYDSFUOFO-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB Cc1cc2c(cc(C(=O)O[C@H](C(=O)NC3CCCCC3)c3ccccc3F)n2C)s1 13561562 TYOLJONMTPHJGR-NRFANRHFSA-N 428.529 5.034 0 40 IKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1ccc(F)cc1F 13566460 HMWBXMAGKWNKDD-UHFFFAOYSA-N 431.514 5.582 0 40 IKAB Cc1ccc(Cn2cc(-c3ccccc3)nc2SCC(=O)Nc2ccc(Cl)cc2)cc1 13568328 ZLKXHEBNWHGPGC-UHFFFAOYSA-N 447.991 6.291 0 40 IKAB COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1Cl 13623793 RNGGXKNIYBUWIT-LRDDRELGSA-N 440.809 5.051 0 40 IKAB CCOc1cc(OCC)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c1 13856279 CPEJBYHCPHZXLI-UHFFFAOYSA-N 446.878 5.283 0 40 IKAB Cc1[nH]c(SCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)nc1Cc1ccccc1 16098477 JHKSFGLEGRSDNU-ZDUSSCGKSA-N 436.606 5.024 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccccc2Cl)cc1 16309779 XLVSIBLCDZDCEE-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1 16692043 IYTITFZYNIEJCW-UHFFFAOYSA-N 435.480 5.159 0 40 IKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc12 16837869 ZELMKUSTZCXOAO-UHFFFAOYSA-N 445.946 7.175 0 40 IKAB biogenic CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 17095875 IFSAKYPAUVAYGI-UHFFFAOYSA-N 428.513 5.149 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17100111 MBBZIMMRPDRRPG-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB COc1ccc(C2N(Cc3ccc(Cl)cc3)CCN2Cc2ccc(Cl)cc2)cc1 19319447 OEECGNGFPFSXNO-UHFFFAOYSA-N 427.375 6.019 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 19926639 GIDZAFFYDVGKOJ-NRFANRHFSA-N 431.517 5.212 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 20382426 ILWPNNFIGSHJMI-UHFFFAOYSA-N 432.545 5.305 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)c3)oc2c1 21595644 WMRUVNWZUROOTG-UHFFFAOYSA-N 442.559 6.897 0 40 IKAB Cc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)oc2c1ccc1ccccc12 21600954 SRUJNDCXNMMMKZ-NRFANRHFSA-N 429.907 5.801 0 40 IKAB CCOc1ccc(-n2c(SCc3cc(=O)oc4cc(C)ccc34)nc3ccccc32)cc1 25396917 QEVDOQGHCJBTJV-UHFFFAOYSA-N 442.540 6.131 0 40 IKAB Cc1ccc(SCc2nnc(SCC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 28284648 CDCUQTHPCAVYSZ-UHFFFAOYSA-N 438.405 5.698 0 40 IKAB COc1ccc2[nH]c(SCc3ccc(C(=O)Nc4ccc(C)c(Cl)c4)cc3)nc2c1 32117948 IHETXIIRPNUOAO-UHFFFAOYSA-N 437.952 6.078 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)C[C@@H]1c1cccnc1 32925250 ICJUTDOYCGYHSY-XMMPIXPASA-N 440.934 5.956 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)/C=C/c2cc(Br)ccc2OC)c1 34930074 FITRIYPJIKMYLK-FMIVXFBMSA-N 431.330 5.238 0 40 IKAB CC(C)c1ccc2c(c1)[C@@]1(C)CCC[C@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 35350647 VFXUNXVHKCKVQJ-JIMJEQGWSA-N 443.628 5.938 0 40 IKAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 39330105 JXYVVXLWNAFNTI-GDLZYMKVSA-N 448.566 5.316 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)N(C)Cc3ccc(Br)s3)c(C)c12 39553807 LDDSZQVLAKOYEC-UHFFFAOYSA-N 436.400 5.282 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2SC2CCCC2)c(C)c1 48332183 QGUCVLUJDQTANT-UHFFFAOYSA-N 425.598 5.749 0 40 IKAB C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@@H]1c1ccccc1 61967351 LBMQWGLSKLHDSA-ZWZQZIPJSA-N 445.606 7.163 0 40 IKAB C[C@H](C(=O)Nc1ccc(Br)cc1Cl)c1cccc(C(=O)c2ccccc2)c1 98073336 UITCCBVTOLKNGW-AWEZNQCLSA-N 442.740 6.076 0 40 IKAB Cc1ccccc1NC(=O)N(CC(=O)O[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 100726673 QUYGJBLLXRIPDR-BORKOYIJSA-N 426.601 5.920 0 40 IKAB CC(=O)Nc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 101500593 LVUAMUMQPLNJMS-GAJHUEQPSA-N 429.476 5.255 0 40 IKAB COc1ccc(OC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C(C)(C)C)c1 102231399 UWZLGSBVZXDLFQ-SNTCSEMISA-N 435.402 6.022 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3cn(Cc4ccccc4)c4ccccc34)C2=O)c1 106709147 WDQIFJDTNSZFID-MYYYXRDXSA-N 438.552 6.235 0 40 IKAB COC(=O)CC[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@@]21C 123294063 YWMXOBLUILSCFX-GQLJJMEESA-N 446.628 5.345 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 209940791 DANVKGKAPIZZNV-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1 216034772 KMFKSGIDWUFKRZ-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C 223359112 DCZLFYHSODIXOI-DNQXCXABSA-N 428.561 5.255 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 223730009 TZGJOIABHSBGSF-FQEVSTJZSA-N 429.004 5.045 0 40 IKAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2)c1 224075136 YPTHJPUBHULAGR-UHFFFAOYSA-N 436.577 5.057 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1Cl 224119932 ZXNIFXQVHYQOLD-UHFFFAOYSA-N 434.967 5.016 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(Cl)cc3)c2)c(OC)c1 224350180 TTXBLMLUWNFGDN-UHFFFAOYSA-N 443.952 5.910 0 40 IKAB CCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224628530 XQANKNLBJQGEJL-QFIPXVFZSA-N 447.044 5.198 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)cc1 224658133 ZHCBVEXPXJGFTB-DNQXCXABSA-N 443.597 6.421 0 40 IKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1ccc(Cl)c(Cl)c1 225341090 XEWDIHVKTZOOTG-UHFFFAOYSA-N 446.378 5.932 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 225357886 LNKVATVCFIAZOX-RPBOFIJWSA-N 446.620 5.963 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3)CCOCC2)cc1Cl 225562720 PMVXGQGTVXHFTB-UHFFFAOYSA-N 431.960 5.221 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)cc1F)CC(C)(C)O2 225683092 QAKBVBONOUATKC-INIZCTEOSA-N 439.350 5.186 0 40 IKAB CC(C)Oc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cn1 225936214 AESJDOXHGNEFHY-UHFFFAOYSA-N 436.555 6.036 0 40 IKAB S=C(NCCCc1ccccc1)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1 225964968 QIHWLACNYMTJGV-UHFFFAOYSA-N 447.608 5.178 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCc1cccnc1-c1cccnc1 238884795 PVHDQAHSKWQRQV-UHFFFAOYSA-N 427.479 5.324 0 40 IKAB CO[C@@H](C[C@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)O 248182333 ZKFBRKHIPWOLIH-VOJFVSQTSA-N 445.726 5.269 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1)C1=CC[C@H]([C@H](C)/C=C\[C@H](C)C(C)C)[C@@]1(C)CC3 254350685 QZSOQOOFGQQOKW-NYJUWWRJSA-N 438.696 8.046 0 40 IKAB COc1ccc(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)cc1OC 257295993 RATRQUWGMUXJJJ-OAQYLSRUSA-N 445.563 5.018 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257309083 TZLRRBBXTJAJCS-QGZVFWFLSA-N 430.961 5.093 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1NC(=O)c1ccc(Cl)cc1 408551038 JCXJUOKHRREKPD-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408563454 MXFJKRGYBMZLEC-SANMLTNESA-N 446.572 5.500 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)c1 408572784 IHACGSZEPPIRBA-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1C 408640862 KARISZSTXVQOBS-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3C)cc2)cc1 408905912 AVBMTSYTJINPSL-UHFFFAOYSA-N 440.590 5.143 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409112050 AQIWFEKQJWCCDO-UHFFFAOYSA-N 445.968 5.735 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1cc(F)ccc1C 409175881 WJLPWIMMWQTOTC-UHFFFAOYSA-N 442.560 5.179 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccc(Cl)c1 409204028 BUOKNYISHRWPNY-RWEWTDSWSA-N 439.367 6.469 0 40 IKAB Cc1sc(NC(=O)CCC(=O)c2ccccc2)nc1-c1ccc(Br)cc1 409206565 PLUSWKWVDWVWKB-UHFFFAOYSA-N 429.339 5.483 0 40 IKAB CCc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 409357409 HYDXPEUHBRWJOX-UHFFFAOYSA-N 436.577 5.238 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c2ccccc12 409359823 YIKBMDRFPBMWBA-LPYMAVHISA-N 446.528 5.140 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)c(C)c1 409373348 HLSBWYUWQWRQHI-NDENLUEZSA-N 438.549 5.074 0 40 IKAB Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@H]1CCCc2c1cnn2C 542392624 RDGHRNLLGKPKQG-SFHVURJKSA-N 435.528 5.343 0 40 IKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(Cc3ccccc3)n2)c1 585264752 LECUYRJOIYHBHA-UHFFFAOYSA-N 432.907 5.691 0 40 IKAB CCCn1ccc(C(=O)N2Cc3ccccc3NCc3ccccc3OC[C@@H]2CC(C)C)n1 643582269 ZBBPIVJEKDBMGE-QHCPKHFHSA-N 446.595 5.355 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccc(F)cc1)CO2 1615526417 RDSHFAGDPAVMTA-VWLOTQADSA-N 445.534 5.187 0 40 IKAB CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 823212 VOOLDIGNBZELOQ-DNVCBOLYSA-N 439.364 5.595 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@]2(Sc3ccccc3)S[C@H]2C(=O)c2ccccc2)cc1 1570685 NKNCSWBBCULUOZ-VXKWHMMOSA-N 426.584 5.213 0 40 IKAB Cc1ccc(Br)cc1SCC(=O)NC(c1ccccc1)c1ccccc1 1810830 FWALLJZLUUAOAV-UHFFFAOYSA-N 426.379 5.755 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CCC(=O)OCC(=O)c1ccc(Cl)c(Cl)c1 1851298 UZVNNNXRGCHWMW-UHFFFAOYSA-N 428.699 5.100 0 40 IKAB CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(NC4CCCCC4)c23)CO1 2370977 MDLDERFRGHXIJU-UHFFFAOYSA-N 439.650 6.580 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1 2443124 JSEWSJSLZZXVBS-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB C[C@@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1ncc(Cl)cc1Cl 2652910 CMYKFGGTRFTKJP-SECBINFHSA-N 439.393 5.391 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 2715783 GFFAGZQJATXOKT-UHFFFAOYSA-N 449.503 5.009 0 40 IKAB CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(OC)cc2)c1-c1cccc(OC)c1 2733509 RIQPZCMPVYTYAJ-UHFFFAOYSA-N 428.532 5.854 0 40 IKAB CC[C@H](C(=O)OCC(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1)c1ccccc1 3239427 NQROHNPBFYQAFQ-NRFANRHFSA-N 444.556 5.947 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)cc1C 3260772 GLEZCEHBZHRIAP-UHFFFAOYSA-N 440.381 5.331 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c23)C1 3267714 PWNCRYTYQXKKPK-CYBMUJFWSA-N 433.408 5.450 0 40 IKAB Cc1ccc(-n2c(Sc3nc4ccccn4c3C=O)nnc2-c2ccccc2)cc1C 3412709 PQOWGKJADMZKAQ-UHFFFAOYSA-N 425.517 5.163 0 40 IKAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc2c(c1)OCCO2 3449911 NFTMOGRHPWHMPD-CQSZACIVSA-N 449.557 5.249 0 40 IKAB CC(=O)Nc1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 3765750 ZOYSRMAEPTZRQB-UHFFFAOYSA-N 439.338 5.384 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1CC=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846380 VPVSCDLLMXELSN-UETVRCAQSA-N 446.672 6.721 0 40 IKAB biogenic COc1ccc(C2=NN(c3ccc(C(C)(C)C)cc3)[C@@H](c3ccc(SC)cc3)C2)cc1 4118591 VATPOSKYCHJWHO-AREMUKBSSA-N 430.617 7.070 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1C 4122540 XIFIPUCUWKCWTR-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB Nc1c(C(=O)c2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 8443086 VUHQXTIGRAOVQE-UHFFFAOYSA-N 430.529 6.644 0 40 IKAB O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8450145 TXXWXESCAGCJAD-GFZBZYAOSA-N 442.559 5.061 0 40 IKAB biogenic,in-vitro CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 8717680 PPVMRAFAGPNXMY-IBGZPJMESA-N 446.776 5.068 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(C)c(Cl)c3)cs2)cc1 8852984 BKZFIKYJAFFKHG-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccccc1Cl 8915143 XODYJJGMAQQTPT-UHFFFAOYSA-N 448.887 6.016 0 40 IKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(Br)o1 8923913 POQDGVARNNSWPS-UHFFFAOYSA-N 441.350 5.713 0 40 IKAB O=C(c1ccc2c(c1)OCO2)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 9031577 VTUFWRQVHPDBCJ-UHFFFAOYSA-N 439.899 5.094 0 40 IKAB COc1cc(CSc2nnc(NC(=O)Nc3ccc(Cl)cc3)s2)cc(OC)c1 9324351 GCPSQJCUUWBDSB-UHFFFAOYSA-N 436.946 5.145 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC(C)C)c1)N(c1cc(C)on1)C3=O 9449560 TTXFHUREMRQEAW-HSZRJFAPSA-N 444.487 5.189 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 9698898 OEQGWWWVABMGLB-UHFFFAOYSA-N 430.892 5.235 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nc(-c2ccccc2Br)n[nH]1 9780853 HQXPVWPUQLVRMT-GFCCVEGCSA-N 441.354 5.387 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 10213675 OWCFHUYOEKVDSI-UHFFFAOYSA-N 434.923 5.623 0 40 IKAB Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)CSCc3ccccc3)nc2c1 10610821 ZILITHJPVQIJIX-UHFFFAOYSA-N 433.602 5.775 0 40 IKAB CN(C)CCCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1 12140940 LYNNTIPZTYTMPE-UHFFFAOYSA-N 430.986 5.158 0 40 IKAB Cn1/c(=N/C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(Cl)ccc21 12562160 NLENPYKIBCWGBH-LVWGJNHUSA-N 435.961 5.911 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3cccs3)n2C2CC2)c2ccccc2)cc1 12679047 VSPDKPBJIHIQPQ-OAQYLSRUSA-N 446.601 6.122 0 40 IKAB COc1cc(C)c(NC(=O)c2sc(COc3ccc(Cl)cc3)nc2C)cc1OC 12786437 IDGPOAMAWIAYGA-UHFFFAOYSA-N 432.929 5.262 0 40 IKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1nc2ccccc2s1 12810103 JCDQLHLLVNIAJA-CYBMUJFWSA-N 442.997 6.308 0 40 IKAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1C 12878398 YPEQDNVZZTYZBN-UHFFFAOYSA-N 443.041 5.599 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1ccccc1Cl)CC2 13060644 MFGFXTCYMVFBKM-QHCPKHFHSA-N 442.968 5.005 0 40 IKAB COc1ccccc1-c1nnc(SCCCC(=O)c2ccc(Br)cc2)o1 13118001 MMUQJCZUNIEOJN-UHFFFAOYSA-N 433.327 5.263 0 40 IKAB Fc1ccc(-c2nnc(SCc3cc(-c4ccccc4)on3)n2C[C@H]2CCCO2)cc1 13120822 IGNCSWWWBXTLIR-HXUWFJFHSA-N 436.512 5.211 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4cc(C)ccc4C)ccc32)cc1 13583660 AVQHVTBCVOHPMR-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13619150 LQJFIUWHNSEFRA-QHAWAJNXSA-N 439.298 5.045 0 40 IKAB CCc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 16840658 KNWCTKFPNWZNAN-UHFFFAOYSA-N 438.556 5.843 0 40 IKAB O=c1[nH]c(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c12)CCCC3 17058844 GMMGODQWVSRYCE-UHFFFAOYSA-N 427.323 5.553 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(F)c1 17096271 FNQVBNGBJCHAPU-AATRIKPKSA-N 429.083 5.011 0 40 IKAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1cccc(OCc2ccccc2)c1 17096831 SCEMPYIOMQIXAU-UHFFFAOYSA-N 430.451 5.411 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc(Cl)c3)o2)cc1Cl 17097426 DFVVHADIAGBHFG-CSKARUKUSA-N 431.344 6.088 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1O 17098330 GSXMIBPPBGKNTH-SOFGYWHQSA-N 433.316 5.485 0 40 IKAB Cc1ccc(F)cc1NC(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12 17121242 WZOYPOHTRFJYRQ-UHFFFAOYSA-N 426.904 5.228 0 40 IKAB C[C@@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)C(=O)Nc1c(F)cccc1F 18597285 UDJUCCBOTBPTKM-SNVBAGLBSA-N 438.297 5.237 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373120 QQXBPYJRPMOVAM-IFMALSPDSA-N 439.563 5.345 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 19646671 VGDSRFBJXVOWLK-CABCVRRESA-N 447.940 5.239 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)c(C)c2)CC1=O 20897573 VRSIKUPDKRRARS-GOSISDBHSA-N 425.960 5.193 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 21598033 YTLMRILBZSKLMW-UHFFFAOYSA-N 430.504 5.252 0 40 IKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 32114640 UXHQTINEOJHXCN-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127178 ULXKETXLMYNMER-UHFFFAOYSA-N 444.490 6.819 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H]1CC(=O)N([C@H](C)c3ccccc3)C1)oc1ccccc12 32675813 IWWAXVJYFZIMGF-SJLPKXTDSA-N 428.488 5.143 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nnc(-c3ccccc3)o2)s1 32747604 GXBHOYFDSXRWIU-UHFFFAOYSA-N 431.561 5.311 0 40 IKAB O=C(CNc1ccccc1NC(=O)c1ccccc1)Nc1ccccc1Oc1ccccc1 32824000 XJKSCMHSOVPYJU-UHFFFAOYSA-N 437.499 5.782 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(C(F)(F)F)c1 33676642 SLFUGFLMYTYKTQ-UHFFFAOYSA-N 427.245 5.844 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 33726786 BZNXKKAZUSTNJR-HYARGMPZSA-N 447.462 5.157 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)COc4ccc([C@@H](C)CC)cc4)c3)nn12 33743105 YQPCBZAPMVZQHQ-HNNXBMFYSA-N 449.580 5.255 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 38755630 UDVQAFWIJUTSCV-ZDUSSCGKSA-N 425.381 5.394 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38848667 LOJKRHVYSXZTFW-UHFFFAOYSA-N 446.205 5.829 0 40 IKAB CCOC(=O)Cc1cccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1 41127419 DAXMRSZIOUMVHO-UHFFFAOYSA-N 436.305 6.030 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 57774989 DAFCUJRRETVFLT-LJQANCHMSA-N 431.540 5.397 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 59474759 DKEHMHFKDZRBPC-UHFFFAOYSA-N 436.945 6.043 0 40 IKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 71844260 OUOKRJNWCFKZBA-NQIIRXRSSA-N 436.577 5.626 0 40 IKAB Cc1cc(-c2cc(C(=O)N(C)[C@@H](C)c3sc(C)nc3C)c3c(C)noc3n2)c(C)s1 78609501 OTRNASQJUZZYCJ-ZDUSSCGKSA-N 440.594 5.783 0 40 IKAB C[C@@H](NC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)c1cc2ccccc2o1 89904639 YPXTYXXBGCLIID-ADLMAVQZSA-N 434.439 5.132 0 40 IKAB Cc1c(-c2nnc3sc(COc4ccc(Br)cc4)nn23)oc2ccccc12 96194325 KKZGJYMBOOEFJP-UHFFFAOYSA-N 441.310 5.249 0 40 IKAB Cc1ccc2oc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5scnc5C)o4)CC3)cc2c1 100156467 OHFOYTRGWBJSJV-IYBDPMFKSA-N 436.537 5.260 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1F 106696997 DCCLXYALEWNYCC-WQRHYEAKSA-N 445.924 6.460 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3Cl)C2=O)cc1 106701921 OOLRNTARVGNGNU-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 106753605 KQBSSLOBKQDWLT-PXNMLYILSA-N 440.304 5.241 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@H]2O 123437116 UVKLEPAXPBFJMQ-NOEBDTEGSA-N 447.446 6.671 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 222459817 AHLDKQCTUKXDGC-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 222460622 RZKODXACURNOPD-JOCHJYFZSA-N 447.044 5.463 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 223019140 FFWDHJOQXRQMJX-OAQYLSRUSA-N 430.331 6.890 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 223104548 SBOVOMRYOLHVNH-RUZDIDTESA-N 443.006 5.837 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223129129 UCCVTAWYTAJRDE-OAQYLSRUSA-N 430.592 5.147 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 223230590 GDVLIDDLVQLSKJ-HXUWFJFHSA-N 443.031 5.730 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 224392459 MLWYNGVBAPOMPG-ZEQRLZLVSA-N 443.551 5.200 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 224592482 CAWIFIMWCWJUKB-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1ccc(Br)cc1 224733348 MMYKOCGHRSWQNI-UHFFFAOYSA-N 442.684 5.337 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c1 224832079 IMNDYSOXBBVRNG-RPWUZVMVSA-N 448.592 5.029 0 40 IKAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)cc1C 225253519 MWVDVKWHVRLQNT-UDWIEESQSA-N 441.553 5.530 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225312083 OWHJEZGCBDIOQJ-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1Cl 225560475 VVUATPOJUFKVOS-QGZVFWFLSA-N 431.960 5.603 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(Oc3ccccc3)n2)o1 225915947 FFVXJVDYJKNVKE-UHFFFAOYSA-N 432.505 5.449 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)c1ccccc1 226334759 JJYPPLLEFKACEV-UWVDOUKLSA-N 449.635 5.412 0 40 IKAB NC1=C(c2ccccc2)[S@](=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 245256368 PSCMSNVGCKPEJP-WJOKGBTCSA-N 425.509 6.177 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257311657 UKNDGAVVYJLMAO-UHFFFAOYSA-N 438.637 5.235 0 40 IKAB COc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 408572394 GRLCGIJCVGZKAR-HNNXBMFYSA-N 426.365 5.025 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1c1ccccc1 408820230 VYTISBSAKXRFLL-UQQQWYQISA-N 437.520 6.660 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1Cl 408831734 PESZTWFMDBWNKP-UHFFFAOYSA-N 433.983 5.219 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccc(Br)cc3)sc1CC2 409050846 BDEYNYHROCCOKF-UHFFFAOYSA-N 429.339 5.241 0 40 IKAB O=C1N/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1ccc(Cl)cc1 409233304 USGQJFGXAAYCBU-UYRXBGFRSA-N 441.339 6.242 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1cccc(C)c1 409258810 VMLYCEFXVLYUFU-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCCCCCN(Cc4ccccc4)CCC3)on2)cc1 643562292 PJBWFTJODIICMP-UHFFFAOYSA-N 447.579 5.259 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1ccc(Cl)c(C(F)(F)F)c1 707079 SAWZZCBNUVAIEU-UHFFFAOYSA-N 443.903 5.583 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(C)cc3)C3CCCCC3)cc2c1 879957 QPFCQDJLTIHUMA-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB COc1ccc(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3F)n2)cc1 929112 CXYUVYCBMQHJJV-UHFFFAOYSA-N 432.520 5.847 0 40 IKAB CCSc1nc2ccc(NC(=O)CSCC(=O)Nc3c(C)cccc3C)cc2s1 1032376 VOYJEVYHQIBXTC-UHFFFAOYSA-N 445.635 5.336 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C(F)(F)F)cc1 1238268 BMTMHFDFUOONEJ-UHFFFAOYSA-N 436.861 5.605 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(F)cc3)[nH]c(=O)c2c1-c1ccccc1 1290441 IDOIALWBDAEZNE-ZDUSSCGKSA-N 439.537 5.218 0 40 IKAB O=C(CSc1nnc2c3ccccc3nc(-c3ccccc3)n12)Nc1ccc(Cl)cc1 1428764 PAQIPEQDINMHMU-UHFFFAOYSA-N 445.935 5.329 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@@H]1c1cccs1 2257662 RHRLVSWJRHZUNP-LEWJYISDSA-N 448.548 5.761 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2Cc2ccco2)cc1 2342824 HTAWPMBDAHISNV-UHFFFAOYSA-N 439.924 5.223 0 40 IKAB Fc1ccccc1-c1nc2cc(Cc3ccc4oc(-c5ccccc5F)nc4c3)ccc2o1 2369845 PGCHAOBBDBPMIQ-UHFFFAOYSA-N 438.433 7.172 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2443034 ZRBSWUPBPYIWCW-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1cc2oc(=O)cc(COC(=O)c3sc4ccccc4c3Cl)c2cc1C(C)C 2635880 SJEQFINZNCFILM-UHFFFAOYSA-N 426.921 6.450 0 40 IKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2cccc(Cl)c2Cl)cc1 3134826 YBCONMAZIKSROA-UHFFFAOYSA-N 434.388 7.184 0 40 IKAB CC(=O)O/N=C1/C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3C[C@H]3CCCC[C@]34C(C)=O)[C@@]2(C)CC1 4474198 LQJAXDXIQDWPOB-UEVRMFSCSA-N 425.613 6.244 0 40 IKAB CC1(C)CC[C@@]2(C)CC=C3[C@@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2C1 5699596 GGGUGZHBAOMSFJ-LLMDLCADSA-N 426.729 8.169 0 40 IKAB in-man CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(O)C[C@H](c3cccs3)CC2=N1 6077345 BXODJYQDWSDBPX-UZUQRXQVSA-N 442.544 5.379 0 40 IKAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCCC3)cc1 8445639 MVQFNQHDRJXJID-UHFFFAOYSA-N 434.561 5.459 0 40 IKAB COc1ccc(N(Cc2cc3cc(OC)ccc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 8612053 FNRLGYSZDIIQIW-UHFFFAOYSA-N 448.906 5.046 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904143 HBZBNXHXXFTHIH-UHFFFAOYSA-N 436.335 5.809 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccc(Cl)cc32)s1 8923697 HOCPKNVNCJGALB-JOCHJYFZSA-N 446.355 5.371 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)[nH]2)cc1 9199470 SVQWWNDKAKUSGY-UHFFFAOYSA-N 435.380 5.807 0 40 IKAB O=C(c1ccc(Br)cc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 9362742 WTOABDHCXUOKSA-GOSISDBHSA-N 429.701 5.687 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9450117 WJEQSQSSLCYEFF-HSZRJFAPSA-N 444.487 5.190 0 40 IKAB CCCCN1C(=O)c2cccc3c(NC(=O)CCCSc4ccc(C)cc4)ccc1c23 9473877 AFQNLWAVIURARX-UHFFFAOYSA-N 432.589 6.420 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 9689843 QNVFIUSYKBQWSO-QGZVFWFLSA-N 441.000 5.140 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 9892196 PXSHGZBNWIEHGI-GFCCVEGCSA-N 447.284 6.018 0 40 IKAB CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1)S(C)(=O)=O 10008615 ZUAOPSYVAFBLLD-UHFFFAOYSA-N 444.940 5.171 0 40 IKAB COCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 10156930 USYSZOCTEYRSOS-DVQDXYAYSA-N 444.922 5.050 0 40 IKAB CCOc1ccc2nc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)sc2c1 10254379 RHNSNQNTPKXVIW-UHFFFAOYSA-N 449.601 5.588 0 40 IKAB O=C(COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)c1ccc(N2CCCC2)cc1 11865520 XOYPMUFZFYZNSK-UHFFFAOYSA-N 437.923 5.187 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(C(=O)c2ccccc2)cc1 12550989 AZRVTWNFAYQXMV-SANMLTNESA-N 445.522 5.508 0 40 IKAB Cc1nn(-c2ccccc2Cl)c(Cl)c1[C@H]1Nc2ccccc2-c2nc3ccccc3n21 12564926 ZZKNQLQJYBMYOK-DEOSSOPVSA-N 446.341 6.477 0 40 IKAB O=C1Nc2ccccc2[C@]12Oc1ccc(Br)cc1-c1cc(-c3ccccc3)nn12 12760686 PHSRAUPIECSNSJ-QHCPKHFHSA-N 444.288 5.025 0 40 IKAB COc1ccc(-c2nn(CN3CCC[C@@H]3c3ccc(OC)cc3)c(=S)n2C(C)C)cc1 12787480 UCZTXHRSKZZTQY-JOCHJYFZSA-N 438.597 5.474 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccccc1Cl 12868802 QQOWAAZHOLKIKH-MHZLTWQESA-N 441.914 5.501 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccccc1 13115150 MJWHWBRLKJZRPN-QFIPXVFZSA-N 444.560 5.292 0 40 IKAB COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1Cl 13623795 RNGGXKNIYBUWIT-MLGOLLRUSA-N 440.809 5.051 0 40 IKAB O=C1C[C@H](c2ccc(OCc3ccccc3Cl)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085107 ANIAFWJZVNPTEE-HXUWFJFHSA-N 444.922 5.860 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1cccc2c(Cl)cccc12 16282660 PABWNQFYCONCAJ-UHFFFAOYSA-N 428.944 7.331 0 40 IKAB CCCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 17195895 KOPCGTSOUMOBEO-UHFFFAOYSA-N 447.354 5.622 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 18239025 USQPYCJXXADDOO-QHCPKHFHSA-N 428.488 5.390 0 40 IKAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19630881 QHIVUKXCJMQKMT-CSKARUKUSA-N 439.949 5.736 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1ccc(-c2ccc(Cl)cc2)o1 19637148 MRIFGWGLVFVSAB-UHFFFAOYSA-N 442.858 5.653 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 19647368 IKTMFBASWKRACL-UHFFFAOYSA-N 448.522 7.040 0 40 IKAB CC(=O)Nc1sc2c(c1[C@@H](c1ccc(C(F)(F)F)cc1)N1CCOCC1)CCCC2 19879456 OPMZEWYQQIRNOK-HXUWFJFHSA-N 438.515 5.026 0 40 IKAB Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144543 OWRKMJVMBVRGPM-UHFFFAOYSA-N 440.710 5.725 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Cl 20239953 PLCLLCQPEQWCCF-UHFFFAOYSA-N 448.994 6.056 0 40 IKAB O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20736107 QYGQQFKCFAFMIK-DEOSSOPVSA-N 426.516 5.478 0 40 IKAB C[C@H]1C[C@H](C)CN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 22851858 NSDJYQKFIXYEHY-DEYYWGMASA-N 442.972 5.477 0 40 IKAB Cc1cc(Br)ccc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 23513837 OWVDAGYETLGVFU-UHFFFAOYSA-N 438.321 5.071 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 32686039 XPMFPFLKTUCOMG-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1C 33592211 FUFXGBAVXBGJKI-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1 35144180 WQCTYJUZDVBVOA-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35684942 FDPDWCCCTKQVHU-HNNXBMFYSA-N 434.805 5.101 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C)c(Cl)c2)c1 38652959 ANJCFYGQDLPYPV-UHFFFAOYSA-N 434.970 5.096 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2cccc(Cl)c2)cc1 44087306 RXVROFVSBVJVSK-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB CCCCc1nc(Cl)c(Cl)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1 44136163 KUSIPNNIJUARFJ-UHFFFAOYSA-N 427.339 5.428 0 40 IKAB in-vitro CN1c2ccc(Cl)cc2[C@@H]2c3ccccc3CCN2[C@H]1c1ccc(Br)cc1 53391125 AMGMZTUVAGELMP-GOTSBHOMSA-N 439.784 6.199 0 40 IKAB Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccccc3)c2)cc1 57486258 HNJRCTRGQGZKQI-UHFFFAOYSA-N 441.556 5.086 0 40 IKAB C[C@H](NC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 58031983 CLIIADXZFLHZJQ-AWEZNQCLSA-N 425.319 5.665 0 40 IKAB Cc1c([C@H](C)NC(=O)N[C@H](C(=O)Nc2ccccc2)c2ccccc2)oc2ccccc12 58167467 NYHZDLFVEBSRDM-MBSDFSHPSA-N 427.504 5.481 0 40 IKAB CCOc1ccc(N[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1CO 62587265 XHPXDLYNHVXZOG-JOCHJYFZSA-N 444.453 5.388 0 40 IKAB C[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1cccc(C(=O)c2ccccc2)c1 85414318 ZTSGQQIRBWBFEW-AWEZNQCLSA-N 431.841 6.332 0 40 IKAB Cc1ccc(C(=O)NCC(F)(F)F)cc1NCc1cnoc1-c1ccc(Cl)s1 95972083 SIEQJHLHJDPUDM-UHFFFAOYSA-N 429.851 5.269 0 40 IKAB Cc1cccc([C@H](N(Cc2ccccc2)C(=O)CCNC(=O)c2ccco2)C(F)(F)F)c1 96003460 VYDHDXADRVTJAA-QFIPXVFZSA-N 444.453 5.040 0 40 IKAB COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 106937196 YYVKVFVTWZCTOS-RDGATRHJSA-N 448.906 5.110 0 40 IKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(OC)c(C)c1 222723000 UJRDQFRWEDHTCT-IBGZPJMESA-N 442.353 5.566 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222786404 LAJSUJZKDLBRCG-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)ccc1Cl 222842215 BAZYPMBCJJNSQP-CYBMUJFWSA-N 432.800 5.772 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076416 IHHLEWCQNVADFK-UHFFFAOYSA-N 425.315 5.839 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc(OC2CCCC2)cc1 223640719 SFOZRUSRWRRUDF-ULJHMMPZSA-N 430.504 5.319 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCC1 223786466 OSGCYAACUDTLCG-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224486085 KSXRGTUWXRHSJF-IBGZPJMESA-N 447.044 5.054 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc2ccccc2c1 224639768 HHYUWJMPPZXONM-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 224984946 GTXSZZKSDYRIMB-UHFFFAOYSA-N 432.800 5.854 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n(-c2ccccc2)c1C 225031117 FSWOYDROUNNLSX-JWQCQUIFSA-N 430.621 5.713 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C 225113076 XTDAMYMZYHKZIN-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1 225118096 FUAKUGKLCXWSIE-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225153302 VBVXKWRIJNYUSP-HSZRJFAPSA-N 445.003 5.141 0 40 IKAB Cc1nc(-c2cccc(NC(=S)N[C@H](CC(=O)O)c3cccc(Cl)c3)c2)cs1 225219279 OLWASQVZYGWCGR-QGZVFWFLSA-N 431.970 5.274 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225663326 PAAXNVCAUBKTLE-JTSKRJEESA-N 432.967 5.134 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cc(Cl)ccc1Cl 225831741 FOALQHFUHJWZGF-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3cc(Cl)ccc3Cl)CC2)cc1 231423066 KDQCTUZGUPZLOQ-HNNXBMFYSA-N 427.397 5.018 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccccc1)N2)[C@H]1C[C@H]2CC[C@H]1C2 239412363 SPFMYGMPPCZEPK-IGNBPQAWSA-N 432.490 5.098 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561281 HKTUUBHXBCAGLA-DAFNUICNSA-N 437.367 6.376 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1 408640717 ILXWOTCFIHFHEL-LJQANCHMSA-N 428.532 5.768 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1ccc(Cl)cc1 408698864 QDULJMHPFVKKHU-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)OCC(=O)c2ccccc2)nc1-c1ccc(F)cc1 408699477 XCTQJZZAYMZDGG-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(C)cc2)cc1 408699630 VHTLPXUNENDUEQ-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2cccc3ccccc23)c1 408724468 KYAVUIYXNYATKB-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB Cc1cc(C)cc(CSCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 408925069 IKWWVBWYNODXHQ-UHFFFAOYSA-N 428.450 5.893 0 40 IKAB COc1ccc2ccc(OC)c(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)c2c1 409146524 UMSGEZJVCMGTBW-XQNSMLJCSA-N 433.529 5.526 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)c1 409182639 MGDSCFLYLRGPGC-MUUNZHRXSA-N 436.507 6.355 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OCC)cc2)nc1-c1ccc(F)cc1 409206587 XKBWRYCYTOEXLB-UHFFFAOYSA-N 440.540 5.902 0 40 IKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(COc3ccccc3)n2)c1 585265462 QTRVSCNTFMRQGA-UHFFFAOYSA-N 425.484 5.913 0 40 IKAB CC(C)CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CC3CC3)CC2)C1 643588741 JRTRSDUZFWVXRE-UHFFFAOYSA-N 426.645 5.159 0 40 IKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 683023 KTGUMCPMMSTZSN-WOJBJXKFSA-N 432.520 5.115 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N(C)c3ccccc3)n2)cc1 920482 ZUJSZUUWNNYFBU-UHFFFAOYSA-N 447.482 5.316 0 40 IKAB CCOc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(F)cc23)c1 922138 VSICINLLZHPOLT-UHFFFAOYSA-N 433.508 5.565 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c(C)c1 997069 SVYXDRGWWJDNEV-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)c1ccco1 1341792 NBMCSCVKPKJJND-QFIPXVFZSA-N 440.540 5.313 0 40 IKAB Cc1noc(C)c1C(=O)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 1353811 DULLTSNNUOMFDE-XMMPIXPASA-N 449.526 5.268 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1 1366494 TWHLMVDVMHIUSQ-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4OC)ncnc32)cc1 1447729 VKTIAOWACDOMDS-UHFFFAOYSA-N 436.515 5.717 0 40 IKAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 2100083 NWNQOAZCDWMOGB-VFIQNOQPSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1 2196910 MJUZHWOLBBOTDE-UHFFFAOYSA-N 447.922 5.648 0 40 IKAB biogenic CCCCCOC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2435042 MCXAOAFIFBXVSP-UHFFFAOYSA-N 438.915 5.165 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Oc1ccc2ccccc2c1)OCc1ccccc1 2516264 OIFLAYGUGJCZKM-VWLOTQADSA-N 425.484 5.283 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(-c3sc4ccccc4c3Cl)n2N)cc1 2629319 YJJQEUGVRJNQSM-UHFFFAOYSA-N 429.014 6.117 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 2691350 PHMWFCUGFUVKCG-UHFFFAOYSA-N 439.490 5.724 0 40 IKAB Cc1nn(CCCn2c(SCc3ccc(F)cc3)nc3ccccc3c2=O)cc1Cl 2741182 SFDTWZXTNUFNTQ-UHFFFAOYSA-N 442.947 5.077 0 40 IKAB Cn1c2ccccc2c2cc([C@@H]3Nc4ccccc4C(=O)N3c3ccc(Cl)cc3)ccc21 2785187 XASODDQFCAAZPN-AREMUKBSSA-N 437.930 6.756 0 40 IKAB COc1ccc(Nc2sc(C(=O)c3ccc(Br)cc3)c3c2CCCC3)cc1 3296565 FCVNPBUQECQXQE-UHFFFAOYSA-N 442.378 6.373 0 40 IKAB CCc1c(-c2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c(=O)oc2ccc(F)cc12 3351847 WGEAKIQIYZYPHL-UHFFFAOYSA-N 441.527 7.260 0 40 IKAB CSc1nn(-c2ccc(C(=O)OCc3c(F)cccc3Cl)cc2)c(=S)s1 3427230 DGPUXGPRISNVLV-UHFFFAOYSA-N 426.947 5.535 0 40 IKAB CN(C)CCCNC(=O)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 3469576 KFHOALZJRLYJFY-UHFFFAOYSA-N 433.499 5.177 0 40 IKAB CCCc1nc(N2CC[C@H](c3ccccc3)C2)c2sc(=S)n(-c3ccccc3)c2n1 3629039 HWEHIMRBRBOCTP-SFHVURJKSA-N 432.618 6.158 0 40 IKAB CCCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccoc1C 4388429 DKBDPVMPOMSTLJ-UHFFFAOYSA-N 432.549 5.654 0 40 IKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3F)nc3ccc(Cl)cn23)cc1 4793986 LUFSDKQHMUGYHP-UHFFFAOYSA-N 430.708 6.608 0 40 IKAB CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)Nc1ccccc1 5414848 JELXQKHIXQMSRD-IRXDYDNUSA-N 433.474 5.614 0 40 IKAB biogenic,in-vitro COc1ccc([C@H]2[C@@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 8382979 AFRWOSWUNHFAGE-BVAGGSTKSA-N 428.557 5.338 0 40 IKAB O=C(Oc1ccc(Sc2ccc(O)cc2)cc1)c1ccccc1I 8453396 RIPQJJUNVWYZOJ-UHFFFAOYSA-N 448.281 5.367 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3C)cc2c1 8612050 QTSVCRMPDAVWIL-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3c(c2)CCC3)c1 8772054 GMLKEZMWKDEKPJ-UHFFFAOYSA-N 432.545 5.167 0 40 IKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@H](C)C3)c1 8781325 IITWULYVMMLBGY-HNNXBMFYSA-N 438.980 6.339 0 40 IKAB COc1ccccc1[C@@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789755 ZEMSPDMNSIAWTF-DCFHFQCYSA-N 437.499 5.006 0 40 IKAB biogenic Cc1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1-c1ccccc1 9095804 JYNCZIYXPCNIEA-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1Cl)O2 9281717 DGMWSJJKDLUBRZ-CVDCTZTESA-N 439.298 5.964 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)c1sc2ccccc2c1Cl 9289109 XCIXXKSXPRNDAZ-UHFFFAOYSA-N 435.892 6.019 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1oc3ccccc3c1C)CC2 9431210 XMLIUWXLUOFEKU-VWLOTQADSA-N 427.500 5.546 0 40 IKAB Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2)c1CNCc1nc2ccccc2[nH]1 9465412 SZYKTASTGBSFMY-UHFFFAOYSA-N 427.483 5.278 0 40 IKAB CCCOc1ccc(OCCSCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1 9516616 ZVXOHPPWSDEAMI-UHFFFAOYSA-N 447.906 5.898 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 9540261 NZLZEIUZVZUUDV-UHFFFAOYSA-N 439.309 5.352 0 40 IKAB COc1ccc(Cc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 9548835 UJQWBPIWWDDBBP-QGZVFWFLSA-N 445.544 5.455 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc3ccccc3o2)CC1 9671686 DQERLGGSBXUUBG-SOFGYWHQSA-N 434.845 5.919 0 40 IKAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1 9712707 CNDBBCUUBBRJDQ-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)NC(C)C)nc2scc(-c3ccccc3)c2c1=O 9962416 XPOWQFVABLWSRK-UHFFFAOYSA-N 449.601 5.039 0 40 IKAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 12062896 QXYGZTUNXPZILA-XMMPIXPASA-N 449.547 5.490 0 40 IKAB CC[C@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 12418778 KLTZAZPJHPOFPO-YMPIYDPWSA-N 437.605 5.244 0 40 IKAB O=C(O)c1cc(Cl)cc2c1N[C@@H](c1cccc(OC(F)(F)F)c1)[C@H]1[C@@H]2[C@H]2CC[C@@H]1C2 12428834 MDYBVKDISQFLKR-ZQEBBVQHSA-N 437.845 6.233 0 40 IKAB COCc1c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)sc2cccc(F)c12 13006073 BSTSKOUFWZNGHZ-AWEZNQCLSA-N 440.565 5.816 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1cccnc1Sc1ccccc1Cl 13019414 RQUGUHXFMRVQFN-UHFFFAOYSA-N 437.996 5.281 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)OCC(=O)c3cc(C)n(C(C)C)c3C)c2Cl)cc1 13040506 JJZGQSVNCIGVEK-UHFFFAOYSA-N 441.959 5.241 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(COc3ccc(C(C)(C)C)cc3)cc2)c(OC)c1 13095404 RYSJRKBGPQEZEY-UHFFFAOYSA-N 447.575 5.853 0 40 IKAB CC(C)c1ccccc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 13147840 FEVOVCBFGNSTQJ-JOCHJYFZSA-N 430.529 5.924 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1 13608226 CAMFGLTUDDRIKE-UHFFFAOYSA-N 430.552 5.059 0 40 IKAB Clc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3ccco3)=NN21 13661559 FXDJARUSHYGKCE-YLJYHZDGSA-N 429.701 5.938 0 40 IKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCN(C/C=C/c2ccccc2)CC1 13687855 SNRLOUAARKFHMB-RMKNXTFCSA-N 446.978 5.390 0 40 IKAB CCc1ccc(OCCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)cc1 13828277 VIPNPUIOSIHLDH-UHFFFAOYSA-N 447.623 5.697 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccccc2C)c2ccccc21 13940643 DIVWSQVVZLOADJ-NLFFAJNJSA-N 428.532 5.293 0 40 IKAB CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1sc2ccccc2c1Cl 14571223 QGQOXCHRFZHRPH-UHFFFAOYSA-N 446.359 5.497 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N(Cc3ccccc3)C(C)(C)C)nc3ccccc32)c1 15978060 CQPRZUITCUTEIK-UHFFFAOYSA-N 443.616 6.253 0 40 IKAB CN(C(=O)Nc1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1C(=O)c1ccccc1 16188744 MWTCFBIATKTZAR-UHFFFAOYSA-N 432.829 6.258 0 40 IKAB COc1cccc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)c1OCc1ccc(Cl)cc1 16606118 LNLAVJWZNJEFJH-WXIHSGNDSA-N 440.027 6.766 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc(OC)cc3)=NN21 16739441 NLHHBFZBCHICLP-RCZVLFRGSA-N 434.923 5.990 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)c2n[nH]c(=S)s2)c1 16769393 YUCNOHXAYURUFQ-UHFFFAOYSA-N 425.366 5.593 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cc(Cl)ccc4C)nccn3n2)cc1 16841660 LBODCCJLEBKDEF-UHFFFAOYSA-N 436.968 5.651 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17096349 INPWVVUDUJHQMR-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 17100494 HLXCTBVIXMYDFE-UHFFFAOYSA-N 436.540 5.818 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)COc3ccc4ccccc4c3)c2C(N)=O)C1 17100646 GCEGBNUJMFNNRI-QGZVFWFLSA-N 436.577 5.169 0 40 IKAB COCCN(Cc1ccccc1)C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18079692 FSOJYQICQJTQAE-UHFFFAOYSA-N 430.426 5.182 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)[C@H]4CC=CCC4)C3)cc2N1 19082276 APXGMXGYVLNWBD-OGWHTMIXSA-N 438.538 5.279 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Br)o1 19633183 BCUGXSFKVRUVTN-UHFFFAOYSA-N 441.281 5.728 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 20137413 IGOACQRYLDHFPB-UHFFFAOYSA-N 441.318 5.762 0 40 IKAB CC(C)C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccccc1 20493104 CDBRSASQPQHDCX-FQEVSTJZSA-N 426.354 5.885 0 40 IKAB C[C@H](NCc1cc(Cl)ccc1OCc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2 22073943 RJUVNADBUYSSIN-BALBBAFXSA-N 444.446 7.267 0 40 IKAB CC(C)c1ccc(-n2ncc(C(=O)N3CC=C(c4ccccc4)CC3)c2-n2cccc2)cc1 22570674 UCTJLFNJRWFDII-UHFFFAOYSA-N 436.559 5.716 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4ccoc4C)n3-c3ccccc3)no2)cc1 24046297 JSKBZKIIPCIUBV-UHFFFAOYSA-N 445.504 5.187 0 40 IKAB CCCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccccc1 26688699 RCWRUVMOFXJESS-VHXPQNKSSA-N 443.638 5.280 0 40 IKAB COc1ccc(C(=O)NC[C@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1 27742264 MUFCNKKBDKROBV-OAQYLSRUSA-N 449.348 5.501 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1ccc(Br)cc1C(F)(F)F 27975286 SPNBCPBTNIYVGZ-LLVKDONJSA-N 428.248 5.363 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 30871603 CPYSPBVCLUGGDV-DEOSSOPVSA-N 430.548 5.072 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2CC)cc1 33278127 IWAYVFVCIMQDQY-UHFFFAOYSA-N 449.601 5.438 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@H]21 33713022 RWYZGOSJNMNCMW-AMGIVPHBSA-N 444.531 5.653 0 40 IKAB O=C(NC(=S)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1)c1ccco1 33767791 FYNUBIMWDZHAKF-SLTGQRFUSA-N 441.556 5.591 0 40 IKAB COc1ccc(/C=C2/N=C(SC[C@H]3CCCCO3)N(c3cc(C)cc(C)c3)C2=O)cc1 33782911 SFUNEDOKAHGDRW-WWOVWOHCSA-N 436.577 5.358 0 40 IKAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1c(Cl)cc(Br)cc1Cl 35065821 XNZCKDKGTZSHGA-UHFFFAOYSA-N 441.149 6.433 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3cccc(C)c3)cc2c1 35314137 ULTMTRHIVIJNNA-UHFFFAOYSA-N 446.938 5.835 0 40 IKAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 37613818 DHPABJAAWYDUQJ-MZLPPYGWSA-N 427.931 5.973 0 40 IKAB O=C(COC(=O)c1[nH]c2ccccc2c1Br)Nc1c(Cl)cccc1Cl 48285846 IYBKPAVWCXSZHH-UHFFFAOYSA-N 442.096 5.033 0 40 IKAB Cc1ccc2cccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2n1 57313922 ORFQISKBGGWTMW-WYMLVPIESA-N 447.947 5.983 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2ccsc2c1=O 57426030 DXXCFBCMLBZWFK-UHFFFAOYSA-N 439.965 5.027 0 40 IKAB C[C@H](Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)C(=O)N1CCc2sccc2C1 58415289 KCXCRIWNKGVDED-ZDUSSCGKSA-N 448.375 5.628 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 59477592 ORRLEUVVIVIVGV-FYWRMAATSA-N 442.902 6.504 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)N(C)Cc3cccc4ncccc34)sc3ccccc23)C1 72352574 QBNZYYPWFDRQCK-IBGZPJMESA-N 443.572 5.058 0 40 IKAB CC(=O)N1CCCCC[C@H]1Cc1c(C(=O)N(C)CCc2ccccc2)sc2ccccc12 72370826 GMUQDVSEJYMWKW-QFIPXVFZSA-N 448.632 5.550 0 40 IKAB ClC1(c2ccccc2)c2ccc(Br)cc2-c2cc(Br)ccc21 73258185 HSAQYXOLMZCUQU-UHFFFAOYSA-N 434.558 6.723 0 40 IKAB O=C(Nc1cccc(CNCCc2nc(-c3ccncc3)cs2)c1)c1ccccc1Cl 78869803 QBLQFKIPMDRJBQ-UHFFFAOYSA-N 448.979 5.443 0 40 IKAB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccsc1 95939602 JKJDGDFNXYOZJJ-FQEVSTJZSA-N 432.574 5.750 0 40 IKAB CC(C)[C@@H]1C[C@]2(c3ccc(Cl)cc3)O[C@@H]3[C@@H]1[C@](c1ccc(Cl)cc1)(OC3(C)C)O2 100147464 SUSZLTGGPRLULV-XEBLDREYSA-N 433.375 6.516 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 102768363 SEPGHCCRPAHPBO-DNVJHFABSA-N 432.907 5.008 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccnn1Cc1cccs1 102911739 RMAVELRUSLIDPM-SNEKZUEESA-N 434.403 5.055 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN21 106937237 BMTFTLPUQWJZKN-NFBKMPQASA-N 425.315 6.244 0 40 IKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3ccccc3Sc3ccccc3)cc2)n1 170569335 MYIRNHJZXQJWES-UHFFFAOYSA-N 426.545 6.241 0 40 IKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1c(Cl)cccc1Cl 214824299 CYQVLXQZTXMLTA-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 222727095 NYMUUJFTOPSPOY-MOHJPFBDSA-N 448.588 5.055 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223225254 DFJKFTRQRVNJMX-QFIPXVFZSA-N 426.626 5.118 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1C(C)C 223270126 VWNYAQCRVMNJIW-KXWHUPIZSA-N 448.006 7.198 0 40 IKAB COC(=O)c1cccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c1 223794739 KNIMUSDKTZNUIT-UHFFFAOYSA-N 447.965 5.220 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223903247 ZKFQDAVHELNBNY-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccccc1 223962531 KWVSQMMDQUXWDD-QHCPKHFHSA-N 440.540 5.144 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223980376 OFZWZIORPZPMOA-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)c1 224227881 IWTGMFFZQPTXLW-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1C 224409931 OOKMGEFIFFQYRR-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB Fc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224472567 ASULUEKRAMPCMQ-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccc2ccccc2c1 224642615 GQNNDCXMBSTYKE-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB COc1ccc(C(=O)N2CCS/C2=C/c2csc(Nc3ccc(F)cc3)n2)cc1 225252960 VKEFUIQMLGZBIK-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB Cc1ccc2[nH]c(-c3ccc(C(=O)N(Cc4ccccc4)Cc4ccccc4)cc3)nc2c1 225263169 MMGQTTXANWOUOH-UHFFFAOYSA-N 431.539 6.381 0 40 IKAB CC(=O)Nc1cccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)c1 225340612 NNJCBOQDIJIAFS-UHFFFAOYSA-N 428.517 5.012 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccccc2Br)o1 226347911 ZDBFBBMFXHKRDJ-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2cccc(OC(C)C)c2)cc1 257307461 SYSIMSQBUMCOBH-UHFFFAOYSA-N 433.504 5.302 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564620 ZXQBDCCWNIFDNT-FLFQWRMESA-N 435.376 5.855 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408577627 UBRGFGXWNNCPAB-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1C 408651914 CPTGXTZECWSZFL-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccc(Cl)cc1Cl 408712968 DTIVPQQLMXRBAQ-UHFFFAOYSA-N 433.360 6.087 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 408724136 GCVPZPOATXKTLM-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408761199 CILVPSYFNAWPLX-JCMHNJIXSA-N 441.483 5.266 0 40 IKAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCc1ccccc1 408994318 YKZRQDYHNKBCII-UHFFFAOYSA-N 446.572 6.311 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409018652 NYDDMCMZDOZSOT-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)NCc3ccc(Cl)cc3Cl)CC2)cc1 409050914 DBPYXNQZCMLTFI-UHFFFAOYSA-N 447.406 5.460 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(OCC)cc2)cc1OC 409110687 FXGFJCDAYCYNBV-UHFFFAOYSA-N 441.309 5.099 0 40 IKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409138754 HODMHOZPLZIGHE-QGOAFFKASA-N 436.360 6.061 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409156686 UBZUAZIJBSKVEJ-VCHYOVAHSA-N 427.323 5.475 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1cccc(Cl)c1 409180260 XLIRUWSBPVNOQG-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@H](C)Oc1ccccc1 409339061 DRJVBIQRTXFCKD-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB CC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264599 JTOUOSZAHRAMJQ-DWQJTFDBSA-N 442.527 5.520 0 40 IKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 649327 HEALQQKFTTZJLS-UHFFFAOYSA-N 437.613 5.183 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3N2)cc1 867143 UVRJMJHLNDFLMU-QZTJIDSGSA-N 448.876 6.066 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccc(C)cc2)cc1 874214 VPDATQDGTMIPBX-SFHVURJKSA-N 429.549 5.065 0 40 IKAB CCOc1ccc(NC(=O)CSc2cc(C)nc(SCc3ccccc3)n2)cc1 907696 ODLQPZVEGQBGKZ-UHFFFAOYSA-N 425.579 5.207 0 40 IKAB COc1ccc(NCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 925132 BYHXCFIGHFXPNW-UHFFFAOYSA-N 446.532 5.147 0 40 IKAB Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2ccc(Cl)cc2Cl)n1 1388252 KWFQHVZSSDYKRH-UHFFFAOYSA-N 436.316 5.057 0 40 IKAB O=C(c1ccccc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1nc2ccccc2[nH]1 1512499 DBNLRJORVQJJCP-OAQYLSRUSA-N 445.320 5.317 0 40 IKAB COc1ccc(-c2nc(C(=O)NCc3ccc(F)cc3)cc3c2[nH]c2ccccc23)cc1 2131730 VOYRQQZZAIQKFG-UHFFFAOYSA-N 425.463 5.461 0 40 IKAB biogenic COc1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1 2212114 UXZYNZOLLHPHAF-UHFFFAOYSA-N 436.895 5.791 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc(F)c(F)c1 2223098 XNFLDKHTIDIBIL-UHFFFAOYSA-N 440.450 5.082 0 40 IKAB Cc1cccc(OP(=O)(Nc2cccc3cccnc23)Oc2cccc(C)c2C)c1C 2291078 BOKZPDLOJHHXBQ-UHFFFAOYSA-N 432.460 7.146 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2639409 FTXKOIHEINDCBM-UHFFFAOYSA-N 447.494 5.489 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1cccnc1 2999334 GKBYUSRXRMJOAJ-UHFFFAOYSA-N 434.417 6.812 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 3012752 ABFDMKCHUPEWTK-RTBURBONSA-N 448.876 6.066 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N(c1ccc(F)cc1)c1nc2ccccc2s1 3260649 JCAKQDUIGZCBPV-WUXMJOGZSA-N 443.330 7.120 0 40 IKAB CCN(C(=O)CSc1nnc2c(Cl)cc(Cl)cn12)c1cccc2ccccc12 3295007 SRSMGXLDGGQLIE-UHFFFAOYSA-N 431.348 5.335 0 40 IKAB COc1cccc(CN[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 3476718 AREIIBMOMBLEJN-NRFANRHFSA-N 448.872 5.837 0 40 IKAB COc1ccc(NC(=O)COC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 3515494 KSSFSCHQGAIERI-UHFFFAOYSA-N 444.723 5.666 0 40 IKAB CCN(CC)CCOc1ccc(CN(C)C[C@H](C)CCC2=C(C)CCCC2(C)C)cc1 4683513 MLQZBAKACJBTPP-HSZRJFAPSA-N 428.705 6.782 0 40 IKAB CC(C)[C@H](CCNC(=O)C[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 5398433 LFWUOLPEABZMPN-SQJMNOBHSA-N 432.004 6.096 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 6282032 JCZGWEIAUNIOGO-UHFFFAOYSA-N 448.979 5.284 0 40 IKAB Cc1ccc(NC(=O)c2ccc3cc(OC(=S)N4CCC(C)CC4)ccc3c2)cc1C 8398925 SRFTXLLUBXSVMS-UHFFFAOYSA-N 432.589 6.105 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 8719137 PCZHNEZDVRYCJB-HSZRJFAPSA-N 429.545 5.749 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756186 UYDVFCMOTNILOQ-LJQANCHMSA-N 429.495 5.083 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)cc1 8871466 YDCHEXCMVWXDGH-QFIPXVFZSA-N 439.559 5.724 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 8919650 APXHILLUAHEILA-BDYUSTAISA-N 442.559 6.244 0 40 IKAB C[C@H](Oc1ccccc1)C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12 8924076 KSOQKARNLNZFIR-KRWDZBQOSA-N 434.536 5.650 0 40 IKAB O=C(Nc1ccccc1F)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101752 QGGOXXXGPNKNKX-UHFFFAOYSA-N 437.421 5.180 0 40 IKAB Cc1nc2[nH]c(SCC(=O)Nc3cc(Cl)ccc3Cl)nc2cc1Br 9210857 NEUYGVOMMOVAIG-UHFFFAOYSA-N 446.157 5.066 0 40 IKAB COc1ccc(-c2c(N)oc3cc(OCc4ccccc4Cl)ccc3c2=O)cc1OC 9302674 SXAFPWRRGAHOOI-UHFFFAOYSA-N 437.879 5.292 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 9308931 OGOAXGCAORICEE-UHFFFAOYSA-N 442.588 6.008 0 40 IKAB Cc1ccc2nc(NC(=O)Cc3cn(Cc4ccc(F)cc4)c4ccccc34)sc2c1 9523780 HFNAFAIZNMYCAV-UHFFFAOYSA-N 429.520 5.928 0 40 IKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(OC)ccc(Cl)c3s2)cc1 9708977 PDRGEEACOAHQOM-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1)c1cccc(Cl)c1Cl 9892146 LRDCBALMUDXNNK-UHFFFAOYSA-N 442.327 5.928 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9951409 BUTNWJLGUKGIOV-UHFFFAOYSA-N 435.578 5.012 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccccc3Cl)nc12 10187663 RCJGTUSPQYKKAU-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccc(C(C)C)cc3)cc2)c1 10315103 DISICFBCSLGYCV-UHFFFAOYSA-N 436.577 5.491 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(-c2ccccc2)cc1 11617338 NXUMYGSWXFPINR-UHFFFAOYSA-N 432.548 7.396 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137058 KGQZNHXAWYJMNA-OAHLLOKOSA-N 449.378 5.804 0 40 IKAB COC(=O)c1ccc(OC(=O)c2sc3ccccc3c2Cl)c(Br)c1 12137493 ZRFDZJBTZSCRBP-UHFFFAOYSA-N 425.687 5.323 0 40 IKAB COc1ccc2c(C)cc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nc2c1 12546903 UKBPFEXGKQSHHY-HHHXNRCGSA-N 438.552 6.749 0 40 IKAB O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)Nc1nc2ccc(F)cc2s1 12557886 NQXRCCFLZWOTPF-UHFFFAOYSA-N 442.541 5.007 0 40 IKAB Cc1ccc(-c2nc(CC(=O)Nc3cc(Cl)ccc3N3CCOCC3)cs2)c(C)c1 12562123 CXFZUIVACPGKBD-UHFFFAOYSA-N 441.984 5.098 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](Sc1ccccc1)c1ccccc1 12565770 ZBGFAOCRDSWENG-BRXVMWLGSA-N 440.605 6.067 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccccc3)n2[C@@H](Cc2ccccc2)C(=O)O)cc1 12652654 HWYNRSQUGFMXJI-WOLPYFHWSA-N 444.556 5.716 0 40 IKAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 12750498 NHJAFWUGQSWKMS-UHFFFAOYSA-N 441.936 5.061 0 40 IKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 13116918 XWZBTPMWSAPXAW-AREMUKBSSA-N 431.539 5.795 0 40 IKAB Cc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960778 QZIFEFMAYJDZND-UHFFFAOYSA-N 449.623 7.872 0 40 IKAB CC1(C)C[C@H](NC(=O)c2cccc(Cl)c2)C[C@@](C)(CNC(=O)c2cccc(Cl)c2)C1 13969891 NZKUSTGCPFZVKU-GBXCKJPGSA-N 447.406 5.738 0 40 IKAB Clc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccccc2Cl)c(Cl)c1 14944051 WFQNUYBVYNTKDL-ZRDIBKRKSA-N 441.745 7.339 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 15413229 SJRBNLKNBWXZME-MHZLTWQESA-N 442.559 5.638 0 40 IKAB CCCCCOc1cccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)c1 15880221 ZRYCIYPSZAABCI-UHFFFAOYSA-N 435.593 5.523 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1ccc(C(C)(C)C)cc1 16284431 UBBOQSCVBQXBCU-UHFFFAOYSA-N 434.543 6.432 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(Cl)cc2)cc1C 17250444 GHVQORZFJMLRNA-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB c1ccc(CCCOc2ccccc2NCc2ccc(OCCc3ccccc3)cc2)cc1 19738459 KWCKOYNONSQQPF-UHFFFAOYSA-N 437.583 6.932 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19990012 UEHTULBMIXOWSW-UHFFFAOYSA-N 446.594 5.830 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610646 JLXOPQHAJCFTQC-UHFFFAOYSA-N 428.536 5.831 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3c[nH]c4ccccc34)n2C)cc1 22434770 KFOFQDXVKAHLMS-INIZCTEOSA-N 433.581 5.173 0 40 IKAB Fc1ccc(-c2nn(-c3nc(-c4ccccc4)cs3)c(-c3ccc(F)cc3)c2Cl)cc1 22529038 BWVSAXYZXSXSOH-UHFFFAOYSA-N 449.913 7.261 0 40 IKAB Cc1ccccc1CN1CCN(CCO[C@@H](c2ccccc2)c2ccccc2Cl)CC1 22588434 VEVSKUJZSMGTMM-MHZLTWQESA-N 435.011 5.572 0 40 IKAB biogenic,in-man C[C@H]1CCCN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 22851838 LZWZYLRIDMBKKK-GUYCJALGSA-N 428.945 5.231 0 40 IKAB CCc1cccc(CC)c1-n1c(SCc2nc(C(C)C)no2)nnc1-c1cccnc1 25048797 CSJFJCZXSDVFMS-UHFFFAOYSA-N 434.569 5.253 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1sc(-c2ccco2)nc1-c1ccccc1 29597400 CEJUIHGKNUMUIJ-UHFFFAOYSA-N 429.501 5.449 0 40 IKAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 32622153 APIMFPSTLHMYFS-FQEVSTJZSA-N 430.335 5.215 0 40 IKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2c(=O)n1CC(C)C 32984666 GOSLUPZSCDUAJY-UHFFFAOYSA-N 439.968 5.962 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5Cl)nc4c3)o2)cc1C 34687669 ZRFBQPNRZNGLBB-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CC(C)[C@@H](NC(=O)Cc1csc(-c2ccsc2)n1)c1ccc2c(c1)OCCCO2 39984353 NUSWDHITESHHGL-OAQYLSRUSA-N 428.579 5.089 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 44884924 GIFQCJPVDUVVMU-UHFFFAOYSA-N 448.588 5.496 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 57315634 VPEOPSQALQTRCR-UHFFFAOYSA-N 448.529 6.399 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2nc3ccccc3s2)cc1 57315718 FZLAIDIRHIGWCU-BMRADRMJSA-N 436.536 6.553 0 40 IKAB CCc1ccc(C(=O)NC(=S)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57316619 URELPSLSCYIOPI-UHFFFAOYSA-N 443.366 5.076 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)c1 58149324 ADCWZOHNRCCLQQ-AREMUKBSSA-N 429.564 5.171 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 59294195 CZKODDHPHRZJGH-UHFFFAOYSA-N 448.331 5.274 0 40 IKAB O=C(NCc1cc(F)cc(F)c1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038072 HYGMHOHCBWPTHP-UHFFFAOYSA-N 428.442 5.000 0 40 IKAB COc1ccc2c(C)c(CCC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)c(=O)oc2c1C 96221599 BVOGNRVYHQHJAS-QFIPXVFZSA-N 444.531 5.026 0 40 IKAB biogenic CCn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 106715732 GEZMWBSNUAMKRM-GRSHGNNSSA-N 431.344 6.205 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 222751300 DWUCYKBUMUBZRQ-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 222925007 QWFVBVGKAIDAAO-DEOSSOPVSA-N 445.563 5.105 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222930456 IHIQGDJFWSBKLR-RTWAWAEBSA-N 444.526 5.520 0 40 IKAB CCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223050433 DHBMQPIOOLCJKB-XMMPIXPASA-N 434.967 5.006 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224306743 BFQITBFBLBDUSF-UHFFFAOYSA-N 439.555 7.022 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224324988 DSWZTJOYEZLFDG-DNQXCXABSA-N 425.561 5.007 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224350589 BQIUVGWDDFACEH-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224517582 DHICINDKMWLSOG-NRFANRHFSA-N 433.017 5.012 0 40 IKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 224733490 SXGPTEZMBCSARR-UHFFFAOYSA-N 446.366 5.243 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c(OC)c1 224823106 CTEOUEUBWOGZBW-ZEQRLZLVSA-N 448.592 5.193 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 225164658 XINLMLVQDLGTPJ-DEOSSOPVSA-N 440.653 5.179 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225246625 BSTONTKLHNOBIY-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225345008 BBRNRHFCLZITHW-CABCVRRESA-N 439.358 5.007 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)O2 225673876 ZQTGFFFBXZCLHK-MRXNPFEDSA-N 428.907 6.256 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)s2)cc1 225848525 KQLBVLXJAKMOKJ-SFHVURJKSA-N 426.973 5.018 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3)cc2)C(=O)N1CCCc1ccccc1 409135956 VITNZCZQFXFMIT-HKOYGPOVSA-N 429.541 5.935 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1 409361871 QCOJIFVBHVEXOA-UHFFFAOYSA-N 426.611 5.079 0 40 IKAB CC(C)C(=O)N1CCCCCCCNCc2cc(NCc3cc(F)cc(F)c3)ccc21 643576488 MHTZORAETOTELN-UHFFFAOYSA-N 429.555 5.620 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3cnccc23)CC1 2037845511 GZYKRXAPFKJXRK-HXUWFJFHSA-N 437.547 5.253 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4cccc(Br)c4)c(N)c3cc2C1 661773 FUCZERKARCOTKJ-LLVKDONJSA-N 430.371 5.408 0 40 IKAB COc1cc([C@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc(OC)c1OC 946574 PJJYGEFXYJODEM-NRFANRHFSA-N 432.925 6.065 0 40 IKAB Fc1ccc(-c2nc(-c3c[nH]c4ccc(Br)cc34)[nH]c2-c2ccccc2)cc1 1064132 AORMSLQVQCQSJU-UHFFFAOYSA-N 432.296 6.794 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(OC)cc3)cc2)cc1 1099941 JQTFGUINQHGGQB-ZEELXFFVSA-N 428.488 5.008 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327199 JUSJQHWIPLXXEW-UHFFFAOYSA-N 447.485 5.603 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(F)cc1 1338597 UXGNFPPQQNYEJC-QFIPXVFZSA-N 435.572 5.421 0 40 IKAB CC(C)NC(=O)OCc1c(COC(=O)NC(C)C)c(-c2cccc(Cl)c2)n2c1CCC2 1583543 OSAJEVJIOZEKFM-UHFFFAOYSA-N 447.963 5.024 0 40 IKAB Cc1c(OC/C=C/c2ccccc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2130474 ZKUCXDPVDZALCE-JXMROGBWSA-N 436.463 5.967 0 40 IKAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1nc2ccc(F)cc2s1 2197770 DIJROBBWRNGMJJ-HXUWFJFHSA-N 428.444 5.292 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2426602 LZMZNQMMORDTJC-NRFANRHFSA-N 446.528 5.405 0 40 IKAB CCc1ccc(OCc2nc(-c3ccc(Br)cc3)no2)c(Br)c1 2429717 MWWODKQNYUGPMV-UHFFFAOYSA-N 438.119 5.403 0 40 IKAB CCCN(Cc1ccc(Cl)cc1Cl)C(=O)c1cnc(Cl)cc1C(F)(F)F 2556140 UDNZWIGJPRVQDF-UHFFFAOYSA-N 425.665 6.113 0 40 IKAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)Nc3c(F)c(F)c(F)c(F)c3F)cc12 2762684 LHRJBPXFYTXMRL-UHFFFAOYSA-N 444.403 6.254 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)Cc2ccccc2)c(C(=O)c2ccccc2)c1 3223858 BYKLRAXJPVEUQL-UHFFFAOYSA-N 448.522 5.660 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(F)c(Cl)c1 3253464 CMQKRDLCVVZUMK-UHFFFAOYSA-N 433.888 5.402 0 40 IKAB CC(C)N(C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccccc1 3263584 YLZYIHLQVFEQKO-UHFFFAOYSA-N 430.529 5.562 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3278957 YSWXVNAAXBMGNV-UHFFFAOYSA-N 443.999 7.475 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(OC(F)F)cc4)c23)C1 3371014 ZYNKWXKHFHHGBB-LLVKDONJSA-N 435.521 5.148 0 40 IKAB Cn1c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3n(C)c2=O)nc2ccccc21 3770963 MQPFWMNCLTVDKJ-UHFFFAOYSA-N 431.948 5.897 0 40 IKAB Cc1cc(C)n(-c2nnnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCCC4)n1 8450766 MMJIAYIEBKLVRN-UHFFFAOYSA-N 446.967 5.636 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 8722376 GMDGXPSKSJFLLN-JEOXALJRSA-N 443.366 5.750 0 40 IKAB CCc1cc([C@@H](c2cccc(OC)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 8763673 JNSFDOUEQSRXMR-XMMPIXPASA-N 434.605 6.147 0 40 IKAB CCOc1ccc2nc(NC(=O)CCC(=O)OCC[C@@H](C)CCC=C(C)C)sc2c1 8781088 TUHHOBXJBIUBFT-KRWDZBQOSA-N 432.586 5.730 0 40 IKAB CCOc1ccc(NC(=O)Nc2nc(-c3ccc(Oc4ccccc4)cc3)cs2)cc1 8872443 CWOHJFBYCARWDV-UHFFFAOYSA-N 431.517 6.645 0 40 IKAB O[C@H](COc1ccccc1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 9244803 XBHJIMQNBYEHJC-FIPFOOKPSA-N 444.619 5.822 0 40 IKAB O=C(Nc1ccccc1N1CCOCC1)c1oc2ccccc2c1COc1ccccc1 9283737 WTSVDZPUGJMAKB-UHFFFAOYSA-N 428.488 5.101 0 40 IKAB Cc1c(Cl)cccc1Nc1nnc(S[C@H](C)c2nc(-c3ccncc3)no2)s1 9389831 VAIAVMAKCUZDGJ-LLVKDONJSA-N 430.946 5.542 0 40 IKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1nc2ccccc2s1 9391689 ORMSNWURNVARKT-UHFFFAOYSA-N 429.570 6.030 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc23)cc1 9413825 MYPQTTYUUISDEA-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB CCc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2)cc1 9498722 LRWZYXWWSLZINR-KRWDZBQOSA-N 428.561 5.820 0 40 IKAB Cc1sc2nc(-c3cccnc3)nc(NCCCN3CCCC3=O)c2c1-c1ccccc1 9545807 TYZSMQNJSMERIP-UHFFFAOYSA-N 443.576 5.153 0 40 IKAB Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 9675874 IQJFCCRKYOCKAH-UHFFFAOYSA-N 436.259 6.281 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccco2)cc1 12391510 RTXZADOFMSVRLG-UHFFFAOYSA-N 426.538 5.207 0 40 IKAB COC(=O)c1cc(NC(=O)C[C@H]2CCc3ccccc32)c2oc(Cc3ccccc3)nc2c1 12417764 LVMHSBGMGWVISV-LJQANCHMSA-N 440.499 5.264 0 40 IKAB Cc1ccccc1OCCCn1c(COc2ccc(C(C)(C)C)cc2)nc2ccccc21 12463133 YWFKBUQENNHQBA-UHFFFAOYSA-N 428.576 6.690 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(Cl)cc1)=N2 12486138 GJUDVGPFSAEEIX-UHFFFAOYSA-N 435.911 5.190 0 40 IKAB Cn1c(CN[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 12506992 DHOWYTAKIWCGKE-JOCHJYFZSA-N 438.453 5.062 0 40 IKAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F 12541776 WSUTWKQLUQGFQQ-UHFFFAOYSA-N 435.427 5.150 0 40 IKAB C[C@H](Sc1nccc(C(F)(F)F)n1)C(=O)Nc1ccccc1Sc1ccccc1 12762211 FCHQOTCGFGWSGY-ZDUSSCGKSA-N 435.496 5.766 0 40 IKAB Fc1ccc(OCc2nnc(SCc3nc(-c4ccccc4)c4ccccc4n3)o2)cc1 12921762 WJRHPDDNEGFEQL-UHFFFAOYSA-N 444.491 5.690 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5C)no4)c(=O)c23)cc1C 12995411 YBBJGXQRQJCLHV-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB Cc1nc(S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C2CCCC2)c1C 13097923 HBQFVILDRDHGOP-VWLOTQADSA-N 429.589 6.813 0 40 IKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@H]1c1cccs1 13128636 ZOYMZNOFKBLQOQ-QFIPXVFZSA-N 426.545 5.689 0 40 IKAB Cc1cc(NC(=O)CCN2c3ccccc3Sc3ccccc32)ccc1Br 13129223 PSIFJPFIDXGUPR-UHFFFAOYSA-N 439.378 6.389 0 40 IKAB CC[C@@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 13764675 NTPVNNGNFGYPRG-FBQMUFCQSA-N 426.604 7.212 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccc3Cl)ccc2Cl)cc1 14153910 SUZNLAQVGRUXQW-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3ccccc3n2)cc1OC 14380599 KJPBHTUXIFYZIM-UHFFFAOYSA-N 448.548 5.221 0 40 IKAB O=C1c2ccccc2N[C@H](c2cccc(Cl)c2Cl)N1c1cccc(C(F)(F)F)c1 15303915 WUQZEWTUYPDDIM-IBGZPJMESA-N 437.248 6.783 0 40 IKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2cccc(F)c2)o1 16039306 AOZRINSAAVCDFF-GOSISDBHSA-N 429.517 5.310 0 40 IKAB CCCNC(=O)[C@H](C)Sc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1C 16731675 XSVVCLSRFOOMES-KRWDZBQOSA-N 445.592 5.013 0 40 IKAB COC(=O)c1sc2ccccc2c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 16837260 WRYWUQPEOBTYSD-UHFFFAOYSA-N 444.537 6.217 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 16841707 MIMHQFDTXILGSM-UHFFFAOYSA-N 436.968 5.651 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3nc(-c4ccccc4)cs3)n2)c1 19630047 AXTJAJWEIFTINL-UHFFFAOYSA-N 439.540 6.347 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688149 VKZJKTOZIGTGKK-HSZRJFAPSA-N 432.539 5.159 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3[nH]nc4c3CCCCC4)c2)cc1 19690702 FOEHQFJWVCJAMX-XMMPIXPASA-N 430.552 5.035 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCCN2Cc2cnn(C)c2C)n1 19690877 JPVDFYCOJYINLB-HSZRJFAPSA-N 428.502 5.379 0 40 IKAB COc1cc(NC(=O)C2(c3ccc(C)cc3)CCCC2)ccc1NC(=O)c1cccs1 20096503 LJMQEXWSRWXSJS-UHFFFAOYSA-N 434.561 5.768 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)c1 20106627 SBIUQWFFYYABGM-UHFFFAOYSA-N 444.556 5.439 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(C(C)C)cc4)ccc3o2)cc1OC 20411999 XIZKZMILAPTMDU-VGOFMYFVSA-N 442.515 6.287 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 20488249 AOUJAWCHNHKSLD-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)C(C)(C)Oc1ccc(C(C)(C)C)cc1 21596136 SGLSWZRHHYRJDS-UHFFFAOYSA-N 442.559 6.897 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(NCc2ccccc2)n1 22375414 SZAFXSDODIEQBD-SJORKVTESA-N 437.565 5.453 0 40 IKAB C=C/C=C\C(=C/C)c1cn(-c2ccc(C)cc2)c2ncnc(NCc3ccc(OC)cc3)c12 26580398 PHPIGQXZGBNOFF-GHGRUSQESA-N 436.559 6.495 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(Cl)cc4)c3)nc2c1 27136759 PNUHRWLZGDIPGI-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB COc1cc(CN(C(=O)c2oc3ccc(C)cc3c2C)c2ccccn2)cc(OC)c1OC 28292610 XRIFMWBGIGXZOG-UHFFFAOYSA-N 446.503 5.317 0 40 IKAB Cc1c(Br)ccc(NC(=O)Cn2ccc3cc(Br)ccc32)c1C 32124836 LMCBDBMZGRNPKL-UHFFFAOYSA-N 436.147 5.422 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(Br)c([N+](=O)[O-])c3)SC2=S)cc1 32789372 DGQCNDQKGHDKCO-OQLLNIDSSA-N 435.324 5.072 0 40 IKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc12 32986735 CCNODTSDJSUNMO-UHFFFAOYSA-N 440.499 5.268 0 40 IKAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4cccc(Cl)c4)c23)C1 33012188 LEVOLBVQAUMCJO-CQSZACIVSA-N 429.973 5.094 0 40 IKAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)c(Cl)c1 33454222 PGVQEJPRHXGNGA-UHFFFAOYSA-N 438.380 5.793 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 34352894 JVRUDYNTKOCRNP-RLRFXSNCSA-N 436.592 6.107 0 40 IKAB biogenic O=C(Nc1cccc2ccccc12)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 38754624 NWAXBBHMCUNCET-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB COCc1nn2c(c1-c1ccccc1)N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl 44918280 KHILFAOWOHQRJF-QGZVFWFLSA-N 445.306 5.175 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(Cl)c1 49005018 YSXKNLHFJFQEMT-KRWDZBQOSA-N 438.959 5.749 0 40 IKAB Cc1ccc(Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)c(Br)c1 64471916 GGCLTJFCWKUCMJ-UHFFFAOYSA-N 442.332 5.815 0 40 IKAB CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2nccs2)cc1 67294913 OJRAYBRBZLOSQJ-GFMRDNFCSA-N 425.897 5.426 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)C(C)(C)c2cccc(F)c2)n1 72372725 AFJMBFIJMYZFKG-OAQYLSRUSA-N 438.572 5.679 0 40 IKAB C[C@@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 100148925 GTNLCMPDTPMAER-MHZHKKNFSA-N 432.475 5.615 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 100558487 JQJMUQPBYFANTJ-VJBWXMMDSA-N 429.318 6.448 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1OC 102730286 PDBSHOLBDQLWPN-HJPURHCSSA-N 446.503 5.617 0 40 IKAB CCOC(=O)c1cc(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)ccc1Cl 216334051 QLBXHIDTQHMCLU-RCCKNPSSSA-N 435.907 5.705 0 40 IKAB CC[C@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 219775214 HSBIBDAKVKKINP-NRFANRHFSA-N 439.939 5.817 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 222857651 LRQDSSQFSXGLQF-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222985614 JGBBAFHIRJQOEU-FGZHOGPDSA-N 425.985 6.076 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223320621 XKJDAOVELDKNRZ-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 223976432 ICFWWKKWEPNHOL-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB Cc1nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c(Cl)cc1Cl 223985834 BZSBEYJRSPEEAY-UHFFFAOYSA-N 428.816 6.149 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 224706487 NYOSVEGQOKVKHT-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)ccc1F 224895152 WKOYWQRHAKSBLQ-DHIUTWEWSA-N 432.524 5.149 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225193594 GWZYECGUHCVSGL-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB S=C(NCCCSCc1ccccc1)Nc1ccc(Br)c(Cl)c1 225597972 QQLRSMYMCDQILS-UHFFFAOYSA-N 429.836 5.712 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 257296207 RBSBXPPBZSSJIS-JOCHJYFZSA-N 443.566 5.691 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1 257327464 XBLLARWDERKNQG-HXUWFJFHSA-N 446.526 5.251 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 408617459 AMTKOIYECYDMTN-URFUVCHWSA-N 448.349 5.738 0 40 IKAB O=C(O)/C(=C/c1cc(Br)c(N2CCCCC2)o1)Sc1nc2ccccc2o1 408633001 ITKFYEBRWMUHLK-WJDWOHSUSA-N 449.326 5.391 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)o1 408637985 OYXCRNFBAADSFB-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408647358 WXYGQIUKEFXLIC-IBGZPJMESA-N 430.504 5.096 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(Cl)ccc3C)n2)c1 408698572 ODUZGRBWPVCFOY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c1 408699765 WBIXQYGKLHEZBZ-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccc(C)cc4)cc3s2)cc1 408749183 FHFUTVYUDTXVET-UHFFFAOYSA-N 432.570 6.140 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 408998582 MILGJWGKOLGBSG-QHCPKHFHSA-N 447.922 5.468 0 40 IKAB CCN(CC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(C)c(C)c1 409200689 JSSYLPCFKAJDLP-UHFFFAOYSA-N 428.989 5.165 0 40 IKAB CC(=O)N1CCCCCCN(C(=O)c2cccc(Br)c2)Cc2ccccc21 643589524 VXIVHMOPXNEAFJ-UHFFFAOYSA-N 429.358 5.018 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(OC)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872753 KLXYXGBWHWJCAF-AWAHEQQVSA-N 440.536 5.045 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1Br 830093 KYBNXFXPSXTKBJ-UHFFFAOYSA-N 436.309 5.643 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 866865 RRBJRSVJBNKOIJ-AAEUAGOBSA-N 445.228 5.696 0 40 IKAB Fc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 877810 NNHAZVFTWXJDIH-IBGZPJMESA-N 432.952 5.154 0 40 IKAB COc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2SCc2ccccc2)cc1 907125 ZYNJYXQQMSPSFK-UHFFFAOYSA-N 449.605 5.267 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919575 QYUVWDDMYYQMPU-QFBILLFUSA-N 426.398 5.542 0 40 IKAB COc1ccc(OCc2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1 925181 GZEIYFUSILUGMI-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB Cc1cc(C)c2nc(-c3ccc(Br)cc3)cc(C(=O)NCc3ccco3)c2c1 993134 KHQCPLUBPABIBH-UHFFFAOYSA-N 435.321 5.804 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3)cc2c1 1327655 CGPZGOLCWMKKOH-UHFFFAOYSA-N 433.533 5.223 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NC3CCCCC3)cc2c1 1371559 BXMGVOZRSVYQPS-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1 1744249 HDSKFYUHRHIQTJ-OUKQBFOZSA-N 436.507 6.517 0 40 IKAB C[C@H](Oc1ccc(Br)cc1Br)C(=O)Nc1cccc2ccccc12 2061730 XWXKSINTUGKDJO-LBPRGKRZSA-N 449.142 5.771 0 40 IKAB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)c(OC)c1 2087686 JNSMSGKEJNFEBA-YADHBBJMSA-N 426.310 5.697 0 40 IKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1cccc(Br)c1)CO2 2112696 XTMQVHZQAWVTSB-UHFFFAOYSA-N 448.316 5.887 0 40 IKAB biogenic COP(=O)(OC)[C@H](OC(=O)Nc1ccc(C)c(Cl)c1)C(Cl)(Cl)Cl 2144679 KKBSKHLDQZQHQQ-JTQLQIEISA-N 425.032 5.379 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4cccc(F)c4)o3)ccc21 2184313 HDLUYBFPWRIPPL-UHFFFAOYSA-N 446.507 5.734 0 40 IKAB aggregator C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 2270659 IMXMXLISOJEASL-SNVBAGLBSA-N 448.297 6.542 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)c1 2298699 UMWOGTVLCQERFL-UHFFFAOYSA-N 425.536 5.085 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccc(Cl)c1 2346251 KEIGMJCHZLVYHX-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 2407597 NHXBDJMDBVFMGQ-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB CC(C)(C)c1cc(C(=O)Oc2cccnc2Cl)cc(C(=O)Oc2cccnc2Cl)c1 2567074 QJXIPJNUEQEJTN-UHFFFAOYSA-N 445.302 5.519 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3300149 RJJFPBKJEBMPKK-INIZCTEOSA-N 445.519 5.758 0 40 IKAB CCOC(=O)COc1ccc([C@@H](CC)[C@H](CC)c2ccc(OCC(=O)OCC)cc2)cc1 4769052 SBZLDGZXZCEWMB-DNQXCXABSA-N 442.552 5.258 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 6134684 SISIKAFUXWVUBL-KRWDZBQOSA-N 440.678 6.736 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCCC1 6135488 ZJINWFIPBYBKLV-UHFFFAOYSA-N 433.621 5.931 0 40 IKAB COc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Cl)cc3)C2)cc1 6924933 AGZSEZUQYDOITD-JOCHJYFZSA-N 430.857 6.723 0 40 IKAB COc1cccc([C@@H]2CC(c3cccs3)=NN2c2ccc(Br)cc2)c1OC 8396907 QOVKSZRHXJPLKJ-SFHVURJKSA-N 443.366 5.884 0 40 IKAB C[C@H](c1ccc(-c2ccccc2)c(F)c1)c1nn2c(COc3ccc(F)cc3)nnc2s1 8398707 IYLRUJZDTMEBNN-OAHLLOKOSA-N 448.498 5.862 0 40 IKAB Clc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 8411635 CDIIOLDSPVZPFK-NRFANRHFSA-N 428.782 7.460 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O 8587119 GRTRYBYFCXENDA-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8656871 CBQQSPIKWJXYMZ-OAQYLSRUSA-N 425.532 5.334 0 40 IKAB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccccc3Cl)=NN12 8837188 HPWJZRONDPQFTE-LJQANCHMSA-N 446.776 5.068 0 40 IKAB CCCc1oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCC 8870338 LECTYQLQFPXDDE-UHFFFAOYSA-N 443.565 5.596 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1C 9064519 WDFDGHXXBDZDQZ-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1cc(F)ccc1F 9125082 VGGHBACBRBRNKQ-UHFFFAOYSA-N 429.926 5.326 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1ccc2c(c1)OCO2)C1CCCCC1 9187453 CFGAWXVJLCJIAZ-UHFFFAOYSA-N 425.868 5.361 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C3=O 9239930 YDQQCDGZVWKUHV-NRFANRHFSA-N 430.891 5.204 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9281328 NCIUTMWDFUVRQE-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCCCCCSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 9282723 POHDLAWDZFPBBN-UHFFFAOYSA-N 433.646 7.458 0 40 IKAB Clc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 9296272 KPMHFWLHAGYLEL-UHFFFAOYSA-N 443.359 5.807 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1)c1ccc(Cl)cc1Cl 9327967 PXAUMROXMCMBGS-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(F)c2)oc2ccccc12)c1ccccc1Cl 9518388 KERROWBAJCWIMQ-UHFFFAOYSA-N 426.806 5.869 0 40 IKAB CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9525787 VPRQMMMDVLJJOR-UHFFFAOYSA-N 444.918 5.913 0 40 IKAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C 9595097 OVIOOICEMHHKHQ-AWEZNQCLSA-N 441.582 5.465 0 40 IKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1F 9606411 AHYBOYAIXOFAQI-FQEVSTJZSA-N 429.829 6.317 0 40 IKAB COc1cccc(-c2cnc(NCc3ccc(OC)c(OCc4ccccc4)c3)n2C)c1 9805805 FUGPZCQNLZMQJX-UHFFFAOYSA-N 429.520 5.295 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 9983795 DREYXNYKDQLZTQ-UHFFFAOYSA-N 426.611 5.475 0 40 IKAB CCc1ccc(N[C@H](CC(=O)c2ccc(C(C)(C)C)cc2)c2ccc(SC)cc2)cc1 12413405 GHPPBEQDNXYZNH-AREMUKBSSA-N 431.645 7.695 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 12475053 JBCHNYLHGSUKCU-HHHXNRCGSA-N 443.591 5.200 0 40 IKAB O=C(c1cc(-c2nc3ccccc3s2)c2nc3ccccc3n2c1)c1cc(F)ccc1O 12546431 MSCMSKMTSLHEGZ-UHFFFAOYSA-N 439.471 5.840 0 40 IKAB CC(=O)N1CCc2cc(NC(=O)CSc3nc4ccccc4n3C3CCCCC3)ccc21 12628650 OPMDWPBYEFVBFQ-UHFFFAOYSA-N 448.592 5.181 0 40 IKAB COc1cc(SC)ccc1C(=O)N[C@H](Cc1nc2ccccc2n1C)c1ccccc1 12628687 HIGAKEDMWRBMLJ-OAQYLSRUSA-N 431.561 5.018 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@H]32)C1 12662382 JVRUDYNTKOCRNP-ATRVUWAVSA-N 436.592 6.107 0 40 IKAB biogenic Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 12857631 BEKMSLJVVDSZEX-UHFFFAOYSA-N 449.923 5.635 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1csc(Cc2cccc(C(F)(F)F)c2)n1 12956758 WNZAXQUXMZVHDW-UHFFFAOYSA-N 431.266 6.312 0 40 IKAB CN(Cc1ccccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1)C1CCCCC1 12984991 BTVGXADLDLPVHW-UHFFFAOYSA-N 431.536 5.549 0 40 IKAB COc1cc(/C=C/C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc(Cl)c1OC(C)C 13095730 VQJILMLVCPTURK-HQWZXOHUSA-N 439.943 5.212 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)c3ccccc3)cnc2n1Cc1ccc(Cl)cc1 13509787 ATUUHMNCCVNDEV-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3Cl)n2)cc1 13960827 ZPSAISUFUMFXLE-UHFFFAOYSA-N 434.153 7.820 0 40 IKAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)C(=O)Nc1ccc(Cl)cn1 14184808 NEEZFOATUCOYHA-MNOVXSKESA-N 434.974 5.091 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 14271861 JYEWKJORDLODEE-UHFFFAOYSA-N 446.016 5.492 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cc(Cl)cc(Cl)c3OC)cc2Cl)CC1 16681528 KMKUDPVZGYADDU-UHFFFAOYSA-N 442.774 5.050 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccc(F)cc1 16788717 OCVILBFYOCDGNI-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccccc3Br)cc12 16993243 QRXRPDIRYWERRV-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB biogenic O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 17094318 AKOXUXGHCXZMMV-KPKJPENVSA-N 425.340 6.922 0 40 IKAB Fc1ccc(C(CCCN2CCN(CCNc3ccccc3)CC2)c2ccc(F)cc2)cc1 19364169 ITBCJAOQRBZXQE-UHFFFAOYSA-N 449.589 5.607 0 40 IKAB in-man CCOc1cc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)ccc1OC 19531974 OJHIHXPKRWCTPN-MRXNPFEDSA-N 431.483 5.256 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CCCC4)o2)cc1Cl 19632976 VHDGPTHTDAERTQ-PKNBQFBNSA-N 440.952 5.600 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1Cl 19633149 YMZJAOFZIYRPKD-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB C[C@]1(C2CCN(C(=O)CCc3ccccc3)CC2)CCCCN(CCc2ccccc2)C1=O 19696190 JBQQMJWIEYSRDD-GDLZYMKVSA-N 446.635 5.119 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1cc(Br)ccc1Cl 20138505 XXEALKMWAYVKLH-UHFFFAOYSA-N 441.108 5.761 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 20145016 NYWNPSKVGCYKQO-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(Cl)c5)o4)cc3n2)cc1 20609972 ZIWBURBVDFIARD-UHFFFAOYSA-N 442.906 6.203 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(SC)cc1 21005533 NXXPFXILZAXDNU-DEOSSOPVSA-N 441.556 5.748 0 40 IKAB O=S1(=O)N=C(SCc2ccccc2Cl)N(Cc2ccccc2)c2ccccc21 21117534 KOGPQFKBUZXHOW-UHFFFAOYSA-N 428.966 5.338 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc23)cc1 24483410 HWXFOWKAPSJQIW-XMSQKQJNSA-N 430.379 5.066 0 40 IKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc2ccccc12 32127565 YHEHELVHFDSCFS-UHFFFAOYSA-N 432.357 5.883 0 40 IKAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCC(c2nc3ccccc3s2)CC1 32622221 WLLQCTBXHZIAFK-UHFFFAOYSA-N 443.572 5.850 0 40 IKAB Cc1ccc(-n2nc(-c3ccccc3Cl)c(Cl)c2-c2ccccc2Cl)cc1Cl 36611285 QSUPSAQRMJDGGI-UHFFFAOYSA-N 448.180 8.128 0 40 IKAB CSc1cccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c1 41076841 JQDCNNGQXVYZCB-UHFFFAOYSA-N 433.602 5.846 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 44856516 NUUOEDHJRNWRCX-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB CC(C)C[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 44936876 AACSPUKPGGYRBS-QHCPKHFHSA-N 433.423 6.109 0 40 IKAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)Nc1ccc3[nH]ccc3c1)C(=O)OC2 62001674 JIMJQPUHYBANGD-PJQLUOCWSA-N 448.519 5.072 0 40 IKAB biogenic Cc1cc(C)n(-c2ccc(CNC(=O)c3nc(Cl)ccc3Cl)c(C(F)(F)F)c2)n1 63333244 CLZTTWYXIICVLP-UHFFFAOYSA-N 443.256 5.140 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc2c(c1)OCCO2 67294484 GSXNUOAYTDSOOR-PNHLSOANSA-N 432.863 5.342 0 40 IKAB O=C(C1CCCCC1)N1CCC2(CC1)C[C@@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327332 IJTSKMATKIOWSA-VWLOTQADSA-N 439.987 5.113 0 40 IKAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](c1ccc(Cl)cc1)c1cccs1 84064802 GXYXUDBGQADPEZ-MRXNPFEDSA-N 426.954 5.143 0 40 IKAB CC(C)(C)OC(=O)N1CCC([C@@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)CC1 91302568 TVGSNCABPGIPSN-QFIPXVFZSA-N 436.552 5.574 0 40 IKAB in-vitro O=C(NCc1ccc(F)c(F)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037731 DNVKYZFUCDXVJR-UHFFFAOYSA-N 444.485 5.230 0 40 IKAB COc1ccc(C2(C(=O)N[C@@H]3CCCc4c3[nH]c3c(Cl)cccc43)CCOCC2)cc1 96114671 IMXUHUCCCXSVBG-OAQYLSRUSA-N 438.955 5.072 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)Nc3nc(-c4ccccc4C(F)(F)F)ns3)no2)cc1 96346163 DAIBBKIUHDHYAD-UHFFFAOYSA-N 446.410 5.140 0 40 IKAB COc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccc(C)cc23)cc1 101379397 QIZKNTYLMJXOHR-ORIPQNMZSA-N 445.632 6.491 0 40 IKAB CCOc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O 102678694 YRRGIRMXBSLSSV-KBMIEXCESA-N 444.535 5.571 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cc(F)cc(F)c2)C[C@H](c2ccco2)C1 102702085 QMJPXRTYIUZVBT-XYZCENFISA-N 436.340 5.233 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(-c5ccccc5)cc4)=NN32)cc1 105833355 MCMCHPQIQKPIKU-XCZPVHLTSA-N 436.942 7.249 0 40 IKAB COc1ccc(C(=O)[C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN23)cc1 106937197 YYVKVFVTWZCTOS-DHLKQENFSA-N 448.906 5.110 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1ccccc1 107027762 WJZYQZAOEVVKGD-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB Cc1ccnc(N(C(=O)OC(C)(C)C)c2ccc(Br)cc2C(F)(F)F)c1 199715805 MJUXGNZTYOBUFU-UHFFFAOYSA-N 431.252 6.245 0 40 IKAB Cc1ccc(-c2nn3c(C(F)(F)F)cc(-c4ccccc4)nc3c2Br)cc1 215881079 MVOXMTUPFQFCMR-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)cc1 222544522 GBHMVJNYZXYLBS-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)CC(C)(C)O2 222732039 DRDUTOVVYLWZOM-SFHVURJKSA-N 440.392 5.654 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223704497 ZYMPMJAUOBQQLA-HSZRJFAPSA-N 426.626 5.201 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1c1ccccc1 224158387 MVMAJNLYHKQXGQ-PKTZIBPZSA-N 430.964 5.703 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224199342 SLDGFFNGOWFKJC-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224365278 LQKGRAKDFQNSJB-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225424775 GLNPEMMPYGFBII-QFIPXVFZSA-N 447.044 5.198 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225636563 SUNZWMXKUGAPDE-VGOFRKELSA-N 449.422 5.648 0 40 IKAB C[C@H](NC(=S)Nc1nc(N2C[C@H](C)C[C@@H](C)C2)cc(C(F)(F)F)n1)c1ccccc1 225963592 HLRMOTNOLGAHJV-KFWWJZLASA-N 437.535 5.025 0 40 IKAB Cc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)ccc1N 226303177 YHPZUECOGGXBMM-UHFFFAOYSA-N 439.397 6.060 0 40 IKAB C[C@H]1CCC[C@H](OC(=O)c2cc(Cl)c(Cl)c(-c3cc4ccccc4oc3=O)c2)C1 226357742 XIWOIPGKTNLKLD-BBRMVZONSA-N 431.315 6.502 0 40 IKAB CCn1cc(CN2CCC(c3ccc(Cc4ccc(C(F)(F)F)cc4)cn3)CC2)cn1 257263542 LQKSDIPPUVRVAC-UHFFFAOYSA-N 428.502 5.287 0 40 IKAB COc1ccccc1-c1cccc(CN2C[C@@H](c3ccccc3F)[C@@]3(CCCC(=O)N3)C2)c1 257304744 SMZNWSMDAAEBIH-RBJSKKJNSA-N 444.550 5.140 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(I)cc1F 408576199 VSFVICBBGHCLFZ-DHZHZOJOSA-N 433.220 5.342 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc1OC 408617416 CGBIXJCLRBMRBF-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1Cl 408646153 TVFVJVHBECGRON-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 408674748 CAHVHSNSINKWPJ-UHFFFAOYSA-N 426.516 5.752 0 40 IKAB O=C(Nc1ccccc1F)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704560 POUKWZYZEOSGPA-QHCPKHFHSA-N 440.927 5.506 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1Cl 408871944 ZXJGCGRTWJLHSF-UHFFFAOYSA-N 432.995 6.355 0 40 IKAB COc1ccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)cc1 408969716 SJMHKFQTNPSSJJ-MLPAPPSSSA-N 438.719 6.215 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409020417 PAZGPZTZPHORKI-HIQXPHMNSA-N 447.556 6.262 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409179088 JWYXKJVPMDWHAP-UHFFFAOYSA-N 425.868 5.331 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 409383147 ZQSOUPOBIKUURU-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC[C@H](C(=O)N1CCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21)c1ccccc1 643561866 CNANFUHNEQEZRH-FBILRYNDSA-N 448.607 5.265 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccccc1C(F)(F)F 825591127 GQOBRAKSMXFLIL-UHFFFAOYSA-N 446.816 5.516 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(OC(=O)C3CCC(C(C)(C)C)CC3)cc2)cc1 1505840702 SLNLZGYZNSFQLN-UHFFFAOYSA-N 436.592 6.961 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(C)(C)C)CC[C@H]1C(=O)Oc1ccc(I)cc1 1505840710 SXCNJZUGLYFXKJ-OLMNPRSZSA-N 442.381 6.321 0 40 IKAB CSc1nnc2c(n1)O[C@H](c1cccc3ccccc13)N(C(C)=O)c1ccc(Cl)cc1-2 684877 FYTFISSWXIOFCK-JOCHJYFZSA-N 448.935 5.511 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccccc1)Nc1cccc(Cl)c1 863707 DTTYETOWKYXTEI-UHFFFAOYSA-N 434.952 5.242 0 40 IKAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)cc2c1 1254482 SFNLIWZDOFLBGF-QFIPXVFZSA-N 445.906 5.790 0 40 IKAB Cc1nc2cc(Cl)c(NC(=O)C3CCCCC3)cc2c(=O)n1Cc1ccc(Cl)cc1 1360592 VGDIRAUUBITQKD-UHFFFAOYSA-N 444.362 5.579 0 40 IKAB COc1ccc(CCn2sc3c(c2=S)-c2cc(C)ccc2NC3(C)C)cc1OC 1418660 TYIITBFHDBADFC-UHFFFAOYSA-N 426.607 6.175 0 40 IKAB O=C(Nc1nc2c(Cl)cccc2s1)c1cc(I)ccc1Cl 1427127 CMVXUCDIOPILGM-UHFFFAOYSA-N 449.100 5.460 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 1435731 ZDGZRGTXGXIKLI-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(NC(C)=O)cc4)ncnc32)cc1 1447648 PAUAMTOHSHEHOB-UHFFFAOYSA-N 449.514 5.798 0 40 IKAB O=c1c(-c2ccccc2)c2oc(c1-c1ccccc1)CSCc1cccc(c1)CSC2 1631638 QLGYOULSFXHXRT-UHFFFAOYSA-N 442.605 7.154 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4cccc(OC)c4)ccc3c2=O)cc1 2157609 KFHDEYXDVYARNN-UHFFFAOYSA-N 446.455 5.350 0 40 IKAB biogenic COc1cccc([C@@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)c1 2346325 BFRTXVMZVFEHEV-QFIPXVFZSA-N 425.315 6.086 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1ccc(-c2cc3ccccc3oc2=O)cc1 2407890 UPXFEGAHZYZMLU-UHFFFAOYSA-N 431.447 6.612 0 40 IKAB Clc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 2453973 IFJXAAFVTCMOFO-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c1C 2645605 YRPFHCQNURRJRT-UHFFFAOYSA-N 431.565 5.133 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc(C)c1Cl 4109798 NQJUBFQYZSALIQ-UHFFFAOYSA-N 426.866 5.593 0 40 IKAB O=C(c1cccs1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410461 YBMPDRPTTHGWRT-DOTOQJQBSA-N 432.570 5.051 0 40 IKAB biogenic,in-vitro CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 5950102 LMMBFWFFUSLPOA-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB COc1ccc(C2=NN(C(=O)C34CC5CC(CC(C5)C3)C4)[C@@H](c3ccc(OC)cc3)C2)cc1 7059994 XTGXWOPQPIPISG-JUYOQADGSA-N 444.575 5.598 0 40 IKAB Cc1ccc2c(nc3s/c(=C/c4cn(Cc5ccccc5)c5ccccc45)c(=O)n32)c1C 8425978 GLZIBFFCOSLGSH-ZVHZXABRSA-N 435.552 5.077 0 40 IKAB Cc1cc(/C=C/C(=O)N2CCC(C(=O)N3CCCCCC3)CC2)c(C)n1C1CCCCC1 8727142 BLKAOCBMRYOREG-OUKQBFOZSA-N 439.644 5.265 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3c(-c3cccs3)c2C1 8934302 NBXPQBJKZFLUAW-MRXNPFEDSA-N 446.641 6.989 0 40 IKAB COc1ccccc1-c1cn[nH]c1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1O 8996125 ADGUYVXWIKOBBI-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1csc(-c2ccc(F)cc2)n1 9376309 ZYVJZNQQAYJUBZ-UHFFFAOYSA-N 433.512 5.186 0 40 IKAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 9434634 SEFYCBBENARVOO-INIZCTEOSA-N 441.380 5.199 0 40 IKAB Cc1nc2sc3c(SCc4ccc(Cl)cc4)ncnc3c2c2c1COC(C)(C)C2 9462523 AOJCYGUDXMIWFY-UHFFFAOYSA-N 442.009 6.345 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCc4c[nH]c5ccccc45)cc3)c2O1 9659783 IWYLVTJMUMCMTI-UHFFFAOYSA-N 440.543 5.433 0 40 IKAB Cc1cc(C(=O)CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)c(C)n1C1CC1 9818773 YTRUPVYADZBGAW-UHFFFAOYSA-N 428.867 5.130 0 40 IKAB CCc1cc2c(=O)n(-c3ccc(Cl)cc3)c(SCC(=O)c3cccs3)nc2s1 10381704 YCIREWCRUHTKOO-UHFFFAOYSA-N 447.006 5.700 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1C1CCCCC1 11152395 RQYOVNXXDZUGDP-UHFFFAOYSA-N 438.597 5.573 0 40 IKAB Cc1cc(OS(=O)(=O)c2ccc3ccccc3c2)n(-c2ccc(Cl)cc2Cl)n1 11691658 GXETUVLZAINROM-UHFFFAOYSA-N 433.316 5.408 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)Nc1cc(C(F)(F)F)ccc1Cl 12178661 MWUJTWWVKSYQES-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1C 12248485 SCAOJVILPVZSKO-UHFFFAOYSA-N 443.572 5.675 0 40 IKAB CC1(C)C[C@H](NC(=O)c2ccc(Cl)cc2)C[C@@](C)(CNC(=O)c2ccc(Cl)cc2)C1 12311199 TWPGDJCMZLPYCW-GBXCKJPGSA-N 447.406 5.738 0 40 IKAB O=C(Nc1ccc(-c2ccc(Cl)cc2)cc1)c1cc(-c2ccccc2)nc2ccccc12 12483625 IXSVXMJVFCQSAF-UHFFFAOYSA-N 434.926 7.475 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 12484188 VRZNGNSLTWQPDL-UHFFFAOYSA-N 435.910 7.441 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](c1ccccc1)N1CCCCC1 12565880 VONCVKHMISCWGP-QHCPKHFHSA-N 448.588 5.758 0 40 IKAB C[C@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(C(C)(C)C)cc1 12776340 MDVVWIVYFOJTCN-NSHDSACASA-N 441.906 6.063 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)c3ccc(C)cc3C)C3CCCCC3)n2)cc1OC 12843412 FSFRCZJNHOXGMK-UHFFFAOYSA-N 449.551 5.346 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCc2csc(CC(=O)NCc3ccccc3)n2)n1 12851220 UKRYLNFJWNUQIN-UHFFFAOYSA-N 446.601 5.060 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc(Cl)cc4Cl)C3=O)co2)c(C)c1 12921880 INABVXBEONHIKB-JOCHJYFZSA-N 444.318 5.232 0 40 IKAB CCOc1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 13025618 IVWFJTPXMZCISI-JOCHJYFZSA-N 438.549 5.187 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 13026658 KKOIOLGYZYMGDR-XMMPIXPASA-N 432.520 5.044 0 40 IKAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)Nc1c(C(C)C)cccc1C(C)C 13039029 HBRNJDHNOHTIEH-OAQYLSRUSA-N 447.044 6.077 0 40 IKAB CCc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc2c1 13562018 AIIHLYJFJZOLMK-UHFFFAOYSA-N 427.375 6.085 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN12 13806146 QZVLTMRQRNVSHN-NLFFAJNJSA-N 448.906 5.710 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 13879606 HJTXKOIEGMOCHW-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB COc1ccc(-c2cc(C)nc(SCC(=O)c3ccc(Br)cc3)n2)cc1 14152995 CWEPEQXLTNCKAR-UHFFFAOYSA-N 429.339 5.198 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947830 CCBMFYYGXZOHHN-GIGQVBGESA-N 433.360 6.869 0 40 IKAB COc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccccc1Cl 16576194 GFFCPKBGDUNZCL-PYMPDBRZSA-N 440.027 6.622 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 16610874 CAFSBVIKCYLGTK-OAHLLOKOSA-N 449.348 7.023 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)N(c1nc(-c3ccccc3)c(C(=O)c3ccccc3)s1)C2=O 16740841 ZUWPTTAYSRUNES-HFJWLAOPSA-N 444.556 5.357 0 40 IKAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCc1ccc(C)cc1 16752574 VUVTUZDHKCGBLV-UHFFFAOYSA-N 436.448 5.450 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1c(F)c(F)c(F)c(F)c1F 17102756 FEXUDBDOFWUFSY-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nnc(-c3nccc4ccccc34)o1)CCCC2 19581243 HBJPZXDVBUQFKM-IBGZPJMESA-N 428.492 5.042 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 19636572 LJQQSQSIPGQZST-MOPGFXCFSA-N 442.559 7.438 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc4ccccc34)o2)cc1Cl 19645473 LKBGXVMOCFNDMT-WYMLVPIESA-N 446.959 6.588 0 40 IKAB Cc1nc2ccc(C(=O)N3CCO[C@@H](c4ccc(-c5cccc(Cl)c5)cn4)C3)cc2s1 19692474 LCKXVBBTZLLUMA-JOCHJYFZSA-N 449.963 5.534 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(Cc3ccc(F)cc3)c2C)o1 21464444 CNMYMKIWLGXKHR-UHFFFAOYSA-N 425.485 5.219 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N(CCc1ccccc1)Cc1ccccc1 22376250 DDWYDONCQTYGEV-UHFFFAOYSA-N 435.593 5.481 0 40 IKAB O=C(CCc1ccccc1)N(Cc1ccco1)c1nc2ccc(Br)cc2s1 22897175 UHVHBLDSTREXFI-UHFFFAOYSA-N 441.350 5.818 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccc(SCc2cscn2)cc1 25277466 BRXKGHDYDCIJLN-UHFFFAOYSA-N 440.550 5.131 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 26124055 UJHMHHYAUKGPEF-UHFFFAOYSA-N 444.878 5.595 0 40 IKAB Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2c(C)cccc2C)n1 27795536 XAGATWTVHMAHRO-UHFFFAOYSA-N 442.382 5.709 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Cl)c1 28290511 JKWDHFTYGHHCKB-UHFFFAOYSA-N 447.387 6.727 0 40 IKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 32967075 JMMKJCHPDGVNLJ-DEOSSOPVSA-N 428.557 6.067 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc(/C=N/n2c(-c3ccccc3)nc3ccccc3c2=O)o1 33720707 LPMVVKXVUJWCGQ-LQKURTRISA-N 439.902 6.168 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)cnc2c1-c1cccc(Cl)c1 38829823 SXYPNKNXWHANLB-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB CCCCC1CCC(C(=O)Nc2ccc(OCc3cc(=O)n4oc(C)cc4n3)cc2)CC1 41089662 RYSDTKOCKLQVLX-UHFFFAOYSA-N 437.540 5.110 0 40 IKAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)cc(C)c1I 57313841 GXVXUVXUPVVDNI-UHFFFAOYSA-N 441.312 5.679 0 40 IKAB CCCCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nc2ccsc2c1=O 57426363 LVAORFJKPJVAKH-UHFFFAOYSA-N 441.500 5.008 0 40 IKAB C[C@H]1C[C@@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 57740261 MWBRWQVMOTXTMX-KDURUIRLSA-N 430.983 6.219 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(Sc3nc4ccccc4s3)sc2c1 59432007 MPFLJABNTUSQHT-UHFFFAOYSA-N 445.550 5.858 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OCC)c1 62715585 NQAILKOGDQVYCK-MDZDMXLPSA-N 439.733 5.657 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)c(C)c4)cc23)c(Cl)c1 67289822 BHNRZHMOLCXRFS-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4CC)nccn3n2)cc1 67290426 ZVGJRJGJUBXNDX-UHFFFAOYSA-N 446.576 5.397 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)n2)sc1C 72375410 QUSDDSMBJVMDIU-HXUWFJFHSA-N 446.580 5.071 0 40 IKAB Cc1ccccc1-c1noc(C[S@](=O)Cc2csc(-c3ccccc3Cl)n2)n1 84247710 DGNAJLUIQCQOCI-NDEPHWFRSA-N 429.954 5.271 0 40 IKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)c1ccc(COc2ccc(F)cc2)o1 89873078 MEIGOYQBDYTVRB-UHFFFAOYSA-N 434.448 6.120 0 40 IKAB O=C1C(Nc2cccc3ccccc23)=C[C@@H](c2ccc(F)cc2)N1c1cccc2ccccc12 103678513 YWTQCIAYMSXOEZ-LJAQVGFWSA-N 444.509 7.216 0 40 IKAB C[C@@H]1[C@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 106341925 USEVJXUDAHBZHA-ZLUZWTFRSA-N 430.342 5.150 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1OC 106734066 XDCHEWDGHBKFJW-APSNUPSMSA-N 442.295 5.386 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 224086610 NEQYWQZRVQEPGM-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(C)c1 224110284 ODFHXSZOETXREN-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 224313156 JXCFAFHQAUXWFT-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 224445068 SXMQRRLGXBMREH-DHIUTWEWSA-N 449.938 6.311 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cc(C)cc(C)c1 224813908 HXNZEPWSMWDNCU-LJQANCHMSA-N 447.044 5.134 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1SCc1ccccc1 224966272 PEUVTICYRIJSGW-UHFFFAOYSA-N 449.626 6.375 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3cccc(OC)c3)cs2)cc1 225251079 BLIPVPQLKDQDEK-DEDYPNTBSA-N 439.562 5.092 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225316153 VNFPTYAZYZKSAB-DLBZAZTESA-N 435.395 5.258 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 225554699 HKBOYYXRQSLAAX-CQSZACIVSA-N 441.786 5.131 0 40 IKAB O=C(c1ccc(NC(=S)NCCCSCc2ccc(F)cc2)cc1)N1CCCCC1 225616484 KTRZRJNYRPSQTH-UHFFFAOYSA-N 445.629 5.062 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1snnc1-c1ccc(Br)cc1 225783793 HNQHLCXWNYNRLU-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB NC(=O)CCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226342298 NYPVOWDTTBETHK-UHFFFAOYSA-N 437.548 5.406 0 40 IKAB O=C1CCC[C@]2(CN(Cc3cccc(Oc4ccccc4)c3)C[C@H]2c2ccc(F)c(F)c2)N1 257202607 AMOXDEHFTNDFQK-WNCULLNHSA-N 448.513 5.395 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)n1 257228821 FVJSHAMEDZCIBW-SFHVURJKSA-N 445.592 5.626 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)CC1)C1(Cc2ccccc2)CCOCC1 257272405 NCGZPJGMIHXYLP-HSZRJFAPSA-N 442.603 5.446 0 40 IKAB Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CC3=CC(C)(C)NC(C)(C)C3)n2)n1 257332090 XVRWJYVTLJSVQM-OAQYLSRUSA-N 433.600 5.059 0 40 IKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408553612 AYRCKPWPLSEHRL-UHFFFAOYSA-N 449.309 5.771 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(F)cc1 408571683 CKCNJNVCJLBRON-UHFFFAOYSA-N 429.944 5.922 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(C)cc2C)n1 408698779 PMLGXETZYHGIHE-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1sc2nc(SCc3c(Cl)cccc3Cl)n(-c3ccccc3)c(=O)c2c1C 408723881 YDHJPQBFWPXMMK-UHFFFAOYSA-N 447.412 6.663 0 40 IKAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 408772343 LCEPWLDHENNQHL-UHFFFAOYSA-N 438.593 5.395 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)c1 409024601 GAQQSURGBKEDAF-UQQQWYQISA-N 425.528 6.216 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)cc2)cc1 409138250 ZBNBAEOMCXDLCI-XIEYBQDHSA-N 443.568 6.243 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(Cl)cc3)C2=O)cc1 409167780 JQBUGKSZPACKHI-YQNUULROSA-N 444.940 5.192 0 40 IKAB CSc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c1 409184349 XPMYXUYYQQHNSR-HNNVXOBOSA-N 440.612 6.957 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cc(C)cc3C)C2=O)c2ccccc21 409374579 UFTAAXUDUGCKCC-MTJSOVHGSA-N 447.560 5.261 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccccc1 874244 NRVMCIUQKKWTIR-HNNXBMFYSA-N 435.940 5.102 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)sc2c1CCC2 996301 IXZQCTRPOLYGQS-UHFFFAOYSA-N 446.528 5.782 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1C 997306 MRLSDOCIPINMLD-UHFFFAOYSA-N 443.330 5.880 0 40 IKAB Cc1cc(C)cc(Oc2coc3cc(O[C@H](C)C(=O)OC4CCCCC4)ccc3c2=O)c1 1748242 XOYHPVOXHZQUQZ-GOSISDBHSA-N 436.504 5.845 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccccc1 1816597 JRAPHHUAABOYRW-AREMUKBSSA-N 445.603 6.443 0 40 IKAB biogenic CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)c(C)c3)c2c1 2074112 NROLPQCPDHPBDB-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB O=C(CCCCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 2133245 KYQHRSDBUKTGKI-UHFFFAOYSA-N 434.150 6.438 0 40 IKAB Cc1cc(C)nc(S[C@H]2c3cccc4cccc(c34)[C@H]2NS(=O)(=O)c2ccccc2)n1 2232496 FBSDGWKMSGQFEF-PKTZIBPZSA-N 447.585 5.113 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2ccccc2)cc1 2245383 DPTMDAQMOAWFMQ-QVWWMRLHSA-N 448.547 6.816 0 40 IKAB Cc1cc(C)nc(SCC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)n1 2291010 AGDSMBGBRNPYCL-AREMUKBSSA-N 431.605 5.707 0 40 IKAB CSc1nc(N2CCCCC2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2424774 SEOMCMFJMXWDIU-UHFFFAOYSA-N 432.618 6.107 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O 2704165 NVKOFZIYLILVTP-QFIPXVFZSA-N 431.875 5.206 0 40 IKAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3ccc(Br)cc23)cc1 2758516 KYCSLJHKMREYND-UHFFFAOYSA-N 445.360 6.211 0 40 IKAB COc1ccc(Cl)cc1-c1nc(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)no1 2930982 JOQJZLATDLUXLZ-UHFFFAOYSA-N 449.850 5.047 0 40 IKAB Cc1c(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)oc2ccccc12 3655339 IZEIWSLWNQYXEB-UHFFFAOYSA-N 429.859 6.624 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655606 MTTZOKMNMIBQDJ-UHFFFAOYSA-N 447.918 6.458 0 40 IKAB O=C1C[C@H]2CCCC[C@H]2C[C@@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5385367 PDNQXLXVLOVBBG-ZWEKWIFMSA-N 440.583 7.098 0 40 IKAB COc1ccc(N(CCC23CC4CC(CC(C4)C2)C3)S(=O)(=O)c2ccccc2)cc1 6051599 ONASNKONQDYRRV-UHFFFAOYSA-N 425.594 5.497 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 6074143 GHTYHJRRGASYKC-UHFFFAOYSA-N 448.592 5.308 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3)nc3sc4c(c3c2=O)[C@@H](C)CCC4)cc1 8432667 LCOVDALSHIHZFD-KRWDZBQOSA-N 432.614 6.488 0 40 IKAB C[C@H](Cc1cccc2ccccc12)C(C)(C(=O)Oc1ccccc1)C(=O)Oc1ccccc1 8614847 FVJMYDXBQKSSGZ-OAQYLSRUSA-N 438.523 6.236 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 8815657 LVNFFVBQVXCECR-KGLIPLIRSA-N 435.929 5.075 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc(O)c1 8820705 YQSPOTBSYQJRCO-MTJSOVHGSA-N 437.904 5.866 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)n1C1CCCCC1 9052193 DXBBBLBKCMUCQC-UHFFFAOYSA-N 436.581 5.402 0 40 IKAB CCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nnc1-c1ccc(Cl)cc1 9071702 CGTIKYXKPUPOHY-SNVBAGLBSA-N 440.878 5.155 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(Cl)s1 9127944 ZEEAGZNLKUADOA-UHFFFAOYSA-N 440.377 5.535 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 9168723 DHRGDYUFFQUCAV-HXUWFJFHSA-N 449.601 6.171 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 9194503 RIUBXSWHGGXTDD-UHFFFAOYSA-N 430.273 5.428 0 40 IKAB Fc1ccc(-c2nc3ccccc3c(-c3ccccc3)c2Oc2ccc(Cl)cc2)cc1 9224277 BUUIBDSODJKVBS-UHFFFAOYSA-N 425.890 8.154 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccccc2Br)o1 9464399 OUXIRCFFKJJOBH-GFCCVEGCSA-N 442.338 5.652 0 40 IKAB O=C(Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12)c1ccc2c(c1)OCO2 9518321 CDESWQFIGPAWDI-UHFFFAOYSA-N 434.835 5.320 0 40 IKAB C[C@H](Nc1cccc(-c2nnc3n2CCCCC3)c1)C(=O)Nc1ccc(C(F)(F)F)cc1 9799755 BUWUDFHTIGELRC-HNNXBMFYSA-N 443.473 5.129 0 40 IKAB CCOc1ccc(OCC(=O)N2CCC(c3nc4cc(Cl)ccc4s3)CC2)cc1 10235436 XRXOVCBCBCBXAH-UHFFFAOYSA-N 430.957 5.133 0 40 IKAB O=c1[nH]c(SCc2csc(-c3cccc(Br)c3)n2)nc2sccc12 10869035 RYNZFSMJXDNFKT-UHFFFAOYSA-N 436.381 5.163 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 12249975 YKIVDIINRKJTJO-UHFFFAOYSA-N 434.564 7.060 0 40 IKAB Cc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)c1 12617458 BUTAOKSAUSHZIE-WIYYLYMNSA-N 425.351 6.061 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3C3CCCCC3)c3ccccc3n2C)cc1 13943806 AGGKHIVKVGCKLU-GDLZYMKVSA-N 434.583 7.032 0 40 IKAB O=C(NC(=S)Nc1ccccc1Br)c1ccc(OCc2ccccc2)cc1 14269470 QFQFRUMDTWOWEI-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccccc3)c(C(C)=O)s2)cc(Cl)c1OC(C)C 14657764 ONTJSQQWEDPUHM-UHFFFAOYSA-N 444.940 5.714 0 40 IKAB CC1(C)CC(=O)C2(Cc3c(ccc4ccccc34)N(Cc3ccc4c(c3)OCO4)C2)C(=O)C1 15024481 TYHCKQIXXFAOLJ-UHFFFAOYSA-N 441.527 5.076 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)CN3CCCCCC3)c2C(=O)Nc2ccccc2F)C1 15946889 GQTWJQYRXHQENH-INIZCTEOSA-N 443.588 5.079 0 40 IKAB C1=C[C@]2(Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c1C=C2Cc1ccccc1 16478818 ZNGAHICLJRUUIT-YTTGMZPUSA-N 438.526 7.814 0 40 IKAB COc1ccc(-n2c(SCc3nc4ccccc4[nH]3)nnc2-c2ccc(C)cc2)cc1 16788842 PHRMOWKTWMPAAX-UHFFFAOYSA-N 427.533 5.420 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3ccc(C)cc3)c2-c2nc3ccccc3s2)C1 16837165 SOXBEMIGEKDADY-UHFFFAOYSA-N 433.602 5.964 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)COc4ccc([C@H](C)CC)cc4)ccc3o2)cc1 17095962 XWUWQLRTLNUDNP-GOSISDBHSA-N 428.532 6.588 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)c1 17096522 LVWRLTDKRMUGLE-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 17097271 LDTWFQOYDCUINR-AWNIVKPZSA-N 430.939 6.158 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1C 17099329 IVHCAHHYJDSEPG-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1ccc2cc3c(NC(=O)c4ccccc4Br)nn(CC(C)C)c3nc2c1 17251649 YWBMCEULCGHFNM-UHFFFAOYSA-N 437.341 5.564 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Br)cc4)ccc3Cl)nc2c1 19418471 PIJAXQAWQOXNGA-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB COc1ccccc1CCN1COc2c(Cl)cc3c(-c4ccccc4)cc(=O)oc3c2C1 19882560 TUHNLPZBQVSBOH-UHFFFAOYSA-N 447.918 5.517 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(C(=O)O)c(Cl)c1 20150936 NLTZHQHYFXHHJZ-RMKNXTFCSA-N 436.678 6.257 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(F)cc3)c2c1 20382486 QUMNYGSFLRYCSD-UHFFFAOYSA-N 436.508 5.136 0 40 IKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1cccc2ccccc12 20611398 LHELFCMKVOQXTJ-UHFFFAOYSA-N 429.863 5.957 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1c(C)cc(C)cc1Cl 21580827 ZKQHUCFJKIIBHK-UHFFFAOYSA-N 435.911 5.526 0 40 IKAB COc1ccc(-c2ccc(CNn3c(-c4ccccc4OC)n[nH]c3=S)o2)cc1Cl 22111511 QCTDUSYFOMRBKG-UHFFFAOYSA-N 442.928 5.282 0 40 IKAB CCc1c(C)sc2nc(SCc3nnsc3Cl)n(-c3cccc(C)c3)c(=O)c12 24078589 ZMWKNNGJKBWWQX-UHFFFAOYSA-N 449.026 5.424 0 40 IKAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 34799581 IKFBZMVMROURIZ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 38754939 ISDUKMCVLKZWJN-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB Nc1c(Cl)cc(NC(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)cc1Cl 45621137 OBFSEGVCWXNQSV-UHFFFAOYSA-N 442.346 5.220 0 40 IKAB Cc1ccc(-c2noc(-c3cc4cccc(OCc5ccc(F)cc5)c4oc3=O)n2)cc1 57354725 NPOGBAOVRJINPP-UHFFFAOYSA-N 428.419 5.537 0 40 IKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 58135496 GHFVPNHSFMTSCF-FGZHOGPDSA-N 436.577 5.529 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 59483715 RPCOJEYKZAIMNT-DEOSSOPVSA-N 428.532 5.932 0 40 IKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 67257489 IJNBQQSTFAUNNM-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB COc1cc2c(cc1OC)[C@H](CCc1c(C)noc1C)N(C(=O)c1ccc(C)s1)CC2 72342720 BSQUNXDNCDDUBP-FQEVSTJZSA-N 440.565 5.051 0 40 IKAB Cc1c(-c2nnc3sc(-c4cc(C(C)(C)C)cc(C(C)(C)C)c4)nn23)oc2ccccc12 96194108 UPVQELVYDFTHTL-UHFFFAOYSA-N 444.604 7.169 0 40 IKAB Fc1ccccc1[C@@H]1C=C(c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 100758046 FRSUURJUJKHYIR-NRFANRHFSA-N 447.311 5.903 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)c(OC)c1OC 102723028 UJNMUVXRJCPGME-ZHRRBRCNSA-N 446.503 5.617 0 40 IKAB CCCOc1ccc2[nH]c(C(=O)N[C@@H](CC(=O)OC)c3cccc(Cl)c3Cl)cc2c1 199416971 KTTRJFFHUFSXDT-SFHVURJKSA-N 449.334 5.298 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 223583339 KNOQGEGDPTYMEB-JOCHJYFZSA-N 428.576 5.070 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223606494 GXMRLWYISKGFOA-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223940876 XVPQZFNZKJCAIM-INIZCTEOSA-N 433.379 5.012 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc2c(c1)OCO2 224022237 ANDSZHVFDSUOOD-RPWUZVMVSA-N 446.576 5.294 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1N(C)S(=O)(=O)c1ccccc1 224292220 MTQANFBHXIONMS-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1CSc1ccc(Cl)cc1 224670721 ZGEGRZNMHWIKGR-UHFFFAOYSA-N 441.980 5.970 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 224738112 XPZPRLXJHWDPRT-LJQANCHMSA-N 447.044 5.464 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(OC)ccc3OC)o2)cc1 224910643 RDYWSPJIXFKWGK-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225135437 NWMOKCRDLIZQPU-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225302121 QUVPCCZCRLPKMS-ROUUACIJSA-N 449.422 5.485 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)s1 225361254 SOOCCGSCNSTGER-XZOQPEGZSA-N 435.618 5.950 0 40 IKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2)n(Cc2ccccc2)n1 257210116 BTFORRBKQCJPQG-UHFFFAOYSA-N 440.543 6.071 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1[C@H]2CC[C@H]1CC(Cc1cccc3ccncc13)C2 257293260 QOTCCHBUHCHBOF-DQEYMECFSA-N 436.559 5.106 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2ccccn2)CC1 257312689 UPCNHLBJDNNEGF-UHFFFAOYSA-N 427.592 5.018 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C)cc3C)c2C)cc1 408672395 WHJXRHCSZULGOZ-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(Cl)cc2)c1 408696893 FVJHTHLMMARLBQ-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2cccc(C)c2)cc1 408698633 OXOLMMUMZLULFL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1Cl 408729387 ZJBAHPKRBAEZTJ-DDBVPJQNSA-N 427.931 5.393 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 408790563 SKQOFVCPRARKEW-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1ccc(OC(=O)c2c(F)cccc2F)cc1 409020520 QEQBYGRDFBJMPO-XDHOZWIPSA-N 439.801 5.182 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1 409097932 MWJHRCWEKPGVOD-UHFFFAOYSA-N 435.980 6.203 0 40 IKAB c1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1 409110984 BBCKFZWXSRASEJ-UHFFFAOYSA-N 431.535 7.823 0 40 IKAB COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(C)c(C)c2)n1C 409198622 CHWFGJNBSJXRRA-RQZHXJHFSA-N 428.557 5.787 0 40 IKAB Cc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1Cl 409198884 GDZWUZKSZLRFDP-FYJGNVAPSA-N 438.310 6.225 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 409387005 YNUHULMFNLYLOW-UHFFFAOYSA-N 438.767 6.143 0 40 IKAB CCN1CCCCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582566 MMFMVHAHBOOJHK-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB COc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 874604 DHGZDDLBODKZMQ-UHFFFAOYSA-N 439.556 5.208 0 40 IKAB Clc1ccc(-n2ncc(-c3nnnn3-c3ccccc3)c2-c2cccs2)cc1Cl 978376 HDSDOZUNEZZWGS-UHFFFAOYSA-N 439.331 5.550 0 40 IKAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)c3ccccc3F)cc12 1000332 GOEWDHZOQPKCHZ-UHFFFAOYSA-N 431.463 5.533 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 1224186 JFNBDBHNTAFGMT-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB CCOC(=O)c1c(C)oc2cc(Br)c(OC(=O)c3ccccc3Cl)cc12 1447851 KGHOEPAOXOMKJO-UHFFFAOYSA-N 437.673 5.553 0 40 IKAB biogenic CC(=O)N(CC[C@@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(Cl)cc1 1903533 HCCNFPHERPCTCW-MHZLTWQESA-N 435.995 6.698 0 40 IKAB biogenic Cc1oc2c(F)c(F)c(F)c(F)c2c1S(=O)(=O)Oc1ccc(Cl)cc1Cl 2144386 UJDLFOLLIYORBM-UHFFFAOYSA-N 429.174 5.372 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1ccccc1NC(=O)c1ccc(C(C)(C)C)cc1 2182448 RNMMLLYDJZUBCR-UHFFFAOYSA-N 444.531 5.665 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2)cc1 2203865 AQDSGOUOGNODIB-UHFFFAOYSA-N 429.453 5.298 0 40 IKAB biogenic O=C(NC(=S)Nc1ccccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 2405330 GIRZALKVNWTPPW-UHFFFAOYSA-N 425.941 5.327 0 40 IKAB C[C@H](c1ccccc1)n1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 2409544 HKNHSTRDERHVCZ-LJQANCHMSA-N 449.558 5.139 0 40 IKAB COC(=O)c1ccc(Oc2coc3cc(OCc4cc(C)ccc4C)ccc3c2=O)cc1 2429155 JUKJWMCGEBTLAW-UHFFFAOYSA-N 430.456 5.568 0 40 IKAB biogenic COc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)cc1 2546364 SAGVWXDNZIIQSR-DEOSSOPVSA-N 434.605 6.201 0 40 IKAB Cc1ccc(Cn2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c3cc(F)ccc32)cc1 2694397 LQHJLPKEFSNWJS-UHFFFAOYSA-N 449.547 5.454 0 40 IKAB O=C(Nc1cnn(CC(F)(F)F)c1)c1ccc(COc2c(Cl)cccc2Cl)cc1 2729989 CSXQGSYXPKVVCH-UHFFFAOYSA-N 444.240 5.584 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn(Cc2ccc(Cl)cc2)c1=O 2890004 VXHINZXORTZVLA-UHFFFAOYSA-N 444.918 5.456 0 40 IKAB Cc1cccc(SCc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)c1 3050369 JYYIFWSNYWPZIY-UHFFFAOYSA-N 426.463 6.005 0 40 IKAB COc1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2ccccc2-c2ccccc2)C3=O)cc1 3144070 BDROFLAASSZXPP-UHFFFAOYSA-N 448.478 5.415 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 3266868 XQGAOGQFFISFHK-NTUHNPAUSA-N 441.462 5.102 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2)c1ccc(OC(F)F)cc1 3297412 VTPWDJTYGXLUAG-JOCHJYFZSA-N 430.378 5.392 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846392 KRLZDCUGJCHXMY-UPZGGJIKSA-N 448.688 6.801 0 40 IKAB biogenic COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@H]21 5091732 NXPJETGVRHQEDV-OAQYLSRUSA-N 425.960 5.093 0 40 IKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)c1 6442772 WJIZQXYSGVGUDB-HXUWFJFHSA-N 442.588 5.979 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 8397274 LBBTXDOZPGPWIT-UHFFFAOYSA-N 446.498 5.175 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 8439263 JYKVLRTUCURNDS-UHFFFAOYSA-N 435.929 5.542 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1C 8752819 GWWIHNMEMAZSKI-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 8870327 ZYMLBGSCIQCXNB-UHFFFAOYSA-N 443.565 5.733 0 40 IKAB C[C@H]1CCc2c(sc3nc(-c4ccc(OCc5ccc(Cl)cc5)cc4)[nH]c(=O)c23)C1 8952037 KNGRNGMYTNAHKD-AWEZNQCLSA-N 436.964 6.009 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)Nc2c(-c3ccccc3)nc3cc(C)ccn23)cc1 9056273 XETJXRAWAMBMFT-UHFFFAOYSA-N 427.504 5.310 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2c(Cl)cccc2Cl)c2ccccc2)c1 9284620 MVLLWWOPGCIVIS-FQEVSTJZSA-N 430.287 5.539 0 40 IKAB O=C(Nc1ncc(-c2ccc(Br)cc2)s1)c1sc2ccccc2c1Cl 9363708 PTPIDFLIBZWUKM-UHFFFAOYSA-N 449.782 6.693 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1Cl 9403378 OOTWRNZQANPSFR-UHFFFAOYSA-N 443.315 5.323 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3ccc4c(c3)CCC4)n2Cc2ccco2)c1 9646120 HAFJREPPHANYJO-UHFFFAOYSA-N 445.544 5.059 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)o1 9665104 RSRQERLREZLWOI-UHFFFAOYSA-N 429.517 5.231 0 40 IKAB C[C@H](NC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1)c1ccc(Cl)cc1 9703484 QZHLFIUEMJNFIX-NSHDSACASA-N 439.990 5.425 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1 9712761 QQMLAEJECQBIGD-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)Cc1coc2cc3c(cc12)CCC3 9883162 HJZBWLSCWHLMIG-UHFFFAOYSA-N 440.499 5.364 0 40 IKAB C[C@@H](NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 9934851 JBJJIMRSOJRSTA-YULRPQQCSA-N 446.591 5.089 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 10035379 RATRTLPDSFQTGS-XMMPIXPASA-N 425.488 5.034 0 40 IKAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 10128889 RCTAMLMTTPPBFR-UHFFFAOYSA-N 427.500 5.909 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1NS(=O)(=O)c1ccccc1 10315051 KAWAKLANUDIRKR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 10434532 VESQFUWRDJKXMF-JOCHJYFZSA-N 426.545 5.689 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1nc(-c2ccccc2)cs1 11347394 UMQMAJXQCGTZCM-ZDUSSCGKSA-N 447.545 5.461 0 40 IKAB CN(C)[C@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 11563525 BGBAYYPOMIRUOG-JOCHJYFZSA-N 446.938 5.090 0 40 IKAB Clc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(Cl)cc3)=NN2)cc1 12486617 ZWZRQFGGLDYQAT-UHFFFAOYSA-N 445.147 6.190 0 40 IKAB O=C(CSc1nncn1-c1cccc(Cl)c1)N(Cc1ccco1)C1=CCCCC1 12534827 YZAGHIHAEZDXTR-UHFFFAOYSA-N 428.945 5.093 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)Nc2cccc(C)c2)cs1 12753656 WUBGAHXJQACICO-MDZDMXLPSA-N 445.466 5.807 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)cc1Cl 12777776 CGUDYPDEMLJTJE-UHFFFAOYSA-N 445.950 5.047 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)o1)C(=O)Nc1ccccc1Sc1ccccc1 12812034 MPYFHJIKELUTBF-MRXNPFEDSA-N 433.558 6.007 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 12919384 FPXJQOTZFUPRAH-FQEVSTJZSA-N 447.423 5.467 0 40 IKAB COc1cccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)c1 13555179 ILWFZKRQPRGVDJ-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628352 HYPVRHLLPAQMAA-UHFFFAOYSA-N 444.575 6.524 0 40 IKAB O=C1C[C@H](c2cccc(Oc3ccccc3)c2)c2cc(Br)c3ccccc3c2N1 13940118 SAKXHONWTLSIGD-OAQYLSRUSA-N 444.328 6.869 0 40 IKAB Cc1c(C(=O)Nc2nc3c(s2)CN(C(=O)OC(C)(C)C)CC3)sc2ccccc12 14249280 SZFLJAWHPISNFL-UHFFFAOYSA-N 429.567 5.212 0 40 IKAB O=C(NCc1nnc2ccccn12)c1ccc(CSc2cc(Cl)ccc2Cl)cc1 14249392 ROXICGBMAPSSRE-UHFFFAOYSA-N 443.359 5.258 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1OC 15620109 OXIUSCOCTQYQKZ-BQYQJAHWSA-N 442.968 5.386 0 40 IKAB Cc1ccc(S[C@@]2(CN3CCCC3)COc3cc(C)c(Br)cc3C2=O)cc1 16310875 GFOGTZCJSFXEIJ-QFIPXVFZSA-N 446.410 5.268 0 40 IKAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17094680 SFZWPOBLIDCCOX-UHFFFAOYSA-N 425.941 5.359 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)nc2c1 17099505 FHKKBQHCYLPJPE-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C)nnc1-c1ccccc1C 18620545 NPNZQSUGZWRBED-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 19636725 AKKSGMZSRSHZMN-GOSISDBHSA-N 442.563 5.822 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1Cl 20030021 VSBDXRRCAJRFFL-UHFFFAOYSA-N 447.784 5.577 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)c(Cl)c1 20047497 DQFJOSXCDXMEDC-UHFFFAOYSA-N 434.923 5.332 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2Cl)cc1 20062717 GATPICPSPBREHK-UHFFFAOYSA-N 449.016 5.356 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 20610665 MXHUJKRBIJAMTR-UHFFFAOYSA-N 448.954 5.993 0 40 IKAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1cc2ccccc2nc1Cl 21276840 HMGYVWFLKMALNQ-SANMLTNESA-N 441.918 5.078 0 40 IKAB CC(C)(C)C(=O)Nc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 25511093 CHTVWDJLHZBOCN-UHFFFAOYSA-N 435.138 5.932 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCC(OCC)OCC)ncnc3[C@H]2C2=C1CCC2 26464505 PKGPRHGUZIZZME-NQIIRXRSSA-N 433.643 5.609 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 31852035 GHKBQAVKPZYEJZ-QFIPXVFZSA-N 430.617 5.409 0 40 IKAB Cc1cccc(Cn2cc(/C=C3/NC(=O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1 39556855 DVDDYVBRSNCEMV-OEAKJJBVSA-N 441.918 5.749 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 44844402 GXCWPAROYRQGDJ-UHFFFAOYSA-N 425.381 5.251 0 40 IKAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44851489 VIRSVCLYLLGXDN-UHFFFAOYSA-N 428.576 5.006 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N3CCC(Oc4ccccc4)CC3)c2)cs1 58196079 STKLXTQJPQNPBH-ZHACJKMWSA-N 434.561 5.114 0 40 IKAB COc1cc(/C=C2/SC(=O)N(c3ccc(C)cc3)C2=O)ccc1OCc1ccccc1 67192594 PPZTZSMSZXLKJL-HZHRSRAPSA-N 431.513 5.824 0 40 IKAB COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c1 67294873 QNMRVKILUZACCB-PNHLSOANSA-N 449.894 5.292 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(Cl)c3C)oc12 67295778 KUAKFRNATKVRGD-PNHLSOANSA-N 433.895 5.591 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)COc4ccc(C)c(C)c4)c(C)c3s2)n1 72228805 KEFUNDYJCWYBAO-UHFFFAOYSA-N 434.565 5.350 0 40 IKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc4ccccc4c3)oc12 73639373 LZDLLQVBUXUISW-UHFFFAOYSA-N 432.115 6.064 0 40 IKAB COc1cccc([C@@H]2CC(c3cccc(C)c3)=NN2C(=O)/C=C/c2ccccc2)c1OC 89669283 NEPANPQMHDSFSM-QDEBQFNMSA-N 426.516 5.403 0 40 IKAB C[C@H](NC(=O)CCCc1ccc2cccnc2n1)c1ccc(-c2cccc(Cl)c2)cc1 95574216 SVOWEHYOENAPDL-SFHVURJKSA-N 429.951 6.150 0 40 IKAB O=C(N[C@@H](CCc1ccccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749093 MHMSWSOHEVKDLP-QHCPKHFHSA-N 435.907 5.265 0 40 IKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)cc1Cl 96038150 KAOWWNAVSNNATI-UHFFFAOYSA-N 444.897 6.145 0 40 IKAB CC(C)c1noc(-c2ccccc2NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)n1 96346527 FUJFDKUOLZDGNQ-UHFFFAOYSA-N 428.492 5.646 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O 101128605 LNTRJTHXPKASLK-SDHSZQHLSA-N 440.543 5.344 0 40 IKAB CCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102861848 WZOAJEIYWQFXPT-HHHXNRCGSA-N 448.607 7.362 0 40 IKAB CC(C)(C)c1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc(C(C)(C)C)c1O 106688884 QJKAHGJRORIUAH-MOSHPQCFSA-N 441.568 6.363 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OC 106741620 DRCWMCQNTYZKDJ-RBFBNPFJSA-N 449.931 5.902 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@]2(C)C1 118914985 WPHICUIXBCASRI-MSQAKEQGSA-N 434.617 5.034 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223180119 LPXMMDSSGYMZHT-JOCHJYFZSA-N 426.626 5.118 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223795921 YTYVLKLPNXXPPQ-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccccc1 224180747 RVNZYCVUQVLRNT-GOTSBHOMSA-N 431.948 6.172 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224240471 YSZWOTSDODGBEC-LJQANCHMSA-N 447.044 5.071 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)c1 224539883 OYQABTGPTKFLBN-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCCC1 224849519 HXWODBSPOKNLDB-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225037099 ONEUXDHGQWPPAM-VQTJNVASSA-N 445.003 5.139 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1cc(Br)ccc1Cl 225069196 UGYMHQMGYQJPET-UHFFFAOYSA-N 437.161 5.558 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225088327 ZPMBZECMQFSXFU-YADHBBJMSA-N 430.592 5.413 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225104357 XEJRBGAEZXWQID-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC(C)c1ccc(CCCNC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 225362466 VDXIIUHNLLMYGM-MOHJPFBDSA-N 432.589 5.391 0 40 IKAB Cc1cc(C)nc(Nc2ccc(C(=O)N3c4ccc(Br)cc4C[C@H]3C)cc2)n1 225912576 BCTNQGGMCGWVPO-OAHLLOKOSA-N 437.341 5.191 0 40 IKAB CC1CCN(c2cc(Cl)nc(NC(=S)NCC3(c4ccccc4)CCCC3)n2)CC1 225972654 IJVTWOXXTMTARG-UHFFFAOYSA-N 444.048 5.165 0 40 IKAB CCC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCCCC3)CC2)C1 257224431 FBUACXSRLZCZSE-UHFFFAOYSA-N 426.645 5.791 0 40 IKAB O=C1CCC[C@]2(CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccc(F)c(F)c2)N1 257228739 FVAISXRFJLRWMY-WNCULLNHSA-N 448.513 5.395 0 40 IKAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)cc1 257285635 PIBVMDRIXJEHFY-PTLVVNQVSA-N 428.580 5.349 0 40 IKAB O=C(COc1ccc(Cl)cc1CNc1cccc(C(=O)O)c1)Nc1ccc(Cl)cc1 408611699 QUHRVNGHPNGEAK-UHFFFAOYSA-N 445.302 5.321 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674558 ACWNTOJOYHJVDU-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c1 408698575 OEVZEQPTRLLWBX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)c(OC)c1 408827927 VKPBTSKRENXROD-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409104086 DIFPTIPXCLSJIX-RSYJBZMQSA-N 439.967 5.151 0 40 IKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)c1 409110612 FKFANGJJDUYIPP-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 409119266 SGGURRCJSUNRKJ-UHFFFAOYSA-N 429.491 6.818 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1cc2cc(Cl)ccc2o1 409332845 RRSJOAUNQLSWBA-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)N(Cc1ccccc1)Cc1ccccc1 869756 MYZRWYJXVVCWOI-UHFFFAOYSA-N 427.470 5.010 0 40 IKAB COc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cccc(C)c2[nH]c1=O 1346770 MVQHDHOUFRJOIV-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3cccc(C)c3n2)cc1 2079508 IRNUPCZIRYOYNL-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4)o3)ccc21 2184317 YQHKSIUJNGJBGK-UHFFFAOYSA-N 428.517 5.595 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 2325164 WXPQIZLWFFKMDM-MUUNZHRXSA-N 446.660 6.855 0 40 IKAB COc1ccc(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 2437420 GAXBHJAPCPXFGJ-UHFFFAOYSA-N 448.548 5.108 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2n1 3038164 NNVKQIFLNSWZDQ-UHFFFAOYSA-N 434.780 5.460 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O 3052047 FEPOJQRCLIVDRC-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1nc(-c2ccccc2)cs1)Nc1ccccc1F 3281225 UDEVFFYEFZNVDY-UHFFFAOYSA-N 447.491 5.219 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 3851767 YQABJZDZFGKJGZ-BKMALILDSA-N 425.956 6.483 0 40 IKAB Cc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2ccccc2Cl)cc1 4185957 YQYVOCXYNWMXFU-UHFFFAOYSA-N 427.907 6.467 0 40 IKAB CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1c2ccccc2C[C@H]1C 5948078 BGPKGZUJVBSTNR-MRXNPFEDSA-N 436.602 5.664 0 40 IKAB CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 6878536 DYYGCXRTUMVUBV-LJQANCHMSA-N 434.609 6.191 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 8440690 ZZTJUHTUNPXPFW-RUZDIDTESA-N 440.008 6.332 0 40 IKAB Brc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCO5)cc1 8595098 BIBRWKRUKOLXOT-UHFFFAOYSA-N 444.288 5.732 0 40 IKAB COc1ccccc1C(=O)Nc1nc(-c2cccs2)c(NC(=O)c2ccccc2)s1 8914598 OIBTYFAIDUIJEK-UHFFFAOYSA-N 435.530 5.385 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9059445 TVKRTQUFFCPHNX-UHFFFAOYSA-N 446.963 5.898 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)c1 9193250 VBFCRTZFLDCZPR-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Cl)cc3Cl)=NN12 9300123 MRVMSAOKTCDCPQ-NRFANRHFSA-N 430.379 5.737 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)/C=C/c1ccc2ccccc2n1 9339094 JTELGBGZYCZJIS-PKNBQFBNSA-N 447.844 5.017 0 40 IKAB Nc1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@@H]4c2cccnc2)cc1 9433886 OGHVMXJJDSJQKN-QFIPXVFZSA-N 442.482 5.208 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)cc1 9663260 AHEUQWQLPPJXQD-UHFFFAOYSA-N 441.556 5.925 0 40 IKAB O=C(CN1CCC[C@@H]1c1ccc2c(c1)OCCO2)Nc1ccccc1Oc1ccccc1 9713156 KDLFYQBGMUJOCB-JOCHJYFZSA-N 430.504 5.026 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCC[C@@H]1c1nc2ccccc2s1 9779085 UDINIVBPEIBXTR-GOSISDBHSA-N 436.512 5.172 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3cccc(Cl)c3)c3ccc(C)cc3c2=O)cc1 9855794 KCXJTCCXMGEYJH-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3C)[C@@H]2c2ccccc2)cc1 9868182 BZZLGSZBCLIJMW-DHLKQENFSA-N 432.495 5.266 0 40 IKAB COc1cc(CCC(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc(OC)c1OC 10421441 UXEXQIQAKCEVDC-UHFFFAOYSA-N 432.476 5.092 0 40 IKAB O=C(CSc1ccccc1C(=O)Nc1cnc2ccccc2c1)NCC1CCCCC1 12641878 BIBMLXWIVVSZCG-UHFFFAOYSA-N 433.577 5.276 0 40 IKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(Cc2ccccc2)nc1-c1cccs1 12680360 QZCMVKKBIMZCRX-UHFFFAOYSA-N 442.544 5.039 0 40 IKAB COc1cc(/C=C/C(=O)N(C)Cc2ccc(Cl)cc2)ccc1OCc1c(C)noc1C 13096072 KPDVYKWQQCVWJL-XYOKQWHBSA-N 440.927 5.204 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2ncnc3sccc23)cs1 13114818 WULPDSBKBOLJNO-UHFFFAOYSA-N 432.983 5.778 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccccc2C)cc1OC 13618626 JUZJZUIIXAZORD-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cccc4ccccc34)cc2)cc1C 13682053 PTVVHTOELRAGHJ-UHFFFAOYSA-N 444.556 5.439 0 40 IKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(F)c(Oc3ccccc3)c2)cc1 15082446 UBUJSYGGNSSBFG-UHFFFAOYSA-N 438.546 7.260 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4Cl)cc3c2C)c1 15729528 LRJLPXGAIFMKHO-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic O=C(N[C@H](CC(=O)N1CCC[C@@H](C(F)(F)F)C1)c1ccccc1)c1ccccc1Cl 15940920 KSKWTBIDBIRVHW-VQIMIIECSA-N 438.877 5.002 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(F)(F)F)nccn3n2)cc1 17051667 CTMDLQFFBXYSIF-UHFFFAOYSA-N 442.466 5.454 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)c1 17101826 GANLKPVLOOQIJR-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB CCCCc1ccc(N2C(=O)CS[C@@]23C(=O)N2c4c(cc(C)cc43)C(C)=CC2(C)C)cc1 19645235 IBHOFHCYMGDVQD-MHZLTWQESA-N 446.616 5.813 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccccc2NC(=O)Cn2cnc3ccccc32)O[C@@H](C(C)C)C1 19712198 HAACSTDDFMGJEX-VANUSSGQSA-N 448.611 5.262 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2nnc(-c3ccccc3Cl)o2)n1 19929214 UUVAPAAVPPADDH-UHFFFAOYSA-N 434.308 5.129 0 40 IKAB COc1ccccc1NC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20275012 UJNJVOXBWUSREU-UHFFFAOYSA-N 432.505 5.682 0 40 IKAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21406777 PPTOIIMFZCFKEO-CQSZACIVSA-N 433.335 5.775 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nc(-c2cccc(C(F)(F)F)c2)no1 22377726 ZOTXPCJKCSFKKH-LBPRGKRZSA-N 432.427 5.583 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12 27664483 LSHGEAOTFUNZRJ-KRWDZBQOSA-N 444.487 5.408 0 40 IKAB Cc1cc(N[C@@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 33678728 YUUIRIHCCSBENU-OPQSFPLASA-N 426.772 5.278 0 40 IKAB O=C(O)c1cccc([C@@H]2Nc3ccc(CCNc4ccccn4)cc3[C@@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 33821663 BECXVCFEHZTSAS-NVSNEIARSA-N 439.559 5.731 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078433 SQQYPTKTCAZYMB-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccccc3)c[nH]c2c1=O 57523093 JSSSAERTSVRMHS-UHFFFAOYSA-N 446.576 5.231 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72354223 FXYUUZUXZXASDM-NRFANRHFSA-N 437.971 5.188 0 40 IKAB COc1cc2c(cc1CCC(=O)N1CCC[C@H]1c1cccc(Nc3nccs3)n1)CCC2 72375500 DVANTAZMUDCACV-NRFANRHFSA-N 448.592 5.075 0 40 IKAB C[C@H]1[C@@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 85764172 OFLPXEYYLDOAPP-ZPGHPQDLSA-N 444.744 7.220 0 40 IKAB CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@H](c3ccc4c(c3)OCO4)C2=C(O)C1 102584830 MEOOCDYAVBRQEO-HXUWFJFHSA-N 429.476 5.157 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(-c5ccccc5)cc4)=NN23)cc1 105833350 MCMCHPQIQKPIKU-IAPPQJPRSA-N 436.942 7.249 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)c(Cl)c2)N[C@@H]1c1ccccc1 107935126 LMRVIGOKDOMJIR-LJQANCHMSA-N 435.376 5.764 0 40 IKAB CC(=O)O[C@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1=O 123318744 DKOFZQMYSDOQHR-WWYAHNEDSA-N 444.700 7.218 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)/C=C/c3ccccc3)n2)cc1 199400905 NROBAWHGZNTEHR-WUKNDPDISA-N 437.547 5.473 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 214253991 NFPQWXMMGROLJX-UDWIEESQSA-N 437.448 5.109 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 216467993 GPBKXXMXOMILHU-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223070046 XTNFFOWXXLWISX-NHCUHLMSSA-N 427.957 5.004 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223272770 JAKVJMGNPPMQLV-HSZRJFAPSA-N 440.653 5.508 0 40 IKAB CCN(c1ccc2sc(C(=O)NC3CCCCC3)cc2c1)S(=O)(=O)c1ccccc1 223393633 MEUDBDGDSCJRDI-UHFFFAOYSA-N 442.606 5.179 0 40 IKAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224151918 NPQRIDONGCINFE-UHFFFAOYSA-N 426.513 5.027 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224184425 GIENTOXTQLNOKH-RPWUZVMVSA-N 445.975 6.481 0 40 IKAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1CSc1ccc(C)cc1 224340829 BSDVEVXLZLCGOA-UHFFFAOYSA-N 432.589 5.258 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1 224361941 IZVJZBHATKPDFM-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc(Cl)c(C)c1 224545123 NXPPIKWLYMQVKV-UHFFFAOYSA-N 439.895 5.607 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C)c1 224560567 JZMBNIZNPLLXMR-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc(C)o3)cc2)cc1 224692172 VPXCYDXQQMPJND-RPBOFIJWSA-N 441.556 6.261 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225001346 GEMVBAAZJXOQBN-DHIUTWEWSA-N 442.603 5.541 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 225034122 GZGBMLXMQZQAHN-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@@H](C)C4)cc3)CCCCC2)c1 225540284 BARJGMNHPOWWNZ-XMMPIXPASA-N 448.651 6.336 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 225629596 IJZDFIVTFBIZEB-WMZHIEFXSA-N 445.003 5.221 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225630603 MZYPVZPMIUGTNW-XXBNENTESA-N 429.004 5.221 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 229949172 MNDJWAKEJGFTBX-RRJCBXKSSA-N 427.931 5.891 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccc(F)cc3)CC2)n1 257204734 AWCAAPWISXSQGQ-AQYVVDRMSA-N 446.570 5.434 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(C[C@H](O)CC)n1 257269182 MOXBMXWMDKWOLE-LJQANCHMSA-N 426.488 5.004 0 40 IKAB S=C(NC[C@@H]1CCCO1)c1ccc(OCc2ccccc2Cl)c(Br)c1 408573167 IQQPBADENHWCHL-HNNXBMFYSA-N 440.790 5.126 0 40 IKAB COc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(C)C 408805513 KXYUSJPJFRKCRW-UHFFFAOYSA-N 431.965 5.455 0 40 IKAB S=C(Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)NC1CCCCC1 408977725 JRONERBRNSLGNA-UHFFFAOYSA-N 440.576 5.373 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c(C)c1 409179076 PSTUBPAFOLFQII-JJZOFQSHSA-N 436.599 7.161 0 40 IKAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1Cc1ccc(F)cc1Cl 585266030 ZQOZLOTYQORAIB-UHFFFAOYSA-N 439.918 5.017 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccccc2)cc1 624739 FRCMNGQPNVEQSE-UHFFFAOYSA-N 430.533 5.064 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)OC3CCCCC3)n2-c2ccccc2)c1 649273 AIBKQRLITOHKON-UHFFFAOYSA-N 437.565 5.123 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)ccc4Cl)sc3n2)cc1 661484 IJJOAXWDTWJGMJ-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB O=C(c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N1CCCCC1 851854 GLJMKJAWZSQYKN-UHFFFAOYSA-N 442.950 6.320 0 40 IKAB CC1(C)[C@@H](C(=O)N[C@@H](c2ccc(F)cc2)C(Cl)(Cl)Cl)[C@@H]1C=C(Cl)Cl 889288 LNTSHRPDUYJBSW-UHTWSYAYSA-N 433.565 5.944 0 40 IKAB Cc1cc(F)ccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901582 IYHAMIMYCUSMGX-UHFFFAOYSA-N 427.448 5.402 0 40 IKAB Cc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(=O)c2ccc(Br)cc2)cc1 924593 UIUWVTHIFHTHNC-UHFFFAOYSA-N 447.332 5.446 0 40 IKAB COc1ccccc1NC(=S)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 933924 IYHTWNALCYNCSB-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB CCc1ccc2nc(-c3ccc(OC)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 993141 TWILCHGARZHMMZ-UHFFFAOYSA-N 442.515 5.742 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccc(F)cc2)s1 1365997 XIJCRXBEQGMAQQ-GOSISDBHSA-N 442.478 5.281 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Sc2ccc(Cl)cc2)c(OC)c1OC 1428360 PYKVJFMDAMKMOG-UHFFFAOYSA-N 429.925 5.769 0 40 IKAB CCCc1nc2ccccc2n1C[C@@H](O)COc1ccc2ccccc2c1Br 1471175 SZUMPHUKGXOXJL-QGZVFWFLSA-N 439.353 5.344 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)nc2c1 2056728 AIQIQBULOZCBEW-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CCCCSc1nnc2c(n1)O[C@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 2085476 QFNYEOQLUGYYSF-LJQANCHMSA-N 444.944 5.302 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(C)c1 2086086 XIDCYSCJWWAOGH-UHFFFAOYSA-N 435.354 6.755 0 40 IKAB FC(F)(F)c1ccc(-c2nnc3sc(Cc4ccc(Cl)cc4Cl)nn23)cc1 2182975 DKWGKEHGVVQKSA-UHFFFAOYSA-N 429.254 5.769 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 2437106 UZGMISRSEHSSFY-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(N(c2ccccc2)C(C)C)cc1 2582374 KYAPKQVZDDHJJD-UHFFFAOYSA-N 445.950 7.102 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)COc3ccccc3Cl)c2C(=O)OC)cc1 2889767 YIJKDITZKYUOAJ-UHFFFAOYSA-N 445.924 5.271 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N1CCCc2ccccc21 3231267 CPSHTGOYXHDEQZ-UHFFFAOYSA-N 444.535 5.145 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1C1CCCCC1 3295054 DWVJDJPMSPYSRK-UHFFFAOYSA-N 446.389 6.644 0 40 IKAB COc1cc(-c2cc(C(=O)OCc3cccs3)c3ccccc3n2)cc(OC)c1OC 3299049 GKSUFXRNORVWJM-UHFFFAOYSA-N 435.501 5.346 0 40 IKAB COc1ccc(CCNC(=O)c2ccccc2NC(=O)CSc2ccc(C)c(C)c2)cc1 3417384 JRUZVBOVTWONHC-UHFFFAOYSA-N 448.588 5.015 0 40 IKAB O=c1cc(CSc2nn(-c3ccccc3)c(=S)s2)nc2sc3ccccc3n12 3430549 KNQJXALIMICBAQ-UHFFFAOYSA-N 440.600 5.178 0 40 IKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655587 JXMMRURJRDWBAD-NRFANRHFSA-N 431.463 5.907 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@@]3(C)[C@@H]4CC[C@@]56O[C@@H](CC[C@@H]5[C@]4(C)CC[C@]3(C)[C@@H]2C1)C6(C)C 4972898 JVGFZGDTAYCUDA-WTIVQLNJSA-N 426.729 8.409 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2c(OC)cccc12 6860429 HIFXUNOHDYTVOV-UHFFFAOYSA-N 443.572 5.907 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 7668890 GCRYWHNZVWAVDF-UHFFFAOYSA-N 425.532 5.885 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2c(Cl)cccc2s1 8832034 ATZXMCQNMALXIN-RMKNXTFCSA-N 449.746 7.168 0 40 IKAB O=C1[C@H]2CCCCN2c2ccc(C(F)(F)F)cc2N1Cc1cccc(C(F)(F)F)c1 8857381 VEVLMSSHLYQRCC-QGZVFWFLSA-N 428.376 5.630 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)c(F)c2)cc1OC 9184958 WCOMJRICIWCVNA-GBXCKJPGSA-N 438.886 5.739 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)nnc1-c1ccccc1 9308278 HJRFIYANKGYAAI-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 9516783 RCIIQTLHIHJQIB-UHFFFAOYSA-N 442.997 5.324 0 40 IKAB C[C@H](OC(=O)c1cc(-c2ccncc2)nc2ccccc12)C(=O)Nc1ccc2ccccc2c1 9630366 MBQLZJRULNECBO-SFHVURJKSA-N 447.494 5.634 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccccc2Cl)cc1 9679132 XDLLXGCKNKFQLR-QHCPKHFHSA-N 434.326 6.442 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1cccc(Br)c1 9708222 UHHSOCYEJHYIOK-IBGZPJMESA-N 427.367 5.044 0 40 IKAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 9737924 SGLYRAURHVPUJQ-UHFFFAOYSA-N 445.544 5.234 0 40 IKAB O=C(c1cn(CCOc2ccc(Cl)cc2)c2ccc(Br)cc12)C(F)(F)F 9805629 HYJHWBUVHNPGJK-UHFFFAOYSA-N 446.650 5.881 0 40 IKAB CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(Br)cc4)nn23)cc1 9933319 IDOWGESCAIEWCZ-UHFFFAOYSA-N 443.370 5.492 0 40 IKAB O=C(Nc1cccc(-c2nc3ccc(NC(=O)c4ccccc4)cc3o2)c1)c1ccccc1 9948882 SPLAJJSBQJCPNU-UHFFFAOYSA-N 433.467 5.999 0 40 IKAB COc1cc(NC(=O)C2CCC(C(C)(C)C)CC2)c(OC)cc1NC(=O)c1ccccc1 9951062 KCGWPXZYIQXAOQ-UHFFFAOYSA-N 438.568 5.747 0 40 IKAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn23)cc1 10119227 IFMOBXMXTKSMOG-UHFFFAOYSA-N 448.906 5.488 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(OC)cc1 10245760 IYQKVNNMVILVMM-UHFFFAOYSA-N 430.460 5.345 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)CCCOc1ccc(Cl)cc1Cl 10779459 KRAJGQCXCOGYGI-UHFFFAOYSA-N 431.157 6.170 0 40 IKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1ccc(C(=O)c2ccccc2)cc1 11852783 PBZQADVEKBCZRO-UHFFFAOYSA-N 441.537 5.903 0 40 IKAB COc1cc(OC)c(NC(=O)c2sc(-c3c(F)cccc3OC)nc2C)cc1Cl 12390090 NHTSQUXFNBSBAH-UHFFFAOYSA-N 436.892 5.189 0 40 IKAB COc1ccc([C@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc2)cc1 12608753 NEADTRSVXMBJQM-OAQYLSRUSA-N 432.467 5.107 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)C[C@H]2c3ccccc3C=CN2C(C)=O)cc1 12806457 NUPVNUVMJNTNCU-VWLOTQADSA-N 442.515 5.780 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 12955009 JRSGPPPZZCZUID-UHFFFAOYSA-N 441.858 5.421 0 40 IKAB Cc1cc(F)ccc1S(=O)(=O)Nc1nc2ccccc2nc1Nc1cccc(Cl)c1 15911183 BYWSWDLFRFWPPU-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB C=C(C)C/N=c1\scc(-c2ccc(Cl)cc2)n1N=C1CCC(C(C)(C)CC)CC1 16035656 CVABUXBYUISWJI-JTLLVMBOSA-N 430.061 7.177 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(N(Cc4ccccc4)C(C)C)ncnc32)c1 16768317 ZRJBRYWIENSKIR-UHFFFAOYSA-N 432.571 6.811 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)nccn3n2)cc1 16841645 VUPHPEMMHFLECD-UHFFFAOYSA-N 436.968 5.651 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3n2)cc1 17095999 SBXUSMDKNRVWRF-SFHVURJKSA-N 428.536 5.514 0 40 IKAB CCCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)CCC(=O)O 17096767 UCLYETYCBXLQHE-UHFFFAOYSA-N 430.309 5.092 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)nc2cc1Cl 17101693 AXLCUISRPSPGIF-UHFFFAOYSA-N 437.735 7.077 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3ccc(Cl)cc3Cl)n2)c1 17103133 FPEUXJJXOVLPGW-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB CCOC(=O)COc1ccc(/C(CC)=C(/CC)c2ccc(OCC(=O)OCC)cc2)cc1 17288131 HPGJCKHTPLFVEI-VHXPQNKSSA-N 440.536 5.301 0 40 IKAB CC(C)C[C@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccccc1 18131381 KBWAVFVIZJEUBO-SANMLTNESA-N 428.576 5.596 0 40 IKAB C[C@H](SCc1ccccc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20037077 FOXRAQPQFKULQQ-IBGZPJMESA-N 431.601 6.476 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 20455466 KBJGUKNCBYFHJJ-OAHLLOKOSA-N 428.326 5.257 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1cccc(OCc2ccccc2)c1 20610356 KJQGVEDZSJVZMH-UHFFFAOYSA-N 438.462 5.391 0 40 IKAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4ccc(Cl)cc4)nn3cc21 20671489 ZZVUZXWXGJFOIC-OAHLLOKOSA-N 438.915 5.122 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256896 BLTXPGCUISWJCC-GOSISDBHSA-N 427.570 5.158 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N3CCC3)n2-c2ccccc2Cl)cc1 24774091 CXEHAGNUBXKEMK-UHFFFAOYSA-N 441.000 5.210 0 40 IKAB CCCC[C@@H](CC)CN/C=C1/C(=O)N(c2ccc(OC)c(OC)c2)C(=O)c2ccccc21 25784665 WQRQLPKQFGOKLM-YMNYDYPGSA-N 436.552 5.038 0 40 IKAB CC(C)c1ccc([C@H](CNC(=O)COc2ccc(C(C)(C)C)cc2)N2CCCCC2)cc1 28291818 NAJIFLAXIMVGEQ-SANMLTNESA-N 436.640 5.830 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 28402936 XZOCZIWMLHSJND-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 33763971 BVDOYNBYYXKAGN-LPXFMOJISA-N 436.360 6.407 0 40 IKAB C[C@@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@H]1C 40199523 WJUHNDPIQIUKEY-QCHVJHGQSA-N 438.574 8.570 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44937314 NDMNYVOHCLUVSW-DEOSSOPVSA-N 446.994 5.603 0 40 IKAB Cc1nc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)sc1C(=O)O 51330191 FUBCIUTVAFXUQW-RYBRMEKVSA-N 429.545 5.951 0 40 IKAB O[C@H](CN1CCCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 57049735 FVTKUMLHMGZMOF-UFHPHHKVSA-N 449.683 5.619 0 40 IKAB Cc1cc(C)n(-c2ccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)cc2F)n1 58423571 PPJXCIWQYHJEEF-UHFFFAOYSA-N 442.853 5.636 0 40 IKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)c(OC)c1 67258886 TUVLKJFPFWYRGM-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB CN(C)c1ccc(-n2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)cc1 67259089 DCLXVMAGFFZTST-UHFFFAOYSA-N 439.943 5.537 0 40 IKAB COc1ccc([C@H](C)Nc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC 67262214 KPRLHCXXWUSWNV-INIZCTEOSA-N 425.492 5.135 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cc(Cl)ccc3C)oc12 67295787 JRZIMPKIXNWDEH-PNHLSOANSA-N 433.895 5.591 0 40 IKAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)Nc2ncnc3nc[nH]c23)cc1 72238511 DFSPBZUVFMVZLN-UHFFFAOYSA-N 442.504 5.028 0 40 IKAB Cc1c(C(=O)N2CCC(c3onc4c3C[C@H](C(C)(C)C)CC4)CC2)[nH]c2c1C(=O)CCC2 72392431 KNPOGMACVLWXOU-QGZVFWFLSA-N 437.584 5.001 0 40 IKAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)c1 89469811 SWCCEJXYZGJLKG-SFHVURJKSA-N 425.282 5.042 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N/c1ccc(Cl)c(Cl)c1)C(C)(C)N2 102405071 XTFRNJJOJUXDRS-FCDQGJHFSA-N 437.417 7.075 0 40 IKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nc2sc3c(c2c1=O)CCCC3 104349680 DOZOTRJGANTWJM-UHFFFAOYSA-N 449.601 5.241 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 118930477 CCIXUKKJUQWDOM-SBUTXJCHSA-N 444.656 6.475 0 40 IKAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 169683103 LIPPHDMICQMURW-FGEZKYSXSA-N 435.277 5.379 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1OCC 214637988 GQCDYPIFYWXETK-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 222414440 KDBJPWYZPWCEKQ-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 222592424 UMPGWLHZQCKWLQ-QFIPXVFZSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355240 CWVYFMHORANMRW-MHZLTWQESA-N 428.576 5.306 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223755569 FEKWPGKRYOCXHZ-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB O=C(NCCC1CCCCCC1)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224063022 FXWRDCPMVGZSEE-UHFFFAOYSA-N 434.989 5.231 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1cccc(OCc2ccccc2)c1 224248570 NJXVALYCDZIBPR-UHFFFAOYSA-N 433.558 5.662 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224311374 MDWGCGWUIJFIGG-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224349850 WDDPOPMYYZFVGE-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccc(C)cc1 224364170 QSYNIMBHPHGVLX-DEOSSOPVSA-N 436.577 5.091 0 40 IKAB Fc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224472503 ASULUEKRAMPCMQ-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1Cl 224482348 LEGHLAQJPGFHOU-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(C)c(C)c1 224621624 SEGLJPQDAOVPIL-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1Cl 225522082 ULTPUFVRQICSQT-UHFFFAOYSA-N 433.951 6.124 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCCCC4)cc3)CCCCC2)c1 225540386 WNDGVCPWWANDJJ-UHFFFAOYSA-N 448.651 6.481 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1 225836756 TUZFAVOCTIFTRM-UHFFFAOYSA-N 427.504 6.224 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@@]2(C)CCCC[C@@H]12 253505693 ZVBBVQAJSUFYKD-MEBFPAKGSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro Cc1ccccc1NC(=O)C(C)(C)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257201731 AIUYPGKWPWPXQL-UHFFFAOYSA-N 429.568 5.125 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257249772 JJRLXSMXLUSJQZ-JOCHJYFZSA-N 449.457 5.566 0 40 IKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)c1 257318461 VOAUZJIYBVCCCV-XMMPIXPASA-N 432.995 5.973 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2cc(C(=O)C(=O)N3CCCCC3)c3ccccc32)c1 408572038 QMNVFNKEBAUNLY-UHFFFAOYSA-N 432.564 5.347 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(C)cc2)cc1 408698624 OVHMLQPQQJYGLV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(C)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 408701652 BQYWLVIRODWZSF-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB O=C(NCc1ccccc1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704650 QXBNCLMGOZIDDX-XMMPIXPASA-N 436.964 5.044 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCc1ccc(Br)cc1 409112496 DJVFMXIRARAMMJ-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2Cl)n1CC 409349678 VSXKJGJXKWKAFW-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB CCCCc1cnc(Nc2cccc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585262569 FMZMLSWUYFWMMI-UHFFFAOYSA-N 426.630 5.911 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1COc1ccc(Cl)cc1 585266081 GQBHIFVGDTWHRG-HXUWFJFHSA-N 444.318 5.402 0 40 IKAB Cc1ccc(C(=O)N2CCN(c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)CC2)cc1 848177 RNOAUYBJIZLIHF-UHFFFAOYSA-N 442.950 5.221 0 40 IKAB CCOc1ccccc1C(=O)N(Cc1cccs1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1359583 VATCWWJKLUMEQE-UHFFFAOYSA-N 446.572 5.448 0 40 IKAB O=CNc1c(Br)cc2c(c1Br)Cc1cc(Br)ccc1-2 1569595 QAVBTPVSMWEYMY-UHFFFAOYSA-N 445.936 5.114 0 40 IKAB Cc1ccc(OCCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1834878 MMACTGYHSMUYIP-UHFFFAOYSA-N 446.978 6.665 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 1956786 OZPLLBIVEJTDMY-AWEZNQCLSA-N 435.973 5.480 0 40 IKAB CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)c1cccc(OC(C)C)c1 2088394 HIUHZGUKDQIVHW-UHFFFAOYSA-N 437.561 6.248 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3ccccc3s2)cc1 2285207 HZIDJAMUFUFRSG-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2299287 HRALUCLEWHJLJE-UHFFFAOYSA-N 430.617 6.468 0 40 IKAB biogenic CC(C)[C@H](C(=O)N[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 2371299 HAVDDOKQPHFPFA-IHLOFXLRSA-N 433.595 7.193 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2C[C@H]2CCCO2)cc1 2618558 ZMVVFRZIMSERKB-HXUWFJFHSA-N 429.973 5.257 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2702754 HBXXXYKCQOATAN-FQEVSTJZSA-N 432.501 5.178 0 40 IKAB COc1cc(/C=C2/N=C(c3ccccc3F)OC2=O)cc(OC)c1OCc1ccccc1C 2739956 SEEYAGWYJLVFRE-CIAFOILYSA-N 447.462 5.075 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)s2)c1 3271788 UYISEJDQWVJRRB-UHFFFAOYSA-N 444.670 6.176 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1cc(Br)ccc1Cl 3294463 CDKQZYLUSIUBBK-UHFFFAOYSA-N 438.749 5.087 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2c1c(-c1ccccc1)nn2Cc1ccccc1 3651656 GMVSYRIALQFBBW-UHFFFAOYSA-N 429.445 6.832 0 40 IKAB CCCNC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 5252413 VVJCIGVEUFZYCR-UHFFFAOYSA-N 427.548 5.560 0 40 IKAB Cc1ccc(NC(=O)C23CC4CC(C2)CC(C(=O)Nc2ccc(C)cc2C)(C4)C3)c(C)c1 5257761 ZKDZHYDONYVGHR-UHFFFAOYSA-N 430.592 6.084 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 6200379 XISMDLGZMIRUTE-SELVFMLMSA-N 426.004 5.536 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 8442223 IUEONDMREDACST-WHLIWEHUSA-N 446.660 7.644 0 40 IKAB C[C@@H](c1ccccc1)N(CC[C@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1 8682752 XQPMDJXRXKQOOF-HDYLNDSGSA-N 445.603 6.862 0 40 IKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 8754802 XIOBWEQIDRKZLP-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)cc1 8758165 GHGDAUVWGVBIMD-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1cccc(O)c1 8820715 PZWVNTQZEMSQJD-WQRHYEAKSA-N 442.290 5.656 0 40 IKAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)Nc1nc2ccccc2s1 8938814 ZFJKCFYUWWUGKF-UHFFFAOYSA-N 431.995 5.880 0 40 IKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1cc2ccccc2o1 9063987 FBFQLPMEQCNMDW-UHFFFAOYSA-N 446.919 5.756 0 40 IKAB O=C(Nc1c2c(nn1-c1cccc(Cl)c1)CSC2)c1ccccc1Br 9391578 FZCXNBQDFDLSGS-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)C12CC3CC(CC(C3)C1)C2 9446213 AGAPIGGEWZBBJG-UHFFFAOYSA-N 448.657 7.059 0 40 IKAB C[C@H](NCc1cn(Cc2ccccc2)nc1-c1cccnc1)c1ccc(-n2ccnc2)cc1 9465396 TWCSTSLILOXFDH-NRFANRHFSA-N 434.547 5.030 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 9495165 MRAIUDWUDZIJPU-GOSISDBHSA-N 429.701 5.687 0 40 IKAB CCc1oc2ccccc2c1CN(C)C(=O)Cc1ccc(OCc2c(C)noc2C)cc1 9501136 IMXHMJNXWVYXIG-UHFFFAOYSA-N 432.520 5.380 0 40 IKAB CCN(C(=O)c1cc(OC)cc(OC)c1)c1nc(-c2ccc(Br)cc2)cs1 9606799 BQTJEQCGLUDEBT-UHFFFAOYSA-N 447.354 5.257 0 40 IKAB CCN(C(=O)Nc1cccc(OC)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607140 FBPAUSCGXLGBSL-UHFFFAOYSA-N 435.593 6.925 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1C 9850624 GVGFHTGMXUBRRZ-UHFFFAOYSA-N 437.952 5.336 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1NS(=O)(=O)c1ccccc1 10328339 PGOGVMGMIAIXGV-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@H](C)n1c(S[C@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 11424519 SBXNDTGFOCMKIO-LIRRHRJNSA-N 441.622 5.017 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccc(OC)cc1)C3 12409807 CLPWOJAMQSNCPI-QGZVFWFLSA-N 447.922 5.117 0 40 IKAB COc1ccc(NC(=O)[C@@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl 12596710 YUSZPLHUWNERPW-QHCPKHFHSA-N 449.938 5.033 0 40 IKAB COc1ccc(-c2nc(COC(=O)CSCc3ccc(Cl)c(Cl)c3)no2)cc1 12775417 WDYZCBPFOKEMMA-UHFFFAOYSA-N 439.320 5.029 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12984301 ZCNHMOUDCRNCLD-UHFFFAOYSA-N 438.314 5.983 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026920 WHIZSLNRYPQTQO-XMMPIXPASA-N 432.520 5.044 0 40 IKAB Cc1ccc(Nc2nc(CN3CCN(c4ccc(C(F)(F)F)cn4)CC3)cs2)cc1C 13040241 VBSVDPIOZWCXRR-UHFFFAOYSA-N 447.530 5.240 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC)cc1 13871524 MZXWHUDDDUJHPU-HNNXBMFYSA-N 444.988 5.385 0 40 IKAB CCOC(=O)Cc1csc(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)n1 14138370 VZTFSYOJUKOYFB-OAQYLSRUSA-N 440.590 5.338 0 40 IKAB Cc1ccc(C)c(OC[C@H](O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 14251738 ZOCAVFFGOVUXMB-IBGZPJMESA-N 448.592 5.219 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 14270993 LZDYIBMTUSEUDX-ZDUSSCGKSA-N 447.387 6.894 0 40 IKAB Cc1cc(Br)c2c(c1)C(=O)[C@](CN1CCCCC1)(Sc1ccccc1)CO2 16284093 DXBFZQAEGZSPTN-JOCHJYFZSA-N 446.410 5.350 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)nc2c1 16610718 LEOUKFHSHDTINE-IBGZPJMESA-N 442.559 7.149 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc1 17094570 ZCGMGJYNIDZRHC-SFHVURJKSA-N 425.598 5.371 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 19358169 NMDJACJOLQJRPP-INIZCTEOSA-N 441.603 5.236 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccc(NC(C)=O)cc4)CC3)c2)cc1 19691081 HFSPKXPRJUDXJR-UHFFFAOYSA-N 443.547 5.044 0 40 IKAB CCc1n[nH]c(C(=O)Nc2ccc([C@@H]3C[C@H](N(CC)CC)C[C@H](C(C)C)O3)cc2)c1C 19711759 MDNLSUOENYCKJF-MZYLBHOOSA-N 426.605 5.119 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCC[C@H](C)C4)cc3)ccc21 20106540 SDKOSOAUIPOZSX-FQEVSTJZSA-N 425.576 6.299 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc2c(Br)cccc12 20139042 VMBKACOFBMTOHT-UHFFFAOYSA-N 434.673 5.215 0 40 IKAB CCCCc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20594902 ZCDWXVVBOPFKHH-UHFFFAOYSA-N 439.606 5.639 0 40 IKAB O=C(CCc1cnn(-c2ccccc2)c1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 22878817 PEONQNCISRHPLM-OISPARGKSA-N 433.555 5.218 0 40 IKAB COc1ccccc1C1=C(CN2CCOCC2)[C@H](c2ccc(F)cc2)c2ccccc2O1 25178255 ALSUGJCUGQVFHU-AREMUKBSSA-N 431.507 5.102 0 40 IKAB COc1ccc2[nH]cc(C3=CCN(C(=O)COc4ccc(Cl)c(Cl)c4)CC3)c2c1 32337342 GPMVYUKGBASINU-UHFFFAOYSA-N 431.319 5.178 0 40 IKAB CC[C@H](C)c1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 32906596 MNXVFMVXAVTYON-QLXKLKPCSA-N 448.588 5.431 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 35395334 IBEMGJLLSSQUKP-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1ccccc1OCC(=O)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671772 DYGVRHINYPTECA-UHFFFAOYSA-N 443.528 5.388 0 40 IKAB Cc1ccccc1OC[C@@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44852575 FJVHGOKGXJLQKW-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)ccc1Cl 44939553 MNWRMWDVXNKXFN-MRXNPFEDSA-N 435.351 5.021 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c(C)c1 59179603 YUNKXCYHMUJNMD-UHFFFAOYSA-N 439.581 5.736 0 40 IKAB COc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1 67294876 IWFILPWRVLNZTQ-PNHLSOANSA-N 449.894 5.292 0 40 IKAB CCCOc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228684 IWARBQMEURYQKQ-UHFFFAOYSA-N 434.565 5.757 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101076916 CZUDJILWSYVQCR-VABKMULXSA-N 432.907 5.008 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(Cl)cc3Cl)c3ccccc3C2=O)c(C)c1 103004945 OLIMNQFPFJBBQH-CPNJWEJPSA-N 437.326 6.250 0 40 IKAB C[C@@H]1Cc2ccccc2N1/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 105884518 CCAMYUOWQVDLJK-RUAUKMDKSA-N 448.444 5.685 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(OC)c2)cc1 107898637 HYFCTSBBULNPMR-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222783173 AUDFOASUQRLHQT-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222983412 MLGPINVKNPMTJX-SFTDATJTSA-N 446.403 6.421 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 223841387 JSNNFHGITLYIAX-GOSISDBHSA-N 439.602 5.182 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)c(C)[nH]1 224080421 CMCYDLFZOJSPKH-GOTSBHOMSA-N 447.608 5.107 0 40 IKAB COc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(-c2ccccc2)cc1 224216236 NOHGNUCAMBPHDP-UHFFFAOYSA-N 427.475 6.333 0 40 IKAB CCOc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1ccccc1 224368316 OGQPXRYASDXKQT-UHFFFAOYSA-N 437.539 6.184 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 224372151 GBQYBTMALZGDPD-GOSISDBHSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc(Cl)c1 224490507 LHSMNSINKGBWJE-UHFFFAOYSA-N 425.868 5.299 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cc(C)cc(C)c1 224537659 NLQPKRLSJDOYJH-UHFFFAOYSA-N 431.576 6.658 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(OC)c1 224588736 NZNJJXYQPLERKV-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc2ccccc2c1 224639907 PDKNIWGEYARLAY-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224667265 YWAUDXHEWXIZFC-JOCHJYFZSA-N 447.044 5.320 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224788356 MWWGWHPAECHRQD-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCCSCc2ccccc2Cl)ccc1Cl 225296205 DIIPXVPCKJEQEQ-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB Fc1ccccc1CSCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225412577 YEPCHOXJFLALIR-UHFFFAOYSA-N 442.650 6.338 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 225634776 RIKSOXLYHPOTRF-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225668705 UOYXJSPUUFALEY-IERDGZPVSA-N 435.395 5.258 0 40 IKAB COc1ccc(-c2nc3ccc(N4Cc5ccccc5C4=O)cc3o2)cc1Br 226286773 CKWAYUXVWLZTRS-UHFFFAOYSA-N 435.277 5.426 0 40 IKAB CCCc1ccc(OCCCc2nc(CC(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1 257218067 DBTABGXJJCGJCC-UHFFFAOYSA-N 449.566 6.749 0 40 IKAB COc1cccc(CN2CC[C@@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)c1OC 257304480 SLWPIWRKDYQKLR-QGZVFWFLSA-N 438.593 5.046 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(C)c(C)c3)n2CC)cc1 408560605 DPKZJQQMJATTQO-RQZHXJHFSA-N 436.621 6.336 0 40 IKAB Cc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc4ccccc4c3)cc2)CC1=O 408647739 XJHFXXZQSVGKEK-JOCHJYFZSA-N 436.511 5.932 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1Cl 408700110 YVUTUTXFGMDVJX-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408724481 LCPXNGQJHZVLKA-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)cc1-c1cccc2ccccc12 408724873 MMIMICZDCGZEIL-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1cc3c(cc1Br)OCO3)N2 408997432 OOCAVBVQJSTIRO-ZEOXDNFESA-N 442.309 5.173 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)O)cc4[C@H]4[C@H]5CC[C@@H](C5)[C@H]43)cc2)cc1 409001482 WCRFTXYLBXOVKK-VNVQMEGWSA-N 439.555 6.569 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 409159070 PXRNIRZFKMHMCU-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409169753 ZESWHYGWVFGJPN-SURISGSSSA-N 442.990 6.567 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CN2[C@H]3CC[C@@H]2C[C@H](c2ccccc2)C3)o1 548929718 FXRLQKCCUAVSSS-KOUNCHBCSA-N 426.520 5.611 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037846847 ZWAJDFMNMNYVFB-KRWDZBQOSA-N 437.902 5.559 0 40 IKAB COc1ccc(OCCn2cc(/C=C3\N=C(c4ccccc4)OC3=O)c3ccccc32)cc1 640691 SEUHQFIGYFDQFD-ULJHMMPZSA-N 438.483 5.073 0 40 IKAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1ccc(Oc2ccccc2)cc1 651783 OSJGJLCKVAPQIU-LVWGJNHUSA-N 435.277 5.319 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2)c1C 714998 FEYRHYJFZMJEIQ-UHFFFAOYSA-N 442.924 5.391 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 884826 LREQSRLARIYRGH-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB COc1cc([C@@H](CC(=O)c2ccco2)Sc2ccc(Cl)cc2)cc(OC)c1OC 946573 PJJYGEFXYJODEM-OAQYLSRUSA-N 432.925 6.065 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2O)n1-c1ccc(C)cc1 1223793 GCQSWWVXORXWHC-UHFFFAOYSA-N 444.560 5.242 0 40 IKAB Cc1ccc(Cn2cnc3c(NS(=O)(=O)c4ccc(Cl)cc4)c(C)c(C)cc32)cc1 1385939 XETWXDRIDUVHPH-UHFFFAOYSA-N 439.968 5.464 0 40 IKAB CC1CCN(CC(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 1823453 QJCBKKSUBKMWOV-AREMUKBSSA-N 425.016 5.893 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc(Cc2ccccc2)c1C 2058407 HRUCXQIECBQYPA-UHFFFAOYSA-N 441.552 6.353 0 40 IKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2c(Cl)cccc2Cl)cc1 2336242 OKUHOUQDNJZSID-PIKZIKFNSA-N 442.323 6.003 0 40 IKAB CCc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1 2378012 RGHFDHMCTHANRQ-UHFFFAOYSA-N 439.563 5.339 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1cccc[n+]1[O-])c1ccccc1 3221856 OIRIKUVCVWIMNW-GOSISDBHSA-N 438.858 5.464 0 40 IKAB Clc1ccc(N2CCN(c3ncnc4sc5c(c34)CCCCC5)CC2)cc1Cl 3267689 DQDCLKUQOVKYNV-UHFFFAOYSA-N 433.408 5.594 0 40 IKAB C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)csc2C1 3400338 UHURPIRNOIUONF-INIZCTEOSA-N 437.586 5.820 0 40 IKAB CCOc1cc(C)c(C[C@H]2SC(=O)N(CCCc3ccccc3)C2=O)cc1C(C)C 6958351 BNDDVQLPHYURKV-HSZRJFAPSA-N 425.594 5.756 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)cc1 8445616 JKMFCZPZZSCFBC-UHFFFAOYSA-N 448.588 5.849 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3cccc(Cl)c3)c3ccccc3S2(=O)=O)cc1F 8757100 MAFYTVOXJATOHB-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB CCCCN(CC)c1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 8818305 NTSGMYRKUTUCGD-UHFFFAOYSA-N 436.581 5.977 0 40 IKAB C(=C/c1cccc2ccccc12)\c1nc2ccc(Oc3ccccc3)cc2c2c1CCS2 8857317 VAUIUPSCHUNFDN-FYWRMAATSA-N 431.560 7.999 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1cccc2ccccc12 8920108 AQVBTIHPSHBNML-UHFFFAOYSA-N 426.903 5.949 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)ccc1Cl 8974158 BVYOFFLDFIIEIV-UHFFFAOYSA-N 439.920 5.868 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)c1 9161374 HLPBARPESVFEKO-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1nc2ccccc2s1 9187128 SDJLOVFGZPBADX-FQEVSTJZSA-N 428.444 5.292 0 40 IKAB c1cncc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)c1 9433859 DQYLFUCOTFKMJI-OAQYLSRUSA-N 428.455 5.020 0 40 IKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 9463776 YXYCLRDQNZHQKU-GUYCJALGSA-N 431.483 5.323 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1nc(-c2ccccc2)cs1 9531450 QQTAYWOOLFOHTB-UHFFFAOYSA-N 439.591 5.196 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc2C)cc1 10313831 PZTDGFFPWPFEKM-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@H]1CCCO1 12111581 NLUAEVJTIMXVNM-FDDCHVKYSA-N 429.988 5.613 0 40 IKAB O=C(Nc1c(F)cccc1F)N1CCn2cccc2[C@H]1c1ccc(Br)cc1 12344137 NTXVVHGFKVVYIV-LJQANCHMSA-N 432.268 5.166 0 40 IKAB CCCOc1cc(/C=C(\c2nc3ccccc3[nH]2)S(=O)(=O)c2ccccc2)ccc1OC 12604116 PUVRDWVFVRSKKA-JJIBRWJFSA-N 448.544 5.332 0 40 IKAB Cc1cc(=O)c(C(=O)Nc2ccccc2Oc2ccccc2)nn1-c1ccccc1Cl 12611638 GQXSLEYUIFSDOT-UHFFFAOYSA-N 431.879 5.239 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)C(C)(C)C)nc2sc3c(c2c1=O)CCCCC3 12634028 RBQRMNOXTJHLQQ-UHFFFAOYSA-N 440.634 5.732 0 40 IKAB Cc1ccc(-n2c(SCc3c[nH]c4ccccc34)nnc2-c2ccc(Cl)cc2)cc1 13015830 JDEIRADRSYQWKJ-UHFFFAOYSA-N 430.964 6.670 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3n2Cc2ccc(C(C)(C)C)cc2)c1 13063152 VKNWQOWUDVUIQH-UHFFFAOYSA-N 426.604 7.393 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1Cl 13839174 NXFDOTNKVIBJFD-XMMPIXPASA-N 429.907 5.314 0 40 IKAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 14152979 SFWGUSDZQWJUNT-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB CCOc1ccc(NC(=O)CSc2ccc3c4c(cccc24)C(=O)c2ccccc2-3)cc1 16044861 FLOXIESNSDYMMG-UHFFFAOYSA-N 439.536 6.181 0 40 IKAB O=c1[nH]c2ccc(Br)cc2c(-c2ccccc2)c1C1=NN[C@H](c2ccccc2)C1 16492430 KSKWHTQHWZDQNU-FQEVSTJZSA-N 444.332 5.396 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)cc1Cl 17099331 LPLUSYGDVNIZMD-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Br)cc2)o1 17103013 PLHMRWJIGSLFTB-UHFFFAOYSA-N 439.078 5.863 0 40 IKAB Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4ncccc4c3)n[nH]2)cc1F 19703637 RXDBYSLOHRYOAD-RUZDIDTESA-N 434.490 5.195 0 40 IKAB Cc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1C 20196840 ONTKQPYQHKCLGU-UHFFFAOYSA-N 436.318 5.174 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(NS(C)(=O)=O)ccc3Cl)ccc21 20460881 NWQARERCKCAKKZ-UHFFFAOYSA-N 441.940 5.092 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(F)cc2)cc1 20970345 CKWBORNGVKEYCK-DEOSSOPVSA-N 442.494 5.502 0 40 IKAB COc1ccc(CN(C)C(=O)c2cc(-c3ccccc3C)nc3c2cnn3C(C)C)cc1 22181991 MHXZZTXPCAPMII-UHFFFAOYSA-N 428.536 5.268 0 40 IKAB COc1ccc2cc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)c(C)nc2c1 23012050 QCSCNGGMAMOASN-UHFFFAOYSA-N 426.476 5.448 0 40 IKAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(-c2ccc(Cl)cc2)on1 28286849 SBWOYIDHOVCYGA-OAQYLSRUSA-N 444.362 5.605 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N3CCO[C@@H](c4ccc(F)cc4)C3)cccc2c1=O 29113090 ONINZBGQQHYVDD-HSZRJFAPSA-N 443.474 5.121 0 40 IKAB COc1cccc(NC(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)c1 32609883 NQAPVALPVWBGHT-UHFFFAOYSA-N 435.311 5.496 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C[C@@H]3CCOC3)c3ccccc3)cccc2c1=O 32827482 AEHUVVADUWZMQW-FQEVSTJZSA-N 439.511 5.452 0 40 IKAB Cc1cc(C)c(NC(=O)CCCSCC(=O)NC23CC4CC(CC(C4)C2)C3)c(C)c1 33047564 ZNRXHMLDCYAFBQ-UHFFFAOYSA-N 428.642 5.149 0 40 IKAB C=CCOc1c(Cl)cc([C@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC 34705871 MOTHWMARSULHNV-SFHVURJKSA-N 434.945 5.071 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C 37184684 JCKOZHAZEIMISK-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB CCc1ccc(-c2nc(CN[C@H](C(=O)Nc3ccccc3)c3ccccc3)cs2)cc1 40149540 JOZFOVVGUMIXLB-DEOSSOPVSA-N 427.573 5.842 0 40 IKAB COc1ccc(-c2cnc(SC3CCCC3)n2-c2ccc(OC(F)(F)F)cc2)cc1 44087953 STYOMBXZOFVNMI-UHFFFAOYSA-N 434.483 6.481 0 40 IKAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 48342603 GJGYTJNKNCFEPT-UHFFFAOYSA-N 448.486 5.249 0 40 IKAB Cc1ccc(C)c(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 67295011 HHFJOIWTOHGZDY-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)cc2c1 69382998 LKROMDOVKUAHLS-NRFANRHFSA-N 425.891 5.514 0 40 IKAB CCCc1nn(-c2ccccc2)c(O)c1Sc1nc(-c2ccc(Cl)cc2)cs1 101345716 QWSSHJHTAIONDZ-UHFFFAOYSA-N 427.982 6.459 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1Cc1ccccc1 206292893 VRGGTDCISWWHIJ-HYARGMPZSA-N 435.932 6.156 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(C)cc4)c(Br)c3n2)cc1 215881215 GHQQSVYYEOTJTF-UHFFFAOYSA-N 446.270 6.461 0 40 IKAB COc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1OC 219773855 CUQYAYDFLYJVAJ-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB CCOc1ccc(CNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OCC 219842086 MPMNNJJLKFXXNB-UHFFFAOYSA-N 439.939 5.646 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223643996 CUPHNNGSEHXDJD-XMMPIXPASA-N 438.612 5.023 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)c1 223950667 RZLRDISALURGRF-XMMPIXPASA-N 436.577 5.313 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(C(C)(C)C)cc1 224181129 NLLFPODVMAHYOA-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)c1 224312433 ARXQGEAAKZNVGJ-LOSJGSFVSA-N 440.572 5.372 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)cc1 224343165 LZWVGRMFZYSICI-CLJLJLNGSA-N 438.600 5.920 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccccc3)o2)N1c1ccc(Cl)cc1 224475998 BIPKZPGAMOOSAW-GOTSBHOMSA-N 431.948 6.172 0 40 IKAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224538070 UROVKCLKWBEHJK-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 224616301 HKHJPKROTUZHMF-XZOQPEGZSA-N 431.492 5.363 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C)c(C)c1 224619980 XIQDNHFQJDWVLK-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)nc1 224891864 LGZIIRGYTMAENK-ZEQRLZLVSA-N 443.551 5.200 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225014941 KYFJJUFLJMAPNJ-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 225098109 DZGNQMYTBDEPGW-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccco2)cc1Cl 225120196 GFVJFXXGOSLDJZ-UXHICEINSA-N 440.956 5.100 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225354241 AIXJGPAIPFJLNB-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225602144 JGEOBRJLNPBMSH-WMZHIEFXSA-N 429.004 5.303 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C 225628779 DMQWJCDALLRQOH-WUFINQPMSA-N 427.588 6.245 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225696536 UIZGUJNFBHQAMB-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CC(C)c1ccc(NC(=S)NCc2nc(-c3cccc(Br)c3)no2)cc1 225825032 DLABPHBGOSPQTJ-UHFFFAOYSA-N 431.359 5.109 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@@H](c1ccccc1)N2 227620730 FTGWMAWRYWOGKN-OLCGIFQUSA-N 430.498 6.514 0 40 IKAB O[C@@H]1CCN(c2ccccc2)C[C@H]1[C@H](Nc1ccc2ncccc2c1)c1ccc(F)cc1 257244074 IJSYNBFMZISAFA-ZRJLEYOISA-N 427.523 5.415 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257341869 ZMGLXSAKANUSIQ-LJQANCHMSA-N 431.923 5.487 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)c1 408558822 WFNGXAPKBSJVEZ-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1C 408594059 DWRVNOQLELAWDZ-UHFFFAOYSA-N 446.576 5.402 0 40 IKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 408613816 VXAJFVHGQHJNPQ-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1C 408644236 SECUKNSPQUZJKP-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Br)cc2)c1 408699871 WQOPCKXOGPNXSD-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CN(C(=S)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 408734897 GTFSNQZNSRZJOV-UHFFFAOYSA-N 446.579 6.797 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)C1=O 409011824 HZXWWTSRWIZFGR-BTAWCLGRSA-N 428.348 5.080 0 40 IKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409110594 WYOKEZIEBQOMJD-UHFFFAOYSA-N 440.337 5.901 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409182753 NQGRDROIXCVKCC-PCLIKHOPSA-N 439.898 6.417 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1cccc(Cl)c1 684634 HJPGXYMLMYKZAL-FQEVSTJZSA-N 426.929 5.138 0 40 IKAB CCc1ccc2nc(-c3ccc(C)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 993142 MWKKJDHSYLUCPK-UHFFFAOYSA-N 426.516 6.042 0 40 IKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 1408523 NIVXSDOAQUQKPK-UHFFFAOYSA-N 444.560 5.623 0 40 IKAB CCc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 1915274 HOOKOFWXFDRMRW-CXUHLZMHSA-N 449.934 5.677 0 40 IKAB CCCC1CCC(c2ccc(-c3noc(-c4ccccc4Br)n3)cc2)CC1 2030748 QHDMBQHZTDFGSD-UHFFFAOYSA-N 425.370 7.240 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)sc(C)c1C 2081863 YEKMBFRMXWWZMI-UHFFFAOYSA-N 444.556 6.318 0 40 IKAB CCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 2408312 WNMKBBSHSWGILC-OAQYLSRUSA-N 446.528 5.323 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 2568825 WSFZBUGXJIZSPS-UHFFFAOYSA-N 434.245 5.493 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)cc4C)c3)nc2c1 2593794 ITDNQHXFJISAAX-INIZCTEOSA-N 432.951 7.531 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)c1cc(C)n(C)c1C 2616306 BDEOTBRZKQVPMO-UHFFFAOYSA-N 446.934 5.859 0 40 IKAB CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 2646611 KUEMQRIZRUKAJQ-GFCCVEGCSA-N 448.013 5.129 0 40 IKAB OC(CSc1ccc(Cl)c(Cl)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128416 UGQWXXDLGPXOCJ-UHFFFAOYSA-N 444.210 7.328 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2)n(C2CCCCC2)c2nc3ccccc3nc12 3169336 IIWIBKXFVQGPIQ-UHFFFAOYSA-N 442.519 5.519 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)/C=C/c1cccc(C(F)(F)F)c1 3276326 IQEKHJQPRCLCHV-DHZHZOJOSA-N 435.442 5.207 0 40 IKAB O=C(COC(=O)CSc1cccc2cccc(Cl)c12)Nc1ccc(F)c(Cl)c1 3351026 KITNNTXJDYEWPG-UHFFFAOYSA-N 438.307 5.560 0 40 IKAB CC(C)c1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2F)c2ccccc23)cc1 8594905 FAPYYQSFCKCCSL-SANMLTNESA-N 446.547 5.429 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N[C@H](C)c3ccc(-c4ccccc4)cc3)o2)cc1 8633969 PJGLYMJJKIYJDY-QGZVFWFLSA-N 445.544 5.382 0 40 IKAB Cc1ccc(CSc2nnc(C[S@](=O)Cc3ccc(Cl)cc3Cl)n2C)cc1 8670317 DNBBECPIWLKEEU-MHZLTWQESA-N 440.421 5.172 0 40 IKAB Brc1ccc(Cn2c3c(c4ccccc42)CCc2cc4ccccc4nc2-3)cc1 8762618 OKBFQUQISYQGQT-UHFFFAOYSA-N 439.356 6.766 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 8887846 VNUWGUDJGHUNBB-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB COc1cccc(-c2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)c1 8900929 SNKQCTGCYYNXKH-UHFFFAOYSA-N 426.592 5.766 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 9225824 DTFWLIGJHJAGTO-VWLOTQADSA-N 428.513 5.459 0 40 IKAB O=C(NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)c1ccc(Cl)cc1Cl 9368563 UQLVOIDCBUKMRE-UHFFFAOYSA-N 447.269 5.185 0 40 IKAB Brc1ccc(CSc2nnc(-c3cccnc3)n2Cc2ccco2)cc1 9424518 GPIBKKJDYDUHBU-UHFFFAOYSA-N 427.327 5.036 0 40 IKAB Cc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 9660233 WCKFWHFGLKBTJV-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB biogenic CC(C)(C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 9666821 QXEKOVUWTMOZKW-UHFFFAOYSA-N 435.524 5.200 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 10019894 NHVYSMFBCDSZOC-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 10119185 JEMXZHICGPLNKA-INIZCTEOSA-N 432.907 5.328 0 40 IKAB CCN(CC)CCN(C(=O)c1cc(C)ccc1C)c1nc2c(SC)cccc2s1 10813232 VNHCYCUMAJXNET-UHFFFAOYSA-N 427.639 5.624 0 40 IKAB Cc1nc(-c2cccnc2)sc1-c1ccc(SCc2ccc(C(F)(F)F)cc2)nn1 11613073 PCBALVYSZBULNB-UHFFFAOYSA-N 444.507 6.282 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)c1 12195655 ZRJVQQDBLOTKDL-LADGPHEKSA-N 436.964 6.313 0 40 IKAB C[C@H](Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12526484 KDWFEDCUIFBJAE-IBGZPJMESA-N 441.531 5.376 0 40 IKAB Clc1ccccc1-c1csc2ncnc(Oc3ccc(OCc4ccccc4)cc3)c12 12625039 ZRECHBAMRMTXJQ-UHFFFAOYSA-N 444.943 7.383 0 40 IKAB CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCN5CCCC5)CC[C@]4(C)[C@@H]3CC[C@]12C 12660709 LCHQKKCWNVVBHJ-DTAHTLNWSA-N 441.656 5.552 0 40 IKAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)/C=C/c1c(C)nn2c(C(F)(F)F)ccnc12 12789961 BPKYTWCDXKCUGE-VQHVLOKHSA-N 432.446 5.015 0 40 IKAB COc1cc(C(=O)OCc2nc3ccccc3s2)ccc1OCc1csc(C)n1 12855697 GAYPNDSTETUJBY-UHFFFAOYSA-N 426.519 5.006 0 40 IKAB CCc1ccccc1Nc1nc(N)nc(CSc2ncc(C(F)(F)F)cc2Cl)n1 13039842 XLZUXDADVARQEW-UHFFFAOYSA-N 440.882 5.119 0 40 IKAB C[C@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl 13058036 MGSMVJBFZFXQNL-QGZVFWFLSA-N 427.375 5.720 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 13114684 SZTAAXIJTVOUTL-INIZCTEOSA-N 443.528 5.187 0 40 IKAB Clc1ccc(CCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)c(Cl)c1 13150357 RRURDCVEFOSRFW-UHFFFAOYSA-N 437.374 5.823 0 40 IKAB O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccccc2)c(N2CCOCC2)s1 13150446 MALBFYREPWQSCS-UHFFFAOYSA-N 431.916 5.401 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1[C@H](C)c1ccccc1 13512022 CPEVTSMWOOCZRT-QGZVFWFLSA-N 432.549 5.495 0 40 IKAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 14900848 IIAJCVUJRDVLMF-UHFFFAOYSA-N 442.466 5.120 0 40 IKAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 15999284 MIZXUVKJOMJXDA-CQSZACIVSA-N 429.995 5.334 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccccc2)cc1 17095890 ZGGGUMUJCUTEBZ-UHFFFAOYSA-N 428.513 5.233 0 40 IKAB CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 19450604 SZNDIVOHKMRXMW-VWLOTQADSA-N 449.620 5.314 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cc(C(C)C)n[nH]3)cc2)O[C@@H](C(C)C)C1 19711766 GEAFTRYXOONBCS-HUVFLSCGSA-N 426.605 5.372 0 40 IKAB CCN(C(=O)c1cnc(C)cn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711969 ILQXMTIYZNUKMF-LADGPHEKSA-N 437.490 5.113 0 40 IKAB O=C(Nc1nccs1)c1cc([C@@H]2CCN(C(=O)CC3CCCCC3)C2)nc2ccccc12 19761630 LFFVXVFYYWLOPK-GOSISDBHSA-N 448.592 5.230 0 40 IKAB COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1Cl 20745829 XQWAUONTQZSDLL-INIZCTEOSA-N 431.279 5.037 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1Cl 21099897 DNQHWFOSAGYOOC-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)[C@H]3CCCN(c4ccc(C)cc4)C3)C(C)C)n2)cc1 22255820 SKEXPTDKWSHGOU-QFIPXVFZSA-N 432.568 5.007 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(CCc4ccc(F)cc4)c3C)ccc12 23053433 TXODRTPWGUROIW-UHFFFAOYSA-N 433.479 5.163 0 40 IKAB Cc1ccc(C)c(-n2c(SCc3nnsc3Cl)nc3sc(C)c(C)c3c2=O)c1 24990349 JJVSCNDADAKHTH-UHFFFAOYSA-N 449.026 5.478 0 40 IKAB COC(=O)c1occc1CSc1nnc(COc2c(C)cccc2C)n1-c1ccccc1 25025510 IOKNGBWJNDRPKE-UHFFFAOYSA-N 449.532 5.135 0 40 IKAB CCCCOc1ccc(-c2nc3c4cnn(-c5cc(Cl)ccc5C)c4ncn3n2)cc1 27795869 LABIIZVYFJBRKC-UHFFFAOYSA-N 432.915 5.271 0 40 IKAB COc1cccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)c1 35400569 NSOSAEIVBGOQHY-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB COCc1nn2c(ncc3c(=O)n(CCC4=CCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397784 RBGAIOBWHCQCKB-UHFFFAOYSA-N 448.954 5.402 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)c(Cl)c2)cc1 44838711 GVGLXEZFLGYXFA-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CC(C)c1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 45925431 FIQVPPPVTHDHBF-UHFFFAOYSA-N 427.495 6.831 0 40 IKAB CCc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 46005305 IFHJOYAZCXIBDB-UHFFFAOYSA-N 438.556 5.843 0 40 IKAB CCc1cc(Br)ccc1NC(=O)COC(=O)c1ccc(Cl)c(Cl)c1 51358012 BLHQJEOQDHVYBR-UHFFFAOYSA-N 431.113 5.114 0 40 IKAB C[C@@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccc2ccccc12 71605933 WCWVMVITTKGHJZ-NDEPHWFRSA-N 437.495 5.678 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ccc(Nc5ncccc5C)cn4)C3)cc2s1 72353374 ZXPIMAQPJPSEMV-LJQANCHMSA-N 443.576 5.467 0 40 IKAB O=C(c1cccc2ncccc12)N1CCC[C@H]1c1ccc2c(NCc3ccccc3)n[nH]c2n1 72374529 MEZJNPZJSRUEKY-DEOSSOPVSA-N 448.530 5.096 0 40 IKAB Cc1c(Br)c(N)c(Br)c2nc(-c3ccc(C(C)(C)C)cc3)oc12 73639349 LOSTUBRMNRGPSM-UHFFFAOYSA-N 438.163 6.208 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3nc(-n4nc(C)cc4C)ccc3Cl)cc2)cc1 89637076 JWITUUPIUCBYSC-UHFFFAOYSA-N 432.911 5.891 0 40 IKAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 89953273 CTSWGEUCCZDJNH-KRWDZBQOSA-N 431.558 5.022 0 40 IKAB FC(F)(F)c1ccc(-c2noc(-c3ncn4c3CO[C@H](c3ccccc3Cl)C4)n2)cc1 97077553 VPQJMYTYPUUJHY-KRWDZBQOSA-N 446.816 5.544 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccc(C)cc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100427119 GJOLVIJGYYPNSF-UZTOHYMASA-N 428.507 6.772 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2c(NCc3ccccc3)c3ccccc3oc2=O)cc1 101094175 XWSHCIQBSUMIHI-UHFFFAOYSA-N 426.516 5.955 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102640714 YSZKCWIBVNWOTP-IHFIDZABSA-N 428.576 6.244 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 102676499 ZCJKFYHNWQJUCU-FBYKWQDJSA-N 430.529 5.220 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Br)c1OCc1ccccc1 107027537 WVKVGGMLYKMCOB-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223220148 FHDRKHVFDNGUSM-SANMLTNESA-N 444.619 5.803 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 223358004 OGVAKSURSUJATP-NRFANRHFSA-N 445.003 5.058 0 40 IKAB Cc1ccccc1CN(C(=O)COc1cccc2ccccc12)[C@@H](C)C(=O)NC1CCCC1 223781391 LEJIOLPLGKNLKU-NRFANRHFSA-N 444.575 5.003 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 223996082 QJTHSKNQBLGQNG-UHFFFAOYSA-N 440.590 5.585 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224113799 ALRXDTSWNJZVNH-MHZLTWQESA-N 442.603 5.094 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)cc1C(C)C 224210223 SYPOESHJDGHVBM-UHFFFAOYSA-N 425.550 5.507 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224363541 VRFVULCKIQAHKV-JWQCQUIFSA-N 430.621 6.299 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 224395103 NHMVMGMECMCQJA-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1cc(C)cc(C)c1C 224611747 NNRILDHYLSHLLH-UHFFFAOYSA-N 449.547 5.859 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)cc1Cl 225369722 NCBIPEIQNZAURQ-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225721088 MQLAVBDEQCCJOP-QHCPKHFHSA-N 426.626 5.118 0 40 IKAB CCN(C(=O)C(F)(F)F)c1ccc2nc(-c3ccc(OC)c(Br)c3)oc2c1 226284077 SFKGQEBWEGWBED-UHFFFAOYSA-N 443.219 5.181 0 40 IKAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(I)c1 226333926 YVQPGAGSCBAJDX-QHHAFSJGSA-N 449.071 5.275 0 40 IKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@H](Oc2cccc3cccnc23)C1 240067703 RZHCODHUOMWQBU-KRWDZBQOSA-N 448.872 5.520 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4ccc(F)cc4[nH]3)o2)c1 257207936 BJYIEFBJRALXQE-QHCPKHFHSA-N 433.483 5.262 0 40 IKAB COc1ccccc1-c1ccc(CC2(C(=O)NCCc3ccccc3)CCOCC2)cc1 257222627 DUBPIAROPWVVTN-UHFFFAOYSA-N 429.560 5.060 0 40 IKAB Cc1cccc(Cc2cncc([C@@H]3CCCN3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 257232873 GMUOGKSIRYFORM-IAPPQJPRSA-N 443.591 5.271 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Br)cc1 408564089 XPBGLJIEIARCHD-LNVKXUELSA-N 429.383 5.611 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(F)cc2)cc1 408622071 AMKTVYBMDRPVTI-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3Br)C2=O)cc1 408972435 BTHTUGPDWVDXTK-WOJGMQOQSA-N 431.355 5.678 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 409100439 VZNVCKWSACVCTR-IAGOWNOFSA-N 441.000 5.469 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccccc1Cl 409112747 CONIZXMKFYRZFQ-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(Cl)c(Cl)c1 409176344 LBEBOHWBXMQKOA-UHFFFAOYSA-N 428.271 5.285 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 409383962 RLYNTIQUYUZZDW-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2O)c(C)c1 409412262 CSSIEARUBZPYGE-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB COc1ccccc1N1CCN(C(=O)c2cccnc2Oc2ccc(C(C)(C)C)cc2)CC1 643614 CGWBONMVZZTJBB-UHFFFAOYSA-N 445.563 5.142 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 883232 ZUCGVFQTDNUEIS-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB Cc1cc2cc(CN(Cc3cccs3)C(=S)NCc3ccccc3)c(=O)[nH]c2cc1C 884688 GZFSGWMUEUYPDP-UHFFFAOYSA-N 447.629 5.283 0 40 IKAB COc1ccc(Oc2coc3cc(OC(=O)c4c(C)cc(C)cc4C)ccc3c2=O)cc1 945045 CQUDOMKUFJAQQQ-UHFFFAOYSA-N 430.456 5.738 0 40 IKAB biogenic Cc1sc(NC(=O)c2ccco2)c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C 1298126 XXDRSVFODXQWQP-OAQYLSRUSA-N 437.952 6.460 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1352947 RRISDNBHFPYNOA-UHFFFAOYSA-N 449.913 5.863 0 40 IKAB CC(C)c1nc(SCC(=O)Nc2ccc(N(C)C)cc2)c2c3c(sc2n1)CCCC3 1378875 ZBSLVIPNRNOGIB-UHFFFAOYSA-N 440.638 5.490 0 40 IKAB COc1ccc2c(c1)c(-c1cc3ccccc3oc1=O)cn2C(=O)c1ccc(Cl)cc1 1614269 YDQNPSMRHAFUSF-UHFFFAOYSA-N 429.859 5.765 0 40 IKAB Cc1cccc(Cc2cnc(NC(=O)CCCOc3ccc(Br)cc3)s2)c1 1769912 XEJPWHXGGIQBKM-UHFFFAOYSA-N 445.382 5.603 0 40 IKAB CC(C)(C)c1cc(OC(=O)c2ccc(Br)cc2Br)ccc1O 2061871 NKDJBDJRMYYEFU-UHFFFAOYSA-N 428.120 5.434 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1C 2074098 OOGVYDNKYYFRMU-UHFFFAOYSA-N 433.964 6.298 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 2083305 XUGISPSHIFXEHZ-SZAJEQEISA-N 428.701 7.960 0 40 IKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4c(Cl)cccc4Cl)nc(N)c23)CO1 2221575 ISOBIOLLZUUAHD-AWEZNQCLSA-N 440.421 5.970 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2283441 JEUARMZCGOGJAK-HNNXBMFYSA-N 430.639 6.193 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc3nc2C1 2312399 HQAMVLYGZMECKD-UHFFFAOYSA-N 434.348 5.593 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cc(Cl)ccc1Cl 2646320 VWGSDLAUUNBORX-JTQLQIEISA-N 425.366 5.708 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12 2752640 GZDRTPMEPSTGEY-UHFFFAOYSA-N 448.953 7.075 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)c1 4122983 BAUZOLJARDWYPJ-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C 4247794 CKMZPJPIUFLWTL-JOCHJYFZSA-N 426.557 6.171 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1Cl 8832138 QXRISVUJDALYDD-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2F)N(CCc2ccccc2)C3=O)c(O)c1 8845773 CDBXDUHKZNIZDK-VWLOTQADSA-N 427.479 5.018 0 40 IKAB COCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccccc1Cl 9059914 OARJDUPAFYCWAS-UHFFFAOYSA-N 436.943 5.590 0 40 IKAB Fc1c(F)c(F)c(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(F)c1F 9124924 ASDHBAJJTOLHKR-QMMMGPOBSA-N 433.427 5.032 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9309175 NMDCTWSLRQJCNG-UHFFFAOYSA-N 431.580 6.972 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 9355151 HWPRBPHCIPVADC-NTEUORMPSA-N 432.976 7.392 0 40 IKAB COc1ccc(-c2c(Nc3ccccc3)oc3c2c(=O)n(C)c2ccccc32)cc1OC 9410964 SAGSJXLTPWWVET-UHFFFAOYSA-N 426.472 5.713 0 40 IKAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1c1ccc(OC)cc1 9515366 SRMPOIUQSVGZFO-GCJKJVERSA-N 437.565 5.023 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 9595315 FNTHSGWHAPVJOH-DEOSSOPVSA-N 427.935 6.634 0 40 IKAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)s1 9712653 FJJJNXZYWIBTBL-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB CS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 9712703 FAHDDZYJMCOVFE-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=O)Cc4ccc(Br)cc4)c3)sc2c1 10109665 GZMZMHSCAIAIOJ-UHFFFAOYSA-N 437.362 6.215 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(F)cc1)N(c1nccs1)C3=O 10233035 RZAVJRIVORZFKG-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@H]12 10272231 ANTLLZHQDMIOLB-RZIGTNDMSA-N 447.446 6.959 0 40 IKAB biogenic COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc12 10874096 AEOWROMYJBOPSI-JTQLQIEISA-N 443.377 5.499 0 40 IKAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 12553098 BWWIKNUVHFJQIZ-MRXNPFEDSA-N 444.560 5.669 0 40 IKAB COc1ccc(-c2noc(COc3c(C)cc(Br)cc3Cl)n2)c(OC)c1 12913248 MSRJICZXNTXQJW-UHFFFAOYSA-N 439.693 5.057 0 40 IKAB FC(F)(F)c1cnc(-n2nccc2-c2ccc(Sc3ccccc3)cc2)c(Cl)c1 12960468 UIQPGJOKERPXRL-UHFFFAOYSA-N 431.870 6.758 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3ccc(Cl)cc3)cs2)cc(OC)c1 13010333 UTSVWQLRRXYJRL-UHFFFAOYSA-N 434.970 5.287 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 13075350 PWXKJHMJXGTALZ-UHFFFAOYSA-N 430.392 5.896 0 40 IKAB c1ccc(C(CCN2CCC[C@]3(C2)Nc2ccccc2-n2cccc23)c2ccccc2)cc1 13564191 COJUZJPGFKPJMQ-SSEXGKCCSA-N 433.599 6.416 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1C)C1CCCCC1)c1nnnn12 13568290 XTNUOQYJBJKORO-UHFFFAOYSA-N 428.540 5.261 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(Br)cc1 13673159 BBNBUPFGOORKFW-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1cccc(Cl)c1C 14126546 JQMQPIQBGUDUJC-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccc(-c2nc(CC(=O)NCc3ccc(-c4csc(C)n4)s3)cs2)cc1 14186274 ZBDIDBGJBUZXJA-UHFFFAOYSA-N 425.604 5.471 0 40 IKAB CCOc1ccccc1N(C(=O)Cc1c[nH]c2ccccc12)c1nc2ccccc2s1 14380948 CTPPAKFSXIFSNP-UHFFFAOYSA-N 427.529 6.084 0 40 IKAB O=C(Nc1ccc(Br)c(Br)c1)c1cccc(Br)c1 15014078 TTZSFQVVANRZIC-UHFFFAOYSA-N 433.925 5.226 0 40 IKAB CCc1ccc(-c2cs/c(=N\c3ccc(SC(F)F)cc3)n2[C@@H](C)COC)cc1 15913713 ZGSGZYHQNBCHDI-APDGPGDQSA-N 434.577 6.534 0 40 IKAB COc1ccc(C(=O)Oc2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)cc2)cc1 15947852 VAJRHDYJZWCOPC-RCDICMHDSA-N 448.544 5.530 0 40 IKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NCc1ccc(C(F)(F)F)cc1 16301980 DBYQLUYCPBDLOZ-UHFFFAOYSA-N 440.874 5.253 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(Br)cc1 19681489 BETORZKWQPZESJ-UHFFFAOYSA-N 435.346 6.034 0 40 IKAB CCCCCCOc1cccc(NCCOc2ccc(C(C)(C)C)cc2C(C)(C)C)c1 19738340 GHLBTPXHULRYJG-UHFFFAOYSA-N 425.657 7.732 0 40 IKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(Cc1ccc2c(c1)OCO2)CO3 19882431 CDOHCYIUPLJUID-UHFFFAOYSA-N 447.874 5.194 0 40 IKAB CCOc1cccc2sc(-n3nc(C)cc3NC(=O)c3ccc4ncsc4c3)nc12 21686190 BEPKUMACOONIIK-UHFFFAOYSA-N 435.534 5.051 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 26580594 WHDCWXDYGBQFQI-NBIORXPHSA-N 436.511 5.822 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(NS(=O)(=O)c2cccs2)cc1 27246655 CZXUPYHIURXIMJ-UHFFFAOYSA-N 434.542 5.053 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 27792680 GIWVFLOKDARPCX-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CN(c1ccc2sc(C(=O)Nc3ccccc3)cc2c1)S(=O)(=O)c1ccc(F)cc1 28209063 BEYCDWTVDWQTHY-UHFFFAOYSA-N 440.521 5.118 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2cc1C 28289094 PEFVANLWISBZKQ-HSZRJFAPSA-N 446.591 5.274 0 40 IKAB CCc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)nc3ccccc23)N2CCCC2)cc1 28293399 UZHZJJMPHBLGFD-GDLZYMKVSA-N 449.598 6.031 0 40 IKAB Cc1cccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)c1 28402996 GYBSAXRICIVDSN-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CCCCN(C(=O)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O)c1ccccc1 28701358 FSQHKRUSOCLJOJ-UHFFFAOYSA-N 432.907 5.588 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cnc4onc(C)c4c3)ccc2OC(F)F)cc1 30940083 RMRFJTAQUUVTKE-UHFFFAOYSA-N 425.391 5.061 0 40 IKAB O=C(Cn1ccc2ccccc21)Nc1sc2c(c1C(=O)NCc1ccccc1)CCCC2 32124809 IRZNADVFIRDWLD-UHFFFAOYSA-N 443.572 5.150 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32126895 CVXFPPKPTGUNQM-UHFFFAOYSA-N 426.350 5.129 0 40 IKAB Cc1nonc1COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 32593359 VSXPARXJTNJTSG-UHFFFAOYSA-N 442.500 5.486 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1 32900340 SERQZPKBALNTEU-KRWDZBQOSA-N 440.465 5.720 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1 33737146 AQKWZWDJQLPBHR-UHFFFAOYSA-N 446.016 5.636 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(Cl)nc2c1 35289699 GLFMQUXEEIKBJW-UHFFFAOYSA-N 448.906 5.669 0 40 IKAB O=C(Nc1ccc(CN2C(=O)CSC2=O)cc1)c1ccc(-c2ccccc2Cl)o1 58157650 SJDXVBACEQVDEF-UHFFFAOYSA-N 426.881 5.048 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1C 58175570 KFLIWZASLSTNTD-UZLBHIALSA-N 433.577 5.370 0 40 IKAB Cc1csc(Sc2ccc(NC(=O)N[C@H](Cn3ccnc3)C(C)(C)C)c(C)c2)n1 58313349 NOVOUDWGPRITTC-GOSISDBHSA-N 429.615 5.344 0 40 IKAB C[C@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@H](C)O1 64415848 PSVNWGQGOJNVSA-UWVGGRQHSA-N 449.165 5.561 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)c1 67258963 BAGFHPLHLDNMAT-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(CCc5ccccc5)c(=O)c4c3C)n2)c1 67260267 NTICWDZSTFETIM-UHFFFAOYSA-N 428.517 5.035 0 40 IKAB COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc(OC)c1 67297140 KUVRTHDWKZFLTO-RQZHXJHFSA-N 428.488 5.552 0 40 IKAB CCOc1ccc(OCc2nnc(S[C@H](C)C(C)=O)n2-c2ccc(C)c(Cl)c2)cc1 72105719 DCKDDGABGPKWEG-MRXNPFEDSA-N 445.972 5.276 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 72285151 BUMVWHVRXIIXED-INIZCTEOSA-N 439.556 5.027 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344088 ZTPFBQATVSMIJA-DEOSSOPVSA-N 434.555 5.327 0 40 IKAB CCOc1cccc(CNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 113958695 DGCCYQPOZUWLPS-UHFFFAOYSA-N 442.603 5.470 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 142810852 RLGMROYKWLVTCP-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1nnsc1C(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 206892657 VKNFVKYHBZFFPX-UHFFFAOYSA-N 429.477 5.244 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219844177 JJMBYEPQKCURAC-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222670986 CQJYFWDVWZAVNN-SFHVURJKSA-N 447.044 5.544 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223346365 MNTPUNXIDYAMGK-QFIPXVFZSA-N 429.004 5.221 0 40 IKAB CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223557378 MGRCSAOALFCUOT-JOCHJYFZSA-N 430.592 5.149 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 223913365 BDYHVAZCVRVSPC-INIZCTEOSA-N 435.395 5.042 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1Cl 224134444 MGNUJJRZRNBTMW-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc(-c2ccccc2)cc1 224216445 GZBDNWYKMUQTSW-UHFFFAOYSA-N 443.930 6.847 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1C 224280394 DHESPFPWKPMKGR-JWQCQUIFSA-N 443.547 6.275 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)c1 224295449 WHFACYPAKDJCNT-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)cc1 224305415 MCOLHMKIUDNTPT-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C 224364610 PEUVQORQFMMQSW-LOSJGSFVSA-N 432.637 6.381 0 40 IKAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224628491 XQANKNLBJQGEJL-JOCHJYFZSA-N 447.044 5.198 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C)cc1 224677536 CHAIZDWMHNOOOW-DQEYMECFSA-N 440.572 5.698 0 40 IKAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225578721 ICWXFXJBLJUPSM-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1Cl 225687882 SGUMKVNAIPXKAX-GOSISDBHSA-N 448.972 5.114 0 40 IKAB COC(=O)/C=C/c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OC)c1 226364616 XVSRYKZHMJEFNN-ZHACJKMWSA-N 441.277 5.016 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@](O)(c1ccsc1)c1cccs1 253398192 GSBLLUXTFMAIED-NRFANRHFSA-N 444.965 5.092 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cnccc23)CC1)C1(c2ccccc2)CCOCC1 257227768 FQUJBWZPBOIRGO-QFIPXVFZSA-N 428.576 5.154 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1 257235033 GWDUVNSQTCDHSG-IBGZPJMESA-N 442.943 5.519 0 40 IKAB Cc1ccc2oc(CN3CCCC[C@@H]3C[C@@H](NC(=O)C(C)(C)C)c3ccccn3)c(C)c2c1 257241915 IAFKJXIADCKNDQ-ZJSXRUAMSA-N 447.623 6.093 0 40 IKAB COCc1cc(CN2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C 257291553 QHMXNZLCYDDGMS-MHZLTWQESA-N 448.582 6.082 0 40 IKAB Cc1ccccc1NC(C)(C)C(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257334845 YHPMXXMBBSCYGA-UHFFFAOYSA-N 429.568 5.125 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(C)cc2)n(CC)c1-c1ccc(Br)cc1 408559661 ASMQFFSAZZAJQF-GYHWCHFESA-N 443.410 6.001 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C(=O)c1c(-c2ccccc2)cc2ccccn12 408635421 AXWPQAMZJDNAED-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1 408647776 XKUKAJNIOBGTDS-SFHVURJKSA-N 434.923 5.741 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccc(F)cc1 409016188 UYKDPDOFRAHWMJ-ZDLGFXPLSA-N 431.250 5.485 0 40 IKAB Clc1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 409103541 DHKNSNGBMMZTSZ-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1cccc(C(F)(F)F)c1 409181933 GRTAGDCNAPCGTD-UHFFFAOYSA-N 427.422 5.757 0 40 IKAB Nc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc2nc(-c3ccncc3)ccc12 661159 APBBJNQXSZYMCY-UHFFFAOYSA-N 448.857 5.865 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)[C@H](C)Oc3ccc(C)cc3)cc2)cc1 683012 QRLLRWRHJXMYHG-PMACEKPBSA-N 432.520 5.115 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 884407 HNFSNCPPJWSPDH-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1cccc2cc(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 1224277 AQSRQQFGBRQSQH-UHFFFAOYSA-N 448.979 5.284 0 40 IKAB Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)NCc3ccccc3)c(=O)[nH]c2cc1C 1371195 ZPGQAGGWENEEGK-UHFFFAOYSA-N 443.522 5.196 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1371275 AHYCPUIUEUUVAX-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB CCOc1cc2c3c(c1)-c1c(sn(-c4cccc(F)c4)c1=S)C(C)(C)N3C(=O)C2=O 2232851 ZZGOGEDWGKTFAP-UHFFFAOYSA-N 440.521 5.251 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@@H]1c1cccs1 2257663 RHRLVSWJRHZUNP-NHCUHLMSSA-N 448.548 5.761 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(Nc4cccc(F)c4)ncnc32)cc1Cl 2714229 MIRRTXWIYRNTCM-UHFFFAOYSA-N 428.898 6.932 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC(=O)c1ccc(Cl)cc1Cl 3233293 ZUFXQPNYFWESBP-UHFFFAOYSA-N 442.509 5.759 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3245400 CGUDDEHJWZKUSN-AWEZNQCLSA-N 426.611 6.143 0 40 IKAB O=S(=O)(c1ccc(Br)c(Cl)c1)c1ccc(Br)c(Cl)c1 3272349 NRCLGXXRHZAIDE-UHFFFAOYSA-N 444.959 5.351 0 40 IKAB O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccc(F)cc1 3277764 IWAKNHOQEDEBPZ-VWLOTQADSA-N 429.520 5.453 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 4124952 YEDHIURUHGJSEK-XMMPIXPASA-N 442.588 5.558 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6409495 LTTPJNNZZFCVNO-LJQANCHMSA-N 433.621 5.607 0 40 IKAB CCOc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1O 8396714 WFJJQGIPNNPAOO-JTSKRJEESA-N 426.925 5.748 0 40 IKAB Cc1c(C(=O)Nc2ccc(C(C)C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 8753799 YSSXNPZUWIKXCE-UHFFFAOYSA-N 437.503 5.760 0 40 IKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8758346 QCTJDMJBPGJCMG-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB O=C(c1cccs1)n1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)n1 8782081 ZQVAIJOKTUXYGD-UHFFFAOYSA-N 429.328 6.186 0 40 IKAB CN1CCC2(CC1)C[C@H](NC(=O)c1ccc(-c3ccc(F)cc3)s1)c1ccccc1O2 8900762 BZMLFEOEKVJLET-FQEVSTJZSA-N 436.552 5.272 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063400 ZWSPDUVEVFSYNW-UHFFFAOYSA-N 434.967 5.770 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3ccccc3Br)ccc2Oc2ccccc21 9134691 ISEAVJXIRGDXHL-UHFFFAOYSA-N 437.293 5.474 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc12 9546660 SUFDSFSFXRWWCA-OAHLLOKOSA-N 434.590 5.464 0 40 IKAB C[C@@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 9630849 KGRJGMJGHMWSNO-ZJRYTYELSA-N 443.012 5.989 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1c(F)cccc1F)oc1ccccc12 9632266 UZHZJTNPKQRTDJ-GFCCVEGCSA-N 425.387 5.057 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 9833755 FHPDPEHHEUNAFU-AREMUKBSSA-N 430.573 5.372 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl 10128826 ZUUVNGVDJMKALU-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2C)cc1 10314455 QJJMHRBSLJKRIF-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Fc1ccc2nc(-c3ccc(Br)cc3)nc(SCC3CCCCC3)c2c1 12487965 MRNMHHMQSBUPNW-UHFFFAOYSA-N 431.374 6.871 0 40 IKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)Nc2cc(C)on2)cc1 12527859 FLGJUTZGMSBFGR-UHFFFAOYSA-N 435.402 5.243 0 40 IKAB Cc1cc(F)ccc1NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2 12540978 DZWFYVRZXPWBAB-UHFFFAOYSA-N 427.500 6.230 0 40 IKAB O=C(Nc1ccccc1)Nc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 12541820 IYXAWYUAZHHXHN-UHFFFAOYSA-N 435.427 5.150 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 12567203 NARUTUSEMYIHEC-UHFFFAOYSA-N 425.756 6.174 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)o2)cc1 12615428 WQTKZWIYVXGSBF-NRFANRHFSA-N 447.516 5.226 0 40 IKAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(C(F)(F)F)cc1 12623883 MLPHQWCAWTYIGB-UHFFFAOYSA-N 448.750 5.156 0 40 IKAB O=C(c1cc(-c2ccco2)nn1-c1ccccc1)N1CCC(c2nc3ccccc3[nH]2)CC1 12823462 FNKGCIAAAXNESQ-UHFFFAOYSA-N 437.503 5.028 0 40 IKAB COc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c(OC)c1 12897758 AIYXLTKFRRMIRA-UHFFFAOYSA-N 427.298 5.089 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(OC[C@@H]4CCCO4)cc3)ccc2OC)cc1 12909790 IOLBSXIYKNOCLE-QHCPKHFHSA-N 433.504 5.181 0 40 IKAB COc1cc(C)c(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)cc1OC 12977973 UTYUPGOPPXPBGB-XSFVSMFZSA-N 439.458 5.793 0 40 IKAB Cc1csc(N(C(=O)CSc2nnc(C)n2C2CCCCC2)c2ccccc2)n1 12993672 XMWFCTSKAWJFAH-UHFFFAOYSA-N 427.599 5.314 0 40 IKAB Cc1cccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)CCCC(=O)O)c(Cl)nc12 13028366 SETOESGDSSOKBN-HXUWFJFHSA-N 435.911 5.129 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13115595 GPOKWRRPCOKZDU-UHFFFAOYSA-N 438.531 5.356 0 40 IKAB CC(=O)c1cc(Br)ccc1OCC(=O)N[C@@H](C)c1ccc(CC(C)C)cc1 13130674 UKGXOESSTSTLCT-HNNXBMFYSA-N 432.358 5.106 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 13499973 DXDRSXLAKNJXBC-UHFFFAOYSA-N 425.583 5.118 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1ccc(OC)cc1 13568361 PUETYQWXWVERFI-UHFFFAOYSA-N 444.000 5.359 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc(Cl)ccc1OC 14084694 SVIIAYKDTOFINF-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB O=C(Nc1ccc(-n2nncc2-c2ccc(Cl)cc2)cc1)c1ccc(Br)o1 14181647 DVLHEGHOTNFXQV-UHFFFAOYSA-N 443.688 5.196 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(N2CCCCC2)cc1 14850571 XKDWYGDGZLJLHH-UHFFFAOYSA-N 425.529 5.412 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccccc2SCc2ccsc2)cc(OC)c1OC 15720138 QPYKKYYUNHINSN-CMDGGOBGSA-N 441.574 5.718 0 40 IKAB Cc1cc(C)cc(-n2c(SCc3ccccc3F)nc3c([nH]c4ccccc43)c2=O)c1 17011019 HZOSXFMTAJWUFP-UHFFFAOYSA-N 429.520 5.915 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)c1 17097565 DPBABWUCFYMJGG-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1C 17097577 WRCWSJRXOZJLOG-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 17100269 APWHDFMMIOPFGT-UHFFFAOYSA-N 436.511 6.789 0 40 IKAB CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 18059883 YZORGGDPVBBSOO-VXNXHJTFSA-N 446.934 5.262 0 40 IKAB Cc1ccc2cccc(NC(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2n1 19234323 YBIQCONSWSZKPH-FQEVSTJZSA-N 446.551 5.070 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 19636530 BWTWEDUOXQRIKI-LJQANCHMSA-N 442.559 7.149 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3n2)cc1 20610486 KYEPXOHVTJAXAS-UHFFFAOYSA-N 425.319 6.103 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 21982413 OKFRSHKZCKUGHG-UHFFFAOYSA-N 426.929 5.192 0 40 IKAB CC(C)c1ccc(-c2c3c(nc4sc(C(=O)Nc5ccccc5)c(N)c24)CCC3)cc1 22079368 QBOSWIJVDAQAKT-UHFFFAOYSA-N 427.573 6.410 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 22510125 ADWCWJXIYIAWKZ-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22528592 ICVDSLUDZYPJKL-SFHVURJKSA-N 432.800 5.854 0 40 IKAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)NC12CC3CC(CC(C3)C1)C2 25397904 ODIQJXAXQJSIBQ-UHFFFAOYSA-N 446.572 5.205 0 40 IKAB Cc1nc(C)c(-c2nnc(SCc3csc(-c4ccc(C(C)C)cc4)n3)o2)s1 25588150 HUSVOBMMGBUNIM-UHFFFAOYSA-N 428.608 6.349 0 40 IKAB Cc1c(C(=O)NC[C@H](c2cccs2)N2CCCC2)oc2ccc(Br)cc12 27992652 PDASQOLIHRNOIQ-MRXNPFEDSA-N 433.371 5.132 0 40 IKAB CCN(C(=O)COc1cc(C)cc(C)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993206 LNGKCQQOIBJQHP-NDEPHWFRSA-N 426.560 6.110 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1 30850005 OXJJTHNCGZSKSM-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB O=C(CCSCc1cn2ccccc2n1)N1CCCC[C@H]1c1nc2ccccc2s1 30945592 PJJYUQZKOVBWHV-IBGZPJMESA-N 436.606 5.321 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CSCC(=O)N(C)C2CCCCC2)cc1 31297390 XOLJDSKASROBRC-UHFFFAOYSA-N 426.582 5.250 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32904463 KVTCTFAFNLAPAR-UHFFFAOYSA-N 443.572 5.995 0 40 IKAB COc1ccccc1/C=C(/C(=O)Nc1cccc(NC(=O)c2ccco2)c1)c1ccccc1 32907952 PAPLKTNFSNQQGJ-HAVVHWLPSA-N 438.483 5.720 0 40 IKAB CCOc1ccccc1NC(=O)c1sc(=S)n2c1nc(O)c1cc(Cl)ccc12 33251357 ZZBZOCXMLHUEHQ-UHFFFAOYSA-N 431.926 5.288 0 40 IKAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@H](c2ccccc2)C1 33584401 ZBSNJFGNHJYQEJ-FQEVSTJZSA-N 433.515 5.250 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 33851402 XTIZPFDGNXOPFA-KRWDZBQOSA-N 439.339 5.042 0 40 IKAB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1 35646807 JCRGOQBXGUQQAO-WQRHYEAKSA-N 425.853 5.400 0 40 IKAB Cc1ccc(-c2nc(CSc3nccn4nc(-c5ccccc5C)cc34)c(C)o2)cc1 38651809 CWWZRMFOKFJBKS-UHFFFAOYSA-N 426.545 6.269 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cccc(C)c2C)cc1F 39868366 HSYFJMADORNVOT-UHFFFAOYSA-N 431.463 5.746 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3nccs3)n2-c2ccc(C)cc2)cc1 44086476 VHIWCTHOGNYZIF-UHFFFAOYSA-N 436.562 5.044 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(C)cc2)cc1 46078596 SCHAKGIICZWORQ-UHFFFAOYSA-N 442.515 5.017 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N(C)Cc2cnn(Cc3ccccc3)c2)c1 57352283 ZOKGNVRATLCYQN-HHHXNRCGSA-N 438.575 5.360 0 40 IKAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(SCc2csc(C)n2)cc1 58180971 DFLWPTSLZSWPKM-UHFFFAOYSA-N 433.505 5.233 0 40 IKAB O=C(C1CCN(c2ccc(Cl)cn2)CC1)N1CCC[C@H]1Cc1cccc2ccccc12 61529873 KORNTTYATKFLDI-QHCPKHFHSA-N 433.983 5.338 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3cc(C)[nH]c3c(=O)n2[C@H](C)CC)cc1 67239166 YQYQMTCMHXNORV-MRXNPFEDSA-N 426.586 5.077 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)cc1Cl 67293066 PVBHRJXYCNWKAL-IFMSOTMUSA-N 431.319 5.189 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)cc1Cl 67294540 RCSCKZSWTSKCKI-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB CCc1nc([C@@H](C)NC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)cs1 95460784 IYDKMQODXPBXBZ-NQIIRXRSSA-N 444.645 5.368 0 40 IKAB O=C(Nc1c(NC2CCCC2)c2ccccc2oc1=O)c1ccccc1Br 101095586 UILYEEXRRAWHDE-UHFFFAOYSA-N 427.298 5.162 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 104347993 CUHIOSOWUYTHKY-WQYMPPPESA-N 445.603 6.020 0 40 IKAB Nc1c(C(=O)Nc2ccc(C(F)(F)F)cn2)sc2nc(-c3ccc(Cl)cc3)ccc12 215710289 QNIWIKPEIJVWDH-UHFFFAOYSA-N 448.857 5.865 0 40 IKAB COc1ccc(OC[C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 216451209 QRFIQMLYEBWXCA-LJQANCHMSA-N 437.561 5.064 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)COc2ccc(Cl)cc2Br)c1 218856985 MIFSHLBILGLOOT-UHFFFAOYSA-N 440.765 5.018 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222891103 NJWUBKDOZJDNNO-PMACEKPBSA-N 429.998 5.862 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223096572 QRXXFTYVSAFOCO-NRFANRHFSA-N 426.626 5.119 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223177837 QOKMPOACJXAXOC-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccn3)o2)cc1 223551765 FEOCKSLRNKJUSD-DHIUTWEWSA-N 430.508 5.048 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223977940 BYZSVIJVABSIRM-INIZCTEOSA-N 433.379 5.012 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224314511 UZCWWIFNVXFQLU-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCN(Cc1ccc(C(=O)NC2CCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224461802 MRRWRXPXNWMMRP-UHFFFAOYSA-N 449.016 5.003 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1Cc1ccco1 224595793 GFSPSTCSSRWDOY-RPWUZVMVSA-N 444.560 5.024 0 40 IKAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224653618 WRRDMNJBVYQOAY-JWQCQUIFSA-N 440.572 5.872 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2cccc(C)c2C)S(C)(=O)=O)cc1 224744912 IQTAZCZFACKRHR-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COCc1ccccc1 224748409 BVPYSLZBJHBCOY-UHFFFAOYSA-N 429.438 6.073 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225044395 YYLFFQHHIVDVQG-JWQCQUIFSA-N 433.592 6.066 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(C)C 225214774 UENXSPHLKBRGIX-UHFFFAOYSA-N 427.591 6.079 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225302029 QUVPCCZCRLPKMS-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225423559 SOIWMVNYJLOWQC-OALUTQOASA-N 447.044 5.197 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 225612914 QOMNSRDHSQHLNP-CQSZACIVSA-N 441.786 5.131 0 40 IKAB COC(=O)c1ccc([C@@H]2Nc3c(F)cc(Br)cc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1 247851502 RUTRJJLYGLJIKF-YJKZWKBDSA-N 430.317 5.671 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)CCc3nc4cc(F)ccc4[nH]3)C2)n1 257305237 SPAGTIRFBUNFMB-HXUWFJFHSA-N 442.538 5.411 0 40 IKAB CC(C)n1cc(CN2CC[C@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc21 257339598 ZCKRLWNVEXXKTD-IBGZPJMESA-N 445.632 6.128 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1NC(=O)c1ccc(C)cc1 408556210 HCJXYWUZGMJDAB-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409011705 IDKKJHZEISVAAU-UZPSYVQNSA-N 436.360 6.407 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2cccc(C)c2)C1=O 409233309 FJZDEDCFDUCNJO-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(Cl)cc1)c1cn(CC(C)C)c3cccc(c13)N2 524731163 MFMWXCCZAQNBAA-JOCHJYFZSA-N 433.939 5.151 0 40 IKAB biogenic Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@H](C)c5ccc6nc(O)[nH]c6c5)(C4)C2)C3)cc1 618092313 XUNNUGWGYPWBCN-FRLZLCISSA-N 429.564 5.292 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 674474 PJFFOEULVILAMR-UHFFFAOYSA-N 448.158 6.441 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)o2)cc1 882240 OLAFADIHALBRGD-UHFFFAOYSA-N 427.529 5.601 0 40 IKAB CCc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 883998 QAHWGGZMPUUDOP-WOJBJXKFSA-N 444.457 5.367 0 40 IKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(C)cc2)cc1 906851 PFENWPBRKYYXGF-UHFFFAOYSA-N 429.545 5.150 0 40 IKAB Cc1ccc(C)c(Cn2c(C)nc3ccc(NC(=O)c4cccc(Cl)c4)cc3c2=O)c1 930713 GWPYOYGAPFGQRZ-UHFFFAOYSA-N 431.923 5.276 0 40 IKAB O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccccc1Cl 1268748 IBHDBKAEGXVNIY-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB Cc1ccc(NC(=O)OC/C=C/c2ccccc2)cc1NC(=O)OC/C=C/c1ccccc1 1741441 GXZKRNGRSMDMBL-VOMDNODZSA-N 442.515 6.519 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1)c1ccc(Cl)cc1Cl 1958188 ALCTYGHEUHXSDX-UHFFFAOYSA-N 435.669 6.846 0 40 IKAB CCOC(=O)c1nn(-c2ccc(Cl)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 2181179 TVVYZLHHIDKRBO-UHFFFAOYSA-N 430.891 5.600 0 40 IKAB CC(C)c1nc2sc3c(SCc4ccc(Cl)cc4)ncnc3c2c2c1CCC2 2250237 XDVTXBGIUOFUSQ-UHFFFAOYSA-N 426.010 6.797 0 40 IKAB c1ccc2c(c1)CCCN2c1nc(N2CCCCC2)nc(N2CCCc3ccccc32)n1 2332436 LXPWPDPWJZTCPF-UHFFFAOYSA-N 426.568 5.031 0 40 IKAB CCc1cc([C@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 2551880 JKUJEBHLJVDYIB-DEOSSOPVSA-N 436.596 6.523 0 40 IKAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)NCCC2=CCCCC2)nnc1-c1ccncc1 2623035 BNYRAZZBUVFYBU-IBGZPJMESA-N 447.608 5.125 0 40 IKAB CCCc1ccc(C(=O)[C@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 2659278 SHVBLVYYXZRWRS-KRWDZBQOSA-N 440.461 6.753 0 40 IKAB Cc1cccn2c(=O)c3cc(C(=O)N(Cc4ccccc4)Cc4ccccc4)sc3nc12 2722894 PZCQWQLFIJYWJE-UHFFFAOYSA-N 439.540 5.060 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1cccc2ccccc12 3210753 PDYUSSBTMSVENU-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB O=C(NC(=S)Nc1ccc(OCc2ccccc2)cc1)c1ccc(Cl)cc1Cl 3281423 QNLUFQJXKDQSRW-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)c3ccc(F)c(F)c3)n2CC(C)C)cc1 3296383 LKSYSKWPBDOVEK-UHFFFAOYSA-N 445.535 5.329 0 40 IKAB Clc1ccc(CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3339734 CKMRCJVJPWVNMB-NRFANRHFSA-N 435.936 5.726 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)Nc1cc(F)ccc1F 3491025 VZLMGFSUVWAXJC-UHFFFAOYSA-N 448.926 5.723 0 40 IKAB O=C(CS[C@@H]1c2ccccc2C(=O)N1Cc1cccs1)NCc1ccc(Cl)cc1 4108837 JSTIUUIHALKMQM-JOCHJYFZSA-N 442.993 5.106 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 4903238 MTHSKHJRVYHHIJ-NRFANRHFSA-N 425.532 5.198 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3c2C1 5508713 YGUDNDMRQRUJAA-SFHVURJKSA-N 425.594 6.392 0 40 IKAB O=C1[C@@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)C1c3ccccc3C2(Cl)c2ccccc21 8497897 XGKPLMKCZZGUPV-GMMLXXJASA-N 435.910 5.587 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)c1 8752417 BLLYRIWSWHXYKW-JOCHJYFZSA-N 439.559 5.724 0 40 IKAB O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)NCc1ccccc1Cl 8801966 FFOWFJKIYQNNFM-UHFFFAOYSA-N 441.969 5.005 0 40 IKAB aggregator CCCCOC(=O)c1ccc2nc(NC(=S)NC(=O)c3ccccc3Cl)sc2c1 8903298 UZKJUUDXTRYXQS-UHFFFAOYSA-N 447.969 5.033 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1OC 9010435 XDDMLOFEAHGDEO-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB COc1ccc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 9087754 KYVWHOUGNSMFTK-VCTRFXNDSA-N 444.575 5.155 0 40 IKAB COc1ccc2nc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)sc2c1 9241548 IIKBVKZEEGOBQA-UHFFFAOYSA-N 432.530 5.157 0 40 IKAB Fc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccc(F)cc4c32)cc1 9676177 RVURJMQOTOJNPJ-UHFFFAOYSA-N 436.259 6.281 0 40 IKAB Cc1ccccc1Cn1c(=O)n(-c2cc(Cl)ccc2C)c(=O)c2sc3ccccc3c21 9959737 SSVYBGIMYBXAJK-UHFFFAOYSA-N 446.959 5.686 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 10365934 QOIQABJUGHEZKT-UHFFFAOYSA-N 436.577 5.481 0 40 IKAB Cc1ccc(C(=O)/N=c2\scc(-c3ccccc3)n2-c2ccc(Br)cc2)cc1 11565622 YCDDVIMXPYBLBA-BZZOAKBMSA-N 449.373 6.018 0 40 IKAB COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 11905304 YLKPSNXYNWOSSH-DEOSSOPVSA-N 433.552 5.006 0 40 IKAB CCOc1ccc([C@H]2Oc3c(OCC)cccc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195740 UJYHWDBTVWNJPQ-SHQCIBLASA-N 444.531 5.735 0 40 IKAB Cc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccc(Cl)cc3)n2)cc1 12469010 FZOHTOLSKFAQKX-UHFFFAOYSA-N 448.975 6.384 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1 12856839 WGZJIXKFUKJZFZ-UHFFFAOYSA-N 447.554 5.187 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 13165374 RJQDORNHXROCNX-HXUWFJFHSA-N 434.521 5.039 0 40 IKAB COCCCNC(=O)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686799 NUHGJZARSDWEST-UHFFFAOYSA-N 433.533 5.288 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccccc2Cl)cc2ccccc2c1Br 14270011 UKVAFAMUTFINOA-UHFFFAOYSA-N 449.757 5.391 0 40 IKAB Cc1cc2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc2cc1Cl 16284224 HUXHJPKBJUPTBI-UHFFFAOYSA-N 447.741 6.533 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 16610829 OUAGCOJMGMIIIM-OALUTQOASA-N 442.559 7.438 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@H](c2nc3ccccc3s2)C1 16694938 RFZNBOLSKBZJLM-AWEZNQCLSA-N 444.482 5.071 0 40 IKAB CC(C)Cn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccsc2c1=O 16843533 LNNADKRVMODNEO-UHFFFAOYSA-N 432.958 5.110 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 17094601 LSTFKMIAPGWZBU-UHFFFAOYSA-N 425.695 6.337 0 40 IKAB O=C(Nc1nc2ccc(NC(=O)c3cc(Cl)ccc3Cl)cc2s1)c1ccco1 18019513 ZONPPPQHEWOYFQ-UHFFFAOYSA-N 432.288 5.701 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19324637 JHRPFNJUNHVWBL-UHFFFAOYSA-N 442.994 5.851 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3C(=O)O)o2)cc1Cl 19632712 SSMCBPTUJCJVHS-PKNBQFBNSA-N 440.908 5.133 0 40 IKAB C[C@H]1CC(=O)c2c(Nc3cccc(C(F)(F)F)c3)nn(-c3nc4ccccc4s3)c2C1 19817261 KENCCSWHEDEVDD-GFCCVEGCSA-N 442.466 6.009 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)cc1 20411346 GETXRTKIADTDJI-UHFFFAOYSA-N 449.963 6.398 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Br)cc2Cl)cc1 20481540 ACVAYOPTEBHZDO-SFHVURJKSA-N 440.765 5.394 0 40 IKAB Cc1ccc([C@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2)cc1 20481818 QKUABDZECDRJGQ-JOCHJYFZSA-N 444.756 5.696 0 40 IKAB O=c1c2oc3ccccc3c2ncn1Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 25612624 YPLLACFXDPCVJA-UHFFFAOYSA-N 427.407 5.333 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)c1 26124644 ONYLXKUHKHDFIP-UHFFFAOYSA-N 448.954 5.832 0 40 IKAB Cc1cnc2c(S(=O)(=O)N3CCc4sccc4[C@@H]3c3cccs3)cccc2c1 29349487 BDUPWXVLAMVRPO-OAQYLSRUSA-N 426.588 5.003 0 40 IKAB Cc1nc(NC(=O)c2ccc(Br)cc2)sc1-c1nc(-c2cccs2)no1 31817122 VXWMUNMKMGNJRJ-UHFFFAOYSA-N 447.339 5.245 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCCC)cc3)sc2c1 32119035 AMCULZXEZXYRPY-UHFFFAOYSA-N 427.595 5.555 0 40 IKAB Cc1ccc(N2C(=O)N=C(O)/C(=C/c3ccccc3OC(=O)c3cccc(C)c3)C2=O)cc1 34720618 HEWHYGUPXALSME-QNGOZBTKSA-N 440.455 5.029 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCCO3)cs1 41004285 AFFZQAHLBRYCLT-PXAZEXFGSA-N 439.364 5.501 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 44086432 YVONHMXBCCRUPM-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccc(C)c(C)c1 44856524 LXPSGIKLDWZLJR-HSZRJFAPSA-N 443.429 5.545 0 40 IKAB Cc1c(Cl)cccc1Nc1nc(-c2ccncc2)nc2c1CN(C(=O)C(C)(C)C)CC2 57775060 ZWRUECUNCLPVDB-UHFFFAOYSA-N 435.959 5.175 0 40 IKAB COc1ccccc1CN1COc2c(cc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)C1 58090604 RJHNZEUUEYUCJJ-UHFFFAOYSA-N 441.527 5.361 0 40 IKAB biogenic Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)cc1 59132925 LOEDIQPXWVOHHN-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB Cc1ccc(-n2ncc(C(=O)N3CCC(Nc4ccc(F)cc4)CC3)c2C(F)(F)F)cc1 69738606 FSLOIRWNNCAABB-UHFFFAOYSA-N 446.448 5.055 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(C(=O)C[C@H]3C=CCC3)CC2)c1 72345321 LRCLRXNETSGHEW-QHCPKHFHSA-N 444.619 5.258 0 40 IKAB COc1ccc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)CCCN(C)c2ccccc2)cc1 72356353 CKIRICCYRPCCPL-DEOSSOPVSA-N 432.568 5.056 0 40 IKAB CNc1ncccc1CN1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358229 IJHJGWNWYKTLTG-QFIPXVFZSA-N 426.486 5.465 0 40 IKAB COc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)cc1Cl 73639530 CTXFQLRCFZUVLP-UHFFFAOYSA-N 446.526 5.572 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(Cl)c1C(=O)NC[C@@H](c1cccnc1)C(C)C 79049118 XWHFOXVNZKSATL-GOSISDBHSA-N 431.367 5.111 0 40 IKAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@H]1c2ccccc2CC[C@H]1n1ccnc1 79110609 HWDARVXSCHCIEF-CTNGQTDRSA-N 449.461 5.083 0 40 IKAB C[C@]12Cc3cnc4c5c(F)cccc5nn4c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 96114781 DAWPFPOCBDCGER-NXDFDFEASA-N 447.598 5.730 0 40 IKAB biogenic O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)Nc1ccccc1C(F)(F)F 96119715 GANFZQCGAMCGSN-UHFFFAOYSA-N 428.370 5.583 0 40 IKAB CC(C)[C@H]1C[C@]2(c3ccc(Cl)cc3)O[C@@H]3[C@@H]1[C@](c1ccc(Cl)cc1)(OC3(C)C)O2 100147468 SUSZLTGGPRLULV-AJTZHXEGSA-N 433.375 6.516 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 101104914 IKRVZWCJADPXNU-LIOHBJMPSA-N 437.926 5.764 0 40 IKAB CCCCCC[C@]1(C)Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 106937324 ADHFDROAWBZRKA-GGAORHGYSA-N 427.386 6.679 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(CN(c2cc(C)ccc2C)S(C)(=O)=O)cc1 113965587 RWEUODIBZWRMFG-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930066 PGRKJDDEUNIWAZ-LSEJKCCISA-N 431.661 6.993 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C 223892463 WQBWKDLKFJONJH-RPWUZVMVSA-N 433.625 5.324 0 40 IKAB Cc1nc(NC(=S)NCc2ccc(-c3ccccc3)o2)c(Br)cc1Cl 223908807 CJNAACNQTSFHEH-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 224200332 SWZXUHJJTLHHEF-FTJBHMTQSA-N 444.648 6.491 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccc(C(C)(C)C)cc1 224522785 FQPGGZCWOKFVFT-UHFFFAOYSA-N 447.575 6.613 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224692066 PKZVTTLAGURIHS-DNQXCXABSA-N 427.529 5.952 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccs3)cc2)cc1 224692406 HHAKQQNEPMGONP-BJKOFHAPSA-N 443.597 6.421 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225012345 OWLBNRJBHXROAS-XZOQPEGZSA-N 435.618 6.049 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225307015 RWJAEQZPBPSSTO-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)c1 225650640 UNOIYDUDFHQIND-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl 225679549 YPVQJYDAHLKGQI-GOSISDBHSA-N 432.973 5.414 0 40 IKAB COc1ccccc1C1OCC(C)(C(=O)Nc2ccc(OC(C)C)c3ccccc23)CO1 225921296 UKVPHRXSSPXXNP-UHFFFAOYSA-N 435.520 5.326 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@@H](C)CCCC(C)C)C1 256379267 ACGNVBRAISEVDK-VGGRGQITSA-N 426.685 7.880 0 40 IKAB Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3cccc(OC[C@@H]4CCCO4)c3)n2)c1 257232876 GMUOGKSIRYFORM-XTEPFMGCSA-N 443.591 5.271 0 40 IKAB CCNc1nc(C)c(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 257255053 KFXDQBAPHSUQDC-INIZCTEOSA-N 439.560 5.099 0 40 IKAB Cc1ccc(Oc2c(F)cccc2C(=O)NS(=O)(=O)c2cccc(Cl)c2C)cc1 257266925 MFEJBJMETUSUCT-UHFFFAOYSA-N 433.888 5.007 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)c1 408573219 NAHUDPUNIVIVJT-DTQAZKPQSA-N 433.577 5.628 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc4c(c3)OCO4)sc3c2CCCC3)cc1 409117849 OVDTYSJTPXYPOA-UHFFFAOYSA-N 434.517 5.169 0 40 IKAB CCN(CC)C(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(C)cc3)C2=O)c2ccccc21 409133459 MOFSTYCIRFFPHL-HMAPJEAMSA-N 447.560 5.059 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409230306 YCKOGANUPOZRPV-YZSQISJMSA-N 448.522 5.820 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2c(F)cccc2F)Cc2ccccc21 643588147 BYNPGNAPABASOQ-UHFFFAOYSA-N 428.523 5.560 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2cccc(Cc3ccccc3F)n2)C1 1848355072 OXUJICXIRIOEFC-FQEVSTJZSA-N 427.523 5.242 0 40 IKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1CNc1ccc(Cl)c(Cl)c1 820906 UUCPGQGQBLTFRC-BWWMBTDCSA-N 449.337 5.255 0 40 IKAB CCc1ccccc1NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 825556 LAZURLZCAZRGBA-UHFFFAOYSA-N 444.844 5.883 0 40 IKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc3ccccc3c1)c1ccccc12 834428 KNZXEISZRJTYCR-UHFFFAOYSA-N 429.497 6.051 0 40 IKAB O=C(COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccccc2)cc1)Nc1ccccc1 1001470 XCLRPKSHDNLDJY-HHHXNRCGSA-N 449.510 5.475 0 40 IKAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(C(C)(C)C)cc3)n2n1 1396365 BGCPOAPSQGVYTI-UHFFFAOYSA-N 436.581 5.447 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)sc2c1 1738383 QDOSJMDYHXKNRE-UHFFFAOYSA-N 436.964 6.559 0 40 IKAB O=C1N2c3ccccc3S[C@H](c3ccccc3)C[C@@]2(c2ccccc2)C1(Cl)Cl 2057577 JDCYQYZPZYWWID-RBBKRZOGSA-N 426.368 6.340 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CCCCC3)cc1 2185821 CEEIGGLWNQWBBA-UHFFFAOYSA-N 438.980 6.483 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nnc(COc3ccc(Br)cc3)s2)cc1 2188945 ZNMOPHJRAFHQFL-UHFFFAOYSA-N 446.370 5.429 0 40 IKAB CCCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2247061 XVQVZRIOGTZJJH-UHFFFAOYSA-N 430.617 6.289 0 40 IKAB CCCCc1nc2sc3c(SCc4ccc(OC)cc4)ncnc3c2c2c1CCC2 2350080 DZLVMRVFSNLXDU-UHFFFAOYSA-N 435.618 6.372 0 40 IKAB Cc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2361977 YCQZQUBDSHOBPE-UHFFFAOYSA-N 429.564 5.652 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(Cc2ccccc2)c2nc3ccccc3nc12 2443142 BBPPXKGPQSATCG-SFHVURJKSA-N 429.568 5.160 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCCCC2)c1C 2546503 GFAKGLXDDINFCN-HSZRJFAPSA-N 439.024 6.846 0 40 IKAB COc1ccccc1[C@H]1C2=C(Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 2707465 IIABCXAQRXQWLR-FCHUYYIVSA-N 448.935 5.562 0 40 IKAB COc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 2714994 YVMMFGDIVSZYBC-UHFFFAOYSA-N 426.907 6.493 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2cccc(Cl)c2)c1 3041787 WKUQLBBGBFNAOV-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc([C@@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 3376044 CONGWHGUGRCFQN-QGZVFWFLSA-N 443.016 5.444 0 40 IKAB CC(C)=CCCC1=CC[C@@H](C2OCC3(CC=C(CCC=C(C)C)C[C@@H]3C)CO2)[C@@H](C)C1 4025315 MFGNVTISQZYJEE-GTPJEYBWSA-N 426.685 8.167 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)NC1CC1 5415345 NXZNHDFPLBNYDE-INIZCTEOSA-N 426.630 5.507 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2)CC1 7388249 XANTUSVLUGIAFX-VGOFMYFVSA-N 433.596 5.157 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)CC)CC4)cc1 8439109 HBTPLGQHXKIAEJ-QGZVFWFLSA-N 441.593 6.173 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1nnc(SCc2cccc3ccccc23)s1 8439992 HQKPGALBTQMNRU-UHFFFAOYSA-N 441.581 6.318 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1 8633833 CESKWBQGMIECMY-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB Cc1cc(I)ccc1NC(=O)COc1ccc(C2CCCCC2)cc1 8832257 GTMRUVQHHRHECG-UHFFFAOYSA-N 449.332 5.665 0 40 IKAB CCCN1C(=O)/C(=C\c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc21 8914383 YBDBQAIWRCBFNC-PGMHBOJBSA-N 441.918 5.336 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)c(C)nn23)cc1 8974458 SKVMIXHAFIKFAW-UHFFFAOYSA-N 447.970 6.358 0 40 IKAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1cccc(Cl)c1 9199922 NHHHLXOLUCFNBD-UHFFFAOYSA-N 435.936 5.634 0 40 IKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3ccc(Cl)cc3c2=O)cc1OC 9216156 BMAVKLSKIKGBGR-UHFFFAOYSA-N 441.911 5.649 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(CSc5nc6ccccc6o5)nc4c23)C1 9292037 BGJIQGXCPLSHCN-CYBMUJFWSA-N 449.605 5.924 0 40 IKAB COC(=O)c1sc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C 9348290 XUMLVOLEJLYVBJ-UHFFFAOYSA-N 435.741 5.665 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)cc1 9363709 QQMLRRCINZQACH-UHFFFAOYSA-N 426.994 7.228 0 40 IKAB CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccc(OC)c(OC)c1 9391172 RTAWMFHSLIYQTH-VWLOTQADSA-N 449.620 5.432 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)N3CCc4ccccc43)c3ccccc32)c1 9391755 WAKJJONFIMVYDS-UHFFFAOYSA-N 426.585 5.988 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 9730166 OABIKLJNOABHAU-UHFFFAOYSA-N 437.496 5.309 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)N3CCCC[C@@H]3c3nc4ccccc4s3)n2)cc1 9818968 MFNWXRCUIDTNJL-LJQANCHMSA-N 432.549 5.341 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(C3CC3)n2Cc2ccccc2)cc1 9832085 KZQOJLZYVCWXRF-UHFFFAOYSA-N 440.572 5.748 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1CC(C)C 9865227 FEBQBFHGGXKOBC-UHFFFAOYSA-N 448.951 5.133 0 40 IKAB C[C@H](Sc1nnnn1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1-c1ccccc1 9885080 VNZDTLCMQKREDB-HNNXBMFYSA-N 435.940 5.102 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)c2nnc(-c3cccs3)o2)n1-c1ccccc1 9982228 IOMQDBUSDGIECD-AWEZNQCLSA-N 435.534 5.801 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc(Br)c(C)c2)cc1 10916881 QWECOAVCSCOEAC-UHFFFAOYSA-N 431.359 5.016 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 12437164 GNFWESXQFQMADC-MPLVUTOVSA-N 440.370 5.668 0 40 IKAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2c1 12529882 FBSOIDABRWFNMY-INIZCTEOSA-N 433.533 5.873 0 40 IKAB COc1ccccc1-c1nc2ccccc2n1-c1cc(-c2ccccc2)nn1-c1ccccc1 12573133 SRGIQHDOTLMDEV-UHFFFAOYSA-N 442.522 6.554 0 40 IKAB Cc1ccccc1O[C@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628246 UVERTZRCHBNDBE-LJQANCHMSA-N 430.548 5.951 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Oc3ccccc3)c2)n2c(nc3ccccc32)N1 13635023 MIQHAXRLDLWIIT-VWLOTQADSA-N 439.515 6.069 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1 14831531 IKVKWHZEUAWJGD-UHFFFAOYSA-N 444.771 5.512 0 40 IKAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(c2nc3c(F)cccc3s2)CC1 15882422 VCZYZAKVCULEMW-UHFFFAOYSA-N 433.508 5.190 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947828 CCBMFYYGXZOHHN-OVWNDWIMSA-N 433.360 6.869 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)cc1 16753980 ZQBULXNUUXVOOD-UHFFFAOYSA-N 438.439 5.352 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Cl)c(Cl)c1 17094269 KTWZFOKYCANREL-UHFFFAOYSA-N 425.271 6.244 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(S[C@@H](C)c3nnc(-c4ccccc4)o3)[nH]c(=O)c12 17189516 PHBUZFXTAKBFTL-OCCSQVGLSA-N 440.594 5.785 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)NC1CCCCC1 17200823 UYMZTIGHNAWXNP-UHFFFAOYSA-N 449.555 5.096 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)cc1F)c1ccc(Cl)cc1 17251266 WQLLPIJXXYGFNT-UHFFFAOYSA-N 446.866 5.106 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3ccc(Cl)c(Cl)c3)C2)n1 19286829 PXORNXUSWIQMIH-QGZVFWFLSA-N 427.335 5.174 0 40 IKAB O=C(c1ccc2ccccc2c1)N1CCC(c2nnc(-c3nccc4ccccc34)o2)CC1 19399617 WBJDELHWVSAJNM-UHFFFAOYSA-N 434.499 5.458 0 40 IKAB COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4cccc5ccccc45)C[C@H]23)c1 19566345 NXUNARVIIFZCFL-JCYYIGJDSA-N 440.587 5.075 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)cc1 20411304 ZMQJZKOXZZAYIM-UHFFFAOYSA-N 442.559 6.933 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 20461103 FORTZTVUOARPNM-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20493527 CLTQCETXPRHVKT-SANMLTNESA-N 442.603 5.395 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 21576340 JWHJJMXMYKFLHN-UHFFFAOYSA-N 433.310 6.635 0 40 IKAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccccc1-c1ccc(Cn2cccn2)cc1 25245732 TWTBZTZVZLZUQU-UHFFFAOYSA-N 437.528 5.369 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(-c4ccc(Cl)cc4)o1)N(C)CC3)OCO2 26921250 AAIORRSUGSIROQ-QGZVFWFLSA-N 439.895 5.139 0 40 IKAB Cc1ccc([C@H](NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2)cc1 30873410 CTORWBGLZSSAKN-MYYVYBLQSA-N 437.970 7.095 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2cccc(O)c2)cc1OCc1ccccc1 34848841 CARLASLLGMBVGZ-UHFFFAOYSA-N 442.309 5.385 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 35550855 KJNSHWRAMQNRCS-XNRPHZJLSA-N 443.392 6.369 0 40 IKAB O=C1N=C(Nc2ccc(O)cc2)S/C1=C/c1ccc(OCc2ccccc2Cl)cc1 35645137 OMPHHAQUSAIDBK-FYJGNVAPSA-N 436.920 5.707 0 40 IKAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(Cl)c1Cl 38752081 WSDBXKYRYBZDOB-NRFANRHFSA-N 436.360 5.378 0 40 IKAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44903199 GIYYUACWPLWXIS-IBGZPJMESA-N 431.601 6.643 0 40 IKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 45942197 NQWFRJJSUNLDLN-RUZDIDTESA-N 429.585 6.585 0 40 IKAB COc1ccc(NC(=O)Nc2ccc(Nc3cc(C)nc(N4CCCC4)n3)cc2)c(C)c1 56907175 AJSQXEIJTXRYBI-UHFFFAOYSA-N 432.528 5.090 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(-c3ccccc3)c[nH]c2c1=O 57523124 TYKLSAUPOPNTHK-UHFFFAOYSA-N 446.576 5.068 0 40 IKAB CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@H]1CCCN(Cc2ccccc2)C1 58268053 TVXJLUHLHGEDOK-FQEVSTJZSA-N 433.518 5.021 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3C(=O)O)cc2s1)c1ccccc1 59417547 AOYAOPZCXAETGE-UHFFFAOYSA-N 448.525 5.222 0 40 IKAB Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1Cl 67261491 GCJNOEKCRXGSQZ-UHFFFAOYSA-N 438.293 6.003 0 40 IKAB Cc1cccc(CN2CCC[C@H]([C@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 72330550 HIXPCWQFYIIFFW-LSYYVWMOSA-N 427.592 5.092 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)CCCc4ccc(F)cc4)C3)nc2)n1 72353416 MKJGLOGOQMCQLT-OAQYLSRUSA-N 447.558 5.100 0 40 IKAB O=C(C[C@H](Cn1cccc1)c1ccc(Cl)cc1)NC1CCN(Cc2ccccc2)CC1 95480245 PMSKJKHKJAAQLS-HSZRJFAPSA-N 435.999 5.096 0 40 IKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(Cl)cc1)n2-c1ncccn1 96037395 FEZBLWANRJJLPJ-UHFFFAOYSA-N 443.938 5.540 0 40 IKAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 98072805 FCIXXCGJKNDYQJ-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc2n1C 106715730 SVVVRAYBPRKGIS-GRSHGNNSSA-N 431.344 6.030 0 40 IKAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ccc(Cl)c(Cl)c1 106955218 AHAYXEFVZJQPLL-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB 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)CCc2ccccc2)C1 118915132 OSYGNEOCCSKLON-XFVRFSQZSA-N 438.652 6.325 0 40 IKAB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](Cc3nc(-c4ccsc4)no3)C2)cc1 207016009 VPFJSVTVUQOFLN-SFHVURJKSA-N 441.622 5.322 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 222507340 ZAFJSUPLPRTEFN-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223108923 OZWCUZMAFSQNQU-RPWUZVMVSA-N 432.593 5.186 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(I)cc2)cc1C(C)C 223274250 FVKSOIDHIBHWSC-AWEZNQCLSA-N 437.321 5.223 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1cccc(C)c1 224110007 KLPCMAPILIGEPH-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224846473 PRIAKBXLDGZWNX-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224876284 RNKRSQOWWFYLSR-DHIUTWEWSA-N 446.963 5.408 0 40 IKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225553516 LCZOGIHNBHQADW-UHFFFAOYSA-N 429.004 5.901 0 40 IKAB O=C(Cc1cccc(Br)c1)NCCSCc1ccc(Cl)c(Cl)c1 225614179 ZJHDCUGQQCESBH-UHFFFAOYSA-N 433.198 5.348 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)c(Cl)c2)C(C)C)c(C)c1 225765033 OFPAEUCMLAMGCI-GOSISDBHSA-N 425.823 6.403 0 40 IKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc(N)c(Cl)cc1Cl 226303369 ZINYBLCPCDFHFT-UHFFFAOYSA-N 429.391 6.604 0 40 IKAB COc1cccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1OC 257247598 IZPTURZZOAXBCO-LJQANCHMSA-N 434.511 5.233 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccc(Cl)cc2)cc1Cl 408554945 GMALHYHELLUONA-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 408566593 HVIOIZDIQRWNCE-UHFFFAOYSA-N 440.337 6.673 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2ccc3ccccc3c2)c1 408598852 BXBWLOCWUNRTEJ-UHFFFAOYSA-N 426.541 6.131 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Sc1nc2ccccc2o1 408634563 RRLJZNMJRBVBEO-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Oc3ccccc3)cc2)nc1-c1ccccc1 408695281 PHKCRYCTXOOWEH-UHFFFAOYSA-N 446.510 6.287 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(C)c2C)nc1-c1ccc(F)cc1 408696564 ASEWTTMKAAQKAD-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)cc1C 408697818 JVOZBEUXHHPEQO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2C)cc1 408727777 XNXKXFKIPIBESC-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)S2)cc1 408785833 ZUBBDMMATJCPNM-GTWFGUSFSA-N 430.573 5.736 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 409013930 OOPHXTGYSBNZRU-ONDHQXCVSA-N 444.940 5.192 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCc1ccc(Br)cc1 409131441 JMJDUJCZBKEBCP-UHFFFAOYSA-N 442.353 6.048 0 40 IKAB Cc1cccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409183463 SLEDAAILHJDGAI-RUZDIDTESA-N 435.907 5.535 0 40 IKAB CCN1CCCCCCN(C(=O)C2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582031 INWYUGLVYFVPOS-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 824684 PIXNJRVXZQYFHN-DFBJGRDBSA-N 446.522 5.514 0 40 IKAB NC(=O)c1cc(-c2csc([C@H]3COc4ccccc4O3)n2)ccc1OCc1ccccc1 910046 YNHSRUGJLDWTIA-HSZRJFAPSA-N 444.512 5.001 0 40 IKAB CCOc1ccc(-c2nnn([C@@H](C)C(=O)N3c4ccccc4Sc4ccccc43)n2)cc1 932060 GVHGYVRAAJDPAU-INIZCTEOSA-N 443.532 5.129 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 1224575 IAPYZFXTJXTEEC-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccccc1 1320612 DSPFAHSGSOIPEU-QHCPKHFHSA-N 426.299 5.001 0 40 IKAB Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1cccc(Cl)c1 1378985 LAIAKLIMDXIAEY-UHFFFAOYSA-N 427.957 5.907 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3cccc(Cl)c3)s2)cc1 1900080 AQSCWYPHUOEZDZ-UHFFFAOYSA-N 437.999 5.223 0 40 IKAB COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 2247357 FDNCQVNUFFBWQC-ZEQRLZLVSA-N 442.906 5.153 0 40 IKAB Cc1cc(C)nc(SCC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)n1 2291009 AGDSMBGBRNPYCL-SANMLTNESA-N 431.605 5.707 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1cccc(C)c1)C1(CCCCC1)Cc1ccccc1-2 2295413 COWRHCITWFKULA-UHFFFAOYSA-N 444.644 6.858 0 40 IKAB CC(C)(C)c1cc(N2CCN(c3ccccc3)CC2)n2ncc(-c3ccc(Cl)cc3)c2n1 2338319 DLTSGCHYFWQNDU-UHFFFAOYSA-N 445.998 5.674 0 40 IKAB CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 2398175 PEULLWRXGXPUNX-UHFFFAOYSA-N 446.576 5.825 0 40 IKAB CC(C)c1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 2400696 MZGVQGDTZMCBSS-OAQYLSRUSA-N 435.527 5.918 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3nc(C)c(Br)cc3[nH]2)c(Cl)c1 2448580 AYFZXAFCPZOAQU-UHFFFAOYSA-N 439.766 5.030 0 40 IKAB O=C1CN(C(=O)c2ccc3ccccc3c2)[C@@H](c2ccccc2)c2cc(Cl)ccc2N1 2685924 CNNXPSBQLUHWEU-VWLOTQADSA-N 426.903 5.677 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)OCO3)sc2c1CC[C@H](C(C)(C)C)C2 2745172 LUORGKDMJGWJMI-AWEZNQCLSA-N 429.538 5.057 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 2753372 XGQRJHNDABGZGI-VQIMIIECSA-N 442.466 6.010 0 40 IKAB C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 2974925 GGYIHUAHJDCRLH-NQIIRXRSSA-N 445.010 7.368 0 40 IKAB CCOC(=O)c1sc(=S)sc1SCc1ncc(C(F)(F)F)cc1Cl 3118836 VLLQQVDTBOEAMY-UHFFFAOYSA-N 431.935 6.075 0 40 IKAB Cc1ccc(Cl)c(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c1 3180539 RSCOBFAOKOYBDO-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(NCc1ccccc1)C(=Cc1ccc(-c2ccccc2)cc1)C(=O)NCc1ccccc1 3275897 JOHOYKKOTKJHCS-UHFFFAOYSA-N 446.550 5.370 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)c1C 3313860 ZCKQXANTBYUAOT-UHFFFAOYSA-N 440.638 5.818 0 40 IKAB CCc1sc2nc(SC/C=C/c3ccccc3)n(-c3cccc(OC)c3)c(=O)c2c1C 3438464 MJBQAEMNHNHLED-FMIVXFBMSA-N 448.613 6.132 0 40 IKAB CC(C)(C)P(=NC(=S)N1CCCCCC1)(N1CCCCCC1)N1CCCCCC1 5496382 QUPRPVWTUSSKEV-UHFFFAOYSA-N 440.682 6.729 0 40 IKAB CC(C)C(=O)C[C@@H](c1ccc(Cl)cc1)N1N=C(C(C)C)C[C@@H]1c1ccc(Cl)cc1 5841200 NBOLRIBMMHCLND-PKTZIBPZSA-N 431.407 7.109 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(-c3ccccc3NC(=O)c3ccc(F)cc3F)o2)cc1 8590785 CLWHBLVODGMCAV-UHFFFAOYSA-N 433.458 6.232 0 40 IKAB COc1ccc(CN(CC[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)C(C)=O)cc1 8738754 WWCBCYJNXBONTI-KAYWLYCHSA-N 439.596 5.215 0 40 IKAB biogenic Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)C[C@@H](C)CC3 8870362 WBGCWUBQHMBAAR-LBPRGKRZSA-N 434.355 5.429 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3cccc4ccccc34)cs2)c(C)c1 9257873 AGGVBYZEZNSWOX-UHFFFAOYSA-N 429.589 5.959 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc(Cl)c1)c1ccccc1Cl 9328047 TXBMVNPMGHHPDY-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB O=C(c1ccc(C(F)(F)F)cc1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 9402993 YLZBNALAVDOSMT-UHFFFAOYSA-N 438.493 6.017 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2ccccc12 9684761 GCHIUICZCVQMML-UHFFFAOYSA-N 430.426 5.409 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C[C@H](C)CC(=O)NCc3ccc(C)o3)ccc21 9805899 LKOSAURJHJLPRS-QGZVFWFLSA-N 431.536 5.387 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)sc2C)cc1 9952824 HDOGBHZQMABBEG-UHFFFAOYSA-N 447.564 5.582 0 40 IKAB Cc1csc(SCc2c(C(=O)N[C@H]3CCOc4ccccc43)oc3ccccc23)n1 12798317 PIPYFLMAAKLLLP-SFHVURJKSA-N 436.558 5.744 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccccc1Cl 13926233 BGWBRPIFIZGXQR-JAIQZWGSSA-N 437.854 5.411 0 40 IKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 13946118 CMWCQIBIGGVVKI-UHFFFAOYSA-N 426.907 6.096 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14196869 DPWBVVPZOSOXPT-UHFFFAOYSA-N 442.968 6.212 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4C)c3)oc2c1 14272209 NJYIQMAYSLRZRS-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 14427230 DOZXETAANGLMNU-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1ccccc1Cl 15512781 QWEKLGVHSYEAJD-UHFFFAOYSA-N 444.947 5.795 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 15910548 BTHGGKYAWTZMCO-CALCHBBNSA-N 430.593 5.471 0 40 IKAB Clc1ccc2c(c1)nc(SC(c1ccccc1)c1ccccc1)n2Cc1ccccc1 15914015 ZAEWCVZUWPTISK-UHFFFAOYSA-N 440.999 7.620 0 40 IKAB CCCSc1ncc(Cl)c(C(=O)Nc2sc3c(c2C(=O)OCC)CCCC3)n1 16742466 SOPHUWHYIXSERO-UHFFFAOYSA-N 439.990 5.001 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 16776839 IMSZJOHLGYYQIU-IBGZPJMESA-N 445.950 5.462 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)CCC(=O)O 17096766 BZGDHLPLKDXLJP-UHFFFAOYSA-N 430.309 5.090 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 17097044 BQHSIHJAXZPMOP-UHFFFAOYSA-N 430.533 5.448 0 40 IKAB COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 20220609 NPOSEQSFOMKTER-UMGGQSCQSA-N 449.528 5.040 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccccc1Sc1ccccc1 22245478 HMDYEMYBBLXJHZ-UHFFFAOYSA-N 431.586 6.623 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1cccc(F)c1)c1ccc(F)cc1Br 24989883 GVSXVFXMYBYJHR-UHFFFAOYSA-N 431.236 5.232 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccccc1OCc1ccc(F)cc1 25390042 OVCHNOXWXLSTEH-UHFFFAOYSA-N 447.247 5.262 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2cccc(OCc3ccc(F)cc3)c2)c1 30391460 IPNFHQJRVGBWFE-UHFFFAOYSA-N 448.523 5.273 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@H]2COc3ccccc3O2)cc1 32923091 MUQQEOMHYMISAS-HSZRJFAPSA-N 430.504 5.015 0 40 IKAB O=S(=O)(Cc1nc(-c2ccc(OCc3ccccc3)cc2)no1)c1ccc(Cl)s1 33114635 GSKCDHDFPNKTTA-UHFFFAOYSA-N 446.937 5.004 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Br 33540312 PHMZQACZBXTBLC-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB CCCCOc1ccc(/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2O)cc1OC 33740595 STJUXPQFHSISQC-GZTJUZNOSA-N 442.899 5.343 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 33797302 CFGIVLPJFFOYRM-UHFFFAOYSA-N 431.989 5.102 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1 58960169 RZWKLUKGQVYRIO-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB 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](OC)CC(=O)O3)[C@H]21 65748722 OLSYISKGDWQZSZ-RVTXAWHXSA-N 432.601 5.240 0 40 IKAB in-vitro CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@H]1C[C@@H]1c1cnn(C)c1 72285474 UCUDLEVPXNFKND-RPBOFIJWSA-N 431.580 5.077 0 40 IKAB COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1OC 100930745 OJWHSJIOGRNFJA-DNVJHFABSA-N 427.327 5.927 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C[C@@H](c2ccc(Cl)cc2)C1 102673511 YCTKTUKPUOEWDH-MZNJEOGPSA-N 426.907 6.150 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 102717375 LIEWMCGEEMYSGL-DNVJHFABSA-N 432.907 5.008 0 40 IKAB CCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N/c2ccccc2)n1-c1ccccc1 103405259 XYLXAAJISMTMSO-CYYJNZCTSA-N 427.573 5.920 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(C)c(C)c2)cc1Br 106964556 HVEOSTKUUPNJRF-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CCCC(C)C 118935142 KDJPNDQOTCHXMI-XREPWGFNSA-N 446.716 7.010 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccccc1F 214332926 KOUMFQSQAUXOJL-VXLYETTFSA-N 448.302 6.629 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222604044 CXWVNKAAZMEWHP-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223117330 IIVZPRWWATYBIR-NRFANRHFSA-N 436.640 5.291 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccccc1 223370623 KQKADZZBKIELCK-QZTJIDSGSA-N 430.396 5.078 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)cc1C(C)C 223382976 QCWKNOLKWPXODB-SFHVURJKSA-N 433.614 5.607 0 40 IKAB Cc1cc(C)cc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 224054329 NSOJDLGZZLOBMU-UHFFFAOYSA-N 425.981 6.058 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 224199539 CYDRXLWDKNTQJO-XMMPIXPASA-N 438.637 5.262 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cccc3C)c(Cl)c2)cc1 224238976 HJODUJBZYQFUAM-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc2ccccc12 224304006 XAOSLPQSBWUNCP-UHFFFAOYSA-N 447.918 6.342 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cccc(C)c1 224384490 IYWRABXAYCIMCB-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(C)cc1 224575298 DZWCUURLTPCAGX-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc2ccccc2c1 224648129 UONUDWCFPLHZLX-UHFFFAOYSA-N 429.491 5.887 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c1 224941144 RZTPXZRSRJPMJL-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB Cc1ccc(CNC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 224949242 NNHXUKAHPMHHIJ-UHFFFAOYSA-N 447.332 6.010 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n(-c2ccccc2)c1C 225031236 FSWOYDROUNNLSX-DQEYMECFSA-N 430.621 5.713 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225333045 WHUCQEVYJULSOT-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C1CC1 225338455 CRKNMJSQCDSGKQ-JWQCQUIFSA-N 446.620 5.799 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225490227 CUFBCLWSPFIGHW-OFNKIYASSA-N 438.612 5.085 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 225611549 ZFPDJLBTGUUMMU-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB Cc1cccc(CN2[C@H](c3cccc(C(F)(F)F)c3)C[C@]3(C)NC(=O)CCCC[C@H]23)n1 257229020 FWGVSTXRPGCINX-FUDKSRODSA-N 431.502 5.173 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 408553205 MSCQPHLYPBCZTI-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB CC1CCN(C(=S)c2cc(Cl)ccc2OCc2c(Cl)cccc2Cl)CC1 408577883 VJHDFXLINPVUNJ-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB Cc1c(/C=C(\Sc2nc3ccccc3o2)C(=O)O)c2ccccc2n1Cc1ccccc1 408633811 MBLIKBJJFLHIEY-IWIPYMOSSA-N 440.524 6.357 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)cc3C)n2)cc1 408694071 HWIKFPVUNOQPHJ-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2ccc(Cl)cc2)cc1Cl 408699911 WZUYIDZNTXIWIV-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4F)cc3)S2)cc1 408790565 SKQOFVCPRARKEW-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB Cc1c(/C=C2\SC(=O)N(C)C2=O)c2ccccc2n1Cc1ccc(Cl)cc1Cl 408818707 OMQXIAOXFGYWEI-GRSHGNNSSA-N 431.344 5.971 0 40 IKAB CC(C)(C)c1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc(C(C)(C)C)c1O 409051185 BOEBMFHFNRMZHB-UYRXBGFRSA-N 443.996 6.882 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409167402 JNFNPJYFCOFDFA-ZYLGRSFDSA-N 446.953 7.028 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)C1)C1(Cc2ccc(F)cc2)CCOCC1 585262012 WYKUKUKNEJVMMG-QHCPKHFHSA-N 446.566 5.195 0 40 IKAB COc1ccccc1[C@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 606337358 FHCLXACSZSAKRV-INIZCTEOSA-N 435.524 5.173 0 40 IKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C)C(C)C 1547208765 BYLDLYWTMFKRNR-LERHYFEASA-N 430.717 6.997 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)c1cccs1)c1ccc(Cl)cc1 863664 CPEGDUCJMWXTTG-UHFFFAOYSA-N 442.371 6.396 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)cc4)cs3)c2c1C 886425 OUIJJFZMHVEGCU-UHFFFAOYSA-N 430.555 5.302 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@@H]2CCCO2)cc1 928192 BJLGBVPJXQOWKG-QHCPKHFHSA-N 449.620 5.085 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1352846 YMDMIBBSDIDXGH-UHFFFAOYSA-N 445.950 5.767 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)cc12 1371676 SAJAIBRKRHFPEZ-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3ccccc3F)cc12 2107278 BOXSDBZENHUGIG-UHFFFAOYSA-N 449.316 6.388 0 40 IKAB Cc1cccc(OP(=O)(Oc2cccc(C)c2)O[C@@H](c2ccccc2)C(F)(F)F)c1 2270648 BUHMPMCPHRPNBN-NRFANRHFSA-N 436.366 7.190 0 40 IKAB CCOc1ccc([C@@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 2551825 AJIBXAQCZZSLDK-VWLOTQADSA-N 448.632 6.537 0 40 IKAB COc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4cccc(OC)c4)cc2-3)cc1 2687766 VJYXUDHLUBSYAX-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB CCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc12 2763967 UFIMEIXDHFYILI-UHFFFAOYSA-N 425.370 6.102 0 40 IKAB O=C(NCCNc1cccc2ccccc12)c1cn(-c2ccccc2)nc1-c1cccs1 3170696 SPTWTBFTWIVWQF-UHFFFAOYSA-N 438.556 5.596 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCCCc1ccccc1 3245755 OOPDYTALVSULKZ-UHFFFAOYSA-N 440.572 5.047 0 40 IKAB Cc1cccc(C)c1NC(=O)C[C@@H]1SC(N(c2ccccc2)c2ccccc2)=NC1=O 3324947 VIKBGRPSSNNHEF-NRFANRHFSA-N 429.545 5.468 0 40 IKAB CC(C)c1ccccc1N(C(=O)c1cnc(Cl)c(Cl)c1)c1nc2ccccc2s1 3360064 FLEGTROACCTJFQ-UHFFFAOYSA-N 442.371 7.100 0 40 IKAB O=C(CCC(=O)NC1CCCCCCCCCCC1)NC1CCCCCCCCCCC1 4672854 ZLSNRSRZBRHQCI-UHFFFAOYSA-N 448.736 7.346 0 40 IKAB COc1ccc(N[C@H]2Oc3cc4c(cc3[C@H](c3cccc(OC)c3OC)[C@@H]2C)OCO4)cc1 5741760 TVACMCACOWTLJP-CDAVKZRYSA-N 449.503 5.040 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)cs2)cc1 8750833 ZFXRLZROCCJQDM-RUZDIDTESA-N 427.529 5.239 0 40 IKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1OCC 8919960 BAMKEYFCDFMTHU-OPAMFIHVSA-N 442.625 6.516 0 40 IKAB Cc1ccccc1-c1nnc(S[C@@H]2CCCCN(C(=O)c3ccc(Cl)cc3)C2=O)o1 8965860 WBTVJWDNTWZFLQ-GOSISDBHSA-N 441.940 5.012 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc4ccccc34)[C@H]2C(=O)N1c1ccc(F)cc1 9075423 XDVFYFCTFGIXLK-UBFVSLLYSA-N 438.458 5.030 0 40 IKAB C[C@@H]1CSC(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 9125578 INAASPQVKXJWMI-QRWLVFNGSA-N 430.957 5.036 0 40 IKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2cccnc2)cc1 9190786 CHXUUZWXXVSHNQ-IEWVHIKDSA-N 449.535 6.211 0 40 IKAB c1ccc([C@@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 9216352 IKTKMTLJQYODMU-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB CC1=C(CC(=O)Nc2ccc(C)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 9341778 VVIANGXMUNAWNB-KBKPQOPKSA-N 445.559 6.228 0 40 IKAB CCc1ccc(OCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 9345976 JKXPEMBSIVXDFC-UHFFFAOYSA-N 428.532 5.494 0 40 IKAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=S)Nc2cccc(Cl)c2C)c1 9391162 LEPRAIBXVWCQRH-QFIPXVFZSA-N 441.984 5.269 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)c1 9415921 PWTZZNWPJANHPT-OAQYLSRUSA-N 432.549 5.165 0 40 IKAB COc1cccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)c1 9450768 GJGMLRGYQXBEQP-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCc1ccc(F)cc1 9464488 RBJUCJYMTCYKED-UHFFFAOYSA-N 438.572 5.266 0 40 IKAB O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1C(F)(F)F 9632988 GIOGQXMMPUROJM-UHFFFAOYSA-N 425.834 5.353 0 40 IKAB CCC(=O)c1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(Cl)c3)cs2)cc1 9952545 NRMIFOKESGNOES-UHFFFAOYSA-N 430.913 5.082 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(NC(=O)c4ccco4)cc3)cs2)cc1 11216060 YRJVYWGTQVXGDE-UHFFFAOYSA-N 447.516 5.057 0 40 IKAB CC(C)Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN12 12192451 NIFJYAHTPLYRHT-UHSQPCAPSA-N 434.539 6.869 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCc1ccc(F)cc1 12419509 VTDKCSQKVNBQJZ-UHFFFAOYSA-N 432.860 5.172 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3sc(NC(=O)C(C)(C)C)cc3C)sc2C)cc1 12738984 QNRJJBPHDUUNLF-UHFFFAOYSA-N 443.594 5.734 0 40 IKAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)c(C)c1 12877504 URBQVAVUZCHLQI-UHFFFAOYSA-N 426.586 5.085 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@@H](c2nc3ccccc3s2)C1 12977452 ZZEPXDQQGKUUDT-GFCCVEGCSA-N 435.774 5.732 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)C(=S)Nc1ccc(F)cc1 13026644 XYSQTMLDOUHBBE-UHFFFAOYSA-N 434.515 5.646 0 40 IKAB Cc1nc(S[C@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C2CCCC2)c1C 13109898 DWQSFHCUSZOUIO-CQSZACIVSA-N 427.492 5.633 0 40 IKAB O=C(c1ccco1)c1cc(-c2nc3ccccc3[nH]2)c(-c2ccco2)n2c1nc1ccccc12 13149228 NHJRPCHNFGKTAO-UHFFFAOYSA-N 444.450 6.115 0 40 IKAB CCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 13592210 RZXMOFJPBQYWQC-IBVKSMDESA-N 442.559 6.009 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 13634974 MZEGIOFRXYPYDU-HXUWFJFHSA-N 440.341 5.431 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(OCc2ccccc2Cl)cc1 13687873 LPEPGFAVGBODQA-UHFFFAOYSA-N 441.141 7.132 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13708690 TYOMPMHBWXLCAU-QGZVFWFLSA-N 429.903 6.130 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 13777254 LDNOEDBPXLUFCK-DSITVLBTSA-N 440.543 5.344 0 40 IKAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncc(C(F)(F)F)cc3Cl)ccc21 14076296 MCOOUBZEWBJNEN-JTQLQIEISA-N 428.863 5.026 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=S)Nc2ccc(Oc3ccccc3)cc2)c(C)c1 15513640 LEDGAOSKYPDIMR-UHFFFAOYSA-N 433.577 5.671 0 40 IKAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Oc3ccccc3)n2)cc1OC 15585029 JMZWLZWVTCOFND-UHFFFAOYSA-N 445.475 5.117 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)C(c1ccccc1)c1ccccc1 16047631 VPWZGLCNTBVJBV-UHFFFAOYSA-N 434.293 5.270 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2cccc(C(F)(F)F)c2)cc1 16311570 VFNQARIQHGFKBU-UHFFFAOYSA-N 438.457 5.411 0 40 IKAB O=C1S/C(=C\c2cccn2-c2ccc(O)cc2)C(=O)N1Cc1c(F)cccc1Cl 16383687 DKEAWPSUKJXPCL-ODLFYWEKSA-N 428.872 5.212 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3)nc2c1 16610857 CJGHOSWXIGOZHK-CYBMUJFWSA-N 439.309 6.616 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 17098640 NNHBGOOGPGUNMS-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 17101673 PAAFERZGYSFXSU-UHFFFAOYSA-N 437.668 5.248 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc12 17197731 ZHYCDPOQKOCTHY-URTIFYFGSA-N 434.583 7.694 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19081261 YIEFDCCMSNHBAZ-GOSISDBHSA-N 433.531 5.173 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cc(C5CC5)on4)C3)noc2n1 19452054 AJCIHIBBIASZJO-ZDUSSCGKSA-N 448.445 5.250 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 19825462 YPQCTLMHGWXHMO-UHFFFAOYSA-N 449.967 5.081 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 20139542 VNFLUQXYEMJLAC-UHFFFAOYSA-N 430.696 5.821 0 40 IKAB CCOc1ccccc1C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20190020 OVMHWUDDROHFBR-UHFFFAOYSA-N 431.517 5.680 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20395738 UBDSJPXIMOJFDL-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB Oc1c([C@H](c2ccccc2F)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852167 DQCOAWOHLYHKID-FQEVSTJZSA-N 446.507 5.043 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC 23386413 PJGXDCQPHXIWCB-LJQANCHMSA-N 440.927 5.309 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(Cl)cccc1Cl 30854936 YBTOYLZEWMVVLY-OAQYLSRUSA-N 448.415 6.354 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c(C)c1 30867226 OGPNPOKLKSLIFX-UHFFFAOYSA-N 434.989 5.162 0 40 IKAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CC=C(c2c[nH]c3ncccc23)CC1 32936080 FXNMGOYVGVDPBW-UHFFFAOYSA-N 437.547 5.082 0 40 IKAB Oc1nc(/C(Cl)=C\c2ccc3c(c2)OCCO3)nc2scc(-c3cccs3)c12 33480275 QZXGPJORQXRDFK-MDWZMJQESA-N 428.922 5.634 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)cccc1F 35196432 SSILIVIEHFXVKW-APTYZTEPSA-N 439.461 5.388 0 40 IKAB Cc1ccc(C2=N/C(=C\c3cn(-c4ccccc4)nc3-c3ccc(Cl)cc3)C(=O)O2)cc1 40147468 FKJSWGIRVVYMTP-HAHDFKILSA-N 439.902 5.846 0 40 IKAB CCOC(=O)c1ccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc23)cc1 49005002 SSSRTWZIJCRXJF-FQEVSTJZSA-N 446.551 5.263 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 57315804 MODHQRUYVXVZGX-SAPNQHFASA-N 448.522 7.530 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 57350728 XHFRGGGUSSFUGD-AREMUKBSSA-N 447.623 5.098 0 40 IKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)c1ccc2c(c1)NC(=O)CCS2)C1CC1 65564801 BNEWFICJRQTWNC-ZDUSSCGKSA-N 434.483 5.506 0 40 IKAB Cc1cc(O)c(C2=Nc3ccccc3N[C@H](c3ccc(Br)cc3)C2)c(=O)o1 71782818 XGSKMSOACGIELE-KRWDZBQOSA-N 425.282 5.094 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccc(Cl)cc3)cc2)cc1C 89643248 NJXWKFHPIKUQMI-UHFFFAOYSA-N 429.925 5.001 0 40 IKAB Cc1ccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1Cl 101095616 MIIAXLJJTUUZLI-UHFFFAOYSA-N 425.916 6.143 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(C)cc2C)n1CC 108026488 GCYIIRQBZIMGMV-UHFFFAOYSA-N 438.597 5.095 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 113958593 DYELLOMSEMXGFD-UHFFFAOYSA-N 428.576 5.792 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222896698 CGPWZUWXKCGGMK-UXHICEINSA-N 441.940 5.076 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C(C)(C)C)cc3)cc2)cc1 223458961 GTSFTVOCNYSNAQ-UHFFFAOYSA-N 433.617 6.394 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223474426 LXDUHYCTECJHLA-DHIUTWEWSA-N 430.508 5.048 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)cc1 223789641 YFWRRIJJASKVGP-ZEQRLZLVSA-N 432.593 5.411 0 40 IKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2CCCc3ccccc32)nc1 223911714 KHOMKAUEVLCAHM-UHFFFAOYSA-N 440.572 5.913 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224207662 MGPULIQUGOSQRM-UHFFFAOYSA-N 439.895 5.275 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(C(C)(C)C)cc1 224519850 RZLDRKZRMXJUFI-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224689226 IQDMCVFPFWVEKT-HSZRJFAPSA-N 429.004 5.161 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 224943436 ALMBPBCFAASKTO-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225523431 RDPMERGFBRWSEB-UHFFFAOYSA-N 429.004 5.901 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(-c2ccc(OC)cc2)s1 225684347 VGBXTOPDKXJREG-LJQANCHMSA-N 425.554 5.307 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H]2c1ccc(Cl)cc1 245241918 UCLWIBNAFORYLW-LVZWAMJUSA-N 440.971 5.670 0 40 IKAB COc1ccccc1-c1cc(-c2cc(C)ccc2OCC(=O)O)nn1CCc1ccccc1 257277552 NYJDVYOTHIBDBA-UHFFFAOYSA-N 442.515 5.240 0 40 IKAB COc1cccc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c1 257340300 ZFKGLDNOSBVOEG-JOCHJYFZSA-N 440.509 6.079 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408547291 IEOKBMJPJNJODJ-JOCHJYFZSA-N 426.925 5.268 0 40 IKAB S=C(c1ccccc1OCc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 408578544 YNVNTGRBRSQWLK-UHFFFAOYSA-N 436.020 6.549 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1C(=O)NCC(C)C 408583540 IEZVDYWGABAAMB-UHFFFAOYSA-N 449.787 5.142 0 40 IKAB CCOc1cc(C(=O)Nc2c(C)cccc2Cl)cc(Cl)c1OCc1ccccc1 408626172 ZWOFQQVUINXNAS-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408972932 HXWQMBHXDYQFRJ-XMMPIXPASA-N 436.964 5.409 0 40 IKAB CCCN1C(=O)/C(=C/c2ccc(OCc3cccc4ccccc34)c(OCC)c2)NC1=S 409081968 RFGMLERHQXDCSU-JCMHNJIXSA-N 446.572 5.285 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C(=O)N1C1CCCCC1 409085765 ZDWKOIHBNUDPAH-MOSHPQCFSA-N 445.346 5.798 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2cccc(C)c2)cc1 409094292 DKXLIPCALAFHTI-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCc1ccc(NCc2cc(Br)c(OCc3cccc(F)c3)c(OC)c2)cc1 409114153 CSFGUQATCVFHLM-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1 409118649 PIXKEHZIFCHLBF-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1cc(I)ccc1NC(=O)CSc1cccc2ccccc12 409171895 CYMVVKGTWSKBQK-UHFFFAOYSA-N 433.314 5.484 0 40 IKAB CCCCOC(=O)c1cc(NC(=O)CSc2ccc3ccccc3c2)ccc1Cl 409179133 PHBYZJKYXFPWCN-UHFFFAOYSA-N 427.953 6.181 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)o2)cc1 409217488 WDCLZGGSECAWQF-XDHOZWIPSA-N 439.876 5.628 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC 409229251 MCQVOIQHYZGQOK-IYSPOMMRSA-N 428.916 5.009 0 40 IKAB O=C1CS[C@@H](c2ccccc2)N1c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 713644 KPUHMRRRHRPGQM-ZEQRLZLVSA-N 432.570 5.244 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 884918 KCHWNCBHDJIBPQ-UHFFFAOYSA-N 443.494 5.554 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3cccs3)nc3c(C)cc(Br)cc23)c1 993387 YKISWXBVSZAAGA-UHFFFAOYSA-N 437.362 6.595 0 40 IKAB CCOc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)cc(OCC)c1OCC 993664 TUPTZRNORXORIO-UHFFFAOYSA-N 446.956 5.912 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)c1 1326201 QLJBYBLBSMXJKS-GFCCVEGCSA-N 428.579 5.117 0 40 IKAB Cc1ccc([C@@H](CCNCc2ccc(OC(C)C)cc2)c2ccc(OC(C)C)cc2)cc1 1830589 FRPNQBNPDZCRET-GDLZYMKVSA-N 431.620 6.881 0 40 IKAB biogenic FC(F)(F)C1(C(F)(F)F)OC(c2cccc(Cl)c2)=Nc2ccc3ccccc3c21 1902912 VBDSZFZQMLNWPM-UHFFFAOYSA-N 429.747 6.922 0 40 IKAB COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@H]2CCCCN(c3ccccc3)C2=O)cc1 2097574 LCPKZYWDWZRWST-FTJBHMTQSA-N 427.544 5.885 0 40 IKAB biogenic CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(F)cc3)CC4=O)nc(C)c2c1 2238379 OEBCDHGAGUYDIO-KRWDZBQOSA-N 427.483 5.086 0 40 IKAB CCCc1nc2sc3c(SCc4ccccc4Cl)ncnc3c2c2c1CCCC2 2250186 POLQQLPCAGUMAB-UHFFFAOYSA-N 440.037 7.017 0 40 IKAB COc1ccccc1C(=O)Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3 2322273 HBYXPUDKWXZTOB-UHFFFAOYSA-N 447.585 5.982 0 40 IKAB O=C(CCCSc1nnc(NCc2ccccc2)s1)c1ccc(Br)cc1 2630402 LCSUAZWDFDXLLA-UHFFFAOYSA-N 448.411 5.668 0 40 IKAB COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)C[C@H](C)CC6)o2)cc1 2790355 QSINOUHYVDUAFC-CQSZACIVSA-N 446.532 5.311 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134502 JCEFWCWXBWAXRZ-UHFFFAOYSA-N 442.771 5.099 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(Br)s2)cs1 3167033 PUQRWPHILDXODB-UHFFFAOYSA-N 449.182 6.585 0 40 IKAB O=C(Oc1c(/C=C2/N=C3CCCCCN3C2=O)ccc2ccccc12)c1ccccc1Cl 3172600 AAAUZFJKYALZHZ-CJLVFECKSA-N 444.918 5.868 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cccc(C(F)(F)F)c1 3219331 SFDJDZIXAPQBFH-UHFFFAOYSA-N 440.377 5.309 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 3352838 HXIGSJPSKFPKGJ-UHFFFAOYSA-N 427.432 5.104 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1 4090510 AMXVHIHBOMEEEJ-UHFFFAOYSA-N 431.561 5.363 0 40 IKAB CCn1c(CNc2cc(Cl)ccc2Cl)nnc1SCC(=O)OC1CCCCC1 6878506 SIRPLZGYPSSACD-UHFFFAOYSA-N 443.400 5.185 0 40 IKAB CCC(=O)Oc1cc2oc(CC)c(-c3nnc(-c4ccccc4)s3)c(=O)c2cc1CC 8861645 DHZXXGOCFWKNFG-UHFFFAOYSA-N 434.517 5.419 0 40 IKAB CSc1nc(N2CCC(Cc3ccccc3)CC2)c2c3c(sc2n1)COC(C)(C)C3 9209463 QZNGOPRUPAJFQE-UHFFFAOYSA-N 439.650 5.724 0 40 IKAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)C[C@H](/C=C/c2ccccc2)C4)cc1OC 9290212 PJRXAJNPOJWVBX-JBVUFVISSA-N 439.515 5.180 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@H]1c1nc2ccccc2s1 9592058 GRYHPOZMDJRDHZ-INIZCTEOSA-N 430.455 5.029 0 40 IKAB COc1cc2nc(SCc3ccc(F)cc3)n3nc(-c4ccccc4)nc3c2cc1OC 9838649 TWFVCQAEXBTLTN-UHFFFAOYSA-N 446.507 5.393 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC 11866347 UZSXRZAZDDUXFJ-UHFFFAOYSA-N 445.515 6.236 0 40 IKAB biogenic CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1cccnc1Cl 12389523 INZFRESFZTXFSY-UHFFFAOYSA-N 445.972 5.039 0 40 IKAB COc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)cn2n1 12441216 BLKCZHNRSUVPMR-UHFFFAOYSA-N 427.291 5.272 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c(C)c1 12546236 ILGJOHLJKIHSRL-UHFFFAOYSA-N 433.939 5.833 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 12565699 FZRZUSMYZIQIER-HSZRJFAPSA-N 447.966 5.214 0 40 IKAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)Cn2cc(C)nc2C)cc1 12602544 PAHYCQZPTUXGFM-AREMUKBSSA-N 438.531 5.040 0 40 IKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nc4ccccc4s3)c2c1 12708210 LUDXGANTWKXXDP-UHFFFAOYSA-N 442.569 5.946 0 40 IKAB Cc1nc(-c2cccc(NC(=O)COc3ccc(C4SCCCS4)cc3)c2)cs1 12893854 CCKLTXFCCAIZSX-UHFFFAOYSA-N 442.631 6.005 0 40 IKAB Cc1nnc(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)n1C1CCCCC1 13121046 GRFXYECMODLERE-OAQYLSRUSA-N 444.601 5.290 0 40 IKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c1 13145837 IUKLVEXLSTZUQX-SJORKVTESA-N 427.595 5.166 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 13660669 UQHJYVGDWXRYLX-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1cccc(C)c1 13925312 LAQBXMPYNITNQN-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 15865317 CZTMGCPMHKTBOY-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F 16362315 VASLLVVZKMNBHD-UHFFFAOYSA-N 426.513 5.112 0 40 IKAB COc1cc(NC(=O)c2ccc(OCC(C)C)cc2)ccc1-c1cc2ccccc2oc1=O 16575339 IMYDEEHAPFDSLI-UHFFFAOYSA-N 443.499 5.756 0 40 IKAB CCCCCCNC(=S)Nc1cccc2c(NC(=S)NCCCCCC)cccc12 16638123 ZXFMRDBDDJJQCW-UHFFFAOYSA-N 444.714 6.573 0 40 IKAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 17095322 XUVGCLXDTZFPRW-SNVBAGLBSA-N 427.353 5.348 0 40 IKAB O=C(c1cccnc1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373045 HETHBXMXNUJAMI-QHCPKHFHSA-N 436.519 5.045 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373187 CXEBMIILEYDRIX-REWPJTCUSA-N 425.536 5.302 0 40 IKAB O=C(Nc1cccc2ccccc12)C1CCN(C(=O)c2ccc(Br)cc2)CC1 19677074 GXDNDGMFGAIDKO-UHFFFAOYSA-N 437.337 5.093 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1)CCCC2 19690112 KVXUMBZJSNVERB-NRFANRHFSA-N 448.542 5.106 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20151643 COTUYWFFBAFJRJ-UHFFFAOYSA-N 428.941 5.343 0 40 IKAB O=C(CSCc1ccccc1Br)NCCSc1ccc(Cl)cc1 20238160 LFPAKUOVCTVUAR-UHFFFAOYSA-N 430.820 5.244 0 40 IKAB Fc1ccc(NC(=S)N2CCN([C@H](c3ccccc3)c3ccc(Cl)cc3)CC2)cc1 20438022 QQBDMUPATHSDRI-HSZRJFAPSA-N 439.987 5.583 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)c(Cl)c1 20453643 OPRZVTKZMLPVOU-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB O=c1[nH]c(CN(Cc2ccccc2)Cc2ccco2)nc2scc(-c3ccc(F)cc3)c12 22357825 JIHHZSWGNQNGPA-UHFFFAOYSA-N 445.519 5.586 0 40 IKAB S=c1[nH]c(/C=C/c2ccccc2)nn1CN1CCC(c2nc3ccccc3s2)CC1 22757130 UXMMDHWGSQVNPK-ZHACJKMWSA-N 433.606 5.558 0 40 IKAB COc1ccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cs2)c(OC)c1 24843672 VVDLWLLHQRTNGN-GOSISDBHSA-N 430.595 5.070 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1Cl)C1CCN(C(=O)c2cccs2)CC1 25731663 SXAGNGIVQKNZGA-UHFFFAOYSA-N 425.937 5.526 0 40 IKAB CCN(Cc1ccccc1NC(=O)c1cc(F)c(Cl)cc1Cl)C(=O)OC(C)(C)C 32925873 YRGXGHKLCIBXDE-UHFFFAOYSA-N 441.330 6.142 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C\c3cccc(Br)c3)nc3ccccc3c2=O)cc1 33414225 YVTNGBWPRTWZQK-JYRVWZFOSA-N 447.288 5.017 0 40 IKAB COc1ccccc1Nc1nc(-c2sc(NC(=O)C[C@@H]3CCCCO3)nc2C)cs1 40556488 DRBSJFNCVFSEGI-AWEZNQCLSA-N 444.582 5.225 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1ccc2nsnc2c1 57313970 XOVDCRYCCQULDN-UHFFFAOYSA-N 433.876 5.370 0 40 IKAB Cc1[nH]c(SCc2nnc(-c3ccc(Cl)cc3Cl)o2)nc1Cc1ccccc1 58370072 UGFVVFYVCYTMBT-UHFFFAOYSA-N 431.348 5.958 0 40 IKAB Brc1cccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)c1 67262198 CMCIYYMMUSWHTH-UHFFFAOYSA-N 430.309 5.319 0 40 IKAB CCc1c(CN2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc2n1C 72361008 CKJYGHLQPFDEDC-KRWDZBQOSA-N 446.620 5.042 0 40 IKAB Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)c3csc4ccccc34)CC2)o1 100156469 NXFSCMFFSUZFKH-GASCZTMLSA-N 438.578 5.420 0 40 IKAB Cn1/c(=N/C(=O)c2ccc(Oc3ccccc3)cc2)sc2ccc(Br)cc21 100810613 WEIAWZHQNOXZPJ-LNVKXUELSA-N 439.334 5.536 0 40 IKAB CCC12C[C@@H]3C[C@@H](C1)CC(P(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1)(C3)C2 102129267 FUEYLKINWIXRMF-XCGOXOSTSA-N 434.520 7.682 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3Cl)C2)ccc1Br 103718541 GQKJWQYBJLXTDC-NSHDSACASA-N 442.140 5.056 0 40 IKAB CC1(C)[C@@H]2CC[C@@H](O2)C(C)(C)[C@@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@@H]1O2 104134956 DPCOSXVVGHPESL-UMIWTETDSA-N 448.688 6.295 0 40 IKAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1ccc(OCCSc2ccccc2)cc1 219266251 DQVGTCGUBKCCON-UHFFFAOYSA-N 445.544 5.180 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(C(F)(F)F)c1 222717423 QWVSUMHWBSENMW-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222785796 KVOPELBGKHTBTH-GOSISDBHSA-N 447.044 5.214 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223088574 FQFIJRPYBPTVJQ-ZEQRLZLVSA-N 432.593 5.186 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223118496 BRQBSLQWGIEFDY-RUZDIDTESA-N 438.999 5.307 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 223423067 CHHHMPHSEIVYSK-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 223817458 XEONFUPKWRTFJI-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 223867706 ZARPZJUBVGQQNF-MRXNPFEDSA-N 448.991 5.047 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 224199737 DMPHEAZEGTYDOO-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)ccc1F 224896525 NPKGAHCGQKZQIV-LOSJGSFVSA-N 448.611 6.240 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 224950183 NZJGINBWTCDLDW-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)n1 225290372 TXEMUJWRDORKKJ-UHFFFAOYSA-N 443.934 5.685 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl 225675463 RICVOUJQZORTEY-GOSISDBHSA-N 432.973 5.414 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC 225750441 KKFXUTWBVNDQCY-MRXNPFEDSA-N 429.944 5.754 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2cccnc12 225869933 AQJZOMXJAMRPKQ-UHFFFAOYSA-N 436.983 6.908 0 40 IKAB O=C(c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1)N1CCCCC1 225871165 MBIXOCAXHIJVNX-UHFFFAOYSA-N 435.637 5.545 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 245380359 XGDVSJLOTVQNKY-YPAUXUMISA-N 440.712 7.446 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CCC2CCCC2)CC1 257207760 BJCUTGOECIWCSY-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CCc2ccccc2F)C1 257264425 LUHWHJZDDMQUAP-GOSISDBHSA-N 438.568 5.127 0 40 IKAB O=C(Nc1nc(C(F)(F)F)c(-c2ccccc2)s1)c1ccccc1Br 408561351 IFNRDHMNRXTKDX-UHFFFAOYSA-N 427.245 5.844 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 408575563 NXIZMJYMUKBEOG-FCDQGJHFSA-N 425.915 7.312 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1 408578117 VSCGSQSZMFMSAX-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)C(=O)[C@H]2C1 408682715 LGNDWFRIJGFZPW-ZFWWWQNUSA-N 429.303 5.091 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1CCc1ccccc1 409008508 ZMBHEAYPCNNCME-UQQQWYQISA-N 438.552 5.969 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 409177572 AHOKYEMYZYXHEJ-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB CC(C)Oc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409340268 TWBJSUDRIREQQC-LJAQVGFWSA-N 448.566 6.840 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2CC)cc1 409343568 HTAZMHLWYAFEEJ-UHFFFAOYSA-N 440.956 5.658 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)c1 409412201 TXQXZOCHWJBQBZ-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Cc1nccn1CCC(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643582335 SSXWLFRTWLQEEN-DEOSSOPVSA-N 446.595 5.030 0 40 IKAB O=C(O)[C@H](Sc1nccc2oc(-c3ccccc3)c(-c3ccccc3)c12)c1ccccc1 1554502579 NLQMCJHIGZBCJR-RUZDIDTESA-N 437.520 7.080 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 640191 REOAFLMBSBJHRF-RUZDIDTESA-N 434.561 5.738 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N 661411 RDHRZSVJYWQPNQ-UHFFFAOYSA-N 437.908 5.488 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 866507 GUUVTSIIXBWRTG-ZBFHGGJFSA-N 440.878 5.819 0 40 IKAB COc1ccccc1-n1c(SCC(=O)Nc2ccc(C)cc2C)nnc1-c1ccccc1 1221426 HNNGUAWCTQQLAJ-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1 1341599 RKYNUWMRKQMDJA-VWLOTQADSA-N 446.547 5.434 0 40 IKAB Cc1sc(NC(=O)c2ccco2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1366550 DUDWSQROZLQBFB-UHFFFAOYSA-N 435.549 5.433 0 40 IKAB CCCCCCSc1nnc2n(C)c(=O)c3c4c(sc3n12)C[C@H](C(C)(C)C)CC4 1856849 MITWQHRUJHYQHN-CQSZACIVSA-N 432.659 5.466 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 1895642 ODAXARQMSKBSIX-NRFANRHFSA-N 437.586 5.886 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)c4ccccc4)ccc3c2=O)c1 1904815 FSWWFSCWVHOZRK-UHFFFAOYSA-N 440.373 6.132 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1cccc(OCc2cccc(F)c2)c1 2084081 OOKKGWUYCGNHPY-NKVSQWTQSA-N 443.808 5.681 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2105784 RAEMKNYLNUMZEW-OAQYLSRUSA-N 436.599 7.154 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCCCCC1 2182536 LLWPDFYUYHVKRQ-SANMLTNESA-N 438.615 6.521 0 40 IKAB CCOc1cccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)c1 2258691 LTGXBMPMPQKXLS-UHFFFAOYSA-N 433.327 5.232 0 40 IKAB Cc1cc(C)cc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 2327075 ZOTNRCJFUNZKGY-SFHVURJKSA-N 435.531 5.264 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1cccc(Cl)c1 2368793 GZJPQYWRWFGZPP-UHFFFAOYSA-N 446.384 6.396 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc1 2657976 LGSRSMZNFRNFRC-UHFFFAOYSA-N 434.546 5.048 0 40 IKAB CCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 2703481 DRVXKGJMXMKWIM-QHCPKHFHSA-N 426.472 5.117 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2737811 UJXUJCXECMRXTB-JTQLQIEISA-N 427.740 6.176 0 40 IKAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1C(F)(F)F 2890008 HJWSYTXPHSFZNR-AWEZNQCLSA-N 434.361 5.166 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 2948837 RALSCZRSCADZBS-UHFFFAOYSA-N 448.523 5.642 0 40 IKAB CCN(C(=O)COC(=O)/C=C/c1ccc(Cl)cc1Cl)c1cccc2ccccc12 3322095 CABYRZGUVDBJTO-ACCUITESSA-N 428.315 5.756 0 40 IKAB Cn1c(CNc2ccc(N3CCN(c4ccc(Cl)cc4)CC3)cc2)nc2ccccc21 8438933 GCTIZLHCRLKVIR-UHFFFAOYSA-N 431.971 5.165 0 40 IKAB CC(NC(=O)N(Cc1ccccc1)Cc1ccc2c(c1)OCO2)(C(F)(F)F)C(F)(F)F 8672261 RQRJKOKZSFDJAQ-UHFFFAOYSA-N 448.363 5.010 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc(Br)cc1)C[C@H](C)CC3 8870363 WBGCWUBQHMBAAR-GFCCVEGCSA-N 434.355 5.429 0 40 IKAB COc1ccccc1Cc1nnc(NC(=O)C2c3ccccc3Oc3ccccc32)s1 9196765 PVCLWDLGUMKUAJ-UHFFFAOYSA-N 429.501 5.014 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2ccc(C)c(C)c2)c1 9427794 XZLPJLKKERGNEN-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1NC(=O)c1ccc(Cl)cc1 9458478 QDXGRMJRVUESAJ-UHFFFAOYSA-N 427.895 5.467 0 40 IKAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccccc1 9495519 YMIHNENYYYZRHG-HXUWFJFHSA-N 441.000 5.635 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)CSc2ccccc2)c2c[nH]c3ccccc23)cc1 9594924 INVAZLCWARZBTK-HSZRJFAPSA-N 429.589 5.274 0 40 IKAB COc1ccc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc1Cl 9606505 MDWPBAHMIJAJSL-HXUWFJFHSA-N 444.293 6.393 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(-c2ccc3c(c2)CCCC3)o1 9910973 CHHBWXSASBWMBI-UHFFFAOYSA-N 427.957 5.780 0 40 IKAB COc1cc(NC(=O)/C=C/c2cccc(OCc3csc(C)n3)c2)c(OC)cc1Cl 10430884 YNVVNNRDUDOEAD-BQYQJAHWSA-N 444.940 5.353 0 40 IKAB CCc1ccc2c(c1)[C@@]1(Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 11990392 CYJJHXZMCITFHC-RCZVLFRGSA-N 429.907 5.251 0 40 IKAB Clc1cccc(Cc2nc(OCc3ccc(Cl)cc3Cl)c3ccccc3n2)c1 12338489 ZWLWNRXKKLZNHJ-UHFFFAOYSA-N 429.734 6.760 0 40 IKAB Cc1noc(C)c1CC(=O)Nc1nc(-c2cc(C)n(CCc3ccccc3)c2C)cs1 12388816 ALMLHNKQZULISF-UHFFFAOYSA-N 434.565 5.257 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccc(F)c(F)c4)[nH]c(=O)c23)cc1 12890484 ZPFMCSKOADHBIG-CYBMUJFWSA-N 425.504 5.397 0 40 IKAB O=C(OCc1cc(F)cc2c1OCOC2)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 12897521 BETLMHMTFGZPQJ-QZTJIDSGSA-N 427.497 5.319 0 40 IKAB Cc1cc(NC(=O)COC(=O)C(c2ccccc2)c2ccccc2)ccc1Br 13138204 XPHHOAXBRXXLLB-UHFFFAOYSA-N 438.321 5.071 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 13499976 JFCPTAQNQRYEJT-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB CCOCCCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1Cl 13513880 ASGXNYVQYLJAJT-UHFFFAOYSA-N 441.959 5.259 0 40 IKAB CCn1c(COc2ccccc2Cl)nnc1SCc1ccc(Cl)c(Cl)c1 13841837 GMGHAJYNJAANRE-UHFFFAOYSA-N 428.772 6.130 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc3c(=O)c(-c4ccccc4)c(C)oc3c2)cc1 14734830 FPLGHQNJJUJGJN-GOSISDBHSA-N 441.483 5.377 0 40 IKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccc(Cl)cc1 15412380 LAUIHJGMLITEMF-IWCMWKPHSA-N 444.962 5.809 0 40 IKAB Cc1ccc(Sc2cnc(SCc3ccccc3)nc2C(=O)Nc2cccnc2)cc1 15835358 NFOMIUUGDBMYPS-UHFFFAOYSA-N 444.585 5.876 0 40 IKAB Cc1ccc(SCC(=O)c2cc(Br)c(C)c(Br)c2O)cc1 16310944 RKDRJLRIEIWNGR-UHFFFAOYSA-N 430.161 5.509 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nc2c1 16610845 DQEUDPNEVHMJFZ-HXUWFJFHSA-N 446.550 7.928 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 16739511 LEOFHVXTPWUYOD-UHFFFAOYSA-N 429.523 6.236 0 40 IKAB Cc1ccc(-c2cc(OC(=O)c3oc4ccc(F)cc4c3C)cc3sc(=O)oc23)cc1 16750287 OQEXHOITUJZAAI-UHFFFAOYSA-N 434.444 6.243 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccc(C)cc3)csc2c1=O 16846175 JJWMAJPDYGZVPD-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB O=C(c1ccccc1)c1ccc(-c2nc(-c3c[nH]c4ccccc34)[nH]c2-c2ccccc2)cc1 18194481 OTPCEXVDHUCRCG-UHFFFAOYSA-N 439.518 7.123 0 40 IKAB Clc1ccc(-c2nnc(SCc3nnc(-c4ccc(Cl)cc4Cl)o3)o2)cc1 19928750 NGRHCLAVXJNAJI-UHFFFAOYSA-N 439.711 6.039 0 40 IKAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20030046 QHBPJXWAAJQHDF-UHFFFAOYSA-N 441.393 5.657 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411295 RCTPTEMURJAUOQ-SFHVURJKSA-N 428.532 7.048 0 40 IKAB Clc1ccccc1COc1ccc2ccccc2c1CNC12CC3CC(CC(C3)C1)C2 22073718 GXWUBYJXMKSKQI-UHFFFAOYSA-N 432.007 7.131 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2C)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 27019725 GWIZYIRCHFHMFF-UHFFFAOYSA-N 449.450 5.058 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc(-c4ccc(C)cc4)on3)cc2)cc1 28580916 ASDCPPCKYXSXSA-UHFFFAOYSA-N 427.460 5.163 0 40 IKAB CCCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026810 FACRBFMKGRGNQP-UHFFFAOYSA-N 437.503 5.589 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 35172770 VNDCETFBKKPJKE-UHFFFAOYSA-N 428.989 5.328 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3ccccc3)nc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 35681832 QPIYAKCKCMUYND-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 36391334 CPKOFJMWZLTIJF-HSZRJFAPSA-N 433.552 5.197 0 40 IKAB CCc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621651 FHOGVVCSBWBQKZ-UHFFFAOYSA-N 436.437 5.530 0 40 IKAB CCOP(=O)(OCC)C(c1ccccc1-c1ccccc1)P(=O)(OCC)OCC 39953684 MBKJISYBXHHYBN-UHFFFAOYSA-N 440.413 6.884 0 40 IKAB CC(C)n1nc(C(=O)N2CC[C@@H](C)Sc3ccc(Cl)cc32)c2ccccc2c1=O 40150730 POXPYNJEYWYXCL-CQSZACIVSA-N 427.957 5.162 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C 44911676 NPAUHTHFWNCOJW-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)[C@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 48263767 KITGQIQFVLIYGA-QGZVFWFLSA-N 446.359 5.360 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)Nc1ccc2c(c1)OCCCO2 65565726 GLVVBQZETAJNKM-UHFFFAOYSA-N 442.924 5.376 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2C(F)(F)F)c(C)c1 67297246 WQLCNDJNLJCYKU-KRUMMXJUSA-N 436.433 6.553 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1ccc2cccc(OC)c2n1 72370373 JLHIVEAWVNSLLS-IBGZPJMESA-N 445.588 5.025 0 40 IKAB COC(=O)c1ccc2c(n1)nc(NCc1ccccc1Cl)n2[C@@H]1CCc2ccccc21 95642836 KFEXPWDMDDVECG-HXUWFJFHSA-N 432.911 5.019 0 40 IKAB Cc1ccc([C@@H](C)N(C(=O)CCc2c(C)nc3ncnn3c2C)c2cc(C)ccc2F)cc1 97163202 CIMCHJXCERKPSX-LJQANCHMSA-N 445.542 5.224 0 40 IKAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc(Br)c1O 104563135 DJPJRHQGDBJCCU-UHFFFAOYSA-N 449.370 5.177 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c(C)n1-c1sc2c(c1C(=O)O)CCCC2 107773346 URSFKYGWRIKQQC-YVLHZVERSA-N 444.578 5.177 0 40 IKAB COc1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c([N+](=O)[O-])c1 108838563 NWMQPEPIEAEPIP-UHFFFAOYSA-N 434.388 6.321 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC(C)C)cc1 222595911 CPLUVDABSXOIDE-HSZRJFAPSA-N 429.004 5.167 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCCSCc1cccc(Cl)c1 222716684 MUIKSIUUVKGIQX-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1C(C)C 223369734 QMDATZIXYLLLEA-OAHLLOKOSA-N 440.436 6.544 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223701189 AVHVTKLCDXGTRK-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 223770271 BVQPCCSHSZEDGS-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 223792702 FQWOBYSGBKPEQN-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccc(C)cc1 224199212 NBDQVKZVHZPBJO-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224206565 KFCWQQHBJUXOOO-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C 224244936 MSPBPQUSZAOFNJ-LJQANCHMSA-N 447.044 5.071 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224331347 OUWDSHOLYULSSO-RPWUZVMVSA-N 428.561 5.264 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 224478274 CMOXECWQVXFZMV-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1C(C)(C)C 224511035 MNNGEFDATKPFAD-UHFFFAOYSA-N 439.502 6.492 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224539469 QDTHMOGDBJFJAR-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 225673773 NKIKHIBHVKLAMT-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225749997 DNRPOXFTSCKQJT-XLGIIRLISA-N 432.649 5.747 0 40 IKAB Cc1cccnc1Nc1cccc([C@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)n1 257206317 BCVSYZZPAXXWIM-NRFANRHFSA-N 447.627 5.102 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257269984 MSHFAQKQJSZYAG-JOCHJYFZSA-N 437.543 5.310 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@@]12C)[C@]1(C)CCCC[C@@H]1C[C@]3(Cl)N=O 257350637 YWKIAPGRTFZIHG-JLWLVMJVSA-N 436.124 8.809 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)sc2n1 408622562 REOPRVUVSMZKNF-UHFFFAOYSA-N 433.002 5.618 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(Cl)c2C)cc1 408696213 XUAMIIAXIPXNCN-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2c(C)cccc2Cl)nc1-c1ccc(Cl)cc1 408697320 IZFGIYLZYSRNEQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(Cl)cc1 408698691 RKMROKNGAPJWRF-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c1 408699770 WDNIDLTWDGRKHY-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 408887595 PEQAMYFKWUQQGV-UHFFFAOYSA-N 431.355 5.822 0 40 IKAB Cc1cc2nc3s/c(=C/c4ccc(-c5ccc(Cl)cc5Cl)o4)c(=O)n3c2cc1C 408974722 CJEUHBYEOYFPBJ-KEBDBYFISA-N 441.339 5.641 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Br)cc3)cc2)c1 409193894 HDAMEKBPNVLBIQ-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)c(C)c1 409198231 AHZTYDNVBFTQPU-UHFFFAOYSA-N 447.387 6.644 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(Cl)cc1 409204086 ARSOQCQGVQHFSK-UHFFFAOYSA-N 442.968 6.026 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCc4ccccc4)C3=O)o2)cc1 409210888 LXUPMAOPEHJVTI-CJLVFECKSA-N 447.512 5.402 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2CC)cc1 409326460 BWSFFSOBHXOCBH-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCCCCCN(Cc4ccccc4)CCC3)nn2C)cc1 643562716 ZZHCAPWCUSENCR-UHFFFAOYSA-N 444.623 5.304 0 40 IKAB CCN1CCCCN(C(=O)c2cccc(Cl)c2)[C@@H](C(C)C)COc2ccccc2C1=O 643566215 DMANFWYHVHSCLA-JOCHJYFZSA-N 442.987 5.142 0 40 IKAB O=C(NCc1cccc(-c2ccc(C(=O)O)cc2)c1)OCC1c2ccccc2-c2ccccc21 1535646133 YHZREAPISCKDPV-UHFFFAOYSA-N 449.506 6.091 0 40 IKAB Cc1ccc(CN2CCC(N3C(=O)NCCc4ccccc4[C@@H]3c3ccccc3)CC2)s1 1615530097 QIIYZUMUFBOFOR-SANMLTNESA-N 445.632 5.378 0 40 IKAB COC1CCC(Cc2ccc(-c3cccc(C)c3C)cc2)(C(=O)NC2CCN(C)CC2)CC1 2037845738 IWIDAYVKQLHTPV-UHFFFAOYSA-N 448.651 5.299 0 40 IKAB CCOc1ccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 1298111 WAJKDEVMUTYZLI-HSZRJFAPSA-N 447.560 6.205 0 40 IKAB Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)c1 1352860 GXQNZUGBXGFOQC-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)cc1C(=O)c1ccccc1Cl 1994241 VCCCKUHNHRVVRF-JLHYYAGUSA-N 440.724 5.985 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1 2081649 XKMHRYSFIACCJF-LSHDLFTRSA-N 439.845 5.850 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2411247 RUUVJZUSGUOEIA-LJQANCHMSA-N 436.920 5.578 0 40 IKAB CCOC(=O)c1ccoc1CSc1ncnc2scc(-c3ccc(Cl)cc3)c12 2655100 FZNMKLHTOXYQJG-UHFFFAOYSA-N 430.938 6.074 0 40 IKAB Cc1nc2ccc(NC(=O)CCCCC(=O)Nc3ccc4nc(C)sc4c3)cc2s1 3069132 WCUQLMYGAMIVHA-UHFFFAOYSA-N 438.578 5.660 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 3202123 FVRHOCCRGDGMIQ-QHHAFSJGSA-N 445.268 5.501 0 40 IKAB CCOC(=O)c1c(N)n(-c2cc(Cl)c(Cl)cc2Cl)c2nc3ccccc3nc12 3261075 SLZLCPXSZPMXHI-UHFFFAOYSA-N 435.698 5.293 0 40 IKAB COc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 3328049 CTZHWFBXNLYPKE-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB Cc1cc2nnc(S[C@H](C)C(=O)Nc3ncc(Cl)cc3Cl)n2c2ccccc12 3334172 XMHKOOZOKWYFJQ-LLVKDONJSA-N 432.336 5.012 0 40 IKAB Cc1ccc(-c2nnc(SCCOc3ccccc3C)nc2-c2ccc(C)cc2)cc1 3337279 QZFHFTMPNIRWGW-UHFFFAOYSA-N 427.573 6.302 0 40 IKAB CC(C)(C)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1 3396369 BDBGSWOMFJSMCI-WOJGMQOQSA-N 439.534 6.628 0 40 IKAB CC(=O)c1ccccc1OCCSc1nnc(Cc2cccs2)n1C1CCCCC1 3415505 QXZXCFOEPUFNLF-UHFFFAOYSA-N 441.622 5.809 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1F 3432103 WYBIRJUZRYSNLK-UHFFFAOYSA-N 443.503 5.290 0 40 IKAB Cc1cccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)c1 3483369 FYUCJZGTQFURCH-UHFFFAOYSA-N 426.973 5.001 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146992 ODAHITWEXYFQFG-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 8453355 NQTCSHCOVVSFKG-LBPRGKRZSA-N 441.163 5.488 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cc(C)ccc1C 8605382 XBSJOCNECRMVJX-UHFFFAOYSA-N 429.563 5.318 0 40 IKAB CCCC(CCC)C(=O)Nc1ccc2c(c1)N(C(=O)CN(CC)CC)c1ccccc1CC2 8817281 HLVWVJMDWSKULG-UHFFFAOYSA-N 449.639 5.947 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1 8828171 FLKXJCWFANQNHJ-HSZRJFAPSA-N 431.539 6.067 0 40 IKAB COc1cc2c(cc1OC)/C(=C/c1ccccc1)OC(c1ccccc1)=C2c1ccccc1 9065939 JFRRQEQQRRZZLM-ITYLOYPMSA-N 432.519 7.149 0 40 IKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)cc1Cl 9296342 XIMJWGVNHLCOMW-YBFXNURJSA-N 440.326 6.464 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccccc2)cc1 9308940 GFPPTBHXMVNKSZ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1C 9374467 FCDSVZUJVRCPOI-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1ccc2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc2c1C 9545097 LSGCCNVPGWOIFI-UHFFFAOYSA-N 430.558 5.765 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2cccnc12 9600911 TZTZHUYTZKHNCN-OQUNMALSSA-N 430.507 5.478 0 40 IKAB COc1ccccc1C(=O)N(Cc1cccnc1)c1nc2c(OC)ccc(Cl)c2s1 9708984 IPUMZXLKVIUHJA-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1cccc(Cl)c1 9855923 LOPAEHMGVWZHIK-UHFFFAOYSA-N 444.918 5.087 0 40 IKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 10015596 ZIUKKSNNTIRABD-QGZVFWFLSA-N 431.517 5.957 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)cc1 10029095 FVPQVQWYLIEOQS-QFIPXVFZSA-N 447.560 5.848 0 40 IKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)CCSc3ccc(C)cc3)nc12 10187736 NVDYTXNTBUFELD-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB CCCCc1ccc(NC(=O)CCCN(c2cc(Cl)ccc2C)S(C)(=O)=O)cc1 10433901 SOEYAOFTXYUFPQ-UHFFFAOYSA-N 437.005 5.176 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4cccc(Cl)c4)c(C)c3cc2c1C 11691865 NAXYUHMXRFEWEI-UHFFFAOYSA-N 437.923 5.675 0 40 IKAB CCCC(CCC)C(=O)Nc1ccc(-c2nnc(N(C)c3ccc(OC)cc3)s2)cc1 11797094 OZGBUEDGPHRLGO-UHFFFAOYSA-N 438.597 6.137 0 40 IKAB COc1ccc(F)cc1-c1ccccc1CC1(C(=O)NC2CCCCC2)CCOCC1 12231493 ACHBWWSGCKKEIZ-UHFFFAOYSA-N 425.544 5.290 0 40 IKAB COc1ccc(-n2c(S[C@@H](C)C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 12528980 WWXQRSRLOAFARV-SFHVURJKSA-N 435.593 5.521 0 40 IKAB CC(C)Cn1c(SCc2cc(Cl)c3c(c2)OCCO3)nnc1-c1ccccc1F 12762692 ULDJPBGBPWEQTH-UHFFFAOYSA-N 433.936 5.457 0 40 IKAB CCN(CC)[C@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 12901003 ORHYIZVMEWGFDI-HSZRJFAPSA-N 439.003 5.015 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)c2ccccc2OCc2c(C)noc2C)cc1OCC 12973322 UCHBSORTJGWPLP-INIZCTEOSA-N 438.524 5.159 0 40 IKAB Brc1ccc(-c2nnc(CN3CCCC[C@@H]3c3nc4ccccc4s3)o2)o1 13013623 OGBMRTNEIANPCE-CYBMUJFWSA-N 445.342 5.429 0 40 IKAB CC(C)c1ccc(-c2noc(CSc3nnc(COc4ccc(F)cc4)o3)n2)cc1 13029026 XMXCPBOUBLNFFI-UHFFFAOYSA-N 426.473 5.253 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1cccc(Cl)c1)CC2 13056063 NFDVJCBHMBGZGQ-HSZRJFAPSA-N 442.968 5.005 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N[C@@H](C)c1ccccc1 13163834 ICPPGIRBMYLCDP-FQEVSTJZSA-N 438.527 5.657 0 40 IKAB Cc1c(NC(=O)c2cccc3c(Cl)cccc23)cccc1-c1nc2ccccc2s1 13946053 UQVITXRNNBMEED-UHFFFAOYSA-N 428.944 7.331 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 14269711 FFZKUIKWHISKMQ-UHFFFAOYSA-N 449.557 5.113 0 40 IKAB Cc1nc2cc(C(=O)OCC(=O)Nc3ccc(C(C)(C)C)cc3)ccc2n1-c1ccccc1 14360806 ZNDKARLZKAOSQX-UHFFFAOYSA-N 441.531 5.427 0 40 IKAB COc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 15227331 VJQZMZWKSRRFAV-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)cc1C 16844932 JLIOKEGVSUAXTP-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB Nc1nnc(SCCCCCCCCCCCCSc2nnc(N)s2)s1 16940875 MWMUYLRULAJDDS-UHFFFAOYSA-N 432.710 5.339 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(Cl)c1Cl 19633216 LIKIEBABWLLLNP-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20456875 CLKCIGFOFNOCIK-DEOSSOPVSA-N 430.548 5.652 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672342 NNKQHBUKBTXYAI-DEOSSOPVSA-N 449.551 5.466 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c1 21579448 WWIPEPWUXLNKFY-UHFFFAOYSA-N 436.895 5.953 0 40 IKAB CN(C)C(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=O)c1ccc(Cl)cc1 27061805 JQXHUZKKLLSBJT-UYRXBGFRSA-N 429.303 5.113 0 40 IKAB Clc1ccccc1N1[C@@H](n2nnc3ccccc32)CCC[C@H]1n1nnc2ccccc21 33413355 MTIZOFGVMJWOLE-ZRZAMGCNSA-N 429.915 5.217 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1csc(-c2ccc(Cl)cc2)n1 40005237 NGOGSYIUQVYPGT-UHFFFAOYSA-N 438.940 5.564 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078885 RGALAUUFXXMJAS-UHFFFAOYSA-N 434.923 5.584 0 40 IKAB COc1ccccc1NC(=O)c1cnc([C@@H]2CCCCN2CCCc2ccccc2)nc1C 72345439 QBNFEBHMCPVCOA-DEOSSOPVSA-N 444.579 5.206 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72350226 VCORRQGKCOLPPH-SFHVURJKSA-N 443.469 5.321 0 40 IKAB O=C1N=C(Nc2cccc(OC(F)(F)F)c2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401151 ZXLUROLQSIUPFH-SXGWCWSVSA-N 431.395 5.145 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2ncc(-c3ccccc3)o2)c1 95947042 VLXLULRPSPDKDY-FQEVSTJZSA-N 425.532 6.063 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)c(Cl)c1 98072991 WMWXYTIXJKHPEI-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB CC(C)c1cc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)on1 100219440 SAXNUWMXXWXYEU-MAEOIBBWSA-N 445.523 5.100 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccccc2)cc1OC 101347779 RXPSIUVZCCTXDZ-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102833387 SLSAISYRPRDYQV-VMFHFQHDSA-N 442.844 5.024 0 40 IKAB CCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc2c(c1)OCO2 102969913 ZTSRWDCYWYGWBV-AREMUKBSSA-N 446.547 6.398 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C2=O)cc1 106702158 UVUNOOCMXDGHPY-JAIQZWGSSA-N 444.339 6.798 0 40 IKAB Cc1cccc(C(=O)N[C@H](c2nnc(SCc3ccc(Cl)cc3)n2C)C(C)C)c1 107722601 PCXKZVVFPTZRDK-IBGZPJMESA-N 428.989 5.196 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1O[C@@H](C)CC 214155123 SUWLQZXGNRUUFU-PCXKXAPESA-N 445.968 6.153 0 40 IKAB O=C(NCCCc1ccccc1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219962332 PCLXWIMHIROFLH-UHFFFAOYSA-N 426.604 5.504 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220253306 YKJGQIWWFKXDKZ-CQSZACIVSA-N 443.396 5.129 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222689511 KVRDSFLZOKIUSR-UHFFFAOYSA-N 440.052 7.319 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 223049682 KUECOBNSNQJEFV-PKTZIBPZSA-N 426.630 5.014 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224021255 CKDKEWBQDAAUBV-VWLOTQADSA-N 448.994 5.049 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1F 224426163 XOOXGOMCKFKLHD-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1c1ccc(Cl)cc1 224471566 WDSFWZPHPSSKKI-GOTSBHOMSA-N 430.964 5.703 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1Cl 225029495 PDVZODGVPSPSEB-PKTZIBPZSA-N 437.996 6.219 0 40 IKAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)CCc1ccc(Cl)cc1Cl 225381310 NFJWFAPLBLCXDD-UHFFFAOYSA-N 446.378 5.932 0 40 IKAB S=C(NCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(OC2CCCC2)cc1 225821324 QQPFMFCXIIPIRY-UHFFFAOYSA-N 428.945 5.198 0 40 IKAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)c1ccccc1 225962094 YOAFXWMAYGCWQD-GOSISDBHSA-N 442.544 6.109 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257262686 LMKNQDFTRZJZOC-XMMPIXPASA-N 448.994 5.882 0 40 IKAB Cc1cc(OCc2nc(N3CCC[C@@H]3c3ccccc3)ncc2C(=O)O)cc(C)c1Cl 257280672 OLVUMYMLQKUQSD-OAQYLSRUSA-N 437.927 5.366 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(Cl)cc2F)C1 257302906 SEXDTNHEVPFOKI-VWPQPMDRSA-N 440.342 5.637 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1ccc(Cl)cc1 408697136 HUYHBOUMLCEXMI-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(F)c2)=N[C@@H]1c1ccccc1 408991620 QSOVAZUKCNXOAW-HSZRJFAPSA-N 446.547 5.734 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1 409024666 MQLUXMOQWPOHOI-UHFFFAOYSA-N 436.577 5.206 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4F)cc3)C(=O)O2)cc1Cl 409195780 KVJSYAGBAQRATP-MTJSOVHGSA-N 435.838 5.351 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409258463 UDYBXYULUDVUEG-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 409261481 CJLIHIXNUKELNL-QGOAFFKASA-N 426.299 5.959 0 40 IKAB COc1ccc([C@@H](CNC(=O)[C@@H](CC(C)C)n2cccc2)c2c[nH]c3ccccc23)cc1 524735691 RODIQINRVTXUIN-ZEQKJWHPSA-N 429.564 5.514 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc1OC 647302 SJNMKJOWLUSYHQ-SXYGSOHHSA-N 428.532 5.696 0 40 IKAB biogenic CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc2ccccc2c1 684310 MQPVHORFSUARKG-HSZRJFAPSA-N 428.517 5.248 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 827039 PESMZIUFAGBSHV-UHFFFAOYSA-N 440.809 5.521 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4cc5c(cc4Cl)OCO5)C3=O)c[nH]c12 1013162 ACBNUXCJQCOFNV-GXHLCREISA-N 440.908 5.349 0 40 IKAB CC[C@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(Cc3ccccc3)c(=O)c21 1801714 VLMRNVCYUAUXIR-HHHXNRCGSA-N 432.633 6.321 0 40 IKAB Cc1cc(OC(=O)COc2ccc(Br)cc2Br)cc(C)c1Cl 1807938 JZTHQCHJYKLTNQ-UHFFFAOYSA-N 448.538 5.466 0 40 IKAB CCc1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1814175 YXXWFGNVWSMRIV-UHFFFAOYSA-N 432.951 6.139 0 40 IKAB O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1ccccc1Cl 2060050 PAUUBEDRJIHMAQ-UHFFFAOYSA-N 436.714 5.782 0 40 IKAB Cc1c2c(n(C3CCCCCC3)c1-c1ccccc1)[C@H](c1ccccc1)Oc1ccccc1-2 2060380 MNQJCTOHTGSXJR-HKBQPEDESA-N 433.595 8.508 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 2062624 PCPROCGPKNIHDZ-UHFFFAOYSA-N 428.532 6.851 0 40 IKAB COc1cc(COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C)cc(OC)c1OC 2133843 YBBXHYGSKLVYFW-UHFFFAOYSA-N 432.472 5.373 0 40 IKAB biogenic Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 2639965 XVWWKAGPBHRGRB-UHFFFAOYSA-N 448.588 5.296 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 2649368 QNTIZRVUWIQVHN-UHFFFAOYSA-N 426.472 5.108 0 40 IKAB O=C(COC(=O)/C=C/c1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 2652602 MZKCWUKCODETCL-CCEZHUSRSA-N 430.485 5.284 0 40 IKAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)N[C@H]1CCCc2ccccc21 2725997 OHZGCGFWMSQWBO-KRWDZBQOSA-N 433.364 5.064 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl 2889704 JWPZOWZKPJKNNV-UHFFFAOYSA-N 440.735 6.414 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 3417983 BALGLXVDJIQVRU-UHFFFAOYSA-N 430.529 5.198 0 40 IKAB aggregator Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)c(C)c1 4555122 SPAGEVNQWHVXAP-MUUNZHRXSA-N 427.544 5.052 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1 5948925 WXHIDOAKAONPLM-UHFFFAOYSA-N 447.516 5.034 0 40 IKAB Cc1cc2cc(CN(C(=S)NCCc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C 6320640 VZKJBWNHXAVVLS-UHFFFAOYSA-N 447.648 5.397 0 40 IKAB COC(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 8384444 JAHSFQSGGCHRMT-UHFFFAOYSA-N 436.920 5.964 0 40 IKAB CC(C)(C)c1ccc(Cn2c(-c3ccc[nH]c3=O)nc3cc(Cl)c(Cl)cc32)cc1 8781958 WTAXLDORDCGBQH-UHFFFAOYSA-N 426.347 6.044 0 40 IKAB C[C@@H](Oc1ccccc1)C(=O)NCCSc1c(-c2ccc(F)cc2)[nH]c2ccccc12 8924079 KSOQKARNLNZFIR-QGZVFWFLSA-N 434.536 5.650 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c(Cl)c1 9290932 VIAJQASPXKGQNU-FCHUYYIVSA-N 448.313 5.193 0 40 IKAB COc1cccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9291900 VRMXVWYENXLRDN-IFMALSPDSA-N 434.337 5.954 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OCc3ccccc3)cc2)nnc1-c1ccccc1 9307443 FWOMCRQQVPQNML-UHFFFAOYSA-N 444.560 5.275 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2-c2ccccc2)cc1 9307850 SFJRPYUKTVFUKF-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 9310845 WUEJOYYEXYZXNN-YTMVLYRLSA-N 440.587 7.196 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1Cl)c1cccc2ccccc12 9553802 ZVRAXZGOHRPZPM-UHFFFAOYSA-N 440.930 6.339 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1)c1ccccc1 9680415 RESPVVDSWCHXAE-UHFFFAOYSA-N 442.327 5.928 0 40 IKAB COc1cccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2F)c1 9761128 KNMDMELQWCGWHI-JOCHJYFZSA-N 425.301 5.953 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 10216432 HCTWPOVQGCNUSL-UHFFFAOYSA-N 436.726 5.431 0 40 IKAB O=C(COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl)NC1CCCCCC1 11692366 MXCQFTDHJAALRJ-UHFFFAOYSA-N 425.912 5.331 0 40 IKAB COc1ccc2nc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)cn2n1 11693496 JWQZTPITXQYCHQ-UHFFFAOYSA-N 434.499 5.176 0 40 IKAB C[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCc2ccccc21 12546474 VKRIDSWXQSREQD-KRWDZBQOSA-N 447.991 5.808 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c1 12566698 AEQZCCOSPBXKEY-RUZDIDTESA-N 433.479 5.329 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3)c2)cc1 12662218 ALZLQEKQDXMYCG-ZZIIXHQDSA-N 429.516 6.365 0 40 IKAB biogenic CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(F)cc4)c(N)c3c(C(F)(F)F)c2C1 12858100 YTRWKASJWYJECO-JTQLQIEISA-N 437.462 5.804 0 40 IKAB Cc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(F)c(F)c2F)c1 13040623 MKGCYKOHZAMLLM-UHFFFAOYSA-N 427.831 5.659 0 40 IKAB Cc1ccc(N(C(=O)C[C@H]2Oc3ccccc3NC2=O)c2nc3ccccc3s2)cc1F 13109301 XDYHKAVIMGJEEA-HXUWFJFHSA-N 447.491 5.198 0 40 IKAB O=C([C@@H](Sc1nc(-c2cccs2)nc2ccccc12)c1ccccc1)N1CCOCC1 13127270 FGKJHNNMOWVSMY-NRFANRHFSA-N 447.585 5.051 0 40 IKAB CCCn1c(S[C@H](C)C(=O)c2ccc(C)cc2)nc2ccc(Br)cc2c1=O 13137877 LRXGZPAIOAUZDJ-CQSZACIVSA-N 445.382 5.241 0 40 IKAB Cc1ccc(-c2nnc(SCc3nnsc3Cl)nc2-c2ccc(C)cc2)cc1 13163637 QWFIUDWIQBAYGT-UHFFFAOYSA-N 425.970 5.620 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)cc1C 13680056 UIWMAYDKQFNAER-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)N1CCCCCC1 13717055 RMZLVUUARPUAAH-UHFFFAOYSA-N 426.560 5.864 0 40 IKAB Cc1ccc2occ([C@@H]3Oc4ccccc4[C@H]4CC(c5ccc(Cl)cc5)=NN34)c(=O)c2c1 13810209 HWACLPWDFOEXOK-GJZUVCINSA-N 442.902 5.997 0 40 IKAB Cc1cccc(CSc2nnc(-c3ccc(NC(=O)c4ccc(F)cc4)cc3)n2C)c1 13880086 GAYDQRLSDKABMH-UHFFFAOYSA-N 432.524 5.474 0 40 IKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(Cl)cccc2Cl)cc1 13960310 FIRVKWVBTOMTTC-UHFFFAOYSA-N 444.402 6.519 0 40 IKAB O=C(c1cccs1)c1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 14118700 NUABPMMIXJNXIZ-MRXNPFEDSA-N 432.570 5.609 0 40 IKAB CCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 14269758 XUNBBSLCMZGAPS-FMIVXFBMSA-N 445.371 6.342 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=S)NC(=O)c1ccc(OC(C)C)cc1 14270584 SMGSMELCKRQJKM-UHFFFAOYSA-N 446.532 5.112 0 40 IKAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCC(c2nc3ccccc3o2)CC1 14775525 XFADZTFCFAWGJK-UHFFFAOYSA-N 444.510 5.051 0 40 IKAB O=C(Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 14944056 UQOSHPUSBXOLOT-UHFFFAOYSA-N 428.271 5.248 0 40 IKAB C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@@H]1c1ccccc1Cl 16577318 IFSQQFNRMGQSIP-NHCUHLMSSA-N 434.761 5.664 0 40 IKAB CCOc1cc(CNCC(C)C)cc(Br)c1OCc1ccccc1Cl 16688651 VELDIWVCSQJSCI-UHFFFAOYSA-N 426.782 5.826 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccc(C)cc2)cc1 16788795 TYVYEJILBGENHY-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 17096180 GTLFMWZHSPNSLD-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB Cc1cc(C)cc(C2(C(=O)N[C@H]3CC[C@]4(CCC(=O)N4)[C@@H](c4ccccc4)C3)CCCC2)c1 19740295 XSLSFLOGCYIGIN-FVVBACEJSA-N 444.619 5.217 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 20047065 VHMDUHCZEUDFHG-FQEVSTJZSA-N 444.575 6.259 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 20139908 UDMSQZBYSGUBLG-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2Cl)o1)Nc1cc(C(=O)O)c(Cl)cc1Cl 20150964 ZQAPJKMXTWHELW-SOFGYWHQSA-N 436.678 6.257 0 40 IKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)c(Cl)c2)=NC12CCCCC2 20152229 FZKFGWZZTYUUKD-UHFFFAOYSA-N 435.351 6.065 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)sc2c1 20412383 DFUXXXYUZYWMNZ-UHFFFAOYSA-N 447.299 5.902 0 40 IKAB CN(Cc1cccs1)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 22133118 BKWBCHOGUAJPCL-UHFFFAOYSA-N 439.920 5.212 0 40 IKAB O=C(Nc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)s1)C1CCOCC1 23271142 DGZHDMFTTJLXAB-UHFFFAOYSA-N 433.360 6.149 0 40 IKAB CSc1nc2ccc(NC(=O)c3c(C)nc(-c4cccs4)nc3SC)cc2s1 24991739 NMENGWQLJWUZOF-UHFFFAOYSA-N 444.632 5.819 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(-c3ccc(C(C)=O)cc3)o2)N2CCCCC2)cc1 27667540 TXXMLJZSLPPLCE-XMMPIXPASA-N 446.547 5.115 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc(-c3ccccc3)nc2C)sc2c1CCCC2 28540187 WQPCIGWFAGUNPH-UHFFFAOYSA-N 426.563 5.488 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32111974 BYCJZJGDMQCAPG-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB O=C(Oc1ccc(Cl)c2cccnc12)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 32666038 UNAOSFZEUZQDSC-ILGMOKPNSA-N 438.955 5.001 0 40 IKAB O=C(NCc1cnn(-c2ccccc2)c1)c1ccccc1CSc1nc2ccccc2o1 32904586 HFVOFVLNTNMIMO-UHFFFAOYSA-N 440.528 5.236 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(F)c(F)c2)o1 36352222 BYLQPDGGNYPKOA-RXVVDRJESA-N 445.263 5.871 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n(C(C)C)c(=O)c2c1C 36636650 DNPJSQRUUWFKIJ-BBRMVZONSA-N 441.622 5.114 0 40 IKAB COc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 37243330 FPVFEIBTNZKHAV-RBKPBRHPSA-N 433.592 5.727 0 40 IKAB biogenic O=C(N[C@H](Cc1ccccc1)C(=O)Nc1ccc(F)cc1F)c1ccc(Cl)cc1Cl 40040325 HFZKEQWOIGPSBO-HXUWFJFHSA-N 449.284 5.251 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078709 BKKBKLHRKYEFAH-UHFFFAOYSA-N 434.923 5.502 0 40 IKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(OCc2cscn2)c(OC)c1 58135480 GHFVPNHSFMTSCF-YADHBBJMSA-N 436.577 5.529 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58208769 AWJKEZLPJAPKJZ-LDCALFFHSA-N 430.592 5.239 0 40 IKAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72214528 FCUDVJIKRNRAOO-FQEVSTJZSA-N 425.529 5.317 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229979 YIPJQKFTAYGEKA-HXUWFJFHSA-N 446.728 5.445 0 40 IKAB O=C(O)CC[C@@H](C(=O)O)[C@H](Nc1ccc(F)cc1)c1ccc(OCc2ccccc2)cc1 77292478 WLAMIMDXLOJKMS-ISKFKSNPSA-N 437.467 5.124 0 40 IKAB in-vitro O=C(NC(c1ccccc1)c1ccccc1)N(Cc1cnc2ccccn12)c1ccccc1 96103004 WMVRRVXZQLRYDK-UHFFFAOYSA-N 432.527 5.840 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c1 96114745 NDIZVGGHJLWZBP-UHFFFAOYSA-N 446.503 5.303 0 40 IKAB biogenic Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@@H]3C2=O)cc1C 100934279 DJOYRLBCLJOQFF-QKDODKLFSA-N 448.522 5.508 0 40 IKAB CCOc1ccccc1[C@@H]1CC2=Nc3ccccc3N[C@@H](c3ccc(OC)cc3)C2=C(O)C1 103890305 PRWUKRXYJYHDLH-GDJIYFAZSA-N 440.543 6.723 0 40 IKAB CC(C)c1ccc(NC(=O)CN(c2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 108026225 OLZWJIWNYZEFJJ-UHFFFAOYSA-N 449.787 5.175 0 40 IKAB 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@@]43C)OCN2C1 118915993 GRMUAQMHJKQVFL-OQJVWNQQSA-N 427.673 5.629 0 40 IKAB CC[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccc(OC)c(OC)c1 218992257 DVBXOZPXKZDQIK-JOCHJYFZSA-N 439.939 5.817 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 222580749 WFEJNSGIIIWHMA-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)c1 222677232 YHLNFDWMKDOOSE-OAQYLSRUSA-N 440.653 5.177 0 40 IKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)c(Cl)c1 222733862 MMNCEIZEXRGUNC-UHFFFAOYSA-N 442.393 5.387 0 40 IKAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc2c(c1)CCCC2 223067122 PJJRWKOZGVVSHL-VWLOTQADSA-N 448.588 5.247 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)CCc2ccc(OC)c(C)c2)c1 223076181 CHSBIKPYNDLLTE-UHFFFAOYSA-N 425.912 6.029 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223270925 GAGLAGRCJCRTRR-QFIPXVFZSA-N 426.626 5.118 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223754196 WCIOTFHBNHQZRV-SFHVURJKSA-N 429.004 5.124 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)cc(C)c1 223777956 FTCMSXOVMUBBNW-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 223872573 CEWYZRWJSNFESR-PKTZIBPZSA-N 447.947 5.878 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 223945654 FQAGALLFDOZWQU-HXUWFJFHSA-N 430.614 5.359 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1NC(=O)C(C)C 224224520 OLKWYWQZQPAOPC-KRWDZBQOSA-N 448.654 5.038 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225155386 QPZCUPKHGUIONR-DEOSSOPVSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225312432 NPXCPGICORRMKL-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225481637 HJAZYLXONVJRML-RDPSFJRHSA-N 438.612 5.085 0 40 IKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCCC3)cc2)C1 225545048 DDLCFBIWMRRYQP-OAQYLSRUSA-N 438.587 5.777 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)c2cccnc12 225877000 XMLCHAKQXBZJFU-UHFFFAOYSA-N 438.955 5.754 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(Cl)cc3)OC2)c2ccccc12 225919399 FACMSGKITLVLRF-UHFFFAOYSA-N 439.939 5.971 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)cc1C 408698296 OVMNPYXXHGNLHR-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccccc2Cl)cc1-c1ccc2ccccc2c1 408726720 SXMUCASIMCMHMW-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1cc(C)ccc1C 408823136 CVIZOMRKAUEBFQ-UHFFFAOYSA-N 440.612 7.150 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1 408982514 YFIRXHOTUHFSAD-QFIPXVFZSA-N 442.968 5.005 0 40 IKAB Cc1cccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)c1 409096918 LAQDLTWXFDFMNN-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(Br)c4cccnc34)cc2)cc1 409181320 BBNAYWILQZKZEG-UHFFFAOYSA-N 447.332 6.137 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@H]1CCC2=O 503996189 ZYGWUUXTYQHKMO-HPNOHPCFSA-N 427.629 5.306 0 40 IKAB O=C(CCCc1ccc2nc(O)[nH]c2c1)N[C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F 509947718 WTHYKRDJWHTRGN-SJLPKXTDSA-N 431.458 5.063 0 40 IKAB COc1ccccc1-c1ccccc1CN1C[C@@H](c2ccc(F)cc2)[C@@]2(CCCC(=O)N2)C1 585261962 QJNUZVUZDXCIMY-LBNVMWSVSA-N 444.550 5.140 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(Cl)cc4Cl)sc3n2)cc1 661490 CUKKPOOQFRGSEE-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c12 1224261 ATBUFLDGFMTRBN-UHFFFAOYSA-N 437.952 5.482 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCC3)cc2c1 1327290 UWNHJOONWCKUOR-UHFFFAOYSA-N 425.916 5.167 0 40 IKAB COc1ccc(CNc2c(-c3cc4cc(C)ccc4[nH]c3=O)nc3ccc(Cl)cn23)cc1 1330280 GMQSDSGHDANBGO-UHFFFAOYSA-N 444.922 5.425 0 40 IKAB COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 1341566 BNEVDPIARGLVPS-VWLOTQADSA-N 446.547 5.121 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1371557 XJIXFDBCPANABB-UHFFFAOYSA-N 425.532 5.688 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(OC)c1 2052142 ISVIRELRRUHTIX-UHFFFAOYSA-N 439.537 5.087 0 40 IKAB Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1C 2093425 NGAOHSLDVGWBLX-UHFFFAOYSA-N 435.980 6.376 0 40 IKAB COC(=O)c1ccc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1 2617368 LYZLZCOUDICMLX-UHFFFAOYSA-N 437.471 5.291 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1-c1nc2ccccc2s1 3241274 ULCIYUSELBSYPE-SANMLTNESA-N 449.531 6.744 0 40 IKAB Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1C1CCCCC1 3301224 AARZTTBQBILSOF-UHFFFAOYSA-N 436.383 7.189 0 40 IKAB CC(C)c1ccccc1N(C(=O)C(C)(C)Oc1ccc(Cl)cc1)C1=NCCCS1 3350807 TZWXEGKZTRPHLB-UHFFFAOYSA-N 431.001 6.147 0 40 IKAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1 3383492 QZFGIHPNARCQKG-GOSISDBHSA-N 448.588 5.376 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1ccc(Br)cc1 3655932 SWXAYJLOFUUKBU-UHFFFAOYSA-N 439.353 5.806 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)NCCC1=CCCCC1 4827746 JRMLCQBAZOJNJB-AREMUKBSSA-N 427.548 5.028 0 40 IKAB CCOc1ccc(O)c(C(=O)CCCCCCCC(=O)c2cc(OCC)ccc2O)c1 5953527 LOXAUEJGCFGHRL-UHFFFAOYSA-N 428.525 5.692 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2cccc(OC)c2)on1 8592823 BHJXIOQSTPBXGC-UHFFFAOYSA-N 448.500 5.508 0 40 IKAB COc1ccc(OC)c2c(O)c(CN(Cc3ccccc3)Cc3ccccc3)c(C)nc12 8717960 DEYIDFCALLQFKK-UHFFFAOYSA-N 428.532 5.468 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 8722385 RQAOAQLTXBGWLD-DGIBIBHMSA-N 433.360 6.294 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1 8755023 ISULESJUMJIDKI-LJQANCHMSA-N 445.950 5.598 0 40 IKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 8755551 UIHMFCPTXSAILW-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)C)cc2)cc1 8763596 WFMOGQHPUBZYPQ-IGKIAQTJSA-N 428.532 6.070 0 40 IKAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@@H](c3ccccc3)C[C@H]12 8773759 XIEPITOOPZYXGG-UTKZUKDTSA-N 438.365 5.066 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1cccc(O)c1 8820713 HUUIXIGWBIPGFP-ZDLGFXPLSA-N 432.284 6.200 0 40 IKAB CCCOc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 8830805 KLBYSJFHEWRATP-UHFFFAOYSA-N 443.330 6.287 0 40 IKAB aggregator Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@@H]2C)c(C)n1C1CC1 8887720 IGQQOBMBDOMQHO-KSFYIVLOSA-N 449.624 5.820 0 40 IKAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9428548 AGBTUJNDGIXAFI-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(C)cc1 9434773 YNFKTIVFADBDMT-UHFFFAOYSA-N 432.545 5.426 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2ccc(Cl)cc2)sc2c1CCCCC2 9444089 AUBQXDFDOTWPTE-ZDUSSCGKSA-N 438.014 5.966 0 40 IKAB CN(Cc1ccc2c(c1)OCCO2)C(=O)CCc1c(-c2ccc(F)cc2)[nH]c2ccccc12 9446519 GFBWOBNFSPUZEH-UHFFFAOYSA-N 444.506 5.336 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccccc1 9599197 UANAUWYANMAMEM-UHFFFAOYSA-N 425.985 5.964 0 40 IKAB COc1cccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2F)c1 9761127 KNMDMELQWCGWHI-QFIPXVFZSA-N 425.301 5.953 0 40 IKAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccc(-c2nc3ccccc3s2)o1 9870783 BXXKCGRFKQMHBI-UHFFFAOYSA-N 437.546 5.205 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C(C)C)cc2C)cc1 10314753 STANYOVWDGGTKC-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 10363706 GXWKKFCRNOKEJG-OAQYLSRUSA-N 441.575 5.416 0 40 IKAB CCCCN1C(=O)c2cccc3c(NC(=O)Cc4ccc(SC(C)C)cc4)ccc1c23 12071105 FAXVIETZQSJHCI-UHFFFAOYSA-N 432.589 6.282 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1 12600009 KRQUMOUOMNYOPS-MRXNPFEDSA-N 426.310 5.956 0 40 IKAB CO[C@@H]1C=C2CC[C@H]3[C@@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 12659645 BNOQCYMVNKKTQV-LDQMMROCSA-N 430.658 5.221 0 40 IKAB biogenic O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccccc2Cl)no1 12879493 GJMISOLUXOTRNX-UHFFFAOYSA-N 438.871 5.016 0 40 IKAB COc1ccc(-c2nc(SCC(=O)OC(C)C)c3c4c(sc3n2)CCCC4)cc1 12881794 BLEMSDWGRWYPHA-UHFFFAOYSA-N 428.579 5.289 0 40 IKAB O=C(CN(Cc1cccs1)C[C@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1Cl 12913052 WNQQHNWRMMSTIL-CQSZACIVSA-N 432.895 5.040 0 40 IKAB Cc1cc(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c(C)n1Cc1ccco1 13114809 WVEBSIFPOASVIQ-UHFFFAOYSA-N 428.488 5.260 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687597 UFZKTSFOJHMZAV-UHFFFAOYSA-N 443.930 6.750 0 40 IKAB Cc1ccc(C)c(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 13710646 HBSMJRXZOPGYHT-HSZRJFAPSA-N 428.576 5.005 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2Cl)c(C)c1 14154305 DAMRKZKPNJLURW-UHFFFAOYSA-N 447.000 5.378 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)Cc2cccs2)[C@H]1c1ccc(OC)c(OC)c1 14608114 ZJXIWTDAXPDAQE-DEOSSOPVSA-N 447.560 5.434 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2c(C)cccc2C)CC(=O)N1c1ccc(Cl)cc1 15412477 XUQMYZBMXKTZAA-WFTVZMDTSA-N 444.962 5.809 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1cccc2c(Cl)cccc12 16347640 RJFFQMWCGVXDAT-UHFFFAOYSA-N 433.924 5.529 0 40 IKAB FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2ccc(Cl)c(Cl)c2)c1 16399445 CXCPRDUADDCIAO-UHFFFAOYSA-N 441.200 5.826 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2)cc1 16788726 ZUMZNYGGUJDNQB-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4)c3N2)cc1 18210275 KBBWNUBRZHPWHK-ZWKOTPCHSA-N 434.849 5.758 0 40 IKAB Cc1cc2nc(C3CCN(C(=O)c4ccc5oc(C)cc5c4)CC3)cc(C(F)(F)F)n2n1 19129143 GGGZFJGPMLIPIA-UHFFFAOYSA-N 442.441 5.131 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC)cc3OC)nc3ccccc23)c1 19640558 IXYJQUYUDVYBRS-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19643129 XVOBRQJJIKPLBH-UHFFFAOYSA-N 445.396 7.001 0 40 IKAB CCN(C(=O)c1ccccc1)[C@@H]1CCO[C@H](c2ccc(C(=O)Nc3ncccc3C)cc2)C1 19712685 FQALMZMFWACAPW-RPWUZVMVSA-N 443.547 5.025 0 40 IKAB Cc1ccccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccc(Cl)cc1 20448462 YZZVRMOYTGETHA-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1cccnc1Cl 20722143 ZZMUREVYVPPFGD-UHFFFAOYSA-N 434.879 5.088 0 40 IKAB O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20723719 APLMVDRHUZHTOY-XMMPIXPASA-N 426.516 5.083 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N1CCC[C@@H]1c1cccs1 21847509 ZJLDFVULOTZXJB-QGZVFWFLSA-N 442.610 5.561 0 40 IKAB CCCC[C@H](CC)COP(=O)(CC(=O)N(C(C)C)C(C)C)OC[C@H](CC)CCCC 25630337 PMVZQRVSGKUIPE-ONCRSHKTSA-N 447.641 7.291 0 40 IKAB CCSc1ccccc1C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(F)cc2)cs1 32615934 AYGSETQADQZVDE-UHFFFAOYSA-N 438.553 5.808 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCc1ccccc1 33773306 VVGFKTSRAAVQLG-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl 35047587 KBOJCECEPHHEFJ-QKCSRTOESA-N 436.638 5.312 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 35269544 VTHIYEAMLAYYRS-UHFFFAOYSA-N 434.879 5.182 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834717 VEEOIWZURHDLMW-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB CC(C)CN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72214598 ZFYMXJDKVGKFPI-UHFFFAOYSA-N 449.592 5.357 0 40 IKAB CC(=O)N(c1ccc(C)cc1)c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1 95369299 NYTYGHVYQBPWGU-UHFFFAOYSA-N 441.600 6.358 0 40 IKAB Cc1ccc(N2CCCCN(c3ccc(C)cc3)/C(c3ccccc3)=C/2c2ccccc2)cc1 104222386 GAIKNYDMEFEFMM-QNEJGDQOSA-N 444.622 7.936 0 40 IKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N(Cc1ccccc1)Cc1ccccc1 219836681 RAQGXLQZIKWHGZ-UHFFFAOYSA-N 441.958 6.762 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220434217 QLXYCFUMZLBQGD-AWEZNQCLSA-N 443.396 5.218 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223721616 SGCIWRPVKMUTPT-SFHVURJKSA-N 445.028 5.298 0 40 IKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC2CCCC2)c1 223806791 NCKZJZLPWMEWCN-JOCHJYFZSA-N 442.603 5.557 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)cc1 224330012 FMSKVNOEXRATMP-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc2ccccc2c1 224645572 WDTNAWDIDNPEER-UHFFFAOYSA-N 441.527 5.756 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(Cl)cc1 224713020 FDAVSXVTIIFUKZ-UHFFFAOYSA-N 430.013 6.023 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224817944 WOOFBLFWRUIKDQ-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 224939641 NNSWUIHKSMXIHZ-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(I)c1 225022427 JPRIEDYUKNDYEL-UHFFFAOYSA-N 439.602 5.524 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1Cl 225029540 PDVZODGVPSPSEB-XZOQPEGZSA-N 437.996 6.219 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 225199922 XIVNIUQIXVDEHZ-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB Fc1cccc(Cl)c1CSCCNC(=S)Nc1ccc(Br)cc1 225367306 WHJIRYMZWQIBKU-UHFFFAOYSA-N 433.799 5.461 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(C(=O)N3CCCCC3)cc1)CC(C)(C)O2 225676147 SRKPNOPYARHWEO-OAQYLSRUSA-N 437.609 5.210 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3cccc(Cl)c3)no2)c1 225729391 FIYKUMNVJZGDFV-MRXNPFEDSA-N 427.932 5.248 0 40 IKAB CC(C)[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257238525 HLLKSSRBTWUNBU-DFFQVNEFSA-N 442.983 6.414 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCO[C@@H](c4cncc(-c5ccccc5F)n4)C3)oc2c1C 257308061 TVGQJNJXMRENSO-HSZRJFAPSA-N 445.494 5.168 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCc1ccc(F)cc1 257327561 XBVKRTGQIZHKQC-DEOSSOPVSA-N 438.930 5.695 0 40 IKAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Cl)cc1 408562641 RCFAKVNWILZRLU-FLFQWRMESA-N 435.376 5.855 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(OC(C)C)c2)ccc1C 408619859 OABWRGKRRHUOBJ-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 408679843 LYBMSUUYTJHQRU-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cccc(Cl)c2C)c1 408695270 PCAIXDJEZKMPOO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1cc(-c2nc(O)c3c4c(sc3n2)CCCC4)ccc1OCc1cccc(C)c1 408734164 FAOIWQLCBJSTTJ-UHFFFAOYSA-N 446.572 6.229 0 40 IKAB CN(C(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1)c1ccccc1 408978809 KJMYVOPSHNFQLN-UHFFFAOYSA-N 426.501 5.983 0 40 IKAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)c(Cl)cc3Cl)CC2)cc1 409024508 ZPOWFDKAWLVMEF-UHFFFAOYSA-N 425.743 5.446 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409176639 UBQFLRLOJXJNIK-WPFQWDPVSA-N 442.990 7.197 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(Cl)cc3)n2C)cc1C 409204763 KAJLKTGNWUUAKI-RFBIWTDZSA-N 432.976 6.432 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)O[C@@H](C)CC)C1=O 409209380 GLJKAXLDEYQYHX-HYTQYMIGSA-N 427.522 5.007 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCC 409372268 PXJITADBDBSMDN-UHFFFAOYSA-N 446.263 5.908 0 40 IKAB C[C@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc([S@@](C)=O)cc1 535955489 WIHSKDBRAQKUCX-INCQDFKNSA-N 431.479 5.601 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(CC[C@@H](C)c2ccccc2)CC1 585166183 NRQCZAVCTVUCSD-HSZRJFAPSA-N 441.619 5.313 0 40 IKAB CC(C)(C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O)c1ccccc1 686725381 JZKCAYRKIVUZJC-DEOSSOPVSA-N 429.516 5.346 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1F 901194 XMZIZIQMLGUOHC-ZDUSSCGKSA-N 435.446 5.729 0 40 IKAB CN(C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl)C1CCCCC1 1013685 ZMOBOSJCOQJPHY-UHFFFAOYSA-N 442.894 5.535 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cccc(C(F)(F)F)c1)CCC3 1902790 TXVLLTWLRJAREV-UHFFFAOYSA-N 444.493 7.002 0 40 IKAB CCCCCCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)cc2oc1=O 1902816 UOVOKJJLYAQAEL-UHFFFAOYSA-N 428.912 6.185 0 40 IKAB CCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(CC)cc3)c3ccccc3n2)cc1 2079583 IIJTZBWBSFWYOB-UHFFFAOYSA-N 439.511 5.903 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)c1 2079780 LSSVYQKTWLTOAD-UHFFFAOYSA-N 446.934 6.442 0 40 IKAB Cc1ccccc1-n1c(-c2ccccc2)c(-c2ccccc2)n(-c2ccccc2C)c1=S 2180776 DHDJCYCSEIZIGJ-UHFFFAOYSA-N 432.592 7.948 0 40 IKAB CC1(C)Cc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(Cl)cc3)c2CO1 2245119 ZRONQMVZBPZIDZ-UHFFFAOYSA-N 439.968 5.379 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2S(=O)(=O)c1ccc(C)cc1 2350711 XSNZHOFTLCPYOS-UHFFFAOYSA-N 449.644 5.967 0 40 IKAB aggregator Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccn2)cc1 2355556 XQHFHBOUIAEJCK-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB COc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)cc1 2434700 AQQWKHHDTINHPG-UHFFFAOYSA-N 448.548 5.306 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2OC)nnc1-c1ccc(C(C)(C)C)cc1 2450011 XCUCIDPXMUOLQS-UHFFFAOYSA-N 438.597 5.310 0 40 IKAB Cc1cccc(N2CCN(c3cc(Sc4ccc5ccccc5c4)nc(N)n3)CC2)c1C 2576497 SNQKVROBPXJULQ-UHFFFAOYSA-N 441.604 5.307 0 40 IKAB CC[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12)c1ccccc1 2769298 VQLBGKDVVGZOMJ-QFIPXVFZSA-N 445.360 6.545 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3033265 GDDBIAMMAITFEM-UHFFFAOYSA-N 426.545 5.499 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCC2)Nc1cc(Cl)cc(Cl)c1 3216980 CWEDNLPYXWSTRS-UHFFFAOYSA-N 429.303 5.216 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ccc(OC(F)F)cc3)s2)cc1C 3283949 NJUPSIADSDNUFN-UHFFFAOYSA-N 436.509 5.231 0 40 IKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)c4ccc(Cl)cc4)oc4ccccc34)c(C)c2c1 3655594 PFBNQECHCTWMDM-UHFFFAOYSA-N 443.886 6.933 0 40 IKAB c1ccc(C2=N[C@@](CCN3CCCCC3)(c3ccccc3)S[C@H]2CN2CCCCC2)cc1 5496354 SMXZOBMDDWDWME-XTEPFMGCSA-N 447.692 5.806 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)cc2)cc1 7059319 JGWUMCCSTANKIJ-QFIPXVFZSA-N 435.321 5.449 0 40 IKAB CCOC(C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C)(c1ccccc1)c1ccccc1 8012819 VYTJOCRXZMGGAZ-DEOSSOPVSA-N 427.548 5.357 0 40 IKAB O=C(Oc1ccc(Sc2ccc(OC(=O)C3CCCCC3)cc2)cc1)C1CCCCC1 8453362 GGMAUJDGFIWMSH-UHFFFAOYSA-N 438.589 6.809 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1c(Cl)cccc1Cl)c1ccco1 8752624 PUYPUAQIATZUAO-UHFFFAOYSA-N 428.319 5.347 0 40 IKAB COC(=O)c1ccc(Sc2ccccc2NC(=O)c2cccc(Cl)c2Cl)nc1 8782064 HZBCUSOQUPXEGQ-UHFFFAOYSA-N 433.316 5.579 0 40 IKAB Cc1ccc(OCC(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 8831825 BVGZPRRRPOUSFH-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 8893153 YQTIGOLFDKSZJK-KRWDZBQOSA-N 441.560 5.461 0 40 IKAB COc1cccc(-c2nnc(S[C@H](C(=O)Nc3ccc(C)cc3)c3ccccc3)n2C)c1 8938251 BHDYBSGTBFWBQG-QFIPXVFZSA-N 444.560 5.271 0 40 IKAB Cn1c(NC(=O)C2CCCCC2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9187828 CANUVCAZERXOTL-UHFFFAOYSA-N 428.454 5.743 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 9413899 WOTNCDDOEBQYPQ-UHFFFAOYSA-N 438.842 5.495 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc(-c2ccccc2)[nH]1 9619735 WCIGATJNQZHVNV-UHFFFAOYSA-N 438.940 5.136 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2cc(OCc3ccc(F)cc3Cl)c(Cl)cc12 11866684 XIPWATJKEYPZLA-UHFFFAOYSA-N 443.301 6.717 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)COc2ccc(Br)cc2)cc1 11916257 OKKSHNUOBZTJRG-UHFFFAOYSA-N 432.339 5.131 0 40 IKAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(NC(=O)c3ccc(F)cc3)ccc21 12323873 VVBJASVWLCPPCU-UHFFFAOYSA-N 435.528 5.147 0 40 IKAB C[C@H](c1ccco1)N(C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccccn1 12490724 KEZXPMARGGPJFN-QGZVFWFLSA-N 436.433 6.768 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2c2ccccc2)cc1 12558290 XLGDOQGJFPINEW-SANMLTNESA-N 430.511 6.488 0 40 IKAB Cc1nc(C(=O)N(CCc2cccs2)Cc2cccs2)nn1-c1ccc(Cl)cc1 12567876 LIBXGFWVUHNCOK-UHFFFAOYSA-N 442.997 5.237 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(Nc2ccccc2OC)s1 12590929 AIYFCLDSSHGCMF-CABCVRRESA-N 442.610 5.923 0 40 IKAB O=P1(Nc2cccc(C(F)(F)F)c2)C=C(c2ccccc2)SC(c2ccccc2)=C1 12618515 YCJABORLYNQULJ-UHFFFAOYSA-N 443.430 8.139 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)NCC1CCCCC1 12634131 QYUGIRUOCXXQIX-UHFFFAOYSA-N 432.659 5.224 0 40 IKAB COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)C1(c2ccc(Cl)cc2)CCCC1 12857144 LZJKHOUHSRSZNT-UHFFFAOYSA-N 447.922 6.002 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)c3ccccc3n2)cc1OC 13004214 ZGXYQIGRCUWYMZ-INIZCTEOSA-N 444.453 5.334 0 40 IKAB Cc1cccc(C)c1-n1c(SCc2cn3cc(Cl)ccc3n2)nc2ccccc2c1=O 13109947 OCXTTXGFILTDSA-UHFFFAOYSA-N 446.963 5.596 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 13117933 VPFYLLBIDKHFQV-HXUWFJFHSA-N 444.556 5.554 0 40 IKAB CC(C)c1ccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 13631171 VTEIUUMKPHGZPD-HXUWFJFHSA-N 430.548 5.787 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)c1ccccc1CCc1ccccc1 13684995 WYWSIWCIPBIXLP-UHFFFAOYSA-N 435.527 5.049 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 13858069 DADZMEGPNJPHAR-LJAQVGFWSA-N 441.571 5.545 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1C 13936239 XKMTWRQIKMEDKK-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc(-c4ccccc4Br)o3)n2)cc1 14250786 NAYUEALBBBLZLO-UHFFFAOYSA-N 443.326 5.404 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 14270703 JCJHCUVIXCKDRZ-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB COc1cc(CN(CC(=O)Nc2cccc(Cl)c2Cl)C2CC2)ccc1OC(F)F 15036259 DTVBFXZSEMPZLN-UHFFFAOYSA-N 445.293 5.207 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 17094681 ISZQPHBWXPGCCL-UHFFFAOYSA-N 425.941 5.215 0 40 IKAB COc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17095205 WSFHMAVZNAEOPO-ZRDIBKRKSA-N 426.925 5.443 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3cccc(C)c3)c2c1 17135407 GBVCDTWNBYAHOP-UHFFFAOYSA-N 444.604 5.630 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2ccccc2)C1 19636959 ZJXIRMVKFWGAQH-HNNXBMFYSA-N 442.581 5.345 0 40 IKAB COc1ccc(C(=O)O)cc1NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 20150930 OJVZCUAEIJIGQO-JXMROGBWSA-N 432.259 5.612 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 20611192 CGASWLWMGHEAOM-UHFFFAOYSA-N 425.319 5.850 0 40 IKAB CC[C@@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255841 KFTJMFIXOPXCLI-FYYLOGMGSA-N 446.595 5.397 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 22274941 RMOMWMFWKNYKOX-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C(CSc1nnc(NC2CC2)s1)N1c2ccccc2SC[C@@H]1c1ccccc1 23053680 HMYAWNHMDIVVKF-QGZVFWFLSA-N 440.619 5.085 0 40 IKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(Br)cc1 32604814 BZSIHDWHOAKGRV-UHFFFAOYSA-N 429.170 5.844 0 40 IKAB CC1CCN(C(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)CC1 33525317 GRSVJHWPDYKGEA-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 35396504 XKSWRUYYSKZLQA-RSXGOPAZSA-N 446.978 5.676 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccccc1Cl 40717870 QRWWEVUBWDHONK-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 57472500 LCJKPUHURYGMHG-UHFFFAOYSA-N 429.973 5.135 0 40 IKAB O=C(NCc1cc2ccccc2[nH]1)c1cccnc1Oc1ccc(F)cc1Br 58900586 SWPASTOCBFBJAU-UHFFFAOYSA-N 440.272 5.187 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(C)C)nc2ccsc2c1=O 67209365 OICLUMTXOCFIBB-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)CCC5)nccn3n2)cc1 67290585 SKQKRTVVGQIGLM-UHFFFAOYSA-N 444.560 5.015 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 72332615 OOEJEUARCWJDAD-JTHBVZDNSA-N 443.305 6.383 0 40 IKAB Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@H]1Cc2ccccc2S1 84219734 XGSFEAGGDWQRHR-HSZRJFAPSA-N 445.563 6.387 0 40 IKAB O=C(NC[C@H](Cc1ccccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749328 FVEADEHWLHODKZ-KRWDZBQOSA-N 435.907 5.122 0 40 IKAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 98072705 QOYYXWZPMZEOMT-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB O=C(Oc1cccc2ccccc12)[C@@H]1[C@@H](C(=O)Oc2cccc3ccccc23)[C@H]2C=C[C@H]1C2 100026382 XPWPZXGCDIIACE-YDNHHRFVSA-N 434.491 5.942 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(F)cc1 102481048 CUXOBOVWMVSPFU-WTYVLRPYSA-N 440.518 6.786 0 40 IKAB CCCOc1ccc(N2C[C@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 103717689 VYGDHRBBMITYPW-CYBMUJFWSA-N 440.849 5.139 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)cc1C 107599018 OGALXWXPARAQGR-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118916589 WHMGDIMLSAAHJQ-MSZUPSMGSA-N 444.700 8.179 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)cc1C 223313061 LIBAQTBZBMOBRZ-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 223746977 LEKMTUBYWADFIR-ROUUACIJSA-N 446.395 5.091 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 223853927 RYVVUFMWKCENFY-DNQXCXABSA-N 432.593 5.498 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224245216 KVPWJJZKLFWJLD-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224454478 ZNHJFILCGDKNRM-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224553907 HJQYMCWXYTXWQA-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225458867 JUTWPPYENHSKQY-UTKZUKDTSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225614960 QHRDLHCLBQYWTG-LAUBAEHRSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225749204 MDARGYDNJSGPDS-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC 225753502 KKYDYCSIWPCNNZ-UHFFFAOYSA-N 425.525 5.111 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1OCC 225854672 QHZSLWNTQXMHLG-CQSZACIVSA-N 425.953 5.387 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2F)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363677 VSRKBGCDEQNRLE-SDNWHVSQSA-N 447.918 7.582 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@@H]12 253505686 ZVBBVQAJSUFYKD-JKBVASRTSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro Cc1noc(C)c1CCC(=O)N1CCC[C@]12CO[C@@H](c1ccc(F)cc1)[C@H](C(C)C)C2 257218638 DDXWYFBMBBEVBL-HVCNVCAESA-N 428.548 5.158 0 40 IKAB C[C@H]1C[C@@H](C)[C@@H](C)[C@@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@H]12 257346835 APXOQDSIAUQKAU-OGXDJTNPSA-N 426.729 7.881 0 40 IKAB COc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408558821 WFJHECGSFZDTQB-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1cc(Br)ccc1NCc1ccc(OCc2ccc(F)cc2)c(Cl)c1 408610957 PFBVCSAEWCXVDQ-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1Cl 408642523 NBPJPFQBALSOJC-IBGZPJMESA-N 448.950 6.049 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)cc1 408695641 RTLJLZQIKAQOGW-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB S=C(N=c1cc[nH]cc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 408735324 MXAYPHXJBNFLEY-UHFFFAOYSA-N 433.540 5.590 0 40 IKAB CCCN(Cc1ccccc1)C(=O)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408976354 FKPPYRPRYZZJLA-UHFFFAOYSA-N 437.499 6.202 0 40 IKAB Cc1cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)ccc1Br 408995226 AZOUMUWTORBNAW-HSZRJFAPSA-N 449.392 6.826 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)C1=O 409064550 CWNCSROQMDELQY-STZFKDTASA-N 445.968 6.154 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@H]3C)nnc2-c2ccccc2)cc1 409093826 AOWDRLKLCZKCOC-KDURUIRLSA-N 434.609 5.378 0 40 IKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2ccc(F)c(Cl)c2)C1=O 409224642 LMHJFZPXNXPXPN-BUHHDHKDSA-N 430.888 5.100 0 40 IKAB Fc1ccccc1O[C@@H]1COC2(CCN(Cc3cccc(OCc4ccccn4)c3)CC2)C1 1848352715 YRBUVBOUDLJKEU-DEOSSOPVSA-N 448.538 5.002 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)Oc3ccccc3)c2)cc1 713016 LBNHANMHNYISOF-MRXNPFEDSA-N 438.911 5.397 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc(Br)c1 865351 FGWPPRNHPLWGRO-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Cc1cc(Oc2coc3cc(O[C@@H](C)C(=O)OC(C)C)ccc3c2=O)cc(C)c1Cl 950741 YXCLQKNOAMHKLS-HNNXBMFYSA-N 430.884 5.574 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)Nc3cccc(-c4cnc5ccccc5n4)c3)cc2)c1 1868241 DCKWZRBEYYCDHM-UHFFFAOYSA-N 445.522 6.437 0 40 IKAB C[C@H]1CCCc2sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c3c21 2293644 HKVONZJQCHGVRA-KRWDZBQOSA-N 432.614 6.222 0 40 IKAB Cc1ccc(Cl)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(F)cc1 2366654 LVHLHNOVEZGDSM-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1S(=O)(=O)N1CCCCC1 2656697 VHMXOCUMRUZJIK-UHFFFAOYSA-N 434.561 5.089 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)cc1 2762685 UVPSSDRUHRDBOI-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(C(=O)c2ccccc2)cc1 3204244 QUQYJGQOZIEPOW-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1C[C@@H]1CCCO1 3302755 PDMCPZQDQAYCPZ-AWEZNQCLSA-N 432.895 5.326 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1 4090506 XLSAJCOVZACEET-UHFFFAOYSA-N 445.613 6.388 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 4786538 PRHRNEZNIAQNMJ-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB Cc1nn2c(N3CCN(c4ccccc4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1 5516111 DJUQKWWGLQWWNW-UHFFFAOYSA-N 425.580 5.329 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2Sc2nc3ccccc3[nH]2)cc1 6150609 RKPOBRSALFIAAV-UHFFFAOYSA-N 447.541 5.510 0 40 IKAB Cc1cc(C)c2[nH]c(=O)cc(CSc3nnc(COc4ccc(C(C)(C)C)cc4)o3)c2c1 6300282 ALKXNYLGSKHHHP-UHFFFAOYSA-N 449.576 5.697 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccc(C)cc3C)nc(-c3ccccc3)nc12 6860525 BRJCHZVSLHOCOJ-UHFFFAOYSA-N 427.573 6.207 0 40 IKAB CCCN(CC1CC1)[C@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O 8414700 FMWUSZZVKQEKSI-NRFANRHFSA-N 433.577 5.026 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 8442772 OONMABNCULGBQV-ZBFHGGJFSA-N 435.837 5.153 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(C)c(Cl)c1 8590505 IFQUBOINQMMTLA-UHFFFAOYSA-N 434.923 6.841 0 40 IKAB CC(C)N(C(=O)COc1ccc2ccc(=O)oc2c1)c1ccc(Nc2ccccc2)cc1 8761007 GNPNNYIQWUIYGF-UHFFFAOYSA-N 428.488 5.357 0 40 IKAB CC(C)(C)C(=O)NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12 8924301 HKTJENPPXLYXDH-UHFFFAOYSA-N 431.399 5.852 0 40 IKAB O=C(c1ccc(F)cc1)c1ccc(-c2nc(-c3cccc(O)c3)[nH]c2-c2ccccc2)cc1 8997012 XCRQMDDNFLRJGP-UHFFFAOYSA-N 434.470 6.486 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199595 RUIVCNJAKLNPML-UHFFFAOYSA-N 430.961 5.162 0 40 IKAB COc1ccc([C@H](CNC(=S)Nc2ccc(SC(F)F)cc2)N2CCCC2)cc1 9491230 RWESMSWETBMWNG-IBGZPJMESA-N 437.581 5.133 0 40 IKAB CCCCN1C(=O)CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H]1c1ccc(OC)cc1 9515370 SRMPOIUQSVGZFO-AVRDEDQJSA-N 437.565 5.023 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccccc1Cc1ccccc1 9596751 ZICZKADCNIUAIL-UHFFFAOYSA-N 446.601 5.663 0 40 IKAB CCN(CC)c1ccc(C(=O)OCc2csc(N(C(C)=O)c3cccc(C)c3)n2)cc1 9717127 PTWUKYYBCPXQJN-UHFFFAOYSA-N 437.565 5.339 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1nc(-c2cccs2)c(C(=O)C(F)(F)F)s1 11617473 LQKMPJMJLPNWHO-UHFFFAOYSA-N 446.859 5.288 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc2c1C 11867421 LWUFSOSUEIZANH-UHFFFAOYSA-N 437.923 5.328 0 40 IKAB CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCC1=CCCCC1 12659034 PWPCKRGLIFKYPD-LFYATDHWSA-N 445.688 6.426 0 40 IKAB biogenic CCCN(Cc1nnc(-c2cccs2)o1)C(=O)CCCc1nc2ccccc2s1 12675575 KEHHQEWZDRBDHH-UHFFFAOYSA-N 426.567 5.169 0 40 IKAB Cc1cccnc1-n1c(SCc2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 12782043 UWLYPCLPWCJKSN-UHFFFAOYSA-N 449.486 5.126 0 40 IKAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c1C 12798630 KCHNSDJJNNYDCN-UHFFFAOYSA-N 442.588 5.597 0 40 IKAB COc1ccccc1N1C[C@@H](C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1=O 13109019 JZDVCZDQUAZXEW-KRWDZBQOSA-N 443.528 5.023 0 40 IKAB C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13115193 WDDAJAQMASXEHU-MRVPVSSYSA-N 432.880 5.325 0 40 IKAB COc1ccccc1NS(=O)(=O)c1cc(NC(=O)c2ccc3ccccc3c2)ccc1C 13130471 YXYMPNHMJJOVOL-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB CC1=NC(c2ccccc2)(c2ccccc2)c2c(c(Br)cc3ccccc23)O1 13765084 OKOUWUCRMYYGBD-UHFFFAOYSA-N 428.329 6.705 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 14269542 ACAIKIKNOWETSW-TWSLPJAOSA-N 441.424 5.211 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1OC 14608038 IJVFIZKKGRLDBZ-HSZRJFAPSA-N 433.533 5.044 0 40 IKAB O=C1N(Cc2ccccc2F)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 15081775 UUGFMZOJHUNPJG-UHFFFAOYSA-N 425.459 5.118 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3Cl)oc2c1 16348504 TWPYYFLOWMLHEF-UHFFFAOYSA-N 431.673 6.064 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 16805108 PRAYPTKKIYTKSP-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(CC)ccc4o3)cc2)cc1 17096594 YDWMCEYPUAQZSW-UHFFFAOYSA-N 429.545 5.746 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 17101710 GZYBRJWZSQZIGJ-UHFFFAOYSA-N 437.765 5.662 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccccc2)cc1 17299381 XWDUQLWSEAZFRY-UHFFFAOYSA-N 426.585 7.335 0 40 IKAB Cc1cc(=O)[nH]c(Sc2c(-c3ccccc3Cl)c3ccc(Cl)cc3[nH]c2=O)n1 18114098 LULXDVCKNIDTEZ-UHFFFAOYSA-N 430.316 5.045 0 40 IKAB COc1ccc2cc(CN3CCC[C@@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 19563986 VNGZSACNXGYWPK-SHQCIBLASA-N 443.591 5.113 0 40 IKAB CCc1ccc(Cc2nnc(SCc3ccc(I)cc3)o2)cc1 20197075 MFHKIJLJRCOKOO-UHFFFAOYSA-N 436.318 5.120 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc(OCC)cc(OCC)c3)sc2c1 20411429 FHCAMJCBAKFIAP-UHFFFAOYSA-N 442.537 5.303 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 20634842 FVNHAYIDFBEGMK-MRXNPFEDSA-N 429.911 5.346 0 40 IKAB COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1OCc1ccc(F)cc1 22110065 SUFWSWJPKDOGAN-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB Cc1cc(Nc2ccc(Br)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585632 ALDLZHBGIBFGKU-UHFFFAOYSA-N 447.258 6.230 0 40 IKAB O=C(c1cc(=O)c2ccc(Br)cc2o1)N(Cc1ccco1)Cc1cccs1 27994625 CYKTUDLURNQKKQ-UHFFFAOYSA-N 444.306 5.053 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3c(C)cc(C)cc3C)c2)cc1 30850052 WZKMUEYXKPMFCR-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 32127717 MBRGZCFMJMJONN-UHFFFAOYSA-N 440.377 5.517 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2)CC1 32675931 YQLSUVQLCNXXFG-UHFFFAOYSA-N 439.481 5.377 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1nc(Cl)ccc1Cl 32900591 WFKFZFKNURVCCB-CQSZACIVSA-N 428.319 5.474 0 40 IKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC[C@H](c2nnc3ccccn23)C1 32904367 WDYBHFLFDJIFPD-INIZCTEOSA-N 440.425 5.028 0 40 IKAB COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(Cl)c4)c3c2=O)c1 35400765 FPRMYYWZZRPMKT-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352230 NDOHUDLCAOTDRY-VWNXMTODSA-N 436.964 6.313 0 40 IKAB Cc1occc1-c1nnc(SCCCc2nc(-c3cccc(C(F)(F)F)c3)no2)o1 36661684 VWHKHAAZGBFWNO-UHFFFAOYSA-N 436.415 5.432 0 40 IKAB CCN(CC)CCNc1ncnc2oc(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)c12 44928690 DSHWTEIYZICLBG-UHFFFAOYSA-N 446.551 5.328 0 40 IKAB CC(C)NC(=O)c1ccc(NC(=O)N(Cc2cccc(Br)c2)C(C)C)cc1 58003934 LQWXMOBEMUSVAC-UHFFFAOYSA-N 432.362 5.030 0 40 IKAB O=C(O[C@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1csc(-c2ncccn2)n1 72307974 ZZACNJJOVIEYPP-GFCCVEGCSA-N 433.333 5.079 0 40 IKAB CCc1ccc(N(CC(F)(F)F)C(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 72427537 IKIXKVIHWFRHTO-UHFFFAOYSA-N 447.884 6.691 0 40 IKAB C[C@@H]1CCCN([C@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 102894161 LZWZYLRIDMBKKK-CXAGYDPISA-N 428.945 5.231 0 40 IKAB COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 107043109 DTHDQSXAPOJDJA-UHFFFAOYSA-N 434.280 5.927 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccccc1 222686042 YNUUTWFPPSRHFT-UHFFFAOYSA-N 438.980 5.781 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 222942932 IRSOFOLLBWUMSP-LJQANCHMSA-N 448.588 5.166 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 223085382 GOFWYMMOSIIXQE-RPBOFIJWSA-N 445.636 5.248 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 223211597 BLFBCAOQAUQZOO-LJQANCHMSA-N 436.577 5.158 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 223258880 ZPOMSYMSYOWWQD-QHCPKHFHSA-N 440.653 5.340 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cc(Br)cs2)N1Cc1ccccc1 223370706 KQKADZZBKIELCK-MSOLQXFVSA-N 430.396 5.078 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 223746905 KWYVRBPCIXRANO-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807766 GFMFFRXGFJAQAR-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)C 223964468 GKAAGEYXMPYJDZ-HSZRJFAPSA-N 440.540 5.062 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1C 224097755 QXGKOTKDXNHYKM-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1 224137934 IACTYQONISFKMB-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 224493923 SDDBEEZKFZSHAM-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224644879 KHHTTYIBLRRZKI-NRFANRHFSA-N 438.637 5.343 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225016070 CDGHZFJRXVNEPA-NHCUHLMSSA-N 426.626 5.118 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225650616 UNOIYDUDFHQIND-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225664393 JRHCBICLQWPNQT-GJZUVCINSA-N 430.633 5.646 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 225668571 VKICQQPXOFWEAF-NRFANRHFSA-N 439.943 5.085 0 40 IKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225919959 KQHRWGWENFWYBV-UHFFFAOYSA-N 441.988 5.257 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@H]1CCCC[C@@H]21 245226062 GXAPBFIBEHYHFO-SWYRRKHMSA-N 435.564 5.978 0 40 IKAB CC(C)Cc1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257283256 OXMDAMSIWLVUHO-NRFANRHFSA-N 440.975 5.218 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257328629 XGMBJLRYCOWXBG-OAQYLSRUSA-N 435.430 5.176 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408553751 BPQHRCFMWPTXEA-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc(Br)c1Cl 408647364 XAKDKNPKUSSOLA-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408696402 BAEYKQMWZCUTMV-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C1S/C(=C\c2cc(Cl)cc(Br)c2O)C(=O)N1c1cccc(Cl)c1 408726067 PIMFSCCKKIWZDY-ACAGNQJTSA-N 445.121 5.702 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1[C@@H](C)Oc1ccccc1Cl 409159568 RDCBYXNQSZUUJL-CQSZACIVSA-N 448.951 5.270 0 40 IKAB CCN1C(=O)S/C(=C/c2cccc(OC)c2OCc2ccc(Cl)cc2Cl)C1=O 409349308 PRCKXKBNYBANDF-RQZCQDPDSA-N 438.332 5.637 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)c1 409411344 GOYKGALNGIOAAV-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)c4ccc(Br)o4)ccc3Cl)nc2c1 722600 KDIDZDHJCQTSSK-UHFFFAOYSA-N 431.673 6.064 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1Cl 722728 NFOIOOIWPOBSDP-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB Cc1cc(C)c2cc(C)c(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)nc2c1 932964 JYPGNZRSFHYBSJ-UHFFFAOYSA-N 433.602 6.039 0 40 IKAB Cc1cc2cc(CN(CCc3ccccc3C)C(=O)c3ccc(F)cc3)c(=O)[nH]c2cc1C 1366592 UOBBQJNLQFISMY-UHFFFAOYSA-N 442.534 5.478 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(F)cc1 1369037 INPCWVIZDHNUGY-OALUTQOASA-N 435.465 5.552 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)cc3)sc2c1 1738589 NWZMGEZTKBAHFJ-UHFFFAOYSA-N 448.547 6.755 0 40 IKAB CCCCC(=O)N(c1nc(-c2ccc(Cl)cc2)c(C)s1)c1cccc2ccccc12 2170827 LZCXDNFELKIANO-UHFFFAOYSA-N 434.992 7.780 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)cc1 2210957 OLZIWIMZXFZRMQ-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB COc1ccc([C@H]2N[C@@H](C(=O)O)CS2)cc1COc1c(C)cc(Cl)cc1C(C)C 2260699 YNLQBLLKNVJCCJ-NQIIRXRSSA-N 435.973 5.148 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccccc4Br)o3)c(=O)oc2c1 2275434 PYBTTXHOTGNTEH-UHFFFAOYSA-N 440.297 5.119 0 40 IKAB biogenic CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CC(C)(C)OC3 2297548 FPHZAZAWQNCTMH-UHFFFAOYSA-N 444.622 5.589 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2543360 IZLYDYGHFFYAND-UHFFFAOYSA-N 449.643 6.881 0 40 IKAB Cc1nc(N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)c2oc3ccccc3c2n1 2605690 UHKKLUYEYMGTLP-UHFFFAOYSA-N 449.554 5.837 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 3187187 CDYDMNPTWIGQSN-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccccc1Br 3213983 CRYXKBUKDUZMBA-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Br)cc1Br 3249768 SLFSXNHDWBHAQT-UHFFFAOYSA-N 447.554 5.661 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)cc1 4144587 ZLVMTCRHFCLYIX-UHFFFAOYSA-N 440.399 6.766 0 40 IKAB CC1(C)c2ccc([nH]2)C(C)(C)c2ccc([nH]2)C(C)(C)c2c[nH]cc2C(C)(C)c2ccc1[nH]2 4995699 LSUVAIIQXHNVQV-UHFFFAOYSA-N 428.624 6.616 0 40 IKAB C[C@H](OC(=O)c1cc(-c2cccnc2)nc2ccccc12)C(=O)Nc1ccc2ccccc2c1 8687580 IHIUCLFYIRIBAI-SFHVURJKSA-N 447.494 5.634 0 40 IKAB aggregator O=C(C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1)N1CCCCCC1 8750746 SXCVYXGAYHTHCO-UHFFFAOYSA-N 438.572 5.116 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(F)cc1F 8832249 BITLHNDGSYGUCR-GORDUTHDSA-N 447.073 5.150 0 40 IKAB CCOC(=O)Cn1c(SCc2ccc(F)cc2)nc(-c2ccccc2)c1-c1ccccc1 8857062 AZXQAQXUOLMAIR-UHFFFAOYSA-N 446.547 6.212 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 8871420 QIXXFWIVYKSDBP-SFHVURJKSA-N 431.923 5.267 0 40 IKAB COc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 9209409 SWPZOBJVMLVQAG-GHTZIAJQSA-N 441.350 5.762 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1cccc(Cl)c1 9355036 CPECPBYKIRLAJZ-UHFFFAOYSA-N 443.315 5.323 0 40 IKAB COc1ccc([C@@H]2CCCN2Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c(OC)c1 9579832 BTVAJIARUNZESF-FQEVSTJZSA-N 447.560 5.006 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 9586963 MLZJQIGQAXCGHH-UHFFFAOYSA-N 426.472 5.096 0 40 IKAB COc1ccc(C)cc1CN(C)C(=O)c1sc(COc2ccc(Cl)cc2)nc1C 9918867 SUMAZQMIWXXRHN-UHFFFAOYSA-N 430.957 5.273 0 40 IKAB COc1ccc(-c2coc3c(C)c(OCC(=O)Nc4cc(C)cc(C)c4)ccc3c2=O)cc1 11865157 LWDNZZWPMLOVSJ-UHFFFAOYSA-N 443.499 5.411 0 40 IKAB biogenic COc1ccc(CC(=O)N2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc1OC 12185225 CRXSZYNDLMWFEN-GOSISDBHSA-N 426.538 5.107 0 40 IKAB COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 12193980 RSQJJSXNXBRMGB-LADGPHEKSA-N 439.342 6.553 0 40 IKAB Cc1cccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)c1 12341999 DPPZUUVIAWAFOI-UHFFFAOYSA-N 448.320 5.076 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12657626 GODCGUYMQPRACL-PVVAYIKHSA-N 442.640 5.928 0 40 IKAB biogenic CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c1C 12679588 ZQORVYBWYYFGTB-OAHLLOKOSA-N 447.564 5.272 0 40 IKAB COc1ccc(CSc2nnc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)s2)cc1 12855937 QBBFIZSSDPZFRI-UHFFFAOYSA-N 442.650 6.807 0 40 IKAB CCOC(=O)/C=C/c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 13001297 KEXJJTHKCHXIRC-OBGWFSINSA-N 431.557 5.724 0 40 IKAB CCCOc1ccc(NC(=O)NCC(=O)N[C@H](CCC)c2ccccc2)cc1OCCC 13018878 HTYFBHNVRHPVHV-OAQYLSRUSA-N 441.572 5.043 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13057752 QNTJNBUWKYFDRN-UHFFFAOYSA-N 434.970 5.312 0 40 IKAB CCCCCCn1c(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)nc2ccccc21 13075846 PVKCOKFRMIJKAF-CQSZACIVSA-N 435.515 6.153 0 40 IKAB COc1ccc(-c2nnc(SCCOc3ccccc3)n2-c2ccccc2C(C)C)cc1 13098870 IEGVKEZOVRCSII-UHFFFAOYSA-N 445.588 6.237 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2Oc2ccccc2)c(C)n1C[C@H]1CCCO1 13141835 YYHFTUOOYDGLTC-OAQYLSRUSA-N 433.504 5.116 0 40 IKAB Cc1ccc([C@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@@H](C(C)C)C2)cc1 13555290 HWGMGUWZMIRCFG-DENIHFKCSA-N 434.374 5.243 0 40 IKAB O=C(NC(=S)NNc1c(Cl)cc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 15906003 ZZLPXLDFQYBFPR-UHFFFAOYSA-N 432.804 5.181 0 40 IKAB C[C@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 17987174 RLDHEJRFLYLOHX-AFAVFJNCSA-N 432.303 5.138 0 40 IKAB COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C 19239789 UKAKYRXTUVMUFK-DEOSSOPVSA-N 445.611 5.266 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)cs1 19571791 LFDPTGORKJINSW-JOCHJYFZSA-N 441.560 5.629 0 40 IKAB Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)cc1 19929122 YDSKSBKKTYSZAH-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20141368 MIQMJOSRURXQHK-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c(Cl)c1 20411852 QDDMBKKAEQWXQO-UHFFFAOYSA-N 432.929 5.149 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(F)cccc1Cl 20494601 CJGOCBIKUJKUID-OAQYLSRUSA-N 431.960 5.839 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4ccccc34)cc2Cl)CC1 20528834 NSJUTTLHTYLURQ-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2nccs2)c1 20616533 HMUJGNXAIYMSDD-NMWGTECJSA-N 440.322 5.445 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc(OCc2ccccc2)c1 21580403 STMRYYPIAQPGPR-UHFFFAOYSA-N 449.510 6.070 0 40 IKAB CCN1CCN([C@@H](c2sccc2C)c2c(NC(=O)c3ccco3)sc(C)c2C)CC1 22920970 CREQXPHUTWNMTI-HXUWFJFHSA-N 443.638 5.307 0 40 IKAB CC(C)(C)c1ccc([C@@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 25719539 JZQOEUZYAMGYPE-BWKNWUBXSA-N 449.425 7.597 0 40 IKAB O=C(Nc1cc2ccccc2cc1NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 27521725 WLXKLOJCHPNVPO-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3cccc(Cl)c3Cl)n2)c1 27663846 VQYHCFRKMYLCNG-UHFFFAOYSA-N 438.767 6.290 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1 28206876 KEVSQXBPWRWKAZ-GOSISDBHSA-N 434.561 5.202 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1cccnc1 28343699 IBBVRYSEHHASIJ-UHFFFAOYSA-N 427.451 5.151 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 30945241 YGGWKOAFXHPMOS-HXUWFJFHSA-N 445.994 6.319 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC[C@@H](C)c1nc2ccccc2n1C(F)F 32901027 ABNHTTONWHGSPX-GFCCVEGCSA-N 444.869 5.582 0 40 IKAB O=C1c2ccccc2C(=O)N1c1cccc(C(=O)N(C2CCCCC2)C2CCCCC2)c1 33514982 PGQKEILDKPNMOZ-UHFFFAOYSA-N 430.548 5.595 0 40 IKAB Cc1cc(N[C@H](NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)C(Cl)(Cl)Cl)no1 33678727 YUUIRIHCCSBENU-BPGGGUHBSA-N 426.772 5.278 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1C 33777035 TZWUBTYWUBGQNK-BALBBAFXSA-N 436.621 5.773 0 40 IKAB CCOC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)[C@H](CC)[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 34480424 PRZCLWHVOYRZJL-GAKWKJAJSA-N 446.672 5.801 0 40 IKAB O=Cc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1 34924737 FSKVRLPLFPBUBP-UHFFFAOYSA-N 448.936 5.366 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(c(-c3cccc(F)c3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325671 QKXVDWGCJSSAQB-LJQANCHMSA-N 447.985 7.397 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C 37196634 FFPJTJJSVOFCGY-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB C[C@@H]1C[C@@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 40070971 KKLFOGLZDYVXNE-VGOFRKELSA-N 431.020 5.398 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2ccccc21 41076842 QGFWMVOOYULZQM-UHFFFAOYSA-N 435.980 6.086 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(OCC)c(OCC)c2)sc2c1CCCC2 44843246 NVUMVRBBXRAMNW-UHFFFAOYSA-N 445.581 5.172 0 40 IKAB Cc1cc(C)n(-c2nc3c(Cl)c4sc(-n5nc(C)cc5C)nc4c(Cl)c3s2)n1 45891145 WUGUUTRDDRUHGE-UHFFFAOYSA-N 449.392 5.818 0 40 IKAB CC(C)C[C@@H]1N[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2)Cc2c[nH]c3cccc1c23 49171435 BZNPQJLJARDKRA-SFTDATJTSA-N 429.486 5.105 0 40 IKAB biogenic,in-vitro C=Cc1ccc(CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2cccn3c(C)nnc23)cc1 49405168 AVVMJWDACYHGOM-UHFFFAOYSA-N 446.576 5.200 0 40 IKAB O=C(Oc1ccccc1)N1CCC(CNC(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1 49523060 CQTZRZMWJHOXCV-UHFFFAOYSA-N 440.971 5.179 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1 51353936 LMFPEODIKCFRED-UHFFFAOYSA-N 431.922 5.713 0 40 IKAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317017 PAXIZHSKRHRDCH-UHFFFAOYSA-N 436.305 5.801 0 40 IKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 57987210 FOMCJCKBNXPKDM-URXFXBBRSA-N 446.620 5.244 0 40 IKAB COC(=O)COc1cc(-c2ccc(Cl)cc2)nc2ccc(NC(=O)c3ccccc3)cc12 65034027 PARZWPJLRXDSKK-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4cccc(Cl)c4)no3)c(C)c2c1 71761900 IMDKAULUZHEBPG-UHFFFAOYSA-N 445.928 5.142 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(Cc4ccccc4F)n3)C2)cc1 72349358 JWQSCGGSEHDJJB-JOCHJYFZSA-N 432.539 5.159 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccccc1C 95116675 YBPXRNKREHAKQH-DEOSSOPVSA-N 435.527 5.591 0 40 IKAB COc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 101054915 MXIRVGLZZCTMMC-YXVKNGOVSA-N 433.507 5.119 0 40 IKAB COc1cc(Br)cc2c1O[C@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(Cl)c1 101147937 HSHUEUUUGTWZJD-HNAYVOBHSA-N 437.721 5.189 0 40 IKAB FC(F)(F)[C@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@H]2SC3=C(CCCC3)N21 102197074 LPNUZJDVGVVRFO-NHCUHLMSSA-N 430.499 5.591 0 40 IKAB C[C@H]1CC2=Nc3ccccc3N(C(=O)COc3ccccc3)[C@@H](c3ccco3)C2=C(O)C1 102602380 YRJQLCBYFLJOIC-QLXKLKPCSA-N 428.488 5.761 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 222547135 PZYOOMIMRLALDM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 222876420 XTVXSRHBBHFHIC-UHFFFAOYSA-N 427.375 5.675 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 223074006 MUOIJBNZBHBLAS-FCHUYYIVSA-N 441.984 5.312 0 40 IKAB CCCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C(C)C)ccc21 223118484 VPGLSVCNCYWOOT-UHFFFAOYSA-N 427.570 5.098 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223752820 UGVWLLOTIGUBEB-NRFANRHFSA-N 428.576 5.249 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)c1 224245698 NEUJZRZJRKFZIY-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)c1 224319766 JNZCQFWGFOUZSN-DQEYMECFSA-N 430.621 6.182 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)c(C)c1 224541473 ASNGFLBOXFLETI-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccc(Cl)cc3)c2)cc1 224675500 XEMKRVAKUHBNSD-UHFFFAOYSA-N 441.980 6.682 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224844074 NIXIMCZISRIKHA-SFHVURJKSA-N 444.978 5.278 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225016197 CDGHZFJRXVNEPA-SFTDATJTSA-N 426.626 5.118 0 40 IKAB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccco2)cc1Cl 225120234 GFVJFXXGOSLDJZ-VQTJNVASSA-N 440.956 5.100 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225129535 NENCGCCJRXGPNH-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB Cc1nc(-c2cccc(NC(=S)N[C@@H](CC(=O)O)c3cccc(Cl)c3)c2)cs1 225219243 OLWASQVZYGWCGR-KRWDZBQOSA-N 431.970 5.274 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225477177 GMDUPRLVKLJMIW-BWKNWUBXSA-N 436.640 5.639 0 40 IKAB CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225518031 XGKRCWMRMHVTDA-HHHXNRCGSA-N 442.603 5.129 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 225523858 IUHWBEWVUHDNEF-URXFXBBRSA-N 440.653 5.259 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 225542359 DCVSNWRUHOQRMO-HSZRJFAPSA-N 434.624 5.946 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225663245 PAAXNVCAUBKTLE-VGOFRKELSA-N 432.967 5.134 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 225665924 BKQYHLQMSSXVCR-AUSIDOKSSA-N 442.575 5.050 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 225869111 HFSVUBLZHWPFMZ-WZONZLPQSA-N 425.569 5.398 0 40 IKAB C[C@@]12C[C@H]3[C@H](Cc4ccccc4)N[C@@H]1CCCC[C@@H]2N3C(=O)c1cc2cccc(F)c2[nH]1 257267562 MHVMWTSEUINLJK-VPAAKTDSSA-N 431.555 5.054 0 40 IKAB COc1ccc(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c(OCC(=O)O)c1 257276116 NSKMZQMNMBSUOC-UHFFFAOYSA-N 446.478 5.071 0 40 IKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257296205 RBRZSPSSGSOPBK-QHCPKHFHSA-N 447.022 6.318 0 40 IKAB Cc1noc(C)c1-c1ccc2ccn(CC(=O)NCC3(c4ccc(Cl)cc4)CCC3)c2n1 257325346 WSOIUAPMFLGHLL-UHFFFAOYSA-N 448.954 5.200 0 40 IKAB O=C(O)COc1cc(F)c(F)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 257335976 YMQFXWLAXRFQEK-UHFFFAOYSA-N 438.405 5.146 0 40 IKAB CCc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408667354 VJWSTXDNSBCXCL-FPMFRTRJSA-N 448.349 5.347 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408675882 LNTQJZQNDNYUSP-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 408694741 MFODSTLAJDRGKG-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CC(C)c1ccc(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)cc1 408705728 MGEJJSBMWGYTRA-UHFFFAOYSA-N 443.396 5.302 0 40 IKAB C[C@@H](Nc1ccc2c3c(cccc13)C(=O)N(c1cccc(Cl)c1)C2=O)c1ccccc1 408722953 YGWXFVPBYIRPLS-MRXNPFEDSA-N 426.903 6.467 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1Br 408803882 BFSSKBGBKKDZPY-UHFFFAOYSA-N 438.754 5.183 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)N1 408985371 LPXNOIUJABQUJX-QFIPXVFZSA-N 449.595 5.562 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3cccc(F)c3)C2=O)cc1 409052321 JKNWMYNAJHVWQJ-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409086551 FEEFSGHDGFWUEV-WPUBFDFZSA-N 445.562 6.035 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)c1 409101514 UKUZWUSPVXJMNT-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)c1C 409111489 CLIMUZKZMUNUQU-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(C)C)C3=O)cn(Cc3ccc(F)cc3)c12 409125411 AEBIOQIYBSFBDK-UUYOSTAYSA-N 436.552 6.083 0 40 IKAB CCCCOC(=O)c1cc(NC(=O)CSc2cccc3ccccc23)ccc1Cl 409177759 CSZBBYSARDEBKX-UHFFFAOYSA-N 427.953 6.181 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 409178566 LHZOANFPPUBOLX-GOSISDBHSA-N 440.590 5.224 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)c1ccc(Cl)cc1 409352392 CGJCHYOKCNKPLT-LZYBPNLTSA-N 426.708 5.566 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c(C)c1 409380810 ILITVBZDJNIOSL-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)cc1 409407401 FRBFYFBTRDXOJR-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CCC[C@@H](Cc4ccc5n[nH]cc5c4)C3)c2C)cc1 585294008 HCLOZXRTYNMZLJ-NRFANRHFSA-N 439.559 5.642 0 40 IKAB CC(C)(C)OC(=O)N1CCC([C@H](c2c(F)cccc2Br)n2ccnc2)CC1 725327725 DMJREUQVISNZHS-GOSISDBHSA-N 438.341 5.021 0 40 IKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(C(F)(F)F)cc3)C[C@H]2C[C@@H]1OCC1CC1 2332242819 SKBYNIQHGZTAQY-MQFRRQCYSA-N 433.518 5.089 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 847191 LLWSYKVNWIKUOD-UHFFFAOYSA-N 428.875 6.969 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)cc1F 900862 IIXGKZGFXMCWKY-NSHDSACASA-N 439.409 5.560 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)c1 990104 CODZHMLOJFTAFM-GDLZYMKVSA-N 441.571 5.608 0 40 IKAB CCc1nc(SCC(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2n1 1332562 HMROKRSPIQUEHJ-UHFFFAOYSA-N 429.570 6.114 0 40 IKAB aggregator O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccco1)c1ccccc1F 1341667 TYQCXXVBXCOBAX-QHCPKHFHSA-N 438.474 5.395 0 40 IKAB COc1cccc(Cn2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2=O)c1 1354201 VHCTZGJCWIRMMK-UHFFFAOYSA-N 425.488 5.216 0 40 IKAB O=C(N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccccc1Cl 1436688 TXLDMFOYROGSCL-LJQANCHMSA-N 433.722 5.757 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1ccccc1Cl 1772399 ONVQONBFHIRNNM-UHFFFAOYSA-N 442.854 6.611 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)cc4)c3)nc2c1 1840410 HTQYEGTYWVPFKK-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB Cc1ccc(-c2nc3ccc(C)cc3c(C(=O)OCC(=O)c3ccc(F)cc3)c2C)cc1 2079736 LECAFGZXITYTGL-UHFFFAOYSA-N 427.475 6.006 0 40 IKAB COc1ccc(C(=O)COc2ccc3c(-c4ccc(OC)cc4)cc(=O)oc3c2C)cc1 2119228 RFUUUKWWWBIOOJ-UHFFFAOYSA-N 430.456 5.047 0 40 IKAB biogenic Cc1ccc([C@@H](CCNS(=O)(=O)c2ccc(C)cc2)c2ccc(OC(C)C)cc2)cc1 2320278 HSYGQCPUNBUBRR-AREMUKBSSA-N 437.605 5.591 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cc(C)cc2Cl)cc1 2340904 XAEXVFCSISQNLE-UHFFFAOYSA-N 448.950 5.811 0 40 IKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 2384509 SBVROASOQQIFJD-QABMSTFYSA-N 442.927 6.545 0 40 IKAB Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(Cl)c(Cl)c5)cc4c3c2C)cc1 2430902 QRYBHNOCSFIWON-UHFFFAOYSA-N 434.370 7.486 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)c(Cl)c1 2446274 BIYVQTKUAITGJH-UHFFFAOYSA-N 443.016 5.781 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2cccc(C)c2)cc1 2685415 UYNDATLZZIFGKL-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSc2c(-c3ccccc3)[nH]c3ccccc23)cc1 2718351 BRXFYVAMKYUZNP-UHFFFAOYSA-N 430.529 5.742 0 40 IKAB Cc1ccccc1CSc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2 2720045 UTJTZGANTFGOMB-UHFFFAOYSA-N 445.407 5.244 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 2915344 JYJZEMKRIHSWLE-RPBOFIJWSA-N 440.934 5.761 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4cc5c(cc4s3)OCCO5)cc12 3214373 PFVNYAXDIWIGQP-UHFFFAOYSA-N 448.529 5.029 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2C2CCCC2)CCC4)cc1 3325365 AGXGOBPOHKNVJA-UHFFFAOYSA-N 439.606 5.101 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 3427904 YOEAXJKNRNEFLY-CYBMUJFWSA-N 448.038 5.554 0 40 IKAB CCCCCNC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@@H](C(C)=C[C@@H]1C)[C@H]2C 4024645 BTQCHPRUVKAYMZ-HZONZTAHSA-N 429.557 5.238 0 40 IKAB biogenic COc1ccc(CN(CC[C@H]2CC(C)(C)OC[C@@H]2c2ccccc2)C(C)=O)cc1OC 4616541 KWLNJGMDUQTJML-XZOQPEGZSA-N 425.569 5.041 0 40 IKAB Cc1c(C(=O)c2cccc(Oc3ccccc3)c2)c2ccccn2c1CCc1ccccn1 6182644 HXJQMUNAXFNCBD-UHFFFAOYSA-N 432.523 6.451 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CCc1ccccc1 8387512 ODZBMLRRQVESPX-UHFFFAOYSA-N 439.533 5.180 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1)c1ccco1 8733802 LOJGXEUGQOVRRM-NRFANRHFSA-N 434.542 5.443 0 40 IKAB O=c1c(/C=C\c2nc3ccccc3c(=O)n2-c2ccccc2)coc2ccc(Cl)cc12 8738361 JRIFUPAPIPCTKX-RAXLEYEMSA-N 426.859 5.316 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c(C)c1 8752798 GNSWCLLIYCMDJE-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB CCOc1cc(-c2ccc(O)cc2)c/c(=N\c2ccc(OC)cc2OC)c2c(C)oc(C)c12 8762515 WSHLHLFBFTXGIW-WEMUOSSPSA-N 445.515 6.071 0 40 IKAB biogenic O=C(COc1ccccc1)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 8830897 QBXPBFKRGSLNQC-UHFFFAOYSA-N 436.558 5.485 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCC)c(Cl)c4)cc3n2)cc1 8843194 BZMFESBAQZBFCZ-UHFFFAOYSA-N 436.899 5.124 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(=O)n(Cc5ccccc5)cnc4c23)CO1 8990834 LPJFFTUPCMQJBM-UHFFFAOYSA-N 443.528 5.166 0 40 IKAB Cc1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)c2ccccc2n1C 9076545 VLQYEYDUSZOMOF-FOCLMDBBSA-N 425.919 6.010 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Br)c2)c1 9159536 KVZUUEYMXDWVHI-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c1C 9223305 GTCJOHDQEBHTEE-UHFFFAOYSA-N 440.381 5.331 0 40 IKAB CCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)c1cc(Br)ccc1Cl 9227132 RUWSGWACJPHBOU-UHFFFAOYSA-N 434.721 5.123 0 40 IKAB COc1ccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)cs2)cc1OC 9314371 ASTOKARAFWCDLG-SFHVURJKSA-N 430.595 5.070 0 40 IKAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2cc(Cl)ccc2Cl)cc1 9434635 SEFYCBBENARVOO-MRXNPFEDSA-N 441.380 5.199 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9545790 RIGVNYHOVDVUDJ-KXBFYZLASA-N 444.988 5.027 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 9591339 UAUZIPYFWCKIQY-UHFFFAOYSA-N 443.842 5.676 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1cc(Cl)cc(Cl)c1 9599186 BGAUKMYXFQLUSH-UHFFFAOYSA-N 446.403 6.227 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3CCc4ccccc43)n2C2CCCCC2)cc1 9631719 HZNMBCPBCBIUSS-UHFFFAOYSA-N 448.592 5.140 0 40 IKAB Cc1cc(Cl)cc2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)nc12 10020917 QHJWDEFSYRYNMH-UHFFFAOYSA-N 443.959 6.653 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1 11037593 WYWLRAALQFEWQI-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB Cc1ccc(CSc2nc3c(c(Sc4ccc(Cl)cc4Cl)n2)CCCC3)cc1 12338597 NAYXXUZFJIDDBJ-UHFFFAOYSA-N 447.456 7.414 0 40 IKAB C[C@H]1S[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccccc2)C1=O 12417009 BCXVBOSDFJJECZ-GYCJOSAFSA-N 434.948 5.208 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)Cc2c[nH]c3ccccc23)C2CC2)cc1 12475058 JBCHNYLHGSUKCU-MHZLTWQESA-N 443.591 5.200 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3cc(Br)ccc3Cl)s2)cs1 12782144 RAVSIIWGINAUDF-UHFFFAOYSA-N 427.776 5.526 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2nnc(NC3CC3)s2)c2ccccc2)cc1Cl 13109656 SLHGOAGSUWIIFA-KRWDZBQOSA-N 446.985 5.247 0 40 IKAB COC(=O)c1c(NC(=O)CSc2cc(Cl)ccc2Cl)sc2c1CCCCC2 13134160 KYIWMHWQABXQQF-UHFFFAOYSA-N 444.405 5.841 0 40 IKAB O=C(Nc1c(-c2nc3ccccc3[nH]2)sc(=S)n1-c1ccccc1)c1ccccc1 13220285 POXQBCXFEVHDMD-UHFFFAOYSA-N 428.542 6.064 0 40 IKAB CCc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13498403 FVLZTBKUKSDLIB-AREMUKBSSA-N 446.616 5.686 0 40 IKAB CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccc(F)cc3)c2=O)cc1 15883349 WELBNXLVFAIVMJ-UHFFFAOYSA-N 429.495 5.179 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(Br)cc3)nc2cc1Cl 16284288 KLBDMFUIRVOYIZ-UHFFFAOYSA-N 440.775 5.147 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1sc2ccccc2c1Cl 16525292 XONTZGRIFBZGDH-UHFFFAOYSA-N 438.386 5.945 0 40 IKAB CC1=C[C@@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]21 16607258 SFPYDOIXKBOBNZ-OTUUDDROSA-N 443.543 5.043 0 40 IKAB CCOC(=O)CSc1c(-c2ccccc2)nc2ccc(Cl)cc2c1-c1ccccc1 16682865 GWROGJXCSUSSDB-UHFFFAOYSA-N 433.960 6.877 0 40 IKAB CCCCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccccc2)s1 16752863 GFRRMVDTWUMPJL-SFHVURJKSA-N 449.557 5.287 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 17099300 UXKPQPJNDAGJDY-UHFFFAOYSA-N 434.927 5.432 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 20411293 RCTPTEMURJAUOQ-GOSISDBHSA-N 428.532 7.048 0 40 IKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1nc(-c2c[nH]c3ccccc23)cs1 24619052 RLCHNMXEPNMTLO-UHFFFAOYSA-N 442.500 5.496 0 40 IKAB Cc1cc(Cl)ccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@@H](C)C3 25286622 GNMJEFDZGDXZRL-CQSZACIVSA-N 444.000 5.402 0 40 IKAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1ccccc1I 27279653 OIODPSDXDZGUCE-UHFFFAOYSA-N 447.247 5.262 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 30270623 NBYMVVWVXGLHAZ-OAHLLOKOSA-N 426.438 5.822 0 40 IKAB Cc1cccc(NC(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)c1 33502936 CXIZULRLLGZTJI-PXLXIMEGSA-N 445.519 5.250 0 40 IKAB Cc1ccc(Cn2c(SCc3cccc(C(F)(F)F)c3)nc3ccccc3c2=O)cc1 33627702 JMORLFANZVTEEF-UHFFFAOYSA-N 440.490 6.064 0 40 IKAB Cn1c(COc2ccccc2Cl)nn(CN(C2CC2)[C@@H]2CCc3ccccc32)c1=S 40155476 IBYOHLIBKLQKDG-HXUWFJFHSA-N 441.000 5.293 0 40 IKAB CCc1ccc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)cc1 41089710 RUBYCFJUJQQAFR-UHFFFAOYSA-N 434.521 5.095 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)o2)c1 59179528 VLRGHUIKXAFHQL-UHFFFAOYSA-N 445.972 5.773 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(F)cc2)CO4)cc1 61997638 QQHIKCRPCDBQMO-UHFFFAOYSA-N 431.463 5.268 0 40 IKAB biogenic O=C(c1ccc2nc(C(F)(F)F)[nH]c2c1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 72361053 ZPJHJYJYGURJPX-IBGZPJMESA-N 437.425 5.016 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 96400846 SEHDOBWHDBZZQU-HQQDDLKISA-N 429.470 5.797 0 40 IKAB CC1=C(CC(=O)Nc2ccccn2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101489482 OHQDKMCUFBHAKN-RLFMNYESSA-N 432.520 5.315 0 40 IKAB FC(F)(F)c1cccc(-c2nnc(C34C[C@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)o2)c1 102444045 KXTSFVVLADRLES-CJKMCJCZSA-N 449.864 5.247 0 40 IKAB c1ccc(Cc2cc(Cc3ccccc3)c(Cc3ccccc3)cc2Cc2ccccc2)cc1 105015485 TZKFDCQLDUXMBS-UHFFFAOYSA-N 438.614 8.050 0 40 IKAB COc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 107041788 VTBPPHNEWUPZHW-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 107596738 WQRWXWCIVPWBBR-IBGZPJMESA-N 428.989 5.371 0 40 IKAB CCn1nc(C)c(/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)c1C 118916022 DGHNSOORNPGMCA-YXQDKTGISA-N 426.645 5.278 0 40 IKAB C[C@@H](CCC1=NC(C)(C)CO1)[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 118934404 BVDWBDNAWXKGOG-FTMGDHJDSA-N 445.688 5.601 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219354685 QVKZNUAOMHQPTO-NRFANRHFSA-N 435.911 5.359 0 40 IKAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919006 SJVUPHIYYZPDDL-NRFANRHFSA-N 436.571 5.182 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 223047049 KBZCNGKCNDMTNT-IBGZPJMESA-N 447.044 5.215 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Cl)c4Cl)ccc32)c1 223083378 DOBXZNXCNSBFLJ-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223108865 OZWCUZMAFSQNQU-DNQXCXABSA-N 432.593 5.186 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223135436 XUZBKUCAPXFBJW-OAQYLSRUSA-N 447.044 5.295 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223347893 LXNWZLMATKAUJB-XMMPIXPASA-N 434.967 5.382 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224074364 QTJYMFKUQAEEOX-QFIPXVFZSA-N 449.422 5.302 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224112029 PBVPHXLJLLAREO-QGZVFWFLSA-N 447.406 5.055 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 224191430 LWCWCAXFSSVAQW-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224299415 BEIAWVGCACSBLQ-UHFFFAOYSA-N 441.527 5.409 0 40 IKAB CN(c1ccc(Cl)c(C(=O)Nc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccccc1 224330241 LOVJPWSCBHPRQB-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc(OC)c(C)c1 224593593 SMQRZUBRXYAZCA-DEOSSOPVSA-N 435.589 6.056 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 224595200 FVXYROBVPRNNSE-QHCPKHFHSA-N 426.626 5.057 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224676960 FETCVXUEDIZSRQ-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 224903217 ZLDNWVGGTWAQCY-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB COC(=O)c1ccccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225033036 AGNSAZDGUNEQOU-DHIUTWEWSA-N 447.560 5.043 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3Cl)cc2)c(C)c1 225056069 GWRNCQKMFQQGIC-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1C 225366036 BIGVIGLVESRNFJ-RPWUZVMVSA-N 432.593 5.227 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2C)cc1Cl 225601725 DDISKSHBQZCMLJ-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3cccc(OC)c3)cn2)c2ccc(F)cc21 257237601 HHFSUZPWDDYIEG-HHHXNRCGSA-N 443.566 6.132 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260818242 ZNVFSKBQPGMAOA-JOCHJYFZSA-N 432.649 5.746 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2cccc(C)c2)cc1 408699555 UTVZLSLMVSOOGQ-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)c1ccc(-c2ccccc2)cc1 408714195 KYOMXASXVANZIQ-UHFFFAOYSA-N 425.532 5.973 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)O 408750595 PESIAPJFZBSXRU-HZVDNRATSA-N 436.558 5.050 0 40 IKAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 408750597 PESIAPJFZBSXRU-QPAVJXABSA-N 436.558 5.050 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S1 408810644 JJLMCMLBPGDLDB-UHFFFAOYSA-N 449.527 5.485 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 408912827 RPFJSBFDBVTHSD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3F)cc2)C(=O)N1c1ccccc1Cl 409056062 DRPVCZFCPNZDBB-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1 409098044 JXXLNJWHNWELKJ-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1 409339320 HFPUFRKANNFTCB-VCHYOVAHSA-N 449.359 5.792 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cccc(C)c1)S(=O)(=O)c1ccc(Cl)cc1 409382600 UUNIADNYIXBEAB-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3cncc4ccccc34)ccc21 643570254 UQJYRTRDSYCINW-UHFFFAOYSA-N 443.635 6.677 0 40 IKAB CCc1cc2c(cc1[C@@H](CCc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 668005 KSOYOSMTBNKVPW-RUZDIDTESA-N 429.560 5.443 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)N1CCCc2ccccc21 877987 NOSDLUCVVYGQEX-UHFFFAOYSA-N 429.520 5.507 0 40 IKAB CCOc1ccc2nc(NC(=O)c3sc4nc5ccc(C)cc5cc4c3N)sc2c1 917517 KCWNVIYEFLBOCQ-UHFFFAOYSA-N 434.546 5.601 0 40 IKAB COc1ccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(F)cc3)C2=O)cc1 958073 SVQMKIROTRLQFR-UHFFFAOYSA-N 434.492 5.132 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)c(C)cc3nc2Cl)C(=O)c2cnccn2)cc1 1367790 CMERZYMWBSBYQD-UHFFFAOYSA-N 446.938 5.146 0 40 IKAB O=C(CSc1nc2cc(C(F)(F)F)ccc2n1C1CC1)N1CCc2ccccc2C1 1431660 WVIQNQPHOBYRBC-UHFFFAOYSA-N 431.483 5.067 0 40 IKAB CCCCCCOc1ccc2cc(C(=O)Cc3ccc(Br)cc3)ccc2c1 2049232 QAMNPSCANKMLNS-UHFFFAOYSA-N 425.366 6.987 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1C 2088844 OAOBMFDVBNEGPJ-UHFFFAOYSA-N 442.562 7.038 0 40 IKAB CCCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 2126143 MFFKZXOHRMVYGC-UHFFFAOYSA-N 441.527 6.593 0 40 IKAB biogenic CSc1nc(SCc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CCCC3 2216152 PSUYEAUZIZNBFG-UHFFFAOYSA-N 427.447 6.891 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(C(F)(F)F)c2)cc1 2250269 RNZQNAXGNHPTOX-UHFFFAOYSA-N 446.476 6.952 0 40 IKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(OC)cc1 2399474 PNCAPBMRQSAXGP-OOWIMERYSA-N 438.508 5.902 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 2557433 XUGISPSHIFXEHZ-LQOXIJNNSA-N 428.701 7.960 0 40 IKAB endogenous,in-man c1ccc(-c2csc(Cc3ccc(Cc4nc(-c5ccccc5)cs4)s3)n2)cc1 2666569 MEVDBLBRCGGZDR-UHFFFAOYSA-N 430.623 7.177 0 40 IKAB O=C(CSc1cccc(Cl)c1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 3047532 AIGGAUTXRHTMEU-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB Clc1ccc(Cc2nc(NCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 3063771 PFDYQFHEOYPBCS-UHFFFAOYSA-N 428.750 6.793 0 40 IKAB FC(F)(F)c1cccc(CNc2nc(Cc3ccc(Cl)cc3)nc3ccccc23)c1 3063773 ZRCCLUCMYQOLDR-UHFFFAOYSA-N 427.857 6.505 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 3229352 GHAYSEAAEUYQRF-UHFFFAOYSA-N 449.016 5.589 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3247034 NDDGBVPKUVDLSW-MRXNPFEDSA-N 444.512 5.350 0 40 IKAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccc(F)c(F)c1F 3274952 IINXIYSPQYAAFR-UHFFFAOYSA-N 448.447 5.238 0 40 IKAB C[C@H](Oc1ccc(NC(=O)c2ccccc2)cc1)C(=O)Nc1ccccc1-c1ccccc1 3347813 XRFBZUALQNPGEX-FQEVSTJZSA-N 436.511 6.012 0 40 IKAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 3433722 ZZVUXMAIBYVCIK-SFHVURJKSA-N 444.560 5.274 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 6821471 FMHHFDNLURANAG-ARFHVFGLSA-N 440.897 5.602 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c(OC)c1 8384113 GOPKLWVXNUSALY-UHFFFAOYSA-N 438.936 6.195 0 40 IKAB COc1ccccc1[C@@H]1c2c(-c3ccc(Cl)cc3)n[nH]c2C(=O)N1c1ccc(C)cc1 8595601 NZALAYHRGNGCSX-XMMPIXPASA-N 429.907 5.797 0 40 IKAB aggregator Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2OC32CCN(Cc3ccccc3)CC2)o1 8717720 QLXBVYHRIULSRL-HSZRJFAPSA-N 447.966 5.777 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N(CC(F)(F)F)[C@H](C)C2CC2)cs1 8825781 SLMKOJBTFYXYNO-PLSXKVAHSA-N 437.487 5.030 0 40 IKAB COc1ccccc1-c1nc(C)c(-c2ccc(SCc3ccccc3Cl)nn2)s1 8875919 QHTVPXAINMDFCB-UHFFFAOYSA-N 439.993 6.530 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4F)o2)N3)C1 8920905 RDLMXSYGKOQUHY-JLCFBVMHSA-N 438.568 7.117 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(Br)c3)nnc2-c2ccccc2)cc1 9307531 CSPQMRHTCBRTPV-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB O=C(CSc1cn(Cc2ccccc2Cl)c2ccccc12)N1CCc2ccccc21 9391794 QQTGKELPMUMAMF-UHFFFAOYSA-N 432.976 6.024 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 9409228 KPTWETKKHHTMIL-VWLOTQADSA-N 425.488 5.530 0 40 IKAB O=C(COc1ccc(F)cc1)Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1 9430732 DGCVIACXPJSPEJ-UHFFFAOYSA-N 430.840 5.298 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc(-c4ccc(N(CC)CC)cc4)o3)n2)cc1 9468714 TUNUPZHAGXETOI-UHFFFAOYSA-N 435.553 5.488 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 9491417 YGDMLFCERJQZKZ-UHFFFAOYSA-N 440.886 5.475 0 40 IKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)o1 9500546 NQTRTAFQSDUNDQ-CHWSQXEVSA-N 436.364 5.710 0 40 IKAB COc1ccc([C@@H]2CCCCCN2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 9516822 PIVTVJYJGDLDEM-DEOSSOPVSA-N 449.620 5.759 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 9633280 PVSYANHJXZWPEN-GFCCVEGCSA-N 433.364 5.571 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 9660216 YGMNTGQMNFVECQ-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic O=C(CSc1nnc(NCc2ccccc2)s1)Nc1cc(Cl)ccc1Cl 9663780 AVPRTVABZVXICT-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccccn2)cc1 9679196 LJXLKVHMOQCMFP-QFIPXVFZSA-N 445.320 5.292 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1SCC(=O)N1CCCC1 9683336 LDOIHLYSJVIFDL-UHFFFAOYSA-N 442.890 5.326 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccco2)n1C1CCCCC1)c1ccc(F)cc1 9724044 TWRNYSADMOKXEC-JKSUJKDBSA-N 442.560 5.540 0 40 IKAB COc1ccc(-c2cnc(NCc3ccc(OC)c(OCc4ccccc4)c3)n2C)cc1 9805804 WQRYFKCONMQHIF-UHFFFAOYSA-N 429.520 5.295 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1NS(=O)(=O)c1ccccc1 10314863 BCLNPNSQGZYUBY-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CC(=O)N[C@H](C)CCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 11181418 SEGRHWICPDMIFA-MRXNPFEDSA-N 433.577 5.283 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(C)cc3C)n2)cc1 11916294 CIVIHJYPIFJKCB-UHFFFAOYSA-N 442.382 5.709 0 40 IKAB FC(F)Oc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12285202 XHTIYMJMMBWIKS-IFMALSPDSA-N 426.850 6.184 0 40 IKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539672 LDKLPIXRQCJNTJ-QFIPXVFZSA-N 427.523 5.357 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(SC(F)F)cc2)c(C)cc1Br 12585212 QKMZAMPAIVHSIZ-UHFFFAOYSA-N 432.355 6.111 0 40 IKAB Cc1noc(-c2ccc(C(=O)N(C)Cc3cn(-c4ccccc4)nc3-c3ccccc3)cc2)n1 12915673 KHTJFFNSFZTOPC-UHFFFAOYSA-N 449.514 5.170 0 40 IKAB CSc1ccc(CSc2nc3scc(-c4ccc(F)cc4)c3c(=O)n2C)cc1 13095507 MNUUOPNJEZVOAH-UHFFFAOYSA-N 428.579 5.815 0 40 IKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 13644708 ZVILGAXNYAHJKT-VWLOTQADSA-N 441.575 5.592 0 40 IKAB CCn1c(COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 13842666 FNZNNEFQKXSBLG-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB CN(Cc1cccs1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 14171848 ZWONTFSFRCPMQJ-UHFFFAOYSA-N 428.517 5.073 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3O)nc2c1 14270309 JSYROEXJIVBXRF-UKTHLTGXSA-N 443.528 5.289 0 40 IKAB FC(F)(F)c1cccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccs2)c1 15441359 RFCLUSKAWKCUJV-WEVVVXLNSA-N 443.519 6.820 0 40 IKAB CCc1cccc(N2C(=O)N(Cc3ccccc3Cl)c3ccccc3S2(=O)=O)c1 15827245 WKWQEBOMKKLCQG-UHFFFAOYSA-N 426.925 5.238 0 40 IKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(OC)cc2OC)cc1 15880494 IIOQJJKMXWJXTQ-UHFFFAOYSA-N 433.460 5.387 0 40 IKAB biogenic Cc1c(C(=O)NCCCN2CCCC[C@H]2C)cc(-c2ccccc2)n1-c1ccccc1F 16531713 LPMLINVMCBWOAS-HXUWFJFHSA-N 433.571 5.586 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)OCCOc2ccc(Cl)cc2Cl)no1 17832697 BKBMLDPBRHSHNS-UHFFFAOYSA-N 439.320 5.213 0 40 IKAB CC(C)CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19446645 NLOUZHBDVCTNBO-FDDCHVKYSA-N 434.411 5.504 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 20058989 MFEDTFBAOZQMPM-BXKMTCNYSA-N 441.487 5.221 0 40 IKAB CCOc1ccc(/C=C/C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1OC 20151146 SBCOQYYVORWZHH-VZUCSPMQSA-N 427.884 5.152 0 40 IKAB Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(Cc2ccco2)C3=O)c(O)c1 20868211 NLJXSUCFZCKKFB-HSZRJFAPSA-N 433.895 5.391 0 40 IKAB Cc1cc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2C(C)C)c(C)n1C1CC1 21371571 UGGRPLPOTXYJQY-UHFFFAOYSA-N 429.973 5.359 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n(C[C@H]2CCCO2)c1C 21568064 GGEYCMVUZRFYND-SUMWQHHRSA-N 428.385 5.105 0 40 IKAB COc1cccc(-c2nc(COC(=O)CSc3ccc4c(c3)CCC4)cs2)c1OC 22536422 PTHCBIQZTAJWCY-UHFFFAOYSA-N 441.574 5.152 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 23043479 TUWNHVCJHGYEGG-UHFFFAOYSA-N 448.910 5.087 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)N(C)[C@@H](C)c3ccc(Cl)cc3Cl)cs2)cc1 24459777 KXCBMWZSRJSFFW-HNNXBMFYSA-N 449.403 6.099 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c(C)c1 26090048 ZIOIIQOUKYDDDV-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 26795384 NEWVICPNHKNCGD-RUZDIDTESA-N 434.624 5.658 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)c1 27792541 FDHXXENNNGTWEV-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1ccc(Br)cc1 28284717 SBULVYIYVVHSJM-UHFFFAOYSA-N 431.083 5.165 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539327 KTQCEBXHGZWWIS-UHFFFAOYSA-N 435.914 6.870 0 40 IKAB COc1cc(NC(=O)[C@@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 32721996 BFFCBBGQSLYNDL-CVEARBPZSA-N 426.538 5.235 0 40 IKAB CCc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)cc1 33068286 WUNYESSFACRXOL-UHFFFAOYSA-N 448.910 5.133 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33401723 YBFUENXBWWWAAP-UHFFFAOYSA-N 447.962 6.658 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 33737267 XFNNIJFETKVHRZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)C)cc3)N=C2SC[C@@H]2CCCCO2)cc1 34715062 QVCHORBSQKEPHF-JECJHWOISA-N 434.605 6.164 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 36559060 IVDDGYDRBFYMBD-UHFFFAOYSA-N 447.368 5.896 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1 39738333 SSHZMKOIMDTLHW-CNVABVEPSA-N 446.631 6.541 0 40 IKAB biogenic O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 57313769 LZEPPCLRNBMPIB-DHZHZOJOSA-N 442.437 5.454 0 40 IKAB CC(C)C[C@@H](C)N(C(=O)c1nc(N2CCCC2)ncc1Cl)c1ccc2[nH]ccc2c1 58178564 YNRFCCXYLFWGON-MRXNPFEDSA-N 425.964 5.293 0 40 IKAB O=C(c1cn(CCOc2ccccc2Cl)c2ccc(Br)cc12)C(F)(F)F 59109419 JUVLTZONEYSPIJ-UHFFFAOYSA-N 446.650 5.881 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1cccc(Cl)c1 59418216 ZHJIGDHZGXWOIG-CIAFOILYSA-N 439.895 6.299 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccc(Cl)cc1 67259587 YKEFFUCALCBEMV-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(C)c(Cl)c3)oc12 67295799 HCBWXUPCCIBECY-PNHLSOANSA-N 433.895 5.591 0 40 IKAB CCN(Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 72285475 UCUDLEVPXNFKND-LOSJGSFVSA-N 431.580 5.077 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 96400844 SEHDOBWHDBZZQU-IKZHNLPGSA-N 429.470 5.797 0 40 IKAB Cc1ccc(NCN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3)C2=O)cc1 96562409 PZFCNDBOSZDDGN-HZHRSRAPSA-N 430.529 5.680 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c1 102640728 FRBDFGGZBPEKEX-AZXNSQLWSA-N 428.576 6.244 0 40 IKAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1cccc(Cl)c1C 102907969 LYPHXJWMMRHZFK-KUHUBIRLSA-N 437.721 5.189 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106732541 WGRPOHYBNIDOJG-YQNUULROSA-N 446.366 5.863 0 40 IKAB COc1ccc(NCc2cc(Br)c(OCc3ccccc3F)c(OC)c2)cc1 107042901 TYQOQXZQZXGHQY-UHFFFAOYSA-N 446.316 5.797 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc(Br)c1OC 108016037 AYDILKSMFMAQEI-UHFFFAOYSA-N 442.309 5.901 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914732 SFKSZNDXMPANHH-FRDWVKLBSA-N 444.700 7.030 0 40 IKAB 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@@]43C)OCN2C1 118915991 GRMUAQMHJKQVFL-YKFKSESESA-N 427.673 5.629 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)CC(C)(C)O2 219774287 REJHTELRZXOIOU-QFIPXVFZSA-N 435.951 6.260 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506831 HVYMKZBIFQXDKM-LJQANCHMSA-N 440.968 5.094 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222747483 VMVARPLFKOHGDR-INIZCTEOSA-N 435.395 5.176 0 40 IKAB O=C(Nc1ccc(I)cc1)c1cc2cc3ccccc3nc2s1 223128993 WVNXTNPNVQZXNQ-UHFFFAOYSA-N 430.270 5.306 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223262215 CMIOCGHHDIREKR-RUZDIDTESA-N 436.640 5.773 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 223679315 XQJLNQPTLMMSLS-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 223993230 WRKZVHFIXPEAGY-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 224244261 AIUQGBOFUMKGIY-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)cc1 224499296 IMUPONSHQJMEFP-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(C)c(C)c1 224621767 UHOMWSOTEIIGID-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225055383 XKQDFRZCMZHSLJ-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225491612 NEIFMNJYVREZIU-KKSFZXQISA-N 435.395 5.258 0 40 IKAB Cc1cc(C)cc(C2(C(=O)N3CCC[C@@H](Cc4ccc5cc[nH]c5n4)CC3)CCOCC2)c1 257233145 GOAJHTCXESGUML-JOCHJYFZSA-N 445.607 5.099 0 40 IKAB COc1cc(CNc2ccc(C)cc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408557566 OSRNFYBDZFRLJB-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C(/C(=C/c1ccco1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408564313 VOMPCUPSLISICD-OQKWZONESA-N 426.438 5.188 0 40 IKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Br)c(Cl)c2)cc1OCC 408565844 BHRBMHDIAYVUNF-UXBLZVDNSA-N 438.749 5.942 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408603238 BQIGMOPNGURAJS-UHFFFAOYSA-N 449.691 5.493 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc4ccccc34)C2)c(C)cc1Br 408648993 YZKMCGFFQZPSIC-KRWDZBQOSA-N 437.337 5.211 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccccc1Cl 409110913 ZPUVZUXMOKZKMR-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)c(C(=O)OCC)c1-c1ccccc1 409122206 YQYHGSOCYNDQMX-UHFFFAOYSA-N 441.480 5.160 0 40 IKAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1C 409208283 BVCFRLSAJPLVEK-OAQYLSRUSA-N 448.636 5.162 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409378877 SWNZFKPAGVIUDC-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccccc2Cl)n1 575442855 GRQUKQLIPQFFHT-UHFFFAOYSA-N 448.910 5.729 0 40 IKAB CCN1CCOc2ccccc2CCCCC2(CCN(Cc3cccc(F)c3)CC2)C1=O 643563533 BVXHCLWMIVTUHC-UHFFFAOYSA-N 438.587 5.062 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2ccccc2c1 1615055186 IJXMNPNUJSQEJP-HXOBKFHXSA-N 442.481 5.109 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848355243 ULHSNDAIBITSSF-JOCHJYFZSA-N 445.954 5.157 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccccc1)Nc1ccccc1Cl 900585 RHOVPVAQARWUIK-UHFFFAOYSA-N 434.952 5.378 0 40 IKAB COc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 901218 QYFHCQQIEIHRQJ-ZDUSSCGKSA-N 433.455 5.290 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c1 929822 RLTVUEDNLZBIPN-UHFFFAOYSA-N 434.546 5.048 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 931827 DFKGQVVSUNPZQZ-UHFFFAOYSA-N 427.573 5.544 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327359 ZRSLTAZDVKXMCU-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nc(-c4ccc(C(C)C)cc4)no3)C2)cc1 1360035 YKPTYNNICDABAJ-JOCHJYFZSA-N 433.552 5.207 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1371319 WVHLADDTMASVND-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COc4ccc(C(C)C)c(C)c4)cc3)sc2c1 1770638 BKYRTSUSODSPTO-UHFFFAOYSA-N 430.573 6.721 0 40 IKAB CCCCCOc1ccc(/N=c2\ssc3c2-c2cc(C)c(C)cc2NC3(C)C)cc1 1834440 DXAHVQSRTYYTCF-LCUIJRPUSA-N 438.662 7.555 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1 2347891 GBHRCKDFYSCBDT-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc([C@@H](C)CC)cc2)c2nc3ccccc3nc12 2382980 XKQBPRHPYNRBAN-KRWDZBQOSA-N 444.579 6.262 0 40 IKAB O=c1[nH]c2c(sc3nnc(-c4ccccc4)c(-c4ccccc4)c32)c(=O)n1-c1ccccc1 2578052 YMIXUWBRGHPWPV-UHFFFAOYSA-N 448.507 5.018 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3C)c3ccccc3n2)cc1 2630911 JHHMSBUMZKBPQQ-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1ccc(Cl)cc1C 2889781 OZYAOAXMXCNNRS-UHFFFAOYSA-N 445.924 5.190 0 40 IKAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 3003850 QYIVLHQNRWQVCZ-DEDYPNTBSA-N 447.874 5.221 0 40 IKAB CN(C)c1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 3093626 MRUAHXCZYUISKC-UHFFFAOYSA-N 444.538 6.282 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134462 WMXLABVAYPIWCD-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB O=C(Nc1ccc(OC(F)(F)C(F)F)c(NC(=O)c2cccs2)c1)c1cccs1 3170190 GLLSUBJUKXNOAP-UHFFFAOYSA-N 444.431 5.551 0 40 IKAB CC[C@H](COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 3202705 TWBJPYZUBKVQNU-IEBWSBKVSA-N 439.364 5.595 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ncnc2ccccc12 3288322 VPZKQCDKGYADLS-UHFFFAOYSA-N 449.557 5.266 0 40 IKAB Fc1ccc(-c2csc3ncnc(Nc4ccc(OCc5ccccc5)cc4)c23)cc1 3290078 PZRWGVWMOQOQHJ-UHFFFAOYSA-N 427.504 6.820 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)Nc1cccc(Cl)c1 3303368 LWCLHWKDAMBWFD-UHFFFAOYSA-N 448.375 5.549 0 40 IKAB FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2C[C@@H]2CCCO2)c(Cl)c1 3339008 ZLNBTOKSNFPADP-NSHDSACASA-N 446.907 5.404 0 40 IKAB CSc1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)s1 3346205 DKLWPYDJUVCXHS-UHFFFAOYSA-N 449.435 5.421 0 40 IKAB CCc1ccc2nc(N(CCN(CC)CC)C(=O)CCOc3ccccc3)sc2c1 4359458 PYLKNJBEBVOWMA-UHFFFAOYSA-N 425.598 5.003 0 40 IKAB CCCCCCN(CCCCCC)C[C@@H](O)c1cc(-c2ccccc2)nc2ccccc12 5837287 HESVKTOVSJMRKM-GDLZYMKVSA-N 432.652 7.398 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cccc2c(Cl)cccc12 8590625 ORIHZYDHWQZYBH-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB O=C(CCCCCNc1nc(=S)[nH]c2ccccc12)NCCc1c[nH]c2ccccc12 8682947 HOHMCPRDQSZTES-UHFFFAOYSA-N 433.581 5.105 0 40 IKAB FC(F)(F)c1ccc(Cn2c(/C=C/c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 8782200 FCYGDKXDWXFCKV-XYOKQWHBSA-N 447.287 7.581 0 40 IKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OC 8918108 SJIHOEKCVPDYLP-XNWPQPEVSA-N 434.580 5.291 0 40 IKAB biogenic O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2ccccc2c1 8921941 LWPOXOMQBXVZKZ-MHZLTWQESA-N 441.914 5.501 0 40 IKAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1ccc(Br)cc1 9190289 WVGWGCRGBCBDJU-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB CCOc1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292783 IVLNMHNMAUUHHO-FYYLOGMGSA-N 438.358 6.888 0 40 IKAB O=C(c1coc2ccccc2c1=O)N(Cc1ccccn1)c1nc2c(Cl)cccc2s1 9401721 RRMRALHHZHUZQI-UHFFFAOYSA-N 447.903 5.298 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)c1 9570150 RSWUNFXMFVGIIC-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1 9637679 YHFIDZIELWXWTP-HHHXNRCGSA-N 427.592 5.451 0 40 IKAB Cc1ccccc1CSc1nnc([C@H](C)NC(=O)c2ccccc2F)n1-c1ccccc1 9668981 NJNDBZJODYLPFN-SFHVURJKSA-N 446.551 5.498 0 40 IKAB O=C(CCc1ccc(-c2ccccc2)o1)Nc1cc2c(cc1Br)OCCO2 9984721 CWINSUQZYQUYSM-UHFFFAOYSA-N 428.282 5.052 0 40 IKAB OC(c1ccccc1)(c1ccccc1)C1CCN(Cc2cn[nH]c2-c2ccc(F)cc2)CC1 10003100 PHSNANTUHKSKGP-UHFFFAOYSA-N 441.550 5.364 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c(C)c1 10112445 BAYOALRUOQLCOP-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1nn(C)cc1Cl 12133824 AGQBDDRZOMHYSV-KRWDZBQOSA-N 433.339 5.448 0 40 IKAB Cc1ccccc1-c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(NCc2ccco2)o1 12419135 IYKVUJBUDHXIRY-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB Cc1cccc2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(Cl)nc12 12493638 DEXYYKMJFYBQIN-UHFFFAOYSA-N 442.390 7.217 0 40 IKAB CC(=O)c1ccc(N2CCN(C(=O)c3csc(-c4ccc(C(C)C)cc4)n3)CC2)cc1 12523442 MZDFVNHYPMDXHQ-UHFFFAOYSA-N 433.577 5.099 0 40 IKAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 12812566 NCLOZZNLHGHJNW-MRXNPFEDSA-N 445.544 5.097 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1ncnc2c1cnn2-c1ccccc1 12817720 TXKJSDRUEMTQCW-IRXDYDNUSA-N 431.565 5.448 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(Oc3nc(-c4ccncc4)nc4ccccc34)cc2)c1 12901050 GMTDADITOGUOPA-UHFFFAOYSA-N 432.483 6.045 0 40 IKAB COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C(F)(F)F)cc1OC(F)F 13003672 LJZKSUFBYLXEQE-UHFFFAOYSA-N 441.356 5.062 0 40 IKAB CC(C)[C@@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 13098730 PKGVFMYEOALGLD-OAHLLOKOSA-N 435.515 5.356 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)cc1 13116082 JLZXNKUVDKJRCM-QHCPKHFHSA-N 428.561 5.186 0 40 IKAB Brc1cc2c(cc1CSc1nnc(-c3c[nH]c4ccccc34)o1)OCCO2 13117475 FDYHARMJRSJQNW-UHFFFAOYSA-N 444.310 5.044 0 40 IKAB CC[C@@H](C)c1ccc(C(=O)COc2ccc(Br)cc2Br)cc1 13134236 QFEUGWNMBSRQMZ-GFCCVEGCSA-N 426.148 5.987 0 40 IKAB Cc1ccccc1N[P@@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13302906 INFZMVLEMWUBQA-YTTGMZPUSA-N 448.551 6.994 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3Cl)=NN21 13770924 ZYSNQWMPQUZZHS-NFBKMPQASA-N 425.315 6.244 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC 13776161 WKLXYFDORGXFTG-CUNXSJBXSA-N 444.531 5.572 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4)cc3)nc2c1 13954876 XOXRHCBKJNECNA-INIZCTEOSA-N 434.923 6.679 0 40 IKAB CCCc1ccc(-c2nc(NC(=O)c3ccc(Cn4ccccc4=O)o3)sc2C)cc1 14252925 WFPZIUPVEAZKOM-UHFFFAOYSA-N 433.533 5.126 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3c2C)cc1 15729409 PRRHSAWUXAUYIT-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17094594 BHLQZLHLDGKRKS-KNEUKCCGSA-N 425.642 5.485 0 40 IKAB O=C(NC(=S)Nc1c(O)ccc2ccccc12)c1cccc(OCc2ccccc2)c1 17095872 WSJKMRWDJQDWLI-UHFFFAOYSA-N 428.513 5.251 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(C(C)(C)C)cc4)ccc3o2)c1 17095945 JIUGYAGMUXNARC-UHFFFAOYSA-N 428.532 6.427 0 40 IKAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc(Br)c1 17096151 ADFDARXSPLHSKV-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB O=C(c1cc(-c2ccc(Cl)s2)nc2ccccc12)N1CCN(Cc2ccccc2)CC1 19646758 OECREBRXHBAXCN-UHFFFAOYSA-N 447.991 5.575 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20152838 UPEKBYHTKAORAM-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OCC 20456277 SIZZMZSLNPAOPU-AWEZNQCLSA-N 442.408 5.901 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F 21310741 DXYXTZFAQGSPBR-NSHDSACASA-N 425.262 5.737 0 40 IKAB O=C(CN1CCN(C/C=C/c2ccccc2)CC1)Nc1ccccc1Sc1ccccc1 22804716 DYVMCWTVIAIMIR-FMIVXFBMSA-N 443.616 5.107 0 40 IKAB CSc1ccc(NC(=O)c2ccccc2CSc2nc3nc(C)cc(C)n3n2)cc1 23005942 IEVFWLJOGKDXMZ-UHFFFAOYSA-N 435.578 5.008 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)cc1 26116583 CJYTWTFUWANDLZ-UHFFFAOYSA-N 446.638 5.178 0 40 IKAB Cc1cc(I)cnc1NC(=O)c1sc2ccccc2c1Cl 27905940 NXILNOORWPLDIM-UHFFFAOYSA-N 428.682 5.115 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3ccccc3Cl)c2)no1 33327368 ZUEMARNAKSIZLK-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl 35550786 RVXLAJWXRNFIQJ-HACGYAERSA-N 431.754 5.263 0 40 IKAB Cc1cc2nc(Sc3nnc(-c4ccc(Br)cc4)o3)c3ccccc3n2n1 40071368 XYPIZPALRTXJEY-UHFFFAOYSA-N 438.310 5.155 0 40 IKAB C[C@@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cn1)c1ccccc1 40132719 BFLPVLPDPIZFFQ-GOSISDBHSA-N 426.520 5.118 0 40 IKAB CCn1nc(C)c2nc(SCc3c(F)cccc3Cl)n(Cc3cccs3)c(=O)c21 64817577 ICNLWMASIZAKLY-UHFFFAOYSA-N 448.976 5.116 0 40 IKAB CCCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2cc(C)ccc21 64963706 VMTNCPIFMWITMJ-UHFFFAOYSA-N 429.398 5.336 0 40 IKAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(NC(=O)Nc3ccc(Cl)cc3)c2)n1 91695462 VDKMETHJWCCBIZ-UHFFFAOYSA-N 434.849 6.131 0 40 IKAB CCOCCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(C)ccc21 100873281 BHNHDRCAJWJWPU-RQZHXJHFSA-N 430.573 5.307 0 40 IKAB Cc1cccc(/N=c2/scc(-c3ccccc3F)n2Cc2ccc3c(c2)OCO3)c1C 102962745 XDEKZYKYTKXUCQ-IMVLJIQESA-N 432.520 5.982 0 40 IKAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)(C)C)cc2Br)c1C 218884078 URXMGEJEQTYLPK-UHFFFAOYSA-N 448.357 5.249 0 40 IKAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220691596 PCZSOKNGTSTWAB-LJQANCHMSA-N 443.396 5.300 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=O)CSCc1ccc(Cl)cc1Cl)CC(C)(C)O2 222728347 UDRLMQPNUCUZFH-GOSISDBHSA-N 440.392 5.654 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 222800799 UARFSXNBNIEBJM-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc2O1 223126130 LUURZCIZGCHNBN-QHCPKHFHSA-N 441.015 5.751 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 223182036 UAIPWFJIWRLQIE-HSZRJFAPSA-N 440.653 5.508 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223577333 DHHBZSJHQZDLSL-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223654301 BUQUBTBRTNXNAY-QFIPXVFZSA-N 432.967 5.054 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223813787 OTSSJKYXWXTSJM-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1)c1ccccc1 223978019 XUKLBAVCILFITR-OAQYLSRUSA-N 428.941 5.022 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224017821 RLBCHMBTYFJEEA-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224194698 SZOGZLQBTRUUER-SANMLTNESA-N 442.603 5.092 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224384453 DIXKDBAOOLDDNR-UIOOFZCWSA-N 444.648 6.689 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224422582 ZIOXMXFNVPMQQS-GOSISDBHSA-N 449.422 5.342 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224441705 VRNNMIKJZZVQAD-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3)o2)cc1 224911230 RSUVQTVKRLNVNL-UHFFFAOYSA-N 442.471 5.446 0 40 IKAB O=C(c1cc(F)ccc1F)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225256385 DNJXSZQOYXJCPY-YBFXNURJSA-N 429.517 5.221 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225274722 WYJHMWLZDKWQNP-DLBZAZTESA-N 435.395 5.176 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225337647 FOEGBVYUWGYEOU-HFESIUDZSA-N 429.604 6.439 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 225612181 TVVCRXKIXJXPMQ-XMSQKQJNSA-N 445.003 5.058 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OCC(C)C 225684984 WJROXCNPFOSSHY-UHFFFAOYSA-N 443.971 6.002 0 40 IKAB CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225870928 PXNUDXMIZMFYBY-UHFFFAOYSA-N 435.395 6.716 0 40 IKAB C[C@@H]1CCC[C@H](OC(=O)c2ccc(Br)c(-c3cc4ccccc4oc3=O)c2)C1 226357796 ALBBLMVTAYQRKN-PBHICJAKSA-N 441.321 5.958 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]32)C1 253498057 XUGISPSHIFXEHZ-YMDULWAJSA-N 428.701 7.960 0 40 IKAB endogenous,in-man CCn1c(-c2ccc(Cl)cc2Cl)csc1=Nc1ccc(S(=O)(=O)O)cc1 254306119 DKINSCKCIBUEJU-UHFFFAOYSA-N 429.350 5.022 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)nc1 257238091 HJNLRPHTKFUZCO-OAQYLSRUSA-N 447.022 6.219 0 40 IKAB CCn1c(-c2ccc(C)cc2)c(C)s/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408563379 VONQIIFKRVIQRA-DQSJHHFOSA-N 426.585 6.113 0 40 IKAB Clc1ccc(OCc2nnc(SCc3ccc(Br)cc3)o2)c(Cl)c1 408877409 RLJTZVUPSCVNEL-UHFFFAOYSA-N 446.153 6.010 0 40 IKAB Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12 409074006 PEKKFKHRLVVGAA-UHFFFAOYSA-N 431.326 6.619 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)cc2)cc1 409094993 GRQCKMCEFKRZIU-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)C(c1ccccc1)c1ccccc1 409179999 SUDRYHKNGHFECD-HHHXNRCGSA-N 440.926 6.639 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc2ccccc12 409199576 PDRAQANQKLFVHP-UHFFFAOYSA-N 448.360 6.802 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1S(=O)(=O)Nc1cccc(C)c1C 409408653 KKWSBOPKIJBIDY-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB CCc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265596 LEDYSWIZCVMHOS-KNAFXUBQSA-N 438.564 5.769 0 40 IKAB COc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(Cc3ccc(F)cc3Cl)n2)c1 585266006 YKUYOXPYVFZBCK-UHFFFAOYSA-N 429.875 5.626 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)N(c1ccccc1)c1ccccc1 899371 QURSVOFZYVSHOS-KRWDZBQOSA-N 430.533 5.033 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)cc2c1 933903 DJLDHFMLGBBJSK-UHFFFAOYSA-N 437.952 5.482 0 40 IKAB O=C(c1cccs1)n1ccc(-c2cccc(OCc3ccc(Cl)cc3Cl)c2)n1 1390006 HRCDIBFUBDIMQF-UHFFFAOYSA-N 429.328 6.186 0 40 IKAB CCN(CC)c1ccc(CCc2ccc(N(CC)CC)c3cccnc23)c2ncccc12 1665873 PKVFAUARYRLFEQ-UHFFFAOYSA-N 426.608 6.261 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1ccc(Cl)cc1C(=O)Nc1ccccc1 1739902 NHTNLHDKXCWEAE-UHFFFAOYSA-N 435.694 6.510 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(-c2ccccc2)cc1 1769290 NICBHYAPLWRJMY-UHFFFAOYSA-N 446.333 7.144 0 40 IKAB Cc1cc(OCC(=O)NC(=S)NC(c2ccccc2)c2ccccc2)ccc1C(C)C 1783117 NLBOYPHALDFEQD-UHFFFAOYSA-N 432.589 5.278 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)Oc2ccc3c4c(c(=O)oc3c2)CCC4)cc1OC 1807742 WRTICHIPCGPKOC-GXDHUFHOSA-N 448.515 5.478 0 40 IKAB COc1ccccc1[C@H](CCNCc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 1820605 SUVGWYORIDFDCX-HHHXNRCGSA-N 447.619 6.581 0 40 IKAB biogenic CN(Cc1cccs1)C(=S)SCCSC(=S)N(C)Cc1cccs1 1874998 YOZVSLDJLMLTNS-UHFFFAOYSA-N 432.752 5.410 0 40 IKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2ccc(C(=O)O)cc2)n1 1895767 IITHJTMALFPRNV-UHFFFAOYSA-N 436.518 5.269 0 40 IKAB in-vitro CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc12 2184821 XZVAFKCQBGNPFB-UHFFFAOYSA-N 429.538 5.506 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Nc1ccc(Cl)cc1 2290709 GCVLTBUDYIJXQB-UHFFFAOYSA-N 433.023 7.455 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)c3cc(Br)ccc3oc2=O)cc1OC 2581724 IGGZIMRGVVCHEH-UHFFFAOYSA-N 437.289 5.907 0 40 IKAB biogenic COc1ccc(C(C)(C)C)cc1NC(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc12 2626267 SDANUNCACSLLQP-UHFFFAOYSA-N 441.531 5.003 0 40 IKAB Cc1nn(-c2ccccc2)c(OC(=O)CCc2ccccc2)c1Sc1ccc(Cl)cc1 2718517 XLGCJHOCEFTIFQ-UHFFFAOYSA-N 448.975 6.524 0 40 IKAB Cc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccncc2)c(C)c1 2722352 LYJWAXMEJMFSNI-UHFFFAOYSA-N 428.605 5.930 0 40 IKAB CCOC(=O)c1c(N)sc(C(O)(C(F)(F)F)C(F)(F)F)c1-c1ccc(Cl)cc1 3167495 QWHKFJIMGCDDFZ-UHFFFAOYSA-N 447.784 5.140 0 40 IKAB O=C(c1ccccc1)[C@@H](OC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1 3270322 KKPCIKRRAOTZGB-RRPNLBNLSA-N 438.548 6.687 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1OC 3318920 CCKPDMMFUUAKMI-UHFFFAOYSA-N 437.952 5.897 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc2c(c1)-c1ccccc1C2 3322506 YXLKNXJKPINSAU-UHFFFAOYSA-N 447.534 6.115 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3367852 JSMUDPPHLAOLDE-UHFFFAOYSA-N 428.989 5.472 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCC2)c(Cl)c1 3371583 LZQHUHCLLHTQHI-UHFFFAOYSA-N 444.963 5.892 0 40 IKAB COc1ccc(OC)c(/C=C/C(=O)N(c2nc3ccccc3s2)c2ccccc2OC)c1 3381522 FDGWBSXOTHLRIQ-NTCAYCPXSA-N 446.528 5.700 0 40 IKAB C[C@@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 4413507 IRKARXPTWCTTMK-AQWTWLKTSA-N 425.572 6.006 0 40 IKAB Cc1cc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)nc(-c2ccccc2O)n1 4647324 JGHJPSFKSHJTPI-UHFFFAOYSA-N 436.559 5.069 0 40 IKAB C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@@H](C)CC[C@@H]1CCCO1 5743040 NCHOJZHFMFWTMB-MLCQCVOFSA-N 440.621 5.499 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1cccc(Cl)c1 6474746 YCFBWYMXVCFZRA-UHFFFAOYSA-N 426.973 5.699 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)c1 8756149 KEZHFACKPSBMKR-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB CCNC(=O)N1c2ccc(C)cc2-c2c(ss/c2=N\c2cccc(Cl)c2)C1(C)C 8869117 OPFRTNNMEALVBW-QQTULTPQSA-N 444.025 6.455 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1 8974066 QAKBMIYNPVIGDV-FQEVSTJZSA-N 437.282 5.240 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 8990312 PEWNTUATDXTYMF-UHFFFAOYSA-N 439.265 5.224 0 40 IKAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 9064628 MCWIRZKFWUKXIL-UHFFFAOYSA-N 447.560 5.131 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCc1nnc2c(C(F)(F)F)cc(Cl)cn12 9130425 WORCMDXXJOMYII-DUXPYHPUSA-N 449.647 5.038 0 40 IKAB COc1ccc2c(c1)c(C(=O)Nc1cc(Cl)ccc1N1CCOCC1)c(C)n2C1CC1 9220782 SYFYMBGJIJQMKF-UHFFFAOYSA-N 439.943 5.036 0 40 IKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@@H]5C=C[C@@H](C5)[C@@H]4C3=O)cc2)cc1 9425891 PRSPEYOGYGQESV-WMRGTZNCSA-N 449.550 6.116 0 40 IKAB CCn1ncc2c(C(=O)Nc3ccc(NC(C)=O)c(Cl)c3)cc(-c3cccs3)nc21 9980329 ATCPDEUCBJBSBD-UHFFFAOYSA-N 439.928 5.044 0 40 IKAB C[C@H](Sc1nc2ccccc2s1)C(=O)Nc1nnc(-c2ccccc2Cl)s1 11024876 ZMXYNUSBNVWFHP-JTQLQIEISA-N 432.983 5.588 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)c2cc(O)nc3ccccc23)c2ccccc2)c1 11458261 AOOCFWIGBVONCP-XMMPIXPASA-N 426.472 5.094 0 40 IKAB COc1ccc(N(C)c2nnc(-c3ccc(NC(=O)Cc4cccs4)cc3)s2)cc1 11797098 YVVRTXJTMLHSJD-UHFFFAOYSA-N 436.562 5.224 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2ccc(C)cc2)cc1 12493677 JXYKRQPXECKNLR-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB CCc1ccc(C2=Nc3ccc(Cl)cc3C(c3ccc(N4CCOCC4)cc3)=NN2)cc1 12497797 NAIYKEVUNAIXJT-UHFFFAOYSA-N 444.966 5.173 0 40 IKAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1cccc2ccccc12 12623257 CUGDPVBYWUYCEZ-CQSZACIVSA-N 430.335 5.044 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Nc2ccc(-c3csc(C)n3)cc2)c(Br)c1 12631725 BXWIUZUQIHDRKE-CYBMUJFWSA-N 430.371 5.629 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1Cl 12651160 CSAZJMBZBYANKQ-UHFFFAOYSA-N 434.927 5.596 0 40 IKAB CCn1c(SCCCc2nc(-c3cccs3)no2)nnc1-c1ccc(Cl)cc1 12774204 XGCZWRFOSJKWIO-UHFFFAOYSA-N 431.974 5.455 0 40 IKAB O=C1CCCCC[C@@H]1Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 12988839 XGXLKSWECMNTRH-IBGZPJMESA-N 431.945 5.146 0 40 IKAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1ccc(Cl)c(N2CCCC2=O)c1 12993529 VYYUPTMAXPYSNS-UHFFFAOYSA-N 433.867 5.121 0 40 IKAB O=C(c1ccccc1)c1c(C[C@@H](O)c2cccnc2)n(C(=O)c2ccccc2)c2ccccc12 13000767 BMAMBNTZRPGRTE-AREMUKBSSA-N 446.506 5.232 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)OCCOc2ccc(Cl)cc2Cl)c1 13073064 RISMUYCQNRIMQK-UHFFFAOYSA-N 436.291 5.413 0 40 IKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc(Cl)cc1Cl 13142006 VYVIICCRQFCRHT-UHFFFAOYSA-N 446.381 5.840 0 40 IKAB CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 13303463 LCACYSALAAALAR-OZWPHOJSSA-N 434.536 5.015 0 40 IKAB COc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2ccco2)cc1 13511913 RXTBHPSGFCRVGD-RUZDIDTESA-N 443.551 5.182 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(Cl)c(Cl)c1 14270527 JIPXUXJBZFTJLL-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4cccc(Cl)c4Cl)o3)cc2C1=O 14273171 SCSHWXFSLOCLRC-JXMROGBWSA-N 441.270 5.131 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)Nc2ccccc2)cc1OC 14608044 BBXQHBXNZSZXNT-HSZRJFAPSA-N 428.492 5.445 0 40 IKAB O=C(OCc1nc2ccccc2n1C(F)F)c1ccc(-c2ccc3c(c2)OCCO3)s1 14902800 GFVPQPRINQYDFN-UHFFFAOYSA-N 442.443 5.288 0 40 IKAB Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NCc2ccccc2)C1 15673949 CCEXGLXGJOOQKJ-ISKFKSNPSA-N 442.607 5.698 0 40 IKAB biogenic,in-vitro COc1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)c(C)cc3s2)cc1OC 15882540 FAWASOVSZGQRNI-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB CCCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccc(F)cc2)c1=O 15883323 ADDFPYWEYVJHFI-UHFFFAOYSA-N 443.522 5.026 0 40 IKAB COc1cc(CNCC(C)C)cc(Br)c1OCc1ccc(Cl)cc1Cl 16575290 LOQSTJCHPFPZEA-UHFFFAOYSA-N 447.200 6.089 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2ccc(OCc3ccc(C(=O)O)cc3)c(Cl)c2)C1=O 16575393 XIFITFYLYQDLMT-ZDLGFXPLSA-N 431.897 5.062 0 40 IKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2cccnc12 18038508 TZTZHUYTZKHNCN-IHBRBHLJSA-N 430.507 5.478 0 40 IKAB Cc1cccc(-c2cc(N3CCN(C)CC3)nc(SCc3ccc(Cl)cc3)n2)c1 19822024 ISCIGYJSTBHLLB-UHFFFAOYSA-N 425.001 5.150 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20037792 VESFZMIUGBUXGF-GOSISDBHSA-N 432.800 5.854 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(C(C)C)cc2Br)cc1 20110280 YTMBYDZVOMPRKB-NRFANRHFSA-N 448.401 5.864 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 21005630 NMNQPSBWOCCTNT-VWLOTQADSA-N 439.515 5.343 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072869 SEJLZJOWLXUHEL-UHFFFAOYSA-N 441.331 5.995 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2cccc(C)c2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256900 BLTXPGCUISWJCC-SFHVURJKSA-N 427.570 5.158 0 40 IKAB CCCCNC(=O)/C(=C\c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 27017257 PQAGPEFZDHXHBT-HKOYGPOVSA-N 448.950 5.820 0 40 IKAB Cc1cc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)ccc1Cl 32126201 UXTXCBNJVMDOEB-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3C)o2)cc1C 34687340 IIBRDFQXJKEILI-UHFFFAOYSA-N 438.552 7.401 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(C(C)=O)cc4)o3)C(O)=NC2=S)cc1 35128370 UNTSAQWRTYATAU-KGENOOAVSA-N 444.512 5.383 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)CN2CCN(c3ccc(F)cc3)CC2)c2ccccc21 35529687 MLIBGEMVPBAMMK-UHFFFAOYSA-N 441.550 5.472 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2cccnc2Oc2cccc(C)c2C)c1 40155330 GCSUHBWBCNGEOR-UHFFFAOYSA-N 427.298 5.514 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 48302463 AYTUDVAWFIMIJS-UHFFFAOYSA-N 429.524 5.018 0 40 IKAB Cc1ccc(NC(=O)N2CCC(c3nc4cc(Cl)ccc4o3)CC2)c(Br)c1 58061597 DLIMHULZSZNIBJ-UHFFFAOYSA-N 448.748 5.964 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc2c(Br)cccc12 59144043 VTKLERUFAHRZDW-UHFFFAOYSA-N 442.316 6.398 0 40 IKAB COc1cccc(-c2csc3ncc(C(=O)Nc4c(C)cccc4C(C)C)c(=O)n23)c1 64787966 WWHMEADUAUWBDI-UHFFFAOYSA-N 433.533 5.116 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1C 67289882 JBQQAVDZYYYIBP-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccsc3)C2)c1 69375045 DEGCUSGKNWBFLC-XMMPIXPASA-N 442.544 5.307 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 72375078 WSNYIUZMMNEQNI-LJQANCHMSA-N 440.551 5.042 0 40 IKAB CN(C)c1ccc(NC(=O)N(Cc2cccs2)Cc2cccs2)c(C(F)(F)F)c1 89323037 ANTYFXNSSAZDCF-UHFFFAOYSA-N 439.528 6.129 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1ccc(Oc2ccccc2)o1)c1c(C)[nH]c2ccccc12 95239808 FAZZVAXNXHHLNF-UHFFFAOYSA-N 432.523 7.832 0 40 IKAB Cc1ccc(N2C(=O)C3=C(C(c4ccccc4)=NCCN3)[C@H]2c2ccc(Cl)cc2)cc1 96300321 LNRBMBRIGLBCPC-RUZDIDTESA-N 427.935 5.083 0 40 IKAB COc1ccc(-n2cc(-c3nc(-c4cccc(C)c4)no3)c3ccccc3c2=O)cc1OC 96324297 AVDQBHIKJMUAIU-UHFFFAOYSA-N 439.471 5.033 0 40 IKAB CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@H]3C)CO2)[C@@H](C)C1 100741627 MFGNVTISQZYJEE-UUDPSPCASA-N 426.685 8.167 0 40 IKAB biogenic CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 102641596 YBSMFSGQGIUPNU-BSWISCRUSA-N 431.532 5.129 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102727561 MYRHAKXGORPFSA-ASSNKEHSSA-N 441.314 6.603 0 40 IKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Cl)cc2Cl)cc1 106970736 OZNQCXXFCROWND-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)c(Cl)c2)cc1 216409942 SMNAYGQDSIAGAT-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218885446 UTVBDZANQJMQCI-INIZCTEOSA-N 434.374 5.018 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222545985 LQYJXBQWVGDORK-DEOSSOPVSA-N 443.031 5.728 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 222884477 ODZCKJAUEDCXFY-MHZLTWQESA-N 442.603 5.340 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)NCC(C)C 222949424 FBVTWSGZPQLNDA-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB CC[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 223093537 AVJPQAPJTQNDOY-MHZLTWQESA-N 445.628 6.618 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223134344 OIXOKQXDIFXCMA-HXUWFJFHSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 223136114 QLQBWGHGURJIEF-QFIPXVFZSA-N 426.626 5.199 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223175037 UQBCQVGDYPCNBE-RUZDIDTESA-N 430.592 5.495 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 223438593 PECOTFDCUBYKJE-QFIPXVFZSA-N 444.616 5.171 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223540202 ROYYEJRDHXQQBK-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223691061 BGOLVWJRBRWBFB-XMMPIXPASA-N 438.612 5.023 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)c1 224314876 COECUMIGFONYQW-RPBOFIJWSA-N 425.557 6.136 0 40 IKAB COCCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224365349 QAGKRAHSXGCNKI-RPBOFIJWSA-N 448.636 5.447 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(Cl)c1 224488767 SVRIUDADJAUULQ-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224643377 TYSLWVJJAKWMCK-NRFANRHFSA-N 438.637 5.094 0 40 IKAB Cc1cccc(CN(C(=O)Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 224731078 GEEUMZUWILFNJZ-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225049870 WVMSLGPRFQTCNB-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225333302 TWTDABJSNFRKQV-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 225595420 VBBWSXGKDSCBMS-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225696554 GUZLUUPJMDREOH-HSZRJFAPSA-N 446.676 5.993 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@@H]2CCc2ccccc2)nc1CCc1ccc(F)cc1 257222698 DUKAAVYFRKIKDK-JOCHJYFZSA-N 433.527 5.091 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 260781056 SKIGSZINOSZADX-VOBQZIQPSA-N 428.483 5.480 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1 408560431 CQZDDRVERFBWMR-QOCHGBHMSA-N 435.774 5.702 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)cc1 408696467 ADLNHPPXJXLARW-UHFFFAOYSA-N 447.336 5.512 0 40 IKAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)CC1 408841156 JHCXZAGDVCAZJP-UHFFFAOYSA-N 449.982 5.232 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc2ccccc12 409207427 WRNXQNUTZACNAW-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN1C(=O)S/C(=C\c2ccc(OC(C)C)cc2)C1=O 409359310 NUVFTYVJVOPLKT-GRSHGNNSSA-N 444.940 5.111 0 40 IKAB Cc1ccc(CN2Cc3ccccc3CC3(CCN(C(=O)c4ccccc4)CC3)C2=O)cc1 1565548418 BVSYUWLEBQCDDE-UHFFFAOYSA-N 438.571 5.003 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3nc(C)cs3)c2c1 922144 LZDQAMBRNMPFAY-UHFFFAOYSA-N 438.553 5.494 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ncc(Cc2cccc(Cl)c2)s1 940026 XAAQGLJNOSPIFG-UHFFFAOYSA-N 437.746 5.167 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc21)c1ccc(F)cc1 1320622 YCHPHUNOFJBUBR-HSZRJFAPSA-N 444.289 5.140 0 40 IKAB O=C(CSc1ccc(-c2ccc(Cl)cc2)nn1)Nc1ccc(Br)cc1 1332244 IEOFDVFPJSUMMN-UHFFFAOYSA-N 434.746 5.290 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccccc3o2)c1C 1413954 JELXEJXEHQRWAP-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB CC(C)(C)c1ccc(OCCSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 2052286 HILZCCCFDVHPFL-UHFFFAOYSA-N 428.601 7.212 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCC2 2081290 QLSCTBCNQOKBAR-CQSZACIVSA-N 435.973 5.562 0 40 IKAB CCCCn1c(C)c(C(=O)OCC)c2cc(OC(=O)Cc3ccccc3)c3ccccc3c21 2277698 CRRZZUYXWUJTEC-UHFFFAOYSA-N 443.543 6.228 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(C)cccc2C(C)(C)C)cc1 2347950 LZWCYGDBZKATMC-UHFFFAOYSA-N 442.559 5.757 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn(Cc2ccc(Cl)cc2Cl)c1-c1ccc(F)cc1 2733488 KJYXMXGTOQDOJK-UHFFFAOYSA-N 429.297 7.159 0 40 IKAB O=C(Oc1cccc(Oc2ncc(C(F)(F)F)cc2Cl)c1)c1ccccc1Cl 3128077 FQPLFMKESPGQGD-UHFFFAOYSA-N 428.193 6.419 0 40 IKAB COc1ccc(CCNC(=O)CSc2nc(C)nc3sc(-c4ccccc4)cc23)cc1 3274502 LNTFDOPAEDUQLH-UHFFFAOYSA-N 449.601 5.126 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1)Nc1cccc2ccccc12 3291761 KBHUQLXLUMIHLE-UHFFFAOYSA-N 447.494 5.488 0 40 IKAB CCOC(=O)c1c(NC(=O)CNc2ccc3oc4ccccc4c3c2)sc2c1CCCC2 3316361 JXIWPIUCTXAEQB-UHFFFAOYSA-N 448.544 5.754 0 40 IKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)Cc2c(Cl)cccc2Cl)cc1 3353116 OALKLIMTDYHLQV-UHFFFAOYSA-N 427.331 5.413 0 40 IKAB OCCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1cccc(C(F)(F)F)c1 3668255 DKKIXEVOEIKGFI-NFFVHWSESA-N 446.538 6.508 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C 3851322 WKGUHYADFSJSGL-YXQSEYRFSA-N 426.685 7.880 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 4122963 PWKNPSACUJAQHH-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB Cc1ccc(C)c(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 4903299 VNCZCJCLOVDFEB-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2)c1 8453389 MGABOWJZFGQRPI-UHFFFAOYSA-N 440.499 5.508 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3Cl)c3ccccc3S2(=O)=O)cc1C 8757046 WSYVKBHROPTRON-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB Fc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8817186 VJFMKVICVXBPSM-UNMCSNQZSA-N 447.724 7.028 0 40 IKAB COCCOc1cc(-n2nc(C)c(-c3ccc(Cl)cc3)c2N)c(Cl)cc1Cl 8925809 DMAKRGJIVIWGEE-UHFFFAOYSA-N 426.731 5.415 0 40 IKAB CC(=O)c1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1 9129886 RQBZTMAHURRODK-UHFFFAOYSA-N 444.600 5.234 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 9409254 OOBLADCDXUSEBQ-SANMLTNESA-N 439.515 5.920 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 9496041 OABRTUXILMIGEJ-QGZVFWFLSA-N 434.714 5.166 0 40 IKAB Cc1oc2cc(OCC(=O)N3CCCC[C@@H]3C)ccc2c(=O)c1-c1ccc(Cl)cc1 9576254 BPRBNLPWYVJYCA-HNNXBMFYSA-N 425.912 5.202 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 9607393 JKNYSLNVOFGIFN-IBGZPJMESA-N 439.302 5.955 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)NCCC2=CCCCC2)n1-c1ccccc1 9631867 HFUATCWTARECGN-UHFFFAOYSA-N 448.592 5.042 0 40 IKAB CSc1nc(C)c(CCC(=O)N2CCc3sccc3[C@@H]2c2cccs2)c(C)n1 9664638 CXUQEDCUSYJYSZ-HXUWFJFHSA-N 429.636 5.045 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)nn1)Nc1nc(-c2ccc(Cl)cc2)cs1 9667830 MYOXQHUPPCDXLG-UHFFFAOYSA-N 439.953 5.046 0 40 IKAB CCN1CCN(c2ccc(NC(=O)C(c3ccccc3)c3ccccc3)cc2Cl)CC1 9850494 XTNVNHZXRZQPGE-UHFFFAOYSA-N 433.983 5.253 0 40 IKAB O=c1c2cc(Br)ccc2n(Cc2ccc(Cl)cc2)c(=O)n1C1CCCCC1 9935561 HRGPYYTXFAGGHS-UHFFFAOYSA-N 447.760 5.133 0 40 IKAB CCc1ccc2c(c1)c(=O)c(-c1nc(-c3ccc(C)cc3)no1)cn2Cc1ccc(F)cc1 9941295 RTUCHCPBSILNHA-UHFFFAOYSA-N 439.490 5.777 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(CCc4cccs4)c3C)o2)cc1 9948909 OPLLEFVFMCJCIK-UHFFFAOYSA-N 437.590 5.743 0 40 IKAB CC(C)(C)c1ccc(N(CC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1 10325440 DAHZNIQBJWHHJA-UHFFFAOYSA-N 436.577 5.056 0 40 IKAB CCCOc1ccc([C@@H](CC(=O)O)NC(=O)c2c(-c3ccccc3Cl)noc2C)cc1 12411268 RODYGMKIQZOVOL-LJQANCHMSA-N 442.899 5.038 0 40 IKAB O=C(NCCSc1ncc(C(F)(F)F)cc1Cl)Nc1ccc(Cl)c(Cl)c1 12998689 GDAIMEUJMSZGAM-UHFFFAOYSA-N 444.693 5.974 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1 13499967 BOYROQRJOAZZCX-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)c1 13513150 ZJIHGGZNNFJCGY-UHFFFAOYSA-N 443.576 5.044 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631205 NITUANUIWFIDBO-FQEVSTJZSA-N 444.575 5.961 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2C[C@H]2CCCO2)cc1Br 13801040 QWAVRWDTCAHYDT-JEBJBBSMSA-N 445.382 5.399 0 40 IKAB CCCn1c(S[C@H](C(=O)NC2CC2)c2ccccc2)nnc1-c1ccc(Cl)cc1 14068157 XRCQIWGLCJWKHF-IBGZPJMESA-N 426.973 5.121 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 14093129 GIQQZVUAVDRWDJ-IIBYNOLFSA-N 436.581 5.595 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccoc1C 14129168 CKYRLBKGUWBYLF-FQEVSTJZSA-N 436.512 5.478 0 40 IKAB CC(C)Cc1ccc(-c2cnc(CCC(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)o2)cc1 14281991 SGVYYUDMIUDLKQ-FQEVSTJZSA-N 442.563 5.536 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14400251 CIEHPFCSNDTIID-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCC[C@H]1c1nc2ccccc2s1 14704444 GCKVRJBVOSOVEN-QZTJIDSGSA-N 436.508 6.108 0 40 IKAB COc1cc(C)c(NC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1OC 14712449 RGZXFTUOKVWGGJ-UHFFFAOYSA-N 434.517 5.698 0 40 IKAB COc1cn(CC(=O)Nc2cc(C)cc(C)c2)c(CSc2ccc(Cl)cc2)cc1=O 15883910 DKDLIPFLAOBWLJ-UHFFFAOYSA-N 442.968 5.058 0 40 IKAB Cc1ccc(S[C@H](C)/C=C/NNC2=N[C@H](c3ccccc3)C(c3ccccc3)=NN2)cc1 16957646 XVFLOSRILJBFTA-KSTUBBRSSA-N 441.604 5.188 0 40 IKAB O=C(O[C@@]1(c2ccccc2)OC(=O)c2ccccc21)c1ccccc1C(=O)c1ccccc1 17000166 KTTJRRFDZFMDHF-NDEPHWFRSA-N 434.447 5.146 0 40 IKAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(-c2cccc(Cl)c2)nc2ccccc12 17102831 LAHXXZGSFDLMJH-UHFFFAOYSA-N 438.918 6.052 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@H]3C=CCC3)C1)N2 19083981 XXAFHFMJEJLWAC-LSTDLKDCSA-N 438.538 5.063 0 40 IKAB O=c1c2c3c(sc2[nH]c(=S)n1-c1cccc(Cl)c1)CN(Cc1ccccc1)CC3 19819703 FCSORYVQTDAWJP-UHFFFAOYSA-N 439.993 5.321 0 40 IKAB CSc1nc(SCC(=O)N[C@H](C)Cc2ccccc2)c2c3c(sc2n1)CCCC3 20100287 ONUXWQBEQYZSLH-CQSZACIVSA-N 443.663 5.132 0 40 IKAB O=C(c1ccc(CN2CCCc3ccccc32)cc1)N(Cc1ccccc1)Cc1ccccc1 20460523 IEDCIASDZZQIQK-UHFFFAOYSA-N 446.594 6.482 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 20468337 QVOFEELWYOFHQN-FYWRMAATSA-N 433.533 5.068 0 40 IKAB Clc1ccccc1-c1nnc([C@@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)o1 20509640 JGGSAHQQBXHQDS-HSZRJFAPSA-N 436.987 5.430 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)C(C)(C)Oc2ccc(Br)cc2)c1 21596032 ATOMPIPWTSEYGP-UHFFFAOYSA-N 439.737 5.247 0 40 IKAB O=C(c1cccc(-c2ccc(C(F)(F)F)cn2)c1)N1CCN(c2ccc(Cl)cc2)CC1 22996651 DQFZJWXJSLJXBK-UHFFFAOYSA-N 445.872 5.383 0 40 IKAB O=C(/C=C/c1ccccc1)N[C@@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl 28294024 MGUBUHKGXVOFKC-YXMGTMDOSA-N 438.569 5.931 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 32112057 ADGNIJPAUBXPSL-UHFFFAOYSA-N 442.902 6.952 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32114781 DYNRYSJZLLCINM-UHFFFAOYSA-N 433.241 6.261 0 40 IKAB CCCCc1ccc(N2C(=O)/C(=C\c3cccc(Br)c3)SC2=S)cc1 35040609 VUCYRFHUXDFNPI-QGOAFFKASA-N 432.408 6.198 0 40 IKAB Cc1c(-c2nc(-c3cccs3)no2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 38487769 YUWCPVRXAXCQIX-UHFFFAOYSA-N 443.550 5.084 0 40 IKAB COc1ccc(-c2nc(CSc3nccn4nc(-c5ccccc5C)cc34)c(C)o2)cc1 38651820 SEJYARDIJMVNNK-UHFFFAOYSA-N 442.544 5.969 0 40 IKAB CCCCn1c(S[C@@H](C)c2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 46552196 IOHVQFZSVNIQKG-AWEZNQCLSA-N 428.508 5.795 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 57614192 SKJFQDYGDDOQEC-JOCHJYFZSA-N 437.494 5.091 0 40 IKAB aggregator FC(F)(F)c1cccc(-c2noc(CNc3cccc4c3CN(c3nccs3)C4)n2)c1 89774541 BTRYINZVQTYOIK-UHFFFAOYSA-N 443.454 5.344 0 40 IKAB O=C(Nc1ccc(-c2ccc(NC(=O)C3[C@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100499930 LBIJPBFILQNBGT-UOKHFBGGSA-N 428.576 6.103 0 40 IKAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(Cc4ccco4)c(=N)c32)cc1 101117201 UBWIISPDOZQKPF-HSZRJFAPSA-N 435.483 5.452 0 40 IKAB Cc1ccc(C(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)N[C@@H]2c2ccccc2F)cc1 102429811 VMKHXZYXIDXLPX-DHIUTWEWSA-N 430.479 5.048 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(OCC)c2)cc1 107607404 ZEYDLAKZRHVDEH-UHFFFAOYSA-N 434.536 5.422 0 40 IKAB [N-]=[N+]=NCCOCCOCCNC(=O)CCCc1ccc2ccc3cccc4ccc1c2c34 205997884 DXXWPTFNJXUJQL-UHFFFAOYSA-N 444.535 5.366 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222504282 RJJGHXNWUMZEEW-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222612812 WGXIZOBTBKPKLD-BKMJKUGQSA-N 436.640 5.507 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)c1 222730719 WAVYECKYHAEOSE-UHFFFAOYSA-N 426.409 5.763 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223109041 OZWCUZMAFSQNQU-ZEQRLZLVSA-N 432.593 5.186 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C 223111105 PDFFFVSUVQVZPQ-LOSJGSFVSA-N 430.621 5.794 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 223223047 HYNMPZXPZIVXEA-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 223271132 SHIBZCSQCJRHFS-OAQYLSRUSA-N 447.044 5.463 0 40 IKAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223359638 DEVXOPBMLUGLJM-VWLOTQADSA-N 434.967 5.179 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223403391 ZLYXRTXIJLTNBR-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 223705711 JXOYDIJBEMMGRD-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223814216 BIRSBAGJRDBHHR-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccnc1 224157250 KMYSJEWFXNWSCX-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1 224227096 NJJJYYSWOVETJR-UHFFFAOYSA-N 433.548 5.379 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc2OC)c1 224255639 SAZKERYQZARLBB-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(C)cc1 224454563 KLWAPVXJQIWRNH-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224668911 ZLUFKARAZUFFEG-SFHVURJKSA-N 440.008 6.830 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)ccc1F 224889383 ALQDPUBNKRYHTN-QZTJIDSGSA-N 448.386 5.530 0 40 IKAB Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)Cc3cccc(C(F)(F)F)c3)C2)n1 225541363 BQGNGROLVBKHKB-GOSISDBHSA-N 443.469 5.088 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225543966 UATDRISEFDVWSI-WIOPSUGQSA-N 438.612 5.185 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@H]1O[C@@H]2c1cccc(NC(=O)c2ccoc2C)c1 226078376 MAXLXFSSOLYCRP-IPVFLDMMSA-N 447.531 6.003 0 40 IKAB O=C(Cc1ccc2c(c1)CCCO2)N1CCC(c2ccc(Cc3cccc(F)c3)cn2)CC1 257227667 FQIPNDCYIWTNNJ-UHFFFAOYSA-N 444.550 5.085 0 40 IKAB O=C(N1CCC(Cc2ccc3ncccc3c2)CC1)C1(Cc2ccc(F)cc2)CCOCC1 257251654 JRPHEWFHLQLONO-UHFFFAOYSA-N 446.566 5.195 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257339470 ZBWDHDRAXHVSGO-NRFANRHFSA-N 435.430 5.176 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257341337 ZJXOQHWJHHBJBN-GOSISDBHSA-N 444.988 5.483 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccccc1OC 408560958 GCOZONNOUVPXRZ-XDOYNYLZSA-N 431.355 5.057 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1C 408649254 ZTQADVNVYUTKHV-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2cccc(Cl)c2)cc1 408697995 KUFVZKLAHDSURK-UHFFFAOYSA-N 446.938 5.801 0 40 IKAB COc1ccc(OC)c(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)c1 408835299 YHKVTLWXHDCQDF-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccco1 408848241 UYDAZHYULGFIKK-NTCAYCPXSA-N 449.871 5.711 0 40 IKAB COc1ccc(CCCC(=O)Nc2c(C)cc(I)cc2C)c(C)c1 408909068 BXDMKZJQIGOXLW-UHFFFAOYSA-N 437.321 5.186 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)N2C(c3ccc(C)cc3)=CSC2=N1 408992848 USFLZPSSMAGRDY-VWLOTQADSA-N 437.568 6.366 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(C(=O)c2cccc(Cl)c2)CC1 409023150 SGOVDSZQQKWRCJ-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409028990 WKPCNTZMMOELGB-UHFFFAOYSA-N 426.025 6.680 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1 409115499 RVHGMRHAXLLMPF-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OCC 409133439 MMQJHFGBCOMBGN-KGENOOAVSA-N 445.968 5.807 0 40 IKAB O=C(CC[C@H](O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 409206325 UNHUJCFDANIFNY-NRFANRHFSA-N 448.975 6.583 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(F)cn3)cs2)cc1 585268790 PKYNRBUBWCUMSV-OAQYLSRUSA-N 438.572 5.564 0 40 IKAB CCOC(=O)c1cc2nccc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)n2n1 643550925 UNXCAEPOLMELQT-UHFFFAOYSA-N 440.862 5.021 0 40 IKAB Cc1cccc2c1N(C(=O)c1ccc(F)cc1)CCCN(Cc1ccccc1)CCCNC2 643580637 QRIPKRSDWSHKGJ-UHFFFAOYSA-N 445.582 5.167 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)c(Cl)c3)n2C)c(C)c1 642293 CTFPZQXINZTVNR-UHFFFAOYSA-N 435.380 5.445 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1ncc(-c2ccccc2)n1C(=O)c1ccccc1 850373 QGKRFQLYUVFCKG-UHFFFAOYSA-N 441.556 5.586 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 884469 QFUWAFVGXXYTFB-UHFFFAOYSA-N 437.565 5.436 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccccc1-c1ccccc1 907529 KBXYRAVEJQAZBG-UHFFFAOYSA-N 447.585 5.261 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccsc2)N2CCOCC2)cc1 1236180 FTUIHSZENVVENA-NRFANRHFSA-N 442.606 5.109 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)cc1Br 1413860 IYOZNNXKPCKXMF-UHFFFAOYSA-N 441.256 5.657 0 40 IKAB O=C(Nc1c(Br)cc2c(c1Br)Cc1ccccc1-2)C(F)(F)F 1705946 FCLZLHOUSKGUIE-UHFFFAOYSA-N 435.037 5.284 0 40 IKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1772201 WHEYGIMQYMTWKJ-UHFFFAOYSA-N 428.484 6.410 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCOc1ccc(F)cc1 1780613 OUBMWQGOWUCEMT-UHFFFAOYSA-N 436.914 6.105 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c(C)c1 1839339 XHYFVPGTYANHLJ-UHFFFAOYSA-N 447.585 5.721 0 40 IKAB Cc1cccc(C(=O)N[C@H](Nc2cccc(C(F)(F)F)c2)C(Cl)(Cl)Cl)c1 2054626 TWAIORZXGLLPQO-HNNXBMFYSA-N 425.665 5.552 0 40 IKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 2061308 ZUGXWFAYRFRZOC-OAQYLSRUSA-N 429.734 6.731 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C(C)C)ccc2C)cc1 2195245 VSMOMRDZDUIEJO-UHFFFAOYSA-N 428.532 5.583 0 40 IKAB CCCCCCNc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2296544 KZEJMDMHTKHNAY-UHFFFAOYSA-N 426.630 6.282 0 40 IKAB Sc1nnc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1-c1ccccc1 3074455 PSHQKXPEBWWXSO-UHFFFAOYSA-N 442.573 5.096 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)NC(c1ccccc1)c1ccccc1 3252875 SKWLGILJHQOSMB-UHFFFAOYSA-N 449.506 5.373 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1oc2ccccc2c1CSc1ccc(Cl)cc1 3297595 MCTAYJPRIMHJFN-HSZRJFAPSA-N 447.987 7.186 0 40 IKAB COc1ccccc1NC(=O)C(=Cc1ccc(C(C)C)cc1)C(=O)Nc1ccccc1OC 3329496 DJGCMSIKABNSRW-UHFFFAOYSA-N 444.531 5.488 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 3354726 BLCKQQLYVONSAR-UHFFFAOYSA-N 433.147 7.068 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 6300299 RFXPHBUHXCTATB-UHFFFAOYSA-N 437.584 5.816 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1Cl 6601813 RBOIBLSSLOIRTG-UHFFFAOYSA-N 430.913 5.313 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cs1)Nc1ccccc1C(=O)NCc1ccco1 8719484 CFIXEUMAAABXCE-UHFFFAOYSA-N 449.557 5.064 0 40 IKAB CC(C)(C)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 8815617 MZYDZDLSZVBYPK-UHFFFAOYSA-N 442.584 5.717 0 40 IKAB O=C(COC(=O)c1oc2ccccc2c1COc1ccccc1)Nc1ccc(F)cc1F 8882111 ZGFDGGFVNHMGSC-UHFFFAOYSA-N 437.398 5.086 0 40 IKAB Cc1ccccc1-n1nc2c(c1NC(=O)Cc1ccc(-c3ccccc3)cc1)CSC2 8909782 YGBUUKAASXSFIV-UHFFFAOYSA-N 425.557 5.776 0 40 IKAB CC(=O)Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8983445 LIPWAGYVZXSJSZ-UHFFFAOYSA-N 448.547 6.820 0 40 IKAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c(OC)c1 9427246 IHRAWPYLZNIIIH-MRXNPFEDSA-N 447.922 5.288 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1C(=O)c1ccccc1 9459906 UZUTUIMBJYIUBQ-UHFFFAOYSA-N 436.515 5.155 0 40 IKAB Cc1nn([C@@H]2CCS(=O)(=O)C2)c(Cl)c1/C=C/c1nc2c(ccc3ccccc32)s1 9507791 OWSSQFFNXSDQLF-LOWQCSRCSA-N 443.981 5.138 0 40 IKAB Cc1ccc(-c2onc3ccc(C(=O)N4CCN(c5cccc(C)c5)[C@H](C)C4)cc23)cc1 9528939 CEMPZSBXXZWEDK-HXUWFJFHSA-N 425.532 5.463 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)c(Cl)c1)Nc1ccccc1 9599261 YUKUDVORXSMMQR-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB Clc1ccc(-c2nnn3c2nc(NCCc2c[nH]c4ccccc24)c2ccccc23)cc1 9858834 LFBNACWPNHTFHL-UHFFFAOYSA-N 438.922 5.734 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1C(=O)c1ccc(Cl)cc1)OCCO2 9906276 GBASVBHMUCXBGT-UHFFFAOYSA-N 443.286 5.640 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1-c1ccccc1 10370456 MMFUNKLDNSWZIK-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB CCCCCOc1cccc(C(=O)Nc2nc(-c3cc4cccc(OC)c4o3)cs2)c1 10748050 LVJZWESELPYPIN-UHFFFAOYSA-N 436.533 6.386 0 40 IKAB O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1ccccc1Br 10844754 UORUIRBXBPWIGW-UHFFFAOYSA-N 442.279 5.119 0 40 IKAB Cc1ccc(C)c(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667335 NRFUNDHFFCNKGP-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB O=C(c1ccccc1)c1ccc(Oc2ncnc3scc(-c4ccc(F)cc4)c23)cc1 12581119 MODDMVSEFRZEOU-UHFFFAOYSA-N 426.472 6.521 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1Cc1cccs1 12680927 GUVMOMDQPYKVRF-UHFFFAOYSA-N 449.605 5.178 0 40 IKAB CCOc1ccc2nc(NC(=O)c3csc(-c4cccc(OC)c4OC)n3)sc2c1 12779757 GALCJDNRCGAQSR-UHFFFAOYSA-N 441.534 5.088 0 40 IKAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 12862331 UWYNGJTYLRVULU-UHFFFAOYSA-N 447.716 5.073 0 40 IKAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N[C@H]3CCC[C@@H](C(F)(F)F)C3)cc2)o1 13000946 NCHYRAUADVKGOS-MSOLQXFVSA-N 429.442 5.563 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 13117270 ZPRXWVXLPPKHKF-JYFHCDHNSA-N 428.532 5.435 0 40 IKAB O=C(/C=C/c1ccco1)Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 13305800 KGOGMISSYJTQPO-VQHVLOKHSA-N 437.304 5.039 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 13687830 XOORGPDAIBWTKC-UHFFFAOYSA-N 437.923 6.128 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccoc1C 13895100 WCVSMICLUQCPFA-UHFFFAOYSA-N 434.311 5.508 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O 14095552 KEZJTHLKHBEQAJ-GOSISDBHSA-N 425.960 5.275 0 40 IKAB O=C(c1ccccc1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 14260887 FQGDBWLMCFBEQI-UHFFFAOYSA-N 426.541 5.547 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccc(NC(=O)Cc2ccccc2)cc1 14271246 XYUBOKFWUUHGBQ-OVCLIPMQSA-N 449.963 5.048 0 40 IKAB COc1cccc(C[C@@H]2C(=O)N(C)c3ccc(Br)cc32)c1OC1CCCC1 15017795 OOHJOBUXXFPCKC-SFHVURJKSA-N 430.342 5.082 0 40 IKAB C[C@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)COc1ccc(Cl)cc1Cl 15108375 JMWYXUYPYJVXCZ-CQSZACIVSA-N 428.315 6.019 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(F)cc4)ccc3c2C)cc1OC 15729395 MBUSHCQFWJGMPE-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic CC(C)(C)P(=NC(=S)NNc1ccccc1)(N1CCCCCC1)N1CCCCCC1 15906301 PJXSYGYSBJMQGC-UHFFFAOYSA-N 449.649 6.470 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3nc(-c4ccccc4)cs3)n2)c(C)c1 17099688 NIBPXWYXPCRZHP-UHFFFAOYSA-N 435.596 7.563 0 40 IKAB COc1cccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3cccc(OC)c3)c2C)c1 17103131 JVDUWGUGMQMSDA-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB Cc1cccc2c(-c3ccncc3)c([C@@H]3CCCN(C(=O)c4cc(C(C)C)no4)C3)[nH]c12 19236540 GJIXROUCDCLHMX-LJQANCHMSA-N 428.536 5.670 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2csc(-c3ccccc3Cl)n2)cc1 19295504 CNHSVERBCCJWFE-UHFFFAOYSA-N 427.957 5.127 0 40 IKAB CCc1cc(C(F)(F)F)c2c(C3CCN(Cc4cccc(OC)c4OC)CC3)noc2n1 19522098 OTEARTBTHIEKAJ-UHFFFAOYSA-N 449.473 5.201 0 40 IKAB Cc1cc(C(=O)N2CCC([C@@H]3C[C@H](C(F)F)n4nc(C(C)(C)C)cc4N3)CC2)cs1 19571672 VYPDQGABFRRLMS-DLBZAZTESA-N 436.572 5.093 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)ccc3C)o2)cc1Cl 19643021 CBKNYNDBZFWKBG-CSKARUKUSA-N 445.371 6.397 0 40 IKAB Cc1cccc(CN2CCC[C@@](O)(c3nc(C)c(CCOc4ccccc4)s3)CC2)c1 19738685 MNWPCSXQDYHAME-SANMLTNESA-N 436.621 5.255 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)ccc1Cl 20109167 MLCBRLFSXBWUSV-UHFFFAOYSA-N 439.964 6.370 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(C[C@@H](C)c2ccccc2)C4)cc1 20610332 WKMULFHPVVXFFW-GOSISDBHSA-N 427.500 5.424 0 40 IKAB biogenic CC[C@@H](C)N(Cc1nc(-c2cccc(C)c2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255685 AKROUNOHGWXMGA-FYYLOGMGSA-N 446.595 5.397 0 40 IKAB COc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)cc1OC 23136563 RZZFOGLNBMCANB-UHFFFAOYSA-N 437.443 5.104 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)c2ccccc2)cc1 28207111 YGXRFKDFEIPKQD-IBGZPJMESA-N 448.588 5.421 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1c(Cl)cccc1Cl 32611770 SGSXLCWPAFEXCY-UHFFFAOYSA-N 437.327 5.457 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(OCc3ccccc3)cc2)no1 32909021 RHDHAEYBLLROPO-UHFFFAOYSA-N 431.517 5.502 0 40 IKAB Cc1cc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3cnn(C(C)C)c3n2)c(C)s1 48276929 AAXGAHFKGODUBB-UHFFFAOYSA-N 447.608 5.803 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)ccc1OC 49005010 PKDYKCXNFSQNPO-KRWDZBQOSA-N 434.540 5.104 0 40 IKAB CCOC(=O)CC1=CC(SCC(=O)Nc2c(C)cccc2CC)=Nc2ccccc2N1 49421651 NXYNTALWYFZVIF-UHFFFAOYSA-N 437.565 5.222 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nc2ccsc2c1=O 57426026 AOTDQMNPXXUYSR-UHFFFAOYSA-N 439.965 5.027 0 40 IKAB C[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 58978798 OOFRZEQVLMDJFL-LJQANCHMSA-N 434.561 5.027 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(SCc4ccccn4)sc3c2)cc1 59417575 YQQYICVAPPGDJJ-UHFFFAOYSA-N 427.576 5.093 0 40 IKAB Cc1ccc(C)c(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c1 67206701 CVLYQSTVDRFSAK-UHFFFAOYSA-N 441.556 5.716 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3C)oc12 67295953 UQJDHCPJKQMXPI-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2CCc3ccccc3N2C(=O)c2nc(Cl)ccc2Cl)cc1 72066764 YHMSJOYYXSJKKN-IBGZPJMESA-N 440.330 5.297 0 40 IKAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)CCc4ccccc4)CC3)c12 72336012 VRRTYPMRPQTSHX-UHFFFAOYSA-N 446.595 5.166 0 40 IKAB CC[C@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H](CC)c2ccccc2)C1)c1ccccc1 79022857 MCDFXZLRMOZUSM-RBZQAINGSA-N 434.624 5.509 0 40 IKAB Cc1ccc(CN2CCC(c3cc4c(ncn4C(C)C)c(-c4cccnc4)n3)CC2)s1 96100011 HXKLSGCIWZKUCW-UHFFFAOYSA-N 431.609 5.824 0 40 IKAB C[C@@]1([C@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 96306123 AMQREPVATSAXGL-XRKRLSELSA-N 447.534 5.919 0 40 IKAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1cccc2ccccc12 102240518 OXEBJGIVRFHJEU-SNTCSEMISA-N 442.353 5.055 0 40 IKAB C[C@H]1[C@@]2(c3ccccc3)[C@H](C(=O)c3ccccc3)N[C@H](c3ccccc3)[C@]12c1ccccc1 104216846 JNDUYIVFABWMIF-BXPLBQIBSA-N 429.563 6.108 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc1Br 106686303 GLFKXDQMAZLGHR-PDGQHHTCSA-N 432.339 5.474 0 40 IKAB COc1cc2nccc(Nc3ccc4scnc4c3)c2cc1S(=O)(=O)C(C)(C)C 202150484 QHDKGTSCQKHQIJ-UHFFFAOYSA-N 427.551 5.169 0 40 IKAB COc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 223087533 POWRTJSVPMAUEV-HXUWFJFHSA-N 438.612 5.083 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223108281 OXNADHUMWSECIV-CQSZACIVSA-N 439.353 5.565 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395814 VDLIEKXWRNHCLM-JWQCQUIFSA-N 440.572 5.054 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 223583393 KNOQGEGDPTYMEB-QFIPXVFZSA-N 428.576 5.070 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1OC 224242389 OPWHIHRJKZNBCF-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NCC(C)C 224350281 PXECUJHOXZOLJM-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 224562659 PDDUZGOADNHTTD-LJQANCHMSA-N 442.625 5.318 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1CSc1ccc(Cl)cc1 224671958 GHDPZZUGUMRQEI-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COCc1ccccc1 224749570 ODQSHXOAQYUGLP-UHFFFAOYSA-N 425.912 5.716 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(SC)c3)o2)cc1 224920231 ARRFKLCFBPJEFV-UHFFFAOYSA-N 430.529 6.382 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225086890 BZQOHRQRNVZTQN-SANMLTNESA-N 434.624 5.492 0 40 IKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc1Cl 225581265 BWPSEHMXPKATLK-OAHLLOKOSA-N 438.351 5.094 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225585499 ARYVANJEIRAXEL-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OC(C)C 225765486 XXXKVNWCHWTWSA-UHFFFAOYSA-N 443.971 6.145 0 40 IKAB Cc1cc(N2CCCCC2)nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)n1 225922380 NCZZLKIRWDHMHT-UHFFFAOYSA-N 441.988 5.175 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)[nH]1 255931741 IUQMRBQEIXCYIO-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC4(CC3)CO[C@@H](Cc3ccccn3)C4)CCCCC2)cc1 257236661 HDDCQWNIXJLOCL-VWLOTQADSA-N 432.608 5.232 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(Cl)c1)C[C@]2(C)NC(=O)c1cccc(Cl)c1 257238674 HMAJMPZVWIIAQT-XKWXGUCDSA-N 432.391 6.448 0 40 IKAB O=C(N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccc(F)cc2)CCCC1 257247708 JACOUMXORJFGQC-VWLOTQADSA-N 447.529 5.521 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257305042 SOELUEKTDACFMV-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccncc2)CC1 257319252 VRNGFKRFNKYNTJ-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Br)cc2)nc(SCc2ccccc2)n1 408582680 OWNDEKDBCDRVQA-UHFFFAOYSA-N 425.273 6.217 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2c(C)cccc2Cl)cc1OCC 408625894 YQBDMJHSTMKBBO-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB CCOc1ccc(Cl)cc1/C=C(\Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)O 408633695 LNUIWYGMCUHXMJ-YBEGLDIGSA-N 436.320 5.395 0 40 IKAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1Cl 408634375 QIYRPTXHLCATNT-YBEGLDIGSA-N 437.304 5.660 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)cc2C)cc1 408696637 CVJGCZMBQOZCNS-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408697347 GNCYWKJRAVGCTL-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2ccc(F)cc2)c1 408698997 UBZIXUPVABNSHH-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408724080 DSZOZNLJSXXIBQ-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Br)o2)C1=O 408805270 FQVRACSWTVJASK-COWXZMSHSA-N 446.390 6.096 0 40 IKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 409095406 HNBLSKJVOSGZIC-BKUYFWCQSA-N 438.911 5.723 0 40 IKAB CCCc1sc2nc(SCc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C 409118776 QDAMDFLUDNTSDA-UHFFFAOYSA-N 441.021 6.654 0 40 IKAB CCOc1cc(OCC)c(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1Br 409121566 WSGOPVBZPSWHIZ-WQRHYEAKSA-N 444.369 5.790 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)Nc1ccccc1F 409168230 LRSVQIHTTPFCNP-UHFFFAOYSA-N 442.560 5.179 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409178687 HMPGAFBYMQYHMX-STZFKDTASA-N 438.549 5.157 0 40 IKAB CC(C)Oc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)c2ccccc2)C1=O 409218688 JSLPZYLKJPPYGW-OEAKJJBVSA-N 431.513 5.546 0 40 IKAB Cc1ccccc1CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CNCCCCCO2 643583926 PFYLJFXVZRIPQK-UHFFFAOYSA-N 442.603 5.211 0 40 IKAB Cc1c(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)[nH]c2ccccc12 1848355226 YKACTPAAFMESGZ-QGZVFWFLSA-N 448.954 5.104 0 40 IKAB Cc1sc(NC(=O)c2cc3ccccc3oc2=O)nc1-c1ccc(Br)cc1 831378 WBOBSTMDRQDWKX-UHFFFAOYSA-N 441.306 5.240 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)c1 1414006 DNIYBCMJCRLMJZ-UHFFFAOYSA-N 432.476 5.553 0 40 IKAB CCCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)c1 2265852 HZZLYMBVVWYFSI-UHFFFAOYSA-N 438.575 6.395 0 40 IKAB O=C(CCc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@@H](c1ccccc1)N2 2413387 HSJLTYFEXFXBIN-GOTSBHOMSA-N 441.510 5.135 0 40 IKAB CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)N2N=CNC2=N3)cc1 2416030 GNNAYEZQEYDCCG-XZOQPEGZSA-N 444.585 5.583 0 40 IKAB CCOc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3n2)cc1 2593733 PILORUSHEGGPDN-OVCLIPMQSA-N 440.547 5.903 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nncn2-c2ccccc2)c2ccccc2)cc1Cl 2645665 QARSUVURYWBXKT-NRFANRHFSA-N 434.952 5.701 0 40 IKAB C[C@H](CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12)c1ccccc1 2694376 QYMYNPWHRBEMBS-MRXNPFEDSA-N 447.464 6.179 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc3ccccc3c1)Nc1ccccc1-2 2745166 ALDZKVBZNBKFBV-QHCPKHFHSA-N 428.561 6.477 0 40 IKAB Cc1cc(C)c(/C(=C/C(c2ccccc2)c2ccccc2)OC(=O)c2ccccc2)c(C)c1 3146778 HJODASJLDVQJPA-ANYBSYGZSA-N 432.563 7.642 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3276488 XJYSDHNHRNMNNU-CQSZACIVSA-N 434.542 5.159 0 40 IKAB COc1cc2c(cc1NC(=O)CCS(=O)(=O)c1ccc(Cl)cc1)oc1ccccc12 3299137 PCSRWFIWGZVOOW-UHFFFAOYSA-N 443.908 5.051 0 40 IKAB COC(=O)c1ccc(CSc2nc3sc4c(c3c(=O)n2CCC(C)C)CCCC4)o1 3551109 BDXKWPWEFDHYGR-UHFFFAOYSA-N 446.594 5.055 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)OC(C)(C)C)cnc2n1Cc1cccc(Cl)c1 4850400 NKQKYOMKYDFRRC-UHFFFAOYSA-N 428.964 6.131 0 40 IKAB OC1(c2ccccc2)c2cccc(Cl)c2C(O)(c2ccccc2)c2c(Cl)cccc21 5438671 MILVFGCYWDSLPE-UHFFFAOYSA-N 433.334 5.875 0 40 IKAB O[C@@H](c1cc([C@]23C[C@@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 5639875 KSGMKNOHFWUIIV-OMHKWETQSA-N 445.434 6.185 0 40 IKAB in-vitro Clc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 8426702 XIOMSBOFYKNISP-IFMALSPDSA-N 439.740 6.345 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)cc1 8426742 POSPTOJRPFMJEK-JTHBVZDNSA-N 443.761 7.198 0 40 IKAB Cc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 8831974 WVEOVNREAXNSLN-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB CC[C@H](C(=O)N1c2cc(C)c(C)cc2-c2c(ssc2=S)C1(C)C)c1ccccc1 8868567 JLKMLHLINKIWIK-KRWDZBQOSA-N 439.671 7.598 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 9250078 VIASGEGUYOVMDW-UHFFFAOYSA-N 449.576 5.389 0 40 IKAB CC(=O)NCc1ccc(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)s1 9255307 GFLTZGSEQJFERG-UHFFFAOYSA-N 448.569 5.681 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9355415 VCYKYQXSFNQKGG-AFJIDDCJSA-N 428.535 7.141 0 40 IKAB Cn1c(-c2ccccc2)c([C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355476 JOEQMEWVLXSMQS-LJAQVGFWSA-N 428.535 6.591 0 40 IKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(Br)cc2)N1c1ccccc1 9356871 RWRMEGDXKXIYGJ-JOCHJYFZSA-N 448.295 5.728 0 40 IKAB COc1ccc(C2=NN(C(=O)CSC3CCCCC3)[C@@H](c3ccc(OC)cc3)C2)cc1 9443997 ISZXFOAJUXCDAM-XMMPIXPASA-N 438.593 5.447 0 40 IKAB Cc1cc(C)c2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc2c1 9543742 VJTPMXWEYOMMMK-UHFFFAOYSA-N 443.572 5.668 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1 9556566 CAIGJJCKXNGBHG-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 9571687 YTJRWFAPJDIYRN-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB CCOc1ccc(NC(=O)CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 9584572 DZMMPEQVOAOVNI-UHFFFAOYSA-N 437.999 5.446 0 40 IKAB CCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607154 YRZXZGPVEBXBTR-UHFFFAOYSA-N 447.604 7.119 0 40 IKAB Cc1nc(SCC(=O)c2cc(C)n(C[C@@H]3CCCO3)c2C)c2c(C)c(C)sc2n1 9791895 DDXXVXVAMHHQTF-KRWDZBQOSA-N 429.611 5.189 0 40 IKAB CCOc1cccc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381549 XNTHNQGRWNMEFI-MDZDMXLPSA-N 438.578 5.090 0 40 IKAB COc1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@H](C2)C3(O)c2ncccc2C)cc1 12089093 IFKPXCPICQIXMF-XUEDKKMFSA-N 428.576 5.185 0 40 IKAB Clc1ccc(-c2nnc(SCc3cc4c(cc3Cl)OCO4)c3ccccc23)cc1 12176785 CBFKCXHFBREPKA-UHFFFAOYSA-N 441.339 6.625 0 40 IKAB COc1ccc(NC(=O)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1OC 12344160 YVSYKKNNOLWBOM-OAQYLSRUSA-N 446.334 5.449 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(c2nc(-c4cccc5ccccc45)cs2)[C@@H]3CCC1 12462607 UREPBFSARWCEKH-AREMUKBSSA-N 435.596 7.124 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3ccc(OC)cc32)cc1OCC 12485889 LHEAOBQLJCCLGW-UHFFFAOYSA-N 429.520 5.235 0 40 IKAB O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1cc(Cl)ccc1Cl 12628142 ZMYUTJQNYRZMSC-UHFFFAOYSA-N 445.220 5.512 0 40 IKAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2SCc2cccs2)cc1 12628433 IAVNGVFTMBPODX-UHFFFAOYSA-N 433.558 5.257 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H]1CN(C2CCCCC2)CC[C@@]1(O)c1ccc(Cl)cc1 13041488 CPVHOEXRGVOAQJ-ISKFKSNPSA-N 432.391 5.719 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C 13062780 SONRMLXUXFUHLY-VAWYXSNFSA-N 439.943 5.273 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2Br)nnc1-c1ccoc1C 13512286 WJSRBFHBSCZWEP-UHFFFAOYSA-N 449.374 5.140 0 40 IKAB COc1ccc(/N=c2\scc(-c3ccccc3)n2CCc2ccc(OC)c(OC)c2)cc1 13810973 PXELFKOGYWEKRO-RQZHXJHFSA-N 446.572 5.718 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c1C 14154480 WKZFHAAVWQMFPB-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1cc(C(=O)COC(=O)c2c(Cl)ccc(Cl)c2Cl)c(C)n1Cc1ccco1 14360689 VTXCPAKGWOYFSQ-UHFFFAOYSA-N 440.710 5.746 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14666391 ZHWMLXJDZJXTFE-UHFFFAOYSA-N 442.603 5.297 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)CC(c3ccccc3)c3ccccc3)s2)cc1 16193100 JXCNKQBDSQVPSW-UHFFFAOYSA-N 429.545 5.298 0 40 IKAB Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282452 AFLOXNXXZSIRBW-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688459 ZGEJKLMWDLOLRX-QFIPXVFZSA-N 446.374 5.794 0 40 IKAB Clc1ccc(CN2CCN(Cc3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1 19319443 NWXXNOLKGPIVBW-UHFFFAOYSA-N 431.794 6.663 0 40 IKAB O=C1[C@@H](C2CCN(Cc3ccnc4ccccc34)CC2)CC=CCN1CCc1ccccc1 19698494 JNLDRKROPUFNGK-HHHXNRCGSA-N 439.603 5.094 0 40 IKAB O=C(Nc1ccc(C(=O)c2ccc(Br)cc2)cc1)c1ccc(-n2cccn2)cc1 19910451 RHCQMXDTXLQOTG-UHFFFAOYSA-N 446.304 5.118 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20456862 KGYGHSFOCIHLLI-UHFFFAOYSA-N 441.575 5.278 0 40 IKAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20734091 CRFQIAIMETYMQW-QHCPKHFHSA-N 425.532 5.476 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 21099958 JHOSYQWNCMFUHM-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4ccc(C(C)C)cc4)c3)oc2cc1C 21578837 SITPATNSSQEJFK-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCC(C)CC2)o1 21659863 FIXDYSAZWCVSEK-XMMPIXPASA-N 447.579 5.325 0 40 IKAB Cc1nn(Cc2cccc3ccccc23)c(C)c1NC(=O)c1ccccc1Br 27922642 VPIVBOIRYPJGFF-UHFFFAOYSA-N 434.337 5.716 0 40 IKAB O[C@@H](CN(C1CCCCC1)C1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296810 IJRNLARHLQRPMC-QFIPXVFZSA-N 443.075 6.502 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(-c2ccco2)no1 29737525 PVAWFNUQLPNGPC-HNNXBMFYSA-N 447.495 5.629 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCCC3)c1 32091718 BRYXTGQHKDVWIM-VWLOTQADSA-N 444.575 5.713 0 40 IKAB CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 33656040 QCAPEQMYXLSBQU-MRDJVHMOSA-N 449.328 6.282 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 34690008 WSNJESNPPQDFLY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2cccc(Cl)c2)cc1 44087260 ZZMLSCCWZVQTOA-UHFFFAOYSA-N 449.963 5.932 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1cccc(-c2nc3ccccc3s2)c1 59294546 PAVHMPXIUAQGGQ-UHFFFAOYSA-N 444.600 7.057 0 40 IKAB CCCCCOc1ccc(NC(=O)C(=O)NCCOc2ccc(-c3ccccc3)cc2)cc1 59417414 PRUGCOKXDHQGSN-UHFFFAOYSA-N 446.547 5.056 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 72215470 OERRQKGHQVCFQD-LJQANCHMSA-N 431.577 5.838 0 40 IKAB CN(CCCc1ccccc1)C(=O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 72356314 CHTVAUPDPBMQBB-SANMLTNESA-N 440.587 5.127 0 40 IKAB O=S(=O)(Nc1c(Cl)cc(C(F)(F)F)cc1Cl)c1ccc(Br)cc1 80053509 TZESIAJXSJVDBJ-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB O=C(O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C45C[C@@H]6C[C@H](CC(C(=O)O)(C6)C4)C5)cc1)(C3)C2 100151972 SEBFRJUCYLOQKF-UTUAJCSJSA-N 434.576 5.532 0 40 IKAB Cc1cc2ccccc2c2c1op(N1CCCCC1)oc1c(C)cc3ccccc3c12 136428582 YWLLJBRYLCKAGW-UHFFFAOYSA-N 427.484 8.335 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1cccc(F)c1)NC(=O)c1ccccc1 215703196 CTEOFKXHEGHHMZ-ZHZULCJRSA-N 444.384 5.134 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 222457101 RDFLJLJDZWNDHG-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 223376351 QDZXRCCCAZWPMH-SFHVURJKSA-N 449.422 5.486 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223904347 BKIWSKYHHCYGAJ-RPBOFIJWSA-N 445.636 5.631 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 223951969 IAIFDENTSJZGPM-UHFFFAOYSA-N 430.614 5.357 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c1 224018976 BQEVQKQKWRYRAR-HLILLCKBSA-N 430.548 5.232 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 224212083 ARBJCSIHFNWXGS-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 224215004 QBADJMCVCCQBJY-DNQXCXABSA-N 429.520 5.966 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1C 224262460 FKCFJCANINWFKQ-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1COc1ccccc1C(C)(C)C 224509053 GGTYVYVIVODEOB-UHFFFAOYSA-N 445.603 7.085 0 40 IKAB CCOc1ccc(C(=O)NCc2ccco2)cc1COc1ccc(-c2ccccc2)cc1 224552552 JCYMIYCVJPSZER-UHFFFAOYSA-N 427.500 5.854 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796933 OVTZBNHEAVZSQT-HHHXNRCGSA-N 442.603 5.092 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225095710 IZMOAQIRQNGCTA-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225346104 VAKZQLXKPBPCJX-DLBZAZTESA-N 435.395 5.176 0 40 IKAB Cc1ccccc1[C@@H]1CCN(C(=O)c2c(-c3ccccc3Cl)noc2C)CCS1 225741998 KHGNCZMAMKOHQC-FQEVSTJZSA-N 426.969 5.932 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225769340 DSVNVTABRSJPPK-AREMUKBSSA-N 443.616 5.815 0 40 IKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)N2Cc1ccccc1 245227913 YMAUOWKZFNZVSE-NCAYHCJHSA-N 433.573 5.503 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 248139760 QOYCHHKKMUZSGU-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1cccc(CN2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)c1 257210095 BTCVWEADEOBJML-QFIPXVFZSA-N 446.570 5.102 0 40 IKAB CCOP(=O)(OCC)C(F)(F)[C@@](Nc1ccccc1)(c1ccccc1)C(F)(F)F 306145660 MHNNLTNFAOOREE-QGZVFWFLSA-N 437.345 6.415 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(C)c2)ccc1OCc1ccc(Cl)cc1 408571875 CZVSSKIVZWZPRT-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB CCCOc1ccc(/C=C(/Sc2n[nH]c(-c3cc(Cl)ccc3OC)n2)C(=O)O)cc1 408633267 XJWWOSMTGJAHHS-WOJGMQOQSA-N 445.928 5.140 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2cccc(Cl)c2)cc1)Sc1nc2ccccc2o1 408634615 SLJAWKHSFUVJQI-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc(Cl)c2)nc1-c1ccc(F)cc1 408699425 UEPUDJVBFJHGKM-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2cccc3ccccc23)c1 408724192 HLGHHJQWXHMEJM-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OCc1cccc2ccccc12 408809722 IRAHZFCXYMJOFD-NDENLUEZSA-N 439.920 5.747 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3ccccc3Br)nc2-c2ccccc2)cc1 408832924 SFERHUDTOKDTBP-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408978503 MOJLOPFKHVKXAU-UHFFFAOYSA-N 448.592 6.651 0 40 IKAB CCOC(=O)c1c(-n2c(C)cc(/C=C3/SC(=O)N(C(C)C)C3=O)c2C)sc(C)c1C 409022157 GWVWSTPJRVMKON-LICLKQGHSA-N 446.594 5.394 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409059710 NNVVCURGJBPIHC-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409101237 SFSLWQDKBRGROM-ODLFYWEKSA-N 444.940 5.031 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccc(Br)cc1 409117782 MXSCFNQBODRRSR-UHFFFAOYSA-N 440.381 6.601 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1=O 409137241 WCEVIORNJNUQBQ-VCHYOVAHSA-N 438.332 5.255 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409145090 PXHATRBBFZIJSC-UDWIEESQSA-N 425.506 5.570 0 40 IKAB Cc1cccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 409183464 SLEDAAILHJDGAI-VWLOTQADSA-N 435.907 5.535 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(Br)c(O)c(Br)c2)C1=O 409216830 LYMLUEFBOUQAKN-WQLSENKSSA-N 449.164 5.144 0 40 IKAB CC(C)[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc(-c2ccccc2)no1 526052250 KCYRFNSTCXJERK-RUZDIDTESA-N 448.526 6.079 0 40 IKAB CCCC[C@H]1CC[C@H](c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1 584578764 JNNRFAYPLVJFJM-SOAUALDESA-N 428.635 9.576 0 40 IKAB CC(C)N1[C@H]2CC[C@@H]1CCNc1ccccc1CN(C(=O)CCc1ccc(Cl)cc1)C2 643575276 BDZQEJHFJJORFU-RPWUZVMVSA-N 440.031 5.358 0 40 IKAB C[C@H](CCC[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)C(=O)O 2060993566 ITZYGDKGRKKBSN-ZFCDLGTASA-N 434.661 5.504 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1Cl 800213 AZVXICOBOCEYAE-QGZVFWFLSA-N 444.906 5.405 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 868950 PMSXSNVCRVZUQJ-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 879528 VRTRKGXIGCNWAQ-GOSISDBHSA-N 449.620 5.307 0 40 IKAB CC[C@@H]1CCCCN1C(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 890637 XNZKOXSLLCUTPF-OAHLLOKOSA-N 439.503 5.054 0 40 IKAB CCN(CC)C(=O)CSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CCCC3 1306173 MDOFCRMXKLDEHI-UHFFFAOYSA-N 428.627 5.202 0 40 IKAB CCSc1nc(Oc2ccccc2C(=O)OC)c2sc3nc(C)cc(C)c3c2n1 1394806 UHKZCBKTSIYSFL-UHFFFAOYSA-N 425.535 5.547 0 40 IKAB O=C(COC(=O)c1ccccc1Br)Nc1ccc(Oc2ccccc2)cc1 1973245 XCZQQSYIYFOPTP-UHFFFAOYSA-N 426.266 5.037 0 40 IKAB Cc1ccc(CSc2nnc3c(n2)O[C@H](c2ccc(C)cc2)Nc2ccccc2-3)cc1 2094576 PSKZEBIQORVIIQ-HSZRJFAPSA-N 426.545 5.951 0 40 IKAB COc1cccc(-c2nc(C(=O)NCCc3ccc(F)cc3)cc3c2[nH]c2ccccc23)c1 2119922 JOFBICBYVOVRNK-UHFFFAOYSA-N 439.490 5.503 0 40 IKAB biogenic FC(F)(F)C1(C(F)(F)F)N=C(c2ccc(Cl)cc2Cl)OC(N2CCCCC2)=N1 2328470 GOSALVMVULGMFW-UHFFFAOYSA-N 448.194 5.433 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(C(C)C)cc1 2433131 QMUPWDVKTFESFC-QHCPKHFHSA-N 437.511 5.416 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4OC)cc2-3)OCO5)cc1 2691370 RGHZTAQYDSLHJW-UHFFFAOYSA-N 437.499 5.551 0 40 IKAB COc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C(C)C)cc2)cc1 2693752 VYSDNIPJDKEHOU-UHFFFAOYSA-N 445.540 5.431 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(Br)cc1 3011998 MNCWVLRIXPLRJG-UHFFFAOYSA-N 448.432 6.864 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)c4cc(Cl)ccc4Cl)ccc3Cl)oc2c1 3030093 XOIMNWOBBCPXKO-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB CCOC(=O)Nc1c(C(=O)OCC)sc2nnc(-c3ccccc3)c(-c3ccccc3)c12 3129023 RVQRBKKDCGNDDE-UHFFFAOYSA-N 447.516 5.770 0 40 IKAB C[C@H](NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)c1ccccc1 3244718 JBKHYHCTFXALFD-AZUAARDMSA-N 444.575 5.420 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 3247181 IFBNEYMZMDBHGO-YJZSVRAESA-N 428.532 5.403 0 40 IKAB Cc1cccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c1C 8589307 VOYQHYZLGSJBRP-UHFFFAOYSA-N 446.601 5.923 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCN3S(=O)(=O)c2ccccc2)cc1 8613958 FBKJGSUTRCZIPH-UHFFFAOYSA-N 434.561 5.033 0 40 IKAB aggregator CCOc1c(Br)cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1OC 8755327 NXTXNSJTHLTLQA-UHFFFAOYSA-N 434.208 5.007 0 40 IKAB Cc1cccc(C)c1N1C(=O)N(Cc2ccc(F)cc2Cl)c2ccccc2S1(=O)=O 8757142 HCUAOPQSYJLBFP-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB CC1(C)[C@@H](C(=O)n2c(SCc3ccc(F)cc3)nc3ccccc32)[C@@H]1C=C(Cl)Cl 9046689 HBWKGXZPMGOLME-HNAYVOBHSA-N 449.378 6.699 0 40 IKAB Clc1ccc(-c2nc(Nc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c(Cl)c1 9301930 HGBVKKVTIPQZJQ-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB CCCCCCOc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCC)cc1 9409244 YYDHBFYOJRUPGF-VWLOTQADSA-N 433.552 5.697 0 40 IKAB Cc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc3c(c2)OCO3)cc1 9512814 JDYAPSHWQDLDGU-UHFFFAOYSA-N 443.528 5.512 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(F)cc1F 9599205 AJKSHTYIWMGDDY-UHFFFAOYSA-N 447.938 5.852 0 40 IKAB O=C1CCN(C(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)CC1 9613991 HVODRGAVDBEOFB-UHFFFAOYSA-N 433.722 5.667 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(C)ccc34)n2CC(C)C)cc1 9632490 SSBDZXZPMIFAIK-UHFFFAOYSA-N 435.549 5.317 0 40 IKAB CCOc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(CC)cc23)cc1 9676132 HZPHNLNOBQRXEA-UHFFFAOYSA-N 427.935 6.855 0 40 IKAB CS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 9712656 SDFJWGIXLLBCFJ-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB O=C(CCCS(=O)(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 10219114 QYISHRMBBPPSLK-UHFFFAOYSA-N 429.925 5.325 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 10222573 PDRLPWYMVFJBEN-UHFFFAOYSA-N 449.378 5.508 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 10449654 FMZUTXTZVFVABC-WXTAPIANSA-N 428.557 5.052 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc12 11143118 WFYGMTCNVPFASA-LBPRGKRZSA-N 441.405 6.107 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 12193829 QQSCPTWWKANGPZ-NOZRDPDXSA-N 437.370 7.359 0 40 IKAB Cc1c(-c2ccccc2)n(-c2ccc(O)cc2)c2nc(-c3ccccc3)c(-c3ccccc3)n12 12372623 YOLKKRUWLARTSC-UHFFFAOYSA-N 441.534 7.140 0 40 IKAB O[C@@H]([C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1)C(Cl)(Cl)Cl 12376623 OVYMARCHHCDVLL-SFTDATJTSA-N 445.777 5.948 0 40 IKAB Cc1cc(C)cc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 12603321 UHQIPAMLOZAJTB-UHFFFAOYSA-N 439.890 5.892 0 40 IKAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 12738706 BPFAZPBQHQXHGR-FQEVSTJZSA-N 440.543 6.136 0 40 IKAB CC(C)(C)c1cc(-c2nnc(SCc3ccc(Cl)cc3)s2)cc(C(C)(C)C)c1O 12855933 WSZGTAWFMBQVLP-UHFFFAOYSA-N 447.069 7.451 0 40 IKAB CCOc1ccccc1N(C(=O)CCc1ccc2c(c1)OCO2)c1nc2ccccc2s1 12902551 HPMQHJZXBGNCTO-UHFFFAOYSA-N 446.528 5.721 0 40 IKAB O=C(COc1ccc(F)cc1Br)Nc1cc(C(F)(F)F)ccc1Cl 13129673 XZPZEVOBEKCGOL-UHFFFAOYSA-N 426.591 5.278 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3cccs3)c2)cc1 13628675 XWXWDOBPPCFPBQ-UHFFFAOYSA-N 437.590 5.425 0 40 IKAB Cc1ccc(S[C@]2(CN3CCCCC3)COc3ccc(Br)cc3C2=O)cc1 16310908 VHAFIUUCEBAGQT-JOCHJYFZSA-N 446.410 5.350 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1F 16688749 OZYPGJZCXLHBPL-UHFFFAOYSA-N 443.946 5.798 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)cc1 16789057 VKIZZXPZRXADBE-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 16841692 XOHHSPPXHVVVNB-UHFFFAOYSA-N 436.968 5.651 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 17085942 SFVPUTHNERPBEZ-SPLOXXLWSA-N 440.996 6.667 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cc(Cl)ccc2Cl)cc1 17096318 FOZUBHSTPMWGAH-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1Cl 17099359 UEYNADNNKDTLFP-ZDUSSCGKSA-N 434.989 5.302 0 40 IKAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)cc1 19646491 MCUNJFHFOGMTDT-UHFFFAOYSA-N 447.604 5.234 0 40 IKAB O=C(Nc1s/c(=N\c2ccccc2)n(C[C@@H]2CCCO2)c1-c1ccccc1)c1ccco1 19898744 SGMMECNIFIRWEO-DDJBQFQUSA-N 445.544 5.473 0 40 IKAB CCn1c(SCc2nnc(-c3cccc(C)c3)o2)nnc1-c1cc(Cl)ccc1OC 19929396 DZDSMKXFKACOAQ-UHFFFAOYSA-N 441.944 5.278 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 20453502 CUCFMCGUOSZNHP-LEWJYISDSA-N 430.548 5.509 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1Cl 21320978 KKEJUASIBDLVCM-NSHDSACASA-N 425.262 5.737 0 40 IKAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 21586938 YMUWBWREXORJNP-UHFFFAOYSA-N 435.349 5.407 0 40 IKAB Cc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)C[C@H](C)C3)o1 23469940 LZRZZMSPYLIRHU-UYPHOHSBSA-N 425.488 5.406 0 40 IKAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cc(Cl)ccc2C)cc1 27526643 HYXGGKOSESAQEM-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB Cc1cccc(Cn2nc(C)c(NC(=O)c3ccc(COc4ccccc4Cl)o3)c2C)c1 28231202 JHMLSOXFFUJMPM-UHFFFAOYSA-N 449.938 5.934 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCc4ccccc43)c(Cl)c2)cc1 30864969 OIXTUOGLUWZJMF-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cccc(C)c3n2)cc1 33026550 VAZOFLXRJOZQDG-UHFFFAOYSA-N 444.560 5.502 0 40 IKAB CCn1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(-c4ccc(F)cc4)c23)n1 36618368 FABVEPQYIVMQLL-UHFFFAOYSA-N 427.439 5.165 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834600 YUIHMQXTUAMKGH-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB Cc1ccnc(NC(=O)C2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)c1 40149382 XMGBHSBMPRXPKS-UHFFFAOYSA-N 447.539 5.056 0 40 IKAB Fc1ccc(CSc2ncc(-c3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 44086118 NTHLUUPAVTXGAA-UHFFFAOYSA-N 429.347 7.278 0 40 IKAB COc1ccc2oc(C)c(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)c2c1 46086824 QNLWPLAIOLJURT-UHFFFAOYSA-N 443.430 6.118 0 40 IKAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)c1 57488663 LTWXCDOGNAIWRT-UHFFFAOYSA-N 449.601 5.128 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 67245445 SFBMEOZOYFVPNZ-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc3cc(OC)ccc3o2)sc2c1CC[C@H](C)C2 67339872 DTHMZXKZKWWGKU-RNVIBTMRSA-N 439.533 5.456 0 40 IKAB CC(C)C(=O)NC1CCN(Cc2ccc(-c3nc4cccc(Cl)c4s3)cc2)CC1 79016420 UPIDANWVBLLIFC-UHFFFAOYSA-N 428.001 5.353 0 40 IKAB O=C(O)c1cccc([C@@H]2Nc3ccc(CCNc4ccccn4)cc3[C@H]3[C@H]4CC[C@@H](C4)[C@@H]32)c1 100225367 BECXVCFEHZTSAS-POPDLAIHSA-N 439.559 5.731 0 40 IKAB CCC(CC)C(=O)N1N=C(c2cccc(NS(C)(O)O)c2)C[C@@H]1c1ccccc1C 101890153 BSKCMWYCRUKMFD-JOCHJYFZSA-N 429.586 5.816 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)c2)cc1 102641594 YBSMFSGQGIUPNU-DODAUVCRSA-N 431.532 5.129 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 222631708 CQDVXTDWHGFQRT-BYYRLHKVSA-N 430.360 6.238 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222983515 MLGPINVKNPMTJX-LEWJYISDSA-N 446.403 6.421 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 223817668 UMRBTHOXAAJKSL-HSZRJFAPSA-N 442.575 5.052 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 224632428 AXHFXCUOFGBSBT-QHCPKHFHSA-N 426.626 5.057 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 224668446 BWVNNNYVYJKBLK-OAQYLSRUSA-N 433.617 6.437 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224747558 MYEAFBSTXIFWPR-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(-c3nc4cc(C)ccc4[nH]3)cc2)cc1Cl 225270083 CKICTRFHFUJEQC-UHFFFAOYSA-N 441.940 5.391 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225460339 KQBQPGMNKCPDPS-XMSQKQJNSA-N 447.044 5.544 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225581141 QCRYSJUBKQDFRO-AUSIDOKSSA-N 429.004 5.303 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCC 225587683 XIZLVDJZTDRVHR-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@H]2c2ccccc2)cc(OC)c1OC 239339107 LRWSGTAEMDTYPP-OPJGWUQDSA-N 443.971 5.467 0 40 IKAB COc1ccc(Cc2cnc([C@H]3CCCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)o2)cc1 257267681 MIHZVCQNADIKOX-SFHVURJKSA-N 447.510 5.223 0 40 IKAB CCOc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)c(Cl)c1 408571244 APDHPOLWPLHGBP-MRXNPFEDSA-N 440.392 5.415 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3cccc(Cl)c3Cl)sc2n1 408618229 FDSRFFROAVQFNY-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408651881 CNLLCIKDERNWFB-SFHVURJKSA-N 433.935 5.624 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)cc1 408670473 QHAPCSMKBVXJSG-UHFFFAOYSA-N 438.527 5.877 0 40 IKAB COc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 408705727 MCHKCWWUQKZBAJ-UHFFFAOYSA-N 428.381 5.211 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409019107 IHBSVSGUGZTMCB-BIKZULFDSA-N 440.568 6.678 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)c(C)c1 409380541 GIDIKUXNNSYITI-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1cccc(C(=O)N2Cc3ccccc3NCc3ccccc3OC[C@@H]2CC(C)C)n1 643581943 IHHWEWSFVKQFIY-QFIPXVFZSA-N 445.563 5.152 0 40 IKAB Cc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2cccc3ccccc23)c1 716251 COVIINVHQVDQOL-UHFFFAOYSA-N 434.495 5.091 0 40 IKAB CCCN(CCC)C(=O)c1sc(NC(=O)c2ccc(Cl)cc2)c(C(=O)OC)c1C 871277 XXTLGSJTHWKYNN-UHFFFAOYSA-N 436.961 5.011 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(-c2nc3ncccc3o2)c1 1265712 CZIPTLWADLQLLE-BQYQJAHWSA-N 440.286 5.857 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1F 1380053 YCEOAMLCIPXVFI-NRFANRHFSA-N 426.513 5.236 0 40 IKAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(c1ccc(Oc3ccccc3)cc1)CO2 2125993 STXMOWXMQQDKOA-UHFFFAOYSA-N 439.511 6.129 0 40 IKAB biogenic CCC(=O)N(c1nc(-c2ccc(OC)cc2)c(CC)s1)c1ccc(Cl)cc1Cl 2170649 HXUZFTRVNLHHKY-UHFFFAOYSA-N 435.376 6.763 0 40 IKAB COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1O 2200857 YGUYBULGZDZXLX-UHFFFAOYSA-N 447.922 5.648 0 40 IKAB biogenic CCc1nc(SCC(=O)c2ccc(Br)cc2)c2c3c(sc2n1)CCCC3 2332092 XYQFWZRGAZTTKK-UHFFFAOYSA-N 447.423 5.870 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1C 2546517 DKIITPOKZQDSDY-QHCPKHFHSA-N 447.991 6.867 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2ccc(-c3nc4ccccc4s3)s2)c1 2659413 UHDUJJXDCQEPFK-UHFFFAOYSA-N 448.978 5.334 0 40 IKAB Cc1ccc(Cn2c(=O)c3ccccc3n3c(=S)sc(-c4cccc(Cl)c4)c23)cc1 2699189 RVJVRJQLUKWRLQ-UHFFFAOYSA-N 449.000 6.722 0 40 IKAB CCCOC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CCCCC2 2734081 WQTXTEFZBXSMFN-UHFFFAOYSA-N 437.561 5.755 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1-c1ccccc1 3012003 MUMUKNVICSPMNJ-HKBQPEDESA-N 431.579 7.489 0 40 IKAB Cc1ccc(N2C(=O)c3cccc4c(NCc5ccccc5)ccc(c34)C2=O)cc1Cl 3021103 HCKIBDXUPVNSHG-UHFFFAOYSA-N 426.903 6.214 0 40 IKAB O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C(=O)N1c1ccc(Cc2ccccc2)cc1 3144579 JBOCLJAKOZVOHS-HCXPYDJZSA-N 441.530 5.674 0 40 IKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 3216399 CIZYRWMFROLSPN-UHFFFAOYSA-N 437.495 5.870 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCC(=O)NCCCc3ccccc3)s2)cc1 3272093 HMMJUECCFYWGTH-UHFFFAOYSA-N 426.611 5.246 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Oc2ccc3ccccc3c2)cc1 3286670 ZTKUUVRMQDUQRE-NBVRZTHBSA-N 446.506 6.320 0 40 IKAB Cc1nc(SCC(=O)N(CC(C)C)CC(C)C)c2c(-c3cccs3)csc2n1 3383926 BCSYWQLZYFLXGC-UHFFFAOYSA-N 433.668 5.961 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)cc1 3396161 ZKUXASZOCUWPBL-UHFFFAOYSA-N 448.519 6.162 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(N(c2ccccc2)c2ccccc2)sc1Cl 3434945 LFXJCLUEVGWWRS-UHFFFAOYSA-N 426.950 6.099 0 40 IKAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 4822478 ZVHRVPRHMLWDIV-KMKVIZFGSA-N 444.534 5.795 0 40 IKAB CCCC[C@H](CC)CNC(=O)[C@H](C)Oc1ccc(Br)cc1Br 8453359 MOADAZDBPRCZQF-STQMWFEESA-N 435.200 5.312 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1 8832000 RRHDBMBBAQPNRO-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 8923444 NPHQYGBWBMGZIV-QHCPKHFHSA-N 433.577 5.523 0 40 IKAB Cc1cc(C)c2c(c1)-c1c(sn(-c3ccc(-c4ccccc4)cc3)c1=S)C(C)(C)N2 9190034 GDLKCGHLVGRFBX-UHFFFAOYSA-N 428.626 7.880 0 40 IKAB O=C(c1ccc2ccccc2c1)N(Cc1cccnc1)c1nc2c(Cl)cccc2s1 9242229 RKHLZJCWHNKCKO-UHFFFAOYSA-N 429.932 6.345 0 40 IKAB O=C(NCc1n[nH]c(=S)n1-c1cccc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 9369264 HFVKJQTXYPNZAC-UHFFFAOYSA-N 447.269 5.185 0 40 IKAB Fc1cccc2sc(Nc3sc4c(c3-c3nc5ccccc5s3)CCCC4)nc12 9381960 ITQLJRYFHGCPLG-UHFFFAOYSA-N 437.590 7.396 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2 9390996 KLXKQDDASXQMQY-UHFFFAOYSA-N 435.936 5.443 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2Cl)cc1 9413804 AUBPKTWYEZITKY-UHFFFAOYSA-N 438.842 5.739 0 40 IKAB Cc1ccc(N(Cc2cc3ccc(C)cc3nc2O)C(=O)c2cccc(Cl)c2)c(C)c1 9431055 TXSWPRAZFTXZDX-UHFFFAOYSA-N 430.935 6.366 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3)sc2c1 9434804 LIZHDQVXMDBWKY-IZZDOVSWSA-N 439.367 7.230 0 40 IKAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)cc1 9481267 IMDCUCCEYCMKIM-KRWDZBQOSA-N 438.578 5.035 0 40 IKAB CCOc1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)ccc1OC(F)F 9723460 XYFHAKIHKCKRTP-UHFFFAOYSA-N 429.448 5.544 0 40 IKAB COc1cccc(-c2nc(CNc3ccccc3C(=O)NCc3ccccc3)cs2)c1 9778559 CHSPTWJMBLGQBQ-UHFFFAOYSA-N 429.545 5.361 0 40 IKAB Cc1cc(OCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)ccc1Cl 11667403 GNOVDFRBFSBOPD-KRWDZBQOSA-N 437.927 5.551 0 40 IKAB COc1ccc(OC)c(-c2c(C)c3cc(OCC(=O)c4ccccc4)ccc3oc2=O)c1 11866314 JPVZCOIAHPTHQE-UHFFFAOYSA-N 430.456 5.047 0 40 IKAB biogenic CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCc1ncc(-c2ccc(F)cc2)o1 12269764 VRDUUVZGJLSMPJ-UHFFFAOYSA-N 436.405 5.860 0 40 IKAB C[C@@H](c1nnc(S[C@H](C)C(=O)c2cccc(Cl)c2)n1-c1ccc(F)cc1)N(C)C 12557986 AELIIVQRFVIIDR-UONOGXRCSA-N 432.952 5.046 0 40 IKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NCC1CCCCC1 12623366 APQTXWUKRWJLAC-UHFFFAOYSA-N 431.985 5.486 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2Cl)cc1 12711231 JHKLOHHVYBOEHV-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CC(C)c1ccc([C@H](N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12750938 UGKPWVXFPQOZKT-LOSJGSFVSA-N 434.605 5.151 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc3scc(-c4ccc(C)c(C)c4)n23)cc1 12878653 VJDWYOKLFRMXNC-UHFFFAOYSA-N 436.562 5.008 0 40 IKAB O=c1cc(C(F)(F)F)nc(SCc2ccc(Cl)c(Cl)c2)n1-c1ccccc1 12960685 UHHYCJHBUBBUAS-UHFFFAOYSA-N 431.266 5.850 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)OCc3ncc(-c4ccccc4)o3)cccc2c1=O 12979339 HPFOIDXYKOAMAV-UHFFFAOYSA-N 437.451 5.780 0 40 IKAB COc1ccc(Cn2c([C@@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1OC 13030856 VBDKOJYNKBIGLX-FQEVSTJZSA-N 428.576 6.452 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1cc(-c2ccc(Br)cc2)[nH]n1 13146169 YVLKNCNPCNYLHP-UHFFFAOYSA-N 432.321 5.682 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(N(C(=O)c3cccc(Cl)c3)C3CCCC3)s2)cc1 13563279 BOZFSWITIROPQW-UHFFFAOYSA-N 440.012 6.745 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1C 13618623 YWYPXCWPXISOJW-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 14031004 XVEXHRPMOILVER-UHFFFAOYSA-N 438.549 5.145 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(Br)c(C)c1 14269536 BGRGYHVBJFONGV-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB CN(C(=O)c1ccc(Br)cc1)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835524 JGTVWWSXKVTPOE-FQEVSTJZSA-N 425.351 5.854 0 40 IKAB Nc1c(C(=O)N2CCc3ccccc32)sc2nc(C(F)(F)F)cc(-c3cccs3)c12 15931543 HJAAVXIPAUKVOF-UHFFFAOYSA-N 445.491 5.829 0 40 IKAB CN(C)CCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16163132 WBEYCKXQDQJYFE-UHFFFAOYSA-N 446.216 5.376 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(F)cc1 16688519 AZDKDXNHHQGVAD-UHFFFAOYSA-N 443.946 5.798 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)s1 19646764 JKRAGOYMLZBPRL-UHFFFAOYSA-N 447.991 5.888 0 40 IKAB FC(F)(F)c1cccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c1 19910192 BUCYYTHTLOTHDJ-UHFFFAOYSA-N 425.233 5.301 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 19946186 AOAXOHNHKABGHS-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 21005761 SSGZYKFAGMASOJ-XMMPIXPASA-N 427.479 5.473 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22053604 YAAOREWTPJVCCR-UHFFFAOYSA-N 426.225 6.403 0 40 IKAB O=C(Nc1cccc2ccccc12)N1CCN(Cc2csc(-c3ccsc3)n2)CC1 23053670 DBLWCEASKQLELL-UHFFFAOYSA-N 434.590 5.375 0 40 IKAB O=C(c1cc(-c2ccccc2)nc2ccccc12)N1CCC(c2nc3ccccc3[nH]2)CC1 30819272 UXQXYVUKQRRWQM-UHFFFAOYSA-N 432.527 5.798 0 40 IKAB COc1ccc(-c2nc(-c3cccc(OCC(=O)Nc4cccc(Cl)c4)c3)no2)cc1 33327399 POCURNJYNOSWQK-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=C(Nc1ccccc1O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36365224 RNBVAGVCFPQNJJ-DEOSSOPVSA-N 444.506 5.617 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)c1 38771119 VAOYCIYHPAAUGL-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 44885269 RHPFMCKNRBJZBD-AREMUKBSSA-N 443.518 6.032 0 40 IKAB Cc1cc(C)c(NC(=O)CN[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 57363001 BGYMGPZISKEVQH-AREMUKBSSA-N 429.564 5.137 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1 58314853 FMBQHVCLPMJFRG-VGSWGCGISA-N 427.504 5.094 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCCC1 72215591 PNDLBKHTDFZACA-FQEVSTJZSA-N 445.604 6.228 0 40 IKAB Cc1ccc(Oc2ccc3c4c2C(=O)c2ccccc2-c4c(Oc2ccccc2)n3C)cc1 85409364 WDCAALXIOHAJKR-UHFFFAOYSA-N 431.491 7.283 0 40 IKAB Cc1cc(-c2c(C)nn(-c3ccccc3)c2O)n(-c2ncc(C(F)(F)F)cc2Cl)n1 100920836 RPNVENBFNYVDJZ-UHFFFAOYSA-N 433.821 5.115 0 40 IKAB Cc1cc2c(cc1C)N(CC(=O)N[C@H]1CCc3ccccc31)C(=O)CC(c1cccs1)=N2 101947665 XIVLOYZWPHNEAV-FQEVSTJZSA-N 443.572 5.026 0 40 IKAB O=C1/C(=C/Nc2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1c1ccccc1Cl 102995694 BNRNRFCNAZPDAT-FOWTUZBSSA-N 443.717 6.287 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)ccc1OCC(C)C 106741660 GZYWCFWEXFXYME-JMIUGGIZSA-N 449.931 5.759 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCCSc3ccccc3)cc1)CC(C)(C)O2 219265433 YJIMGEJBRJPOHE-DEOSSOPVSA-N 447.600 6.198 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222934944 AULNSWPJKUXRNF-LOSJGSFVSA-N 426.589 5.654 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224111983 PBVPHXLJLLAREO-KRWDZBQOSA-N 447.406 5.055 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc2c3c(cccc13)CC2 224257478 SLGZQHUAIRZAAV-UHFFFAOYSA-N 432.317 5.872 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccccc1C(C)C 224564681 AEDPYJGBMWQWDD-UHFFFAOYSA-N 431.576 7.163 0 40 IKAB O=C(CCc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1 224567774 SDRUUYADVFDUCT-UHFFFAOYSA-N 448.519 5.351 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 224591261 QUSNIDHXHCZQKI-XMMPIXPASA-N 438.612 5.077 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225312540 UQWAPSCOSCOGRQ-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)cc1Cl 225506570 GAGXPMAXLCXGSE-JOCHJYFZSA-N 438.980 5.901 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1 225714142 YKBXCNOAQOQPMW-DEOSSOPVSA-N 431.601 6.791 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c(C)c1 225768919 QSBGFRVSWZXFQN-VWLOTQADSA-N 429.589 5.506 0 40 IKAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)cn1c23 225862604 LVZJHUPUJKGCEU-OAHLLOKOSA-N 430.891 5.817 0 40 IKAB CCn1cc(CN2CCC[C@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 257240494 HTTBTFYFFDGAFA-SANMLTNESA-N 431.530 6.262 0 40 IKAB O=C1CS[C@@H](c2cc(Cl)ccc2OCc2ccccc2F)N1c1ccc(Cl)cc1 408555061 FQLNCFIJTPVEPB-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1c1ccc(Cl)cc1 408560406 ZDIYCGCGJOJPDU-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408573295 JREYPVURJJGSBM-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB COc1ccc(-c2c(C)nn3c(-c4ccc(Br)cc4)cc(C)nc23)cc1OC 408635777 BPQYWRVLJCKWRY-UHFFFAOYSA-N 438.325 5.460 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)cc1 408697367 GTBCTEZLZGYNIU-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cc(C)ccc2C)c1 408697877 MEHKUTDLERHQKX-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB Cc1ccc(Nc2ccc3c4c(ccc(Cl)c24)C(=O)N(c2ccc(C)cc2)C3=O)cc1 408733657 ZDVSTELAUUGMHT-UHFFFAOYSA-N 426.903 6.654 0 40 IKAB CCCc1sc2nc(SCc3ccccc3F)n(-c3cccc(C)c3)c(=O)c2c1C 409112119 KGBLMATWXQYMFO-UHFFFAOYSA-N 438.593 6.448 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 409230605 ZZRLTCYPGNYBOM-WQRHYEAKSA-N 427.287 5.655 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OCC)c2)C1=O 409238918 OJVMLJOTHBTSMM-XDHOZWIPSA-N 449.931 5.903 0 40 IKAB CC(C)CC(=O)N1CCCCCCCN(C(=O)c2ccc(Cl)cc2)Cc2ccccc21 643588252 FHODWHUPJWOSTO-UHFFFAOYSA-N 441.015 6.326 0 40 IKAB COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3ccccc3)n2)c1 881036 XKLUWYXHSNOPII-UHFFFAOYSA-N 444.556 5.717 0 40 IKAB CCn1c(CNc2cccc(C(F)(F)F)c2)nnc1S[C@H](C)C(=O)Nc1ccccc1 917423 NFOOFSPXNXAVJG-CQSZACIVSA-N 449.502 5.048 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)Nc2ccc(Cl)cc2)cc1 1509299 HRLFTHXSSINZAX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCc1ccc2oc(-c3ccc(OC)cc3)c/c(=N\c3ccc(Nc4ccccc4)cc3)c2c1 1892565 NVIPZRRARWTOQT-VEWQFJOQSA-N 446.550 7.647 0 40 IKAB Cc1c(C(=O)COc2cc3oc(=O)c4c(c3cc2Cl)CCCC4)c2ccccc2n1C 2238907 KCNTWOQOSQWXOJ-UHFFFAOYSA-N 435.907 5.387 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1C 2272328 WIPUHRFVFYHYTI-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccccc1Br)[C@@H](c1ccccc1)C1CCCC1 2322143 CZBDQWZOHJGURP-DQEYMECFSA-N 448.404 6.629 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)nc(C)c2=O)cc1 2437030 MGIWEFUSRBTLPQ-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB Fc1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 2452349 HZSKSVYQIFJKJO-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCSc3nc4ccccc4s3)n2)cc1 2656691 XPJYKHYTLKXUCW-UHFFFAOYSA-N 441.603 5.939 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 2736254 GUMOSXIEFGYNCN-NSHDSACASA-N 440.392 6.245 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 3015913 ZMWUFKNMXXQLSD-UHFFFAOYSA-N 444.705 5.598 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1sccc1OCc1c(Cl)cccc1Cl 3134822 SMWRCRREDYBUFR-UHFFFAOYSA-N 446.277 6.905 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1cc(F)c(F)c(F)c1F 3195107 PTDWNCNICFKDPA-UHFFFAOYSA-N 428.410 6.286 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3227770 AMFZQBFYKFBMCI-UHFFFAOYSA-N 448.375 5.026 0 40 IKAB Cc1cccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)c1C 3292700 QLQLLMLHVAEAJO-UHFFFAOYSA-N 436.400 5.832 0 40 IKAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(C(C)(C)C)cc1 3320431 ZSZCAXMPVAEQHD-QGZVFWFLSA-N 443.588 5.793 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCC1)Nc1ccc(Cl)cc1 3345463 YKHXBFGDXVMXSQ-UHFFFAOYSA-N 430.936 5.584 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 3666283 WNOKVWLMXOKGAG-UHFFFAOYSA-N 444.438 5.277 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 4181386 VAWZYEBCDGJDBN-YAYTYNBKSA-N 445.990 6.883 0 40 IKAB Cc1cc(C)n(-c2ncnc3c2sc2nc4c(c(-c5ccc(Cl)cc5)c23)CCCC4)n1 8386828 MXPVHQCRXKIRGV-UHFFFAOYSA-N 445.979 6.241 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccc(COc3ccccc3OC)o1)oc1ccccc12 8455195 ALRSPHXLKVWKOU-UHFFFAOYSA-N 443.455 6.028 0 40 IKAB O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2cccnc2)N1C1CCCC1 8708072 HVXMEBHMXXRYJP-SANMLTNESA-N 435.531 5.443 0 40 IKAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@H](c3ccccc3)C[C@H]12 8773760 XIEPITOOPZYXGG-UWJYYQICSA-N 438.365 5.066 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1cccc(O)c1 8820706 ALKKKXVSTKTGNB-MTJSOVHGSA-N 437.904 5.866 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c(c1)oc1ccccc12 8832377 JUPHZKLDTUPGOY-JXMROGBWSA-N 448.305 7.805 0 40 IKAB COC[C@@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1 8835106 DKLZKTDAVFSOFE-BBKFTCMMSA-N 443.522 5.414 0 40 IKAB COc1ccc(-c2c(NC(=O)c3cccs3)oc3c(sc4ccccc43)c2=O)cc1 8836301 MFSFWCFQLQGEIK-UHFFFAOYSA-N 433.510 5.997 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 8921998 QEWBGICYQNFYKF-MHZLTWQESA-N 445.946 5.226 0 40 IKAB COCCn1c(S[C@@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 8943115 PWSRPEIIZFMVHV-SFHVURJKSA-N 446.576 5.172 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccccc3Br)ccc1O2 9135392 LZYXOCHPLXDDSZ-UHFFFAOYSA-N 437.293 5.392 0 40 IKAB Cc1cn(Cc2ccc(Cl)cc2Cl)c(=O)n(Cc2ccc(Cl)cc2Cl)c1=O 9158415 IAVZDINKWHEDKV-UHFFFAOYSA-N 444.145 5.029 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccccc3Br)[nH]2)cc1 9199669 QZYDLNDOSRICEM-UHFFFAOYSA-N 445.386 5.263 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 9499128 BXTCIOXSIHNBDW-INIZCTEOSA-N 426.929 5.211 0 40 IKAB Cc1ccc2nc(NC(=O)c3ccc(COc4cccc5c4OC(C)(C)C5)cc3)sc2c1 9659771 WUKBGOOOFRKSMB-UHFFFAOYSA-N 444.556 6.150 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(F)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674117 NHOMIHUBBNLIEG-UHFFFAOYSA-N 435.524 5.447 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(Nc3cccc(OC)c3)c2c1 9838641 FNFSNKDMQVEUHU-UHFFFAOYSA-N 434.517 5.219 0 40 IKAB O=C(CCc1ccccc1)n1nc(NCc2ccc(F)cc2)nc1NCc1ccc(F)cc1 9907514 PGJPVBWHFYQSEY-UHFFFAOYSA-N 447.489 5.054 0 40 IKAB Clc1cccc(-n2c(-c3ccccc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)c1 12376999 HZSXJTQNULTKDC-UHFFFAOYSA-N 445.953 7.779 0 40 IKAB C[C@]1(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccc3c(c2)OCO3)CC1(Cl)Cl 12402158 HKJBXKQXIMVZIW-QGZVFWFLSA-N 448.224 5.749 0 40 IKAB CCCCCCc1c(-c2ccccc2)nc2nc(-c3ccccc3)c(-c3ccccc3)nn12 12419802 SVHISHXIAVPZAJ-UHFFFAOYSA-N 432.571 7.248 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 12661965 RHGDFIVJEWKIOI-UHFFFAOYSA-N 445.556 5.435 0 40 IKAB biogenic O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc1 12676463 AIOLSXVPLKMBHN-QHCPKHFHSA-N 427.500 5.056 0 40 IKAB O=C(CN1CCCC1)Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 12759367 MZVNNQLMDUHOKI-UHFFFAOYSA-N 441.962 6.257 0 40 IKAB CCCCOc1c(Cl)cc(C(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1OC 13102563 LIMPHXRYEKELIJ-UHFFFAOYSA-N 444.959 5.452 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1ccc(Cl)cc1 13133992 VFHZSRYYAXSBBG-UHFFFAOYSA-N 437.927 6.010 0 40 IKAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)c2C)cs1 14246962 CYSIYTKUGWFULB-HSZRJFAPSA-N 439.581 5.643 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4cccc5ccccc45)c3)oc2c1 14272207 QPELHRSVYWYOLH-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB N[C@@H](Sc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2)c1cccc2ccccc12 15840479 WRONZAVJTBZZHL-QFIPXVFZSA-N 433.964 5.277 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc4c(c3)Cc3ccccc3-4)o2)cc1Cl 16346696 FJHHAAUSXJISCK-JLHYYAGUSA-N 425.915 7.132 0 40 IKAB O=C(Cc1ccccc1)NC(=S)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 16478593 OHBAJFNVXPNVQC-UHFFFAOYSA-N 437.524 5.704 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccco4)c3)nc2c1 16610940 UZXZGMDYRNUERH-TYZQSYOASA-N 445.544 6.128 0 40 IKAB Cc1c(-c2cccc(NC(=O)c3cc(Br)ccc3Cl)c2)nc2ncccn12 16991698 GXHJEGVDJLIETM-UHFFFAOYSA-N 441.716 5.373 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)c(C)c3)o2)cc1Cl 17097202 SPOZUNHOHAJQOA-JXMROGBWSA-N 430.729 6.631 0 40 IKAB O=C(c1ccccc1)N1C[C@H](c2ccc(F)cc2)[C@H]2CN(Cc3ccccc3F)CC[C@H]21 19368938 MYMLKGKEFCXGCK-DGWZTRNLSA-N 432.514 5.095 0 40 IKAB CCC(CC)C(=O)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19500086 CTKFOQOEABRWOK-IBGZPJMESA-N 433.531 5.173 0 40 IKAB Cc1ccc2nc(-c3ccc(C)s3)cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c2c1 19643835 LCXWMJGADDXAPG-UHFFFAOYSA-N 445.563 5.682 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 19645000 QVNDBWSOGXTJPU-KRWDZBQOSA-N 446.572 6.503 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccccc2F)c1 19904804 LMZXBJCNZMYJRY-VWLOTQADSA-N 432.495 5.138 0 40 IKAB biogenic COc1ccc(Cl)cc1-c1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 19929158 OQLNWEVEGXEDPC-UHFFFAOYSA-N 435.292 5.394 0 40 IKAB CC(C)C[C@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 20040426 HQQQPNLFLAEJIE-NRFANRHFSA-N 436.577 5.032 0 40 IKAB CC(C)COc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411292 VCFCREXNWOAVDA-UHFFFAOYSA-N 428.532 6.905 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3ccc(C(C)C)cc3)c2c1 20940067 DBOHDHHJSOFDFG-UHFFFAOYSA-N 439.559 5.684 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccccc2Sc2ccccc2)n1Cc1ccccc1 26929631 DGLQNDYTQSNJDL-UHFFFAOYSA-N 446.601 5.517 0 40 IKAB CC(C)Cc1csc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccc(Cl)cc1 31818423 DAOBSPIBFRFOEM-UHFFFAOYSA-N 449.967 5.068 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 33752397 JILWLEXEJPTXPA-UHFFFAOYSA-N 433.891 6.153 0 40 IKAB CCc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 35533950 XMQVHYYOEYVATM-UHFFFAOYSA-N 438.506 5.694 0 40 IKAB CN(C(=O)c1ccc(Br)o1)c1ccccc1C(=O)Nc1cccc2[nH]ccc12 65624130 RNUTWEACABRYGN-UHFFFAOYSA-N 438.281 5.052 0 40 IKAB Clc1ccccc1OCCc1cc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)n[nH]1 72371478 ZCVUTFONNWJUCM-FQEVSTJZSA-N 432.955 5.222 0 40 IKAB Cc1cc(Cc2ccccc2)cc([C@@H]2CCN(C(=O)CCc3nc4ccccc4s3)C2)n1 72374785 QFJFSAHFXMMMMT-JOCHJYFZSA-N 441.600 5.539 0 40 IKAB CCCCS[C@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@@H](C)SCCCC 79016005 RTWDVFRSDOJFBT-HZPDHXFCSA-N 428.639 5.224 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)nc12 95947447 NGDXIELEDVQOHR-UHFFFAOYSA-N 429.954 5.150 0 40 IKAB CC(C)c1sc(Br)nc1C(=O)NCCCCCc1nc2ccccc2[nH]1 96118820 DQPWHWXABMBTQT-UHFFFAOYSA-N 435.391 5.048 0 40 IKAB O=C(NCc1cccc(F)c1)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344428 MCUWFXYWYMWXJF-DEOSSOPVSA-N 434.555 5.327 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1OC 100155737 JNOOFDPCFXLRJZ-VJBWXMMDSA-N 445.317 6.066 0 40 IKAB COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1OC 102725782 UXSDIDRCXAHRPZ-OYHNWAKOSA-N 432.476 5.314 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN([C@H](C)CCc4ccccc4)C3=N)n2)cc1OC 102731868 COWGMRQKVADLBA-MRXNPFEDSA-N 449.576 5.411 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 102750016 QMPCFFAWGGZZJL-DSNGMDLFSA-N 440.543 5.344 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc21 106721899 QVOIRWSKFDSLIH-ODLFYWEKSA-N 441.350 5.660 0 40 IKAB c1ccc(-c2ccc(-c3cn4nc(-c5ccccn5)c(-c5ccccn5)nc4n3)cc2)cc1 141600246 RWMCTQFPOGXYLS-UHFFFAOYSA-N 426.483 5.582 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222786627 DIRLEEGOOCOEGY-QGZVFWFLSA-N 433.017 5.154 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 223013868 ZXRMIZHABVUHDU-IBGZPJMESA-N 446.827 6.162 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 223074515 DHLKSAOHAOVPGS-FCHUYYIVSA-N 441.984 5.312 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C1CCCCC1 223114124 JAAHLTPXMFFDOW-XZOQPEGZSA-N 437.996 6.300 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 223305939 COWJWFKIRMTNBW-NKKJXINNSA-N 438.641 5.157 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 223492925 ICJJYYMFDYPCQE-BJKOFHAPSA-N 431.609 5.183 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223796934 OSPXNDVYZVMIQC-QFIPXVFZSA-N 447.044 5.546 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)c(OC)c1 224231317 ARFXLRBGZCTEJC-UHFFFAOYSA-N 435.520 5.667 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224284417 DNAZASPTTCOQBP-LJQANCHMSA-N 437.967 6.344 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2)cc1COc1ccc(-c2ccccc2)cc1 224553919 SCGOMHKABTXHSY-UHFFFAOYSA-N 441.502 6.723 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccccc1 224653894 ZQDNRILKPJFWFD-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 225098021 BCZUPYCMAFAGRE-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1F)C(=O)CCc1ccccc1Cl 225172155 SVRGBEZZSNWNIL-GOSISDBHSA-N 444.978 5.278 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC(C)CC4)cc3)CCCC2)cc1 225513314 JONVPTSUSINBDB-UHFFFAOYSA-N 434.624 5.946 0 40 IKAB S=C(NCCCSCc1ccccc1Cl)Nc1ccc(OC2CCCC2)cc1 225607927 AOYXVRIZAOTFLY-UHFFFAOYSA-N 435.058 6.271 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(C(F)(F)F)cc1 225819326 GMWGXMGNAKMVDI-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408575423 OGHMGSRENJHBPQ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1cccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)c1 408578147 WDKGVJYRMLSFMX-UHFFFAOYSA-N 434.363 6.485 0 40 IKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(I)cc1 408586237 MBKOPLIJARHAIH-UHFFFAOYSA-N 429.685 5.376 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cccc(C)c2C)cc1 408697154 FIRRZEMZHFYNHF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(c1ccc(N2CCCCC2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 408703759 YDWSTXXNUSJKPT-UHFFFAOYSA-N 439.603 5.224 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)cc2-c2ccc(-c3ccccc3)cc2)cc1 408727877 YKKJKJIDAMQEAK-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1C 409106871 PAHGHEUESDVIOQ-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB Cc1cc(I)cc(C)c1NC(=O)CSc1cccc2ccccc12 409183436 RZMVMUIEQJSMLZ-UHFFFAOYSA-N 447.341 5.792 0 40 IKAB COC(=O)c1ccc2ccc(-c3ccc(OC)c(C45CC6CC(CC(C6)C4)C5)c3)cc2c1 584577519 JLNHPCVHPGFEEB-UHFFFAOYSA-N 426.556 6.770 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)Cc1ccccc1F 643582079 KNCSSPJRTFCTIY-DEOSSOPVSA-N 446.566 5.816 0 40 IKAB CC(=O)CSc1nnc(CN2c3ccccc3Sc3ccccc32)n1-c1ccccc1 642375 MVMMTSHIVCWXRT-UHFFFAOYSA-N 444.585 5.751 0 40 IKAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@H](c2cccs2)C[C@@H]3C(F)(F)F)CC1 673825 BDRJBIBMMOPNCV-WCQYABFASA-N 432.899 5.130 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 865640 UGXGJUPKAZSTFM-CABCVRRESA-N 426.870 5.259 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(F)cc2)cs1 932848 KJVMPYXIYMIMTO-IBGZPJMESA-N 446.931 5.194 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)n2C)cc1 933546 LYMGDYBOAWIOPC-UHFFFAOYSA-N 444.560 5.160 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccc(OC)cc2)cc1 1331494 DHDFTXRLNJBZKH-UHFFFAOYSA-N 441.531 5.031 0 40 IKAB C[C@@H]1Cc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)ccc2N1C(=O)C1CC1 1366308 DANKGGCXHLOLCC-CYBMUJFWSA-N 437.952 5.403 0 40 IKAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1371256 IOMFYKCRPBTQBM-HXUWFJFHSA-N 439.943 5.011 0 40 IKAB COc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(O)cc2)cc1 1413271 NKRNOYORVPRFRL-QHCPKHFHSA-N 431.879 5.194 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 1448102 FVWVKLZCHYWWGB-UHFFFAOYSA-N 434.419 5.480 0 40 IKAB biogenic O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 2057806 QNLPZHWPALASGQ-UHFFFAOYSA-N 439.942 6.732 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(CC)cc1 2105480 DCGGILYZBGVWGA-UHFFFAOYSA-N 441.980 6.758 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(CC(C)C)cc3)c(C)s2)cc1 2112515 BQIJLSVNCAKYIH-UHFFFAOYSA-N 439.606 5.452 0 40 IKAB Cc1ccccc1-n1nc(C)c2cc(C(=O)Nc3cccc(Br)c3)sc21 2398068 BXUCGFPVHLFVNW-UHFFFAOYSA-N 426.339 5.719 0 40 IKAB Cc1cc(SCC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)nc2ccccc12 2637879 GKMOIZIQVYVAMR-UHFFFAOYSA-N 430.577 5.757 0 40 IKAB O=C(NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1)N1CCCc2ccccc21 2725496 IWZRWQSSBDENPP-UHFFFAOYSA-N 433.213 5.143 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)c1cccc(Oc2ccccc2)c1 3320032 YHMAUZHBJXHMBA-UHFFFAOYSA-N 441.556 5.746 0 40 IKAB Cc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)s1 3328286 LJUYFSNWXUBNCE-UHFFFAOYSA-N 430.942 5.198 0 40 IKAB CCOc1ccc(-n2c(S[C@H](C)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 3333787 FINDWYHWUAHKPT-GOSISDBHSA-N 431.561 6.195 0 40 IKAB FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2-c2ccccc2)c(Cl)c1 3341873 BDJRNUGCJBMXNY-UHFFFAOYSA-N 438.887 6.214 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccs2)n1C[C@@H]1CCCO1 3504294 XNHXVLSNARLKHW-SFHVURJKSA-N 443.594 5.079 0 40 IKAB COC(=O)C(=O)NC1=C(c2ccccc2)c2ccccc2C1(c1ccccc1)c1ccccc1 3844509 KXZLDFMLOAGWFP-UHFFFAOYSA-N 445.518 5.083 0 40 IKAB biogenic CCOC(=O)C1=C(C(=O)OCC)[C@H](c2ccccc2)N(c2ccccc2)[C@H]1c1ccccc1 4822499 NHOFTFPUBOZDPJ-UIOOFZCWSA-N 441.527 5.412 0 40 IKAB Cc1cc(SCC(=O)Nc2nsc(-c3ccc(Cl)cc3)n2)nc2ccccc12 6148043 QIEZQEJZIFYLQE-UHFFFAOYSA-N 426.954 5.446 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 6408758 ZLSNFQDVUCZEGE-GOSISDBHSA-N 448.588 6.323 0 40 IKAB COc1cccc2c(NC(=O)c3ccccc3Cl)c(C(=O)c3ccc(Cl)cc3)oc12 8769057 ZYBHBBQKFVFIDH-UHFFFAOYSA-N 440.282 6.232 0 40 IKAB biogenic c1ccc(C2CCC3(CC2)Oc2ccccc2[C@@H]2CC(c4cccc5ccccc45)=NN23)cc1 8816758 VEBWUHUSJBKXKB-NFCLYEEXSA-N 444.578 7.437 0 40 IKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 8836035 UFHHJUYDSWAKDC-UZLBHIALSA-N 445.415 6.868 0 40 IKAB CCc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N 9010259 OTDOYGKMMAPMLS-UHFFFAOYSA-N 449.579 7.027 0 40 IKAB CSc1cccc(NC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)c1 9052539 YUOCVFPBLJWRFJ-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB C[C@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C 9101193 RSQZQCNZWOSAJF-CQSZACIVSA-N 437.396 5.368 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2cccc(Br)c2)CSC3)c(C)c1 9404438 HRQORTSQKHLWHY-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB O=C(Nc1nc(-c2nc3ccccc3s2)cs1)c1sc2ccccc2c1Cl 9404698 FNRWIHOODOFVNP-UHFFFAOYSA-N 427.963 6.540 0 40 IKAB O=C(CCCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1-c1nc2ccccc2[nH]1 9466448 BQJWENGTMQLYGM-UHFFFAOYSA-N 432.911 5.032 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2ccc(F)cc2Br)o1 9533823 CHWGUWRJBRBJDV-UHFFFAOYSA-N 430.233 5.181 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3ccccc3Cl)nc12 9829765 KCXILJVHBXVDSZ-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12195778 VCWMZPNFXLNGTM-UPVQGACJSA-N 448.906 5.378 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](CSc3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2)cc1 12338598 ZIPSXGCDAIGLJZ-VXKWHMMOSA-N 427.491 6.510 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)c1 12539552 WCAZKHLPXSHXMX-NRFANRHFSA-N 443.522 5.079 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1C 12584036 ZQVBHSGFARUDFC-UHFFFAOYSA-N 446.528 5.709 0 40 IKAB Cn1ccnc1SCc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1 12628849 AKQKLYSQZCECEA-UHFFFAOYSA-N 440.528 5.204 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3ccc(C)c(F)c3)cs2)cc(OC)c1 13010366 ZLHVPULDPSXGOZ-UHFFFAOYSA-N 432.542 5.081 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)cc1 13038225 NSSJLPKFWXMUMI-UHFFFAOYSA-N 444.556 5.887 0 40 IKAB Cc1ccc(-n2c(SC[C@H]3CN(CC(C)C)CCO3)nnc2-c2ccccc2)cc1C 13145867 CTGFEBZDJMGKFP-HSZRJFAPSA-N 436.625 5.000 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628237 JDJOHUOQEAPUGY-IBGZPJMESA-N 430.548 5.951 0 40 IKAB C[C@]12C=C(c3c(O)cc(-c4cc5ccc(O)cc5o4)cc3O)C[C@H](C1)c1ccc(O)cc1O2 14610496 ZVTKGVROAGDVCH-CHAGWJKLSA-N 442.467 6.034 0 40 IKAB biogenic CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccc(Cl)cc1 15222431 HAACGPUOUUCXPB-NUKGXUILSA-N 428.963 5.890 0 40 IKAB Cc1ccc(-c2csc3nc(CS[C@@H](C)C(=O)N(C(C)C)C(C)C)[nH]c(=O)c23)s1 15494975 JJMZCSQZHYWTAV-AWEZNQCLSA-N 449.667 5.289 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)nc(-c3ccncc3)n2)C1 19081231 ZBCPMIOUUOHQJK-GOSISDBHSA-N 433.531 5.173 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)[C@H]3CC=CCC3)CC1)N2 19084092 FVTAONSUNSXGIK-JENIJYKNSA-N 438.538 5.063 0 40 IKAB COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)[C@@H]3CCC(C)=C(C)C3)CC2)cc1 19695262 QYYUKMAGRCIJOY-JOCHJYFZSA-N 448.611 5.061 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20140003 QRQOKJTVVYMKDR-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Br 20142308 MWZNKIZCPXZAIL-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCN(C(C)(C)C)C3 20828972 GOCNFVVJPPPDNQ-UHFFFAOYSA-N 441.666 5.555 0 40 IKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)Cc4ccccc4)cc3s2)cc1 20895144 HLJTXTVPIREFES-UHFFFAOYSA-N 434.586 5.957 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(OC(C)C)cc3)n2)cc1 22459896 PYKFACAYCAXQKP-UHFFFAOYSA-N 429.476 5.452 0 40 IKAB COc1ccc(-n2c(SCc3nc(C(C)C)no3)nnc2-c2ccc(Cl)cc2)cc1 24987340 XFSZSUAPILGZBX-UHFFFAOYSA-N 441.944 5.395 0 40 IKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)CSCc1cccc(Cl)c1 24993649 NHRZKSLWWWWDBR-UHFFFAOYSA-N 441.000 5.505 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)[C@H]1CCCN1Cc1coc(-c2ccc(F)cc2)n1 26461380 NGCOCSYECKWQCU-LJQANCHMSA-N 434.298 5.391 0 40 IKAB Cc1cc(OCC(=O)N(Cc2ccc(Br)o2)c2ccccn2)cc(C)c1Cl 28290641 WKRUUDSLMGARRQ-UHFFFAOYSA-N 449.732 5.320 0 40 IKAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccc(Br)c(Cl)c1 32124894 QAPLVFABOYHUQG-UHFFFAOYSA-N 442.538 5.458 0 40 IKAB S=C(c1ccccc1OCc1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 33677416 KANCRNMKIIQXFU-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB CC(C)(C)c1cc(-c2nc3ccc(Cl)cn3c2Nc2ccccc2)cc(C(C)(C)C)c1O 35615758 OCRCYEYHZWMJHC-UHFFFAOYSA-N 448.010 7.699 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 36610876 TWKMCDHWTSQHIJ-YGWWIXQMSA-N 442.640 6.922 0 40 IKAB biogenic Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 40150030 MGXPEBWNFURLRW-DHIUTWEWSA-N 446.555 5.389 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3cccc(OC)c3)[C@@H]2c2ccc(Cl)cc2)cc1 40485445 UERNHDFQGRNFGA-HSZRJFAPSA-N 435.907 5.410 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Br)c3)nc2c1)c1ccc(Cl)cc1 40717510 LIFOSVQWVXTHJU-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44932223 AFLRODVTVXBTLB-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccc(OC)cc4OC)[nH]n3)ccc21 57412953 ZZWHTYWRKMDRNM-UHFFFAOYSA-N 440.503 5.474 0 40 IKAB CN(Cc1nc2ccsc2c(=O)[nH]1)C(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 58378114 UCZWKYQCAPEWKC-VQHVLOKHSA-N 441.965 5.038 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 59108648 XMQRBQRURAONLH-UHFFFAOYSA-N 443.591 5.440 0 40 IKAB CCCn1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 65322236 XPSMMCZYMIKZIC-UHFFFAOYSA-N 440.975 5.103 0 40 IKAB CC(C)(C)c1ccc(-n2c(COc3ccccc3)nn(CN3CCCCC3)c2=S)cc1 72329970 AJJPSJDCVNFASZ-UHFFFAOYSA-N 436.625 5.723 0 40 IKAB C[C@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12)N1CCCCC1 80345958 XKMYZHFQZAFWFR-QGZVFWFLSA-N 447.970 5.892 0 40 IKAB Clc1ccc(/C=C/c2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1 80346288 ULOBTTQARAGYAL-DUXPYHPUSA-N 431.392 6.131 0 40 IKAB C[C@H](NC(=O)Cc1coc(-c2cccs2)n1)c1nc(-c2ccc(Cl)c(Cl)c2)c[nH]1 89904491 XVEQNRLOLYWCFS-NSHDSACASA-N 447.347 5.520 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccncc5)cc34)cs2)cc1 96154501 JXHIAJZLFKJORY-UHFFFAOYSA-N 440.528 5.294 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ncc(Cc2ccc(Cl)cc2)s1 96306230 VUTMAFVGYNWUGT-UHFFFAOYSA-N 431.995 5.728 0 40 IKAB COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344417 GOHKROANVGVMEI-VWLOTQADSA-N 446.591 5.197 0 40 IKAB COc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1Cl 102995826 XNHMDQJIWIHEGD-GHRIWEEISA-N 439.298 5.642 0 40 IKAB CCCOc1c(Cl)cc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1OC 108210521 IDTMAUUAFKHCEL-UHFFFAOYSA-N 438.907 5.844 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 118913479 IVXHYDUXTYURSY-ALUNSLKMSA-N 446.553 6.383 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932462 QRSNTERZEKNKIZ-OJALXQQISA-N 444.700 6.930 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(OCCOc4ccccc4)cc3)C2=O)cc1 214483667 JFIYWOMTJGZQCK-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4cccc(C)c4)C3=O)o2)cc1 214600795 IGXDCABTUOSMFC-HYARGMPZSA-N 447.512 5.668 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCc2ccc3ccccc3c2)c(Br)c1 222786795 PLGSLWQYZNSTHG-UHFFFAOYSA-N 426.354 5.595 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 224028574 KDLOZUVRUVZSGL-SFHVURJKSA-N 447.579 5.339 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224243237 NUYFAHOYCQQJMX-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@@H](CC)C(=O)NC2CCCC2)cc1 224276272 CXWWRUJVHSQGPK-SANMLTNESA-N 434.624 5.356 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccccc1C(C)(C)C 224509255 BWLQDHJTZCLMLF-UHFFFAOYSA-N 431.576 6.777 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cc(C)cc(C)c1 224532565 YLNVWIPOPYYDBX-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1cccc(OC)c1 224587912 RKSANCURTZQTSE-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Oc2ccccc2)cc1 224625170 WAUUVZLCOVLQBN-DHIUTWEWSA-N 429.570 6.113 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 224903244 ZLDNWVGGTWAQCY-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OCC 225060027 RFXMDKJRRDJQKW-UHFFFAOYSA-N 428.381 5.454 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccccc2F)CCCCC1 225545308 YXMMQJMSDJDEOT-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 225596111 XNMRWHLUFXUFFT-MRXNPFEDSA-N 442.968 5.194 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 225602112 JGEOBRJLNPBMSH-AUSIDOKSSA-N 429.004 5.303 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCCC2)cc1C(=O)OCC 225758672 AUSKUFKSXMLZBE-UHFFFAOYSA-N 437.580 6.191 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 257264803 LWBPNWDVIMCMMI-BVSLBCMMSA-N 436.600 5.011 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 260781025 SKIGSZINOSZADX-JSNMRZPZSA-N 428.483 5.480 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(Cl)cc1 408560004 BNWJLZCZIKDKKK-UHFFFAOYSA-N 436.968 5.426 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 408617455 AMTKOIYECYDMTN-PJYWLYPCSA-N 448.349 5.738 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cccc(Cl)c3)c2C)cc1 408673018 XVZQITTVPVOJOD-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB O=C(Nc1cccc(Br)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679225 VLCJZEWSQVTMJA-UHFFFAOYSA-N 437.268 5.329 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc1 408695050 OISCEOMKIMYYCZ-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1 408726038 RQCLAYUKDNJWNV-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCC(C)C)c3ccccc23)S1 408800501 NCDJPOVXZRKURM-UHFFFAOYSA-N 447.580 5.955 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(C(=O)c2ccccc2Cl)CC1 408970673 JYBDDTTYNZJPCX-UHFFFAOYSA-N 434.923 5.623 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cn(Cc2cccc3ccccc23)c2ccccc12 409109149 YMTJGGYHLBUHRS-YUMHPJSZSA-N 432.548 6.928 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409141358 JKRKTMKYEYOQRG-WASCAKKMSA-N 429.969 6.186 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2Cl)cc1 409179518 RBSUTKGFOGCQHJ-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB CCCn1c(SCc2nc(-c3ccc(SC)cc3)no2)nc2ccc(F)cc2c1=O 669560104 NAGYLVNWNFLBIW-UHFFFAOYSA-N 442.541 5.010 0 40 IKAB CC(C)(C)[C@@H]1CC[C@@H](C(=O)Oc2ccc(I)cc2)[C@H](C(C)(C)C)C1 1505840711 SXCNJZUGLYFXKJ-ZTFGCOKTSA-N 442.381 6.321 0 40 IKAB Cc1ccc(CN2CCC(N3C(=O)NCCc4ccccc4[C@H]3c3ccccc3)CC2)s1 1615530095 QIIYZUMUFBOFOR-AREMUKBSSA-N 445.632 5.378 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)C3c4ccccc4Oc4ccccc43)s2)cc1 789933 KQWHQAOLLUYSKV-UHFFFAOYSA-N 429.501 5.014 0 40 IKAB Clc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4)o3)o2)c(Cl)c1 862442 IPQYKLIUYKIXHB-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB Cc1ccc(-n2c(CNc3ccc(C)c(Cl)c3)nnc2SCC(=O)OC(C)C)cc1 917400 XAJFOMPTNVOFMR-UHFFFAOYSA-N 444.988 5.193 0 40 IKAB CC1(C)Cc2nc3sc4c(SCc5ccc6c(c5)OCO6)ncnc4c3cc2CO1 987280 HQQRDSRLPHFPPC-UHFFFAOYSA-N 437.546 5.112 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 997876 DXROIQWNCCCYOT-OAHLLOKOSA-N 437.565 5.214 0 40 IKAB O=C(Cn1c(=O)sc2cccc(Cl)c21)OCc1ccc(COc2ccccc2)cc1 1070071 YUYYLAFSLIKOTL-UHFFFAOYSA-N 439.920 5.039 0 40 IKAB CC(C)CCN(CCCNc1c2c(nc3ccc(Cl)cc13)CCCC2)CCC(C)C 1640931 SGVIRPUDACHDRW-UHFFFAOYSA-N 430.080 6.963 0 40 IKAB CCCc1nc2sc3c(SC/C=C(/C)Br)ncnc3c2c2c1CCCC2 1824884 RSIMSGDWFLIAPC-XFXZXTDPSA-N 448.455 6.462 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccc(Cl)cc1 1832411 ODTLWDFVIYINID-UHFFFAOYSA-N 448.902 6.026 0 40 IKAB biogenic Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2214002 ZOPGEBDCMXSBNF-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 2411837 GHUQECSKRMUQIM-ZDUSSCGKSA-N 447.387 6.894 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 2626693 HYMHBFPUHQIJJC-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NC4CCCCC4)ncnc32)c1 2714863 DWLVMZXZUXQFRP-UHFFFAOYSA-N 436.481 6.851 0 40 IKAB O=c1c2c(nc(SCc3c(F)cccc3Cl)n1-c1ccc(Cl)cc1)CCS2 2720023 SXNXGNUOVKDZMM-UHFFFAOYSA-N 439.364 5.619 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=S)NC(=O)c2cccs2)c1 3225522 YCENWQOXRCMFEI-UHFFFAOYSA-N 449.479 5.146 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2ncc(C(F)(F)F)cc2Cl)c2ccc(C)cc2)cc1 3308064 TVSUBGKAJXMXII-HXUWFJFHSA-N 435.898 7.087 0 40 IKAB Cc1nc2ccccc2nc1CSc1nnc(-c2cccnc2)n1[C@H]1CCCC[C@H]1C 3477761 BOFGHVOFHNWQFH-ZHRRBRCNSA-N 430.581 5.635 0 40 IKAB O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)NCc1ccc(Cl)cc1 8672466 ICULCQQZFHRFJH-UHFFFAOYSA-N 441.969 5.005 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c1 8686778 VQFBOROBJWIWMI-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1ccc(OCCCn2cnc3sc(C(=O)Nc4ccccc4C)c(C)c3c2=O)cc1 8717787 GGLNPYWJFITRFI-UHFFFAOYSA-N 447.560 5.105 0 40 IKAB Cc1c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cccc1-c1nc2ccccc2s1 8781029 FCYJIJSSUOYOTJ-ZRDIBKRKSA-N 439.367 7.230 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccccc1F 8871481 VMRZVBWITPKRAE-HXUWFJFHSA-N 443.522 5.555 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)c1 8927833 KEQGRVXOSQAORA-GDLZYMKVSA-N 439.555 5.190 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1Nc1ccc(OCc2ccccc2)cc1 8986063 BKNWBZBEQTWBCM-PIKZIKFNSA-N 434.539 6.593 0 40 IKAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1 9086226 PLQBGFGWLMLZNX-UHFFFAOYSA-N 432.523 6.998 0 40 IKAB Clc1ccc(CSc2nnc(-c3ccc(I)cc3)o2)cc1 9200213 UKDLJPFWKKWAIG-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB COc1cccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccc(Cl)cc2)c1 9309201 GTZWWNAPIVTHKZ-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)c1)c1cccs1 9514857 YIOTZMKEVLNJPS-SFHVURJKSA-N 433.558 5.587 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 9543367 HKNQPFPTNIXFRE-UHFFFAOYSA-N 447.991 5.430 0 40 IKAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(OC(F)(F)F)cc3)n2)cc1 9592546 FCOUZUPWIWMWMV-UHFFFAOYSA-N 435.427 5.310 0 40 IKAB CCc1ccc(NC(=O)CS[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 9613310 RWFJYIZDPRQDKW-OAHLLOKOSA-N 449.601 5.647 0 40 IKAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1ccccc1Oc1ccccc1 9781625 HVYUPMWPXKGOAK-UHFFFAOYSA-N 440.480 5.961 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nc(-c3ccccc3)no2)n1C1CCCC1 9796329 KPOGETZXNCTSCN-UHFFFAOYSA-N 437.956 6.056 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 9829762 GJYAHOPTKMPLKH-UHFFFAOYSA-N 429.954 5.570 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cnn(-c4ccc(C)cc4)c3C(F)(F)F)sc2c1 9836571 SNNHJLVTEHHQIN-UHFFFAOYSA-N 446.454 5.460 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)cc(Cl)c3)cc2C)cc1 10314597 FUWZDQALJOMLHZ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)OCc2ncc(-c3ccc(F)cc3)o2)cs1 10574534 SWVDIMMGJMCJJM-UHFFFAOYSA-N 440.521 5.895 0 40 IKAB O=C(CCc1csc(NC(=O)c2ccccc2)n1)Nc1nc2ccc(Cl)cc2s1 11835418 PBKDCOSYLDYGDA-UHFFFAOYSA-N 442.953 5.230 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccccc4C)ccc3c2=O)cc1 11865231 WNDRUPVOTFGTEU-UHFFFAOYSA-N 440.417 6.375 0 40 IKAB biogenic CCN(CC)C(=O)Oc1ccc2oc(=O)c(-c3ccc(Br)cc3)c(C)c2c1 11866281 YLSKVTHWPQIXFI-UHFFFAOYSA-N 430.298 5.372 0 40 IKAB biogenic Cc1nc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n(C[C@H]2CCCO2)c1C 12520280 GUGODZQJMVYKKE-CYBMUJFWSA-N 448.803 5.370 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(COc3ccccc3F)n2-c2ccccc2)n1 12528354 KSDTUVJCTVKXPU-OAHLLOKOSA-N 439.516 5.174 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)NC2CCCCCCC2)c(C(C)(C)CC)c1 12567086 GFYZASMRWDMFOW-UHFFFAOYSA-N 429.689 7.450 0 40 IKAB O=C(CNc1cccc(NC(=O)c2ccco2)c1)Nc1ccc(Oc2ccccc2)cc1 12609867 OBAYFEMJMJMAFI-UHFFFAOYSA-N 427.460 5.375 0 40 IKAB CCCc1ccc(-c2csc(NC(=O)/C=C/c3cc4cnn(C(C)C)c4[nH]c3=O)n2)cc1 12898187 AXJYNQKYNNHXKN-ZHACJKMWSA-N 447.564 5.033 0 40 IKAB O=C(COC(=O)C1C[C@@H]2CCC[C@H](C1)C21SCCS1)Nc1cccc2ccccc12 13017426 GUFNSTBNXDRQQM-YQQQUEKLSA-N 441.618 5.324 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Br)cc2)o1 13115850 AVAUQVZLYAWONJ-LBPRGKRZSA-N 439.306 5.282 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@H](C)Sc3nnc4[nH]c5ccccc5n34)n2)cc1 13148665 QJLPHFUUYJLUIM-ZDUSSCGKSA-N 448.577 5.016 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Nc1c(NC2CCCCC2)c2ccccc2oc1=O 13364780 WQTZHZNTLQWFOP-UHFFFAOYSA-N 425.916 6.143 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@H](c2ccc(Cl)cc2)OC3=O)cc1 13690247 XILABHKMBLMNDO-JOCHJYFZSA-N 434.879 5.005 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 13759224 HEMKZVZEOYHARJ-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(-c2nnc([C@H](C)Oc3ccc4cc(Br)ccc4c3)o2)cc1 14199742 XFRCSXCAXZIFKJ-ZDUSSCGKSA-N 425.282 5.801 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(C)n3-c3ccc(C)cc3)cs2)cc1OC 15274643 UBRXUAFMAGPETH-UHFFFAOYSA-N 438.578 5.317 0 40 IKAB Cc1cccc2c(C(=O)Nc3ccc(Cl)cc3)cc(-c3ccc4c(c3)OCCO4)nc12 16362494 ZOWPIQRDVGTRDK-UHFFFAOYSA-N 430.891 5.887 0 40 IKAB COc1ccc(-c2cs/c(=N/Cc3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 16957197 AKKSRXFYUQADOU-ORIPQNMZSA-N 439.584 6.050 0 40 IKAB COc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(C)cc4)cc23)cc1Cl 17051574 NBIRORMLMRIXLQ-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 17094575 NQHQQDOLOQTWNJ-SFHVURJKSA-N 425.598 5.227 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccccc1N1CCCC1 17095314 DIACJRYHBMAWSV-CSKARUKUSA-N 427.331 6.506 0 40 IKAB O=C(N/C(=C\c1ccc(Cl)cc1Cl)c1nc2ccccc2s1)c1ccccc1 17176599 RGEMVGXMGBLKBI-UNOMPAQXSA-N 425.340 6.531 0 40 IKAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3nc(SCC)nn32)cc1 17307555 VHCCYOOHPXRUDI-OAQYLSRUSA-N 449.580 5.025 0 40 IKAB CCOc1cc(Br)c(CC(=O)Nc2c(C)cc(C)cc2Cl)cc1OCC 17345947 QNPBNQOUEXFBLZ-UHFFFAOYSA-N 440.765 5.698 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)C[C@@H]3C=CCC3)C1)N2 19083985 XXAFHFMJEJLWAC-VUHPKUFZSA-N 438.538 5.063 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 19645751 XGLBHZMXYPVMCC-UHFFFAOYSA-N 447.391 5.061 0 40 IKAB C[C@H](CN1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1)c1ccccc1 19700180 QCFZTLRUEGWSHE-HSZRJFAPSA-N 441.619 5.265 0 40 IKAB CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C(C)(C)C)C3 19851207 MXDWGGPCECHONE-MRXNPFEDSA-N 426.651 6.346 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 19931360 LMEBMJMCHDYMOE-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140410 GOCUWAZNCFKVDL-UHFFFAOYSA-N 441.842 5.752 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1NCc1ccc(F)cc1 20382510 IVKDKNLXCBJWLO-UHFFFAOYSA-N 444.890 5.611 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 20457960 RITMUFFMDAPEDB-OAHLLOKOSA-N 443.952 6.269 0 40 IKAB COc1ccc(-c2cc3nc(C)cc(N4CCC(Cc5ccccc5)CC4)n3n2)cc1OC 21150340 OACGGVWJYZRSBZ-UHFFFAOYSA-N 442.563 5.181 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)C)cc3)Cc3ccco3)no2)cc1 21524325 CBVGUAQIUGQTQW-UHFFFAOYSA-N 444.531 6.299 0 40 IKAB CCn1cc(C(=O)Nc2c(Cl)cccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236784 AAULCDTXEMQFKZ-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CCCN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1nnc(-c2cccs2)o1 25432010 UOOZHVSRYHYEMM-UHFFFAOYSA-N 449.458 5.279 0 40 IKAB CC(C)(C)c1ccc([C@@]2(O)CN(c3ccc(OC(F)F)cc3)C3=[N+]2CCCCC3)cc1 27525248 PMGCZZTVWFUDTJ-VWLOTQADSA-N 429.531 5.236 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@@H]3C)c(Cl)c2)cc1 30868839 KGUYARIYCJGLQZ-INIZCTEOSA-N 440.952 5.041 0 40 IKAB CCCCOc1ccc(/C=C2\C(=O)N(c3cccc(Cl)c3C)C(=O)N=C2O)cc1OC 35384006 CKLLJOKILUPFOA-VBKFSLOCSA-N 442.899 5.343 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849391 XHPWJBOKMFNLFD-CYBMUJFWSA-N 427.759 5.506 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39763651 UTVLCWBKKORVBA-UHFFFAOYSA-N 441.399 5.253 0 40 IKAB C[C@@H]1Cc2ccccc2N1c1nc2ncn(-c3ccc4ccccc4c3)c(=S)c2c(=O)[nH]1 40385809 MJMIFCGBASSJGB-OAHLLOKOSA-N 437.528 5.074 0 40 IKAB O=C(N[C@H](Cc1ccc(F)cc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 40710586 SPOFFSUHDCOUGW-JOCHJYFZSA-N 439.870 5.014 0 40 IKAB O=C(N[C@@H](Cc1cc(Cl)ccc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 44321724 MHWWPLIFDBSYNY-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB CC(C)(C)[C-]1C=[N+](C(C)(C)C)[P@](=O)(O[P@]2(=O)O[C-](C(C)(C)C)C=[N+]2C(C)(C)C)O1 54387960 JNMYZDQYALOYDU-FQLXRVMXSA-N 448.481 6.199 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cccc(Br)c2)N1c1ccc(Cl)c(Cl)c1 59483698 KOFRCGSUUVOLBB-LJQANCHMSA-N 448.147 6.527 0 40 IKAB CCc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 67294988 TWVKYXQQLITSFW-RWEWTDSWSA-N 448.320 5.637 0 40 IKAB CCc1c(C)nc(-c2cc(Br)c(C)s2)nc1Nc1ccc(CC(=O)O)cc1 71295466 PPZMBSPWXBMUSV-UHFFFAOYSA-N 446.370 5.518 0 40 IKAB CC1(C)[C@H](Cc2cc(-c3ccccc3)on2)C[C@@H]1N(Cc1cccnc1)Cc1cccnc1 72320753 LJTBGJXVJBWGNW-SQHAQQRYSA-N 438.575 5.791 0 40 IKAB biogenic,in-vitro COc1ccc(CCC(=O)N2CCC[C@H](c3cccc(Cc4ccc(F)cc4)n3)C2)cc1 72349360 ASOGCPYYDYOGKU-QFIPXVFZSA-N 432.539 5.159 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)n1 72375630 WBDHVCVRYZLPGC-OAQYLSRUSA-N 435.959 5.182 0 40 IKAB Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2cccc(C)c2)c1 73690831 DYXVGRBOGBAYMH-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)C 102676419 ITBZCTBEJMCLOU-UELMXRNQSA-N 430.610 7.109 0 40 IKAB Cc1cccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)c1C 103005129 CMGGYAOPBJECMM-KGENOOAVSA-N 436.433 5.962 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c(C)n1C1CCCCC1 106682565 CATPYGAIQZIAPZ-BKUYFWCQSA-N 428.985 6.500 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1c(Cl)cccc1Cl 106716501 XAURTQMZGMQPMU-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 222775741 ULZYWLRZOIQTJG-INIZCTEOSA-N 442.968 5.194 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222783232 AUDFOASUQRLHQT-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 222951719 NERSHWJNYCPQPQ-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 223780561 VCPSFERNLCMHOO-HSZRJFAPSA-N 429.004 5.223 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccc(C)cc1 224147166 BUEJINSDIFJJPB-XMMPIXPASA-N 436.577 5.010 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224245813 VXFQKYSLYRESFK-GOSISDBHSA-N 433.017 5.012 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 224363122 FHZDHJOYPDWZAZ-GVXSCFBNSA-N 446.620 5.363 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224386590 JYNDGTTYXGCXKB-SFHVURJKSA-N 449.422 5.342 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 224462612 SLLSZLWQRBZNAV-NRFANRHFSA-N 435.395 5.178 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccco2)cc1 224657701 SYWNUZNKEAFKPM-DNQXCXABSA-N 427.529 5.952 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(Br)ccc1Cl 225071241 LOCMKYOXXYHJIL-UHFFFAOYSA-N 437.120 6.801 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1C 225628690 DMQWJCDALLRQOH-IZLXSDGUSA-N 427.588 6.245 0 40 IKAB Cc1nc2c(c(N3CCC(NC(=O)N(c4ccccc4)c4ccccc4)CC3)n1)CCCC2 238918870 SUHKBQQLFPEBHD-UHFFFAOYSA-N 441.579 5.181 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccsc4)Oc4ccc(Br)cc4[C@H]3C2)cc1 244933109 CBVHLARBEPMQLF-CTNGQTDRSA-N 441.350 5.762 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1ccc(Cl)cc1Cl 253568214 KXVYCBOLTVOLJO-UHFFFAOYSA-N 437.396 5.310 0 40 IKAB Cc1cccnc1Nc1cncc(C2CCN(C(=O)[C@H](C)Cc3cccc(Cl)c3)CC2)n1 257202482 AMBJDXGNCLESQO-GOSISDBHSA-N 449.986 5.162 0 40 IKAB Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(C(=O)C(C)(C)C)CC2)c1 257233286 GOPNAOXDKBPBFA-UHFFFAOYSA-N 434.624 5.384 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257246063 ISHBYYOHUGRHOS-NRFANRHFSA-N 444.560 5.460 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)CC2)n1 257299781 RROCBSAOOVHLJU-UHFFFAOYSA-N 447.489 5.308 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@H]4C)cc3)CCCCC2)cc1 260812560 GGYAFOILQCWBMK-HSZRJFAPSA-N 434.624 6.089 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccccc1 408554467 FADAHHZKOYPXHR-QHCPKHFHSA-N 425.937 5.706 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 408586169 LQUNHRIQJFIIBL-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(Cl)ccc2C)n1 408699962 XUKOJOFIDINRQB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cccc(C(=O)O)c4C)o3)S2)cc1 408786749 MVTDDRDXJBWGGX-NIQJEMAJSA-N 434.517 5.115 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O 408818136 PBAQZDFDJFOEEB-ODLFYWEKSA-N 444.339 6.392 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)ccc1C 409358302 DQLXMBZADXKRSI-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB CC(C)CN(CCC(=O)O)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 585267404 LYBFSBJAUQCQHK-HHHXNRCGSA-N 437.580 5.319 0 40 IKAB O=C(c1cccnc1)N1CCCCCCCNCc2cc(-c3cccc(Cl)c3)ccc21 643574353 RMKMUHQYSLLJFP-UHFFFAOYSA-N 433.983 6.103 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(Cl)c2)cc1 648684 AJCAMWJBQXPVRZ-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 655744 SNRZYVCLLVJEKU-UHFFFAOYSA-N 432.749 5.525 0 40 IKAB O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 673805 JEWKVAYOSXNLFR-YPMHNXCESA-N 442.850 5.216 0 40 IKAB CCc1ccccc1N1C(=O)C(Nc2cccc(OC)c2)=C(Sc2ccc(C)cc2)C1=O 1788419 SRMUBMAEIPGPFJ-UHFFFAOYSA-N 444.556 5.555 0 40 IKAB CCc1ccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1817426 OCJAYDQUPGVXJK-UHFFFAOYSA-N 446.978 6.529 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(COc2ccccc2Br)cc1 2090937 PJUCNHNJDLALKG-JOCHJYFZSA-N 436.349 5.836 0 40 IKAB Clc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c(Cl)c1 2270070 DMHHZAGBNUUFST-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(Cl)c4)c23)cc1 2422291 KFDHTBLYVXLECH-UHFFFAOYSA-N 425.966 6.051 0 40 IKAB CCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2426265 VKJVDKMPRZKDGJ-UHFFFAOYSA-N 437.370 7.311 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2Cl)N2CCCCC2)c1C 2546505 GFAKGLXDDINFCN-QHCPKHFHSA-N 439.024 6.846 0 40 IKAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCCN(Cc2ccc(Cl)c(Cl)c2)CC1 2574893 REFVEZHTYHWQFB-UHFFFAOYSA-N 446.300 5.064 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3cc(Cl)ccc3Cl)n2)c1 2733290 SAEWUNWQDNEDQX-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB O=C1c2ccccc2N[C@H](c2c(Cl)cccc2Cl)N1c1ccc(Br)cc1 2747035 XHZLLPYDOOOFMK-IBGZPJMESA-N 448.147 6.527 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1 2763950 AEUUWUNKKQLEBY-UHFFFAOYSA-N 437.381 6.243 0 40 IKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 3230481 YALVKNBFQNCLLC-HNNXBMFYSA-N 437.914 6.694 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCc3c(Cl)cccc3Cl)sc2c1Cl 3262016 ZSDAKFTYKJGNLS-UHFFFAOYSA-N 436.143 6.881 0 40 IKAB CC(C)(C)NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 3300771 VZJMBHQKTPIOGL-UHFFFAOYSA-N 439.972 5.076 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 3438044 GJIQCFJDGSIYMZ-REWPJTCUSA-N 438.980 5.511 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)ccc1Cl 4109874 RFOKIIQDQDZZQO-UHFFFAOYSA-N 426.866 5.675 0 40 IKAB CCCn1c(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 5155748 XMQSCFMDPFBBLF-IRXDYDNUSA-N 426.561 5.161 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCCC1 6135481 YFBSKRMRXFUQCA-UHFFFAOYSA-N 447.648 6.239 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(C)cccc23)cc1 6601138 PMHLAMZNGYJMKA-UHFFFAOYSA-N 429.545 5.735 0 40 IKAB C[C@@H](c1ccccc1)N(CC[C@@H](c1ccccc1)[C@@H]1CCOC(C)(C)C1)C(=O)c1ccco1 8682750 XQPMDJXRXKQOOF-DFCKQENNSA-N 445.603 6.862 0 40 IKAB COc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)oc1ccccc12 8684846 LDKAMSSVHFWIMX-UHFFFAOYSA-N 445.478 6.457 0 40 IKAB aggregator Nc1nc(CSc2nnc(C3CC3)n2-c2ccccc2)nc2sc3c(c12)CCCCC3 8720614 DHLRTCLOWRCUNX-UHFFFAOYSA-N 448.621 5.293 0 40 IKAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(F)c2)cc1 8810052 ABQBVZOMTGHZMS-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc(OCc3ccccc3Cl)cc(O)c2C(=O)O1 8951987 JZZDETIWJLYTEL-KQEHZQRSSA-N 442.939 6.106 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)cc1 9129773 MWPOQTCGJDLOJI-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB CCCCCCc1cc2cc(-c3csc(Nc4cccc(C)c4C)n3)c(=O)oc2cc1O 9434410 DGVXEWDDUFAGIH-UHFFFAOYSA-N 448.588 7.105 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)no1 9488174 IKWRDPSHYFCSET-LJQANCHMSA-N 441.270 5.454 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 9546564 GCBHCJZSLRZFKP-FQEVSTJZSA-N 443.478 5.278 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)CC2=O)cc1 9581720 WVOKBPWDDYPWBN-INIZCTEOSA-N 425.941 5.072 0 40 IKAB CSc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(F)cc(F)cc3s2)c1 9708684 LRPOJABTYKKDBL-UHFFFAOYSA-N 427.501 5.538 0 40 IKAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1 10059095 KDNQDRMAYQSDGR-AREMUKBSSA-N 433.935 5.218 0 40 IKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 10331736 LFPNSVQPNJWEAZ-UHFFFAOYSA-N 428.576 5.528 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 10449843 DMQQUKWGUSCKMO-PPHZAIPVSA-N 442.584 5.095 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccc(-c2ccccc2)cc1 10616887 WLZOPRVXXSVCOS-QGZVFWFLSA-N 446.551 5.258 0 40 IKAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cc2ccccc2c(=O)o1 11689990 KUIUJOFHVPKZMH-UHFFFAOYSA-N 431.300 5.399 0 40 IKAB Cc1ccc(-c2csc(NC(=S)NC(=O)c3sc4ccccc4c3Cl)n2)cc1 11852719 MHFVHRUGDYSSEF-UHFFFAOYSA-N 444.006 6.113 0 40 IKAB CC[C@H]1CN=C(N(C(=O)Cc2c(Cl)cccc2Cl)c2ccc(C(C)=O)cc2)S1 12996052 MKVRCZGDMJGKSM-INIZCTEOSA-N 435.376 5.653 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3ccc(C)c(C)c3)cs2)cc(OC)c1 13010353 BYRPEZKGAJSMOU-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB CC(C)c1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2F)cc1 13026718 GINKZWJWVLSHFS-RUZDIDTESA-N 448.538 5.989 0 40 IKAB C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 13038344 QSOBKBBDAPDBDC-JTQLQIEISA-N 449.165 5.198 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)OCC(=O)c1ccc[nH]1 13073059 NOLJRROZBCMHDH-OUKQBFOZSA-N 437.455 5.053 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cccc(CN2CCCC2=O)c1 13127263 LNJJZLHMNPAOPE-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(C)n1C[C@H]1CCCO1 13145438 GLECJEMZBXEGOZ-HSZRJFAPSA-N 433.504 5.116 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(OC)cc1 14608092 DFKKGDVDGYKKNS-DEOSSOPVSA-N 441.487 5.164 0 40 IKAB C[C@@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnc(Cl)c(Cl)c1)OCCO3 14903777 ZKVUKFBKPDPBEW-CYBMUJFWSA-N 433.335 5.188 0 40 IKAB Clc1ccc(-n2nnnc2-c2cnn(-c3cccc(Cl)c3)c2-c2cccs2)cc1 16399086 HESUBOPZXDEWQE-UHFFFAOYSA-N 439.331 5.550 0 40 IKAB O=C(C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1cccc(Cl)c1Cl 16899424 YXQKNPHFGXXNAR-ZDUSSCGKSA-N 435.254 5.454 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(OC)cc2OC)nc2ccccc12 17094907 MKGVXSWVKLBXQY-UHFFFAOYSA-N 426.516 6.042 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(Cc5ccccc5)cc4)cc3)sc2c1 17122204 CHRUXTNYKWPOMP-UHFFFAOYSA-N 434.564 7.115 0 40 IKAB C[C@H]1CCCCN1C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18180270 PPLZYILUNULTLE-AWEZNQCLSA-N 429.010 6.100 0 40 IKAB O=C(Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1)c1ccc(F)c(Cl)c1 20728657 BOIOYTNYJHUZKX-UHFFFAOYSA-N 434.902 5.491 0 40 IKAB Cc1ccc(Cl)cc1N1CCN([C@H](C)C(=O)Nc2cc(Cl)ccc2Cl)CC1 21548922 UILMYEAXSGGUHB-CQSZACIVSA-N 426.775 5.104 0 40 IKAB C[C@@H](c1nnc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(Cl)cc1)N(C)C 24297326 YIFDNPHTOCPVSO-HNNXBMFYSA-N 439.972 5.491 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccc(F)cc4)ncnc3[C@H]2C2=C1CCC2 26960017 NXDVBQMZXBFQBS-DENIHFKCSA-N 425.598 6.549 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@H](C)Oc3ccccc3Cl)n2)cc1 32622887 YUSOTGWIGLUEEO-HNNXBMFYSA-N 449.894 5.472 0 40 IKAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 32624640 NFMQRWNVXQTOPV-UHFFFAOYSA-N 433.489 5.225 0 40 IKAB NC(=O)Cc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4Cl)o3)n2)cc1 32832408 YTXAHZMOGVPJNI-UHFFFAOYSA-N 437.908 5.004 0 40 IKAB O=C(OCCOc1ccc(Cl)cc1Cl)c1cc(-c2ccco2)nc2ccccc12 32910009 GRZKJHRDGWSUCF-UHFFFAOYSA-N 428.271 6.037 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33271997 DFDBZQDZHSLAGR-UHFFFAOYSA-N 446.450 5.072 0 40 IKAB COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc(Cl)c1 34746382 NNSRSFWJVOMXKO-JOCHJYFZSA-N 443.330 5.098 0 40 IKAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 35039666 BVVIMSOOXKTIMA-MOSHPQCFSA-N 425.962 6.568 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@@H]21 36352224 COEVEHAWLCVMMA-DHLKQENFSA-N 434.923 5.990 0 40 IKAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c1 39748626 CHFUPELMJXOQBC-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB COc1ccccc1Nc1nc(-c2ccccc2)c(CC(=O)Nc2c(C)nn(C)c2C)s1 40058920 VOIKYQYWRTVBRK-UHFFFAOYSA-N 447.564 5.094 0 40 IKAB O=S(=O)(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(Oc2ccccc2)cc1 44846944 HAMWTDVQNWQOMR-UHFFFAOYSA-N 428.724 6.240 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)C(Cl)(Cl)Cl)cccc2c1Cl 57313822 SWDIZPNQILLQPV-UHFFFAOYSA-N 428.168 5.392 0 40 IKAB Cc1cc(Br)ccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1 59294271 PSVLRQIYUFTGLD-FMIVXFBMSA-N 441.350 5.544 0 40 IKAB Oc1nc(CSc2nnc(Nc3ccccc3F)s2)nc2c1oc1ccccc12 61126225 BHHBGJKUJXLCFS-UHFFFAOYSA-N 425.470 5.108 0 40 IKAB CC1=C(C(N)=O)[C@@H](c2cccc(Cl)c2Cl)N2C(c3ccc(C)cc3)=CSC2=N1 108023765 ZMDGWFQYVLXJHO-LJQANCHMSA-N 430.360 5.519 0 40 IKAB CCC1(CC)C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118927827 NYYBWRGTXVHQCX-FPOVNDJCSA-N 440.756 9.013 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(Br)cc1 214895588 GKWZVBABGOZPIP-RIYZIHGNSA-N 443.149 5.992 0 40 IKAB COC(=O)Cc1ccc2c(c1)CCCN2C(=O)OCC1c2ccccc2-c2ccccc21 217774774 AQVCMUBCRJUBFU-UHFFFAOYSA-N 427.500 5.104 0 40 IKAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 222585258 YABJAODTUDTDGK-UHFFFAOYSA-N 433.870 6.289 0 40 IKAB CCOc1ccc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br 222666382 LIZZUQIHXPNSLI-CCKFTAQKSA-N 432.387 5.222 0 40 IKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355188 CWVYFMHORANMRW-HHHXNRCGSA-N 428.576 5.306 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223806497 XFBYOTNMVMHKBW-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCSc1ccccc1 223836047 XWTDPXWSQXLWJC-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1C 224066217 CLJIZOTXLIKJBL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224181332 NCWCEZDZOXYLKR-JWQCQUIFSA-N 441.556 5.917 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224315065 RKENHPSTBNWKDL-RPBOFIJWSA-N 443.547 6.275 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224614423 SLPUVZDSPJYPDF-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NCC(C)C)cc1 224696550 UJJQUYOCJIULBB-XMMPIXPASA-N 443.031 5.415 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 224807231 RCJGKOOJPJPSIU-LGUFXXKBSA-N 445.006 6.183 0 40 IKAB CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224881175 KMUBKQXCFHJMFT-UHFFFAOYSA-N 427.342 5.800 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1 224950120 FRYIALQAWGFFQA-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224976674 KZDPIATYXXPAKO-MSOLQXFVSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225051977 MLLTYRCVCWOANL-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC2CCCCC2)cc1 225093031 IPNCBNNOFRWFOP-HHHXNRCGSA-N 448.651 5.746 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225299694 RIIFVZDNCVWLDZ-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCC1 225526501 DUVXSKFOHMZWSY-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225555801 IZAYCRINXFJAQE-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 229920042 DHPABJAAWYDUQJ-CHQSNSNVSA-N 427.931 5.973 0 40 IKAB 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)CCc2ccccc2)C1 245240179 OSYGNEOCCSKLON-KEZZCTRTSA-N 438.652 6.325 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCCC2)CC1 257221799 DQODCNWOVPYZAE-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB CCn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 257222477 DTLOZEYPHZNBIU-OAQYLSRUSA-N 428.502 5.287 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[nH]n1 257256853 KNDVUUSVGPZJHI-QGZVFWFLSA-N 426.948 5.004 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@H]4C)cc3)CCCCC2)cc1 260818213 XVGMRQYFNWAWAI-XMMPIXPASA-N 448.651 6.479 0 40 IKAB CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 260949463 XFEFREDSUKETQO-UKILVPOCSA-N 425.016 5.698 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CNc2cccc(Cl)c2)cc1Cl 408557921 QPYSXPBYHMDRCT-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3c(C)cccc3C(C)C)sc2n1 408623320 SIHNVTLHKVLCBC-UHFFFAOYSA-N 440.638 6.088 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccccc3Cl)c2C)cc1 408669806 OTWIBHPUSXMIOG-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(Cl)cc2)cc1 408697653 KNDINYNQULXDBA-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB CCCCCC[C@H](C)Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1OC 408975980 OFWDWHJBJGBDKX-HEQHKCQXSA-N 436.577 5.203 0 40 IKAB Cc1cccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccc(Cl)cc2)c1 409098108 KDHBGLZUXBONPV-UHFFFAOYSA-N 448.979 5.305 0 40 IKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2Cl)cc1 409105493 HZOFLSNKMJUOAE-UHFFFAOYSA-N 439.943 5.822 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409257833 QMJDPGBQLNWLMZ-XMMPIXPASA-N 438.499 5.034 0 40 IKAB CCC(CC)NC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCCCCO2 643579629 FCABMLBTIUBFJM-UHFFFAOYSA-N 448.651 6.113 0 40 IKAB Cc1ccccc1CC(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643581850 DKNINQKYZMPVDX-SANMLTNESA-N 442.603 5.986 0 40 IKAB CN1CCCCCCCN(C(=O)CC2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643584010 HPXGNVUKILGLHW-VWNXMTODSA-N 426.601 5.041 0 40 IKAB CSC1=NC2(CCN(C(=O)c3ccc(F)cc3)CC2)N=C1c1ccc(C(C)(C)C)cc1 1889109035 ZNNNMYQBZNRSIF-UHFFFAOYSA-N 437.584 5.320 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)cc1 751853 CHDIFDCRIFQONB-UHFFFAOYSA-N 433.529 5.850 0 40 IKAB biogenic CCc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 890785 AMBWOWHUDAZDQS-UHFFFAOYSA-N 435.446 5.595 0 40 IKAB CCc1cc([C@H](c2cccc(Cl)c2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298779 WVNOLNHHUSNHJT-QFIPXVFZSA-N 440.996 5.638 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCC(c2nc3ccccc3s2)CC1 1326542 KLYSEOMQFVNRQI-UHFFFAOYSA-N 439.890 6.380 0 40 IKAB Cc1nc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)sc1C 1356099 NFVKKWDMSLVART-UHFFFAOYSA-N 436.562 5.013 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1ccc(Cl)cc1 1363142 MVMVFWFAWLFVTF-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB Cc1ccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2Cl)cc1 1512244 KMLIUESOTNNALX-UHFFFAOYSA-N 439.298 5.202 0 40 IKAB COc1ccc(C2=C(Cl)C(=O)N(c3ccccc3Cl)C(=O)C2(Cl)Cl)cc1 1584233 KTPOKYHIVFWTHU-UHFFFAOYSA-N 431.102 5.046 0 40 IKAB c1ccc(C2C(c3nc4ccccc4o3)C(c3ccccc3)C2c2nc3ccccc3o2)cc1 1584710 NUSKQQYYCDXKQE-UHFFFAOYSA-N 442.518 7.418 0 40 IKAB O=C(C1=NN(c2ccccc2)[C@]2(c3ccccc3)N1CCN2c1ccccc1)c1ccccc1 2049114 PDLHTGODSCGEMA-LJAQVGFWSA-N 444.538 5.336 0 40 IKAB CCCN(CCC)C(=O)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1Cl 2182457 FXKCPDYUXWIPAY-UHFFFAOYSA-N 427.759 6.161 0 40 IKAB CCCOc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 2274166 FBINEUSPSAIGRM-UHFFFAOYSA-N 437.587 6.545 0 40 IKAB O=C(COc1ccccc1)Nc1ccc(Sc2nc3ccccc3s2)c(Cl)c1 2283377 CJGFLNGHUJEYDO-UHFFFAOYSA-N 426.950 6.118 0 40 IKAB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@H](Nc1ccccc1)c1ccccc1 2352643 SOJKJWFQCFBEPQ-URAOTHONSA-N 441.336 6.133 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2Cc2ccco2)c1 2443481 SSBAAGRRQPXQCA-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB CC(C)OP(=O)(OC(C)C)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 2451708 UGNBPKCZFUMXHW-LJQANCHMSA-N 426.291 6.603 0 40 IKAB Cc1c(-c2cccc(Br)c2)c(=O)oc2c(Br)cc(Cl)cc12 2529940 YLPBJFZFZXXAKS-UHFFFAOYSA-N 428.507 5.947 0 40 IKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)C1=C2SC=C(c3ccc(F)cc3)N2CCCC1 3231581 WSLPDRNCDPJNHA-UHFFFAOYSA-N 434.458 6.226 0 40 IKAB CCCCc1ccc2c(c1)[C@@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 3672750 NMIDGHGSVHONLN-FGZHOGPDSA-N 430.386 6.589 0 40 IKAB CC[C@H]1CN(C(=O)Nc2cccc(C(F)(F)F)c2)CC[C@H]1CC(=O)Nc1nccs1 5414845 JJUBYBKHMOXUTO-KBPBESRZSA-N 440.491 5.071 0 40 IKAB biogenic,in-vitro C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@@H](c1ccncc1)O2 6177177 GQBPSVFAWAYQDU-LAJNKCICSA-N 430.291 5.298 0 40 IKAB Clc1ccc2ncc(-c3nnnn3-c3ccc4ccccc4c3)c(-c3ccccc3)c2c1 8445466 CMMIHIUVPIGYHT-UHFFFAOYSA-N 433.902 6.351 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 8686946 LSYBLMBWOGNJQY-GOSISDBHSA-N 438.556 5.276 0 40 IKAB Oc1cccc(-c2csc(N3N=C(c4ccc(Cl)cc4)C[C@@]3(O)C(F)(F)F)n2)c1 8770019 PNCZKIQMJGIGGG-GOSISDBHSA-N 439.846 5.034 0 40 IKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 8871940 WUKVJNDZNLVVGU-UHFFFAOYSA-N 429.538 5.424 0 40 IKAB CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 8873387 DSOFUOUMMAYACG-HXUWFJFHSA-N 428.319 5.574 0 40 IKAB COc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4ccc(F)cc4s3)oc12 8962700 OJLXHVKSTKSUBI-UHFFFAOYSA-N 433.464 5.432 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C1/C=C(c2ccc3c(c2)OCO3)Oc2ccccc21 8995230 CSFQVVSDPOUEQJ-NKFKGCMQSA-N 443.842 5.217 0 40 IKAB Cc1ccc(C)c(-c2nnc(O[C@H](C)C(=O)Nc3ccc4c(c3)OCO4)c3ccccc23)c1 9127583 UNNOIGYDFASUOP-QGZVFWFLSA-N 441.487 5.048 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 9304363 XYAHVIMQWBBBKK-KPAZRMRSSA-N 448.420 5.257 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9309559 LSJLHVSGJZWUKV-UHFFFAOYSA-N 441.600 6.515 0 40 IKAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 9380574 XTTBBDJSRSVIOH-QFIPXVFZSA-N 435.930 6.148 0 40 IKAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)cc1 9433261 LGNTZQIHXXXLLH-XZOQPEGZSA-N 434.561 5.332 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 9513048 XBRDXEHMORTGQB-QGZVFWFLSA-N 428.561 5.482 0 40 IKAB COc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)on2)c(OC)cc1Cl 9597812 IJEIONVZZQCQLK-UHFFFAOYSA-N 437.677 5.027 0 40 IKAB CCCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9606978 GPNJYBVVBBRQPL-UHFFFAOYSA-N 447.648 7.923 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc(C)c1Cl 10014008 KGLKRUYVSXJLAJ-UHFFFAOYSA-N 448.950 6.906 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cncc(Br)c4)cc3)oc2cc1C 10120396 JCVRAKAURUBNQF-UHFFFAOYSA-N 436.309 5.199 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 10233037 VSOJBSCXKKZVPS-QGZVFWFLSA-N 443.311 5.615 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc(OC)c1 12484928 HLFAOLULCYPWBP-UHFFFAOYSA-N 443.551 5.783 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 12528113 KRKIDZCSAUSOJK-HNNXBMFYSA-N 439.972 5.871 0 40 IKAB CC(=O)Nc1cccc(N[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)c1 12554739 XRIRLDRDHLHYRG-NRFANRHFSA-N 427.426 5.456 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl 12679089 FJMGQZDXKLUFSA-SNVBAGLBSA-N 439.393 5.768 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)c1Cl 12919354 LKBVLTOBSAIDQS-HXUWFJFHSA-N 437.417 6.011 0 40 IKAB O=[S@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 12957565 NGDHDYCGGFLVCN-SANMLTNESA-N 425.764 5.691 0 40 IKAB Cc1cc(OCCOC(=O)c2c(C)nn(-c3ccc(F)cc3)c2Cl)ccc1C(C)C 13038138 GKPYZRGMUGBOFP-UHFFFAOYSA-N 430.907 5.641 0 40 IKAB Cc1cccc(C(=O)N2CCc3cc(-c4nc(NC5CCCCC5)sc4C)ccc32)c1 13564918 VZTAUNIEOPJHGG-UHFFFAOYSA-N 431.605 6.374 0 40 IKAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 14162694 UUDBXSBIBXXYFW-IBGZPJMESA-N 442.625 5.638 0 40 IKAB COc1c(C(=O)Nc2nc3c(Cl)cccc3s2)cc2ccccc2c1Br 14272448 MGIUCXOZDNLZQN-UHFFFAOYSA-N 447.741 6.126 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3s2)CC1 14412534 UPPLEGSVJPZXKN-UHFFFAOYSA-N 435.524 5.429 0 40 IKAB Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 16291019 CQYUGFXDMAIPDA-NHCUHLMSSA-N 436.600 5.526 0 40 IKAB O=C(c1ccc(N(c2ccccc2)c2ccccc2)s1)N(c1ccccc1)c1ccccc1 16488041 PLUTXEAMUVBJAZ-UHFFFAOYSA-N 446.575 8.196 0 40 IKAB O=C(O)c1ccc(-[n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)cc1O 16492569 WNLVPYYESHBXIV-UHFFFAOYSA-O 444.510 6.368 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1 16788699 PIOVUUNUWVHTQN-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CCOc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCc4ccccc4)nc32)cc1 16845688 COXXVIFUVWKRPQ-UHFFFAOYSA-N 441.603 5.206 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 17098866 LADMTWGXDTYQDE-KRWDZBQOSA-N 434.502 6.227 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(OCC)c(Cl)c2)cc1 17102798 WJOQBMPPWPJTRR-UHFFFAOYSA-N 438.911 5.157 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccccn3)cc2)C1)C1CCC1 19402665 NVEUZSABFSVOCN-RPLLCQBOSA-N 440.591 5.013 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@@H](c2cccc(Cl)c2)Nc2ccccc2S3)cc1 19645478 MUALGBYQUYFRHU-JOCHJYFZSA-N 446.959 5.989 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)cc3C)cc2)cc1 20062785 CQMWZICJSXOYSF-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(C(F)(F)F)c1 20104702 IZUUEDNNQCVDBU-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CN4CCC(C)CC4)cc3)ccc21 20450520 FSHNVYLLRGZKFU-UHFFFAOYSA-N 425.576 6.299 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCC)c(OC)c2)n2c(nc3ccccc32)N1 20633418 PIYWHAYPZFCGFH-QHCPKHFHSA-N 435.524 5.076 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)nc2c1 21595873 HFMAXYWBTQVZSP-INIZCTEOSA-N 430.504 6.278 0 40 IKAB Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 21596671 XDWZIQIGWXWAML-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB CCOc1c(Br)cc(CN[C@@H](C)c2ccccc2Br)cc1OC 22777548 QWHCTNOFCVIMMU-LBPRGKRZSA-N 443.179 5.470 0 40 IKAB Oc1c([C@@H](c2ccccc2F)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852169 DQCOAWOHLYHKID-HXUWFJFHSA-N 446.507 5.043 0 40 IKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1cccc2ccccc12 27905492 OTQNUIKXYBVHGK-HHHXNRCGSA-N 440.568 6.514 0 40 IKAB Cc1cccc(C)c1NC(=O)CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 28208698 YMWPQXBZMXVZBL-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB CS(=O)(=O)Nc1ccc(Cl)c(C(=O)Nc2ccccc2Sc2ccccc2)c1 30851724 RZLBKJXEQPGACE-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccc(F)cc1 33000561 LAQIHNKWGNCJIP-UHFFFAOYSA-N 427.482 5.012 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Br)cc1 33804089 ZLAMQWBJQCEBGV-UHFFFAOYSA-N 443.197 6.327 0 40 IKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 44856873 QWCIEWWEGQXBRL-VWLOTQADSA-N 444.575 5.143 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)nn12 57316972 CCCDLNHOTKXAJV-UHFFFAOYSA-N 449.923 5.581 0 40 IKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Br)cc2)[nH]n1 57477211 PYJIFACNVGVIBI-UHFFFAOYSA-N 425.113 5.076 0 40 IKAB Cc1nc(Nc2cccc([C@@H]3CCCN3C(=O)c3cc4ccc(F)cc4[nH]3)n2)sc1C 72375495 WTWPMQBTACEYKI-FQEVSTJZSA-N 435.528 5.496 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 100503876 ZNCTWZQIKCQSOU-CIMSBJEKSA-N 433.507 5.119 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100901245 IBKYNEFOMSOAHD-NJYVYQBISA-N 439.298 5.045 0 40 IKAB COc1cccc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 100971934 IAEIIBHELACHGY-RBTNQOKQSA-N 438.527 6.265 0 40 IKAB CC[C@@]1(C(=O)c2ccccc2)[C@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 101034563 UCPJDYCVQGWTTI-CPESWEKQSA-N 446.502 6.005 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102190346 MHPVRNIEPWMZQJ-YHBROIRLSA-N 444.604 5.239 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1Cl 106971313 HVJQVMRMUXYVNC-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCO[C@@H]1C[C@@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 118936681 FEDFCOPSAFXWTA-PGQOSFCTSA-N 428.613 6.164 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 222507281 ZAFJSUPLPRTEFN-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCOC(=O)c1cc(NC(=O)CSCc2ccc(Cl)cc2Cl)ccc1Cl 222727301 MFDRSFBKNAGGQE-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223125999 BSRJILATWSMBCT-QFIPXVFZSA-N 436.640 5.559 0 40 IKAB CCC1(CC)C[C@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 223190464 CTQMRJVHJMQMPM-IBGZPJMESA-N 438.420 6.425 0 40 IKAB COc1ccc(S(=O)(=O)NCc2cccc(Oc3ccccc3)c2)c(Cl)c1Cl 223717609 UXEMOMLWYWICEA-UHFFFAOYSA-N 438.332 5.273 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 224213419 WLODOEKZFOBSRJ-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1C 224257329 OXXNFYVKNDYACM-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)c(C)c1 224733860 JSCVMNPVVQCDGX-JOCHJYFZSA-N 449.422 5.790 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224771433 QMRXQTPEGKPNBV-SANMLTNESA-N 448.582 5.491 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224901840 OHANRASJOIMFBO-UHFFFAOYSA-N 428.444 5.056 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225282608 FVRIBBNVBPNXPS-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1C(C)C 225659245 UIOXOODDGUUTIO-UHFFFAOYSA-N 430.548 5.352 0 40 IKAB Clc1ccc(N2CCOCC2)c(NCc2ccc(-c3ccc(Br)cc3)o2)c1 226240356 MWHDIVPGADMWJR-UHFFFAOYSA-N 447.760 5.811 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3c(C)cc(C)cc3C)sc2n1 408620824 MKTTUDHLTLVXRD-UHFFFAOYSA-N 426.611 5.581 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)cc1-c1ccc2ccccc2c1 408726763 UGUPOLQNEZQETI-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB Cc1cnc(NC(=O)CSc2nnc([C@@H](C)Oc3ccc(Cl)cc3Cl)o2)s1 409006509 KEBQZORYLYCNPO-SECBINFHSA-N 445.353 5.012 0 40 IKAB Nc1c(-c2ccccc2)cnc2c(-c3ccccc3)c(-c3cccc(Br)c3)nn12 409070120 NAXCBLBCIZUHIJ-UHFFFAOYSA-N 441.332 6.075 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N3[C@H](C)CCC[C@H]3C)nnc2-c2ccccc2)cc1 409093828 AOWDRLKLCZKCOC-RTBURBONSA-N 434.609 5.378 0 40 IKAB O=C(Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21)Nc1ccccc1 409100935 VZLRXEBKDSAEEH-UCQKPKSFSA-N 425.513 5.365 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1C 409109540 GYWRTKPJVYGFLI-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(C)c(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 409114097 CDGFKHMJXHOUBJ-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O)Nc1ccc(Cl)cc1 409153741 MKRGGLGRYJNHIK-OVCLIPMQSA-N 441.723 5.322 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccccc3OC(C)C)C2=O)cc1Cl 409345196 KIHTVAMWVNATCF-GRSHGNNSSA-N 444.940 5.111 0 40 IKAB Cc1nc([C@@]2(O)CCCN(Cc3ccccc3)CC2)sc1CCOc1ccc(F)cc1 585260849 XCGGNQGBECOWIH-RUZDIDTESA-N 440.584 5.086 0 40 IKAB O=C(CSCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1cccc(C(F)(F)F)c1 845947 ZBQKMAOPSXWRNG-UHFFFAOYSA-N 436.377 5.035 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccc(C)cc2)c1C 871483 SKHKMJHBUZEZLD-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C[C@@H]1CCCO1 894937 AGIYYPVJAVDYEF-QFIPXVFZSA-N 449.620 5.085 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 928188 FAJCDHZQLQIFIB-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 990060 NHVLJABGKLWMIZ-SANMLTNESA-N 433.935 5.471 0 40 IKAB Cc1ccc([C@H](C(=O)NCc2ccc(F)cc2)N(C(=O)c2ccco2)c2ccccc2)o1 1353831 JOFRIQAXUJDZJZ-HSZRJFAPSA-N 432.451 5.025 0 40 IKAB CC(=O)Nc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 2145623 JSABYJROIMKRQN-UHFFFAOYSA-N 449.765 6.796 0 40 IKAB COc1ccc([C@]2(C)CC(C)(C)N(C(=O)/C=C/c3ccc(Cl)cc3)c3ccccc32)cc1 2202703 LFCGNUNKVAVJSX-YAYTYNBKSA-N 445.990 6.883 0 40 IKAB Cc1cc(C)c2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)cc(=O)c2c1 2442531 CNEITDSFFBMTGC-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2cccc(C(F)(F)F)c2)c1 3041264 DYXSQTOZHNRXPT-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134474 IJUDJBGJMXZFQD-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB O=C(Nc1ccc(Br)cc1)/C(=C\C=C\c1ccccc1)NC(=O)c1ccccc1 3187396 KLNCCBURIRQLPC-QNUVFLEMSA-N 447.332 5.415 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)c2ccc(Br)cc2)c1C 3220065 LMQAOTQCYQPSGC-UHFFFAOYSA-N 438.321 5.849 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cc(-c2cccs2)nn1-c1ccccc1 3325125 WCDWQVZISOFBDN-UHFFFAOYSA-N 429.423 5.752 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4ccccc4F)n3C3CCCCC3)cc(=O)oc2c1 3354974 FXGZMNXYWXSUKD-UHFFFAOYSA-N 449.551 6.297 0 40 IKAB C[C@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 3504734 ZNJBEKGAJSBQSB-HNNXBMFYSA-N 441.405 5.120 0 40 IKAB Cc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)s1 3643662 PVDKVADTGCHNJX-LJQANCHMSA-N 431.517 5.000 0 40 IKAB O=C1C[C@H]2CCCC[C@H]2C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5385366 PDNQXLXVLOVBBG-WEWMWRJBSA-N 440.583 7.098 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6301268 KVMRHWIPRKHNRS-FQEVSTJZSA-N 447.648 5.915 0 40 IKAB Cc1ccc(-c2cs/c(=N\c3ccc(F)cc3)n2Cc2ccc3c(c2)OCO3)cc1C 8590696 NKTJNXJWBRCULT-RFBIWTDZSA-N 432.520 5.982 0 40 IKAB Oc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@](O)(C(F)(F)F)C2)c1 8711548 QWWKCFNIWWKIDG-GOSISDBHSA-N 439.846 5.034 0 40 IKAB Cc1ccc(-c2csc(N3N=C(/C=C/c4ccccc4O)C[C@]3(O)C(F)(F)F)n2)cc1 8754007 RUXJPFUGZHMURD-ZJVMWOEPSA-N 445.466 5.355 0 40 IKAB O=C(/C=C/c1ccc(OCCCF)cc1)n1ccc(-c2ccc(OCCCF)cc2)n1 8781793 UQZQASPTDMYICK-LFYBBSHMSA-N 426.463 5.381 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)sc2c1CCCCC2 8832476 PAZDZIBRKSZUPA-UHFFFAOYSA-N 449.359 5.935 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(F)cc3Cl)o2)cc1 9111663 CZAJGOCBWAEFTN-CYBMUJFWSA-N 448.951 5.495 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 9129774 OKRNRQYBLXVDGI-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic CCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260680 LBYVOXXUBNXSEX-LJQANCHMSA-N 432.574 5.750 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 9309227 ACMGWCNRVCGBEY-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1ncc(Cl)cc1Cl 9373325 HCQNJVBSCHEFOZ-UHFFFAOYSA-N 447.372 5.791 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2SCCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9416535 YKXFYRCUVARAQD-UHFFFAOYSA-N 444.644 6.568 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1Cl 9496487 FZLMFGSVZPXMLY-QFIPXVFZSA-N 449.963 6.094 0 40 IKAB COCc1c(C(=O)OCC(=O)Nc2c(C)cccc2C(C)C)sc2cccc(F)c12 9514223 SZCJICFZUUSVDC-UHFFFAOYSA-N 429.513 5.414 0 40 IKAB O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1cc2ccccc2o1 9534480 RPDFDCGVSIFDKI-MRXNPFEDSA-N 436.514 5.091 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)CSc3nnc(C4CC4)n3C3CC3)n2)cc1C 9815731 QYGMDIKGBNHSLL-UHFFFAOYSA-N 439.610 5.270 0 40 IKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc2ccccc2c1 12344349 LUXIKIOPLGLGCD-YBFXNURJSA-N 440.318 5.544 0 40 IKAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12447779 GBCUIBKOHUTPJW-XMMPIXPASA-N 434.948 5.128 0 40 IKAB CN(C)c1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3c2ccc2ccccc32)cc1 12485671 ZBFHEXOHWGFVIR-UHFFFAOYSA-N 446.598 6.637 0 40 IKAB COC(=O)c1cc(-c2csc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)c[nH]1 12844648 VPTUBKXJBYVCEL-HXUWFJFHSA-N 449.557 5.397 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1 13074136 VFUGZCXAEIJKKR-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB COc1cccc([C@@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC 13518288 QFGOUAAQXADPFZ-FQEVSTJZSA-N 425.488 5.031 0 40 IKAB COc1cccc(Cn2nc(C)c(NC(=S)Nc3cccc(C(F)(F)F)c3)c2C)c1 13755170 GPNNBAOTMPPZCE-UHFFFAOYSA-N 434.487 5.385 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 14396795 BGWHJTHEPOITMA-PMACEKPBSA-N 444.575 5.881 0 40 IKAB O=C(c1ccccc1)[C@@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4ccccc4c3)=NN12 15227308 UZPDVSAKHDABOA-SQHAQQRYSA-N 438.914 6.246 0 40 IKAB Cn1ncc2c(Nc3ccc(Cl)cc3)nc(N3CCC(Cc4ccccc4)CC3)nc21 15682341 JDSSXNCRDFZJFV-UHFFFAOYSA-N 432.959 5.219 0 40 IKAB COc1ccc(C2=Nc3ccccc3N(C(=O)c3ccc(C)cc3)[C@@H](c3ccccc3)C2)cc1 15906596 ZBRBDUITJXXVIL-GDLZYMKVSA-N 446.550 6.916 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 16019567 LYMAABPLKPCYQR-UHFFFAOYSA-N 448.573 5.356 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(C2SCCCS2)cc1)c1ccc(Cl)cc1 16262751 VKPLTQFOOHUVPY-LJQANCHMSA-N 444.025 5.462 0 40 IKAB COc1c(C(=O)Nc2ccc(Cl)c(Cl)c2)cc2ccccc2c1Br 17094250 YMLMWAXZQQYTEP-UHFFFAOYSA-N 425.109 6.170 0 40 IKAB C[C@@H](Sc1nnc(NCc2ccco2)s1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 17983716 ZYLIZKWIAHXHFL-CYBMUJFWSA-N 444.582 5.091 0 40 IKAB CCn1c2ccccc2c2cc(CN3CCN(Cc4cccc(OC)c4OC)CC3)ccc21 19369749 AHLTXGYXZMGAOA-UHFFFAOYSA-N 443.591 5.149 0 40 IKAB CC(C)Nc1n[nH]c2nc([C@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)c12 19742331 QUYPKKFWZMSKBM-HNNXBMFYSA-N 437.510 5.083 0 40 IKAB Clc1ccccc1-c1nnc(CSc2nc(-c3ccc(Br)cc3)n[nH]2)o1 19927930 YICHBUDULIHDQG-UHFFFAOYSA-N 448.733 5.230 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20111713 HKLSDPYOGIYBDL-UHFFFAOYSA-N 442.968 5.518 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578800 PLXHXUQBDULTCY-IBGZPJMESA-N 428.532 6.850 0 40 IKAB O=C(CCC(=O)OC1CCCCCCCCCCC1)Oc1ccccc1-c1ccccc1 22002614 BOHLPWALUATRIZ-UHFFFAOYSA-N 436.592 7.256 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 22772576 KFAVMPTWYGEZDS-UQNNOOFXSA-N 425.576 5.012 0 40 IKAB O=C(c1cccc2ccccc12)n1nc(-c2cccnc2)nc1NCc1cccc(Cl)c1 27564020 LFBPCQXMVOGVFQ-UHFFFAOYSA-N 439.906 5.447 0 40 IKAB CCN(C(=O)COc1ccc(OC)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993112 HFNRXEJBQQCPRW-HHHXNRCGSA-N 444.531 5.202 0 40 IKAB O=C(Nc1ccc(Br)cn1)c1cc(-c2ccccc2)nc(-c2ccccc2)c1 30947700 GXAPQZBHCHVEFX-UHFFFAOYSA-N 430.305 5.825 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCC(C)CC3)cc2)c(Br)c1 32125280 USXJYRXCHFZBOZ-UHFFFAOYSA-N 431.374 5.320 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(Cl)nc2c1C 35289726 LTDDKIGYVQYOOE-UHFFFAOYSA-N 448.906 5.669 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(OC(F)F)cc3)C[C@H]12 35982251 PXDOMWMSMCFAEF-JJJNMGPISA-N 444.562 6.254 0 40 IKAB Cc1nc(NC(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(Cl)cc1Cl 36772858 BEYISVQAEIELHJ-UHFFFAOYSA-N 443.406 5.404 0 40 IKAB CCc1cc2oc(=O)cc(CSc3nnc(Cc4csc(C)n4)o3)c2cc1Cl 36827879 KVKLKSOHWQYQIN-UHFFFAOYSA-N 433.942 5.040 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 40717530 WGZWOCFNINUELR-UHFFFAOYSA-N 441.575 5.301 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1C 46085297 JUXPZWQHHZVOOI-HHHXNRCGSA-N 433.555 6.525 0 40 IKAB COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1ccc(C)cc1 48989214 IAIOJKNOJYAJGV-UHFFFAOYSA-N 448.544 5.363 0 40 IKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccccc1Cl 67258528 ZVSJGIAJEBCVHZ-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB COC(=O)c1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1 67294500 BDVHIKCZEJIZKE-VYIQYICTSA-N 432.863 5.358 0 40 IKAB CC(C)(C)c1nc(CC(=O)N2CCCC[C@H]2c2ncc(-c3cccc(F)c3)[nH]2)cs1 79045896 BLBODZPUUVYEAO-IBGZPJMESA-N 426.561 5.266 0 40 IKAB C[C@@H](CNc1nc(-c2ccccc2)nc2nc(-c3ccc(Cl)cc3)oc12)N1CCCCC1 80345955 XKMYZHFQZAFWFR-KRWDZBQOSA-N 447.970 5.892 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 83315461 QTXBJDPCBHSZTO-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCCCC1 95471188 AAODXAYTCVBOAQ-UHFFFAOYSA-N 431.433 5.631 0 40 IKAB COc1ccccc1-c1ccc(CN2C[C@@H]3CCC[C@@H](C2)C3(O)c2ncccc2C)cc1 100149244 IFKPXCPICQIXMF-ZEQRLZLVSA-N 428.576 5.185 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 100503857 FXOXRVIAADCBDS-CNXCYTMISA-N 437.926 5.764 0 40 IKAB C[C@H]1CC2=Nc3ccccc3N(C(=O)COc3ccccc3)[C@H](c3ccco3)C2=C(O)C1 102602384 YRJQLCBYFLJOIC-MRDQGFSESA-N 428.488 5.761 0 40 IKAB N=C1C(c2nc(-c3ccc(Cl)cc3)cs2)=C(O)CN1c1ccc2c(c1)OCCO2 102719192 MVZBGEKCHCHTIW-UHFFFAOYSA-N 425.897 5.001 0 40 IKAB Cc1cc(C)cc(/N=c2/scc(-c3ccc(OC(F)F)cc3)n2C2CCCCC2)c1 102962706 PKEMAOVVAZCYEM-SOYKGTTHSA-N 428.548 7.172 0 40 IKAB COc1ccc(N/C=C2/C(=O)N(c3ccc(C)cc3C)C(=O)c3ccccc32)cc1Cl 103004408 CLTDGIANFKFSSN-XSFVSMFZSA-N 432.907 5.605 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 108045710 ZFGOPZRZCJIWRT-SFHVURJKSA-N 449.407 5.541 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)F)/C(=C/c1cccs1)NC(=O)c1ccccc1 215728583 WROBEKOTLBYAJO-LGMDPLHJSA-N 432.423 5.056 0 40 IKAB Cc1ccc(CSCCNC(=O)COc2ccc3ccccc3c2Br)cc1 218902203 MIGMBTSDGGZGGQ-UHFFFAOYSA-N 444.394 5.339 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 222592170 MELVRIQXRNAPAF-HSZRJFAPSA-N 445.003 5.174 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222809219 XVRAKXHGWUFAOK-LJQANCHMSA-N 445.003 5.139 0 40 IKAB C[C@H](C(=O)NCc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 222841893 IPWWSOBHKCGADR-HXUWFJFHSA-N 434.967 5.006 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 223078620 YZPLQJYHLZDNJN-KRWDZBQOSA-N 448.950 5.433 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1C(C)C 223349403 GURDBURKLOWALV-LJQANCHMSA-N 443.031 5.870 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccccc1 223370521 QEQOUURWBSKWNI-MSOLQXFVSA-N 430.396 5.078 0 40 IKAB Cc1ccc(CN(C(=O)CCSCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223812451 DLABRHUQMJGRJY-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(CSc2ccccc2)cc1 223954824 CEHXHGYHEHSFEB-SANMLTNESA-N 431.601 6.654 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224052586 QYEYENLSMYVFMO-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 224059800 UVNWQLFRCDWMRS-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1 224262107 XXYHDQWVCOKUMM-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1CSc1ccccc1 224330971 QAGQJCMXZIVLPI-UHFFFAOYSA-N 441.552 7.032 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc(Cl)c(C)c1 224544446 PNISKSLPBHVAKE-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB C[C@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC2CCCCCC2)n1 226010536 NASDFKWRIRCDRV-IBGZPJMESA-N 444.693 5.245 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccnc2)CC1 257222809 DUTQJYABUGDWPE-UHFFFAOYSA-N 445.582 5.239 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)CC2CCCCC2)CC1 257268025 MJYCFTYESMNZJI-UHFFFAOYSA-N 446.635 5.564 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCc4cccc(Cl)c4)C3)nc2)c1 257339725 ZCXUSPRJRCYRRN-HSZRJFAPSA-N 448.994 5.673 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 263600310 JVYYINJWLIGZGB-SRJQOMICSA-N 426.729 8.767 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(C(F)(F)F)c2)cc1 408674753 CCKCOBGKWQZZTQ-UHFFFAOYSA-N 438.405 5.455 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)cc1 408696202 XQMSZFYHFBATFJ-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)c(C)c1 408696259 YUVBNRSZGGDZIB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(Cl)cc2)c1C 408697552 HRJVMZVLAXIDKO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cccc(C)c2C)n1 408699016 QWXUBJNBMGTYEP-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 408774195 BVDLQJJXJOAZRT-VNSJDZJPSA-N 438.637 6.149 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 409141911 JQHKJJHDRYOJPF-SFQUDFHCSA-N 436.260 7.192 0 40 IKAB CN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)C1=O 409189845 UFHRUPMRWFZXOC-GIDUJCDVSA-N 446.117 5.402 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@@H]21)c1ccccc1 409369848 ZYQMEKBZNSPNJD-NBJYBMASSA-N 443.852 5.754 0 40 IKAB O=C1NCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccccc2F)CC1 1615528600 ADFVQPSCVLLJKO-HHHXNRCGSA-N 443.566 5.147 0 40 IKAB Nc1c(C(=O)Nc2nc(-c3ccccc3)cs2)sc2nc3c(cc12)CCCCCC3 691649 MRLQOZGLAJXOKL-UHFFFAOYSA-N 434.590 5.913 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C 797193 QYWZBVFNLPJBNN-FQRUVTKNSA-N 442.559 6.009 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Oc1ccc(OCc2ccccc2)cc1 848231 GYBBROQAADATQU-UHFFFAOYSA-N 436.464 5.152 0 40 IKAB O=C(C[C@@H](Sc1cccc2cccnc12)c1ccc(OC(F)F)cc1)c1ccco1 1098202 SOHASHHVCVTIFD-OAQYLSRUSA-N 425.456 6.536 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2)cc1 1463935 PNXWFPYPAHFNFC-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic Cc1nc(N)nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)c1-c1ccc(Cl)cc1 1618426 QDCQXAIWXUJSDW-UHFFFAOYSA-N 434.849 5.278 0 40 IKAB Cc1cc(Oc2nc(Cl)nc(C(Cl)(Cl)Cl)c2Cl)cc(C)c1N(C)C 1757518 ZOEXQGKBNHYXPL-UHFFFAOYSA-N 429.562 6.085 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(Cl)cc1 2298492 KOAJFYDTOHBNJU-DEOSSOPVSA-N 444.922 5.723 0 40 IKAB Cc1cc(Cl)ccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2308638 PVAAMEYQKHCRCD-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB O=C1[C@@H]2C(c3ccccc3)(c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccc(Cl)cc1 2312703 AEVLUTIKJJHCAL-IRPSRAIASA-N 449.937 5.767 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2 2348369 VMUXNXMCLUXXCT-UHFFFAOYSA-N 438.681 7.141 0 40 IKAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccccc2C)cc1 2447219 GQJWIXZSHSVYNS-UHFFFAOYSA-N 431.561 5.764 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)cc1 2497202 XFVCHWBOQWYFTR-UHFFFAOYSA-N 435.501 5.305 0 40 IKAB Cc1c([C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)[nH]c2ccccc12 2553895 JBCXHZNYTVYPHZ-DEOSSOPVSA-N 447.332 5.022 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccc5c(c4)OCO5)ncnc32)c1 2974727 HZRMRYNAMFHCKQ-UHFFFAOYSA-N 434.499 5.737 0 40 IKAB S=c1nc(-c2ccccc2)n(CCC(c2ccccc2)c2ccccc2)c2c1CCCC2 3230470 MGRAZQDIPJZMRX-UHFFFAOYSA-N 436.624 7.381 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1cccs1 3234509 ADYGRRHUMQCKPJ-UHFFFAOYSA-N 445.544 5.520 0 40 IKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1ccccc1-c1ccccc1 3281071 OKTYKQZBQJRTGC-UHFFFAOYSA-N 434.706 6.109 0 40 IKAB O=C1C[C@H](Sc2nc(-c3ccccc3)cs2)C(=O)N1c1cc(Cl)cc(Cl)c1 3296720 IBNOLKNERLJVEQ-INIZCTEOSA-N 435.357 5.541 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@@H]3CCCC[C@H]3C)cc(=O)oc2c1 3365643 YHGDNZZBCVIOSX-DYESRHJHSA-N 446.576 5.798 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109844 OYGNGOGQJHRDRQ-UHFFFAOYSA-N 428.454 6.110 0 40 IKAB Cc1cc(C)cc(OC[C@H]2[C@@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 4773622 GFOMBTVDBJDWDJ-ZCYQVOJMSA-N 435.951 5.795 0 40 IKAB O=C1CC(c2ccccc2)(c2ccccc2)c2cc(-c3ccccc3)c(-c3ccccc3)cc21 5203210 OQBGXJKIUXSGTL-UHFFFAOYSA-N 436.554 7.941 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2S[C@H](C)C(=O)Nc2ccccc2)cc1 6280290 WKESQNOLJQQHQA-LJQANCHMSA-N 444.560 5.274 0 40 IKAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1 9404435 XGLNPVHTVANAIS-UHFFFAOYSA-N 427.529 5.972 0 40 IKAB O=C(Nc1ccccc1Cl)C(=Cc1ccc(O)cc1)C(=O)Nc1ccccc1Cl 9467333 ZUTGUTPNYQVQQU-UHFFFAOYSA-N 427.287 5.360 0 40 IKAB CC[C@@H](C)n1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 9477228 FIJVWICNZOICOT-CYBMUJFWSA-N 426.929 5.363 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc2ccccc2o1 9518346 PNMRMJPFXCMJBI-UHFFFAOYSA-N 440.455 6.082 0 40 IKAB COc1cc(C)c(NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1OC 9575522 AERVWINWFNQIKZ-UHFFFAOYSA-N 433.533 5.238 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccc2c(c1)OCO2 10040978 HOKJTDJIRZYUJI-UHFFFAOYSA-N 442.858 6.282 0 40 IKAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1cccc(Cl)c1)C3 10156937 SGSILGRKDXDYHD-OAHLLOKOSA-N 437.330 5.573 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3C[C@H]2C)cc1 10326660 JSUAFQDHKNPSCL-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CSc2nc3ccccc3o2)cs1 10962794 SAMMAEGGJOEDHD-UHFFFAOYSA-N 449.479 6.280 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(C)c1Cl 11916662 JATMSTVECORNLH-INIZCTEOSA-N 428.985 5.740 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(Br)cc3)o2)nc2ccc(Cl)cc12 12042420 UKKRZPPFPBNRKY-UHFFFAOYSA-N 428.669 6.276 0 40 IKAB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccn2c1C(=O)c1cccs1 12342095 PLUMRDJUBHFSFK-UHFFFAOYSA-N 430.316 5.373 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1 12564672 WZDXISCNISOGQH-JCMHNJIXSA-N 431.451 5.630 0 40 IKAB C[C@H](NCc1cn(-c2ccccc2)nc1-c1cccs1)c1ccc(-n2ccnc2)cc1 12648109 BRVSVTFBRMTSJV-IBGZPJMESA-N 425.561 5.637 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCC(=O)N(C)c1ccccc1 12650118 GDASYWZYXTXQQA-UHFFFAOYSA-N 444.918 5.683 0 40 IKAB CC[C@H]1CCc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cc2C1 12796997 OXYVGMZCIVUXNL-LBPRGKRZSA-N 425.381 5.281 0 40 IKAB O=C(CSc1ccccc1)OCc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 13130545 DTISBOJWOLOVII-UHFFFAOYSA-N 434.948 6.028 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccncc1)C(=S)NCCc1ccccc1 13283368 LHJJGCLHTWJGNH-UHFFFAOYSA-N 446.595 5.172 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628584 BJFTUCSUUGVVJV-UHFFFAOYSA-N 430.548 6.276 0 40 IKAB O=c1c(-c2ccccc2)c(-c2ccccc2)o/c(=N\C2CCCCC2)n1C1CCCCC1 13802046 PNKSGAGUBYDKSH-ZIADKAODSA-N 428.576 6.514 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)c(C)c3)cc2)cc1 14154563 XMZHMEAGLHIHRE-UHFFFAOYSA-N 426.379 6.611 0 40 IKAB Cc1cc(C(=O)NCCCNC(=O)c2cc(C)oc2-c2ccccc2)c(-c2ccccc2)o1 15022488 ZRNVBPDEAHUIII-UHFFFAOYSA-N 442.515 5.373 0 40 IKAB Clc1ccc(C2=Nn3c(nnc3-c3ccc4c(c3)O[C@@H](c3ccccc3)C4)SC2)cc1 15083115 WYPSVJZMLKIFRQ-OAQYLSRUSA-N 444.947 5.633 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 15669774 FWRZTRYJECAOFG-UHFFFAOYSA-N 440.575 5.044 0 40 IKAB Cc1c(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)oc2ccccc12 16266659 UGTXENPLLUENHI-UHFFFAOYSA-N 437.282 7.109 0 40 IKAB Cc1cccc(C)c1NC(=O)c1c(C)c(C)c(C(=O)Nc2c(C)cccc2C)c(C)c1C 16362313 MYFVRSWHODRJHY-UHFFFAOYSA-N 428.576 6.659 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)c3ccc(Cl)cc3)c2=S)cc1 16769120 JQRGWEBEYFOAKQ-UHFFFAOYSA-N 449.963 5.827 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 17094730 UWTPPQFXADHAKL-UHFFFAOYSA-N 426.303 6.106 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(F)cc2)Nc2ccccc2S3)cc1 17096923 NQTHHMOVWIUFCK-QFIPXVFZSA-N 430.504 5.475 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)ccc4o3)c(O)c2)c1 17097549 MGGPOVADELQHSF-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 17097789 WJXKVAAIVQUDMT-UHFFFAOYSA-N 432.147 6.292 0 40 IKAB COc1ccccc1-c1nn(Cc2cc(C)ccc2C)c(-c2ccccc2OC)c1Cl 17098261 NMHJWEMRGQYWCM-UHFFFAOYSA-N 432.951 6.553 0 40 IKAB Cc1cc(C)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c(C)c1 17098344 WFSJXVORVSHFBZ-UHFFFAOYSA-N 433.360 6.305 0 40 IKAB C[C@@H]1CCCCN1C(=S)Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 18180266 PPLZYILUNULTLE-CQSZACIVSA-N 429.010 6.100 0 40 IKAB O=C(c1ccccc1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19368660 NBBIRGRGCMHTOJ-FQEVSTJZSA-N 439.494 5.051 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(C23CC4CC(CC(C4)C2)C3)o1 19633242 ZRPQVVYFJDRIHP-INROXSABSA-N 441.320 5.352 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O 21524511 QXJGRPRTWGFCDJ-IBGZPJMESA-N 439.987 5.665 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 27531216 FWGVQFWDTFEPQC-UHFFFAOYSA-N 444.535 5.053 0 40 IKAB COc1cc(Cl)c(S(=O)(=O)n2c(Cc3ccccc3)nc3ccccc32)cc1Cl 27823244 XPLRRIIQGYBBOI-UHFFFAOYSA-N 447.343 5.180 0 40 IKAB Cc1ncc(-c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)o1 29952195 FFSNTNNKXUFIGN-UHFFFAOYSA-N 430.361 5.246 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 35085833 LZYAGZSFSLBGKP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 63957426 AVLJTAKZPJHFSZ-UHFFFAOYSA-N 448.976 5.030 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4ccc(C)cc4)no3)c3ccccc3c2=O)c1 64950122 ZEVOYKTXKSTWNX-UHFFFAOYSA-N 426.501 5.133 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)N3CCN(c4cccc(Cl)c4)CC3)s2)cc1F 71901672 MBJQBBJOJNTLCH-UHFFFAOYSA-N 444.963 5.189 0 40 IKAB Cc1cccc(Nc2ccc([C@@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)n1 72353394 DBLOTUGGEVHQKG-OAQYLSRUSA-N 439.563 5.349 0 40 IKAB Cc1cc(Cc2ccccc2)cc([C@H]2CCCN(C(=O)CC3=CC(C)(C)NC(C)(C)C3)C2)n1 72354213 HVDUTGSWTGSAOB-VWLOTQADSA-N 445.651 5.554 0 40 IKAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 77197942 IAUMBGFQTWFVLO-ZDUSSCGKSA-N 440.525 5.081 0 40 IKAB O[C@@H](COc1ccccc1Cl)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 82086510 RKYVEHDGJYDZAB-GOSISDBHSA-N 427.331 5.374 0 40 IKAB CCCS(=O)(=O)Nc1cccc(NCc2cccc(NC(=O)OC(C)(C)C)c2)c1C 95445295 CJHNJKQRMGZFAX-UHFFFAOYSA-N 433.574 5.106 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 104749344 ZQKWKTTTZPVRJY-NVJIOZQYSA-N 436.621 5.589 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 222657885 VMRZSJYVSBZFHU-CDHQVMDDSA-N 431.989 5.510 0 40 IKAB CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(/C)CC/C=C(\C)CCC=C(C)C)C(=O)O 222907418 PKFBJSDMCRJYDC-TXSZKIEOSA-N 435.674 6.455 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223333482 SSNSSKYCSNTLDS-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 223698631 JMMHIJNNQCXIOO-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223792547 VIRZWZSWSPWTRU-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(Cl)cc1)S(C)(=O)=O 223897573 KTEHDDXWHGTORP-CQSZACIVSA-N 442.924 5.033 0 40 IKAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 224028225 IAUVLAWGZJJBDR-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1cccc(C)c1 224114036 TYAXXHNXLBHQOE-UHFFFAOYSA-N 429.560 5.678 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1nccs1 224156237 SZTYNNRZYHVVES-RTWAWAEBSA-N 431.590 5.123 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224176272 UATHIPGKUGLYGR-OAQYLSRUSA-N 445.603 6.323 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224211311 ORSBZLLNHPMNBE-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224211434 ORSBZLLNHPMNBE-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224224117 IINSQTUCSXYDGA-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224294646 PEMQDHFRHOXXBI-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224350529 UYARYASPHSPXON-GOSISDBHSA-N 449.422 5.342 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(C)cc1 224367394 ZHEQUIFKHZUNKD-HSZRJFAPSA-N 442.600 5.092 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccnc2)N1c1ccc(Cl)cc1 224454692 NJWCUZZCGXIFAR-YADHBBJMSA-N 431.952 5.098 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224676691 FOOMRLDWLIBQET-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1C 224779226 AZICARLEJSDDFC-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB Cc1cc(NCCNC(=S)Nc2cccc(-c3csc(C)n3)c2)c2ccccc2n1 225218689 HNOPRAJXAYILEZ-UHFFFAOYSA-N 433.606 5.374 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225225758 WKNBVCDWCCOARM-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225280745 YPWDAMHKZCXJLT-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB C[C@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225780151 PNTXNYMFECVQST-IBGZPJMESA-N 434.967 5.490 0 40 IKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1cc(N)c(Cl)c(Cl)c1 226303328 DUQHPBWJPKNITL-UHFFFAOYSA-N 429.391 6.604 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccc(F)cc2Cl)c(Br)c1 226341543 ORYIKLANVSNXBB-ZZXKWVIFSA-N 448.115 6.050 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 247732243 IDXXCTSJGKDOQB-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(Cc2ccncc2)CC1 257219460 DGWJXSARYOZTAH-UHFFFAOYSA-N 427.592 5.018 0 40 IKAB CCCc1cc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)no1 257243734 IIHULIXMAYPBMP-GOSISDBHSA-N 434.540 5.103 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC(Cc4ccc5ncccc5c4)CC3)CCOCC2)cc1 257344116 ZVUHXQRIHYRFBK-UHFFFAOYSA-N 428.576 5.073 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3OC)c(Cl)c2)cc1 408559342 ZGQIQFKJSOCCNV-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)sc2c1CCC2 408576470 VSTASKCESWMSHK-UHFFFAOYSA-N 437.586 5.876 0 40 IKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)c(Cl)c1 408646448 OKVLQAOYYSPMIK-UHFFFAOYSA-N 437.504 5.205 0 40 IKAB COc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409118800 RBLODRWKGGTORB-UHFFFAOYSA-N 428.326 5.657 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OS(=O)(=O)c1ccc(Cl)cc1 409182680 NEQSDHFZUVOXFO-UHFFFAOYSA-N 438.332 5.382 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)C1=O 409231328 JVJXOGLNVMCAAN-XQNSMLJCSA-N 433.529 5.492 0 40 IKAB Cc1ccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CNCCCCCO3)cc1 643583657 GWVGDKBCWDGWBL-UHFFFAOYSA-N 428.576 5.168 0 40 IKAB CCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(C)C)c(OC)cc1C 645835 BNYWUAWBRVMKNR-UHFFFAOYSA-N 431.476 5.345 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3)n2-c2ccc(C)cc2)cc1 886624 FUMIMXGRIKPXQN-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB CCOc1ccc2nc3sc(C(=O)Nc4cc(Cl)ccc4Cl)c(N)c3cc2c1 917080 RSGYUODRLFWGLZ-UHFFFAOYSA-N 432.332 5.990 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(Cl)c1 917128 HFVNDCOQFYDLJD-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)c(C)c1 1070816 WAIOHRDXEIHERI-OAHLLOKOSA-N 433.573 6.437 0 40 IKAB O=C(C[C@H](Sc1cccc2cccnc12)c1ccc(OC(F)F)cc1)c1ccco1 1098201 SOHASHHVCVTIFD-NRFANRHFSA-N 425.456 6.536 0 40 IKAB CCc1cc([C@@H](c2ccc(Cl)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298726 YOQZFWFHSBYJER-JOCHJYFZSA-N 440.996 5.638 0 40 IKAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c12 1378225 UAPIWKIPHNFSLQ-UHFFFAOYSA-N 429.495 5.252 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)OCCOc1ccc(Cl)cc1Cl 1671056 CVASLCPQOCLDCB-UHFFFAOYSA-N 438.134 6.081 0 40 IKAB O=C(/C=C/c1ccco1)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 2211834 FMEYAFNPGGSPCO-VMPITWQZSA-N 425.238 5.208 0 40 IKAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccccc2F)cc1 2454319 SNRZDIVFLDMGSD-UHFFFAOYSA-N 435.524 5.595 0 40 IKAB Cc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCO1 2662337 ZTWLQKUJESFQDI-LJQANCHMSA-N 429.973 5.257 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2S(=O)(=O)c2ccccc2)cc1Cl 2686970 ZTDOPZFCXGCOSO-GYHWCHFESA-N 425.893 5.160 0 40 IKAB O=C(COC(=O)/C(=C/c1cccs1)c1cccs1)Nc1ccc(Br)cc1 3240195 NGFBODSWSCBVQE-LFIBNONCSA-N 448.363 5.295 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)Cc2c(Cl)cccc2Cl)c2ccccc2)c1 3274957 ZDHQTYCJGZVSPV-HSZRJFAPSA-N 442.342 6.076 0 40 IKAB O=C(Nc1ccc(-c2ccccc2)cc1)[C@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O 3430712 ZGQDAKSDKOGCNH-SANMLTNESA-N 446.506 5.200 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)NCCC(c2ccccc2)c2ccccc2)c1 3430727 MKYQNWIRNBDATH-UHFFFAOYSA-N 440.543 5.822 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 8451057 IGTYJHNHTZSASS-HJUUAYDMSA-N 437.653 5.728 0 40 IKAB O=C1C[C@@](/C=C/c2ccccc2)(Nc2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1 8453239 UCVYTLPMIOHMQG-UWHSVAFCSA-N 443.374 5.949 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1F)c1ccc(Cl)cc1Cl 8810515 SNTQNKRPFKKNGU-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCc1ccc(N(C(=O)CSCc2c(C)noc2C)c2nc3ccccc3s2)cc1 8880809 VPMOHTSSMJIYEB-UHFFFAOYSA-N 437.590 6.062 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@H]1CCCc2ccccc21 8898762 LMSJUHNZLKXOKW-QFIPXVFZSA-N 443.576 5.047 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc(-c3cccs3)nc3ccccc13)CC2 9128937 IQHUQVUSEBQVBF-INIZCTEOSA-N 444.556 5.740 0 40 IKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3ccccc3F)cc2O)n[nH]c1C 9130220 QQFGJQPOHADBOM-UHFFFAOYSA-N 434.467 6.000 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C(c2ccccc2)c2ccccc2)o1 9200037 PIPLBOLDQRZIOA-UHFFFAOYSA-N 449.963 5.942 0 40 IKAB COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)n2C)cc1 9261552 DGYSJTPHBIPHFQ-UHFFFAOYSA-N 432.387 5.054 0 40 IKAB COc1ccccc1[C@@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308644 MGLLAYOEPRNALP-FPOVZHCZSA-N 434.337 5.954 0 40 IKAB FC(F)(F)c1cccc(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)c1 9309282 PGRKJXRSYDOGGN-UHFFFAOYSA-N 445.897 6.899 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(Cl)cc2)cc1C 9599190 VUSQFDAVYYAPON-UHFFFAOYSA-N 440.012 6.190 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1NC(=O)c1ccco1 9950281 XCQNHCRQKCTBSL-SFHVURJKSA-N 445.544 5.470 0 40 IKAB COc1ccccc1-n1c(-c2ccccc2)cnc1SCc1nc2ccccc2c(=O)[nH]1 10322640 HAHRTFCZKXLJHT-UHFFFAOYSA-N 440.528 5.077 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)[nH]1 10381998 VOBKIBCQSDHRKQ-UHFFFAOYSA-N 446.557 5.402 0 40 IKAB Cc1ccc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)cc1C 11667344 GVYBZOPFVMTFEF-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)n(C[C@@H]2CCCO2)c1C 12535276 WTEBUYXSAZBOIE-AWEZNQCLSA-N 447.910 5.082 0 40 IKAB COc1ccccc1-n1c(S[C@@H](C)c2nc(C(C)C)no2)nnc1-c1cccs1 12536627 DBDZGIORNOCLLA-ZDUSSCGKSA-N 427.555 5.364 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(C)n2-c2ccc(C)cc2)c2ccc(C)cc2)cc1 12622985 GYMBTAWABXBNGT-RUZDIDTESA-N 427.573 6.217 0 40 IKAB C[C@H](NC(=O)[C@@H]1CS[C@@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 12631306 HOWHGGJWBVJQGK-ZRCAFCQKSA-N 447.000 5.569 0 40 IKAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 13145840 IUKLVEXLSTZUQX-DLBZAZTESA-N 427.595 5.166 0 40 IKAB COc1ccc(Cl)cc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 13364347 LLMZMHIUAINDIW-HXUWFJFHSA-N 426.303 6.254 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1cccc(Cl)c1)C1CCCCC1)c1nnnn12 13568289 BUDKBGNSDAKTQS-UHFFFAOYSA-N 448.958 5.606 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709234 OCJHUGLILNBOSA-AWEZNQCLSA-N 431.273 5.159 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13709450 XFNGHTZSPATXCR-QGZVFWFLSA-N 429.903 6.130 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 13960505 SYESDGKGEWTCSE-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 14272129 KAICLCUUPWFMHM-UHFFFAOYSA-N 441.314 6.843 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccccc1OCc1ccc(Br)cc1 15305871 WQKUMKXXVLAECV-XSFVSMFZSA-N 434.289 5.373 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)cc1OC 15729510 PJUPGMOJUJTIOE-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic COc1cccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)c1 15778736 UROZIWAFZZDREJ-FQEVSTJZSA-N 434.883 5.310 0 40 IKAB O=C(O)c1cccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 16399420 ZBHFJFQZCXXPND-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@@H](c2c(Cl)cccc2Cl)C1 16488736 SIGDPCABXDNEFD-OAQYLSRUSA-N 435.310 6.456 0 40 IKAB CCN(CC)C(=S)Sc1c(-c2ccccc2)n(Cc2ccccc2)c2ccccc12 18193592 JLMODQTULYWDQG-UHFFFAOYSA-N 430.642 7.075 0 40 IKAB COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C2CCCCC2)c1 19565405 PBIPJQTXQSMFNR-UBFVSLLYSA-N 438.637 5.154 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(C)cc4C)ccc32)cc1 20765992 BLLFUVYNMXGKFX-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)sc2c1 21197142 GUXYSWQGJZKMCX-UHFFFAOYSA-N 444.875 5.263 0 40 IKAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3cccc(Cl)c3F)nc2n1 21354694 BDSOFJSXFNWOHX-UHFFFAOYSA-N 441.919 5.078 0 40 IKAB CCCCC1=N[C@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@H]2C2=C1CCC2 26959957 GPPLAZKVPMJOLV-XXBNENTESA-N 447.633 6.057 0 40 IKAB Cc1sc(NC(=O)c2cccc(NC(=O)c3cccnc3)c2)nc1-c1ccc(F)cc1 29028840 MLRQUSCZZZAQEG-UHFFFAOYSA-N 432.480 5.157 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(F)cc1 32116784 GFIWRPDAFJOWPE-UHFFFAOYSA-N 427.229 5.354 0 40 IKAB COc1ccc(-c2cc3nc(CN4CCC[C@H]4c4cccc(OC)c4)[nH]c(=O)c3s2)cc1 36033862 DOMRZHVSMLLLLX-NRFANRHFSA-N 447.560 5.006 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1cc(-c2ccc(Br)cc2)[nH]n1 44837505 CSFZBQOQKSBQNY-UHFFFAOYSA-N 435.119 5.162 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccccc1N1CCCCC1 57313211 OLAMJQWIMNYKCI-JQIJEIRASA-N 431.561 5.463 0 40 IKAB Cc1c(NC(=O)c2nc(C(C)C)cs2)cccc1C(=O)N1CCc2sccc2C1 63474712 QZAIUTXUZQYDJG-UHFFFAOYSA-N 425.579 5.087 0 40 IKAB COc1ccccc1Cn1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 67258448 ADUZXOFUJKZVQH-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB O=c1c(Cl)c(Cl)cnn1-c1ccc(NCCc2c[nH]c3ccccc23)c(Cl)c1 71948146 VZDGNHAYNNTFFM-UHFFFAOYSA-N 433.726 5.329 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)cc1 72337820 CKRQYAJBMKDSML-DFQSSKMNSA-N 448.533 5.084 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372626 HWDMKZHAHJDSOT-FQEVSTJZSA-N 449.605 5.794 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1Cc1ccc(F)cc1 106691417 GLQBBIPUSPCHPJ-XKZIYDEJSA-N 437.467 5.780 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@H]1c1cccs1 108625568 SRSZILNVKLLDFA-FQEVSTJZSA-N 447.947 5.608 0 40 IKAB CCCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118916875 RNIJCNIWUSGVHJ-YRXNUGOGSA-N 442.772 9.213 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C 118924345 ISNRJHYMWLUQIR-VMHDFZRASA-N 436.592 5.639 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 223950019 ZIXPZMLCIWFDPQ-HXUWFJFHSA-N 430.614 5.359 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224074440 VGHKCCVYBIHUAR-JOCHJYFZSA-N 449.422 5.302 0 40 IKAB COc1ccc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cc1COc1ccccc1 224089901 FIWKBPHMXSJYHL-UHFFFAOYSA-N 437.539 6.117 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1C 224262811 CSYDCAXSOHNUJG-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 224309976 ZTBVIFTYTUITIL-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccccc3)c2)cc1 224331193 DEBCEFDOEXELRZ-UHFFFAOYSA-N 449.572 6.197 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 224470366 FYBSZCICWYHLBK-JOCHJYFZSA-N 449.422 5.432 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)cc2)c1 224533288 BOXHCFZQANTNSK-LICLKQGHSA-N 448.588 5.745 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc2ccccc2c1 224640176 KYFMTZJRKQVKQA-UHFFFAOYSA-N 425.528 6.632 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224660013 NPVSOSVTBHDUJP-UHFFFAOYSA-N 425.981 6.269 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225268953 SAPROZGNCHJGJS-UHFFFAOYSA-N 439.902 6.928 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)c(C)c1 225514102 IQXKAJKBDTWYAM-MRXNPFEDSA-N 426.738 5.066 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 225582370 ZDFJGQUSCUKAPY-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)cc1C 225644089 FWXXHROYZYJXNP-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB O=C(O)/C=C/c1cc(Cl)c(OCc2ccc(Br)cc2)c(Br)c1 226341046 FAYSJKOPUZCYFU-ZZXKWVIFSA-N 446.522 5.542 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@]3(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]23)[C@@]2(C)CCCC[C@H]12 253505689 ZVBBVQAJSUFYKD-JLDHKSLJSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 260772417 NQTYERVWMZZXBT-HVETUWLQSA-N 433.533 5.328 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)c1 408674022 XFKPKLGNIQILEB-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cc(Cl)ccc2C)c1 408694274 IFVOEDTUYVBCMZ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)cc2C)c1 408696966 CUNZLLYCHOVWFB-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2ccccc2)=N[C@@H]1c1ccccc1 408993296 WBLPRZQHJCKHFF-HSZRJFAPSA-N 428.557 5.595 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)c1C 409383968 RSRXOSXKMRBOIZ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c1 409409274 GRYBPZVFUIOTDO-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)s1)C1c2ccccc2Oc2ccccc21 675008101 AFSBBFJQDOZFSL-GOSISDBHSA-N 433.554 5.564 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2ccccc2Cl)n1 1848355148 TWXUYUHWXBJGDE-RUZDIDTESA-N 429.951 5.713 0 40 IKAB O=C(Nc1cccc2c(NC(=O)C(Cl)(Cl)Cl)cccc12)C(Cl)(Cl)Cl 652740 QWVSBVPHQCMIQE-UHFFFAOYSA-N 448.948 5.457 0 40 IKAB O=C(CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1 890768 YZZGYIMRQQBQRG-UHFFFAOYSA-N 441.837 5.686 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 902131 SNLPZKKPNCUPKQ-CYBMUJFWSA-N 435.471 6.000 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352851 VDHFJQBLTKSVSD-UHFFFAOYSA-N 429.495 5.252 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c1C 1448860 GYOKFBOADAVHAG-QFIPXVFZSA-N 443.012 6.685 0 40 IKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)cc2C)cc1 2238268 LNRFBHDJMUNQOY-UHFFFAOYSA-N 445.320 5.715 0 40 IKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccccc2)c1=O 2364975 CYNADKSKXDMPHU-UHFFFAOYSA-N 437.543 5.758 0 40 IKAB CCCCc1nc2sc3c(NCCCN(C)C)nc(SC)nc3c2c2c1CCC2 2420128 RCGIKNGNUNZGDM-UHFFFAOYSA-N 429.659 5.156 0 40 IKAB COC(=O)c1ccccc1NC(=O)Cc1nc(-c2ccccc2)sc1-c1ccc(C)cc1 2632640 ZPCAEEJXXHJCJR-UHFFFAOYSA-N 442.540 5.753 0 40 IKAB COc1cc(N)c(Cl)cc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 3442580 IQTNLMCDRJAHSM-UHFFFAOYSA-N 434.879 5.119 0 40 IKAB COc1ccc(CN(CC[C@@H]2CC(C)(C)OC[C@H]2c2ccccc2)C(C)=O)cc1OC 4616542 KWLNJGMDUQTJML-PKTZIBPZSA-N 425.569 5.041 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)c2ccc(Cl)c(N3CCCC3=O)c2)cc1 8343138 AUSIFOLHISRMCF-OAQYLSRUSA-N 426.944 5.233 0 40 IKAB COc1ccccc1-c1nnc(SCc2nc3ccccc3s2)n1C1CCCCC1 8825902 LCVYZBUJFDSPLT-UHFFFAOYSA-N 436.606 6.361 0 40 IKAB Cc1ccccc1NC(=O)CSc1ccc(-c2sc(-c3cccnc3)nc2C)nn1 8875936 JPGULEAJVXOBIV-UHFFFAOYSA-N 433.562 5.010 0 40 IKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(OCc2ccccc2)cc1 8904040 CHKCOFSYHULQKL-UHFFFAOYSA-N 429.516 6.007 0 40 IKAB C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N1c2ccccc2C[C@@H]1C 9154046 OEGNIJUXSMFDNP-STQMWFEESA-N 448.038 5.775 0 40 IKAB C[C@H](NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccccc3)c2c1N)c1ccccc1 9187829 VEILFPSANZASMZ-SFHVURJKSA-N 449.579 6.704 0 40 IKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(C)cc(C)cc1Cl 9233424 SLLIEPVDHBPLQI-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB COC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 9289230 OFQNAXSYPWTZJA-MUUNZHRXSA-N 446.506 5.706 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 9291798 GUBQFGPXHWOWGZ-UHFFFAOYSA-N 442.906 6.149 0 40 IKAB COc1cccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)c1 9309371 KESFURMKPUJOTO-UHFFFAOYSA-N 443.616 6.841 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ncc(-c5ccc(F)cc5)o4)cc3)sc2c1 9321947 HRCUVRKVAFTFEG-UHFFFAOYSA-N 429.476 6.318 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)n1c(SCc2ccccc2)nc2ccccc21 9327374 MYFPQEMJWCZPNS-KXBFYZLASA-N 431.388 6.560 0 40 IKAB COc1ccccc1C(=O)Nc1c(-c2cccc3ccccc23)c(=O)c2ccccc2n1C 9327895 USXDFZDIQXPBNZ-UHFFFAOYSA-N 434.495 5.620 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1ccc(C)c(C)c1 9428009 DCXQCBGENREVSE-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12)c1ccc(F)cc1 9518375 OVXOOELOIZQUFI-UHFFFAOYSA-N 426.806 5.869 0 40 IKAB O=C(Nc1ccc(F)cc1F)C12CC3CC(C1)CC(C(=O)Nc1ccc(F)cc1F)(C3)C2 9579674 JMHMJYNEVUNPEY-UHFFFAOYSA-N 446.444 5.407 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)Nc1cccc(Cl)c1 9761229 YFFZRKWYWOVEBI-UHFFFAOYSA-N 431.948 6.195 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2nnc3n2CCCCC3)c2ccccc2)cc1Cl 9816813 VOYXMAHMUYCGAO-HXUWFJFHSA-N 442.972 5.139 0 40 IKAB COc1ccc(Br)cc1CSc1nnc(Cc2cccs2)n1C1CC1 9818847 XNMSZBFWDGKSNE-UHFFFAOYSA-N 436.400 5.329 0 40 IKAB O=C(CSC1=NCCS1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 12311597 CYBATTCXCYOWCP-JOCHJYFZSA-N 431.586 5.354 0 40 IKAB Cc1sc2nc([C@@H](C)Sc3nc(C(F)(F)F)nc4ccccc34)[nH]c(=O)c2c1C 13112694 JEKOSJBSXUFILN-SNVBAGLBSA-N 436.484 5.417 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 13117512 YNVNYWACNNFHEG-QHCPKHFHSA-N 449.963 5.312 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nc3ccc(Cl)cc3c(=O)n2CC(C)C)cc1 13138572 GMALGJGMFKVTKF-OAHLLOKOSA-N 429.973 5.134 0 40 IKAB COc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)cc1 13554840 LPSKBNAEZQWASE-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13717013 LSKWSTHAMSHZBP-UHFFFAOYSA-N 435.611 7.315 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(N)n(C3CCCCC3)c3nc4ccccc4nc23)cc1C 13786191 FOZSSTTVTSGNDZ-UHFFFAOYSA-N 434.565 5.122 0 40 IKAB Cc1ccc(NC(=O)[C@@]23C(=O)Oc4ccccc4[C@@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 13787976 FYMSBJFVTRXSRW-QGUKFAFCSA-N 445.902 5.179 0 40 IKAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1 13995212 DCKVUPNHJDOTSQ-RNODOKPDSA-N 443.956 5.122 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 14069900 GKWXQTCZUVYWLG-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 14272112 JQXTUTNYNWMILL-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3sc4c(c3C(N)=O)CCC4)o2)cc1Cl 17095208 CHGWXPWTLBHDFU-CSKARUKUSA-N 426.925 5.209 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 17095320 GYYKVSWOXUOAFD-UHFFFAOYSA-N 427.342 5.709 0 40 IKAB NC(=O)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 17099952 XRZOWIAJTIYBPJ-UHFFFAOYSA-N 436.298 5.560 0 40 IKAB COc1cc(NC(=O)COc2ccc(C)cc2C)ccc1NC(=O)c1ccccc1Cl 17102804 KFIGHPJTSGDVEH-UHFFFAOYSA-N 438.911 5.235 0 40 IKAB CCc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 17920852 YZORGGDPVBBSOO-HJOGWXRNSA-N 446.934 5.262 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@H]2CCCCN2Cc2ccc(Cl)c(Cl)c2)n1 19239783 GGHQNAIYWFXSCD-JOCHJYFZSA-N 427.379 6.189 0 40 IKAB CCc1cc(C(F)(F)F)c2c([C@@H]3CCCN(Cc4ccc(OC)c(OC)c4)C3)noc2n1 19522015 MIIHEJJERLABRU-OAHLLOKOSA-N 449.473 5.201 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCCc2c1cnn2Cc1ccccc1Cl 19579618 HRLYMVLIUZIJKB-NRFANRHFSA-N 446.938 5.356 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1ccc(-c2cccc(Cl)c2)o1 19637159 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Cc1ccccc1C(=O)NC1CCN(C(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)CC1 32307192 RLVKXBBBKSBTEN-NRFANRHFSA-N 443.591 5.057 0 40 IKAB CCCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026807 XZULLSKHJAVYCF-UHFFFAOYSA-N 437.503 5.589 0 40 IKAB O=C(O)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 34719568 RADZJAXNXHPDON-LIKPIUCQSA-N 438.310 5.540 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3c(Cl)cccc3Cl)SC2=S)c(OC)c1 35040585 OZXDCRKDNVJZKT-CXUHLZMHSA-N 426.346 5.416 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1sc2ncn(CCc3ccccc3)c(=O)c2c1C 35672015 OQPDXRSFTCMMNH-UHFFFAOYSA-N 437.952 5.223 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)cc2)ccc1OCc1cccc(Cl)c1 40737778 UATKEYORRWSPGN-UHFFFAOYSA-N 425.956 5.659 0 40 IKAB CCSc1ncc(-c2ccc(Br)cc2)n1-c1cccc(C(F)(F)F)c1 44087868 OGFYOVAWHWTGDU-UHFFFAOYSA-N 427.289 6.433 0 40 IKAB CCOc1ccc(C(=O)NC[C@@H](c2cccc(OC)c2OC)c2c[nH]c3ccccc23)cc1 57355284 PFRLJZSENZBHLZ-QHCPKHFHSA-N 444.531 5.146 0 40 IKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2nsnc2c1 59294613 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5.358 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 222395993 JAZLXFPQTWNULL-HSZRJFAPSA-N 445.003 5.139 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2)o1 222892372 GKXRSOPDMNXYGM-WOJBJXKFSA-N 442.382 5.487 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 222955138 ISKNCLMOKHKGDL-HYBUGGRVSA-N 430.548 5.591 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222984335 VIUNKXGZTXRCBB-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 222984371 KKZXXHKKBJROGX-FGZHOGPDSA-N 425.985 6.076 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCCC1 223380939 VSAUTSCXVCHNCI-UIOOFZCWSA-N 444.648 6.178 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C 223397648 GOWDMCOARVLXIA-UIOOFZCWSA-N 438.600 5.662 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223718217 IJAVCMJRRRXNRR-NRFANRHFSA-N 449.422 5.301 0 40 IKAB 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Cc1ccc(N(C(=O)c2ccc(Cl)cc2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 3764881 TYGBSEPKXNRYQL-UHFFFAOYSA-N 434.967 6.329 0 40 IKAB CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(-c4ccccc4)cc3)oc2cc1O 4177459 XMMISJXKZSXUSA-HYOGKJQXSA-N 440.543 6.260 0 40 IKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(C(C)(C)C)cc4)C3)n2)cc1 4889977 ZISJIVGXAZJIDZ-JOCHJYFZSA-N 431.580 6.177 0 40 IKAB COc1cc(C)c(CNC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)cc1C 5242703 VMJLCNHZCSRTJT-OIFRRMEBSA-N 433.680 7.236 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccnc2)c(C)c1 8710873 QNAKUNATYJRKCS-UHFFFAOYSA-N 447.542 5.719 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)oc2c1 8831932 RLBOUBKSCXMANZ-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8837853 DNGZRQVACJLMBH-VWLOTQADSA-N 426.545 5.505 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O 8845966 JPNIKOIXWQKTHA-OAQYLSRUSA-N 434.854 5.034 0 40 IKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2c1 9056992 NECWNRVZMHXFLU-UHFFFAOYSA-N 440.852 7.135 0 40 IKAB C=Cc1ccc(COc2ccc(-c3[nH]nc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 9187786 YBUNLCDSUYZHSA-UHFFFAOYSA-N 436.433 6.690 0 40 IKAB Cc1c([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc2n1C 9290443 LGNAWNXUMQTZJE-VWLOTQADSA-N 443.934 5.324 0 40 IKAB CCOc1cc(CNCc2nnc3ccccn23)ccc1OCc1ccc(C(C)(C)C)cc1 9464559 GHFYHMWLPPXJCT-UHFFFAOYSA-N 444.579 5.294 0 40 IKAB CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 9507281 WZMHECYTRUBFQT-UHFFFAOYSA-N 431.492 5.369 0 40 IKAB Clc1cccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)c1 9518706 MRLRTGUKQVNSNM-UHFFFAOYSA-N 427.895 5.792 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CC(C)(C)NC2(C)C 9639908 AJVFDASRSDRFRP-UHFFFAOYSA-N 426.991 5.051 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCc2ccccc2C1 9647163 FZTLMSYYVTXGMW-GOSISDBHSA-N 425.557 5.362 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@H]1c1nc2ccccc2s1 9861909 YRRJTCPZEAQSSP-KRWDZBQOSA-N 425.966 6.051 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 12185643 JFJLXBNHMBIWGW-NRFANRHFSA-N 438.524 5.190 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccc4c(c3)NC(=O)CO4)n2C2CCCCC2)cc1 12661037 KVJYKENIJYGECF-QPLCGJKRSA-N 449.576 5.684 0 40 IKAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 12691887 JXMAJGQQHGOOEH-UHFFFAOYSA-N 439.487 5.474 0 40 IKAB COc1ccc(C(=O)C2CCN(Cc3nc(-c4ccccc4)c4ccccc4n3)CC2)cc1 12823765 HQBHDRPXCYUHDT-UHFFFAOYSA-N 437.543 5.400 0 40 IKAB O=C(Nc1ccc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C32SCCS2)cc1)c1ccco1 12869305 GIARMXGDPLRAJB-ALOPSCKCSA-N 442.606 5.473 0 40 IKAB CCC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1c(F)cccc1Cl)C(=O)C(C)(C)O2 12876086 KFERRFRUTYAKNS-UHFFFAOYSA-N 432.923 5.102 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccnn1Cc1ccccc1Cl 12944287 UTTLRNLFBYWTIP-UHFFFAOYSA-N 426.904 5.029 0 40 IKAB Cc1oc(-c2ccccc2)nc1COC(=O)c1ccccc1C(=O)N(C)c1ccccc1 13012113 JBDZUXIUAHXIMU-UHFFFAOYSA-N 426.472 5.284 0 40 IKAB O=C([C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1)N1CCCC1 13113368 WCOFZMKTUOMGPX-QFIPXVFZSA-N 444.560 5.042 0 40 IKAB CCN(CC)CCC[C@@H](C)NC(=O)c1cc2c(C)nn(-c3ccccc3Cl)c2s1 13133949 VRFIOUFAGYMSTB-OAHLLOKOSA-N 433.021 5.289 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c(C)c1 13498416 FAQGQGCPCLFWSQ-SANMLTNESA-N 446.616 5.741 0 40 IKAB Brc1cc2c(cc1C(c1c[nH]c3ccccc13)c1c[nH]c3ccccc13)OCO2 15016007 KIJGMICQVOCTNR-UHFFFAOYSA-N 445.316 6.321 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 15581456 CLSHLYDGCQBXJH-UHFFFAOYSA-N 449.514 5.111 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@@H]1CCCc2ccccc21 16046134 JFMIPYIQRPHMAN-SUMWQHHRSA-N 428.558 5.095 0 40 IKAB COc1ccc(N2C(C(C)=O)=NN(c3ccc(Cl)cc3)[C@@H]2c2ccccc2)cc1Cl 16138861 DBRYZUVTVAFYLT-HSZRJFAPSA-N 440.330 5.930 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3CCCC[C@H]3C2=O)c1 17988273 JWIGEAVWLYRBQQ-PSWAGMNNSA-N 425.484 5.252 0 40 IKAB O=C(c1ccccn1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373042 YNNZYNLTXXZTFV-HSZRJFAPSA-N 436.519 5.045 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373182 XXIRAFWPSIMJHH-CVDCTZTESA-N 425.536 5.302 0 40 IKAB O=C1c2cc3ccccc3nc2N[C@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 20523114 YHQUAQSERDHAAV-VWLOTQADSA-N 436.902 6.208 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2cccs2)cc1 25668954 WGUZYNJIEXVNSX-FQEVSTJZSA-N 448.548 5.026 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(COc5ccccc5)cc4)ncnc32)cc1Cl 28406056 PWCLFUHKWLVCHR-UHFFFAOYSA-N 441.922 6.100 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCc2nnc(-c3ccc(Br)s3)o2)n1 29975219 JBSUYQUSMPMFKW-UHFFFAOYSA-N 445.367 5.618 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 32675355 ITAUVHRNEHROPH-VMPHSVRMSA-N 429.470 5.797 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c(C)c1 33579526 WWOIHVFLMRCKLV-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5cc(Cl)ccc5o4)cc3)o2)cc1C 33681084 DOFWQKGQGFEFNZ-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 35645260 KPPYNEUTETWXIX-HYARGMPZSA-N 434.948 6.310 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2-c2nc(-c3ccc(C)cc3)no2)cc1 35671329 GLXLNEBNIBZSKU-NTEUORMPSA-N 445.544 6.051 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 36357920 MWHQGYKRJHROFV-UHORWHLBSA-N 445.563 5.447 0 40 IKAB Cc1ccc(-c2cc(C(F)F)nc3sc4c(=O)nc5n(c4c23)C(=O)c2ccccc2-5)cc1 36611874 QBLCYWVCTQRRGM-UHFFFAOYSA-N 445.450 5.588 0 40 IKAB CCc1cc(C(=O)N[C@@H](C)c2ccccc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621666 QSMJNANLBAWFSC-INIZCTEOSA-N 428.511 5.490 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38850636 AJMSKNCBUMLIGH-QFIPXVFZSA-N 434.967 5.770 0 40 IKAB COc1cc(-c2nc3ccccc3[nH]2)cc(Br)c1OCc1ccccc1Cl 41004994 MDJIZDAESDPUKU-UHFFFAOYSA-N 443.728 6.233 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1nc2ccc(Cl)cc2s1 57315964 QIFNHWITXCDVRY-UHFFFAOYSA-N 425.735 5.508 0 40 IKAB CN(C)CCn1ccc2cc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)ccc21 58162279 QRZWNNLBMNJKNQ-UHFFFAOYSA-N 435.531 5.065 0 40 IKAB COc1ccc(-c2csc(CCNC(=O)c3ccccc3C(=O)c3ccccc3)n2)cc1 58210466 JAPCSPBYASWILS-UHFFFAOYSA-N 442.540 5.022 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3cccc(SC)c3)oc12 67295661 IAWPNOYCUKHACQ-LCUIJRPUSA-N 431.517 5.351 0 40 IKAB Cc1ccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)cn1 95943457 PFKNQGYNNMPMTL-UHFFFAOYSA-N 426.303 5.358 0 40 IKAB C[C@@H](C(=O)Nc1ccc(Br)cc1Cl)c1cccc(C(=O)c2ccccc2)c1 98073337 UITCCBVTOLKNGW-CQSZACIVSA-N 442.740 6.076 0 40 IKAB COc1cc2c(cc1NC(=O)C13C[C@@H]4C[C@@H](C1)CC(n1cncn1)(C4)C3)oc1ccccc12 101953838 HSHMIFYXZMMBDE-ZKDOXIPUSA-N 442.519 5.120 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)Nc1ccc(F)cc1 139020338 DKAOIZRYRVIVLQ-UHFFFAOYSA-N 434.854 5.490 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222625218 KCVNTJUWVXJTJR-JTSKRJEESA-N 449.422 5.301 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222696702 FMSQDJBMIHIFOU-NRFANRHFSA-N 436.640 5.557 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1nnc(SCc2ccccc2)s1 223184005 YCKVYZBCLHOFNC-IBGZPJMESA-N 435.574 5.780 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223361541 LYQXCVWAHHZADN-OAQYLSRUSA-N 447.044 5.295 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1 223550549 GIPIRUCKRXRUIY-JOCHJYFZSA-N 444.641 5.140 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223562560 SDAMEXABCHEKMZ-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccccc3C(C)(C)C)cc2)cc1 223670764 RILQDLABAPCIGV-UHFFFAOYSA-N 433.617 6.394 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223969346 TWNQVOHWYGQCRP-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224007877 ZCMFFZGNSQDDDR-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 224049506 PLRKZLFEPVVHCL-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1nccs1 224391518 FCMPCXRZKCACQT-SFTDATJTSA-N 449.580 5.262 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 224446343 HSVCNFJHBRFNJO-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1Sc1ccccc1 224892113 FTUIKNYGYSEZSN-UHFFFAOYSA-N 434.948 6.718 0 40 IKAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225270300 BNRJMSXZGCGQRO-UHFFFAOYSA-N 427.913 5.001 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCCC4)cc3)CCCCC2)cc1 225542887 VPKLVNBDZXIGJI-UHFFFAOYSA-N 448.651 6.481 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 225665069 FOXVPPPLGNMKTQ-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C3=C(CC[C@@H]2C1)C1=CC[C@H]([C@H](C)/C=C\[C@H](C)C(C)C)[C@]1(C)CC3 254350682 QZSOQOOFGQQOKW-KMMNJQLISA-N 438.696 8.046 0 40 IKAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)N4CCC(CCO)CC4)ccc3O2)cc1 257274134 NJRVTBKNZPWBJH-GDLZYMKVSA-N 449.635 5.300 0 40 IKAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(C(=O)NC2CCCCCCC2)cc1 408627473 MSCNUAUPCJRJBY-UHFFFAOYSA-N 449.016 5.149 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1C 408646706 WCQJJBBNIRLAMU-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Cl)cc1Cl 408704769 SOOVWNLEMVMLGR-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(Cl)ccc1Cl 408705147 YWILLHSGGYKSNB-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)NC(SCc2ccc(F)cc2)=N1 408988047 GRYDWHIPYKTLMM-QHCPKHFHSA-N 431.536 5.672 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409011056 FRCHTXYMVYMSBI-ONDHQXCVSA-N 446.366 5.863 0 40 IKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccccc1Cl 409112700 GBSDSJIJAQYVRG-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(OC)c2)cc1 409122041 WVRGCTPGRCPVGW-UHFFFAOYSA-N 442.353 6.048 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)ccc1OCc1ccc(Cl)cc1Cl 409122287 XGHVHEMQLTZHFY-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2-c2ccccc2)c1 409331205 MQGQEWXPOQJCDX-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB O=C(c1cccnc1)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1Cc1ccccc1 643582183 UMZBRNZKSSIUET-SANMLTNESA-N 449.554 5.340 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1cccs1)N2 673991 AAQBEMQPWKWIDS-IUODEOHRSA-N 426.851 5.511 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccccc1 900685 PYZLHILFNNWQBM-LJQANCHMSA-N 428.561 5.421 0 40 IKAB CC(=O)c1c(C)oc2ccc(N(C(=O)Oc3ccccc3)S(=O)(=O)c3ccccc3)cc12 2061252 HSBGJMXNXQGRPW-UHFFFAOYSA-N 449.484 5.338 0 40 IKAB CCCCCCOc1ccccc1/C=C/[C@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 2128077 PLCOJLWQCNEPCO-RRMBJHDJSA-N 432.608 5.981 0 40 IKAB biogenic CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OCc1ccc(C)cc1 2140610 PRYVGIXNCIXPSX-UHFFFAOYSA-N 442.511 6.071 0 40 IKAB biogenic O=C(/C=C/c1ccccc1)Nc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2ccccc12 2345269 USOVUCLWUDDQKD-JLHYYAGUSA-N 439.355 5.804 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3O)nc2c1 2594203 AYLQLZYDTSZSNZ-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN(CC(C)C)CC(C)C)c1=S 3223083 TXDCSANEHWJTGD-UHFFFAOYSA-N 444.048 5.999 0 40 IKAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 3417617 OPWXIOVVVHAFLO-LJQANCHMSA-N 447.556 5.148 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc(-c2nc(-c3cccc(C(F)(F)F)c3)cs2)cc1 3469547 ZFFMURPMNSLVIL-UHFFFAOYSA-N 442.437 6.887 0 40 IKAB O=C1/C(=C\c2ccc(Cl)c(Cl)c2)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 3886368 AVSZSJNYIFGNRR-MKMNVTDBSA-N 446.142 5.198 0 40 IKAB CCCCCN(CCCCC)CCCNc1c2c(nc3cccc(Cl)c13)CCCC2 5742855 MXHNQQXJZLVFRF-UHFFFAOYSA-N 430.080 7.251 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCCC3)cc1 5944355 OGADLRGBVPYSET-UHFFFAOYSA-N 447.604 5.502 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)cc1 6245285 CRZUMXSRABVODM-UHFFFAOYSA-N 449.576 5.097 0 40 IKAB Cc1cc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C 6320648 FOFRMYDFAKQJBQ-HXUWFJFHSA-N 447.648 5.915 0 40 IKAB COc1ccc(-n2c(-c3ccccc3OC(=O)c3ccccc3)nc3ccccc3c2=O)cc1 8400146 OOHGFGOVNXOWIV-UHFFFAOYSA-N 448.478 5.281 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)c3[nH]c(C)c(C(C)=O)c3C)o2)cc1 8707851 XIDNIFPPWUHQEW-INIZCTEOSA-N 440.569 5.094 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1C 8755475 XOMFJHQCLSXIIN-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 8755764 PDJBWOXOTCQDAY-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB COC(=O)c1c(C(C)(C)C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc12 8870341 CVKHQOHTIVKJJN-UHFFFAOYSA-N 435.929 5.280 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(C(F)(F)F)cc1 9037005 MLVQGZQMJONCCR-UHFFFAOYSA-N 430.451 5.218 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 9064568 ZRLKGFSWRRMYFE-BUHFOSPRSA-N 441.512 5.212 0 40 IKAB Cc1cc(C)cc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c1 9064734 MJNWKOBEVJIIQR-VQHVLOKHSA-N 445.371 6.397 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)s1 9168406 NMKODZJMXPJNKU-WIYYLYMNSA-N 425.351 6.061 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)n2C)cc1 9307845 OXSYVEGRIKGBFQ-UHFFFAOYSA-N 444.560 5.100 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1cccc(F)c1 9309560 NKFXNLSAFHNYDQ-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB COc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCC(C)CC2)cc1 9489471 LRMCRWGIYVPYMQ-HSZRJFAPSA-N 438.593 6.040 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc2c1CC(C)(C)NC2(C)C 9639873 HBQJKHLQDYCVHP-UHFFFAOYSA-N 436.577 5.490 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cccc2ccccc12 9642388 AESKRMOVTXGMEB-UHFFFAOYSA-N 449.963 5.974 0 40 IKAB COc1ccc(-c2nc(SCC(=O)Nc3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 9674177 XXXROJADDZYWEW-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB Cc1c(C(=O)NC(=S)Nc2ccc(-c3cn4ccccc4n3)cc2)oc2ccccc12 9892038 SZYQGCRJEUYXCB-UHFFFAOYSA-N 426.501 5.183 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1NS(=O)(=O)c1ccccc1 10314979 RFQDCTMSUNOUNG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(-c2ccc(CCC(=O)N3CCN(c4nsc5ccccc45)CC3)o2)cc1 11690011 FBPDDNTWFWKSDW-UHFFFAOYSA-N 431.561 5.146 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1c(C)oc2ccc(OCc3ccccc3)cc12 11866432 NGHQSQPJJRGPCW-UHFFFAOYSA-N 429.472 5.749 0 40 IKAB biogenic Cc1ccc(CCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)o1 12273878 HBYGCPMVSIYDCS-UHFFFAOYSA-N 428.863 5.879 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccccc1Cl 12338462 UDKOBPLTICOJCE-UHFFFAOYSA-N 445.323 5.945 0 40 IKAB CC[C@H](C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 12442357 YRJHIHACYFQHIK-SFHVURJKSA-N 446.532 5.165 0 40 IKAB COCc1cc(C)nc2sc3c(-c4ccccc4)nc(-c4ccc(OC)cc4)nc3c12 12445645 DPXRYYIWZFDSKF-UHFFFAOYSA-N 427.529 6.037 0 40 IKAB Cc1ccc(C(=O)N(CCc2ccccc2)Cc2cccs2)cc1NC(=O)c1ccco1 12785217 KRBBVEJXMKKWNG-UHFFFAOYSA-N 444.556 5.787 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)OCc1nc(-c2ccccc2)oc1C 12825730 XQDRAIVEALRZJW-BUHFOSPRSA-N 433.895 5.554 0 40 IKAB COc1cccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)c1 13058729 CWMAZESHSQWZAL-HSZRJFAPSA-N 436.577 5.047 0 40 IKAB S=c1n(CN2CCC[C@H]3CCCC[C@@H]32)nc(-c2ccc3c(c2)OCO3)n1-c1ccccc1 13097671 KHMOHZCJMGUPHW-NQIIRXRSSA-N 448.592 5.411 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(CSc4cc(C)ccc4C)[nH]c(=O)c3c2C)cc1 14061726 DEUCBHWNEOJKBR-UHFFFAOYSA-N 449.601 5.763 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)CSc2nc3ccccc3s2)c1 14637956 BFOMWPCLWCFMFD-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 15412234 UHOMSRKEAVQQDD-VWLOTQADSA-N 432.495 5.079 0 40 IKAB CC(C)(C)C(=O)N1CCC(C(=O)Oc2ccc(-c3ccc(Br)cc3)cc2)CC1 15601395 XOWJQJZCMAPIGO-UHFFFAOYSA-N 444.369 5.306 0 40 IKAB COc1c(F)c(F)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F 16194427 QMTVVWYYIAXWRC-UHFFFAOYSA-N 446.425 5.458 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1ccc(Cl)cc1 16284344 AIYAETJWBGLZBV-SDNWHVSQSA-N 438.918 6.187 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@@H](c2ccc(Cc3cccc(Cl)c3)cn2)C1 19692220 ADJVCEQAPNTSEF-XMMPIXPASA-N 449.913 5.160 0 40 IKAB Cc1ccccc1Cn1c(=O)n(-c2cccc(Cl)c2)c(=O)c2sc3ccccc3c21 20354879 QDXKBHUWYOPZIP-UHFFFAOYSA-N 432.932 5.377 0 40 IKAB Cc1ccc(CSCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20495377 UCNXSBFAWZFRAF-UHFFFAOYSA-N 430.617 5.611 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1cc2ccccc2nc1Cl 20686375 QUSDTMDCXCAMRA-UHFFFAOYSA-N 432.749 5.030 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)c3ccc(OC(F)F)cc3)o2)c1 22079385 MZVUDVXCFKFGLN-UHFFFAOYSA-N 448.491 5.657 0 40 IKAB Cc1cc(-c2cc(C(=O)N(C)[C@H](C)c3ccc(F)c(F)c3)c3c(C)noc3n2)c(C)o1 23507495 FZPCCNJMCBAEJW-CYBMUJFWSA-N 425.435 5.519 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 26580596 WHDCWXDYGBQFQI-QLNFAEOISA-N 436.511 5.822 0 40 IKAB Cc1ccc(-c2nc(NC(=O)COc3ccc(C)cc3Br)sc2C)cc1 27698673 QURBSZGSECGBMA-UHFFFAOYSA-N 431.355 5.515 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3ccc(F)cc3)n2)cc1 27795514 XLARFNCOIZLBRE-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CC(=O)N(c1ccccc1)c1nc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)cs1 28923018 KWCBWMCCOGTLMX-DEOSSOPVSA-N 437.528 5.817 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4cc(C)c(Cl)c(C)c4)ccc3o2)cc1C 32116609 HWECWUXRSGBVBL-UHFFFAOYSA-N 434.923 6.399 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OC(C)C)cc3)sc2c1 32118684 KQFLWTPHFZZNNM-UHFFFAOYSA-N 427.595 5.553 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3cccc(C)c3C)n2)cc1 32622881 YRUMECPZHPLKLD-GOSISDBHSA-N 443.503 5.435 0 40 IKAB Oc1nc(/C(Cl)=C\c2ccc(Br)cc2)nc2scc(-c3cccs3)c12 33480278 BLDRURCLUSZMEJ-MDWZMJQESA-N 449.782 6.625 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccccc2F)cc1OCc1ccccc1 33608347 RZSKJQCOWAMDJS-UHFFFAOYSA-N 430.273 5.428 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)S1 35042686 WJGNPLMHIUZGTK-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@@H](C)Sc4ccc(Cl)cc43)c12 40150723 SWOYSRWPPNIAKQ-CYBMUJFWSA-N 428.989 5.585 0 40 IKAB COc1cc(C)ccc1Oc1ccc(NC(=O)c2cc3sc(N(C)C)nc3s2)cn1 40155170 KWQDVNNZPDQHPQ-UHFFFAOYSA-N 440.550 5.180 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 41076876 DOXXTSWYPWQTGQ-UHFFFAOYSA-N 425.916 5.608 0 40 IKAB CCc1ccccc1NC(=O)[C@@H](C)Sc1ncc(-c2cccc(Br)c2)o1 45943410 LXCLECZWXZOAIJ-CYBMUJFWSA-N 431.355 5.786 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(C)C)nccn3n2)cc1 67290576 SPTZXYLRMYSRAL-UHFFFAOYSA-N 446.576 5.649 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353867 YAACUEIDVBRMTC-FQEVSTJZSA-N 439.481 5.414 0 40 IKAB O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1csc(-c2ncccc2F)n1 96011104 JQBQFOVRQPXCPE-UHFFFAOYSA-N 433.436 5.103 0 40 IKAB COc1ccc(/C=C2/CCn3c2nc2sc(C)c(C)c2c3=O)cc1OCc1ccccc1 96759147 KVXYTLROGMOGAP-MOSHPQCFSA-N 444.556 5.607 0 40 IKAB COc1ccccc1[C@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 100463488 YMAUOWKZFNZVSE-XIXAVDCQSA-N 433.573 5.503 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@@H]2C(=O)N1c1ccccc1 101003535 CJAFSGJMWMUDMF-PWGHIRGTSA-N 439.461 5.388 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]54)[C@@H]3C(=O)O)cc2)cc1 102093694 ZRHFBCGGZHHNBG-QALHXSLCSA-N 431.532 5.484 0 40 IKAB COc1ccc(CC(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)cc1OC 208010512 JEYWDFDZQGSDPA-UHFFFAOYSA-N 448.519 5.815 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 222555764 NHXYNSQEBACPRZ-OAQYLSRUSA-N 433.017 5.073 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 222984537 WQLYWYRJBXKYPQ-VWLOTQADSA-N 430.548 5.072 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 223094745 KKENIXZSCMBRQO-HNNXBMFYSA-N 425.579 5.115 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C(C)C 223267426 KOHXCYFSEHPAOL-FQEVSTJZSA-N 433.617 6.910 0 40 IKAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Nc2ccc3ccccc3c2)nc1 224052343 JHNXLTIVXRZKBD-UHFFFAOYSA-N 442.544 5.236 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224145381 XKGCJUMYVJBHAB-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 224309925 ZTBVIFTYTUITIL-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 224328319 XQTBYIIBORRTBE-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(C(C)(C)C)cc1 224518914 LQZVFRGCTLFSHZ-UHFFFAOYSA-N 447.575 5.900 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1OC 224582073 AYLHXFMRCAQMJV-UHFFFAOYSA-N 433.548 6.050 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1O 224611136 BBDBZTLCAKSBCB-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224691781 RNEVDAKKMGEAIO-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225164929 MVYVXCOWEJZOEE-SJORKVTESA-N 435.395 5.258 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1OCC(C)C 225760036 CNNZDGCZOMKLHL-UHFFFAOYSA-N 437.580 6.047 0 40 IKAB C[C@H]1C[C@H](C[C@@H]2CC[C@@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 248334807 MBAJXSUVUDTNQG-RLLAOZKESA-N 426.557 5.032 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257278333 OBVPUFONIFSLMS-QHCPKHFHSA-N 431.565 5.020 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 408624614 SYJQULYTOVADTB-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)cc1 408693819 FHYIQUPILRBLOL-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 408696176 XGUKREYYCSSDBL-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408697351 GOHLLSBLHQYEOU-UHFFFAOYSA-N 426.426 5.618 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2C)cc1 408699423 UDPRLEGYACHXOT-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCc2ccccc21 408704806 TVXFCAPISVVEPX-RUZDIDTESA-N 448.975 5.317 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 408804793 BJXVEQOMWBPDLH-TXYGQUSJSA-N 446.423 7.047 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2c(OC)ccc3ccccc23)S1 408808497 MGLLLKQBJNOBKM-UHFFFAOYSA-N 425.917 5.273 0 40 IKAB Cc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(Cl)c(Cl)c1 408828041 VODOLPGXLRJHPF-UHFFFAOYSA-N 439.367 7.345 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 408994207 HGKFFDYBDDXTEX-NRNZPPILSA-N 439.511 5.901 0 40 IKAB Fc1ccccc1CN1C=[N+](Cc2ccccc2F)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 2297735859 AYDMIFJGKNUWPD-VMPREFPWSA-N 439.529 6.504 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5ccc(C)c(C)c5)c(N)c24)CCCC3)o1 756800 ATMOHGVUADCLJZ-UHFFFAOYSA-N 431.561 6.195 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc3c(C)ccc(C)c3cc2C)cc1OC 924396 JKBQDKWAMAOCOC-UHFFFAOYSA-N 437.565 5.248 0 40 IKAB COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)c3ccccc3Cl)n2)cc1 929096 RKNJNDYMCZXATO-UHFFFAOYSA-N 434.948 6.319 0 40 IKAB O=C(CSCC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 984188 IHDBVRGGIMMYJN-UHFFFAOYSA-N 438.163 5.611 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 999472 DKNPZRUGYWSHSX-PNHOKKKMSA-N 444.457 5.157 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2ccccc2)N2CCOCC2)cc1 1236154 NKPRFZGSTQTGKD-QHCPKHFHSA-N 436.577 5.047 0 40 IKAB Cc1sc(Nc2ccccc2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 1354466 LXXHNASCRGXXII-UHFFFAOYSA-N 429.520 6.204 0 40 IKAB Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@H](c2ccccc2)N2CCCCC2)c(C)c1 1720317 WMVITKWUIQLBGX-WUFINQPMSA-N 427.588 6.737 0 40 IKAB CCCCCC(=O)N[C@@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 1787020 BPVNZUGEYRLHQH-ZDUSSCGKSA-N 431.216 5.019 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(C)cc1 2060997 IYIBCSPYVKFRKU-XKZIYDEJSA-N 431.463 5.456 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(C)cc2)N1c1ccc(N2CCCC2)cc1 2177879 KWADJGLMIMVVAH-NDEPHWFRSA-N 438.575 5.832 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2418966 GEAPGPKMAILGQR-JOCHJYFZSA-N 446.890 5.380 0 40 IKAB CCCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OCC)cc1 2752838 QPUNNCBMEQSDBB-UHFFFAOYSA-N 443.952 6.286 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)s2)cc1 3235182 KVWCLKSEBYOMPA-UHFFFAOYSA-N 425.366 5.628 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 3271434 OYOVOMKJZONQIO-UHFFFAOYSA-N 448.828 5.068 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 3314271 RKIYBHHJDYTIHI-UHFFFAOYSA-N 439.895 5.113 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 3376047 CONGWHGUGRCFQN-KRWDZBQOSA-N 443.016 5.444 0 40 IKAB CCOc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 3581590 GXFJOUKIAWCPJD-UHFFFAOYSA-N 434.536 5.958 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2oc3cc(C)c(C)cc3c2C)cc1 3655636 NZMRZXGUVVFFNJ-UHFFFAOYSA-N 437.495 6.896 0 40 IKAB O=C(Nc1cccc2ccccc12)c1c(NC(=S)Nc2ccccc2)sc2c1CCC2 4063205 DVTGMVNYFGENEU-UHFFFAOYSA-N 443.597 6.451 0 40 IKAB Cc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)c(C)c1 5451113 PBTYVFDIQCFSQK-NDEPHWFRSA-N 426.560 6.006 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 8427369 ASJZCGVGFHFWFW-OAQYLSRUSA-N 441.756 6.467 0 40 IKAB COc1cc2nc(NC[C@@H](C)c3ccccc3)n3nc(-c4ccccc4)nc3c2cc1OC 8604974 LPOINARSRQKTQR-QGZVFWFLSA-N 439.519 5.177 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 8943099 DQJOQAIVJHXUHH-INIZCTEOSA-N 432.524 5.408 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c12 8970184 RPPPXYHBFQRXEY-XAYXJRQQSA-N 427.500 6.385 0 40 IKAB CCCCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccccc2c1=O 9124951 QRXCVKQHOZOTBJ-UHFFFAOYSA-N 426.929 5.192 0 40 IKAB O=C(NCCc1nnc(SCc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 9264898 OBQBQSBRBNMIQV-UHFFFAOYSA-N 448.979 5.186 0 40 IKAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 9422892 PONKNTRJZQTVSG-OAQYLSRUSA-N 436.309 5.179 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccc(F)cc2)S1 9431873 PYVPNZPPRXQWOV-DROCLJBVSA-N 443.503 5.521 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc2c(Cl)cc(C(F)(F)F)cn12 9464407 LZNTVNIDCCMADV-SNVBAGLBSA-N 438.862 5.555 0 40 IKAB COc1cc(CN[C@@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCc1csc(C)n1 9464553 LYAFYQNRRPGASI-KRWDZBQOSA-N 434.565 5.076 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 9499619 MYLWSEURNUZBEE-UHFFFAOYSA-N 448.548 5.024 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1C 9499889 QPGVLEACSICXSW-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc1 9593129 QUSFGPHOCHVGFZ-UHFFFAOYSA-N 430.529 5.964 0 40 IKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 9659516 YMIXQBLXCNXVTD-UHFFFAOYSA-N 432.936 6.158 0 40 IKAB CSc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674107 SUJQIXVUYJCRNP-UHFFFAOYSA-N 435.574 5.467 0 40 IKAB C[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)N1CCc2ccccc21 9683568 CHDXNVBQMJIOIJ-GFCCVEGCSA-N 441.965 5.675 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1Cl 9810390 OMJFRPDZNXJDTA-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB COc1ccccc1-c1noc(CNc2ccc(Br)c(C(F)(F)F)c2)n1 10169822 MPPQDHWOBDPWBA-UHFFFAOYSA-N 428.208 5.139 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1ccc(C(=O)OC)cc1 11867277 XWHWCVLHOKZOSD-UHFFFAOYSA-N 435.501 5.153 0 40 IKAB CN(C)c1ccc(C2=NNC(c3ccc(F)cc3)=Nc3ccc(Br)cc32)cc1 12485625 WRCFBOMJRAUCNS-UHFFFAOYSA-N 437.316 5.088 0 40 IKAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@H]2C)c1 12551597 JLYCXJWRLSBINT-PKTZIBPZSA-N 443.591 5.112 0 40 IKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Nc3c2c(=O)oc2ccccc32)cc1 12561727 UWAIOUIGXXBGGQ-QHCPKHFHSA-N 435.483 5.533 0 40 IKAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)cc1 12623326 TVQRUZOFEJQGFU-UHFFFAOYSA-N 432.527 5.634 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc2c1 12705648 GSTCAOLJBVWGNM-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nc2ccc(Br)cc2s1 12857865 GCGSWBXVXAGTCU-UHFFFAOYSA-N 437.362 6.220 0 40 IKAB CCCN(Cc1nc(-c2cccc(C(F)(F)F)c2)no1)Cc1nnc(-c2cccs2)o1 12859273 WLMUDAVCTNFJLI-UHFFFAOYSA-N 449.458 5.279 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 12976134 KZLJLLRGNWROGF-LLVKDONJSA-N 431.699 5.319 0 40 IKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c(C)c1 12978214 VDYUHHLIAPUCSG-CQSZACIVSA-N 446.370 5.544 0 40 IKAB C[C@@H](OC(=O)c1cccnc1Sc1ccccc1)C(=O)c1ccc(OC(F)F)cc1 13100784 RQMJWAIJTWHGEA-CQSZACIVSA-N 429.444 5.262 0 40 IKAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628315 SDLGSPIDNZTRTR-VWLOTQADSA-N 444.575 6.341 0 40 IKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@@H]1c1nnc2ccccn12 14190129 QFOKWNFPGDORDP-OAQYLSRUSA-N 448.979 5.652 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc2c(Cl)cccc12 16347637 MPJLPRHHIKIAKA-UHFFFAOYSA-N 428.944 7.331 0 40 IKAB Cc1ccc(/C=C2/N=C(SCc3ccc(Cl)cc3)N(c3cccc(C)c3)C2=O)cc1 16699400 BPGIMQDWZGTIJK-HZHRSRAPSA-N 432.976 6.634 0 40 IKAB Cc1ccc(-c2nc(C(=O)N(C[C@@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 17344601 VFTINCOEGSHTRL-KRWDZBQOSA-N 435.574 5.554 0 40 IKAB CC(C)(C)CC(=O)N[C@H](C[C@@H]1CCCCN1Cc1cccc2ncccc12)c1ccccn1 19082767 ZBVJBBPYESHMOH-BKMJKUGQSA-N 444.623 5.668 0 40 IKAB Cc1ccc2oc(C(=O)N3CCC(c4nnc(-c5nccc6ccccc56)o4)CC3)cc2c1 19221299 CGWVIENTXFNUQJ-UHFFFAOYSA-N 438.487 5.359 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19293885 CHYCHMQACNLYKK-HJOGWXRNSA-N 438.543 5.157 0 40 IKAB Cc1ccc(OCc2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)cc1C 19928083 ASARPLIWLYMIIH-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CSCc2ccccc2)cc1 20238908 KQPDIJCCNUXLHE-UHFFFAOYSA-N 442.049 6.437 0 40 IKAB CCc1cccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2CC)c1 20616973 XYUDKMOLNLCUJE-OHYPFYFLSA-N 441.531 5.238 0 40 IKAB COC(=O)c1cc2cc(NC(=O)c3sc(Nc4ccc(F)cc4)nc3C)ccc2s1 22246165 QKNDCISMQMEIRB-UHFFFAOYSA-N 441.509 5.588 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255855 KFTJMFIXOPXCLI-GMAHTHKFSA-N 446.595 5.397 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc(Nc2cccc(C)c2C)c1=O 28537089 AMGQAFXEXGGQHS-UHFFFAOYSA-N 445.386 5.073 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccco4)n3Cc3ccccc3)no2)cc1 29257658 TUMLHMKYSBQJFH-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB CCSCn1nnc(-c2ccc(F)cc2)c1C(=O)Nc1cccc(Cl)c1Cl 32611805 VXFQTCRINWLSAY-UHFFFAOYSA-N 425.316 5.354 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccc(F)c(Cl)c4)no3)nn2)cc1C 32951364 NSSHNKDYMBDNQV-UHFFFAOYSA-N 426.904 5.895 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(COc2ccc(Cl)cc2)cc1 32962448 SPFGATYUQJBBBA-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB COc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1Cl 35018446 SQSYWSDNMDLWKW-UHFFFAOYSA-N 439.962 6.139 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501483 PNFZZNRWGMHNOL-UHFFFAOYSA-N 439.849 5.635 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(OC)cc23)cc1 49421534 ZMNWERUKNQJNMV-UHFFFAOYSA-N 434.517 5.219 0 40 IKAB Cn1cc(C(=O)CSc2nnc(-c3ccsc3)c(-c3ccsc3)n2)c2ccccc21 57742489 ASFWXPDUNBFKBE-UHFFFAOYSA-N 448.598 5.795 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58210145 IYEWIHMNXMWHMI-LHUUVIGISA-N 430.592 5.184 0 40 IKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1cccc(Cl)c1Cl 59109434 YYDBFBFOUPSBQQ-UHFFFAOYSA-N 429.225 5.640 0 40 IKAB C[C@@H](Nc1ccc(NC(=O)[C@@H]2CCCN(c3cnccn3)C2)cc1Cl)c1ccccc1 60100686 NAFGYSUFEFKYJK-IEBWSBKVSA-N 435.959 5.158 0 40 IKAB CCOc1c(Cl)cc(C(=O)N(Cc2ccccc2C(F)(F)F)C2CC2)cc1OC 71861309 AZWBLIQFMCKBNI-UHFFFAOYSA-N 427.850 5.571 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CCCC1 72215658 IDCMSFJOEOFNIL-QHCPKHFHSA-N 449.595 6.133 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72229984 IIYDBJWLTFQDMI-IBGZPJMESA-N 436.722 5.989 0 40 IKAB Cc1nccn1-c1ccc([C@H](C)NC(=O)/C=C/c2ccc(OCc3cccnc3)cc2)cc1 79045103 ZQRZVUIDNIPUNT-FZXOMJPYSA-N 438.531 5.045 0 40 IKAB Oc1nc(/C(Cl)=C\c2ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc2)nc2ccccc12 84585310 MVUZHZWMDXZUPW-JZUUQJBKSA-N 448.750 5.944 0 40 IKAB CCN(C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1)C1CCCCC1 96146558 PJJNSELVLRPTOD-UHFFFAOYSA-N 441.579 5.580 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 102736176 SALBNUSWSPILRS-ACRUOGEOSA-N 439.298 5.045 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(-c4ccccc4)cc3)c3ccccc3C2=O)cc1C 105321684 JKYZEVFYDJJQPW-USHMODERSA-N 444.534 6.610 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118927614 OLLAJSNLQPFYSL-VHZNKUSHSA-N 442.728 8.206 0 40 IKAB O=C(NCc1ccc([C@@H](O)c2ccsc2)s1)C1(c2ccc(Cl)cc2)CCCC1 207966604 YMHMHIBXCAALMZ-FQEVSTJZSA-N 432.010 5.673 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccccc3OCCOc3ccccc3)C2=O)cc1 214474455 MVTQHBBPSMFDEC-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)c(Br)c1 218881516 WNZIUOGOJPGICA-UHFFFAOYSA-N 430.264 5.783 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 219765927 PYPYYTQXRVVPCA-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 222442458 KQYDZVODORRFSJ-QHCPKHFHSA-N 445.003 5.139 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)C)cc1 222545884 QLARNLKGTYCYNB-HSZRJFAPSA-N 429.004 5.167 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222812986 TTYINBPFOOAOIX-GOSISDBHSA-N 445.003 5.174 0 40 IKAB COc1ccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 223087470 POWRTJSVPMAUEV-FQEVSTJZSA-N 438.612 5.083 0 40 IKAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493442 CCYCELRTEUWYFR-SANMLTNESA-N 432.539 5.055 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 223603808 ZGPMXGUJFYPSGF-AREMUKBSSA-N 430.592 5.496 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 223656630 HXQPSZDMUJAPQZ-XMMPIXPASA-N 440.653 5.260 0 40 IKAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1C 224035674 OMGARHNSNRHIPN-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224151440 FVTDTKUSDZVACV-HHHXNRCGSA-N 442.603 5.639 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224206646 OXONQQJAJMUWIH-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224244315 JYICRBICVJEBQA-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 224563673 QAUWZAOSBACJHW-DQEYMECFSA-N 446.620 5.801 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C1CCCCC1 224574726 WCQIIXVAWBOHMD-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc2ccccc12 224631160 WBXZCASMMZUHCI-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224726085 RMRYRIXNAAMJBH-BJKOFHAPSA-N 443.528 5.653 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224878482 JYJVZRCERKSRQR-UHFFFAOYSA-N 435.705 5.337 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 225166463 LLBAGXAOAUMHMZ-MRXNPFEDSA-N 440.436 6.242 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)n1 225288026 HUOKJAZDRNGKRP-UHFFFAOYSA-N 431.923 6.246 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@@H](C)C4)cc3)CCCC2)c1 225509866 ZZPBBOGTQSGTDK-ZRZAMGCNSA-N 434.624 5.802 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@@H]4C)cc3)CCCCC2)cc1 225542854 XVGMRQYFNWAWAI-DEOSSOPVSA-N 448.651 6.479 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1O[C@@H](C)CC 225684909 GTIZIUXRQCOAEB-KRWDZBQOSA-N 443.971 6.145 0 40 IKAB COc1ccccc1-c1cc(-c2ccc(F)cc2OCC(=O)O)nn1CCc1ccccc1 257202400 ALQGIPPFQMAXJI-UHFFFAOYSA-N 446.478 5.071 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)ccc1C 408545882 PDMWLVAFWNGQAE-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408640280 IIBGDILVURWCER-LLVKDONJSA-N 431.241 5.312 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 408662031 MJZBFTYPADWWON-IBGZPJMESA-N 447.962 5.933 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3F)nn2-c2ccc(Cl)c(Cl)c2)c1 408698994 QSUMOFYWRFYAHL-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408699356 SYNYPMYAZIBYQN-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(C)cc1 408821099 CLCYDQBPEFNQFH-UHFFFAOYSA-N 426.585 6.842 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccc(Cl)cc2Cl)o1 409008031 UVRADWLNZCLQNB-GFCCVEGCSA-N 438.336 5.556 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1cc(Cl)ccc1C 409111744 CLGFRUIYMGCPPX-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB COc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@@H](c2ccccc2)S3)cc1 409197084 VPLRFNJJSCZTQQ-XMMPIXPASA-N 442.544 5.274 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)c1 409369937 HXRSOGSUTRTTIM-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2ccc(Cl)cc2)nc1Cc1ccc(F)cc1Cl 585266799 PGVRSGQFASEEIM-HXUWFJFHSA-N 446.309 5.553 0 40 IKAB CCOC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2OCc2ccccc2)on1 1857793945 AUESNRPAWFGDLW-UHFFFAOYSA-N 429.472 5.676 0 40 IKAB Brc1ccc(-c2cn3c4ccccc4nc3n2CCNC2CCCCC2)cc1 708904 ZXPASSFBTVHUOW-UHFFFAOYSA-N 437.385 5.641 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 919288 RZPAXJUQVLFKQV-CRAIPNDOSA-N 432.446 5.686 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1 944592 BYWQWVQFVHKJTC-UHFFFAOYSA-N 447.148 5.091 0 40 IKAB CCN(CC)C(=O)Oc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C(F)(F)F)oc2c1 1448158 OMDOVOBEIUQVNW-UHFFFAOYSA-N 435.398 5.328 0 40 IKAB biogenic CCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3c(C)n(C)c4ccc(OC)cc34)c12 2149228 JVQAIJFRGZYKCM-UHFFFAOYSA-N 433.504 5.124 0 40 IKAB biogenic CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CCc1ccccc1-3 2315717 CCYKMANENDITGI-UHFFFAOYSA-N 434.586 5.724 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(O)cc3)sc2c1 2435973 OSBDJMGWIOWAJN-OAQYLSRUSA-N 440.480 5.167 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2C)c(C)c1 2594265 UBGSBIGFVBFJDI-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NCc3ccccc3)c2)cc1 2663149 FHLAMESCXJKTOD-UHFFFAOYSA-N 436.577 5.068 0 40 IKAB Cc1cccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 2690111 ORYGQEHHNCYAOU-UHFFFAOYSA-N 425.463 5.470 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccsc2c1=O 2909270 YZQQITKBNIDBOB-UHFFFAOYSA-N 441.500 5.008 0 40 IKAB CSc1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3268833 FFMRMPCORHXSMZ-UHFFFAOYSA-N 434.542 5.481 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C 3446840 AIBBLDAVWHKKHQ-IIBYNOLFSA-N 445.592 5.856 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 3491100 HACRXGSYGKJJLE-GOSISDBHSA-N 429.549 5.065 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4cccc(C)c4)ncnc32)cc1 3658760 YHYSCHKAOYNREM-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB Cc1cccc(C)c1Nc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(Cl)cn12 4789125 ZVCAJXYHYNQDLD-UHFFFAOYSA-N 429.976 7.744 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 5825364 GJDBNSDHXIUIPN-UHFFFAOYSA-N 429.564 6.181 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1cccnc1)N(C(C)=O)c1ccccc1-2 8453154 CQYVPSZLMWSAAD-QFIPXVFZSA-N 435.553 5.050 0 40 IKAB O=S(=O)(Cc1ccccc1)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 8628533 LVNDFAKBQMCCEG-AREMUKBSSA-N 428.553 5.279 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(Cl)cc3)c2c1 8756695 IHTLPNJHJKQPMS-UHFFFAOYSA-N 438.936 5.782 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)cc3)C2=O)c1 8782814 XYFGDRCVZVEKQB-JCMHNJIXSA-N 428.513 5.337 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1 8810371 WFVGFXDXSHKFJF-UHFFFAOYSA-N 446.931 5.656 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1c(OCc2cccc(C(F)(F)F)c2)ccc2ccccc12 8873615 KBMHCWSLCCITCA-HZHRSRAPSA-N 445.440 6.930 0 40 IKAB CCC1=NN(c2ccccc2)[C@@]2(SC(C(=O)OC)=NN2c2ccccc2)c2ccccc21 9087204 SUVCFNMHHDLBDH-VWLOTQADSA-N 442.544 5.171 0 40 IKAB Brc1cccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)c1 9514618 DBICZMNUCAVXDJ-UHFFFAOYSA-N 436.400 5.199 0 40 IKAB O=C(NCCc1csc2nc(-c3ccc(Cl)cc3)nn12)c1ccc2ccccc2c1 9568938 UJSXDYHUBWTCJJ-UHFFFAOYSA-N 432.936 5.237 0 40 IKAB C[C@H](NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 9870479 DTHSDOZFCCBIAI-UONOGXRCSA-N 441.484 5.064 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc12 10187671 RDOPBAKMRJBGIE-UHFFFAOYSA-N 445.953 5.270 0 40 IKAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 11689942 SXIAYBZIVFKFAZ-UHFFFAOYSA-N 429.867 5.290 0 40 IKAB Cc1ccc2nc(COc3ccc(C(=O)N[C@@H]4CCSc5ccccc54)cc3)cn2c1 11703823 UAQWKBSCKBRATJ-JOCHJYFZSA-N 429.545 5.189 0 40 IKAB CN1/C(=C2\C=NN(c3ccccc3)[P@]2(=O)N2CCCCCC2)C(C)(C)c2ccccc21 12524648 VJDGURYMBYYUJH-KGLNQKBNSA-N 434.524 6.201 0 40 IKAB COc1ccc(/C=C(/CC(=O)Nc2c(C)cc(C)cc2C)c2nc3ccccc3s2)cc1 12566519 NMEODEBWMYMFDD-QNGOZBTKSA-N 442.584 6.800 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 12778040 ZPJYZGRRDSKWFF-UHFFFAOYSA-N 441.466 5.392 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13026940 KZKOBOJGUXKFBN-RUZDIDTESA-N 430.548 5.073 0 40 IKAB CC(=O)c1cccc(NC(=O)/C=C/c2c(C)nn(Cc3cccc4ccccc34)c2Cl)c1 13040122 ANIMXJRZJHQHDT-BUHFOSPRSA-N 443.934 5.901 0 40 IKAB CC[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(C)cc1 13101261 NJKJSGRGOFEUNU-IBGZPJMESA-N 439.909 5.546 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(C)ccc3C)[C@H]2c2ccccc2)cc1 13117272 ZPRXWVXLPPKHKF-ZEQKJWHPSA-N 428.532 5.435 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 13117900 CNUAIWKHCVAGMS-UHFFFAOYSA-N 440.572 5.242 0 40 IKAB COC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccc(OC(F)(F)F)cc1 13564621 XMNIOUVPLXMJHI-UHFFFAOYSA-N 432.373 5.305 0 40 IKAB Clc1ccc(-c2nnc3sc(CCc4nc5ccccc5s4)nn23)c(Cl)c1 13607782 LKYUJQSLXZJPBW-UHFFFAOYSA-N 432.361 5.555 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc(Cl)ccc1OC 14084691 IYCCNCYLDNZLOW-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)n2)cc1 14376124 HCCALJFJNVNMGP-UHFFFAOYSA-N 449.146 6.080 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@@H]1c1ccc(OC)c(OC)c1 14608115 SERQONPIDLCSKS-JOCHJYFZSA-N 433.533 5.505 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)oc2cc1C 16284198 ZQCKAFUTJAAVAR-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2c(C)cccc2C(C)C)cc1 16309353 FNBCCKTXQPPEHM-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 16890395 CEGPDVIRRUWRDF-UHFFFAOYSA-N 439.587 5.243 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 17097379 DIFJLINNTVPGBO-UHFFFAOYSA-N 431.319 6.634 0 40 IKAB CCOc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4ccccc4)nc32)cc1 17315337 NSHAURYANURPAD-UHFFFAOYSA-N 427.576 5.196 0 40 IKAB O=C(c1ccncc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19349227 JOGSOQSFVBXCAY-LSQMVHIFSA-N 449.957 5.004 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1 19400866 MOESNYMGMDZECT-RUZDIDTESA-N 427.539 5.010 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)c2)cc1 19691089 LPQVTCSWJYQAEV-UHFFFAOYSA-N 439.559 5.496 0 40 IKAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccc4ncccc4c3)n[nH]2)cc1F 19703636 RXDBYSLOHRYOAD-VWLOTQADSA-N 434.490 5.195 0 40 IKAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)c3ccc4ncccc4c3)CC[C@]21C 19713679 IBCQEUWCRTXYOQ-LEAFIULHSA-N 441.575 5.119 0 40 IKAB Cc1ccc(C)c(N2CCN([C@H](c3ccccc3)c3nnc(-c4ccccc4F)o3)CC2)c1 20178560 IWRQLJFTIUYNSZ-RUZDIDTESA-N 442.538 5.404 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 20382430 ALRHMKZGRDQMTR-UHFFFAOYSA-N 446.572 5.695 0 40 IKAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(=O)c2cc(C)ccc21 22234813 AQHWBUCUENZEMO-UHFFFAOYSA-N 442.359 5.620 0 40 IKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1ccc2cc(OC)ccc2n1 32868782 CJZZVMHIPGSJRG-UHFFFAOYSA-N 446.334 5.041 0 40 IKAB CCCCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)CCCC)CC[C@@H]12 34336974 XCWCTQWBFLVNMT-RIWVVKKCSA-N 440.624 6.740 0 40 IKAB in-vitro COc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4ccccc4Cl)c(C)nc32)cc1 35288560 IPMHUPZWNBWNNQ-UHFFFAOYSA-N 435.915 5.402 0 40 IKAB Cc1ccc(Nc2c(-c3cc(Br)ccc3O)nc3cnccn23)cc1Cl 35616253 KQHGGYZMKOMYLN-UHFFFAOYSA-N 429.705 5.570 0 40 IKAB O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 38257064 FMXAWRCGHYGXPB-XDOMSBSOSA-N 434.511 6.463 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@H]1CCOc2ccccc21 40119056 OFMQBUOPIWTJOF-KRWDZBQOSA-N 426.925 5.216 0 40 IKAB COc1cccc(-c2nc(-c3ccccc3OCC(=O)Nc3ccc(Cl)cc3)no2)c1 40488362 WBAXNZVUOQQTES-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cc(OC(=O)[C@@H](N)CCCCN)cc2c1[C@]1(C)CC[C@@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 43154457 FETXNEPHJSHBDW-XICLYOTNSA-N 440.672 5.413 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(Br)c1 59294258 NGYUTKRNQVFQRE-ZRDIBKRKSA-N 427.323 5.236 0 40 IKAB COc1ccc([C@@H](C)Nc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1OC 67262216 KPRLHCXXWUSWNV-MRXNPFEDSA-N 425.492 5.135 0 40 IKAB Cn1cc(-c2nc(C(=O)N(c3cccc(N4CCCC4)c3)C3CCCCCC3)cs2)cn1 72290487 YMBBRVDRBSENFJ-UHFFFAOYSA-N 449.624 5.513 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 72356185 QOIRDXZTRMJEHU-HSZRJFAPSA-N 445.538 5.098 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2cccc(Br)c2)cc1 95116827 CGJJEGUXFMMKRQ-JOCHJYFZSA-N 435.321 5.449 0 40 IKAB CC(C)Oc1ccc([C@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 96115369 YJVPGCBTCMTAJV-DHLKQENFSA-N 441.483 5.112 0 40 IKAB biogenic COc1cc(Cl)c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1OC 102672192 MAERJVOHQDQDFS-CJKMCJCZSA-N 442.781 5.420 0 40 IKAB O=C1/C(=C/Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1c1ccccc1Cl 103004507 CRDOSEJMSWVHOR-LTGZKZEYSA-N 428.919 5.859 0 40 IKAB COc1cc(C2SCCS2)ccc1OC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103876981 OBIFTGIWDMLCAR-RKOMNEFPSA-N 425.015 5.657 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1C 107626503 XLNWFRHWZVRTDC-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 113965359 ZWFPRJXQEYZKRE-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB O=C(O)c1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1 213256847 UAENRXJVZBWAOY-XDHOZWIPSA-N 438.892 5.065 0 40 IKAB CCc1ccc(OCC(=O)NCCSCc2cccc(Cl)c2)c(Br)c1 218860161 JIBZYTLKWFAGQC-UHFFFAOYSA-N 442.806 5.093 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 223016441 PAEFFBNHZHUASA-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2)cc1 223385155 IZSMOKSAPODFEK-HBVBNRCBSA-N 448.588 5.431 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 223736409 WUGYHBKMQJDRPF-DEOSSOPVSA-N 440.653 5.342 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223739514 BPNUGBOTNFITFE-AREMUKBSSA-N 436.640 5.775 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223774799 GWQBTMNZDXRNGH-BJKOFHAPSA-N 427.529 5.527 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1Cl 224140940 NWPKPDJPPKRDPS-OAHLLOKOSA-N 430.331 6.072 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224143522 PCRVTTXVQHMWJP-VWLOTQADSA-N 444.575 5.085 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 224239055 QJCZLMIKMWETHK-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)c1 224294991 RRZJQQUURUQCID-DQEYMECFSA-N 439.588 5.120 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COc1ccc(Cl)c(C)c1 224550147 PYXGSBVUVUVKLE-UHFFFAOYSA-N 427.903 5.695 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NCC(C)C)cc1 224732943 XUDJRQMSGAWVST-DEOSSOPVSA-N 443.031 5.415 0 40 IKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Br)c1 224886373 WIJZFBXHGSOKOW-UHFFFAOYSA-N 446.366 5.340 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3Br)o2)cc1 224908446 PNMKJPPVFWQBSJ-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3F)CC1)CC(C)(C)O2 225587219 PUNXDVFVVSBWNX-QFIPXVFZSA-N 444.978 5.418 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 225672988 GPHWANZASOEFDH-IBGZPJMESA-N 429.004 5.025 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)c1 225699922 COZKVJSMDRPYBO-FQEVSTJZSA-N 429.358 5.973 0 40 IKAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N(Cc1ccccc1)Cc1ccccc1 225809054 PMGXZULBOPCJHY-UHFFFAOYSA-N 431.923 5.552 0 40 IKAB COc1ccccc1[C@@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1cccs1)N2Cc1ccccc1 245227912 YMAUOWKZFNZVSE-AXJZPPOTSA-N 433.573 5.503 0 40 IKAB CN(C)c1cccc(C(=O)N2CCC[C@@H]2c2cccc(-c3cccc(C(F)(F)F)c3)n2)c1 257275172 NOEWGMVSQRVTRU-HSZRJFAPSA-N 439.481 5.811 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)Sc1nc2ccccc2[nH]1 408635203 YBTIKWBCFHBFJN-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408645037 UGJUPFYDKIRKNI-CQSZACIVSA-N 435.749 5.019 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408646093 VKSVBPGKCUGWDL-AWEZNQCLSA-N 443.728 5.247 0 40 IKAB CCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408749128 DRTSUTONDOJKFT-UHFFFAOYSA-N 425.579 5.287 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(OC)cc1 408835327 WMMDVBLIOLJHJG-UHFFFAOYSA-N 431.355 5.786 0 40 IKAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccccc1Cl 409101422 YFTVTMPGKJREKV-UCQKPKSFSA-N 437.948 6.403 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 409110102 RHNSDLMGVIBYLB-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264589 IVZQFOXETZTQOU-DWQJTFDBSA-N 428.500 5.175 0 40 IKAB COc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)cc1C 643576620 WZBFGLSUSCWMGG-UHFFFAOYSA-N 443.591 5.766 0 40 IKAB CCN1CCCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582330 SPGDIZSUFXEHIT-VWNXMTODSA-N 426.601 5.041 0 40 IKAB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 720710 JLVOTLFWEAVBET-FCHUYYIVSA-N 442.298 5.566 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 918124 MBCSHGNNTJIEPV-LRTDBIEQSA-N 432.446 5.049 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 992837 QODHGENRVQGWLM-UHFFFAOYSA-N 442.298 5.594 0 40 IKAB C=Cc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2)cc1 2098376 DJAQKLXCJFNJQJ-UHFFFAOYSA-N 428.484 6.008 0 40 IKAB biogenic CCCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 2107028 MKYPRURZVRYSAR-RCZVLFRGSA-N 449.982 5.087 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C(C)(C)C)cc2)cc1 2202675 HKGZWCIDVYHJSV-UHFFFAOYSA-N 442.559 5.839 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)c(F)c4)c23)cc1 2379259 KNTXIQZYEKCPLR-UHFFFAOYSA-N 427.501 5.676 0 40 IKAB Cn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccc(F)cc1 2621327 PDFYSYQDZRZBOJ-FQEVSTJZSA-N 436.487 5.232 0 40 IKAB FC(F)n1nccc1-c1nnc(Nc2ccn(Cc3c(Cl)cccc3Cl)n2)s1 2731253 VJOCGPWCPCGIDI-UHFFFAOYSA-N 442.282 5.092 0 40 IKAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3247955 BXFJROGIOXFYHJ-UHFFFAOYSA-N 428.838 5.001 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1 3303848 ZMCRXPSQMTWYOQ-UHFFFAOYSA-N 446.576 5.447 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4cccs4)n3-c3ccccc3)cc(=O)oc2c1C 3347738 DWRUMYPKGALHDD-UHFFFAOYSA-N 445.569 6.011 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 3765491 DFTWORVGCQVMNX-JOCHJYFZSA-N 444.749 6.575 0 40 IKAB CC(=O)Nc1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(NC(C)=O)cc2)cc1 6073748 RZMUUJBNVYDKHL-UHFFFAOYSA-N 434.539 5.986 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2-c2ccccc2)c1 6442761 NXVYQZNQZDRMKB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1 8784511 AABXFDKTICFRPG-KRWDZBQOSA-N 439.544 5.333 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F)c1ccccc1Cl 8810377 PLSPTYGJMKOJLQ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2ccc(OC(F)F)cc2)n1 8917478 RZTCXCMPJQPVFD-UHFFFAOYSA-N 435.883 5.584 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccccc4F)o2)N3)C1 8920897 RDLMXSYGKOQUHY-PEBXRYMYSA-N 438.568 7.117 0 40 IKAB CC(=O)c1ccc(NC(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)cc1 8991492 FQIOXAJLNAZPIR-UHFFFAOYSA-N 443.455 5.114 0 40 IKAB CCN(CC)CCCn1cnc2c(c1=N)[C@H](c1ccco1)c1ccc3ccccc3c1O2 8994114 MDOKIMLPQSILGN-QFIPXVFZSA-N 428.536 5.127 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 9027207 NAMABJSELLQDDL-UHFFFAOYSA-N 449.407 5.817 0 40 IKAB C[C@H]1CSC(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 9125581 INAASPQVKXJWMI-MGPUTAFESA-N 430.957 5.036 0 40 IKAB CCN(CC)CCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CCC3 9161324 PIBLNVOKERKWNL-UHFFFAOYSA-N 443.686 5.717 0 40 IKAB O=C(Nc1ccc2c(c1)OCCCO2)c1cn(Cc2ccccc2)nc1-c1cccs1 9336496 QWTJAZJVWFSRIS-UHFFFAOYSA-N 431.517 5.074 0 40 IKAB CC(C)[C@H](NCC(=O)Nc1ccccc1Cc1ccccc1)c1ccc2c(c1)OCCCO2 9387089 DURMWSIALPGTGF-NDEPHWFRSA-N 444.575 5.364 0 40 IKAB COc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1 9404454 WAMWQYFTOPOURE-UHFFFAOYSA-N 443.528 5.672 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc21 9491210 IIGXCTOOSLGEPD-MRXNPFEDSA-N 432.574 5.066 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(Cc5ccccc5)cc4)n3)oc12 10748109 UJVUJUDGGKWNBV-UHFFFAOYSA-N 440.524 6.408 0 40 IKAB Cc1ccc(OCc2nc(C)c(C(=O)N[C@@H](C)c3ccc(-n4ccnc4)cc3)s2)cc1 12548238 FPGMCWKYKXCFGY-KRWDZBQOSA-N 432.549 5.016 0 40 IKAB FC(F)Sc1ccc(NC2=NN=C(c3ccc(Br)s3)CS2)cc1 12549007 ZPUUCAQCJQGREE-UHFFFAOYSA-N 434.356 5.744 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 12565548 QFBGLAUKNDIICH-KRWDZBQOSA-N 445.563 6.680 0 40 IKAB COc1ccc2cc(CNc3ccc(NC(=O)C4CC4)cc3C(F)(F)F)c(Cl)nc2c1 12606930 OWQNTGYYXUSBLH-UHFFFAOYSA-N 449.860 5.876 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)cc2Cl)NC(=O)N1 12619182 DVIPWRFCRIISGI-INIZCTEOSA-N 444.240 5.279 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 12851172 SOMFPVJZPZDSKJ-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN[C@@H]1CCCc2c1[nH]c1ccc(C)cc21 12864260 MMPRIJBNPCMKRF-RKBWIGQPSA-N 432.608 5.902 0 40 IKAB biogenic Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 13025562 VIMIVZWCMBDDIQ-HSZRJFAPSA-N 436.577 5.135 0 40 IKAB Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)cc1C 13227144 ADFAZDZMXBUMOM-UHFFFAOYSA-N 445.588 5.393 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1 13498334 WNKYJPWDXBITPT-SANMLTNESA-N 446.616 5.741 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3)cnc2n1Cc1ccc(Cl)cc1 13509806 KRGRXGJULHYKCU-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2Cl)o1 14198105 HDXUYFRLMWEWCH-UHFFFAOYSA-N 437.710 5.618 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Nc2ccccc2)cc1OC 14608043 BBXQHBXNZSZXNT-QHCPKHFHSA-N 428.492 5.445 0 40 IKAB Cc1ccc(-n2c(Sc3ccc(C(F)(F)F)cn3)nnc2-c2ccccc2)cc1C 15981071 GPJNFACWLWRBMU-UHFFFAOYSA-N 426.467 6.116 0 40 IKAB CCOc1cc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc(C)cc1 16185152 HHHHBJZFEWIROB-OAQYLSRUSA-N 436.533 5.145 0 40 IKAB Cc1ccc(NC(=O)CSc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)cc1C 17181027 JCEKKQWULRUSCM-UHFFFAOYSA-N 448.975 6.196 0 40 IKAB CCCc1cc(=O)oc2cc(OCC(=O)N[C@H](c3ccccc3)c3cccs3)ccc12 18536892 QPMGLLLGTJYECR-RUZDIDTESA-N 433.529 5.092 0 40 IKAB COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19235946 YPMYTOKLIJGYTK-ATIYNZHBSA-N 435.612 5.048 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19236815 ADGJBNCZRZMHMZ-CPJSRVTESA-N 435.518 5.052 0 40 IKAB O=C([C@H]1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19690400 JPAKYXOJAPYBQP-OAQYLSRUSA-N 428.498 5.587 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2c1NCc1ccc(F)cc1 20382494 XKBJYZJPPCDMAK-UHFFFAOYSA-N 426.900 5.472 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccccc1 20482269 DZDWJNVEAZRVEJ-QHCPKHFHSA-N 436.577 5.029 0 40 IKAB CSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(Cc1ccccc1)C3 20827205 GMXAFXYKZAGVOZ-UHFFFAOYSA-N 433.602 5.036 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccccc1Cl 21157518 YNIBBNDUGLTZNM-UHFFFAOYSA-N 430.942 5.196 0 40 IKAB C[C@]1(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CCCC2)CC1(Cl)Cl 21601528 KODHJRHHWSDLKU-GOSISDBHSA-N 428.747 5.245 0 40 IKAB COc1ccc(-c2csc3c(=O)n(Cc4cccc(C(F)(F)F)c4)cnc23)cc1OC 23126662 DDDNDANXTQXBQV-UHFFFAOYSA-N 446.450 5.209 0 40 IKAB O=C(CCc1ccc2c(c1)OCO2)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 24714229 SXNQHKWQQYHEFA-FQEVSTJZSA-N 446.934 5.431 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccc(F)cc3)n2-c2ccc(F)cc2)n1 24755950 SECGJPXOWNYTCU-CYBMUJFWSA-N 427.480 5.401 0 40 IKAB COc1cc(CN[C@@H](C)c2ccccn2)cc(Br)c1OCc1ccccc1 25358887 DESOZMNQRVQKIS-INIZCTEOSA-N 427.342 5.283 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(CSc2ccccc2)cc1 27918364 KTECVDLYWVLROO-UHFFFAOYSA-N 430.573 5.857 0 40 IKAB C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 32825932 GGCYOYZMCFWMKH-QGZVFWFLSA-N 444.966 6.260 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3F)sc2c1 33000539 MJZNAHXRMBWNSP-UHFFFAOYSA-N 431.558 5.541 0 40 IKAB Cc1cccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(Cl)ccc4n3)cc2)c1C 33068287 HHTZBNBOTIXPLG-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2C)cc1 33582214 SCHMHFQHGBGZIJ-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB CCn1c(SCCn2cccn2)nnc1-c1cc(-c2ccccc2)nc2ccccc12 40157813 KEWPCNAUUPNWBM-UHFFFAOYSA-N 426.549 5.169 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3c(c(N)c2[C@@H]1c1ccc(-c2ccccc2)cc1)CCCC3 40422630 ZRWLPNPYQIGISH-XMMPIXPASA-N 439.559 5.604 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 57313786 FLRNXAYQWWLFQB-UHFFFAOYSA-N 428.985 6.557 0 40 IKAB CC(C)(C)c1cnnn1-c1ccc(-c2csc(-c3ccc(Br)cc3)n2)cc1 65595636 JAHCKOQSMXFRMV-UHFFFAOYSA-N 439.382 6.118 0 40 IKAB CC(=O)Nc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCCC3)c1 71284745 CWTCFINBUZGNPC-DEOSSOPVSA-N 447.579 5.182 0 40 IKAB Cc1nc(C[C@H]2CCCN(C(=O)CC3CCCCC3)C2)cc(Nc2ncc(C)s2)n1 72382297 BAHJIXVQZRDTFG-LJQANCHMSA-N 427.618 5.045 0 40 IKAB O=C(Nc1cccc(-c2cc(-c3ccccc3)c3ccc(Cl)cc3n2)c1)c1cccs1 79047159 WCNDABHISPCLJP-UHFFFAOYSA-N 440.955 7.536 0 40 IKAB Cc1csc(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1 100219421 HDOORHUHLXMOKP-MAEOIBBWSA-N 432.549 5.359 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@H]21 100747797 ILMDZPHZUORDBY-AUSIDOKSSA-N 447.362 5.831 0 40 IKAB biogenic COc1cc2ncc(S(=O)(=O)c3ccccc3)c(Nc3ccc(C)c(C)c3)c2cc1OC 100894599 SAVZENMLUWBMRE-UHFFFAOYSA-N 448.544 5.445 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 105563761 HBTAJJAUVNDCJS-OSWQYVSFSA-N 445.434 6.363 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C(=O)N1CCOc1ccccc1 106761398 QGHOBNZSWRNWBE-ZHZULCJRSA-N 425.893 5.715 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)N[C@@H](C)c3ccccc3)c2C)cc1 138997563 IPTIVMLPUUNFPZ-FQEVSTJZSA-N 438.527 5.553 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215049422 QDOCABXEPUHLSE-VCHYOVAHSA-N 427.323 5.475 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 222984477 WQLYWYRJBXKYPQ-RUZDIDTESA-N 430.548 5.072 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079692 DKUIMKVDLQAFDK-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CCOC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2F)sc2c1CCCC2 223125051 WTRNFUGRPBQPCG-UHFFFAOYSA-N 441.977 5.468 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)C(C)C 223970009 WBBLIDPOJUUPFC-HSZRJFAPSA-N 440.540 5.062 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccc(-c2ccccc2)cc1 224215716 APYNWDLWMTUGOE-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224245866 VXFQKYSLYRESFK-SFHVURJKSA-N 433.017 5.012 0 40 IKAB CCN(c1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 224354665 VDVJIVNAHPBIGB-UHFFFAOYSA-N 430.529 5.307 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 224446422 WRFQJXSULQFKBR-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc2ccccc2c1 224639088 WJGXXADSJCZHDR-UHFFFAOYSA-N 425.528 5.790 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COCc1ccccc1 224745182 KFUOATIITYJPQV-UHFFFAOYSA-N 444.358 6.039 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NC3CCCCCCC3)o2)c(OC)c1 224938355 SCASSDPZBVSOMW-UHFFFAOYSA-N 434.536 5.869 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 224976519 FNIWCDKNIPAILO-CQSZACIVSA-N 441.786 5.133 0 40 IKAB COC(=O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032806 PABKFMGNWMUBGM-GOTSBHOMSA-N 447.560 5.043 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 225199704 KZZGLVGTFURPAK-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225417152 YMYLWLNIMFFUHK-VWLOTQADSA-N 438.612 5.085 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCOCC2)cc(C)c1OCc1ccccc1 225581223 ISHABANRURBTCB-UHFFFAOYSA-N 449.978 6.223 0 40 IKAB S=C(Nc1ccc(Br)cc1)NC1(CCc2ccc(Cl)cc2)CCCC1 225846473 VBVZFYSNTSYNNP-UHFFFAOYSA-N 437.834 6.335 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCCC3)n2)cc1 225943308 TYYXGRPMUGJOIF-UHFFFAOYSA-N 433.581 5.054 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccncc1 245228859 HUQRNDUHICMJEI-CXRGAMMBSA-N 430.529 5.220 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1 245295544 HAQUBYZYPMXCSI-OTSSDEFXSA-N 438.571 6.634 0 40 IKAB Cc1ccccc1N=c1scc(-c2ccc(Br)cc2)n1-c1ccccc1C 252665977 ABZCQTWCNXGMMS-UHFFFAOYSA-N 435.390 6.818 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(Cl)c(Cl)c4)CC3)o2)cn1 257309454 UAZXTAWUWDUXCG-SHTZXODSSA-N 445.350 5.451 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408545540 UMTFROGLAGVAEN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)cc1Cl 408573718 KCOFHAHOJLQVLA-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OCC 408603178 BGORQJPMNXRDCI-UHFFFAOYSA-N 449.691 5.493 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2cccc(Cl)c2)cc1 408695291 PNFHZNGPNUKUCZ-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CCOc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1OC(=O)c1ccccc1 408843396 MEFRXLQAYZHHFA-IBCOTZFFSA-N 439.467 5.314 0 40 IKAB O=C1S/C(=C/c2cc(Br)c(Br)o2)C(=O)N1CC1CCCCC1 409132640 LDKJUILUGFXLCJ-KPKJPENVSA-N 449.164 5.421 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc(Cl)cc3Cl)cc2)cc1 409179391 MIJNFMLHWQXQRC-UHFFFAOYSA-N 449.355 5.633 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409337990 AVMXOJLOJIKCFH-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccc(Cl)cc1 409375045 DSUCISKCPOYGJV-NRFANRHFSA-N 440.952 5.687 0 40 IKAB Cc1c2c(c(C)n1-c1ccccc1)C=CC(=C/C=C/C1=[N+](C)c3ccccc3C1(C)C)C=C2 685944248 GMQPDZWSJOKRAR-UHFFFAOYSA-N 431.603 7.323 0 40 IKAB CCc1cc2c(cc1[C@H](CCc1ccccc1)NC(=O)CCc1ccccc1)OCCO2 668006 KSOYOSMTBNKVPW-VWLOTQADSA-N 429.560 5.443 0 40 IKAB COc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)c(C)cc2c1 875779 FJGIUCAAVAUUAZ-UHFFFAOYSA-N 440.568 6.107 0 40 IKAB CC1C[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@@H](C)C1 885405 TYSKRDIOCOSDQX-GJZGRUSLSA-N 449.542 5.389 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccncc2)n1C1CCCCC1 924473 SCUAROOTKLIKFI-UHFFFAOYSA-N 441.988 5.538 0 40 IKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)c1 1300160 HENCRDRZCWAPOJ-UHFFFAOYSA-N 433.602 6.437 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccccc1F 1333678 WNUPDTGPGTVPIT-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(Cc1ccc(F)cc1)C(=O)c1ccco1 1341794 NBMCSCVKPKJJND-JOCHJYFZSA-N 440.540 5.313 0 40 IKAB Cc1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 1367147 SSMCMOYIDHIEGR-QHCPKHFHSA-N 447.604 5.515 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCC1)Cc1ccccc1-2 1782969 HKWXKCBKHOOIDF-UHFFFAOYSA-N 430.617 6.468 0 40 IKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1sc2ccccc2c1Cl 2160898 VKEIERXKQVKMFT-UHFFFAOYSA-N 438.902 6.816 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 2619837 MBDMFXDQSOOABU-UHFFFAOYSA-N 448.519 5.087 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccc(OC(C)C)c3)nc3ccccc23)c1 2760038 BGVYOEHXCDSVDW-UHFFFAOYSA-N 442.515 5.959 0 40 IKAB C[C@H]1Cc2ccccc2N1c1nc(S(=O)(=O)c2ccc(Cl)cc2)c(Cl)s1 3192527 BTXOXBKUDJGJGP-NSHDSACASA-N 425.362 5.365 0 40 IKAB Brc1ccc(OCCSc2nnc(-c3ccco3)n2-c2ccccc2)cc1 3293667 CHNDONJTVSCUBK-UHFFFAOYSA-N 442.338 5.461 0 40 IKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2cccc(I)c2)cc1 3330608 CRCJRUOCMCYIHW-UHFFFAOYSA-N 437.321 5.386 0 40 IKAB Cc1ccc(C)c(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)c1 4174565 KJORDJNCXCUSDH-WSCWJOSJSA-N 433.548 5.722 0 40 IKAB biogenic Cc1c(Cl)ccc2c(C(=O)O[C@H](C)C(=O)c3ccccc3)cc(-c3ccccc3)nc12 8383656 XXKJUDFNRUSOHS-QGZVFWFLSA-N 429.903 6.292 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 8656867 SJWRWGBEMKQUEW-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccc(C(C)(C)C)cc3)Cc3ccco3)no2)cc1 8673976 NMYZDKKALQLCBE-UHFFFAOYSA-N 428.532 6.383 0 40 IKAB CCN(CC)CCCN(Cc1cc2ccc(C)c(C)c2nc1O)C(=O)NC1CCCCC1 8677471 VBLQQVZWDKIYLH-UHFFFAOYSA-N 440.632 5.133 0 40 IKAB O=C1S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)N1c1cccc(O)c1 8820707 KPQWINPYSAZURS-MTJSOVHGSA-N 437.904 5.866 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccnc4Cl)cc3n2)c(C)c1 8832217 ZURSSTUUKQLVRK-UHFFFAOYSA-N 448.958 5.184 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Cl)cc1 9095198 GEHUVNRFVIJIAY-RUZDIDTESA-N 443.934 5.704 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 9111822 HIHIPDZUSHOVBI-OAHLLOKOSA-N 447.589 5.388 0 40 IKAB O=c1[nH]c(CSCCCOc2ccccc2)nc2scc(-c3ccc(F)cc3)c12 9256819 UKFSJCVIRPPVIS-UHFFFAOYSA-N 426.538 5.493 0 40 IKAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 9296377 MCMILQIDCOHNQV-UHFFFAOYSA-N 428.989 5.104 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 9307176 CNUPOLPJLZPEBG-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1cc(Br)ccc1Cl 9367678 MCACVHCPLAFYNB-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnc3sc4ccccc4n23)o1 10022223 JPQLSACFTBPATQ-UHFFFAOYSA-N 446.517 5.250 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(=O)NC2CC2)c1 10205338 DZDMBGNVDIJEIV-UHFFFAOYSA-N 444.318 5.112 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2C)cc1 10357355 NJSKPWWYHMIQKE-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@@H]1c1nn(C)cc1Cl 12133822 AGQBDDRZOMHYSV-QGZVFWFLSA-N 433.339 5.448 0 40 IKAB COc1ccccc1-c1ccccc1CC1(C(=O)NCc2cccc(F)c2)CCOCC1 12231465 KFXMEGPSMQTYDS-UHFFFAOYSA-N 433.523 5.157 0 40 IKAB O=C1NC(c2ccccc2)=C(c2ccc3ccccc3n2)[C@H](c2ccc(OC(F)F)cc2)N1 12560396 BBEKMJWTPJFAHM-DEOSSOPVSA-N 443.453 5.759 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1cnc(Cl)c(Cl)c1 12776947 MFZVZXUXOZZZKZ-NRFANRHFSA-N 434.250 5.492 0 40 IKAB CCOC(=O)c1sc2nc(CN3CCCCC3)nc(Oc3ccc(Cl)cc3)c2c1C 13031547 VLMUOYXAACPQPW-UHFFFAOYSA-N 445.972 5.608 0 40 IKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc1 13083817 PLDZKPHADIAWPZ-GOSISDBHSA-N 445.972 5.082 0 40 IKAB COc1cccc([C@@H]2S[C@@H](C)C(=O)Nc3c2c(C)nn3-c2ccccc2Cl)c1OC 13995352 UQYJHHINUISCIB-RBZFPXEDSA-N 443.956 5.015 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 14270833 GFKGUKMGLQIWQU-UHFFFAOYSA-N 441.965 5.953 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1Cc1ccccc1)C(=O)c1c[nH]c2ccccc12 15278565 UXUOWKIMDTXHOE-KRWDZBQOSA-N 439.544 5.233 0 40 IKAB COc1cc(CNC2CCCCCC2)cc(Br)c1OCc1ccccc1F 16195840 GIIAWFJIDOSTCG-UHFFFAOYSA-N 436.365 5.988 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)Nc1cccc(C(F)(F)F)c1 16492532 QBXPVCLHXWGBQN-UHFFFAOYSA-N 439.462 6.046 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 16610706 GWIITDJOPKEIAB-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(C)c4)ccc3O)nc2c1 17097576 JKNGUBGIEARAHS-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17097831 WIHZSJUVHFJMMR-RMKNXTFCSA-N 432.332 5.483 0 40 IKAB CC(C)(C)c1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccccc4Cl)cc3o2)cc1 17112933 SYONEMPFDFBGES-UHFFFAOYSA-N 431.919 6.663 0 40 IKAB biogenic Cc1sc(NC(=O)c2cnc(Cl)c(Cl)c2)nc1-c1ccc(OC(F)F)cc1 19206078 DJNUKLVLBJDUTH-UHFFFAOYSA-N 430.263 5.674 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc4ccccc4c3)o2)cc1Cl 19645461 GPUMWRNEVHBYLQ-ACCUITESSA-N 446.959 6.588 0 40 IKAB CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712008 CEUBCDXCORPJPD-FCHUYYIVSA-N 442.531 5.779 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20457981 WYNAYOGITSJCOW-GOSISDBHSA-N 432.800 5.854 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20731139 OVDXCSOIDUCBDU-LJQANCHMSA-N 438.742 5.076 0 40 IKAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCc1ccccc1Cl 22075661 AXFRMDRLKLJNLM-UHFFFAOYSA-N 425.400 5.403 0 40 IKAB O=C(Nc1nc2ccccc2[nH]1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 23190758 DXARSGIINCNMPB-UHFFFAOYSA-N 439.319 5.039 0 40 IKAB Cc1ccccc1NC(=O)c1nc(SCc2ccc(F)cc2)ncc1Br 28403487 KLHSDWYQCASGHQ-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C/c2ccccc2)=NC=C1c1ccccc1 31740078 WNVFKEPKFBWOQI-ZNJGXVOXSA-N 437.586 8.453 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccc2ccccc2c1 32115504 HETNRXXJRMSFDK-UHFFFAOYSA-N 434.829 6.832 0 40 IKAB CSc1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 33021930 FWMOSILHVBZNCR-UHFFFAOYSA-N 426.954 5.861 0 40 IKAB O=C(O)/C=C/c1cc(Br)c(OCc2cccc(F)c2)c(Br)c1 33702241 LZDCHYUIHQSEKC-SNAWJCMRSA-N 430.067 5.028 0 40 IKAB CCC[C@H](C)N[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 33784957 CCDWAUMLYUPPOD-JLHGSKIFSA-N 442.625 5.508 0 40 IKAB COc1cc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@]5(C)[C@H]4CC[C@]3(C)C2=O)cc2c1OCO2 35324153 FBJLPYMCBZFUML-LUEBOWJYSA-N 436.592 6.419 0 40 IKAB Cc1ccc(CSc2nc(CC(=O)Nc3nc(-c4cccnc4)cs3)cs2)cc1 38488573 ZMFLDWPPROHNCT-UHFFFAOYSA-N 438.603 5.444 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cnc2c(-c3cccc(Cl)c3)cnn2c1C 38829654 LBCKZTJQDKIBHS-UHFFFAOYSA-N 427.291 5.272 0 40 IKAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 40069866 CWBOLENGVDXYLQ-FQEVSTJZSA-N 440.543 6.169 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 44936325 FHKFVPZKNLDARY-JOCHJYFZSA-N 435.395 5.482 0 40 IKAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 67296128 MDIFYEPRXRXQIJ-BWAHOGKJSA-N 431.395 5.273 0 40 IKAB CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4cccc(F)c4)C3)cc(C(F)(F)F)n2n1 72341092 DIMZKUNJWVMYLH-HNNXBMFYSA-N 448.464 5.205 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cc1 72349884 WSMPPSWYXNSUNT-OAQYLSRUSA-N 447.966 5.304 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)c(C)s3)n2)cc1 72375576 HJJWYYYGMOSOEO-NRFANRHFSA-N 436.581 5.412 0 40 IKAB CC[C@@H]1Oc2cc([C@@H](C)NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O 78950894 MDPMFSADSSYKMA-GGUMNFRJSA-N 444.531 5.108 0 40 IKAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1OC(C)C 85411781 QNMCPILMAIXJHZ-NRFANRHFSA-N 429.586 5.754 0 40 IKAB C[C@]12CC3CC(CC(=O)Nc4ccc(Oc5ccc6c(c5)OCO6)cc4)(C1)C[C@](C)(C3)C2 100228396 RRRTZONZVFZPRT-DLMGBWJJSA-N 433.548 6.533 0 40 IKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 102644156 LFXJNFCJVQGAAZ-AVGNSLFASA-N 440.744 5.251 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)cc3)o2)cc1C 107995528 AZAOUNVTEPNPFA-UHFFFAOYSA-N 429.339 5.453 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccc(C)cc1 113959000 TWVTXWMBCDRRNR-GDLZYMKVSA-N 440.631 6.331 0 40 IKAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1cccc2ccccc12 214858084 VAWFRCHQNGNILW-YBFXNURJSA-N 442.309 5.978 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(C(C)C)cc1Br)CC(C)(C)O2 218877430 GSFXJMQQFBNYDX-LJQANCHMSA-N 446.385 5.678 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(Cl)ccc1OCc1ccccc1 219762889 JBKJMNQINSLNAU-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222785727 KVOPELBGKHTBTH-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223193361 WYKRVLQUUUENCI-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223441213 PEFLYJSQORVZGB-QHCPKHFHSA-N 426.576 5.043 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 223710757 GPFZEMIBVYHTNX-GOSISDBHSA-N 429.004 5.124 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCc3ccc(Cl)cc3Cl)c2)cc1 223954645 MGADWIKQMDJWNO-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cc(C)cc(C)c3)c2)cc1Cl 224195644 AWSHGDPPCHJLGD-UHFFFAOYSA-N 425.912 5.805 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1C 224280348 DHESPFPWKPMKGR-LOSJGSFVSA-N 443.547 6.275 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224344057 MBIOHPRIEZCJME-LOSJGSFVSA-N 442.563 5.751 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 224363492 VRFVULCKIQAHKV-LOSJGSFVSA-N 430.621 6.299 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCCC1 224396954 HZEAGZGUSMHNBH-RPBOFIJWSA-N 448.611 6.321 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)c1 224533364 VXRXRRDNANHTNM-VGOFMYFVSA-N 440.952 5.410 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(Br)ccc2Cl)sc2c1CCCC2 225069746 XXBCKDIMHKOBDY-UHFFFAOYSA-N 428.735 5.082 0 40 IKAB C[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C(C)(C)C)cc1 225406114 JFAYWVSXDCTYEH-LBPRGKRZSA-N 425.823 6.448 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC(C)CC4)cc3)CCCC2)c1 225510267 IALZNKBNNZHUKO-UHFFFAOYSA-N 434.624 5.946 0 40 IKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1OCC(C)C 225823570 IKPNMECCSKEJMB-UHFFFAOYSA-N 435.605 5.704 0 40 IKAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225961440 ATATVMDSBWZSGM-RBUKOAKNSA-N 447.608 5.695 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 248328626 BZNIIOGSANMIET-OAVWAEFTSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro O=C(N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1)C1(c2ccccc2)CCCC1 257230945 GEOWOJLAKYXZRB-RUZDIDTESA-N 429.539 5.382 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4cc(OC)ccc4[nH]3)o2)c1 257336216 YNOTYTWGZKXILL-DEOSSOPVSA-N 445.519 5.131 0 40 IKAB CCCc1ccc(-c2cc(=S=NS(=O)(=O)c3ccc(OC)cc3)ss2)cc1 408729793 DBVIBSJVLZYPPJ-UHFFFAOYSA-N 437.633 5.625 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccccc2Cl)cc1 409038583 PLUHEBJTPZKSFK-JCMHNJIXSA-N 434.948 5.523 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2)c1ccc(Cl)cc1Cl 409115489 RUITYZSYVWITCO-UHFFFAOYSA-N 446.359 5.833 0 40 IKAB COc1cc(CNc2ccccc2Cl)cc(Br)c1OCc1ccccc1 409180607 XZXLBOJTRXRVPT-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 409231934 GFLPXVVBQKZXOO-WOJGMQOQSA-N 449.334 5.274 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc4ccccc34)cc2)cc1 409356970 HRUSKAXFNYPCPT-UHFFFAOYSA-N 444.556 5.520 0 40 IKAB Cc1cc2c(cc1-c1ccnc(N3CCN(c4ccccc4)CC3)n1)[C@@H](C)CC(C)(C)N2 575473154 JVVSNRJUJCMGKG-FQEVSTJZSA-N 427.596 5.476 0 40 IKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2Cl)n1 585264978 DDDSEQVWKXSMAA-UHFFFAOYSA-N 429.875 5.628 0 40 IKAB COc1ccc(-c2c(Cl)nc(NCc3ccccc3)c(=O)n2-c2ccccc2)cc1OC 642859 WQZIUNNFLFDNBO-UHFFFAOYSA-N 447.922 5.182 0 40 IKAB COc1ccc(N(C(=O)C2CCCCC2)c2nc(-c3ccccc3)c(C)s2)c(OC)c1 643364 SBCXDGNLQTYAPI-UHFFFAOYSA-N 436.577 6.381 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)[C@@H](F)C(F)(F)F)Nc1cccc2ccccc12 716908 YZSBYYGLWUYEHG-KRWDZBQOSA-N 428.332 6.356 0 40 IKAB O=C(CSc1nc(-c2cccnc2)n[nH]1)N(c1ccccc1)c1ccc2ccccc2c1 856394 PKZWNMNIGGXIGF-UHFFFAOYSA-N 437.528 5.477 0 40 IKAB Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccncc2)c1C 936557 INJHXBJTRLLNRR-UHFFFAOYSA-N 434.952 5.575 0 40 IKAB O=C(COc1ccc(Cl)cc1)Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1732275 KFULSRNXLHJCFQ-UHFFFAOYSA-N 434.917 6.591 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3C(C)(C)C)n2)cc1 1916371 XZLJVGBWHCKFHP-UHFFFAOYSA-N 438.593 6.222 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2084128 NPELMCYHPDNKJR-UHFFFAOYSA-N 430.891 5.984 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)c1C 2093585 UZUNTKGCUACQCP-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)s1 2421307 MJZGIHIOGXCUQJ-NRFANRHFSA-N 445.544 5.389 0 40 IKAB COc1ccccc1Cn1cc2c(-c3ccc(C)c(C)c3)nnc-2c2cc3c(cc21)OCO3 2690119 MVTQRBPZPLYTOT-UHFFFAOYSA-N 437.499 5.606 0 40 IKAB O=C1C2(CCC13COC(CCC1CCCCC1)OC3)COC(CCC1CCCCC1)OC2 3074185 JVJSDHFHHCPXCG-UHFFFAOYSA-N 448.644 5.789 0 40 IKAB O=C(CSC(=S)NNc1ncc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1 3128190 YUBJHVMWVPECAL-UHFFFAOYSA-N 440.299 5.225 0 40 IKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCC(=O)Nc3ccccc3C(C)C)c2C)cc1 3375659 IDSBJKXHNQXGKJ-CCEZHUSRSA-N 445.563 5.175 0 40 IKAB CCc1c(C)sc2nc(-c3ccc(C(=O)N4CCCc5cc(C)ccc54)cc3)[nH]c(=O)c12 3433415 KELBGKLEIJYWDO-UHFFFAOYSA-N 443.572 5.424 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)cc1 3764389 HZKBLFFPLGDEPX-UNOMPAQXSA-N 441.961 6.629 0 40 IKAB CC[C@@H](/C=C/[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4073274 WAIQWYALYSCYLA-HUKBQCLJSA-N 426.729 8.455 0 40 IKAB biogenic Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@@H](C)O)c4)cc3N2)cc1 4163453 ZCLHYOSGLYGZBR-DJKXOVBDSA-N 444.457 5.157 0 40 IKAB Cc1c(C(=O)c2ccccc2)c2cc(OC(=O)c3ccccc3)ccc2n1-c1ccccc1 8400133 XRRVZASLSJHSNF-UHFFFAOYSA-N 431.491 6.389 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c(F)c1F 8831854 MXQVPCDGQXMATC-UHFFFAOYSA-N 446.425 6.089 0 40 IKAB CCOc1ccc(-n2c(SCc3cc(=O)n4c(C)csc4n3)nc3ccccc32)cc1 9022666 FUAVINBCTPKSIE-UHFFFAOYSA-N 448.573 5.094 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccccc2N2CCCCC2)cc1 9221404 GVYPJHQTQWNXFJ-UHFFFAOYSA-N 447.579 5.062 0 40 IKAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)c1sc2cc(Cl)ccc2c1Cl 9273223 JZLLZMWNIASWDN-UHFFFAOYSA-N 440.311 6.664 0 40 IKAB Cc1cc2nnc(SCC(=O)c3ccc(NC(=O)CC(C)C)cc3)n2c2ccccc12 9507290 YYYWSFZWHXUUOM-UHFFFAOYSA-N 432.549 5.151 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3c(Cl)ccc(C)c3Cl)o2)cc1 10045086 WUGKEFLZJHZTLQ-UHFFFAOYSA-N 447.318 5.380 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(C)cc(C)c4)cc3C[C@@H]2C)cc1 10326592 QXKMBIOHMPKFEA-IBGZPJMESA-N 434.561 5.004 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCC[C@@H]1c1nc2ccccc2s1 10372617 KOTFSJJJKAICIN-LJQANCHMSA-N 432.549 5.018 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 11023473 UWWLVTRGDGSABB-KRWDZBQOSA-N 441.000 5.005 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 11088104 COYXKENZRWYIDL-QGZVFWFLSA-N 446.938 5.835 0 40 IKAB Cc1ccc(-c2csc3nc(CNc4ccccc4N4CCCCC4)[nH]c(=O)c23)s1 12528353 SOEABJWXLDWIFU-UHFFFAOYSA-N 436.606 5.624 0 40 IKAB O=c1[nH]c(CN(Cc2ccccc2)Cc2ccccc2)nc2scc(-c3ccccc3)c12 12619305 YKSFIGAYGSUVAU-UHFFFAOYSA-N 437.568 5.854 0 40 IKAB O=C(COC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)c1ccc(Cl)cc1Cl 12619745 VJNKDQNELWDCCQ-PHBHNISSSA-N 443.370 6.258 0 40 IKAB Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c34)CCCC5)o2)cc1 12636084 RLIIIJCBAGSGOV-UHFFFAOYSA-N 434.590 6.098 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)c(Cl)c1 12853038 OJIYULXDJLYUEN-OJXHRBAXSA-N 431.363 5.123 0 40 IKAB O=C(Nn1c(Cc2ccccc2)nc2ccccc2c1=O)c1ccc(-c2ccccc2)cc1 13084191 FQCQAVIFRKFYLT-UHFFFAOYSA-N 431.495 5.038 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 13109692 PRCXBUHNKLLJOH-HXUWFJFHSA-N 440.591 6.106 0 40 IKAB COc1cccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)c1OC 13305952 NUQHSPZVZCBSDR-JOCHJYFZSA-N 443.528 5.236 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 13498218 AUPRRYMASNKLOI-DEOSSOPVSA-N 436.577 5.021 0 40 IKAB O=C(NCCSCc1ccccc1F)c1ccc(CN2CCc3ccccc3C2)cc1 13669600 WTVCHRLWOSEIAT-UHFFFAOYSA-N 434.580 5.047 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3C[C@H]2C)cc1S(=O)(=O)Nc1cccc(C)c1C 13675757 BGYXSHICSCWPOK-GOSISDBHSA-N 434.561 5.004 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 13683897 IEXSTSBFKSWMKT-HNNXBMFYSA-N 447.373 5.118 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 14273052 YSLSCVXAJSFXKT-FMIVXFBMSA-N 443.330 6.500 0 40 IKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1OC)C[C@@H]2c1cccnc1 14607636 UFJJIBRFJXKCKQ-XMMPIXPASA-N 438.531 5.639 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@H]1CC2 15305014 VFXUNXVHKCKVQJ-CYXNTTPDSA-N 443.628 5.938 0 40 IKAB CNC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCC2 16916844 YSQVDGJFBXJASC-UHFFFAOYSA-N 427.529 5.064 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 17099281 QQGFYXDBHLAKNA-UHFFFAOYSA-N 434.923 6.507 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cccc2ccccc12 17099365 BTSFBQUIWGTVRK-UHFFFAOYSA-N 435.115 5.626 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c1 17099604 ZOGXNZGKMISVQX-UHFFFAOYSA-N 435.515 5.439 0 40 IKAB COCCCn1c(C)cc(C(=O)CSc2nnc(Nc3cccc(C)c3)s2)c1C 21243810 JHNGOVICPHYXTJ-UHFFFAOYSA-N 430.599 5.020 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504480 POBSRTOGJMLXDR-UHFFFAOYSA-N 446.359 6.292 0 40 IKAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccc(OCc4csc(C)n4)c3)CC2)c(C)c1 24454870 MIHDUFJXGBANHU-UHFFFAOYSA-N 448.588 5.382 0 40 IKAB O=C(Nc1cccc(Cl)c1)N(Cc1nc2n(n1)CCCCC2)c1ccc(Cl)cc1 28527538 WYUHLLBJSSCHCL-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB C[C@H](c1nc2cc(Cl)ccc2n1Cc1ccccc1)N1CCN(c2ccccc2O)CC1 29450002 HXMNWZQIADNDPO-LJQANCHMSA-N 446.982 5.327 0 40 IKAB COc1ccc(-c2noc(-c3sc(NC(=O)c4cccc(Cl)c4)nc3C)n2)cc1 31813811 VWBIXMSBRODUTO-UHFFFAOYSA-N 426.885 5.083 0 40 IKAB O=C1CCN(C(=O)c2cccc(COc3ccccc3Br)c2)[C@H]2CCCC[C@@H]12 35679128 MSEUBFSLANQSIS-QUCCMNQESA-N 442.353 5.002 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)cnc2c1-c1cccc(Cl)c1 38829811 VJTGMHWSKKRKOI-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 40257524 IXRQAAHIJUDIRQ-NRFANRHFSA-N 425.532 5.198 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)c1 41076885 SEFGZZQNWJNKNG-UHFFFAOYSA-N 435.980 6.086 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4cccnc4)cc(C(F)F)c3c2N)cc1OC 44903718 MAHWRIAGSUYAOL-UHFFFAOYSA-N 441.459 5.126 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(Cl)c1 44940189 YBHDXYJXKYOUJJ-UHFFFAOYSA-N 448.950 5.327 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1F 46005294 OBNHXASECQBCFV-UHFFFAOYSA-N 442.519 5.728 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(OC(C)C)cc4)c(C)c3s2)n1 72228707 HLPBNLQWOMYBCF-UHFFFAOYSA-N 434.565 5.755 0 40 IKAB CCc1c(CN2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc2n1C 72361009 CKJYGHLQPFDEDC-QGZVFWFLSA-N 446.620 5.042 0 40 IKAB O=C(NCc1ccoc1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 84489923 CZGVSTAOWUMFFK-UHFFFAOYSA-N 430.233 5.311 0 40 IKAB CC(C)c1sc(NC(=O)c2nc(N3CCCC3)ncc2Cl)nc1-c1ccccc1 84622420 FUFJNTYUGDQSIT-UHFFFAOYSA-N 427.961 5.229 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(OC)cc1OC 102878253 TVTRBAXBXFBBBM-VWLOTQADSA-N 434.536 5.906 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)OC5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 118933545 PSZQIJKWYLUAAC-XMLICAENSA-N 442.640 6.373 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 222460011 JUHPQBADAYJKGI-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 222573052 MLXMIMAYNSBZDG-LJQANCHMSA-N 434.967 5.025 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 224199904 HFHQVSIVYIENEK-LCXHTYQMSA-N 443.631 6.829 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 224240229 FJWDPSWGBWOXNV-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1N(C)S(=O)(=O)c1ccccc1 224295823 GVLFWWBLCDVLPT-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc2ccccc2c1 224316081 DOAFTKXNGYFLIZ-UHFFFAOYSA-N 440.499 5.638 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224665386 NKOYRTFCLQKGRJ-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224842898 NGMZQNANFZCNIG-FQEVSTJZSA-N 438.587 5.187 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 224939092 CQAFWIZHDYSWHQ-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225282370 FINRZTSKVIQPQR-SJORKVTESA-N 435.395 5.176 0 40 IKAB Cc1cccc(-c2noc(CNC(=S)Nc3ccc(CSc4ccccc4)cc3)n2)c1 225814757 HTMIWABPUXPKCR-UHFFFAOYSA-N 446.601 5.824 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 260788342 YZYXAYNRCWHIMY-NQERJWCQSA-N 443.403 6.159 0 40 IKAB O=C(Oc1cccc(N[N+](=O)c2cccc(OC(=O)c3ccccc3)c2)c1)c1ccccc1 368085315 CQNSVCMCVYABTQ-UHFFFAOYSA-N 439.447 5.563 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)cc1 409006771 LKMFWUFNDZRLNO-LBPRGKRZSA-N 438.336 5.556 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc(Cl)c1 409057307 JQMNEGUZLPRMBH-NDENLUEZSA-N 431.941 5.762 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(OC)c2)cc1 409114616 HROCSGOKRBUTKA-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2N[C@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 621354133 YUIUKRJDNWRPDI-OZXSUGGESA-N 430.548 5.359 0 40 IKAB O=C(C1[C@H]2CCCC[C@H]12)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643588312 CUTXMOXVSNXVJO-SVBPBHIXSA-N 444.663 6.812 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931840 PKFKREPGECCOGM-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccccc4Cl)C3)n2)cc1 1359991 PUVFTYUPNAXOCE-GOSISDBHSA-N 445.972 5.082 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3F)c(=O)[nH]c2c1 1371293 HYRNQAXMTXDFSD-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(=O)c3cccc(Br)c3)c2)cc1 1512775 NZMKJIQFXDCVER-UHFFFAOYSA-N 439.309 5.352 0 40 IKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3cccc(C(F)(F)F)c3)c2c1 1775636 KZRNEHNSRBAYRB-UHFFFAOYSA-N 432.398 5.351 0 40 IKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)c(C)oc3c2)cc1 2098906 QZALDLPMRCUMQO-UHFFFAOYSA-N 442.467 5.902 0 40 IKAB biogenic CCSc1nc2c(c3nnc(SCCC(C)C)n13)C1(CCCC1)Cc1ccccc1-2 2263453 QAVGAYNCLPWBAO-UHFFFAOYSA-N 438.666 6.409 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)cc1 2297916 BFAKPWDCFGDPEH-UHFFFAOYSA-N 425.536 5.085 0 40 IKAB COc1ccccc1C(=O)Nc1nnc(-c2ccccc2SCc2ccccc2)s1 2304749 FKILKOZUKZKVGZ-UHFFFAOYSA-N 433.558 5.758 0 40 IKAB CCOc1ccc(NC(=O)CSc2nccc(-c3cc(Cl)cc(Cl)c3)n2)cc1 2809365 QDKHZWXSWIALJQ-UHFFFAOYSA-N 434.348 5.580 0 40 IKAB O=C(O)c1ccc(Oc2ccc(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)cc2)cc1 3012189 XDMQEIGTWKUZHQ-UHFFFAOYSA-N 446.480 5.802 0 40 IKAB COc1cnc(SCc2c(Cl)cccc2Cl)nc1Oc1ccc(Cl)cc1 3133204 ZIDCHMKXFMKOKM-UHFFFAOYSA-N 427.740 6.530 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1ccccc1F 3224355 ZHETUCITDBYHPX-UHFFFAOYSA-N 432.904 5.435 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(s2)-c2ccccc2CC3)cc(OCC)c1OCC 3231567 ZQLRFZKFWKDKSI-UHFFFAOYSA-N 438.549 5.357 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636723 NHAJZQUDKTVZIR-QUCCMNQESA-N 428.598 5.222 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@@]21C)C(C)C 4074061 BYLDLYWTMFKRNR-TYMFLOGQSA-N 430.717 6.997 0 40 IKAB biogenic CN(C)C1CCC(C=C(C2CCC(CC(=O)O)CC2)C2CCC(CC(=O)O)CC2)CC1 5328173 YLXHHZLPSSQYLX-UHFFFAOYSA-N 433.633 5.595 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1cc(O)ccc1Br)c1c(C)[nH]c2ccccc12 8396954 CHPCWYLATYMLCE-UHFFFAOYSA-N 445.360 6.914 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)c1 8752736 IFBAXSATOWTKLP-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1Cc1ccccc1 8753295 DQBOYKNAJYTEPR-GOSISDBHSA-N 433.914 5.393 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2C)cc1 8753939 WQYLOCVAQCAKJH-UHFFFAOYSA-N 433.489 5.225 0 40 IKAB CCCCn1c(SCc2cc(=O)oc3c(C)c(C)ccc23)nnc1[C@H](CC)N(C)C 9216949 GXZCFMXDOSNPPE-IBGZPJMESA-N 428.602 5.106 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cc(Cl)cc(Cl)c3)cc2)CC1 9233280 ZSPHWIYINLDTER-UHFFFAOYSA-N 437.392 5.418 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(Cl)c2)cc1 9414041 RHYHGWAPNGRKNH-UHFFFAOYSA-N 434.879 5.990 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)cc4)c3n2)cc1OC 9934559 XIMBPEYKADSYHT-UHFFFAOYSA-N 447.844 6.085 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 9968794 JCFLNZVFMNLMEO-UHFFFAOYSA-N 444.943 7.031 0 40 IKAB Cc1cccn2c(NC(=O)COc3cccc(Br)c3)c(-c3ccccc3)nc12 12524799 QGHRFJKAXBFULF-UHFFFAOYSA-N 436.309 5.090 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4CCc4ccccc4)cc3)sc2c1 12537800 IXBHRARTRYQYIO-UHFFFAOYSA-N 448.591 7.309 0 40 IKAB c1ccc(-n2cc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)c(-c3cccs3)n2)cc1 12559503 IFGSUKJQXHQCDU-MHZLTWQESA-N 445.551 6.590 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccco1)c1c(ncn3nc(-c4ccccc4)nc13)O2 13816593 ZDKBTSCUKZQZNW-OAQYLSRUSA-N 446.470 5.164 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)nc2c1 13946102 MFAKRCPRSZNYGH-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)cc1 14084508 NJJMJZYWTWMDQM-UHFFFAOYSA-N 427.504 5.390 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4cccc(F)c4)ncnc32)c1 16757720 WUIXRBJLOCOMLI-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c(Cl)c1 17102818 FZNAMSLHOPXXDA-UHFFFAOYSA-N 438.914 7.376 0 40 IKAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 17724676 NWNQOAZCDWMOGB-QIRPYFFCSA-N 435.564 5.002 0 40 IKAB biogenic C[C@@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)C1)c1ccccc1 19459162 GWLXLHAGDCXGNK-BTHPGYMESA-N 444.570 5.213 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccc(Cl)c2)N2CCOCC2)c1C 19938410 GNPURGMZPRJTLQ-FQEVSTJZSA-N 430.957 5.285 0 40 IKAB CCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672296 JEBWBEUNIQWFOW-HSZRJFAPSA-N 435.524 5.076 0 40 IKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1cccc2ccccc12)c1ccccn1 20745242 YOGUTBPPMCRVEP-UHFFFAOYSA-N 438.552 5.900 0 40 IKAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 21331342 MODKXLFNXCJTTB-DOTOQJQBSA-N 444.457 5.167 0 40 IKAB COc1cc(NC(=O)Nc2nc(-c3cc4ccccc4o3)cs2)cc(OC)c1OC 22479700 ZEHULPPDDBHYJX-UHFFFAOYSA-N 425.466 5.226 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C(C)(C)C)cc2)CC1=O 27792453 GTSWDXPIBAMHDE-FQEVSTJZSA-N 433.596 5.529 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(C)cc3Cl)nc2cc1Cl 32127962 PVAXJWKBTGSNJN-UHFFFAOYSA-N 426.350 5.047 0 40 IKAB Cc1cc2nnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)n2c2ccccc12 33710433 LCXQQCBKQWJKKC-SANMLTNESA-N 448.551 6.389 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccccc1OC 35311773 SHXOYYWZMMODMP-UHFFFAOYSA-N 427.932 5.194 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 35648066 SNTQQFGSORAUPR-WQRHYEAKSA-N 429.328 6.644 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c1 57488244 WBQLKDAFPBEDRQ-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 58160426 ASIJORRVWBKIIA-RUZDIDTESA-N 427.548 5.026 0 40 IKAB CC(C)c1ccc([C@H](NCC(=O)Nc2ccccc2C(=O)NC2CC2)c2cccs2)cc1 58170518 MDOCNGHVYVKMOT-VWLOTQADSA-N 447.604 5.081 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc2c3c(cccc13)CC2)[C@@H](c1ccccc1)C1CCCC1 67194119 IOEOKVOYHXSRMC-CONSDPRKSA-N 445.606 7.118 0 40 IKAB Cc1cc(Cl)ccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293043 DYDQUPRWFMOYAA-IFMSOTMUSA-N 431.319 5.189 0 40 IKAB COc1cc2c(cc1OC)[C@@H](CCc1c(C)noc1C)N(C(=O)c1ccc(C)s1)CC2 72342721 BSQUNXDNCDDUBP-HXUWFJFHSA-N 440.565 5.051 0 40 IKAB CC(=O)NCC1CCC(c2c(C(=O)N(C)CCc3ccccn3)sc3ccccc23)CC1 72348372 XESYUKNSTLJOPY-UHFFFAOYSA-N 449.620 5.021 0 40 IKAB OC1=C2C(=Nc3nc(SCc4ccccc4Cl)nn3[C@H]2c2cccc(O)c2)CCC1 102656990 OCDOTKKQCJEZIH-FQEVSTJZSA-N 438.940 5.601 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@@H]21 102987140 JCMRXPLXUHWJKN-SAZLYLDSSA-N 436.599 6.622 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1OCC(C)C 106707002 GESMKESZAQJFES-XKZIYDEJSA-N 425.550 5.665 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 107944016 YCVQZIGFPNVNJM-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C 118936405 HIKOFMOIGVJKRE-XHWMTODDSA-N 444.744 7.484 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4CC5(CC[C@]4(C)[C@H]3CC[C@@]21C)OCCO5 119171258 GPAYFLROALHUFV-IXTGJRFUSA-N 428.701 7.771 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1 216250025 APPHQDNTRURYPC-WIOPSUGQSA-N 434.561 5.243 0 40 IKAB Cc1ccc(CN(C(=O)CCCOc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222770124 QLRDMLDLJKXRAQ-LJQANCHMSA-N 445.003 5.139 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222910746 ODQSOEQUYQRMAL-LEWJYISDSA-N 428.964 5.293 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C 223510015 DIZYHALUHNZOGB-RPBOFIJWSA-N 439.588 5.057 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224049687 XGAVSPSJKOOJMS-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cc(C)cc(C)c1 224194183 MRGDJTMRQFLBAF-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 224366198 NWSKNCVKVCLGKK-XMMPIXPASA-N 441.015 5.366 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 224529864 HPOCBSGSXBEVHD-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 224556192 MLBJWOFSTZCDCW-XMMPIXPASA-N 440.653 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1OC 224577013 SSZKRPCUZRLXHE-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 224773886 PAURLWMUPVMVOW-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224834540 BSXXRFSXZLNORN-LJQANCHMSA-N 443.031 5.514 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224846844 BLCODSSDPNIYLB-MHZLTWQESA-N 442.603 5.011 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 224911794 PRFNWEUTRFWDKP-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1Cl 225009617 KPEJAPZSBBGKCJ-FGZHOGPDSA-N 440.975 5.580 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225164750 MLINCDTTXPWBBI-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB O=C(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CCc3sccc3C2)CC1 225689045 HGKZICXGLZZBNL-UHFFFAOYSA-N 437.008 5.731 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccccn2)CC1 257206165 BCDJRSMXYQPKKF-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB Cc1ncc(CNC[C@H]2CC[C@H](c3cc(C(=O)NC(C)C)c4ccccc4n3)CC2)s1 257288657 PVCCTFPWPMCDSR-WGSAOQKQSA-N 436.625 5.202 0 40 IKAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 257308174 TVSJOHKXERYDOO-AQYVVDRMSA-N 440.547 5.226 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3cc(F)ccc23)C1 257340569 ZGSNDKLNLIDRLV-KRWDZBQOSA-N 449.595 5.660 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 408608769 PQIJKUKYBDDHJZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(C)c3)n2)c1 408697504 JXQRNNHMSWRCFF-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB O=C(Nc1ccc2nc(SCc3cccc(F)c3)sc2c1)c1ccccc1Cl 408750661 QAQADPQTFDKYLY-UHFFFAOYSA-N 428.941 6.633 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 409102004 XOBLUCKCLIDRIG-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CCCN1CCCCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581860 FAVUGYLVHYREDN-NOZRDPDXSA-N 442.644 5.678 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccc(F)cc4Cl)sc3n2)c1 661268 OQJLHHRXXWKEDT-UHFFFAOYSA-N 427.888 5.599 0 40 IKAB CC1C[C@@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@H](C)C1 885403 TYSKRDIOCOSDQX-HUUCEWRRSA-N 449.542 5.389 0 40 IKAB O=C(Cn1c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)cc2sccc21)c1ccccc1 1324425 HAJRYHTYXOGQOW-HXUWFJFHSA-N 448.544 5.000 0 40 IKAB Cc1cc(C(=O)CSc2cccc(C(F)(F)F)c2)cc(C)c1OC(=S)N(C)C 1397549 YVTFJAQSBFISBJ-UHFFFAOYSA-N 427.513 5.523 0 40 IKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(C(=O)c2ccccc2)cc1 1513023 YFNPAVURISJYQF-UHFFFAOYSA-N 437.318 5.542 0 40 IKAB CCCC[C@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1635369 HTVPDYDMQDWRDO-BJKOFHAPSA-N 436.420 5.696 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1)c1ccccc1 1771720 UPEJYRYJXZBKDW-UHFFFAOYSA-N 434.447 6.472 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccccc1OC 1782401 RESZEQUIMAVKOT-JLHYYAGUSA-N 441.936 5.906 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc(Cl)ccc1Cl 2151716 WTPZFZKHMVHCQS-UHFFFAOYSA-N 438.176 5.832 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(-c3cccc(F)c3)c3nc4ccccc4nc23)cc1C 2370836 RCFIBQGPNWRLFG-UHFFFAOYSA-N 425.467 5.164 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3sc(C(=O)Oc4ccccc4)c(Cl)c23)cc1 3243459 VYTAHAXPPLHOCB-UHFFFAOYSA-N 444.943 6.935 0 40 IKAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1c(F)cccc1Cl 3292406 NYGILQKFZRJXBD-ZDUSSCGKSA-N 439.915 5.288 0 40 IKAB O=C(CC1CCCC1)O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 3366014 AKXMXXPRJCJWOE-FQEVSTJZSA-N 439.861 6.162 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccccc2C)cc1 3491102 HACRXGSYGKJJLE-SFHVURJKSA-N 429.549 5.065 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1OC 4554738 YTWHFQUXBVUVIA-VFNWGFHPSA-N 428.598 6.125 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccnc2)nc2ccccc12 6146365 QCWXBYVYQRVRNC-UHFFFAOYSA-N 425.488 5.216 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)c1 6886550 CFBRTPXUUBFYFJ-PXLXIMEGSA-N 444.512 5.462 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccc(Cl)cc2)c1 8614129 GXIOYDPRYKWDSP-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(S[C@@H]3CCOC3=O)n2-c2ccccc2Cl)cc1 8622051 IVOIQEYQYXUQDT-GOSISDBHSA-N 427.957 5.293 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)cc1 8752264 SJBQKMVHDZQCFQ-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8755669 PPPJNGNYPKEZLV-QGZVFWFLSA-N 449.913 5.406 0 40 IKAB CCCS(=O)(=O)c1c(Nc2c(C)cccc2CC)sc(C(=O)c2ccccc2)c1N 8768547 JMJXTGQLXGFIJC-UHFFFAOYSA-N 442.606 5.359 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)c1 8828159 QZUKJRQITFRACY-HSZRJFAPSA-N 431.539 6.067 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc(Br)cc(Br)c1OC 8832271 SRRLGKKEEPQRMO-UHFFFAOYSA-N 449.526 5.135 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8915470 OYXBTXKXOMIFEV-GOSISDBHSA-N 428.743 5.233 0 40 IKAB COc1cc(CCC(=O)N[C@H](c2ccccc2)c2cc3ccccc3o2)cc(OC)c1OC 9513823 KQYIRBIZDVVRQS-AREMUKBSSA-N 445.515 5.297 0 40 IKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1C 9561419 YMWZNTIPFSXZJY-NRFANRHFSA-N 425.866 6.487 0 40 IKAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)n(C2CCCCC2)c1C 9909178 NPDOUOVBRUARET-UHFFFAOYSA-N 445.938 6.408 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)c3)oc2c1 10035194 BNMMSIQVBRGSDZ-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB CCOc1ccc(-n2c(SC[C@@H](O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 10188631 AERRHYDIDCETJX-HSZRJFAPSA-N 447.560 5.167 0 40 IKAB CC(=O)N(c1nc(COC(=O)c2cccc(O)c2)cs1)c1c(C)cc(C)cc1Cl 10529549 OHIYKSPXLDOWLQ-UHFFFAOYSA-N 430.913 5.161 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)ccc2Cl)cs1)c1ccc(N2C(=O)CCC2=O)cc1 11617429 LJGQONIAMBIKNR-UHFFFAOYSA-N 446.315 5.023 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4cc(OC)cc(OC)c4)ccc3oc2=O)cc1 11865117 GPOGCCDZQMJVNQ-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic Cc1ccc(NC(=O)c2nc(SCc3ccccc3)ncc2Br)c(C)c1 11916300 VQKQOLZKNPRCRO-UHFFFAOYSA-N 428.355 5.401 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN23)cc1OC 12194580 KVNZKNXBBWKINH-AMGIVPHBSA-N 446.547 6.408 0 40 IKAB CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 12195408 XLAVZOQIROYJGL-XRKRLSELSA-N 432.567 7.380 0 40 IKAB COc1ccc(CNc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 12419515 MWKURUSKXYSFMI-UHFFFAOYSA-N 444.896 5.042 0 40 IKAB Cc1cc(C)c(C(=O)COC(=O)c2cc(Br)c(Br)s2)cc1C 12540529 INEFJVNCFCONBN-UHFFFAOYSA-N 446.160 5.238 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)c1cc(F)ccc1Br 12919009 VLYVPZUGQSAMAV-UHFFFAOYSA-N 431.286 5.388 0 40 IKAB COC(=O)[C@@H](C)Sc1nnc(Cc2cccc3ccccc23)n1-c1ccc(C)cc1C 13115872 JOSHFAKVFNFIGX-GOSISDBHSA-N 431.561 5.282 0 40 IKAB Cc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccccc2Br)cc1 13763838 XJNTXKQWDVFJFZ-RCCKNPSSSA-N 435.321 5.167 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(NC(=O)c4cccs4)cc3)sc2C)cc1 14085343 KYWQJWPYIQMPDB-UHFFFAOYSA-N 449.557 5.693 0 40 IKAB Fc1ccc(CSc2nnc(COc3ccc(Cl)cc3)n2Cc2ccco2)cc1 14141943 ROPWWQGJGNOANF-UHFFFAOYSA-N 429.904 5.583 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 15947311 ZJOVISRHJIDLBY-LJQANCHMSA-N 448.375 6.122 0 40 IKAB CCc1nc2ccc(Cc3ccc4nc(CC)c(C)c(C(=O)O)c4c3)cc2c(C(=O)O)c1C 16161125 AQLSOVOTIYCNCJ-UHFFFAOYSA-N 442.515 5.512 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1 16323247 FQNGCPDGRIFACD-UHFFFAOYSA-N 433.986 5.139 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N(Cc4ccccc4)C(C)C)ncnc32)cc1 16768328 PKXDQBLXGNSBQW-UHFFFAOYSA-N 448.570 6.511 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c(C)c1 16844925 PZPYYAOCAKZOKG-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Cl)nccn3n2)cc1 17026186 ADJSQLDGYZEGPE-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1C 17098556 KKTVCIZJHRYZIE-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17099385 POUZMHYZUHGFAO-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cccc(Cl)c4)c3)nc2c1 17099833 OJTOWIGOUKYNAU-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 17101831 KNFBUASWKKJDHJ-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB Cn1ncc2c(Nc3cccc(Cl)c3)nc(N3CCC(Cc4ccccc4)CC3)nc21 17148898 WABBNKALGNPRNO-UHFFFAOYSA-N 432.959 5.219 0 40 IKAB C1=CC[C@@H](COc2cccc(C3N(Cc4ccccc4)CCN3Cc3ccccc3)c2)C=C1 19332121 IORPYSWXBWTLHJ-MHZLTWQESA-N 436.599 6.214 0 40 IKAB COc1ccc(CN(Cc2ccc(F)cc2)Cc2cccnc2)cc1Cn1nc(C)cc1C 19574382 TWOBBFQVFFQJCA-UHFFFAOYSA-N 444.554 5.293 0 40 IKAB CCn1c(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)nc2ccccc21 19689484 XUJFHMZQUAPBAW-HSZRJFAPSA-N 444.558 5.055 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl 20972360 PORULPOCIGFOAB-UHFFFAOYSA-N 439.795 7.104 0 40 IKAB CCCCOc1ccc(NC(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1 22503229 KOSZNPRRXYVVQZ-UHFFFAOYSA-N 443.547 6.103 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccccc3Cc3ccccc3)c(C)o2)cc1 24751122 WTUCKVQZJZTSRB-UHFFFAOYSA-N 427.500 6.019 0 40 IKAB O=C(Nc1c(-c2ccc(F)cc2)nc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1 26964283 PDVPTWVWZIYPJL-UHFFFAOYSA-N 433.792 6.065 0 40 IKAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(F)c(Cl)c2)c1 28534641 JAQHZIOKHGRPHG-UHFFFAOYSA-N 443.910 5.044 0 40 IKAB Fc1ccccc1-c1ccc(SCc2nc(-c3ccc(Br)cc3)no2)nn1 33262537 MKAKEWPZCURAAH-UHFFFAOYSA-N 443.301 5.388 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1cccc(C)c1 34896615 MMNWBGOMPYBFBU-CQSZACIVSA-N 449.407 5.697 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44838802 NKBZQXGUNNXWOK-SANMLTNESA-N 428.576 5.775 0 40 IKAB CCN(CC)CCCNc1ncnc2c1[C@@H](c1ccccc1Cl)c1ccc(O)cc1O2 44928717 XDFMMYHPRBJNHX-NRFANRHFSA-N 438.959 5.265 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc5ccccc5c4)C3=O)co2)c(C)c1 48362281 HSMYYMIKKQMHNZ-SANMLTNESA-N 425.488 5.079 0 40 IKAB O=C([C@@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 57987221 FOMCJCKBNXPKDM-QPPBQGQZSA-N 446.620 5.244 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccccc4C(C)C)nccn3n2)cc1C 67290024 BSMINZDKTDKAEW-UHFFFAOYSA-N 430.577 5.867 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 102767583 UNPWUJZCWFCHDA-RJGXRXQPSA-N 432.907 5.008 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1 108277349 FRXCBINURCPIFF-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)c(C)c1 222691112 GDGICNQXKQCFPJ-QFIPXVFZSA-N 449.422 5.790 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1cc(Cl)ccc1Oc1ccccc1 222759120 DIWJQBIRMZVYOE-UHFFFAOYSA-N 436.335 6.797 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222983837 YHCRAIZLGFWRHQ-NHCUHLMSSA-N 446.403 6.421 0 40 IKAB CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 223123406 XFEFREDSUKETQO-ILBGXUMGSA-N 425.016 5.698 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 223316608 LLOXZSYSTRCAAP-WNCULLNHSA-N 442.603 5.092 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2NC2CCCCCC2)cc1 223421668 PLUHZBYYIJEIRF-UHFFFAOYSA-N 444.597 5.496 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)cc1 224229174 JWIMVMLUFZAKQG-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224350508 ICSNNXVXUYSFEK-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC1CCCCC1 225150410 SUHHDOUHCZKSCI-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@@H](CC(=O)O)c1cccc(Cl)c1 225224096 GHFMHOOYAZMABQ-HNNXBMFYSA-N 441.778 5.222 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccc(Br)c(Cl)c1 225450284 UBZHMEPRNSMSBF-UHFFFAOYSA-N 435.778 5.083 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Br)c(C)c1)CC(C)(C)O2 225682253 PNYRNJSMMLIQRW-QGZVFWFLSA-N 435.387 5.355 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 225811082 OTJQMHIXVIBMBP-INIZCTEOSA-N 442.437 5.214 0 40 IKAB NNc1nc2c(Br)cc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2s1 226309587 JXJFAFQCZBCGRL-UHFFFAOYSA-N 439.338 5.264 0 40 IKAB O=C1OC2(CCN(C(=O)CCc3cccc(Oc4ccc(F)cc4)c3)CC2)c2ccccc21 245171813 XWJSJKYQDCDWFH-UHFFFAOYSA-N 445.490 5.239 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 245241681 MOXDDWKSQCILQK-KTUSPWNNSA-N 430.598 6.237 0 40 IKAB Cc1ccccc1Cc1ccc(C2CCN(C(=O)c3ccc4c(c3)C[C@@H](C)O4)CC2)nc1 257252647 JVONXKUXSOVBHJ-HXUWFJFHSA-N 426.560 5.324 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408554388 DOZAHRPIPAVTLF-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2N2C(=O)c3ccc(Br)cc3C2=O)c1 408673377 RVDIOGKXSAIDHG-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@H](C)CCc2ccccc2)cc1 408675631 JXKVSVPUGUCWAL-HXUWFJFHSA-N 440.543 5.325 0 40 IKAB Cc1ccc(C)c(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1 409115814 KUTGEYOEQREMSA-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(Cc3ccccc3Cl)c3c(CC)cccc23)C1=O 409143638 DCWGXWWIJGMEEJ-BKUYFWCQSA-N 438.980 6.352 0 40 IKAB Cc1cc(I)ccc1NC(=O)CSc1ccc2ccccc2c1 409180439 SSLKEOUPVDJEBY-UHFFFAOYSA-N 433.314 5.484 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Cl)cc1 409201083 NMQNPPQLMPQJIO-RWEWTDSWSA-N 439.367 6.469 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)cc1C 409378057 MWVWDQBBONVEOQ-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1ccc(N=c2scc(-c3ccc(Cl)cc3Cl)n2-c2ccc(C)cc2)cc1 584905931 QICGLPLJJTUFJY-UHFFFAOYSA-N 425.384 7.362 0 40 IKAB C[C@@H](NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N)c1ccccc1 658702 MLZYQNHMGBVJDM-LLVKDONJSA-N 447.507 6.117 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 800214 XCMCWOHXWMTMON-INIZCTEOSA-N 430.879 5.097 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2S(=O)(=O)c2ccc(C)cc2)cc1 869011 CCVBJEGEIUJLEJ-QHCPKHFHSA-N 440.952 5.197 0 40 IKAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n21 882947 KEDRLMOYWJGXKD-UHFFFAOYSA-N 447.589 5.091 0 40 IKAB Cc1ccccc1OCc1nnc(S[C@H](C)C(=O)Nc2ccccc2)n1-c1ccccc1 898749 HSWGBCVTJXWHFO-LJQANCHMSA-N 444.560 5.274 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccccc3OC)cc2c1 916774 VGJNUXTURWPQFE-UHFFFAOYSA-N 447.560 5.091 0 40 IKAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 1320594 UHESYKXBFWZOIH-VWLOTQADSA-N 437.898 5.049 0 40 IKAB O=C(NCCc1ccccc1)c1[nH]c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 1718744 CTVPVHHFTLBSPJ-UHFFFAOYSA-N 442.562 6.988 0 40 IKAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C 2138541 XQHGIEPSARXFNV-UIOOFZCWSA-N 433.523 6.510 0 40 IKAB Cc1ccc(C)c(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2232694 BWCKFUGSKSNYNP-UHFFFAOYSA-N 448.950 5.429 0 40 IKAB CCn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1cccs1 2619845 IFCULBDDJWPLOI-UHFFFAOYSA-N 434.590 5.024 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 2623861 WHEOTOODGYZIGW-NRFANRHFSA-N 432.372 6.864 0 40 IKAB CCCNC(=S)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccccc4)nn13)CCCC2 3227214 OUBVTLJWSNGPDE-UHFFFAOYSA-N 428.605 5.790 0 40 IKAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 3230069 FDDVIOVLMRTJLH-UHFFFAOYSA-N 446.261 5.159 0 40 IKAB CCOc1ccccc1NC(=O)c1ccccc1Sc1ncnc2sc(C)c(C)c12 3431940 BHWVFLJJSPOZRY-UHFFFAOYSA-N 435.574 6.110 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCC2 3671528 FVTMMWOVHWBXOU-UHFFFAOYSA-N 441.471 5.228 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(F)c(Oc3ccccc3)c2)N1c1ccc(F)cc1 3671868 AUXFUDUBMSYLMF-VWLOTQADSA-N 428.438 6.528 0 40 IKAB O=S1(=O)Cc2c(nc3ccc(Cl)cc3c2-c2ccccc2Cl)-c2cc(F)ccc21 5988977 VAJMAQVSAICCTJ-UHFFFAOYSA-N 444.314 6.302 0 40 IKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1ccc(CN2CCCC2=O)cc1 8855564 GDYCLXWQLZNOBP-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB Cc1csc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)n1 8894967 PDISZDMWAJNWDT-SUMWQHHRSA-N 431.970 5.556 0 40 IKAB COc1cc2c(cc1C(c1ccccc1)(c1ccccc1)c1ccccc1)NC(C)(C)C=C2C 8986363 XDEYVWUHPONOQO-UHFFFAOYSA-N 445.606 7.685 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5ccccn5)ncnc4c23)CO1 9111086 BTIFYEGKKMJXNE-UHFFFAOYSA-N 443.532 5.358 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Nc1ccccc1Cc1ccccc1 9128703 CHSKRZFNEISJGK-UHFFFAOYSA-N 448.588 5.013 0 40 IKAB CSc1nc(NC[C@@H]2CCCO2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 9192502 MMXLDPNMTLFSSE-HNNXBMFYSA-N 448.617 5.708 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 9378150 SKPITHKLYPFVJW-QFIPXVFZSA-N 439.631 5.197 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9478580 YMHJAGKPYKSYQY-CQSZACIVSA-N 449.605 5.012 0 40 IKAB O=C(NCCc1csc2nc(-c3ccc(F)cc3)nn12)c1ccc(-c2ccccc2)cc1 9568962 WKGSNJYIMANLRJ-UHFFFAOYSA-N 442.519 5.236 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(C(F)(F)F)cc4)cc3)c2O1 9659760 PINZUABXTNXRAZ-UHFFFAOYSA-N 441.449 6.250 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F)Nc1cccc(F)c1 9666035 PUNRTMVXDBOAQB-UHFFFAOYSA-N 440.450 5.082 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@H]2c2ccc(Cl)cc2)cc1 9679516 ZTLNSYKCXVKNTN-JOCHJYFZSA-N 447.878 5.250 0 40 IKAB O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904446 NMMFTEUTDIFSJC-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 9913014 LGQJPABFEUANNN-UHFFFAOYSA-N 443.377 5.104 0 40 IKAB CC(C)(C)c1ccc(C(=O)CSc2nnc(-c3ccccc3Br)o2)cc1 9971526 STZWNGZSELBJIV-UHFFFAOYSA-N 431.355 5.772 0 40 IKAB COc1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 10041669 BLVOKSYYSRUUMY-QFIPXVFZSA-N 440.879 5.147 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccccc4F)cc3)nc2c1 10119707 BIBITUJUBATTNE-UHFFFAOYSA-N 439.284 6.211 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3c(C)cccc3C)C2)nc2ccccc21 11692470 INDLABONRCQYKS-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CC(=O)Nc1ccc(CN2CCCCC[C@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 12185748 RGGKQYBOIJADEI-QFIPXVFZSA-N 433.508 5.146 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OCc1ccccc1 12578587 UUJMCAXBVHAQBA-HHHXNRCGSA-N 433.511 6.263 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2c(Cl)cccc2Cl)NC(=O)N1 12622187 UCBUOHULJPFDJW-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB C[C@@H](SCCOc1ccccc1F)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 12689335 WMSAJAKSXCFCQW-GFCCVEGCSA-N 432.567 5.725 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C 13512035 CPIKIGIRRFSVNK-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Cc1cccc(-c2cc3nc4c(c(N5CCC(Cc6ccccc6)CC5)n3n2)CCCC4)c1 13562800 YIGGYXXOIDQQKF-UHFFFAOYSA-N 436.603 6.043 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3ccccc3Br)c(=O)oc2cc1O 13633625 XYHZJEBGJDMILP-UHFFFAOYSA-N 444.325 5.636 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 14155660 IPWFQQHJKKEXAL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nc2c(-c3ccccc3)csc2c1=O 16845107 VUZCFBVMEKDYFY-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2ccc(Cl)c(Cl)c2)cc1 17096316 STKLWEFKVOCPAS-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCc1ccccc1-n1nc(-c2ccc(OC)c(OC)c2)cc1-c1ccc(OC)c(OC)c1 19641104 CLXDZADPZOXERP-UHFFFAOYSA-N 444.531 5.803 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 21124112 DCPNJTOHISVXHQ-FMIVXFBMSA-N 444.314 6.471 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1cccc(F)c1 21305631 NMKXEBCLIDEYMM-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc1 21357780 IZRNAMNEKUJLSZ-UHFFFAOYSA-N 447.457 5.136 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)cc1 26893459 DYJCSFFJMHHPGV-UHFFFAOYSA-N 428.713 5.894 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2[C@H](C)c2ccccc2)CC1=O 27789105 WEHRHWUYQFFKLH-IEBWSBKVSA-N 445.950 5.828 0 40 IKAB CC1=C[C@@H](CNCc2ccncc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883151 SIUJIKKJQGEVLX-SDHOMARFSA-N 430.596 5.627 0 40 IKAB biogenic,in-vitro Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4cccc(C)c4)sc3c2)cc1 33000448 CVDRSNIFNXNCNT-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB COCOc1c(C=O)cc2ccccc2c1-c1c(OCOC)c(C=O)cc2ccccc12 34513057 SAZKSNRLBUJKJM-UHFFFAOYSA-N 430.456 5.250 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1Cl 35290234 JXLPTQSVHGGHTG-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)cc1 40485424 JQDWZQWBPWUAMU-SANMLTNESA-N 427.544 6.180 0 40 IKAB CC(C)(C)c1ccc2c(c1)OCC(=O)N2CC(=O)Nc1ccc(Oc2ccccc2)cc1 44841635 NTITZZMHJJMAGZ-UHFFFAOYSA-N 430.504 5.141 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2OC)o1 57353789 JBMHROIMAHWCCN-FNORWQNLSA-N 430.092 5.057 0 40 IKAB COc1ccccc1NC(=O)CSc1nccn2nc(-c3cccc4ccccc34)cc12 57511047 ZCGTWDGWTPKCHJ-UHFFFAOYSA-N 440.528 5.289 0 40 IKAB CC(C)(C)[C@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 57774925 MTUMBPKXHWPLCV-INIZCTEOSA-N 426.486 6.452 0 40 IKAB Cc1sc2nc(SCc3nccn3CC(F)(F)F)n(C3CCCC3)c(=O)c2c1C 58297758 GZIBUDFQPPRRTO-UHFFFAOYSA-N 442.532 5.241 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(F)(F)F)c1 59268002 OAUPMIYEWGVVIZ-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294463 MUMWIBBPGMEBMV-PNHLSOANSA-N 434.879 5.588 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215166 OEQHMZAPEUFVEV-HKUYNNGSSA-N 433.593 6.084 0 40 IKAB CCOC1CCN([C@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1 72309118 OOZPLCYGLOUGHZ-QFIPXVFZSA-N 439.556 5.130 0 40 IKAB CCc1nnc(Nc2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 72375638 ZFFVSDNUTRVJHQ-GOSISDBHSA-N 441.988 5.189 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3cccc4ccccc34)oc12 73642694 YWZMUZVKOVSFEF-UHFFFAOYSA-N 446.142 6.318 0 40 IKAB O=C(/C=C/c1ccccc1Cl)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77197898 DWAKNGIVMOAJDH-LPQFERQCSA-N 427.932 5.417 0 40 IKAB CN(C)c1cc(C(F)(F)F)cc(-c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)n1 91695545 FWCPQOXVAVENMG-UHFFFAOYSA-N 434.849 6.131 0 40 IKAB COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 100082346 MXIRVGLZZCTMMC-VCKVZLKQSA-N 433.507 5.119 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3cc(C)ccc3n2)cc1 102640739 SQINHRUMHNTJQA-WKHFQEMYSA-N 428.576 6.163 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc(Cl)c1 107033320 GRQAWWXECBEMAX-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cc(Br)ccc1Cl 107711375 JIBDKARLEXXRMO-UHFFFAOYSA-N 428.157 5.999 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@@]2(C)C1 118914983 WPHICUIXBCASRI-MXBRPYGPSA-N 434.617 5.034 0 40 IKAB CCSC1(SCC)CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118929215 ZXXFJBWMFVMIFM-ZYODCECPSA-N 436.727 7.083 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC([N+](=O)[O-])=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118930067 PGRKJDDEUNIWAZ-ACVICXQNSA-N 431.661 6.993 0 40 IKAB CCC(=O)O[C@H]1CC[C@H]2[C@@H]3C[C@H]4C(Cl)(Cl)[C@@]45CC(=O)CC[C@]5(C)[C@H]3CC[C@]12C 118936493 UFSQBZDHAWVKPF-SAOIEBRISA-N 427.412 5.704 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222714220 AKAXYVTTXYMEQE-OAQYLSRUSA-N 440.653 5.177 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 223271329 BROVKJSRGXGODX-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 223429275 KMFZVCMTABYWIA-WNCULLNHSA-N 442.603 5.092 0 40 IKAB Cc1cccc(CN(C(=O)COc2cccc3ccccc23)[C@@H](C)C(=O)NC2CCCC2)c1 223805603 OQMMRHOUUQJJRF-NRFANRHFSA-N 444.575 5.003 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224054033 LXSAJGMVQRCIOQ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 224501771 CRAZUUNNCMEFCM-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224503456 ROZMRAFRQUTLBF-PMACEKPBSA-N 441.398 5.404 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccs2)N1c1ccc(Oc2ccccc2)cc1 224625214 WAUUVZLCOVLQBN-GOTSBHOMSA-N 429.570 6.113 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)[nH]1 224688936 BZUBPUASDUAURV-RPBOFIJWSA-N 440.572 5.996 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(=O)OC)cc3)o2)cc1 224920349 UOIVRMLRGDAGMI-UHFFFAOYSA-N 442.471 5.446 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 225211237 UKIPRWVOIRVOTQ-PMACEKPBSA-N 444.616 5.008 0 40 IKAB Cc1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1N1CCCC1=O 225870009 WIJLNDWKRIBKHF-UHFFFAOYSA-N 428.001 5.531 0 40 IKAB Cc1ccc(Oc2c(F)cccc2O[C@@H]2CCC[C@@H](N(C)Cc3ccccc3)[C@H]2O)cc1 257294337 QTQYQSZTMLUDEC-DGWZTRNLSA-N 435.539 5.719 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)O2 257320365 VWMBFTVCFXLZLW-NDEPHWFRSA-N 440.543 5.227 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257344542 ZXSOYQJKBVJANC-OAQYLSRUSA-N 431.530 6.120 0 40 IKAB Cc1ccccc1CNC(=S)c1ccc(OCc2ccc(Br)cc2)cc1 408578214 WWBMDVMDEHXJGX-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408621380 NWVSSSQJYVULCM-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB Cc1cccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c1C 409110755 GMMPWAVZOHNPRV-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCOc1ccc(NCc2cc(I)c(OCC)c(OCC)c2)cc1 409116880 NJYZWQWVEGLAFJ-UHFFFAOYSA-N 441.309 5.099 0 40 IKAB CCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409118212 ZGVJVLPVCLMYBL-UHFFFAOYSA-N 428.326 6.261 0 40 IKAB Cc1c(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)c2ccccc2n1Cc1ccccc1 409144251 OIRIMKDCDDNRSN-PCLIKHOPSA-N 444.600 6.615 0 40 IKAB Clc1ccccc1COc1ccc(-c2nc3ccccc3s2)cc1Br 409193698 LJRMZNJGLZKKSX-UHFFFAOYSA-N 430.754 6.958 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2-c2nc3ccccc3s2)cc1 409256231 KTWMLSXAQZCUCD-UHFFFAOYSA-N 430.754 6.958 0 40 IKAB COc1cccc([C@H]2Oc3cccc(-c4c(OC)cccc4OC)c3P2C(C)(C)C)n1 1772768973 OMRMWFIEDFJLAJ-ACXKHFGCSA-N 437.476 5.771 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1ccc(F)cc1F 812654 HCXQCEZBDJOYSG-UHFFFAOYSA-N 434.471 5.215 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 900709 SOWCIERNXNWCKA-MOPGFXCFSA-N 430.886 5.769 0 40 IKAB CC1CCN(CC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 1823452 QJCBKKSUBKMWOV-SANMLTNESA-N 425.016 5.893 0 40 IKAB COc1ccc2[nH]c(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2c1 2272721 VCHPSCJKVVNDNZ-UHFFFAOYSA-N 426.582 5.847 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 2354476 DNOCEGSLBAMVAA-MLGOLLRUSA-N 430.397 5.722 0 40 IKAB Cc1ccc(-c2nnc(N3CCN(C(=O)c4ccccc4Cl)CC3)c3ccccc23)cc1 2387569 HENCFGDEXFJZMW-UHFFFAOYSA-N 442.950 5.221 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1C 2431197 JLTVFZLXGNFKOS-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccccc2Cl)cc1 2448275 AAFZRYDYXKAHOU-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccccc2Cl)cc1 2454185 IVYZMACIEBUQPQ-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CC(C)CNC(=O)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccc(Cl)cc1 2678637 BWNSSQOIWPOODI-JLPGSUDCSA-N 448.950 5.675 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Cl)c(C(F)(F)F)c1 2679341 UNIOIJRUKSHWRC-UHFFFAOYSA-N 438.176 5.832 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1SCc1ccc(F)cc1 2721857 HMQKHGHCACYDGB-UHFFFAOYSA-N 449.912 5.852 0 40 IKAB aggregator CCCCSc1nnc2c(n1)O[C@H](c1ccc(OCC)c(OC)c1)Nc1ccccc1-2 2741984 DZVAPFFZCXPVBF-OAQYLSRUSA-N 438.553 5.341 0 40 IKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(I)cc1 2790535 HURRMQPNHOLYFN-UHFFFAOYSA-N 429.685 5.051 0 40 IKAB O=C(CSc1nc2ccccc2c2nc(-c3ccccc3)nn12)c1ccc(Cl)cc1 2968993 VYVSOIYPUCZHCS-UHFFFAOYSA-N 430.920 5.573 0 40 IKAB O=C(Nc1ccccc1)Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3 3192712 VXCJFZJOHPQUTP-UHFFFAOYSA-N 432.574 6.365 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ncc(Cl)cc1Cl 3261233 KFXGWHMSONNTAA-UHFFFAOYSA-N 433.675 5.191 0 40 IKAB aggregator Cc1occc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 3407473 RFGQLGJDIDBCNE-JTQLQIEISA-N 444.866 5.175 0 40 IKAB CCCc1nc(N2CC[C@@H](c3ccccc3)C2)c2sc(=S)n(-c3ccccc3)c2n1 3629036 HWEHIMRBRBOCTP-GOSISDBHSA-N 432.618 6.158 0 40 IKAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)s1 3643764 QIYBOQUUBVZITG-KRWDZBQOSA-N 437.908 5.171 0 40 IKAB CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1 3643854 NDQBIILXSGCLGB-KRWDZBQOSA-N 437.908 5.171 0 40 IKAB COc1ccc(-n2c(SCc3nnc(-c4ccccc4)o3)nnc2-c2ccccc2)cc1 4058126 YEKVYXVPJFEXRZ-UHFFFAOYSA-N 441.516 5.285 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(CCC3=CCCCC3)c2C)o1 8312631 GOEGQZNXEBVERZ-UHFFFAOYSA-N 425.554 5.922 0 40 IKAB COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)c1 8445483 AIFCCQPRNZOKFD-QFIPXVFZSA-N 447.383 7.117 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 8722476 FTFLVPUCMORWNX-ZZXKWVIFSA-N 435.203 6.363 0 40 IKAB O=[S@@](CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl 8733522 QEDQOIMWAJZJCA-AREMUKBSSA-N 425.764 5.691 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c(C)c1 8752711 OSBLPYUGJFNKEN-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC(C)CCn1c([C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 8828281 OXDSZFHRLCIKSM-MRXNPFEDSA-N 426.358 5.365 0 40 IKAB CCCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3cccc(C)c3)c2)cc1 8837197 DEPHFMCVXJCLSN-URGPHPNLSA-N 441.571 7.445 0 40 IKAB biogenic Cn1c(-c2c(N)n(Cc3ccc(Cl)cc3)c3nc4ccccc4nc23)nc2ccccc21 9002135 TWUYOJHYDXBZRT-UHFFFAOYSA-N 438.922 5.422 0 40 IKAB CCC(C)(C)c1ccc(OCCCCSc2nc3ccccc3[nH]2)c(C(C)(C)CC)c1 9369233 HEEQZWLWNASEHO-UHFFFAOYSA-N 438.681 7.889 0 40 IKAB CCCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1 9403833 ZDPJESOWMTZHEW-HSZRJFAPSA-N 440.547 5.336 0 40 IKAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 9639430 LBACOJHLPVQPLM-VIFPVBQESA-N 449.533 5.054 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn(Cc2ccccc2)nc1-c1cccs1 9766967 IONBAKZGGWHGFL-UHFFFAOYSA-N 442.544 5.039 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nc(-c3ccsc3)no2)n1C1CCCC1 9783341 HYWLYXKXOGOPOJ-UHFFFAOYSA-N 443.985 6.117 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 10449840 DMQQUKWGUSCKMO-XHCCPWGMSA-N 442.584 5.095 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2nc(-c3ccc(C)cc3C)cs2)c1 11358297 KEUYVSNQVINUIA-UHFFFAOYSA-N 435.578 5.295 0 40 IKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccc(Cl)cc1 11667365 PTOJDEXXHJQTNZ-QGZVFWFLSA-N 437.927 5.633 0 40 IKAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCc1ccccc1)[C@H]3c1cccc(Cl)c1 12062502 VBIYLBFRYGYRIA-QHCPKHFHSA-N 429.903 5.543 0 40 IKAB COc1ccc(CN(C)c2ncnc3cc(-c4ccc(F)cc4)sc23)c(OC)c1OC 13117170 PTSGBFYHABVEFM-UHFFFAOYSA-N 439.512 5.160 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccccc3Cl)c2)cc1 13628058 JYTDLNGHAOGEPY-DTQAZKPQSA-N 432.951 6.542 0 40 IKAB CCCCc1ccc(NC2=C[C@](C)(C(=O)OCC)N(c3ccc(CCCC)cc3)C2=O)cc1 15304717 MRCXKNINQHBTHB-MUUNZHRXSA-N 448.607 6.036 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413392 OICXRHKDKKTXMY-MHZLTWQESA-N 426.560 5.856 0 40 IKAB CCOc1ccc(Oc2ccc(NC(=O)C[C@H]3c4ccccc4C=CN3C(C)=O)cc2)cc1 15607011 QZKYKOQKQWUCLG-SANMLTNESA-N 442.515 5.780 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc(OC)cc3)=NN21 16739438 NLHHBFZBCHICLP-DHLKQENFSA-N 434.923 5.990 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 19081923 AENVMVXRNXSSGZ-UWJYYQICSA-N 434.411 5.504 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c(C)c1 19646494 BVZNLIAKWXBNBM-UHFFFAOYSA-N 447.604 5.547 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1 19690319 YNVKIOLUCYRAKY-IBGZPJMESA-N 443.469 5.316 0 40 IKAB CCOc1ccc(CN2CCCC[C@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1 19765051 JAFKUPOPCQLJBO-DEOSSOPVSA-N 448.542 5.302 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3ccc(C)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140353 ZPYFBDBDCSXPSE-UHFFFAOYSA-N 437.879 5.922 0 40 IKAB COc1ccc(-c2cc3nc(CN4CCC[C@@H]4c4ccc(OC)cc4)[nH]c(=O)c3s2)cc1 22011216 FOPPELZWXVOIHP-OAQYLSRUSA-N 447.560 5.006 0 40 IKAB COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1OCc1ccccc1F 22110060 YBORBFHZKOIALT-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB O=C(c1cc(=O)c2cc(F)ccc2o1)N(Cc1ccco1)Cc1ccc(Cl)cc1Cl 27989374 TXHBVGDLPAZLRA-UHFFFAOYSA-N 446.261 5.675 0 40 IKAB C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Cl)cc1Cl 28422529 KFPAMNVDHNXTCL-ZDUSSCGKSA-N 433.360 5.823 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 32904465 QGJWIKHLXLGEQN-UHFFFAOYSA-N 427.504 5.281 0 40 IKAB Cc1ccc2c(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cc(=O)oc2c1C 33632002 XBSCTNDXJXJJTO-UHFFFAOYSA-N 439.846 5.417 0 40 IKAB COC(=O)c1cccc(Cn2nc(-c3ccc(OC)cc3)cc2-c2ccc(OC)cc2)c1 36611248 MDPCEKLPSHTJEG-UHFFFAOYSA-N 428.488 5.069 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl)c1ccccc1 38756722 LCZOCMVTIRKWTK-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40112756 XMARVXHLDCSVNM-HNNXBMFYSA-N 425.554 5.257 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395910 JEKXOKWIBQTQDH-VCBZYWHSSA-N 435.959 5.319 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]3CCC[C@@H](C)[C@@H]32)ccc1OCc1c(C)noc1C 57991505 SWKLBDWPNPBGNR-ZHEJOGCNSA-N 438.568 5.319 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)c1ccc(F)cc1 59489720 WNYXDZCFUAGVEJ-UHFFFAOYSA-N 440.496 5.802 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(C(F)(F)F)cc2)cc1 67297690 WQPNKJVNEVMLOF-FAJYDZGRSA-N 438.405 5.945 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)n[nH]4)C3)c(-c3ccncc3)c2c1 72396789 GJPWOZAFRLYFHZ-IBGZPJMESA-N 441.579 5.579 0 40 IKAB O=C(CCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 89830394 XKUHECQSSFVMEQ-OAQYLSRUSA-N 429.545 5.099 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1 95471991 RWDMSBGYWYDIMW-UHFFFAOYSA-N 433.455 5.292 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccccc3F)C2)c(OC)c1 95945222 VDOSDLIGYIAFKI-QFIPXVFZSA-N 438.886 5.488 0 40 IKAB CC(C)CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1c[nH]c2ccccc12 102003810 WKUMSRDHBIETNG-MHZLTWQESA-N 441.575 7.007 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(CCCc4ccccc4)C3=N)n2)cc1OC 102724625 XHIROZDYIXYJDG-UHFFFAOYSA-N 435.549 5.022 0 40 IKAB CCn1c(-c2ccc(Cl)cc2Cl)cs/c1=N/c1ccc(S(=O)(=O)O)cc1 102920997 DKINSCKCIBUEJU-LVZFUZTISA-N 429.350 5.022 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118935141 KDJPNDQOTCHXMI-XYMBBBGQSA-N 446.716 7.010 0 40 IKAB O=C1S/C(=C/c2ccc(F)c(Br)c2)C(=O)N1Cc1ccc(Cl)cc1 214149056 HEDFBQQDBZVTEL-OVCLIPMQSA-N 426.694 5.478 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219343961 JYLKZXFSKKYQEA-HXUWFJFHSA-N 435.911 5.359 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222911489 QLEPOUJFUVZXFC-RTWAWAEBSA-N 445.419 5.808 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 223225135 JORRBLAQEPGFIM-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccccc2I)cc1C(C)C 223274327 DXEGPRIVQHHHMU-CQSZACIVSA-N 437.321 5.223 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](CC)C(=O)NC)cc1 223320599 CYLRFSOORQCOGA-OAQYLSRUSA-N 435.395 5.042 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 223809477 FFGWIHJUEGKYHV-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 224114714 GUVKKIXPBYLJFL-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 224590428 HGAPOPJSIOFZCU-XMMPIXPASA-N 440.653 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224621560 ATSHCWBYVILGRV-UHFFFAOYSA-N 427.903 6.326 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 225030837 XELIOBHYYOAEDS-XMMPIXPASA-N 441.015 5.529 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225096913 WKILLZBSVMRZTM-SFTDATJTSA-N 426.626 5.118 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)cc1C 225142465 XVUJHIISQILLNX-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225358034 VOIUBUUSNSUHSU-UHFFFAOYSA-N 431.285 5.294 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225459949 GPOUUXWNQYPBQR-GCJKJVERSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225547563 WRBRXXDXYPCDGD-QPPBQGQZSA-N 438.612 5.021 0 40 IKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OCC 225751857 UWZJLXZHJMXSGX-KRWDZBQOSA-N 428.598 5.853 0 40 IKAB COc1ccc(SCCCNC(=S)Nc2ccc(Br)c(C)c2)cc1 225802941 GNZYCTQNRRJHPO-UHFFFAOYSA-N 425.417 5.235 0 40 IKAB O=C(NC1CCCCC1)c1cc([C@H]2CCCN(Cc3ccc(-c4ccccc4)cc3)C2)no1 257286182 PKQFCRNCZRHSLT-DEOSSOPVSA-N 443.591 5.784 0 40 IKAB C[C@@H]1C(=O)CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC=C2[C@@H]3CC(C)(C)CC[C@]3(C(=O)O)CC[C@]21C 261492335 USBFNWRNJYBPQP-QUHUENHGSA-N 440.668 7.052 0 40 IKAB Cc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408577414 SLQLCVOBKINFSB-UHFFFAOYSA-N 434.363 6.485 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408578136 VXXVWAHWXYMGGD-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 408622977 QHWDCROUYVTBJH-YCIYHOANSA-N 434.322 5.564 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 408673005 WBWAFATWXIGSDW-FQEVSTJZSA-N 443.543 5.370 0 40 IKAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408678994 HIMFXGAVSZYWPE-QGZVFWFLSA-N 428.381 5.209 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccc(F)cc2)cc1 408696263 YWJPDYQBYOAQNO-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 408848420 WEABBUFVBXNFHG-PXLXIMEGSA-N 441.483 5.266 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 409150161 APFQQFZPNJKNAS-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3)o2)C1=O 409200701 IPUYHAIJAKJQCS-UYRXBGFRSA-N 446.956 5.285 0 40 IKAB COc1ccc2[nH]cc(C3CCN(C(=O)Nc4ccc(NC(C)=O)cc4Cl)CC3)c2c1 518813217 FWMLTTHUGCSBST-UHFFFAOYSA-N 440.931 5.200 0 40 IKAB Cn1c(NC(=O)c2cccc(COc3ccc(Br)cc3)c2)nc2ccccc21 656852 XSNYYHXRHUIVOG-UHFFFAOYSA-N 436.309 5.167 0 40 IKAB CC[C@@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 823211 VOOLDIGNBZELOQ-HNAYVOBHSA-N 439.364 5.595 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccccc2F)c1C 871287 IGFYPPSIDHLMRE-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Cc1nc(NC(=O)c2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc2c(c1)CCC2 1379085 SVBKEHJREWUSEM-UHFFFAOYSA-N 433.577 5.742 0 40 IKAB CN(c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 1774998 HWJCIWCLDIZRDL-LOSJGSFVSA-N 448.975 5.704 0 40 IKAB CCOc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)O)s2)cc1 2078454 BEXJHTNYAJYNSJ-UHFFFAOYSA-N 446.528 6.372 0 40 IKAB CCc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1 2188731 VFHMVEMCNRRLPH-NDEPHWFRSA-N 434.539 6.599 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C)C3 2292059 KKBILTCNWDQHBG-HNNXBMFYSA-N 428.623 5.863 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5ccccc5)ncnc4c23)CO1 2296052 RRNYCFRGPRCCIF-UHFFFAOYSA-N 442.544 5.963 0 40 IKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C(C)C)cc1 2382239 NPUUTMCKYKDDCB-NEEKEDPPSA-N 436.536 6.627 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1 2447033 FVNNBHWJGQTVAQ-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4)c3)nc2c1 2595167 NOIFXJKBBRXMRR-INIZCTEOSA-N 434.923 6.679 0 40 IKAB Cc1ccc(NC(=S)N[C@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 3168243 NJBQTUMDIQRCEJ-HNNXBMFYSA-N 445.803 5.108 0 40 IKAB CCN(Cc1ccncc1)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2F)c1=S 3221583 WCGLNBYEWCJJGM-UHFFFAOYSA-N 437.519 5.223 0 40 IKAB Cc1ccccc1-n1c(SC(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 3285396 GEAPHOYSVWNBLT-UHFFFAOYSA-N 434.568 6.519 0 40 IKAB Fc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2ccccc2)c(F)c1 3288354 IMPFWUDJFPVDTM-UHFFFAOYSA-N 436.512 6.115 0 40 IKAB Fc1ccccc1-n1c(SC(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 3419799 HJCRYUQFGDKFTK-UHFFFAOYSA-N 438.531 6.350 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Cc3ccccc3)cc(-c3ccccc3)nc21 3423554 DFKIVZAEEJKHRK-UHFFFAOYSA-N 446.554 6.522 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@H](C(C)(C)C)C4)cc1 4735791 FEYIPQTWVVBIQP-INIZCTEOSA-N 427.566 5.702 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCCNCCO)[C@@H]3CC[C@]12C 4743447 GKXLUGLOAOBFQD-DTMVSHBFSA-N 433.721 6.239 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Cl)cc2Cl)cc1 6089566 VRGOSFOPRVVGTE-NRFANRHFSA-N 441.314 5.941 0 40 IKAB Cc1ccc2cc3c(N)c(C(=O)Nc4cc(C(F)(F)F)ccc4Cl)sc3nc2c1 6442072 TXMNRRQQYLHQKE-UHFFFAOYSA-N 435.858 6.265 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)c(=O)[nH]c12 6443480 CNYMXQNWXYWHAK-UHFFFAOYSA-N 431.536 5.375 0 40 IKAB CC(=O)O[C@@H]1C[C@@H]2C[C@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCC(=O)O)[C@@H]21 8382427 HZYCQOFWTRIOEA-YITAYXLBSA-N 434.617 5.049 0 40 IKAB biogenic,in-vitro Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3cc2C)CC[C@H](C(C)(C)C)C4)c(C)c1 8870323 LFGKVXVKVAWOBL-IBGZPJMESA-N 439.621 6.618 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CCc2ccccc2)c2nc3ccccc3nc12 8871072 XSAFZFDQIFMMGQ-LJQANCHMSA-N 443.595 5.354 0 40 IKAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1-c1ccc(Cl)cc1 9139504 PKOZLOCFNPQITN-UHFFFAOYSA-N 435.380 5.701 0 40 IKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 9243139 YHTKLMXDKSCDNA-QFIPXVFZSA-N 438.289 6.272 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1sc2ccccc2c1Cl 9275147 IYLFOMDKRXLMBQ-UHFFFAOYSA-N 434.702 5.620 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C(=O)c3ccc4c(c3)OCO4)oc3ccccc23)cc1 9328388 QYDKNZZNYYIBJX-UHFFFAOYSA-N 429.428 5.044 0 40 IKAB O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cccc2ccccc12 9354541 INRDYEXVPXFFNF-UHFFFAOYSA-N 430.301 6.086 0 40 IKAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1c(F)cccc1Cl 9368358 YUOGEMMXFRYNCN-UHFFFAOYSA-N 447.866 5.894 0 40 IKAB Clc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 9434757 HJJDNSLBXDINLG-NDEPHWFRSA-N 437.974 7.308 0 40 IKAB Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C[C@H]2CCCO2)cc1 9535600 NGRCSTAPSMPTQR-MRXNPFEDSA-N 438.355 5.862 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccc(Cl)cc2)cc1 9599138 XCHAEKTZHKZYCY-UHFFFAOYSA-N 441.984 5.582 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)NCCSCc1ccc(Br)s1 9669656 PKDNGSDVDYAYCM-UHFFFAOYSA-N 437.384 5.137 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 9713567 MDCZBFKQJJLFRA-QGZVFWFLSA-N 441.000 5.140 0 40 IKAB O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 9780496 DWWVXYCAPGPLNG-UYAOXDASSA-N 444.432 5.276 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9805613 IHYHASZHSBSUCG-WRONEBCDSA-N 432.567 7.350 0 40 IKAB CC(=O)c1sc(-c2ccc(OCC(=O)N3CCC(Cc4ccccc4)CC3)cc2)nc1C 10213248 GDTIQAIIBHRRFI-UHFFFAOYSA-N 448.588 5.181 0 40 IKAB Cc1ccc2nc(-c3ccccc3)c(CSc3nnc(-c4c[nH]c5ccccc45)o3)n2c1 10503730 RBVUTRIAVPTBBU-UHFFFAOYSA-N 437.528 6.133 0 40 IKAB c1ccc(C2(c3ccccc3)O[C@@H](c3c[nH]nc3-c3cccs3)Nc3ccccc32)cc1 12376050 HUSBDYKTTRVDES-SANMLTNESA-N 435.552 6.571 0 40 IKAB COc1ccc2c(C)cc(S[C@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2c1 12541279 OOYQLYGZIMONNL-NRFANRHFSA-N 438.524 5.005 0 40 IKAB COc1ccccc1C(=O)c1c(NC(=O)CN(C)C2CCCCC2)sc2c1CCCC2 12636058 XLKKHFIDTJMPNG-UHFFFAOYSA-N 440.609 5.070 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2C(=O)Nc2cccc(F)c2)ccc1OC(F)F 12739077 XOTNLGFYJWEGOU-UHFFFAOYSA-N 444.409 5.330 0 40 IKAB FC(F)Oc1ccc(-c2nnc(SCCSc3cc(Cl)ccc3Cl)o2)cc1 13074698 ABTPWHFGQOOQKC-UHFFFAOYSA-N 449.331 6.529 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1-n1cncn1 13098388 YEOZCLKBPCHPIX-QHHAFSJGSA-N 427.213 5.245 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)c1ccc2c(c1)CCC2 13113182 QNIZSLJTQKKAMO-OAHLLOKOSA-N 428.561 5.614 0 40 IKAB CCCCOc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)cc1OC 13138077 HJCXJIHMUHMKFT-QHCPKHFHSA-N 443.547 5.464 0 40 IKAB Cc1cccc(OCCCC(=O)N[C@@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c1C 13227608 GBFSLDADNQREIX-JOCHJYFZSA-N 444.579 5.144 0 40 IKAB O=C(C[C@@H](c1ccccc1)c1cc(Cl)ccc1O)NCC1(c2ccccc2)CCOCC1 13682963 ZNHNSVVPVGPFFS-QHCPKHFHSA-N 449.978 5.432 0 40 IKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Br)s1 13990251 FENXAIWTHBYJJF-UHFFFAOYSA-N 448.323 5.191 0 40 IKAB O=C(NC[C@@H](c1ccc(F)cc1)N1CCOCC1)c1cc2sc3ccccc3c2s1 14170546 XOHWTBYRANLSTM-SFHVURJKSA-N 440.565 5.058 0 40 IKAB Cc1cccc(C)c1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 14269801 ARDOSRGOOCHVFP-DHZHZOJOSA-N 445.371 6.397 0 40 IKAB O=C(Nc1nc2ccccc2s1)c1cccc(S(=O)(=O)Nc2ccccc2Cl)c1 14704318 VSUVVUYRIBKVDN-UHFFFAOYSA-N 443.937 5.003 0 40 IKAB Cc1cc(NC(=O)c2sc(COc3ccc(F)cc3)nc2C)ccc1Br 14850621 OJQVBRSYWQYGHJ-UHFFFAOYSA-N 435.318 5.493 0 40 IKAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 15975065 PTCNRTODXWZDHC-CQSZACIVSA-N 432.373 5.891 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCC2)c(Cl)c1 16525865 VWSLCGAVMZJFRN-UHFFFAOYSA-N 428.403 7.538 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)cc1 16639225 UCLMTFNRADYAMV-UHFFFAOYSA-N 438.886 6.719 0 40 IKAB N=c1n(Cc2ccc(Cl)cc2)c2ccccc2n1C[C@@H](O)c1ccc(Cl)c(Cl)c1 19707784 IXCLYGIZJDSJSJ-OAQYLSRUSA-N 446.765 5.664 0 40 IKAB CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@@H]1c1ccccc1 20065163 NKPVUUAYPKTESU-UKILVPOCSA-N 441.531 5.183 0 40 IKAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2cc(Br)ccc2Cl)cc1 21209316 JCSRENQTAKFJLH-UHFFFAOYSA-N 448.704 5.270 0 40 IKAB CCOc1cc(CNCc2ccc(OC)cc2)cc(Cl)c1OCc1ccccc1Cl 22076773 PPAPBJXPEGIEEN-UHFFFAOYSA-N 446.374 6.270 0 40 IKAB FC(F)Sc1ccc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1 24203674 VNTMUMUTBUDLSZ-UHFFFAOYSA-N 448.564 5.071 0 40 IKAB COc1ccc(-c2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)cs2)c(OC)c1 24843668 VVDLWLLHQRTNGN-SFHVURJKSA-N 430.595 5.070 0 40 IKAB Cc1ccc(-c2nc(CC(=O)N[C@H](c3ccccc3)c3ccc4nc[nH]c4c3)cs2)cc1 25035554 OFVQQFXMJHPDSY-RUZDIDTESA-N 438.556 5.443 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1nc(-c2cccs2)no1 26111798 YJXQBALFDVVFNT-LBPRGKRZSA-N 434.550 5.726 0 40 IKAB COc1ccc(-c2nsc(NC(=O)c3sc4cc(C)ccc4c3Cl)n2)cc1OC 27794517 YSXQIQCIFFBHGB-UHFFFAOYSA-N 445.953 5.651 0 40 IKAB Clc1ccc(OCc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)o2)cc1 28188012 ZVRLPZVWHMZFRO-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB Cc1ccccc1[C@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)c1ccccc1 28190355 NEHOISJDYDMDPS-OAQYLSRUSA-N 434.590 5.072 0 40 IKAB COc1cccc(Nc2nnc(SCc3noc(-c4ccc(Cl)cc4)n3)s2)c1 29292661 IKTRUFJUKJFQIL-UHFFFAOYSA-N 431.930 5.286 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 32112011 GPVJLEQGXCDFPM-UHFFFAOYSA-N 428.488 6.035 0 40 IKAB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)cc1 35042874 DZKYQKYWUIFBER-JCMHNJIXSA-N 436.964 7.025 0 40 IKAB Cc1ccc(C(=O)O)cc1NC1=NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)S1 35042889 ARONAIKWUJMONO-ODLFYWEKSA-N 438.892 5.689 0 40 IKAB O=C(CC=C(c1ccccc1)c1ccccc1)OCC=C(c1ccccc1)c1ccccc1 38338073 FKHIZKULNMIMIH-UHFFFAOYSA-N 430.547 7.184 0 40 IKAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501405 XVGKKDHWTBQWEO-IERDGZPVSA-N 425.479 5.038 0 40 IKAB COc1ccc(NC(=O)[C@@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl 38850223 UTAZOIGSWBWAMA-CYBMUJFWSA-N 427.759 5.506 0 40 IKAB Clc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccccc3)o2)cc1 41154358 QGWRWFCBBUIEJY-UHFFFAOYSA-N 431.904 6.863 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)cc1 44880891 SLQBZMJIJRYSDA-UHFFFAOYSA-N 426.513 5.176 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)N(C)c4cc(Cl)ccc4Cl)CC3)c2c1C 48374090 QCMFJUGODUJMNB-UHFFFAOYSA-N 449.407 5.494 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1cc(OC)cc(OC)c1 49005111 PCDBKMOOALSZKJ-SFHVURJKSA-N 434.540 5.104 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1ccc(Cl)cc1F 57487270 YTWPCRWPFCKHMN-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Br)cc2)o1 59294173 GQXAZUSXXYZTHE-UHFFFAOYSA-N 434.702 5.620 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cccc4C)nccn3n2)cc1 67290385 ZFAXKPDOFSCXRL-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB COC(=O)Nc1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 69626179 VBPFGKBKIWFASH-UHFFFAOYSA-N 429.712 6.292 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc2oc(-c3nc(-c4ccc(Cl)cc4)no3)c(C)c2c1 71761901 CROZUQRRYRXYBO-UHFFFAOYSA-N 445.928 5.142 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72215301 NWRRMNMRXYHLSU-QGZVFWFLSA-N 449.592 5.499 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)Nc3ccc(CN4CCCC4)cc3)sc3ccccc23)C1 72352629 UBZDXKCLXKMAAE-HXUWFJFHSA-N 447.604 5.085 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2s1 72356488 DCOSSSHXNWFTHW-LJQANCHMSA-N 431.536 5.826 0 40 IKAB Cc1c(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(Cl)cc4)[nH]n3)C2)oc2ccccc12 72371516 DXYVTNFSAHINSR-QGZVFWFLSA-N 449.938 5.369 0 40 IKAB CCCn1c(=O)c(C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)c(O)c2ccccc21 100504378 BBPMARJZECPJBK-UHFFFAOYSA-N 439.924 5.146 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(F)cc1 102481040 CUXOBOVWMVSPFU-MMTVBGGISA-N 440.518 6.786 0 40 IKAB Cc1ccccc1[C@@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@@H]2ON1c1ccccc1 102755969 UMZFKDLJITZBCJ-TWJOJJKGSA-N 434.495 5.199 0 40 IKAB CCOc1ccc(-c2cnc(NCc3c(F)cccc3Br)n2CCOC)cc1 199420701 FFCKLHDVBAWKSX-UHFFFAOYSA-N 448.336 5.109 0 40 IKAB O=C(COc1ccc(Br)cc1)NCCSCc1ccc(Cl)cc1Cl 218813961 ZKBKDGAZDNPEAD-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB CCOc1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 218906876 HUJPICQICGNEDG-UHFFFAOYSA-N 442.353 5.129 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 223511407 RWHURRRQPJYIOE-NRFANRHFSA-N 446.591 5.115 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223814256 URPFBJIIZZBTDR-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223838280 TXPZWHJDHDZSKB-RPBOFIJWSA-N 446.620 5.964 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224176886 ADMFJJYIJZUQSX-QFIPXVFZSA-N 440.653 5.035 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 224281903 FHLQBUPPJNVFMJ-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cccc(C)c1 224384367 RIQZKFQNDZGJQL-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224459181 QQPRWWFUHZMFQB-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccc(Cl)cc1 224460454 VTISBRYQRLPNQY-FGZHOGPDSA-N 434.952 5.355 0 40 IKAB O=C(CCc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224567629 QVTXCRBEANOKLG-UHFFFAOYSA-N 430.529 5.212 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCC1 224599893 MYOIHIDYPPYGPF-DNQXCXABSA-N 432.593 5.498 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1cccc2ccccc12 224630140 SVVIOUSRGYHFCF-UHFFFAOYSA-N 425.528 6.632 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224670591 PYDZZJJCKFJOAU-UHFFFAOYSA-N 446.399 6.614 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224700196 UWLYXZQTTLDHNW-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1cc(Cl)ccc1Oc1ccccc1 224864110 JRMDENJTJPPOET-UHFFFAOYSA-N 436.870 6.498 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 224882307 UDENMSRYWKFLSS-ZDUSSCGKSA-N 433.733 5.568 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3OC)o2)cc1 224920111 SHZBLFPNSDPBKR-UHFFFAOYSA-N 448.906 6.322 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225135298 UUUYYYLKXCKFOY-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 225551239 GYHNFYQUDHUANY-AUSIDOKSSA-N 429.004 5.303 0 40 IKAB O=C1c2cc3c(cc2[C@@H]2C[C@@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 247798823 DSTSQAROMMWVIN-RSEQLOHWSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro C[C@H]1C[C@@H]2[C@H]3C[C@H]4O[C@]5(CC[C@@H](C)CO5)[C@H](C)[C@H]4[C@@]3(C)CC[C@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 253590791 KEOLCBLQBIWDBI-IVZMVJBNSA-N 446.672 5.155 0 40 IKAB CCOc1ccccc1N(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1 408622328 BXLSXWRTRAISBV-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C1=O 409059562 QQRRWCWNSYHDPS-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB CCc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409116207 MYYDIYPYFNNNBP-UHFFFAOYSA-N 426.354 6.211 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 409209738 IEWUAUWRUUCGHK-JCMHNJIXSA-N 443.540 6.030 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1Cl 409263219 BDHIXXVDHFTVEW-UHFFFAOYSA-N 446.355 6.325 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 585294754 JEKUTRZOQLXDSH-LJQANCHMSA-N 426.973 5.343 0 40 IKAB O=C(Cc1ccccc1F)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575891 MUQWWKNXRUJYCF-UHFFFAOYSA-N 434.511 5.537 0 40 IKAB O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1ccccc1Br 755417 KLPDUJQYQLMZSL-UHFFFAOYSA-N 449.333 5.166 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 883282 MYKHJTMPHQYXCE-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB O=C(c1ccccc1Br)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363807 AZRJCHBJGCFEFH-AWEZNQCLSA-N 446.732 5.172 0 40 IKAB CC(C)c1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)C[C@H](C)CC3 1375678 HSENPXKXPVMUEM-OAHLLOKOSA-N 437.634 5.621 0 40 IKAB CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 1441878 LCHKXPXWDLBGEY-QGUKFAFCSA-N 445.902 5.261 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccc(C)cc2)cs1 1782379 KECXMVSSQMLFHM-DHZHZOJOSA-N 443.366 5.932 0 40 IKAB CCCCCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCC4 1832756 AOQQTKQYNSWOIL-UHFFFAOYSA-N 438.622 5.564 0 40 IKAB O=C(NC1CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Br)c2)n1 2117067 LFLFKJVYAQNTAI-UHFFFAOYSA-N 448.364 6.208 0 40 IKAB biogenic Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1C 2128679 RJXZUYMXQFHOFQ-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB CCCCc1nc2sc3c(SC/C=C/c4ccccc4)ncnc3c2c2c1CCC2 2230767 IDHBJMSMVQTSNT-DHZHZOJOSA-N 431.630 6.876 0 40 IKAB CCn1cc(-c2cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c3ccccc3n2)cn1 2805350 WECNJHSZMMKTLK-UHFFFAOYSA-N 442.853 5.625 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1cc(Cl)ccc1Cl 3217048 GJPFRPUACZLTFT-UHFFFAOYSA-N 441.270 5.597 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)cc1 3269296 ZZWHOLDCCOLANC-UHFFFAOYSA-N 441.582 5.094 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3427505 GYAFLSGODYNCGT-MRXNPFEDSA-N 429.520 5.506 0 40 IKAB CC(=O)C(C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 3846280 RGMXZJHDZJTGFP-VEXUSMLFSA-N 448.559 5.332 0 40 IKAB biogenic Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 6195450 OVSJOYJOWLNSHO-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)cc1 6481097 RTJSLGRTFQXUBW-UHFFFAOYSA-N 426.516 6.342 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1F 8443448 DBHCSXSHORSGQD-UHFFFAOYSA-N 429.963 6.125 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1cccnc1 8445906 LIQCVOZHOYOXPJ-UHFFFAOYSA-N 441.350 5.268 0 40 IKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(C)cc4s3)n2)cc1 8613753 RHPAPVQAMKQYSX-UHFFFAOYSA-N 440.981 5.901 0 40 IKAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8756213 OVTDBRDJLZAYPV-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 8756646 RDHLDTFYNAMSDX-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB CCCCCCSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 8818299 GKLRSWANIAOLBO-UHFFFAOYSA-N 443.682 6.962 0 40 IKAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)cc1F 8852574 CXADLRSEPSBIGJ-UHFFFAOYSA-N 449.960 5.156 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 9044383 WENAUEXWDPYYJE-CVDCTZTESA-N 447.362 5.831 0 40 IKAB COc1ccc(N2C(=O)C[C@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 9130061 BRWJHQDQUMMPGZ-HHHXNRCGSA-N 428.532 5.398 0 40 IKAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 9159312 QAIRBFFTJUHUND-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)c1 9161437 XTQWSXCIWVOMRG-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCCOC(C)C)cc1 9215711 ZQXZIHPZHHMPHC-NRFANRHFSA-N 441.524 5.014 0 40 IKAB O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)NC1CCCC1 9394389 AZGXFESXDLNEPB-UHFFFAOYSA-N 443.410 5.603 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cc(-c2cccs2)nc2ccccc12 9404654 PQCVCPRVKXPTOX-UHFFFAOYSA-N 446.535 6.759 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(Cc2cccs2)n1-c1ccccc1 9516760 XEXSVVIENSMTID-UHFFFAOYSA-N 435.574 5.423 0 40 IKAB O=C(N[C@@H]1CCSc2ccc(F)cc21)c1cn(Cc2ccccc2)nc1-c1cccnc1 9578941 UTQDLRUAEVHHKN-JOCHJYFZSA-N 444.535 5.099 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2nccs2)nnc1-c1ccc(Cl)cc1Cl 9699367 VKQODBIFCDVCOR-UHFFFAOYSA-N 442.397 5.095 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4cccc(Cl)c4)ccc3o2)cc(OC)c1OC 10120163 CMUILMKQMNSAPK-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2oc(=O)ccc2c1 10128808 MKNRBZFQAZXTJR-QPJJXVBHSA-N 426.255 6.012 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2C)cc1 10314274 MEIIYENQCSAACQ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10325381 DRAXYVMENSPEAR-INIZCTEOSA-N 440.952 5.041 0 40 IKAB COc1cc(-c2nc(C(=O)Nc3nc4ccccc4s3)c(C)s2)cc(OC)c1OC 11691874 YJWIKDOGMKATEZ-UHFFFAOYSA-N 441.534 5.006 0 40 IKAB O=C(Nc1nccs1)c1ccc2c(c1)CC(c1ccccc1)(c1ccccc1)OC2=O 11692953 JLTQXBBGHJALMF-UHFFFAOYSA-N 426.497 5.052 0 40 IKAB Cc1cccc(CC(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)c1 12237265 SSPAGGXQVOYVAZ-UHFFFAOYSA-N 445.588 5.013 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cccc(C)c3C)oc12 12437479 KUPXRPIAKVILQM-QPLCGJKRSA-N 433.529 5.432 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CC[C@@H](C)C2 12481306 OYBVTNPVOGMTQL-GFCCVEGCSA-N 425.381 5.281 0 40 IKAB O=C1CCCCC[C@H]1Sc1nnc(-c2cccnc2)n1-c1ccc(Br)cc1 12522455 TXIJHAQEHYHPIV-GOSISDBHSA-N 443.370 5.086 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)cc1 12590395 JCORTXKIMFNNPM-UHFFFAOYSA-N 446.506 6.159 0 40 IKAB Cc1cccc2sc(C(=O)Nc3nc(CN4C[C@H](C)O[C@@H](C)C4)cs3)c(Cl)c12 12756128 MDQLXQBUJBRNCK-STQMWFEESA-N 436.002 5.181 0 40 IKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccccc1SCC(F)(F)F 12818526 KLNOKGSKZURETE-UHFFFAOYSA-N 426.460 5.785 0 40 IKAB O=C(/C=C/c1c(F)cccc1Cl)OCc1csc(COc2ccc(Cl)cc2)n1 12883397 QXJCOJNONDTTRX-CMDGGOBGSA-N 438.307 5.925 0 40 IKAB O=c1c(Cl)c(N2CCC(Cc3ccccc3)CC2)cnn1Cc1ccccc1Cl 12981390 WTNBBCQUJQDJHV-UHFFFAOYSA-N 428.363 5.058 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N[C@@H](C)c4ccccc4C)c(=O)c23)cc1 12999960 YAKBTIQONNCZET-SFHVURJKSA-N 431.561 5.009 0 40 IKAB O=C(c1cc(-c2nnc(-c3ccc(Cl)cc3)o2)n(C2CCCC2)c1)c1ccccc1O 13060609 IHKMUQFQRNEOMH-UHFFFAOYSA-N 433.895 5.910 0 40 IKAB COCc1c(C(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)sc2cccc(F)c12 13099090 YKTVIGAILQLALW-JOCHJYFZSA-N 443.540 5.475 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 13109974 CDJBMRUYGWSGOD-UHFFFAOYSA-N 447.539 5.495 0 40 IKAB Cc1ccc(-c2csc3nc(CSc4ccc(C(F)(F)F)cn4)[nH]c(=O)c23)cc1 13115810 ONOFAQMBEPNENN-UHFFFAOYSA-N 433.480 5.666 0 40 IKAB COc1ccc2cc3c(N)c(C(=O)Nc4ccccc4Br)sc3nc2c1 13503440 QXVPQAOKZBXGSK-UHFFFAOYSA-N 428.311 5.055 0 40 IKAB Clc1ccc(OCc2nn3c(-c4ccc5ccccc5n4)nnc3s2)c(Cl)c1 13691533 IOCNUUXXMIAKDY-UHFFFAOYSA-N 428.304 5.287 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12 13709232 OCJHUGLILNBOSA-CQSZACIVSA-N 431.273 5.159 0 40 IKAB Cc1cccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 13898372 XVOXCEOEZYHERV-UHFFFAOYSA-N 428.822 5.752 0 40 IKAB Cc1ccc(-c2ccsc2C(=O)NCC(=O)Nc2ccc(Br)cc2C)cc1 14635336 BENMQWOHMLNLRZ-UHFFFAOYSA-N 443.366 5.163 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(=O)NCc1ccco1 14800917 ASTFIAQHFBXIGT-UHFFFAOYSA-N 449.894 5.089 0 40 IKAB COc1ccc(-c2n[nH]c(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2)cc1 15277433 FWHKVEYRAKSQIJ-HXUWFJFHSA-N 434.496 5.092 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 16347697 VTHADGUXHRKPJZ-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17099189 JWYXWFNUIOQFOF-UHFFFAOYSA-N 434.628 7.178 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)cc(C)c1OC 17099455 PYMAETFDCHALFV-GFCCVEGCSA-N 435.387 5.406 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)c1 17099822 YITPPDDWNRWNIH-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)cc1 19648252 LUEPZDYBXMJDJH-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB O=C(Nc1ccccc1)c1cc2cc3c4c(c2o/c1=N\c1ccccc1)CCCN4CCC3 20237273 ADZGBHZQPGWLOV-HYOGKJQXSA-N 435.527 5.616 0 40 IKAB COc1cc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)ccc1OC(C)C 20456694 QJWPVFAESVRBGZ-UHFFFAOYSA-N 428.381 5.339 0 40 IKAB COc1cccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c1OC(C)C 20851419 DTIMRGFXFISWFS-KRWDZBQOSA-N 440.337 5.872 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1 22523268 JOVSPVIJTUBTEP-HHHXNRCGSA-N 441.958 6.747 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 23193551 XSBPSLHXSBFPQO-NSYGIPOTSA-N 448.950 5.392 0 40 IKAB COc1ccc2cc([C@@H](C)C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)ccc2c1 24836277 SPNKSVRWVUMQDN-CQSZACIVSA-N 445.346 5.356 0 40 IKAB COc1cc(C(=O)NC[C@@H](c2cccs2)N(C)C)ccc1OCc1ccccc1Cl 25573135 ICGZIGYWMGKWBQ-IBGZPJMESA-N 444.984 5.022 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(/C=C/c2ccccn2)c1 27125030 NMLIRZHZVVFJPM-YJUNHESCSA-N 447.538 5.752 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116593 LGJVWRAMZCYTDE-VMPITWQZSA-N 439.147 5.693 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 32753163 KLXSJQANHHGLKE-FMIVXFBMSA-N 426.925 5.687 0 40 IKAB Cc1nc(COc2cccc(C(=O)N3CC=C(c4c[nH]c5cc(F)ccc45)CC3)c2)cs1 32933128 CYOZWZLGJMQEOF-UHFFFAOYSA-N 447.535 5.580 0 40 IKAB CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3)c2c1 32985743 MPAGEHHUKWYYPV-UHFFFAOYSA-N 426.472 5.096 0 40 IKAB COc1cc([C@H]2N[C@H](C(=O)O)CS2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 33479407 ZIAKTJSAPIEARV-YOEHRIQHSA-N 448.755 5.023 0 40 IKAB O=C1N=C(O)/C(=C/c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 35419317 XKJVDILTNQBBQD-PDGQHHTCSA-N 438.892 5.587 0 40 IKAB O=C1N/C(=N\c2cc(C(F)(F)F)ccc2Cl)S/C1=C\c1cccc2ccccc12 35647882 RCEBYMMGKVZXEI-ZDLGFXPLSA-N 432.854 6.404 0 40 IKAB C[C@H]1CCCCN1Cc1ccc(NC(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 40119466 ZKNHLAGYHWUCNK-IBGZPJMESA-N 432.568 5.057 0 40 IKAB O=C(OCc1coc(-c2cccs2)n1)C1CCN(C(=O)c2cccc3ccccc23)CC1 49604868 UKFUABOAZPCAAT-UHFFFAOYSA-N 446.528 5.152 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 59294642 OYFOHXGESVZOMW-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB O=C(c1ccc2oc(-c3cc(Cl)c(Br)c(Cl)c3)nc2c1)N1CCCC1 59843011 ZDEMPCRXBMHJGE-UHFFFAOYSA-N 440.124 5.800 0 40 IKAB Cc1ccccc1CC(=O)N1CC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 72337825 WCKFLZIELMIGRP-MISYRCLQSA-N 448.533 5.084 0 40 IKAB Cc1nc(CC(=O)N2CCC(c3cccc(Cc4ccc(Cl)cc4)n3)CC2)cs1 72350062 IPDXWKBRYRTOHD-UHFFFAOYSA-N 425.985 5.039 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)c4c(C)oc5c4CCCC5)C3)nc2)n1 72353368 YETVFMOTAHHGPJ-LJQANCHMSA-N 445.567 5.032 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CC4CCCC4)n3)ccc21 72396520 YFULUBJAJKQFIQ-UHFFFAOYSA-N 425.598 5.288 0 40 IKAB CC(C)(C)OC(=O)N1CCC(COc2nc3ccccc3n2Cc2ccc(F)cc2)CC1 79440607 LCEKIVQYTFHCBN-UHFFFAOYSA-N 439.531 5.250 0 40 IKAB O=C(NCc1cc(-c2ccncc2)n(C2CCCC2)n1)Nc1ccc(C(F)(F)F)cc1 90607159 LKBTYKDMHNJYEJ-UHFFFAOYSA-N 429.446 5.401 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1cccc(C(=O)N2CCCC2)c1C 95957792 AFONLKHDQCNRRU-UHFFFAOYSA-N 439.968 5.569 0 40 IKAB S=C1N[C@@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@H]23)N1c1cccc(Cl)c1 100890123 LWZPLZNHNPFDOQ-SZVBFZGTSA-N 435.774 5.427 0 40 IKAB CCCn1c(-c2ccc(S(=O)(=O)N3CCCCC3)cc2)cs/c1=N/c1ccccc1 101336844 GEEKHQRQBFPINT-WCWDXBQESA-N 441.622 5.034 0 40 IKAB COc1ccc([C@@H]2C=C(c3ccc(Cl)cc3)Nc3nc(-c4ccccc4)nn32)cc1O 101915760 ODGWEHHGTJGDDI-FQEVSTJZSA-N 430.895 5.369 0 40 IKAB CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccco4)C3=C(O)C2)cc1 103450748 RENLHQBTYTUIPA-WINIVTDRSA-N 427.548 6.755 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1C 113562358 NSODVGHPBMILLK-JOCHJYFZSA-N 445.544 5.372 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222935683 WRHDOLWHQXLCSZ-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 223642943 XKKKYKDRAIDJHZ-VWLOTQADSA-N 446.591 5.251 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223797975 JCWSKJWQZYZWLL-FQEVSTJZSA-N 435.539 5.920 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 223976666 CJNSOFKOEJLHAK-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1 224275366 FFEZBYPSXBESLR-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224320185 WDVPOAWNOPASME-GOSISDBHSA-N 445.946 6.572 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 224331371 OUWDSHOLYULSSO-BJKOFHAPSA-N 428.561 5.264 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2Cc2ccccn2)N1c1ccc(Cl)cc1 224475579 OROCQSKHRHPHJP-GOTSBHOMSA-N 445.979 5.157 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 224631704 ZGAMKSPOFWHWRX-XMMPIXPASA-N 440.653 5.116 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)cc1Br 224878170 CGVOQFLVSMTHBJ-UHFFFAOYSA-N 448.338 5.075 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225051510 LBENKSXWOSFLIC-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225056534 LRNDROMVXAIUQX-SFTDATJTSA-N 426.626 5.118 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225119848 HOBIDKQMCNKGPS-LEWJYISDSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225128528 WLIHKIPMPCBWKT-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225459879 GPOUUXWNQYPBQR-XMSQKQJNSA-N 447.044 5.295 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225606253 XDZDJOGFYSPEBW-FDDCHVKYSA-N 445.003 5.003 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cccc(C(F)(F)F)c1 225831880 WMWJQJLWPXUSFX-UHFFFAOYSA-N 437.421 5.994 0 40 IKAB O=C(c1ccc(Cc2ccccc2)nc1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257265358 LYILAJVTDBIEFH-SANMLTNESA-N 437.543 5.619 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257309082 TZLRRBBXTJAJCS-KRWDZBQOSA-N 430.961 5.093 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1[C@H]2CC[C@H]1CC(Cc1cccc3cnccc13)C2 257332644 XYCSPIOKXLYLNH-DQEYMECFSA-N 436.559 5.106 0 40 IKAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 257347674 PMJBQFRZSVOFFB-RBGZPGKTSA-N 448.644 5.137 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)C3=CC[C@]12C 257349519 ORGPIPGUNTVRMI-HXRZVSTASA-N 430.629 6.086 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1ccc(Cl)cc1 408550615 FRUBLVRJIPSBAD-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408563012 HNYUYRNIEKILPB-HEHNFIMWSA-N 432.951 6.048 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ccccc3c2)c1 408724167 GWXMPQZNGNBFRQ-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)Nc1cccc(Cl)c1 409169867 RMLZZTCTHZNNSB-GIDUJCDVSA-N 441.723 5.322 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(C(F)(F)F)cc2)C1=O)Nc1ccccc1Cl 409240052 ODUNNOCZPVLAPY-OQLLNIDSSA-N 440.830 5.034 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)C2CCCCC2)c(C)c1 409367036 BFQJZGYNSZJVFG-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB O=C(c1ccc(F)cc1)n1nc(Nc2ccc(Cl)cc2)cc1Nc1ccc(Cl)cc1 575443678 YDDFIJQIYJAJSL-UHFFFAOYSA-N 441.293 6.505 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(CC3CCCCC3)Cc3ccccc32)c1 643562956 APXXJOQWBBGSRM-UHFFFAOYSA-N 434.624 6.298 0 40 IKAB O=C(Nc1ccc(OC(=O)c2ccccc2)c(-c2nc3ccccc3o2)c1)c1ccccc1 678014 YFUVNABLTFFDLN-UHFFFAOYSA-N 434.451 5.966 0 40 IKAB Cc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 937480 VCDXGQQQNYKEIF-UHFFFAOYSA-N 428.970 5.541 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 1017040 VGAGNKVFIWGXNF-LLVKDONJSA-N 427.136 5.180 0 40 IKAB Cc1cc2cc(C)c3nnc(SCC(=O)Nc4nc5ccccc5s4)n3c2cc1C 1223258 RKPIBMXVCPRNJR-UHFFFAOYSA-N 433.562 5.148 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)c3ccco3)cc2c1 1367878 DJKDUGOEGIHWJK-UHFFFAOYSA-N 426.925 5.784 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)nc2ccc(F)cc12 1454205 QTMXCJNSANWDAJ-UHFFFAOYSA-N 435.760 6.671 0 40 IKAB O=C(Nc1cccc(Cl)c1)Sc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl 1661307 LMLKELRIISNWDR-UHFFFAOYSA-N 435.974 7.931 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(Cl)c1OCc1ccccc1C 2083947 FIZJRWLEZXSQQT-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(CCc3ccccc3)c3c(c12)CCCC3 2247590 JGZTZSYGLFPOSW-UHFFFAOYSA-N 427.573 5.795 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)cc1 2414745 ZDICCOBPMKJRML-DEOSSOPVSA-N 443.474 5.037 0 40 IKAB COc1ccccc1-c1coc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O 2667569 CWOXJOBJFLUKLK-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic COc1ccc2[nH]c(C)c(CCN(Cc3ccncc3)C(=S)Nc3cccc(C)c3)c2c1 2722571 OQKWOEXLHBRPDE-UHFFFAOYSA-N 444.604 5.630 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2740414 ZYVJWXLPOVSSAG-UHFFFAOYSA-N 428.963 7.241 0 40 IKAB CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1ccc(OC)cc1OC 2768376 KUWDLWFWUYACQQ-UHFFFAOYSA-N 449.547 5.076 0 40 IKAB CC(C)(C)CC(=O)N(Cc1ccccc1)C[C@H](O)COc1ccc2oc3ccccc3c2c1 3236475 JRGKVUCWJNSHIP-NRFANRHFSA-N 445.559 5.791 0 40 IKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(SC(F)F)cc3)ccc21 3256351 REMFNEYAEWDODY-UHFFFAOYSA-N 427.545 6.938 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)cc1 3294248 LNVSQKBVPXGQIN-UHFFFAOYSA-N 442.610 5.210 0 40 IKAB CCC(CC)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 3360899 FNTYQXZYRCFVCR-UHFFFAOYSA-N 436.625 5.629 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3387127 LLLIWWPXTYMWBC-UHFFFAOYSA-N 432.520 6.330 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2c(-c3cccc(C(F)(F)F)c3)cc(O)cc12 3764217 LZMANJHZNKDTDR-UHFFFAOYSA-N 426.390 6.668 0 40 IKAB CCCCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1ccccc1Cl 6078049 YZLHLPSAQSZFJW-UHFFFAOYSA-N 444.004 5.383 0 40 IKAB Clc1ccc(Cn2c(-c3cccs3)nc(-c3ccccc3)c2-c2ccccc2)cc1 8426406 ILNPYGAIHBPVGH-UHFFFAOYSA-N 426.972 7.647 0 40 IKAB CN(C)CCCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(Cl)cc2s1 8683815 QRLKDFRBQFZOLB-UHFFFAOYSA-N 428.001 5.427 0 40 IKAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OCC 8918624 ALRFUPNFCYXTHO-LLHNEZGQSA-N 448.607 5.600 0 40 IKAB biogenic COc1ccc(C2=Nc3ccccc3N[C@@](C)(c3ccc(OC)c(OC)c3)C2)cc1OC 9097308 XTDLESGUKNUCHG-AREMUKBSSA-N 432.520 5.573 0 40 IKAB COc1ccc(C(=O)Nc2cccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)c2)cc1 9169492 ZFKIMTRLPAJDRY-QGOAFFKASA-N 444.512 5.573 0 40 IKAB O=C(CCCSc1nnc(Cc2cccs2)n1-c1ccccc1)c1cccs1 9205093 SLDHHIFMEFLEEY-UHFFFAOYSA-N 425.604 5.736 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C 9224256 VKHAHZOOUSRJNA-IQHLRJQLSA-N 429.604 5.407 0 40 IKAB biogenic,in-vitro Cc1ccc(CSC2=NCCN2C(=O)c2c(-c3ccccc3Cl)noc2C)cc1 9277467 RMPJFQLFZCDGJH-UHFFFAOYSA-N 425.941 5.357 0 40 IKAB COc1cc(CNCc2cccs2)ccc1OCCOc1cccc(Br)c1 9464457 HWXIMYSYGOHYIC-UHFFFAOYSA-N 448.382 5.267 0 40 IKAB Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4Cl)n3C3CCCC3)nc2n1 9592053 TYQICKZSXZBMCN-UHFFFAOYSA-N 438.988 5.665 0 40 IKAB Cc1cc(NC(=O)CSC2=NC(C)(C)N=C2c2ccccc2)ccc1Br 9599233 PSGIQSXSBSYSDA-UHFFFAOYSA-N 430.371 5.067 0 40 IKAB O=C(OCc1cc(Cl)cc2c1O[C@@H](c1ccccc1)OC2)c1cc2ccccc2oc1=O 9728635 MOTKLDBAXDOGSA-VWLOTQADSA-N 448.858 5.411 0 40 IKAB Cc1ccc(C(=O)c2cnc3ccc(F)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1C 9847527 HOFHFHGHRQAXRI-UHFFFAOYSA-N 447.531 5.671 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCCC2)cc1 9972111 DSUFVMTUGRCXLT-CSKARUKUSA-N 427.331 6.506 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 10060176 GUOOLVMZYUMEED-JOCHJYFZSA-N 448.448 5.983 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 10215234 YJGYYWPHWQMTAU-LJQANCHMSA-N 431.517 5.427 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10366709 FRWSGKPSPXOCEO-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB O=C(Nc1ccc(-c2ccc3nnc(-c4ccccn4)n3n2)cc1)c1cccc2ccccc12 11665527 KBAVOIBHENHNIY-UHFFFAOYSA-N 442.482 5.259 0 40 IKAB CCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 12062895 QXYGZTUNXPZILA-DEOSSOPVSA-N 449.547 5.490 0 40 IKAB CN1C(=O)[C@]2(Nc3ccccc3C(=O)N2c2ccc3c(c2)oc2ccccc23)c2ccccc21 12416887 GCPZTOAYQRIONH-NDEPHWFRSA-N 445.478 5.488 0 40 IKAB O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cccc(C(F)(F)F)c1 12440885 VZBUKLYONGETJD-UHFFFAOYSA-N 435.833 5.001 0 40 IKAB O=C(c1cccc(F)c1)N(CCc1ccccc1)c1nc(-c2ccc(Cl)cc2)cs1 12469204 BUDMBEPYIDTEOI-UHFFFAOYSA-N 436.939 6.492 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)n1Cc1ccccc1 12494075 NZFMBGFSIPGUNV-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1C 12539300 NIIIHWCSDZGKLD-UHFFFAOYSA-N 431.536 5.378 0 40 IKAB CCc1ccc(-c2csc(NC(=O)CSc3nccn3-c3ccc(C)cc3C)n2)cc1 12546462 ZKPYGIBIKOZPFV-UHFFFAOYSA-N 448.617 5.906 0 40 IKAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4ccccc4F)n3C3CC3)on2)cc1 13126917 GNHSBPBTTUMBKZ-UHFFFAOYSA-N 449.511 5.113 0 40 IKAB O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1ccc2ccccc2c1 13237043 VYVGMDSVDJLUHH-UHFFFAOYSA-N 426.390 5.358 0 40 IKAB CCc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 13365546 QRNMYVVVMLJWMM-NRFANRHFSA-N 432.911 5.864 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 13771000 QMPCFFAWGGZZJL-DSITVLBTSA-N 440.543 5.344 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)c1ccc(F)c(F)c1 14069753 ZOWBKARPXLOHCS-CQSZACIVSA-N 425.460 5.228 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccccc2OC)cc1OC 14608029 UUDUIOSQEVIMBV-DEOSSOPVSA-N 443.503 5.062 0 40 IKAB Cn1c(SCC(=O)Nc2nc(-c3ccccc3)cs2)nnc1-c1cc2ccccc2o1 15018986 RWYUQHSLFDWOJC-UHFFFAOYSA-N 447.545 5.083 0 40 IKAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)c1ccc(F)cc1 15906137 KZGVVUBQIQVATP-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 16751930 YDFLLDSKJSUJLK-XMMPIXPASA-N 433.548 6.097 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C(C)(C)C)cc3)cc2s1 17094526 WZHZAYZROYSZRM-UHFFFAOYSA-N 425.554 5.350 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)cc1 17103189 UZAZUCJNRQUDPT-INIZCTEOSA-N 439.353 6.340 0 40 IKAB O=C1N(N2C(=O)C3(CCCCC3)[C@H]2c2ccccc2)[C@@H](c2ccccc2)C12CCCCC2 18009567 WRNWFFYJWXGPTL-PSWAGMNNSA-N 428.576 5.969 0 40 IKAB Cn1cc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)n1 19290044 HYZINTBUMXRPSW-FQEVSTJZSA-N 429.351 5.085 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OCC(C)C)c4)cc3)nc2c1 19636518 ZNPNJCRUKYWJHP-IBGZPJMESA-N 442.559 7.295 0 40 IKAB Cc1ccccc1OCCn1c(=N)n(Cc2ccc(Br)cc2)c2ccccc21 19799507 IBZIUAJOVALDNF-UHFFFAOYSA-N 436.353 5.120 0 40 IKAB Cc1c(-c2ccccc2)c(N)c(Sc2nc3ccccc3s2)c(=O)n1-c1ccccc1 20635013 FORSMVZAEBKQBN-UHFFFAOYSA-N 441.581 6.156 0 40 IKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)NCc3ccc(Cl)cc3)cc21 22510173 CUTDJWVHUPXBIR-UHFFFAOYSA-N 443.975 5.459 0 40 IKAB Cc1cccc(CSc2nnc(NC(=O)c3cc(-c4ccc(C)c(F)c4)on3)s2)c1 27989853 NTIKOLBQFWZSAD-UHFFFAOYSA-N 440.525 5.494 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)N3CCN(Cc4cccs4)CC3)o2)cc1 28631855 KQYPOZKKGOIZJA-UHFFFAOYSA-N 438.593 5.176 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)c1 33000455 KEDULBJVUBVXJH-UHFFFAOYSA-N 439.606 5.854 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 34933881 FFQWJFWUZNKFCB-UHFFFAOYSA-N 448.906 5.282 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 38398747 XUGISPSHIFXEHZ-FDTCTUJQSA-N 428.701 7.960 0 40 IKAB biogenic,in-vitro O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 42384864 NUCHACCEZXUJAP-GFCCVEGCSA-N 428.457 5.082 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 44855175 QBBDWPFHEWIHBM-DENIHFKCSA-N 426.988 5.279 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1ccccc1Oc1cccnc1 57993039 HYSNFBRBTKOVOV-UHFFFAOYSA-N 438.940 5.527 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccccc2Cl)CO4)cc1 61997680 POAHFFGBUOONNO-UHFFFAOYSA-N 447.918 5.783 0 40 IKAB biogenic COc1cccc([C@H]2CC(c3cccc(C)c3)=NN2C(=O)/C=C/c2ccccc2)c1OC 89669285 NEPANPQMHDSFSM-RFAWQRTRSA-N 426.516 5.403 0 40 IKAB COC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4cccc(C)c4)cc3)cc2)CC1 96122401 CPEWTBVFUQLTLA-UHFFFAOYSA-N 436.577 5.078 0 40 IKAB C[C@@H]1CC[C@@H]2C(=O)N(c3cccc(C(=O)Oc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 102080701 RLDHEJRFLYLOHX-OAUYIBNBSA-N 432.303 5.138 0 40 IKAB C[C@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 109016470 POPRPECCKAJPEI-LCLWPZTBSA-N 438.572 5.681 0 40 IKAB O=C(NCc1cccc2ccccc12)C1CCN(Cc2ccc(Br)cc2)CC1 222876496 HJQJOGDXGDFGAL-UHFFFAOYSA-N 437.381 5.131 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223054343 XCTXGHBSICMJRK-RUZDIDTESA-N 448.994 5.396 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223057983 RITHQBMFAQHXMY-AREMUKBSSA-N 432.608 5.289 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 223082964 YYAYSOFZJRDNRM-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223208976 SALFDSWWYZJJLZ-DEOSSOPVSA-N 438.612 5.185 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223340713 OKWLKNDTDPFPLD-GOTSBHOMSA-N 447.585 5.900 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223749688 JTIYZMSXZJGTOR-QFIPXVFZSA-N 447.044 5.546 0 40 IKAB CN(Cc1cccc(Cl)c1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 224103662 STDXNGQDEZBNPJ-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224315161 GKMWQVFXJCCWQN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544488 SETBVTCJWJRPOO-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCCC1 224600244 HNFFKWAMFXJDJS-DQEYMECFSA-N 446.620 5.888 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225015200 WBPCJLKMYZRKFA-RTBURBONSA-N 447.044 5.214 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225262066 GSPQNSPZRIGAPJ-RQZCQDPDSA-N 434.373 5.700 0 40 IKAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ccc(CSc2ccccc2)cc1 225306255 VVGSHKLDIZPSOI-UHFFFAOYSA-N 433.429 6.772 0 40 IKAB CC1(C)COc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2OC1 225362418 QCFDAZGEMJSFGD-UHFFFAOYSA-N 435.907 5.621 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225482644 YZBADDWLJBGLNT-OFNKIYASSA-N 426.626 5.032 0 40 IKAB COc1cc(C)c(C(=O)NCCSCc2c(Cl)cccc2Cl)cc1C(C)C 225658800 MSDQNYGFRDOIOQ-UHFFFAOYSA-N 426.409 6.097 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 408618746 FKMIJNQIQLHRFX-PJYWLYPCSA-N 448.349 5.738 0 40 IKAB CCOc1ccccc1N(Cc1c(Cl)cccc1Cl)S(=O)(=O)c1ccccc1 408627659 OINKJENEOFNFHF-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 408639397 FZKVYPUCJQFHGU-IBGZPJMESA-N 430.504 5.178 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cc(C)ccc2C)cc1 408698181 LUHQEMZEBQZYIJ-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB COc1ccc(OC)c(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)c1 408826460 JKFSWTRCWYQAPQ-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2)c1 409099784 UECPUGWJNLDMCM-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409122355 YKKXPXBIUSAMLW-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1 409261274 CEMPPZYFDVFAOW-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB O=C(CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1)Nc1ccc(Cl)c(Cl)c1 409271178 JSFYBAVGCDUWGN-UHFFFAOYSA-N 448.162 5.816 0 40 IKAB COC(=O)c1ccc(C(=O)OC)c(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c1 409331926 IFYUBGKWAMCTRH-XSFVSMFZSA-N 449.890 5.093 0 40 IKAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1ccccc1C)CCOCCO2 643574247 LDZHFDNMTHZLHG-UHFFFAOYSA-N 443.587 5.129 0 40 IKAB CC(C)(C)[C@@H]1COC(C(Cc2ccccc2)(Cc2ccccc2)C2=N[C@H](C(C)(C)C)CO2)=N1 1911947583 GKBCJHLRVUHQRT-ZEQRLZLVSA-N 446.635 6.145 0 40 IKAB COc1cc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)cc(OC)c1 906280 WXYPWXPDMBWWHN-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB Cc1nc(SCC(=O)Nc2nc3c(s2)CCCC3)c2c3c(sc2n1)C[C@H](C)CC3 1326248 SPHKAGRCOYVSNG-LLVKDONJSA-N 444.651 5.191 0 40 IKAB COc1cc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)cc(OC)c1OC 1328687 YRLXBCCZRAADFI-UHFFFAOYSA-N 427.309 5.362 0 40 IKAB Cc1ccccc1CCN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 1371050 JAPOERCZTLGDLO-UHFFFAOYSA-N 439.559 5.730 0 40 IKAB CC(C)(C)c1ccc(CON2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1 1383947 BHUKKPQREMVXPO-CVQXOBEKSA-N 437.539 5.308 0 40 IKAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Sc1cccc(Cl)c1 1401163 WYJOCCKBKUKOBU-UHFFFAOYSA-N 447.816 5.774 0 40 IKAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1C 1436715 RJBBHEWRCSTEBU-RUZDIDTESA-N 441.531 5.261 0 40 IKAB [O-][n+]1onc2c(-c3ccc(Cl)c(Cl)c3)nnc(-c3ccc(Cl)c(Cl)c3)c21 1437226 SFPUKYCQHVUKCB-UHFFFAOYSA-N 428.062 5.199 0 40 IKAB ClC1=C(Cl)[C@]2(Cl)C[C@H](COc3ccc(Cl)cc3)[C@@]1(Cl)C2(Cl)Cl 1560258 GRPJFZFIUCJBJN-BLBGDKDGSA-N 441.396 6.571 0 40 IKAB Cc1ccc(S(=O)(=O)[C@]2(Sc3ccccc3)S[C@H]2C(=O)c2ccccc2)cc1 1570684 NKNCSWBBCULUOZ-FCHUYYIVSA-N 426.584 5.213 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 1755842 ZHUBKPUPQGZTAQ-UHFFFAOYSA-N 432.589 5.778 0 40 IKAB Cc1ccc(-c2ccc(OC(=O)c3cc4cc(Br)ccc4oc3=O)cc2)cc1 1771927 LQCYEPCEPVVQKJ-UHFFFAOYSA-N 435.273 5.750 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c(C)c1 2079557 LVPSFDMVVSUYTB-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CCc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 2194898 YJBPAXNOMNBLQI-VSGBNLITSA-N 440.612 6.455 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1Cl 2196911 ACBJVAVYFVRNML-UHFFFAOYSA-N 448.034 7.154 0 40 IKAB Fc1nc(F)c(Cl)c(Nc2ccccc2Nc2c(F)c(F)nc(F)c2Cl)c1F 2205665 PHCAWWUZNCDOTA-UHFFFAOYSA-N 439.146 6.105 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)c(OC)cc32)cc1 2691966 GNMWLTINCAKOOE-UHFFFAOYSA-N 439.515 5.586 0 40 IKAB Brc1ccc2nc(CSc3ncnc4sc5c(c34)CCCC5)cn2c1 3183747 DENHWUGWZPVFSK-UHFFFAOYSA-N 431.384 5.273 0 40 IKAB c1ccc(-c2ncc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)s2)cc1 3504319 UKDGHCOLOSAPKV-MRXNPFEDSA-N 440.619 5.601 0 40 IKAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 4073921 BZNIIOGSANMIET-WCBNQFHPSA-N 442.728 7.238 0 40 IKAB biogenic CCCCOc1ccc(C(=O)N(C)c2nnc(C34CC5CC(CC(C5)C3)C4)s2)cc1 4078444 AEHPWCTVXBRNDJ-UHFFFAOYSA-N 425.598 5.461 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C)cc3)c2C(=O)OC)C1 5454009 VEGBLIRVJZKGST-GPZRYRNASA-N 425.594 6.036 0 40 IKAB Cc1ccccc1-c1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)Nc2ccc(Cl)cc2)C1 8297461 ORDSJMMQWUDWNL-ZWKOTPCHSA-N 433.939 5.128 0 40 IKAB biogenic,in-vitro COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 8755693 SUVGCFZKVOQFLH-IBGZPJMESA-N 445.950 5.576 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 8832222 VFNQDAIRGOUOMG-UHFFFAOYSA-N 446.869 6.034 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8862412 GXNPBRVXKDKRNR-DLBZAZTESA-N 438.572 5.037 0 40 IKAB CN(C(=O)c1ccccc1C(=O)OCc1c(F)c(F)c(F)c(F)c1F)c1ccccc1 9010682 LDCCYJTVBRRRGO-UHFFFAOYSA-N 435.348 5.016 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 9136351 JVMLTTYECUQPEL-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB Clc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccccc2)[C@H]3c2ccc(Cl)cc2)cc1 9301806 AMGADLQGZRNVQK-BAJYBRIYSA-N 433.382 7.794 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N[C@H](C)c3cccs3)nnc2-c2ccccc2)cc1 9464369 GZLNIWDQUGNGIA-QGZVFWFLSA-N 434.590 5.274 0 40 IKAB Cc1ccc(OCc2n[nH]c(S[C@@H](C)C(=O)Nc3cccc(Cl)c3Cl)n2)cc1 9562104 FBLFLKQWEGNDFY-LBPRGKRZSA-N 437.352 5.118 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1C 9591692 AVSZWLUGRCHZCB-KRWDZBQOSA-N 431.463 5.826 0 40 IKAB CCSc1nsc(NC(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)n1 9614826 CGZQKODBZFYRFJ-UHFFFAOYSA-N 433.946 5.200 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)c1 9707725 ORYCAXFEKMPSCP-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB Cc1ccc(C)c(-c2nn([C@@H](C)C(=O)Nc3ccc4c(c3)CCC4)c(=O)c3ccccc23)c1 9949226 AIVCHPCSCIOXEN-IBGZPJMESA-N 437.543 5.369 0 40 IKAB Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1Cl 9949234 SDTINMJZCBWUTD-UHFFFAOYSA-N 447.774 7.484 0 40 IKAB COc1cccc(C(=O)Nc2cccc(-c3nc4cc(C(=O)c5ccccc5)ccc4[nH]3)c2)c1 10013426 SVMDQINZSBDPFD-UHFFFAOYSA-N 447.494 5.722 0 40 IKAB CCOc1ccc(-c2ccc(OCCNC(=O)c3ccc(-c4ccccc4)cc3)nn2)cc1 10336143 ZJPPKDRKTDJBMW-UHFFFAOYSA-N 439.515 5.018 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 10368932 DVHHPROBCQJDIT-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1ccc2oc(C(=O)NC[C@H](C)c3nc4ccccc4n3C(F)F)c(C)c2c1 10637841 DUVDBPCNIYUPGU-ZDUSSCGKSA-N 427.451 5.418 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195674 QHLFBLZCLTWWCE-WIOPSUGQSA-N 434.923 5.990 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccccc3N3CCOCC3)c2c1 12525024 KKKZDKMVCMJCQP-UHFFFAOYSA-N 445.588 5.613 0 40 IKAB COc1ccc(Cl)cc1-c1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)[nH]1 12822399 LJUFABUCHBDCRP-LBPRGKRZSA-N 446.001 5.530 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nnc(Cc3cccs3)n2CCc2ccccc2)n1 12912088 MXDHWDZCADIYRV-INIZCTEOSA-N 439.610 5.533 0 40 IKAB C[C@@H](NC(=O)Cc1csc(NC(=O)c2cccs2)n1)c1ccc(Cl)cc1Cl 13004540 GMOPPPRAZWYHGL-SNVBAGLBSA-N 440.377 5.184 0 40 IKAB Cc1ccc(-[n+]2c(C)cc(/C=C3\Sc4ccccc4N3Cc3ccccc3)cc2C)cc1 13051396 VDWIRBXSGPONIP-UHFFFAOYSA-N 435.616 6.999 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 13109411 LOKIQSBYRQELKJ-NIYFSFCBSA-N 442.559 5.887 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1CN(C(=O)c1ccccc1)c1ccc(Cl)cc1 13382142 RKJCLXKWHZXDIB-UHFFFAOYSA-N 436.342 6.335 0 40 IKAB O=c1[nH]c2c(cc1CNc1ccc(Cl)cc1)c(-c1ccc(F)cc1)nn2-c1ccccc1 13564725 AIVFTRBYBQXLQL-UHFFFAOYSA-N 444.897 5.785 0 40 IKAB c1ccc(C(CNCc2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc2)cc1 14070268 RZVKDGAIBAFGCF-UHFFFAOYSA-N 430.555 5.856 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)CCc3c[nH]c4ccccc34)ccc21 14357615 MXWWPHRIHTYRTC-UHFFFAOYSA-N 439.515 5.410 0 40 IKAB COc1ccc(Br)c([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)c1 15016858 YDUWLUHIHQNHKP-RXVVDRJESA-N 441.350 5.762 0 40 IKAB Cc1cccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)c1C 15412411 BDAIBQIQJLCCFT-SANMLTNESA-N 446.978 6.201 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1)c1ccc(-c2cccc(F)c2)o1 16399185 NRKMRIHMBDRWIP-UHFFFAOYSA-N 433.826 6.195 0 40 IKAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1Cl 16688697 BLRKKTFUIQVCFZ-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB O=C(Nc1ccc(-c2noc(/C=C/c3ccccc3)n2)cc1)c1ccc(Br)o1 17099929 LZBFDEXAZTVRGZ-AWNIVKPZSA-N 436.265 5.515 0 40 IKAB Cc1ncc(CN2CC[C@H]3[C@H]2CCCCC(=O)N3Cc2cccc(C(F)(F)F)c2)s1 19713166 FTAFQDMAAGFVCE-UXHICEINSA-N 437.531 5.016 0 40 IKAB CCCCCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057527 NWOFAAPCCXSPAV-UHFFFAOYSA-N 428.627 5.237 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(F)cc3)c2c1 20382482 MWAVIFFHSTUTNL-UHFFFAOYSA-N 434.536 5.690 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)C1 20456845 XWNPWGLDKMTZTE-OAQYLSRUSA-N 430.617 6.463 0 40 IKAB CC(C)c1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 20671712 JWOSIRMRYMKSJR-HXUWFJFHSA-N 428.561 5.453 0 40 IKAB COc1ccc(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)cc1Cl 20745830 XQWAUONTQZSDLL-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2Cl)c2ccccc2)c1C 26770805 TZZCWGGTTDNXFJ-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB CC(C)c1noc(-c2ccc(OCC(=O)N(Cc3ccccc3)Cc3ccco3)cc2)n1 32579154 FXFWAHOYWYITIK-UHFFFAOYSA-N 431.492 5.061 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccccc2)c1 32685726 IRVDSBKFSYAZIC-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CSc1ccc(/C=C2\SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1 33769723 ZZIPCTGMEGXLKT-PXNMLYILSA-N 425.362 5.821 0 40 IKAB CCOC(=O)[C@H]1C(=O)Oc2ccccc2[C@@H]1[C@H](C(=O)c1ccc(Cl)cc1)c1ccccc1 33821792 HCCASHTVIJTISL-ZLNRFVROSA-N 448.902 5.189 0 40 IKAB O=C(CN1CCc2sccc2[C@@H]1C1CC1)N1CCC[C@H](c2nc3ccccc3s2)C1 35271205 IJTHSHYWZIATEW-SBUREZEXSA-N 437.634 5.073 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)[C@@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 36025448 VCYLUWWVUJRDTH-CTNGQTDRSA-N 425.569 5.385 0 40 IKAB biogenic CCOc1nc2ccccc2nc1N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2Cl)C1 44803534 LSBDJKJFJGNFFS-CQSZACIVSA-N 445.350 5.190 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 48332803 LVNUNUFKMVYPBU-VXKWHMMOSA-N 442.588 5.250 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)c(C)c3)oc12 67295820 QPXKUSYRTWUAPK-PNHLSOANSA-N 433.895 5.591 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)cc1Cl)N1CCCCC1 72328474 BGLGDIZMJYPOLW-UHFFFAOYSA-N 432.326 5.919 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC2CCCC2)CC1 72345132 DAXUOJWTQLMVNI-UHFFFAOYSA-N 432.608 5.140 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@H](c3ccc(Cl)c(F)c3)C2)c(OC)c1 95945166 VDVCXAFGYOENFH-IBGZPJMESA-N 428.847 5.081 0 40 IKAB Cc1csc(NC(=O)N(Cc2ccccc2)C[C@@H](O)c2ccccc2C(F)(F)F)n1 96012633 LHLLIDJKLYEJET-GOSISDBHSA-N 435.471 5.238 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 101027538 VFLVERBIEIQBPN-HKBOAZHASA-N 439.298 5.045 0 40 IKAB Cc1nc(SCC(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)c2c3c(sc2n1)CCCC3 102244509 GWTAGMYOTVZZKW-CMJOXMDJSA-N 429.655 5.398 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 108085972 NEVINVNYXFIOEQ-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(Cl)c(Cl)c2)c1C 138553423 FXVFHQOMFNTANF-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@@H]1COc2ccccc2O1 206896285 VGSYYZQKCZFYHX-QFIPXVFZSA-N 432.476 5.395 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Cl 222843746 KRQOVEPZQVDQRV-SFHVURJKSA-N 436.939 5.027 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223028157 VHERHBNMXZKMTE-UXHICEINSA-N 448.375 5.267 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 223595930 CFBHUWNEGWEKDP-DEOSSOPVSA-N 438.612 5.087 0 40 IKAB CC(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 224083653 WVMNGLFASNLMSB-UHFFFAOYSA-N 442.968 5.194 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 224113736 GZWDCBZCRRSCNM-IBGZPJMESA-N 447.044 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(C)c1 224384215 WRMKFSRONLFQLI-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224587906 JEZYWPARTPOJRE-QHCPKHFHSA-N 429.004 5.161 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 224965776 FIBWWWMNUAXUAI-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1 225051874 YDURCBLZHYVFDS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(c1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1)N1CCCCC1 225300953 BJOJDODFIXBROP-UHFFFAOYSA-N 448.057 5.186 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 225529506 CIIVZNRIASYRRR-QPPBQGQZSA-N 440.653 5.508 0 40 IKAB CC(C)[C@@H]1C[C@@]2(CO[C@H]1c1ccc(F)cc1)CN(C(=O)c1cccc(Cl)c1)CCO2 257233878 GRDUFIFXLYJIML-FIXSFTCYSA-N 431.935 5.124 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1Cl 408613537 VEVPRGXBIWBMNZ-UHFFFAOYSA-N 446.330 6.281 0 40 IKAB CCc1nnc(S/C(=C\c2ccc(-c3ccc(C)cc3Br)o2)C(=O)O)o1 408633314 XRPFSKUFKIUXSN-DHDCSXOGSA-N 435.299 5.181 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(Cl)c2)cc1 408698123 NVLWFWWMRQNVPV-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(C)cc2C)cc1Br 409111843 DGJBUZRPZTXZCC-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB CCCOc1c(I)cc(CNc2ccccc2CC)cc1OC 409118988 VLVHUZPXEAKZCG-UHFFFAOYSA-N 425.310 5.263 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)cc1 409179533 PRQFXADMMYBBAT-QNGOZBTKSA-N 438.549 5.103 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)cc1 892446 IXUUBEIPAPZCJB-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB Cc1ccc(CSc2nnc(-c3cccc(NC(=O)c4ccc(C)cc4)c3)n2C)cc1 1005201 JIAORJFYGSCJCP-UHFFFAOYSA-N 428.561 5.644 0 40 IKAB CCOc1cc(NC(=O)C2CCCCC2)c(OCC)cc1NC(=O)c1ccc(Cl)cc1 1223650 SHIWHQYRJPWXSO-UHFFFAOYSA-N 444.959 5.909 0 40 IKAB Cc1ccc(C(=O)[C@H](OC(=O)c2ccccc2Nc2ccccc2)c2ccccc2)cc1C 2079638 HJVHSLTYQWOQNN-MUUNZHRXSA-N 435.523 6.828 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccc(Cl)cc1 2219571 BCYQBWMBGJVSIE-UHFFFAOYSA-N 444.343 5.868 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)c(C)c1 2221361 CNFAFXPMGPKATR-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccccc2)cc1 2449416 JMYIXHFBOKXATG-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB O=C(COc1ncnc2c(Cl)cc(Cl)cc12)N(C1CCCCC1)C1CCCCC1 3302466 DGZWFRKETZEVRJ-UHFFFAOYSA-N 436.383 5.809 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 4427021 UTBFDWSHCFKBAQ-UHFFFAOYSA-N 440.465 6.508 0 40 IKAB Cc1n[nH]c(O)c1[C@H](c1cccc(OCc2cccc3ccccc23)c1)c1c(O)n[nH]c1C 6300074 LRHVKXQKIFHXNT-UHFFFAOYSA-N 440.503 5.073 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1C 8383515 WRJWGUULCHVUGI-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB Cc1ccc(C(=O)N(c2ccc3oc4c(c3c2)CCCC4)S(=O)(=O)c2ccccc2)cc1 8439115 VEEJLNCSJTYYEH-UHFFFAOYSA-N 445.540 5.656 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)c2c(-c3cccc4ccccc34)nn(C(=O)/C=C/c3ccccc3)c21 8442250 HDZWLZAXCRWLFQ-WZRNGGFPSA-N 434.583 7.694 0 40 IKAB Cc1cccc(CNC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 8609934 VOHAEUTVRIBBQY-UHFFFAOYSA-N 429.523 6.202 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1)c1ccco1 8733801 LOJGXEUGQOVRRM-OAQYLSRUSA-N 434.542 5.443 0 40 IKAB CC(=O)[C@@H](Sc1nnc(COc2ccccc2F)n1-c1ccccc1)c1ccccc1 8745765 FYJVMTXWNGOQHJ-HSZRJFAPSA-N 433.508 5.408 0 40 IKAB COc1ccccc1/N=c1/scc(-c2ccccc2)n1CCc1c[nH]c2ccccc12 8771392 YAEMOGBIMMHUFY-BYCLXTJYSA-N 425.557 6.182 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(C3CC3)n2-c2ccccc2)cs1 8902124 QWCIVRILHCUYPZ-UHFFFAOYSA-N 447.589 5.578 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)COc3cc(Cl)c(Cl)cc3Cl)n2)c1 9095340 SAPTUHAUSDSXRS-UHFFFAOYSA-N 440.714 5.043 0 40 IKAB CN(C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)C1CCCCC1 9127530 DZNCYQMFYZILTI-UHFFFAOYSA-N 434.005 5.048 0 40 IKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 9142316 ITSHFSZFOIJIHC-UHFFFAOYSA-N 449.757 5.391 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(CSc2nccn2-c2cccc(F)c2)cs1 9350334 LGDBHBVCHUBVLV-UHFFFAOYSA-N 438.553 5.250 0 40 IKAB Cc1oc2cc(O[C@@H](C)C(=O)N3CCc4ccccc43)ccc2c(=O)c1-c1ccccc1 9366032 BRMPIOGPJVPCJF-SFHVURJKSA-N 425.484 5.125 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN3CCC[C@@H]3c3ccc4c(c3)OCCO4)cc2)cc1 9464967 ZUBNXYQNHYIIDE-XMMPIXPASA-N 444.531 5.056 0 40 IKAB CCCCSc1nc2c(c(=O)[nH]1)[C@H](c1ccc(C(C)C)cc1)C(C(=O)OCC)=C(C)N2 9569611 YBTNUJJHEYPTPH-LJQANCHMSA-N 441.597 5.180 0 40 IKAB Cc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2Cc2ccco2)c1 9595297 ARJDOXHRPMDYRK-UHFFFAOYSA-N 428.517 5.842 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 9599163 NPFFHDWXLUUYBF-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB Cc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)Nc2ccc(F)c(Cl)c2)cc1 9599354 ABQHANZKMVXUOC-UHFFFAOYSA-N 443.975 6.021 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 9659764 NNYUXOFVOGVGGP-UHFFFAOYSA-N 431.488 5.018 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccnc2)cc1 10039863 CGQUEOSZFQMSCF-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(C(F)(F)F)c4)n3)oc12 10749684 BIFORPFVSFPEOA-UHFFFAOYSA-N 432.423 6.226 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 12285303 TUTOPTQYNXNIAI-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)c(F)c1)c1c(c3ccccc3oc1=O)N2 12561730 XBDODGGADIVWOW-JOCHJYFZSA-N 441.437 5.803 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12600519 GZYVZMWMBUTUMQ-ZDXGLAPJSA-N 431.356 5.308 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)N(Cc2ccccc2)C(=O)C(C)(C)O3)cc1 12875771 JFQDBLMAAQLBLX-UHFFFAOYSA-N 428.532 5.767 0 40 IKAB COc1cc(/C=C/C(=O)N2CCN(c3cccc(C)c3C)CC2)cc(Cl)c1OC(C)C 13039501 YEPRYOVYNJECJV-MDZDMXLPSA-N 442.987 5.115 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2cc(C)ccc2C)c1C 13388570 KHPJJTZHWVEELD-UHFFFAOYSA-N 428.554 5.231 0 40 IKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1cccs1 13630136 UFCFTXUIHAPUNW-UHFFFAOYSA-N 427.481 6.009 0 40 IKAB biogenic CC(=O)Nc1ccc(N2C(C(C)=O)=NN(c3ccc(C)cc3)[C@@H]2c2sccc2C)cc1 13943023 MXTOZMICWYENAR-XMMPIXPASA-N 432.549 5.251 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 14404821 WGWQKNHVHHQQEK-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1 14604151 KLWIERYUSXMBKF-IBGZPJMESA-N 448.375 5.247 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNC[C@H]2CCCO2)c(Cl)c1 16384991 LWFLRASSQRNJQX-QGZVFWFLSA-N 445.184 5.604 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 17095281 OCLOJSLNHQLVCR-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB O=C(c1ccc2ccccc2n1)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C12CCCCC2 19371723 MQXBJQJRMDKEKU-RPWUZVMVSA-N 425.576 5.142 0 40 IKAB c1ccc(COc2cccc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2)cc1 19823050 ADJQGUADZOMXAH-UHFFFAOYSA-N 448.610 6.173 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)[C@H]1CC=C(CCC=C(C)C)CC1)N(C)CC3)OCO2 20111708 VCYLUWWVUJRDTH-PZJWPPBQSA-N 425.569 5.385 0 40 IKAB biogenic O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140361 ONXJCNRWPNVSSU-UHFFFAOYSA-N 428.630 5.996 0 40 IKAB O=C(c1ccccc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCCCC2 20152258 MSBYPHNTDSZWBS-UHFFFAOYSA-N 441.394 5.772 0 40 IKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 20412109 XZZVAPXKMJXUGO-UHFFFAOYSA-N 429.516 6.007 0 40 IKAB Cc1ccc(CSCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20455415 NLCDZLUKJXYFMY-UHFFFAOYSA-N 446.616 6.417 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)c1 27792565 MTYPGQAPGCNVFV-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CCc1cc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C(F)(F)F)oc2cc1OC(C)C 28629459 QZWOIRDMSIHEID-UHFFFAOYSA-N 438.398 5.516 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccco4)ccc3o2)cc1Br 32115807 YQPLNGVXQGVWHG-RMKNXTFCSA-N 439.265 5.511 0 40 IKAB C[C@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(C2CCCCC2)[C@@H]1c1ccccc1 35930590 BPODYCZWRPAIBO-NPHRAETBSA-N 437.627 7.295 0 40 IKAB CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 36352227 OPMFUKIIEZRFFM-OZXSUGGESA-N 430.504 5.345 0 40 IKAB COc1cc(C(=O)Nc2ccc3nc(-c4ccccc4)cc(OC)c3c2)cc(OC)c1OC 38652170 OZYKESXVJZLZEQ-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB COc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1-n1cnnc1 45920726 JUPBCRIIFNEXKU-UHFFFAOYSA-N 447.292 5.514 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c1 57315594 AKELBKWBFDYPED-JLHYYAGUSA-N 434.495 7.024 0 40 IKAB Cc1cccc(C)c1-n1nnnc1[C@H](NCc1ccco1)c1ccc(Cl)cc1Cl 71405255 MTODPSRLZOQMPW-LJQANCHMSA-N 428.323 5.058 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)cc1Cl 72228730 SOUCAKGONJYIPQ-UHFFFAOYSA-N 440.956 5.630 0 40 IKAB BrC1=C(c2ccccc2)[C@H]2CCCC[C@H]2[C@@]1(Br)c1ccccc1 104136143 BPNRCGIFCBGTDU-UEXGIBASSA-N 432.199 6.903 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 104749348 ZQKWKTTTZPVRJY-QTDGGUCWSA-N 436.621 5.589 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 222556306 CPYUOIAAANIDMX-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 222743899 HPHSIXFSPHPEOR-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222929405 MJABMICAEKMKQN-VWLOTQADSA-N 436.640 5.291 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(Cl)cc4Cl)ccc32)c1 223083460 ACBFNBFVEGHTQR-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223118451 BRQBSLQWGIEFDY-VWLOTQADSA-N 438.999 5.307 0 40 IKAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420961 SPQQYPKTEAEXBO-SANMLTNESA-N 448.994 5.425 0 40 IKAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 224094825 BTGDNVZHBAUPSM-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1ccccc1C 224098960 OEBBQPHVSASCRD-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccnc1 224157214 KMYSJEWFXNWSCX-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)c1 224227777 IWTGMFFZQPTXLW-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224294561 PEMQDHFRHOXXBI-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc2ccccc12 224304162 GEAVEZHXXGSDQD-UHFFFAOYSA-N 429.541 6.402 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 224518245 MAOPFXJXSPSMMK-JOCHJYFZSA-N 447.044 5.153 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224518795 MXHBEFGBTRABKV-QFIPXVFZSA-N 447.044 5.402 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224625052 XFFCHVURMWNVBO-ZEQRLZLVSA-N 427.529 5.952 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224954023 ATEAVMSPUMLTBK-UHFFFAOYSA-N 447.332 6.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225015033 MVQWYPYRJLVNNO-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225094673 JZECIIKGMPMVAN-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 225673800 NKIKHIBHVKLAMT-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ccccc12 225845394 YXTAHQSTCWRRQV-UHFFFAOYSA-N 427.629 7.071 0 40 IKAB CN1CCCc2cc(C(=O)N3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)ccc21 257226844 FMKOAZSEXWPBCL-DEOSSOPVSA-N 443.566 5.214 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@@H](c2ccc(Cc3cccc(C)c3)cn2)C1 257277797 NZKHDTLEEMVUKD-RUZDIDTESA-N 428.576 5.328 0 40 IKAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 408527370 DIZJJMNWRGIXHM-HIXWQLQUSA-N 447.597 5.365 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c(C)c1 408546089 CDPGQMATJGUONQ-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)Sc1nc2ccccc2o1 408634762 UCHMCNNJIDEPMX-WQRHYEAKSA-N 442.290 6.068 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@H]2C1 408689348 YORNNFQWTNITGE-SJORKVTESA-N 429.303 5.091 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 408696022 VDVATWNZDBXNDU-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CC1(C)CC(=O)c2c(nc3c(c2-c2ccc(Br)cc2)[C@@H](O)c2ccccc2-3)C1 408980172 DZKZASDUSDVSSV-QHCPKHFHSA-N 434.333 5.728 0 40 IKAB CCCc1sc2nc(SCc3cccc(C)c3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409116819 MTLSGVCEHIZXFT-UHFFFAOYSA-N 448.657 6.871 0 40 IKAB COCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3Cl)c3ccccc23)C1=O 409136472 UTLYIPHFYSAGIT-FYJGNVAPSA-N 440.952 5.334 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3cccc(F)c3)C2=O)c2ccccc21 409230284 CXLBMUIWUWIRDG-KEBDBYFISA-N 437.496 5.036 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc1)c1ccccc1 841491 IQVXIZXJOPQJSD-UHFFFAOYSA-N 433.467 5.999 0 40 IKAB CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc2ccccc12 886962 HXJCESHJXFAOMI-UHFFFAOYSA-N 431.565 5.103 0 40 IKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)COc3cccc(C)c3)n2)cc1 929172 HOZZEPQKDCTHRW-UHFFFAOYSA-N 434.517 5.332 0 40 IKAB CC(=O)O[C@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@@H](c2ccc(C)cc2)C1(C)C 1075115 VFYZBKMASOPBDO-GOTSBHOMSA-N 428.960 5.282 0 40 IKAB COc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3cccc(C)c3)c(=O)[nH]c2c1 1224681 IOZKPIFRVHWRNZ-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 1359307 BSYRBQAUSJDZAV-UHFFFAOYSA-N 434.393 5.306 0 40 IKAB Cc1cccc(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc2cccnc2)c1 1360798 DVGICNWAJYLCBK-UHFFFAOYSA-N 429.593 5.325 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccc(F)c(F)c4)n3)cc2C[C@@H]1C 1366710 MDQKEDAYPVGPAH-LBPRGKRZSA-N 427.476 5.028 0 40 IKAB FC(F)(F)c1cnc(Sc2nc3nccc(-c4ccc(Cl)cc4)n3n2)c(Cl)c1 1393128 JLLFVMCZYYQSHT-UHFFFAOYSA-N 442.253 5.663 0 40 IKAB C[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 1441075 GTNLCMPDTPMAER-GHPJVDHGSA-N 432.475 5.615 0 40 IKAB COc1ccccc1OCCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1828048 JNSXUBODVGXQFV-UHFFFAOYSA-N 448.950 5.975 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4cc(F)c(F)cc4Cl)OC3=O)cc2)cc1 2061008 NBNYTEQUIPTQST-YVNNLAQVSA-N 439.845 5.850 0 40 IKAB Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)cc1 2256422 MKSWMGUHNHCBKI-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB Nc1c(C(=O)NCCC2=CCCCC2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 2290696 DVSZEDKMNXJXLW-UHFFFAOYSA-N 445.954 5.430 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2sccc2C(N)=O)cc1 2627610 OCRRNFWANUQHEL-UHFFFAOYSA-N 433.558 5.127 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccccc4OC)cc2-3)cc1 2687757 LBCNCXFHJPWQNV-UHFFFAOYSA-N 439.515 5.667 0 40 IKAB O=c1c2c(nc(SCc3ccc(F)cc3)n1-c1ccc(Br)cc1)CCS2 2720042 HFUFXYRFPAPAHN-UHFFFAOYSA-N 449.370 5.075 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CSc3ccc(F)cc3)cc2)c(Cl)c1 3116615 FYKIWZDUBMPNNQ-UHFFFAOYSA-N 449.956 5.427 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc(C(F)(F)F)c1 3135904 MRKYRNTXWBMAHR-UHFFFAOYSA-N 443.425 5.919 0 40 IKAB COc1ccc(-c2cc(C(=O)Oc3ccccc3NC(C)=O)c3ccccc3n2)cc1OC 3305539 RMSAFELHJNQDEM-UHFFFAOYSA-N 442.471 5.097 0 40 IKAB FC(F)(F)c1cccc(CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 3309406 BJQHZKFIQKALIQ-UHFFFAOYSA-N 432.945 6.795 0 40 IKAB CCOc1ccc2nc(S[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)sc2c1 3446796 FTXNPDRRSXREIN-JTQLQIEISA-N 427.378 6.121 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2cccc(Br)c2)cs1 6017362 UYIMXARMASWBOV-UHFFFAOYSA-N 445.367 5.180 0 40 IKAB aggregator CCc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@H](C(C)(C)C)C3)cc1 6489877 OBKGAMJLHNSALK-FQEVSTJZSA-N 429.560 5.988 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1cc2ccccc2oc1=O 6907009 CPSFTNZKWJWHAO-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Clc1ccc([C@H]2CC(c3ccccc3Cl)=NN2c2ccc(Cl)c(Cl)c2)cc1 8398032 VAHPIWDBTQCHPA-OAQYLSRUSA-N 436.169 7.656 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)[nH]c2-c2ccccc2)cc1OC 8594657 AUBNNIQCUKUBPR-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB Brc1cccc([C@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)c1 8665359 KIGWZRWQNFEJHP-YLGSBGTBSA-N 437.381 6.111 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(C(=O)c2ccccc2)cc1 8781291 HJJBTSISINDSNN-UHFFFAOYSA-N 437.339 6.208 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)nc2c1 8831023 OLJWCAZZKYYRPD-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nc2c1 8832007 LLEXGBCVPKTSSZ-UHFFFAOYSA-N 440.930 7.479 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)cc1 8902906 FWBUZYZILWFHGG-UHFFFAOYSA-N 435.321 6.633 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)c1 9063973 DBOQHCFFVBMBKJ-UHFFFAOYSA-N 444.560 5.392 0 40 IKAB Cc1nnc2c(Nc3ccc(F)c(Cl)c3)nc3ccc(C(=O)c4ccccc4)cc3n12 9224705 CUDXHTXYLVLRFJ-UHFFFAOYSA-N 431.858 5.353 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 9518487 XNRMKDMXTRAAML-UHFFFAOYSA-N 448.862 5.248 0 40 IKAB COc1ccc(Cc2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)cc1OC 9530503 RVWYBILAZVTOCH-UHFFFAOYSA-N 442.544 5.052 0 40 IKAB CC(C)N(C(=O)CSc1nnnn1C1CCCC1)c1ccc(Nc2ccccc2)cc1 9638391 IKFOAYHGCBKKHI-UHFFFAOYSA-N 436.585 5.066 0 40 IKAB CCOc1ccc(-c2nc(-c3ccccc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674106 WWKYLEXXBZDTOB-UHFFFAOYSA-N 433.533 5.144 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9783633 WNBCFIHAJFTWFS-OAHLLOKOSA-N 439.993 6.093 0 40 IKAB CC(=O)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1 9849962 IVCBZSULAQQMAT-UHFFFAOYSA-N 435.574 5.521 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 10215238 YJGYYWPHWQMTAU-IBGZPJMESA-N 431.517 5.427 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)c(-c2ccccc2)s/c1=N\C(=O)c1cccnc1 12319078 HNADYRSFZVRKMZ-HYOGKJQXSA-N 447.563 6.224 0 40 IKAB Clc1ccc(Sc2ncccc2-c2nnc(SCc3cccc(Cl)c3)o2)cc1 12338662 MZNIUZGGAZCOQI-UHFFFAOYSA-N 446.384 6.882 0 40 IKAB Cc1cccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c1C 12414527 OTZFDPXQLZNGEE-UHFFFAOYSA-N 435.886 5.112 0 40 IKAB CCN(C(=O)COc1ccc2c(c1)c(C(=O)OC)c(C)n2-c1ccccc1)c1ccccc1 12590752 HNKALEDDTPRPHC-UHFFFAOYSA-N 442.515 5.157 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 12640057 OOKJKTMLSBANAT-UHFFFAOYSA-N 441.622 5.823 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3cc(C)cc(C)c3)c2)cc1 12662964 NIIDGBXBQBXBAS-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic COc1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1 12780584 MORYFTWLYOVSGT-KRWDZBQOSA-N 448.548 5.023 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C(C)C)C(C)C)n2[C@H]2CCCC[C@@H]2C)cc1 12784400 XJLKUMNLQWOWAE-RXVVDRJESA-N 444.645 5.442 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)[C@H](C)NC(=O)OCc2ccccc2)cc1 12796707 DYCCAAFJGZOAMW-SFHVURJKSA-N 434.492 5.131 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccc(OC(F)(F)F)cc2)n(C2CCCC2)c1C 13109899 DWQSFHCUSZOUIO-AWEZNQCLSA-N 427.492 5.633 0 40 IKAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC(c2nc3ccccc3s2)CC1 13120705 FYRQTCKIYNYAKO-UHFFFAOYSA-N 435.574 5.352 0 40 IKAB Clc1nc2ccccc2c(-c2ccccc2)c1-c1cc(-c2ccccc2)c2ccccc2n1 13126307 DNLMYYGKANFHLL-UHFFFAOYSA-N 442.949 8.437 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(OCCC(C)C)cc2)n2c(nc3ccccc32)N1 13635049 YANDEOKPDAWITG-XMMPIXPASA-N 433.552 5.702 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(/C(Cl)=C/c3ccc(OCC(=O)O)cc3)[nH]c(=O)c12 14241460 YBUUNEBNYUQZMG-NJPLLEPOSA-N 446.956 5.082 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1nc(-c2ccc3ccccc3c2)cs1 14272475 NPRFUELEHRATPH-UHFFFAOYSA-N 442.584 7.029 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccccc2I)c2ccccc2)cc1 14577252 LOIRUFIOCZXREP-FQEVSTJZSA-N 427.285 5.119 0 40 IKAB O=C(Nc1ccc(Cc2ccccn2)cc1)C(=O)c1c(-c2ccccc2)[nH]c2ccccc12 15108511 UVFVBASUVUYPJO-UHFFFAOYSA-N 431.495 5.642 0 40 IKAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1cccc(CN2CCCC2=O)c1 15605536 HCXFRRKGTFYYHT-UHFFFAOYSA-N 443.528 5.463 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2F)cc1 16449523 HXLQCFKKGUAOJW-UHFFFAOYSA-N 432.308 5.639 0 40 IKAB COc1cccc(-c2cc(O)nc(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)c1 16840797 ZTEXQPDNWVTCGA-UHFFFAOYSA-N 439.924 5.767 0 40 IKAB Cc1cc(C)c(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c(C)c1 16994095 VDWNYIMAACXGPS-UHFFFAOYSA-N 428.945 5.547 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2c1 17103144 BUPYJIUVVASFSH-CQSZACIVSA-N 439.342 7.567 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H]1c1ccc2c(C)nn(-c3ccccn3)c2n1 19742444 YWEMIEDLZBCAGE-XMMPIXPASA-N 440.526 5.390 0 40 IKAB Cc1cc(NC(=O)CSCc2ccccc2Br)ccc1Br 20238229 QVYCMKXKFKHZIH-UHFFFAOYSA-N 429.177 5.392 0 40 IKAB COc1ccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn23)cc1 21150451 SMTLOGFMNJBPKZ-UHFFFAOYSA-N 432.833 6.129 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 23384553 DFYNGAKYMDADLG-HHHXNRCGSA-N 437.543 5.125 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Br)cc3F)n2)cc1 23395819 SWQUQNJEHVWPJY-UHFFFAOYSA-N 432.293 5.333 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 30847846 CTROHXLNSKIVIL-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 30868159 VJNXDSAEBYMOML-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)cc3Cl)nc2cc1Cl 32127210 KXIHFCITTJXRDB-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1OCc1cccnc1 32833902 LTVTUKRWSUUFHQ-UHFFFAOYSA-N 436.939 5.773 0 40 IKAB Cc1ccc(-c2ncc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)ncnc3n2)cc1 33300943 TYBRMYGJZNRICB-UHFFFAOYSA-N 435.940 5.088 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 34065270 JFSHUTJDVKUMTJ-IIMPEUIYSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro COc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)c(OC)c1 38653841 OIIPWBCWDDMFJU-UHFFFAOYSA-N 436.508 5.292 0 40 IKAB O=c1oc2ccccc2n1CN1CCC(c2nc3cc(C(F)(F)F)ccc3s2)CC1 48279440 BTVNBFUVQLWRPX-UHFFFAOYSA-N 433.455 5.060 0 40 IKAB O=C(CS[C@@H]1Nc2sc3c(c2C(=O)N1c1ccccc1)CCCC3)c1ccccc1 59514331 RLFWLQOOHSVBOQ-XMMPIXPASA-N 434.586 5.599 0 40 IKAB O=C(Nc1cccc(C2SCCCS2)c1)[C@H]1CC(c2ccc(Cl)s2)=NO1 84374365 ODBLYDLOPXMDGU-CQSZACIVSA-N 425.000 5.402 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102486230 AZJDBVZMSCDYJU-WINIVTDRSA-N 426.516 6.333 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C[C@H](c2cccc(Cl)c2)C1 102602886 SYBSIRDXDUIKFS-XDHUDOTRSA-N 426.907 6.150 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102720021 ZWMDKRHPXHNYDG-PEBXRYMYSA-N 448.475 5.019 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 106782689 RHHWKSAGGDTLRL-KQWNVCNZSA-N 433.529 5.662 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219354498 LHLQFGDTXITUPE-NRFANRHFSA-N 435.911 5.359 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)ccc1Cl 219773469 ZQBXIVQIADDGCS-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222768737 IKZZRTDULBSSHP-OAQYLSRUSA-N 436.640 5.557 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223353952 HXPUQYRFFINVLW-NRFANRHFSA-N 449.422 5.648 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223414282 YNTKHXUPFVRUMA-SANMLTNESA-N 448.994 5.569 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc3c(c2)CCCC3)c1 223567551 DMNLLGPWUZIPJQ-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC2CCCC2)c1 223807372 UMGMPYNUVUJMIN-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CN(c1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(=O)(=O)c1ccc(Cl)cc1 223918172 SQJRCRDCFKVULS-UHFFFAOYSA-N 437.005 5.110 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 224156080 YBJRANXZUIOLTE-XMMPIXPASA-N 438.637 5.262 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224665694 NAOOFDKVTYIBKP-JOCHJYFZSA-N 436.596 5.020 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)ccc1F 224906476 DEPNPCIAJSWEMK-BJKOFHAPSA-N 446.526 5.636 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225055339 ULTOCDGUYGKZLY-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccccc3SCc3ccccc3)ccc21 225151276 DLZFRACVHZAYOG-UHFFFAOYSA-N 434.586 6.189 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225326035 FOPIBVOQVGJVHY-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1 225526456 WIVSEGFFQSIUGU-UHFFFAOYSA-N 429.004 5.901 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 225558319 DFKNDMJOKDXPFS-NFBKMPQASA-N 426.626 5.199 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225640874 OHYZBXOCPMGJQR-KKSFZXQISA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225724202 PEUDUBHRCSQKBQ-IERDGZPVSA-N 435.395 5.258 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@@H](c4cc(-c5ccc(F)cc5)cc(C)n4)C3)nc2c1 257338819 YZBNQMAUKYRRGV-HXUWFJFHSA-N 428.511 5.172 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC(c4ccc(Cc5cccc(Cl)c5)cn4)CC3)c2c1 257340915 ZIBXDFDTLHZBAN-UHFFFAOYSA-N 444.966 5.530 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(C)cc2)cc1 408696404 BBPQBDQOKYNDIC-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 408786488 QZRFQDPPRNOUHY-GTWFGUSFSA-N 446.572 5.436 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)c2ccccc21 409112844 CGPBUZYCIOXHGT-ODLFYWEKSA-N 442.317 6.619 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 409169664 QUOWBOPHMRDBEZ-UHFFFAOYSA-N 446.576 5.402 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409266398 YKWCAJQAYMEMID-UHFFFAOYSA-N 443.374 6.494 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409355565 CVZVRMRCLRXSQX-RDPIHGLISA-N 438.549 5.156 0 40 IKAB Cc1cc(F)c(Oc2c(F)cc(C(F)(F)F)cc2F)cc1I 1504250172 BDVDMZJBJLJQHT-UHFFFAOYSA-N 432.101 5.828 0 40 IKAB Ic1ccc2c(c1)-c1ccccc1C21c2ccccc2-c2ccccc21 2113474302 PQTCKGGCBAXLBN-UHFFFAOYSA-N 442.299 6.635 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Cl)c(Cl)c1 642346 KDFXPHNHJSJQFR-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c(C)c1 664156 RJMYQCROAMPSOA-UHFFFAOYSA-N 428.989 5.602 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@@H]12 842029 KRQIILQWVUYYST-YCIYHOANSA-N 433.429 5.276 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C 1759848 FESBAMQBMONVEG-LVXARBLLSA-N 426.560 6.390 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2F)N1c1nc2ccc(F)cc2s1 2334224 WVOVVOWYZKLBPF-HXUWFJFHSA-N 446.434 5.431 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1Cc1ccco1)c1ccc(Cl)c(Cl)c1 2366793 LKMSMQNVNZLANE-UHFFFAOYSA-N 445.331 5.263 0 40 IKAB COc1ccccc1[C@H](c1c(NC(=O)c2ccccc2)sc(C)c1C)N1CCCCC1 2546482 VSYMACQIDUJEMB-XMMPIXPASA-N 434.605 6.201 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccco2)n1Cc1ccccc1 2625805 OLTHDFXSJLRDPL-UHFFFAOYSA-N 433.533 5.480 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1nc(-c2ccccc2)cs1 2649879 VIXLSWMMRJHAKI-ZDUSSCGKSA-N 439.591 5.525 0 40 IKAB CCc1c(-c2cccc(OC)c2)nn(Cc2ccc(Cl)cc2)c1-c1cccc(OC)c1 2733532 SUIHULACHACUHN-UHFFFAOYSA-N 432.951 6.498 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@H](c1ccccc1)C2 3107860 FQDCNCJOURUKNF-UKRRQHHQSA-N 442.993 5.829 0 40 IKAB Cc1ccc(C(=O)N[C@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3109648 SFWCQZXGVHPSJQ-HNNXBMFYSA-N 436.564 5.296 0 40 IKAB O=C(COC(=O)c1c(Cl)ccc(Cl)c1Cl)Nc1cc(Cl)ccc1Cl 3221123 PJFBXNMXQVLFLK-UHFFFAOYSA-N 427.498 5.749 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCC(F)(F)F)n2-c2ccccc2)cc1 3344174 CCDDEMCQPXFSTK-UHFFFAOYSA-N 448.514 5.002 0 40 IKAB C[C@]12C[C@@H](c3ccccc3)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@]2(O)c1ccccc1 5217097 RYCCTEIDFGNPEH-RACJEYCXSA-N 442.602 7.699 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCCC3)cc2c1 6300296 AICXKQWKYGXWOV-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB C(=C1\CCCC2=C1O[C@@]1(N3CCCCC3)CCCC[C@H]1[C@H]2c1ccccc1)\c1ccccc1 8399494 XHZACPFETSQKJX-BTVBQOPISA-N 439.643 7.694 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1Cl 8590488 UNLKUONVUHHQMJ-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB aggregator Cc1cn2c(=O)cc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)nc2s1 8603783 RZPHIRZGYVNPAP-UHFFFAOYSA-N 447.560 5.193 0 40 IKAB CCc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)cc1 8609135 AAYALEPKVZDTNR-UHFFFAOYSA-N 435.886 5.057 0 40 IKAB CCCCOP(=O)(OCCCC)[C@H](Nc1nnn(CCCC)n1)c1ccc(F)cc1 8691556 YPXGBVPOSFVDRO-IBGZPJMESA-N 441.488 5.550 0 40 IKAB CN1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cc(Cl)cc(Cl)c4)o2)N3)C1 8721725 SKIOCWAJIPXETG-SFHVURJKSA-N 434.348 5.157 0 40 IKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 8738585 KBVAPXSPUAFYMM-NRFANRHFSA-N 447.022 7.509 0 40 IKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 8789465 AMLCWOLXQKHUPA-LLHNEZGQSA-N 448.607 5.600 0 40 IKAB biogenic Cc1ccc(Cl)cc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8852085 SHKZXIVXYUPNJZ-UHFFFAOYSA-N 449.960 5.156 0 40 IKAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccc(F)cc1 8915142 AGOTUNVKOQBIDD-UHFFFAOYSA-N 432.432 5.502 0 40 IKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccccc1C(F)(F)F 9391684 AHPINWHQLICMOY-UHFFFAOYSA-N 440.490 6.439 0 40 IKAB Cc1ccc(C)c(NC(=O)Cc2nc(COc3ccc(F)cc3Br)cs2)c1 9463564 DHHZTUBZSQGNIH-UHFFFAOYSA-N 449.345 5.422 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 9660256 QBBZUQLFHKVAQL-QYQHSDTDSA-N 440.286 5.625 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 9667350 QRZPGJASZKCOJW-MHZLTWQESA-N 434.495 6.182 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc(OC)c1OC 10120154 RVIHPPMWMFGXKC-UHFFFAOYSA-N 432.476 5.390 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccccc3Br)o2)nc2ccc(Cl)cc12 12042417 UWIYEKPEHISGIT-UHFFFAOYSA-N 428.669 6.276 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 12160632 CIBZZCQOXBLLDK-KBAYOESNSA-N 426.527 5.113 0 40 IKAB CCNC(=O)CSc1nc(-c2ccccc2)c(NC(=O)c2cc3ccccc3o2)s1 12442970 DKOYNJIMGFRFNC-UHFFFAOYSA-N 437.546 5.037 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@@H](C)C3 12639468 MHAYEKFLTDOTMD-CYBMUJFWSA-N 437.634 6.041 0 40 IKAB FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3ccccc3)n2)cc1 13960749 RIJKAZSOCYEFSS-UHFFFAOYSA-N 442.412 6.468 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1OC(C)C 15108197 CCCUXFNLEKPNSO-INIZCTEOSA-N 437.517 5.383 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 16039416 JDQHBPWQKKQQIU-FZKQIMNGSA-N 448.589 5.029 0 40 IKAB COc1cccc(CNCc2ccc3c(c2)OCO3)c1OCc1ccc(Cl)cc1Cl 16228257 YSYTWJYPALNCND-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(-c3ccccc3)csc2c1=O 16846657 LEQWFEFZWQEVLS-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB CC(C)(C)C(=O)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19081078 LTMQFMQZSILVAS-UHFFFAOYSA-N 434.971 5.611 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373238 ABSNCVAYEUNWQF-HSZRJFAPSA-N 439.494 5.399 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19531239 JSZOOAZORDPDBN-KRWDZBQOSA-N 431.458 5.138 0 40 IKAB CO[C@@H]1CCC[C@H](C(=O)N2CCC[C@@H](Oc3nc(C(C)C)nc4sc(C)c(C)c34)C2)C1 19561602 VUOUDCPITFNXCY-IPMKNSEASA-N 445.629 5.007 0 40 IKAB Cc1ccc(Cc2ccc([C@@H]3CN(C(=O)c4ccc5nc(C)sc5c4)CCO3)nc2)cc1 19692226 KZZPTIRAOCHLNG-DEOSSOPVSA-N 443.572 5.113 0 40 IKAB Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccnc4ccccc34)n[nH]2)cc1F 19703711 FMTDBZYWPPVGMA-VWLOTQADSA-N 434.490 5.195 0 40 IKAB Cc1cc(Nc2cccc(C(F)(F)F)c2)n2nc(C34CC5CC(CC(C5)C3)C4)nc2n1 20853497 MOQCZLWWYOLHQM-UHFFFAOYSA-N 427.474 5.663 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(OC)cc1 21005745 YHNQJRHGYOZCCA-XMMPIXPASA-N 443.478 5.173 0 40 IKAB Cc1nc(-c2ccc(F)cc2)c(CC(=O)N2CCC(c3nc4ccccc4o3)CC2)s1 32967071 DFVCULYJTOOLJM-UHFFFAOYSA-N 435.524 5.348 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cc(C)ccc2C)cc1 33645936 QNYMJXGNFWHJSZ-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)n(C(C)C)c(=O)c2c1C 36636652 DNPJSQRUUWFKIJ-XJKSGUPXSA-N 441.622 5.114 0 40 IKAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(OCc2ccccc2Cl)cc1 38754656 HJLLNGKIMUECMU-UHFFFAOYSA-N 431.923 5.343 0 40 IKAB CC(=O)c1cccc(Nc2nc(-c3sc(NC(=O)c4cccs4)nc3C)cs2)c1 40556497 JPRDGEFYNGTLCN-UHFFFAOYSA-N 440.575 5.835 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1ccccc1Cl 41076877 CSWUEFQOLTXUHV-UHFFFAOYSA-N 439.943 5.286 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2Cl)cc1 44886075 MAIGXMXDFJUOBP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc2O1 44918392 NMTMLXRWZKWXKX-NRFANRHFSA-N 447.406 5.624 0 40 IKAB COC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1OCc1ccccc1 66354530 SXFFQILYKHDSIZ-FQEVSTJZSA-N 425.322 5.723 0 40 IKAB CC(=O)Nc1cc(NC(=O)c2ccccc2Oc2cccc(Br)c2)ccc1F 71972035 NLMGHGPJFCIURD-UHFFFAOYSA-N 443.272 5.591 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)cc1Cl 72229994 WIFQOPVQQZSPRN-IBGZPJMESA-N 436.722 5.989 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 72376621 ZJZRLUMPFICWKE-HSZRJFAPSA-N 449.986 5.159 0 40 IKAB CC(C)c1sc(Br)nc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 95480008 RJVJOUUPVLMFGS-UHFFFAOYSA-N 430.371 5.440 0 40 IKAB O=C(c1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1)N1CCCC1 97165870 GRWTXTUJFYEKRV-UHFFFAOYSA-N 428.923 5.930 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3cc(C)nn3-c3ccccc3)c3ccccc3C2=O)c(C)c1 103004288 XGGYSILLFKCLKS-JJIBRWJFSA-N 448.526 5.438 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccc4ccccc4c3)ccc2C)c1 222770728 LABBWMQOCUBBHX-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 223035552 RFMGDDXRJDEQTG-SFHVURJKSA-N 434.323 5.168 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCOc2cccc3ccccc23)c(Br)c1 223543259 MAMXNYQXJFISII-UHFFFAOYSA-N 442.353 5.300 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223838217 TXPZWHJDHDZSKB-DQEYMECFSA-N 446.620 5.964 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c1 223949801 ITDQWKPDSIVALO-UHFFFAOYSA-N 430.614 5.357 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224145114 KEXGEQYVBLIKDN-IBGZPJMESA-N 447.044 5.071 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)c(C)c2)cc1 224213377 WLODOEKZFOBSRJ-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1Cl 224478787 VUVLLKDOYTYIDP-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 224539266 GPUDICADHMQNPW-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB CCOc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc2ccccc2c1 224644138 NLUPDOBRFQGKQH-UHFFFAOYSA-N 425.528 6.090 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225055495 XKQDFRZCMZHSLJ-OALUTQOASA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225091956 OIBLFVQJSDCJKU-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225282713 FVRIBBNVBPNXPS-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1 225545167 VRGJERFLODJTND-NRFANRHFSA-N 438.587 5.920 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)cc1Cl 225687909 SGUMKVNAIPXKAX-SFHVURJKSA-N 448.972 5.114 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)C1 225763416 HURFJMISNISYQY-KRWDZBQOSA-N 438.622 5.315 0 40 IKAB CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@]12C 253623358 MJVCJGGOYKSADY-QHLQNQHSSA-N 430.673 5.640 0 40 IKAB biogenic CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1 257327463 XBLLARWDERKNQG-FQEVSTJZSA-N 446.526 5.251 0 40 IKAB Cc1nnc(S/C(=C\c2cn(Cc3cccc(Cl)c3)c3ccccc23)C(=O)O)o1 408632071 LEGBTBJQOLUPCN-GRSHGNNSSA-N 425.897 5.252 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(F)cc2)cc1 408699440 UGNGHKLDZGCWFS-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408923333 WAQUSOTWIORJFO-HNNXBMFYSA-N 446.981 5.260 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408979441 QPDIQBZECQFCEU-UHFFFAOYSA-N 447.498 5.405 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(CC)cc1 409120271 UVRYRKCLCPPEHD-UHFFFAOYSA-N 427.180 6.175 0 40 IKAB COc1ccccc1OCCn1cc(/C=C2\SC(=O)N(C(C)C)C2=O)c2ccccc21 409130473 HQROKUZUVHYMJD-HMAPJEAMSA-N 436.533 5.174 0 40 IKAB Cc1ccc(CSCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 409183374 BPYHZUHCCZSORT-UHFFFAOYSA-N 430.617 5.162 0 40 IKAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2cc(C(C)C)c(OCC)cc2C)C1=O 409201800 OCNYZNUGXWYGLQ-STZFKDTASA-N 446.613 5.202 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1Cl 409407490 GFYKESPRFJMJOR-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@H](c2ccccc2Cl)S(=O)(=O)CC1 575616900 LCABCRYUBQSLSG-OAQYLSRUSA-N 445.993 5.071 0 40 IKAB COc1cccc(CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@H]2C(=O)O)c1 585264827 PLENSTZBNCTKRD-FCIYXJNOSA-N 430.928 5.299 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc1Br 666632 YKDPXECHGDEUGS-KPKJPENVSA-N 449.304 5.918 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(-n2cnnc2)ccc1Cl 679788 BZSIWTMWAZIWSX-UHFFFAOYSA-N 431.908 5.450 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2oc(-c3ccc4ccccc4c3)nc2c1 724522 BMQNCWCPVXQHCX-UHFFFAOYSA-N 428.875 6.319 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1 919455 SLQZYQKTKIYSIX-QFBILLFUSA-N 447.461 5.235 0 40 IKAB CSc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 1098126 KMROETHMNLXCMM-NRFANRHFSA-N 442.606 5.354 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CC[C@@H](c1ccccc1)C2 2088171 SEXPHVUDCIXOLT-LJQANCHMSA-N 449.572 5.847 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccn2)cc1 2324829 PSCRUPKMEDWOEX-UHFFFAOYSA-N 437.366 5.693 0 40 IKAB Clc1ccc(-c2csc3ncnc(SCc4c(Cl)cccc4Cl)c23)cc1 2409524 CBEIKQAPBZKRIG-UHFFFAOYSA-N 437.804 7.611 0 40 IKAB Cc1c(OCc2c(Cl)cccc2Cl)c(=O)ccn1Cc1ccc(Cl)c(Cl)c1 3128600 COQTVGRFCBODQL-UHFFFAOYSA-N 443.157 6.398 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)/C=C/c2cccc(F)c2)cc1 3254501 AUTYSBPLCFSOEA-LFIBNONCSA-N 432.495 5.567 0 40 IKAB COc1cccc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC 3286270 JBPVNNBLYVIGOB-WQJNHMDYSA-N 447.487 5.080 0 40 IKAB O=C(c1sc2cc(Cl)cc(Cl)c2c1Cl)N1CCN(c2ccccn2)CC1 3299454 OTISBNGPPUVBMJ-UHFFFAOYSA-N 426.756 5.219 0 40 IKAB Cc1cccc(-n2nnnc2S[C@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c1 3368984 JWXLPKRTDUKMLK-QHCPKHFHSA-N 425.517 5.168 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 3433235 SRYSNQHMBMFRHY-OMHSXHNCSA-N 443.978 5.849 0 40 IKAB CCOC(=O)c1c(Nc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 3953672 RSUVJXMLKQOTQU-UHFFFAOYSA-N 425.488 5.740 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 4735782 DSYFTFPCOMTHDI-SFHVURJKSA-N 425.594 6.392 0 40 IKAB CCOC(C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C)(c1ccccc1)c1ccccc1 8012815 VYTJOCRXZMGGAZ-XMMPIXPASA-N 427.548 5.357 0 40 IKAB CCCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 8845262 HYASTTGXIYIRSZ-RUZDIDTESA-N 443.503 5.218 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3c(C)cc(C)cc3C)ccc2Oc2ccccc21 8961110 KRTJDTWTUQYRFH-UHFFFAOYSA-N 436.533 5.185 0 40 IKAB Cc1cc2oc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)cc(=O)c2cc1C 9194777 GTQWTKMPVIXAMQ-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccc(Cl)cc1 9250405 LXMQRXRCFZGSIY-UHFFFAOYSA-N 440.952 5.278 0 40 IKAB Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 9339114 PDSVGQUIOKMEAN-SANMLTNESA-N 439.515 5.637 0 40 IKAB O=C(/C=C/c1cccs1)Nc1cccc2c(NC(=O)/C=C/c3cccs3)cccc12 9367220 DPBJFHGOEBDBFD-PHEQNACWSA-N 430.554 6.267 0 40 IKAB COc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 9500509 QMQJHVVUCGGWPF-AWEZNQCLSA-N 443.956 5.218 0 40 IKAB COc1ccc2c(C)c(CCC(=O)N[C@H](c3ccccc3)c3ccc(C)cc3)c(=O)oc2c1 9513840 ZHENNQKNDIKRSV-HHHXNRCGSA-N 441.527 5.257 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(CCc3cccs3)c2C)o1 9580458 XHYPQDNBIIQUOY-UHFFFAOYSA-N 427.551 5.336 0 40 IKAB CCOc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1O 9766296 PJIYDHRWGZLUPX-FVNWOWOISA-N 428.941 5.431 0 40 IKAB CC(C)c1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 10217287 KVAFTUPMWQKTSB-GOSISDBHSA-N 443.576 5.572 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccccc1SCc1ccccc1 10371410 DGYHBCQOSWSKNB-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3cccs3)on2)cc(OC)c1OC 12185570 BIFYDAYSBLKHSA-GOSISDBHSA-N 428.554 5.546 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3Cl)n2Cc2ccccc2)c1 12496313 AQWUVYRIQQJZOV-UHFFFAOYSA-N 448.979 5.686 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 12601056 LNAQAWGSEDGDOW-OAQYLSRUSA-N 443.616 5.509 0 40 IKAB S=c1n(CN2CCC(Cc3ccccc3)CC2)nc(-c2ccncc2)n1Cc1ccco1 12762503 HPTCFDBSORNGGL-UHFFFAOYSA-N 445.592 5.030 0 40 IKAB Cc1ccc2[nH]c(SCC(=O)Nc3ccccc3Sc3ccc(Cl)cc3)nc2c1 13141852 AJKWNNWJNQVDLO-UHFFFAOYSA-N 439.993 6.407 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccccn1)c1ccc(F)cc1 13502136 QXPNDBGICCLKKO-DEOSSOPVSA-N 449.501 5.197 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685424 PFKZRXQFLSBBLW-FQEVSTJZSA-N 438.527 5.218 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1Cl 13804961 DJQCAJUSZYXIIQ-UHFFFAOYSA-N 444.988 5.172 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)C(C)(C)C)cc3n2)cc1 13880568 LMULLJMHISXWCU-UHFFFAOYSA-N 444.004 5.276 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 14272607 VVQMCYVCJSUKJH-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB Cc1nn2c(c1-c1ccc(Br)cc1)N=C(c1ccco1)C[C@H]2c1ccccn1 14607641 UEFXNWNNHCSXIY-IBGZPJMESA-N 433.309 5.723 0 40 IKAB Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c23)CC[C@H](C)C4)c1 15554644 IVIQOFSNMZWABH-KRWDZBQOSA-N 447.625 6.467 0 40 IKAB CC1(C)[C@H](C=C(Br)Br)[C@@H]1C(=O)Oc1cccc2cccnc12 16577181 RTTRUPRDIFRKIG-BXUZGUMPSA-N 425.120 5.044 0 40 IKAB COc1ccc(-c2cc(OC(=O)/C=C/c3ccc(Cl)cc3)cc3sc(=O)oc23)cc1 16699759 WXPOSZHTAMBBPG-NYYWCZLTSA-N 438.888 5.802 0 40 IKAB COc1cc(OC)c(NC(=O)CSc2ncc(-c3cccc(Cl)c3)o2)cc1Cl 16841052 HPNFZAGVCOFNNT-UHFFFAOYSA-N 439.320 5.396 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c1Cl 17095500 XEBIJNXBYDJGGP-UHFFFAOYSA-N 427.542 6.588 0 40 IKAB O=C(Nc1nc(-c2cccc3ccccc23)cs1)c1cccc(OCc2ccccc2)c1 17100466 UDRKXUZBRCIKKJ-UHFFFAOYSA-N 436.536 6.795 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c1 17264022 XRCSKUMFSBASQD-UHFFFAOYSA-N 430.426 5.293 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@H]3CC=CCC3)C1)N2 19083943 FPCRSUUEJYLAIR-MJQMVNBJSA-N 438.538 5.063 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3[C@@H]3CCSC3)nn21 19343869 QUDLRRSRMZPSRT-DUFGSWQCSA-N 428.549 5.247 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(Cl)cc2Cl)cc1 20744348 SQXNVNYBFUXNMH-QGZVFWFLSA-N 431.279 5.037 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCCC2)c(F)c1 21576402 HYTIJEUZIZUPCU-UHFFFAOYSA-N 435.337 5.375 0 40 IKAB C[C@H](NC(=S)NC(=O)/C=C/c1ccc(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 21595557 VSJPKMFURJMJSP-JSZPEKOOSA-N 434.605 5.555 0 40 IKAB O=C1CN(C(=O)c2cccc(Cl)c2)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047970 BGMZBUOCBSEQBL-OAQYLSRUSA-N 429.278 5.316 0 40 IKAB COc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(C)c2)cc1Cl 28535299 GANVSFTYBYGPMQ-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)OCC(=O)Nc1c(Cl)cccc1Cl 32777442 JZVGXWKTFZLLIK-UHFFFAOYSA-N 427.334 5.282 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2C)c1 33717971 YDOCMCWKCKQJCT-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB C[C@H]1OC(=O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 34226592 UYYLYVBSUPHXSX-PFTFKKIYSA-N 442.728 8.184 0 40 IKAB biogenic,in-vitro COC(=O)CN[C@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 34694958 ZTRBXDQAJTZOCQ-JOCHJYFZSA-N 443.330 5.098 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccccc2Cl)CC1 39772811 VNQUSPUNAZIOGV-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(OCc2ccccc2)cc1 44842245 OYDPZRIUGSDAGI-UHFFFAOYSA-N 432.372 6.444 0 40 IKAB Cc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)cc1 57486949 FEXQHBGEQTWJST-UHFFFAOYSA-N 442.397 5.051 0 40 IKAB COc1cc(/C=C(/CCCC(=O)O)c2nc3ccccc3s2)cc(Br)c1O 57645311 MXMOXUITTVODCP-LCYFTJDESA-N 448.338 5.569 0 40 IKAB CCCCc1noc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)n1 69878166 IIMDWKMCAYIFPP-JOCHJYFZSA-N 439.604 5.101 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3cccnc3)n2)c1 72391343 JIXFOSGEDHHUMR-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB O=C1S/C(=C\c2coc3ccccc3c2=O)C(=O)N1Cc1ccc(Cl)cc1Cl 106698698 WUEWCXHURBKPJU-IDUWFGFVSA-N 432.284 5.336 0 40 IKAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1Cl 109017790 DOPUTYUOLUBKEE-ZZXKWVIFSA-N 446.124 5.831 0 40 IKAB COC(=O)[C@H](C)OC(=O)[C@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118075410 LYUKJPSMOGBDCO-QWRGUYRKSA-N 447.698 5.311 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC 215121436 SHEIUDNVNASAAW-YBFXNURJSA-N 435.904 5.513 0 40 IKAB COc1ccc(Cl)c(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 215739802 MHYUMCUWHRDDCK-SFQUDFHCSA-N 442.302 5.058 0 40 IKAB CCc1ccc(OCC(=O)NCCSCc2ccc(Cl)cc2)c(Br)c1 218860254 KAVJEYUFMSQVJE-UHFFFAOYSA-N 442.806 5.093 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 222488125 CJKZXJUNTPAXHQ-JPYJTQIMSA-N 445.003 5.003 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 223457124 PBPKKHBZERIYGH-BJKOFHAPSA-N 431.609 5.183 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223511715 KZLYTWXYCMNPIG-DHIUTWEWSA-N 430.508 5.048 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224161254 IDXBVXHTOYFWCD-BJKOFHAPSA-N 443.597 6.311 0 40 IKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n(-c2ccccc2)c1C 224187248 GMTULSXEGIPRFC-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224232684 FUFDYDIVUKMSNJ-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224309098 RXWVDSSXPHWJNV-UHFFFAOYSA-N 436.577 5.252 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Br)s1 224420367 NTHDFYVWSPKIML-IRXDYDNUSA-N 434.359 5.222 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cc(C)cc(C)c1C 224611426 YEBWRURWLPAXHF-UHFFFAOYSA-N 433.548 6.241 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1CSc1ccc(Cl)cc1 224678572 BBOSMYPFRPKGGI-UHFFFAOYSA-N 441.980 5.970 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225248797 LIHWCZIOLZQRHU-XMMPIXPASA-N 443.031 5.730 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)N[C@H]3CCCc4ccccc43)c2)cc1 225461492 KWDWATCHACZZQC-VWLOTQADSA-N 442.628 6.579 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225615393 UYFPFOCGIVIFNY-AVRDEDQJSA-N 447.044 5.295 0 40 IKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(OC)c3ncccc23)cc1OCC 225752552 PQVPBSAJRJUYPT-HNNXBMFYSA-N 425.554 5.088 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)C(F)(F)F)cc(C)c3o2)cc1Br 226272141 MWCFLVCBNNABRH-UHFFFAOYSA-N 429.192 5.075 0 40 IKAB CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@@H]3[C@@H]2c2ccccc2)S1 229727593 ICBJIYNFSJGZBD-GFQNRGHUSA-N 444.600 6.193 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC2CCCC2)CC1 257235155 GWROHTJRDFOFJI-UHFFFAOYSA-N 447.623 5.005 0 40 IKAB CCOc1ccc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1Br 260769292 LIZZUQIHXPNSLI-ZOCIIQOWSA-N 432.387 5.222 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)cc1C 408695396 QJQOQIXGXAPJOJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(Cl)cc2)c1 408699989 YBKXYTVJSRLWAL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB c1ccc(CCNc2ncnc3c2sc2nc(-c4ccco4)c4c(c23)CCCC4)cc1 658248 NBGPVIPAPWMZBG-UHFFFAOYSA-N 426.545 6.033 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1 664112 FOARJQFONBSWTP-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 1097412 WZWDCZHDVJFWKG-ZROIWOOFSA-N 439.967 5.152 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cc2ccc(OC)cc2nc1Cl 1254972 IIQUPFUDMGJWFL-FQEVSTJZSA-N 428.319 5.638 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2nc3ccccc3c(=O)[nH]2)Cc2cccs2)cc1 1359912 BJGKUDZNDHVTIV-UHFFFAOYSA-N 431.561 5.125 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)C(C)C)c3)nc2c1 1851160 YQSOKVMRHRGAPR-CYBMUJFWSA-N 429.973 6.131 0 40 IKAB CCCCCCc1c(C)c2ccc(OCc3cc4c(cc3Cl)OCO4)c(C)c2oc1=O 1902818 RPIQREXADCCXBB-UHFFFAOYSA-N 442.939 6.494 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccccc1Cc1ccccc1 2644917 OJEXIQDARVELIS-UHFFFAOYSA-N 432.574 5.603 0 40 IKAB CCOC(=O)c1c(NC(=O)CCN2CCCCCC2)sc(C)c1-c1ccc(Cl)cc1 2679260 FWTBPXSWDDPCCX-UHFFFAOYSA-N 449.016 5.758 0 40 IKAB COc1ccc(C(=O)Nc2nn(Cc3ccc(Cl)c(Cl)c3)cc2Cl)c(OC)c1 2805356 IZPGVHDLRHNWNO-UHFFFAOYSA-N 440.714 5.161 0 40 IKAB O=C(N[C@@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccc(Br)cc1 2880546 BKPINNKWXDQGTF-CQSZACIVSA-N 440.527 5.126 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 3011674 UZGOJTOBRWJVAI-ICSRJNTNSA-N 444.457 5.421 0 40 IKAB O=C(CNc1ccccc1C(=O)NCc1ccccc1)Nc1ccccc1-c1ccccc1 3342069 UPIBIINEZFPBCM-UHFFFAOYSA-N 435.527 5.334 0 40 IKAB CCc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655623 DEVZCUNAJROQCI-GOSISDBHSA-N 427.500 5.941 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC3CCCCC3)cc2c1 6300516 WTZFNMMLKBPSDP-UHFFFAOYSA-N 439.650 5.416 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 8439053 QFEZCSCCPLXCFI-LJQANCHMSA-N 439.621 6.898 0 40 IKAB Cc1nc(SCC(=O)N(C)Cc2nc3ccccc3s2)n(C2CCCCC2)c1C 8720004 UECPHYSRMWHYQS-UHFFFAOYSA-N 428.627 5.366 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccccc4)o3)[C@@H](c3ccco3)C2)cc1 8824653 QYSWVOJIMRABFU-HXUWFJFHSA-N 444.516 5.108 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 8837572 PZZQAYBEEYXVLQ-JXFKEZNVSA-N 433.371 5.339 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 8861749 JXLRFHMUNLYLDL-UXBLZVDNSA-N 441.339 6.628 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 8914266 CGHBFWDEHJRTAV-GHTZIAJQSA-N 443.286 5.615 0 40 IKAB C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@]1(COC(=O)C1)O2 8952589 CVOGMLCVYFNXLE-LSCZBPMWSA-N 440.580 5.188 0 40 IKAB biogenic CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2sc3ccccc3c2Cl)CC1 8991691 XSXWAHLJSNSJMN-UHFFFAOYSA-N 448.375 5.129 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3F)oc3c(C)cccc3c2=O)cc1OC 9130277 MNTSPMBQDXLFAB-UHFFFAOYSA-N 433.435 5.177 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)sc1C 9304811 HLQGQBVVSRRRCE-SFHVURJKSA-N 440.883 5.409 0 40 IKAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cc2)cs1 9386030 NFHYCFGAVCMFHN-HXUWFJFHSA-N 435.574 5.618 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2CNCc2ccc(Cl)cc2)cc1OC 9438849 KMUBMHOMPXEISJ-UHFFFAOYSA-N 433.939 5.500 0 40 IKAB CSCC[C@H](NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1 9493700 IJXWKZRIJOQUCL-SJCJKPOMSA-N 438.380 5.248 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4o3)n2C[C@H]2CCCO2)cc1 9499134 BXTCIOXSIHNBDW-MRXNPFEDSA-N 426.929 5.211 0 40 IKAB O=C(CCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518539 ZANWTEBAVPFPCH-UHFFFAOYSA-N 442.471 5.028 0 40 IKAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3cccs3)n2-c2ccccc2)on1 9835783 NHURFVMRQIFKSV-UHFFFAOYSA-N 439.566 5.012 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3Sc3ccccc3)n2C)cc1 10264463 ZJOSIOADNZXEQU-UHFFFAOYSA-N 446.601 5.673 0 40 IKAB Cc1ccc(OCCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c(C)c1 11667333 VHYYHWBLYUGKQW-HXUWFJFHSA-N 431.536 5.596 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)oc2C)sc2c1CCCC2 12274734 KHEXYWWIMHQMRM-UHFFFAOYSA-N 429.925 5.888 0 40 IKAB Cc1ccc(OC[C@H](O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1 12561478 OOJODHAHDJENCN-QHCPKHFHSA-N 445.588 5.392 0 40 IKAB Cc1ccc(S(=O)(=O)N=[P@@](Oc2ccccc2)(c2ccc(C)o2)C(C)(C)C)cc1 12575444 VBRBFBQCBPQGPL-MUUNZHRXSA-N 431.494 5.904 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3)oc2cc1C 12651153 NVPIOIKYZZFOOE-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB Cc1cccc(-c2nnc(S[C@H](C(=O)NC3CC3)c3ccccc3)n2Cc2ccco2)c1 12695956 LAVQTGXJLWQQBL-QFIPXVFZSA-N 444.560 5.007 0 40 IKAB Cc1c(CC(=O)Nc2ccc3[nH]ccc3c2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 12893779 OZZHYKOUNSETSK-UHFFFAOYSA-N 448.478 6.177 0 40 IKAB biogenic O=C(OCc1cc(F)cc2c1OCOC2)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 12897507 BETLMHMTFGZPQJ-ZWKOTPCHSA-N 427.497 5.319 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)C1CCN(C(=O)c2ccc(F)cc2F)CC1 12945141 SHZGQPIIJOUWCB-UHFFFAOYSA-N 432.470 5.027 0 40 IKAB CCN(C(=O)[C@H](C)Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1cccc2ccccc12 12981905 FREXQXSPXGERIZ-HNNXBMFYSA-N 447.516 5.152 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)CCS3)cc1 13040893 XGZFAPCDLWCIBQ-UHFFFAOYSA-N 434.517 5.564 0 40 IKAB Cc1ccc2cc(CN(C3CCCC3)[C@@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 13498514 JCZWISKIPZMNGV-XMMPIXPASA-N 448.615 5.080 0 40 IKAB COc1ccc2[nH]cc(CCN[C@H]3CCN(Cc4ccccc4)C[C@@H]3c3ccccc3)c2c1 13563991 LFBLAPKRGFZMMM-PXJZQJOASA-N 439.603 5.367 0 40 IKAB COc1cc(C)ccc1OCCOc1ccc(C)cc1/C=C1/N=C(c2ccccc2)OC1=O 13940784 DCTCAXHMBSIWEU-OQKWZONESA-N 443.499 5.114 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 14833521 PIAGOZVKUUSZOJ-OVCLIPMQSA-N 440.952 5.410 0 40 IKAB CN(Cc1ccsc1)C(=O)COc1cc2oc(=O)cc(-c3ccccc3)c2cc1Cl 16461696 XVCCKWRAHINJQY-UHFFFAOYSA-N 439.920 5.212 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 17095924 LDSFVSLTCNWWMZ-SFHVURJKSA-N 428.532 6.643 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)ccc3o2)cc1 17097583 DFAPCUGZHQMISD-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCc1c(-c2ccc(OC)cc2)nn(-c2ccc(C)c(Cl)c2)c1-c1ccc(OC)cc1 17098259 LAWFLVKTVVOVTC-UHFFFAOYSA-N 432.951 6.748 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2Cl)cc1 17099256 DANPJRXQSAMHIK-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)Cc3ccc(-c4ccccc4)cc3)ccc21 17286765 MEGKSZCTVZBDAD-UHFFFAOYSA-N 448.588 5.027 0 40 IKAB Cn1cc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)n1 19290045 HYZINTBUMXRPSW-HXUWFJFHSA-N 429.351 5.085 0 40 IKAB CCC(=O)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 19631023 BDYUEBWPKGTQEX-UHFFFAOYSA-N 440.160 5.837 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)[C@@H]3OCCc4ccccc43)c2)cc1 19690698 FKCOCCHRXLPCSI-CLJLJLNGSA-N 428.532 5.043 0 40 IKAB CCN(C(=O)c1ccc(C)nc1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19712000 XKGWAKCPCGMBRG-LOSJGSFVSA-N 436.502 5.718 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C(C)C)C(C)C)c2ccc(C(C)C)cc2)cc1 20235323 XYBSVYFQCKCBFZ-UHFFFAOYSA-N 444.641 5.111 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCc3ccc(Br)cc3)n(C)c2=O)cc1 28538521 CWAADDAPVLENGQ-UHFFFAOYSA-N 445.386 5.097 0 40 IKAB O=C(Cc1ccc(Br)cc1)Nc1nn(Cc2ccccc2Cl)cc1Cl 32610353 PYLNIIXBNMLDBF-UHFFFAOYSA-N 439.140 5.182 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2ncn(-c3ccccc3)n2)cs1 32876431 QICQMBLEYCDQNR-UHFFFAOYSA-N 435.578 5.263 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(Br)ccc1Cl 32895251 QZCHYVGGWJKURU-UHFFFAOYSA-N 428.664 5.120 0 40 IKAB O=C(Nc1cccc(NS(=O)(=O)c2c(Cl)cc(Cl)cc2Cl)c1)c1ccco1 32926354 PWLBKDIELQPUJQ-UHFFFAOYSA-N 445.711 5.293 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1CSc1nc2ccccc2[nH]1 33000007 VGBZRLLFENMKHU-UHFFFAOYSA-N 428.561 5.708 0 40 IKAB Cc1occc1-c1nnc2sc(-c3c(C)oc(-c4cc(Cl)cc(Cl)c4)c3C)nn12 33625052 FUVJRWVXULDIQA-UHFFFAOYSA-N 445.331 6.605 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1C 33663577 MKGJACVZXQTJIB-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Cl)cc1Cl 34715642 GGGLUBNLXAMIQU-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB CCOc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2cccc(C)c2)no1 46012091 DBPJKNUNEAATMN-UHFFFAOYSA-N 429.476 5.128 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 59477602 OWHDZPRSVKHPRC-NTCAYCPXSA-N 440.886 7.060 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(F)c2)CC1 72345046 VPAPGFKETUGDTP-UHFFFAOYSA-N 445.582 5.239 0 40 IKAB CC(C)(C)c1nn(-c2ccccc2Cl)cc1CNc1ccccc1N1CCC(O)CC1 95997207 YCHUWMTULJSIAN-UHFFFAOYSA-N 439.003 5.396 0 40 IKAB CCOc1ccc(/N=c2/scc(-c3ccc(F)cc3)n2CCc2ccc(OC)cc2)cc1 102962605 RUPOLQRDVADJSF-BYCLXTJYSA-N 448.563 6.238 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12)Nc1ccc(Cl)cc1 138909888 NQHORVAUTIBWJB-UHFFFAOYSA-N 434.854 5.490 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2ccc(OCCSc3ccccc3)cc2)c2ccccc2O1 219265009 AFKVVNQWAVWFEY-HSZRJFAPSA-N 433.573 5.890 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 222988259 HGQNVCKTERXAEQ-INIZCTEOSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 223180486 HATMJGZYPBFAFB-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1C 224066052 NMOBDYZESGGPKN-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224174556 TTXTVVYCDLMCQI-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 224212387 NDJCABHTVZENIR-DNQXCXABSA-N 426.545 5.063 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(Cc2ccncc2)cc1 224257074 XFXPMJKPADGAOW-UHFFFAOYSA-N 447.332 5.606 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Br)s1 224420490 NTHDFYVWSPKIML-IAGOWNOFSA-N 434.359 5.222 0 40 IKAB O=C(NCCOc1ccccc1Cl)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224540475 ZCDJBDFCNTYLRS-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224540868 JIZLBRROJPLLDY-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225586403 RESSMLVMTMUXRR-UHFFFAOYSA-N 446.994 5.229 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H](c1ccccc1)c1ccc(C)cc1C 225628750 DMQWJCDALLRQOH-VSGBNLITSA-N 427.588 6.245 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225695423 PQJBUOQWUYHOHL-VGOFRKELSA-N 449.422 5.566 0 40 IKAB Cc1ccccc1[C@H](C)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225754367 BVHDTGHDRMILLD-IBGZPJMESA-N 430.617 6.571 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCc2nc(-c3cccc(Cl)c3)no2)ccc1Cl 225832998 HIFUAKFLPQPFPQ-UHFFFAOYSA-N 447.269 5.549 0 40 IKAB CN(C)C(=O)c1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225871372 CXWZMAVYORPHJD-UHFFFAOYSA-N 435.515 5.163 0 40 IKAB CCOC(=O)c1ccc(OCc2cccc3ccccc23)c(I)c1 226325022 ITPQVMCLHVNEFL-UHFFFAOYSA-N 432.257 5.200 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(OC)cc1 408554937 GKBXEUTZPMNJFG-UHFFFAOYSA-N 434.536 5.286 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Br)cc1 408563144 UEBFWNWYWTVVMN-FLFQWRMESA-N 447.373 5.832 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)c1 408582365 NEEBTLGWACQKIV-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3cccc(F)c3)c(Br)c2)c1 408605515 HLUMDIQXHYLWGW-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccccc2C)cc1 408724135 GCHACEULLQMIEH-UHFFFAOYSA-N 435.449 6.427 0 40 IKAB COc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OCc1ccccc1 408931267 JHJWEYBTRXXPOD-BKUYFWCQSA-N 448.906 5.021 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nc(-c2ccc(F)cc2)c(-c2ccccc2)s1 409054226 STTTXLNRJLCGCJ-UHFFFAOYSA-N 438.911 6.531 0 40 IKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccc(Cl)cc3)sc1C2 409054425 FYPYVXVXZIIUHD-UHFFFAOYSA-N 435.730 5.391 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 409063907 FDGGVQYBCHQAAU-CXUHLZMHSA-N 442.751 6.282 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(Cl)c3)nnc2-c2ccccc2)c1 409105261 KIADUQFLXSNWLY-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2cccc(Cl)c2)c(Br)c1 409119140 QXNQPKSPEQQURU-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB C[C@@H](NC(=O)CCc1nc(O)c2c3c(sc2n1)CCC3)c1ccc(-c2ccccc2)cc1 648050885 AFAJRALMJLLVGS-MRXNPFEDSA-N 443.572 5.363 0 40 IKAB COc1cccc(-c2ccc(Cn3c(C)nc4cc(NC(=O)C(C)(C)C)c(C)nc43)cc2)c1 1336313 YTTNDASUTNGROU-UHFFFAOYSA-N 442.563 5.757 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccco1)c1ccc(F)cc1 1382720 XVKLQZWADYRMOM-QFIPXVFZSA-N 440.902 5.519 0 40 IKAB COc1ccc(Nc2nc3ccccc3c3nnc(-c4ccc(Br)cc4)n23)cc1 1400149 FMTJVMPBCUXLAT-UHFFFAOYSA-N 446.308 5.459 0 40 IKAB Cc1ccc(S(=O)(=O)c2cnc(-c3ccccc3)nc2Oc2ccc(F)cc2F)cc1 1403664 HGLMYAHEVPCNAR-UHFFFAOYSA-N 438.455 5.355 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Oc1cccc(NC(=S)Nc2ccccc2)c1 1739906 PAXVVKJZZSPLOC-UHFFFAOYSA-N 432.332 6.413 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCc1ccc(F)cc1 2193279 UAOKVPRSSYPVKI-UHFFFAOYSA-N 446.474 5.820 0 40 IKAB biogenic O=C(Nc1cnn(Cc2ccccc2F)c1)c1ccc(COc2ccccc2Cl)o1 2744195 HXQICRBJVMIWPZ-UHFFFAOYSA-N 425.847 5.148 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(=O)OC)C1 2754722 VRACOSVIUYIYCK-HNNXBMFYSA-N 447.556 5.926 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCC(=O)O)sc(C)c1-c1ccc(C(C)(C)C)cc1 2758949 XTFHJPDCKRSUQO-UHFFFAOYSA-N 431.554 5.391 0 40 IKAB O=C(N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@H]1CCCO1 3164000 PDFINVHQUYHSJC-SKDRFNHKSA-N 436.550 5.007 0 40 IKAB Cc1ccc(NC(=O)NC[C@@]2(C)C[C@@H](NC(=O)Nc3ccc(C)cc3)CC(C)(C)C2)cc1 5085431 CSPTYTLNTZSUIM-NVQXNPDNSA-N 436.600 5.832 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5188374 QJUQBYMZJRWYDP-ZZTGSFGZSA-N 432.645 6.793 0 40 IKAB CC[C@@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 6101561 IYNCMIGROZPHKV-GOSISDBHSA-N 446.576 5.996 0 40 IKAB Cc1cc(C)cc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=N)NC2=O)c1 6768262 OJDGKHOAYVRRKV-RQZCQDPDSA-N 437.348 5.207 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4[C@H]5CC[C@H](C5)[C@H]4C3=O)c2)cc1 8451428 YBSMFSGQGIUPNU-XFDIAKHOSA-N 431.532 5.129 0 40 IKAB Cc1nc2ccc(OCC(C)C)cc2c(O)c1CN(Cc1ccccc1)Cc1ccccc1 8575145 JSUQZYGESSKTPJ-UHFFFAOYSA-N 440.587 6.486 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C)oc1ccccc12 8852698 KDTPATQGZJJDBW-HSZRJFAPSA-N 431.492 5.379 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 8935021 FXOXRVIAADCBDS-USXZWKKNSA-N 437.926 5.764 0 40 IKAB Cc1cc(C)cc(-c2nnc(SCC(=O)Nc3cccc(-c4csc(C)n4)c3)o2)c1 8940479 YHVRXGZLVJRPRH-UHFFFAOYSA-N 436.562 5.516 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3)nc2c1 9064979 VUQPMGDZKYRHBE-MRXNPFEDSA-N 443.572 6.444 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 9076053 PZDRLQDPUDILJD-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB COc1ccccc1CN1C(=O)CS[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 9139528 IMROWESJXAGDBF-AREMUKBSSA-N 441.556 5.322 0 40 IKAB COC(=O)c1ccc(Oc2cn[nH]c2-c2ccc(OCc3ccccc3F)cc2O)cc1 9243544 GUVURPBAGPBMPU-UHFFFAOYSA-N 434.423 5.079 0 40 IKAB COc1ccc2nc(O)c(CN(C(=O)c3cccc(Cl)c3)c3cc(C)ccc3C)cc2c1 9431098 IMHCWWQTQQCCGZ-UHFFFAOYSA-N 446.934 6.066 0 40 IKAB Cn1c(NC(=O)c2cccs2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 9433962 KUDVRWLXSDFCNW-UHFFFAOYSA-N 429.328 5.826 0 40 IKAB O=C(c1cccs1)N1CCCc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc21 9569387 KEJOVPVHAFXSID-UHFFFAOYSA-N 448.569 5.295 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C4CCN(C(=O)c5ccco5)CC4)cc3)sc2c1 9585492 NGSGPEMQOKZYLL-UHFFFAOYSA-N 445.544 5.356 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9670391 OIXNCAKFYSPJJP-QFIPXVFZSA-N 444.535 5.185 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)c1 9712386 OBZPCEQKTLYJJA-UHFFFAOYSA-N 442.949 5.273 0 40 IKAB FC(F)(F)c1ccccc1-n1c(CN2CCCCC2)nnc1SCc1ccccc1 9946403 BRARPMRNHSOUGZ-UHFFFAOYSA-N 432.515 5.564 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cncn1 9960128 JLWOSYZAPSBKMK-UHFFFAOYSA-N 435.456 5.032 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(Cl)cc1 10080380 FZXOIGYRBRGNLW-SIKLNZKXSA-N 430.932 5.014 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C)cc1 10369898 BYOQBPLNTSZYOH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 12194082 KMFYGZYUQZOHCZ-XNMGPUDCSA-N 428.532 6.116 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(OC[C@@H]3CCCO3)C2=C(N2CCCCC2)C1 12491011 FPHJHUUUCKCBSR-PKHCJMHPSA-N 443.528 5.769 0 40 IKAB COc1cccc(Nc2nn(CN(Cc3cccs3)C[C@@H]3CCCO3)c(=S)s2)c1 12557544 LSUUZBZHFUODPC-KRWDZBQOSA-N 448.639 5.126 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1sc2cc(Cl)ccc2c1Cl 12599739 KJNSHWRAMQNRCS-INWMFGNUSA-N 443.392 6.369 0 40 IKAB Cc1ccc(NC(=O)CN[C@@H](c2ccc(F)cc2)c2cccs2)c(Br)c1 12769650 PZOQRRFIIDUYII-FQEVSTJZSA-N 433.346 5.276 0 40 IKAB COc1cccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)c1OC 13019214 LOOYSVFQRAZGMG-UHFFFAOYSA-N 431.488 5.301 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1ncnc2sccc12 13108044 YDVQFHGYQBVRDT-UHFFFAOYSA-N 429.954 5.355 0 40 IKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1cccc2ccccc12 14132021 CJKMYSGHYIPVNM-YBFXNURJSA-N 440.318 5.544 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 14154551 LVGGDOBNMPZZKC-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc(C(=O)N2CCN(c3c(Cl)cccc3NC(=O)c3cccc(C)c3)CC2)cc1 14291226 RDJGMEFRYOEEKK-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 16739509 QDLFPKBOIJBZIP-UHFFFAOYSA-N 449.941 7.178 0 40 IKAB Cc1ccc(-c2cc(OC(=O)c3oc4cc(C)ccc4c3C)cc3sc(=O)oc23)cc1 16749866 WHFALYRCZPNWSW-UHFFFAOYSA-N 430.481 6.412 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19236813 ADGJBNCZRZMHMZ-NLFFAJNJSA-N 435.518 5.052 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3cccc(OC)c3)nnc2c1-c1cccc2ccccc12 20672811 VCAVCBGLEXPKIK-UHFFFAOYSA-N 437.503 5.076 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCC(c2noc3cc(F)ccc23)CC1 20729082 DQWRPJDMWDAUFN-OAQYLSRUSA-N 427.863 5.107 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(Cl)c3C)c2c1 20940153 FKFYQZWHNMGGIN-UHFFFAOYSA-N 445.950 5.523 0 40 IKAB CCc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(Cl)cc4)cc3)CC2)cc1 21124213 ZFWGLNRZIJOXGQ-UHFFFAOYSA-N 447.966 5.117 0 40 IKAB CCN1CCc2nc(NC(=O)c3sc(-c4ccco4)nc3-c3ccccc3)sc2C1 32753141 QEUVOOMYDHNYAQ-UHFFFAOYSA-N 436.562 5.157 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccc(F)cc1 32815389 KGOZMGSABWIURJ-DEOSSOPVSA-N 439.490 5.340 0 40 IKAB Cc1ccc(-c2ccc(/C=N/n3c(-c4ccccc4)nc4ccccc4c3=O)o2)cc1Cl 34702302 DQHLEPXSIRXYHC-LQKURTRISA-N 439.902 6.168 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)cc1C 36397636 FHAZQYBRHYTXFB-QHCPKHFHSA-N 438.572 5.163 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@H]4CCC[C@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40395908 JEKXOKWIBQTQDH-DOXZYTNZSA-N 435.959 5.319 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccccc2C)cc1 44086739 ZQOHUNAVJAANRP-UHFFFAOYSA-N 429.545 5.587 0 40 IKAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(Cl)c3)n2)cc1 49001798 GBYNPRDSRJWAJW-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccc2nccnc2c1 58196731 NAWGJBIOVYWOSY-QHCPKHFHSA-N 443.963 5.831 0 40 IKAB COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)c(OC)c1 64472614 XHTSFIDHSSAVQZ-UHFFFAOYSA-N 432.545 5.461 0 40 IKAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)N[C@H](C)CCc2ccc(OC(C)C)cc2)cc1 65492613 VABDKDAHNXROHK-SZPZYZBQSA-N 440.628 5.903 0 40 IKAB COc1ccc(-n2cc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 67245191 UARZSMJBGMGTGY-UHFFFAOYSA-N 441.512 5.438 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)c3ccc(=O)n(C)n3)cc2F)cc1 72285150 BUMVWHVRXIIXED-MRXNPFEDSA-N 439.556 5.027 0 40 IKAB Nc1c(Br)cc(Br)cc1-c1nc2c(Cl)ccc(Cl)c2[nH]1 73634783 VZUMTPVUBPXAEV-UHFFFAOYSA-N 435.934 5.644 0 40 IKAB O=C(Nc1ccc(-c2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100499932 LBIJPBFILQNBGT-SWIJEOLNSA-N 428.576 6.103 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)OCc5csc(-c6ccccc6)n5)(C4)C2)C3)cc1 102270757 FZTAOQMJARJZFS-QHSPCKSISA-N 443.612 6.700 0 40 IKAB CCOc1cc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)ccc1O 102576126 CCHJXOIHTGYFCU-JOCHJYFZSA-N 448.548 5.346 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC[C@H]1CCCN(c2nccs2)C1 206833059 OLCJHNMZOXOALM-LJQANCHMSA-N 439.556 5.040 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC(C)(C)C 222711121 BGGMNTSUOIYTNB-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222713655 UGDSLXONSQTTIH-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222938731 AOSTYOXDYRIJJG-NHCUHLMSSA-N 446.403 6.277 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 223462579 ZVSFSOCMZRBUOE-GOSISDBHSA-N 434.502 5.253 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224069481 CGKZOSOAPWIDGF-QHCPKHFHSA-N 429.004 5.039 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224110162 SBJDDFVGDGUWLA-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CCCc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 224250835 QYSKABONAVCCGX-UHFFFAOYSA-N 434.374 5.099 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3OC)o2)c1 224901616 JNPLKQOYHUHGMF-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224942238 CKIDIGZEDOHNFU-JOCHJYFZSA-N 447.044 5.054 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224950951 ZWDDCVQMYJFCIE-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc(OCCSc2ccccc2)cc1 224965153 ZLIULMDPRYXBLD-UHFFFAOYSA-N 432.589 6.100 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)C 225113038 XTDAMYMZYHKZIN-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225131776 DCUJXHHDTVORNW-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225245660 WKKSHJCHANLHAQ-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225282161 VLOTZOKIIQLVGH-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)c2cccnc12 225877558 YXAAOCMAWYXZIY-UHFFFAOYSA-N 431.319 5.237 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc5nc(C)sc5c4)CC3)o2)cn1 257229918 FZZRWRMJUTWRQG-QAQDUYKDSA-N 447.564 5.062 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)[C@H]2CC=CCC2)CC1 257316638 VGKLLGKQOZIQKM-QHCPKHFHSA-N 444.619 5.306 0 40 IKAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)c1ccc(Cl)cc1 257322907 WHYPUXBSRWSQAA-JCYRPKCISA-N 438.999 5.203 0 40 IKAB O=C1CS[C@H](c2cc(Cl)ccc2OCc2ccc(F)cc2)N1c1ccc(Cl)cc1 408554399 DSELQNSXZUNWDI-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB COc1cc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(OC)cc1Cl 408576087 RIHCKJAUZYGXQC-UHFFFAOYSA-N 436.939 5.168 0 40 IKAB CCOc1ccccc1/C=C(\Sc1nnc(-c2cc(Cl)ccc2OC)o1)C(=O)O 408631941 HIGFJWRIKMVRES-YVLHZVERSA-N 432.885 5.015 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(Cl)cc2)c1 408697013 DPMXBQFEFQJNPF-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)c1 408697167 FMCPXIPACYBUBJ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc2c(cc1/C=C1\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C1=O)OCO2 408800370 OOFLGWQYBVUHQA-SNDVWAGDSA-N 435.569 5.778 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 408972180 NBYGHFGTGLXOCB-UHFFFAOYSA-N 446.978 5.421 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 408976581 RQMNUXNFYKSDOA-UHFFFAOYSA-N 449.491 5.502 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)C(=O)N1C1CCCCC1 409085495 ZCEJVOSOPOXTGL-MOSHPQCFSA-N 445.346 5.798 0 40 IKAB COc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 409176576 RNBJARIAPZRHQE-UHFFFAOYSA-N 445.518 6.857 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Br)cc3)cc2)cc1 409177862 JVNQVMNSPHZDQF-UHFFFAOYSA-N 439.305 5.376 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(Cc2cccnc2)CC1 585166471 SBQWOJYKUZYIFR-UHFFFAOYSA-N 427.592 5.098 0 40 IKAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(OC)cc2)c1 606422377 SNBJZHQSMAGBSU-UHFFFAOYSA-N 441.531 5.267 0 40 IKAB COc1ccccc1C(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575736 JRCWLROZGQWXKS-UHFFFAOYSA-N 432.520 5.478 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@H](Cc4cccc5cccnc45)C3)c2C)cc1 643586864 GMGVNWOMQBOWTP-OAQYLSRUSA-N 436.555 5.924 0 40 IKAB O[C@@H](COc1ccc(Cl)cc1Cl)Cn1c(Cc2ccccc2)nc2ccccc21 948015 ODYYKZUTSNTESL-GOSISDBHSA-N 427.331 5.374 0 40 IKAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCC3 1094978 ZJESWMLNZUWIKQ-UHFFFAOYSA-N 433.964 5.618 0 40 IKAB COP(=O)(OC)O/C(=C(/OP(=O)(OC)OC)c1ccccc1)c1ccccc1 1637909 CBYHHTKCFGNNSO-ISLYRVAYSA-N 428.314 5.347 0 40 IKAB COc1ccc(Nc2nc(-c3ccc(Oc4ccccc4)cc3)c(CC(=O)O)s2)cc1 2078187 WZOZUAILTKYXLI-UHFFFAOYSA-N 432.501 5.982 0 40 IKAB CCOc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cc(C)ccc1C 2242421 MONMHWMPPIUCJG-UHFFFAOYSA-N 448.548 5.190 0 40 IKAB COc1ccc(CC(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)cc1 2253530 XUPKWMCYOHNGIJ-UHFFFAOYSA-N 449.890 5.516 0 40 IKAB Clc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c(Cl)c1 2269555 UQDBEYQFPXKQLD-UHFFFAOYSA-N 448.397 7.063 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)cc1 2409697 ZKWAXMVXDOCCIC-UHFFFAOYSA-N 440.373 5.707 0 40 IKAB biogenic CCCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2428956 BKMQODPRBHDAAZ-UHFFFAOYSA-N 430.979 7.356 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2OC(C)C)cc1 2447846 LGSSDTJERWRWIM-UHFFFAOYSA-N 444.531 5.328 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3cccc4ccccc34)n2-c2ccccc2)cc1 2451037 GYUROSHFJIAPCL-UHFFFAOYSA-N 449.623 7.677 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCc1cc(Cl)nc(Cl)c1 2567021 HHUWEULYFKFRDT-UHFFFAOYSA-N 432.090 6.016 0 40 IKAB COc1ccccc1N(Cc1c(C)noc1C)S(=O)(=O)c1ccc(Cl)c(Cl)c1 2645283 ZZTCQYKEZMHNPP-UHFFFAOYSA-N 441.336 5.002 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@H](C)CC4)c(C)n1Cc1ccco1 2647970 GQOBCCUOCQEWGN-MRXNPFEDSA-N 444.531 5.392 0 40 IKAB COc1ccc(Cn2c(SCc3ccccc3Cl)nc3ccsc3c2=O)cc1 2908648 ROTJUMVAKADVEJ-UHFFFAOYSA-N 428.966 5.461 0 40 IKAB Cc1ccc(C(NC(=O)N(Cc2ccccc2)Cc2ccccc2)=C(Cl)Cl)cc1F 3189672 WMPOJBHEQNLXGL-UHFFFAOYSA-N 443.349 6.650 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1csc2c1CC[C@@H](C)C2 3315513 KMCRAXZXQQSIBW-CQSZACIVSA-N 425.575 6.030 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3319194 UJXQHCZIPSWPOG-XMMPIXPASA-N 431.532 5.838 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)sc2c1CCCC2 3344156 HKZWNLUFBZTVSX-NSHDSACASA-N 442.364 5.516 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1Cl 8427282 PAGNGXBVGSLHCW-OAQYLSRUSA-N 429.720 6.597 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)c1 8752731 IFBAXSATOWTKLP-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C(NP(=O)(Oc1ccccc1)Oc1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 8763191 NOMABACPSDSLOC-SIKLNZKXSA-N 444.468 5.243 0 40 IKAB biogenic Cc1cc2oc(=O)c(CC(=O)NCc3cccnc3)c(C)c2c2occ(-c3ccccc3)c12 8791597 UOSCZFIREBNWML-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8915708 AWRMZJNVSNPSBT-SFHVURJKSA-N 431.923 5.267 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Oc2ccccc21 9134592 PXGVGYIXJZWHPI-UHFFFAOYSA-N 426.394 5.730 0 40 IKAB O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)N1CCCC1 9159422 MNXZUJWGYLYWOY-UHFFFAOYSA-N 446.601 5.110 0 40 IKAB Brc1ccc(OCCSc2nnc(Cc3cccs3)n2C2CC2)cc1 9255811 DIPKOPGENJEOTP-UHFFFAOYSA-N 436.400 5.199 0 40 IKAB CCCSc1nc(SCC(=O)c2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 9424457 SWVBKPGJTTURFB-UHFFFAOYSA-N 444.647 6.020 0 40 IKAB CC(=O)c1ccc(N(C(=O)CCOc2cccc(C)c2)c2nc3ccccc3s2)cc1 9498383 NTWCGKLFVCJCAL-UHFFFAOYSA-N 430.529 5.941 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2cccs2)cc1 9503347 PHCPILRFARXPOH-GOSISDBHSA-N 441.603 5.238 0 40 IKAB COc1cc(Br)cc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1c1ccc(C)c(Cl)c1 9849140 HSHUEUUUGTWZJD-KXBFYZLASA-N 437.721 5.189 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2cc3c(cc2s1)OCO3 10066881 VYOFWYYZKFXVFT-UHFFFAOYSA-N 447.560 5.167 0 40 IKAB FC(F)(F)c1ccc(CSc2ncnc3c2nnn3Cc2ccc(Cl)cc2)cc1 11758565 KXNLOWYMSLEEBL-UHFFFAOYSA-N 435.862 5.234 0 40 IKAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)[C@@H]1C 12660789 JQJAKBIMFWMGBM-KFWWJZLASA-N 428.579 5.123 0 40 IKAB O=C(COc1ccc2c(=O)c(Oc3ccc(Cl)cc3)coc2c1)N1CCc2ccccc21 13097173 MAOWRGRMCNJMAZ-UHFFFAOYSA-N 447.874 5.207 0 40 IKAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 13501158 ZQZXLQCLQKDLIS-XMMPIXPASA-N 448.615 5.224 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccccc2F)cc1 13758724 XTJHQHLJQCLRRX-UHFFFAOYSA-N 432.495 5.461 0 40 IKAB O=C(Cn1cc(-c2ccc(Cl)cc2)[n+]2c1CCC2)Nc1ccc(Oc2ccccc2)cc1 13816565 XGMJSKSWTZUMHX-UHFFFAOYSA-O 444.942 5.473 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1cc(-c2cccs2)on1 15669800 QRMVOBWQXGWYCZ-UHFFFAOYSA-N 434.955 5.453 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cc2C(=O)O)cc1 16638274 RLYCSNAXLCNVHA-UHFFFAOYSA-N 434.945 5.124 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4cc(C)ccc4C)ncnc32)c1 16757706 WNBSSVOQVOHFTN-UHFFFAOYSA-N 435.596 7.305 0 40 IKAB CCCCCCOc1ccc(/C=C/C(=O)Nc2nc(C)c(C(=O)OCC)s2)cc1OC 16995387 COWCGSRQUBFXGL-ACCUITESSA-N 446.569 5.248 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3)nc2c1 19646190 NCTGNLAWDKZSAW-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB O=C1[C@H](C2CCN(Cc3cccc4ncccc34)CC2)CC=CCN1Cc1ccc(F)cc1 19698446 JYGPVYCAGXCNCT-SANMLTNESA-N 443.566 5.191 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143644 SDSZCRGVPQFRTB-UHFFFAOYSA-N 437.451 5.465 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccccc1F 21305628 ICXXYEOSDLMRDP-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)c1ccc(F)cc1 21305634 MBQAYIARHIHBQR-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2cc1C 21578847 BLMYCQBSFKCXKH-UHFFFAOYSA-N 448.950 6.870 0 40 IKAB C[C@H](Nc1ccc(OCc2ccccc2)cc1)C(=O)Nc1ccc([N+](=O)[O-])cc1Cl 24060237 ZXAHBNBWQASPSF-HNNXBMFYSA-N 425.872 5.266 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ncc(Cc2ccccc2)s1 24749307 VOEKABCXQHWOBM-QFIPXVFZSA-N 449.620 5.425 0 40 IKAB Cc1ccc2oc(C(=O)N(Cc3cccc4ccccc34)C[C@@H]3CCCO3)cc(=O)c2c1 27990820 ICZKFEQXACNQTD-NRFANRHFSA-N 427.500 5.076 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)ccc21 30855505 IXMQWHDIOXMYSU-UHFFFAOYSA-N 441.940 5.092 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 32781525 VDZORJAONYHYQF-GBXCKJPGSA-N 434.586 5.248 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)cc1 33012945 NPXLMCMHMTYDGT-UHFFFAOYSA-N 427.460 5.079 0 40 IKAB Clc1ccc(-c2nnc(SCc3cccc4ccccc34)n2-c2ccccc2)cc1 33591297 DRYSGBKKXNKXMG-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44906387 AZZHGDJSHJHYQA-UHFFFAOYSA-N 439.814 5.608 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c(C)c1 58010893 HZWDHDKOFJCOBK-VQTJNVASSA-N 447.604 5.368 0 40 IKAB O=S(=O)(Nc1cccc(C2SCCCS2)c1)c1ccc(F)c(C(F)(F)F)c1 63911583 ZWMUUHZQGBQBIM-UHFFFAOYSA-N 437.505 5.514 0 40 IKAB CC(C)CC(=O)Nc1ccc(-c2csc([C@H]3CN(Cc4ccccc4)CCO3)n2)cc1 65553991 ABLKGEZCMPZTHA-HSZRJFAPSA-N 435.593 5.368 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214614 YSLFVJFRFFZGSA-HXUWFJFHSA-N 425.529 5.317 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 72306815 FGENXZJHVUVMMW-UHFFFAOYSA-N 447.766 6.124 0 40 IKAB COc1ccccc1-c1cccc(CC2(C(=O)NCCC3=CCCCC3)CCOCC2)c1 72344688 JBRVGUYVVPUVLY-UHFFFAOYSA-N 433.592 5.708 0 40 IKAB FC(F)(F)c1cccc(-c2cncc([C@H]3CCCN(Cc4ccc5nccnc5c4)C3)n2)c1 72359704 JUZIALNEIMTFRA-IBGZPJMESA-N 449.480 5.485 0 40 IKAB Clc1ccc(Br)cc1-c1nnc(-c2cc(Br)ccc2Cl)o1 73634426 XODVGIWNPIDOSL-UHFFFAOYSA-N 448.929 6.235 0 40 IKAB Cc1ccc(C(C)C)cc1OCCCn1c(CCNC(=O)c2ccco2)nc2ccccc21 95464588 NSGMXZWDVVESAT-UHFFFAOYSA-N 445.563 5.503 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96235939 ZUBWEBYCWRXQJR-SFHVURJKSA-N 434.323 5.168 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccc(C)cc3C)c3ccccc3C2=O)cc1 103005116 YSLGUYGGYDKIKD-XQNSMLJCSA-N 440.499 5.120 0 40 IKAB CCC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 103359876 GODSADNWHHFTCY-OFUUFJSKSA-N 439.983 5.496 0 40 IKAB C[C@@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 169683658 IRKARXPTWCTTMK-JMDODURXSA-N 425.572 6.006 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 222782473 OLFOZCVFLHHZLN-JOCHJYFZSA-N 449.422 5.566 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(N2CCCCC2)nc1 223978349 JEHZCAJFJGTBPT-UHFFFAOYSA-N 429.033 5.524 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCCCC4)nc3)CCCC2)cc1 223984381 IZLNOMTVVMQJAC-UHFFFAOYSA-N 426.605 5.400 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COc1ccccc1C 224104367 ZKMOFPXPAWXQAM-UHFFFAOYSA-N 439.511 6.627 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 224238733 LEJOXDCDWCPZFU-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CSc1cccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224271056 WLPQXORXNHRNFV-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224310135 YCCKSIQTXDSFOC-UHFFFAOYSA-N 431.919 6.011 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 225174848 UFHSYTSSRRAVJV-KRWDZBQOSA-N 444.000 5.148 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225276760 GCEFGEWJNYQHDJ-DEOSSOPVSA-N 426.576 5.215 0 40 IKAB Cc1ccc(CN(C(=O)CCCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225533067 LYFJNOYLWQUPOL-IBGZPJMESA-N 447.044 5.463 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2F)cc1Cl 225613136 PSEUFOIDIBCXSK-UHFFFAOYSA-N 440.993 5.266 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(C(=O)O)o3)c(Cl)c2)cc1 226355330 JZZXTDLULZXXGC-UHFFFAOYSA-N 442.924 5.548 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260778608 RUQXSPULNSNIPD-UHNFBRDESA-N 438.778 5.095 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cc(C)ccc2C)cc1 408630215 POMNKWKNOGUEMZ-UHFFFAOYSA-N 442.625 5.036 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1NC(=O)CC 408697247 IAQYAZSWMPZSST-UHFFFAOYSA-N 440.521 5.027 0 40 IKAB CCOc1cc(C)c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1C(C)C 408874247 ALYVPJWNGPBTAS-MTJSOVHGSA-N 429.969 6.407 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc3nc(N4C(=O)c5ccccc5C4=O)sc3c2)cc1C 409125972 NKLQBUXCXLZKKL-UHFFFAOYSA-N 442.500 5.358 0 40 IKAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c2ccccc21 409128937 PZCPQNGIQSTHIL-ODLFYWEKSA-N 440.908 5.099 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409266497 XGGZJDKWPSPGFY-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB O=S(=O)(NCCSCc1ccc(Cl)cc1Cl)c1ccc2ccccc2c1 409380936 KEOSTTMDBHWNET-UHFFFAOYSA-N 426.390 5.358 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)cc1 409381809 NPQCUDFDWXRQBK-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(C)ccc2OCC(=O)O)cc1-c1cccc(F)c1 585264425 BRTDSHDAXNZFIK-UHFFFAOYSA-N 446.478 5.185 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc(F)cc12 606181340 YFZGCGUWJNEJRH-JOCHJYFZSA-N 441.289 5.906 0 40 IKAB O=C(COc1ccccc1Cl)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037846025 LVYXHGIQFJMNRC-QGZVFWFLSA-N 445.346 5.357 0 40 IKAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1S[C@H](C)C(=O)Nc1ccc(C)cc1 976947 WKHHRZCZCZVROV-MRXNPFEDSA-N 444.004 5.300 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1cc(C)ccc1C(C)C 1312405 RVGRCAZUHGKKBL-UHFFFAOYSA-N 437.321 5.303 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1352879 CLWRRQASIHDPGE-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1c(O)c2c(n(Cc3ccccc3)c1=O)CCCC2 1840684 FHNUBYPNTHOYLN-UHFFFAOYSA-N 443.330 5.040 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cccc2ccccc12 1921900 CGTWIZSORFTVRP-UHFFFAOYSA-N 435.932 6.651 0 40 IKAB CSc1nc(SCC(=O)Nc2ccc(Cl)cc2)c2c3c(sc2n1)CCCC3 2209512 UNLMHJWIOXOXGR-UHFFFAOYSA-N 436.027 5.676 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 2317651 OJJFNEVJKZEFBD-UHFFFAOYSA-N 432.527 5.754 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(Cl)cc2)cc1 2329929 UIYFYKHKWBBNGE-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB CCCOC(=O)c1c(N)n(-c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3nc12 2410265 HKQCVLHDLWENKD-UHFFFAOYSA-N 438.487 5.515 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc4c(c3)OCO4)cc12 2661342 VIFGAQSOLFDUPZ-UHFFFAOYSA-N 425.897 5.089 0 40 IKAB CC(C)(C)C(=O)N[C@H](Oc1ccnc(SCc2ccccc2)n1)C(Cl)(Cl)Cl 2679778 UVQLQQPKSRUSRV-OAHLLOKOSA-N 448.803 5.006 0 40 IKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2702773 CIWJEOXZPPNKDV-OAQYLSRUSA-N 446.528 5.568 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3cccc(C)c3)c2c1 2722593 RHMDCNOITIXMHG-UHFFFAOYSA-N 449.645 6.297 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)Nc2ccccc2C(N)=O)c2ccccc2n1 2764436 PVVMYRIERFSIMF-UHFFFAOYSA-N 425.488 5.040 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cccc(C(F)(F)F)c3)oc12 2951399 CMTNDZJPRDLENH-XHPQRKPJSA-N 445.422 5.401 0 40 IKAB CCc1cccc(CC)c1-n1c(SCC(=O)NC)nnc1-c1ccc(Cl)cc1Cl 3313862 UXIWSFQKNFZNNZ-UHFFFAOYSA-N 449.407 5.204 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Br)cc2)cc1 3655308 JYCVNBFWTYBBRK-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1)c1ccccc1 3658654 DDDSRYKODAYXOG-SFHVURJKSA-N 425.532 7.080 0 40 IKAB c1csc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@@H](c3ccoc3)C2)c1 8443511 XSNWULPHIZDYFM-JOCHJYFZSA-N 427.554 6.974 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8755749 IVVUALNNQBCQEA-LJQANCHMSA-N 445.950 5.598 0 40 IKAB C[C@H](CCc1cn(Cc2ccccc2)c2ccccc12)NC(=O)C12CC3CC(CC(C3)C1)C2 8770246 FKZHNUPDGQUVJU-QOHRDKRTSA-N 440.631 6.343 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccc(F)cc2)n(C[C@H]2CCCO2)c1C 9060440 HXRKPYXTLYZXLZ-LJQANCHMSA-N 432.499 5.219 0 40 IKAB Cc1ccc(COc2cccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)c2)cc1 9188017 SHZPERYGDNOPLF-UHFFFAOYSA-N 437.008 5.725 0 40 IKAB Fc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@H]4c2ccccc2)cc1 9209579 RNOXJHGVLIFHKZ-HSZRJFAPSA-N 444.469 6.370 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)C[C@H](c3ccccc3)Sc3ccccc32)cc1 9345508 WAXPWDWWMMSCAW-RUZDIDTESA-N 444.600 6.238 0 40 IKAB COc1ccc([C@@H]2CC(=O)c3cnc(Nc4nc(C)c5cc(C)c(C)cc5n4)nc3C2)cc1 9345986 LIZJOTZZOXFTGC-SFHVURJKSA-N 439.519 5.010 0 40 IKAB COc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c(OC)c1 9368138 VJGGHTYWTPPRKB-UHFFFAOYSA-N 436.309 5.820 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(Cl)c1)N(Cc1cccnc1)C3=O 9429264 WOKLWTQKFNLNCA-OAQYLSRUSA-N 430.891 5.204 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)CSCc1nc2ccccc2nc1C 9515812 CJLYCTGLAALVOV-UHFFFAOYSA-N 449.498 5.618 0 40 IKAB CC(C)(C)OC(=O)N1[C@H](c2ccc(Cl)cc2)SC[C@H]1C(=O)NCc1ccccc1 9850279 YQLUPEABRRTZJK-ICSRJNTNSA-N 432.973 5.008 0 40 IKAB CCc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@H](C)C3)cc1 10701101 ZORHMDQJTRQLOQ-INIZCTEOSA-N 446.641 6.893 0 40 IKAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)c2cc(C3CCCCC3)no2)C1 12238664 MAGSRJPSERVQHP-OAQYLSRUSA-N 431.540 5.018 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(C(=O)c2ccccc2)cc1)c1nc2ccccc2s1 12342205 MLUQFNOYUNGGAM-UHFFFAOYSA-N 443.572 5.126 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@H]1CCCC[C@H]21 12372529 MAXLXFSSOLYCRP-WOVHNISZSA-N 447.531 6.003 0 40 IKAB O=C(c1cc(Cl)ccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 12621668 DGQOIOUIWZSFLE-UHFFFAOYSA-N 425.359 5.541 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc2ccccc2c1 12676916 AFUWNWNBZDRBOS-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB c1cc(CSc2nc(C3CCCC3)n[nH]2)cc(CSc2nc(C3CCCC3)n[nH]2)c1 12801377 FWWIJOQDVSCUKZ-UHFFFAOYSA-N 440.642 5.823 0 40 IKAB CCOc1cc(/C=C/C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)ccc1OCC(C)C 13073273 KFQVSXZVYMLTAZ-NBSXQYNISA-N 433.552 5.196 0 40 IKAB CN1CCC(N(Cc2ccco2)C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 13083068 WIVVZJORPARBJQ-UHFFFAOYSA-N 433.577 5.081 0 40 IKAB COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OC(=O)c1ccc(F)cc1 13607506 LZOTZMPLDZYPLE-UHFFFAOYSA-N 448.446 5.452 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 14155037 GNTRDUFWPKYVID-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc2c(c1)OCO2 14484905 KJEXSRDVMLFBTI-SFHVURJKSA-N 440.499 5.547 0 40 IKAB COc1ccc(F)cc1C(=O)COC(=O)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 14846185 VATXFCPKSCSRMV-CVEARBPZSA-N 427.497 5.144 0 40 IKAB Cc1cc(=O)oc2c(C)c(OC(=O)c3ccc(-c4cccc(C(F)(F)F)c4)o3)ccc12 16043974 VLQKZLFAGYUIGY-UHFFFAOYSA-N 428.362 5.908 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(F)cc4)cc23)cc1Cl 16841443 CDELXLWDKQPZTA-UHFFFAOYSA-N 426.904 5.228 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3o2)c1 17095479 UYMFXYAOZZXMMP-DHZHZOJOSA-N 427.529 5.638 0 40 IKAB COc1ccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)cc1 17099280 GSPRVENQLYFGCB-UHFFFAOYSA-N 434.923 5.945 0 40 IKAB Cc1cc2cccc(NC(=O)c3cc([C@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2o1 19126697 PUGQUUPLLDZIBU-IBGZPJMESA-N 435.524 5.268 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1cccc(Cl)c1 19631345 KPXHPALGVNJBRB-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB Cc1nc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1Br 19632570 ZFEHGHCJJABXGV-UHFFFAOYSA-N 440.775 5.147 0 40 IKAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20734462 XFAZBYOLRKISAC-HSZRJFAPSA-N 425.532 5.081 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288516 WXCLWUPQYFFTBC-UHFFFAOYSA-N 428.985 5.633 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Br)c(C)c3)o2)cc1C 35085425 ZZZJRVAXIMVHDG-UHFFFAOYSA-N 443.366 5.761 0 40 IKAB CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6CCCCO6)CC[C@]5(C)[C@H]4CC[C@]23C)OCCO1 35361962 DNWMPSZEZKPTQK-PSEATDOESA-N 444.656 6.240 0 40 IKAB biogenic CCOc1ccc(CN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 36802774 JEAYXCNJXPQFGM-UHFFFAOYSA-N 427.548 5.169 0 40 IKAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccc(COc2ccccc2F)o1 40133880 NIOPVNPAWMFEKX-UHFFFAOYSA-N 428.847 5.030 0 40 IKAB CC(C)NC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(F)cc1 44087190 MNXNUSVIPMZQDN-UHFFFAOYSA-N 448.361 5.058 0 40 IKAB O=C(NCc1ccc(CN2CCCC2)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 44857214 JINKYIMDBNGOOP-XIEYBQDHSA-N 430.979 5.793 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cn4ccnc4)cc3)c2)cc1 44938939 RDFSLODSWUFOBS-UHFFFAOYSA-N 437.543 5.712 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c(C)c1 57488584 SFOHBUXVXNKEFZ-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1C 67245291 PUBDFXINNDOCLC-UHFFFAOYSA-N 427.891 5.978 0 40 IKAB Cc1ccc(NC(=O)c2cc3cc(Br)ccc3o/c2=N\c2cccc(C)c2)nc1 67294730 CKTIVXRQVMKAOA-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CC1 72215317 NUXFRYUTVVJNTE-NRFANRHFSA-N 437.540 5.459 0 40 IKAB Cc1cc(-c2ccc(N)nc2)cc([C@@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)n1 72353721 MIRLLRUXELTSLC-HXUWFJFHSA-N 434.971 5.026 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 89662096 GCSKBMGZXBBUQY-UXHICEINSA-N 445.991 5.749 0 40 IKAB Cc1cnccc1-c1c[nH]nc1[C@H]1CC[C@H](CNC(=O)c2cccc(C(F)(F)F)c2)CC1 100744884 BOICJRSLPTVTEE-CALCHBBNSA-N 442.485 5.503 0 40 IKAB CC1(C)CC2=Nc3sc(C(=O)c4ccccc4)c(N)c3[C@H](c3ccc(F)cc3)C2=C(O)C1 103546956 NWGKGPICPVVJLY-LJQANCHMSA-N 446.547 6.551 0 40 IKAB O=C(O)c1cc(Br)c(OCc2cccc3ccccc23)c(Br)c1 145104332 AUSFIPDIGLFJBN-UHFFFAOYSA-N 436.099 5.642 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)[C@H]1COc2ccccc2O1 206896336 VGSYYZQKCZFYHX-JOCHJYFZSA-N 432.476 5.395 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(C)cc3)C2=O)ccc1O[C@@H](C)CC 214600221 PMDUOIBTHZOEOY-NIZGNDASSA-N 425.550 5.808 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(I)cc1 222682291 NXRIOPXZNLGSTN-UHFFFAOYSA-N 431.726 5.456 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)ccc1Cl 222843809 KRQOVEPZQVDQRV-GOSISDBHSA-N 436.939 5.027 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223194639 SCHZLCDQASDNOO-GOSISDBHSA-N 433.017 5.156 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224244989 YYIZYARQKMFRRC-IBGZPJMESA-N 447.044 5.071 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(Br)cc3)ccc2OC)c1 224252939 CAELSDSHUSOCOU-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccccc1C(C)(C)C 224507494 CCKSRJMZUSTYRY-UHFFFAOYSA-N 435.608 6.582 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1cccc2ccccc12 224641258 VDNZDXJGCZNMES-LJQANCHMSA-N 436.983 5.368 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1CSc1ccc(C)cc1 224661697 SZKXGRPRNZAJCL-UHFFFAOYSA-N 427.569 7.092 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n(-c2ccccc2)c1C 225031193 FSWOYDROUNNLSX-LOSJGSFVSA-N 430.621 5.713 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225398381 DJYCAKCAHSDDOS-HFESIUDZSA-N 429.604 6.439 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 252492767 MVSDSPVMTILXGX-UHFFFAOYSA-N 444.560 5.020 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4c(OC)cccc4OC)C3)c2)cc1 257231335 GGFWRCBXQCNVKQ-FQEVSTJZSA-N 446.547 5.103 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(OC)c4)cc(C)n3)C2)cc1 257277745 NZETXMPGTQTOMG-JOCHJYFZSA-N 445.563 5.308 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(Cl)ccc3C)n2)cc1 408695274 PDQQNLNVPQGBKE-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1Cl 408699362 TUTMPICBUIUHMX-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccncc2)cc1 409101323 BAXRDFJTNJIEAD-UHFFFAOYSA-N 438.556 6.174 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409151002 FLWJSHARYUJEHY-ZHZULCJRSA-N 438.549 5.157 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409156511 GBVBEOGMVMSDMS-UOBPLZBXSA-N 438.549 5.156 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)c(C)c1 409182538 MINMMVXFOSEKNQ-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409201345 LRQPFYOSDZFYOO-RVZJCZPVSA-N 427.522 5.005 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(Br)c3cccnc23)N1Cc1ccco1 639406918 CQQHVMYUZMNDHH-OAQYLSRUSA-N 434.293 5.357 0 40 IKAB CCOc1ccc(CN2CCOCCOc3ccc(F)cc3Cc3cccc(c3)C2)cc1 643563408 UVTFMHZJKUJWGN-UHFFFAOYSA-N 435.539 5.226 0 40 IKAB CCCCSc1nc(-c2ccccc2Cl)nc2c1Cc1c(CO)cnc(C)c1O2 1889096189 BZJZPAAQCGGRMH-UHFFFAOYSA-N 427.957 5.581 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1Br 888088 FTLKMJLLPAMPLH-BBITVKMKSA-N 444.328 5.154 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2c1CCC2 1049609 VCZKGLSKPZERBZ-UHFFFAOYSA-N 434.542 5.552 0 40 IKAB O=C(Nc1cc(C(=O)NC2CCCCC2)ccc1Cl)c1ccc(-c2ccccc2)cc1 2069713 DNKNHUXFHBDXNK-UHFFFAOYSA-N 432.951 6.322 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1cccc(OCc2ccccc2)c1 2070438 RXFXJONDMYPUEG-UFFVCSGVSA-N 425.818 5.542 0 40 IKAB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)O[C@@H](C)C(=O)c1ccccc1 2079606 DVSCMOBHVKYZFJ-KRWDZBQOSA-N 429.903 6.292 0 40 IKAB Cc1c(C(=O)COc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c2)c2ccccc2n1C 2109713 GJOBZDOUGHHJEF-UHFFFAOYSA-N 439.467 5.227 0 40 IKAB biogenic CCCCOc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 2149810 YRXOEKPCYSZKCA-UHFFFAOYSA-N 447.531 6.215 0 40 IKAB biogenic COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2342633 YUXXHDBREIDIBD-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB CC(=O)Oc1ccc2c(=O)c(Oc3ccccc3Br)c(C(F)(F)F)oc2c1 2400199 MGPJKSLPUWOBKC-UHFFFAOYSA-N 443.171 5.292 0 40 IKAB biogenic C[C@@H](OC(=O)CCC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1Cl 2617430 WOWMQSUAZYBCLC-LLVKDONJSA-N 428.699 5.180 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCC(=O)N1CCCc2ccccc21 2635946 GDOBOEBRJSEUSH-UHFFFAOYSA-N 444.556 5.202 0 40 IKAB O=c1c2c(nc(SCc3cccc(F)c3)n1-c1ccc(Br)cc1)CCS2 2720041 MSAUIGKCFKMPFZ-UHFFFAOYSA-N 449.370 5.075 0 40 IKAB CCOC(=O)c1sc(NC(=O)CSc2cc(C)c(Br)cc2C)cc1C 3229992 AGCLHEQCUYRPNM-UHFFFAOYSA-N 442.400 5.343 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(C)C3CCCCC3)nc2-c2ccc(C)cc2)cc1 3245399 IQWMMXLPQXGTBE-UHFFFAOYSA-N 446.620 5.706 0 40 IKAB C[C@H](NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3251180 QCAFDAUYEFXQLV-SFHVURJKSA-N 432.545 5.100 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc(-c4ccco4)n3-c3ccccc3)c[nH]c12 3284409 VSDDDKVITLEBBH-UHFFFAOYSA-N 428.517 5.546 0 40 IKAB CC(C)c1nc2oc3c(N4CCC(Cc5ccccc5)CC4)ncnc3c2c2c1CCC2 5427997 ZBNOCLQJXMAKRV-UHFFFAOYSA-N 426.564 5.842 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3O)oc2cc1C 8385099 URACCCURZBPSGE-UHFFFAOYSA-N 448.931 6.938 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)c(Cl)c4)nc3c2)c1 8448794 UVENLNUCIGQZGY-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(F)cc23)cc1 8605087 LQSMYSWGZZVURV-UHFFFAOYSA-N 449.503 5.063 0 40 IKAB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(Cl)cc1 8686287 XQJBWTWZQXGRTH-UHFFFAOYSA-N 431.952 5.944 0 40 IKAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 8843564 SUXJNDIGDGCWBY-UHFFFAOYSA-N 431.419 5.106 0 40 IKAB c1ccc(-c2nnc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)o2)cc1 8862278 JBKTYEPZHRSTMU-UHFFFAOYSA-N 437.594 5.778 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@H]3CCCc4ccccc43)ccc2c(=O)c1-c1ccccc1 9048458 RLHIGQQXAHRGQX-DEOSSOPVSA-N 439.511 5.341 0 40 IKAB biogenic CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C)cc2)cc1 9076019 HGNCYKVOEQJEEK-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ncc(Cl)cc1Cl 9372974 PMBVNQOTTRPGLF-UHFFFAOYSA-N 425.366 5.003 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nn(-c3ccc(F)cc3)c(=S)s2)c(Cl)c1 9390539 PYCDNRPZCSEFRH-UHFFFAOYSA-N 439.990 5.803 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccccc3)nc2SCC(=O)Nc2ccc(F)cc2)cc1 9674239 PVIDBSPMRGCZFK-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB Clc1ccc(-c2csc3ncnc(Sc4nnc(CN5CCCC5)o4)c23)cc1 9728413 YYPIOGFORPWBCQ-UHFFFAOYSA-N 429.958 5.142 0 40 IKAB Cc1oc2cc(O[C@@H](C)C(=O)N(C)Cc3ccccc3)ccc2c(=O)c1-c1ccccc1 9788954 MXGOXJJKSJMWBY-IBGZPJMESA-N 427.500 5.194 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccccc3F)cc2)cc1 9850224 IEYZLRULLWJQLI-UHFFFAOYSA-N 449.551 5.502 0 40 IKAB Cc1cccc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1C 9908040 NLEXPIYCLFVPBM-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(C(=O)N2[C@H](C)CCC[C@H]2C)cc1 9971329 UIILXEDQKHSJDS-BZUAXINKSA-N 449.378 5.803 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1cc(Cl)cc(Cl)c1)S(C)(=O)=O 10324267 JTHHGPLQBFZYLF-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB CC1CCN(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2F)CC1 11022069 DLGTUFQDGMYDMS-UHFFFAOYSA-N 444.963 5.077 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 11023472 UWWLVTRGDGSABB-QGZVFWFLSA-N 441.000 5.005 0 40 IKAB COc1ccc2nc(-c3ccc(F)c(NC(=O)c4cc(Cl)ccc4Cl)c3)cn2n1 11693546 VAHMCTXMDGUBFY-UHFFFAOYSA-N 431.254 5.103 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 12364943 KWLHNLSVNFCTMO-FLPMJASOSA-N 425.956 5.106 0 40 IKAB COc1ccc2cc(Cc3ccccc3)c(SCC(=O)Nc3nc(C)c(C)s3)nc2c1 12499986 WBRWGOSURWQCCA-UHFFFAOYSA-N 449.601 5.638 0 40 IKAB COc1ccc2c(c1)c(CC(=O)N(C)c1ccccc1)c(C)n2C(=O)c1ccc(Cl)cc1 12684816 FJDXNYYTNJDXBE-UHFFFAOYSA-N 446.934 5.506 0 40 IKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CC=C(c4ccccc4)CC3)cc12 13040894 QJLLULNYWFYABN-UHFFFAOYSA-N 431.536 5.523 0 40 IKAB C[C@@H](OC(=O)c1ccc(OC(F)F)cc1)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13145496 HLFRHMIDMJZEGI-GFCCVEGCSA-N 442.443 5.171 0 40 IKAB COc1ccc(C2=C/C(=C3/N=C(c4cccc(Cl)c4)OC3=O)c3ccccc3O2)cc1 13577209 RLEAHUNABRTUGT-ATJXCDBQSA-N 429.859 5.497 0 40 IKAB Cc1nc2oc3c(=O)n(Cc4ccc(Cl)cc4Cl)cnc3c2c2c1COC(C)(C)C2 13723287 FBWLXYIKOJNDGA-UHFFFAOYSA-N 444.318 5.053 0 40 IKAB CN(C)C(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nn2-c2ccccc2)c1 14245058 MPSLBDIKEDCQJS-UHFFFAOYSA-N 444.922 5.147 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cccc1C(=O)O 14269455 HTKJXZPCMDVJRX-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 14291412 ZGTKOOYRLISTRN-VQHVLOKHSA-N 430.287 6.082 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4C)cc3c2C)c1 15729505 LBADARSCRVVEJA-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)C(c1ccccc1)c1ccccc1 17097411 XNKVNBQAUZSYBO-UHFFFAOYSA-N 431.344 5.344 0 40 IKAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17098345 LRVJFJNYIQKSDW-UHFFFAOYSA-N 433.360 6.251 0 40 IKAB Cc1cc(C)cc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccco2)c1 17121933 KRUCIWHLETVBAQ-UHFFFAOYSA-N 431.605 6.436 0 40 IKAB Clc1ccc(CN2CCC[C@H]2c2nnc(-c3nccc4ccccc34)o2)cc1Cl 19376471 JBSQNXKAWPHCRY-IBGZPJMESA-N 425.319 5.929 0 40 IKAB CC[C@@H](NC(=O)Cn1nc(C(F)F)c(Br)c1C)C12CC3CC(CC(C3)C1)C2 19639947 ORQYYEHRXZBBEL-NSOUWEPUSA-N 444.364 5.003 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)OCc1ccc(-c2cccc(Cl)c2Cl)o1 19644177 ZVIQHJWCHYEWSA-UHFFFAOYSA-N 446.113 6.682 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 20110771 WBZYXJATPUROMR-JOCHJYFZSA-N 428.022 7.142 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OCCCC)c3)sc2c1 20411443 JEKFGBLMQMLIJP-UHFFFAOYSA-N 426.538 5.684 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1Cl 20411939 FSMLBLUZKWWBON-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB CCn1c2ccccc2c2cc(CNCCCSc3nnnn3-c3ccccc3)ccc21 22108349 RQWAQSRAUBPWGP-UHFFFAOYSA-N 442.592 5.062 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(OCCSc2ccccc2)cc1 22527968 MKHACWQKZNYVJO-UHFFFAOYSA-N 432.545 5.237 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cc1)c1ccccc1 22882100 ZSMXNWYBGIGWRD-UHFFFAOYSA-N 438.512 5.567 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1CNC[C@H](c1ccco1)N1CCCC1 22918660 CLQYBJAATWHCJL-JOCHJYFZSA-N 447.410 5.375 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCc2nnc(-c3ccccc3Br)o2)n1 28031030 BCLRYVHDHLKDLK-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB Brc1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCC3)cc1 28114071 ZNNLMUXHMANZHW-UHFFFAOYSA-N 433.167 5.293 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1 30853982 WOYCGAPBSKYBTP-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB Cc1ncc(NC(=O)c2ccc(Br)o2)n1-c1nc(-c2ccc(F)cc2)cs1 32615905 RCGYYKVEFYKQDF-UHFFFAOYSA-N 447.289 5.051 0 40 IKAB Cc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2C2CCCC2)c(C)o1 32984859 NUZKBSAZDHAWKD-UHFFFAOYSA-N 431.561 6.076 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nc2cc(-c3ccccc3)sc2c1=O 33278121 OBLNHWVRHKCUNH-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB CC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)cc1 35039675 ZLYGYMNMUGZTBB-NDENLUEZSA-N 439.945 6.208 0 40 IKAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)C3c4ccccc4Oc4ccccc43)cc21 38943723 AIFDWFKPPPRAEJ-UHFFFAOYSA-N 426.516 5.498 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(N4CCc5ccccc5C4)cc3)cc2c1 57718176 ITFRQMGDXDZXAR-UHFFFAOYSA-N 425.532 5.102 0 40 IKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)ccc2OC)cc1 67258947 FBEBUJNMVXWPBE-UHFFFAOYSA-N 430.529 5.338 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3ccccc23)CC1 69926113 SEGSWJUTGWRGFZ-DEOSSOPVSA-N 429.568 5.323 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 72055789 GPOWHWKHVAHLNO-UHFFFAOYSA-N 446.532 5.740 0 40 IKAB CCCCN(C)c1ccc(C(F)(F)F)cc1C(=O)Nc1ccc(F)c(NC(C)=O)c1 72283609 ANBRXXFAFINBOX-UHFFFAOYSA-N 425.426 5.292 0 40 IKAB COc1ccc(CNC(=O)C[C@H](c2ccccc2)c2c[nH]c3cccc(OC)c23)cc1OC 85877201 UYXGSZNEGFIYKD-HXUWFJFHSA-N 444.531 5.032 0 40 IKAB biogenic CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 100429666 DYWAUUYYCXLNMX-MRDQGFSESA-N 446.934 6.893 0 40 IKAB C[C@@H]1C[C@H](c2ccncc2NC(=O)c2ccc(F)c(-c3c(F)cccc3F)n2)C[C@H](N)C1 140670580 VRQXRVAKPDCRCI-QLFBSQMISA-N 440.469 5.044 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccccc3Cl)cc2)S(C)(=O)=O)c1 222383625 MERIONUEHUSFJH-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 222713457 HVDXZQGETAPWNK-JDORSLCVSA-N 444.387 6.628 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 222743738 BJZKCNUTFLPWNT-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 223015734 HHOOHNXPJZFMQN-JOCHJYFZSA-N 428.960 5.507 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223414783 LKEHYYXUYZRWMQ-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807781 GFMFFRXGFJAQAR-GOSISDBHSA-N 445.028 5.217 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cc(C)cc(C)c1 224193715 QWHGXRGQAJYMQC-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224267286 PVKNICZODMWQML-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224324890 DSWZTJOYEZLFDG-RPWUZVMVSA-N 425.561 5.007 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1CSc1ccc(Cl)cc1 224349153 RKJHVZVLFWUEJT-UHFFFAOYSA-N 436.335 6.686 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224390684 CDHOGKUSGFREER-UHFFFAOYSA-N 427.953 5.580 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224557229 SZDBFLOEDXCFRE-XMMPIXPASA-N 440.653 5.365 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224605419 RLTDHSCPINPGOR-XMMPIXPASA-N 438.637 5.078 0 40 IKAB Cn1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224653808 LYSSFDYSQXZDCT-DNQXCXABSA-N 426.545 5.390 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224702361 MAGOVQOMYWIUNL-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c1 224832124 IMNDYSOXBBVRNG-BJKOFHAPSA-N 448.592 5.029 0 40 IKAB CC1CCN(C(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)CC1 224954243 UHFLOELFZDPFTL-UHFFFAOYSA-N 425.326 5.643 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC1CCCCC1 225150370 SUHHDOUHCZKSCI-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225361720 SCEYBOWGBIYQOF-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB CC(C)Oc1ccc(CCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225568750 CWOBJEYCISNANV-UHFFFAOYSA-N 430.923 6.065 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC 225765247 YPWZDLYXPBUYJQ-QGZVFWFLSA-N 443.971 6.145 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363195 JJAFWOWREQRYGA-UHFFFAOYSA-N 438.335 7.697 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1CCc1ccc(F)cc1 257233406 GPDJMJZXKUMISE-VWLOTQADSA-N 446.522 5.000 0 40 IKAB CC(C)C[C@@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1cccc(Cl)c1 257309282 UAIDRXCSOJBEGE-UZVYXBEXSA-N 428.956 6.485 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)CC1)C1(Cc2ccccc2)CCOCC1 257314526 UXJVHBAMYMFTIK-QHCPKHFHSA-N 442.603 5.446 0 40 IKAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408641599 KOXROWBPVLRAHY-LJQANCHMSA-N 430.504 5.096 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)c1 408697788 JMMZJHOHOMBCNY-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc3nc(SCc4ccccc4)sc3c2)[C@H]2C=C[C@H]1C2 408750598 PESIAPJFZBSXRU-SLUIBLPYSA-N 436.558 5.050 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)C1=O 408812282 MOGPCLSTLDNMFL-NVNXTCNLSA-N 428.724 5.892 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Cl)c1OCc1ccccc1 409020715 SJBIAXHGCXPVSV-OOWUWCJESA-N 445.968 6.153 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(CC)cc2)cc1Br 409121733 ZRZLENPLSQHTBN-UHFFFAOYSA-N 427.180 6.175 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1CC1CCCCC1 409149186 YSMYWVNYRWMZJI-KGENOOAVSA-N 444.021 7.108 0 40 IKAB O=C1S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 409212113 OYWFYOZVWGXCSC-LDADJPATSA-N 448.853 6.390 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)ccc1OCc1cccc2ccccc12 409358433 TZFNXQDDCNHQIK-HZHRSRAPSA-N 433.529 5.874 0 40 IKAB Cc1ccc(OC(C)C)c(-c2ccc(C(=O)O)c(CCc3cc(Cl)cc(Cl)c3)n2)c1 585265096 GARJKKDCZQLUMC-UHFFFAOYSA-N 444.358 6.634 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 651181 FAQWNQOYSIZZOA-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc(Br)cc1 831347 GIMVBGKGRLKRHN-IBGZPJMESA-N 434.380 5.039 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CC[C@H](C)C3 1377250 PCLYCTWVQPQVRO-ZDUSSCGKSA-N 439.606 5.433 0 40 IKAB CC(C)COC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3ccc(C(C)(C)C)cc3)coc2c1 1770141 SJCSQGMWEYVMEX-KRWDZBQOSA-N 438.520 5.849 0 40 IKAB biogenic C[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1931526 ICCQLLSDRXHQJF-GFCCVEGCSA-N 427.850 5.840 0 40 IKAB Nc1c(Br)cc2oc(-c3cc(F)c(F)cc3Cl)nc2c1Br 2210705 AOBUKNAXWYEKDT-UHFFFAOYSA-N 438.453 5.534 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2222737 QPYADFHVCPRODO-JOCHJYFZSA-N 447.918 6.082 0 40 IKAB COc1ccc(-c2oc3ncn4nc(-c5ccccc5)nc4c3c2-c2ccc(OC)cc2)cc1 2259534 SIZIEFLUDJSKLR-UHFFFAOYSA-N 448.482 5.889 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3)Nc1ccccc1 2356219 ZZOMIMOEAJKIHB-UHFFFAOYSA-N 431.586 5.968 0 40 IKAB COc1cccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCC(C)CC2)c1 2589871 CIZCPAGYUCMLFA-VWLOTQADSA-N 448.632 6.447 0 40 IKAB CCCCC1CCC(C(=O)N2CC(=O)Nc3ccc(F)cc3[C@@H]2c2ccc(F)cc2)CC1 2724698 NAEPYRHHQRJPOV-HGEUABKPSA-N 440.534 5.832 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1 2733338 QXBCCJKUNXWHDR-UHFFFAOYSA-N 438.861 5.984 0 40 IKAB COc1cc(Nc2nc(SCC(=O)c3ccc(F)cc3)nc3ccccc23)cc(OC)c1 2949048 JRFBUPKLUBNBNF-UHFFFAOYSA-N 449.507 5.505 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1ccccc1Cl 3224213 DOUZQBYSZUUOQA-UHFFFAOYSA-N 449.816 5.293 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)CCC(=O)c1ccc(F)cc1)c1ccccc1 3253640 GXWOLPUBDDXKDY-RUZDIDTESA-N 449.478 5.029 0 40 IKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(O)=Nc4ccccc4N32)cc1 3283380 IRIJPODRPLROHK-HSZRJFAPSA-N 435.487 5.431 0 40 IKAB C[C@@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4722963 OFMXGFHWLZPCFL-UVZSVALRSA-N 426.729 8.457 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 4794677 LSVVQGOVNUXOAF-JKJMAWGESA-N 426.604 7.258 0 40 IKAB O[C@@H](C[C@@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 5082651 ZHOOOEZKEUBMPQ-CRNKYVSFSA-N 429.604 5.700 0 40 IKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cc(Br)c(Br)o1 8431286 DCSUQJSVPNAKOI-DHDCSXOGSA-N 447.082 5.302 0 40 IKAB CC1=NN(C(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)[C@](O)(C(F)(F)F)C1 8455292 OCLVLMAKOKRTDH-GOSISDBHSA-N 447.240 5.045 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3sccc3c(=O)n2-c2ccccc2)c(Cl)c1 8719140 LVBKZAFSMFUNOX-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Oc2ccccc2)cc1 8752109 IJBBQUULJJPWRU-UHFFFAOYSA-N 428.513 6.069 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 8771708 KLJYDOWCWHBHHT-OAQYLSRUSA-N 439.968 5.397 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4Cl)cc3n2)cc1 8831191 IIUGLRWHYZBFQD-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 8871256 PYDLSANYXGSFHU-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1cc(Cl)ccc1OC)C(C)(C)N2 8916647 GFLSJAUUUFKOGE-ATJXCDBQSA-N 432.998 6.430 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 9044503 LTTSOKCDENKPEV-SFHVURJKSA-N 444.354 5.187 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1C 9059458 TXXDRNPFIGKKPH-HNNXBMFYSA-N 431.483 5.899 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)c3nnc(-c4cccs4)o3)[nH]c(=O)c12 9219022 YCFULQFJDRGXSI-JQWIXIFHSA-N 446.623 5.846 0 40 IKAB Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc2c1 9273833 NMAFMHZKCZSSPV-UHFFFAOYSA-N 430.558 5.765 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)c1 9364331 MOPUNJNUKDFXTM-UHFFFAOYSA-N 440.594 5.127 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 9426954 DBRHDZLAWXWWEV-VWLOTQADSA-N 428.513 5.459 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 9707718 DYYQLVAAFAUTJA-UHFFFAOYSA-N 448.569 5.523 0 40 IKAB O=C(OCc1cc(Cl)cc2c1O[C@H](c1ccccc1)OC2)c1cc2ccccc2oc1=O 9728633 MOTKLDBAXDOGSA-RUZDIDTESA-N 448.858 5.411 0 40 IKAB Cc1sc2nc([C@H](C)Sc3nnc(-c4cccs4)n3C3CC3)[nH]c(=O)c2c1C 9813232 BDLXMQUUBOEJHD-NSHDSACASA-N 429.596 5.110 0 40 IKAB Cc1ccc(C)c(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10276590 WISQCDOAEYBVDH-FQEVSTJZSA-N 444.641 5.025 0 40 IKAB O=c1c2c(nc(SCc3ccccc3F)n1-c1cccc(C(F)(F)F)c1)CCS2 12140591 LFAMOJBXXPEBPV-UHFFFAOYSA-N 438.471 5.331 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2s1 12140925 BCDMYSMFJXPGOJ-UHFFFAOYSA-N 425.451 5.053 0 40 IKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)Nc2ccc(C)cc2)cc1 12447840 SISSIOUECFLRBO-MHZLTWQESA-N 425.532 5.071 0 40 IKAB biogenic,in-vitro COc1ccc(-c2nnc(SCc3csc(-c4ccc(C(F)(F)F)cc4)n3)o2)cc1 12777632 LAFYWJDIMPEKQD-UHFFFAOYSA-N 449.479 6.180 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@H](C)c4ccccc4)c(=O)c23)cc1 12988663 NYHFSJNGKGKRDV-GOSISDBHSA-N 431.561 5.043 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C3CCCCC3)C3CCCCC3)c2n1 13148912 IFHCCIGCOPDWTI-UHFFFAOYSA-N 449.422 6.723 0 40 IKAB CCCCOc1ccc([C@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN32)cc1 13536019 LUEVWYISICJEBT-SHQCIBLASA-N 428.532 6.116 0 40 IKAB CC[C@H](C)c1ccc(S(=O)(=O)N2CCN(c3ccc(Cl)c(Cl)c3)CC2)cc1 13947199 HEZDBHXJCYWYLL-HNNXBMFYSA-N 427.397 5.018 0 40 IKAB NC(=O)c1ccc(-c2nnc(Oc3ccc(OC(F)(F)F)cc3)c3ccccc23)cc1 14944604 ACPOSCKIZGKNQE-UHFFFAOYSA-N 425.366 5.087 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1cccc(C(F)(F)F)c1 15881947 MIIATWOMBYPMIL-UHFFFAOYSA-N 449.502 5.188 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1ccccc1C(F)(F)F 15911130 GBKCLYHVQSNSJO-UHFFFAOYSA-N 444.438 5.193 0 40 IKAB Cc1c(NC(=O)c2cccc(OCc3ccccc3)c2)cccc1-c1nc2ccccc2[nH]1 16250098 YINGCMJCUPLALK-UHFFFAOYSA-N 433.511 6.370 0 40 IKAB Fc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 16450011 UYRQJPVUSRVWKO-UHFFFAOYSA-N 434.736 6.110 0 40 IKAB COc1ccc(-c2nn(-c3cccc(Cl)c3)c(-c3ccc(OC)cc3)c2Cl)cc1 17094289 IKWXKEHHQAUVFO-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 17099285 HHUWVVJMJUJBQV-INIZCTEOSA-N 434.923 6.679 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccccc2C)c(Br)c1 20041073 FFAQPCYLDZGJKF-DEOSSOPVSA-N 438.365 5.605 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21624410 DHPCGPCARNXPCJ-ATIYNZHBSA-N 442.559 5.064 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 22275056 YDOPPAHLNUJFPW-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2C)c(C)c1 23127018 BSEGNOZXKLVMQW-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 24226769 DRDIFHOFMNFMPX-VWLOTQADSA-N 427.573 5.423 0 40 IKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(C)c(C)c2)cc1 28288836 ACUBNWODJJCMFD-MHZLTWQESA-N 428.532 5.420 0 40 IKAB COc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(OC)cc2)cc1 32109893 UMZYIQZSPYBPSH-UHFFFAOYSA-N 440.584 6.182 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(Br)c3)sc2c1 32118847 FPKNIHGRSNAWOX-UHFFFAOYSA-N 448.411 5.528 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(-c3ccccc3)no2)cc1 32578546 MJUAVURFZXCVAV-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1cccc(-c2ccc(SCc3nc(-c4cccc(C(F)(F)F)c4)no3)nn2)c1 33022012 CSDXRGPUAUBIKU-UHFFFAOYSA-N 444.438 5.513 0 40 IKAB O=C1N=C(O)/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(OCc2ccc(Cl)cc2)cc1 34233941 DLLWIEPUPTVALD-BKUYFWCQSA-N 448.862 5.131 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 34690359 VYRDEWKQWCRSAW-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2cccc3ccccc23)cc1OCc1ccccc1 35376921 QRLBIGACHHHGAG-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2cccc(Cl)c2)CC1 39772220 RUYKNMLFMNSUHB-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(SCc2cccnc2)cc1 40023336 IYXPUNHTCYDYAK-XMMPIXPASA-N 429.545 5.277 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(-c2ccc(CO)o2)cc1 59294575 MZEROFQSKIJKPU-NTCAYCPXSA-N 444.512 5.225 0 40 IKAB COc1ccc(N[C@H](CC(=O)c2ccc(Br)cc2)c2ccc(OC)cc2)cc1 59371634 XECDCZWFKBSFRT-JOCHJYFZSA-N 440.337 5.893 0 40 IKAB CCc1ccc(-c2noc(-c3nn(-c4cccc(SC)c4)c(=O)c4ccccc34)n2)cc1 64950156 SVKBMGRDNVJMLA-UHFFFAOYSA-N 440.528 5.387 0 40 IKAB CC(=O)Nc1cccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c1 72401024 LAFFRXBMJHEVGR-DEOSSOPVSA-N 445.563 5.079 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96062690 MZWLXOWNLIWUED-UHFFFAOYSA-N 425.467 5.177 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 100503865 IKRVZWCJADPXNU-SAZLYLDSSA-N 437.926 5.764 0 40 IKAB CCOC(=O)c1sc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1C 102181371 JJTRFGMJEGYYLJ-RCRDTURJSA-N 440.403 5.296 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 106680658 QOEVVWGMWXQIKE-UCQKPKSFSA-N 449.503 5.650 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)c1 107596593 MYSVQGVHHOCTBF-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB CC(=O)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913426 XRPYRCCVSZYAQT-ZCSPFZDUSA-N 428.657 6.893 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 222998174 NJNKCXQDHMXBIA-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223174943 PRIWEYGZDQMYSE-FQEVSTJZSA-N 435.574 5.780 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 223770732 IKSAEEODPZJUOL-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224183878 VOZHQCFLZJUSEG-UHFFFAOYSA-N 447.531 5.611 0 40 IKAB COc1cc2c(cc1S(=O)(=O)N[C@H]1CC3(CCCCC3)Oc3ccccc31)CCCC2 224216348 RAEGXVRELGIBCG-NRFANRHFSA-N 441.593 5.079 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224311694 LSJDBTUAMMFHSJ-HXUWFJFHSA-N 434.555 5.101 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224586632 FBYXUWXORAKVFN-AREMUKBSSA-N 436.640 5.631 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224640784 WXEHILHQVJSLAN-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1cccc(N2CCCC2=O)c1 225058546 JOAPAKFCIAHRJE-UHFFFAOYSA-N 436.964 6.011 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 225138276 CGKWIUSHWFVCEY-IBGZPJMESA-N 447.044 5.215 0 40 IKAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)c1ccccc1 225962030 RDVSOHVBWCQHKI-LJQANCHMSA-N 447.608 5.697 0 40 IKAB C[C@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NC2CCCCCC2)n1 226010563 HNBVMZQZUBKJSY-SFHVURJKSA-N 439.629 5.657 0 40 IKAB C[C@@H]1CCC[C@H](OC(=O)c2cc(Cl)c(Cl)c(-c3cc4ccccc4oc3=O)c2)C1 226357736 XIWOIPGKTNLKLD-CJNGLKHVSA-N 431.315 6.502 0 40 IKAB C[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 239434047 YXOHRYLHCVUPMD-UDKICSLYSA-N 442.648 6.359 0 40 IKAB C[C@H](C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1)c1ccccc1 248195061 ONAOSPSDEHIPSY-UHMOLFJZSA-N 448.533 5.336 0 40 IKAB CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc2c(c1)CCCC2 260949467 XFEFREDSUKETQO-ZCYQVOJMSA-N 425.016 5.698 0 40 IKAB O=C(CN1CCCc2ccccc21)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 408549526 ZLSXDFVKZWPJSH-UHFFFAOYSA-N 445.588 5.271 0 40 IKAB COc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OCc1ccccc1 408554172 CEBHVBJTNGKJGZ-UHFFFAOYSA-N 430.273 5.428 0 40 IKAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 408578590 ZCDGUZNBUYEAQS-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1C 408647719 XHRMVHLTMMUCFN-SFHVURJKSA-N 434.923 5.741 0 40 IKAB O=C(NCc1ccc(Cl)cc1)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063856 NQGCMGDEGZUKQB-UHFFFAOYSA-N 432.951 5.176 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409171403 APUODCJHUGQHJH-SMCZIWJPSA-N 436.599 7.359 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 409335359 WFBFKPZGCCEFJJ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)Cc3ccccc3)ccc2Cl)cc1C 409380329 CWLDIJVMQIAYPM-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc3cccc(Cl)c3n2)cc1 585091794 PHEJIEZVMGZCLB-UHFFFAOYSA-N 430.891 5.429 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 702345 KEQRVKWVVMFUJU-GWCFXTLKSA-N 432.373 5.499 0 40 IKAB NC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCCC2 799655 XTKUAEZYGMHYFS-UHFFFAOYSA-N 427.529 5.193 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)Nc5ccccc5)nnc4c23)C1 1339596 LRVWBIUFEFVPMZ-ZDUSSCGKSA-N 449.605 5.072 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 1380134 GGYWADWHVSIDEX-XMMPIXPASA-N 434.511 5.482 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(Cl)cc2)N2CCC(C)CC2)c1C 1448859 GYOKFBOADAVHAG-JOCHJYFZSA-N 443.012 6.685 0 40 IKAB O=C(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)OCc1ccccc1 1705325 LOAZTFJSLYPYJC-UHFFFAOYSA-N 438.523 6.131 0 40 IKAB COc1ccc2c(c1)N(C(=O)/C=C/c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 2063155 MBAMYBUNNFFWAD-FMIVXFBMSA-N 439.627 6.818 0 40 IKAB CSc1nc(SCc2ccc3ccccc3c2)c2c3c(sc2n1)COC(C)(C)C3 2210603 XPEGGWLVJXARAB-UHFFFAOYSA-N 438.643 6.710 0 40 IKAB COc1ccc([C@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(Cl)cc1Cl 2317832 DDDMMNXQRDEVRV-HSZRJFAPSA-N 429.299 6.288 0 40 IKAB CC(C)[C@H](C(=O)N[C@@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 2371295 HAVDDOKQPHFPFA-KYJUHHDHSA-N 433.595 7.193 0 40 IKAB CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 2433126 KBGIJNJVHXVDOI-BKJWKRJESA-N 434.580 5.291 0 40 IKAB COc1ccc(Nc2nc3ccccc3c3nnc(-c4ccc(Cl)c(Cl)c4)n23)cc1 3063798 JWTHBINFZADSKZ-UHFFFAOYSA-N 436.302 6.004 0 40 IKAB C[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1nc2c(s1)C(=O)C[C@@H](c1ccccc1)C2 3107858 FQDCNCJOURUKNF-ZFWWWQNUSA-N 442.993 5.829 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 3229335 HOFFSBVTENLFEM-UHFFFAOYSA-N 441.622 5.607 0 40 IKAB O=C(OCc1c(F)cccc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12 3316319 HVCKHTRTJHYIQX-UHFFFAOYSA-N 426.274 6.705 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 4668768 BZXMTIAOAFOSFL-XNMGPUDCSA-N 426.560 6.625 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(/C=C/c3ccc(Cl)cc3)ccc(=O)n1C2 5441157 BURNAAANAPVYNP-RUHNTQCHSA-N 448.925 5.071 0 40 IKAB biogenic,in-vitro Cc1cccc(C)c1NCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1 6443467 LEKPTYYMYWEEIB-UHFFFAOYSA-N 434.996 6.442 0 40 IKAB CCCCc1ccc(-c2csc(NC(=O)c3c(F)cccc3F)c2C(=O)OC)cc1 8455774 KWCZQWGUKUUJQE-UHFFFAOYSA-N 429.488 6.075 0 40 IKAB COc1cccc(Nc2nnc(SCc3nc(-c4ccccc4Cl)no3)s2)c1 8725978 DHOSZDBCHWOVLN-UHFFFAOYSA-N 431.930 5.286 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1cccc(Cl)c1 8755002 QRCKJOWCNOUQOK-SFHVURJKSA-N 431.923 5.289 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O 8828143 KBKBXEXFZCLZCG-HSZRJFAPSA-N 447.538 5.767 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1Cl 8832242 KBZVIJIZFRFEFH-VOTSOKGWSA-N 445.538 5.526 0 40 IKAB COc1c(C(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cc2ccccc2c1Br 8832373 QQRSCZCOHZCIKO-UHFFFAOYSA-N 444.328 6.434 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 8869839 PAHRSXSFUWTVSY-LLAFXHEGSA-N 447.685 5.496 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1C 8922076 MGUWELGOFQQPJK-AREMUKBSSA-N 433.935 5.273 0 40 IKAB CCC(=O)c1ccc(OCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)cc1 9223423 IPWQBAAOVDYDFT-QHCPKHFHSA-N 426.516 5.088 0 40 IKAB CCN(CC)c1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 9233018 GAVVMODELXOVPL-UHFFFAOYSA-N 444.670 5.857 0 40 IKAB COc1cccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)c1 9288249 DFOJDZAHRWXKCR-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9289261 JTENPBUEUSQQGE-SANMLTNESA-N 436.559 6.396 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1 9512800 LFKADMJJRGQSGP-CQSZACIVSA-N 430.961 5.276 0 40 IKAB COc1cccc(NCc2nnc(SCc3csc(C)n3)n2C2CCCCC2)c1 9516764 CAPXWTDQLRGIQX-UHFFFAOYSA-N 429.615 5.461 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3n2)cc1 9525794 PJHAWIOLYGHNNT-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB CCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(Br)cc2)cs1 9607043 UYRUEUXADYMKTH-UHFFFAOYSA-N 432.343 5.640 0 40 IKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)C1CCN(C(=O)c2cccs2)CC1 9781502 XMPNBJJPMITGOP-UHFFFAOYSA-N 447.585 5.516 0 40 IKAB O=C(c1cccc(Oc2ccccc2)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9820886 OXUFQQYHZGTFLK-UHFFFAOYSA-N 445.906 5.987 0 40 IKAB CCOc1ccccc1NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 10119226 XQXBZYXFEIRLOL-UHFFFAOYSA-N 448.906 5.488 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1-n1cnc2ccccc21 12564842 PPCGTNKJJIKGDH-UHFFFAOYSA-N 430.817 6.342 0 40 IKAB Cc1ccc(C)c(CSCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)c1 13131860 VGVXTKJLAHLQNU-UHFFFAOYSA-N 426.994 6.355 0 40 IKAB O=C(COC(=O)COc1ccccc1)Nc1ccccc1Sc1ccc(Cl)cc1 13141748 AKHSBKCRIGZUFM-UHFFFAOYSA-N 427.909 5.052 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1 13502172 ZUZNLJUGLQKYAU-SANMLTNESA-N 441.575 5.223 0 40 IKAB Cc1cccc(CN(Cc2cc3ccc(C)c(C)c3nc2Cl)C(=O)c2cccc(F)c2)c1 13562060 SVDCXTWMDOIXHC-UHFFFAOYSA-N 446.953 6.795 0 40 IKAB CC1CCN(c2ccccc2NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)CC1 13946232 YILSZFCLRJNMQR-WYMLVPIESA-N 445.588 5.709 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)nc2c1 14270171 QRDGJRNCDDPEAB-UHFFFAOYSA-N 445.544 5.561 0 40 IKAB COc1cc(/C=C2\NC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OCc1ccc(C)cc1 15012218 PKFPJGIGHNEYQD-MTJSOVHGSA-N 448.906 5.333 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(Oc3ccc(Cl)cc3)c2)NC(=O)N1 15910326 BASAPHXKTUUGLJ-QFIPXVFZSA-N 433.895 5.399 0 40 IKAB O=S(=O)(Oc1ccc(C2SCCS2)cc1)c1cc(C(F)(F)F)ccc1Cl 16085638 NWHCNKHFGGAJST-UHFFFAOYSA-N 440.917 5.605 0 40 IKAB Cc1ccc(C(=O)N[C@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 16291969 MFJQTHQZLOJMHS-OAHLLOKOSA-N 437.548 5.263 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 16362368 RZTKRVCSVSCGND-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNCCc1ccc(F)cc1 16688075 HAGIYTUMPOMKAT-UHFFFAOYSA-N 431.143 5.082 0 40 IKAB COc1ccc([C@H](NC(=O)/C=C(\C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 17193742 PGOVFNZQZSMXCW-IGKWXXDOSA-N 433.551 6.671 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 19082056 PEARAEPDLIUVNL-NRFANRHFSA-N 434.411 5.504 0 40 IKAB CCOC(=O)c1c(N2CCCCC2)nc2ccc(Br)cc2c1-c1ccccc1 19118805 AUPBYWHPCJDXLY-UHFFFAOYSA-N 439.353 5.831 0 40 IKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1ccc2ccccc2c1 19630266 BHHGLNJRJCOWFF-UHFFFAOYSA-N 439.565 6.243 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)oc2ccccc12 19689653 MBHVXOPSZYMKJK-OAQYLSRUSA-N 444.510 5.381 0 40 IKAB O=C(NC(Nc1ccccn1)(C(F)(F)F)C(F)(F)F)c1ccc(Cl)cc1Cl 20064914 GXUIFFSAEPZMSJ-UHFFFAOYSA-N 432.151 5.051 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(F)cc4)c(C(F)(F)F)nn23)cc1 21799122 VNDVDBRQQLQVRR-UHFFFAOYSA-N 443.404 5.565 0 40 IKAB CCN1CCN([C@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1 22917861 JYAOTWZPMGUUJO-JOCHJYFZSA-N 439.650 5.406 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(C)C)CC1 26795388 NEWVICPNHKNCGD-VWLOTQADSA-N 434.624 5.658 0 40 IKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 28228874 HNJOJWUADZLGIA-UHFFFAOYSA-N 425.357 5.086 0 40 IKAB Clc1ccc2c(NCCNCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 29398920 HRUWSRXSOBVXEI-UHFFFAOYSA-N 426.351 5.203 0 40 IKAB in-vitro O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccco1 30755991 VETDZAIYOGCCOR-UHFFFAOYSA-N 449.359 5.388 0 40 IKAB CCCCOc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)on2)c2cccnc12 32622541 WZFYAJQUFSZKRY-UHFFFAOYSA-N 445.475 5.092 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ncc(Cc2ccc(Cl)cc2)s1 32719781 FJJNQYUMZUHDTN-UHFFFAOYSA-N 425.966 5.692 0 40 IKAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1cccc(N2CCCC2=O)c1 32810201 FWVKIKCVMZVMOK-UHFFFAOYSA-N 443.528 5.108 0 40 IKAB Cc1[nH]c2ccccc2c1-c1csc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)n1 32900213 VDOGDZARAPJWTD-UHFFFAOYSA-N 442.548 5.320 0 40 IKAB C[C@@H](NCC(=O)Nc1ccccc1C(=O)Nc1ccc(F)cc1)c1ccccc1Cl 57315268 MOQHVSUZGPMNEC-OAHLLOKOSA-N 425.891 5.021 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(C(F)(F)F)cc1)N1CCCCC1 72328478 NIABCDOKKMRHGI-UHFFFAOYSA-N 447.888 6.145 0 40 IKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72400792 AZFGEWGBZDEHLC-DNVCBOLYSA-N 438.597 5.095 0 40 IKAB Cc1nccc(-c2cccc(NC(=O)c3sc(-c4ccc(Cl)s4)nc3C)c2)n1 95377601 JMLLJUHTQUYJLX-UHFFFAOYSA-N 426.954 5.851 0 40 IKAB COc1ncccc1NC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037895 ROHDWIANZKONKX-UHFFFAOYSA-N 428.473 5.274 0 40 IKAB O=C(Nc1ccc2nc(SCc3cccc(F)c3)sc2c1)[C@H]1CCCC[C@H]1C(=O)O 96581569 ROJAJBSDMWJQBH-DLBZAZTESA-N 444.553 5.557 0 40 IKAB COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102403113 NPOSEQSFOMKTER-XEYPJELSSA-N 449.528 5.040 0 40 IKAB CCOc1cc(C(=O)N2CCS[C@H](c3ccccc3)CC2)cc(OCC)c1OCC 211141117 DNGGTYMFRJMFAN-QFIPXVFZSA-N 429.582 5.203 0 40 IKAB Cc1ccc([C@H](C)NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 219479963 PUCLYVOXCIHWTB-IBGZPJMESA-N 448.588 5.172 0 40 IKAB COc1ccccc1Oc1ccc(NC(=S)NCC2(c3ccccc3)CCCCC2)cn1 223994392 RCBJCFJYAMLLFJ-UHFFFAOYSA-N 447.604 6.071 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccc(Cl)cc1 224161220 DOJOKYXQJKTMSE-UHFFFAOYSA-N 449.978 6.023 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1C(C)(C)C 224175790 OKIAUCGHCUKNNQ-UHFFFAOYSA-N 446.547 5.782 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cccc2ccccc12 224303783 ZGQGRBZPUZJJBA-UHFFFAOYSA-N 427.456 5.408 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225131711 DCUJXHHDTVORNW-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225450603 GGWDZOLMCCGGKS-SANMLTNESA-N 430.592 5.149 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 225552851 QGHBGFBCMUMAHG-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225556607 IHVVARJHHZZUQD-UHFFFAOYSA-N 449.422 6.165 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225557121 XZXOZEZISFMDAR-REWPJTCUSA-N 426.626 5.118 0 40 IKAB CCC1(CC)C[C@H](NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c2ccccc2O1 225664584 YJICQQBLGGIVQK-YFORGORKSA-N 445.990 7.079 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1 225751236 WEJUCTIPZFTKIJ-INIZCTEOSA-N 430.570 5.017 0 40 IKAB COc1ccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 225763606 IZUUCJJZDAWICG-UHFFFAOYSA-N 437.908 5.912 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cccc(Cl)c1Cl 225803801 BUXZQIIBKUCXHK-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB C[C@@H]1CCCCN1c1cc(N2CCCCCC2)nc(NC(=S)NC2CCCCCC2)n1 226010524 NASDFKWRIRCDRV-LJQANCHMSA-N 444.693 5.245 0 40 IKAB CCCCOc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 231425280 WIBMZSFTUQKREP-UHFFFAOYSA-N 440.348 5.797 0 40 IKAB CCc1nnc2sc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nn12 408575340 ULRVIYDMNSSDND-FYWRMAATSA-N 441.516 5.327 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccccc3Cl)c3ccccc3n2)cc1 408643464 BDKBKHKBNHZPPK-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(Cl)c2)c1 408693854 GANPECDDGPDGQP-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CC(C)COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)cc1 408812722 PIDBFCCJPLMHQV-VITHBVDTSA-N 449.640 6.775 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1cccc(Br)c1 408841825 HUXXFVRZWCLZIV-XDHOZWIPSA-N 438.712 5.332 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccc(Cl)cc3)c(-c3ccccc3)nn12 409060534 UISYSJUTTIIMCP-UHFFFAOYSA-N 449.863 7.403 0 40 IKAB Cc1cccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c1C 409111976 ACVAKBKHIITYKD-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(C)cc2)cc1 409122478 ZMQZWRWBJROWLP-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl)c1ccccc1 409137729 XCOXCYXGWITCPN-WCRPCQDQSA-N 439.342 6.136 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 409175091 PTECYZRBQUFOSH-QGZVFWFLSA-N 446.576 5.402 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Br)c1 409177354 FDNVGYGZDNGVFK-HXUWFJFHSA-N 429.697 5.884 0 40 IKAB C[C@H](N[C@@H]1CCCc2ccc(Br)cc21)c1ccc(NC(=O)NC2CC2)cc1 536153150 SEEJEIXQFUVITR-LHSJRXKWSA-N 428.374 5.461 0 40 IKAB Cc1ccc(CN(C(=O)COc2ccc(C(C)C)cc2C(=O)O)[C@H](C)c2ccccc2)cc1 2037854258 CYSSRCNKMOXFAX-OAQYLSRUSA-N 445.559 5.985 0 40 IKAB Cc1cccc(C)c1OCC(=O)Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Cl 683275 HPXVPSCDYGAFNO-UHFFFAOYSA-N 426.875 5.366 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)cc1 1326121 XWZKAWMNYDFPMQ-GFCCVEGCSA-N 425.579 5.058 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)c1 1376455 RQWNZUBZBZZSAT-UHFFFAOYSA-N 434.565 5.367 0 40 IKAB CN[P@@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2)CC1 1683835 XYKIOPQTMJJZBF-AREMUKBSSA-N 434.691 5.175 0 40 IKAB COc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOc2ccccc2)c1 1797119 LJHFGDMRGIIKRM-UHFFFAOYSA-N 431.410 5.424 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@H](C)C2 2084885 ZLQFXCQKGHDFSN-ZDUSSCGKSA-N 435.973 5.417 0 40 IKAB O=c1c2c3c(sc2nc(SCCc2ccccc2)n1Cc1ccccc1)CCCC3 2179082 KAWBACSMOIWKBT-UHFFFAOYSA-N 432.614 5.720 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4cc5ccccc5o4)cc3)nc2c1 2315823 MXCKMKUDKIFLJL-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2C(C)C)cc1 2336890 NSNSHDSAYFYCDY-UHFFFAOYSA-N 428.532 5.665 0 40 IKAB Cc1oc2cc(OCc3c(F)cccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 2420781 SJWBJJVYYREEHT-UHFFFAOYSA-N 429.274 6.793 0 40 IKAB biogenic CCOc1ccc(-n2c(SCc3c(F)cccc3Cl)nc3c(c2=O)SCC3)cc1 2719937 QIKAFIZTYGHNQP-UHFFFAOYSA-N 448.972 5.364 0 40 IKAB CCN1c2cc(F)c(F)cc2N[C@@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@@H]21 2795850 XJHWBHNGPXTZCD-HIZRVXGDSA-N 434.527 5.364 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)C1 2812564 SGHSSVQTCJZYGH-FYSMJZIKSA-N 445.390 6.287 0 40 IKAB O=C(Nc1ccccc1C(=O)O[C@H](c1ccccc1)c1ccc(Cl)cc1)c1ccco1 3288078 FGCWQYPASYIRRN-HSZRJFAPSA-N 431.875 6.132 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1cccc(C(F)(F)F)c1 3351122 PFRCIKGKAYZSQY-UHFFFAOYSA-N 442.437 5.318 0 40 IKAB CC1(C)C[C@](C)(c2cccc(Br)c2)c2ccccc2N1C(=O)c1ccccc1 3670859 JNDUWMXCOGMRLX-RUZDIDTESA-N 434.377 6.584 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ncccc4o3)cc2C)c(Cl)c1 4122517 NPWNZXAZHJKVMY-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 6246608 OHCHQCGRMSJPJG-FQEVSTJZSA-N 442.588 5.979 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1c(C)cc(C)cc1C 8439097 YTHHSQDLWZNAEW-UHFFFAOYSA-N 439.577 5.759 0 40 IKAB CCCCc1nc2sc3c(NCc4cccnc4)nc(SC)nc3c2c2c1CCC2 9161037 IOEIQHOZLAGGHC-UHFFFAOYSA-N 435.622 5.800 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 9193054 DWPVRQPAOWHJOV-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3F)nn(CN(C)CCc3ccccn3)c2=S)cc1 9492659 VVCRMYVZQKNXTJ-UHFFFAOYSA-N 433.556 5.045 0 40 IKAB CCCCn1c(SCC(=O)Nc2cccc(CC)c2)nc2c(oc3ccccc32)c1=O 9749527 FYVFTABIZSGDAM-UHFFFAOYSA-N 435.549 5.236 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1C(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 10059226 QRQAIPJGCTUQRI-LJAQVGFWSA-N 441.571 5.608 0 40 IKAB C[C@@H]1C[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)C1CC1 10153189 CGPQVZXQDGBFMK-CLOONOSVSA-N 446.572 5.158 0 40 IKAB Cc1cc(Cl)cc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc12 10515458 XTNIJWMMWOZVJX-UHFFFAOYSA-N 449.988 6.715 0 40 IKAB Cc1ccc(NC(=O)c2sc3ncn([C@H](C)C(=O)c4ccccc4)c(=O)c3c2C)c(C)c1 11990629 VUIPXLQGLLOWFK-QGZVFWFLSA-N 445.544 5.079 0 40 IKAB O=C(Oc1c(-c2ccc(Cl)cc2)nc2ccccc2c1-c1ccccc1)c1ccccc1 12517555 OCUCISGEHXSZAA-UHFFFAOYSA-N 435.910 7.441 0 40 IKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccc(O)nc1 12777262 CJIBLGNNYXTFNU-UHFFFAOYSA-N 447.360 5.124 0 40 IKAB O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)Nc1cc(Cl)ccc1Cl 12917801 LMZDJXBKBWFLNY-UHFFFAOYSA-N 436.345 5.132 0 40 IKAB CC(C)c1ccc(C(=O)COC(=O)c2ccccc2C(=O)N(C)Cc2ccccc2)cc1 13113472 RFGVQLPPSBIUSK-UHFFFAOYSA-N 429.516 5.122 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1Cl 13497691 FAAAEBNEHFAZNN-JOCHJYFZSA-N 433.017 5.373 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(F)c1 13502421 NQPDPQHEMBGMCZ-DEOSSOPVSA-N 431.511 5.058 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1C 14069430 QVDURZQEYCDECN-LJQANCHMSA-N 442.588 5.427 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14400814 YZKZMOBLSMQMMU-LJQANCHMSA-N 440.008 6.964 0 40 IKAB COc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2-c2ccccc2)cc1 14406251 OFQJTIAPOJAFAK-UHFFFAOYSA-N 444.600 6.641 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)CCCc3nc(-c4ccccc4)no3)sc2C)cc1 14678888 WWBIXVREACBIGG-UHFFFAOYSA-N 448.548 5.529 0 40 IKAB COc1cn(CC(=O)Nc2ccc(C)c(Cl)c2)c(CSc2ccc(C)cc2)cc1=O 15824791 PUXJWARJJZKDLK-UHFFFAOYSA-N 442.968 5.058 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@@H](c2nnc(-c3ccccc3)o2)c2ccccc2Cl)cc1 16323116 ILHZEJYVIMDQDX-JOCHJYFZSA-N 445.950 6.207 0 40 IKAB Cc1ccccc1-c1c(-c2nnnn2-c2ccc(Cl)cc2)cnn1-c1ccc(F)cc1 16363062 CGLJABDTVHHRQL-UHFFFAOYSA-N 430.874 5.283 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 16789246 INNCTPVOEIZQQI-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 17098584 KVRWZNCEQAZUHO-QGZVFWFLSA-N 433.577 5.354 0 40 IKAB COc1c(C(=O)Nc2ccccc2N2CCCCC2)cc2ccccc2c1Br 17103182 QXTRJINNJOHMBB-UHFFFAOYSA-N 439.353 5.854 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(I)cc1C 20045957 MFGJAMCTQRJPDT-IBGZPJMESA-N 445.300 5.549 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl 20239783 NHKKMOKESRRYOV-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB Cc1ccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccccc2)c2ccccc23)cc1Cl 20573793 WVUZVIKOLIRPFA-XMMPIXPASA-N 434.948 5.128 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1ccc(Cl)cc1Cl 21320973 KKEJUASIBDLVCM-LLVKDONJSA-N 425.262 5.737 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(F)cc2Cl)c(OC)c1 22109941 ZSZWQFBUANCYQH-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB S=c1[nH]nc(-c2ccccc2)n1NCc1c(OCc2ccccc2)ccc2ccccc12 22110031 ZPJLLXZQLAXVAV-UHFFFAOYSA-N 438.556 6.084 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2nc(C)n(-c3ccccc3)c(=O)c2c1 22497538 XCIKRZPIVSCZHJ-UHFFFAOYSA-N 434.883 5.000 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1 22528693 SVJQUCWPAINCOE-UHFFFAOYSA-N 449.557 5.113 0 40 IKAB COc1ccc(CC(=O)Nc2ccccc2SCc2ccsc2)c(OC)c1OC 24753853 GGCCUKGQIJSNKQ-UHFFFAOYSA-N 429.563 5.247 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCCCCC1 26120353 CYPFQUNKZPCAJW-UHFFFAOYSA-N 446.638 5.349 0 40 IKAB Cc1c(C(=O)Nc2sc3c(c2C(=O)NCc2cccnc2)CCC3)oc2ccc(F)cc12 28228424 GTQZTLIMROFRRH-UHFFFAOYSA-N 449.507 5.008 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(c1ccccc1)c1ccccc1 32126711 MGENNEDVDQNCFW-UHFFFAOYSA-N 439.544 5.240 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(-c2nc(-c3ccc(Cl)cc3)no2)cc1 32623609 RTQNVOUROLUNMA-OAHLLOKOSA-N 449.894 5.472 0 40 IKAB CC[C@@H](NC(=O)c1sc(NC(=O)c2ccco2)cc1C)c1ccc(Br)cc1 32865867 LHBPKIDZOBXMEX-OAHLLOKOSA-N 447.354 5.545 0 40 IKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 34799312 GHLHSLZOSWEVLL-UHFFFAOYSA-N 439.389 6.164 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3ccc(C)c(C)c3)C(O)=NC2=S)cc1 35144455 HFKFWHZDVDHSFE-PXLXIMEGSA-N 429.545 5.328 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccc(-c2cccc(Cl)c2)o1 36358661 JIPXZEMRCNSSAD-UHFFFAOYSA-N 431.835 5.761 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OCC 39759715 ULAXKWXWHOORHR-GOSISDBHSA-N 445.003 5.227 0 40 IKAB CCC(CC)[C@@H](NC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1)c1cccs1 40157023 QINJBUNPUAYSBH-HSZRJFAPSA-N 441.618 5.629 0 40 IKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 48299176 FCLQQDIXGPSMEK-UHFFFAOYSA-N 428.423 5.172 0 40 IKAB Cc1cccc(N(C)C(=O)CSc2ccc(-n3cnc(-c4ccc(Cl)cc4)c3)nn2)c1 62007166 JVVMOZAVGYKIOY-UHFFFAOYSA-N 449.967 5.046 0 40 IKAB CC1(C)O[C@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 67665210 LOMMSDDMLICVMB-FCPABOFRSA-N 439.986 7.998 0 40 IKAB in-vitro COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 72350372 SAZBDAYNBCQFCH-JOCHJYFZSA-N 432.539 5.159 0 40 IKAB CCc1oc2ccccc2c1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398614 WKYZAVFTGFUEMZ-DFBJGRDBSA-N 433.596 5.506 0 40 IKAB O=C(Nc1ccc(Cl)cc1)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695181 ZJERBUUZRRXAOV-UHFFFAOYSA-N 432.273 5.258 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 102641762 RFBBNAHDSTYUGA-HPOJIXIOSA-N 432.490 5.098 0 40 IKAB C[C@H](NC(=O)CN1c2ccccc2-c2ccccc2S1(=O)=O)c1ccc(C(C)(C)C)cc1 219153470 YESLYZMLUDUHPC-SFHVURJKSA-N 448.588 5.037 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 222730041 SSDNENJNQBFRLA-NSHDSACASA-N 448.177 5.006 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222848391 VZSMOBOIKBPBAF-UXHICEINSA-N 432.376 6.029 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222930503 IHIQGDJFWSBKLR-LEWJYISDSA-N 444.526 5.520 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 223258943 ZPOMSYMSYOWWQD-HSZRJFAPSA-N 440.653 5.340 0 40 IKAB CC1CCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)CC1 223978506 LKVCNLBEGWXSNJ-UHFFFAOYSA-N 443.060 5.770 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC1CCCC1 224013405 GOIJPEULSQCSQP-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccc(Cl)cc1 224158099 ASKFWBHIPQHTBI-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB CCOc1ccc(CCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)cc1OCC 224596670 NJUVZNAGQHLMHK-OAQYLSRUSA-N 425.569 5.615 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224628791 VAWKKMXUAMZCRR-UHFFFAOYSA-N 445.946 6.401 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224663076 QIBTZNUQSMSRQO-HHHXNRCGSA-N 444.619 5.660 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 224671272 DESOTBZLNVLALV-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)ccc1Br 224918008 QWENBBRNYQWTHC-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1cc(Cl)ccc1Cl 224939459 YWUFLIYMMNNTJX-UHFFFAOYSA-N 432.678 5.881 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 225188323 YEMRFJKIQPYARR-HXUWFJFHSA-N 440.603 5.389 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc(C)c1OCC(C)C 225530361 DEXJSMDIWGHDTE-UHFFFAOYSA-N 434.407 7.096 0 40 IKAB CC1CCN(c2cc(N3CCCCCC3)nc(NC(=S)NC3CCCCCC3)n2)CC1 226010297 LJPCJDGMMBECPZ-UHFFFAOYSA-N 444.693 5.103 0 40 IKAB CO[C@H]1C=C2CC[C@@H]3[C@H]4CC[C@@](O)(CSc5nccn5C)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 245227314 BNOQCYMVNKKTQV-ZPGBLRTNSA-N 430.658 5.221 0 40 IKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 250408003 SPTILVJSMGMUBZ-LAOWDRHUSA-N 428.326 5.452 0 40 IKAB CN(C(=O)Cc1ccccc1F)[C@@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)CC1 257274801 NMRXVCSQXMFELB-HSZRJFAPSA-N 444.550 5.189 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(OCc3ccccc3)c(CN3CCOCC3)cc1OC2(C)C 257297874 RJDCOBHBDIFLPN-RTGAMMJTSA-N 437.580 5.125 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2s1 257300089 RSVLNSRPVJXGEE-LJQANCHMSA-N 447.991 6.340 0 40 IKAB C[C@H]1C[C@@H](C)[C@@H](C)[C@H]2C3=CC[C@@H]4[C@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]4(C)[C@]3(C)CC[C@@H]12 257346838 APXOQDSIAUQKAU-YFBOPTHOSA-N 426.729 7.881 0 40 IKAB O=C1CS[C@H](c2ccccc2OCc2cccc(Cl)c2)N1c1ccc(Cl)cc1 408557744 OQFIFRMUMBCTHH-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(F)cc3F)o2)C(=O)N1Cc1ccc(F)cc1Cl 408605972 ZOTSBSJZGFHWSK-DJKKODMXSA-N 449.837 6.254 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2c(OCc3ccccc3Cl)ccc3ccccc23)C1=O 409022089 IZPBLGCQRYXJAK-LPYMAVHISA-N 437.948 6.517 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409257620 RHJGXZAMLUHEPY-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB COc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409267669 VQLQCTSBKUJDOD-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB O=S1(=O)c2ccccc2N[C@H](c2ccc3c4c(cccc24)CC3)N1Cc1ccccc1 1101085 SGYPOSQDNJCKRG-SANMLTNESA-N 426.541 5.254 0 40 IKAB CC(C)c1ccc(-c2noc([C@H]3CCCN(S(=O)(=O)c4cccc(Cl)c4)C3)n2)cc1 1359996 PLDZKPHADIAWPZ-SFHVURJKSA-N 445.972 5.082 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)C(=O)N(c2cccc4ccccc24)C3=O)cc1 1510887 LEFVZMLZMITZLR-UHFFFAOYSA-N 434.451 5.095 0 40 IKAB COc1ccc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)cc1 1738754 IAQOCTUELVVXFY-UHFFFAOYSA-N 436.471 5.307 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 1850011 GPRJBOOOOPHGFA-HNNXBMFYSA-N 432.951 7.531 0 40 IKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(OCc5ccccc5)cc4)c23)cc1C 1896026 ODMDAFYGUTUCFT-UHFFFAOYSA-N 438.552 7.346 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@H](C(C)(C)C)C2 1944567 LWCUMUFYWBKLSB-ZDUSSCGKSA-N 435.973 5.357 0 40 IKAB CC(C)(C)C(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)C[C@@H](C(C)(C)C)CC3 2254485 FBAQELBGUFAJHW-ZDUSSCGKSA-N 426.651 6.987 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CN1CCCC1 3296317 KOBKRSMXATXCBT-UHFFFAOYSA-N 434.561 5.293 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nnc2-c2ccccc2)cc1C 3316620 GQVOPIQKWBIMAT-UHFFFAOYSA-N 438.556 6.007 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)CSc2nnnn2-c2ccccc2)c2ccccc21 3317856 QJSWRHBUEPJSKZ-UHFFFAOYSA-N 439.544 5.279 0 40 IKAB O=C(CSc1nnc(COc2ccc(F)cc2)o1)Nc1ccccc1-c1ccccc1 3406601 CJJJPFGJACMINZ-UHFFFAOYSA-N 435.480 5.186 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1cn(-c2ccccc2)nc1-c1cccs1 3545837 RWNNOWQCINAURG-UHFFFAOYSA-N 428.473 5.008 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C 3851324 WKGUHYADFSJSGL-KUMCDHDYSA-N 426.685 7.880 0 40 IKAB Cc1ccc(-c2nc(NC(=O)C34CC5CC(CC(C5)C3)C4)sc2-c2ccccc2)cc1 4424688 SBUQPCGXJQRMBZ-UHFFFAOYSA-N 428.601 6.940 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 4811567 RJJBNZOLYQZPJQ-QDOUGYSPSA-N 429.541 5.825 0 40 IKAB CSC(=S)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 4901406 GTRLSBCDXSIBTA-WRPYGWGESA-N 436.771 8.116 0 40 IKAB O=C(N/C(=C\c1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 8652840 LHWCSOURZKUQKJ-JAIQZWGSSA-N 442.733 6.451 0 40 IKAB Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 8755767 PDJBWOXOTCQDAY-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB Cc1oc2c(cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)c1C(=O)O 8834634 MYYYBCPHNGXWGJ-UHFFFAOYSA-N 437.517 5.691 0 40 IKAB COc1cc(-c2nc3nc4ccccc4nc3n2CCC2=CCCCC2)cc(OC)c1OC 8836481 BZILCHRMLJAUJX-UHFFFAOYSA-N 444.535 5.563 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 9064772 OBFVGRADPVXUOL-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB Cc1c(CC(=O)NCc2ccco2)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12 9199293 PKWLJLZCMRHTFE-UHFFFAOYSA-N 447.874 5.620 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 9226633 GAXSHIOFWCVZNL-UHFFFAOYSA-N 437.008 7.162 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 9250248 JCRKLIFKLVEABT-IBGZPJMESA-N 447.604 5.483 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccccc2)cc1 9307218 PPFRALJSMLRAPH-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@H]2c1ccccc1 9327896 GQWWUPAVOQUKKX-FQEVSTJZSA-N 426.863 5.436 0 40 IKAB Cc1nc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 9463012 PYFZCQOBXXUYNK-GOSISDBHSA-N 437.956 5.206 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 9492526 KGMIHZAIEPKRMK-QHCPKHFHSA-N 426.545 5.043 0 40 IKAB Cc1cc(NC(=O)Cc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)n(-c2ccccc2)n1 9531209 LBYOVJZUSBOSAS-UHFFFAOYSA-N 441.487 5.140 0 40 IKAB Cc1cccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1C 9607342 MKLCNYJLYMHZKW-NRFANRHFSA-N 432.911 5.918 0 40 IKAB COc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)cc1 9713815 HSPFBZHZZNFSPR-GFCCVEGCSA-N 425.539 5.253 0 40 IKAB O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 9821801 MXSXOEAJGHLCHT-FQEVSTJZSA-N 448.931 5.108 0 40 IKAB CCCCCc1nn2c(Br)c(-c3ccc(Br)cc3)nc2s1 9934596 DSWRYFIJMFIPEE-UHFFFAOYSA-N 429.181 5.716 0 40 IKAB Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccccc4C(F)(F)F)c3)csc2n1 11768218 XEIYMFUNCKNXLA-UHFFFAOYSA-N 429.423 5.003 0 40 IKAB C[C@@H](Sc1nc(CC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12154862 GWGRUJXYLRSUCC-SNVBAGLBSA-N 432.899 5.329 0 40 IKAB CCc1ccc(NC(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 12250553 TYPDMDCELGMMNV-UHFFFAOYSA-N 442.588 5.252 0 40 IKAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 12535004 ODLFGKBQTRKFHJ-OAHLLOKOSA-N 436.606 5.877 0 40 IKAB COC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CC[C@@H](C)C3 12636441 GPIXJBHTCKHGDJ-LYTYMJBXSA-N 442.650 5.549 0 40 IKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)c1nc2ccccc2s1 12810108 JCDQLHLLVNIAJA-ZDUSSCGKSA-N 442.997 6.308 0 40 IKAB Fc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 13015630 DNYHUBMKKVFGIZ-RTWAWAEBSA-N 449.327 5.993 0 40 IKAB C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CCN(c5ccccc5)CC4)c23)C1 13031787 YCTJVLRHYIQBLV-SFHVURJKSA-N 441.604 5.205 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2CC)cc1 13871548 WZELMRMIGRFBFT-SFHVURJKSA-N 438.597 5.348 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 14128511 QZZUAJKSOQVUIY-UHFFFAOYSA-N 436.625 5.796 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4cc5ccccc5o4)c3)nc2c1 14270706 STTJAZBCEIZVRR-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 14360609 NRWXKNFNGGMSRJ-CALCHBBNSA-N 431.985 5.294 0 40 IKAB COc1ccccc1-n1c(SCc2cn3cccc(C)c3n2)nnc1-c1cccs1 15228395 YWWJFLGFQFCBTJ-UHFFFAOYSA-N 433.562 5.253 0 40 IKAB CCCCc1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3OC)n2)cc1 16047518 COJWNCCFQODLGO-UHFFFAOYSA-N 438.553 5.320 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196319 DWXYMQJGEIFKKB-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccccc1Cl 16576212 IHGJLFLSBDDMRD-FVFHPELPSA-N 440.027 6.622 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 16610708 GWIITDJOPKEIAB-INIZCTEOSA-N 448.950 6.988 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 16610851 FZDDAWRPLVVRLY-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 16692063 CIHJHGDPZRDHRW-UHFFFAOYSA-N 435.480 5.159 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)cc1 16739421 HUHOBYPMBGSPER-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccccc2C)c1 17096317 SDALWVIHNRETDM-UHFFFAOYSA-N 429.303 5.815 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3sc(C)nc3C)cc2N1 19520611 VMKOICLHAWCAAJ-VNQPRFMTSA-N 441.523 5.021 0 40 IKAB CC1=C(C(=O)OC(C)(C)C)C(c2cccc3ccccc23)C(C(=O)OC(C)(C)C)=C(C)N1 19594058 HXFAEYPHMBUBOO-UHFFFAOYSA-N 435.564 5.758 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)c(C)c1 19646411 ASAGIGKVLKBCLS-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19692224 LDHAFXSCFKRADC-DEOSSOPVSA-N 449.913 5.160 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4c(C)cc(C)cc4F)cc3n2)cc1 20611259 DSXRRWJZJJWXMJ-UHFFFAOYSA-N 432.499 5.065 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 21580683 SRLWEOGEIXAZRI-UHFFFAOYSA-N 443.890 6.404 0 40 IKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1Cl 22239282 UICBGFYKGOSCJE-UHFFFAOYSA-N 441.846 5.260 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(C)ccc2C)cc1 22275450 UTZOIGGPSNEDPH-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c(F)cc1F 22901153 XXNJUZAKOWINGG-UHFFFAOYSA-N 435.348 5.690 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 25277057 HUTWOIDNGWQXTJ-UHFFFAOYSA-N 440.887 5.009 0 40 IKAB C[C@]1(CCc2ccccc2)NC[C@H](c2ccc(Cl)cc2Cl)c2c1[nH]c1ccccc21 25480338 BHMUOSZNNXHPOJ-QFQXNSOFSA-N 435.398 7.058 0 40 IKAB COc1c2c(c(OC)c3ccccc13)[C@@H]1O[C@H]2[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]21 25694483 BPGDPTLAGQOQTD-LGYLPXCHSA-N 432.519 6.506 0 40 IKAB C[C@H](Sc1nc(N)c2c3c(sc2n1)C[C@H](C)CC3)c1nnc(-c2cccs2)o1 32741640 LJIHNCQMHZTZJI-ZJUUUORDSA-N 429.596 5.363 0 40 IKAB Cc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCc4ccc(Cl)cc4)nc32)cc1 32952652 CNFPGNMEJDMICV-UHFFFAOYSA-N 446.022 5.769 0 40 IKAB COC(=O)c1ccc(-c2nc3ccccn3c2Nc2ccc(C)c(Br)c2)cc1 35616346 DVDLQZVYMDLEKL-UHFFFAOYSA-N 436.309 5.602 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(Cl)cc3)cc2C)cc1 44842811 LTBAFEXJCMXFIA-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CC1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)C2)CC1 58196989 BHGSPNTVRZXXMN-FQEVSTJZSA-N 438.999 5.155 0 40 IKAB NC(=O)c1ccc(Cl)cc1OCC(=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 62696337 YPFTYRJRFBRPJV-UHFFFAOYSA-N 442.513 5.070 0 40 IKAB O[C@H](CN(Cc1ccccc1)Cc1cn(Cc2ccccc2)c2ccccc12)c1ccccc1 68605824 NBRSKIIOJFTWJD-WJOKGBTCSA-N 446.594 6.425 0 40 IKAB biogenic CCC(CC)c1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@@H]2c2cccs2)on1 72295253 QXMDTBJWOXBNJS-HSZRJFAPSA-N 440.565 5.445 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@H]2c3sc(=O)[nH]c3S[C@H](c3ccc(Cl)cc3)[C@@H]12 96306215 JPPPXYICMMZYFE-QLFBSQMISA-N 436.341 5.257 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)c1 223115418 JCPBMYCAQSZADH-PKTZIBPZSA-N 447.560 5.345 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 223130884 YJZLJTBOJUHVHO-NRFANRHFSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 223140575 MWHFQEMJXQCSPL-VWLOTQADSA-N 448.994 5.415 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223367999 SLRDRWUKAVKACI-SFHVURJKSA-N 449.422 5.486 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 223380628 NSMLAEAXGDWTMS-LOSJGSFVSA-N 430.621 5.788 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 223779688 YOTPJFRIBXHCFV-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 223849840 VHILDPHJSNQNPK-XZOQPEGZSA-N 446.963 5.408 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224005145 WIBXCFSBRTVRCM-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031219 FEHGQDMKVMOMJN-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(C)c1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 224092530 YRPVVRTYSTYXIJ-UHFFFAOYSA-N 442.968 5.194 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 224228686 WAMLOBSUDUMGFF-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)Oc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224563410 OUUPCRBZTHYBMC-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225014975 KYFJJUFLJMAPNJ-OALUTQOASA-N 447.044 5.214 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225364078 MNZVTKJHFIDNKR-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc(C)c1OCc1ccccc1 225552431 ANWUQVWTMUMSQW-UHFFFAOYSA-N 448.006 7.376 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225698593 XVFAYVQSTWHGOT-JTSKRJEESA-N 449.422 5.648 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1OCC(C)C 225754262 GAJSVPROUVQGLS-UHFFFAOYSA-N 439.552 5.357 0 40 IKAB COc1ccccc1OC[C@H](C)NC(=O)c1cccc(OCc2ccccc2Cl)c1 225780958 AUUSZWNHFDGKDC-KRWDZBQOSA-N 425.912 5.125 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2cccc(Cl)c2)o1 257215315 CPONJHAWEJIAHI-QHCPKHFHSA-N 431.923 5.834 0 40 IKAB Cc1cccc(CCN(CC(=O)O)C(=O)c2[nH]c3ccc(C)cc3c2-c2ccccc2)c1 257289378 PYISQDKBRQHOMX-UHFFFAOYSA-N 426.516 5.221 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408642105 NTTXGSRTGIJJDT-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1Cl 408657083 IJGVXBAONNTINO-LJQANCHMSA-N 447.962 5.933 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1Cl 408699650 VLDUAONPJXPHQA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408972929 HXWQMBHXDYQFRJ-DEOSSOPVSA-N 436.964 5.409 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc(Cl)c1OCc1cccc(C)c1 409017999 GYTCWLHTZGDPSC-FYJGNVAPSA-N 448.906 5.333 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC(Cc4cccc5cccnc45)CC3)CCOCC2)cc1 1848355678 DVYHJHWOTGFMDE-UHFFFAOYSA-N 428.576 5.073 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2Br)sc2nc(-c3cccs3)ccc12 660299 RXYZIWOESOZKBW-UHFFFAOYSA-N 448.342 5.761 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 675266 KMQXEBKRCFGTHL-AEFFLSMTSA-N 434.849 5.758 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 720528 FXVNSTZPSHWZMB-YADHBBJMSA-N 425.843 5.052 0 40 IKAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 797718 NNMLYVIUWAVSOI-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 919291 RZPAXJUQVLFKQV-YJBOKZPZSA-N 432.446 5.686 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccco2)cc1 1262816 NAFCCRFIHTVSAL-RUDMXATFSA-N 431.275 5.499 0 40 IKAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCc1cccc(C)c1 1341197 LOCXJYHBKKPTCN-UHFFFAOYSA-N 430.552 5.247 0 40 IKAB COc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 1353167 AODZVRYFWNHAKS-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB Cn1c(-c2ccccc2)c2cccc[n+]2c1Sc1n(C)c(-c2ccccc2)c2cccc[n+]12 1573021 YTAUSZONHWAAIG-UHFFFAOYSA-N 448.595 5.326 0 40 IKAB CC(C)[C@H]1Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 1778568 KSTMRQHRUNZJDQ-HXUWFJFHSA-N 448.613 5.837 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3nn(-c4ccc(Br)cc4)nc3c2)cc1 2137573 QFLZYWPXNWRRDD-UHFFFAOYSA-N 449.352 5.733 0 40 IKAB Cc1nnc(Sc2nc(Nc3ccc(C)c(C)c3)nc(Nc3ccc(C)c(C)c3)n2)s1 2185918 ZJKRMBZTFBTGHH-UHFFFAOYSA-N 449.609 5.904 0 40 IKAB CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCC3 2254632 YICBJLDEXYFQRT-UHFFFAOYSA-N 434.627 5.277 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1F 2256303 CSTQWRYBURWMPM-LEWJYISDSA-N 448.548 5.761 0 40 IKAB CCc1ccc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 2300763 JVCHKNMGWIJWKB-QGZVFWFLSA-N 435.531 5.209 0 40 IKAB CCCCn1c(N)c(S(=O)(=O)c2cc(Cl)ccc2Cl)c2nc3ccccc3nc21 2401579 QDGYJNCJCGMRJV-UHFFFAOYSA-N 449.363 5.106 0 40 IKAB COc1ccc(Sc2nc(SCc3c(Cl)cccc3Cl)ncc2OC)cc1 3133207 OLDOUOZJESQAJY-UHFFFAOYSA-N 439.389 6.244 0 40 IKAB CCCC1=C(C(=O)OC)[C@@H](c2ccc(Br)cc2)NC(=S)N1c1ccccc1 3339383 UDQHPMOLVINOKB-LJQANCHMSA-N 445.382 5.112 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)sc2c1 3655333 DNOYVTQLLKDWRL-UHFFFAOYSA-N 445.927 7.093 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2cn(Cc4ccccc4)c4ccccc24)N3)C1 4124950 YEDHIURUHGJSEK-DEOSSOPVSA-N 442.588 5.558 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@@H]1[C@@H](C)CCCC(C)C 5276917 VIXDHGDNWWEKMR-QDWYCOIZSA-N 430.632 8.203 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1cc(-c2ccccc2)nc2ccccc12 6017327 JXYNXVIPEQOLSR-UHFFFAOYSA-N 440.506 6.697 0 40 IKAB CCCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)cc1 7003017 XVOMRMATOFZMBB-UHFFFAOYSA-N 426.630 5.174 0 40 IKAB CCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 8437848 HJUIUDAWJVCNHU-UHFFFAOYSA-N 447.200 6.233 0 40 IKAB CN1C[C@@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@H](c2ccccc2)C1 8888307 GDBDLBPXGKPWAX-FCHUYYIVSA-N 426.343 6.314 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4ccc(C)cc4)cc3O)n[nH]c2C)cc1OC 9130748 XZLXSGCLFGSBHG-UHFFFAOYSA-N 430.504 5.662 0 40 IKAB O=C(Nc1ccc2ccccc2c1)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 9144867 RAXVNYDLFODQQD-LFVJCYFKSA-N 426.903 5.903 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)cc1OC 9243716 JBCUWDNNRZJBTC-RUZDIDTESA-N 443.478 5.291 0 40 IKAB Cc1ccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)cc1C 9347253 CXTRJZDIFXDYTF-UHFFFAOYSA-N 441.556 6.281 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 9410374 BGTQDQSOFJSZIH-UKRRQHHQSA-N 428.773 5.181 0 40 IKAB Cc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2ncnc3ccccc23)cc1 9414668 YQHUNLKAKYJZBD-OAQYLSRUSA-N 444.585 5.470 0 40 IKAB CN(Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)Cc1ccccc1N1CCCCC1 9515741 DWKNXAVCAMMHEK-UHFFFAOYSA-N 444.604 5.274 0 40 IKAB O=C(Nc1nc2c(s1)COc1ccccc1-2)c1ccc(-c2nc3ccccc3s2)s1 9640052 RXGVSYVPFOWLGI-UHFFFAOYSA-N 447.566 6.293 0 40 IKAB Cc1cccc(C(C)C)c1OCC(=O)Nc1ccc2c(c1)nc(CCN1CCCCC1)n2C 9927967 UWYRQKBMYATIHP-UHFFFAOYSA-N 448.611 5.051 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 9988988 GBOKYDFAABIVIS-UHFFFAOYSA-N 440.638 5.783 0 40 IKAB O=C(/C=C\c1ccccc1)Nc1cc(C(F)(F)F)ccc1OCCOc1ccccc1 11859667 MYLPKBQTAFWCRH-KAMYIIQDSA-N 427.422 5.815 0 40 IKAB CCC1CCC2(CC1)SC(NC(=O)Nc1ccccc1)=NN2C(=O)Nc1ccccc1 12419126 SQMFVRFNCONEHE-UHFFFAOYSA-N 437.569 5.657 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(-c2ccccc2)cc1 12681208 OPYCOBWZZMMPBS-INIZCTEOSA-N 433.508 5.512 0 40 IKAB COc1ccc(Oc2cc(N[C@@H](C(=O)NC3CC3)c3ccc(F)cc3)ccc2OC)cc1 12736882 GNALICIMPNJYNU-XMMPIXPASA-N 436.483 5.067 0 40 IKAB Cc1ccc(C(=O)N(CCc2ccccc2)Cc2ccccc2)cc1NC(=O)c1ccco1 12789562 LYMBXWHEXUBWJA-UHFFFAOYSA-N 438.527 5.725 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)c1cc2cc(Cl)ccc2o1 12795199 LLXPZMINYNZJIS-UHFFFAOYSA-N 427.888 5.794 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)c2)cs1 12799378 HZMLYGNMTCBKPQ-PMQIGOLDSA-N 444.560 5.107 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCC[C@H](c2nc3ccccc3s2)C1 12977454 ZZEPXDQQGKUUDT-LBPRGKRZSA-N 435.774 5.732 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)n1 13010499 DNXFOXQCHGTOLA-OAHLLOKOSA-N 439.972 5.836 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(Cc1ccccc1F)C(=O)c1ccco1 13025689 MTUFMKIVAWGBJJ-HSZRJFAPSA-N 438.474 5.000 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2nc(-c3cc(C)n(C[C@H]4CCCO4)c3C)cs2)c1 13058237 RZWSEOWCVUWWNK-LJQANCHMSA-N 439.581 5.042 0 40 IKAB Cc1cc(NC(=O)CSc2nc3ccccc3n2-c2ccccc2)n(-c2ccccc2)n1 13095494 DSTCWXXELZLUOJ-UHFFFAOYSA-N 439.544 5.250 0 40 IKAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 13164941 BWDDMWNBDVZVGT-UHFFFAOYSA-N 433.002 5.000 0 40 IKAB COc1ccc2c(c1)/C(=C1\N=C(c3ccco3)OC1=O)C=C(c1ccc(SC)cc1)O2 13693135 VTZGPCISRYNJSF-PYCFMQQDSA-N 431.469 5.158 0 40 IKAB CCn1c(COc2cccc(C)c2)nnc1SCC(=O)Nc1cccc2ccccc12 14122450 HQOXBOJRDPPKHH-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccccc3)ccc2Cl)c1 14153865 CZNLZIUGJZHKLT-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14271357 PGJOUDZOLKWJSI-UHFFFAOYSA-N 449.315 5.151 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3cccs3)nn2-c2ccccc2)cc1 15317793 FGXTVFCWYAXQHR-UHFFFAOYSA-N 444.560 5.335 0 40 IKAB CCc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 16328694 NZWURHFDRNXGFG-AWEZNQCLSA-N 426.567 5.166 0 40 IKAB CCCCN(CCCC)Cc1ccc(NC(=S)NC(=O)c2cc3ccccc3o2)cc1 16638733 JEFVTZPTVFMLGI-UHFFFAOYSA-N 437.609 5.962 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(OC)cc2)cc1 16788730 JXTZDFITSIZXRM-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)NCc2ccccc2)CCC3)c1 16806630 CMSUUYGQQYRTQJ-GOSISDBHSA-N 448.588 5.190 0 40 IKAB COc1ccc([C@@H](NC(=O)/C=C(\C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 17193740 PGOVFNZQZSMXCW-YOWPFKENSA-N 433.551 6.671 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(COc4ccccc4)o3)o2)c(Cl)c1 19929085 GUQANFLGFSBOFM-UHFFFAOYSA-N 435.292 5.298 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(OCC(=O)O)c(-c3nc4ccccc4o3)c2)cc1 20157861 UELVVJKLDACAHB-UHFFFAOYSA-N 444.487 5.508 0 40 IKAB O=C1c2cc3ccccc3nc2N[C@@H](c2ccccc2Br)N1c1ccccc1 20512642 YILDLHFXMBNLAO-JOCHJYFZSA-N 430.305 5.768 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(F)c1 21005636 VIPXDSAAGQJHFB-XMMPIXPASA-N 443.478 5.173 0 40 IKAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)N(Cc1ccccc1F)C1CC1 21758950 UXQQRFVHKFYOFI-UHFFFAOYSA-N 430.932 5.248 0 40 IKAB Cc1cccc(NCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)c1 22409547 FSNHICWVATYPHN-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Nc1ccccc1 24734403 SFBGVXBQWCSBTN-UHFFFAOYSA-N 428.319 5.448 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cc4nn(-c5ccccc5)nc4cc3C)o2)cc1Cl 26124224 GVOHSELKYQGLBP-UHFFFAOYSA-N 442.906 6.203 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2sc(COc3ccc4ccccc4c3)nc2C)cc1 27912754 BEGQXIVICVHPII-UHFFFAOYSA-N 445.588 6.282 0 40 IKAB CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccccc2)cc1 28047938 BBWJHXFDZLRWMJ-XMMPIXPASA-N 434.923 5.311 0 40 IKAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@@H](c2c(Cl)cccc2Cl)NC(=S)N1 28464955 VKIQYLCEWZFIMO-KRWDZBQOSA-N 440.783 5.387 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc3ccccc3c2)NC(=O)N1 32778212 YGEVUUZAOZODLV-HXUWFJFHSA-N 425.410 5.125 0 40 IKAB Cc1ccc(OCCOC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1 32910654 WTOARKSWTGIRNP-HSZRJFAPSA-N 437.923 5.132 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)cc1 33734968 PIPAJMGDICBGJL-UHFFFAOYSA-N 438.483 6.633 0 40 IKAB N=C1S[C@@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 34851829 MREHBNKRCIYRIK-TZIWHRDSSA-N 437.362 5.930 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C(c1ccccc1)c1ccccc1 38615679 DCEGQJKKXWCCED-UHFFFAOYSA-N 435.549 5.740 0 40 IKAB CSc1ccc(CN(C)C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)cc1 40115386 ZCBGOJQDMOUIGU-UHFFFAOYSA-N 428.941 5.488 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2)cc1 44086018 DMMZRJVNCKQYQB-UHFFFAOYSA-N 449.963 5.932 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1-c1nn2c(-c3ccoc3C)nnc2s1 67299887 NQLHXXHLYBQSSE-UHFFFAOYSA-N 431.304 6.296 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1Cc1ccccc1)C1CCCCC1 72215731 WQIXAQMZOFEMDC-DEOSSOPVSA-N 435.612 6.493 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 72229911 JKSLZFQEEHPTQR-QHCPKHFHSA-N 438.310 6.587 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cs1 72350056 SYBZYNCMPMVDKX-KRWDZBQOSA-N 445.510 5.481 0 40 IKAB 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](OC)CC(=O)O3)[C@H]21 77313028 OLSYISKGDWQZSZ-JJOHYTSISA-N 432.601 5.240 0 40 IKAB in-vitro O=C(NCCc1csc(-c2ccc(F)cc2)n1)c1ccc(C2SCCCS2)cc1 95976457 UFGXDMGNXYYWEQ-UHFFFAOYSA-N 444.622 5.790 0 40 IKAB Clc1ccc(COc2cccc(CNc3ccc(Cl)c(Cl)c3)c2)c(Cl)c1 107027363 BUWOZRSAYGJVEP-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccc(F)cc1 107027878 BEUFGQPIDSUPRW-UHFFFAOYSA-N 448.307 6.317 0 40 IKAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 108992039 BLQNJPBLLBUOTN-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB O=C(CCC(=O)Nc1cccc(C(F)(F)F)c1)Nc1ccc(Oc2ccccc2)cc1 199423544 YXPFWMQJYNAKDU-UHFFFAOYSA-N 428.410 5.855 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 222985198 VQZZTDOIYIIMDO-NBGIEHNGSA-N 430.548 5.591 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 223314113 WLXHMTARLDNJQJ-KCWPFWIISA-N 442.603 5.092 0 40 IKAB Cc1ccc(C)c(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 224028149 RWYFSYWGHAPODQ-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224054755 YOLLBZYFZPKWBQ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224083913 MWDRTFCMIPKXIW-IBGZPJMESA-N 434.555 5.244 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NCC(C)C)cc1 224176939 ADMFJJYIJZUQSX-JOCHJYFZSA-N 440.653 5.035 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccccc1 224178982 AVWJRCHSKCLYFV-FGZHOGPDSA-N 431.952 5.098 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1c1ccccc1 224179100 AVWJRCHSKCLYFV-YADHBBJMSA-N 431.952 5.098 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224454231 XCKYTAPPGPZSPK-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(Cl)c1 224486029 BBLYPWCLCHJJIC-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)SCc3ccccc3)cc2)cc1 224537199 CXSUQSVKJIGZDU-GOSISDBHSA-N 440.590 5.056 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 224565635 MTQIQTBVVKCUCC-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224674343 FEDYTXMZTPJNHB-QFIPXVFZSA-N 442.603 5.639 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224733235 WLSLXJLGUQRUGJ-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB O=C(NC1CCCCCC1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939886 WXYBDYAUCKZURH-UHFFFAOYSA-N 439.353 6.224 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc3ccccc3c2)N1C1CCCC1 225025416 KVCXLJVVIBZWBR-UIOOFZCWSA-N 438.600 5.941 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 225139189 LCUMSULBWHVOAV-LJQANCHMSA-N 447.044 5.464 0 40 IKAB COc1cc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)ccc1OC(C)C 225531053 BPMSANLGRNNFAJ-UHFFFAOYSA-N 432.895 5.641 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 225557571 KMHSGXQINKSJIU-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccccc2)(Cc2ccccc2)c2ccccc2)c(C)c1 225944406 OBDIXSYJIWZZJE-UHFFFAOYSA-N 435.567 6.366 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)c2ccccc2)c1 257207336 BHHNLIHDKANHCU-GOSISDBHSA-N 437.923 5.515 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257249201 JHGHOSIWAIHJPO-OAQYLSRUSA-N 437.543 5.310 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 408546565 FIZMAGHOBJZLRP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cc(Cl)ccc2Cl)o1)Sc1nc2ccccc2[nH]1 408632953 HZJCMPCZILHLOM-ZDLGFXPLSA-N 431.300 6.348 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1Cl 408696922 GGZWXTYHOBSZJA-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOC(=O)COc1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 408732262 QFGBAFCCOQOCAC-UHFFFAOYSA-N 428.488 5.361 0 40 IKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c1 408751484 ZXWCTUAPOODGHL-SNHGZMDHSA-N 432.570 5.209 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1 408786496 RGRVCBZZSSBKLL-DNQIBQKISA-N 434.517 5.115 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 408922681 GLWGRTLDZZOEOM-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1Cl 409011505 GVCVLOSOCAKLRD-AKGOGDBKSA-N 445.968 5.941 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1 409137816 WQYISJQXHJTVOF-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(OC)ccc4ccccc34)C2=O)cc1 409180827 VYGUUUKVNLWRHT-HYARGMPZSA-N 446.528 5.086 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OC)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409338079 CPTPJKCMPURZRM-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c(C)c1 409348167 RVMTUEOEUJVOQM-UHFFFAOYSA-N 435.380 5.445 0 40 IKAB Cc1ccc(CNC(=O)c2ccc3c(c2)Cc2cccc(c2)CN(C)CCCCCO3)cc1 643580175 PAGZCCMMKQAAFL-UHFFFAOYSA-N 442.603 5.510 0 40 IKAB COc1ccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 703724 GZIJERBGZJUSKF-JOCHJYFZSA-N 433.533 5.815 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 875394 ZSTRNZMSBKPVQR-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccc2c(c1)OCCO2 928730 QVOFYRMUYITPBU-UHFFFAOYSA-N 438.505 5.244 0 40 IKAB aggregator Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 969895 UGBBWRMDBUNWAC-RPWUZVMVSA-N 444.897 5.592 0 40 IKAB O=C(NC(=S)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccccc1 1746116 CENLDKGDWIBQFA-UHFFFAOYSA-N 449.626 6.030 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 2063119 KQACOWRGKRLJFR-UHFFFAOYSA-N 449.293 7.314 0 40 IKAB C[C@H](CNC(=O)c1ccc(-c2ccccc2)cc1)NC(=O)c1ccc(-c2ccccc2)cc1 2132947 DTUZAKNXYOTZLL-OAQYLSRUSA-N 434.539 5.569 0 40 IKAB CCC[C@H]1Cc2c(sc3nc(SCC(=O)c4ccc(Cl)cc4)nc(N)c23)CO1 2221631 FKGVRTNMPHVAFH-ZDUSSCGKSA-N 433.986 5.143 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2254024 QPEYPTRPRMVWMZ-GOTSBHOMSA-N 448.860 5.422 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1cccc(F)c1 2447520 DAWMOYMTRZKLLR-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCCCCCCCC3)cc1 2766415 XDZHIPSZELUVHN-UHFFFAOYSA-N 443.587 6.802 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccccc1C(=O)Nc1cccc2ccccc12 3095520 UVFBYYPQSUCYTQ-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB CC(C)Oc1ccc(CNCC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 5298088 BKLWWQLRSDDEMT-SANMLTNESA-N 430.032 6.425 0 40 IKAB C[C@H]1[C@@]2(c3ccccc3)[C@H](C(=O)c3ccccc3)N[C@H](c3ccccc3)[C@@]12c1ccccc1 5706566 JNDUYIVFABWMIF-ZJKAFWHBSA-N 429.563 6.108 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 6195959 MFIOYKDSEVRTRB-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 7543460 HSLLSRORIASHGO-OAQYLSRUSA-N 431.580 5.926 0 40 IKAB CC(=O)C(=S)NN(c1ccccc1)c1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 8685061 KVQJPSQDXLOQCN-UHFFFAOYSA-N 447.951 5.147 0 40 IKAB CN1CCC2(CC1)Oc1ccc(Cl)cc1[C@H]1CC(c3ccc(Br)cc3)=NN12 8717681 PPVMRAFAGPNXMY-LJQANCHMSA-N 446.776 5.068 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c(OC)c1 8756970 QXNKRMRGHZHVGL-UHFFFAOYSA-N 439.581 5.298 0 40 IKAB Cc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(-c2ccccc2)cc1 8872894 FYJAEEXFDRHQBK-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB Cc1cccc(-n2nc3c(c2NC(=O)Cc2ccc(-c4ccccc4)cc2)CSC3)c1 8909833 DECHBRVMLMLIKA-UHFFFAOYSA-N 425.557 5.776 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3cccc(OC)c3)c(O)c2)cc1 9129643 AYFXKIFFJBJLLG-UHFFFAOYSA-N 428.488 6.114 0 40 IKAB CCCn1c(-c2ccc(S(=O)(=O)N(CC)CC)cc2)cs/c1=N\c1ccc(C)cc1 9291748 DJBOPFGXNGHRJX-VHXPQNKSSA-N 443.638 5.198 0 40 IKAB Cc1ccc2nc(Nc3cccc(C(=O)Nc4ccc(O)cc4)c3)nc(-c3ccccc3)c2c1 9369239 VOFKISXHJMUFPB-UHFFFAOYSA-N 446.510 6.307 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3oc4ccc(C)cc4c3C)cc3sc(=O)oc23)cc1 9430752 MTEREPJQPANINB-UHFFFAOYSA-N 446.480 6.112 0 40 IKAB CCc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccc(OC)cc3)c(C)oc2c1 9484620 ZEMWXJNGBVMYMF-UHFFFAOYSA-N 443.499 5.357 0 40 IKAB biogenic CCOc1ccc(-c2cc(=O)c3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3o2)cc1 9660310 UVKDGWRWALLBLE-UHFFFAOYSA-N 441.527 6.409 0 40 IKAB biogenic O=C(CCc1ccc(-c2ccccc2)o1)Nc1nc(-c2ccc3c(c2)CC(=O)N3)cs1 9712182 ZGMPIQRZDQGJRX-UHFFFAOYSA-N 429.501 5.136 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc2ccccc2n(Cc2ccc(Cl)cc2Cl)c1=O 12338545 FGCLWPNKSQIXSL-UHFFFAOYSA-N 442.277 5.143 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCC3)c(C)n1CCc1ccc(F)cc1 12638478 NUSAWZWWFGWLDP-UHFFFAOYSA-N 425.525 5.077 0 40 IKAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)Cc1c(Cl)cccc1Cl 12643344 AZVLQDJHTPIJBL-UHFFFAOYSA-N 437.348 5.578 0 40 IKAB O=C(CSC1=N[C@H](c2ccccc2)C[C@H](C(F)(F)F)N1)Nc1ccc(Cl)cc1 12848136 BYHXSIPDCNVOCY-JKSUJKDBSA-N 427.879 5.033 0 40 IKAB COc1cc(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)c(OC)cc1Cl 12941897 UZHDXEBMHZMJMN-QHCPKHFHSA-N 442.968 5.005 0 40 IKAB Cc1ccc(C(=O)Nc2nc(-c3ccc4c(c3)CCCN4C(=O)C3CCCC3)cs2)cn1 13227234 IPZCKSLCMGASHD-UHFFFAOYSA-N 446.576 5.235 0 40 IKAB Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C 13800928 YSRJNBIZEHMUJG-RCZVLFRGSA-N 429.907 5.021 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)sc2c1 13940838 HQMVBYMWOOVPBH-UHFFFAOYSA-N 436.964 6.721 0 40 IKAB O=C(c1oc2ccccc2c1COc1ccccc1)N1CCN(Cc2cccs2)CC1 14138987 FQNHLLJHVVEOHN-UHFFFAOYSA-N 432.545 5.031 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN(C)Cc1csc(-c2cccs2)n1 14253283 BPOVFZPXSMNVSQ-UHFFFAOYSA-N 436.400 5.013 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 14272974 GGPHNBSKDAYCAG-UHFFFAOYSA-N 445.527 6.922 0 40 IKAB O=C(OCc1ncc(-c2ccc(F)cc2)o1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 14704442 GCKVRJBVOSOVEN-ZWKOTPCHSA-N 436.508 6.108 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2)cc1 15641657 SKFNLCJHVYGCGS-UHFFFAOYSA-N 426.904 5.184 0 40 IKAB Cc1ccc(C(=O)C[C@@H](c2ccc(Cl)cc2)N2CCN(c3ccccc3)CC2)cc1C 16311901 IOHRRUFKGABSJZ-SANMLTNESA-N 432.995 6.093 0 40 IKAB Cc1c(Cl)cccc1NC(=O)[C@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 18587213 VVKPJIIRWXPSRM-NSHDSACASA-N 425.863 5.730 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccccc3Cl)CC[C@@H]21 19369012 FSKBFJNJSSKAJW-FIXSFTCYSA-N 437.008 5.532 0 40 IKAB CCN(CC)Cc1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 19646488 NOLJJOSCKZOCHO-UHFFFAOYSA-N 447.604 5.234 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1 20046048 QPCFYQVZODWSIN-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB COc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)cc3)o2)cc1-c1ccc(CO)o1 20145398 PGKSRFHMPSKSIH-UKTHLTGXSA-N 433.435 5.499 0 40 IKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3cccc(F)c3)c(Nc3ccc(C)cc3)n2)cc1 21152986 TYPGRPMLGRZFHU-UHFFFAOYSA-N 441.510 6.280 0 40 IKAB Cc1cc(C)nc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1 26770838 OVLBQOXMHYBELL-HSZRJFAPSA-N 442.588 6.226 0 40 IKAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)c1cc(-c2ccncc2)nc2ccccc12 31264671 NSRZCEVIIUIMPO-NRFANRHFSA-N 425.488 5.107 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)cc(C)c3)sc2c1 33000796 HJJOPPGDLKKWSK-UHFFFAOYSA-N 441.622 6.019 0 40 IKAB Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)cc1 40155206 HGDPGGRZGXJFNZ-UHFFFAOYSA-N 439.537 5.084 0 40 IKAB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2ccc(Cl)cc2)s1 44087489 HNVSQJRQEFQBOJ-UHFFFAOYSA-N 441.969 5.083 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc(C)c1 45890921 LHCGKKMFJPHXFY-UHFFFAOYSA-N 426.152 5.225 0 40 IKAB Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)c(C(=O)N3CCC(C)CC3)cnc2n1 49005489 AEYXKHGHDHWTLS-UHFFFAOYSA-N 444.457 5.453 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)C2(CCCCC2)[C@H](C(N)=O)C(SCc2ccccc2)=N1 50012172 YHWUABHYGKGMLT-JOCHJYFZSA-N 447.604 5.297 0 40 IKAB O[C@@H](CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)c1ccccc1C(F)(F)F 60522698 CUCHOPPETTVJQM-LBPRGKRZSA-N 441.784 5.246 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)c(OC)c1 67258887 OLUVDVWOUGNYRV-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB Cc1c(-c2nc(-c3ccccc3Cl)no2)sc2ncn(Cc3ccccc3)c(=O)c12 67260418 DPTHTDXPIOKOSS-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB Cc1cc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@@H]2CCCO2)ccc1Cl 67293099 SZUGPFVRPGHIND-IFMSOTMUSA-N 431.319 5.189 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cc3ccc(Cl)cc3)n2)cc1 72358097 UUUFZKAJVSNXLD-DEOSSOPVSA-N 433.939 5.262 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72377082 GUMFJDFGQMQBQJ-QFIPXVFZSA-N 445.954 5.157 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@@H]12 96306216 JPPPXYICMMZYFE-ILXRZTDVSA-N 436.341 5.257 0 40 IKAB COc1cccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)c1 96324413 JAVMJIFPCNBKBA-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB O=c1nc2n(nc1-c1ccc(F)cc1)[C@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 101459251 GGBIKIVOKMALBV-OAQYLSRUSA-N 439.277 5.391 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@H]1C[C@@H]2CC[C@@H]1C2 101987108 ZEEBCJUOMAGHTR-PSBWJHGTSA-N 427.504 5.704 0 40 IKAB CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@]21C(=O)Nc1ccccc1 102747517 LCHKXPXWDLBGEY-LPPUWEFUSA-N 445.902 5.261 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccccc1C(F)F 107942637 AMWMONWJQXOZIK-UHFFFAOYSA-N 437.471 5.054 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl)Nc1ccccc1 108162288 NONIIYFJCKWKPI-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1OCc1ccccc1 108923667 VIIUQMKLZQHZST-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3C(=O)C[C@]12C 118928191 VHWDKHQGPSRJLD-FTQPTXJRSA-N 436.592 5.639 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(I)cc1)c1ccccc1 216348477 DPRNXJTZTMLKKQ-FQEVSTJZSA-N 427.285 5.119 0 40 IKAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C(C)(C)C)cc1 218800466 OAOGGEYJJPWRJB-INIZCTEOSA-N 442.606 5.337 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(Br)c1 218880323 HPYUEQSPZONQOC-UHFFFAOYSA-N 444.413 5.607 0 40 IKAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C)c1 222745796 DXJQQKCQGOSNOW-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 223342757 XLDGGMSAYKLENQ-DQEYMECFSA-N 442.588 5.314 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccccc2Oc2ccccc2)cc1 224106215 DSOSQEAXXBJHDR-MOHJPFBDSA-N 438.483 5.790 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1CSc1ccc(C)cc1 224337348 QYSPYLSXXDMIGW-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1COc1cccc(C)c1 224387753 SJJZBWMKVQNEBC-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224462493 RIFKEAKACVHDIX-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224518494 MQRQSBXVFNOSGJ-JOCHJYFZSA-N 447.044 5.153 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1cccc2ccccc12 224629830 RFYKASNFWYOXOH-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CC3)c2C)c(OC)c1 224799126 DUQIQSZUGPTIKZ-RPWUZVMVSA-N 448.592 5.029 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 224838318 IDAYEPOCBZOAKX-INIZCTEOSA-N 425.912 5.427 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224951009 RBUPOAYBHZMKDC-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)CSc1ccccc1 225099591 ZNLQCLVMXJJYRY-XMMPIXPASA-N 438.637 5.343 0 40 IKAB CSc1ccc([C@H](CC(=O)O)NC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1 225219086 AOEPYVGWIHVZHL-SFHVURJKSA-N 443.619 5.343 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225423520 SOIWMVNYJLOWQC-MOPGFXCFSA-N 447.044 5.197 0 40 IKAB Cc1ccc([C@@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225469704 PFCXGNYRWRWHCG-LJQANCHMSA-N 430.617 6.571 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c2ncccc12 225906933 RXUBZYVONITCPU-UHFFFAOYSA-N 428.617 6.466 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2cccc(Cl)c2)CC1 257284039 PAZZPJCYDVNOOL-UHFFFAOYSA-N 448.010 5.363 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(F)c2)cc1 408628252 VIBMXPWRWMKVSC-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 408655803 LQRINRQMINOOPY-VUEDXXQZSA-N 446.330 5.020 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C 408677107 AIECUBOZZHCXBS-MRXNPFEDSA-N 429.685 5.049 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)cc3C)n2)cc1 408695380 QGQSPIBACMLZCR-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccccc1 409091964 RYSBQGFKTLDQQI-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1 409116749 KDDGLZRJZLXLED-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cccc(COc2ccccc2C[C@@H]2SC(=O)N(Cc3ccc(F)cc3)C2=O)c1 409161839 QEWMUGGKPZFAQC-QHCPKHFHSA-N 435.520 5.520 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409338414 JMVREEXORZOVFB-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB O=C(COc1ccc(F)cc1)Nc1nnc(SCc2cccc3ccccc23)s1 702325 YEWWGKJSCOUNMF-UHFFFAOYSA-N 425.510 5.140 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c1 869080 USPWHPSMWLYNPJ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901298 LKOROUZPJCWFPJ-LSDHHAIUSA-N 443.494 5.621 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1NC(=O)Cc1ccccc1 928838 GHHLBHKKBXCYAI-UHFFFAOYSA-N 436.483 5.057 0 40 IKAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n12 929730 KTPHOYQVBJFKNN-UHFFFAOYSA-N 444.482 5.557 0 40 IKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 1366435 AYMGFGJJSOHZJE-UHFFFAOYSA-N 428.507 5.169 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385958 ZJCBEEARPWEQHE-AWEZNQCLSA-N 443.305 5.715 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3cccc(C(F)(F)F)c3)ccc12 1902783 PMHAKYLUTNGUKF-UHFFFAOYSA-N 438.445 6.598 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2256715 APOLUTSYWVMFMI-HXUWFJFHSA-N 432.501 5.015 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 2265921 JDQHBPWQKKQQIU-ACJLOTCBSA-N 448.589 5.029 0 40 IKAB COc1ccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)cc1 2353965 YQNOJXYVZLISTE-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB COc1ccc(/C=C/C(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC 2624882 JATDWXHHFNRLEE-FYWRMAATSA-N 444.556 6.308 0 40 IKAB Cc1ccc(OCc2ccc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)cc2)c(C)c1 2802948 LNABWKMEQTUGIP-UHFFFAOYSA-N 446.514 5.326 0 40 IKAB COc1ccc(-c2cc(C(=O)OCc3c(Cl)cccc3Cl)c3ccccc3n2)cc1 3316943 ARMSRSIUQQCNSL-UHFFFAOYSA-N 438.310 6.574 0 40 IKAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 3340575 BSNJVUZVWWSQJS-NSHDSACASA-N 426.851 5.059 0 40 IKAB O=C(OCC(=O)c1ccccc1Br)/C(=C/c1ccc(F)cc1)c1cccs1 3356999 AQDQRADCKLQTSC-SFQUDFHCSA-N 445.309 5.616 0 40 IKAB Cc1cccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)c1C 8757063 YVRJGBATSMKKEC-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB COc1ccc(CSc2nc3cc(Cl)ccc3n2[C@@H](C)c2ccccc2)cc1F 8779865 KDMWHMWIHMSLIM-HNNXBMFYSA-N 426.944 6.739 0 40 IKAB COCc1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 8851326 USEPZODYXCIZKF-UHFFFAOYSA-N 428.410 5.356 0 40 IKAB C[C@@H](C(=O)c1ccccc1)[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 8922925 PKJSCMUCXVTILM-IZHWHUGBSA-N 440.326 5.247 0 40 IKAB Cc1ccc(C)c(CSc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)c1 8937705 DMZXWLNZGHTPCY-UHFFFAOYSA-N 439.631 6.152 0 40 IKAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)CC1 9112184 RXNQATKRCAESDL-UHFFFAOYSA-N 438.502 5.776 0 40 IKAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)cc1 9116614 BRUQKJSWENFULS-UHFFFAOYSA-N 432.574 5.615 0 40 IKAB Cc1c([C@@H]2[C@@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 9307082 OCNHOKFBEGVRGQ-NAKRPHOHSA-N 436.599 6.558 0 40 IKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 9374693 ZVILGAXNYAHJKT-RUZDIDTESA-N 441.575 5.592 0 40 IKAB S=C(Nc1ccc(Br)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1 9391116 LSXHVMXYXQZAGH-LJQANCHMSA-N 446.801 5.706 0 40 IKAB O=C(Nc1cccc2cccnc12)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 9465024 LLGPWPVPHCWRDT-UHFFFAOYSA-N 443.937 5.003 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccccc1OCc1ccc(F)cc1 9594892 VAILGIRFJUCDQW-UHFFFAOYSA-N 435.455 5.100 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)c1 9751392 WFHSGRNVZGAMDN-UHFFFAOYSA-N 449.576 5.482 0 40 IKAB Cc1ccc(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)cc1C 9892744 RGQCMFMIAWAXEE-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)c4ccc(Cl)cc4)sc3n2)cc1 12250032 QUODKVJLKONJFI-UHFFFAOYSA-N 444.943 6.998 0 40 IKAB O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(OC(F)F)c(Cl)c1 12532681 REJOUOSWWVEECO-ORMMXULVSA-N 448.735 6.004 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1C 12565651 YVWKPLZTRKDYTD-UHFFFAOYSA-N 446.551 5.729 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 12634806 AWQPBPUIXBJIHO-AWEZNQCLSA-N 437.590 5.647 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)o1)c1ccc(-c2ccccc2)cc1 12681203 OPYCOBWZZMMPBS-MRXNPFEDSA-N 433.508 5.512 0 40 IKAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)cc1Cl 12758970 IYOCRXKIZOGQGB-QHCPKHFHSA-N 442.968 5.005 0 40 IKAB Cc1nc(C)c(C(=O)O[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 12823089 FHLWNZZDSRNFDH-KRWDZBQOSA-N 434.439 5.316 0 40 IKAB Cc1ccc(CCC(=O)Nc2nnc(SCc3c(Cl)cccc3Cl)s2)cc1 12993113 OMXYZTMAKCPVDG-UHFFFAOYSA-N 438.405 6.017 0 40 IKAB CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 13025552 KVLLHIGXAYZMAV-DEOSSOPVSA-N 432.520 5.125 0 40 IKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 13113325 UGRLMBAZYKNRDC-MRVPVSSYSA-N 431.361 5.185 0 40 IKAB CCCOc1ccc(/C=C/C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)cc1OCC 13129275 HUJKGVOAGRUULD-FMIVXFBMSA-N 436.504 5.354 0 40 IKAB CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC3 13507164 CAHGCLMLTWQZNJ-QPSCWZJHSA-N 426.729 8.479 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC 14132251 COXUSIAWLMRZBI-HZHRSRAPSA-N 433.529 5.874 0 40 IKAB Cc1c(C(=O)Nc2ccc(F)c(C(F)(F)F)c2)sc2nc(-c3ccc(F)cc3)cn12 15786523 HJLNVCNZVKLWGN-UHFFFAOYSA-N 437.393 5.921 0 40 IKAB COc1cc(CNC2CCCCCC2)cc(Br)c1OCc1ccc(F)cc1 16195511 GQQMNVAZQSXNSB-UHFFFAOYSA-N 436.365 5.988 0 40 IKAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1 16689079 DVKWDAIRHCTFKD-UHFFFAOYSA-N 425.912 5.306 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)c1 16902534 FOUORYHPPZDWAS-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)no2)cc1 19450708 VLHCQVLOEULYQD-LJQANCHMSA-N 439.556 5.000 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cccc4cccnc34)o2)cc1Cl 19646709 GTWMXIQNBYOJMQ-ZRDIBKRKSA-N 447.947 5.983 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccc(OC)cc3OC)c2)cc1 19691371 FJDCBCURHNKUMH-XMMPIXPASA-N 432.520 5.060 0 40 IKAB Cc1nc([C@@H]2CCCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 19703717 XALAHZUZAAUHQP-VWLOTQADSA-N 440.591 5.034 0 40 IKAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20459753 ARXZWIDUPRWYQG-JOCHJYFZSA-N 426.626 5.242 0 40 IKAB O=C(Nc1ccc(O)cc1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20718247 YLMMKFYZMFVVNC-XMMPIXPASA-N 426.516 5.083 0 40 IKAB COc1cc(CNCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22073681 HISWMWRSQADBNS-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNCCCN2CCOCC2)c(Cl)c1 22074116 LHMLZMBXHFNLRC-UHFFFAOYSA-N 443.802 5.038 0 40 IKAB CCCOc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1OCC 23100911 RSWFVHLQCBEDIC-XNTDXEJSSA-N 447.304 5.321 0 40 IKAB CCOc1cc(CN(Cc2noc(-c3ccc(Cl)cc3)n2)C2CC2)ccc1OC(F)F 24992539 GZLJJLUTHZTZGQ-UHFFFAOYSA-N 449.885 5.555 0 40 IKAB COc1cc(C(=O)N(Cc2cccc3ccccc23)c2ccccn2)cc(OC)c1OC 27662776 YIDOLWBJCRFCEK-UHFFFAOYSA-N 428.488 5.108 0 40 IKAB Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1ccc(Br)cc1 31848418 JPOFELATGOLTMZ-UHFFFAOYSA-N 431.293 5.058 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc2cc1Cl 32127628 WSXLWWHTTUQMNZ-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB CCCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026812 REJWUNZIKDUZIU-UHFFFAOYSA-N 437.503 5.589 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3ccc(Br)cc3)c3ccccc3C2=O)cc1 33665469 WYQRPLABCASZLK-PXLXIMEGSA-N 448.316 5.575 0 40 IKAB COc1cc2ccccc2cc1C(=O)OCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 33728976 CPHJASJZNVKNFE-UHFFFAOYSA-N 442.496 5.170 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(C)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 33746748 WYHCRVZIEIFJQQ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 35039643 UOQKIMZCLURQLW-HAKPAVFJSA-N 435.954 5.301 0 40 IKAB CC(C)C[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 35039646 UOQKIMZCLURQLW-DISPHTKASA-N 435.954 5.301 0 40 IKAB CCc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621748 XFURZZUHDYQHCY-UHFFFAOYSA-N 436.437 5.530 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)c1 57523173 LNXVBDBLMZWRPE-UHFFFAOYSA-N 449.576 5.536 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(CNC(=O)c2ccc(Br)cc2F)c1 58267438 RXIJJIOYSBVCBM-UHFFFAOYSA-N 442.288 5.162 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)o2)c1 59179517 SHFGREDPPXRIEA-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB COc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1OC 67261468 YFXLEVLJRBHMNX-UHFFFAOYSA-N 445.910 5.227 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 72032908 OUEWIPPYMIGYSS-UHFFFAOYSA-N 442.853 5.006 0 40 IKAB C[S@@](=O)C[C@H](Nc1ncnc2cc(-c3ccc(Cl)cc3)sc12)c1ccccc1 83990089 SYQUHSZXRHZGGI-JMQGSBJISA-N 427.982 5.543 0 40 IKAB COc1cccc(-c2ccc3nc(C4CCN(C(=O)CCC5CCCCC5)CC4)nn3c2)c1 96155778 BFDGEMRSEABJMZ-UHFFFAOYSA-N 446.595 5.471 0 40 IKAB O=C(NCCc1ccccc1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344379 QPTMZQKPNBVKSD-VWLOTQADSA-N 442.559 5.081 0 40 IKAB CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 100857901 FNIIDLFBVQRTOZ-OCEACIFDSA-N 447.629 6.871 0 40 IKAB COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)O 102403116 NPOSEQSFOMKTER-ZULIPRJHSA-N 449.528 5.040 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(Cc3nc4ccccc4[nH]3)[C@H](c3ccccc3)C2=C(O)C1 102667854 ACFXPWMTCACFQC-MUUNZHRXSA-N 448.570 7.029 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Br)c(Cl)c2)CC1=O 103718984 RTNRTOKWBMNGJX-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(OCCSc3ccccc3)cc1)CC(C)(C)O2 219265487 YJIMGEJBRJPOHE-XMMPIXPASA-N 447.600 6.198 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 222489520 QEAPSNNESNBCSC-HSZRJFAPSA-N 445.003 5.139 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222896402 BZJZWBYIBMKZOS-IBGZPJMESA-N 426.576 5.214 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccco1 223337365 GDUUWVWIQRZHCY-VXKWHMMOSA-N 434.952 5.291 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)OC(C)C)ccc2Nc2ccc(F)cc2)cc1 223422721 YDGKGQCULDUQOZ-UHFFFAOYSA-N 442.512 5.244 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 223511665 LCNYJCNXWZEJLM-MRXNPFEDSA-N 442.968 5.194 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccc(C)cc1 224470483 REQYXVAREZATGH-UHFFFAOYSA-N 443.587 6.068 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(N2CCCC2)cc1 224919487 ZUAITFHFXVSCAO-UHFFFAOYSA-N 425.326 5.220 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225198084 RQAYHWXNSCHWGO-MOPGFXCFSA-N 447.044 5.295 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccccc3OC)cs2)cc1 225250539 ZOSWQRSVMDZDNJ-DEDYPNTBSA-N 439.562 5.092 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@@H](Cc2nc(-c3ccccc3F)no2)C1 225539506 SFMYVSQOBPZXJN-INIZCTEOSA-N 448.473 5.105 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225587293 BGUQJYOUIGHVPE-QFIPXVFZSA-N 444.978 5.418 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccc(C)cc2)(c2ccccc2)c2ccccc2)c(C)c1 225937751 KJPBHZRJKXKMJS-UHFFFAOYSA-N 435.567 6.480 0 40 IKAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 260833527 XQWZMEHORIKUKF-WBVHZDCISA-N 447.804 5.292 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408555783 IJYSRTYBONNFJZ-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1cc2c(ccc3ccccc32)o1 408629683 GFHUMFOSNJAAFZ-UHFFFAOYSA-N 442.496 5.639 0 40 IKAB O=C(O)/C(=C/c1ccc(Sc2nc3ccccc3[nH]2)o1)Sc1nc2ccccc2o1 408632659 GMZLLRIDTHLGIV-BOPFTXTBSA-N 435.486 5.666 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)c1 408648469 YFVMSURMDIJPDL-HXUWFJFHSA-N 442.559 6.076 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)cc1 408698164 LPXFDFLBEKDFIH-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB O=C(NCCC1=CCCCC1)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408980058 UEIBSINZDHONIO-UHFFFAOYSA-N 426.524 5.632 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)C1=O 409056407 DMVJBAQNNJCERK-JCMHNJIXSA-N 425.550 5.809 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccccc1Cl 409058301 NOFCKPICNUVUCQ-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)c2ccccc21 409118472 QLWZGSAZQZTUIE-WQRHYEAKSA-N 442.317 6.619 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccc(Cl)cc2)cc1 409378101 LVBKIYWWVAKOHI-NRFANRHFSA-N 440.952 5.687 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)c1 409412204 UAJZZEVEOFZSJQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C1C=CC(=O)N1c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1911925526 NWLXXGBCCOHABM-UHFFFAOYSA-N 427.503 6.123 0 40 IKAB COc1cc([C@@H]2Sc3ccccc3N=C3c4ccccc4CC[C@H]32)cc(OC)c1OC 723899 DAJBAAQACVTYSQ-BCHFMIIMSA-N 431.557 6.243 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 850292 PYHBDWUFISHXOJ-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3N2)cc1 867142 UVRJMJHLNDFLMU-ROUUACIJSA-N 448.876 6.066 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)c(Cl)c3)cc12 1797714 LPXAFVJPFPOLFH-UHFFFAOYSA-N 441.310 7.162 0 40 IKAB biogenic O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccccc3Cl)cc2o1 2119756 IFXQTEMFZNKQPT-UHFFFAOYSA-N 430.843 5.799 0 40 IKAB biogenic CCOc1cc(/C=C2\N=C(c3ccc(Cl)c(Cl)c3)OC2=O)ccc1OC(=O)C(C)C 2137562 VEMDIKZVZHOCBV-MFOYZWKCSA-N 448.302 5.298 0 40 IKAB COc1ccc(N[C@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2300340 RDBHDOJRMHZTDB-SANMLTNESA-N 445.455 7.157 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCCC(C)C)n(Cc4ccccc4)c(=O)c23)CO1 2372452 KYHGPBBUFUSHTR-XMMPIXPASA-N 442.650 5.886 0 40 IKAB CC(C)OP(=O)(OC(C)C)[C@H](Nc1ccccc1)c1ccc(Br)cc1 2379829 UGNBPKCZFUMXHW-IBGZPJMESA-N 426.291 6.603 0 40 IKAB Cc1cc(Br)cc(Cl)c1OC(=O)Cc1coc2ccc3ccccc3c12 2630346 RBHCAFSAXUQEDG-UHFFFAOYSA-N 429.697 6.458 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2753085 WZGBERRYPDPSMZ-UHFFFAOYSA-N 445.360 6.787 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(Br)ccc2Cl)sc(C)c1CC 3259980 WAWHTERTQMWQOH-UHFFFAOYSA-N 430.751 5.464 0 40 IKAB Fc1ccc(N2CCN(c3nc(-c4cccnc4)nc4sc5c(c34)CCCC5)CC2)cc1 3330108 VRNZKRWVOQUDDA-UHFFFAOYSA-N 445.567 5.098 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 3421918 MMAUWLFWZZZLGH-UHFFFAOYSA-N 448.979 6.016 0 40 IKAB CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]21C 4546796 DOMWKUIIPQCAJU-UQSTXUIISA-N 428.613 5.970 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc([C@@H](C)CC)cc2)sc2c1CCCCCC2 5949846 LZNFLLAQQJGKMY-INIZCTEOSA-N 444.666 6.906 0 40 IKAB CC1=CC(C)(C)N(C(=O)/C=C/c2ccccc2)c2ccc(OC(=O)/C=C/c3ccccc3)cc21 6461744 IIFVKEOOJCVEJF-JSAVKQRWSA-N 449.550 6.547 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCc3csc(-c4ccccc4)n3)n2N)cc1 8704434 FUVOGMICQCJKRM-UHFFFAOYSA-N 437.594 5.110 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4cncc(Br)c4)ccc3o2)cc1 8902990 RPXNNQHKQXYNHJ-UHFFFAOYSA-N 436.309 6.028 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 8919410 GAIVYZOUHFMQQQ-UHFFFAOYSA-N 432.545 6.403 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)Cc3cccc(Cl)c3)ccc2Oc2ccccc21 8961175 RPSBQLSBKKBCHI-UHFFFAOYSA-N 442.924 5.054 0 40 IKAB COc1ccc(-c2nonc2NC(=O)c2sc3cc(C)ccc3c2Cl)cc1OC 9129809 UMDSHHRTFQTUIB-UHFFFAOYSA-N 429.885 5.183 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(NC(=O)c3ccc(C(C)(C)C)cc3)s2)cc1 9364171 LGSLBUWGUXTKGI-UHFFFAOYSA-N 440.594 5.127 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 9444028 MNDCZJXVRLICBF-IBGZPJMESA-N 436.537 5.234 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1cccc2ccccc12 9569286 VZLXBCSNBPPGBB-UHFFFAOYSA-N 448.569 5.295 0 40 IKAB Cc1ccc(Cn2c(=O)n(-c3ccc(C)c(C)c3)c(=O)c3c4c(sc32)CCCCC4)cc1 9615486 WMYXOAYPXIFNPT-UHFFFAOYSA-N 444.600 5.456 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)Nc3ccccc3C(C)(C)C)s2)cc1 9672655 UVNGRQOXLUHPEH-UHFFFAOYSA-N 428.583 5.319 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc1 9707761 SEQUIIBFPXZBFB-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB CC[C@H](c1nnc(SCc2ncc(-c3ccccc3)o2)n1Cc1ccccc1)N(C)C 9820146 GZNCVSCKWNPSCK-HXUWFJFHSA-N 433.581 5.286 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(C[C@@H](c3ccc(F)cc3)c3ccco3)o2)cc1 12389585 MIZUIJDVHFLPBR-IBGZPJMESA-N 437.496 5.216 0 40 IKAB O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1Cc1ccccc1)CCCC3 12650643 YHCIZKDALCEHHO-UHFFFAOYSA-N 448.613 5.556 0 40 IKAB CCc1ccc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)cc1 12789162 GJLJCMQMHSYOCU-UHFFFAOYSA-N 444.516 5.799 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 12823241 KOQLDQPMWMQBOR-UHFFFAOYSA-N 442.374 6.076 0 40 IKAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)cc1 12861199 DADHACSINYINTK-URXFXBBRSA-N 438.980 5.143 0 40 IKAB Cc1ccc(-c2csc3nnc(SCC(=O)Nc4cccc(Cl)c4Cl)n23)cc1 12878631 UADQPMCQJVGWGR-UHFFFAOYSA-N 449.388 5.804 0 40 IKAB COC(=O)c1ccc(CNC(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 13001326 UTWPLZPFYDARRN-UHFFFAOYSA-N 425.569 5.023 0 40 IKAB Cc1nc(-c2cccc(Br)c2)ccc1C(=O)N(C)Cc1ccccc1Cl 14183380 PPOJYXYFIBWXTO-UHFFFAOYSA-N 429.745 5.745 0 40 IKAB COc1cc([C@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)cc(OC)c1OC 15081535 WBJWGQWQPZMTAG-CQSZACIVSA-N 439.489 5.263 0 40 IKAB Cc1ccc(C(=O)N[C@@H](Oc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 16291967 MFJQTHQZLOJMHS-HNNXBMFYSA-N 437.548 5.263 0 40 IKAB Clc1ccc(COc2ccc(CNCCc3c[nH]c4ccccc34)cc2)c(Cl)c1 16525350 JOGJLJOUUIIPQG-UHFFFAOYSA-N 425.359 6.386 0 40 IKAB CCOC(=O)c1csc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)n1 16956884 HALKNDOFYAVTDV-LJQANCHMSA-N 446.359 5.982 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17101846 SNMZZBLTZFGLGU-MRXNPFEDSA-N 437.996 5.999 0 40 IKAB Cc1cc(Cc2ccccc2F)cc(C2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2)n1 19691835 UCDAVVWTEGCWCW-UHFFFAOYSA-N 446.501 5.155 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccccc2Cl)c2c[nH]c3ccccc23)cc1OC 20899469 XSHSTPVXZKDABF-HXUWFJFHSA-N 448.950 5.791 0 40 IKAB Cc1c(C(=O)NC(Cc2ccco2)Cc2ccco2)oc2ccc(Br)cc12 27794681 KFBHRYDLOPPORK-UHFFFAOYSA-N 428.282 5.274 0 40 IKAB O=C(CSc1nc2ccccc2n1C(F)F)Nc1ccnn1Cc1cccc(Cl)c1 29530290 OAYGWBWSOWWLFZ-UHFFFAOYSA-N 447.898 5.060 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)cc1 32624337 JJRYGBODEKZDIW-VWLOTQADSA-N 429.564 5.096 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 33737167 CZCGDHJYZMZMEI-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB COc1ccc(CN(C[C@@H]2CCCO2)C(=O)c2ccccc2-c2ccccc2)cc1OC 35314815 PONFQCMWRZLMAI-QFIPXVFZSA-N 431.532 5.192 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)CSc1cc(Cl)ccc1Cl 35544355 OGWPBRLXWMQHMA-UKPHBRMFSA-N 433.397 5.633 0 40 IKAB COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4ccc(OC(F)F)cc4C)c23)cc1 36619236 YMQQFVMZNNCXSA-UHFFFAOYSA-N 439.418 5.369 0 40 IKAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1nc(-c2ccccc2)n2c1CCCCC2 37176552 CMXYEKMAEPELHY-UHFFFAOYSA-N 425.479 5.150 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)Nc2ccc3[nH]c(C(C)(C)C)nc3c2)cc1 40051590 UPPUODAHMBZLRP-UHFFFAOYSA-N 434.569 5.119 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Br)c(Cl)c1 59472957 ACCJLRDKVZJRJI-UHFFFAOYSA-N 449.595 5.737 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3s2)c2ccccc2)cc1 59842715 JQUJRMKBFJXIEB-OAQYLSRUSA-N 448.569 5.945 0 40 IKAB C(=C/c1nc(N2CCC(n3cncn3)CC2)c2c3c(sc2n1)CCCC3)\c1ccccc1 62582332 PSJYNRPFONQXBQ-ZHACJKMWSA-N 442.592 5.174 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc(Cl)cc2)cc1 67259568 HAHHDYJYGVIFGX-UHFFFAOYSA-N 449.019 6.688 0 40 IKAB CN(CC(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C(=O)c1cccs1 72276903 RZZAVCIFPWIPBR-UHFFFAOYSA-N 433.558 5.249 0 40 IKAB C/C(=C/c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 72330494 LXPNMDMFGKXEDV-BRADBXSVSA-N 439.603 5.677 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)Nc3ccc(CN4CCCC4)cc3)sc3ccccc23)C1 72352628 UBZDXKCLXKMAAE-FQEVSTJZSA-N 447.604 5.085 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1cccc(-c2ncc[nH]2)c1 84572929 HMQPSYYTUJZXPK-VAWYXSNFSA-N 437.528 5.643 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NCc3ccccc3)s2)c(C)n1Cc1ccco1 89577958 CZANJAWASSBAGH-UHFFFAOYSA-N 438.578 5.185 0 40 IKAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465140 FFCKGSXQSWBTLQ-PNHOKKKMSA-N 438.959 5.326 0 40 IKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Oc2ccccc2)c1 102522062 USAUPWUYKBQSBO-XMMPIXPASA-N 431.532 6.486 0 40 IKAB Clc1ccc(-c2c(-c3ccccc3)s/c(=N\c3ccccc3)n2-n2cnnc2)cc1 107622979 CDNHZMGPFRTUGD-VYIQYICTSA-N 429.936 5.672 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223780034 ZOAXGESRCNKWFW-DNQXCXABSA-N 426.545 5.058 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc2c(c1)OCO2 224034128 VPAYFEZBXIIUIL-ZEQRLZLVSA-N 446.576 5.294 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)c1 224295087 RRZJQQUURUQCID-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1 224295991 CFVUTNGJKPLUJG-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224440974 FHTUSXBZUJRNMJ-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(C)cc1 224662408 AICQNEWUAKABLX-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 225150447 IEGUEZDPOOEWAV-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 225157792 RLQVVTHBYNDDKJ-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCC4)cc3)CCCC2)cc1 225531924 HECUJOPOWHOSAP-UHFFFAOYSA-N 436.596 5.401 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)O2 225682299 RXYCHNJBWTXEQB-INIZCTEOSA-N 444.906 5.956 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 226349069 CAJRVPHJQJLKBI-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1c2ccccc2S[C@@H]2C=CC=C[C@H]21 408541642 COGSWSAWRYPUAH-SJLPKXTDSA-N 430.392 5.543 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c(Cl)c2)cc1 408558723 VILUMVBUGYWORW-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB COc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Br)cc1 408572154 FKZTWQQXGFARKG-UHFFFAOYSA-N 432.339 5.095 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)NC(=O)c1ccc(Cl)c(Cl)c1 408597180 YDQXTSMKNBHQSW-UHFFFAOYSA-N 432.170 5.500 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(Cl)c3)c3ccccc3n2)cc1 408663592 ANAGNRHKFYRDFB-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4Cl)c3)C(=O)[C@H]2C1 408675159 AEIRVMHAQANUMA-CVEARBPZSA-N 429.303 5.091 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)cc1 408699249 SKIXUFMAYMZTIG-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C 408979092 LFCUZGPHZVOBJY-UHFFFAOYSA-N 440.528 6.576 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1 409002374 NLOVSLSOZVPSDI-DEOSSOPVSA-N 446.547 5.402 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)N[C@H]2CCCC[C@@H]2C)o1 409004951 CNBRJIFEBMQKEA-HUBLWGQQSA-N 444.384 5.303 0 40 IKAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409173912 PADYUOPNWOLTCR-UHFFFAOYSA-N 434.605 5.844 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C/c1cccc(OCc2cccc3ccccc23)c1 409180317 WFKBXKLRORHZGM-MFKUBSTISA-N 439.898 6.417 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2Cl)cc1 409194247 IPRJCQBHNWYLJI-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccn2c(CN3CCC[C@@H](c4cccc(Nc5ncc(C)s5)n4)C3)c(C)nc2c1 585262678 SCPWBNVNAZZQKU-LJQANCHMSA-N 432.597 5.234 0 40 IKAB COc1ccc2oc(C)c(C(=O)N3CCCCCCCN(C(C)=O)c4ccccc4C3)c2c1 643553363 OKLIWIWXAXIJAU-UHFFFAOYSA-N 448.563 5.709 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccccc5Cl)o4)C3)[nH]c2c1 1848353257 REMWCGQKJPXESM-IBGZPJMESA-N 433.939 5.728 0 40 IKAB S=C1NC(c2ccc(Cl)cc2)=C[C@@H](c2cn(-c3ccccc3)nc2-c2ccco2)N1 642603 TXIQSROKADLIEY-FQEVSTJZSA-N 432.936 5.346 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(C)ccc2C)cc1 827568 FRQQYKLALGUUBS-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 863709 HHCKGBGUFQDXPA-UHFFFAOYSA-N 428.561 5.151 0 40 IKAB Cc1cccc(COc2ccc3c(=O)c(Oc4cccc(C)c4)c(C(F)(F)F)oc3c2)c1 1770044 NSDHDWAKSFNZLK-UHFFFAOYSA-N 440.417 6.800 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1cc(OC)ccc1OC)Nc1ccccc1-2 2084619 IYLUZBNVKYQCCQ-NRFANRHFSA-N 438.553 5.341 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccccc4)c23)CO1 2218699 KYJWRVQLQCESGW-NRFANRHFSA-N 430.620 5.630 0 40 IKAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccccc3Br)cc12 2279658 ZTNWXYUEKYNQHK-UHFFFAOYSA-N 430.298 5.128 0 40 IKAB Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)C[C@@H](C(C)(C)C)CC3 2292430 HKBSCKUBGZACEN-HNNXBMFYSA-N 438.622 5.086 0 40 IKAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1-c1nn2c(-c3ccccc3)nnc2s1 2685701 UKJBRPCEGKRHAI-UHFFFAOYSA-N 427.316 6.395 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1 2688285 CEKDXKYBEWDRFJ-UHFFFAOYSA-N 425.463 5.470 0 40 IKAB Cc1ccc(C(=O)C[C@H](Sc2ccccc2N)c2c(Cl)cccc2Cl)c(C)c1 3180658 DWIRTUNHDARDTC-QFIPXVFZSA-N 430.400 7.299 0 40 IKAB CCCc1ccc(C(=O)[C@@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 3287083 QZZSRXLHZYENMZ-LJQANCHMSA-N 442.584 5.761 0 40 IKAB COc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2cccc(C)c2)cc1 3330393 QUUPRFNMXMMTTQ-UHFFFAOYSA-N 431.561 5.731 0 40 IKAB Cc1ccc(N[C@@H](C(=O)Nc2ncc(Cc3ccccc3Cl)s2)c2ccccc2)cc1 3346352 NMQQOXAORYZKNG-HSZRJFAPSA-N 447.991 6.488 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 3353158 CHIONMUEFUIDGE-UHFFFAOYSA-N 432.951 5.098 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)cc2OC)sc2c1CC[C@H](CC)C2 3354411 IRUILIXDVIGCHG-RZXPCSSPSA-N 443.565 5.109 0 40 IKAB COc1ccc(CC(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC 3402104 NLYSFYWOGMLTCU-UHFFFAOYSA-N 432.545 5.838 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 3655498 XMABQDXMLZOPTQ-LJQANCHMSA-N 427.500 5.995 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 3883009 MVMDECIMXWXGAN-KDOFPFPSSA-N 448.589 5.029 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@H]5[C@@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 4074094 XGDVSJLOTVQNKY-GGTRGPLXSA-N 440.712 7.446 0 40 IKAB biogenic O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237418 CSTNUKMHPDFSAZ-PKOBYXMFSA-N 441.556 5.381 0 40 IKAB biogenic,in-vitro Cc1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1C 6079059 LTWAOLICHRUGER-UHFFFAOYSA-N 425.554 5.294 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 8479559 XVUCDWDLMKVKNY-QHCPKHFHSA-N 428.576 5.005 0 40 IKAB CCn1c(SCc2ccc(OC)cc2)nnc1-c1cc2c(s1)-c1ccccc1CC2 8781771 XGIVDEVBUGMMRN-UHFFFAOYSA-N 433.602 6.093 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)CC34CC5CC(CC(C5)C3)C4)sc2c1 8904264 WWUADYOWRDTSDI-UHFFFAOYSA-N 426.582 5.798 0 40 IKAB CCOc1cccc2cc(C(=O)N(CCCN(C)C)c3nc4ccc(F)cc4s3)oc12 8960157 AVMGAINXTLAUJV-UHFFFAOYSA-N 441.528 5.179 0 40 IKAB Cc1ccc(C)c(COc2ccc(-c3nc(N)ncc3-c3ccc(Cl)cc3)c(O)c2)c1 9130205 ZPTQCQARTKAEJD-UHFFFAOYSA-N 431.923 5.948 0 40 IKAB biogenic Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 9161208 DYEPWKAMRLMCNQ-JOCHJYFZSA-N 430.891 5.516 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1ccco1 9217955 QGFDOJBTPSDHML-CQSZACIVSA-N 430.961 5.104 0 40 IKAB CCC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9260684 MLMHDZBKCZRBEA-HSZRJFAPSA-N 440.572 5.997 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 9307764 KDGFEYANIOMHDO-HHHXNRCGSA-N 449.566 6.239 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Br)cc1F 9363927 IVZDVVIIDDWCSW-UHFFFAOYSA-N 448.313 5.746 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1)c1cccs1 9463026 MXIQATQUZXLMRA-HXUWFJFHSA-N 448.544 5.139 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1Cc1ccccc1Cl 9464574 XZWLNBOCSHBIEA-UHFFFAOYSA-N 441.000 5.585 0 40 IKAB Cc1ccc(Nc2nc(NCCCOC(C)C)nc3c2cnn3-c2ccccc2)cc1C 9573526 ZNZXJRYDXYFKQN-UHFFFAOYSA-N 430.556 5.403 0 40 IKAB COc1ccc(-c2csc(N3N=C(C)C[C@@H]3c3cc(OC)c(OC)c(OC)c3)n2)cc1 9575726 OFNFBAQPOXETKG-LJQANCHMSA-N 439.537 5.172 0 40 IKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3cc(Cl)ccc3Cl)co2)n1 9739636 CZWYEXUSJBRQLB-UHFFFAOYSA-N 428.318 5.223 0 40 IKAB Cc1ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c1C 11155876 XDCONSAKHFZISV-LBPRGKRZSA-N 441.405 6.107 0 40 IKAB COc1cc(OC)c(C2=CCN(C(=O)c3ccccc3-c3ccccc3)CC2)c(OC)c1 11918259 SADYDMKBASHCSO-UHFFFAOYSA-N 429.516 5.309 0 40 IKAB COc1ccc(Cl)cc1CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 12136167 JDWVURRSYYAUCI-UHFFFAOYSA-N 443.016 5.267 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1cc(Br)ccc1Cl 12285117 IRKRPGVBDJNYTQ-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12409669 IBTZFDWWZVSNRP-UHFFFAOYSA-N 430.932 5.035 0 40 IKAB Fc1ccc(COc2ccc(-c3noc(COc4c(Cl)cccc4Cl)n3)cc2)cc1 12428414 TUNWUTCEEKZKOW-UHFFFAOYSA-N 445.277 6.341 0 40 IKAB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1ccc(F)cc1F 12535203 NTBVPLSTFAFGKX-UHFFFAOYSA-N 433.487 5.568 0 40 IKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)cc2OC)c2c(C)oc(C)c12 12659424 NVWUMCPCUPNKFE-LHLOQNFPSA-N 435.545 6.426 0 40 IKAB biogenic CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CCc1ncc(-c2ccc(F)cc2)o1 12767038 AJDROTXNXOUESX-UHFFFAOYSA-N 438.886 5.985 0 40 IKAB O=C(Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1)C1(c2ccc(Cl)cc2)CCC1 12785556 YRZUSZPQLWZIRZ-UHFFFAOYSA-N 438.934 5.524 0 40 IKAB Cc1sc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)nc1-c1ccc(Cl)cc1 12786663 BFKDOZXLTXBFSI-MRXNPFEDSA-N 425.941 5.302 0 40 IKAB O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1cc(F)ccc1F 12901982 AZKHUOZFCRODLV-UHFFFAOYSA-N 425.309 5.039 0 40 IKAB Cc1cc(-c2csc(NC(=O)COc3ccc(Cl)cc3)n2)c(C)n1C[C@H]1CCCO1 13041276 CRXBFUTZIRKBIV-GOSISDBHSA-N 445.972 5.078 0 40 IKAB Cc1ccccc1N1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 13041759 DKLQISGISRIYND-UHFFFAOYSA-N 436.640 5.577 0 40 IKAB COc1ccc(CN(C(=O)c2cc3sccc3n2C)C2CC(C)(C)NC(C)(C)C2)cc1 13083086 HWZHUPNBABSTRU-UHFFFAOYSA-N 439.625 5.200 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)o1 13116110 LPYISSNPSUTUHJ-UHFFFAOYSA-N 437.521 5.207 0 40 IKAB Fc1cccc(NC(=S)N2CCN(C3=Nc4ccccc4Oc4ccccc43)CC2)c1 13721230 IIXNIMRACHUVMO-UHFFFAOYSA-N 432.524 5.024 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 13803926 GPRDVIMQXKTRTI-UHFFFAOYSA-N 432.549 5.188 0 40 IKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cccc1-c1nc2ccccc2s1 16250071 OHYDHTFZGPYREJ-BMRADRMJSA-N 436.536 7.184 0 40 IKAB Clc1ccc2oc(-c3cnc(Nc4ccc(I)cc4)nc3)nc2c1 16428726 LLKCIMMDRLCLGY-UHFFFAOYSA-N 448.651 5.286 0 40 IKAB Cc1cccc(NCc2nn(CC(=O)c3ccc(Cl)cc3)c(=S)n2-c2ccccc2)c1 16768988 DSFVBPCEPCGAQC-UHFFFAOYSA-N 448.979 5.860 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 17096730 RQACKHOBBPDUPT-UHFFFAOYSA-N 430.017 5.827 0 40 IKAB O=C(CSc1nnc(NCc2ccco2)s1)Nc1ccc(Cl)cc1C(F)(F)F 17982802 CIEBUKWBZMXOOF-UHFFFAOYSA-N 448.879 5.146 0 40 IKAB Cc1nc(CN(C)CC[C@H](C)c2ccccc2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19698649 QCEVEDZMIGWCDJ-IBGZPJMESA-N 446.570 5.029 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3c(C)cc(C)cc3Cl)sc2c1 20411550 JTEPWSSAWRMOHO-UHFFFAOYSA-N 446.956 5.541 0 40 IKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22072649 CWWCMXAZVKZUOV-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22521582 QYMQRJQMDOJTPF-SFHVURJKSA-N 448.868 6.567 0 40 IKAB COc1cccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)c1 28293094 RHQMOIBKCUDAJL-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1cccc(I)c1 33491884 PFHVWDWUZQHNEJ-UHFFFAOYSA-N 440.712 5.187 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 46078886 MXGUQAUAJYRCMX-UHFFFAOYSA-N 434.923 5.584 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N(C3CC3)[C@H]3CCc4ccccc43)c2)cs1 58014423 ZRZSNTSOQQOCDM-SXAZAVRTSA-N 430.573 5.722 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1C 59176142 XGKLYZDIYAJTTG-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CC1CCC2(CC1)N=C(c1ccccc1)C(=O)N2CC(=O)Nc1cc(Cl)cc(Cl)c1 71327931 FXCLAWNOLVUOOU-UHFFFAOYSA-N 444.362 5.170 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)N(C)Cc2nc(C)c3ccccc3n2)cc1OC 89960255 DDGSPJILTAWFHI-ZHACJKMWSA-N 439.943 5.061 0 40 IKAB O=C(/C=C/c1nc2ccccc2o1)Nc1cc(Cl)cc(Br)c1OC(F)F 95947393 ZAKUMOUWIAZACD-AATRIKPKSA-N 443.631 5.497 0 40 IKAB O=c1c2sc3ncccc3c2nc(SCc2cc(F)ccc2F)n1Cc1ccco1 96097157 QXFRHMFPEBPGGN-UHFFFAOYSA-N 441.484 5.218 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 102075363 LXADYUVYYAOLCY-HVFKHUKCSA-N 426.299 5.343 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 222596073 ZFHOCEHDHWGQPP-XMMPIXPASA-N 443.031 5.728 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 222629810 BYRAPEAMPMXCSZ-CWVNLOTRSA-N 440.366 5.693 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)cc1Cl 222720857 RTWKSWIGXJJHSW-UHFFFAOYSA-N 425.381 5.395 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222980768 DGWPPPLATBCRGM-NHCUHLMSSA-N 444.025 6.252 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076505 UNFFXBYVNYZOIR-UHFFFAOYSA-N 425.315 5.839 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395011 PLDRMFGGQIXAJB-DNQXCXABSA-N 428.536 5.184 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223806240 VSRYCIDZONBYOV-QHCPKHFHSA-N 429.004 5.305 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 224233904 DJEAMTDWIQWEAJ-LJQANCHMSA-N 447.044 5.153 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2Cl)cc1 224409699 VRMSAQUTJSEKBB-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C 224443215 CWRGBBFDUGXWLL-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C(C)C 224568439 LARLEGUDEPJZOO-UHFFFAOYSA-N 446.547 5.998 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225362514 PRJLRCRDJZZJOD-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225460742 BDRGTTBCXTVRKR-REWPJTCUSA-N 426.626 5.199 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 225582435 ZDFJGQUSCUKAPY-CVDCTZTESA-N 444.616 5.089 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225608257 PZHBQOQUXFUAEK-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225628399 GAERAASUBPGCPA-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 225686826 YVWWAAWJCZELBO-FQEVSTJZSA-N 440.603 5.245 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225720787 IXUZUMBUKYEACV-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB Clc1cc(Br)c2[nH]c(-c3cccc(I)c3)nc2c1 226342986 MFLBYASXWWMEBK-UHFFFAOYSA-N 433.474 5.250 0 40 IKAB O=Cc1cn(C(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c2ccccc12 226766292 WZTOQLYCVXFQCH-UHFFFAOYSA-N 428.669 5.818 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@H]2c2ccnc(-c3ccccc3)n2)cn1 257279137 OFDKJCXYSLPJAT-QHCPKHFHSA-N 437.503 5.012 0 40 IKAB CCC(=O)N[C@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(Br)cc2)C1 257286735 PMUPFVRMVHNLIQ-DYXWJJEUSA-N 436.777 5.980 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257298005 RJSJGXRIUCSCFR-HXUWFJFHSA-N 428.532 5.497 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257306673 SVHQWQBRSQATTE-QFIPXVFZSA-N 438.575 5.273 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)N1CCCCCC1 408582477 CQDPYWUKCHAYIB-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB CCOc1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)ccc1OC 408632030 CRCHBRBSAZZZBE-BOPFTXTBSA-N 432.885 5.015 0 40 IKAB COc1cccc(C(=O)C[C@@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)c1 408682873 KDOPAXLSETXBTR-QHCPKHFHSA-N 428.937 5.445 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)c1 408699054 UJCREJYUWSFLJW-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 408922628 CVWZJWGVTXZRJO-QGOAFFKASA-N 428.513 5.293 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccccc1Cl 409022450 OMUDPLMQJQRACM-UDWIEESQSA-N 431.941 5.762 0 40 IKAB COC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CCCC2 409121093 YDQKQMCUZHGXMM-LTGZKZEYSA-N 447.556 5.601 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Br 409127855 QRNFHLVDNSEUQT-QGOAFFKASA-N 432.339 5.127 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1 409196952 TUBSZICWLIYBET-UHFFFAOYSA-N 433.360 6.335 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)N[C@@H](c1ccccc1)c1nc2ccccc2[nH]1 604419028 LWQPVKQXGITMBL-IBGZPJMESA-N 426.398 5.373 0 40 IKAB COc1ccc(-c2oc3ccc4c(=O)c(-c5ccccc5)coc4c3c2CC(=O)O)cc1 1547139061 JHXZIAKPKUTWSB-UHFFFAOYSA-N 426.424 5.509 0 40 IKAB biogenic O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@H](c2cccc(Cc3ccccc3F)n2)C1 1848355609 QFBTXRXJQPBCSV-DEOSSOPVSA-N 449.913 5.160 0 40 IKAB CC(C)(O)[C@@H]1CC[C@]2(C)CC[C@]3(C)[C@H](CC[C@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]12 2332243433 YDNYDUBBAZTLTQ-PSIBXNSYSA-N 444.744 7.220 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)sc2nc(-c3ccc4c(c3)OCO4)ccc12 661451 SNSRVWSGCDRHJQ-UHFFFAOYSA-N 441.871 5.319 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)c2ccccc21 1013096 FZCGVDDFMCJYIM-RGVLZGJSSA-N 437.496 5.036 0 40 IKAB c1ccc(CSc2cnnc(SCc3ccccc3)c2SCc2ccccc2)cc1 1692121 YVNKYYPQJATQTE-UHFFFAOYSA-N 446.666 7.354 0 40 IKAB Cc1cccc(Cl)c1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1825357 NWABFGXZWOLHKK-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CC[C@@H](C(C)(C)C)C2 1944568 LWCUMUFYWBKLSB-CYBMUJFWSA-N 435.973 5.357 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(Br)c1 1946679 QGTGBAAUIKLCLP-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB C[C@@H](CCOc1c(F)c(F)nc(F)c1F)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2200980 VINXLJKMEPXVHT-LBPRGKRZSA-N 427.482 6.511 0 40 IKAB Nc1nc(-c2ccc(OCc3ccccc3)cc2O)c(-c2ccccc2)c(C(F)(F)F)n1 2216221 PRSHUXFEVUMOLW-UHFFFAOYSA-N 437.421 5.696 0 40 IKAB biogenic CC(C)CCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2254401 WXIOLHNCHGVNGU-UHFFFAOYSA-N 442.441 5.378 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccn2)cc1 2329685 PXSBWCCTGSXEBE-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)cc1C 2372633 QYLBTVQMQRXAMB-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2432861 DRLTVGPJDNAGOK-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cn(-c2ccccc2)nc1-c1ccccc1 2616970 DRKMZBHMCNWXEF-UHFFFAOYSA-N 438.314 6.595 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2-c2ccccc2)cc1 2618612 NPVRQQHDNOOQSX-UHFFFAOYSA-N 437.471 5.196 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)cc1 2768417 VAIMHZOOSLDCFI-UHFFFAOYSA-N 435.478 5.432 0 40 IKAB CC(C)(COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1 3064713 YUQJFOZSJKAAHB-SFHVURJKSA-N 439.364 5.595 0 40 IKAB CC1(C)Cc2cccc(OCc3cccc(COc4cccc5c4OC(C)(C)C5)c3)c2O1 3251285 HYJKXSIRNGMPAB-UHFFFAOYSA-N 430.544 6.272 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1-c1ccccc1 3332175 HPQHNXFUJHWTBS-UHFFFAOYSA-N 426.545 5.543 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2ccccc2Br)c2ccccc2)c1 3386472 DKCSBGZRHKRHLP-NRFANRHFSA-N 438.321 5.603 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)cc1)c1ccc(-c2ccc(Cl)cc2)o1 3764252 YCGFEEGOEBDCPI-UHFFFAOYSA-N 441.870 6.626 0 40 IKAB COc1ccc2ccccc2c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1C 3767932 VUEJDADWABKWPQ-UHFFFAOYSA-N 436.511 6.834 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 4682385 BCORKZWJUZXNSD-UHFFFAOYSA-N 427.548 5.025 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)OCC(=O)c3ccc(F)cc3)cc(-c3ccccc3)nc12 8383487 QRNLFXVYMHIGBG-UHFFFAOYSA-N 433.866 6.042 0 40 IKAB Cc1cc(C)c([C@]2(c3ccccc3)SC(c3ccccc3)=NN2c2ccccc2)c(C)c1 8383961 AGZVIDBAQCTFRI-LJAQVGFWSA-N 434.608 7.428 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 8656880 GUSMJHVUBAWQCZ-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 8722373 GMDGXPSKSJFLLN-WYRIXSBYSA-N 443.366 5.750 0 40 IKAB O=C(Nc1ccccc1)C1CCN(Cc2cn(-c3ccccc3)nc2-c2ccccc2)CC1 8744676 HSAZDWKGMDRBTM-UHFFFAOYSA-N 436.559 5.390 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8828180 RIEJBLMRAIQBMU-SFHVURJKSA-N 431.923 5.267 0 40 IKAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1cc(C(C)C)nc2ccccc12 8881539 ZVFFPPRMVWIWAH-UHFFFAOYSA-N 443.469 5.266 0 40 IKAB Cc1cc(C)nc(SCC(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)cs2)n1 8915858 KGCYQKQXDLXPCV-UHFFFAOYSA-N 446.601 5.542 0 40 IKAB COc1cc(NC(C)=O)c([C@H](c2ccc(-c3ccccc3)cc2)c2ccc(C)o2)cc1OC 9183574 CIFPIGPOZORDLR-NDEPHWFRSA-N 441.527 6.411 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCc2sccc2[C@H]1c1cccs1 9216774 BIIFYFHAIRBDPX-IBGZPJMESA-N 431.966 5.412 0 40 IKAB COCc1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1-c1ccc(OC)c(OC)c1 9261136 OTLDEJBLHYVKNT-UHFFFAOYSA-N 449.454 5.307 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1F 9309556 TYMPLJVEXMMAGG-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)cc1 9345182 AQHOKBCSULPWSS-HSZRJFAPSA-N 445.902 5.243 0 40 IKAB O=C(CSc1nnc(NC(=O)c2ccc(-c3ccccc3)cc2)s1)Nc1ccccc1 9364086 HAVFZQFGGUSKMT-UHFFFAOYSA-N 446.557 5.188 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2Cc2ccccc2)cc1 9499850 CORRNEZXGFTBII-KRWDZBQOSA-N 448.592 5.162 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N(C)c3ccccc3)c2)c(C)c1 9502011 YFOVBGFRCIOPCP-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Fc1ccc([C@@H]2CC(c3ccc(I)cc3)=NN2c2ccccc2)cc1 9761186 CTQJKBZVPGWPHF-NRFANRHFSA-N 442.275 5.786 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1Cl 9846228 FYNAOVKMEGYXQE-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(Cl)cc2s1 10066569 ZYDRYOXEJUGUCO-UHFFFAOYSA-N 445.013 5.548 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C)c1ccc(-c2ccccc2)cc1 10616881 WLZOPRVXXSVCOS-KRWDZBQOSA-N 446.551 5.258 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)C)cc2)cc1 11612329 WFMOGQHPUBZYPQ-SHQCIBLASA-N 428.532 6.070 0 40 IKAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)c(=O)oc2c1 12490659 DOEILAXZJMFGRF-UHFFFAOYSA-N 426.472 5.791 0 40 IKAB Clc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 12573150 DPMXGFIVQMMFKS-UHFFFAOYSA-N 446.941 7.199 0 40 IKAB CCn1c(S[C@@H](C)C(=O)N(C)c2ccccc2)nc2scc(-c3ccccc3)c2c1=O 12797962 DYOUGWARMWEMOF-INIZCTEOSA-N 449.601 5.289 0 40 IKAB Cc1cc(NC(=O)c2ccc(CN(C)CC(=O)Nc3cccc(C)c3C)cc2)ccc1Cl 13056924 AMUFHJWFLGFLSU-UHFFFAOYSA-N 449.982 5.588 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cc(-c2cccs2)nn1-c1ccccc1 13097300 MUACFQKMCUIGJA-UHFFFAOYSA-N 442.371 6.180 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccc(N2CCCCCC2)cc1 13120766 REVBRUFGJLLGBA-JOCHJYFZSA-N 434.609 5.452 0 40 IKAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 13807049 IRKTWDNRKMSRGK-ZNZIZOMTSA-N 434.495 5.199 0 40 IKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1OC 13992065 JEQPXXREIUAASA-UHFFFAOYSA-N 441.443 5.419 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CSCc1cccc(Cl)c1 16282534 CUQCJPPEVYWVOO-UHFFFAOYSA-N 428.022 6.813 0 40 IKAB C[C@H](OC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1nc2ccccc2s1 16699227 CBOVVZMPYDEDAL-KRWDZBQOSA-N 444.556 5.606 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)COc1cccc(C)c1C 17095994 JFCUXLXAHCAACB-UHFFFAOYSA-N 428.536 5.487 0 40 IKAB Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1 17097401 JGQLPRHAOCHCGL-DHZHZOJOSA-N 431.344 6.088 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 17098177 UBVALMIBVWYAOL-NTEUORMPSA-N 432.593 5.267 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccc(F)cc3)n2C)c1 18779861 AOJLNIBWTLVNLJ-UHFFFAOYSA-N 446.551 5.255 0 40 IKAB Sc1ccccc1C1N(Cc2ccc(Cl)cc2)CCCN1Cc1ccc(Cl)cc1 19319166 ZCKUFOFFMUAGJA-UHFFFAOYSA-N 443.443 6.689 0 40 IKAB CC[C@H](NC(=O)c1cc(-c2cnn(CC)c2)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 19636997 UHFFBTZUZCIZQP-RAXRNYJGSA-N 442.607 5.843 0 40 IKAB Cc1cccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1C 19819713 XRYMWHOHYLAYBI-UHFFFAOYSA-N 433.602 5.285 0 40 IKAB O=C(CSc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1Cl 19927327 QDFFQDMOPXDOKO-UHFFFAOYSA-N 444.137 5.781 0 40 IKAB C[C@H](Sc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20451797 OOGMMZNOCWGYQD-SFHVURJKSA-N 432.589 6.356 0 40 IKAB CCOc1cc(CNC2CCCCCCC2)ccc1OCc1ccc(Cl)cc1Cl 22076299 CNKOIHCGOMOTNT-UHFFFAOYSA-N 436.423 7.174 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccc(F)cc4)ncnc3[C@@H]2C2=C1CCC2 26960010 NXDVBQMZXBFQBS-UGKGYDQZSA-N 425.598 6.549 0 40 IKAB Cc1nc(C2(NC(=O)c3cccc4c(=O)c(C)c(-c5ccccc5)oc34)CCCCC2)no1 29058315 LFNUASLFLGEWLD-UHFFFAOYSA-N 443.503 5.049 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2)cc1 33588027 XHMZGZJMCYGPCV-UHFFFAOYSA-N 437.608 7.130 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 35823980 OZMKOAJSAFGHAK-UGQVUOCMSA-N 440.897 5.600 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCC[C@@H](C)C3)cc2)sc2c1CCCC2 38772343 AEEVFWDZJVUBOJ-QGZVFWFLSA-N 440.609 5.288 0 40 IKAB CNC(=O)c1cccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c1 40160154 OVBUYCDQFNMAAQ-UHFFFAOYSA-N 441.556 5.326 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OCC 44900219 DTKQRRYMCJHWIZ-HXUWFJFHSA-N 444.575 5.538 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 44916557 GPXNRSBGYZXZCH-UHFFFAOYSA-N 442.603 5.395 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 44934937 SVPFACAFZDWIRB-GOSISDBHSA-N 429.402 5.155 0 40 IKAB Cc1sc(NC(=O)c2ccccc2F)c(CN2CCN(c3ccccc3F)CC2)c1C 56984563 RKODTFSMJKZEBG-UHFFFAOYSA-N 441.547 5.218 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC(C)C 57472518 YVBAJBCJXAAFOB-UHFFFAOYSA-N 429.973 5.135 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358938 PLPXGZJEPUSOSM-SFHVURJKSA-N 443.444 5.250 0 40 IKAB COc1cccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccc(F)cc1 85411816 STOIZOANMHTBKQ-NRFANRHFSA-N 441.528 5.370 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 87493033 OOUCIUZOGLWLAN-OMRJJVKPSA-N 430.717 6.996 0 40 IKAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cc1 100731919 ALBNKSCAOHSMKV-TYKWCNGQSA-N 432.568 5.020 0 40 IKAB CC(=O)Nc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3nn(-c4ccccc4)c(O)c32)cc1 101500600 MFWXTHKWYPJOKL-OAQYLSRUSA-N 442.519 5.386 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 102665817 WOUXPYKSHMSUPC-FPTDNZKUSA-N 436.899 5.014 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(F)cc1 106691899 YONDGNLGZXGOJW-WQRHYEAKSA-N 445.924 6.460 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)cc1 106738873 QGXIFBPPLZCQFM-UWVJOHFNSA-N 431.897 5.094 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cc(Cl)ccc1Cl 108214098 WPKGXBACFRPJGP-UHFFFAOYSA-N 444.701 6.673 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 214615716 FQVRFZRSVRZINL-RGVLZGJSSA-N 444.339 6.798 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695511 DHGNCJBGDGALFJ-GOSISDBHSA-N 443.396 5.048 0 40 IKAB COc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)(C)C)c1 223055956 JUSCKFXJGRVZFO-FQEVSTJZSA-N 446.591 5.113 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(C)c(C)c1 223225186 JORRBLAQEPGFIM-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc2ccccc12 224304567 RIWXPPHEJQZIIA-UHFFFAOYSA-N 425.484 5.882 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224554152 GJQWVUIXJDIRJH-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)C 224567527 DHABSLSFUZUYCU-UHFFFAOYSA-N 433.504 5.769 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224614306 OZIRUTBVIFVJFS-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Br)c3)o2)c1 224899658 ORKYXKVLOJELTM-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225182860 GPYJTWZCIGUVGE-RUZDIDTESA-N 436.640 5.559 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225350340 LDUNKACYPQIULB-INIZCTEOSA-N 441.358 6.056 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)/C(=C/c3ccco3)NC(=O)c3ccccc3)ccc21 225681056 VHWOYTLMECABBL-MOHJPFBDSA-N 449.510 5.817 0 40 IKAB O=C(N1CCC[C@@H]1c1cccc(Cc2ccccc2F)n1)C1(c2ccccc2)CCOCC1 257217589 CZPNMEZVGNPNKG-AREMUKBSSA-N 444.550 5.223 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CN(C(=O)c3ccccc3)CCO2)n1 257321095 WABDZEPOFYMQES-HSZRJFAPSA-N 440.465 5.213 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)cc1Cl 408699199 SERGCVAOHNWIDQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3C)cc2-c2ccc(-c3ccccc3)cc2)cc1 408725427 OWMRPQZFQHQODS-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)c2ccccc21 409111702 DZNNHXWNXLETAC-HMAPJEAMSA-N 438.354 6.870 0 40 IKAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ccc(Oc2ccccc2)cc1 409122121 ZJCLOHHQASRSAV-UHFFFAOYSA-N 449.525 7.962 0 40 IKAB O=C(c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2)N1CCc2ccccc2C1 409175001 XPDMLDQNBLGULJ-PWPLQYRGSA-N 434.583 6.182 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccc(C)cc2C)cc1 409412325 JGXCQQXZPZEPAB-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585266003 YEMKDQAQZUECKW-UHFFFAOYSA-N 439.939 6.590 0 40 IKAB Cc1nn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C)c1I 685937234 CTPCKPGGGCCIEW-UHFFFAOYSA-N 448.148 5.190 0 40 IKAB CSc1ccccc1NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2 673915 MEDGTNVTZGDPBK-QAPCUYQASA-N 432.471 5.518 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCCC1 883283 SEKSJMVFWOMYJP-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 888248 WSUBULOXXQDESZ-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4nc5ccccc5s4)c23)C1 928911 CGGPPGBVOCFZMA-NSHDSACASA-N 426.592 5.157 0 40 IKAB O=C1N=C(O)/C(=C/c2cccc(Br)c2)C(=O)N1c1ccc(Cl)c(Cl)c1 1171485 DUFCNBNKLMOAST-GHXNOFRVSA-N 440.080 5.263 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCc4ccc(OC(C)C)cc4)nc(N)c23)CO1 1251080 OTONTUOQWKIAFN-JOCHJYFZSA-N 429.611 5.594 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)NC1(C(=O)N2CCc3ccccc3C2)CCCCC1 1344893 KCEZEVQKPPYMQG-UHFFFAOYSA-N 445.485 5.115 0 40 IKAB CCOC(=O)[C@@H](Cc1ccc(F)cc1)c1ccnn1-c1c(Cl)cc(Cl)cc1Cl 1392744 YVIGFYDHUOWPGI-HNNXBMFYSA-N 441.717 5.861 0 40 IKAB O=S(=O)(Cc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1 1760540 ZNAXZURENKMNHM-UHFFFAOYSA-N 438.974 6.581 0 40 IKAB COc1ccc(OC)c(NC(=O)Sc2c(Cl)c(Cl)nc(Cl)c2Cl)c1 1764023 CXQVAAFHUNDSLJ-UHFFFAOYSA-N 428.124 6.037 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccc(CC)cc1 1911832 UERWNHHKGVXCDW-UHFFFAOYSA-N 443.952 5.825 0 40 IKAB CCOC(=O)c1cccc(Nc2c(C(=O)OCC)cnc3c(C(F)(F)F)cccc23)c1 1912368 XDFMZJVYJOGIGG-UHFFFAOYSA-N 432.398 5.351 0 40 IKAB CCn1c2ccccc2c2cc(N3COc4c(cc5c(C)c(C)c(=O)oc5c4C)C3)ccc21 2160496 RWOJAAHEWJBGSL-UHFFFAOYSA-N 438.527 6.203 0 40 IKAB biogenic CCCn1c(SCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2358848 KOMLPGNAMFTEEG-UHFFFAOYSA-N 430.617 6.371 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)CSc2ncnc3ccccc23)cc1 3259975 KCXSYSPBXFUZSQ-UHFFFAOYSA-N 428.561 5.907 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109861 JFIFWGHRMLYNPQ-WEVVVXLNSA-N 443.296 6.654 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(N3CCN(CC)CC3)c(Cl)c2)cc1 5676929 UDIFSLUTFKRNHF-SFHVURJKSA-N 429.992 5.013 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3 8432053 ACCXCBLWUJXEIW-OAHLLOKOSA-N 442.650 6.109 0 40 IKAB CCCOC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2cccc(C(=O)c3ccccc3)c2)c1 8452549 FSRNIIZPILEPMV-KRWDZBQOSA-N 449.934 5.880 0 40 IKAB Cc1ccc(C)c(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 8453326 PSJUMYYWCXSGNN-GFCCVEGCSA-N 428.120 5.201 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)c1ccc(C(C)(C)C)cc1)oc1ccccc12 8685186 FUBUELHMJDMBQJ-UHFFFAOYSA-N 431.488 5.688 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5c(c4)OCCO5)cc3n2)cc1 8832176 FPAUHIREXNENIM-UHFFFAOYSA-N 442.519 5.095 0 40 IKAB Cc1cc2oc(C(=O)N(Cc3ccc(Cl)cc3)C[C@@H]3CCCO3)c(C)c2cc1Cl 8868406 FCNNFBKTMDRNHC-SFHVURJKSA-N 432.347 6.178 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)c1 8917482 QMAICYYEAQYFLV-UHFFFAOYSA-N 429.929 5.000 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNC1CCCCC1 8926144 RCUPCYLSLFLHBU-AREMUKBSSA-N 438.615 6.567 0 40 IKAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OCC(C)(C)C(=O)N3CCC(C)C)cc1 8959255 XBGBQCOPFKUUQM-UHFFFAOYSA-N 438.568 5.064 0 40 IKAB O=C1C2=C(CCCC2)[C@H](SCc2ccc(Cl)cc2)N1Cc1ccc2c(c1)OCO2 9246281 MIZWLDROEUIRBC-QHCPKHFHSA-N 427.953 5.541 0 40 IKAB COc1ccccc1[C@]1(CCN(Cc2ccccc2)C(=O)c2ccco2)CCOC(C)(C)C1 9300362 FNODXOBVXMXNON-MUUNZHRXSA-N 447.575 5.848 0 40 IKAB biogenic COc1ccc(-c2c(NC(=O)c3ccccc3C)sc3ccccc3c2=O)cc1OC 9328006 BIEVQUZALLVYCM-UHFFFAOYSA-N 431.513 5.506 0 40 IKAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(Cl)cccc3Cl)cc2oc1=O 9459654 YWWJXAFJACZFTH-UHFFFAOYSA-N 441.694 5.356 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c1 9494227 NBMKIFYEWSDSDM-UHFFFAOYSA-N 440.544 5.329 0 40 IKAB Cc1c(C(=O)NC2CCC(NC(=O)c3oc4ccccc4c3C)CC2)oc2ccccc12 9508559 HGCLAIWJALHKBV-UHFFFAOYSA-N 430.504 5.267 0 40 IKAB Cc1ccc(C)c(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 9561422 IXOOUMSRQJYFOM-OAQYLSRUSA-N 425.866 6.487 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)c1 10120184 ULGWNALSAUKKPO-UHFFFAOYSA-N 448.475 5.172 0 40 IKAB O=C(Nc1cc(NC(=O)C2CCCCC2)c2c(c1)Oc1ccccc1CC2)C1CCCCC1 12360050 UHMWSVRJOBETHY-UHFFFAOYSA-N 446.591 6.615 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)cc3Cl)c3ccccc3C2=O)c(C)c1 12651968 OLIMNQFPFJBBQH-UYRXBGFRSA-N 437.326 6.250 0 40 IKAB O=c1c2c(C3CC3)csc2nc(SCc2noc(-c3ccco3)n2)n1-c1ccccc1 12872360 SBGVNLLPEIMUFZ-UHFFFAOYSA-N 448.529 5.260 0 40 IKAB O=C(Nc1cccc(CNCc2ccc(OC(F)(F)F)cc2)c1)c1ccccc1Cl 12975767 CKJWIVCZVYQFSO-UHFFFAOYSA-N 434.845 5.781 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 13014721 VHAFBEJKVUHVSR-CYBMUJFWSA-N 431.949 5.211 0 40 IKAB CSc1ccc2c(c1)N(C(=O)CN[C@@H](C)c1ccc(Cl)cc1)c1ccccc1S2 13040192 UBSPXZWNXREMMC-HNNXBMFYSA-N 441.021 6.542 0 40 IKAB CCOC(=O)c1ccc(NC(=O)COc2c(Cl)cc(Cl)c3ccc(C)nc23)cc1 13148799 CCPFTNLVQXUUEP-UHFFFAOYSA-N 433.291 5.044 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1 13502040 IPVVCFLFHUYKTE-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB CCOc1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)Nc2ccc(C)cc2)cc1OCC 13648239 HBBGICDLOANNNY-HAVVHWLPSA-N 444.531 5.202 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1Cl 13709160 YNSTYUCXOJJBRC-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)c(C)c1 13946058 DYCTYGYUXWYGLF-UHFFFAOYSA-N 438.936 5.951 0 40 IKAB Fc1ccc(-c2cc(-c3ccc(F)cc3)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 13960714 GUTVMTFIHQUQLN-UHFFFAOYSA-N 449.913 7.261 0 40 IKAB CCOc1ccc(OCC)c(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)c1 16689319 IZZHQRWERMJTAH-UHFFFAOYSA-N 443.975 5.363 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1cc(C)cc(C)c1 17096932 BOEKNNMRWZYSDO-UHFFFAOYSA-N 430.504 5.755 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)nc2c1 17097265 ITMZOLCJVJKYJQ-CVDFKLHSSA-N 430.935 7.314 0 40 IKAB CCSc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316841 SEHSZPALJUIDTP-IBGZPJMESA-N 439.972 5.280 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC(c3cc(-c4ccccc4)cc(C)n3)CC1)CCCC2 19691412 FMPSWDNQHOPQNC-UHFFFAOYSA-N 428.580 5.172 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 20110304 GPSLHQSRIJNKHV-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140026 NIORVAJJBLNWIV-UHFFFAOYSA-N 445.085 6.511 0 40 IKAB O=C([C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 20521953 JQUDXHRYILULGK-QHCPKHFHSA-N 444.541 5.399 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(C[C@H](C)c2ccccc2)CO4)cc1 20610012 AGQUCBAWQAMFJI-SFHVURJKSA-N 441.527 5.733 0 40 IKAB biogenic CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 20633277 HCKHQWROXBANHM-XMMPIXPASA-N 449.551 5.322 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1C 21005644 LCGLATWTMZIMDP-RUZDIDTESA-N 439.515 5.343 0 40 IKAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23701672 GUNOVFLKJVZLSK-AWEZNQCLSA-N 436.865 5.292 0 40 IKAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@@H]1c1cccs1 23845257 RQGIBWSSPQFKSY-MRXNPFEDSA-N 443.922 5.395 0 40 IKAB CC(C)n1c(SCC(=O)Nc2c(F)cccc2F)nnc1-c1cc2ccccc2o1 28211397 OINYXADJNASUMZ-UHFFFAOYSA-N 428.464 5.281 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@@H](C[C@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 30691425 WRGOVNKNTPWHLZ-HOTGVXAUSA-N 447.339 6.123 0 40 IKAB in-man Cc1cccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116599 UYJVEOVLYZIGMB-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB COc1cccc(Cn2nc(C)c(NC(=O)c3cccc(Oc4ccccc4)c3)c2C)c1 32610616 XEIXYQNXSXQONE-UHFFFAOYSA-N 427.504 5.601 0 40 IKAB COc1cc(NC(=O)[C@H]2CCCC[C@@H]2c2nc3ccccc3s2)cc(OC)c1OC 32721997 BFFCBBGQSLYNDL-HOTGVXAUSA-N 426.538 5.235 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCC[C@H](c2nnc3ccccn23)C1 32830592 ABRYVWDOWGEAAS-FQEVSTJZSA-N 449.514 5.071 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)ccc1F 32903645 WOJVHLVZEOKCBC-UHFFFAOYSA-N 436.464 5.298 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc(Cl)c2C)cc1OCC 33467606 MZTKEEUICYDLAO-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB CCCCCC[C@@H](C)Oc1ccc(Cl)cc1/C=c1\sc2nc3ccccc3n2c1=O 33728664 QAPSLRCLZRNYPQ-GRVPHDJPSA-N 440.996 5.848 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 34956340 YNUUQPZWRDEVNW-AWEZNQCLSA-N 441.394 6.243 0 40 IKAB O=C(c1nc(-c2ccccc2)n2c1CCCCC2)N1CCC(OCc2ccccc2)CC1 40086608 DBGLCGZHPMASAA-UHFFFAOYSA-N 429.564 5.098 0 40 IKAB CC(C)NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)(F)F)cc1 44087933 VQUJECJPLHZCMW-UHFFFAOYSA-N 435.471 5.055 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44916364 WGRBZNSFEIIPEG-QFIPXVFZSA-N 429.004 5.088 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 57315816 BZYVWPNELOTUAZ-UHFFFAOYSA-N 430.957 5.409 0 40 IKAB O=C(NC[C@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1)Nc1cccc(F)c1 58323890 YVYXCPUFJNZRAH-MRXNPFEDSA-N 449.979 5.022 0 40 IKAB Cc1cccc(-c2nnc3sc(-c4oc(-c5ccc(Cl)cc5Cl)cc4C)nn23)c1 67299824 UXHOOSXJSOAJTD-UHFFFAOYSA-N 441.343 6.703 0 40 IKAB O=C(CCSc1ncnc2c1[C@H]1CCCC[C@@H]1S2)Nc1cccc(C(F)(F)F)c1 96305868 CARSRCWHZXMFIO-GJZGRUSLSA-N 439.528 5.748 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccccc3F)c2)cc1 216336276 JIZHUPXIMITMJW-UHFFFAOYSA-N 425.525 5.296 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CC(c1ccccc1)c1ccccc1 219133319 HTBRVUUZEPKXQZ-UHFFFAOYSA-N 431.923 5.571 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(OCc2ccccc2)cc1 219457883 YBVKMZFASYYFKH-UHFFFAOYSA-N 436.511 5.798 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 222601281 GWGPGWKGRPLXAB-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB COC(=O)c1cn(C(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc12 222625369 FHIZOSLGKLKHJW-UHFFFAOYSA-N 445.346 5.287 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 222760694 RRISJSKLUYUJHI-RTBURBONSA-N 428.355 5.015 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1C(C)C 223327831 DXGOJDOLDOOQQX-KRWDZBQOSA-N 448.401 5.763 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 223779775 SYGSLCJMIVTFBE-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)c2)c1 224078429 YMZXTOHAHWHTDE-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224109073 OWXKDTKBLMFESI-QFIPXVFZSA-N 442.603 5.291 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1cccnc1 224155691 JPCFXSBKEHQTDR-JWQCQUIFSA-N 439.588 5.120 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 224214407 LZUJIUSIPAJQPW-DNQXCXABSA-N 443.597 6.311 0 40 IKAB CN(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 224431365 CDHGESPEPLYAJD-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc(Cl)c1 224487755 KKJGGBRSPKZQME-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1C 224611876 XRUPAJKROQPNTM-UHFFFAOYSA-N 433.504 5.571 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 224658269 RVRPQIURGWRIEX-QGZVFWFLSA-N 425.981 6.522 0 40 IKAB CC(C)(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225040560 BYXWHXMDSFMQIV-PKTZIBPZSA-N 433.625 5.113 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)c1 225166440 LLBAGXAOAUMHMZ-INIZCTEOSA-N 440.436 6.242 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225174096 HBWPGLMTPARBDI-ZWKOTPCHSA-N 433.017 5.154 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225192479 VMBSTVNOBBLGPK-HSZRJFAPSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225269601 ZENOVSCFJXGLIB-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@@H](C)C4)cc3)CCCCC2)cc1 225542451 VHWFFEJZKAJDRV-PSWAGMNNSA-N 448.651 6.192 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225547533 WRBRXXDXYPCDGD-XUZZJYLKSA-N 438.612 5.021 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225724226 PEUDUBHRCSQKBQ-KKSFZXQISA-N 435.395 5.258 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1c(Cl)cccc1Cl 225819099 FOAQADINKBDSJF-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1-c1ccc(C(=O)O)o1 226355279 NYHCVUMUAWFAHY-UHFFFAOYSA-N 436.533 5.378 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 253499685 MCVIVMYFDOKJSH-HBFZNICXSA-N 438.608 6.186 0 40 IKAB C[C@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 253562465 DHPABJAAWYDUQJ-IPVQETTRSA-N 427.931 5.973 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 408606564 IQZSUJMKJHJRMD-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(C)ccc3C)n2)cc1 408694271 IELLHDSJXFOJIR-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 408789779 LHDCJHMQTXXHAW-UHFFFAOYSA-N 438.593 5.395 0 40 IKAB CN(C)c1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1Br 408988403 HVOSYOXZMBZVCI-UHFFFAOYSA-N 432.387 5.551 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1CCc1ccccc1 409006995 MLSOODOZJUUTPH-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)c(Cl)c1 409097642 NAOUMRSPBKNPFS-UHFFFAOYSA-N 449.407 5.563 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NCC(C)C)c2ccccc2)cc1 409123199 ADBUHZIWAKLHOW-JJIBRWJFSA-N 428.532 5.260 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 409148255 PEYWKDOKONXZPW-CJLVFECKSA-N 447.512 5.402 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(Cl)c3)C2=O)cc1 409170610 VTDPVBWNXXVEOE-UNOMPAQXSA-N 444.940 5.194 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3cccc4ccccc34)n2)cc1 409385390 KNAYNGNOYZUVKA-UHFFFAOYSA-N 426.463 6.617 0 40 IKAB COc1cccc(F)c1-c1ccc2c(c1)CN(CC(C)C)CCCCCCCN2C(C)=O 643570102 KDQKTMGEQOOSOW-UHFFFAOYSA-N 440.603 6.276 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(NC(=O)C4CCCCC4)ccc3o2)cc1)C1CCCCC1 813318 QZSVUWXQUUFLDH-UHFFFAOYSA-N 445.563 6.532 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccc(F)cc2)C[C@@H]1C 898818 IETAVFIVVRCJLR-UQBPGWFLSA-N 430.523 5.995 0 40 IKAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1OC 996942 PLWNFKWGMMHNIP-UHFFFAOYSA-N 446.934 5.545 0 40 IKAB biogenic Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNS(=O)(=O)c1ccc(C(C)C)cc1 1075012 JUXVPVYYVZWMOE-UHFFFAOYSA-N 440.487 5.019 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccccc1F 1336104 OOXZRJYWVVNIRS-QHCPKHFHSA-N 440.540 5.246 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363154 CKQSGSXFBYTQRP-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB Cc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2)cc1 1434549 FTGNGNPPZBKBCK-UHFFFAOYSA-N 426.541 6.201 0 40 IKAB Cc1sc(NC(=O)COc2ccc(C(C)(C)CC(C)(C)C)cc2)nc1-c1ccccc1 1916393 ZDNAAMAXDLKBSO-UHFFFAOYSA-N 436.621 6.850 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(C(F)(F)F)c1 2050890 HLYQAFSDNUPVMM-RMKNXTFCSA-N 426.221 6.924 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(Cl)cc3)c2)cc1 2078905 QDAUTAWNHDKLRX-UHFFFAOYSA-N 449.934 5.930 0 40 IKAB Cc1c(OCc2ccccc2Cl)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2160484 MCLIXAVIRULFMP-UHFFFAOYSA-N 444.870 6.107 0 40 IKAB biogenic CCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCc3ccccc3)cc2)cc1 2188732 VFHMVEMCNRRLPH-MUUNZHRXSA-N 434.539 6.599 0 40 IKAB CC(C)COP(=O)(OCC(C)C)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 2376986 PMZRLTDDRMXROF-OAQYLSRUSA-N 444.339 7.642 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C(C)(C)C)cc3)nnc2-c2cccc(C)c2)cc1 2454075 JMTIWXBYQYYRBT-UHFFFAOYSA-N 443.616 6.841 0 40 IKAB Cc1sc2ncn3nc(-c4ccc(COc5ccc(C(C)(C)C)cc5)o4)nc3c2c1C 2731583 RSJYNYAOVPARDB-UHFFFAOYSA-N 432.549 6.092 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccccc1NS(=O)(=O)c1cc(Cl)ccc1Cl 3215346 BCLHGQWBVCWSGS-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(Cl)c2)c1 3247524 ZSGHHGFOSFXNNT-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c1Cl 3366634 ZFGFPZMOXBPQLQ-UHFFFAOYSA-N 446.208 5.445 0 40 IKAB CCN(C(=O)COc1ccc(-c2nc3ccccc3s2)cc1)c1cccc2ccccc12 3447480 LWSLAYIFYBGFIS-UHFFFAOYSA-N 438.552 6.548 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NC3CCCCC3)C3CCCCC3)cc2c1 6196566 SNLPJMBRUHXSRC-UHFFFAOYSA-N 441.641 5.269 0 40 IKAB Nc1c(-c2nnc(-c3ccccc3)o2)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8426035 ULCMRDHJVWSGBV-UHFFFAOYSA-N 446.535 6.930 0 40 IKAB Cc1oc(C)c2c(=O)cc(-c3ccc4c(c3)OCO4)cc(OC(=O)c3ccc(Cl)cc3)c12 8612490 VGOIUPPSDPDDOP-UHFFFAOYSA-N 448.858 5.678 0 40 IKAB aggregator C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 8831764 VVSKNWFOHZQHQQ-MFMIUCCHSA-N 448.419 5.899 0 40 IKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 8836563 DQRZKBQMAHPXAR-GFCCVEGCSA-N 426.879 5.151 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cccc(Oc3ccccc3)c2)nc1-c1ccccc1 8872046 AIFAAKBBFUPJLH-UHFFFAOYSA-N 444.512 6.031 0 40 IKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 9159971 DYEPWKAMRLMCNQ-QFIPXVFZSA-N 430.891 5.516 0 40 IKAB Fc1ccc(-c2nc3c4c(ncn3n2)Oc2ccc3ccccc3c2[C@@H]4c2ccccc2)cc1 9209580 RNOXJHGVLIFHKZ-QHCPKHFHSA-N 444.469 6.370 0 40 IKAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(OCc3ccccc3)cc2)C1 9231897 KUYFHQSOYIMQKL-LJQANCHMSA-N 434.923 5.219 0 40 IKAB CC(C)(C)C(=O)n1nc(-c2cccnc2)nc1NCc1ccc(OCc2ccccc2)cc1 9288876 XPCSOUKKXZQYAV-UHFFFAOYSA-N 441.535 5.218 0 40 IKAB COc1ccc(OC)c(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)c1 9409832 WLLWWAMONVTWQJ-ZXVVBBHZSA-N 447.487 5.375 0 40 IKAB COc1ccc(C(NC(=O)CNc2cccc3ccccc23)c2ccc(OC)cc2)cc1 9413042 NVQJRVGVPSUFAS-UHFFFAOYSA-N 426.516 5.175 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)cc1C 9504692 NOKIDTHAGJJKQK-UHFFFAOYSA-N 431.561 6.277 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl 9607210 CEYIYXHTWUWYOJ-VWLOTQADSA-N 447.966 5.245 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9643468 OIXNCAKFYSPJJP-JOCHJYFZSA-N 444.535 5.185 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009691 PMBJLDILTIXIMY-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB COc1cccc2sc(N(Cc3cccnc3)C(=O)CSc3ccc(C)cc3)nc12 10187735 MGSYYYWTOGODHD-UHFFFAOYSA-N 435.574 5.334 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(S[C@@H]2CCCCNC2=O)n1C1CCCCC1 10286647 CSSKRZNHDMSALF-LJQANCHMSA-N 449.020 5.085 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OC)cc32)cc1 12485108 AUEJEZNKOQEULN-UHFFFAOYSA-N 433.939 5.961 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccccc2)cc1 12496341 PTUSLWCIRNTGKP-UHFFFAOYSA-N 429.545 5.285 0 40 IKAB CCCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(O)c1 12604628 VUCJQXVBILVOKK-UHFFFAOYSA-N 444.581 6.989 0 40 IKAB COc1ccc(C[C@H](NC(=O)c2ccccc2Br)c2ccc(OC)cc2)cc1 12696308 GBJWCTLFBKNKCW-QFIPXVFZSA-N 440.337 5.180 0 40 IKAB CCCn1c(NC(=O)[C@@H](C)SCc2ccc(Br)cc2)nc2ccccc21 12700363 LTSPDYMKFHQXLY-CQSZACIVSA-N 432.387 5.469 0 40 IKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 12849008 FJBNMYMCCOMGLK-IBGZPJMESA-N 446.620 5.123 0 40 IKAB COc1ccc(Br)c(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)c1 12974544 VTSGGZSMJDTWRV-CYBMUJFWSA-N 431.355 5.087 0 40 IKAB CCc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2cccs2)C(=O)c2ccco2)cc1 13026772 IBRCRYAEBPBNPH-QHCPKHFHSA-N 436.577 5.346 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12)NC1CCCC1 13084483 WQQSEPQQWZTXMO-UHFFFAOYSA-N 431.483 5.467 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2cccs2)o1 13497363 CKEKBICVGJCDKG-QHCPKHFHSA-N 436.577 5.482 0 40 IKAB COc1ccc(Br)cc1-c1nc(-c2ccc(F)cc2)c(-c2ccc(F)cc2)[nH]1 13596152 YZYGNOUVRAOUCX-UHFFFAOYSA-N 441.275 6.460 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684829 MAZJTKNWNHVQES-UHFFFAOYSA-N 436.939 5.701 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1OC 13764687 NQZXREUHGYBSJY-MHZLTWQESA-N 434.539 6.727 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Cl)cc3Cl)=NN21 13770918 ZYSNQWMPQUZZHS-REWPJTCUSA-N 425.315 6.244 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 13804307 KBKKWVBPDNWFLN-HNNXBMFYSA-N 428.989 5.863 0 40 IKAB CC(=O)c1ccc(OC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 14463899 AMDZXCBRMGUAOU-XUZZJYLKSA-N 433.529 5.349 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 14582861 JTKGBCNBOMSHFK-UHFFFAOYSA-N 433.430 5.037 0 40 IKAB COc1cc(-c2cc(=O)c3c(O)c(C/C=C(\C)CCC=C(C)C)c(O)cc3o2)ccc1O 15253927 MWGFICMOCSIQMV-LZYBPNLTSA-N 436.504 5.821 0 40 IKAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 17100295 QAWNCJIVQHEWJE-UHFFFAOYSA-N 436.515 5.923 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 17169941 KCIJYONIRVVOBQ-UHFFFAOYSA-N 426.925 5.012 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)cc1 19531217 MTJZXGBRHNIVQN-UHFFFAOYSA-N 431.458 5.138 0 40 IKAB CCOc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cc1OC 19533748 PVNIKHVZLJKXAT-UHFFFAOYSA-N 449.473 5.337 0 40 IKAB Cc1ccccc1[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 20036374 VQCSEICBEAIINY-MYYVYBLQSA-N 437.970 7.095 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633477 FEMHTLKUJJQMPJ-DEOSSOPVSA-N 449.551 5.464 0 40 IKAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20735044 PDUVVKJRNNPGLE-IBGZPJMESA-N 438.742 5.076 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2)cc1 22523264 JOVSPVIJTUBTEP-MHZLTWQESA-N 441.958 6.747 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCC[C@H]1c1cccs1 24632115 MBXNBEGUJZSBPP-FQEVSTJZSA-N 449.576 5.953 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C(=O)N2 24926931 RIYUFRZYPROWLH-JOCHJYFZSA-N 448.448 6.341 0 40 IKAB Cc1nn(-c2ccc(NC(=O)c3ccc(Br)cc3)cc2)c(C)c1Br 28573003 YMLGMYIMCYVXEF-UHFFFAOYSA-N 449.146 5.266 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cnc(C)n1-c1nc(-c2ccc(F)cc2)cs1 32615948 FRTFNCZYGUFKEG-UHFFFAOYSA-N 442.903 5.358 0 40 IKAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1cc2c(cc1Cl)OCO2 32810200 CSQWJKWSDAAJDX-UHFFFAOYSA-N 438.892 5.363 0 40 IKAB c1cncc(-c2nc(N3CCN(Cc4csc5ccccc45)CC3)c3ccccc3n2)c1 32853509 BESJPSCGMYPSCX-UHFFFAOYSA-N 437.572 5.229 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 32883896 RWPNNJICMCKULL-UHFFFAOYSA-N 449.864 5.182 0 40 IKAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c(OC)c1 36359644 GZVWYPCVMVCPBH-XMMPIXPASA-N 448.563 5.137 0 40 IKAB CC1CCN([C@@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 36395311 SQDHASJEKBGIJK-SFHVURJKSA-N 431.652 5.065 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2cccc(OC)c2o1 38535159 CYKREDQOIUUVGH-UHFFFAOYSA-N 436.537 5.067 0 40 IKAB CCCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 39427746 KOOLQRGEXVQIEW-DEOSSOPVSA-N 445.567 5.392 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)o2)c1 39766838 MJXBSXBQXIUOHT-UHFFFAOYSA-N 448.482 5.323 0 40 IKAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N(Cc1ccccc1)Cc1ccccc1 39773358 HJBXACHOWRVCHA-UHFFFAOYSA-N 432.995 5.781 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)cc1 57312830 UISBNLQHXVEQAI-UHFFFAOYSA-N 437.967 7.226 0 40 IKAB Cc1ccc2c(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cccc2n1 57315645 DELCGOOQIBPZKU-UHFFFAOYSA-N 434.746 5.086 0 40 IKAB Fc1cccc(-c2noc([C@@H]3CCCN(c4ncc(C(F)(F)F)cc4Cl)C3)n2)c1 58159793 WRAJREWLUBTJHX-GFCCVEGCSA-N 426.801 5.327 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1nc2ccccc2n1C1CCCCC1 59309963 YDKGMMYKSTWUQW-UHFFFAOYSA-N 441.535 5.165 0 40 IKAB CCn1c2ccccc2c2cc(NC(=S)Nc3cccc(OC(F)(F)F)c3)ccc21 71326269 WQOUTSPIOPGNHD-UHFFFAOYSA-N 429.467 6.522 0 40 IKAB FC(F)(F)c1cccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)c1 71889891 QKEJIJXHKDUMPX-UHFFFAOYSA-N 438.449 5.929 0 40 IKAB Cc1ccc2[nH]c3c(SCC(=O)Nc4ccc(Br)c(C)c4)ncnc3c2c1 72331986 IDVTYCVGQHYVEJ-UHFFFAOYSA-N 441.354 5.221 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359642 FFWWKMPQABWJAJ-SFHVURJKSA-N 443.444 5.250 0 40 IKAB CCOc1ccc2cc([C@@H]3CC(c4ccc(F)cc4)=NN3C(=O)CC)c(Cl)nc2c1 79047177 CWFAMURIWMCQIM-NRFANRHFSA-N 425.891 5.514 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 96324373 XNKFQFSDEVAIOP-UHFFFAOYSA-N 427.435 5.246 0 40 IKAB Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 102705185 YWKQZWIISXPLLT-DKUYKNKOSA-N 443.568 6.133 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 222647855 WKZDLNTVRGPJNG-DEOSSOPVSA-N 426.576 5.214 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 222751364 DWUCYKBUMUBZRQ-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 222979974 IMZDJHMXYAYXHI-JWQCQUIFSA-N 426.589 5.798 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 223016388 PAEFFBNHZHUASA-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@H](C)c3cc(C(C)C)c(OC)cc3C)ccc2c1 223383270 QDRLUUCNZYYSMM-QGZVFWFLSA-N 427.566 5.328 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 224070622 CVUYVZTYRZTQPH-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(N(CC)S(=O)(=O)c3ccccc3)cc2)cc1 224361555 VNYBYUXMYVFIPZ-UHFFFAOYSA-N 436.577 5.497 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 224469813 ZBUGVSRDBHJVIA-NRFANRHFSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(C(C)(C)C)cc1 224519920 ZFDHDSHMTKLVKM-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 224615511 XFPVHSVJPFHGIK-GOSISDBHSA-N 433.017 5.073 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224806809 UJNWFPGGCLDOKZ-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224812612 BXKNMDSUIHSFJQ-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225333682 DBDRBFLPISRIGI-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1 225556179 XYTMALNCOVHBFW-UHFFFAOYSA-N 435.395 5.774 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCc2cccc(OC(C)C)c2)cc1Cl 225566132 CCYLUJPXSBNLRH-UHFFFAOYSA-N 434.989 5.223 0 40 IKAB C[C@@H](COc1ccccc1)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225783692 YNOOGQSLQGAGRH-IBGZPJMESA-N 446.616 5.969 0 40 IKAB O=C(CSc1nc(COc2cc(Cl)cc(Cl)c2)no1)Nc1ccc(Cl)cc1 226822575 AFAPVBMGUWEOPO-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 253505372 JVRUDYNTKOCRNP-CKQQWDMJSA-N 436.592 6.107 0 40 IKAB O=C(COc1ccc(CNc2cccc(C(=O)O)c2)cc1Cl)Nc1ccc(Cl)cc1 408609367 NCSVOFBCICMNDW-UHFFFAOYSA-N 445.302 5.321 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1C 408694660 LLGFBBQXQSQNLR-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2ccc(OC)c3ccccc23)S1 408808672 JYGDNVWMGFZGLM-UHFFFAOYSA-N 425.917 5.273 0 40 IKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)cc3)C(=O)O2)cc1 409003487 HKMHKPBIFAINNK-BWAHOGKJSA-N 427.500 5.789 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409006366 JDBBCFSWWCOJJE-UHFFFAOYSA-N 439.924 5.494 0 40 IKAB CSc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)c1 409184366 XPMYXUYYQQHNSR-ZYAQVELZSA-N 440.612 6.957 0 40 IKAB CO[C@@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Cl 585312832 NWSHQYSLMSYMMK-HNNXBMFYSA-N 425.756 5.495 0 40 IKAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(-c4cc(O)nc(-c5ccccc5)n4)cc3cc21 618256445 ITFTYBHVTPCTFJ-HNNXBMFYSA-N 427.504 5.345 0 40 IKAB Fc1ccc(-c2csc(N3CCN(C(=S)Nc4ccccc4Cl)CC3)n2)cc1 1349362 GCKGSBSJXJQAIG-UHFFFAOYSA-N 432.977 5.122 0 40 IKAB O=C(c1ccc(Cl)cc1)c1ncc(C(F)(F)F)cc1N1CCN(c2ccccc2)CC1 1401439 VWMUSTFENIUJII-UHFFFAOYSA-N 445.872 5.311 0 40 IKAB COc1ccc2c(-c3cc4ccc(OCc5ccc(F)cc5)cc4oc3=O)cc(=O)oc2c1 2215065 DLKZNFPNXSDUAY-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB COc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Cl)c2)cc1 2381024 WVIKFKHYROFLML-JOCHJYFZSA-N 431.875 5.200 0 40 IKAB Cc1ccc2c(COC(=O)/C=C/c3c(C)nn(Cc4ccccc4)c3Cl)cc(=O)oc2c1 2621845 ZHCXBPTXZBIIAL-ZHACJKMWSA-N 448.906 5.065 0 40 IKAB Clc1ccc([C@@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 2631710 AUMOLVLWYMBBFC-SANMLTNESA-N 448.957 7.451 0 40 IKAB O=C(CSc1c(-c2ccccc2)[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 2718348 UXLDJGREDKRNJD-UHFFFAOYSA-N 427.573 5.276 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 3011675 UZGOJTOBRWJVAI-QUCCMNQESA-N 444.457 5.421 0 40 IKAB Cc1ccc(NC(=S)N[C@@H](NC(=O)Nc2ccccc2)C(Cl)(Cl)Cl)c(C)c1 3168244 NJBQTUMDIQRCEJ-OAHLLOKOSA-N 445.803 5.108 0 40 IKAB Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 3206047 KNKWJXIDMWUYGH-UHFFFAOYSA-N 447.766 6.124 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)cc1 3252459 AHOFAJZCZXZWTA-UHFFFAOYSA-N 445.906 5.622 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N(C)c1ccccc1 3362725 QRAVDCARAHZQPP-GOSISDBHSA-N 426.545 5.349 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2cccc(Br)c2)n1 3450142 DRTSPTKVDSLAPN-UHFFFAOYSA-N 440.750 5.067 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c(C)c1 8752685 IHOPHOBYCJPOIH-SFHVURJKSA-N 447.941 6.014 0 40 IKAB Cc1ccc(Cn2c(-c3ccccc3)cc(C)c(S(=O)(=O)c3cccc(C)c3)c2=O)cc1 8781465 BDFUHGXFSMORQF-UHFFFAOYSA-N 443.568 5.322 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc2oc(-c3cccc4ccccc34)nc2c1 8832111 CUNBNECDJPUZBF-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)cc1 8871465 YDCHEXCMVWXDGH-JOCHJYFZSA-N 439.559 5.724 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1nc(SCc2ccccc2F)ncc1Cl 8917035 ZTPMGGCMANYITF-UHFFFAOYSA-N 441.837 5.833 0 40 IKAB CC(C)n1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1ccccc1F 9289876 AUCPYHUQFPTVGW-UHFFFAOYSA-N 427.530 5.006 0 40 IKAB CCOc1ccccc1[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 9292271 OLTVZUDKSIEUPR-UNMCSNQZSA-N 438.358 6.888 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 9304358 XYAHVIMQWBBBKK-PEELUZDISA-N 448.420 5.257 0 40 IKAB O=C(Sc1nc(O)cc(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 9374743 SMAAWIFNTFAWKK-UHFFFAOYSA-N 429.526 6.364 0 40 IKAB O=C(c1ccc(CNc2ncnc3scc(-c4ccc(F)cc4)c23)cc1)N1CCCCC1 9517016 CDCLEBIGASGIOA-UHFFFAOYSA-N 446.551 5.736 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)CCc1c[nH]c3ccccc13)oc1ccccc12 9780513 GEFSPUBJKRSKTE-UHFFFAOYSA-N 442.471 5.190 0 40 IKAB COc1cccc(-c2nc(CSc3nc(Cc4ccccc4)c(C)[nH]3)cs2)c1OC 9946871 QMPNGIJABVHYRA-UHFFFAOYSA-N 437.590 5.742 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@H]2c2ccccc2)cc1 10013885 AFIAVUVVKGGQAO-LJAQVGFWSA-N 430.551 7.216 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)s1 10059179 OUNFAZUNNPFPQD-NRFANRHFSA-N 432.328 5.062 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)S(C)(=O)=O)c1 10433900 VHLBMPZUDGDPMF-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB Cc1ccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc2c1C 11155886 XDCONSAKHFZISV-GFCCVEGCSA-N 441.405 6.107 0 40 IKAB CC(C)C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)c2cccc(F)c2)cs1 12219988 FBRXIAJANOLDFZ-UHFFFAOYSA-N 437.540 5.161 0 40 IKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3Nc3c2c(=O)oc2ccccc32)cc1 12561726 UWAIOUIGXXBGGQ-HSZRJFAPSA-N 435.483 5.533 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2OCc2ccccc2)c(C)n1Cc1ccco1 12567275 NYLBKGIQNHCVHD-UHFFFAOYSA-N 443.499 5.365 0 40 IKAB COc1ccc([C@H]2CCCN2Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)c(OC)c1 12773058 DAOKHLRSBJTPRG-LJQANCHMSA-N 444.988 5.083 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12986680 KOQNYZLQDJUGAU-UHFFFAOYSA-N 437.971 5.544 0 40 IKAB CCCCc1nc2cc(NC(=O)NCC)c(C)nc2n1Cc1ccc(Br)cc1 13502034 IJJDQOSGAWDEFS-UHFFFAOYSA-N 444.377 5.035 0 40 IKAB Cc1cccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)COC(C)(C)C3)c1 13554904 SBNXYMXBVBQRGM-UHFFFAOYSA-N 433.577 5.058 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 13568330 RQFRCGIYYQCYMZ-LJQANCHMSA-N 445.563 6.165 0 40 IKAB COc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 13689126 USKGQXQDFJKULZ-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1cc(CCC(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)on1 13728813 TWPJSKHRLHJRCA-UHFFFAOYSA-N 438.867 5.194 0 40 IKAB biogenic O=C(CSCc1cccc(Cl)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14227555 NOWXWLFOGMSRQS-UHFFFAOYSA-N 426.973 5.197 0 40 IKAB CC(C)c1ccc(CN2CC3(Cc4c2ccc2ccccc42)C(=O)CC(C)(C)CC3=O)cc1 15024457 LULBXQJDULKYTA-UHFFFAOYSA-N 439.599 6.471 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cccc(NC(C)=O)c3)c3ccccc3n2)cc1OC 15421853 ZHRREIOWUBGPHZ-UHFFFAOYSA-N 441.487 5.130 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@@H]1CCCc2ccccc21 16046133 JFMIPYIQRPHMAN-CXAGYDPISA-N 428.558 5.095 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 16284282 FBEKDMIOJOVWAH-UHFFFAOYSA-N 426.350 5.047 0 40 IKAB CCc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 16328695 NZWURHFDRNXGFG-CQSZACIVSA-N 426.567 5.166 0 40 IKAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(Cc3c(C)nn(C(C)C)c3C)CC[C@]21C 19713383 UMQVFMDSSVJCHZ-XNMGPUDCSA-N 436.644 5.325 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2S(=O)(=O)c2ccc(C)cc2)cc1 20285610 APHARBDAVXZSDM-BZZOAKBMSA-N 439.920 5.468 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 20765691 DCPGZMUALFUGCZ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1cc(C)cc(NC(=O)CSC2=Nc3ccccc3N=C(c3ccc(F)cc3)C2)c1 21096095 MEIRYFAPDDAAPK-UHFFFAOYSA-N 431.536 6.369 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 21531295 HOCYGRXUJFGMGP-IBGZPJMESA-N 443.478 5.125 0 40 IKAB COc1cc(OC)c(C2=CCN(C(=O)c3cc(C(C)C)nc4ccccc34)CC2)c(OC)c1 22186199 JWJXUKAAMAFHGF-UHFFFAOYSA-N 446.547 5.314 0 40 IKAB Cc1cc(Nc2cc(Cl)cc(Cl)c2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 27585746 NAQNQVVKDZNEOW-UHFFFAOYSA-N 437.252 6.774 0 40 IKAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc2N1C(=O)c1ccccc1 28206878 BDLDQNYZESTBMG-GOSISDBHSA-N 442.540 5.232 0 40 IKAB O[C@H](COc1ccc(Cl)cc1)CN(Cc1ccco1)Cc1ccc(Cl)cc1Cl 28580913 PTLJJJWABHHJIE-SFHVURJKSA-N 440.754 5.682 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccccc1Sc1ccccc1 30755111 CEXZSJYWPOMJKC-UHFFFAOYSA-N 434.413 7.017 0 40 IKAB c1ccc(Cn2c(CN3CCCCC3)nnc2SCc2coc(-c3ccccc3)n2)cc1 32708114 SKJZWCRCKROVSZ-UHFFFAOYSA-N 445.592 5.260 0 40 IKAB Cc1csc2nc(CNc3ccc(Oc4ccc(Br)cc4)cc3)cc(=O)n12 33040271 HACGTHQCGXFSLE-UHFFFAOYSA-N 442.338 5.231 0 40 IKAB COc1ccc(NC(=O)COc2ccccc2-c2noc(-c3ccc(Cl)cc3)n2)cc1 33325050 MLYDKRFAAIQLAB-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1ccc(NC2(c3nnnn3-c3c(C)cccc3C)C3CC4CC(C3)CC2C4)cc1 35170777 CXVRJELAEOZQBD-UHFFFAOYSA-N 429.568 5.051 0 40 IKAB COc1ccc(OC)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 35375971 KOUCUUMBOMVUAG-UHFFFAOYSA-N 441.361 5.352 0 40 IKAB CCc1c(C(=O)Nc2ccc(C)cc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639822 SDXTVXGOORHSPI-UHFFFAOYSA-N 437.503 5.507 0 40 IKAB O=C(c1cc2ccccc2[nH]1)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38534236 WEUZKZUBPBDFLE-UHFFFAOYSA-N 426.442 5.089 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(C(F)(F)F)c1)N1CCCC1 44087680 ITULRVCUDWKNOZ-UHFFFAOYSA-N 431.483 5.273 0 40 IKAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 44885485 UIDQFUYKNFIVCD-IBGZPJMESA-N 428.381 5.209 0 40 IKAB Cc1sc(=O)n(CC(=O)Nc2ccc(N3CCCCCC3)cc2)c1-c1ccc(F)cc1 58434371 QJSKMXQECULNMO-UHFFFAOYSA-N 439.556 5.043 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccccc1 59501080 PRIQGNSEDIVAJE-FMIVXFBMSA-N 425.600 6.510 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c(OC)c1 67294461 IRWMFAUCCQGJIO-PNHLSOANSA-N 434.879 5.588 0 40 IKAB COc1cc(-c2nnc(C3(c4ccccc4Cl)CCOCC3)o2)ccc1OC(C)C 71889723 YYJDJGQSYAPVGD-UHFFFAOYSA-N 428.916 5.282 0 40 IKAB O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349437 CWOLDXXXEIWSKM-IBGZPJMESA-N 425.454 5.111 0 40 IKAB COc1cccc(Cc2cccc([C@H]3CCCN(C(=O)CCc4ccc(F)cc4)C3)n2)c1 72350370 YNBLBYZEHNYJJY-QFIPXVFZSA-N 432.539 5.159 0 40 IKAB Cn1c(S[C@@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1-c1cccs1 79024290 OQIWSVKDIMLSHE-SFHVURJKSA-N 431.546 5.475 0 40 IKAB CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccc(C)c1 89677969 SMZQPOBYJIVSES-AREMUKBSSA-N 436.515 5.251 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2Cl)c(C)c1CC(=O)N(C)Cc1ccc(Cl)nc1 95951607 SMEIEUVFNDHMBW-UHFFFAOYSA-N 437.758 5.045 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 102665812 WOUXPYKSHMSUPC-PEBXRYMYSA-N 436.899 5.014 0 40 IKAB C[C@@H]1CC[C@@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2[C@@H]1C 104131444 ULWYRERWMYGJNF-UYFGVGDUSA-N 426.729 7.859 0 40 IKAB CO[C@]12C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H](C)[C@]1(CC[C@@H](C)CO1)O2 118936392 MZKXAXQZGWDJRJ-SEMFGACISA-N 446.672 5.768 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222703095 LRQVAVXUBHRMFG-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223495587 USDDUVPKIKDHLU-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccs2)ccc1NC(=O)C(C)C 224078042 KGNXXPTXHMFSKA-RTWAWAEBSA-N 436.606 5.223 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1 224147304 KJBFRCGESPCKIV-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1cccnc1 224155851 JPCFXSBKEHQTDR-DQEYMECFSA-N 439.588 5.120 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc2ccccc2c1 224319555 DXMCYVHWBDEFQJ-NRFANRHFSA-N 439.555 6.179 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224676628 YMUNIWWFUKYXOM-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COCc1ccccc1 224747345 JROFJMJDTYFSDG-UHFFFAOYSA-N 440.337 5.817 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224818050 JAUKDIQJLBMXGM-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)c(C)c1 225059098 HGJXGEQMQZOPIO-UHFFFAOYSA-N 434.384 5.462 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)cc1 225140814 OMOXXTOCGPLEOU-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225641790 OVONOEKGUDXFNZ-CVDCTZTESA-N 429.004 5.221 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OCC 225753682 FPQQQKROHKYCNV-UHFFFAOYSA-N 439.552 5.501 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1O[C@@H](C)CC 225759982 YOBUGUDZRFNPER-FQEVSTJZSA-N 437.580 6.190 0 40 IKAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010449 JTPCVCUAFMOUFP-SFHVURJKSA-N 439.629 5.514 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4ccc(F)cc4[nH]3)o2)c1 257207935 BJYIEFBJRALXQE-HSZRJFAPSA-N 433.483 5.262 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257298246 RKVRHOWZIHUIHM-RUZDIDTESA-N 434.967 5.946 0 40 IKAB CN(C)c1nc2ccccc2cc1CN1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 257339227 ZAUHRCYZGPMROK-MHZLTWQESA-N 440.566 5.763 0 40 IKAB COC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccccc2)n1 334160477 FOBKFMDGSWFPDS-UHFFFAOYSA-N 434.542 5.506 0 40 IKAB O=Cc1cc(Br)c(Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)o1 408558006 RJRSPKKOHPMDJX-UHFFFAOYSA-N 429.217 5.482 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408636252 MUKAVRZSOVNKTH-UHFFFAOYSA-N 449.001 5.318 0 40 IKAB Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)c(Cl)c1 408687748 UUVWLYQNARAQBL-UHFFFAOYSA-N 442.173 6.697 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(C)c2C)cc1 409028537 OQMJCWPQIFVHQV-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OS(=O)(=O)c1ccc(C)cc1 409110287 AXXFHBQLBWBZEW-UHFFFAOYSA-N 425.550 5.390 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1C 409117395 LQXNPFAILWMXKL-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409132055 OHNYWVHPVMRZTP-ONDHQXCVSA-N 437.989 6.143 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1ccc(Cl)c(Cl)c1 409265869 URYDZJHNPVQYJQ-UHFFFAOYSA-N 427.287 5.897 0 40 IKAB COc1ccccc1-c1ccc(C2(CNC(=O)CCCN3CCCC3)CCCCC2)cc1 585169173 UAJQSTZGTWGDDO-UHFFFAOYSA-N 434.624 5.556 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5ccccc5Cl)o4)C3)[nH]c2c1 1848353258 REMWCGQKJPXESM-LJQANCHMSA-N 433.939 5.728 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C2CCCC2)cc1 879003 FXXLNHFSCJCQCG-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB O=C(COc1ccc(C(=O)Nc2ccccc2Cl)cc1)Nc1cccc(Cl)c1Cl 937245 OIDWCAWIPVUFFS-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB Cn1c(-c2c(C(C)(C)C)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)nc2ccccc21 945291 NXSJAUZGINZULY-UHFFFAOYSA-N 432.520 5.596 0 40 IKAB biogenic Cc1ccc(C(=O)CSc2nnc(CNc3nc(-c4ccccc4)cs3)n2C)cc1C 1340115 CRXJIWDYBFZMJM-UHFFFAOYSA-N 449.605 5.143 0 40 IKAB Cc1sc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1353808 NVMMNVCESGFXGV-UHFFFAOYSA-N 425.598 5.573 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1cccc(OC)c1 1463886 BZQTXNXFPJCTAW-UHFFFAOYSA-N 444.483 5.381 0 40 IKAB c1ccc(Nc2nc(Nc3ccccc3)nc(Sc3nc4ccccc4s3)n2)cc1 1757041 RFMGLUFCGUIXHF-UHFFFAOYSA-N 428.546 6.120 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2069726 JGVMUOPWPMLMFA-UHFFFAOYSA-N 436.511 6.257 0 40 IKAB COc1ccccc1Oc1c(C)oc2cc(OCc3ccc(F)cc3Cl)ccc2c1=O 2377470 CMZFJJQTSKBUDW-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic Cc1ccc(C)c(NC(=O)CSc2nnc(SCc3ccc(Cl)cc3)s2)c1 2378831 MNLBVRSUVAKVTG-UHFFFAOYSA-N 436.027 5.831 0 40 IKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)cc4Cl)nnc32)cc1Cl 2415512 RGUOKKNOULTVMO-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2C)n1-c1ccccc1 6444228 AJDZZYMVTIZEHD-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1C1CCCCC1 6878515 DYYGCXRTUMVUBV-IBGZPJMESA-N 434.609 6.191 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)COc2cccc3ccccc23)c1 8453385 ZSQKLKREQVWAEF-UHFFFAOYSA-N 440.499 5.508 0 40 IKAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1 8755499 YUQUFDJIIXRWDO-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB O=C(O)[C@H]1CC(=O)N(CCC23CC4CC(CC(C4)C2)C3)C(=Nc2ccc(Cl)cc2)S1 8856155 HLPZEZRNGAXCJH-VYBOSXCSSA-N 447.000 5.353 0 40 IKAB CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc4c(c3)CCCC4)c2c1=O 8919448 RNLPWUIJJDFBKT-UHFFFAOYSA-N 443.572 5.205 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccs1 8922818 LVLLQSYBZDXGIB-OAQYLSRUSA-N 432.328 5.062 0 40 IKAB CCOc1ccccc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9071743 JPHVQXGACIGRCC-UHFFFAOYSA-N 427.504 5.161 0 40 IKAB Cc1[nH]nc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)c1-c1ccccc1 9129848 WFJGZJXPSIYSBZ-UHFFFAOYSA-N 425.315 6.644 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1CCN=C1SCc1c(F)cccc1Cl 9277434 FJBXZCMWABFPKG-UHFFFAOYSA-N 441.355 5.422 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2Cc2ccco2)cc1 9307624 OVYOLPOSRBTYCT-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 9509297 WNWHWEIWCYSSCK-HNNXBMFYSA-N 425.529 5.160 0 40 IKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9514713 ZNBLCDYRDQMHFP-JOCHJYFZSA-N 435.495 5.543 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9805614 IHYHASZHSBSUCG-OLILMLBXSA-N 432.567 7.350 0 40 IKAB CC(C)S(=O)(=O)c1ccc(C(=O)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 10253614 JEWTWLPMTAUFKA-UHFFFAOYSA-N 436.558 5.398 0 40 IKAB COc1ccc(-c2nsc(NC(=O)c3oc4ccc(Br)cc4c3C)n2)cc1 12111366 VUZRNHWVSIMJOG-UHFFFAOYSA-N 444.310 5.283 0 40 IKAB COc1cccc(-c2csc(-n3nc(C)cc3NC(=O)C34CC5CC(CC(C5)C3)C4)n2)c1 12442088 JPQNEVCPUHWCPU-UHFFFAOYSA-N 448.592 5.468 0 40 IKAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCC[C@H]1c1nc2ccccc2s1 12751209 IFEJGMDAOASLLD-QHCPKHFHSA-N 444.556 5.618 0 40 IKAB Cc1cc(F)ccc1NC(=O)CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1 12763427 VNWSZEFGIIFIGV-UHFFFAOYSA-N 445.566 5.033 0 40 IKAB COc1cc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc(OC)c1 12983548 VJOPPURSKUFCKP-UHFFFAOYSA-N 432.476 5.293 0 40 IKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1)c1ccsc1 12995577 NCRLJTMESGDVFI-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(Cl)c(Cl)c3)c2n1 13149144 CGSWKXMNVBFRHB-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716703 CWVUJYFBGDOCGF-XMMPIXPASA-N 436.577 5.154 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCCO4)nc3ccc(C)cc23)cc1 16348253 BUUDLDOXCYMPGQ-UHFFFAOYSA-N 426.472 5.242 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccc(Cl)cc1 16605957 BQSXIVRFJRFEFT-AEXOJCPESA-N 440.027 6.766 0 40 IKAB CCCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CCCC)cc3)nc2cc1C 16637763 XWXAKXYIWALFSM-UHFFFAOYSA-N 437.613 5.465 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)nc12 17094687 HXDCLQQEDZGGKR-UHFFFAOYSA-N 425.966 5.847 0 40 IKAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294047 GRQAIGYUAOOWMN-JOCHJYFZSA-N 431.515 5.275 0 40 IKAB CC1(C)CC(N(Cc2cccnc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)N1 19461033 YLETUWOSZWQSEJ-UHFFFAOYSA-N 444.623 5.367 0 40 IKAB Cc1c(CN2CCO[C@@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)oc2ccccc12 19703307 STAFLXCTDUJHQH-OAQYLSRUSA-N 449.576 5.063 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(C)c2)c1 20152726 FPNFGXMSFWDJHK-UHFFFAOYSA-N 438.549 5.053 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 20451683 JHYDFXSHWLCPLT-HRFSGMKKSA-N 444.600 5.569 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20484308 XGTAHPGWXHHFJJ-UHFFFAOYSA-N 437.561 5.415 0 40 IKAB Cc1ccccc1-n1c(S[C@H](C)C(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 21372862 LEGDHKAKGBJVJB-QGZVFWFLSA-N 439.544 5.483 0 40 IKAB COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=S)N=C3O)cc2c1 21596688 ZULXOHAWSSQVKL-LICLKQGHSA-N 444.990 6.377 0 40 IKAB COc1cc(CN[C@@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F 22074185 WIFIVMIGEPWVTQ-INIZCTEOSA-N 444.344 6.027 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 26124337 JARQBYUVGNJYNJ-UHFFFAOYSA-N 431.710 5.941 0 40 IKAB NC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCCC2 32125076 XJKVPTZIGFEUHI-UHFFFAOYSA-N 426.582 5.181 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38860417 XJUSIRCMCKZCJH-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB O=C(/C=C/c1cccs1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 39772430 ASYYGZFXGSBHGF-OUKQBFOZSA-N 432.530 5.171 0 40 IKAB Cc1cccc(OCCNC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)c1 40123056 UAMGRHTWWOTKCZ-LJQANCHMSA-N 432.524 5.078 0 40 IKAB COc1cccc(C2=Nc3ccccc3N=C(SCC(=O)Nc3cccc(C)c3)C2)c1 44166914 DZJXNJVHWWUSCS-UHFFFAOYSA-N 429.545 5.930 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1cccnc1 44905112 SHWBXHLBCLVGBQ-NRFANRHFSA-N 439.968 5.174 0 40 IKAB COc1ccc(NC(=O)COc2ccccc2-c2nc(-c3ccccc3Cl)no2)cc1 46012324 SMVYQKKKZFXFOW-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1nc(CN2CCN(c3nc(-c4cccs4)nc4sc(C)c(C)c34)CC2)cs1 57315408 YOOQKLAJEWXSHB-UHFFFAOYSA-N 441.651 5.124 0 40 IKAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)NCc1cc(-c2cccc(Cl)c2)no1 66089165 BPHVHBURCOYMEY-UHFFFAOYSA-N 443.290 5.303 0 40 IKAB Cc1ccccc1-n1nnnc1SCC(=O)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 73667008 MBHISWGVCIIKMM-UHFFFAOYSA-N 438.597 5.246 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1C 95116676 YBPXRNKREHAKQH-XMMPIXPASA-N 435.527 5.591 0 40 IKAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCCc4c3[nH]c3ccc(OC)cc43)cs2)cc1 96223577 VFYVHGLBBLFGMW-QFIPXVFZSA-N 447.560 5.045 0 40 IKAB CC(C)(C)[C@@H]1C/C(=C/c2ccc(Cl)c(Cl)c2)c2nc3ccccc3c(C(=O)O)c2C1 96399887 DKMYIVARJYEHKS-DDITZMBXSA-N 440.370 7.389 0 40 IKAB CCc1cccc(N2C(=O)N(C(=O)c3cccc(Cl)c3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032884 CBTMXGDHIQFRDC-BKMJKUGQSA-N 446.934 6.225 0 40 IKAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 101161583 UMZFKDLJITZBCJ-NXCFDTQHSA-N 434.495 5.199 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2cc(F)cc(F)c2)C[C@@H](c2ccccc2)C1 102667103 AGNJPSRFCATBJL-BLVKFPJESA-N 446.379 5.640 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(C)cc1 102794846 CXLDHSSULMVOMU-PZGXJGMVSA-N 436.555 6.955 0 40 IKAB COC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 113958638 RRDRKQRGKXJZFX-UHFFFAOYSA-N 442.559 5.180 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223541486 APUIRDJZBWBBBN-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223563384 FVVOXQPWSBTWCH-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 223916315 OPYFABGIFHQMGV-INIZCTEOSA-N 441.000 5.860 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)c1 224131588 ZEWHYORYPFWSCL-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224238073 SNQKGIJBNRZHQF-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224343865 DYVOUSNSFHYXAH-LOSJGSFVSA-N 442.563 5.751 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224422532 ZIOXMXFNVPMQQS-SFHVURJKSA-N 449.422 5.342 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccc(C(C)(C)C)cc1 224526019 INSUDMRKGCZGRG-UHFFFAOYSA-N 447.575 5.900 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc2ccccc2c1 224638712 LBYIIDOSZFHTBW-UHFFFAOYSA-N 445.946 6.401 0 40 IKAB CSc1ccc([C@@H](CC(=O)O)NC(=S)Nc2cccc(-c3csc(C)n3)c2)cc1 225219045 AOEPYVGWIHVZHL-GOSISDBHSA-N 443.619 5.343 0 40 IKAB CCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225327769 RYYBRKANIPDKPT-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB C[C@H](NC(=S)Nc1ccc(CSc2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 225405476 XUDWXVRIRZWZDQ-IBGZPJMESA-N 434.674 7.324 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 225657006 MRDKTEQGDKTGMX-GBXCKJPGSA-N 442.575 5.015 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 225742889 NWWAAQNITUDCIE-QGZVFWFLSA-N 436.574 5.373 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(Cl)c(C(F)(F)F)c3)CCCC2)cc1 225854580 QENHNKRBEWPGPQ-UHFFFAOYSA-N 428.907 6.123 0 40 IKAB O=C(c1[nH]nc2c1CCCCC2)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 257279538 OHCKBMVCXGVYSJ-UHFFFAOYSA-N 448.998 5.338 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)Cc3ccccc3F)CC2)n1 257308781 TYBUWUAOJFXJMM-XUTJKUGGSA-N 446.570 5.434 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)c2ccccc21 409113741 FEESCACELCOEKK-NDENLUEZSA-N 437.898 5.974 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409114702 PUUHPIZLWPIFDA-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1ccccc1F 409115353 RJOONELWGRYVQF-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccccc3Cl)c12 409148551 QLUYIAQFBDNWMM-MTJSOVHGSA-N 438.980 6.350 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(C)c(C)c1 409203952 ZXARCKCTNBFWGQ-UHFFFAOYSA-N 436.625 5.216 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(OCC)c(OCC)cc2Br)C1=O 409216308 GVNLDEKPVRGMHY-BOPFTXTBSA-N 442.375 5.473 0 40 IKAB CN([C@@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(Cl)s1 507551569 ODXHXSOMDHMUBE-LLVKDONJSA-N 438.821 5.022 0 40 IKAB Cc1cc(-c2nc3cc(F)ccc3s2)ccc1NC(=O)N[C@@H]1CCCc2c1cnn2C 542392623 RDGHRNLLGKPKQG-GOSISDBHSA-N 435.528 5.343 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037845559 BUAZIMAVMSCWPN-INIZCTEOSA-N 437.902 5.559 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(NC(=O)c2cccs2)c1 1262097 INMWRGFTWVIYQD-BQYQJAHWSA-N 447.343 5.968 0 40 IKAB Cc1cc(C)n(-c2nc(-c3ccccc3)c(S(=O)(=O)c3ccc(Cl)cc3)s2)n1 1390240 BQWVLDAVKKOYAP-UHFFFAOYSA-N 429.954 5.099 0 40 IKAB FC(F)(F)c1cccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 1773023 BHKWKEJCLRWIDE-UHFFFAOYSA-N 434.248 7.366 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(Cl)cc1C 1916447 GUGXWXCXAPOFEV-UHFFFAOYSA-N 443.952 5.880 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccc(O)c(OCC)c1)Nc1ccccc1-2 2084592 LNZFIKJEPNNFLF-NRFANRHFSA-N 438.553 5.428 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3)cc2oc1=O 2393959 KWMICAXRMTYYNS-UHFFFAOYSA-N 435.303 5.483 0 40 IKAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1 2647039 KLQQDBUUVTXAQW-QHCPKHFHSA-N 441.531 5.142 0 40 IKAB Cc1nn(C(C)(C)C)c(OC(=O)c2ccco2)c1Sc1c(F)c(F)c(F)c(F)c1F 2718667 VLMAGJMVOJLVRS-UHFFFAOYSA-N 446.397 5.605 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2S[C@H](C)c2ccccc2)cc1 2721834 SKXAGEMYXRQWRI-MRXNPFEDSA-N 425.531 5.929 0 40 IKAB Cc1sc2ncn3nc(-c4ccc(COc5ccc(F)cc5Cl)o4)nc3c2c1C 2791236 OCOLSXCRHARVOS-UHFFFAOYSA-N 428.876 5.587 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3)c2C(=O)OC)cc1 2889755 MZGGXPBDHYPGNT-UHFFFAOYSA-N 439.533 5.316 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)cc1Cl 3224079 DYNSFRVPAPRLEC-HSZRJFAPSA-N 430.891 5.733 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Sc1cccc[n+]1[O-])c1ccccc1 3224400 FGUHXNTYWILLSA-SFHVURJKSA-N 438.858 5.464 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccccc1)Nc1cc(Cl)cc(Cl)c1 3230270 UYUFNOKEZCUZSB-UHFFFAOYSA-N 430.287 5.368 0 40 IKAB O=C(c1cccc(Oc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 3234350 XPDLCXKIGGHHPL-UHFFFAOYSA-N 426.438 5.460 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 3338313 SVCHSAVUWINTEW-QGZVFWFLSA-N 430.533 5.394 0 40 IKAB C[C@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3379084 ZUJZWWXYCGMUSF-AWEZNQCLSA-N 429.303 5.921 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1ccccc1SCC(=O)N1CCc2ccccc21 3415308 PECLQWBUPZSWIG-QHCPKHFHSA-N 442.584 5.175 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)-c1ccccc1C2 3422016 XCFHAUSFQQNSSF-MHZLTWQESA-N 432.523 5.758 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109801 PMCAHUPOULKUQE-UHFFFAOYSA-N 446.513 6.371 0 40 IKAB COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 4144002 BTUTYNXWDXRDAN-WHTOPFKPSA-N 431.576 5.335 0 40 IKAB C[C@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 4177815 HXFMAPRWVFBYGN-LOWVWBTDSA-N 432.899 5.273 0 40 IKAB CCN(CC)CCCNc1cc(-c2ccccc2)nc2cc(-c3ccc(OC)cc3)nn12 4980519 LKPVTAPNCRCDPN-UHFFFAOYSA-N 429.568 5.216 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4oc3=O)cc2)cc1 6075367 JIKXIVGIDDSYCO-UHFFFAOYSA-N 440.499 5.595 0 40 IKAB Cc1csc(-n2c(C)cc(C(=O)CSc3nnc(C)n3C3CCCCC3)c2C)n1 8745770 MOJVULFHZSFAMW-UHFFFAOYSA-N 429.615 5.239 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@@H]21 8790967 WKRYGEUBDXPPFD-HOYKHHGWSA-N 444.918 5.529 0 40 IKAB biogenic CC(=O)Nc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 8791675 LGEHOAMRUYUDOJ-UHFFFAOYSA-N 446.503 5.303 0 40 IKAB biogenic CCCCCCOc1ccc(-c2nc(-c3ccc(Br)cc3)cc(=O)o2)cc1 9069354 PLKGOHJTCRIKFJ-UHFFFAOYSA-N 428.326 6.090 0 40 IKAB COc1cc(-c2c(NC(=O)c3ccccc3)sc3ccccc3c2=O)cc(OC)c1OC 9187046 ZMFKPDQKRXRUQQ-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB CC(C)N(C(=O)CSc1nncn1-c1ccccc1)c1ccc(Nc2ccccc2)cc1 9220995 FJFBAGSWEVOWFO-UHFFFAOYSA-N 443.576 5.545 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)c1 9361070 QXPPUQVEJBPCFJ-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1cccc(CSc2cn(CCNC(=O)c3ccc(Cl)cc3)c3ccccc23)c1 9391895 NGAICKLWNJPUPT-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3C)oc2cc1C 9435193 GBLKQEBEAJFRBO-UHFFFAOYSA-N 433.508 5.686 0 40 IKAB CCN(Cc1cccs1)C(=O)/C=C/c1ccc(OCc2c(C)noc2C)c(OC)c1 9448440 FFWPDCBUHIYJSI-PKNBQFBNSA-N 426.538 5.002 0 40 IKAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)cc2)cc1 9633272 DIVKGIOAUYMOCZ-UHFFFAOYSA-N 448.862 5.339 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 9684449 TZEZZBBNNZDYTI-LBPRGKRZSA-N 446.935 5.200 0 40 IKAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCCC[C@@H]1c1nc2ccccc2s1 9714274 FLLOYPQDHFVBCN-DGXIYAMASA-N 428.561 5.308 0 40 IKAB COc1ccc(OC)c(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2C[C@H]2CCCO2)c1 9934854 ZSGOSLWRYWDPHZ-BCHFMIIMSA-N 446.547 5.251 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccccc3-c3cc(C)nn32)cc1 10058935 DTIBEYXKOIHUPZ-MHZLTWQESA-N 433.515 5.692 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)cc1OC 10246674 SABKGDAXQZZZOO-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB O=C(Nc1cc2ccccc2cc1NC(=O)c1cccc(Cl)c1)c1cccc(Cl)c1 11617071 GIZYIQXVCCCPJV-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3ccc4c(c3)ncn4[C@H](C)c3ccccc3)cc2)cs1 12463248 IJAHQDLAQAGNNH-QGZVFWFLSA-N 438.556 6.330 0 40 IKAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1cc(-c2cccs2)nc2ccccc12 12559798 BUDRMISDRJSBJE-UHFFFAOYSA-N 441.459 6.243 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 12617798 SZEABVCPVGDZES-INIZCTEOSA-N 444.240 5.279 0 40 IKAB O=C(CCc1c(-c2ccc(F)cc2)[nH]c2ccc(F)cc12)N1CCC[C@H]1c1cccs1 12681180 MOXOAZVNXMKJJG-QFIPXVFZSA-N 436.527 6.471 0 40 IKAB COc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1OC 12881907 YYTMHJJOXRRATO-UHFFFAOYSA-N 442.968 5.515 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2CSCC(=O)NCc2cccs2)cc1 12936277 MASSIWZWLCGTEF-UHFFFAOYSA-N 449.601 5.159 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)cc1 13108828 HSHXDXDCZGHIRY-IBGZPJMESA-N 440.543 5.957 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccccc1 13115148 MJWHWBRLKJZRPN-JOCHJYFZSA-N 444.560 5.292 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c1C 13499979 PCOXZLZMNRRVHZ-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB CCCCc1nc2cc(NC(=O)c3ccccc3)c(C)nc2n1Cc1ccc(OC)cc1 13509661 YBTQPFVIXCMHSG-UHFFFAOYSA-N 428.536 5.392 0 40 IKAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 13786073 RYHSIGZJXBTJAV-JOCHJYFZSA-N 449.938 5.438 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 13942455 UPSRTAGRGBASRX-NIYFSFCBSA-N 426.491 5.698 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C 14117513 BSURVHXIPSRQTB-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 14413490 MACIXZBAGPAIAC-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1OCc1cccc2ccccc12 15222132 NBJLNAVRPVTHIW-UHFFFAOYSA-N 442.540 6.009 0 40 IKAB Oc1ccccc1C1=NC2(CCN(Cc3ccccc3)CC2)N[C@H](c2ccccc2F)C1 15830568 LQDWAUZCWBQYCN-DEOSSOPVSA-N 429.539 5.047 0 40 IKAB COc1cccc(CNCCc2ccc(F)cc2)c1OCc1ccc(Cl)cc1Cl 16228248 CNWSKEBJMFZMBZ-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB CCOc1cc(CN[C@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16611386 JZERZUJBCMDERO-MRXNPFEDSA-N 432.775 5.485 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 16750268 WFTLUCWRJFLDIW-UHFFFAOYSA-N 448.887 5.731 0 40 IKAB CC(=O)N1N=C(c2ccc(C)c(C)c2)Sc2c1nc(-c1ccc(Cl)cc1)n2C(C)=O 16777370 FXVBILDLTFORNU-UHFFFAOYSA-N 438.940 5.301 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 17095614 YZQSSSPVGLFQIO-UHFFFAOYSA-N 427.751 5.017 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)c1 17098334 QPLIZEWNHXYGCA-UHFFFAOYSA-N 433.331 6.807 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cc(-c2nc3cc(C)cc(C)c3o2)ccc1Cl 17100836 DFZVPUFGQODDFE-UHFFFAOYSA-N 436.895 6.035 0 40 IKAB O=C1CS[C@H](c2ccc(Br)cc2)N1c1ccccc1Oc1ccccc1 17198350 VLTSSYSKMOYJGH-OAQYLSRUSA-N 426.335 6.020 0 40 IKAB CCOc1cc2c3c(c1)[C@@]1(SCC(=O)N1c1ccc(CC)cc1)C(=O)N3C(C)(C)C=C2C 19647849 OGHVWESYYZKRCO-AREMUKBSSA-N 448.588 5.123 0 40 IKAB COc1cc(C)ccc1CN1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 19764734 YQMHRPAXCBQKTN-QHCPKHFHSA-N 448.542 5.221 0 40 IKAB CCN(CC)CCCNC(=O)CC(C)(C)CC(=O)NC1CCCCCCCCCCC1 19822919 NSJRUPDFMWUPHD-UHFFFAOYSA-N 437.713 5.430 0 40 IKAB Cc1ccc(-c2csc3ncc(C(=O)Nc4ccc(C(F)(F)F)cc4)c(=O)n23)cc1 20394126 ICJBGRHQTALOBA-UHFFFAOYSA-N 429.423 5.003 0 40 IKAB CC(C)(C)c1ccc(-c2noc(CCCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 20445578 JYAWUWIYBJYGBG-UHFFFAOYSA-N 431.458 6.014 0 40 IKAB CC1CCC(NC(=O)c2ccc3c(=O)n(Cc4ccc(Cl)cc4)c(=S)[nH]c3c2)CC1 20644040 VQQWKBQUEISASJ-UHFFFAOYSA-N 441.984 5.069 0 40 IKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 20970441 LIUIJINYNWVWPS-QFIPXVFZSA-N 430.895 5.323 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1 22529130 NBIGRMKCBSHRAE-UHFFFAOYSA-N 449.967 5.324 0 40 IKAB CCc1ccc2nc(NC(=O)C3CCN(c4ccc(C(F)(F)F)cn4)CC3)sc2c1 25746856 FHXHGSKSYOSQFO-UHFFFAOYSA-N 434.487 5.128 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1 32126484 ZTXIRQDPECRHIE-UHFFFAOYSA-N 440.377 5.517 0 40 IKAB COc1c(Br)cc(Br)cc1CNc1ccc(Cl)c(Cl)c1 37200354 ZOBLCWLEXMGZFK-UHFFFAOYSA-N 439.962 6.139 0 40 IKAB COc1cccc(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)c1OC 39379117 HPTKYQHRIUQVLQ-UHFFFAOYSA-N 436.507 6.602 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078994 HQJOBKGSJVHKQA-UHFFFAOYSA-N 426.850 5.464 0 40 IKAB COc1cccc([C@@H]2CCCN2C(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 48313685 WUUFPHZIWMINRI-FQEVSTJZSA-N 426.513 5.156 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 57313399 YZLAHMQVKQTWAO-WYMLVPIESA-N 445.588 5.709 0 40 IKAB CC(C)=CCC/C(C)=C\CC/C(C)=C\CC/C(C)=C/CO[P@@](C)(=O)O[P@](C)(=O)O 71404876 NNNJMOLVDKLYQL-PYGSTSJCSA-N 446.505 7.803 0 40 IKAB O=c1c2sccc2nc(SCc2ccccc2Cl)n1CCc1ccc(Cl)cc1 71768758 WHNIGQUAKJXRQK-UHFFFAOYSA-N 447.412 6.300 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@@H](c2nnc(-c3cccs3)o2)C1 72390524 QBZIJSFVJIJUTN-MRXNPFEDSA-N 443.528 5.442 0 40 IKAB Cc1ccc2oc(CN3CCC([C@@H](NC(=O)C(C)(C)C)c4nccs4)CC3)c(C)c2c1 72394603 IINWLOKNNJHZFI-JOCHJYFZSA-N 439.625 5.622 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1cccc(C)c1 79112238 OSHPVQBTSAXSLE-AREMUKBSSA-N 449.554 5.843 0 40 IKAB COc1cccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)c1 89469813 SWCCEJXYZGJLKG-GOSISDBHSA-N 425.282 5.042 0 40 IKAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)[C@H](C)c2nc3ccccc3s2)c1 95385628 HQRGVXJEBXMEEN-HXOBKFHXSA-N 431.561 5.678 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@H]1c1ccccc1 95945266 YWXKHYAWRJDBIN-VWLOTQADSA-N 439.946 6.561 0 40 IKAB Cc1ccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)cc1 100219425 TVSJOHKXERYDOO-GRGXKFILSA-N 440.547 5.226 0 40 IKAB CCc1cccc(C)c1NC(=O)CCCN(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 222381896 DHUWCRNOSRUELP-UHFFFAOYSA-N 443.396 5.049 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222664393 HPEFDBDKHSWBAQ-JOCHJYFZSA-N 442.603 5.541 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222713459 JZHGKRDGGUXIIN-INIZCTEOSA-N 449.422 5.387 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 223361064 BOPFOHRSDWPLEC-FQEVSTJZSA-N 433.017 5.154 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 223710815 GPFZEMIBVYHTNX-SFHVURJKSA-N 429.004 5.124 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)cc1 223993356 ZDAIAWUYYPNABR-UHFFFAOYSA-N 448.569 5.615 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224018608 YPMDLVWOMLQURG-SFHVURJKSA-N 447.044 5.214 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)c1 224232474 ZBDXELLJNKOOSP-DQEYMECFSA-N 430.621 6.101 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1ccccc1 224363049 CCHRBTYZPKSRIF-UHFFFAOYSA-N 444.300 5.818 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1CSc1ccc(C)cc1 224662927 BHMYDLSKBCAANX-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CSc1ccc(Cl)cc1 224676565 HYZNEUPCYAOJMB-UHFFFAOYSA-N 440.952 5.382 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224705768 ONUFVCRPLUBQHO-NRFANRHFSA-N 438.637 5.094 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1 224950595 NUIAPFDIGNEBSS-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cc(C)ccc1C 225092533 BZYQXBUISWMWIV-AREMUKBSSA-N 434.624 5.411 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)s2)cc1C 225148364 DYSBIWVSCHSIGF-YADHBBJMSA-N 436.606 5.286 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225193493 JISNOACDYOZCNN-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225535333 NCHFAGRUWLIWDN-UHFFFAOYSA-N 449.551 5.018 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225573932 RVIIXXAARYYZNN-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB O=C(Cn1ccc(=O)c2ccc(Br)cc21)Nc1ccccc1Oc1ccccc1 225742263 BTWUHCBTCWVZAF-UHFFFAOYSA-N 449.304 5.195 0 40 IKAB Cc1cc(N2C[C@@H](C)C[C@@H](C)C2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919221 FCMUHVWFRXGDKL-CALCHBBNSA-N 435.597 5.014 0 40 IKAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225972717 YUKXENROOPWLAM-KRWDZBQOSA-N 444.048 5.307 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)o1 226302817 XYAATUJGAKSNNF-UHFFFAOYSA-N 429.354 6.354 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)on2)cc1 257283108 OWUHQLOLWQRCOH-QHCPKHFHSA-N 443.503 5.296 0 40 IKAB CCOc1c(Br)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408554213 BWBXJVZOGUGVBQ-SFHVURJKSA-N 442.762 5.288 0 40 IKAB Fc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408572372 GNRHJSJDXBXPQI-UHFFFAOYSA-N 438.326 6.316 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2Cl)nc1-c1ccc(F)cc1 408698367 MYUYMVQFTZNTCF-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2cccc(Cl)c2)cc1 408699325 WHJMNCDRORGZLP-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2ccccc2Cl)N1c1cccc(Br)c1 408844852 POXNZWOBDPMIOW-XDHOZWIPSA-N 438.712 5.332 0 40 IKAB COc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)cc1C(C)C 409051659 FMLAFTBXQKWZPB-BKUYFWCQSA-N 429.513 5.381 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c1C 409094848 GAOPYTHWANWVCT-UHFFFAOYSA-N 428.989 5.602 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cccc(OCc2ccc(Cl)cc2Cl)c1 409095365 CCUNUPBUHFROMF-NHDPSOOVSA-N 428.340 6.658 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC)c3ccccc32)ccc1OCc1cccc2ccccc12 409110546 DXPQEYMPCJIMPO-ITYLOYPMSA-N 449.550 6.725 0 40 IKAB CC(C)Cc1nc(Cc2cccc(F)c2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265394 NIXPGXKAWFMANP-UHFFFAOYSA-N 442.328 6.138 0 40 IKAB FC(F)(F)c1nc(-c2cccc([C@@H]3CCCN(Cc4ccnc5ccccc45)C3)n2)no1 585266373 UXBQWPCVZLDZCW-MRXNPFEDSA-N 439.441 5.078 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3ccc(C)cc3)Cc3ccccc32)c1 643566777 YPTAHZNNBBDNLI-UHFFFAOYSA-N 442.603 6.227 0 40 IKAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=O)c2sc3ccccc3c2Cl)cc1 643274 UUVWIUUCXYLHDP-AWEZNQCLSA-N 448.997 5.370 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1Br 722606 JVDZDJBUUIWAMS-UHFFFAOYSA-N 449.688 5.209 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)c[nH]2)sc(C)c1C 853495 LHKMWQUNHOBBOX-UHFFFAOYSA-N 449.985 5.316 0 40 IKAB O=C(CSc1nnc(CNc2ccc(F)cc2)o1)N(c1ccccc1)c1ccccc1 862168 SRUBJQLKZNFHKW-UHFFFAOYSA-N 434.496 5.278 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3cccc(Cl)c3)cc2c1 1371404 WHJQLMJUTNEXTI-NRFANRHFSA-N 439.943 5.011 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 2078815 JCLPKHCPYIPPEX-UHFFFAOYSA-N 430.507 7.255 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 2079778 YRYQEWGTSZHIAH-UHFFFAOYSA-N 442.990 7.549 0 40 IKAB O=C(NCCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(-c2ccc(F)cc2)n1 2117717 IKCNTQDUJRRIMV-UHFFFAOYSA-N 427.454 5.634 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1nc(C)c(C)s1)C3=O 2210465 IJUDZERPRPWWLS-JOCHJYFZSA-N 444.556 6.048 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cccnc4)nc3c2)cc1Br 2355934 HQPCPTZZILDKQD-UHFFFAOYSA-N 438.281 5.303 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 2441627 CMFHVJPJUFEJCG-UHFFFAOYSA-N 434.590 5.267 0 40 IKAB O=C(N[C@@H](CCSCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 2583226 ASWSJAABSXCHBY-DEOSSOPVSA-N 447.556 5.302 0 40 IKAB COc1cccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 2589867 USFTWXPSWQDLAU-DEOSSOPVSA-N 443.572 6.222 0 40 IKAB CC[C@@H](C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1)n1nc(C)c(Cl)c1C 2805188 SMHRKIXISOAKOK-ZDUSSCGKSA-N 440.352 5.398 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 3320049 VEMDDCAGEBPOQK-UHFFFAOYSA-N 445.902 6.123 0 40 IKAB CCCCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1 4359525 LAWSQXSRCNPHIS-UHFFFAOYSA-N 425.598 5.382 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3C)n2)cc1 4704926 ZGQBSXBOXIOQRO-UHFFFAOYSA-N 425.536 5.116 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)ccc2c1 6523081 MIQWJXJGTXMVNG-GRJZNYKUSA-N 426.553 5.499 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(Cl)ccc3c2Cl)sc(C)c1C 6599480 JAGNHZJRKZTGCH-UHFFFAOYSA-N 428.362 6.315 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 8432153 BLYJFJOYWDBESV-KRWDZBQOSA-N 433.573 6.359 0 40 IKAB COc1ccc(-c2c3c(nc4sc(C(=O)c5ccc(F)cc5)c(N)c24)CCCC3)cc1 8451224 PFQSBQDELWNYBE-UHFFFAOYSA-N 432.520 5.803 0 40 IKAB CC(C)(C)c1cc(-c2nn3c(Cn4cnc5ccccc54)nnc3s2)cc(C(C)(C)C)c1 8706336 JKSDSAYJSXKHTM-UHFFFAOYSA-N 444.608 5.846 0 40 IKAB CCCCCCc1c(C)c2cc(Cl)c(OC(=O)c3ccc(OC)cc3)cc2oc1=O 8742947 YQFXLHWWCHUBHW-UHFFFAOYSA-N 428.912 6.105 0 40 IKAB biogenic Cc1ccc(SCC(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)C(C)C)cc1C 8747864 YQWZRERRGWPBFS-UHFFFAOYSA-N 438.515 5.290 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 8784706 XQYUKJVCRHPRMX-UHFFFAOYSA-N 430.892 5.235 0 40 IKAB COc1cc([C@H]2OC(c3cccc(Cl)c3)=NN2C(C)=O)ccc1OCc1ccccc1 8843068 IWLTWUARNDWMFZ-XMMPIXPASA-N 436.895 5.167 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CN(C(=O)C(C)C)CC2 9035844 COEIBVSUSQQNRR-UHFFFAOYSA-N 437.927 5.096 0 40 IKAB CCOc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292834 XLFGJRLYWRFFKK-GGAORHGYSA-N 448.364 6.344 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccc(Cl)cc3c2=O)cc1OC 9348532 ALCAKFBWUMZXKU-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB Nc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc2nc(-c3ccncc3)ccc12 9380772 WWZAOROUYXTXRP-UHFFFAOYSA-N 429.332 5.177 0 40 IKAB Cn1ccnc1SCC(=O)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 9477249 MHVHRBBKGJEZQR-UHFFFAOYSA-N 438.553 5.008 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)cs1 9516344 GKKZMBJCQKTOGY-QFIPXVFZSA-N 449.576 5.326 0 40 IKAB C[C@H]1CC[C@@H](C)CN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 9556695 NFBZLNYJLUCADR-KGLIPLIRSA-N 435.515 5.000 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cncc(Br)c3)n2)c2ccccc12 9594070 OHWTYHXINKLBCY-UHFFFAOYSA-N 440.322 5.382 0 40 IKAB CC[C@@H]1CCCCN1C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 9644064 VDNYJXBMOBDQHB-GXTWGEPZSA-N 428.048 5.588 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 9908148 PPCDMOIUQINUQH-UHFFFAOYSA-N 443.528 5.277 0 40 IKAB COc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@H]2CCCO2)cc1 9953246 FWQFFWKSOWXHDT-HXUWFJFHSA-N 448.548 5.080 0 40 IKAB COc1ccc([C@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(OC)c1 9976346 YSLBVEOVWRKJMJ-GOSISDBHSA-N 433.430 5.110 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3oc2=O)cc1 11866194 OCFSVOUBDROTCC-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(Cl)cc32)cc1 12485143 NVUCFXBRIDOSQU-UHFFFAOYSA-N 433.939 5.961 0 40 IKAB O=C(CSc1ccccc1C(=O)N1CC=C(c2ccccc2)CC1)NCC1CCCCC1 12678053 AWIUVIJUVBJZKP-UHFFFAOYSA-N 448.632 5.405 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccc2ncsc2c1 12682379 JWKVPFVQMNUKCW-UHFFFAOYSA-N 443.937 5.003 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)Nc1nc(CN2C[C@H](C)C[C@@H](C)C2)cs1 12740911 CKPJOLDTPGYFHV-HUUCEWRRSA-N 426.611 5.305 0 40 IKAB CC[C@@H](COC(=O)c1ccccc1C(F)(F)F)NC(=O)c1ccccc1C(F)(F)F 12797793 FPSXHPDAHHWEQI-LBPRGKRZSA-N 433.348 5.090 0 40 IKAB O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccco1)Cc1cccs1 13083058 MJSMONKOEOZVIS-UHFFFAOYSA-N 432.570 6.248 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)NCC1CCCCC1 13084522 WIFGRIKCUVMOCK-UHFFFAOYSA-N 425.985 5.739 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)N1c2ccccc2SC[C@@H]1c1ccccc1 13114229 QTJUHVYLGQLFQH-HXUWFJFHSA-N 445.569 5.709 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(NC[C@@H]4CCCO4)s3)cs2)cc1 13128712 SWKYGCDKKPGNTO-AWEZNQCLSA-N 425.004 5.198 0 40 IKAB Cc1ccc(C)c(NC(=O)Cc2nc(CSc3nnc(-c4cccs4)o3)cs2)c1 13150110 UGLSDHPKBSJWCT-UHFFFAOYSA-N 442.591 5.345 0 40 IKAB CCCC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 13803860 PBUSJNIVZMAKRV-UHFFFAOYSA-N 430.979 7.356 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 15441326 WTUMBPKZNPJDGB-UHFFFAOYSA-N 445.491 5.990 0 40 IKAB COc1ccc(C)cc1CN(C)Cc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1 15509909 YLZJVLFEVJAFBH-UHFFFAOYSA-N 439.968 5.254 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NC(=S)Nc1nc2ccc(Cl)cc2s1 16431206 JOJQYGFEOGQKEZ-UHFFFAOYSA-N 446.768 5.149 0 40 IKAB O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccccc1Cl 16450340 TVNRCEPSSOEYDB-UHFFFAOYSA-N 444.387 6.060 0 40 IKAB Brc1ccc(-n2nnnc2/C=C/N(Cc2ccccc2)c2ccccc2)cc1 16479423 YPMOIUZSGGVDQB-FOCLMDBBSA-N 432.325 5.102 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 17099954 VPLOOMXQUZRYMQ-UHFFFAOYSA-N 436.309 5.562 0 40 IKAB CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 19933437 CBKUEHIQQXRXMB-UHFFFAOYSA-N 427.548 5.030 0 40 IKAB Cc1oc(-c2ccccc2Cl)nc1CSc1nc2c(=O)[nH]cnc2n1-c1ccccc1 20343029 YRTKHLOZKCOENM-UHFFFAOYSA-N 449.923 5.018 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccc(F)cc3)c2)cc1 20482081 BQFIGMIHRZCJHS-UHFFFAOYSA-N 440.540 5.317 0 40 IKAB CCOc1ccc2nc(Nc3nc4c(c(-c5ccc(C)cc5)n3)CCCC4)nc(C)c2c1 20798182 IAMAGHYKHARBRP-UHFFFAOYSA-N 425.536 5.725 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1nn(-c2ccccc2C(F)(F)F)c(C)cc1=O 26766726 KAXKUTIHRWIQMN-UHFFFAOYSA-N 429.442 5.244 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2Cl)cc1)C1CCN(C(=O)c2ccncc2)CC1 30180641 COOYZKLVGSZCKZ-UHFFFAOYSA-N 435.911 5.018 0 40 IKAB O=C(Nc1ccc(-c2nc(-c3ccc(F)cc3)no2)cc1)c1ccc(Br)o1 32623626 JPOKRIQLPYRQPP-UHFFFAOYSA-N 428.217 5.151 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5o4)ccc3Cl)o2)cc1C 33412446 MNGXGFSYUYXGHB-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CC(C)(C)[C@@H]1C/C(=C/c2ccccc2C(F)(F)F)c2nc3ccccc3c(C(=O)O)c2C1 33732222 FYOLBVHLKZRVDS-TXQCQQFXSA-N 439.477 7.101 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCCC1 34689799 FCWYUJMGLCCHRJ-BQYQJAHWSA-N 425.743 5.908 0 40 IKAB O=C(/C=C/c1ccco1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38533977 UPXHZPHRHHMMOD-OUKQBFOZSA-N 441.531 5.160 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 57313301 IVJBKCSYZSJVKN-UHFFFAOYSA-N 437.392 6.697 0 40 IKAB CN(Cc1ccccc1N1CCOCC1)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58124259 UCBRZLQIPCEFSG-RJAVSUSUSA-N 444.619 5.020 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 67245391 CLHIMCGGCAJCML-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4cccc(C)c4)s3)oc12 67339471 ZNLHBFSPWCJNOX-VOTSOKGWSA-N 438.936 6.102 0 40 IKAB CC(C)n1cnc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc21 72356475 HHBHJJCJWWESOP-NRFANRHFSA-N 442.538 5.838 0 40 IKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 100503883 SLBBMVAFOFXSKA-ZBVBGGFBSA-N 447.534 5.509 0 40 IKAB CCCC[C@H](CC)COc1cc(C=O)c(OC[C@@H](CC)CCCC)cc1Br 117848724 SBIYPVFZPRKKOC-OALUTQOASA-N 441.450 7.452 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cnn(-c2ccccc2)n1 208010905 PYAYFMVALCJCNA-UHFFFAOYSA-N 441.491 5.449 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 209940826 DANVKGKAPIZZNV-DNQXCXABSA-N 426.545 5.058 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222848609 IPDLSFLSEYSCRO-PMACEKPBSA-N 432.376 6.029 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 223030743 VQUUVWVESXDZIT-QZTJIDSGSA-N 433.017 5.154 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 223087308 RZPBFPLYXCYLEP-ZEQRLZLVSA-N 431.609 5.189 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223223275 KWQXDTRPZDQKIP-OAQYLSRUSA-N 432.967 5.052 0 40 IKAB CCOc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Cl 223946382 NGCCESCONXIGFP-UHFFFAOYSA-N 434.967 5.286 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031374 RFSQBCQPLUNBOF-UHFFFAOYSA-N 442.968 5.518 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)c1 224519328 JIZMNUKWUFAKFA-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C2CCCCC2)c1 224585927 CLTJISSOMHYHFL-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)CCCN(c1ccccc1-c1ccccc1)S(C)(=O)=O 224902201 DWXHNRVWRXXCJX-UHFFFAOYSA-N 444.641 5.231 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 225165977 VLCCRFASKNQEET-LJQANCHMSA-N 447.044 5.215 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)C1 225432090 MDMOCWYNBGZZHI-OAHLLOKOSA-N 426.973 5.343 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NC2(CCc3ccccc3)CCCC2)cc1Cl 225866881 HVBIHFUIHJWZAV-UHFFFAOYSA-N 431.001 5.749 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@@H](C)[C@H]3C)o2)cc1 245265026 FSIBKOHHWYESGA-WOCWXWTJSA-N 430.618 5.004 0 40 IKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1cccc(F)c1F 257229969 GAEJCUDBUAXDEQ-JCNLHEQBSA-N 448.473 5.267 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)s1 257328493 XFWASYPKWRBSSZ-LJQANCHMSA-N 429.973 5.288 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)OCC(C)C)C3=O)cc2)cc1 408533863 RCXFCGRAZYRLLE-NDENLUEZSA-N 441.574 5.382 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccccc1F 408611707 QWCLVQQQNAIOFP-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2c(CC)cccc2CC)C1 408641113 KNYHLWOYUOKNPZ-GOSISDBHSA-N 443.385 5.128 0 40 IKAB COc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 408648424 WKBUPHJCWCZRAN-MRXNPFEDSA-N 436.895 5.133 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408678097 FPUHJYMVFMRDSL-GOSISDBHSA-N 432.800 5.854 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)c1 408698778 PMJFXPCFWPEATN-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1NC(=O)CC 408698933 TYKJXWSQMYXESB-UHFFFAOYSA-N 440.521 5.027 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\S[C](Nc2cc(C)ccc2OC)NC1=O 408802817 HTJRXXSBUQPPCU-UHFFFAOYSA-N 433.553 5.709 0 40 IKAB Clc1ccc(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)o2)c(Cl)c1 408866905 HITXYCFMCBWUDE-UHFFFAOYSA-N 436.147 6.555 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccccc1OCc1ccc(C(=O)O)cc1 409102748 FBFYBZWXASOJDN-ODLFYWEKSA-N 439.389 5.475 0 40 IKAB CCCN(CCC)C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409208225 AWLBULXWSAWTPZ-UYRXBGFRSA-N 446.956 5.285 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409344104 IVMLFUZLJFZIBA-RSZPVBOMSA-N 438.549 5.156 0 40 IKAB CC(C)(C)OC(=O)Nc1ccccc1OCCOc1ccccc1NC(=O)OC(C)(C)C 642881912 DGWUOUOPAFEZMP-UHFFFAOYSA-N 444.528 5.838 0 40 IKAB COc1cc(C)c(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1C(C)C 1526036909 NSMGCYKJTLCDNY-YBFXNURJSA-N 443.956 5.783 0 40 IKAB COc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1cccc(F)c1F)CN2Cc1ccccc1 1848354073 PAINVYZGCSALFO-GNKBHMEESA-N 448.557 5.464 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc(F)c(Cl)c2)cc1 2037872552 AMKZXKJHGAAFBH-UHFFFAOYSA-N 427.859 5.307 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)cc1 646738 KMVLUBOATILBCB-UHFFFAOYSA-N 442.437 5.538 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 714857 ANILZHIAVXONTN-XJKSGUPXSA-N 440.809 5.051 0 40 IKAB COc1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)coc3c2)cc1 952086 UAXAKLNFQBZKTL-UHFFFAOYSA-N 435.863 5.140 0 40 IKAB Cc1ccc2c(CSc3nnc(COc4cccc5ccccc45)o3)cc(=O)[nH]c2c1C 977045 UJRSCIQHMNIKPZ-UHFFFAOYSA-N 443.528 5.552 0 40 IKAB COc1ccccc1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 1352931 XHQDLARPCWJYLI-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB O=C(O)c1ccccc1C(=O)n1c(COc2ccc(Cl)cc2Cl)nc2ccccc21 1452862 YUEFNJYCZITXLG-UHFFFAOYSA-N 441.270 5.309 0 40 IKAB c1ccc(-c2oc3ccc4ccccc4c3c2-c2ccc(OCCN3CCCC3)cc2)cc1 1716418 WVTGNUJIBOIUOM-UHFFFAOYSA-N 433.551 7.395 0 40 IKAB Cc1ccc(-c2c3c4n(c(-c5ccccc5)cn4c2C(=O)Nc2ccccc2)CCCC3)cc1 1812532 MUEYJKXAHSOBQU-UHFFFAOYSA-N 445.566 6.972 0 40 IKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1cccc(C(F)(F)F)c1 1912378 ROFAKCVCRYQKOC-UHFFFAOYSA-N 428.332 6.193 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2cccc(F)c2)c1C 2546540 YZSISXMDWSTCCL-HSZRJFAPSA-N 431.536 6.353 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1cc(Cl)ccc1Cl)c1ccccc1 2623860 WHEOTOODGYZIGW-OAQYLSRUSA-N 432.372 6.864 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1 2715873 DPDOLNREVYTSEN-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB O=C(CCCSc1nnc(NC2CCCCC2)s1)c1ccc(Br)cc1 3316714 NXKYBCWTGKALSU-UHFFFAOYSA-N 440.432 5.800 0 40 IKAB Cc1cc2nnc(S[C@@H](C)C(=O)Nc3ncc(Cl)cc3Cl)n2c2ccccc12 3334170 XMHKOOZOKWYFJQ-NSHDSACASA-N 432.336 5.012 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 3442050 SISIINBODPOVOP-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)cc1 3655499 XMABQDXMLZOPTQ-IBGZPJMESA-N 427.500 5.995 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 4703981 DHSVTFWFAGBJSR-UHFFFAOYSA-N 427.976 5.164 0 40 IKAB C[C@@H](CC[C@@H]1CCCO1)OC(=O)CCCCCCCC(=O)O[C@H](C)CC[C@@H]1CCCO1 5743042 NCHOJZHFMFWTMB-BJESRGMDSA-N 440.621 5.499 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1OC 6591652 GAZAZNIWRNDPRY-BTYIYWSLSA-N 428.598 6.125 0 40 IKAB CC(C)Sc1nc(-c2cc3c(c(SC(C)C)n2)CCCCC3)cc2c1CCCCC2 8439347 VTEFUNIRFGFUGB-UHFFFAOYSA-N 440.722 7.682 0 40 IKAB CN(C)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C2CCCCC2)cc1 8440417 VANHBMADIXCHBA-VHXPQNKSSA-N 441.622 5.205 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2)cc1 9008127 KAEZAQFUKSATGV-ISKFKSNPSA-N 439.342 6.634 0 40 IKAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c3occ(-c4ccc(N5CCCC5)cc4)c3cc12 9185141 UJWPJLRAIOHUQA-UHFFFAOYSA-N 431.488 5.440 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1 9257764 RILPZRQGQOMYIQ-KRWDZBQOSA-N 446.370 5.201 0 40 IKAB Clc1ccc2nc(CSc3nnc(-c4cccs4)n3Cc3ccccc3)cn2c1 9403815 SKFXHFCDHZUZHL-UHFFFAOYSA-N 437.981 5.648 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1-c1ccccc1)c1ccccc1 9616758 KIBRDLXVQFAVHB-UHFFFAOYSA-N 444.560 5.088 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1OC 9631734 TUWMYEHOSLYRSQ-UHFFFAOYSA-N 449.507 5.184 0 40 IKAB Cn1ccnc1S[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 9642458 KKKDAFALEXSFMR-MRXNPFEDSA-N 425.863 5.564 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cn2cc(-c3cccc(Br)c3)nc12 9805830 KGHYNMNDQZJJHD-UHFFFAOYSA-N 428.333 6.436 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nnc(NCc3ccccc3)s2)c2ccccc2S1 9952817 SVOMIWLBYKBOMH-HNNXBMFYSA-N 442.635 5.160 0 40 IKAB O=C(CCCS(=O)(=O)c1ccccc1)Nc1ccccc1-c1nc2ccccc2s1 10218324 MAVSCXVHLBIMBU-UHFFFAOYSA-N 436.558 5.156 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 10433959 IJJRUUHYKUDHHA-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(-c2cccs2)nc2ccccc12 11847347 IVAFCGHRHIBICJ-UHFFFAOYSA-N 442.496 6.139 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193120 HEHATUBMJXRNOU-FYYLOGMGSA-N 435.321 5.700 0 40 IKAB COc1cc(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)cc(OC)c1OC 12418837 GSNMPWWKMMDCKJ-UHFFFAOYSA-N 426.416 5.074 0 40 IKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(-c2nc3ccccc3o2)cc1 12521983 PTPIBHVOIUWWRY-UHFFFAOYSA-N 437.455 5.700 0 40 IKAB C[C@H](Sc1nnc([C@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 12554260 JNOUMFJSCLPXCS-KBPBESRZSA-N 432.952 5.046 0 40 IKAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 12616355 QYUSSMQBUHWCPX-OAHLLOKOSA-N 428.315 5.696 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H]2c2cccs2)cc1 12677905 WMGKZMPDTHSWIL-QHCPKHFHSA-N 430.573 6.201 0 40 IKAB CCn1c(S[C@H](C)C(=O)NC2CCCCC2)nc2scc(-c3ccccc3)c2c1=O 12799708 CIYYAEBTVHJYJF-OAHLLOKOSA-N 441.622 5.074 0 40 IKAB O=C(NCc1ccccc1)[C@@H](c1ccccc1)N(C(=O)Cc1cccs1)c1ccccc1 13496640 AEAAQHMZDTZZOE-AREMUKBSSA-N 440.568 5.382 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1cccc2ccccc12 13635689 CXZJLCGNRSIQRC-UHFFFAOYSA-N 427.895 5.467 0 40 IKAB O=C(CSc1ccc(Cl)cc1)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14128576 DKVMMIIGXOHLNA-NRFANRHFSA-N 429.900 5.494 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 14273337 ILRCMJQXOOSPPU-SNVBAGLBSA-N 449.359 5.791 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C)cc2)cc1 15412328 GHNUJSYBMIHPOW-AREMUKBSSA-N 428.532 5.132 0 40 IKAB O=C(CCSc1ccccc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 15881815 FXQVZECCNOOVOT-UHFFFAOYSA-N 441.528 5.685 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc4c(cc2Cl)OCO4)N3)C1 15945752 VORJTHCALATLOZ-NSPYISDASA-N 432.973 6.100 0 40 IKAB Cc1ccc2nc(-c3ccc4c(c3)OCCO4)cc(C(=O)Nc3ccc(Cl)cc3)c2c1 16348250 BOLIHYHMGFARHM-UHFFFAOYSA-N 430.891 5.887 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(F)cc1 17086209 MVSTXZCFSVQGLB-KGENOOAVSA-N 445.446 5.097 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)COc1ccc(C)cc1C 17096934 VVSCAASZKFKOPV-UHFFFAOYSA-N 430.504 5.755 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1 19644402 RZXBEVLBBWVUOY-UHFFFAOYSA-N 446.395 5.316 0 40 IKAB CC(=O)N(CCN1C(=O)c2cccc3c(Cl)ccc(c23)C1=O)c1cccc2ccccc12 20161659 WOVSFFBWBFRRJF-UHFFFAOYSA-N 442.902 5.296 0 40 IKAB O=S(=O)(Nc1ccccc1Sc1ccccc1)c1ccc(Oc2ccccc2)cc1 20481993 AESBOLVYXLEWTF-UHFFFAOYSA-N 433.554 6.431 0 40 IKAB Cc1ccc(Nc2nc(C)c(NC(=O)c3cccc(C)c3)c(Nc3ccc(C)cc3)n2)cc1 21152991 YNFKBEBYEQSOEV-UHFFFAOYSA-N 437.547 6.450 0 40 IKAB Clc1ccc(Oc2nc3ccccc3nc2/C=C/c2ccc(Cl)cc2Cl)cc1 24522908 XLVLYPIQGRRCNC-WUXMJOGZSA-N 427.718 7.553 0 40 IKAB CCOc1cc([C@H]2NC[C@@H](c3ccccc3)c3c2[nH]c2ccccc32)ccc1OCC(C)C 25719464 OTJQJEUYFTUZQO-NEKDWFFYSA-N 440.587 6.426 0 40 IKAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OCC 30863060 LSLZPENSQACASZ-UHFFFAOYSA-N 428.381 5.340 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32127265 DOWCAYFIEOFRDG-UHFFFAOYSA-N 437.524 6.083 0 40 IKAB C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)Cc1cccc(C(F)(F)F)c1 32900339 SERQZPKBALNTEU-QGZVFWFLSA-N 440.465 5.720 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccco3)cc2s1)Nc1ccccc1Cl 33000617 CWDDUQZHQGDSDT-UHFFFAOYSA-N 443.937 5.526 0 40 IKAB COc1cccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c1 35290201 HQGVURJDBRQTOU-UHFFFAOYSA-N 434.540 5.152 0 40 IKAB CSc1ccc(Cl)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 35302148 GZHCTLGKLGZPTK-UHFFFAOYSA-N 437.008 5.609 0 40 IKAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)Nc2nc(C(C)C)cs2)n1 35476121 QNHPAHUWWPVJLI-UHFFFAOYSA-N 434.521 5.309 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 39773197 SBRZQSFRJQOCHP-UHFFFAOYSA-N 448.482 5.323 0 40 IKAB CCN([C@@H](c1ccc(C)cc1)c1cccnc1)S(=O)(=O)c1ccc(C)c2ncccc12 72313057 ARIJWHXKFDLHEM-VWLOTQADSA-N 431.561 5.047 0 40 IKAB Cc1ccccc1-c1noc(C[S@@](=O)Cc2csc(-c3ccccc3Cl)n2)n1 84247707 DGNAJLUIQCQOCI-MUUNZHRXSA-N 429.954 5.271 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccc(F)cc1 214240885 WHTOODQBUIPDNC-LPYMAVHISA-N 437.467 5.780 0 40 IKAB Cc1cccc(CSCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 218871042 LSQLMBXRJACTFK-UHFFFAOYSA-N 436.415 5.309 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccccc1C(=O)c1ccccc1 219468692 IIWHZHGQQJSBAH-UHFFFAOYSA-N 434.495 5.450 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1Cl 219773567 JOGKJYJJDUSYLE-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222440711 VHKYNDOJPXNKOA-VWLOTQADSA-N 436.640 5.557 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223028641 JHZHRJBESFSLFY-PMACEKPBSA-N 448.375 5.267 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)N[C@H](C)c4ccc(Cl)cc4)ccc32)c1 223085879 NIYNCFNXLPLPHP-GOSISDBHSA-N 432.951 5.732 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@@H]1CCCO1 223322314 KDYQFMFREVJYNW-MTNREXPMSA-N 439.968 5.147 0 40 IKAB CCCCOCc1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)ccc1OCC 224727216 PPAFXINYCRCYCJ-UHFFFAOYSA-N 430.759 6.615 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224738250 WRDYKEGJEBSFNN-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 224813518 NSEFGLPXXQWOAN-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225528800 WGIWIWVSEDQQGB-UHFFFAOYSA-N 449.422 6.165 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCCCC2)cc1 225768950 NDQXFIYEYJFYCE-UHFFFAOYSA-N 431.576 6.724 0 40 IKAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225984044 XPGFMUQGCUNXIP-UHFFFAOYSA-N 432.593 5.766 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)nc2)c1 257238166 HJWBQVRQNBNGOO-QFIPXVFZSA-N 446.566 5.504 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 257305668 SQZGMTYMNAKXML-HSZRJFAPSA-N 442.456 5.737 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 260759561 GXNCZORZSHCQSE-FOVJLYNBSA-N 431.630 6.521 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(Cl)cc1 408602730 AOHLWOBFPMACLH-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCCc1nc(S/C(=C\c2cccc(OCc3ccc(Cl)cc3)c2)C(=O)O)n[nH]1 408630746 CKACAFOSEIGATB-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 408669852 PCLBKDWEUPWYAK-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408786893 PAWRYUOOXISJFM-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccc4c(c3)OCO4)sc3c2CCCC3)cc1C 409118748 QTBKNRMXOUTFTN-UHFFFAOYSA-N 448.544 5.477 0 40 IKAB COc1cccc2cc(C(=O)N3CCC[C@]4(CCCN4Cc4cccc(F)c4)CC3)oc12 585100709 UJEZHWNAMLTANG-SANMLTNESA-N 436.527 5.241 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(-c2ccc3ccccc3c2)s1 586565233 OWLCBBJFIVQIGJ-UHFFFAOYSA-N 432.759 7.781 0 40 IKAB COc1ccc(NC2=C[C@@H](c3ccc(C(C)C)cc3)N(c3ccc(OC)cc3)C2=O)cc1 783564 JKIBHVCFDONATR-SANMLTNESA-N 428.532 5.911 0 40 IKAB COc1ccccc1N1CCN(c2ncnc3sc(C)c(-c4ccc(F)cc4)c23)CC1 952472 JRIDWNKSOGLIGF-UHFFFAOYSA-N 434.540 5.141 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(F)ccc4C)c3n2)cc1 1003103 SAOPHBLWMUYNQR-UHFFFAOYSA-N 426.398 5.042 0 40 IKAB CCCc1nc2sc3c(SCC(=O)Nc4ccccc4)ncnc3c2c2c1CCCC2 1244381 QIPWPTGTTWUCAM-UHFFFAOYSA-N 448.617 5.802 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CC=C(c2ccc(F)cc2)CC1 1328217 KFUDGJMYBGQWFM-OAQYLSRUSA-N 425.939 5.099 0 40 IKAB CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4ccc(C(C)=O)cc4)cc3)c2nc1C 1336357 SQYRLMASBFFWSA-UHFFFAOYSA-N 441.535 5.107 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)c1 1376452 WAWCJBKZXAMGCJ-UHFFFAOYSA-N 448.592 5.757 0 40 IKAB Cc1ccc(N2C(=O)[C@H](CSc3ccc(Br)cc3)[C@@H]2c2ccccc2)cc1 1394092 DXGAUROYEGPQDM-YADHBBJMSA-N 438.390 6.254 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OC(=O)c4cccs4)ccc3c2=O)cc1 1448031 UZEBCHXISMXCRZ-UHFFFAOYSA-N 446.402 5.768 0 40 IKAB biogenic CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1746554 TYTWZJWNOZULHL-GOSISDBHSA-N 428.623 5.745 0 40 IKAB COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccccc3C)c(OC)c2)cc1Cl 1912568 MBGPNVKKEKHKSH-UKTHLTGXSA-N 437.923 5.897 0 40 IKAB CCN(CC)C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21 2083322 LOFMOFMAWPKIMA-SANMLTNESA-N 448.610 6.831 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(-c3cc(Br)ccc3Br)o2)cc1 2179672 GTXVDOWXOTZCNQ-UHFFFAOYSA-N 436.147 6.226 0 40 IKAB Cc1ccc2nc(-c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)cc(C(=O)O)c2c1 2377672 ALWIDUVWRVONJB-UHFFFAOYSA-N 431.797 6.841 0 40 IKAB FC(F)(F)c1cccc(-n2c(SCc3ccccc3)nnc2-c2ccc(Cl)nc2)c1 2564923 JKMWNDKDRVSUDS-UHFFFAOYSA-N 446.885 6.294 0 40 IKAB COc1cccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)c1 2589869 NYSWSIFFJTUCHC-DEOSSOPVSA-N 434.605 6.201 0 40 IKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cc1)c1cccs1 2708464 QUECTDQGOAESDH-IBGZPJMESA-N 426.912 7.527 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(C)cc3)c2Cl)cc1 2733493 VWSSBYRVAIRLHM-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3ccccc3Cl)ccc21 3229754 OHRJYKYGPYVKEI-SDNWHVSQSA-N 432.907 5.663 0 40 IKAB Cc1ccc(-n2c(SC[C@H](O)COc3ccccc3)nnc2-c2ccccc2)cc1C 3323944 NBOFMQHIGSVOMN-JOCHJYFZSA-N 431.561 5.083 0 40 IKAB Clc1ccc(-c2nc(-c3ccc(-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)c(Cl)c1 8740953 PWSAQAGYZPKQPL-UHFFFAOYSA-N 441.361 8.385 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)cc1C 8810367 ACKDJURGZTYQMU-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923569 UXAQLWXPNRLOML-OWJWWREXSA-N 440.326 5.247 0 40 IKAB O=P(Nc1ccc(Cl)cc1F)(Oc1ccccc1Cl)Oc1ccccc1Cl 9065543 XWBHVYOOBXQKJV-UHFFFAOYSA-N 446.629 7.464 0 40 IKAB CCN(CC)CCCNc1nc(SC(C)C)nc2sc3c(c12)C[C@](C)(CC)OC3 9184830 WPEIKYFQJGDGRW-QFIPXVFZSA-N 436.691 5.577 0 40 IKAB Cc1ccc(N2C(=O)N(Cc3c(F)cccc3Cl)c3ccccc3S2(=O)=O)cc1F 9319396 HAYROKIXXDNLEW-UHFFFAOYSA-N 448.878 5.262 0 40 IKAB COC(=O)c1ccc(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)cc1 9404649 ZPXRDRBSULNNIX-UHFFFAOYSA-N 442.496 5.080 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1C 10026883 HOWPUDZSXJYTLP-QGZVFWFLSA-N 429.545 5.808 0 40 IKAB COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381614 QTAPMKABWFVLNP-VQHVLOKHSA-N 438.578 5.008 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(OCCC(C)C)cc4)cc3)sc2c1 12137612 ACDRRBAGOIIBLS-UHFFFAOYSA-N 430.573 6.949 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N3CCC[C@H]3c3cccnc3)cc12 12563417 JEMUYCRHYCQOCL-FQEVSTJZSA-N 436.968 5.480 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nnc(NC(C)C)s3)n2)cc1 12589277 DVOOGZBTSGJFBP-GFCCVEGCSA-N 433.628 5.164 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2C1 12623511 XLJZNDQVAFMYSA-CQSZACIVSA-N 442.437 5.174 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3cn4ccccc4n3)n2C2CCCC2)cc1 12659280 DCJYJHTUZSADLM-UHFFFAOYSA-N 431.609 6.298 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(COc2ccccc2Cl)o1 12675745 IACKYMNHLWXIJH-UHFFFAOYSA-N 445.972 5.221 0 40 IKAB Cc1cc(C(=O)Nc2ccc(NC(=O)Nc3ccccc3)cc2)c(C)n1Cc1cccs1 12771517 RTEVCTIFRFWQHL-UHFFFAOYSA-N 444.560 6.111 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccccc2-c2ccc(Cn3cccn3)cc2)cc1F 12788189 WRVPBSCXGMQRFE-GOSISDBHSA-N 429.495 5.237 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)cc3Cl)[nH]c(=O)c12 13039884 CBAUNTPWKXQBIU-LBPRGKRZSA-N 438.424 5.820 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)o3)cs2)cc1 13113156 FZMRKJBXGFNDGL-UHFFFAOYSA-N 448.342 6.054 0 40 IKAB Cc1ccc(C)c(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 13129084 OTXXFAVHZQSSKC-UHFFFAOYSA-N 428.410 5.501 0 40 IKAB COCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2ccc(F)cc2)s1 13510026 QGXDKSVULADQCS-UHFFFAOYSA-N 433.508 5.304 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628404 HNTGZDPKUVHMQJ-UHFFFAOYSA-N 430.548 6.276 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CCCCOc2ccccc2)cc1 13658679 TYOWPQHQAYAIBQ-HSZRJFAPSA-N 426.604 7.246 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3ccc(Cl)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 13813587 PZLPXIVALIBXDY-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cccc(C)c4C)cc3)nc2c1 13946101 MFAKRCPRSZNYGH-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB COc1cccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3cccc(OC)c3)c2C)c1 13960650 OFZGOZAMBJFMNH-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB Cc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)cc1F 14199615 LFLNAUTVQRSPKC-UHFFFAOYSA-N 439.516 5.833 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 15015877 HVHRMSADHOKAQS-UHFFFAOYSA-N 436.946 6.977 0 40 IKAB CN(c1ccccc1)c1ccc([C@H]2Nc3ccccc3C(=O)N2CCOc2ccccc2)cc1 15108804 TUURELSYQGTWMG-NDEPHWFRSA-N 449.554 6.100 0 40 IKAB O=C(Nc1nc(-c2cccs2)cs1)c1nc(Cl)c(Cl)c(Cl)c1Cl 15320789 DAXGEXCMSOELJW-UHFFFAOYSA-N 425.149 6.133 0 40 IKAB Oc1c(Br)cc(/C=C/c2nc3cc(Cl)ccc3o2)cc1Br 16045040 BVIGCYJMTRJUEC-DAFODLJHSA-N 429.495 5.882 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ccc(Cl)c(Cl)c1 16479884 ACXCZLROSMMVGW-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3Cl)n(-c3ccccc3)c2=S)cc1 16768827 YTWLISZGHSUOGE-UHFFFAOYSA-N 434.952 5.671 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1cccnc1Cl 17096148 NEGKDJNTLLJCNO-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3O)nc2c1 17099504 TTWQMARROLDVJM-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB O=C1C[C@@H](c2ccccc2)Cc2c1c(Nc1ccccc1)nn2-c1nc2ccccc2s1 17100486 GPZOKMIUBNTXJU-SFHVURJKSA-N 436.540 6.138 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@H]2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)s1 19216923 KPDBGWQNEXDRGI-NRFANRHFSA-N 441.560 5.629 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)Cc2ccc(OC)c(C)c2)n1 19525526 UCJYKEBVIOFESB-QHCPKHFHSA-N 444.579 5.104 0 40 IKAB O=c1[nH]c2cc3c(cc2c(-c2ccccc2Br)c1-c1ccccc1)OCCO3 19957187 FNJBCRGTJMUHHK-UHFFFAOYSA-N 434.289 5.396 0 40 IKAB Cc1cc(C)c2oc(=O)cc(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)c2c1 20412443 PBPDZPPEPUIEHB-UHFFFAOYSA-N 438.571 5.317 0 40 IKAB biogenic CC[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 20485021 IBIUXVVKZPJHNV-QHCPKHFHSA-N 425.981 6.522 0 40 IKAB FC(F)(F)c1nc(Nc2ccc(-c3ccccc3)cc2)sc1-c1ccc(Cl)cc1 21963858 CHRNLUHWQVCSQL-UHFFFAOYSA-N 430.882 7.893 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 22519856 VXBIYRYNQDWPLL-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 23657211 MQRUOURJKLCWEO-UHFFFAOYSA-N 426.438 6.219 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Nc3ccc(N4CCOCC4)cc3)ccc21 25390125 MMNSXWVBKRHBCX-IBGZPJMESA-N 442.563 5.090 0 40 IKAB COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3SCc3ccco3)CC2)cc1 26131368 MZJLZKHEKROCPP-UHFFFAOYSA-N 435.545 5.316 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206933 RJJBVYBJEVZZJX-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccc(CN2CCCCCC2)cc1 30941798 IUMFEYWNGYCULH-UHFFFAOYSA-N 433.596 5.331 0 40 IKAB Clc1ccc(-c2nnc(SC[C@@H]3CSc4nnc(-c5ccccc5)n43)o2)cc1 32906000 SFRNUGKCCHACSJ-HNNXBMFYSA-N 427.942 5.088 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 33067934 OCXLNQXKRGNEIA-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)n2C)cc1 33714052 TVRJREHFLFHIEK-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccc(C)cc3)cc2c1 35313606 BRBGUHUMQCQFRU-UHFFFAOYSA-N 446.938 5.835 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1cccc(Br)c1 40069412 YPWLTJYKLCRXDW-CYBMUJFWSA-N 433.733 5.568 0 40 IKAB COc1cccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)c1 57720637 PCCUWIABDFXVAA-UHFFFAOYSA-N 436.943 5.285 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)cc1 101133849 QMPCFFAWGGZZJL-GVAUOCQISA-N 440.543 5.344 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)C1 102149150 XKJZQOXCVNYXQN-MRDQGFSESA-N 448.588 5.547 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102252252 FGLSGMOPXNUOLY-CQIJRDABSA-N 430.617 6.269 0 40 IKAB C[C@H]1C[C@H](C)[C@@H](C)[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@H]12 105024118 APXOQDSIAUQKAU-KGOHLZQXSA-N 426.729 7.881 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 106937236 BMTFTLPUQWJZKN-OFNKIYASSA-N 425.315 6.244 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)cc1Cl 222728490 PXPASEDVJKTYSG-GOSISDBHSA-N 440.392 5.654 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 222777241 LFWCEOJSSDIHCU-LLVKDONJSA-N 448.177 5.006 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222924659 MORHRTZWSGKNAK-XMMPIXPASA-N 436.596 5.796 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C(C)C 223350414 FSOPVIHUKFSXCC-IBGZPJMESA-N 426.576 5.356 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(Br)cc2)cc1C(C)C 223354253 IFZJHJFCEFQJKA-HZPDHXFCSA-N 434.374 5.534 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c1Cl 223986648 FQFNKBQTMZZHGY-UHFFFAOYSA-N 428.816 6.149 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1C 224373299 BZMOEYGGTNYLSC-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(C(C)(C)C)cc1 224520765 YLJGUTKSHWVARU-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224678601 VNLXLUKZTNJPBC-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224738145 OQFQEJLQCDAQIG-NRFANRHFSA-N 435.395 5.116 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225055624 NVGQYDJBIBDOKI-XMMPIXPASA-N 441.015 5.447 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCC[C@@H](C)C3)n2)cc1 225944024 KQCPBTIOSYMSLC-LJQANCHMSA-N 447.608 5.300 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccsc2)cc1 244933110 CBVHLARBEPMQLF-FPOVZHCZSA-N 441.350 5.762 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257242604 IDHBMENJWVAKSN-NRFANRHFSA-N 435.430 5.176 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)n1 257278328 OBUZHOOCPVYDAR-SFHVURJKSA-N 448.929 5.517 0 40 IKAB Cc1cc(OCC(=O)O)c(-c2cc(-c3ccc(Cl)cc3)n(CC(C)C)n2)cc1Cl 257305580 SQPSKUFSMYYTLB-UHFFFAOYSA-N 433.335 5.952 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c(C)c1 408639607 GEWZWAGROVGOKD-CQSZACIVSA-N 435.749 5.019 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)cc3)S2)cc1 408777403 ZWYJAHPAZZXCLV-SJJVXOANSA-N 430.573 5.736 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCc2cccc(F)c2)c(Br)c1 409110909 ZNEGUBVBPNMMJH-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1cccc(Br)c1 409164373 HRPKFFRYWIQVIJ-OQLLNIDSSA-N 442.256 5.704 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)cc1 409180495 YOMIZTKNYLDVQM-WOJGMQOQSA-N 448.588 5.745 0 40 IKAB Clc1ccc([C@@H]2Sc3nnc(COc4ccccc4)n3N=C2c2ccccc2)cc1 409206561 PKKYQIKRSJCSJH-QFIPXVFZSA-N 432.936 5.610 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1ccccc1 409251074 ODVLILYJMVCJPF-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409361931 RBQZRIWYCDYJBC-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OC 409377337 GNJWWSCBOVPXFM-LPXFMOJISA-N 449.931 5.902 0 40 IKAB C1=C[C@H]2C[C@@H]1[C@H](C(c1ccccc1)c1ccccc1)[C@H]2C(c1ccccc1)c1ccccc1 514287068 SDNWHTQTJJDCTI-BSVLZEFKSA-N 426.603 8.089 0 40 IKAB Oc1cc2c(cc1-c1c(-c3cc(F)c(F)cc3F)oc3cc4c(cc13)OCO4)OCO2 524731872 NFKOJGYBIVUAEC-UHFFFAOYSA-N 428.318 5.347 0 40 IKAB biogenic CCN1CCCCCCN(C(=O)CC(C)(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582915 POBHFUMLMFNYEP-QFIPXVFZSA-N 444.660 5.781 0 40 IKAB CC[n+]1c(/C=C/C=C2\C=C(c3ccccc3)C=C(c3ccccc3)O2)sc2ccccc21 685944536 VCEKQOGVEZVBMV-OPASMWONSA-N 434.584 7.261 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccccc3)cc12 883274 XIORTKYNFUQAJH-UHFFFAOYSA-N 441.600 5.222 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c2c1 884487 VANBUOGILUQBQC-SFHVURJKSA-N 447.629 5.536 0 40 IKAB Clc1ccc(CN(Cc2ccc(Cl)cc2)Cc2ccc(Cl)cc2Cl)cc1 1724604 WMFMWXJGYHCEBF-UHFFFAOYSA-N 425.186 7.503 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)C[C@H](C(C)C)OC3 1827860 FGKFLIXXROEYQJ-GOSISDBHSA-N 428.623 5.745 0 40 IKAB O=C1[C@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 2192904 QRYJUSMKRBSNCZ-YCVJPRETSA-N 449.575 6.613 0 40 IKAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1 2224609 PBVFXAPNLWDBMM-JOCHJYFZSA-N 431.875 5.200 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CC1)Nc1ccccc1-c1ccccc1 2620505 KDEJOCZPVIMIOB-UHFFFAOYSA-N 444.535 5.817 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3cccc(C)c3)n2)cc1OC 2733268 WXEAIVPONPLWCC-UHFFFAOYSA-N 430.504 5.549 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(C(=O)Nc3ccc([C@H](C)CC)cc3)n2)cc1 2755527 QITZFBWGQLGXPS-RTBURBONSA-N 429.564 6.613 0 40 IKAB O=C(CSc1nccc(-c2ccc3ccccc3c2)n1)Nc1c(Cl)cccc1Cl 2805440 CQDVJUPYEMKGJG-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB COc1ccc([C@H]2N(c3ccc(OCc4ccccc4)cc3)C(=O)C2(F)F)cc1OC 3366335 SHLXVOXFCBLGLX-JOCHJYFZSA-N 425.431 5.006 0 40 IKAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccccc2Cl)c1 3886717 VWALOHMLLBRUSX-UHFFFAOYSA-N 436.316 5.087 0 40 IKAB Clc1ccc(Cl)c(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)c1 6143837 GOALXZFLPRXWOL-UHFFFAOYSA-N 438.177 6.723 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1cccc(Cl)c1 8755084 AFYCZCKMLMGINQ-IBGZPJMESA-N 445.950 5.679 0 40 IKAB CCOc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 8831837 WGDPQNBYDJVDIQ-UHFFFAOYSA-N 443.355 6.921 0 40 IKAB CN1C(=O)c2ccc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)cc2C1=O 8832381 MLBAUXHYBCDAOO-QPJJXVBHSA-N 441.270 5.131 0 40 IKAB Clc1ccc(Cn2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 8836466 BAUJTXZOWQPQMV-UHFFFAOYSA-N 449.739 6.111 0 40 IKAB O=C(N=P(Oc1ccccc1)(Oc1ccccc1)Oc1ccccc1)c1ccccc1 8853632 HKFZLZREMKTOHD-UHFFFAOYSA-N 429.412 7.010 0 40 IKAB Cc1ccc(-c2nnc(-c3cccc(NC(=O)COc4ccc(C(C)C)cc4)c3)o2)cc1 8906137 ICDFAUDQICGYCR-UHFFFAOYSA-N 427.504 5.853 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)[C@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C1O 9054139 MTZKOBDCISCBKC-MBSDFSHPSA-N 443.503 5.084 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)Nc3nccs3)c(C)c2c2occ(-c3ccccc3)c12 9133959 PDEICHBLCCPZFT-UHFFFAOYSA-N 430.485 5.461 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3nnc(-c4ccc(Br)cc4)o3)n2)cc1 9254317 GXCQIWHPIFKMAX-UHFFFAOYSA-N 442.342 5.139 0 40 IKAB CCc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308833 HCQQIVIDDKLUPG-GMAHTHKFSA-N 432.365 6.508 0 40 IKAB CC1(C)[C@@H](C(=O)n2c(SCc3ccccc3)nc3ccccc32)[C@@H]1C=C(Cl)Cl 9327372 MYFPQEMJWCZPNS-HNAYVOBHSA-N 431.388 6.560 0 40 IKAB Cc1ccc(Cn2cc(SCC(=O)Nc3nc4ccccc4s3)c3ccccc32)cc1 9391748 KZNWDTRZWJRNFZ-UHFFFAOYSA-N 443.597 6.339 0 40 IKAB COc1ccc(Oc2cncnc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 9410337 UPQLGLHCCBNAPQ-UHFFFAOYSA-N 428.488 5.846 0 40 IKAB biogenic Clc1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccccc4)SC3)o2)cc1Cl 9594005 LGXPGSHLNDVTCP-UHFFFAOYSA-N 427.316 5.870 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CC(C)(C)NC2(C)C 9639766 YDQGACJNTHDQIN-UHFFFAOYSA-N 441.380 5.253 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccco2)c1 9667352 QRZPGJASZKCOJW-HHHXNRCGSA-N 434.495 6.182 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(Cl)cc2)cc1 9679135 MRWGWXFLRPJZGN-HSZRJFAPSA-N 434.326 6.442 0 40 IKAB Cc1ccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)cc1C 10358396 NAXHXLGSMGXEPI-UHFFFAOYSA-N 436.577 5.155 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(COC(=O)c2ccc(C)s2)cs1 10647513 OSWXHCCTBQDQCR-UHFFFAOYSA-N 440.468 5.573 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195611 ZGCRFNMTSNYNAW-ZCYQVOJMSA-N 434.923 5.990 0 40 IKAB CC(C)c1nc2oc3c(=O)n(Cc4ccccc4Cl)cnc3c2c2c1COC(C)(C)C2 12324719 MMIPZPGPQLITBK-UHFFFAOYSA-N 437.927 5.214 0 40 IKAB Cc1cc(NC(=O)c2ccc(Br)cc2)n(-c2nc(-c3ccccc3)cs2)n1 12441713 LPRXOXRNLOIYEU-UHFFFAOYSA-N 439.338 5.319 0 40 IKAB O=C(/N=c1\scc(-c2ccccc2)n1-c1ccc(SC(F)F)cc1)c1ccccc1 12524379 XLSACEFKTWPZOM-RWEWTDSWSA-N 438.524 6.262 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 12567908 GZAUTCLIFAWKCK-SANMLTNESA-N 431.555 5.281 0 40 IKAB CCCc1ccc([C@H](NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)c2cccs2)cc1 12883490 WYNTYPRVEMVPSK-VWNXMTODSA-N 448.588 5.338 0 40 IKAB CN(Cc1cccc(F)c1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 13069208 ZONNCXMGDBFDNJ-UHFFFAOYSA-N 438.959 5.952 0 40 IKAB CCc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628196 CUQCHYWCONJHTQ-UHFFFAOYSA-N 430.548 5.816 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 13716705 CWVUJYFBGDOCGF-DEOSSOPVSA-N 436.577 5.154 0 40 IKAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 13995206 IWAOIEDUFTYJGZ-ZUOKHONESA-N 443.956 5.122 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(C(=O)O)c(Cl)c3)o2)cc1Cl 14269364 ZDQPRABGCUIIRJ-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 14495133 GCKDRXHYKBUALR-OAQYLSRUSA-N 427.331 5.802 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(C)Cc3ccc(Cl)c(Cl)c3)c12 14899893 NMPHRCBPTMTQCD-UHFFFAOYSA-N 429.307 5.116 0 40 IKAB CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 16044041 RIYZGVZKORHVKM-CABCVRRESA-N 438.351 5.595 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 16216637 DUOXVKXDFVLFND-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)Nc3c(C)cc(C)cc3C)c2=S)c1 16769363 GRCRSGXSEZSCHZ-UHFFFAOYSA-N 442.588 5.943 0 40 IKAB Cc1cccc(-c2nn(-c3nc(-c4ccccc4)c(C)s3)c(-c3cccc(C)c3)c2C)c1 17099686 YPMFFGKLHOHDKI-UHFFFAOYSA-N 435.596 7.563 0 40 IKAB CCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nc(SCC)nn21 17315910 LLROPGPSFYIHEA-NRFANRHFSA-N 449.580 5.025 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)c1 19928379 HXWIWNLNVZFCPU-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 20105405 DBQJJDKLFSWSAC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 22412204 OTOHAOCCLIMFBB-UHFFFAOYSA-N 435.427 5.150 0 40 IKAB Cc1ccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(Cc3ccccc3)CC2)cc1 23156865 RRVLWINJGQOKEA-JOCHJYFZSA-N 432.593 5.157 0 40 IKAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)c1ccc(-c2nc3ccccc3s2)s1 25326977 SLVFUSWOSMTWCX-UHFFFAOYSA-N 447.585 5.191 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SC/C=C/c4ccccc4)ncnc3[C@@H]2C2=C1CCC2 26464461 PWVPWAURTPDLKF-JSICGULGSA-N 433.646 6.923 0 40 IKAB CC[C@H](C)c1ccc(-n2c(=O)c3ccccc3n3c(SCc4cccnc4)nnc23)cc1 27780054 XVHPNUFRSYLZPU-KRWDZBQOSA-N 441.560 5.234 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)cc1 28288932 PXCZHDQEISXTRL-OAQYLSRUSA-N 438.955 5.020 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2c(F)cccc2Cl)CC1 39742669 MKQBBHNNYXPCPH-UHFFFAOYSA-N 449.275 6.002 0 40 IKAB C[C@H]1C(=C\n2c3ccccc3c3ccccc32)/C(=C/n2c3ccccc3c3ccccc32)[C@@H]1C 40199521 WJUHNDPIQIUKEY-SBHXICPPSA-N 438.574 8.570 0 40 IKAB CN(C)c1ccc(P2C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 68719959 PZPPDIAKGSJNEJ-UHFFFAOYSA-N 446.579 6.169 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2[C@@H](O)c2ccccc2)c(Cl)c1 72230062 KSNJSOXOMZJWNL-QFIPXVFZSA-N 430.331 5.709 0 40 IKAB COc1cccc(NCc2nnc(SCc3nccn3C(C)C)n2C2CCCCC2)c1 72270489 PZTAGNJJFQRZDD-UHFFFAOYSA-N 440.617 5.474 0 40 IKAB Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3nc4ccccc4n3C(C)C)C2)n1 72353669 YWKNROIRKRMSAS-HXUWFJFHSA-N 426.568 5.157 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1C(=O)CCc1ccc(Cl)cc1 72370267 ODUCCSSLCLJKNW-SFHVURJKSA-N 440.996 5.081 0 40 IKAB CC(C)COc1ccc(NC(=O)c2cn(C(C)(C)C)nc2Br)cc1Cl 96001708 RKDQFXMWMQWDCF-UHFFFAOYSA-N 428.758 5.341 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)Nc2ccc3sncc3c2)cs1)c1ccccc1F 97165549 YSMQAIDADWUALQ-VQHVLOKHSA-N 438.509 5.228 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccccc2SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 104749345 ZQKWKTTTZPVRJY-MXBUBSDBSA-N 436.621 5.589 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Br)c1OC 106704090 CROJAWQYLBJUHX-YVLHZVERSA-N 448.338 5.011 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1cccc2ccccc12 106725203 MDVRQYDJGBPUPY-JCMHNJIXSA-N 443.549 6.821 0 40 IKAB CCO[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118930815 FJYXPDKTLJKYNH-JNUOPSQZSA-N 428.745 8.823 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222715335 OFSKXCSSKDOFCS-FQEVSTJZSA-N 426.626 5.118 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)cc1C 223510139 DIZYHALUHNZOGB-DQEYMECFSA-N 439.588 5.057 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 224157789 RAAMSVHZPFRPLW-XMMPIXPASA-N 438.637 5.343 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1 224160308 UFKKAZRRBQUVTP-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224183260 GJSRQSAAWYWFCG-RPWUZVMVSA-N 445.975 6.481 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C)c2C)cc1COc1ccc(-c2ccccc2)cc1 224215347 UODDCGZBTZOIHN-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1C 224276275 MHIBPIVBZXPPMU-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224315100 RKENHPSTBNWKDL-LOSJGSFVSA-N 443.547 6.275 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 224327460 PTXVWRXNTXWPAH-BJKOFHAPSA-N 425.561 5.007 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1 224362012 SJUALHYFCHZJOP-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB O=C(NCc1cccc(CN2CCCC2)c1)c1cccc(OCc2ccccc2Cl)c1 224628348 PRQGQSHPWHXPFK-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)[nH]1 224654688 POOHMHGEEXSSJN-BJKOFHAPSA-N 426.545 5.688 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccc(F)cc2)CCCC1 225520948 HEOSAJOLRFCEMU-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)c1 225627813 MTAPGXMGNBLABU-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2c(F)cccc2Cl)cc1 257233977 GROMLCCRVOMSAW-UHFFFAOYSA-N 427.859 5.307 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@@H](O)CC)n1 257285173 PFYOEIZRGJDPDJ-SFHVURJKSA-N 428.916 5.128 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408556690 KBMHJSRRNLDBTH-QHCPKHFHSA-N 443.927 5.845 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1c(C)cccc1C 408561242 ZMJWXUJNBKAYNS-UHFFFAOYSA-N 430.577 5.390 0 40 IKAB CCOc1c(I)cc(CNc2ccc(F)c(Cl)c2)cc1OC 408607247 KFLMRYKWYMOBPB-UHFFFAOYSA-N 435.664 5.103 0 40 IKAB CC(C)COc1ccc(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1 408632656 GMBJSPVZVAVTFZ-WOJGMQOQSA-N 430.913 5.643 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)cc1 408695651 RUMYLUBRUFRQBH-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 408749522 HJQVAULPRXVDBC-CALCHBBNSA-N 442.993 5.922 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nnc2-c2ccccc2)cc1 409086756 GWSSRPVJAMVJTG-UHFFFAOYSA-N 442.588 5.790 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccncc1 409096515 KKNCREDSACYGNL-UHFFFAOYSA-N 436.368 5.034 0 40 IKAB COCCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C1=O 409237823 XLPPUFRSNMQLIR-CPNJWEJPSA-N 447.940 5.000 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 409382598 UTMZZPLVDQLQRQ-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)c2ccccc2)cc1 925252 RZUZCFDPLCZQJN-UHFFFAOYSA-N 448.523 5.002 0 40 IKAB CC(=O)c1cccc(NC(=O)c2sc3nc4c(c(-c5cccnc5)c3c2N)CCCC4)c1 1094768 FQWIBGJADLYKMP-UHFFFAOYSA-N 442.544 5.274 0 40 IKAB OC(CSc1ccc(Br)cc1)CSc1ccc(Br)cc1 1385788 UHIAUOCUQCGNEW-UHFFFAOYSA-N 434.218 5.457 0 40 IKAB Cc1cc(C)c(C(=O)O[C@H](c2ccccc2)[C@@H](c2ccccc2)N2CCCCC2)c(C)c1 1720315 WMVITKWUIQLBGX-VSGBNLITSA-N 427.588 6.737 0 40 IKAB Clc1ccc(Sc2nc(-c3ccccc3)oc2Sc2ccc(Cl)cc2)cc1 1902957 XUZCNQDDCIBMSZ-UHFFFAOYSA-N 430.381 7.951 0 40 IKAB Cc1cc(C(F)(F)F)c2c(-c3cccc(Br)c3)nn(-c3ccccc3)c2n1 2076942 VKHBRUNQMDFYOC-UHFFFAOYSA-N 432.243 6.177 0 40 IKAB Cc1c2c(cc3c(-c4ccccc4)cc(=O)oc13)CN(c1ccc(C(C)(C)C)cc1)CO2 2122105 DDUOKZJGAKUCQD-UHFFFAOYSA-N 425.528 6.422 0 40 IKAB biogenic Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2cccc(Cl)c2)o1 2219706 ACNKWXDVXVEMDQ-UHFFFAOYSA-N 449.923 5.635 0 40 IKAB O=C(Nc1ccccc1C(=O)O[C@@H](c1ccccc1)c1ccc(Cl)cc1)c1ccco1 3288074 FGCWQYPASYIRRN-QHCPKHFHSA-N 431.875 6.132 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)cc1C 3290699 UMYJSFKLNPOXDY-UHFFFAOYSA-N 438.500 5.648 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3560498 QDTXQSXCJVADHF-UHFFFAOYSA-N 429.545 5.116 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cccc(Cl)c2)cc1 3665318 ZUPQFFTYFBLXEB-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOC(=O)C[C@H](NS(=O)(=O)c1ccc(C2CCCCC2)cc1)c1ccc(C)cc1 4594071 DOZVQZHLRRZJCT-QHCPKHFHSA-N 429.582 5.016 0 40 IKAB COc1cccc(-n2c(SCc3cccc(C)c3)nc3c([nH]c4ccccc43)c2=O)c1 8601084 OCWZIFGNFQURRN-UHFFFAOYSA-N 427.529 5.476 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3ccc(F)cc3)c(Cl)nc2c1 8666873 BJBBWOZIFTXFML-UHFFFAOYSA-N 433.914 5.882 0 40 IKAB Cc1cccc(C)c1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8710294 MGFLUCBGEIUALH-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Fc1ccc(Oc2ccccc2CNc2ccc(I)cc2)cc1F 8781749 RNUFXIVMDLAIMU-UHFFFAOYSA-N 437.227 5.974 0 40 IKAB Cc1coc2cc3oc(=O)c(CC(=O)NCCc4c[nH]c5ccc(Cl)cc45)c(C)c3cc12 8876902 BRODVGIPYZNLMY-UHFFFAOYSA-N 448.906 5.192 0 40 IKAB biogenic O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)Nc1cccc(Cl)c1 8926555 RTDQZKLBHVASPF-UHFFFAOYSA-N 440.355 6.334 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(Cl)c2)cc1 9129504 JBBQDWHKOUMISG-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Clc1ccc(-c2nc(N3CCN(c4ccccc4)CC3)c3oc4ccccc4c3n2)cc1 9282787 KBRNHYBOLKNWEE-UHFFFAOYSA-N 440.934 6.023 0 40 IKAB Cc1cccc(C)c1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O 9319419 IQWDYFRQQDIKNA-UHFFFAOYSA-N 444.915 5.431 0 40 IKAB CS(=O)(=O)N(CCCC(=O)Nc1ccccc1-c1ccccc1)c1cccc(Cl)c1 9584510 IWUYAYCLZQSXBA-UHFFFAOYSA-N 442.968 5.192 0 40 IKAB CCc1ccccc1N1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2S1(=O)=O 9663832 KQIMJBHHORQKGP-UHFFFAOYSA-N 444.915 5.377 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1cccc(F)c1)N(c1nccs1)C3=O 10233033 VNHGBYVJEMNGRX-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB COc1ccc2nc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)cn2n1 11693414 LERLJMBJNQKLNY-UHFFFAOYSA-N 448.482 5.281 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(CSc2nnc(CC3CCCC3)[nH]2)cs1 11885939 OJGFKYOEEGKLSY-UHFFFAOYSA-N 448.017 5.624 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)[C@@H](C)c4ccccc4)n3)ccc21 12220026 INUGOLXYNDTTCP-SFHVURJKSA-N 447.604 5.512 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)n(C)n1 12446034 LLPGAVVJDMHTMY-UHFFFAOYSA-N 428.279 5.005 0 40 IKAB Cc1cc(NC(=O)CN[C@@H](c2ccccc2)c2cc3ccccc3o2)n(-c2ccccc2)n1 12568005 BTSOAFJXOSDQIR-MHZLTWQESA-N 436.515 5.245 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccc(Br)cc3)s2)c1C 12569626 DUABRBRJFHBXSM-UHFFFAOYSA-N 449.399 5.392 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CCc3nc(-c4ccco4)no3)nc12 12791124 YXNPFNIBLGVLHV-UHFFFAOYSA-N 444.516 5.414 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)Nc2ccc(C)cc2)cs1 12817972 XTQBNKZZQNJXLC-ZHACJKMWSA-N 445.466 5.807 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 12825334 WMSHMDZHNVLIAP-IBGZPJMESA-N 446.978 5.737 0 40 IKAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)cc1Cl 13000637 GGKHCWLPGCIFJX-NRFANRHFSA-N 448.997 5.066 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1cc(Br)ccc1Cl 13022683 KZRWEDBDZTUOAD-UHFFFAOYSA-N 435.730 5.413 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 13562291 HUPHXNZALDIWMI-OXQOHEQNSA-N 432.033 6.106 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@H](C)CCc3ccccc3)ccc2c(=O)c1-c1ccccc1 13692133 GANODPIHFPHWAB-LJQANCHMSA-N 441.527 5.285 0 40 IKAB biogenic O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccc(Cl)c(Cl)c1 14186403 SVGRIIMFZCJVSF-UHFFFAOYSA-N 436.286 5.412 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15411702 AHEXTOAODRVPAU-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)c1cccc2ccccc12 16284489 PWJPMLDEFKBRFB-UHFFFAOYSA-N 428.495 6.288 0 40 IKAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1 17094663 BRNGAGVMVSLKTF-UHFFFAOYSA-N 425.941 5.215 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294124 OUPZOOKRLHQXKL-WZONZLPQSA-N 443.526 5.441 0 40 IKAB CCc1onc(C)c1C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521107 OQQHLTZNZIRWBE-INIZCTEOSA-N 435.553 5.018 0 40 IKAB Cc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1Cl 20486764 XTTGIYMSQJIEME-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB C[C@@H](Cc1ccc2c(c1)OCO2)[C@@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 23410487 URIUZPZKVODFIY-MRDQGFSESA-N 437.499 5.241 0 40 IKAB CC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccccc3Br)cc2)cc1 27260983 XHGAIUMRTJPYRG-UHFFFAOYSA-N 437.293 5.156 0 40 IKAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Br)cc1 27526971 VNNXVHLZPDMWHR-UHFFFAOYSA-N 448.386 5.249 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 27990394 YAUVJPWAVKPZFE-UHFFFAOYSA-N 425.937 6.620 0 40 IKAB COc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Br)cc1 28403829 FIPUOMIHPBCFGO-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccccc3)no2)cc1Cl 32578744 OSPQHUAEWJKBHQ-UHFFFAOYSA-N 435.867 5.230 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)Cc3coc4cc5c(cc34)CCC5)n2)c1 33374364 RNSXIGAXGGXVLJ-UHFFFAOYSA-N 434.517 5.243 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cc2cc(Br)ccc2o1 34762698 CZZVLEUBLVHWET-UHFFFAOYSA-N 432.318 5.905 0 40 IKAB N=C1S[C@@H](C(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 34851830 MREHBNKRCIYRIK-PZJWPPBQSA-N 437.362 5.930 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)c1ccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 36610877 TWKMCDHWTSQHIJ-POGVWIKGSA-N 442.640 6.922 0 40 IKAB biogenic CCc1nn2c(=O)cc(CNc3cc(Cl)ccc3Sc3ccc(F)cc3)nc2s1 40009485 ITXUHCOEWIQVPD-UHFFFAOYSA-N 446.960 5.269 0 40 IKAB COc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)Nc2nnc(C)s2)cc1 40073570 VYWUGIFHOUIGRJ-DTQAZKPQSA-N 428.517 5.142 0 40 IKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1)c1ccccc1 44936891 OQVDULGBTJCHAI-HSZRJFAPSA-N 443.429 5.565 0 40 IKAB CCOc1cc([C@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OCc1ccccc1F 49550407 MHQOABGVDFCYDT-JOCHJYFZSA-N 441.528 5.270 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)NCc2ccc(C)cc2)cc1 71328021 WHZPURRILKQNMT-UHFFFAOYSA-N 437.609 5.161 0 40 IKAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccccc4OC)C=C3C)[nH]c2c1 77262132 NRBLWIPDRUXFJZ-FIXSFTCYSA-N 447.623 5.767 0 40 IKAB biogenic,in-vitro Cc1sc2nc(CN3CCC(C)CC3)nc(N[C@H](c3nccs3)C3CC3)c2c1C 78903348 UVHBJHWATQVZOX-IBGZPJMESA-N 427.643 5.560 0 40 IKAB COc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N(C)Cc5ccc(OC)c(OC)c5)(C4)C2)C3)cc1 103558849 UKAZGWFTJAHORV-VHDHYXBKSA-N 449.591 5.209 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222783488 GBXVRWBCKXRPMN-INIZCTEOSA-N 435.395 5.176 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 223085644 RDONNVHAQOBAAP-RPBOFIJWSA-N 445.636 5.248 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223793340 KZRFFCRUUGCZFQ-NRFANRHFSA-N 438.637 5.013 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223813262 YTCFQLNBWPOQMM-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223891363 GWESBEIUYWOLMK-DNQXCXABSA-N 431.609 5.241 0 40 IKAB Cc1ccc(C)c(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 223978355 FTTSAIFIBAWJTJ-UHFFFAOYSA-N 425.981 6.058 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1Cl 224339194 KKCWEJMWLNMPFQ-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224389897 FNZYXDYWTQWXNG-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 224430989 ZCJPQNOMDMZMBC-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(C)c(C)c1 224627288 GUTIYULGHJPFDN-LJQANCHMSA-N 437.967 6.426 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224917836 YDLZSECYZIMSEC-MOPGFXCFSA-N 428.355 5.231 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(C)cc3)o2)c(OC)c1 224930192 FFDICPPWUHXBOY-UHFFFAOYSA-N 428.488 5.264 0 40 IKAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c1C 225341539 ODWYUTDEIUBPJD-BJKOFHAPSA-N 434.609 5.484 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225610241 KYCQLCSDCDVFBI-QGZVFWFLSA-N 449.422 5.430 0 40 IKAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)ccc21 225702901 HPXHNLNEPJKKRO-UHFFFAOYSA-N 440.546 5.237 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 225768933 CSEVQZIPJNIUMD-FQEVSTJZSA-N 431.576 6.866 0 40 IKAB CC(C)[C@@H]1C[C@@]2(CCCN(Cc3ccc(S(C)(=O)=O)cc3)C2)CO[C@H]1c1ccccc1 257224616 FCOVVHZVKSZWQJ-KKUQBAQOSA-N 441.637 5.106 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2Cl)CC1 257285751 PIQIYXUUNNBZHP-UHFFFAOYSA-N 448.010 5.315 0 40 IKAB CC(C)(C)c1cc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1O 408551099 BCMARHCXMFGNBH-UHFFFAOYSA-N 440.436 7.025 0 40 IKAB CCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(C)c(C)c1 408562484 QBATUJHWDFGBAI-BZZOAKBMSA-N 428.985 5.819 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408624082 UFQUQMKZJCQFRC-UHFFFAOYSA-N 441.627 5.596 0 40 IKAB Cc1cccc(C2=N/C(=C/c3ccc(OCc4ccc(Cl)cc4Cl)cc3)C(=O)O2)c1 408987924 PRMRWGFEZPNPTC-WSDLNYQXSA-N 438.310 6.225 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1Cl 409058435 XUPZNTMMMOZRCD-UCQKPKSFSA-N 444.943 6.584 0 40 IKAB Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1 409180721 ZHTVIRFRVZNLOU-UHFFFAOYSA-N 440.590 5.225 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3ccc(C)cc3)n(C)c2-c2ccc(OC)cc2)cc1 409199071 NOCLFWNDYNAGBT-RQZHXJHFSA-N 444.556 5.487 0 40 IKAB C[C@@H](NC(=O)c1cc2[nH]ccc2s1)c1ccc(CNC(=O)c2cc3[nH]ccc3s2)cc1 504867645 UIFPPLYOEDGYMJ-CYBMUJFWSA-N 448.573 5.193 0 40 IKAB CCC(C)(C)c1ccc(OCc2nc(N(C)CCc3ccccc3)ncc2C(=O)O)cc1 585265816 RWHQXCDTSKEMPH-UHFFFAOYSA-N 433.552 5.120 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 728174 XDEYQHWWMLJWCL-UHFFFAOYSA-N 434.455 5.044 0 40 IKAB CCOC(=O)c1c(CSCc2ccccc2)n(C)c2cc(Br)c(OC)cc12 1103290 VKGCEDSUMGTQCE-UHFFFAOYSA-N 448.382 5.560 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc3c(c2)N(Cc2cc(C)ccc2C)C(=O)C(C)(C)O3)cc1 1342440 GLYLVTBNHXWEKC-UHFFFAOYSA-N 428.532 5.568 0 40 IKAB Cc1cccc(OP(=O)(Nc2cccc(C(F)(F)F)c2)Oc2cccc(C)c2C)c1C 1846981 UCTVWAPHIXLNKW-UHFFFAOYSA-N 449.409 7.617 0 40 IKAB CCCN(CCC)C(=O)c1cc(-c2ccc(C)cc2)nc2ccc(Br)cc12 2088907 KRPNLEOMZFCCOP-UHFFFAOYSA-N 425.370 6.235 0 40 IKAB Cc1ccc(-c2nc(C)sc2CC(=O)OCC(=O)Nc2cccc3ccccc23)cc1 2663819 UZKUIMFJFOVUPQ-UHFFFAOYSA-N 430.529 5.305 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccc(Br)cc2)o1)c1ccccc1 3232632 OGVGIIFADKSGHD-UHFFFAOYSA-N 432.343 5.033 0 40 IKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ccc(Br)cc1F 3235642 NHQXNKUPKLSXIH-UHFFFAOYSA-N 442.693 5.252 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc(COc4ccccc4Cl)o3)c[nH]c12 3354321 AYHLXXPRBJDBNE-UHFFFAOYSA-N 427.913 5.321 0 40 IKAB Cc1cccc(C)c1NC(=O)c1sc2nc(C(C)(C)C)cc(-c3ccccc3)c2c1N 4046141 ZKBJNVHICANCKT-UHFFFAOYSA-N 429.589 6.712 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)Nc2sc(C)c(C)c2C(=O)OCC)cc1OC 4289857 VXJXBTICVNJXIY-ACCUITESSA-N 445.581 5.771 0 40 IKAB biogenic C[C@@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C 4429038 FSLPMRQHCOLESF-IINMLKESSA-N 426.729 8.025 0 40 IKAB CCCCc1nc2cc(NC(=O)OC(C)(C)C)c(C)nc2n1Cc1ccccc1Cl 4850389 PQZZHGLYYPDHGS-UHFFFAOYSA-N 428.964 6.131 0 40 IKAB COC(=O)C1=C(NC(=O)Nc2ccc(Cl)cc2)OC(C)(C)[C@H]1c1ccc(Cl)cc1 5052944 GMTCMRFUDRODBO-KRWDZBQOSA-N 435.307 5.092 0 40 IKAB COC(=O)[C@H]1C(C)=C(c2ccccc2)S[C@]1(c1ccccc1)c1nc2ccccc2[nH]1 8438831 NUQHBZPRXOLJTQ-GJZUVCINSA-N 426.541 5.774 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 9064724 HRUSTPRGHBWNDO-UHFFFAOYSA-N 449.557 5.113 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(Br)cc2)N1c1ccccc1 9076504 AIABABASIDSBTJ-JOCHJYFZSA-N 430.305 5.589 0 40 IKAB Cc1ccccc1NC(=O)[C@]1(c2ccsc2)CC(=O)N1c1ccc(Br)cc1 9129649 DHLZJRVDRZQWRY-OAQYLSRUSA-N 441.350 5.090 0 40 IKAB Oc1cc(OCc2ccccc2F)ccc1-c1ncnc(C(F)(F)F)c1-c1ccccc1 9129758 ACNMNZQUJQKKRF-UHFFFAOYSA-N 440.396 6.253 0 40 IKAB biogenic O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1Cl 9190292 XUPSNZHEYXDKPW-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB Cc1ccc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1 9369284 JDBXLNHSGHEPMA-UHFFFAOYSA-N 433.602 6.355 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccc(F)c1)Nc1ccc(F)c(Cl)c1 9599172 OKSWUZGSENOCIA-UHFFFAOYSA-N 447.938 5.852 0 40 IKAB CCCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nc2c(oc3ccccc32)c1=O 9751772 OUSSAZLJFRLDRP-UHFFFAOYSA-N 435.549 5.209 0 40 IKAB COCCn1c(SC(c2ccccc2)c2ccccc2)nnc1-c1c[nH]c2ccccc12 11758034 SQOSSVIUAZNFER-UHFFFAOYSA-N 440.572 5.955 0 40 IKAB COc1ccccc1N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21 12524298 NAZAINNEKXXDFM-VKAVYKQESA-N 438.405 5.354 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N(C)C2CCCCC2)cc1OC 12565909 ZXSNPVPNVXQCMF-BMRADRMJSA-N 445.563 5.361 0 40 IKAB O=C(CSc1nnc(NC2CCCCC2)s1)N(C1CCCCC1)C1CCCCC1 12648790 CVCRPVKVWQUXCV-UHFFFAOYSA-N 436.691 5.869 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12932516 YLPUXFKYDDMTCF-CABCVRRESA-N 445.382 5.232 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 13120583 GYWOORXNPBCKJY-UHFFFAOYSA-N 442.515 5.163 0 40 IKAB COc1cc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1 13995218 DCKVUPNHJDOTSQ-ZUOKHONESA-N 443.956 5.122 0 40 IKAB CN(CCCCOc1ccc2ccccc2c1)CCCCOc1ccc2ccccc2c1 14083932 XRTYTVLLGIMIHA-UHFFFAOYSA-N 427.588 6.943 0 40 IKAB O=S(=O)(c1ccccc1)N(Cc1ccccc1)Cc1csc(-c2ccsc2)n1 14118070 MBKJDCYOUWBYCN-UHFFFAOYSA-N 426.588 5.263 0 40 IKAB O=C(CSCCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 16400721 WHAQQGDNTSTVBX-UHFFFAOYSA-N 427.418 6.306 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccs4)ccc3o2)c(Cl)c1 17095659 TUAQUWUYOUVMMD-UHFFFAOYSA-N 427.938 5.645 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17098775 ORWYEOZYGMDEJQ-UHFFFAOYSA-N 434.389 6.220 0 40 IKAB COc1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 17100834 WOQOSCKSLPPARB-UHFFFAOYSA-N 436.895 5.953 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3ccccc23)sc(C(=O)N(CC)CC)c1C 17102495 DDTQUBSESDWJGE-UHFFFAOYSA-N 438.549 5.121 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC 17167221 GXKXUDYHEZEUNU-NDENLUEZSA-N 449.931 5.903 0 40 IKAB O[C@@H](c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1[C@H](O)c1ccccc1 17193159 JLPBSURDZWABLC-HNRBIFIRSA-N 432.519 6.777 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20037795 VESFZMIUGBUXGF-SFHVURJKSA-N 432.800 5.854 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 20144704 RAAJOTDHIFMPGC-GFCCVEGCSA-N 436.291 5.160 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn23)cc1 21799381 PAIZFAZSJRNQHS-UHFFFAOYSA-N 439.441 5.734 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 22029367 YUCNHVFYOWDMNI-UHFFFAOYSA-N 443.286 5.041 0 40 IKAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)ccc1Oc1ccccc1)cn2C 22237361 WXYYPIHQFVKKFE-UHFFFAOYSA-N 448.906 5.635 0 40 IKAB Cc1nn2c(-c3ccc(OC(=O)c4ccc(Cl)cc4)cc3)ccnc2c1-c1ccccc1 22607310 IJIIKVSVKXGDDF-UHFFFAOYSA-N 439.902 6.244 0 40 IKAB COC(=O)c1occc1CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1 24908192 DLZWKBPEVLHEKJ-UHFFFAOYSA-N 439.924 5.183 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(CC)cc3c2C)cc1OCC 27529797 SPUGYZMAPAURTQ-UHFFFAOYSA-N 435.480 5.403 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cccc(Br)c1 27735029 YJLWXOMYGNZLAU-GFCCVEGCSA-N 435.268 5.192 0 40 IKAB Cc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 27990257 IFIRCZKFROVQEA-KRWDZBQOSA-N 428.985 5.515 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2cc1C 28288959 DGTUAZADGIWDHV-OAQYLSRUSA-N 438.955 5.020 0 40 IKAB Cc1cccc(Cn2nccc2NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1 30528085 JLSDQLJFGUOPRI-UHFFFAOYSA-N 430.122 5.501 0 40 IKAB CCCOc1ccc(NC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2cccnc12 32623479 VQJLLISIQFMQNV-UHFFFAOYSA-N 427.504 5.810 0 40 IKAB CCOc1c(Br)cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1OC 33424452 YYZLVPRWFFVVQZ-GZTJUZNOSA-N 448.338 5.093 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)c1 35847465 QLISSTJAZQLQCN-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc(-c2csc3ncnc(N4CCC(C(=O)Nc5ncccc5C)CC4)c23)cc1 40149377 UNZIYPBVZZYLKK-UHFFFAOYSA-N 443.576 5.225 0 40 IKAB CCOc1ccc(C(=O)CSc2ncc(-c3cc(C)no3)c(-c3cccs3)n2)cc1 57742294 OGJRTRNEKUMJAC-UHFFFAOYSA-N 437.546 5.542 0 40 IKAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cc2ccc(Br)cc2[nH]1 58647978 WCJKRRFVGNDKMQ-UHFFFAOYSA-N 438.350 5.870 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 59176390 VQKCLQBIXAAJNJ-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1cccc(C)c1-n1nnnc1[C@@H](NCc1ccco1)c1ccc(Cl)cc1Cl 71405256 MTODPSRLZOQMPW-IBGZPJMESA-N 428.323 5.058 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72215277 UQAWHMWFWLWRLJ-MJGOQNOKSA-N 433.593 6.084 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(C(=O)c4c(C)oc5c4CCCC5)C3)nc2)n1 72353369 YETVFMOTAHHGPJ-IBGZPJMESA-N 445.567 5.032 0 40 IKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Oc1ccccc1-c1nnc2n1CCCCC2 89821289 BJHHBQLHKNYHHV-OUKQBFOZSA-N 427.426 5.309 0 40 IKAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C(C)C)cc2Br)c1C 218875572 VCTACUVMGZOBBW-UHFFFAOYSA-N 434.330 5.075 0 40 IKAB CCOc1cc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C 222661874 RXCDRNCCRKPRCY-HBGVWJBISA-N 446.016 5.900 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 223145047 JODOPCKWFXEJMK-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224034857 PURMAJPVFFQXTA-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224206516 KFCWQQHBJUXOOO-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 224227183 UBSVMMDDTISTLQ-NRFANRHFSA-N 433.017 5.074 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224441790 VRNNMIKJZZVQAD-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224444773 AJPYFDHVYPSXQU-PKTZIBPZSA-N 433.483 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(Cl)c1 224489530 QFMVKDMWMPEYPB-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(OC(F)(F)F)cc1 224877320 MLVLZRSYZBLINE-UHFFFAOYSA-N 440.215 5.518 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225499465 VTMFFMQZMZYEGO-GOSISDBHSA-N 441.822 6.185 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](CC(C)C)c2ccc(OC)cc2)cc1Cl 225500637 JPMGZLSKIYXNQM-FQEVSTJZSA-N 434.989 5.599 0 40 IKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCC2)cc1 225532968 UXCYJQMGMOFGIJ-UHFFFAOYSA-N 429.560 6.342 0 40 IKAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 231425538 OMPWRUQXNQNYLD-UHFFFAOYSA-N 446.739 5.670 0 40 IKAB CCCCC(=O)N1CCC[C@@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 257218368 DCWQKOBTBBCGRE-RUZDIDTESA-N 449.035 5.229 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cc(F)c(F)cc2F)C1 257247547 IZLLLTYDENWQFH-VWPQPMDRSA-N 441.877 5.262 0 40 IKAB O=C(Oc1ccc(-c2ccc(-c3ccccc3)cc2)nn1)c1ccccc1Br 408527830 CRKJWUNVQKPPBB-UHFFFAOYSA-N 431.289 5.792 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c(C)c1 408545253 JRQVLAOQCVSKCT-UHFFFAOYSA-N 437.005 5.168 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 408647670 UEJSZOCQTNBULM-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 408705847 OOEXIWONYZHFIK-IBGZPJMESA-N 428.381 5.209 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 408706299 ZLUBVQSZBPPLET-CQSZACIVSA-N 446.827 6.081 0 40 IKAB CC(C)c1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1 408876846 OIBMIDCNXWIRKG-ZDLGFXPLSA-N 448.466 5.504 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Br)c1OCc1cccc(F)c1 409110422 BWEIBASWLVICNM-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12 409113252 FAYZOANSHCJTRQ-UHFFFAOYSA-N 445.990 7.700 0 40 IKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1cccc(Cl)c1 409114338 HDFYKOISDFOONP-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 409264392 LCBFQYNQXVRDCB-LICLKQGHSA-N 440.609 5.201 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1C 409271443 KZPIXQHTFFHNPW-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(C)CC(=O)N1CCCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643584373 OQINJTNHMDZGDQ-VWNXMTODSA-N 428.617 5.287 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 710212 BOZXXXUALGRETF-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778435 PDGJHHFXSXKYJF-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Brc1ccc(-c2nnc(-c3ccc(Br)cc3)c3nocc23)cc1 987987 YMGIKUYOLZFMPM-UHFFFAOYSA-N 431.087 5.477 0 40 IKAB COC(=O)C1=C(Nc2ccc(C)cc2)C=C(C)[C@H](C(=O)OC)[C@H]1c1ccc(Cl)cc1 1019499 VPHPCZJHDIRLCW-LEWJYISDSA-N 425.912 5.020 0 40 IKAB Fc1ccc([C@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2ccco2)cc1 1338265 QXPTZOBQELYJJK-XMMPIXPASA-N 431.515 5.312 0 40 IKAB Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)Nc1cccc(C(F)(F)F)c1 1397240 IEZXGPBQVAEOHY-UHFFFAOYSA-N 430.373 6.408 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3cc4ccccc4o3)n2-c2ccccc2)cc1 1426149 LWUVGWOIYLQGCU-UHFFFAOYSA-N 441.512 5.664 0 40 IKAB Nc1c(C(=O)Nc2ccccc2Cl)sc2nc3c(cc12)CN(Cc1ccccc1)CC3 1471710 RQWREYHJAPVIBA-UHFFFAOYSA-N 448.979 5.343 0 40 IKAB CCOP(=O)(Cc1ccc2c(c1)C=C[C@@]1(O2)N(C)c2ccccc2C1(C)C)OCC 1900839 WROUGGBQUABEBQ-DEOSSOPVSA-N 427.481 5.982 0 40 IKAB Cc1c(OC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)ccc2c(-c3ccccc3)cc(=O)oc12 2093767 QJSDVBGJQPVGGA-HXUWFJFHSA-N 449.503 5.073 0 40 IKAB biogenic CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2ccccc2)cc1 2245381 DPTMDAQMOAWFMQ-UCGGBYDDSA-N 448.547 6.816 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 2248299 IFCHWHTZJQKMSQ-HOCLYGCPSA-N 435.837 5.153 0 40 IKAB CSc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)N2N=CNC2=N3)cc1 2416028 GNNAYEZQEYDCCG-DHIUTWEWSA-N 444.585 5.583 0 40 IKAB CCOc1ccc(-n2c(SCCCC(=O)c3ccccc3)nnc2-c2cccnc2)cc1 2622585 VEDZJECAZOAMHO-UHFFFAOYSA-N 444.560 5.483 0 40 IKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)cc1-c1nn2c(-c3ccccc3)nnc2s1 2685700 SXYIILWUUNFFBP-UHFFFAOYSA-N 427.316 6.395 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)cc1 2720689 VNJBBSPEFQENKC-UHFFFAOYSA-N 425.513 5.150 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1OCCC)Nc1ccccc1-2 2742942 QMKJXACSRUTRRC-QFIPXVFZSA-N 436.581 6.113 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cc(F)c(F)c(F)c1F 3166092 DACNRSFXYOPVDB-RUZDIDTESA-N 427.441 6.378 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1cc(F)c(F)c(F)c1F 3166094 DACNRSFXYOPVDB-VWLOTQADSA-N 427.441 6.378 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N3CCCCCC3)nnc2-c2ccc(Cl)cc2)cc1 3282135 IZGXZHHYWMMYJN-UHFFFAOYSA-N 441.000 5.391 0 40 IKAB CCc1ccc(N(C(=O)Cc2ccc(-c3ccccc3)cc2)c2nc3ccccc3s2)cc1 3344640 USMYBISLQZFMLQ-UHFFFAOYSA-N 448.591 7.433 0 40 IKAB Cc1ccc(S(=O)(=O)N(CCC(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1 3403296 ANPAEYCEKMFMEC-UHFFFAOYSA-N 442.968 5.181 0 40 IKAB O=C(Nc1ccccc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237096 CVTUDCARIKTPGJ-WMZHIEFXSA-N 435.527 5.320 0 40 IKAB biogenic,in-vitro C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](C(=O)O)C[C@H]1C[C@H]3C(=O)O 4293108 XFIVUTDYPVXBJS-DIQHVOKLSA-N 448.600 5.158 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 4903219 MTHSKHJRVYHHIJ-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 6410149 SFLWQEXYYUXLNA-FQEVSTJZSA-N 447.648 5.915 0 40 IKAB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 8383268 GWQANDHBBDBMJY-PJEHFJQTSA-N 433.507 5.012 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1cc(Br)ccc1Cl 8440487 TWEBMIOQBFMFCE-UHFFFAOYSA-N 445.675 6.302 0 40 IKAB CC(C)c1ccc(Cn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8828299 XBQWMTRCXBEZCQ-OAQYLSRUSA-N 427.523 5.868 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCOCC2)cc1 8832365 OUSNFXLQIRVGEN-SOFGYWHQSA-N 443.330 5.742 0 40 IKAB C(=C\c1ccccc1)\CN(Cc1ccco1)c1ncnc2c1ncn2C/C=C/c1ccccc1 8955381 NMPQVZWFFOGPSY-UFSWOOAPSA-N 447.542 5.853 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1cccnc1 8974065 QAKBMIYNPVIGDV-HXUWFJFHSA-N 437.282 5.240 0 40 IKAB COc1ccc2cc([C@@H](C)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc2c1 9336857 PTKVKFNPFXXEMK-GOSISDBHSA-N 440.547 5.576 0 40 IKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)[C@@H]3COc4ccccc4O3)sc2c1 9525636 HUFCBXYESACUQN-NRFANRHFSA-N 430.529 5.286 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 9614453 KNKYIHVBDYUDSG-XMMPIXPASA-N 437.326 5.566 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Nc3ccccc3C)s2)c(Br)c1 9616739 IORGVFYANTUSAO-UHFFFAOYSA-N 449.399 5.392 0 40 IKAB COc1cccc(NC(=O)[C@H](Sc2ncnc3sc(C)c(C)c23)c2ccccc2)c1 9632151 LJULYLDRTGZORX-HXUWFJFHSA-N 435.574 5.789 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3cccs3)c(-c3ccccc3)s2)cc1 9679008 UGOVOYKJHAABBY-UHFFFAOYSA-N 434.586 6.970 0 40 IKAB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccccc1Cl 9781896 JFQUDQRQNFZVSO-SFHVURJKSA-N 445.769 6.156 0 40 IKAB Cc1ccc2ncc(C(=O)c3ccc(C)c(C)c3)c(S(=O)(=O)c3ccc(C)c(C)c3)c2c1 9847521 CDBULDJNICIPAU-UHFFFAOYSA-N 443.568 5.841 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc3c(c2)OCO3)cccc1-c1nc2ccccc2s1 10003997 NKPIHQBIHNXSHA-UHFFFAOYSA-N 447.541 5.127 0 40 IKAB C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C(C)(C)C)cc1 10112019 MVAKKMKGAPPHLB-SFHVURJKSA-N 436.577 5.276 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(F)cc12 12372466 DYLMBDSANBABTA-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB FC(F)Oc1ccc(/N=c2\scc(-c3cc4ccccc4o3)n2C[C@@H]2CCCO2)cc1 12550667 NSPIYPYUKKDJER-RHGYLGJDSA-N 442.487 5.976 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)NC2CCCCCCC2)c1 12600315 YEWRYVZILKFLSR-UHFFFAOYSA-N 449.016 5.398 0 40 IKAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 12858700 MJMMCWVDBUVDCV-UHFFFAOYSA-N 435.738 6.759 0 40 IKAB CCCCNc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)s1 12902338 OVCPJHDBCUFKTO-UHFFFAOYSA-N 426.611 5.090 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3cc(C)c(C)cc3C)cs2)c1 13073057 LQNJOIPTNCFJKH-UHFFFAOYSA-N 431.355 5.759 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)OCC(=O)c2ccc(OC(F)F)cc2)n1 13095861 RUPIVBYKIZENEY-UHFFFAOYSA-N 449.500 5.385 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C 13564559 JTNIFZSWZPIHRK-VABKMULXSA-N 432.907 5.008 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)c(C)c1 14272804 VMNYCZYYTDYYCL-UHFFFAOYSA-N 441.579 5.753 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc(C)c1Cl 14397372 VJVZMIDNINJWDK-MRXNPFEDSA-N 440.893 5.092 0 40 IKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccccc1OC)C[C@H]2c1cccnc1 14607637 UFJJIBRFJXKCKQ-DEOSSOPVSA-N 438.531 5.639 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14850851 RIFQIJITPLOMOY-UHFFFAOYSA-N 444.837 6.094 0 40 IKAB CNCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16189386 ZEVWYNUAKBSKKQ-UHFFFAOYSA-N 432.189 5.034 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1)c1ccc2c(c1)OCCO2 16399396 URBQQXXJYLTBPU-UHFFFAOYSA-N 443.286 5.269 0 40 IKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Br)c3)nc2c1 16575028 HFHLVVZKIIEVFH-UHFFFAOYSA-N 432.343 5.116 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccc(-c2nc3ccccc3o2)cc1 17095269 ZPWMHEPLBMYDPW-UHFFFAOYSA-N 427.287 5.497 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccccc3Cl)o2)cc1Cl 17097400 JBIMIUQYSVGENY-PKNBQFBNSA-N 431.344 6.088 0 40 IKAB COc1ccc(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1Br 17101714 BOKRGFPFJMLWRT-UHFFFAOYSA-N 437.765 5.600 0 40 IKAB Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)CCCc3c[nH]c4ccccc34)CC2)n1 19118499 ZYBXLVVXLMYNNG-UHFFFAOYSA-N 444.604 5.724 0 40 IKAB Cc1ccc2c([C@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccc5ccccc5c3O4)c[nH]c2c1 19219724 ZWROJRGVUNUVNA-CLJLJLNGSA-N 442.559 5.014 0 40 IKAB Cc1c(C)n(C(=O)CSc2nnc(-c3ccccc3)n2C2CCCCC2)c2ccccc12 19642035 KNAIVEXJVWNYFX-UHFFFAOYSA-N 444.604 6.454 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1)c1ccccc1 19932216 GRPCZZUHOGBBJC-DEOSSOPVSA-N 436.577 5.029 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3)c(-c3ccccc3)nn2)cc1CN1CCOCC1 20414211 OKEIHGGDKIPOAU-UHFFFAOYSA-N 437.543 5.318 0 40 IKAB COc1cccc(-c2nc(CSc3nnc(NCc4ccc(F)cc4)s3)cs2)c1 23909040 MQBIOAQDMZYDFW-UHFFFAOYSA-N 444.582 5.714 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4c(C)cc(Cl)cc4Cl)cc3n2)cc1 26124045 RBIIVYAMBOPBDF-UHFFFAOYSA-N 441.318 5.362 0 40 IKAB O=C(Nc1s/c(=N\c2ccccc2)n(Cc2ccco2)c1-c1ccccc1)c1ccco1 26770183 HMSRSVYABBHPSU-QPLCGJKRSA-N 441.512 5.936 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 27746219 CTGJQIYNYBVAQO-QFIPXVFZSA-N 434.923 5.157 0 40 IKAB Cc1cc(OCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)ccc1Cl 31903672 KTEMSOOIKWCOFH-SFHVURJKSA-N 439.987 5.582 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)c1 33423782 WRCQDPVSUPKEMV-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 33908391 IKRVZWCJADPXNU-USXZWKKNSA-N 437.926 5.764 0 40 IKAB Cc1ccc(C)c(N2C(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)SC2=S)c1 35039684 XUEDVJWQBLOINV-NDENLUEZSA-N 425.962 6.623 0 40 IKAB Cc1ccc(OCC(=O)Nc2cnc(C)n2-c2nc(-c3ccc(Cl)cc3)cs2)cc1 41124354 VETHZJIIADHVQY-UHFFFAOYSA-N 438.940 5.284 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44839748 DDUHICLGOWCCFC-OAQYLSRUSA-N 432.372 7.295 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3CCCc4ccccc43)c2)cc1 44848174 SGHWGWCREOCIQZ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCOc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 44900188 WVNDJSTXFCCBPX-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44909947 QPHVVWSPMGAOCF-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 44939767 DLOFIEGWINUIQI-MRXNPFEDSA-N 435.351 5.021 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cc(C(F)(F)F)n1)NCc1ccccc1 58960057 JQXVGZSYYUHWIK-UHFFFAOYSA-N 437.874 5.224 0 40 IKAB COc1cccc2cc(C(=O)NCc3ccco3)/c(=N/c3ccc(C(F)(F)F)cc3)oc12 67299080 DYHMTRGNKRMSRP-SLMZUGIISA-N 442.393 5.216 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 69982741 PEWRCCLHVQVEFF-SJLPKXTDSA-N 426.504 5.080 0 40 IKAB O=C(c1cc(Br)ccc1Cl)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 70635482 VSRRAQXFBODFFW-MRXNPFEDSA-N 448.666 5.335 0 40 IKAB CC(C)(C)OC(=O)Nc1cc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)OC(C)(C)C)ccn1 72357465 MGSBPTDWPWBCRZ-KRWDZBQOSA-N 443.548 5.281 0 40 IKAB O=C1/C(=C\Nc2ccc(Cl)cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 103018953 UCHDKQIZLLCROT-MOSHPQCFSA-N 442.824 5.999 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C2[C@@H]1c1ccc(F)cc1 104006120 MHXRPKVZGJIWMS-NSYGIPOTSA-N 432.520 6.457 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(C1CCCCC1)C1CCCCC1 107796719 WERMRNJNZXAXHM-UHFFFAOYSA-N 440.657 5.475 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cccc(OC)c2o1 108036116 SCTZLLWTTPINSM-UHFFFAOYSA-N 444.354 5.775 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C[C@@H]1c1cccs1 108625572 SRSZILNVKLLDFA-HXUWFJFHSA-N 447.947 5.608 0 40 IKAB CCOc1ccc2cc(-c3nc(-c4ccccc4)c4cc(Cl)ccc4n3)c(=O)oc2c1 196247486 LBUSRFOBIIXILX-UHFFFAOYSA-N 428.875 6.122 0 40 IKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 216286282 PBLLMDIMRYZAAG-XMMPIXPASA-N 433.523 6.150 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1 219478993 PRHWESVVMKBRPP-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)N(Cc1ccccc1)Cc1ccccc1 222715001 PDOXCCDXJMNRCT-UHFFFAOYSA-N 430.400 6.456 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)ccc1Cl 222844546 NCRGROVZQKSOGI-QZTJIDSGSA-N 436.939 5.545 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C 222930813 ZLIVHIRSGOYIIR-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222938552 AOSTYOXDYRIJJG-SFTDATJTSA-N 446.403 6.277 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 223423016 CHHHMPHSEIVYSK-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 223511932 GXZUFTAAOTXXJH-DHIUTWEWSA-N 446.963 5.563 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223789784 YFWRRIJJASKVGP-DNQXCXABSA-N 432.593 5.411 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223978274 NCIZNXJLXIOEMQ-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224019726 AQRFVUNZKYFZRK-SFHVURJKSA-N 447.044 5.463 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(C)ccc3C)c2)cc1 224069991 GMBXKEWUJNVONQ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224289401 RNCBUXIEBSMYOQ-RBUKOAKNSA-N 444.423 5.700 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)c1 224290211 AFSHNUVEFMYJMX-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 224514962 YOGMYFZWYXTYTL-LJQANCHMSA-N 441.786 5.133 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542394 DSMSVNAABNDABA-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224734100 MRCDFAGOWIYHEG-NRFANRHFSA-N 438.637 5.343 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 224862486 OCWWLRWDNDDUCX-UHFFFAOYSA-N 438.833 5.984 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 224985421 IMNRIBNIRLOUDI-UHFFFAOYSA-N 436.939 5.109 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225524754 GGCBKBMXJWRUHV-ZJSXRUAMSA-N 438.612 5.219 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl 225530712 BSZURYPVCIADOE-UHFFFAOYSA-N 426.771 6.886 0 40 IKAB CC(=O)N1CCCC[C@@H]2CN(Cc3cc(Cl)ccc3OCc3ccccc3)CC[C@H]21 257207178 BGRCWYZGDNWFRR-ZJSXRUAMSA-N 426.988 5.142 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCC(C)CC1 260814447 IAZDKUXGGGFGGT-GUXMJAIHSA-N 430.633 5.644 0 40 IKAB CCN(C(=O)CSc1nc(-c2ccc(C)cc2)cc(C(F)(F)F)n1)c1ccccc1 408546726 OCWCVQNZIJXQEZ-UHFFFAOYSA-N 431.483 5.616 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3cccc4ccccc34)n2C)c(C)c1 408597407 YYYAWKGPSFCKIR-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Br)cc2)C1=O 408602438 NTRXAQOTEFTKBP-LDADJPATSA-N 432.339 5.474 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3)nn2-c2ccc(Br)cc2)cc1 408696750 BPMQXLQUBUEYSR-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2ccc(C)c(C)c2)cc1 408698034 LHCYKAOKPDKRPJ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cccc(C)c2C)n1 408699467 UJMFMGBXDSVEPL-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccc(-c4ccccc4)cc3)cc2)cc1 409183437 SADYWPUXFZHOEM-UHFFFAOYSA-N 442.536 5.855 0 40 IKAB COc1ccc(Cl)cc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccccc2)n1C 409206833 LWPCXKOTNGAOSC-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 409355166 JLNFNADLDMWWJG-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)cc1C 409375952 RIHSITVVKORQHT-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(C)Cc1nc(COc2cccc(Cl)c2)c(C(=O)O)cc1-c1cccc(Cl)c1 585265252 KQAXCKSKTPUTOG-UHFFFAOYSA-N 430.331 6.531 0 40 IKAB CCCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872921 ZEDCUTQICKHOMQ-KNAFXUBQSA-N 440.555 6.119 0 40 IKAB Cc1nccn1[C@H]1C[C@H]2CN(Cc3ccc(F)cc3F)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242750 NRTMRULGOHWEKC-IMVQFDEQSA-N 441.497 5.140 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)c2c1C 888557 BALPPCUCRKYSNE-UHFFFAOYSA-N 432.785 5.999 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)cc1 1017041 VGAGNKVFIWGXNF-NSHDSACASA-N 427.136 5.180 0 40 IKAB O=C(Nc1ccc(N2CCN(C(=O)c3cccs3)CC2)cc1)c1cccc2ccccc12 1268695 GIJVIJOCFSXNQD-UHFFFAOYSA-N 441.556 5.116 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccc(F)cc2)s1 1365996 XIJCRXBEQGMAQQ-SFHVURJKSA-N 442.478 5.281 0 40 IKAB O=C1N(N2C(=O)C3(CCCCC3)[C@@H]2c2ccccc2)[C@@H](c2ccccc2)C12CCCCC2 1445870 WRNWFFYJWXGPTL-ZEQRLZLVSA-N 428.576 5.969 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@H](C)O[C@@H](C)C4)ncnc32)cc1 1447745 JZHYGSMCUBOIET-OALUTQOASA-N 428.536 5.100 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4cccc(Cl)c4Cl)ccc3Cl)oc2cc1C 1948827 SBURZCIAKBKWMD-UHFFFAOYSA-N 445.733 7.324 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)cn3ccc4cc(OC)c(OC)cc4c23)cc1OC 2140478 IWZUSEMDGJYEJW-UHFFFAOYSA-N 439.511 6.461 0 40 IKAB biogenic,in-vitro CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)cc1C)CO3 2160178 ZCSZEPPCYYQTHZ-UHFFFAOYSA-N 428.326 5.481 0 40 IKAB biogenic Clc1ccc(OCc2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c(Cl)c1 2210530 HRANWOKJEDYAND-UHFFFAOYSA-N 446.146 6.045 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(Br)o4)c3C)nc2c1 2212871 PABSXRPWBITLQW-UHFFFAOYSA-N 425.282 6.028 0 40 IKAB CC[C@@H](C)COC(=O)c1c(N)n(-c2ccc(OC)c(Cl)c2)c2nc3ccccc3nc12 2263805 ULIIJIWQXYHWRB-CYBMUJFWSA-N 438.915 5.021 0 40 IKAB Cc1cccc2c1N(C(=O)c1ccc3c(c1)OCO3)C(C)(C)c1ssc(=S)c1-2 2307882 NHZSEODREJNQDT-UHFFFAOYSA-N 427.572 6.139 0 40 IKAB CCCSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1C[C@@]3(C)CC 2398031 KLUGBCSZYOFXLH-AREMUKBSSA-N 444.604 5.332 0 40 IKAB CCc1cc2c(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncnc2s1 2623335 BCHLAOIYFNPGMM-UHFFFAOYSA-N 431.892 5.657 0 40 IKAB Cc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)c(Cl)c2)cc1 2714221 QLGQRGYVYFWAKU-UHFFFAOYSA-N 438.962 6.970 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)NCc3ccccc3)c2c1 2722589 LCUFSQWYNPFWBR-UHFFFAOYSA-N 449.645 5.666 0 40 IKAB Cn1nc(-c2cccc(Br)c2)c(Cl)c1-c1cccc(Br)c1 2733434 KVXWKEDMSDUGGZ-UHFFFAOYSA-N 426.539 5.933 0 40 IKAB Cc1ccc(NC(=O)CCCSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2744168 HZPMXZJUNHJDOZ-UHFFFAOYSA-N 431.483 5.982 0 40 IKAB CC[C@@H](NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12)c1ccccc1 2769093 HIEDSKVTAQLEQY-JOCHJYFZSA-N 426.516 5.800 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCC(C)CC3)c3cc(Br)ccc3n2)cc1 2773524 YBCPYMCCHQANNN-UHFFFAOYSA-N 437.381 6.099 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccn(COc3ccccc3F)n1)oc1ccccc12 2798129 JKMUJSHZAJFIQS-UHFFFAOYSA-N 431.423 5.219 0 40 IKAB COc1ccc(/C=C/C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1OC 3244849 QEPRAELSSKTTQV-WYMLVPIESA-N 447.512 5.090 0 40 IKAB CCOc1ccccc1C1=N/C(=C/c2ccc(OCc3ccccc3)c(OC)c2)C(=O)O1 3259442 DZQFDPMQIJXULE-RCCKNPSSSA-N 429.472 5.017 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)c2cc(Br)ccc2Cl)cc1 3276735 UFUSDMPMCKEGJD-UHFFFAOYSA-N 440.724 6.262 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1C(F)(F)F 3319420 KJJPXEVPRKAXHT-UHFFFAOYSA-N 431.794 5.508 0 40 IKAB CCc1cc2oc(=O)cc(CSc3ncnc4sc5c(c34)CCCC5)c2cc1Cl 3421953 GKPDVKPMMDAFIW-UHFFFAOYSA-N 442.993 6.185 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4cccs4)c3C)o2)cc1 4144070 JGRUTEFDDMITEO-UHFFFAOYSA-N 439.562 5.248 0 40 IKAB CC[C@H](C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(C)c2)cc1 6110713 KGQSZPRCNOTKJV-SFHVURJKSA-N 446.576 5.996 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8755565 UEIFTMNHCNFUSX-KRWDZBQOSA-N 433.914 5.706 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3)nc(C(F)(F)F)c2-c2cscn2)c(O)c1 8873450 IGWONFGIJWSENA-UHFFFAOYSA-N 429.423 5.667 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c(=O)c12 8943391 BDFMNWAQKDLUGC-LBPRGKRZSA-N 426.567 5.224 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(COc4ccc(Cl)cc4)o3)cs2)cc1 8966228 PIMFJVUCKUGNAK-UHFFFAOYSA-N 444.969 6.103 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)cc1 8971092 BMBWFILNKMNTHH-HXUWFJFHSA-N 444.535 5.088 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2ccc(Cl)cc2)CC1 9063446 KPCQHKNHODGZPR-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(Cl)cc5)c3c2N)CCC4)c1 9088456 OPNWSXRVGGTBCM-UHFFFAOYSA-N 449.963 5.949 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)N1CCCC1 9111710 RKZNVTJMQFCHRH-OAHLLOKOSA-N 426.567 5.177 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)n1 9282648 QUBICXTVLJINPU-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB Cc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1C 9318346 NPJAEILQHAOUBH-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nc2ccccc2s1 9449742 UIUCASZYKGGOFI-FQEVSTJZSA-N 428.444 5.292 0 40 IKAB CCc1cccc2c(-c3csc(CN(C)CC(=O)Nc4c(C)cc(C)cc4C)n3)c[nH]c12 9579743 JYDAZRVIKQKTHU-UHFFFAOYSA-N 446.620 5.850 0 40 IKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 9643287 XQBJJMNGHLYPIW-IWAYRVGRSA-N 426.925 5.098 0 40 IKAB O=C([C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCCCC1 9790842 COOVNXQDSNZKNU-QFIPXVFZSA-N 432.593 5.050 0 40 IKAB CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN32)cc1 12437066 UHTUCRATYFVMHX-XRKRLSELSA-N 432.567 7.380 0 40 IKAB COc1ccc(CN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)C2CC2)cc1 12916114 VCWHRCBSTLUQPS-UHFFFAOYSA-N 426.491 5.854 0 40 IKAB COc1ccc(CN(Cc2cccs2)C(=O)COc2ccc(Cl)cc2)cc1OC 13075424 WUIYUWDGOVDCOK-UHFFFAOYSA-N 431.941 5.027 0 40 IKAB CCN(C(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccc(F)cc1 13097920 SHBQIBHVJJSGJK-UHFFFAOYSA-N 443.594 6.151 0 40 IKAB CCOc1ccc(-c2nnc(SCc3ccccc3Cl)n2-c2ccccc2F)cc1 13108518 WPLSGTWPYJCVJU-UHFFFAOYSA-N 439.943 6.418 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1Cl 13497692 FAAAEBNEHFAZNN-QFIPXVFZSA-N 433.017 5.373 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccccc1CCc1ccccc1 13688231 MQLIEVVHABTEEW-UHFFFAOYSA-N 427.285 5.329 0 40 IKAB Cc1oc2cc(Oc3ccc4nnc(C(F)(F)F)n4n3)ccc2c(=O)c1-c1ccccc1 14300730 NXMUWSOFNMWNHA-UHFFFAOYSA-N 438.365 5.017 0 40 IKAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(C(F)(F)F)cc2)o1 15881574 KUWSUMLKPBKNJC-UHFFFAOYSA-N 442.441 5.547 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 17096592 ONYYTJAFEGCSSX-UHFFFAOYSA-N 429.545 5.423 0 40 IKAB COc1c(C(=O)Nc2nc(-c3ccccc3)cs2)cc2ccccc2c1Br 17103118 HTJLTVKTXVAIRX-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(N3C(=O)[C@H]4C[C@H](c5ccccc5)CC[C@H]4C3=O)c2)cc1 17988514 KARCJUPLQAHYHT-SDUSCBPUSA-N 438.527 5.321 0 40 IKAB Cc1ccccc1NP(=O)(/C=C(\Cl)c1ccccc1)/C=C(/Cl)c1ccccc1 18188059 ZXCSHVYQIKZAQV-ICZBVKINSA-N 428.299 8.160 0 40 IKAB CO[C@@H]1CCC[C@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)C1 19123807 MCWBDTNTYKKDAH-LEWJYISDSA-N 448.567 5.052 0 40 IKAB O=C(C1CCC1)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19294045 VCFKXFSZFMHKAG-JOCHJYFZSA-N 431.515 5.275 0 40 IKAB CCN(C(=O)c1ccn(CC)n1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711913 PHNNXVXCZCHVEK-GBXCKJPGSA-N 439.506 5.231 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1cccc(-c2cc3ccccc3oc2=O)c1 20143704 JVRAKRKXIYHDSM-UHFFFAOYSA-N 437.451 5.465 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCC3)cc1 20152333 YTTBVXRFVAENOA-UHFFFAOYSA-N 433.360 5.545 0 40 IKAB CSc1nc(SCc2ccc(OC(C)C)cc2)c2c3c(sc2n1)CN(C)CC3 20395005 BMRHWHYINCVIDI-UHFFFAOYSA-N 431.652 5.481 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 20609911 JHPHBBLIQIYDQU-ZDUSSCGKSA-N 427.291 5.133 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1ccc(Br)cc1 22072334 ODJNCZXVWLCUCE-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB CCCOc1c(Br)cc(Br)cc1/C=C1\SC(=S)N=C1O 27532019 QWNLQEMXPNYNLI-YHYXMXQVSA-N 437.178 5.330 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32111935 FFGIESKRVHDDTA-GOSISDBHSA-N 442.515 6.423 0 40 IKAB O=C(Nc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N1CCCCC1 32616775 XKQMABLZRKQTAS-UHFFFAOYSA-N 441.962 7.240 0 40 IKAB c1ccc(-c2nc(CSc3nncn3CCc3cccs3)nc3ccccc23)cc1 32754574 ROQNBUOHZDPKLE-UHFFFAOYSA-N 429.574 5.485 0 40 IKAB COc1cc(/C=C/C(=O)N2CC[C@H](C)[C@@H]3CCCC[C@@H]32)ccc1OCc1c(C)noc1C 32922959 RYIBQBBEQKGBLE-LFAJVZEWSA-N 438.568 5.319 0 40 IKAB O=C(NCc1cn2ccccc2n1)c1ccccc1CSc1nc2ccccc2s1 32988902 AMYMCSACAJDORI-UHFFFAOYSA-N 430.558 5.166 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 33600220 FUGNXHIOIFXOIK-UHFFFAOYSA-N 425.109 6.577 0 40 IKAB CC(C)c1ccc2c(c1)CC[C@@H]1[C@](C)(CNCc3cccc4ccccc34)CCC[C@@]21C 33712533 JVRGEFPYXCXEQL-AYQJTBPPSA-N 425.660 7.763 0 40 IKAB COC(=O)c1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 34895603 BIXURUWCPMUZMG-UHFFFAOYSA-N 439.345 5.122 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1CCN(Cc2ccccc2)CC1 39763870 HASUHPXXNRRHET-UHFFFAOYSA-N 432.951 5.422 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(C)c(C)c1 44856515 NUUOEDHJRNWRCX-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB CCOc1ccccc1CCCNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44909951 SAIHEQZCJUWFBB-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 44917229 JPBQZCHFJQLYEF-UHFFFAOYSA-N 430.951 5.651 0 40 IKAB O=C(CN[C@H](c1ccc2c(c1)CCC2)c1cccs1)Nc1ccccc1OC(F)F 57323214 YRSUKUQBKVSPNK-JOCHJYFZSA-N 428.504 5.156 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 58886043 BPFQTCJIHWBMOW-UHFFFAOYSA-N 440.952 5.550 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64872345 CRMMUNFQMAXZFQ-UHFFFAOYSA-N 446.425 6.496 0 40 IKAB CN(c1ccsc1C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1 67245618 YWIJNYWETLSAQR-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCCN3Cc3nc(-c4ccsc4)no3)n2)c1 72308666 HVOSHYFQYZAIBC-QGZVFWFLSA-N 445.470 5.544 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccccc3Cl)oc12 73642733 XMVVCIBWMMZWOD-UHFFFAOYSA-N 430.527 5.818 0 40 IKAB CC(=O)O[C@H]1C[C@H]2CCCC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 78567972 MRVPOLGRRKLUQS-BODZLBJOSA-N 430.717 8.039 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 96663088 XWQURBKRADKUHG-UQQQWYQISA-N 433.507 6.337 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(Br)c(C(F)(F)F)c1 98072848 QRZCDLQVESZWJZ-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101110771 BPCKCISMEYBLFD-HJOGWXRNSA-N 426.516 5.035 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1cc(C(F)(F)F)no1 199793873 VHSKKZIBWCWIOO-UHFFFAOYSA-N 426.111 5.750 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220687227 JESYFDGQZZVJOI-QGZVFWFLSA-N 443.396 5.048 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 223088757 IZGRXIVCFNYWJT-GOTSBHOMSA-N 437.012 5.831 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 223462530 ZVSFSOCMZRBUOE-SFHVURJKSA-N 434.502 5.253 0 40 IKAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493379 CCYCELRTEUWYFR-AREMUKBSSA-N 432.539 5.055 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C 224113071 YGKGIUGQXQJTPA-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 224199487 CYDRXLWDKNTQJO-DEOSSOPVSA-N 438.637 5.262 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224223889 YBSKRNZLJVSRTR-ROUUACIJSA-N 430.396 5.391 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224310023 JBVCWAQHPAKHKV-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224574883 UNDUDHYAHUFUDY-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc2ccccc2c1 224642547 FZIYITXFJGLWMC-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)ccc1F 224896438 NPKGAHCGQKZQIV-JWQCQUIFSA-N 448.611 6.240 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225162990 JOPMNOMVKJZLDO-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225282682 FVRIBBNVBPNXPS-CABCVRRESA-N 439.358 5.007 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 225624414 KKBAVLGUABGYIW-QGZVFWFLSA-N 435.395 5.176 0 40 IKAB COc1cc(C)c(C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C(C)C 225658359 NQXBPOXEYWACRM-UHFFFAOYSA-N 426.409 6.097 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cncc3ccccc23)CC1 257247900 JBBSISCSGZQLCN-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)c2ccccc2)CC1 257263076 LOHBOFUBXDFTSM-UHFFFAOYSA-N 432.589 5.016 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(Cc4cn(C)c5ccc(F)cc45)C3)nc2)c1 257296208 RBSBXPPBZSSJIS-QFIPXVFZSA-N 443.566 5.691 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC[C@@H](c3cccc(C(F)(F)F)c3)N3CCCC3)no2)cc1 334162266 LNPZPSBHIQEDMY-NRFANRHFSA-N 443.469 5.236 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1F 408558998 WXYVWAZKXRCMLI-UHFFFAOYSA-N 449.309 5.771 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C(c2ccccc2)C[C@]1(O)C(F)(F)F 408562867 FXXRMZOKJPXSDP-QHCPKHFHSA-N 446.469 5.001 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)cc2Cl)cc1Cl)Nc1ccccc1 408613698 ZKSZTNUSYZHTNN-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3c(C)cccc3C(C)C)sc2n1 408618184 DVSAQLPELOUDQG-UHFFFAOYSA-N 426.611 5.698 0 40 IKAB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c2c1 408635209 YDVOIUWJDHQGHP-HMAPJEAMSA-N 439.540 6.546 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c(C)c1 408667108 QBXBIWXCDAEXQC-NRFANRHFSA-N 427.544 5.588 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 408783510 MASDICHHNXAJPU-ZRELAVNMSA-N 445.371 6.415 0 40 IKAB Cc1ccc(COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Br)cc1 409115059 GTIZMMIVDKTCFK-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1Cl 409119303 WAIBFGSOZAOJSE-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB Clc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)cc1 409177537 GVIDQLBIOCFGMA-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 409327980 OPKHVHMVOFSKIT-UHFFFAOYSA-N 435.380 5.387 0 40 IKAB CCCOc1c(Br)cc(/C=C2\SC(=O)N(CCC)C2=O)cc1OCC 409346239 LNLQYKVCLHBTEE-PTNGSMBKSA-N 428.348 5.083 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)c1 409356958 HOJUUKWKCTVEFC-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB COc1ccccc1N1CCN(C(=O)c2ccc(CSc3ccc(C)cc3)cc2)CC1 409407725 GYOOYDCWEKALJK-UHFFFAOYSA-N 432.589 5.258 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cccc(-c4ccc(OC)cc4)c3C)cc2)CC1 643586843 FRJRNKPGNBVDSY-UHFFFAOYSA-N 429.564 5.065 0 40 IKAB Cc1ccc(N2CCC[C@H](NC(=O)c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1 1615055852 RFISSWXIUIEYPK-DEOSSOPVSA-N 448.950 5.153 0 40 IKAB CCCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872920 ZEDCUTQICKHOMQ-KELBGUDLSA-N 440.555 6.119 0 40 IKAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 714957 JCFCWGCVDGABCZ-WBVHZDCISA-N 436.821 5.155 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)cc1 1320468 ZOKSBRJDFGOTCK-DEOSSOPVSA-N 440.326 5.309 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1378389 QBZHZRKEAWJJIY-UHFFFAOYSA-N 443.522 5.827 0 40 IKAB Fc1ccc(-c2nnc3c(Oc4ccc(-c5ccccc5)cc4)nc4ccccc4n23)cc1 1818058 XAIJQBOHVRLJNV-UHFFFAOYSA-N 432.458 6.543 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1cccc(Br)c1 1858286 MTDMCRUSXALZES-UHFFFAOYSA-N 427.264 5.711 0 40 IKAB COc1ccc(/N=c2\cc(-c3ccc(OC)c(OC)c3)oc3ccc(C)cc23)c(OC)c1 1927745 VPKFZHZMTHBWKY-SZXQPVLSSA-N 431.488 5.675 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CCC)NC(=O)OC(C)(C)C)ccc12 2149852 SGHAGIXXWWCYHU-SFHVURJKSA-N 431.529 5.043 0 40 IKAB biogenic Cc1ccc(C)c(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1 2399160 BKHCKQPGLNCPEZ-UHFFFAOYSA-N 436.602 5.887 0 40 IKAB CSc1nc(NC2CCCCC2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2452111 PCUBIWMMSNJVRS-UHFFFAOYSA-N 436.606 6.455 0 40 IKAB CCc1sc(-c2cc3ccc(OC(C)=O)cc3oc2=O)nc1-c1ccc(Cl)cc1 2964212 JBFHXTOSDYBZKJ-UHFFFAOYSA-N 425.893 5.725 0 40 IKAB O=C(c1ccccc1)c1cccc(N2C(=O)c3ccc(-c4nc5ccccc5o4)cc3C2=O)c1 3099983 LKHQPXUXRYQPDZ-UHFFFAOYSA-N 444.446 5.526 0 40 IKAB COc1ccc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)c2ccccc12 3166549 ABGHQSSVAAEJGA-UHFFFAOYSA-N 439.451 7.566 0 40 IKAB O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1c(F)cccc1Cl 3362557 ZMZYUWGYCHCFIS-UHFFFAOYSA-N 447.837 5.482 0 40 IKAB Cc1ccccc1-n1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccncc1 3418329 JQVRPDGZSXKRMM-UHFFFAOYSA-N 441.585 6.054 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccccc3)cs2)cc1 6075342 JURYDCCGOYTPGE-UHFFFAOYSA-N 426.585 6.955 0 40 IKAB COc1ccccc1OCCCCn1c([C@@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 8754636 YUFDPVUOASAKRI-LJQANCHMSA-N 435.568 5.019 0 40 IKAB COc1ccc(N(Cc2ccccc2)C(=O)CSc2ccc(Br)cc2)cc1 8781554 ZTXUXTGEKCFRNS-UHFFFAOYSA-N 442.378 5.783 0 40 IKAB COc1c(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc2ccccc2c1Br 8832332 UZUFWUWRTHLAFK-UHFFFAOYSA-N 441.325 5.458 0 40 IKAB Cc1cccc(-c2c(NC(=O)c3cccc(Br)c3)oc3c(C)cccc3c2=O)c1 8836282 ULPZDFMTLRZFHS-UHFFFAOYSA-N 448.316 6.092 0 40 IKAB Cc1ccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(F)cc3)n2)cc1Cl 8852089 PQQNVRXXYYXQPH-UHFFFAOYSA-N 449.960 5.156 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc1O2 8961510 RXRMMZNPKJBNCU-UHFFFAOYSA-N 442.924 5.140 0 40 IKAB Clc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292729 XXRXIRGVKWETJT-CTNGQTDRSA-N 438.756 6.599 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl 9463403 PODGGGBDVLPPGX-SNVBAGLBSA-N 439.393 5.768 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1cccnc1Cl 9631848 ODUZZYGGQHJHPK-UHFFFAOYSA-N 448.017 5.215 0 40 IKAB COc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674110 VFVVIOXJCVKBFH-UHFFFAOYSA-N 433.533 5.062 0 40 IKAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 9731916 BNHKMEOECRKBCL-SANMLTNESA-N 433.935 5.218 0 40 IKAB O=C1CCc2cc(C(=O)CSc3nc(-c4cccs4)nc4ccccc34)ccc2N1 9835715 HPJGNISMGIASPR-UHFFFAOYSA-N 431.542 5.218 0 40 IKAB CCn1c(SCC(=O)N2CCCc3ccccc32)nnc1-c1ccc(Cl)cc1Cl 9848702 JPAUMTGKZHPADJ-UHFFFAOYSA-N 447.391 5.343 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 10058996 DDKOBMRJHOZXOI-YADARESESA-N 446.616 6.907 0 40 IKAB O=c1c2c(nc(SCc3ccccc3)n1-c1ccc(OC(F)(F)F)cc1)CCS2 12140603 GVSXXDWVEAYUTG-UHFFFAOYSA-N 436.480 5.072 0 40 IKAB CC(C)(C)C(=O)N1CCCc2cc(NC(=O)C3c4ccccc4Oc4ccccc43)ccc21 12364924 IPNSALMIWOHHEG-UHFFFAOYSA-N 440.543 5.888 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nnc(Cc4ccc(F)cc4)s3)cc12 12474942 HXNZAUARUCKOMR-UHFFFAOYSA-N 449.536 5.229 0 40 IKAB C[C@H](SCCOc1ccccc1F)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 12689342 WMSAJAKSXCFCQW-LBPRGKRZSA-N 432.567 5.725 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)Nc1ccnn1Cc1ccc(Cl)cc1Cl 12787416 WUHGFXWFKIYJQI-UHFFFAOYSA-N 433.320 5.136 0 40 IKAB Cc1cc(-c2csc(NC(=O)Cc3c[nH]c4ccccc34)n2)c(C)n1Cc1ccco1 12995670 GDQNZQCUEMHOOO-UHFFFAOYSA-N 430.533 5.532 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)CC(=O)Nc1cccc(Cl)c1Cl 13058641 LUWPTVSSRMWHFK-UHFFFAOYSA-N 449.165 5.199 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[C@@H]3OC(=O)c4ccccc43)nc12 13149862 VZQFBPVHELPJDL-FQEVSTJZSA-N 428.513 5.440 0 40 IKAB 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#Cc2ccccc2)C1 13399942 AXNNSHMUJUSTKY-KHNXPKGBSA-N 434.620 5.744 0 40 IKAB biogenic CCCCN(C(=O)c1ccc(-c2ccccc2)cc1)c1nnc(-c2ccc(OC)cc2)s1 13510072 HQNJYPGXNODQIM-UHFFFAOYSA-N 443.572 6.328 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@H](C)c2ccccc2)cc1 13512123 UDORBANGAZXONJ-MRXNPFEDSA-N 448.548 5.195 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 16284405 FJHOIAUOWBMRTP-UHFFFAOYSA-N 442.906 5.796 0 40 IKAB CC(C)N(Cc1ccccc1)c1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 16768334 PQWOJXWEZXWYCX-UHFFFAOYSA-N 436.534 6.642 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccc(F)cc1F 16840640 HDBKZCAXUDZCNM-UHFFFAOYSA-N 446.482 5.559 0 40 IKAB Cc1cc(NC(=O)c2ccccc2C(F)(F)F)n(-c2nc(-c3cccs3)cs2)n1 17012066 CZZWNHPPZLGQGU-UHFFFAOYSA-N 434.468 5.637 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)c(C)c4)cc3n2)cc1 17098278 ZMXUQAFMHNPSAW-UHFFFAOYSA-N 432.955 6.286 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3coc4ccccc4c3=O)on2)cc1 19558092 URIOGFHDDSEQNZ-HSZRJFAPSA-N 430.504 5.574 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20145392 BYVOKMDNXPZOTL-XYOKQWHBSA-N 437.854 6.143 0 40 IKAB C[C@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F 23103442 KOGYCJQAELDDLR-JTQLQIEISA-N 443.302 6.187 0 40 IKAB c1ccc(CC2CCN(c3nc(-c4ccccc4)nc4nc(-c5ccccc5)oc34)CC2)cc1 27985962 JZXCMTJCGRQXRE-UHFFFAOYSA-N 446.554 6.411 0 40 IKAB CN(C(=O)C[C@@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@@H]1CCCc2ccccc21 29258962 YUYQQPCGCDAPCI-MJGOQNOKSA-N 434.483 5.044 0 40 IKAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 30874003 DLQCHFVMLYSFOS-UHFFFAOYSA-N 433.964 5.748 0 40 IKAB O=C(NCc1ccco1)[C@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 32101575 COCGQFYEWPFTAT-HSZRJFAPSA-N 432.495 5.182 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c1 32111911 ZTLMPRGDWGTFDP-UHFFFAOYSA-N 442.902 6.952 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1Cl 32126284 AMXAPOMIMHCBHN-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)cc1Cl 35351497 ARULIFWPUXMFKW-CQSZACIVSA-N 449.407 5.697 0 40 IKAB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 35646155 ASBWLTMDCBWAMJ-ODLFYWEKSA-N 429.328 6.644 0 40 IKAB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 35648063 PAXLTIQEYKBFMG-WQRHYEAKSA-N 429.328 6.644 0 40 IKAB CCOc1nc2ccccc2nc1N1CCC[C@H](C(=O)Nc2c(Cl)cccc2Cl)C1 44803537 VXBDXLZJNVZLDU-AWEZNQCLSA-N 445.350 5.190 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(OC)c1 44856874 QWCIEWWEGQXBRL-RUZDIDTESA-N 444.575 5.143 0 40 IKAB Cc1ccccc1[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccccc1 44949431 ZZUZILBRTOGECM-JOCHJYFZSA-N 444.756 5.696 0 40 IKAB O=C1N[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Nc2ccccc21 59488530 JQUFHSINCNXLJV-HHHXNRCGSA-N 436.511 5.699 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)CCC2CCCC2)CC1 72345152 JUSOQAMEGIGUIK-UHFFFAOYSA-N 432.608 5.269 0 40 IKAB Cc1cc(-c2cc(C(=O)N(C)[C@H](C)c3sc(C)nc3C)c3c(C)noc3n2)c(C)s1 78609505 OTRNASQJUZZYCJ-CYBMUJFWSA-N 440.594 5.783 0 40 IKAB CCO[P@](=O)(NC(C)C)SCc1nc(-c2ccc(C3SCCS3)cc2)no1 100019096 NTLASTSVFHAITA-XMMPIXPASA-N 445.572 5.591 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 106702356 RNYVDYRPSCXNBH-JAIQZWGSSA-N 444.339 6.798 0 40 IKAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)N2C(c3ccc(C)cc3)=CSC2=N1 108023761 ZMDGWFQYVLXJHO-IBGZPJMESA-N 430.360 5.519 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C(F)(F)F)cn4)sc3n2)cc1 215710226 ILKJKUSYRHCOLK-UHFFFAOYSA-N 444.438 5.220 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2Cl)cc1 216422663 AGCSANYEYUFHLB-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)c1 223181914 HVRCQVZFINOMQM-IBGZPJMESA-N 448.588 5.084 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 223399319 LJDIVWJKUXMCHA-BJKOFHAPSA-N 445.975 6.168 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)c1 224206957 CWKLAHIDMWDONM-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc(-c2ccccc2)cc1 224215797 ZXNOQAYGNZKRGO-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(-c2ccccc2)cc1 224217705 LUBGUADRRQDDCR-UHFFFAOYSA-N 445.465 6.472 0 40 IKAB CCN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(=O)(=O)c1ccccc1 224357781 CSOPDNVEHAASCO-UHFFFAOYSA-N 428.941 5.116 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1Cc1ccco1 224425676 HDQKZLJSSVFVDO-ZEQRLZLVSA-N 446.551 5.457 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 224444151 UPCRRKBBOINMPL-GOTSBHOMSA-N 447.560 6.142 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(CSc3ccccc3)c2)cc1 224654215 TTXWNQAAQKYPIR-UHFFFAOYSA-N 435.545 5.807 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)c1 224720291 IITYPUANLGAYQU-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccccc3CN3CCCC3)cc2)cc1 224759206 QPLMUNSPNBQDAT-UHFFFAOYSA-N 430.617 5.813 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225122121 OZIVAGOMSWQVOZ-VWLOTQADSA-N 436.640 5.559 0 40 IKAB C[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(F)cc1 225473727 FOXCHKCFOGNJHR-QGZVFWFLSA-N 434.580 6.402 0 40 IKAB C[C@@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1 225523135 JXMHHAGBINIOIP-HXUWFJFHSA-N 441.015 6.044 0 40 IKAB COC(=O)/C=C/c1cc(Cl)c(OCc2cccc3ccccc23)c(Br)c1 226341671 RDBMQYKVFOELGV-MDZDMXLPSA-N 431.713 6.021 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@H]3C)o2)cc1 245265025 FSIBKOHHWYESGA-TVKQPGBESA-N 430.618 5.004 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@@H]1C[C@@H]3[C@H]4C[C@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1[C@H]2C 253590794 KEOLCBLQBIWDBI-YSYUXZCOSA-N 446.672 5.155 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C 253609458 SFKSZNDXMPANHH-HPKVYBSWSA-N 444.700 7.030 0 40 IKAB CC(C)(C)CN[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257205388 AYUBXWZGDHGGBS-CVDCTZTESA-N 434.455 6.510 0 40 IKAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)C3(c4ccccc4F)CCCC3)n2)c1 257215090 COQZFXVWLGLGNW-DEOSSOPVSA-N 445.538 5.467 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)Cc3cccs3)CC2)on1 257239791 HQUFOUHXOLIBER-SNRMKQJTSA-N 438.597 5.079 0 40 IKAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2ccccc2F)CCCC1 257245046 INWXEAYYOWXLEN-LJQANCHMSA-N 441.518 5.006 0 40 IKAB Cc1ncsc1-c1ccc(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(F)c3)o2)cn1 257317215 VIVQXXMUTFNSBZ-OAQYLSRUSA-N 448.523 5.209 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(OC)cc1 408557475 OCDGCTRDZSZDGS-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1NC(=O)c1ccccc1 408625598 SYYLZOXLIBOKHQ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408680358 RMOQWRBPCXPVCU-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]2C1 408683038 MGNPGGSOORPMOA-SJORKVTESA-N 429.303 5.091 0 40 IKAB O=C(Nc1ccc2nc(SCc3cccc(F)c3)sc2c1)c1ccc(Cl)cc1 408750714 QUBJDLKVIVDCOW-UHFFFAOYSA-N 428.941 6.633 0 40 IKAB CCCc1sc(NC(=O)C(c2ccccc2)c2ccccc2)nc1-c1ccc(Cl)cc1 408831233 QGKPLFNZSYUHCW-UHFFFAOYSA-N 447.003 7.187 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1c1cccc(Cl)c1 409100349 MVROONBGESLCRK-GZTJUZNOSA-N 436.880 5.058 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)c2)cc1 409180104 WNIPNDUZOPGRBP-MHZLTWQESA-N 449.506 6.028 0 40 IKAB CCCN1C(=O)N/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)C1=O 409244760 IHLGMGGFDYYLAR-VXLYETTFSA-N 428.319 5.299 0 40 IKAB CSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409322105 KMKPORWYVOOYGB-DEOSSOPVSA-N 434.586 5.435 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc4ccccc34)C2=O)c(C)c1 409374322 MJOHEIBGVJLYNC-FYJGNVAPSA-N 430.529 5.440 0 40 IKAB COc1ccc([C@@H](NC(=O)N2CCCC[C@@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604418928 RJJUTPSMBSETMR-OFNKIYASSA-N 436.556 5.214 0 40 IKAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2sc3ccccc3c2Cl)CC1 624089 LZALMUGTLDTFJH-UHFFFAOYSA-N 441.984 5.112 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccncc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 644015 XMNDNTBEKZJTFJ-SFHVURJKSA-N 447.604 6.107 0 40 IKAB Cc1c(Cc2ccccc2)sc(NC(=O)c2sc3ccccc3c2Cl)c1C(N)=O 674017 XOBSRJSMAYJXLE-UHFFFAOYSA-N 440.977 5.867 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 878755 PIINACQKVMTLCX-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB Cc1cccc(-c2cc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3n2)c1 995140 MEWLWZBFKOASCO-UHFFFAOYSA-N 448.526 5.260 0 40 IKAB Cc1nc2cc(NS(=O)(=O)c3ccc(Oc4ccccc4Cl)cc3)ccc2s1 1100393 YLFNAUNHXQIJQQ-UHFFFAOYSA-N 430.938 5.851 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(OCc3cccc(F)c3)c(OC)c2)sc(C)c1C 1102457 YTZKFLBJCAVYIO-UHFFFAOYSA-N 443.496 5.131 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)Nc4ccccc4)ncnc3c2c2c1CCCC2 1245562 KDRZKMSVHDYESS-UHFFFAOYSA-N 448.617 5.973 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1cccc2ccccc12 1255645 QDAPZVBZNIYGEL-UHFFFAOYSA-N 431.273 5.024 0 40 IKAB COc1ccc(COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)c(C)oc3c2)cc1 1317139 HDICEPYYCJCOKD-UHFFFAOYSA-N 432.472 5.373 0 40 IKAB biogenic CN(C)C[C@H](O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(Cl)cc(Cl)cc12 1621257 VXCVWSOSZUBRFK-SFHVURJKSA-N 430.162 6.110 0 40 IKAB COc1ccccc1[C@@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1832515 RXWYWURDIQKPTK-NLFFAJNJSA-N 438.011 7.009 0 40 IKAB biogenic CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)COc1cc(C)ccc1C(C)C 1946681 MAUWINHFHDEAOH-UHFFFAOYSA-N 437.561 6.041 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(C)cc2)Nc2ccccc2S3)cc1 2229096 PIPQZGCKBICZDC-QHCPKHFHSA-N 426.541 5.644 0 40 IKAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2oc3ccccc3c2COc2ccccc2)cc1 2620270 TXYKPJOBSRFNCQ-LJQANCHMSA-N 442.511 6.393 0 40 IKAB COc1ccccc1Cn1cc2c(-c3ccccc3)nnc-2c2cc(OC)c(OC)cc21 2691369 AEHAFPIJEBJQAR-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB O=C(CNc1ccc(F)cc1)Nc1ncc(Cc2cc(C(F)(F)F)ccc2Cl)s1 2887762 WIOYRMUDDGANRB-UHFFFAOYSA-N 443.853 5.596 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 3234313 WLVUOQKZGPKSIT-UHFFFAOYSA-N 440.008 7.551 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1cccc(Br)c1 3319992 UIQCWIDJJASZHK-UHFFFAOYSA-N 442.693 5.252 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CCSc4ccc(Cl)cc4)cc3)sc2c1 3382701 MOVOSOGWQPLEFN-UHFFFAOYSA-N 439.005 7.046 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)N(C1CCCCC1)C1CCCCC1 3442739 WDTHSTPWUMEVFH-UHFFFAOYSA-N 430.643 5.868 0 40 IKAB Cc1cc2oc(=O)cc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)c2cc1C(C)C 3515653 MCENPUWIXYYUSG-UHFFFAOYSA-N 436.489 5.296 0 40 IKAB CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC 4099980 INXGAHHQCIHNOR-QMGVEFKFSA-N 443.631 6.897 0 40 IKAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1cc(-c2ccco2)on1 4110452 FVMJQEPDTRIYEQ-UHFFFAOYSA-N 431.279 5.355 0 40 IKAB Cn1c(S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)nc(-c2ccccc2)c1-c1ccccc1 6181437 FWUBETZBAPULGU-UHFFFAOYSA-N 444.600 6.026 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccc(C)cc3)cc2c1 6245306 QHDZIGNHYYPGII-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3c(C)cccc3C)n2-c2ccccc2)c1 6442771 WJIZQXYSGVGUDB-FQEVSTJZSA-N 442.588 5.979 0 40 IKAB CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 8442222 IUEONDMREDACST-VMIIQTFKSA-N 446.660 7.644 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8753394 OACPRMARQSGCOT-SFHVURJKSA-N 447.941 6.014 0 40 IKAB CCn1c(SCC(=O)Nc2nc3c(C)cccc3s2)nnc1-c1cc2ccccc2o1 8784812 DAZXKKSDVLNRHQ-UHFFFAOYSA-N 449.561 5.360 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 8827466 FRYFFVIUOPXRAU-JOCHJYFZSA-N 444.918 5.889 0 40 IKAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8828260 YAHVRNFULCABCG-IBGZPJMESA-N 449.476 5.932 0 40 IKAB O=C(NC(=S)Nc1ccccc1Br)c1cccc(OCc2ccccc2)c1 9064631 FMDXMAJJOPRNPU-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 9290222 QHLCJTMZAPDBOC-VWLOTQADSA-N 440.522 6.226 0 40 IKAB Oc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 9356609 KSIWDOVVUBJEEJ-HSZRJFAPSA-N 442.478 5.936 0 40 IKAB Cc1ccc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)cc1C 9366818 KXXQTCJOGJGTOZ-UHFFFAOYSA-N 434.384 5.462 0 40 IKAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9836298 CAJPVGBGLNHTAY-GOSISDBHSA-N 446.528 5.695 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OCc4ccccc4)c2)N3)C1 10058995 DDKOBMRJHOZXOI-NTKDMRAZSA-N 446.616 6.907 0 40 IKAB O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 10245682 PTNFQUWZOGPMKH-UHFFFAOYSA-N 432.907 6.300 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(Cl)c1Cl 10314487 YQVIZMNSCIWNBA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 12160628 CIBZZCQOXBLLDK-BPQIPLTHSA-N 426.527 5.113 0 40 IKAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)Nc1ccccc1OC 12323003 CPTATUBUFFTHIU-UHFFFAOYSA-N 429.472 5.049 0 40 IKAB biogenic C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12511390 QYBILFITAVCJBP-INIZCTEOSA-N 448.592 5.493 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 12622500 HBTIRMHVNXXPSS-UHFFFAOYSA-N 445.588 6.062 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)c2cccc3ccccc23)c2c[nH]c3ccccc23)cc1 12635522 NCVOQODIVTZAMA-AREMUKBSSA-N 433.555 5.949 0 40 IKAB CC(C)(C)NC(=O)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 12645351 XNSBHBBIOJRWNG-FQEVSTJZSA-N 444.453 5.601 0 40 IKAB Cc1nc(C)c(C(=O)O[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 12823087 FHLWNZZDSRNFDH-QGZVFWFLSA-N 434.439 5.316 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc(-c2ccccc2)oc1C 12875536 CFPFYXPUPLQNMB-UHFFFAOYSA-N 425.847 5.294 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)NCCCSc1ccc(F)cc1 12914946 MCIYEOIULSWHHP-UHFFFAOYSA-N 431.964 5.253 0 40 IKAB c1ccc([C@@H](CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)N2CCCC2)cc1 13042128 JLCNPGBUHVCDFQ-OAQYLSRUSA-N 441.604 5.491 0 40 IKAB FC(F)Sc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 13076024 YHEWQVCQHLLDOJ-UHFFFAOYSA-N 440.544 6.690 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)/C=C/c4ccccc4)[C@@H]3CC[C@@H]2C1 13399893 JBTRSWYBSZRTOK-PXCSJGCISA-N 436.636 6.405 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 13926221 QGVGEICAYZRPHT-JAIQZWGSSA-N 437.854 5.411 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)NCc1ccccc1 15018895 SIPZVDGRCVPXFT-UHFFFAOYSA-N 440.528 5.089 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)cc2)N3)C1 16192968 PZRBVADPKFNFKU-FZKQIMNGSA-N 433.415 6.481 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1cccc2c(Cl)cccc12 17098317 VIMIZMAENSJDCI-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 19084726 AUUCTKAHAYMKFN-UHFFFAOYSA-N 434.971 5.509 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(Cl)cc1Cl 19633212 HYMLYWDZAKVNEX-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 19636549 XJQRYNGDQUQILL-MOPGFXCFSA-N 442.559 7.438 0 40 IKAB COc1c(C)cccc1C(=O)N1CCCC[C@@H]1c1nc(N(C)C)ncc1-c1cccc(F)c1 19694611 OONJHMAOQXQBJH-JOCHJYFZSA-N 448.542 5.033 0 40 IKAB CN(C)CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C(C)(C)C)C2 19908564 NMPDSIZNJLGZDF-CQSZACIVSA-N 448.032 5.305 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1ccc(Cl)cc1 20672696 BPYYVQNNSRBHSV-UHFFFAOYSA-N 426.307 5.221 0 40 IKAB C[C@H](SC1=Nc2ccccc2CS1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 22022034 UMXLMMALPBNAPB-NSHDSACASA-N 447.557 6.083 0 40 IKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2cccc(Cl)c2)cc1OCC 22072770 HOOPKCOFNANXJC-UHFFFAOYSA-N 439.943 5.439 0 40 IKAB CC(C)OP(=O)(OC(C)C)[C@H](NCc1ccccc1)c1ccc(Br)cc1 23224591 ROFPXQYPDKOLLL-FQEVSTJZSA-N 440.318 6.281 0 40 IKAB CCOc1ccc(-c2cn3c4ccccc4ccc3[n+]2-c2cccc(C(F)(F)F)c2)cc1 26441550 ZWUKBOMVIRGZGB-UHFFFAOYSA-N 433.453 6.454 0 40 IKAB Cc1nc(CSc2nc3ccccc3c(=O)n2-c2ccc(Oc3ccccc3)cc2)no1 30023789 IOZHOIIFRZGIRG-UHFFFAOYSA-N 442.500 5.162 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(C)c(Cl)c2)cc1OCC 33571543 QESUMAJWFWMKCX-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB O=C(NCc1ccc(F)cc1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 36709657 HDCJLSROUJHGRK-UHFFFAOYSA-N 431.389 5.419 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1OCC 39723965 VLJXZUVFYNZIAF-UHFFFAOYSA-N 449.985 5.534 0 40 IKAB CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 40139323 IEXZYJMPPPXKKR-GHTZIAJQSA-N 442.987 5.116 0 40 IKAB O=C1c2ccccc2N[C@]2(C(=O)Nc3c(Cl)cccc32)N1c1ccc(F)c(Cl)c1 49947070 VMHHICLRUGAECL-NRFANRHFSA-N 428.250 5.010 0 40 IKAB COc1ccc([C@H](C)Nc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261526 NZLYRKNJRYVRSF-HNNXBMFYSA-N 429.911 5.780 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)NC[C@H]2CCCO2)cc1Cl 67293068 PVBHRJXYCNWKAL-LYYOGKFUSA-N 431.319 5.189 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1Cl 67297302 JLISWQQLXAJJSA-RFBIWTDZSA-N 432.907 6.196 0 40 IKAB COc1cc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccccc1F 85412297 QQDWTAXNHYFUJY-NRFANRHFSA-N 441.528 5.370 0 40 IKAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@H]1c1ccccc1OC 95436497 KISBGDCWVGIFRI-ZJSXRUAMSA-N 447.535 5.069 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 100426177 JLKBRYAXGXRAFH-WXTAPIANSA-N 430.935 6.978 0 40 IKAB Cc1scc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)c1C 100492860 WUIVTTCUCRCNIV-IZAXUBKRSA-N 440.012 6.179 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 100709969 PLFDGEWUSRERIU-BIQRORRISA-N 447.534 5.509 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1)N2 100880227 RBDULFMVGAQDCJ-IGVGMEOHSA-N 437.478 5.125 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102716935 UJBZXYAFASJMCL-NYHFZMIOSA-N 432.476 5.314 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222816271 SHLAOECVXZNQGD-IBGZPJMESA-N 443.031 5.728 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2O1 223074959 IUKRHOZXUBYIHY-LJQANCHMSA-N 446.385 5.644 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 223083089 YYAYSOFZJRDNRM-CABCVRRESA-N 439.358 5.007 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2cccc(C)c2)cc1 223330294 WIHNGECJHSYRBP-FDJRJZQMSA-N 446.547 5.271 0 40 IKAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355369 URBDHPPCOZDVPJ-MHZLTWQESA-N 428.576 5.162 0 40 IKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)COc1ccccc1 223367962 GSXKEYICKXMFPL-HHHXNRCGSA-N 444.575 5.142 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)c1 224296106 MJGGCPLPENUGTK-BJKOFHAPSA-N 428.561 5.318 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224327422 PTXVWRXNTXWPAH-RPWUZVMVSA-N 425.561 5.007 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccccc1C 224372541 NKVIXWRLYKYASN-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224961247 VKICGPLPOBOHFI-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225164904 YYVPWAMZBWZFJQ-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)N[C@H](C)CC)cc1 225201061 WIXFJBITXNVBSF-RTBURBONSA-N 429.004 5.167 0 40 IKAB Cc1ccccc1CN(C(=O)CCCSc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C 225494338 QSPBASGQHQHTRO-LJQANCHMSA-N 447.044 5.463 0 40 IKAB S=C(Nc1ccc(Br)c(Cl)c1)NC1(CCc2ccccc2)CCCC1 225859988 QRLHFWXYAHHVEE-UHFFFAOYSA-N 437.834 6.335 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CCC(=O)O)CCc2cccc(Cl)c2)cc1 257229633 FYVNUVKQPFLHNX-UHFFFAOYSA-N 437.923 5.600 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5ccc(Cl)cc5)cn4)C3)ccc2O1 257341671 ZLJCORPCPZPWRO-QHCPKHFHSA-N 447.022 6.419 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C 260934919 NLTIXJDTXBSUFV-CTNGQTDRSA-N 443.031 5.870 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(OC)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408563700 WRHBJKIZHFIQER-FLFQWRMESA-N 435.376 5.855 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccc(Cl)cc1 408578604 ZEJFHQIAZDYWSR-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1Cl 408594850 PLATWSINSZYJMF-UHFFFAOYSA-N 428.941 5.667 0 40 IKAB CSc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)c1 408627462 ZWTDVJLDXPXTCI-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1cccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)c1 409115581 MVLXFJGUCNPPAI-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(=O)OCc3ccc(Cl)c(Cl)c3)cc2)cc1 409177462 FJKIRJAFHCBQHU-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCCCC2)cc1 409202874 SVOBJQUCCYGADD-UHFFFAOYSA-N 448.636 5.110 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 409221432 QDQYAYZPCKCSLH-OEAKJJBVSA-N 432.907 5.320 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3nc(-c4cccc(OC)c4)cs3)c2C)cc1 643586888 HXALNWSZNXLFEW-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB CCCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)N[C@@H](C)c3ccccc3)nc21 659420 VRTVOYOXZRMDBM-OXJNMPFZSA-N 433.581 5.138 0 40 IKAB CC1CCN(C(=O)COc2ccc3cc(Br)ccc3c2Br)CC1 674819 ZGZDKMYQCVYIMY-UHFFFAOYSA-N 441.163 5.002 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CCCC4=O)c(C)c1 834439 UHEBCESDDSSNPM-UHFFFAOYSA-N 433.529 5.831 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cnn2c1N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 866510 GUUVTSIIXBWRTG-GOEBONIOSA-N 440.878 5.819 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(F)cc3)c3ccccc32)cc1 1320574 BGOBCJAALTXNHA-MHZLTWQESA-N 431.507 5.131 0 40 IKAB O=C(CSc1ncccc1-c1nc2ccccc2[nH]1)Nc1cccc(Cl)c1Cl 1329233 JBGZUTMEZYZCQW-UHFFFAOYSA-N 429.332 5.663 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 1333640 PSHVDEKXOKPWIK-XMMPIXPASA-N 436.577 5.334 0 40 IKAB COc1ccc(CCn2c(-c3ccc(OC)cc3)c(-c3ccc(OC)cc3)oc2=O)cc1 1426863 VQZUXKIMSXHHGM-UHFFFAOYSA-N 431.488 5.044 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc2ccccc12 1817934 LYPUPFQUSYGMSY-UHFFFAOYSA-N 449.622 7.263 0 40 IKAB Cc1cccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 1821466 NUJQIJNOQJQPRJ-UHFFFAOYSA-N 432.614 5.969 0 40 IKAB CCCCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(C)(c5ccccc54)[C@H]3C2=O)cc1 2030643 PPOZJDHLKUGABS-PAHSPFOQSA-N 437.539 5.436 0 40 IKAB biogenic Cc1ccc(C(=O)NC(Nc2nc3ccccc3s2)(C(F)(F)F)C(F)(F)F)cc1 2207735 ZBNCLHYCIYBODG-UHFFFAOYSA-N 433.377 5.268 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)NCc3ccccc3)c3nc4ccccc4nc32)cc1 2309790 QWPOZWKDXKNFIK-UHFFFAOYSA-N 449.558 5.429 0 40 IKAB CCn1c(NC(=O)c2ccc(Cl)cc2Cl)c(-c2ccccc2)c(=O)c2ccccc21 2339841 ZONWGMNOIHKBJW-UHFFFAOYSA-N 437.326 6.248 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccccc2F)n1Cc1ccco1)CCCC3 2366213 LQWARBVQNFEJHJ-UHFFFAOYSA-N 426.538 5.410 0 40 IKAB CC1=C(C)SC(=c2sc3n(c2=O)[C@@H](c2ccccc2)C=C(c2ccc(C)cc2)N=3)S1 3192618 SKJZXGBFYINVQM-HXUWFJFHSA-N 448.638 5.279 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 3287239 LAJOTRYCLZLFQW-IBGZPJMESA-N 439.515 5.286 0 40 IKAB Cc1ccc2nc(-c3ccccc3)cc(C(=O)OCc3ccc(-c4ccccc4)cc3)c2c1 3533728 MBJNWJJWMIKBFY-UHFFFAOYSA-N 429.519 7.234 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)CC(C)C 4122731 XDGXFXSQJULPTO-UHFFFAOYSA-N 425.554 5.486 0 40 IKAB COc1ccc(CNc2c(F)c(F)c3nc4c(cc3c2F)c(-c2ccccc2)nn4C)cc1 8453517 BCNBYEBYEHOUHY-UHFFFAOYSA-N 448.448 5.827 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)N[C@@H]1CCCc2ccccc21 8898769 LMSJUHNZLKXOKW-JOCHJYFZSA-N 443.576 5.047 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc1O2 9135349 OIVKMASVQSQFKL-UHFFFAOYSA-N 426.394 5.648 0 40 IKAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 9198937 LLFFSNKBMRAFGA-UHFFFAOYSA-N 445.559 6.011 0 40 IKAB Cc1ccnc(SCc2nc3cc(NC(=O)Nc4cccc(Cl)c4)ccc3n2C)n1 9421435 DRTVATJGGYZURW-UHFFFAOYSA-N 438.944 5.261 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc([C@@H](C)Oc4ccc(F)cc4)o3)n2)cc1 9451713 IABDTUPFUNYFMU-CYBMUJFWSA-N 426.473 5.253 0 40 IKAB O=C(c1ccccc1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 9587980 IHPREWUFRUVTDE-GOSISDBHSA-N 443.366 5.398 0 40 IKAB Clc1ccccc1-c1nnc([C@H](Nc2ccccc2Br)c2ccccc2)o1 9683259 KKKMKRCJUNKBJA-LJQANCHMSA-N 440.728 6.354 0 40 IKAB Cc1cc(C)c2nc(Nc3nc(C)c(Cc4cccc5ccccc45)c(=O)[nH]3)nc(C)c2c1 9846924 QPLKBVZGILSSKL-UHFFFAOYSA-N 435.531 5.434 0 40 IKAB Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@H]2c1ccccc1 10075173 YJRLGWRRPQLLGY-MHZLTWQESA-N 447.969 7.779 0 40 IKAB COc1cc(NC(=O)c2sc3ccccc3c2C)c(OC)cc1NC(=O)c1ccccc1 11653555 NJSIRWUHPJDEFE-UHFFFAOYSA-N 446.528 5.732 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1OC 12194584 KVNZKNXBBWKINH-AJTFRIOCSA-N 446.547 6.408 0 40 IKAB COc1ccc(-c2csc(/C=C/c3c(C)nn(-c4ccc(F)cc4)c3Cl)n2)cc1 12555512 HPFBWYRNAZXQBC-VAWYXSNFSA-N 425.916 6.276 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)cc2Cl)c1 12758428 HQPIDAOXVIEECG-UHFFFAOYSA-N 449.359 5.461 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nnc(CN(Cc2ccc(F)cc2)C2CCCCC2)s1 12779097 HLSSFZFWIJZUCG-UHFFFAOYSA-N 442.535 5.404 0 40 IKAB CC[C@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccc(C)cc1 12822238 MONRICGLMVVADX-FQEVSTJZSA-N 431.561 5.009 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2ccc(Cl)cc2)o1 12855467 GQFJHAMPTWSYMF-UHFFFAOYSA-N 434.845 6.471 0 40 IKAB Cc1cc(-c2csc(CC(=O)NCc3ccccc3)n2)c(C)n1Cc1ccc(F)cc1 12910094 JHGCQCPIYUYZOH-UHFFFAOYSA-N 433.552 5.275 0 40 IKAB COc1ccc(C(=O)CSc2nc(C3CCCCC3)nc3sc(C)c(C)c23)cc1 13499941 YQANNZJHMNEPGR-UHFFFAOYSA-N 426.607 6.339 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C3CCCC3)[C@@H](c3nnnn3C3CCCC3)C(C)C)cc2c1 13500626 ZYOSCURQRURKSH-XMMPIXPASA-N 448.615 5.080 0 40 IKAB O=C(NCc1ccco1)c1ccccc1NC(=O)c1ccccc1OCc1ccccc1 13684727 OFGDYJABFHHPRS-UHFFFAOYSA-N 426.472 5.041 0 40 IKAB COc1cc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccc(Cl)cc1 13995200 IWAOIEDUFTYJGZ-RNODOKPDSA-N 443.956 5.122 0 40 IKAB O=C(Nc1ccccc1O)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 14139635 VBEROSUKQQPOAQ-UHFFFAOYSA-N 448.523 5.058 0 40 IKAB COc1cc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(OC)cc1Cl 15970614 WKCQNGTWESZWGO-UHFFFAOYSA-N 427.728 5.647 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)c2cccc(C)c2)cc1 16309805 DNDSSCLYHKAMRC-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)cc1 17094568 MARSEBUPJCYZEL-UHFFFAOYSA-N 425.598 5.085 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)Nc1ccccc1O 17098329 JLNRHUAHHBTGMM-JXMROGBWSA-N 433.316 5.485 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1 17100906 TZDSMCPEMAYAQA-QGZVFWFLSA-N 436.939 6.123 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)cc1C 17250547 GOWKQLXHFCSRDU-UHFFFAOYSA-N 436.581 5.350 0 40 IKAB CCn1c(Sc2c(-c3ccccc3)c3ccccc3[nH]c2=O)nnc1-c1cccs1 18136748 AVGWYYLVIWTKAH-UHFFFAOYSA-N 430.558 5.686 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H](c2nc(-c3cccs3)cc(C(F)(F)F)n2)C1 19562136 ZULWFGTUYBIDRS-LBPRGKRZSA-N 438.500 5.009 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)cc1 19648269 GGZASTUHOGTQNW-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 19690576 RMDDAFKFMGJDRC-DEOSSOPVSA-N 428.532 5.125 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3ccc4c(c3)ncn4C)CC2)n1 19691193 LCQIGNLWKQFKSZ-UHFFFAOYSA-N 428.511 5.103 0 40 IKAB Clc1ccc(OCCCCNc2cccc(OCCc3ccccc3)c2)c(Cl)c1 19737464 WXNHLIUEGDHRLT-UHFFFAOYSA-N 430.375 6.886 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(F)cc1 20098721 LUVZBTBHTFNBHG-XMMPIXPASA-N 447.533 5.498 0 40 IKAB O=C(CSCc1cccc(Br)c1)NCCSCc1cccc(Cl)c1 20238277 STBDHKMJZPSTDK-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610643 CLXFGSBKJHEUFT-GOSISDBHSA-N 428.536 5.974 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2OC)c1 21580368 SMYGRXOSZRBIQO-UHFFFAOYSA-N 431.492 5.288 0 40 IKAB CN(Cc1ccccc1N1CCOCC1)C(=O)c1ccccc1SCc1ccsc1 21962873 GMPSFUMKBJCSAK-UHFFFAOYSA-N 438.618 5.149 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccccc1F 22110725 ZMYHAFADCCKENW-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)c1 22274128 XDDXXNRUBDKFCV-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Oc1c([C@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852191 WZHZTEUYSPLKBU-FQEVSTJZSA-N 446.507 5.043 0 40 IKAB Cn1c(SCc2ccc(N3CCCC3=O)cc2)nc2cc(-c3ccccc3)sc2c1=O 23127067 HWKNABILCZBFOB-UHFFFAOYSA-N 447.585 5.081 0 40 IKAB Cc1cccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3sc4c(c23)CCCC4)c1 24830154 WSJPNRIRFCYKOB-UHFFFAOYSA-N 433.598 6.221 0 40 IKAB O=c1c(Nc2ccccc2Cl)nnc(SCc2ccccc2Cl)n1-n1cccc1 28536375 GGUYVOCFSKLMLA-UHFFFAOYSA-N 444.347 5.094 0 40 IKAB O=C(O)c1ccc2c(c1)nc(-c1ccc(OCc3ccccc3)cc1)n2C1CCCCC1 28572342 GWCTUYUNVJTNJR-UHFFFAOYSA-N 426.516 6.486 0 40 IKAB CN(C(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)[C@H]1CCCc2ccccc21 29258970 YUYQQPCGCDAPCI-PKOBYXMFSA-N 434.483 5.044 0 40 IKAB Cc1ccc(OCC(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 35671766 LWSGRSSIGAMXPG-UHFFFAOYSA-N 443.528 5.388 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2cccc(Cl)c2)CC1 39763345 MYZCRSSLMUMSOK-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Cl)sc1C(=O)N[C@@H]1CCOc2ccccc21 40119055 OFMQBUOPIWTJOF-QGZVFWFLSA-N 426.925 5.216 0 40 IKAB Cc1ccc2c(Nc3ccc(OC(F)(F)F)cc3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1 49005374 SWICSWGEJOYCLA-CQSZACIVSA-N 444.457 5.453 0 40 IKAB O=C(Nc1nc(-c2ccccc2)ns1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 59120211 OJJVFLYBFJCXLH-UHFFFAOYSA-N 449.845 5.315 0 40 IKAB COc1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 66138466 BAYHYJJOEGRBQC-UHFFFAOYSA-N 426.432 5.802 0 40 IKAB CCc1c(NC(=O)[C@H](c2ccccc2)N2CCCCC2=O)noc1-c1ccc(Cl)s1 89282603 OHZZUPIKNMBEJN-IBGZPJMESA-N 443.956 5.311 0 40 IKAB Clc1ccc(C2=NN3[C@H](c4ccccc4)Oc4c(Cl)cc(Cl)cc4[C@H]3C2)cc1 102790312 PVZCLABLYJNPSD-IRLDBZIGSA-N 429.734 6.889 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1Cl 107890473 LKRQJZWSXILUNH-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB CC[C@@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220699708 UUUYXWRTDHOVLS-IBGZPJMESA-N 443.396 5.300 0 40 IKAB CC(C)Oc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582827 DDZAAXPGHQTUCB-FASAQXTFSA-N 432.387 5.221 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 222984692 YFHWGMHGEYQVCZ-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 223342632 XLDGGMSAYKLENQ-RPBOFIJWSA-N 442.588 5.314 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1C1CCCC1 223380574 NSMLAEAXGDWTMS-RPBOFIJWSA-N 430.621 5.788 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc4ccccc4c3)cc2C)cc1 224205866 KNOQCZVOHRBMGA-UHFFFAOYSA-N 444.556 5.534 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224307096 YTYLAWVPMOMCNF-UHFFFAOYSA-N 439.555 6.805 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224308576 MJOJDYOJDTUXGD-GOSISDBHSA-N 445.946 6.572 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccccc3Cl)c2)cc1 224340297 XCLMOXVFMBFVFZ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 224643468 PYNRCXDHJXHAFE-SFHVURJKSA-N 445.028 5.049 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224674555 CJXNFUBNXADQAK-IBGZPJMESA-N 442.600 5.092 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COCc1ccccc1 224747855 HQGDZEAEPVNQBV-UHFFFAOYSA-N 430.331 6.361 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224890899 XRUZVJRHDLUKRZ-MRXNPFEDSA-N 427.342 5.174 0 40 IKAB CN(c1ccc(Br)c(Cl)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224940886 DVAYSNFIVVSTNQ-UHFFFAOYSA-N 429.550 5.234 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Cl)s2)cc1Cl 224948188 LNYUXLQSWFDKRX-MSOLQXFVSA-N 436.389 5.636 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n1Cc1ccccc1 225013684 XPFKQPOUHHWCAT-DQEYMECFSA-N 430.621 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225491535 NEIFMNJYVREZIU-HRAATJIYSA-N 435.395 5.258 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Br)c(C)c2)c2ccccc2)c1 225699055 FCNQBLSDXQPPCG-OAQYLSRUSA-N 425.395 6.142 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)N[C@@H](C)c3ccccc3)n2)C1 225963561 HLRMOTNOLGAHJV-ZNMIVQPWSA-N 437.535 5.025 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc(C2CCN(C(=O)c3ccc4c(c3)C[C@H](C)O4)CC2)n1 257247434 IYZYENWMCNWRGE-KRWDZBQOSA-N 446.526 5.011 0 40 IKAB O=C1C[C@H](c2ccccc2)[C@H]2[C@@H](NCc3ccccn3)CCC[C@H]2N1Cc1ccc(F)cc1 257280656 OLTZASMTQRCTMT-ASUDMDKOSA-N 443.566 5.064 0 40 IKAB CC1CCN(C(=S)c2ccc(OCc3ccccc3Cl)c(Br)c2)CC1 408577069 RDRZMSKNAWAMQX-UHFFFAOYSA-N 438.818 6.089 0 40 IKAB Fc1ccc(COc2c(Cl)cc(CNc3ccc(F)c(Cl)c3)cc2Cl)cc1 408607287 KOBBOHJEQDCQBL-UHFFFAOYSA-N 428.693 7.116 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1 408923234 UTYNPIHILPSHNS-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB Cc1ccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1C 408977551 IYJHZHIARPERRN-UHFFFAOYSA-N 431.499 5.623 0 40 IKAB COc1ccc(CSC2=NC(C)=C(C(=O)Nc3ccccc3)[C@H](c3ccccc3)N2)cc1 408985356 ARELTPKWTXDLAR-DEOSSOPVSA-N 443.572 5.542 0 40 IKAB COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)o2)cc1C 409020076 YZMVMRLGCMWPMM-UHFFFAOYSA-N 433.371 5.617 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(OC)c2)cc1 409119978 RPOHRHUAXBGYOT-UHFFFAOYSA-N 431.963 7.255 0 40 IKAB Cc1ccc(OCc2nnc3n2N=C(c2ccccc2)[C@@H](c2ccc(Cl)cc2)S3)cc1 409196901 RYIUZHHRLUFWMJ-HSZRJFAPSA-N 446.963 5.918 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)c(OC)c2)C1=O 409201645 NHHKXJCPPFODAY-JCMHNJIXSA-N 425.550 5.809 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br 409343819 HXJHFDDKJFYPQR-RGEXLXHISA-N 446.366 5.517 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 585291733 FKXHUDPUOBFBHH-DRUFCSCSSA-N 433.581 5.369 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)Oc2ccccc2)c1 713067 YSRRIXDWAXZPDM-MRXNPFEDSA-N 438.911 5.397 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(I)cc3)nc2c1)c1ccccc1 793651 XCISRFVHVHZCBT-UHFFFAOYSA-N 440.240 5.352 0 40 IKAB Cc1cc(C)c2[nH]c3nc(SCC(=O)Nc4ccccc4-c4ccccc4)nnc3c2c1 877614 HSSTXPCAMLBZPA-UHFFFAOYSA-N 439.544 5.521 0 40 IKAB COc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 878760 BYGVOCXVVRJORI-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)/C=C/c3cccc(Cl)c3)cc2)cc1 995132 KQNQRVSISIGRCM-VGOFMYFVSA-N 426.925 5.101 0 40 IKAB Cc1sc(NC(=O)c2ccccc2F)nc1-c1ccc2c(c1)C[C@H](C)N2C(=O)C1CC1 1366164 JBNQRMOROTUDTM-ZDUSSCGKSA-N 435.524 5.198 0 40 IKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)[C@@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 1410114 YSBBYOTWFWUSLC-DNQXCXABSA-N 437.580 5.451 0 40 IKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)Nc3ccccc3C)c2c1 2078793 VDKHXZKPGCPWCH-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2O)n1 2339831 DQBWAFNTSLNTJX-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic O=C(CCCSc1nnc(-c2ccc3c(c2)OCO3)n1-c1ccccc1)c1ccccc1 2625328 CUHUPWTZISQSLT-UHFFFAOYSA-N 443.528 5.418 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1C 2643108 FJWOVMXWTZYSRF-UHFFFAOYSA-N 445.503 5.137 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)CSc2nc(-c3cccs3)n[nH]2)c2ccccc21 2643926 BZXJPIVQNURQHJ-UHFFFAOYSA-N 430.558 5.667 0 40 IKAB CCOc1ccc(OCCSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3321277 FOMWUINCVGZRJZ-UHFFFAOYSA-N 429.545 5.775 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2cn3cccnc3n2)c1 4004886 YCPHKZWSXWBFHG-UHFFFAOYSA-N 429.867 5.265 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@H](O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 5925649 SXJVFYZNUGGHRG-GDDJFQTCSA-N 430.717 6.996 0 40 IKAB biogenic,in-man CCCCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 6481095 KYACWTORVUCDCS-UHFFFAOYSA-N 430.935 6.986 0 40 IKAB O=C1[C@@H](Oc2ccccc2)[C@@]2(c3ccccc3)C[C@H](c3ccccc3)Sc3ccccc3N12 8385782 QRYJUSMKRBSNCZ-QQJNOOCOSA-N 449.575 6.613 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 8727891 IGHHOCBJPFBAJF-VGOFRKELSA-N 432.593 5.555 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)/C=C/c3ccc(C(C)C)cc3)nc2cc1Cl 8831129 VAQLACPBGHMXRC-RMKNXTFCSA-N 445.997 5.608 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 8924156 SIUFOOOEUFKCPZ-LBPRGKRZSA-N 427.530 5.308 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3cccs3)o2)cc1 8941022 GLHIGNBUWVKYKQ-UHFFFAOYSA-N 443.575 5.194 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 9075875 ZGAMXOYAEZLQFZ-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB COc1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101797 OVYLEXJCDNUTAF-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB Brc1ccc(CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9199826 SXSDUURSFSOUHD-UHFFFAOYSA-N 437.362 6.305 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(OC)cc2)cc1O 9410101 MIWRNPAHQDQRJJ-UHFFFAOYSA-N 432.476 5.561 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 9480015 PXVSBCZDZIZGGL-RUZDIDTESA-N 441.568 5.422 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(COc5ccccc5)c4)ccc3o2)cc1C 9833492 RSHAWOHEHDEMQR-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Oc3ccccc3)cc2)c1 10041785 MZKWXDSVTHGXCM-UHFFFAOYSA-N 438.479 6.012 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc(C)c4)cc3)nc2c1 10119699 JEDWIKXLQQVWTB-UHFFFAOYSA-N 435.321 6.380 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4sc5ccccc5c4Cl)cc3)oc2cc1C 10120377 KTPKDBULWHFVSL-UHFFFAOYSA-N 446.959 6.910 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@@H](c1ccccc1F)N(c1nccs1)C3=O 10233031 RUKVONVVJQCVEM-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB CC[C@H](CNC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C)c1ccccc1 10869325 ONWIJCVUXHIFLN-MRXNPFEDSA-N 444.000 5.033 0 40 IKAB CSc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)cc1 11140513 XXUBAYJYSJJARX-OAHLLOKOSA-N 434.533 5.051 0 40 IKAB CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc(Cl)cc3)n2CC)n1 11526294 GURCBNSLDGSTMQ-UHFFFAOYSA-N 441.944 5.359 0 40 IKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Br)c(C)c1)CO3 11866647 PCPQPQZMNVKAPF-UHFFFAOYSA-N 428.326 5.481 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 12601054 LNAQAWGSEDGDOW-NRFANRHFSA-N 443.616 5.509 0 40 IKAB COc1cccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 12603070 RTAAOUUSMFTSJM-UHFFFAOYSA-N 441.862 5.284 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)c2cc3cnn(C(C)C)c3nc2C)cc1 12700507 KMHBWTNNXNCMQG-UHFFFAOYSA-N 430.508 5.764 0 40 IKAB CCOc1ccc(-n2c(SCc3nc(CC)no3)nnc2-c2cccc(Cl)c2)cc1 12770036 USCXEGVQIAOUHY-UHFFFAOYSA-N 441.944 5.224 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 12847371 NKXCLSBUDOGTOG-DZGCQCFKSA-N 445.228 5.696 0 40 IKAB CCOc1ccc([C@H]2CCCN2Cn2nc(-c3ccccc3Cl)n(C)c2=S)cc1 12853397 DQOLGEQQUJDMQH-HXUWFJFHSA-N 428.989 5.465 0 40 IKAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(C)sc3C)nc3onc(C)c23)c1 12917697 DALUEEULTXCELJ-UHFFFAOYSA-N 435.505 5.224 0 40 IKAB FC(F)(F)Oc1ccc2nc(/C=C/c3ccc(Cl)cc3Cl)c3c(c2c1)SCC3 12958781 ZOSKPAZPSRBDCU-GORDUTHDSA-N 442.289 7.259 0 40 IKAB CC(C)CCn1c(COc2ccccc2)nn(CN(C)Cc2ccc(Cl)cc2)c1=S 13073539 HFWKEPYQCPWFCL-UHFFFAOYSA-N 445.032 5.782 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1C 13388731 XDYGRXVDDWPWBU-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccccc1 13498411 HHGMMBQOSQOIRP-AREMUKBSSA-N 446.616 5.741 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 14154546 PUNCWCGEBHOWHC-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 14358775 VQFLAGQJRQBFRA-QHCPKHFHSA-N 446.528 5.586 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)/C=C/c1cccs1 14405137 GJSDQXMSVOXGBR-CCEZHUSRSA-N 442.544 5.455 0 40 IKAB O=C(OCc1c(Cl)cccc1Cl)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 16399248 UFXZKLYTAORNIR-HZPDHXFCSA-N 432.303 5.030 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(=S)o2)cc1 16768677 CDFHDZWIIMRVNU-UHFFFAOYSA-N 427.835 5.492 0 40 IKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 17095952 DOMXKJUYLUKQNZ-SFHVURJKSA-N 428.532 7.049 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(F)c1F 17096384 ILTAATQGVHQKAJ-UHFFFAOYSA-N 429.373 5.356 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 17097527 ICDQHHQPPULKHS-UHFFFAOYSA-N 431.517 5.193 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCc2ccc(Cl)cc2)C4)cc1 19882509 CXUIHIMPXSJSKA-UHFFFAOYSA-N 447.918 5.517 0 40 IKAB biogenic COc1ccc(C)cc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20357196 WMZIUEMMCLOTJO-NRFANRHFSA-N 448.910 5.618 0 40 IKAB COc1cccc(Nc2cc(C)nc3c(-c4ccccc4Cl)c(C(F)(F)F)nn23)c1 21150477 ZNYVXAASEVMJDS-UHFFFAOYSA-N 432.833 6.129 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3ccc(Cl)c(C)c3)n2)cc1 22461004 AWIGJKVFHDPNQZ-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB O=C(NCc1cccc2ccccc12)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503260 OGDMCOLHJKUOLV-UHFFFAOYSA-N 435.527 5.755 0 40 IKAB C[C@H](Oc1ccccc1)c1nc2ccccc2n1C[C@H](O)COCc1ccccc1Cl 24060514 PCLFJPKCJCFBOK-ICSRJNTNSA-N 436.939 5.407 0 40 IKAB C[C@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(F)cc1F 24831535 XVJLARYHOWOKBJ-NSHDSACASA-N 431.895 5.434 0 40 IKAB Cc1cc(NC(=O)C(Cl)(Cl)Cl)cc(-c2nc3cc(C(C)C)ccc3o2)c1O 30830738 SLNBYLSDGKKOSI-UHFFFAOYSA-N 427.715 5.941 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccccc2F)ccc1NC(=O)c1cc2ccccc2o1 32115600 UWSWWFMEKDMXCW-UHFFFAOYSA-N 447.491 5.259 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)c1 33451189 LHJZMMTYFFTESZ-UHFFFAOYSA-N 439.427 6.224 0 40 IKAB Cc1ccc(Nc2ccc(C)cc2P(C(C)C)C(C)C)c(P(C(C)C)C(C)C)c1 33798703 OHWMYFBSMLPIRY-UHFFFAOYSA-N 429.569 7.895 0 40 IKAB in-vitro CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)cc1 35042744 GZFBLCHBUJBRQZ-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB O=C(NCc1c(F)cccc1F)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 49032359 JYMBRIMSGYIWEN-UHFFFAOYSA-N 426.444 5.190 0 40 IKAB COc1cc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(OC)cc1Cl 61440774 SNIRXSVGKWFBNT-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB COc1cccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc4nccnc4c3)C2)c1 69701139 JPKSZFZZASZSSN-DEOSSOPVSA-N 442.906 5.283 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@H]2c2cccc(Nc3nc(C)cs3)n2)cc1 72375893 CJTZJRHJEXOBEE-FQEVSTJZSA-N 436.581 5.240 0 40 IKAB CCc1nc([C@H](C)NC(=O)Nc2ccc(CN(C[C@@H]3CCCCO3)C(C)C)cc2)cs1 95460785 IYDKMQODXPBXBZ-RXVVDRJESA-N 444.645 5.368 0 40 IKAB COC(=O)C[C@@H](c1ccc(C)c(C)c1)c1c(O)ccc2c(=O)c(-c3ccc(O)cc3)coc12 96116068 DLVNYBCESLTWRU-NRFANRHFSA-N 444.483 5.183 0 40 IKAB biogenic O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106721543 RACIJQGXONNQAT-NSIKDUERSA-N 449.142 6.242 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222985203 XRKXQWUBNGPLPR-VXKWHMMOSA-N 435.549 5.121 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223701511 WRXFTPDEIMFLPR-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)s2)cc1 224163831 STBJKGIJOSPNEB-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1C 224284902 FYVBNJYBZAHGNO-JWQCQUIFSA-N 430.621 6.182 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 224732382 WPBHABJWCIGSCQ-QHCPKHFHSA-N 429.004 5.079 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 224901107 FIBDHEGHMZQHIN-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225288871 LQESYAOTDSFDAE-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(C(F)(F)F)cc(C(F)(F)F)c4)cn1c23 226093967 VYAUCMHGRXSYCE-SNVBAGLBSA-N 440.343 5.409 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cccc(Br)c3)nc2c1 226282881 PMLBQZPHWOHZPU-UHFFFAOYSA-N 427.220 5.481 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccnc4O[C@H]4CCOC4)cc3)sc2c1 240067996 SGTIQHZMCHBEAB-SFHVURJKSA-N 431.517 5.087 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(CCc2ccccc2)CC1 257323481 WKJYWYUNGDSMCZ-UHFFFAOYSA-N 441.619 5.141 0 40 IKAB O=C(c1csc(-c2ccccc2)n1)N(CCn1ccc(-c2ccncc2)n1)C1CCCC1 390826359 JADWRMJNIFQIMX-UHFFFAOYSA-N 443.576 5.154 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc(Cl)c1OC 408554843 FWYWZNHAOUXIGH-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(Cl)cc2)c1 408697034 DWNYMPXYOLMUOK-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)cc2C)c1 408698158 LPDGKLLIQHRWEQ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(C)c2)cc1 408700010 YHRBEYYPVKZXHU-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 408932859 FEBAQQCDRVAYPL-BKUYFWCQSA-N 448.906 5.021 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 409013167 LVHXVCSMMGBVCJ-JFENUBAZSA-N 436.360 6.407 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2cccc3ccccc23)c(Br)c1 409111569 JJKSIUXFHHZKSV-UHFFFAOYSA-N 446.388 7.356 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccccc1F)c1cn(CCC(C)C)c3cccc(c13)N2 524734494 KLSLLLGZJASLSM-QHCPKHFHSA-N 431.511 5.027 0 40 IKAB Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265898 VRCYLBJADRZLOO-KNAFXUBQSA-N 438.564 5.824 0 40 IKAB CC(C)Cn1c([C@H]2CCCN2C(=O)C[C@H](c2ccsc2)n2cccc2)nc2ccccc21 1614476542 NTTLGTSHRSMWBN-DNQXCXABSA-N 446.620 5.899 0 40 IKAB Cc1ccc(CNC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 646582 ZZYOUNBTUCHNQD-HNNXBMFYSA-N 431.483 5.268 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 990095 VJAXNEIEEZAGNW-HHHXNRCGSA-N 447.962 5.645 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=S)NC2CCCCC2)cc1 1224648 SMQLGOQXSMIYQI-UHFFFAOYSA-N 449.620 5.055 0 40 IKAB COC(=O)c1sccc1-c1ccc(COC(=O)Nc2cccc(C(F)(F)F)c2)o1 1393395 SUYZKFSCYTUWFX-UHFFFAOYSA-N 425.384 5.562 0 40 IKAB Cc1cccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2cccs2)c1C 1454350 DJJFEHPYRJTYFH-UHFFFAOYSA-N 439.993 6.241 0 40 IKAB CC(C)OC(=O)Nc1ccc(-c2ccc(NC(=O)OC(C)C)cc2Cl)c(Cl)c1 1676311 ITFXPKXWOFSGIH-UHFFFAOYSA-N 425.312 6.574 0 40 IKAB Cc1ccc(Cn2c(SC(C)C)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1 1826880 PFZSEMNLASAAIV-UHFFFAOYSA-N 444.644 6.526 0 40 IKAB biogenic CCCCCOc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc1OC 1904262 DJDRBHXPCPDTIH-FYWRMAATSA-N 436.577 6.348 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccccc1-c1ccccc1 2202471 DEEJELCMWFYPBS-UHFFFAOYSA-N 445.634 7.769 0 40 IKAB COc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc4c(c3)OCO4)c2)cc1 2209642 ZXLVKEAMQSVZEZ-SZXQPVLSSA-N 429.472 5.695 0 40 IKAB COc1ccc(Nc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)c(OC)c1 2266665 FYMUBWCBEYYPJG-UHFFFAOYSA-N 426.303 6.364 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccccc2)cc1 2435823 ONSDAUXCDIKZDH-SFHVURJKSA-N 443.576 5.574 0 40 IKAB CSc1ccc([C@H]2C3=C(Nc4ncnn42)c2ccccc2O[C@H]3c2cccs2)cc1 2707427 XWJJRFFVLPQTDN-VXKWHMMOSA-N 430.558 5.621 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)cc1Cl 2714367 UNTDUVIJTXYTLB-UHFFFAOYSA-N 440.934 6.802 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NCCc3c[nH]c4ccccc34)cc12 3219975 BSXUWGGIVTYEQA-UHFFFAOYSA-N 434.952 5.503 0 40 IKAB S=C(NC1CC1)c1c(-c2ccccc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 3259364 SNKJUTYHMUKRQP-UHFFFAOYSA-N 446.019 6.492 0 40 IKAB FC(F)(F)c1cnc(NNC(=S)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1 3310632 GMLNTQSYMLIASL-UHFFFAOYSA-N 449.207 5.740 0 40 IKAB O=C(Nc1ccccc1OC(F)F)c1ccccc1OCc1ccc(Cl)cc1Cl 3325049 IUAAZEISXXIQJA-UHFFFAOYSA-N 438.257 6.426 0 40 IKAB CC(C)CN(CC(C)C)CC(CN(CC(C)C)CC(C)C)OC(=O)Nc1ccccc1 4777809 LUVABQGXTJXMOX-UHFFFAOYSA-N 433.681 5.832 0 40 IKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CN(C)CC4)c1 8448591 NOVBDZFIWUWQPR-UHFFFAOYSA-N 434.590 5.156 0 40 IKAB aggregator CCSc1ncc(Cl)c(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)n1 8612071 YAGSYYLNDPLWNU-UHFFFAOYSA-N 437.908 5.472 0 40 IKAB Nc1c(C(=O)C(F)(F)F)sc2nc(-c3cccs3)cc(-c3ccc(Cl)s3)c12 8742339 VZDQFASLTFLRPL-UHFFFAOYSA-N 444.912 6.734 0 40 IKAB Sc1nnc(Sc2c(-c3ccccc3)nc3ccccc3c2-c2ccccc2)s1 8780095 DMPGVJALLDUMKX-UHFFFAOYSA-N 429.595 6.860 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1cccc2cccnc12)C(=O)CC(C)(C)C3 8870377 UBCRUPCLVSXLLO-UHFFFAOYSA-N 434.517 5.245 0 40 IKAB CCCCCN1C(=O)N(c2ccccc2C)[C@H](N(O)C(=O)Nc2ccccc2C)C1(C)C 9019510 MMCTVUKDVKRYIG-JOCHJYFZSA-N 438.572 5.764 0 40 IKAB CCCN(CC1CC1)C(=O)NC[C@@H](c1cccc(OC)c1OC)c1c[nH]c2ccccc12 9218860 CRHZMVPMPXDASU-QFIPXVFZSA-N 435.568 5.149 0 40 IKAB O=c1[nH]c(SCc2ccccc2)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 9353886 YMYVBEHKQOCSHT-UHFFFAOYSA-N 441.581 5.981 0 40 IKAB CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccccc1C(F)(F)F 9374449 FDYSZUQDISYRGY-NRFANRHFSA-N 443.446 7.643 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3nc2O)C(=O)c2cccc(Cl)c2)c1 9431062 OKGLUUUAPKBZDW-UHFFFAOYSA-N 430.935 6.366 0 40 IKAB O=C(NCCNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc2ccccc2o1 9576814 CHOSJQQWXSGQFR-UHFFFAOYSA-N 433.316 5.114 0 40 IKAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1cc(C(F)(F)F)ccc1Cl 9634503 NHQXPWZQOXXNBY-UHFFFAOYSA-N 425.712 5.173 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=S)Nc2ccccc2)c1 9713656 KNPCDOWMAOWIFS-UHFFFAOYSA-N 445.997 5.364 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccc2c(c1)OCO2 10245771 NZEWOHIVBRCQJV-UHFFFAOYSA-N 444.443 5.065 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4ccc(C(C)C)cc4)ccc32)cc1 10327578 YLCCVFQIBJWYAG-UHFFFAOYSA-N 434.561 5.122 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN23)cc1 12194088 XSZDHVSPNKKBEJ-IAPPQJPRSA-N 442.559 6.507 0 40 IKAB COc1ccc(CCCNc2ncc(-c3cc(C)no3)c(-c3ccoc3C)n2)cc1OC 12251505 QRZYAJSXVOHMOL-UHFFFAOYSA-N 434.496 5.070 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(OCc4ccccc4)cc3)[nH]c2c1 12530577 YKLYNXQYPOIFTF-UHFFFAOYSA-N 433.533 5.271 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3cccc(OC)c3)c2c1 12893592 WCYLCPXSZYFMKE-UHFFFAOYSA-N 439.467 6.030 0 40 IKAB biogenic CCc1ccccc1NC(=O)CN(C)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 12988966 AMVQQHFLISACMC-UHFFFAOYSA-N 427.957 5.045 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13109150 CCVCHMVXOFPPPB-UHFFFAOYSA-N 434.970 5.312 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)cs2)cc1 13112462 NSAOKNYVDHJKDE-UHFFFAOYSA-N 444.866 5.956 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1Cl)c1ccccc1OCc1ccccc1 13687132 KYPIFVWTXYSJKE-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCc1nnc(NC(=O)c2cc(-c3cccc(Br)c3)nc3ccccc23)s1 13957650 POTBXDGNXANNAR-UHFFFAOYSA-N 439.338 5.331 0 40 IKAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@]21/C=C/c1ccccc1Cl 15222443 LOYSAVMNKRHERW-HPEPBICTSA-N 428.963 5.890 0 40 IKAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2ccc(C)c(C)c2)cc1 15413245 LFTHMJANVMMQIJ-VWLOTQADSA-N 430.573 5.455 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4ncn23)CCCC5)cc1 15829675 OFTKOYYVXFSQOE-UHFFFAOYSA-N 437.594 5.072 0 40 IKAB CCCCCOc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(OCCCCC)cc2)cc1 15905882 HPKSGVLDXMGMEW-CLJLJLNGSA-N 444.568 5.981 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Br)c1O 15947465 GIFWDTAGWMIFMU-XLFHBGCDSA-N 437.359 5.169 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)c2=S)cc1 16769629 XXPOTRFRNTUJOC-UHFFFAOYSA-N 448.979 5.979 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)CSc2ccc(Cl)cc2)cc1 19632997 WLEUUAZWRCBEPL-UHFFFAOYSA-N 440.952 5.237 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 19644364 HLWPAENAJUDIMU-VZUCSPMQSA-N 446.378 5.094 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)[C@H]2CC=CCC2)CC1 19700085 NNYOJAXCMNGLAI-NRFANRHFSA-N 448.582 5.089 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20460890 PNAHSMZEGGBKSJ-SBUREZEXSA-N 436.939 5.627 0 40 IKAB COc1ccc(CN(C(=O)c2sc3ccccc3c2Cl)c2ccccn2)cc1OC 21786875 QTAMLDOGVYDKRK-UHFFFAOYSA-N 438.936 5.814 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2cccc(C)c2)c2c[nH]c3ccccc23)cc1OC 21789260 MBGPPPJDLCGURR-QFIPXVFZSA-N 428.532 5.446 0 40 IKAB COc1ccc(-c2nc(CN(c3ccccc3)S(=O)(=O)c3ccc(C)cc3)co2)cc1 22841468 DQRSXLHHBCPSBC-UHFFFAOYSA-N 434.517 5.054 0 40 IKAB O=C(c1ccc(OC(F)(F)F)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 25265286 OYQIQFNLJWEUFQ-UHFFFAOYSA-N 440.465 5.133 0 40 IKAB C[C@H](O)c1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 28580575 RSRHYDYREIIZKG-AWEZNQCLSA-N 429.442 5.076 0 40 IKAB O=C(Nc1cc(-c2nc3cnccc3o2)ccc1Cl)c1ccc(-c2ccccc2)cc1 32089112 HJFUPKPDYHBEAT-UHFFFAOYSA-N 425.875 6.463 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CNc2ccc(Cl)cc2NC(=O)c2ccco2)cc1 32932741 MXJIUJPMONYALA-UHFFFAOYSA-N 425.916 5.533 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(=C/c1ccccc1)c1ccccc1 33398213 NTSDKPCCMUBVHT-HKOYGPOVSA-N 437.926 6.750 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)c(C(F)(F)F)c2)S/C1=C/c1cccc([N+](=O)[O-])c1 35647743 HHXOZYWJFMCMJY-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc2ccccc12 36664689 IHIYGFWTDDAXCT-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OCC 44900220 DTKQRRYMCJHWIZ-FQEVSTJZSA-N 444.575 5.538 0 40 IKAB CCC(C)(C)C1CCC2(CC1)S[C@H](C)C(=O)N2c1ccc(OCc2ccccc2)cc1 49947098 PVVZWJPVEYKMNH-UNYPOBEMSA-N 437.649 7.057 0 40 IKAB O=C(Nc1ccc(=O)n(Cc2ccccc2Cl)c1)c1c[nH]cc1-c1ccc(Cl)s1 64027204 ATNXIGIOZWYHKD-UHFFFAOYSA-N 444.343 5.512 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72215066 JBPHZLYIBAVFRA-IBGZPJMESA-N 433.593 6.085 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1Cc1ccc(F)cc1 106689427 XCPNGKSUCHAIDV-OYKKKHCWSA-N 442.515 6.065 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 108831187 PGBAWKOSYNMYFQ-RZQQEMMASA-N 446.580 5.181 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)c1ccc(Cl)cc1 139670099 OKGDXKIFTYOHAD-FRKPEAEDSA-N 426.708 5.566 0 40 IKAB CC[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223023832 HAJGISJXOFNWRT-OAQYLSRUSA-N 432.427 5.829 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223264039 MXQVJCGOXXCURC-YIXXDRMTSA-N 442.603 5.174 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223436393 PHXDQGVTTVNPTN-LOSJGSFVSA-N 441.556 5.523 0 40 IKAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493747 SKGDXBFZTBNCOK-MHZLTWQESA-N 446.566 5.301 0 40 IKAB CN(Cc1cccc2ccccc12)C(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 224080213 OIDFRXPKVLMREP-UHFFFAOYSA-N 448.519 5.052 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(C)cc1 224114177 RGSZVGKNBDRUSQ-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 224121358 ABGTUSOLYJCNEG-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)c1 224133782 BSOOXWJEQYHIHW-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cc(C)cc(C)c1C 224278405 UBOTZDZJRZJYIS-UHFFFAOYSA-N 443.465 6.471 0 40 IKAB COc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1COc1cc(C)cc(C)c1C 224281363 DRVZDLFBGSEZCI-UHFFFAOYSA-N 444.575 5.162 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccc(Cl)cc1 224501599 BCSRXFRDNCTRBF-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cccc(OC)c1 224588672 LHORUFKYQOUEET-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc(C(=O)OCCCC)cc2)ccc1OCC 224732159 GOPWUATYFBEJOL-UHFFFAOYSA-N 427.541 5.611 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224841213 YTYUFDBPSFEIDQ-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCC3)c2)N1CCCNc1ccccc1 225058962 AKZJRWSUHPGHMH-RPBOFIJWSA-N 445.636 5.473 0 40 IKAB Cc1ccccc1CSCCNC(=S)Nc1ccc(Br)c(Cl)c1 225361570 COORIKAXTPBVPS-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB Cc1ccc(SCCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225588928 XOSCEQQSNFSKFH-UHFFFAOYSA-N 427.639 5.090 0 40 IKAB S=C(NCc1nc(-c2cccc(Cl)c2)no1)Nc1ccc(OC2CCCC2)cc1 225833764 LKJIYXHIVNRGRF-UHFFFAOYSA-N 428.945 5.198 0 40 IKAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCC3)n2)C1 226008575 USZUZAGFCNNDAA-KRWDZBQOSA-N 425.602 5.124 0 40 IKAB O=C(CCc1ccc(Cl)c(C(F)(F)F)c1)N1CC[C@@H](Oc2cccc3cccnc23)C1 240067704 RZHCODHUOMWQBU-QGZVFWFLSA-N 448.872 5.520 0 40 IKAB CO[C@@H]1CCC[C@@H](C(=O)N2CCC[C@H](Oc3nc(C(C)C)nc4sc(C)c(C)c34)C2)C1 248200989 VUOUDCPITFNXCY-QRVBRYPASA-N 445.629 5.007 0 40 IKAB O=C(Nc1cccc(Cl)c1)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 253562951 DWLFOMOFCITKAK-NAVOZUGXSA-N 431.919 5.733 0 40 IKAB COc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccccc1Cl 408572396 GRLCGIJCVGZKAR-OAHLLOKOSA-N 426.365 5.025 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408641728 MIUXICINRHYTCN-IBGZPJMESA-N 430.504 5.178 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(Cl)c2)c1 408697893 MIRFMOCCRKMKSR-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408748651 BONLIQDRRXLZHR-AFHBHXEDSA-N 436.533 5.039 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccccc1-c1ccccc1 409052463 HTXIWFSFKNEDSC-UHFFFAOYSA-N 438.577 7.458 0 40 IKAB Cc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(C)c1-c1ccc(Br)cc1 409193557 GNYBPUBTPRFESR-FLFQWRMESA-N 443.410 5.863 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cc4ccccc4[nH]3)CC2)C1 643573482 GEKCKAMNPYRDCG-UHFFFAOYSA-N 445.607 5.128 0 40 IKAB C[C@@H](NC(=O)c1cc(C(C)(C)C)nn1Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1 2037845420 CTXAQUVHJDAKHU-CQSZACIVSA-N 448.369 6.166 0 40 IKAB Nc1c(C(=O)Nc2ccc(Br)cc2F)sc2nc(-c3ccncc3)ccc12 661154 CPFMWSVNIVLLIQ-UHFFFAOYSA-N 443.301 5.094 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc2ccccc12 867631 OSLNNWRLLOWKKV-QGZVFWFLSA-N 440.528 5.800 0 40 IKAB COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2Sc2ccccc2Cl)cc1 1385369 NVYUREZYBMBFSN-UHFFFAOYSA-N 441.862 5.504 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)c(Cl)c4)nc3cc2C)cc1 2221375 FKZKXDHTPKLBJO-UHFFFAOYSA-N 436.899 5.042 0 40 IKAB CCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2256508 GPWFSKARSUJVRR-UHFFFAOYSA-N 430.617 6.289 0 40 IKAB CCCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2329343 GEWBQVSZXPCNCM-UHFFFAOYSA-N 437.952 6.305 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 2690340 FBQLAHLANKNVDB-UHFFFAOYSA-N 437.499 5.340 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(Cl)cc4Cl)c3n2)cc1 2770343 JCUSTICSRQBTDT-UHFFFAOYSA-N 447.272 6.201 0 40 IKAB CC(C)N(C(=S)Oc1ccc(C(=O)Nc2ccc(Br)cc2)cc1)C(C)C 3112253 NEPFAOCMTBOLAG-UHFFFAOYSA-N 435.387 5.484 0 40 IKAB Cc1ccc([C@@H](CC(=O)c2ccc(Br)cc2)Nc2cccc(Cl)c2)cc1 3168667 FOGLSFBLUZLLJS-OAQYLSRUSA-N 428.757 6.837 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c(Br)c1 3317112 IPHICBYHYMLKBM-UHFFFAOYSA-N 438.730 5.421 0 40 IKAB COc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(C)cc3)c(=O)[nH]c2c1 6245311 FGCMOBIHFDSEEB-UHFFFAOYSA-N 443.572 5.244 0 40 IKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1 8445453 TUSGTDYZJWDGQB-RUZDIDTESA-N 437.391 8.253 0 40 IKAB Cc1cc(C)c(C)c(Cn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1C 8753246 RDTDRSUTUCSQQQ-NRFANRHFSA-N 441.550 5.978 0 40 IKAB Nc1c(C(=O)Nc2nc3ccccc3s2)sc2nc(-c3ccc(F)cc3F)ccc12 8783375 FQFVMLGUQWUDPS-UHFFFAOYSA-N 438.484 5.686 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3C(=O)c2ccc(Br)cc2)cc1 8809420 ZSHJBMJNDPORCZ-XUZZJYLKSA-N 447.332 5.510 0 40 IKAB CCN(CC)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)c(C)c1 8832288 ALKYPUDROVKEGA-UHFFFAOYSA-N 443.802 6.436 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c(Cl)c1 9046362 MABCNGAYVJTSEX-RBBKRZOGSA-N 429.734 6.889 0 40 IKAB COc1cc(CN(C)C(=O)/C=C/c2nc3ccccc3o2)ccc1OCc1ccccc1 9592590 UWKURGXWADEDGB-CCEZHUSRSA-N 428.488 5.087 0 40 IKAB O=C(N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl)c1c(F)cccc1F 9607617 HTLZVASIFHJPGX-IBGZPJMESA-N 425.822 5.188 0 40 IKAB COc1cc(NC(=O)Nc2ccc(Cl)cc2)c(C(=O)c2ccccc2Cl)cc1OC 9906267 NEKZJCISRRMQCA-UHFFFAOYSA-N 445.302 5.886 0 40 IKAB COc1ccc(-c2c(C)c3cc(OCC(=O)c4ccc(Cl)cc4)ccc3oc2=O)cc1 11866226 MKCXRVBMWKBMRX-UHFFFAOYSA-N 434.875 5.692 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)CCN2CCCCC2)sc(C)c1-c1ccc(Cl)cc1 12599404 ONQHJWCLRMENAA-UHFFFAOYSA-N 434.989 5.368 0 40 IKAB Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 12651120 FNHPUOQHZAUOJA-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB Cc1cccc(OCc2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 12673886 CVXUHQRCYMSYJS-JOCHJYFZSA-N 449.507 5.568 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1nccnc1-c1nc2ccccc2s1 12757865 NTPMHCAGCBRQNO-UHFFFAOYSA-N 434.830 5.678 0 40 IKAB Cc1ccc(N(C(=O)CCc2nc(-c3ccco3)no2)c2nc3ccccc3s2)cc1F 12791133 GONZDAFEFPAWSU-UHFFFAOYSA-N 448.479 5.684 0 40 IKAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N(C)CC(=O)Nc1ccccc1Cl 12814236 ALJUUBYQTJKKKW-LBPRGKRZSA-N 438.837 5.040 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cn2ccccc2n1 13073973 OIZXSRGWDKAMHV-UHFFFAOYSA-N 425.897 5.145 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccccc2)nc2ccccc12 13372399 YYMRXBYLLKFYJU-UHFFFAOYSA-N 426.825 6.826 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1F)N(C(=O)Cc1cccs1)c1ccccc1 13498210 PJBLCIMBELYGMF-DEOSSOPVSA-N 436.552 5.263 0 40 IKAB Cc1cc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)nc2ccccc12 13524025 SHGGKAQMLLHBSJ-OAQYLSRUSA-N 426.585 6.253 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c1 13671185 WVEYNUAZJZVWMK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCCn1c(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs/c1=N\c1ccccc1 13769442 IJQKCGKLGKMUDH-VHXPQNKSSA-N 441.622 5.034 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)c1 13805051 OGHNAMYTDRGTPQ-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB O=C(NCCCSc1ccc(F)cc1)c1cn(Cc2ccccc2)nc1-c1cccnc1 14085800 NKHSTWVWALLKQZ-UHFFFAOYSA-N 446.551 5.045 0 40 IKAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1-c1nc2ccccc2s1 15322681 DNPGIMOEVDMJIC-UHFFFAOYSA-N 429.501 5.290 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2nc3c(s2)CN(Cc2ccccc2)CC3)cc1 15880223 KNLVMHZIUQHORO-UHFFFAOYSA-N 435.593 5.523 0 40 IKAB Nc1c(Br)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Br 16383258 ZLYNSKNUVOPBQX-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H]1CCCN(C(=O)c2ccc(OC)c3ccccc23)C1 16884246 UQFDMUXYOONNOJ-FQEVSTJZSA-N 430.548 5.210 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 17095944 OSRYQJBLUSKNLI-SFHVURJKSA-N 428.532 6.643 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 17100963 FXVWPXKNRIDFEM-UHFFFAOYSA-N 436.964 6.758 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(Br)c1 17101040 KGFZCLAJOHVKID-RMKNXTFCSA-N 437.120 6.668 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N[C@H](c1ccccc1)c1cccc(F)c1 18045695 HOFKOZBBHXEODO-WMPKNSHKSA-N 428.482 6.143 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3[nH]c4ccc(C)cc4c3-c3cccnc3)C2)o1 19220281 YHIQHOLMQAGTEU-LJQANCHMSA-N 429.520 5.298 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20494846 IVHJEULMHYJXQN-XMMPIXPASA-N 431.919 7.082 0 40 IKAB O=C(C1CCOCC1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 23271485 YOLHTUWUQRHQIC-UHFFFAOYSA-N 447.387 6.077 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SC/C=C/c4ccccc4)ncnc3[C@H]2C2=C1CCC2 26464474 PWVPWAURTPDLKF-QPVULVGDSA-N 433.646 6.923 0 40 IKAB Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 26852087 WTDXSHNXEDCIFK-IRXDYDNUSA-N 433.343 5.027 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 33574937 QUUCFTOGEOTTDA-UHFFFAOYSA-N 447.918 6.401 0 40 IKAB CCCN(C(=O)c1ccc(F)cc1F)c1cccc(NC(=O)c2ccc(F)cc2F)c1 40150681 DBJUKKSFYXAQET-UHFFFAOYSA-N 430.401 5.552 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 44846808 ILDJQQMKDMYRND-HZKFARACSA-N 439.599 7.104 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364482 CBIQJSNQVNZDNM-QFIPXVFZSA-N 434.495 5.076 0 40 IKAB CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 57774852 PTWPLXVMNNTQFN-GMAHTHKFSA-N 428.020 5.773 0 40 IKAB O=c1c2sccc2nc(SCc2cccc(C(F)(F)F)c2)n1CCc1ccccc1 71327600 VXHZEIOEXOGIFZ-UHFFFAOYSA-N 446.519 6.012 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72353866 YAACUEIDVBRMTC-HXUWFJFHSA-N 439.481 5.414 0 40 IKAB CCN(C(=O)Nc1cc(C(=O)NC2CC2)ccc1C)[C@@H](c1ccccc1)c1ccc(F)cc1 95454912 BCRUPRKQSASHOI-VWLOTQADSA-N 445.538 5.670 0 40 IKAB CC(C)c1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 96444123 UXUHKBAGZLSJRR-HXUWFJFHSA-N 430.548 6.596 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102190352 MHPVRNIEPWMZQJ-XHIHJMKYSA-N 444.604 5.239 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccncc2)s1 102727633 UETCPJUTMOAIOM-PXNSSMCTSA-N 426.339 5.456 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 108227234 OPWFKCIQMPHFKD-UHFFFAOYSA-N 432.564 5.894 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@H]2C 118913588 KEOLCBLQBIWDBI-ICIAEEIVSA-N 446.672 5.155 0 40 IKAB CC(=O)O[C@@H](C)[C@@]1(O)CC[C@H]2[C@@H]3CC[C@]4(C)C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914984 WPHICUIXBCASRI-RMGMVHMUSA-N 434.617 5.034 0 40 IKAB Cc1cc(C)c(C)c(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 216474249 VSJKELIBOYXFED-UHFFFAOYSA-N 429.560 6.158 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220687144 WYSBMGMKWZCQHN-GOSISDBHSA-N 443.396 5.300 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(I)cc2)cc1C(C)C 223274193 FVKSOIDHIBHWSC-CQSZACIVSA-N 437.321 5.223 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223432047 CRDBEFCZWZRHNY-UHFFFAOYSA-N 435.568 5.503 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223606694 IMOOJEZLGXKNMO-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@H](C)C(=O)NC1CCCC1 223785378 AGBSYHXDJMZGOL-JOCHJYFZSA-N 434.624 5.527 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1OC 224577436 UHZJXCBBBIDJJP-UHFFFAOYSA-N 429.875 5.718 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 224621468 QRDCNSSPXGDZHJ-RUZDIDTESA-N 438.612 5.077 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224846250 OSHZJRTVPJAXCN-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cc(Br)ccc1Cl 225069433 JRYIUVCCWZLLFC-UHFFFAOYSA-N 443.728 5.285 0 40 IKAB CC(C)Oc1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225342619 IKQUPMJIHKCXNI-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225490192 CUFBCLWSPFIGHW-NZQKXSOJSA-N 438.612 5.085 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 225581168 QCRYSJUBKQDFRO-WMZHIEFXSA-N 429.004 5.303 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225696217 OPLKKICZTYAUML-ZRZAMGCNSA-N 446.676 5.849 0 40 IKAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 225911099 UHAJYWMXWKZCCQ-GDBMZVCRSA-N 425.787 5.736 0 40 IKAB Nc1ccc(NC(=O)/C=C/c2ccc(-c3ccc(F)c(Cl)c3)o2)c(Br)c1 227148359 WQGBEUUEPHKWRG-XBXARRHUSA-N 435.680 5.736 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C(C)(C)C)CC1 257232865 GMTARXLKOUSKAW-UHFFFAOYSA-N 438.587 5.215 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2)c1OCc1ccc(Cl)c(Cl)c1 408573697 JWOPOSNKFYNLPO-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CC(=O)Nc1cccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408620968 NEFRWVKWOSZOBX-UHFFFAOYSA-N 431.879 5.040 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2cccc(C)c2)cc1 408698390 NGDGXFABPNHLIQ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1sc2nc(-c3ccccc3OCc3ccc(Br)cc3)nc(O)c2c1C 408733860 BLKGENBLQYQKHT-UHFFFAOYSA-N 441.350 6.022 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1 409111872 CTUMSSKHWTYZAM-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)cc(Br)c1OCc1ccccc1 409132733 LNXZMJRLFLASBN-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@@H]21)c1ccccc1 409371048 FMUIQNIANCYZIK-YHBROIRLSA-N 434.333 5.153 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccccc4C(F)(F)F)c23)C1 912305 VMKVGSBYEPUAAK-LLVKDONJSA-N 437.512 5.566 0 40 IKAB COC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OCc2ccccc2C)c(OC)c1 956393 MWORUIYUZJFUJW-FYWRMAATSA-N 431.488 5.021 0 40 IKAB Cc1ccc2c(SCC(=O)NCCC3=CCCCC3)nc(-c3ccc(F)cc3)nc2c1 1367716 VTNGRJOWPJUSKH-UHFFFAOYSA-N 435.568 5.843 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(I)cc1 1403710 AOQHJVMRNBQXED-UHFFFAOYSA-N 440.240 5.352 0 40 IKAB COc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 2182415 OUOIJYYPBATRGE-OAHLLOKOSA-N 442.625 6.145 0 40 IKAB COc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2249142 IIGQRHGMKPKIEP-FGZHOGPDSA-N 448.935 5.214 0 40 IKAB C[C@@H]1CCc2sc3nc(SCc4ccccc4)n(Cc4ccccc4)c(=O)c3c2C1 2259047 GQAJGFFCPQKMRD-QGZVFWFLSA-N 432.614 5.923 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 2451631 XSJRJBXQHQZTDR-UHFFFAOYSA-N 449.407 5.817 0 40 IKAB C[C@H](Sc1ccccc1)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583049 VJOTZFRQJMLKED-HJPURHCSSA-N 433.529 5.159 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccc(C)cc3)nnc2-c2cccnc2)cc1 2621515 CAGAAIWNRCEFOP-UHFFFAOYSA-N 432.549 5.208 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1c(F)cccc1F 3133081 XWPBPSAZLMKSPR-KRWDZBQOSA-N 448.513 5.844 0 40 IKAB C[C@@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3278566 QWAZMVZSRJQFFQ-SNVBAGLBSA-N 438.694 5.690 0 40 IKAB Cc1csc(S[C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)n1 3297460 BVKVICPKYNBMGX-INIZCTEOSA-N 442.915 6.596 0 40 IKAB COC(=O)[C@H](OC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1)c1ccccc1 3353958 JDWGIOXYHBZJQG-LJQANCHMSA-N 440.908 5.120 0 40 IKAB CCc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 3368339 WQEQOWSYTILFID-UHFFFAOYSA-N 449.528 5.461 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c1 4218040 SCFOKQDYXCYKJB-UHFFFAOYSA-N 425.623 6.041 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(F)cc3)cs2)cc1 6075340 HYVULNFXGZHXEB-UHFFFAOYSA-N 444.575 7.094 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3F)C(=O)O2)cc1 8431604 BRKIGTJMTYKDEX-KQWNVCNZSA-N 429.491 6.047 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1-c1cccnc1 8727892 IGHHOCBJPFBAJF-HTAPYJJXSA-N 432.593 5.555 0 40 IKAB Cc1ccccc1S(=O)(=O)Nc1cc2c3c(oc2c2ccccc12)CC[C@@H](C(C)(C)C)C3 8765747 DGHYPXGPGFJVLX-GOSISDBHSA-N 447.600 6.846 0 40 IKAB COc1ccc(CCn2c(-c3ccc(F)cc3)cs/c2=N\c2ccccc2)cc1OC 8770365 YZRPBCXLXWLQQA-RFBIWTDZSA-N 434.536 5.848 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)nc12 8831099 QPJZZZYRNJSVDW-UHFFFAOYSA-N 447.585 5.619 0 40 IKAB Cc1ccc(-c2nnc(SCc3csc(CC(=O)Nc4ccccc4C)n3)n2C)cc1 8939119 NHLQDCHBLBIGQV-UHFFFAOYSA-N 449.605 5.029 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccccc3OC)c(O)c2)cc1 9186368 YTMYDUUNOAXRBI-UHFFFAOYSA-N 425.488 5.329 0 40 IKAB biogenic O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 9190313 QQBWSKSYHBZGFA-NTCAYCPXSA-N 440.886 7.060 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(F)cc3)=NN12 9300024 UCCDIGWNGSSVDF-SIKLNZKXSA-N 445.332 5.417 0 40 IKAB O=S(=O)(Nc1ccc(Oc2ccc(Cl)cc2)cc1)c1cc(Cl)ccc1Cl 9371579 XLLSXXMYHLSGPE-UHFFFAOYSA-N 428.724 6.240 0 40 IKAB COc1ccc([C@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 9444038 MTLJANHVHZZEGO-HXUWFJFHSA-N 448.573 5.103 0 40 IKAB CC[C@H]1CCc2sc(C(=O)OCc3nnc(-c4c(-c5ccccc5)noc4C)o3)cc2C1 9454596 QUFVKBRRYUQWGS-HNNXBMFYSA-N 449.532 5.633 0 40 IKAB CCCn1c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)nnc1-c1cccc(C)c1 9461953 NIESRYGYRRACQR-CQSZACIVSA-N 432.952 5.575 0 40 IKAB CCOc1ccccc1C(=O)N(CC)c1nc(-c2ccc(Br)cc2)cs1 9606794 QNOLFMOQUHNFRN-UHFFFAOYSA-N 431.355 5.638 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)Nc2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 9614638 CHFKHBOVQCBCLZ-XMMPIXPASA-N 442.519 5.835 0 40 IKAB FC(F)(F)c1cc(-c2ccc(OCc3ccccc3)cc2)nc2cc(-c3ccccc3)nn12 9846041 VQBXMYBSWCWVJG-UHFFFAOYSA-N 445.444 6.661 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 9908776 KSLROEYHNDFZCI-NRFANRHFSA-N 432.549 5.472 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1 9971348 UTSAQGPYWGMZJF-UHFFFAOYSA-N 426.310 5.354 0 40 IKAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c(C)c1 10059200 YVDLDBCPHDZICR-MHZLTWQESA-N 447.962 5.315 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccc(I)cc3)o2)cc1 10475552 TUGYVLUHTZRMCG-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(C)cc4s3)n2)c1 11914530 PNDLEABQAPGWFR-UHFFFAOYSA-N 440.981 5.901 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2c(c1)OCCO2 12377000 DRGSFJBTKWLOCE-UHFFFAOYSA-N 443.528 5.041 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)cc2c1 12706668 KVDWIWMEBIBGRK-UHFFFAOYSA-N 437.971 6.111 0 40 IKAB C[C@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(Cl)cc1 12739529 UNAUDTFDRASUOL-LBPRGKRZSA-N 430.360 5.809 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 12823342 LHINXXLQTMBKPB-UHFFFAOYSA-N 447.362 6.526 0 40 IKAB CCOc1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)cc1 13025612 BSDGHGDVDHTSRL-JOCHJYFZSA-N 438.549 5.187 0 40 IKAB COc1ccc(-c2nc3c(c(S[C@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 13514066 BHIGDCMBXCVBEA-MRXNPFEDSA-N 449.576 5.123 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccc(F)cc2)cn1Cc1ccccc1 13568331 RQFRCGIYYQCYMZ-IBGZPJMESA-N 445.563 6.165 0 40 IKAB C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(C(C)(C)C)cc1 13648598 DPGZFXNIHFLPGK-GOSISDBHSA-N 438.036 7.421 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2Cl)cc1 13672504 RNIDRFMTBSNKOI-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB COc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 13759645 TXBYRYOKBQVBOM-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB CN(C)c1nc2ccccc2cc1CN(Cc1ccncc1)C1CC(C)(C)NC(C)(C)C1 13992710 ZDYPEHUEOWYEDW-UHFFFAOYSA-N 431.628 5.007 0 40 IKAB Cc1ccc(Cn2nc(C)c(/C=C/C(=O)OCc3cc(-c4ccccc4)on3)c2C)cc1 14640634 NRNXRHNWXCBFFY-BUHFOSPRSA-N 427.504 5.268 0 40 IKAB O=C(CSc1ccccc1C(=O)NCCc1ccc(Cl)cc1)NCC1CCCCC1 15617507 ZZSGAMNSXUBVKC-UHFFFAOYSA-N 445.028 5.101 0 40 IKAB COc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5ncccc5o4)c3)o2)cc1Cl 16226911 NFZUFGMSKRPGRA-UHFFFAOYSA-N 445.862 6.064 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 17044796 YUVMXIVYAMLOLR-UHFFFAOYSA-N 448.162 6.387 0 40 IKAB CCc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17099427 YLXXDLVIQXTGIF-UHFFFAOYSA-N 435.332 5.648 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2s1 19643689 RSGHCMRJLRDRQN-UHFFFAOYSA-N 445.544 5.866 0 40 IKAB O=C(c1nccc2ccccc12)N1CCO[C@H](c2ccc(-c3cccc(Cl)c3)cn2)C1 19692608 CKMDSCVLBUNVKS-QHCPKHFHSA-N 429.907 5.164 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 20150984 AKCZKRYTWZDGCS-JLHYYAGUSA-N 433.891 6.313 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 20455115 UUZMQVYZKRNUPL-UHFFFAOYSA-N 442.559 5.849 0 40 IKAB C[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 25424773 NQXCIMKMLRBXAC-XMGGNUPJSA-N 446.572 5.341 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccc(F)cc2)c1C 26770858 KAISQDHSPDASKX-XMMPIXPASA-N 430.548 6.958 0 40 IKAB CC[C@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 36617083 CBFUFUNAJNWOFI-VIFPVBQESA-N 445.413 5.712 0 40 IKAB CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)Nc1ccc(Cl)c(Cl)c1 37408028 SCRJTXOZZNNOOC-UHFFFAOYSA-N 433.295 5.059 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 38299872 NIJKPJNXBCARQP-VEVYEIKRSA-N 427.717 7.533 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2cccc(Cl)c2)cc1 44087302 KRWQJXTXVDQTGO-UHFFFAOYSA-N 425.985 5.606 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)N(c2cccc(N3CCCC3)c2)C2CCCCCC2)cc1 72290488 JHTKABRSYLWAJN-UHFFFAOYSA-N 440.609 5.060 0 40 IKAB CN1[C@@H]2CC[C@@H]1CC(NCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)C2 100925497 ZQTWIVCZRWGKNL-IAGOWNOFSA-N 447.526 5.050 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 102767586 UNPWUJZCWFCHDA-XPWALMASSA-N 432.907 5.008 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 106703862 FVFJYLLZPYAWPM-UNOMPAQXSA-N 446.366 5.783 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958802 IQEFWZFCLBGLQZ-GDLZYMKVSA-N 438.615 5.949 0 40 IKAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118931351 GAQBBTSXSYYOIK-JWFGUYJLSA-N 432.733 8.097 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c(Br)c1 218867079 VILCRXFSLTUYQU-GOSISDBHSA-N 432.358 5.117 0 40 IKAB C[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc2c(c1)CCCC2 222956117 XESGBXQDMYWYGS-INIZCTEOSA-N 438.365 5.737 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223486422 MYUJKHCNCPQMPR-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223563522 CBHRNXUIPQYRPE-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 223651687 PRBKWSCDKAMTSZ-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1 223942742 WHJXGOPIBBYQRM-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224161206 IDXBVXHTOYFWCD-RPWUZVMVSA-N 443.597 6.311 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc(Cl)cc1 224480356 FLHQDDMRMRMZCU-XZOQPEGZSA-N 437.012 6.219 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224664376 DNXINLAGRLLJKJ-GOSISDBHSA-N 433.017 5.156 0 40 IKAB Cc1cccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224721316 YEDMLIKQHYJXMT-QFIPXVFZSA-N 436.596 5.020 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 225129916 FPKXBKMRBWEUIL-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225312218 ATRFTGCXYZXBBX-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225340759 CGWUVHIADOKYHQ-IBGZPJMESA-N 427.573 5.552 0 40 IKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 225582763 BPTFAKHFHINAGL-UHFFFAOYSA-N 438.351 5.096 0 40 IKAB CCCSc1nnc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)s1 225705440 WUBBAQWCAZBCON-UHFFFAOYSA-N 445.441 5.198 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cnc3ccccc3c2)CC1 257229403 FXYVTSDGCJYXCA-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB O=C(Cc1ccc(Cl)cc1)N[C@H]1C[C@@H](c2ccc(F)c(Cl)c2)O[C@H]2CCCC[C@H]12 257260997 LFJBJSXWUAEVMU-MNAPGUCWSA-N 436.354 5.880 0 40 IKAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 257338581 YYBKRACEQWLYOW-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1cccc(C)c1C 408561031 VTEQHYRJWPUSQJ-UHFFFAOYSA-N 430.577 5.390 0 40 IKAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Cl)c2)N1 408919410 XMOMEIDMXDHXOF-LHHJGKSTSA-N 432.090 5.060 0 40 IKAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)Nc1cccc2ccccc12 408977863 KICHSQRDQWIZJO-UHFFFAOYSA-N 444.498 6.417 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1c1ccccc1Cl 409122678 ATVPSLHBAVJIKD-APSNUPSMSA-N 433.714 5.825 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2Cl)n1C 409159635 OHXZATAZPUGJHQ-OAHLLOKOSA-N 444.988 5.463 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccc(-c4cnc5ccccc5n4)cc3)cc2)c1 409171926 DTQBTDLPRUKRED-UHFFFAOYSA-N 446.506 6.403 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1C 409383129 ZMXBADAEYCJIAY-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 624060482 GEXOSTZYCRTRMU-GFCCVEGCSA-N 431.414 5.305 0 40 IKAB CC(C)c1ccc(CN2CCC3(CCCCc4ccccc4OC[C@@H](C)NC3=O)CC2)cc1 643566674 HKHPHRBVSDFXAP-HSZRJFAPSA-N 448.651 5.702 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccccc1Br 648781 AVUPMPTVGRRPOL-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C 649321 YSMLEOFERNPKLD-UHFFFAOYSA-N 444.004 5.220 0 40 IKAB Cc1sc(NC(=O)c2cc3cc(Br)ccc3oc2=O)nc1-c1ccccc1 845464 GAFFDOFYNFLXEA-UHFFFAOYSA-N 441.306 5.240 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)NC3CCCCC3)cc2c1 875279 YNOSCRQIRCFGEH-UHFFFAOYSA-N 437.584 5.185 0 40 IKAB CCOc1cc(NC(=S)Nc2ccccc2)c(OCC)cc1NC(=O)c1cccs1 929369 MSKNWSBFJQQUCG-UHFFFAOYSA-N 441.578 5.607 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc(F)cc1 955559 XOKXQVICQKFUDP-UHFFFAOYSA-N 429.929 5.882 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc(C)c(C)c23)cc1 1377441 MMZWTXDAMUCXSD-UHFFFAOYSA-N 440.594 5.265 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccc(OC)cc4)ncnc32)cc1 1447754 VIAXBTCNWOOGPK-UHFFFAOYSA-N 436.515 6.238 0 40 IKAB O=C(OC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 1688529 ARUBUBJNDDZSTJ-ZVBBVAIHSA-N 441.571 5.051 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 1796392 SCGVTJINARBNCS-UHFFFAOYSA-N 442.743 5.866 0 40 IKAB CCc1ccc(N2COc3c(cc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C)C2)cc1 2112904 UJMXAAIDDZDNOF-UHFFFAOYSA-N 427.500 5.696 0 40 IKAB biogenic CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc(-c2ccccc2)sc1N 2181032 XREIFVNBYKDILM-UHFFFAOYSA-N 426.998 6.221 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C(C)C)ccc2C)cc1 2200296 UZFRSQNXYAQSLS-UHFFFAOYSA-N 442.559 5.973 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(OC)cc3)c-1cn2Cc1cccc(F)c1 2692204 MTOQDWDFXRIYEP-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 2714619 CHUZCOWCCRCZOO-UHFFFAOYSA-N 440.934 6.362 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Br)c(C)c3)sc2c1 3251340 XFCQJEAWGSIBKG-UHFFFAOYSA-N 437.384 5.497 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2ncnc3ccccc23)c2ccccc2)cc1Cl 3294867 KMOVLGCKSKDROI-OAQYLSRUSA-N 435.936 5.764 0 40 IKAB COc1ccc(/C=C/C(=O)N(c2ccc(F)cc2)c2nc3ccccc3s2)c(OC)c1 3309228 ZVBQBZJWAUSHRC-RIYZIHGNSA-N 434.492 5.831 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)c(Cl)c1 3432078 JYBJGNPVJMZDRN-UHFFFAOYSA-N 449.963 5.387 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655457 NFJXFUHQQLOTRQ-HNNXBMFYSA-N 433.435 5.218 0 40 IKAB C[C@H]1C(=O)CC[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(CO)CC[C@]4(C)[C@H]3CC[C@@]21C 4104812 YPWQSKQSNNTXOL-TWWFCBCGSA-N 442.728 7.429 0 40 IKAB biogenic,in-vitro CCOc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4)=NN3C(=O)c3ccco3)cc2c1 4199635 GUJZBPFQXRHHDK-QFIPXVFZSA-N 445.906 5.871 0 40 IKAB CCCCCCN(CCCCCC)C[C@H](O)c1ccc(Br)c2ccccc12 4416110 URXZYOIAWUNNLJ-DEOSSOPVSA-N 434.462 7.098 0 40 IKAB CCCCCC(=O)OCCCC(CCCOC(=O)CCCCC)OC(=O)CCCCC 4684188 HQMCSUYSGYYPRP-UHFFFAOYSA-N 442.637 6.286 0 40 IKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 6474867 DSOWAZRCAUHVOV-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C12CC3CC(CC(C3)C1)C2 8433129 HQCICEAVASDSKV-UHFFFAOYSA-N 430.577 5.259 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5nc(N)sc5C[C@]4(C)[C@@H]3CC[C@]12C 8616515 LTSUMDUBQDQHJC-SJKNLDGCSA-N 442.757 7.761 0 40 IKAB C[C@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc23)C1 8765742 BSZQPAYTTZRKDN-AWEZNQCLSA-N 425.937 6.165 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](Nc2ccccc2)c2cccnc2)cc1 9190787 CHXUUZWXXVSHNQ-XYFQYJLHSA-N 449.535 6.211 0 40 IKAB Cc1cc(C)n(-c2ccc(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cc2)n1 9255126 UGHUWZZOADDENR-UHFFFAOYSA-N 428.464 5.433 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)cc2C)cc1OC 9272291 VOMYVBJASKGZBX-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 9310336 QTXBJDPCBHSZTO-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB COc1ccc2nc(O)c(CN(C(=O)c3cccc(Cl)c3)c3ccc(C)cc3C)cc2c1 9431096 XWVNZGRECUVSHT-UHFFFAOYSA-N 446.934 6.066 0 40 IKAB Cc1cc(C)nc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccccc2OCc2ccccc2)n1 9485852 DCOOVNKFTGZMCV-OAQYLSRUSA-N 439.519 5.290 0 40 IKAB COc1ccc(CN(CCc2c[nH]c3ccc(OC)cc23)C(=O)Nc2ccccc2)cc1 10059080 JOCDOKGRQATWGL-UHFFFAOYSA-N 429.520 5.462 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1cccc(F)c1 11757667 GRZAFQJREDFOIE-UHFFFAOYSA-N 429.904 5.188 0 40 IKAB O=C(NCc1cccs1)C1(Cc2ccccc2-c2ccc(F)c(F)c2)CCOCC1 12231684 LYNLAQVBSQZDMP-UHFFFAOYSA-N 427.516 5.349 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1OC 12898940 WCOAAFWJNYIBGV-UHFFFAOYSA-N 447.354 5.622 0 40 IKAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(c1)C(=O)N(c1ccc(Cl)cc1)C2=O 13110215 MXSXOEAJGHLCHT-HXUWFJFHSA-N 448.931 5.108 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(NC[C@H]4CCCO4)s3)cs2)cc1 13128713 SWKYGCDKKPGNTO-CQSZACIVSA-N 425.004 5.198 0 40 IKAB CCOC(=O)c1sc2nc(C)cc(C)c2c1NC(=O)COc1ccc(Cl)cc1C 13137883 HJDDLZKJOHSZPU-UHFFFAOYSA-N 432.929 5.069 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 13512141 XMXBWQIQUBPSMO-NHYWBVRUSA-N 446.400 6.281 0 40 IKAB COc1ccc(-c2nc(Nc3c(Cl)cccc3Cl)sc2-c2ccccc2)cc1 13739209 UNLXTWJDLIMWLY-UHFFFAOYSA-N 427.356 7.536 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccc(F)cc1 14081551 GXEFDJIZOQAVBZ-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc(Cl)c1OC 15016765 CKEJMSPMXUACNS-VGSWGCGISA-N 426.925 5.661 0 40 IKAB Cc1ccc(C)c(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 15833705 RMUSNYOLWLVDPI-UHFFFAOYSA-N 431.536 5.378 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(CCO)Cc4ccccc4)ncnc32)cc1 16768319 GCFSLZJSFDGIEV-UHFFFAOYSA-N 434.543 5.395 0 40 IKAB CCCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)c1 17096001 IGJCCECFHKUHLP-UHFFFAOYSA-N 428.536 5.893 0 40 IKAB C[C@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@@]1(C)N1CCCC1)OCO3 20386532 USEVJXUDAHBZHA-JQOQJDEVSA-N 430.342 5.150 0 40 IKAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(C(C)C)cc2)C4)c1 20671715 UYHQRJDQVQBAPS-NRFANRHFSA-N 442.588 5.761 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)cc1Cl 20715476 YAPQLHBAVCHXQP-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB c1ccc(CSC2=NC3=C([C@@H](N4CCCCC4)N2)C2(CCCC2)Cc2ccccc23)cc1 26895779 GBBKSFZBENVGGF-AREMUKBSSA-N 443.660 6.219 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)csc2c(=O)n1C 33022351 AZVMYSOFRJOETC-UHFFFAOYSA-N 449.601 5.264 0 40 IKAB CCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 35042180 JYADYPYVCQUONB-KGENOOAVSA-N 445.968 6.154 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Cl)n2)cc1Br 48331510 SSJXLJRZFFBKRY-UHFFFAOYSA-N 441.734 5.697 0 40 IKAB Cc1ccc2c(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)cccc2n1 57316107 ZFHDWWRAZNGITB-UHFFFAOYSA-N 427.529 5.249 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1scc(-c2ccccc2)c1-n1cccc1 64472437 USQQIRSEZITUJN-UHFFFAOYSA-N 436.536 7.250 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cccc(CC)c4)nccn3n2)cc1 67290413 SFOJCXFHOYGBCL-UHFFFAOYSA-N 432.549 5.088 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccc(F)c1 101373524 DBAXYIIMUYORRC-NGOKVRLYSA-N 440.518 6.786 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)c1 102518572 JWIGEAVWLYRBQQ-DNQXCXABSA-N 425.484 5.252 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1OC 102730279 PDBSHOLBDQLWPN-QMHKHESXSA-N 446.503 5.617 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(CNc2ccc(F)cc2)cc1Br 107684671 XVOMQJLSWZZGCC-UHFFFAOYSA-N 443.316 5.526 0 40 IKAB COc1cc(Cl)ccc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215740363 BZLBNEKSEVATJL-SFQUDFHCSA-N 442.302 5.058 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 223028374 QCBPERZIAYXBRT-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)(C)C)cc1 223348774 PQNAQCJCCIYWCY-JOCHJYFZSA-N 445.003 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223718268 IJAVCMJRRRXNRR-OAQYLSRUSA-N 449.422 5.301 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)cc1Cl 224136141 RHHBVOBNSRSCHL-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224240419 YSZWOTSDODGBEC-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224324326 KDMDLOFIMXAYKV-RBUKOAKNSA-N 444.423 5.645 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225160011 HSBSNJNJWBMZSV-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225172466 JIRJDUJXGAVQDQ-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 225197792 KQXDWNFPDIIIFJ-OALUTQOASA-N 445.003 5.174 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 225655711 GPHXAVUXBFTNNS-HNNXBMFYSA-N 427.566 5.088 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257281074 ONMJXFPPRPYKMD-GOSISDBHSA-N 444.988 5.483 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 257349131 LQYOPAXXSAPFCV-GMKOTDTLSA-N 442.728 8.061 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc3c(c2)OCO3)cc1)Sc1nc2ccccc2o1 408632961 IBTXBNWBPAYLCV-UUYOSTAYSA-N 447.468 5.353 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1C 408664260 SNBYQNJQOCVYOG-FPMFRTRJSA-N 448.349 5.401 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)ccc1Br 408671051 SDUBHUHNCTUNEI-UHFFFAOYSA-N 440.293 5.345 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408701644 BLUGNKZSTVPQNZ-UHFFFAOYSA-N 449.016 5.282 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccccc1F 409074761 VJXYBNJCRQYQMO-ZDLGFXPLSA-N 431.250 5.485 0 40 IKAB CCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3cccc(C)c3)c3ccccc23)C1=O 409248040 JPRJCHSCCBKFKI-FYJGNVAPSA-N 433.533 5.035 0 40 IKAB CC(C)(C)c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409330133 JGRPJVDCYDDWFC-LJAQVGFWSA-N 446.594 7.350 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 409377224 FVYREPCQUBLLJO-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB O=C1C[C@H](c2ccccc2)[C@H]2[C@@H](NCc3ccncc3)CCC[C@H]2N1Cc1ccc(F)cc1 585261780 JZLVCSBHUYCUCO-ASUDMDKOSA-N 443.566 5.064 0 40 IKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585265152 HNRDBUBLBNNGBG-UHFFFAOYSA-N 425.912 6.201 0 40 IKAB CC(C)c1nc(Cc2ccc(Cl)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265600 UNPQJOXYDPVNPA-UHFFFAOYSA-N 444.756 6.577 0 40 IKAB CCCN1CCCCCCCN(C(=O)C2CC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583394 SJTGABGFQRPWDD-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB Cc1nccn1[C@H]1C[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]2C[C@@H]1Oc1ccccc1F 2332242511 CTLYECUNVKETRI-OXHIVJRSSA-N 433.518 5.239 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)cc1 713116 RZLIYXYWBZPXDL-UHFFFAOYSA-N 447.585 5.266 0 40 IKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 874513 FWJOOUQRXXRMGE-UHFFFAOYSA-N 431.536 5.375 0 40 IKAB COc1ccc(COc2ccc(/C=C/S(=O)(=O)Nc3ccc(C)cc3)cc2OC)cc1 1402019 MXLIYSMWQVQVNG-CCEZHUSRSA-N 439.533 5.004 0 40 IKAB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OCc4ccccc4)ccc3c2=O)c1 1769094 WARRNBYMWYPDII-UHFFFAOYSA-N 440.417 6.800 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)nc12 2074064 POLOEMCTZGZORI-UHFFFAOYSA-N 433.964 6.243 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1 2145072 YWHVQRCXKTYUOA-UHFFFAOYSA-N 432.523 6.828 0 40 IKAB CCCCCCNC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2236401 LPIJSQNAPGKTDO-UHFFFAOYSA-N 435.959 5.179 0 40 IKAB CCCCCOc1ccc(C(=O)OCc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 2642998 KNFQRWGLTMODIF-UHFFFAOYSA-N 448.544 5.578 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)c1 2684605 WWBLLFLRQIKMQO-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(F)cc23)cc1 2693147 NFKPAQMXBQJBMX-UHFFFAOYSA-N 433.504 5.363 0 40 IKAB COc1ccc2ccccc2c1[C@H]1NC(=O)N(Cc2ccccc2)C(C)=C1C(=O)OC(C)C 3102024 QGJWMXIVHLJMKM-VWLOTQADSA-N 444.531 5.341 0 40 IKAB O=C(N[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F 3146996 FCJGZSWHPVMAOC-AREMUKBSSA-N 438.502 5.203 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@H]3CCCO3)cs2)cc1 3444305 FGJDQOCOTOSVLH-LJQANCHMSA-N 449.601 5.300 0 40 IKAB CCCCc1ccc(OC(=O)C2CCC(C(=O)Oc3ccc(CCCC)cc3)CC2)cc1 3848670 RTSNPPUHXORZLL-UHFFFAOYSA-N 436.592 6.689 0 40 IKAB biogenic Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)c1 8722597 AOXKHPGDZQLGOY-LJAQVGFWSA-N 435.523 5.464 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nccn2-c2cccc(C)c2)cs1 8725217 CRMYQEAUEQFSIV-UHFFFAOYSA-N 434.590 5.923 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCCOc1ccccc1Cl)C1CCCCC1 8756364 PDVPAADQFOJKLB-UHFFFAOYSA-N 439.987 5.398 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)nc2cc1Cl 8831128 WEXFKIAHXFZSRU-UHFFFAOYSA-N 449.985 5.120 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8874898 YTSAAUWGZRTHMJ-WLRWDXFRSA-N 432.467 6.006 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 9056985 CDRYBMQLSDZUPY-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1 9250206 KYQQIYIVKYNJFN-UHFFFAOYSA-N 435.549 5.080 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2F)s1)c1ccc(OC(F)(F)F)cc1 9283343 YUGVVNZDKCDZSO-UHFFFAOYSA-N 429.420 5.120 0 40 IKAB C=Cc1ccc(COc2ccc(-c3[nH]nc(C)c3Oc3ccc(OC)cc3)c(O)c2)cc1 9410093 DXCFHINDPRBMED-UHFFFAOYSA-N 428.488 6.114 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2C(F)(F)F)cc1 9414317 SARRXGGNABHKAU-UHFFFAOYSA-N 438.405 6.265 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9494865 ISJHRKJMZOCADQ-UHFFFAOYSA-N 428.847 5.736 0 40 IKAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1cc(C(F)(F)F)ccc1Cl 9663384 IPZHVDYSRIPUAI-UHFFFAOYSA-N 442.846 5.083 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2ccc(Br)cc23)cc1 9675944 SPUSLCDQOQAUNB-UHFFFAOYSA-N 442.360 6.928 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CCc3c(C)nc4c(cnn4C(C)C)c3C)c2)cs1 9690108 TWKYPYRGYDWVTH-UHFFFAOYSA-N 433.581 5.632 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N[C@@H](C)c3ccc4c(c3)OCCO4)cccc2c1=O 9868146 FOBARJWHZAJWIA-KRWDZBQOSA-N 441.483 5.031 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 9975609 UZRPBUFCDXIEDV-GOSISDBHSA-N 433.430 5.110 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2Cl)cc1Cl 10119209 JOBXMFHUUIJBPI-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB O=S(=O)(c1ccccc1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1Cl 11852390 ZGWMDKZASXPQCO-OAQYLSRUSA-N 431.344 5.533 0 40 IKAB CCc1ccc2c(c1)[C@]1(Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN31)C(=O)N2 11990391 CYJJHXZMCITFHC-RDGATRHJSA-N 429.907 5.251 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2ccccc2C(F)(F)F)N1 12523853 KAARZALRQAOJMZ-OAQYLSRUSA-N 434.421 5.504 0 40 IKAB Cc1ccc([C@H](C(=O)NCc2cccs2)N(C(=O)c2cccs2)C2CCCC2)cc1 12635792 JJWDKONGVOKRAL-JOCHJYFZSA-N 438.618 5.561 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nnc(-c2cccs2)o1 12697611 TZKPXENVNCTLOF-VIFPVBQESA-N 434.344 5.199 0 40 IKAB Cc1cc2cc(CN(CCc3ccccc3C)C(=O)NC3CCCCC3)c(=O)[nH]c2cc1C 12704728 NLRPZEDADAUPLM-UHFFFAOYSA-N 445.607 5.540 0 40 IKAB O=C(Nc1ccccc1I)[C@H](Sc1ccccc1)c1ccccc1 12766968 NCWVXXNZDUJUMH-LJQANCHMSA-N 445.325 5.763 0 40 IKAB O=C(CSc1nncn1CCc1cccs1)N1c2ccccc2CCc2ccccc21 12812065 WVZRYDZSGCZXEQ-UHFFFAOYSA-N 446.601 5.138 0 40 IKAB Cc1sc2nc(SCc3noc(-c4ccco4)n3)n(C3CCCC3)c(=O)c2c1C 12906982 OAPHWPHHRGPKJV-UHFFFAOYSA-N 428.539 5.125 0 40 IKAB CN(CC(=O)Nc1cc(Cl)ccc1Oc1ccccc1)Cc1ccc(Cl)c(Cl)c1 13058821 HIXJVIJVRBFZFX-UHFFFAOYSA-N 449.765 6.510 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2ncc(-c3ccccc3)o2)n1C1CC1 13116894 WWQFYFMWVBIYLF-UHFFFAOYSA-N 438.940 5.793 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3c(C)c(C)ccc3cc2CC)ccc1C 13503579 GMTCRQAHOFRPMW-UHFFFAOYSA-N 435.593 5.802 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@H]1C 13592294 SHRGQDIZFCHWSK-CJFMBICVSA-N 428.532 5.375 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(C)c(C)c3)n2)cc1OC 13960787 WQGJDBLBYMWOGJ-UHFFFAOYSA-N 444.531 5.858 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 14405099 QRJDXPIQVSEQNX-UHFFFAOYSA-N 440.503 5.002 0 40 IKAB O=C(Nc1nccs1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 15835354 FZFIZYXHSBURKM-UHFFFAOYSA-N 436.587 5.629 0 40 IKAB CSCC[C@H](NC(=O)CC(c1ccccc1)c1ccccc1)c1nc2ccccc2[nH]1 16645703 MQONJBBTRMPNOU-DEOSSOPVSA-N 429.589 5.696 0 40 IKAB CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1 16751927 YDFLLDSKJSUJLK-DEOSSOPVSA-N 433.548 6.097 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c(Cl)c3)c2C(N)=O)C1 17094341 RBEUSPLPBQFHNE-NSHDSACASA-N 425.381 5.557 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)c1 17097561 HTXIAWFJKGJFLY-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 17113646 MZONZLZQNRLPBV-UHFFFAOYSA-N 432.549 5.259 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1Cc1ccccc1F 20036278 WMPFVQNPDFJQJY-YDZHTSKRSA-N 443.453 5.061 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1Cl 20152336 GNDZZXZISRTSCL-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB Cc1ccc([C@@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2)cc1 20493676 KOCFVGOCEUJXSP-QHCPKHFHSA-N 430.400 6.441 0 40 IKAB Cc1cc(NC(=O)[C@H](C)SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)no1 21356713 UHJSONUJALJVSC-AWEZNQCLSA-N 445.928 5.128 0 40 IKAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3o2)c1 21579540 AHQHZZZBPGSXEL-UHFFFAOYSA-N 445.544 5.754 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc(C(C)(C)C)cc1 21595906 QBIMGDKMRRKFIL-UHFFFAOYSA-N 435.549 5.265 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1ccc(Cl)cc1C(F)(F)F 22246062 QJTGQSJVLSUPEV-UHFFFAOYSA-N 429.826 6.259 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 27528390 KFBGAZDIDRRYQQ-UHFFFAOYSA-N 448.632 5.080 0 40 IKAB Cc1ccc(Sc2nc3ccccc3cc2/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 27572998 LTBJALCYCDCQDQ-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2ccccc2F)CC1 29488398 OYBZPTNNBYVSHH-UHFFFAOYSA-N 427.479 5.110 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(OC)cc4)o3)cs2)cc1 32636474 BVQHZKXGGJWOML-UHFFFAOYSA-N 425.535 5.560 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 32679726 GOOXNALIBIUURT-RUZDIDTESA-N 443.572 6.309 0 40 IKAB O=C1/C(=C\c2ccc(OCc3ccccc3Cl)cc2)SC(=S)N1Cc1ccco1 35039488 NXLIJUDXMGZMGC-UDWIEESQSA-N 441.961 5.913 0 40 IKAB O=Cc1ccc(OC(=O)[C@@H]2C[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)cc1 35185432 WYZONEKYHPKPHC-FZZIBODNSA-N 448.944 5.256 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 35832803 HIFMEZWRVWHWBI-JSNMRZPZSA-N 444.457 5.157 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36354536 JHZGSKUWSPEUID-DEOSSOPVSA-N 428.507 5.199 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)cnc2c1-c1cccc(Cl)c1 38829819 VTHQHXLRXNJGLI-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1)N1CCc2ccccc21 44087213 AVLOMKDWTPUQQC-UHFFFAOYSA-N 445.975 5.874 0 40 IKAB Cc1ccc(C(=O)CSC2=NN=C(c3ccccc3)Cn3c2cc2sccc23)cc1 57721740 WRIFFBVNLMDXIQ-UHFFFAOYSA-N 429.570 5.792 0 40 IKAB CN(C)C(=O)c1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)c1 58210250 KXLXZJJBEVCVCK-UHFFFAOYSA-N 429.451 5.102 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(C(C)(C)C)cc2)cc1 59483713 RPCOJEYKZAIMNT-XMMPIXPASA-N 428.532 5.932 0 40 IKAB O=C(Nc1ccc(Br)cn1)c1cccc(NC(=O)c2ccc(Cl)s2)c1 65568029 XWJJBQRZNJONIM-UHFFFAOYSA-N 436.718 5.064 0 40 IKAB Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1C 67259393 GCBQXXLKNHTKIT-UHFFFAOYSA-N 430.529 5.083 0 40 IKAB O=C(O)[C@@H](SCc1ccc(OC(c2ccccc2)c2ccccc2)cc1)c1ccccc1 73633224 FQOOEBRVIGLHBW-MHZLTWQESA-N 440.564 6.914 0 40 IKAB CC(C)(C)c1noc(-c2ccccc2C(=O)Nc2cc3c(cc2Cl)OCCCO3)n1 84325149 WUFGFBLAMQEUKU-UHFFFAOYSA-N 427.888 5.101 0 40 IKAB Cc1cc(=O)oc2cc(OC(=O)c3ccc(CSc4ccc(Cl)cc4)cc3)ccc12 89568503 LWZHKBDKLUVQPM-UHFFFAOYSA-N 436.916 6.266 0 40 IKAB CN(Cc1nc(C(F)(F)F)no1)C(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 95450929 XVLVMYQLQITWPS-UHFFFAOYSA-N 429.320 5.046 0 40 IKAB COc1cccc(NC(=O)c2ccc3onc(-c4csc(-c5ccccc5)n4)c3c2)c1 96154481 VSZKNHRDSAVMJT-UHFFFAOYSA-N 427.485 5.879 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 106400401 NIFSJXVZMQZQRL-QGNCETNGSA-N 437.539 5.718 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(F)cc3)o2)C(=O)N1Cc1ccc(F)cc1Cl 106745862 LCESFFIQVXDQFB-GRSHGNNSSA-N 431.847 6.115 0 40 IKAB Cc1ccc(N(C)C(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1C 108896189 PVGUWKSHDFTYNN-UHFFFAOYSA-N 438.487 6.435 0 40 IKAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 108925460 ZPQPGASTDBPMFY-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB CCc1ccc(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccc(C)cc2)cc1 197715019 SXXHGSPRTYGPGU-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)ccc1OC 215095333 FSDWAGGDKHZFIH-WOJGMQOQSA-N 448.338 5.093 0 40 IKAB Cc1cccc(CSCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219838142 HDZBOKXWVUADIV-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 222879164 IFRRSOLFHAUPFQ-FQEVSTJZSA-N 426.409 5.763 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 222921148 HTWVEPUCGNGQQF-SFHVURJKSA-N 429.582 5.507 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 223140629 MWHFQEMJXQCSPL-RUZDIDTESA-N 448.994 5.415 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 223239946 WIVMQQSQVOKLKM-HXUWFJFHSA-N 444.616 5.009 0 40 IKAB COc1ccccc1OCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 223395232 LDTMIUAHXMABSL-UHFFFAOYSA-N 427.953 5.450 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223848293 ZCQHOQWYFOMVIK-KKSFZXQISA-N 435.395 5.258 0 40 IKAB Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223872443 SBALEFZNZKORSW-DHIUTWEWSA-N 431.492 5.363 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(N4CCCCC4)nc3)CCCCC2)cc1 224007905 PQIDTAINAMMJNV-UHFFFAOYSA-N 426.605 5.400 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3OC)c2)cc1Cl 224243549 SXDDMLFWXOUPSA-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1C 224259920 GIILFJAXNVQRPR-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 224459563 KWDXZPMYNRAYQF-PKTZIBPZSA-N 445.979 5.157 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224665701 QBFVWLZEUVPWFY-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1 224906015 LVWYCCSIRJMBBJ-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC2CCCCC2)cc1 225092990 IPNCBNNOFRWFOP-MHZLTWQESA-N 448.651 5.746 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 225614070 BJWLIFULEHGXTP-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB S=C(NCCCc1cccc2ccccc12)Nc1ccc(Br)c(Cl)c1 225808821 WVZZAQYBIGGFBW-UHFFFAOYSA-N 433.802 6.175 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)C2CCCCC2)CC1 257201305 AHCHIDCZEKLJOM-UHFFFAOYSA-N 446.635 5.482 0 40 IKAB CC(C)C(=O)N1CCC[C@H]2[C@@H]1C[C@@](C)(Cc1ccccc1)N2C(=O)c1ccccc1Cl 257237445 HGMPNAZQWKSFRA-JCYRPKCISA-N 438.999 5.203 0 40 IKAB O=C(O)c1sc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1 257251145 JPORZRRKSNUFRC-IBGZPJMESA-N 447.387 6.076 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257269985 MSHFAQKQJSZYAG-QFIPXVFZSA-N 437.543 5.310 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 257350518 YAXRKAKOIWXVHL-HVFNFBPXSA-N 440.712 7.982 0 40 IKAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408623079 OUVNFKMXLIQFTE-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408707890 MKYTXHZCDOQTLB-NRFANRHFSA-N 432.951 5.031 0 40 IKAB S=C(Oc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)N1CCCCC1 408735877 XTZALQKJKXAXGM-UHFFFAOYSA-N 425.557 6.113 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408979873 SUGBCJFBEYTWKR-UHFFFAOYSA-N 429.483 6.026 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1 409065370 LAWDBOPGSDSZGW-HZHRSRAPSA-N 433.891 5.662 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3ccccc3)cc2)C(=O)N1CCCc1ccccc1 409136388 SSXFDCRMFRTLKS-PTGBLXJZSA-N 431.582 6.507 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)cc1 409411454 XBXDISYTBNTSQC-XNTDXEJSSA-N 440.952 5.410 0 40 IKAB CCOC[C@H](O)CSc1ncc(-c2ccc(Cl)cc2)n1-c1ccc(OCC)cc1 1616033651 RWVXJEIBILVOJT-IBGZPJMESA-N 432.973 5.081 0 40 IKAB COc1ccc(NC(=O)Cc2c(Sc3ccccc3)c3cc(OC)ccc3n2C)cc1 712878 AWGLNZYQGWUTJE-UHFFFAOYSA-N 432.545 5.528 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=S)Nc3ccccc3CC)cc2c1 894870 WCPPPNQTIJYIMG-JOCHJYFZSA-N 449.620 5.031 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)c1 937500 UKOJJZMUDBUFPB-UHFFFAOYSA-N 433.558 5.600 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2)sc2c(OC)c(Br)ccc12 978606 NKUGZUVWRPMVQY-UHFFFAOYSA-N 434.311 5.101 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1sc2ccccc2c1Cl 1033120 WLUKOINDOZLBTF-UHFFFAOYSA-N 440.874 5.662 0 40 IKAB Cc1ccc(Oc2coc3cc(OCc4cccc(Br)c4)ccc3c2=O)cc1 1781895 ZGOHPGGHPGEELI-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(Cl)cc2)sc(C)c1-c1ccccc1 1921962 ORJZMUROHZTVMC-UHFFFAOYSA-N 445.993 6.284 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1OC 2145613 GOCZDCSOXPNPBD-UHFFFAOYSA-N 426.900 5.990 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(-c2nc3ccccc3o2)c1 2285272 ICIVOAGCRDTNDW-UHFFFAOYSA-N 426.516 6.560 0 40 IKAB C[C@@H](NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12)c1ccccc1 2291647 RUXBKXBABPGZEG-OAHLLOKOSA-N 441.922 5.300 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccccc1Br)[C@H](c1ccccc1)C1CCCC1 2322146 CZBDQWZOHJGURP-JWQCQUIFSA-N 448.404 6.629 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1ccccc1Cl 2330954 LVSAGNRHBRHAAB-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2350478 HKHDIUZZOABECJ-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CCCNC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 2401367 ZFQDPICTIPDYOX-UHFFFAOYSA-N 445.994 6.513 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2cccs2)o1)c1ccccc1 2621528 ZHPXFSJEEHNCJV-IBGZPJMESA-N 437.546 5.587 0 40 IKAB aggregator COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)c1 2703536 JNGJTSQUGLNWAL-QHCPKHFHSA-N 445.902 5.243 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2741827 CCMBLNJUIGNMJA-MRXNPFEDSA-N 449.381 7.974 0 40 IKAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccccc1Cl 3260349 JLCJBFAEQIDDOA-UHFFFAOYSA-N 440.693 5.320 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1F 3348469 RMBSUEHFICMZGT-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)s1 3372595 OEHRHFYMIQPEGN-UHFFFAOYSA-N 425.366 5.628 0 40 IKAB COc1ccc(CCC(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1 3409655 JHNUYNUVYRXPGE-RUZDIDTESA-N 441.575 5.123 0 40 IKAB O=C(NCc1ccccc1)c1cc2ccccc2cc1OCc1nnc(-c2cccs2)o1 3444504 OWTFWJBRWFSQJD-UHFFFAOYSA-N 441.512 5.460 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc(C)c1Cl 3655490 BRHSCKHSBURASX-KRWDZBQOSA-N 447.918 6.340 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 6134478 PTIGEORDGJDLIH-IBGZPJMESA-N 429.495 5.143 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc2c1 6197673 CSXFEJGNAZSWOJ-GOSISDBHSA-N 433.621 5.471 0 40 IKAB COc1ccc(/C=C(/CC(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 8685315 GNHKSCNHURGTJZ-RGEXLXHISA-N 448.975 6.205 0 40 IKAB C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 8710435 AFPCIPAIZGJXKC-QGZVFWFLSA-N 432.553 5.161 0 40 IKAB Oc1cccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@](O)(C(F)(F)F)C2)c1 8711551 QWWKCFNIWWKIDG-SFHVURJKSA-N 439.846 5.034 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c(C)c1 8752803 OECWEEUITKDQMP-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB Cc1cc(C)c(C)c(Cn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1C 8753243 RDTDRSUTUCSQQQ-OAQYLSRUSA-N 441.550 5.978 0 40 IKAB c1ccc(-c2c/c(=N/N=c3\cc(-c4ccccc4)oc4ccccc34)c3ccccc3o2)cc1 8896063 GCBVGYFOOUUODF-IEPGDLOPSA-N 440.502 6.930 0 40 IKAB O=c1oc2ccc(Cl)cc2cc1-c1csc(Nc2ccc(Br)cc2)n1 9435176 NTSXUKCUWHGJMX-UHFFFAOYSA-N 433.714 6.076 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1Cl 9499799 BTBHRCSBXGVESS-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3c(c2)CCCC3)sc2c1CC(C)(C)NC2(C)C 9639856 LYVDQFXMHJZGIT-UHFFFAOYSA-N 440.609 5.215 0 40 IKAB O=C(CSc1nncs1)N(Cc1ccc(F)cc1)c1nc(-c2ccccc2)cs1 9781436 YRNUPCSHNVGHEB-UHFFFAOYSA-N 442.566 5.126 0 40 IKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9963843 DYMVSNSIRYRSKL-HKUYNNGSSA-N 449.620 5.118 0 40 IKAB O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccc(F)cc1F 11665514 CUMACNCVIJVOGK-UHFFFAOYSA-N 433.443 5.050 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c(-c2ccc(CNC(=O)Cc3cccc(F)c3)cc2)n1 12220533 CYKMAOACJLJYAN-UHFFFAOYSA-N 440.522 5.327 0 40 IKAB Cc1ccc(-c2n/c(=N\c3cccc(C)c3)sn2-c2cccc(C(F)(F)F)c2)cc1 12274162 FYRKHZOSVDRPGH-HPNDGRJYSA-N 425.479 6.469 0 40 IKAB COc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4cc(Cl)ccc4Cl)c3)cn2n1 12441286 JXULEHHXJBGNCA-UHFFFAOYSA-N 447.709 5.617 0 40 IKAB CCC(=O)c1ccc(OCC(=O)N2N=C(c3ccccc3)C[C@@H]2c2ccc(OC)cc2)cc1 12528918 POQMNLJGLXZCBQ-RUZDIDTESA-N 442.515 5.045 0 40 IKAB Cc1occc1-c1nnc(SCc2nnc(-c3ccccc3Cl)o2)n1-c1ccccc1 12538369 QBVFOECSWFZIEL-UHFFFAOYSA-N 449.923 5.831 0 40 IKAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1-c1ncc(-c2ccccc2)o1 12586012 UYXLDLFAEQMZOK-JOCHJYFZSA-N 427.504 5.169 0 40 IKAB Cc1nc(N2CCC(C(=O)Nc3ccccc3)CC2)c2c(-c3ccccc3)csc2n1 12680148 MUECQURJEJOBED-UHFFFAOYSA-N 428.561 5.522 0 40 IKAB CC1=C(C(=O)O[C@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 13303459 LCACYSALAAALAR-OUPRXKBMSA-N 434.536 5.015 0 40 IKAB CC(=O)Nc1c(Br)cc(Br)cc1C(=O)Nc1ccc(C)c(C)c1 13957491 SGEVVGPESHALTI-UHFFFAOYSA-N 440.135 5.039 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc2c(c1)CCCC2 14180303 XJRVIFHGRIAAAJ-OAHLLOKOSA-N 438.622 5.190 0 40 IKAB Cc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2Cc2ccco2)cc1 16788779 QFRXXTNTVSICMO-UHFFFAOYSA-N 440.366 5.950 0 40 IKAB COc1ccc(-n2c(SCc3c(F)cccc3F)nnc2-c2cccc(OC)c2)cc1 16789134 GFOXYMCNOPRFKB-UHFFFAOYSA-N 439.487 5.522 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)oc2cc1C 17095174 ZBABXAXDYIBNRN-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 17101012 HCIUEABHMIXWSP-UHFFFAOYSA-N 437.008 7.162 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2F)cc1 19644256 GBLLHXMLHIFDMZ-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)Cc4ccc(OC)c(F)c4)CC3)c2)cc1 19691141 ZEUVXFCVNHMRBZ-UHFFFAOYSA-N 448.538 5.162 0 40 IKAB Cc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c(C)c1 19819715 RIMVBJGPANUCLN-UHFFFAOYSA-N 433.602 5.285 0 40 IKAB Cc1cc(NC(=O)c2cccc(Br)c2)ccc1NC(=O)c1cc2ccccc2o1 19860421 MSLIFSFWTVCWSO-UHFFFAOYSA-N 449.304 6.008 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 20047062 VHMDUHCZEUDFHG-HXUWFJFHSA-N 444.575 6.259 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 21407474 GBERMSYFCKDADZ-ZDUSSCGKSA-N 433.733 5.568 0 40 IKAB COc1ccc(CNCc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 22076789 LSCXFTGQURGJGB-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(Cl)cc2)cc1 22276098 MNIXXESMRZAAAA-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@@H](c1ccc(C(C)C)cc1)c1cccs1)c1cccs1 22542847 HRGKYWXXRGBIRP-CVDCTZTESA-N 426.607 5.406 0 40 IKAB CCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(C)c3)no2)cc1 23126885 LFYYMOHVLWAHGG-UHFFFAOYSA-N 439.562 5.161 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(C)c1 23542752 YHFGVIAPFNHUHE-UHFFFAOYSA-N 426.545 5.553 0 40 IKAB CC1=NN(c2ccc(Cl)cc2)C(=O)[C@@]12Cc1cc(C(F)(F)F)ccc1N1CCCC[C@@H]12 25184839 JKFFPBPVDGNIPG-IRLDBZIGSA-N 447.888 5.683 0 40 IKAB CCCN(c1ccc2sc(C(=O)NC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209225 BSPBDLWIUJUOMN-UHFFFAOYSA-N 444.622 5.343 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2cc1Cl 28289749 RZTYPKYFQICHFG-HXUWFJFHSA-N 440.971 5.085 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OC(=O)c1cccnc1 28795732 BUCSLMJLPZORSB-RUZDIDTESA-N 448.482 5.299 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1Cl 32106638 OIZDQKMXECVEMS-OAHLLOKOSA-N 431.279 5.037 0 40 IKAB c1ccc(C[C@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc2)cc1 32740425 NBVZMKCIRQMPLU-NDEPHWFRSA-N 430.555 6.008 0 40 IKAB COc1cccc(-c2nc(-c3cccc(OCC(=O)Nc4ccccc4Cl)c3)no2)c1 33327383 OTBFZHGKZHDIDS-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 38545665 OLBNGLBVDWDALE-GVNBAPTHSA-N 441.568 5.380 0 40 IKAB biogenic CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 44884575 VMHLSSXTESAJIZ-OAQYLSRUSA-N 444.383 6.734 0 40 IKAB CCC[C@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1 58343300 NIRXETWBRUKCHW-QFIPXVFZSA-N 449.526 5.223 0 40 IKAB Cc1ccc(Nc2nc(C)c(C(=O)NC3CCN(Cc4ccccc4)CC3)s2)c(C)c1 71326665 QZFKDPJPTUGMPC-UHFFFAOYSA-N 434.609 5.206 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230057 PBHYEDMQUNYDPD-NRFANRHFSA-N 436.722 5.746 0 40 IKAB O=C(c1cc(-c2cccs2)on1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77197940 IAUMBGFQTWFVLO-CYBMUJFWSA-N 440.525 5.081 0 40 IKAB O=C(N[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1)OCC1c2ccccc2-c2ccccc21 95748958 CGNVYWDHCWJPOR-OAQYLSRUSA-N 441.405 5.370 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccco4)C3=C(O)C2)cc1 100429424 UWZCCBFSICZUSI-HFJWLAOPSA-N 428.488 5.858 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219962941 KQOQSXDDOSMIOI-UHFFFAOYSA-N 444.644 6.506 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 222541979 XDZJJVXMTBCGPR-QHCPKHFHSA-N 445.003 5.174 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223903311 ZKFQDAVHELNBNY-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(Sc2ncccn2)nc1 223994241 IXDZSTYQBJNMJD-UHFFFAOYSA-N 435.622 5.211 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cc(C)cc(C)c1 224193632 ACIXFQJVOXOTSJ-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1C 224274876 UZCPAFFLJGCEMQ-JWQCQUIFSA-N 430.621 6.182 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NCC(C)C 224350224 PXECUJHOXZOLJM-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1 224525260 NZLXCSPIOXMGPX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1 225052892 LGTKCYLIJLZAFG-RJDQKLELSA-N 430.548 5.534 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCC(C)C)c(C(=O)OCC)c1 225844806 KOBSTXWVSFJTOK-UHFFFAOYSA-N 449.632 6.094 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)cc1 225865187 WESBAZBUTLWJEG-UHFFFAOYSA-N 447.526 5.588 0 40 IKAB C[C@H](CCN1CCC(Cc2cccc(-c3ccncc3)c2)(C(N)=O)CC1)c1ccccc1 257257936 KRRVGDGKIWCGOK-JOCHJYFZSA-N 427.592 5.052 0 40 IKAB CC(C)COC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 408527874 FVHYNKZOPAGTFP-WQRHYEAKSA-N 447.597 5.223 0 40 IKAB COc1cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1cccc(F)c1 408556687 KBMHJSRRNLDBTH-HSZRJFAPSA-N 443.927 5.845 0 40 IKAB COc1ccc(CCNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408575958 PAFPCZUTKWPHOR-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 408578158 WGRYMDQSAKXISO-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 408611794 RMFXKDSMGLUDPG-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)cc1 408694968 MZPAHOJRSWWSNS-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)c1 408699188 VHNYYJQVCMNYTR-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(CSCc1cccc(Br)c1)Nc1ccc(OCc2ccccc2)cc1 408869915 SUYMNGWPBLBFIQ-UHFFFAOYSA-N 442.378 5.900 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OCC 409112696 GAVSYKDDEZDLEM-UHFFFAOYSA-N 439.337 5.708 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)cc3Cl)C2=O)c(C)c1 409174345 SNVVZHFRIXVSAM-CAOOACKPSA-N 435.332 5.285 0 40 IKAB O=C(CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)cc1 409176098 HJGHCKGDUMQLRV-XMMPIXPASA-N 439.870 5.365 0 40 IKAB C=C(Nc1nc(-c2c(C)cc(Oc3ccc(OC)cc3)cc2C)cs1)c1ccncc1 584567158 RIHDNDGYTTXMDR-UHFFFAOYSA-N 429.545 6.706 0 40 IKAB CC[C@@H](C)c1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@@H](C)COC 584906192 KVYSAROQHICKLR-AEFFLSMTSA-N 425.598 5.545 0 40 IKAB Cc1cccnc1CN1CCC[C@@H]1c1csc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 585268808 YGSIPSPUDNMPPU-JOCHJYFZSA-N 434.609 5.733 0 40 IKAB Cc1cccc(CN2CCCCCCCN(C(=O)C(C)C)c3ccc(C(=O)O)cc3C2)c1 643582951 APGDVPQBQAGGJS-UHFFFAOYSA-N 436.596 5.649 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)n2C)c(C)c1 687421 OYXIJZYDQZYETM-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccccc2c1=O 717653 LKRAHALRLPBCCS-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccco2)C(=O)c2ccccc2F)CCCC1 792657 NJAIBMMXFQOEBE-UHFFFAOYSA-N 434.511 5.629 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2ccc(C)cc2C)c1C 868935 LETZNLNBVKRQIP-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NC3CCCCC3)cc2c1 884427 BIWQGVAYLNHWER-UHFFFAOYSA-N 425.623 5.107 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccccc3C)n2-c2ccccc2)cc1 892449 YDUYVGLGBLKAES-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)N1CCc2ccccc2C1 1332762 YZLFKYFWPGLUCV-UHFFFAOYSA-N 435.618 5.125 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NC3CCCCC3)cc12 1371661 YVXRIIUMBCEGDH-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)cc1 2342249 CLBNOQXTBLWXTF-HSZRJFAPSA-N 445.902 5.514 0 40 IKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@@H](C)C[C@H](C)C2)sc(C)c1C 2354283 LRFOMTBZDPFEEH-GJZGRUSLSA-N 438.597 5.711 0 40 IKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 2371302 MWFOKAYITOYHQX-HLADLETHSA-N 442.927 6.547 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)C1c2ccccc2Oc2ccccc21 2371668 YSTYPIXNUVPCML-UHFFFAOYSA-N 439.898 6.447 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 2453073 SKYKIWBQHSQJGD-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1cc(C(=O)COC(=O)CCc2nc3ccccc3s2)c(C)n1Cc1cccs1 2617298 GNLVHZCSYBIWKJ-UHFFFAOYSA-N 438.574 5.183 0 40 IKAB O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)Nc1ccccc1Sc1ccccc1 2634361 HBTJQTUPFSOILM-UHFFFAOYSA-N 438.858 5.310 0 40 IKAB Cc1ccc(NC(=O)c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)c(C)c1 2797704 QDXXKEDJIQMDMH-HNNXBMFYSA-N 433.581 5.359 0 40 IKAB O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)C(Cl)(Cl)Cl 3051013 NFYIXISXSRZQGH-UHFFFAOYSA-N 425.562 5.909 0 40 IKAB CC(C)N(C(C)C)[P@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3203957 YJYRVZWCHXRNGE-HSZRJFAPSA-N 439.578 7.085 0 40 IKAB O=C1/C(=C/c2ccc(Cl)c(Cl)c2)NC(=S)N1C(=O)c1ccc(Cl)cc1Cl 3308349 AVSZSJNYIFGNRR-NSIKDUERSA-N 446.142 5.198 0 40 IKAB Cc1ccc(C(=O)O[C@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 3355114 YZWXHVYNBCDIJR-FQEVSTJZSA-N 447.840 6.204 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)/C=C/c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 3433227 SRYSNQHMBMFRHY-BFFNPARHSA-N 443.978 5.849 0 40 IKAB CCc1ccc(OCC(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1 3655628 GPIBBHOQVMNSSI-UHFFFAOYSA-N 429.472 5.252 0 40 IKAB C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 4074029 LPZCCMIISIBREI-TVLDHFOLSA-N 426.729 8.191 0 40 IKAB biogenic O=C(CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)N(c1ccccc1)c1ccccc1 4398458 JYAXAJLENRUMRY-UHFFFAOYSA-N 444.966 5.761 0 40 IKAB Cc1ccc(NC(=O)c2[nH]c3c(c2C)C(=O)C[C@H](c2ccc(C(C)(C)C)cc2)C3)cc1C 4911972 HLERQKOYOVDVKU-HXUWFJFHSA-N 428.576 6.402 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1cccs1 9056532 CRRZWOWEOJZUNT-UHFFFAOYSA-N 436.562 5.550 0 40 IKAB CC1(C)Cc2c(sc3nc(SCCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 9339718 MLACPSFQKCJFBS-UHFFFAOYSA-N 448.613 5.633 0 40 IKAB Cc1cc2nnc(SCC(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)n2c2ccccc12 9373170 MDFMMPVWEQNXRH-ASXFNGKXSA-N 434.609 5.004 0 40 IKAB O=C(Oc1cc(-c2ccc(Br)cc2)c2oc(=O)sc2c1)c1cccs1 9430740 XGPPNYQWYSAUNC-UHFFFAOYSA-N 433.304 5.565 0 40 IKAB Fc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C[C@@H]2CCCO2)cc1 9535595 NGRCSTAPSMPTQR-INIZCTEOSA-N 438.355 5.862 0 40 IKAB COc1ccc2cc([C@@H](C)C(=O)N(C)Cc3cc(Br)ccc3OC)ccc2c1 9590777 ZCWCVDSEVLJDGQ-OAHLLOKOSA-N 442.353 5.382 0 40 IKAB O=C(OCC(=O)N(c1ccccc1)C1CCCCC1)c1ncc(Cl)c(Cl)c1Cl 9642465 XKPCNEPAIKXWEL-UHFFFAOYSA-N 441.742 5.565 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)c1ccccc1 9646585 BBOVYZACHAUERZ-HXUWFJFHSA-N 432.574 5.108 0 40 IKAB CCCn1c(SCC(=O)Nc2cccc(SC)c2)nc2c(oc3ccccc32)c1=O 9751732 HWWZCLCNNQTMKK-UHFFFAOYSA-N 439.562 5.005 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4OC)c3)nc2c1 9892150 MGGYSZJCOLGQLX-UHFFFAOYSA-N 445.544 5.501 0 40 IKAB Cc1ccc(-c2cs/c(=N\C(C)(C)C)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 11617340 BEZVYSJIZMWIIW-LCUIJRPUSA-N 432.593 5.011 0 40 IKAB COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cc(C)ccc2C)cc1O 11866309 SRANRZIGNQKVDK-UHFFFAOYSA-N 443.503 5.428 0 40 IKAB biogenic COc1ccc(Cl)cc1C(=O)Nc1ccc(Nc2cc(OC(C)C)nc(C)n2)cc1 12225681 AXVDJUSRCJVHBB-UHFFFAOYSA-N 426.904 5.230 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 12437322 UFBQPOXZPJEMNZ-UHFFFAOYSA-N 444.644 6.940 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1F 12507626 NLBVVWDJUOJBDY-GOTSBHOMSA-N 431.536 5.298 0 40 IKAB COc1cc(CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc(OC)c1OC 12656438 ZHIVBCDRTHQDMU-UHFFFAOYSA-N 440.536 5.119 0 40 IKAB O=C(CSc1ncnc2sccc12)N1c2ccccc2SC[C@@H]1c1ccccc1 12779832 ZZAWIAFACYUUCR-GOSISDBHSA-N 435.599 5.664 0 40 IKAB Cc1sc2c(c1C)C(c1cccc(Cl)c1)=NCC(=O)N2CC(=O)OC1CCCCC1 12833944 RKDLWMSTNSGCSX-UHFFFAOYSA-N 444.984 5.078 0 40 IKAB S=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878319 DJUDPZHVSNAXEK-UHFFFAOYSA-N 449.432 5.636 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)N1C(=O)c2ccccc2[C@@H]1c1ccc(Cl)cc1 13410319 YQABJZDZFGKJGZ-AUUXCDECSA-N 425.956 6.483 0 40 IKAB biogenic Cc1cccc(CCN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 13496053 IFAXKEYHCAFCRV-VWLOTQADSA-N 446.616 5.542 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)c(C)c1 13499982 DVSSLZKWKRHDHA-UHFFFAOYSA-N 439.610 5.427 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@@H](C)CCc3ccccc3)ccc2c(=O)c1-c1ccccc1 13692132 GANODPIHFPHWAB-IBGZPJMESA-N 441.527 5.285 0 40 IKAB biogenic CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cc(Br)c1OCC 16412055 QOQKDMAJZFUYOG-NTEUORMPSA-N 449.732 5.446 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cccc2cccc(C(=O)O)c12 16476967 XTEAIMTWWIJGBY-UHFFFAOYSA-N 429.859 5.675 0 40 IKAB C[C@H](OC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)C(=O)Nc1c(F)cccc1F 16868571 LIMNHNKKSJZPNH-NSHDSACASA-N 439.336 5.428 0 40 IKAB O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 19400803 RWGULEFLJXTIRU-VWLOTQADSA-N 427.539 5.010 0 40 IKAB O=Cc1cc(Br)c(OCc2c(Cl)cccc2Cl)c(Br)c1 20156223 NPUAAJZAPVOBKM-UHFFFAOYSA-N 438.930 5.910 0 40 IKAB Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1F 20395501 MZQPBFOIKUJYAA-HXUWFJFHSA-N 436.874 5.749 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)cc1C 20459613 YQJSDUDCYRIBDL-GOSISDBHSA-N 440.540 5.043 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)ccc1Br 21595257 CJLYXVOYSHCNNB-UHFFFAOYSA-N 427.136 5.316 0 40 IKAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(Cc4ccccc4)nc3c12 21801677 YQJLVEIDVBVROI-UHFFFAOYSA-N 432.325 5.038 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N(Cc1ccco1)Cc1ccco1 30471715 DEMLTRWTYLFMOW-ZHACJKMWSA-N 439.874 5.401 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3)C2)cc1 30943337 OMJDKHOZDMXBDH-FQEVSTJZSA-N 428.960 5.148 0 40 IKAB Cc1ccc(-c2cc(NC(=O)CSCc3c(C)noc3C)n(-c3ccccc3)n2)cc1 32721581 MGKTZQZOBLBWSX-UHFFFAOYSA-N 432.549 5.324 0 40 IKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 33021994 MCZLUBKSCOJJPG-UHFFFAOYSA-N 442.466 6.067 0 40 IKAB CCOc1ccc(-c2csc3c(=O)n(Cc4ccc(Cl)cc4)cnc23)cc1OCC 44167078 BSRQSEIMBKYAHF-UHFFFAOYSA-N 440.952 5.624 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)c(Br)c1 44837526 ZAPZFSXUEDNYTG-UHFFFAOYSA-N 435.119 5.162 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccc(Oc2ccc(F)cc2)nc1 48286840 AKQDKRQQYNFANV-IBGZPJMESA-N 426.517 5.033 0 40 IKAB COc1ccc(CN2COc3c(cc4c(-c5ccccc5)cc(=O)oc4c3C)C2)cc1OC 55396238 RVLDPCNHOIJISE-UHFFFAOYSA-N 443.499 5.138 0 40 IKAB biogenic COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(NC(=O)c2ccco2)ccc1C 57316121 XSPIZOQQIVWXLV-SOFGYWHQSA-N 445.302 5.808 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3ccc(Cl)cc3)sc2c1 59474757 IILOEHVLUHOGEN-UHFFFAOYSA-N 436.945 6.043 0 40 IKAB CCCc1ccc(-c2nc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)sc2C)cc1 60337082 PVGORAJQMNIDSR-UHFFFAOYSA-N 436.503 6.120 0 40 IKAB COc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc(F)cc2)cc1F 71327580 PFJBDZNXMJPETJ-UHFFFAOYSA-N 430.501 5.085 0 40 IKAB COc1cccc(-c2nc3c(s2)CN(C(=O)[C@@H](C)Cc2ccccc2Cl)CC3)c1 72392034 JGSALPUQEHECAZ-HNNXBMFYSA-N 426.969 5.236 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@@H](c3cccc(C)c3)C2)cc1 89669346 UGNXARGGKRRVOU-LJQANCHMSA-N 439.309 5.351 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 95910067 VKFYBVXBUHHZMW-GSFUUBGPSA-N 442.728 7.141 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccn5)cc34)cs2)cc1 96154489 JDOWZOTWPFGOIU-UHFFFAOYSA-N 426.501 5.252 0 40 IKAB O=C(OCc1cscn1)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 96892350 SHVHUQUYORBDMQ-SXGWCWSVSA-N 442.496 5.264 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cc2ccccc2o1 101189106 BNYOTCHOARCKLS-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 216050822 LPMRKQOPLOUSCD-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCSC2CCCCC2)c(Br)c1 218881069 OGIPQLCFSUJZSI-UHFFFAOYSA-N 428.436 5.308 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 223081162 HQDMMWFLOGILMY-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccco1)NC(=O)c1ccccc1 223205154 STOOSOWXWBQMND-NKFKGCMQSA-N 440.524 5.840 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccn1 223551148 OLKPFSAZFWIUEG-GOTSBHOMSA-N 444.585 5.394 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223816487 FHPVIBCGLJYHSY-RUZDIDTESA-N 440.603 5.605 0 40 IKAB S=C(NCC1(c2ccccc2)CCCCC1)Nc1ccc(N2Cc3ccccc3C2)nc1 223993965 RHUGVPXYYTVODW-UHFFFAOYSA-N 442.632 5.790 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224214411 UKHCQHYZVNVORG-NRFANRHFSA-N 437.539 6.432 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C(C)(C)C 224514878 YHCSFJCBZQGQAG-UHFFFAOYSA-N 443.587 6.160 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224544424 IVCZHUCMKADYNH-UHFFFAOYSA-N 441.786 5.054 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 224614133 JOOWHIQFSJJNCW-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C1CCCC1 224865739 NGDQMKWNSCEEKW-FGZHOGPDSA-N 438.984 5.534 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966017 NDLQEPGYTNVXFX-SFHVURJKSA-N 430.935 6.413 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 225557602 KMHSGXQINKSJIU-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C(=O)OC 225751985 WPCKIQKLJOHPGG-UHFFFAOYSA-N 436.335 5.629 0 40 IKAB Cc1ccccc1-c1noc(CCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)n1 225816919 SRWWXJIBFPYTPM-UHFFFAOYSA-N 445.906 5.501 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 225861049 DJHBAOYBOZUZOX-UHFFFAOYSA-N 437.378 5.743 0 40 IKAB O=C(Nc1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1)C(F)(F)F 226269764 CPSSFIYMNFHXST-UHFFFAOYSA-N 435.199 5.911 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)CC(C)(C)C)CC1 257258617 KUUHJUVEKOYBIY-UHFFFAOYSA-N 434.624 5.338 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 257364922 FDBXCQIAUYDMBI-UQZFQJTFSA-N 430.481 5.487 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)cc1 408571338 BCXLBLXLEITUFS-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB Fc1ccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)cc1Cl 408606619 JEMWETTVLSRFBB-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2cccc(Cl)c2C)cc1 408699933 XLLCIDPXVXMDEG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O 409055090 CIUFJJKYXVUKOR-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409171404 APUODCJHUGQHJH-YQPQRSJBSA-N 436.599 7.359 0 40 IKAB Clc1ccc(COc2ccc(-c3nc4ccccc4s3)cc2Br)cc1 409190466 OBQLNMUSIZYGKK-UHFFFAOYSA-N 430.754 6.958 0 40 IKAB CC(=O)N1CCCCCCN(C(=O)c2ccc(Br)cc2)Cc2ccccc21 2037884974 MTRDAQVZYYOMJL-UHFFFAOYSA-N 429.358 5.018 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)NCCc3ccccc3)C3CCCC3)c(=O)[nH]c2c1 874979 IJSBJKHXYNWPRI-UHFFFAOYSA-N 433.621 5.007 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(C(C)(C)C)cc1 904531 ANMMGFCSPVFYTM-UHFFFAOYSA-N 428.989 5.647 0 40 IKAB Cc1cc(Br)cc2c(C(=O)NCc3ccccc3)cc(-c3cccs3)nc12 993372 CCUNATIRWMTSFX-UHFFFAOYSA-N 437.362 5.964 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)o1 1333615 PXIMOOZAJZVGNI-QHCPKHFHSA-N 440.540 5.164 0 40 IKAB O=C(CN1CCC(c2nc3cc(Cl)ccc3[nH]2)CC1)Nc1cccc(C(F)(F)F)c1 1359087 FTDIUUHZKVNRIT-UHFFFAOYSA-N 436.865 5.053 0 40 IKAB Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1378214 RWPYPJZFMXNAOU-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(OC)ccc3c2Cl)sc2c1CCCC2 1469879 KJAABFHAZDFJDQ-UHFFFAOYSA-N 449.981 5.933 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](NC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl 2026823 GMBPMJRDXIRUGA-OAQYLSRUSA-N 443.330 5.426 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)C)cc2)csc1NC(=O)c1cc2ccccc2o1 2083478 PSQBSSIGMYIUCH-UHFFFAOYSA-N 433.529 6.714 0 40 IKAB COC(=O)c1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)sc2c1CC[C@H](C)C2 2085636 AOFNCDIOWSNZCK-NSHDSACASA-N 444.940 5.529 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2Cl)csc1NC(=O)c1sccc1C 2108760 GQJFABMZAHEBRN-UHFFFAOYSA-N 426.346 6.131 0 40 IKAB Nc1c(C(=O)NC2CCCC2)c2nc3ccccc3nc2n1-c1cc(Cl)cc(Cl)c1 2252738 VPHOTCAFKCIOBZ-UHFFFAOYSA-N 440.334 5.135 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@@H]2CCCC[C@@H]2C)c1 2650316 BPHYUULDZLXTFA-MAUKXSAKSA-N 425.558 5.032 0 40 IKAB Cc1ccc(CSc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 2721741 LILKKOHNSQAFGA-UHFFFAOYSA-N 441.599 6.145 0 40 IKAB Clc1ccc(Cc2nc(NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1 3063759 SSFSKERVXQTMMC-UHFFFAOYSA-N 428.750 6.793 0 40 IKAB CCOC(=O)c1c(-c2ccc3c4c(cccc24)CC3)csc1NC(=O)c1cccc(C)c1 3350312 VUTMZXRELBHZBA-UHFFFAOYSA-N 441.552 6.404 0 40 IKAB CCOc1ccc2oc(C(=O)Nc3nc4ccc(SC(F)F)cc4s3)c(C)c2c1 3351931 LEYJWLXUGODMKM-UHFFFAOYSA-N 434.489 6.317 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@@H](C)Nc3cc(Cl)cc(Cl)c3)ccc21 3359344 MZMJAIHMXPJSHI-CQSZACIVSA-N 426.347 6.560 0 40 IKAB CCOc1ccc(CNCC[C@@]2(c3ccc(C)cc3)CCO[C@H](C(C)C)C2)cc1OC 4073145 CJHMCYLLXMOHLY-RRPNLBNLSA-N 425.613 5.655 0 40 IKAB biogenic CCOC(=O)c1cc(Cc2ccccc2)sc1NC(=S)N1c2ccccc2C[C@@H]1C 5948075 BGPKGZUJVBSTNR-INIZCTEOSA-N 436.602 5.664 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1Cl 6280520 CUUBADKAJCXIGX-UHFFFAOYSA-N 441.000 6.008 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3F)c2c1 6844271 XWELYAVFXFSUDR-UHFFFAOYSA-N 435.499 5.868 0 40 IKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccccc1Cl 8254676 INJPZVFJIKSLHV-UHFFFAOYSA-N 426.000 6.232 0 40 IKAB CCCCOc1ccc(S(=O)(=O)Nc2cccc(-c3cn4ccsc4n3)c2)cc1 8439626 IUKUHUFJCVLPLJ-UHFFFAOYSA-N 427.551 5.043 0 40 IKAB Cc1[nH]c(SCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)nc1Cc1ccccc1 8706434 HOFJGBNOXAKTHQ-HXUWFJFHSA-N 448.617 5.374 0 40 IKAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)NCCCc1ccccc1 8847818 NNQUYEKCVLTZPS-UHFFFAOYSA-N 428.945 5.112 0 40 IKAB Cc1cccc(COc2ccccc2C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1 8883508 CCFWQEZVVCNYJD-UHFFFAOYSA-N 445.302 5.071 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccs1 8923581 XZBMQZXYDJFIBZ-OAQYLSRUSA-N 432.328 5.062 0 40 IKAB COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@@H]2CC(c3ccc4c(c3)OCO4)=NN21 9191946 JEQQFEUEUJJGBJ-YADARESESA-N 434.879 5.320 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@H](C)[C@H]2CC)cc1 9246875 LSVVQGOVNUXOAF-RZLJKOCPSA-N 426.604 7.258 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc(-c2ccccc2)cc1 9343881 YGIQUZUUYAQHRA-UHFFFAOYSA-N 432.479 6.604 0 40 IKAB COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(C)cc2)cc(OC)c1OC 9510849 BPLQYOZTIZIDRD-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(-c2ccccc2)cc1 9631599 OGOPBLXSIKZYQF-UHFFFAOYSA-N 446.547 5.240 0 40 IKAB COc1ccc(CN(Cc2cccs2)C(=O)/C=C/c2ccc3ccccc3n2)cc1OC 9633754 RWBAYZZOSTYLLF-WYMLVPIESA-N 444.556 5.556 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1OC 12555355 VVTMFSPGUZNLGJ-UHFFFAOYSA-N 448.342 5.017 0 40 IKAB CCc1ccc(N(C(=O)C2CCN(C(=O)C(C)(C)C)CC2)c2nc3ccccc3s2)cc1 12740315 DNSYTNLYZJOBEL-UHFFFAOYSA-N 449.620 5.808 0 40 IKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CCC(O)(c2ccc(Cl)cc2)CC1 12865889 SLTOBOOESMQMPQ-SWXWDQRWSA-N 444.015 5.082 0 40 IKAB biogenic O=C(c1cc2sccc2n1Cc1ccccc1)N(Cc1ccccc1)Cc1cccnc1 13083057 LRZQGPRMKDOIMC-UHFFFAOYSA-N 437.568 5.989 0 40 IKAB Fc1cc2c(c(Cn3c(-c4cscn4)nc4ccccc43)c1)O[C@H](c1ccccc1)OC2 13129080 LBRFOELLLLIBJA-RUZDIDTESA-N 443.503 5.955 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccs1 13498351 BPPGTVSEORHZLG-RUZDIDTESA-N 432.589 5.120 0 40 IKAB Cc1cc(C)nc(-n2nc(C)c3c2N=C(O)C[C@@H]3c2ccc(OCc3ccccc3)cc2)n1 13569294 MCMOIBJLUHTGBM-JOCHJYFZSA-N 439.519 5.290 0 40 IKAB O=C(c1ccccc1SC[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14083848 LQLMNKYLIPREDC-MSOLQXFVSA-N 438.618 5.587 0 40 IKAB Cc1cccc(-c2nnc(Sc3nc(CN4CCCC4)nc4sc(C)c(C)c34)o2)c1 14142358 KTEBFUVHDJSYHV-UHFFFAOYSA-N 437.594 5.414 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccccc2S)cc2ccccc2c1Br 14270009 SUWWJZUIZNMMMC-UHFFFAOYSA-N 447.379 5.026 0 40 IKAB COc1ccccc1OCC(=O)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 14822031 CVOLAUONYMEKOQ-LJQANCHMSA-N 434.923 5.157 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)c1 16902550 FKRDAJMCVZUYKZ-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=O)COc4cccc5ccccc45)c3)nc2c1 17100265 ORYDFBQAYXMTCY-UHFFFAOYSA-N 436.511 6.789 0 40 IKAB O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccccc1-c1ccccc1 18184265 SFYBJVMJNMHDPC-UHFFFAOYSA-N 429.545 5.033 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCN(Cc4cccnc4)C3)n2)c1 19294083 XTZUSYHIEFYTNG-OAQYLSRUSA-N 440.526 5.196 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3o2)cc1OC 20411996 WEUCVKCPRLXHNF-LFYBBSHMSA-N 434.879 5.817 0 40 IKAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1NS(=O)(=O)c1ccccc1 20453007 AKNPNBSJNJFZCG-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 20488008 AFPILAFGQVCARA-JOCHJYFZSA-N 442.481 5.365 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccccc3)n2-c2ccccc2C)cc1 22409561 VXZQQHKKOKNOQU-UHFFFAOYSA-N 428.561 5.471 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 22518156 FSDMETHRELUEGK-QHCPKHFHSA-N 431.919 7.082 0 40 IKAB O=C1NCCN1c1cc(Cl)c(Oc2ncc(C(F)(F)F)cc2Cl)c(Cl)c1 22996673 LLTGARGXEODJMD-UHFFFAOYSA-N 426.609 5.383 0 40 IKAB C[C@H](Sc1nnc(-c2ccncc2)o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 25054460 CJGHYOPMEFBUKF-HNNXBMFYSA-N 447.951 6.036 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2cccc(Cl)c2)nc1C 25276420 PKNMFMZEHAFBGR-UHFFFAOYSA-N 442.928 5.467 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@]4(C)CC[C@@H]32)C1 25552581 LALAQRGFSWBMHR-ASBXWIOOSA-N 442.728 8.350 0 40 IKAB Cc1ccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1C 26770831 SBBDVKHHXOYRGZ-AREMUKBSSA-N 440.612 7.436 0 40 IKAB C[C@H](NC(=O)CSCc1csc(-c2ccco2)n1)c1ccc(Cl)cc1Cl 31420702 DWDIZUVSTPVRSF-NSHDSACASA-N 427.378 5.821 0 40 IKAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 35351466 NYJHSSURALDSFU-PPXQLYMYSA-N 446.591 5.970 0 40 IKAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1OC 35644698 DVNKRYDWMOKYOQ-LZYBPNLTSA-N 442.846 5.268 0 40 IKAB COc1cc(OC)cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 44840606 JPELUDQUDOZIJQ-UHFFFAOYSA-N 447.531 5.250 0 40 IKAB Cc1nc(-c2ccc(CN[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)s2)cs1 57270779 INOOXCXZKPYVFV-QFIPXVFZSA-N 437.565 5.789 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)Cc2ccccc2)cc1 57313993 VEAVWBVYFUUQSU-UHFFFAOYSA-N 444.575 5.961 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 57351115 FMOSRRYWKUIXKP-DTQAZKPQSA-N 436.471 5.341 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(-n2cc[nH]c2=S)cc1 58432440 RCTHHRLFTYOTLR-UHFFFAOYSA-N 428.517 5.348 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)cc1 59186153 ZNTMVRLFTWRNIM-UHFFFAOYSA-N 448.010 6.038 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C\CSC[C@H](NC(=O)/C=C\c1ccco1)C(=O)O 83259515 YEWYGZOGAGEKLT-ADKFQMIESA-N 445.625 6.015 0 40 IKAB COc1ccccc1-c1cc(C(=O)NCc2sc(-c3ccccc3Cl)nc2C)[nH]n1 90593272 PXIQKHFCYGTJDH-UHFFFAOYSA-N 438.940 5.101 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5ccc(C)cn5)cc34)cs2)cc1 96154453 IJZAYKMQEFWBAD-UHFFFAOYSA-N 442.500 5.583 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219961017 DCVOYGHOWHOOBT-UHFFFAOYSA-N 440.631 6.736 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 223095196 YKXOWCGZBHWRLD-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)CSCc3ccc(Br)cc3)s2)cc1 223358284 DBSLTHDGIPAGER-UHFFFAOYSA-N 434.384 5.148 0 40 IKAB O=C(Nc1cccc(F)c1)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067279 NVDNUSABNCODLS-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1C(C)(C)C 224169586 UQMJGWULOGDBKB-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 224669403 CVTDMBCTTHTSRQ-OAQYLSRUSA-N 438.637 5.176 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026957 IWISTAHXAXVZNJ-BJKOFHAPSA-N 433.577 5.655 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1nnc(-c2ccc(Cl)cc2)s1 225328322 DFNWCRGWQLEVKW-UHFFFAOYSA-N 428.341 5.523 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCSCc2ccc(F)cc2)ccc1Cl 225616094 LLPYIPDAHBEVIS-UHFFFAOYSA-N 440.993 5.266 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1O[C@H](C)CC 225750837 NVBGXIBXYGRVSN-QGZVFWFLSA-N 443.971 6.145 0 40 IKAB COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@H]2c2ccccc2)cc(OC)c1OC 239339108 LRWSGTAEMDTYPP-UWUFEASWSA-N 443.971 5.467 0 40 IKAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccc(F)cc1)CO2)C1(c2ccc(F)cc2)CCCC1 257251061 JPFWXMFRWFWRCL-HSZRJFAPSA-N 441.518 5.006 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408574307 LPNNHLRNOVJNAL-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(C)c2)nc2sc3c(c2c1=O)CCCC3 408600491 ZWJVTPCPXJIZNW-UHFFFAOYSA-N 448.013 5.049 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cc(C)cc(C)c2)cc1 408627019 XKJIQJRHYALJBU-UHFFFAOYSA-N 442.625 5.036 0 40 IKAB Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2cccc(Cl)c2)C(=O)O)o1 408631320 HLMOVHOXHPUPAZ-MFOYZWKCSA-N 437.304 5.482 0 40 IKAB CCn1c(S/C(=C\c2cccc3ccccc23)C(=O)O)nnc1-c1ccc(Cl)cc1 408634998 WGKFZQQSEBDQHV-ZHZULCJRSA-N 435.936 5.989 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408645542 UXSSYYKLMWYZRC-CQSZACIVSA-N 432.829 5.504 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cc(C)ccc2C)cc1 408698757 PEBIARGJHKEXPT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3OC)nc2-c2ccc(Cl)cc2)cc1 408699777 WEWFUWXONMYDAW-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccc(C)cc1 408834175 VICQYRQKJZUPTC-UHFFFAOYSA-N 445.382 6.094 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)C1c3ccccc3C2(Cl)c2ccccc21 408919371 WZQOOGNSKUDFHM-LQDNNDEMSA-N 434.322 5.396 0 40 IKAB Cc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c(C)c1 409112111 KENOPXKKFXNZEQ-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cccc(NCc2cc(Cl)ccc2OCc2ccc(Br)cc2)c1C 409115124 IMFTVZMWPUXNES-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(CCOc3ccccc3F)c3ccccc23)C1=O 409128404 FILHGUKPYGOMMX-JCMHNJIXSA-N 438.524 5.696 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c2ccccc12 409156464 NVJSETYHWLCSGV-FYJGNVAPSA-N 446.528 5.140 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Br)cc2)n1C 409157193 UOKFESIXEFKDOA-UHFFFAOYSA-N 445.386 5.099 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409255227 ZLXIPBIOZIGUGA-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1ccc(NCc2cccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c2)cc1Cl 409258767 VHHVMZWYNNQCLK-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)cc1 900574 VPJOEOUKCWYOOL-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3ccncc3)nc2c1 1266851 VDGLJNQBFGTTFZ-GORDUTHDSA-N 440.286 5.857 0 40 IKAB COc1cccc(-c2csc(N3CCN(C(=O)c4ccc(C(C)(C)C)cc4)CC3)n2)c1 1349986 DOFVNSHZGRCHHV-UHFFFAOYSA-N 435.593 5.079 0 40 IKAB COc1ccc2c(c1)c(CC(=O)Nc1ccccc1C)c(C)n2C(=O)c1ccc(Cl)cc1 1425962 DZHOBNVPOKBJLP-UHFFFAOYSA-N 446.934 5.790 0 40 IKAB OC1(C(O)(c2ccc(-c3ccccc3)cc2)c2ccc(-c3ccccc3)cc2)CCCCC1 1581731 GEWKQHWFVIONJR-UHFFFAOYSA-N 434.579 6.952 0 40 IKAB in-vitro CCOC(=O)c1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 1840349 IZRPBKAWHNRZID-UHFFFAOYSA-N 425.421 6.158 0 40 IKAB C[C@@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 2061729 BRCSGKDVBDYDHH-GFCCVEGCSA-N 432.734 6.624 0 40 IKAB CSC1=Nc2sc3c(c2[C@H](SCC(=O)N[C@@H](C)Cc2ccccc2)N1)CCCC3 2117776 CICZKHRHCRHJSN-XOBRGWDASA-N 445.679 5.060 0 40 IKAB CCCCSc1nnc2n(CCCC)c3c(c(=O)n12)C1(CCCC1)Cc1ccccc1-3 2247741 QHQACCRMHQNLKB-UHFFFAOYSA-N 436.625 5.618 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@H](O)c2c(Cl)cccc2Cl)cc1 2336240 OKUHOUQDNJZSID-RBTNQOKQSA-N 442.323 6.003 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc23)cc1 2374105 VCTIMVWGUGLMJD-UHFFFAOYSA-N 425.536 5.618 0 40 IKAB O=c1c2cc3c(nc2nc(SCc2ccccc2Cl)n1-c1ccccc1)CCCC3 2396604 OUKZFPKKUMTVDY-UHFFFAOYSA-N 433.964 5.605 0 40 IKAB S=C(Nc1ccccc1)Nc1ccccc1Sc1ncnc2sc3c(c12)CCCC3 3192580 DPPIUPPSKHRSDI-UHFFFAOYSA-N 448.642 6.530 0 40 IKAB O=C(c1ccccc1)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 8451919 QJZWFJMXJOCATO-HHHXNRCGSA-N 436.942 7.253 0 40 IKAB CCCCCCc1nc2cc(C)cc(C)c2n1-c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 8625363 AWPLGZKJVAUCHQ-UHFFFAOYSA-N 434.668 8.066 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)c1 8719138 PCZHNEZDVRYCJB-QHCPKHFHSA-N 429.545 5.749 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c(Cl)c1 8756979 CUWQHFSPBIBAJO-UHFFFAOYSA-N 428.001 6.243 0 40 IKAB Cc1ccc(C(=O)n2ccc(-c3cccc(OCc4ccc(Cl)cc4Cl)c3)n2)cc1 8857175 PNZLMJMVGWLCTJ-UHFFFAOYSA-N 437.326 6.433 0 40 IKAB Cn1nc(-c2ccccc2)c(COC(=O)Nc2cccc(Cl)c2)c1Sc1ccccc1 8887998 NFHINYWUALWHDD-UHFFFAOYSA-N 449.963 6.640 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3c(C)cc(C)cc3C)c3cc(Cl)ccc32)cc1 8922697 JVESINRXVWOZRS-MHZLTWQESA-N 447.962 5.581 0 40 IKAB C[C@H](NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1)C12CC3CC(CC(C3)C1)C2 9142362 SPJPATSWIPRPQF-DPDSROAVSA-N 448.632 5.475 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5cccnc5)ncnc4c23)CO1 9193132 HJBVPXRJCAMQED-UHFFFAOYSA-N 443.532 5.358 0 40 IKAB COc1ccc(N[C@]2(c3ccccc3)c3ccccc3C(=O)N2c2ccc(OC)cc2)cc1 9335052 CMLVNNGIURTVKP-NDEPHWFRSA-N 436.511 5.677 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(F)cc2)[nH]c2ccccc12 9355545 CKFLBURPIRFVSR-SONOPUAISA-N 446.525 7.280 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 9569233 IPIKJIGULPTVAP-UHFFFAOYSA-N 426.925 5.255 0 40 IKAB CC(C)n1nccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9581881 XAXZGOOTOBRTFS-QGZVFWFLSA-N 444.564 5.102 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 9584432 JYFSTVLAAJPBNT-UHFFFAOYSA-N 428.579 5.474 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9712485 VUTBOYDCUBYUHI-MRXNPFEDSA-N 437.565 5.887 0 40 IKAB O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCC(c2nc3ccccc3s2)CC1 9730283 LWBJVHMKMVOHDP-UHFFFAOYSA-N 439.968 5.096 0 40 IKAB O=c1c2ccccc2n2c(SCc3cccc(Cl)c3)nnc2n1Cc1ccccc1 9947303 VCWXDAHSELBCQK-UHFFFAOYSA-N 432.936 5.038 0 40 IKAB CCCCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 12311619 FVGSBAZRLKVEDP-UHFFFAOYSA-N 442.609 7.674 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(C)c(Cl)c3)cc2)cc1 12461860 LVMMDAADBXCUOC-UHFFFAOYSA-N 442.968 5.443 0 40 IKAB Cc1ccccc1NC(=O)N(Cc1cccnc1)Cc1cc2ccc(C)c(C)c2nc1Cl 12493743 GAVOXURKNXERQU-UHFFFAOYSA-N 444.966 6.443 0 40 IKAB COc1ccc(NC(=O)[C@H](Nc2cccc(C(=O)NC3CC3)c2)c2ccccc2)cc1Cl 12596713 YUSZPLHUWNERPW-HSZRJFAPSA-N 449.938 5.033 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 12600275 HVIDWDNRVUKQRT-UHFFFAOYSA-N 439.993 7.201 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](N[C@H]1CCOc2ccccc21)c1ccccc1 12750534 QYHDDDJIQPLJKA-RBBKRZOGSA-N 426.438 5.499 0 40 IKAB CNC(=O)c1ccc(NC(=O)/C(=C/c2ccc(Br)cc2)c2cccs2)cc1 12854184 FLAARCJGGJJCAV-QGOAFFKASA-N 441.350 5.050 0 40 IKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12866957 JVNVZTKUUYCRQT-YANDFOHXSA-N 432.608 5.758 0 40 IKAB biogenic COc1ccc(CN(C)C(=O)c2ccc(COc3ccc4ccccc4c3)o2)cc1OC 12917977 GKBOSWOQULFOSM-UHFFFAOYSA-N 431.488 5.301 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 13134148 NAODAVLDYJJLMO-UHFFFAOYSA-N 438.527 5.877 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1ccccc1OC 13509645 YNYXONTWPKVIML-UHFFFAOYSA-N 443.551 5.783 0 40 IKAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1 13591909 HKEMLBRNLXEOBJ-SANMLTNESA-N 430.523 5.687 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1 13895449 PZUIEUIZUMYDAH-LJAQVGFWSA-N 441.571 5.424 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13966298 DRKHGTRHHSRQHC-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB Cc1nc(Cc2nn(CN3CCc4sccc4[C@@H]3c3cccs3)c(=S)o2)cs1 14181831 ASPBYHZZWMTMMA-GOSISDBHSA-N 446.648 5.290 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)oc2c1 14272291 IYHWRPNDPVHIRG-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB CCn1c(COc2ccc(C)c(C)c2)nnc1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1 15865331 HZPQUFBNDAYZNC-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1Cl 16424018 QOJBPNBPGIFSOU-UHFFFAOYSA-N 439.125 6.784 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nc2c(-c3ccccc3)csc2c1=O 16845104 IMWDSEYPPUBLPH-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17096341 XFRVCMMHQWKUHT-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1cc(C)cc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)c1 17099442 DGPKXLPQSWUPDX-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)nc2c1 17099503 HNQSHYLCCAUTKW-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 17103160 IRBCCXUPCRJLGR-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB Cc1nc(-c2nc(N[C@H](C)c3ccccc3)ncc2-c2ccccc2F)sc1CCN 19560946 VPDOEKWIAOWLNO-OAHLLOKOSA-N 433.556 5.389 0 40 IKAB CCOc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 19819697 FXPJCVLSBZPJPE-UHFFFAOYSA-N 449.601 5.067 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)c1 20152717 ZVBIZRXUGDTURW-UHFFFAOYSA-N 438.549 5.053 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20460231 XINQGPKPVLHOAU-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cc(C)cc(C)c4)ccc32)cc1 20766007 YZVAJARWUGLLDU-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccc(F)cc1 22076717 WZNQMYQMUHYAHJ-UHFFFAOYSA-N 444.344 5.774 0 40 IKAB Cc1ccc(-c2noc(CN(CC(C)C)S(=O)(=O)c3ccc(C(C)C)cc3)n2)cc1 22256939 OOGTWMKXKBUKTC-UHFFFAOYSA-N 427.570 5.015 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccccc1I)c1ccccc1 22513261 LLLDVVHJVBLRNK-HXUWFJFHSA-N 427.285 5.119 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccco3)C(=O)CSc3ccccc3)nc12 22899996 YNSIDLIVLKXWGE-UHFFFAOYSA-N 440.546 5.232 0 40 IKAB COc1ccc(CCNC(=O)c2sc3cc(C(C)(C)C)ccc3c2Cl)cc1OC 26688099 YULKOBWEBOVQKG-UHFFFAOYSA-N 431.985 5.842 0 40 IKAB CC[C@H](C)[C@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc2c1 26772129 FRDOVDLKLQQWCJ-WLRWDXFRSA-N 436.291 5.171 0 40 IKAB biogenic O=C(c1ccc(NCc2ccccc2-c2ccc(CN3CCCC3)cc2)nc1)N1CCCC1 32829461 HJSPQKAYSFZCGY-UHFFFAOYSA-N 440.591 5.193 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(C)cc1 33658069 WQUMTBHXVVKFAS-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB N=C1S[C@@H](C(=O)c2ccccc2)[C@](Br)(c2ccccc2)N1c1ccccc1 35185304 AHUSPTPILYVXOB-UNMCSNQZSA-N 437.362 5.674 0 40 IKAB Cn1ncc(C(=O)Nc2ccccc2C(C)(C)C)c1C(=O)Nc1ccccc1C(C)(C)C 36617903 NZKZKOTVAJDQBH-UHFFFAOYSA-N 432.568 5.520 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)cnc2c1-c1ccccc1 38829705 ASWHUJKBHQHYRU-UHFFFAOYSA-N 440.425 5.122 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 39556845 DQOSNLYPHJJISR-HYARGMPZSA-N 427.891 5.440 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@H](NC(=O)c2ccc(F)c(F)c2)C1 57762988 PRLRDOQAVJOKOX-HXUWFJFHSA-N 429.898 5.307 0 40 IKAB CCn1nc(C)c2nc(SCc3ccc(Cl)cc3)n(Cc3ccc(F)cc3)c(=O)c21 64817403 HLWKPVUMWPPWLD-UHFFFAOYSA-N 442.947 5.054 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)c(F)c2)s1)C1(c2cccs2)CCCC1 70635111 QLRBSZDZCBIORX-UHFFFAOYSA-N 437.562 5.621 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 71328042 OFTLMPSONNKXSG-UHFFFAOYSA-N 444.000 5.828 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc(C)c1Cl 72230059 CDNNDIINYDSCSF-HSZRJFAPSA-N 430.331 5.709 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358209 QCUIIEQVCSWHHD-QFIPXVFZSA-N 443.469 5.202 0 40 IKAB COc1c(C)c(C)c(O)c(C)c1C/C=C(\C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C 77302439 OSASXCLFHSTYLS-OLOZJIBXSA-N 444.744 9.254 0 40 IKAB in-vitro O=C(Nc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccccc1 89822932 XEUFMLYRJPTBAP-UIAACRFSSA-N 434.433 5.257 0 40 IKAB COC(=O)C[C@H](c1ccco1)c1oc(CSc2ccc3ccccc3c2)cc(=O)c1O 95472684 YPDVOGPINOCLIW-LJQANCHMSA-N 436.485 5.079 0 40 IKAB Cc1ccccc1C(=O)N1C(=O)N(c2ccc(Cl)cc2)[C@@]2(C)C[C@H]1c1ccccc1O2 100034148 FVKZTLJDABEIFR-SQJMNOBHSA-N 432.907 5.971 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1cc2ccccc2o1 101189016 AXTYLSXVPMOALY-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 103117597 GWQANDHBBDBMJY-CGWFDZAZSA-N 433.507 5.012 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1OC 106723610 DLXWFRFSAFZJEA-WQRHYEAKSA-N 448.338 5.093 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223809015 CHOQVKUQPWGREP-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224168174 NHJPMTHCGCBPIA-UHFFFAOYSA-N 431.576 6.695 0 40 IKAB Cc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NCC(C)C)cc1 224203916 KTYGWSNZMOFXMV-QFIPXVFZSA-N 430.592 5.270 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1CSc1ccc(Cl)cc1 224391975 SLBJUOGCSRHPDV-GOSISDBHSA-N 440.008 6.392 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(OC)cc1 224599522 GMMXUHJZMOYNMO-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](CC)C(=O)NC2CCCC2)cc1 224635063 TUPGUYVUEYWTSA-AREMUKBSSA-N 434.624 5.090 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224669134 FQQBHWKSEZCCGS-NRFANRHFSA-N 436.596 5.055 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225582266 DCFJEYSKTKJLOD-CUNXSJBXSA-N 444.619 5.803 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 225644587 GMMJALIYCJNFOY-CVDCTZTESA-N 444.616 5.338 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 225696585 UIZGUJNFBHQAMB-KKSFZXQISA-N 435.395 5.258 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cn5ccc(C)cc5n4)C3)c2)cc1 257213134 CGHKTJSKWZAMMK-OAQYLSRUSA-N 440.547 5.042 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(F)c(Cl)c2)C1 257222821 DUURZSDFKACNGA-VWPQPMDRSA-N 440.342 5.637 0 40 IKAB COc1cc(C)c(CN2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c(C)c1C 257308633 TXMBLKCBOOZFJM-DEOSSOPVSA-N 443.591 5.161 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 260753036 AXFQEUWMAAGTIE-UJUVCNOISA-N 438.021 6.476 0 40 IKAB Clc1ccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)cc1 408553661 BGGDFSBHMRLBRK-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)/C(=C/c1ccccc1Cl)c1ccccc1 408578035 SCILCOYJAOGWBT-SFQUDFHCSA-N 436.260 7.192 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408578144 WAURGAZIVZXFDM-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 408674675 BDRWRKXCYLSPSM-UHFFFAOYSA-N 438.405 5.455 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)c(C)c1 408695845 TXTSVCDXIRKEKB-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408698773 PKYAAUDJDUJRSX-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3Cl)nn2-c2ccccc2C)cc1 408726104 RZUPINSSJPCVSB-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB COc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 409200391 LCQYGUMYTDEPKJ-UHFFFAOYSA-N 434.280 5.927 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OS(=O)(=O)c1cccc2ccccc12 409269205 HAOSUQXDPHXWRW-UHFFFAOYSA-N 447.537 5.893 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409328251 QPXFWJKKEVSZAC-UHFFFAOYSA-N 447.347 5.574 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1 409328955 BAVPVSOEHQUWGP-UHFFFAOYSA-N 426.929 5.175 0 40 IKAB CC[C@H](C)c1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@@H](C)COC 584906195 KVYSAROQHICKLR-WMZOPIPTSA-N 425.598 5.545 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccnn2[C@H]2CCCc3ccccc32)cc1OC 624893769 ZDMNDMDCJSCJFT-IBGZPJMESA-N 425.916 5.122 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3cccc4c(C(=O)c5ccccc5)ccc(c34)C2=O)cc1 678007 FJBPNQAJBCMUAR-UHFFFAOYSA-N 449.462 5.048 0 40 IKAB COc1ccc([C@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2cccc(C(F)(F)F)c2)cc1 843891 KECDZVAZPVJZQR-QHCPKHFHSA-N 449.432 5.854 0 40 IKAB COc1ccc(-c2csc(N(Cc3ccccc3)C(=O)COc3ccccc3)n2)cc1 929097 YWFYNOWTVRIFSF-UHFFFAOYSA-N 430.529 5.431 0 40 IKAB CCOC(=O)c1cc(-c2ccc(Cl)cc2)n(NC(=O)CSc2ccccc2)c1C 984794 HWMNTHNWMDUOKD-UHFFFAOYSA-N 428.941 5.156 0 40 IKAB COc1cc(OC)c(NC(=O)c2sc3nc4c(cc3c2N)CCCCCC4)cc1Cl 1010367 AOVLRHMVUZZNBH-UHFFFAOYSA-N 445.972 5.460 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1ccccc1)C(=O)c1cccs1 1333533 IPIAXDZHOLPHTH-QFIPXVFZSA-N 438.618 5.642 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2F)s1 1365978 GATKBTATOPBDPS-GOSISDBHSA-N 442.478 5.281 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1CS(=O)(=O)c1cccc(C(F)(F)F)c1 1388586 PLKRLPSFPIUNOB-UHFFFAOYSA-N 444.430 5.657 0 40 IKAB CCN(CC)c1ccc(N[C@@H](c2ccc(Cl)cc2)[C@H](O)c2ccc(Cl)cc2)cc1 1669482 ZDSGIPWJEGRVHD-BJKOFHAPSA-N 429.391 6.726 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2Cl)c(C)c1 1839661 DSZCMIYEPYNUPT-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(F)cc2)sc2c1CC[C@H](C(C)(C)C)C2 2084930 CGVOXHHSRATXNZ-AWEZNQCLSA-N 433.545 5.232 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 2248300 IFCHWHTZJQKMSQ-GDBMZVCRSA-N 435.837 5.153 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 2629920 DSVZZHDTQOLZBI-APWZRJJASA-N 432.553 5.434 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnnn1-c1ccc(Cl)cc1)c1ccccc1 2640164 KOPQJVDHRFEWCO-QFIPXVFZSA-N 445.935 5.513 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(F)cc2)cc1 2693153 VOXRZVOYKMMDOR-UHFFFAOYSA-N 449.503 5.009 0 40 IKAB C[C@H](Oc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1 2716199 PGXZDBXTQBINIA-KRWDZBQOSA-N 436.349 5.788 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OCc3cccc(C(F)(F)F)c3)cc2)cc1C 3276534 RZCQTYOVDIIWJG-UHFFFAOYSA-N 449.494 5.726 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2-c2ccccc2)s1 3294419 XCSKCNGSYHXLFO-UHFFFAOYSA-N 432.574 5.988 0 40 IKAB O=c1cc(CSc2nnc(-c3ccco3)n2-c2ccccc2)c2cc3c(cc2o1)CCC3 3516293 BVSRXNUQEGQYNM-UHFFFAOYSA-N 441.512 5.415 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cccs1 6232803 MWIGFJZTMJHYKP-RUZDIDTESA-N 431.645 8.019 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 8383661 NTOZONLRJIKXSS-UHFFFAOYSA-N 435.932 6.273 0 40 IKAB Brc1ccc(C2=CSC3=NN=C(c4ccccc4)[C@H](c4ccccc4)N23)cc1 8398217 BISJVTOFDAXMTH-QFIPXVFZSA-N 446.373 6.312 0 40 IKAB Cc1ccc(CSc2nc3ccc(NC(=O)COc4ccc(F)cc4)cc3s2)cc1 8673857 XWHINNGXGASOMN-UHFFFAOYSA-N 438.549 6.054 0 40 IKAB COc1ccc(CCC(=O)N(C)[C@@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 8720494 PYXCUWMPDLJHMU-IBGZPJMESA-N 443.547 5.195 0 40 IKAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1ccn(-c2ccccc2)c1-n1cccc1 8763292 UZSNGMWZVULNMD-UHFFFAOYSA-N 445.979 6.009 0 40 IKAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)CCCC(=O)O)cc2c1 8830131 ACGQCSJCKMYSIK-SFHVURJKSA-N 441.940 5.191 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 8882912 OZKRPQIREUZRDR-LJQANCHMSA-N 436.562 5.322 0 40 IKAB CCOc1ccc(OCCOC(=O)c2ccc(-n3nc(SC)sc3=S)cc2)cc1 8884356 KCMUXTSVVSQFSN-UHFFFAOYSA-N 448.591 5.020 0 40 IKAB Cc1ccccc1NC(=O)N(O)[C@@H]1N(c2ccccc2C)C(=O)N(C2CCCC2)C1(C)C 8926384 PPZWYRINGLEDBS-QFIPXVFZSA-N 436.556 5.516 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccco2)n1C)c1ccc(Nc2ccccc2)cc1 9056827 IVEVSWFBLQXJHI-UHFFFAOYSA-N 447.564 5.352 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 9158394 QOFWQDFDZQDCHR-QHCPKHFHSA-N 445.902 5.243 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)cc1 9170765 CBYHJYJOUCJHPX-UHFFFAOYSA-N 448.979 5.686 0 40 IKAB C[C@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 9209230 DBTDEAVKPOAGNQ-HNNXBMFYSA-N 431.517 5.174 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1ccco1 9217953 QGFDOJBTPSDHML-AWEZNQCLSA-N 430.961 5.104 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 9309789 CLGLAHGFJQRIDE-FCHUYYIVSA-N 448.313 5.193 0 40 IKAB COc1ccc([C@@H]2CC(=O)N(CC(=O)c3ccccc3)c3ccccc3S2)cc1OC 9414549 AQQBNYKPSQAXJP-DEOSSOPVSA-N 433.529 5.157 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)cc1 9599223 FOBAJLJOWFAJGR-UHFFFAOYSA-N 449.576 5.097 0 40 IKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@H](C)c2cccnc2)cc1F 9671272 GZCLNJANINAVPK-HXUWFJFHSA-N 444.554 6.103 0 40 IKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)COc1ccc2ccccc2c1 9883462 JILBYHKOSHEQHI-UHFFFAOYSA-N 426.472 5.118 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)c1 9924811 KSPZLOPLOUYXFU-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccc(-c2oc3ncnc(NCc4ccco4)c3c2-c2ccc(OC)cc2)cc1 10013874 UZOSHPCXDHMIIZ-UHFFFAOYSA-N 427.460 5.779 0 40 IKAB O=C(c1csc(-c2ccc(Cl)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 10222675 LIFZOKFKLQEOGJ-UHFFFAOYSA-N 439.993 6.093 0 40 IKAB CCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(F)c(Cl)c2)c2ccccc21 12420091 QPMGJQBZIKMTDH-RUZDIDTESA-N 449.913 5.551 0 40 IKAB Cc1nc(-c2ccc(NC(=O)c3cnn(-c4ccc(F)cc4)c3C(F)(F)F)cc2)cs1 12824034 QODXXUFDPXVFFY-UHFFFAOYSA-N 446.429 5.714 0 40 IKAB Clc1ccccc1-c1nc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)no1 12852241 HCTRORPNLFLOCO-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB CC[C@H](C)c1ccc(-n2c(SCc3noc(C)n3)nc3cc(Cl)ccc3c2=O)cc1 12918796 WXVCMTJJRYONRD-ZDUSSCGKSA-N 440.956 5.536 0 40 IKAB Clc1ccc(-c2csc(N3N=C(c4ccco4)C[C@@H]3c3ccc(Cl)cc3)n2)cc1 13011625 VGNOCVPGNYINRR-HXUWFJFHSA-N 440.355 7.066 0 40 IKAB O=C(CN1CCN(c2ccccc2Cl)CC1)Nc1ccccc1Sc1ccccc1 13056393 GVWVNHDCBOEXEQ-UHFFFAOYSA-N 437.996 5.252 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2C(C)(C)C)ccc1OCCOc1ccccc1 13116266 YJFNCXFXXDXVEV-UHFFFAOYSA-N 433.548 6.093 0 40 IKAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2oc(SCc3ccccc3)nc2c1 13149007 VWJKJTBHVUIJIH-UHFFFAOYSA-N 430.938 5.574 0 40 IKAB Cc1occc1C(=O)N(c1ccccc1)[C@H](C(=O)NCc1ccccc1)c1ccc(F)cc1 13503536 ZHNAYRMQDASAOI-VWLOTQADSA-N 442.490 5.432 0 40 IKAB COc1ccc(CCN(Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1OC 13989492 MAGTUACVUBFCKB-UHFFFAOYSA-N 430.470 5.363 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)COc1ccc(-c2ccccc2)cc1Cl 14139156 VIJGCYHRZNXCKP-UHFFFAOYSA-N 436.939 5.100 0 40 IKAB Cc1ccc2[nH]c(SCC(=O)c3cc(C)n(Cc4ccc5c(c4)OCO5)c3C)nc2c1 14361529 GGVAYJXTIRBIIY-UHFFFAOYSA-N 433.533 5.042 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(C3SCCS3)cc2)N2CCCCC2)cc1 15478284 AJOKOSYBGSHVAG-JOCHJYFZSA-N 442.650 5.131 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 16033443 CTUMMESNLVRHKF-IAQYHMDHSA-N 446.400 6.281 0 40 IKAB COc1cc(CNCc2ccccc2Cl)cc(Br)c1OCc1ccccc1 16195723 OTTXTFCGKVCYQD-UHFFFAOYSA-N 446.772 5.980 0 40 IKAB COc1ccc(O)c(C(=O)CCCCCCCCCCC(=O)c2cc(OC)ccc2O)c1 16215252 OGCARBSGBNKHKA-UHFFFAOYSA-N 442.552 6.082 0 40 IKAB COc1ccc(Br)cc1[C@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 17083544 LRJUYPMKLYBAOY-VOJFVSQTSA-N 449.414 5.524 0 40 IKAB COc1ccc(C2=Nc3c(-c4ccc(F)cc4)c(C)nn3[C@@H](c3ccco3)C2)cc1OC 17097472 JLZYWFOFQQPUMK-HXUWFJFHSA-N 431.467 5.722 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 17102786 BKNIWTHHYDDYGP-UHFFFAOYSA-N 438.890 5.156 0 40 IKAB COc1cccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3cccc(OC)c3)c2Cl)c1 17103157 AEIIWPHCIZLUMS-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB Cc1ccc(NC2=NC(=O)C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)S2)cc1 17147646 UVOVCYCROCDOQI-HNNXBMFYSA-N 441.862 5.106 0 40 IKAB aggregator CCOc1ccc2ccccc2c1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 17154579 HIECBBCKCDLIKI-UHFFFAOYSA-N 429.903 6.375 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1)c1ccc2c(c1)OCCO2 17191559 SOBCVBDTALAZHE-UHFFFAOYSA-N 442.496 5.065 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19081915 WQCKZFODFKODBS-BKMJKUGQSA-N 449.639 5.519 0 40 IKAB Cc1ccsc1CN1CCC[C@@H]([C@@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 19238616 HKPWKVCNGBNTTD-ATIYNZHBSA-N 433.621 5.154 0 40 IKAB CC(C)n1c(CN2CCO[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)nc2ccccc21 19693404 YSWYDUVBVZJHGV-JOCHJYFZSA-N 447.970 5.301 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1Cl 20145491 XOJOJHHJTINJDN-FMIVXFBMSA-N 433.891 6.313 0 40 IKAB CCc1ccccc1NC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(Cl)cc1Cl 24759712 DKPAIAJPPQTWKL-QFIPXVFZSA-N 441.358 5.536 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)cc1 24941957 VPDJFERPFXQVCI-FQEVSTJZSA-N 432.495 5.417 0 40 IKAB Cc1cccc(-n2ccnc2SCC(=O)N2N=C(c3ccco3)C[C@@H]2c2cccs2)c1 25742875 XHPCNQFIIBHLHK-LJQANCHMSA-N 448.573 5.305 0 40 IKAB Cc1cccc(CSc2ncc(Br)c(C(=O)Nc3ccc(F)cc3)n2)c1 28292408 SUYKDFJWCZFVHP-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CCc1ccccc1NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1 33597184 KUSIPZNVKYVBKQ-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccccc5F)nc4c3)o2)cc1C 35327464 FSTFHFZUAFISIX-UHFFFAOYSA-N 426.447 6.763 0 40 IKAB COc1cc(CN(C(=O)Nc2ccc(C)c3ncccc23)C2CC2)ccc1OC(F)F 40120238 SRCJVETXULQELU-UHFFFAOYSA-N 427.451 5.350 0 40 IKAB O=C(Cc1ccc(NC(=O)CC(c2ccccc2)c2ccccc2)cc1)NCC(F)(F)F 44035878 VMLVQTLRIBWHNJ-UHFFFAOYSA-N 440.465 5.068 0 40 IKAB C[C@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccc(F)cc1 45943404 GZZHVCYKIZCODI-LBPRGKRZSA-N 435.318 5.040 0 40 IKAB O=C1N(Cc2ccc(F)cc2)c2ccccc2C12c1cc(O)ccc1Oc1ccc(O)cc12 72422421 APUHJHYOJGLWPE-UHFFFAOYSA-N 439.442 5.224 0 40 IKAB COCCNC(=O)c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 89414691 SCAFDXBDPHTSDC-UHFFFAOYSA-N 432.911 5.070 0 40 IKAB C[C@@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@H](c1ccccc1)CC2)c1ccccc1 89905511 XOQIBEZUWPDJNL-WIYYLYMNSA-N 447.604 5.036 0 40 IKAB O=C(CSc1ccccn1)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 95946596 VHSBSEPTZSOAHW-OLTPAFFXSA-N 439.584 5.997 0 40 IKAB Fc1ccc(-c2cnc3n2C[C@H](CN(Cc2cccs2)Cc2cccs2)OC3)cc1 96269295 MOJLSPUZMIHWRD-IBGZPJMESA-N 439.581 5.413 0 40 IKAB biogenic,in-vitro CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1cccc(F)c1 101373526 DBAXYIIMUYORRC-PIIWDFAUSA-N 440.518 6.786 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@H]3C2=O)cc1C 102694036 JTNIFZSWZPIHRK-YTFSRNRJSA-N 432.907 5.008 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N1Cc1ccccc1 106681411 XFYOPHZVEFQPCR-OYKKKHCWSA-N 442.515 6.065 0 40 IKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)ccc2c1 222593993 JTRZYTHMFCAODL-UHFFFAOYSA-N 447.600 6.117 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222629593 BMVXDBWETPTPLV-QGZVFWFLSA-N 433.017 5.154 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc2c(c1)CCCC2 222975819 ZAJVTNPOCGDNOP-QGZVFWFLSA-N 428.979 5.447 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 223414914 BMUZMQZVCGZEBQ-SFHVURJKSA-N 449.422 5.486 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 223593004 QTUGXZODHZQGDU-QHCPKHFHSA-N 445.003 5.223 0 40 IKAB Cc1cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c(Br)c1 223976586 RSLKJTOCLJSPGU-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1C 224018659 NFASXNQWJLKRGK-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224176630 XHFOYHHAAKHQSY-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cc2)cc1 224343033 LZWVGRMFZYSICI-UIOOFZCWSA-N 438.600 5.920 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224343779 DYVOUSNSFHYXAH-DQEYMECFSA-N 442.563 5.751 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C(C)C 224562940 XEGIOAYIXDUTGP-UHFFFAOYSA-N 437.967 6.371 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)c1 224664546 MLDMFOCHRSGOGM-GYZZIOIESA-N 446.572 5.246 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc4ccccc34)o2)cc1 224917531 IHBBQESEHVOXCU-UHFFFAOYSA-N 434.495 6.813 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccccc1Cl 225066238 QVCMDUWQAMDCBA-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225282457 YMIOXNKEUJYIDO-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)c2ccccc2O1 225299668 QSQKDTWMOAMFBO-CQSZACIVSA-N 444.380 5.363 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 225528505 BDNHINQMPFOESG-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2ccc(Cl)cc2)c1 225610042 NDFRMOXCNOJLBV-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 225642726 QSUROPPTMCFZGA-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)COC)c(Cl)c1 225743496 TWURZHZLPJVXPX-SFHVURJKSA-N 428.013 5.950 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2cc(O)ccc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)OC(C)(C)C)C3 257211693 BZYRHRFOSUTNHJ-HOKHCIIBSA-N 443.584 5.604 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)o2)c1 257277893 NZXWQIQNCXSOMH-QHCPKHFHSA-N 433.483 5.262 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4ccc5cnccc5c4)CC3)CCOCC2)c1 257322252 WFEUQPZISSGBOO-QHCPKHFHSA-N 442.603 5.463 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccccc2Sc2ccc(Cl)cc2)S1 260753033 AXFQEUWMAAGTIE-KBJGYGKASA-N 438.021 6.476 0 40 IKAB Cc1nnc(S/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)O)o1 408632053 IIIKFUJAOZEQNN-MFOYZWKCSA-N 437.304 5.482 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Sc1nc2ccccc2[nH]1 408634578 RVHFMBPYMLZJKX-ZDLGFXPLSA-N 431.300 6.348 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408647366 XDBYVQOAPDLVFL-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1 408692237 IBANQGYUVGPAHQ-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN1C(=O)Oc1ccccc1 408736382 BJJQAPANCISJHE-SFHVURJKSA-N 427.913 5.065 0 40 IKAB Cc1c(/C=C2\SC(=O)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F 408812885 BZIGMJVILXEZJQ-IWIPYMOSSA-N 442.515 6.378 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 409001075 GMRCIKOAOXGBCN-HSZRJFAPSA-N 434.923 5.351 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(Br)c2)ccc1OCc1ccccc1 409088597 FRHATUGADNZVGF-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c1 409118043 MTJFSVUUNVCYPK-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Cl)c(Cl)c1 409176477 OONGCXIHPOEDPF-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409201347 LRQPFYOSDZFYOO-SLDJAQPHSA-N 427.522 5.005 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)cc1Cl 409256009 NGRUMJOYDXDILI-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB COC(=O)c1cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)ccc1Cl 409362299 TWYPRQGHQSJILR-UNOMPAQXSA-N 439.876 5.628 0 40 IKAB CCOc1cc(/C=C\C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 409416174 IMIPPNSZRQNCCZ-UTCJRWHESA-N 445.140 5.232 0 40 IKAB CC(C)[C@@H]1C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)c2ccccc21 685939977 PCTHXIHTUJIEHE-NEKDWFFYSA-N 441.527 5.649 0 40 IKAB CCCCCC(=O)N1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646710 QARTUPXKPXMTNX-GOTSBHOMSA-N 434.580 5.510 0 40 IKAB Cc1ccc(C(=O)CSc2nc(C)cc(SCc3nnc(-c4ccccc4)o3)n2)cc1 900041 AQBOGYKNWPOPQM-UHFFFAOYSA-N 448.573 5.411 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 1003083 JYWPKMILJQQEDO-UHFFFAOYSA-N 432.352 5.605 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3cccc(Cl)c3)cc2c1 1353243 CRZBBKHCRCPISS-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB Cc1ccc([C@H](CCNC(=O)C[C@@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 1832699 FWXYDKSGTWJPJW-RRPNLBNLSA-N 447.619 6.843 0 40 IKAB biogenic Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2F)N2CCC(C)CC2)c1C 1890835 WMGSWHTYFOEPSF-DEOSSOPVSA-N 436.596 6.578 0 40 IKAB COc1cccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)c1 2383688 VBQWGGBVHWNTQU-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB CCCCCCn1c(N)c(S(=O)(=O)c2cccc(Cl)c2)c2nc3ccccc3nc21 2422500 MMXHBMAHBNRFDY-UHFFFAOYSA-N 442.972 5.233 0 40 IKAB CSc1ccc([C@@H]2C3=C(Nc4ncnn42)c2ccccc2O[C@@H]3c2cccs2)cc1 2707432 XWJJRFFVLPQTDN-FGZHOGPDSA-N 430.558 5.621 0 40 IKAB COc1ccc2cc(-c3cc(C(=O)Nc4cccc(C(C)=O)c4)c4ccccc4n3)ccc2c1 3216058 MFKNBKGPUKZPSB-UHFFFAOYSA-N 446.506 6.519 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)Nc1c(Cl)cc(Cl)cc1Cl 3486973 RFOPMOPYZAQGIX-UHFFFAOYSA-N 449.146 6.081 0 40 IKAB O=C1c2ccccc2C(=O)N1CN(C(=O)c1ccccc1)c1ccc2c(c1)oc1ccccc12 4256517 RFCAOZOFZUFIJN-UHFFFAOYSA-N 446.462 5.487 0 40 IKAB CCOC(=O)COc1ccc(/C(CC)=C(\CC)c2ccc(OCC(=O)OCC)cc2)cc1 4769048 HPGJCKHTPLFVEI-WCWDXBQESA-N 440.536 5.301 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@H]2C)cc1OC 6177309 SJNMKJOWLUSYHQ-FFJNVULZSA-N 428.532 5.696 0 40 IKAB biogenic CC1=C(CC(=O)Nc2cccc(C)n2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 8993187 IXYXYDLZMWZSMC-XSLJVDACSA-N 446.547 5.623 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 9019646 AWRQZCOGPCRLAZ-UGKGYDQZSA-N 427.342 5.278 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3s2)ccc1C 9064719 PYBPTNDZXVQNFY-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB COc1ccc(C(=O)Nc2oc3c(C)cccc3c(=O)c2-c2ccc(OC)c(OC)c2)cc1 9130302 BLPAVPLHYOJOKG-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB CSc1ccc2cc(COC(=O)c3ccc(CN4CCCC4=O)cc3)c(Cl)nc2c1 9244656 PXLMGZGQNXCZIZ-UHFFFAOYSA-N 440.952 5.090 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2cccc(C)c2)cc1 9308998 YHABRGPIDYDMIT-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3c[nH]c4ccccc34)cc2)cc1 9316887 XOKNNHFKEKLVPB-UHFFFAOYSA-N 427.504 5.390 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(C)c1 10112674 UVXRYRFOYKPRFV-UHFFFAOYSA-N 432.010 6.358 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 11866348 SMSQYZDUNWLKJC-UHFFFAOYSA-N 436.870 5.896 0 40 IKAB biogenic Nc1c(C(=O)c2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 12250438 BHNDFULQISXYPC-UHFFFAOYSA-N 430.916 6.690 0 40 IKAB Cn1nc(CSc2ccccc2)c(CSc2ccc(Br)cc2)c1Cl 12338554 NAHZOZCVWIQWNC-UHFFFAOYSA-N 439.831 6.421 0 40 IKAB COc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3cc(C)cc(C)c3)n2)cc1OC 12442243 ANMMUDGXZBMZNE-UHFFFAOYSA-N 448.548 5.191 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 12593358 JJSQROYQVYRQGC-LBPRGKRZSA-N 441.919 5.976 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)cc1 12645436 GSTHPOWGJMWAFC-UHFFFAOYSA-N 446.547 5.139 0 40 IKAB CCCCCn1c(SCC(=O)Nc2ccccc2Br)nc2ccccc21 13146018 AQQZBJRCSKKYGN-UHFFFAOYSA-N 432.387 5.720 0 40 IKAB CC(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2C)cc1 13325567 KUAYHMNNQZDUCA-UHFFFAOYSA-N 434.487 5.355 0 40 IKAB O=C(c1ccc(Br)cc1)[C@@H]1Oc2ccccc2[C@H]2CC(c3ccccc3)=NN12 13512556 SMKNEWPCJXBHSH-OFNKIYASSA-N 433.305 5.202 0 40 IKAB O=C(CN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccccc1-c1ccccc1 13561952 QULXTAMCRHOTAU-UHFFFAOYSA-N 439.481 5.133 0 40 IKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N(Cc1ccccc1)Cc1ccccc1 13687470 OBBXPLYEUUUNCY-UHFFFAOYSA-N 441.958 6.762 0 40 IKAB CCn1c(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 14068931 ALIOMSRUYYKIDQ-KRWDZBQOSA-N 445.548 5.272 0 40 IKAB CCn1c(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)nnc1-c1ccncc1 14068935 ALIOMSRUYYKIDQ-QGZVFWFLSA-N 445.548 5.272 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(-c4ccc(Br)cc4)o3)C(=O)O2)cc1 15978327 GNNOQMVAQSNFAB-UYRXBGFRSA-N 438.277 5.452 0 40 IKAB CCN(C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 16043568 BYDLRSWUPWDWLT-JFEPRVOOSA-N 447.663 6.043 0 40 IKAB Clc1ccc(OCc2ccccc2Cl)c(CNCCc2c[nH]c3ccccc23)c1 16449989 NKVUQBYJQZKXBC-UHFFFAOYSA-N 425.359 6.386 0 40 IKAB c1ccc(C2=NN(c3ccccc3)[C@@]3(NN=C(c4ccccc4)c4ccccc43)S2)cc1 16478076 LUPVPOWUSCDGSU-HHHXNRCGSA-N 432.552 5.768 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17100900 UNHZZULCFBTVQV-UHFFFAOYSA-N 436.924 5.019 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccnn4C(F)F)C3)c(-c3ccncc3)c2c1 19220298 NTVWDYQUECIYKO-QGZVFWFLSA-N 435.478 5.150 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c(C3CCN(C(=O)c4cc(C5CC5)on4)CC3)noc2n1 19452139 XTJJSXMVMJVCLI-UHFFFAOYSA-N 448.445 5.250 0 40 IKAB O=C1N(Cc2ccc(F)cc2)c2ccccc2C1(c1ccc(O)cc1)c1ccc(O)cc1 19625009 LAPFBVOOQJWCEU-UHFFFAOYSA-N 425.459 5.118 0 40 IKAB CCN(C(=O)CCc1ccc(Cl)cc1)[C@H]1CCO[C@@H](c2cccc(-c3cncnc3)c2)C1 19712013 MEGYPIVOBZIJBY-LOSJGSFVSA-N 449.982 5.498 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c1 20459661 QWBKNCOPUGCFHK-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB CCc1cccc(CC)c1-n1c(SCc2occc2C(=O)OC)nnc1-c1cccnc1 23355101 OPPVEPVSNRVPGR-UHFFFAOYSA-N 448.548 5.126 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc(C)c(-c4nc(-c5ccccc5)no4)s3)no2)cc1 31814658 SSTRUJIJOOXFOT-UHFFFAOYSA-N 443.488 5.384 0 40 IKAB CCc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4cc(Cl)ccc4n3)c2)cc1 33068261 XRFIOXNBEWEMAB-UHFFFAOYSA-N 448.910 5.133 0 40 IKAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3ccccc3Cl)c12 39556427 KHOKIXXOGZMEHL-BKUYFWCQSA-N 437.996 5.325 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2)c1 49422132 CXFOELSNQIJKCF-UHFFFAOYSA-N 446.457 5.023 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2cccnc2SC2CCCCC2)cc1 72217339 JZSKCLDHDMZRQM-JOCHJYFZSA-N 430.639 5.731 0 40 IKAB O=C1/C(=C\c2ccccc2F)c2ccccc2N1CN1CCC(Cc2ccccc2)CC1 72422424 QSVUBIDKDCGRNB-PLRJNAJWSA-N 426.535 5.625 0 40 IKAB Cc1ccc2c(-c3cc4c(CN5CCCC[C@H]5CCO)cnc(C)c4o3)cc(=O)oc2c1C 95473925 LRQLXFRGJMDLSR-FQEVSTJZSA-N 446.547 5.263 0 40 IKAB C[C@@]12CC3CC(CC(=O)Nc4ccc(Oc5ccc6c(c5)OCO6)cc4)(C1)C[C@@](C)(C3)C2 100228394 RRRTZONZVFZPRT-BQXUZZFESA-N 433.548 6.533 0 40 IKAB O=C1[C@@H]2CCC[C@@H]1[C@H](c1ccc(Br)cc1)N[C@H]2c1ccc(Br)cc1 100574897 QVDGXRZENJEJRK-YRXWBPOGSA-N 449.186 5.583 0 40 IKAB CC12C[C@H]3C[C@H](C1)CC(C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 100694147 WALOZKVZBRZLRW-JZLQPTSESA-N 443.631 5.768 0 40 IKAB COc1ccc([C@@H]2c3c(ncn(Cc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1 101175745 UZTNRHVAANRKFQ-VWLOTQADSA-N 445.522 5.859 0 40 IKAB CC1(C)CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]2C1 102457036 PSZDOEIIIJFCFE-WYJSUEIISA-N 442.728 7.141 0 40 IKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 106684068 GDKAHZKQUXTROQ-XKZIYDEJSA-N 437.948 6.517 0 40 IKAB CCOc1ccccc1CNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958740 SNWSVINBUBEXSJ-UHFFFAOYSA-N 442.603 5.470 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1Br 218823775 GKHAOYUYNGYNBE-UHFFFAOYSA-N 446.728 6.221 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC(C)(C)C)cc1 222678504 ZOGFEXRZXIPVGC-HXUWFJFHSA-N 426.626 5.118 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 223747018 LEKMTUBYWADFIR-MSOLQXFVSA-N 446.395 5.091 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)c1 223807332 VUVJNUZCMUGMDH-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB C[C@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 223916174 NDFSUPRGQDQOCS-INIZCTEOSA-N 441.000 5.718 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224153178 RPOBERISDWBURO-OAHLLOKOSA-N 430.331 6.072 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224304235 HSRPTQLRAPMDGW-UHFFFAOYSA-N 441.483 5.466 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224324520 QJHNXAQMPHSKEM-RBUKOAKNSA-N 444.423 5.645 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224525240 VFCJKNHFABTEJE-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1cccc2ccccc12 224632395 ZVRYAUDHGFIMKQ-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CC(C)c1ccc(N(Cc2ccc(C(=O)NCC3CCCCC3)cc2)S(C)(=O)=O)cc1 224668045 OSSCFYOFCOFZNN-UHFFFAOYSA-N 442.625 5.086 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225134324 KDECYXWSDYWTBC-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 225660097 PZWSGSQDQQEPFN-CYFREDJKSA-N 442.575 5.050 0 40 IKAB S=C(NCc1ccccc1Cl)Nc1nc(Oc2ccccc2)cc(N2CCCC2)n1 225936771 HFQVFDOEHRNHIO-UHFFFAOYSA-N 439.972 5.009 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 257318907 VPXOIXCFAGBJCL-RUZDIDTESA-N 444.619 5.994 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)c1C 408638153 BMGOZUKROJWTAV-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)c1C 408697563 HWEPXOMEKQZVLY-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408699413 UCNRJJJYKPVWIC-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1ccccc1-n1nc(C(=O)NC2CCCCC2)cc1-c1ccc(-c2ccccc2)cc1 408727868 YGPJZIWMQIFHII-UHFFFAOYSA-N 435.571 6.577 0 40 IKAB COc1ccc(/C=C2/N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1OC 408848883 WWUXHZREVXEPCL-NTUHNPAUSA-N 434.300 5.570 0 40 IKAB O=C(NCCC1=CCCCC1)Nc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 409148014 XTKJGIQVPRATHI-UHFFFAOYSA-N 446.532 5.109 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2c(C)cccc2C)C1=O 409150875 FHHCCPFPXVUHNO-FYJGNVAPSA-N 446.528 5.140 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc2ccccc12 409169850 SEWQJBUAPQAJHT-UHFFFAOYSA-N 430.316 5.927 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc(C)c(Cl)c3)n2C)cc1 409362705 SMXOMKFQTYZSPR-UHFFFAOYSA-N 447.029 5.250 0 40 IKAB CCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(CCc2cc(OC)ccc2OC)n1 585265023 FFRDUHLOTYAMBX-UHFFFAOYSA-N 441.911 5.301 0 40 IKAB COc1ccc(Cl)cc1NC[C@H](O)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21 856956 ZLBGNIKDQYPBCP-INIZCTEOSA-N 449.765 6.236 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)o1 882276 QTMVQIYOFSWRHE-UHFFFAOYSA-N 427.529 5.601 0 40 IKAB CCn1c(CNc2nc(-c3ccccc3)cs2)nnc1SCC(=O)c1ccc(C)cc1 1340145 QIOPEVBUWIIVNQ-UHFFFAOYSA-N 449.605 5.317 0 40 IKAB CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(OC)cc4)cs3)n2)cc1 1413647 ZZZZIFZSKZBHGE-UHFFFAOYSA-N 445.466 6.089 0 40 IKAB COc1cc(/C=C/c2ccccc2)ccc1OC(=O)/C=C/c1ccc(Cl)cc1Cl 1744194 ABBMRUVVKHTDCZ-DQBULIGTSA-N 425.311 6.791 0 40 IKAB CCCOC(=O)c1cc(-c2ccccc2)nc2c(Br)cc(Br)cc12 2058795 MLBOZYITMOKZDJ-UHFFFAOYSA-N 449.142 5.994 0 40 IKAB O=C(Cc1c(Sc2ccccc2)c2ccccc2n1Cc1ccccc1)Nc1ccccc1 2185967 NBKSXIMWCMMWHT-UHFFFAOYSA-N 448.591 7.022 0 40 IKAB CCCCCOC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2297110 APNQLZIJBOSAGV-UHFFFAOYSA-N 426.607 6.063 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2417709 NZFBFCZKLSYSOO-XXBNENTESA-N 431.532 5.123 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCc2c(Cl)cccc2Cl)cc1 2431264 UJAQSFHVPVUDPR-UHFFFAOYSA-N 446.428 6.827 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl 3166073 ASUIBWOIWXRFGK-HHHXNRCGSA-N 446.015 7.690 0 40 IKAB COc1ccc(CN[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC 3291420 CGMWPNWPRYIIOC-JOCHJYFZSA-N 445.346 5.480 0 40 IKAB COc1ccc(C(=O)CSc2nnc(SCc3cccc4ccccc34)s2)cc1 3302886 RINNVPVGFHTVHS-UHFFFAOYSA-N 438.599 5.967 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1)NCC1CCCCC1 3307735 DASZVIJAMSBNCR-UHFFFAOYSA-N 445.592 5.204 0 40 IKAB CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3336740 UZOPGBATXQGZCK-RLWLMLJZSA-N 428.576 5.624 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)C(C)C 3399784 DMBATJSKADHYFL-UHFFFAOYSA-N 428.989 5.325 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655456 FXKCYLURRMQBOR-OAHLLOKOSA-N 449.890 5.732 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(S[C@H](C)c3ccccc3)ncnc21 3658719 PWPSLSFRSVEKFT-LJQANCHMSA-N 437.568 6.949 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)N(Cc1ccc(F)cc1)C1CCCCC1 5231502 KWCZYIRSYIUCSS-UHFFFAOYSA-N 428.577 5.083 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)c(Cl)c2)c1 6143800 JZZZDKCEUJUDEN-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)CCc2ccccc2)cc1 6472299 HOCXWOYOGUFMPL-QHCPKHFHSA-N 432.486 5.348 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccco4)cc3s2)c(C)c1 8673946 XELWYETYTKMJMY-UHFFFAOYSA-N 437.546 5.489 0 40 IKAB COc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CSC3)cc1 8909711 BUORBUVWJVXVHH-UHFFFAOYSA-N 443.956 5.077 0 40 IKAB Cc1sc2nc(CN3CCCC3)nc(Sc3nnc(C4CCCCC4)o3)c2c1C 9056668 SVWHENILYJQTMU-UHFFFAOYSA-N 429.615 5.486 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Nc1cccc(N2CCCC2=O)c1)c1ccccc1 9209143 BVYRYVKPHCSNIS-RUZDIDTESA-N 429.520 5.004 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccc(C)c2)cc1 9307652 ITVDIGNBNQQONR-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccco2)N1c1nc2ccc(Cl)cc2s1 9449310 UTIYMMCQUPSVPN-GOSISDBHSA-N 434.860 5.399 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 9491456 SXPMZNQIJMSYNF-LAUBAEHRSA-N 444.560 5.202 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)c1 9585217 SRVTVMPEVHWGQE-UHFFFAOYSA-N 425.254 5.112 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c(F)c1 9634942 HPYDCRRFDHJISU-UHFFFAOYSA-N 437.521 5.431 0 40 IKAB CSc1ccccc1NC(=O)CN(C)C(=O)c1cc(-c2cccs2)nc2ccccc12 9684387 QHKDPOWEFFTIOA-UHFFFAOYSA-N 447.585 5.396 0 40 IKAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCCC[C@H]1c1nc2ccccc2s1 9714275 FLLOYPQDHFVBCN-TWLJRWAQSA-N 428.561 5.308 0 40 IKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)CSc3ccc(C)cc3)nc12 9716973 OETRSWXGWIYNDO-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)c1ccc(Cl)c(Cl)c1 9794040 CABYPPWSQLXKDU-UHFFFAOYSA-N 429.712 5.584 0 40 IKAB COc1cc(-c2c/c(=N\c3nc(-c4ccccc4)c(C)s3)c3ccccc3o2)ccc1O 10000538 BYMWCJSHGYYIDW-NHFJDJAPSA-N 440.524 6.478 0 40 IKAB O=C(Cn1cc(SCc2ccc(Cl)c(Cl)c2)c2ccccc21)N1CCOCC1 10458115 WASYRCCBBNGHBS-UHFFFAOYSA-N 435.376 5.099 0 40 IKAB Cc1ccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C(C)(C)C)coc43)oc2=O)cc1 11867446 FIUNDQJRJDVYTN-UHFFFAOYSA-N 431.532 5.621 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 12401536 CNVYHWYQZCUBMC-OAHLLOKOSA-N 446.041 6.425 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 12447582 UYSCUCREJHMFBD-XMMPIXPASA-N 439.433 5.021 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 12567744 TVFWSBMFKDJEAK-AREMUKBSSA-N 440.547 5.001 0 40 IKAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)Nc1cccc(Br)c1 12619272 FWRFASOZFGKUND-BUHFOSPRSA-N 432.321 5.608 0 40 IKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)N3CCCSc4ccccc43)cc12 13040853 OTPXSXBZTMTJQK-UHFFFAOYSA-N 437.565 5.736 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)Nc4cccc(C)c4)n2)COC(C)(C)C3)cc1 13555813 MXMHDFNMCMCPDE-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB O=C(N1CCN(C/C=C/c2ccccc2)CC1)N1c2ccccc2Sc2ccccc21 13717275 LBRAIDWKTZNLNL-DHZHZOJOSA-N 427.573 5.740 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccc(OCc2ccccc2)cc1 14042488 COVXYXDISAIQLK-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cc4cc(Cl)ccc4o3)n2)cc1 14076329 LAZVQYWURNTBQP-UHFFFAOYSA-N 425.897 5.098 0 40 IKAB CCCCCc1ccc(C(=O)CCC(=O)OCC(=O)c2c[nH]c3c(CC)cccc23)cc1 14358054 PLNPTTCQNMMJGU-UHFFFAOYSA-N 433.548 5.852 0 40 IKAB Cc1ccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)cc1 14413434 VYBLDGMKXROZGB-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(-c2nc3ccccc3o2)cc1 14801974 CPEUFVUEEBFONL-UHFFFAOYSA-N 443.890 6.375 0 40 IKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc2ccccc2o1 15018956 TXUXFHHLJQVVTM-UHFFFAOYSA-N 428.517 5.595 0 40 IKAB CCCCSc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccccc2)s1 16752866 GFRRMVDTWUMPJL-GOSISDBHSA-N 449.557 5.287 0 40 IKAB O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1ccc(F)cc1 16768912 MSZWPSVDSDTWNB-UHFFFAOYSA-N 433.508 5.063 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)/C=C/c1ccccc1 17096636 SPZKKUDCTYXQBP-SDNWHVSQSA-N 429.570 5.798 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccc(F)c4)nc3c2)c(F)c1F 17098750 WLFQIPSQVWPEFT-UHFFFAOYSA-N 434.320 5.451 0 40 IKAB CC(C)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 17113392 KYTBNQFAQDMKHH-UHFFFAOYSA-N 447.629 5.973 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 19121828 NSXUIRRYRZKOIH-LJQANCHMSA-N 445.350 5.352 0 40 IKAB CC1CCC2(CC1)N=C(c1ccc(Cl)cc1Cl)C(=S)N2C(=O)c1ccccc1 20152260 NERWZMNARJVUNI-UHFFFAOYSA-N 431.388 6.172 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)CSc4ccc(Cl)cc4)c3)oc2cc1C 21578639 CTKHVGTWHVLRBL-UHFFFAOYSA-N 436.964 6.804 0 40 IKAB COc1ccc(C[C@@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1 22965696 FJTDFJOQJYSDEC-JOCHJYFZSA-N 448.544 5.063 0 40 IKAB O=C(c1cc(-c2ccncc2)nc2ccccc12)N1CCC(c2nc3ccccc3o2)CC1 23534422 IGJLRNMIZORXMM-UHFFFAOYSA-N 434.499 5.458 0 40 IKAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29602465 KQVYSICLKJRGKY-UHFFFAOYSA-N 440.478 5.387 0 40 IKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1[nH]c2ccccc2c1Br 32932588 RFBQJNNGAHQKGM-SFHVURJKSA-N 429.314 5.650 0 40 IKAB Cc1cc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)ccc1Cl 33413224 PRZVFLCICMSCFS-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2cc(Br)ccc2o1 33793276 PHAAWOXTGYXLLM-UHFFFAOYSA-N 448.773 6.419 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4)Oc4ccccc4[C@H]3C2)cc1 36352165 IXLFEJRZOYVRRZ-RSXGOPAZSA-N 432.951 6.761 0 40 IKAB CC(C)Oc1ccc(-c2nc(N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1 57063777 RCTQUXPOCDUBRW-UHFFFAOYSA-N 438.575 5.406 0 40 IKAB Cc1c(Br)cc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1Br 57331917 MSRCEXXEMFYLOA-UHFFFAOYSA-N 435.930 6.635 0 40 IKAB Cc1cccc(CN(Cn2nc(-c3ccc(F)c(F)c3)c3ccccc3c2=O)C2CC2)c1 57993000 ZTARKGNFYWDMPF-UHFFFAOYSA-N 431.486 5.272 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3c(Cl)c4ccccc4n3C)sc2C)cc1OC 61461974 NPBFOIXWVYCFRH-UHFFFAOYSA-N 441.940 5.533 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2ccc(C)cc2)CO4)cc1 61997701 IIGYKBIPJWULIA-UHFFFAOYSA-N 427.500 5.438 0 40 IKAB biogenic COc1ccccc1-c1noc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 67245393 XJXWWZKGMXKNAW-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)c(Cl)c1)c1cc(Cl)cc(Cl)c1 72112375 LBXDGMKUDVNKEO-UHFFFAOYSA-N 442.729 7.845 0 40 IKAB Cc1c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)oc2ccccc12 72394596 RXBSDQBPZJQWII-NRFANRHFSA-N 425.598 5.313 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccc(F)c1 79068419 VZUVIOWIFOIDCV-QHCPKHFHSA-N 425.463 5.032 0 40 IKAB O=C(NC[C@@H](Cc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749330 QRVQYTUVBNAWEX-QGZVFWFLSA-N 435.907 5.122 0 40 IKAB Cc1n[nH]c(/N=C/c2cc(Br)ccc2O)c1-c1cccc(Br)c1 101057640 XRSIGRZCVDMOGM-AWQFTUOYSA-N 435.119 5.366 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)c1 214607671 ODWDOQQVIMQENB-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 222414298 DQLGIJKDFKRCJS-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 222544244 VSMNSNSLNKNNQK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C 222661940 RXCDRNCCRKPRCY-TYCQWZJGSA-N 446.016 5.900 0 40 IKAB C[C@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 222965708 DPGFOASYJBOQFA-FQEVSTJZSA-N 431.601 6.228 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 223029198 OLJHIGUQVRWTQI-RTBURBONSA-N 447.044 5.214 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076672 YIIDRAKLBNJIGU-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223107140 DRBWDMMSPVUEHE-LOSJGSFVSA-N 445.636 5.244 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223269160 FDXKDQLALRQRNC-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 223313447 KOLAZIWITOIXAJ-GOSISDBHSA-N 449.422 5.568 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224002754 RLLFEGGIBRXKBD-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1C 224257420 OXXNFYVKNDYACM-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224284107 ZXTKLCZBJBFKKN-JOCHJYFZSA-N 445.028 5.298 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cc(C)cc(C)c1 224533181 XESKXNREKKQRSK-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1 224574979 UNDUDHYAHUFUDY-DNQXCXABSA-N 426.545 5.058 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1C 224575099 KKXOZZXCJIMPQJ-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 224583877 KSKCBLZNEZXRJY-XMMPIXPASA-N 440.653 5.198 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224858207 OHZRVMZXVABYHR-LJQANCHMSA-N 441.622 5.924 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 225516269 UXPQZZLVGSBGQG-ZJSXRUAMSA-N 440.653 5.340 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225555429 IAGBTRWBNIERHU-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1C(=O)OCC 225768082 VSXADOGUYSNEQE-UHFFFAOYSA-N 439.552 5.501 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccccc1Sc1ccccc1 225807111 FTFUYDDWEPYAAU-UHFFFAOYSA-N 435.936 6.113 0 40 IKAB O=C(NCCNc1ccccc1)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 257211133 BXPWUDMLVGFMSO-UHFFFAOYSA-N 432.539 5.060 0 40 IKAB CCCC(=O)N[C@@]1(C)C[C@@H](c2cc(Br)ccc2OC)O[C@H]2C[C@@H](C)CC[C@@H]21 257276274 NTBNVUBPNGSGKL-HRXUQERBSA-N 438.406 5.399 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1cccc(F)c1 408611031 PQZJOYFOHIPZHS-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)c(C)c1 408694262 HZPYZFFCTYNKDV-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1ccc(C(=O)O)cc1 409118537 RBTNGWBEUVJXCK-UHFFFAOYSA-N 440.337 5.901 0 40 IKAB Cc1ccc(C(=O)[C@H](OC(=O)c2cccc(NC(=O)c3ccccc3)c2)c2ccccc2)cc1 409182442 KWGHMCMLIKCQEI-HHHXNRCGSA-N 449.506 6.028 0 40 IKAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccccc1Cl 409344759 IHSTURHDDLZHSZ-UHFFFAOYSA-N 436.762 5.356 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409348060 OPWQGTMQSWYKLS-WBRURWICSA-N 438.549 5.156 0 40 IKAB Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](c1ccccc1)c1nc2ccccc2n1C 536260455 XDEHIDQTOFIRST-HSZRJFAPSA-N 437.503 5.448 0 40 IKAB CCn1nc(C)c(/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)c1C 606629655 DGHNSOORNPGMCA-YGYURLTQSA-N 426.645 5.278 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(Cc2cc3ccccc3n2C)Cc2ccccc21 643563351 SGOCYUKXFAXHBT-UHFFFAOYSA-N 431.624 6.134 0 40 IKAB Cc1nc2ccc(NC(=O)C(C)(C)C)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 930720 GJEDJLKZXFKRSC-UHFFFAOYSA-N 425.532 5.405 0 40 IKAB Cc1cc(OCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)ccc1C(C)C 946939 SNQOYDFGIKADTK-UHFFFAOYSA-N 445.382 6.022 0 40 IKAB COc1cccc(C(=O)c2sc3nsc(SCc4ccc(F)cc4)c3c2N)c1 1036458 ZWNGFXVKIUCDGJ-UHFFFAOYSA-N 430.551 5.611 0 40 IKAB O=C(O)c1nnn(-c2ccccc2Oc2ccc(Cl)cc2Cl)c1-c1ccccc1 1048949 RALKBLVKOOIFCP-UHFFFAOYSA-N 426.259 5.732 0 40 IKAB COc1ccccc1-c1ccc(Cn2c(C)nc3cc(NC(=O)C(C)(C)C)c(C)nc32)cc1 1336301 MHWHAHMEVBSEDG-UHFFFAOYSA-N 442.563 5.757 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2cccc(F)c2)s1 1365985 FSJQZQXVCKVOCW-SFHVURJKSA-N 442.478 5.281 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@H](c2ccc(Cl)cc2)NC(=S)N1 1383238 VBPUWSOQKBHDAT-INIZCTEOSA-N 426.756 5.078 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 2052154 UBQZWVIVRGJKBU-UHFFFAOYSA-N 436.364 6.195 0 40 IKAB COc1ccccc1CNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2122391 GORIKCCEOSFYQE-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1cc(C)c(Cl)c(C)c1 2126449 GTPLILSXFKDWLW-UHFFFAOYSA-N 436.964 6.559 0 40 IKAB CCOc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(OC)cc2)cc1 2337940 GZCSYRLRXXMFTQ-JXMROGBWSA-N 443.572 6.147 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 3012820 LJYHGXUHYGLEGL-QZTJIDSGSA-N 436.522 5.796 0 40 IKAB O=P1(N2CCN(c3ccccc3)CC2)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174514 NXECZOXVKFLGLH-UHFFFAOYSA-N 444.540 6.831 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 3295711 VMTWXDQONBWTOV-UHFFFAOYSA-N 442.584 6.538 0 40 IKAB C[C@H](OC(=O)c1ccccc1NC(=O)c1ccco1)C(=O)Nc1cc(Cl)cc(Cl)c1 3311247 JUXQELMCTJKTDU-LBPRGKRZSA-N 447.274 5.023 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3341339 AWLFCSHPQSGIEZ-UHFFFAOYSA-N 440.893 6.145 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864152 BILTULWMNASAJV-ROUUACIJSA-N 441.549 5.123 0 40 IKAB COc1ccc(C(O)(c2ccc(OC)cc2)c2ccccc2Cc2ccccc2OC)cc1 5700882 JNNKPKVMHGFDDM-UHFFFAOYSA-N 440.539 5.587 0 40 IKAB O=C(CCCCCCCCCCC(=O)NCCC1=CCCCC1)NCCC1=CCCCC1 5829976 GNUVHZTVYXYKSM-UHFFFAOYSA-N 444.704 6.901 0 40 IKAB Cc1nn(-c2ccc(C(F)(F)F)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)NC2CCCCC2)C1 8624039 OBHWJQWTIIRDSC-YLJYHZDGSA-N 446.517 5.552 0 40 IKAB biogenic,in-vitro COc1ccc(N2C(=O)N[C@@H](c3ccc(F)cc3)C(C(=O)Nc3ccccc3)=C2C)cc1 8748972 FSGFYGZDHWBAML-QHCPKHFHSA-N 431.467 5.018 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc3ccccc23)CC1=O 8828142 SNCUBBQBOPILER-QFIPXVFZSA-N 447.538 5.767 0 40 IKAB Cc1csc(S[C@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 8894959 PDISZDMWAJNWDT-DYVFJYSZSA-N 431.970 5.556 0 40 IKAB Cc1[nH]c(SCC(=O)NC(c2ccccc2)c2ccccc2)nc1Cc1ccccc1 9056124 ZXXBWALFZGSXTC-UHFFFAOYSA-N 427.573 5.307 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 9096382 CZMXPLKOAJVGGV-ZDUSSCGKSA-N 442.302 5.280 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4cccc5ccccc45)nc3c1[C@H]2c1ccccc1 9158988 COFGMRWGNZDKOF-DEOSSOPVSA-N 442.478 5.936 0 40 IKAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1 9184977 GOGWIYUJDRMCCC-UHFFFAOYSA-N 425.517 5.585 0 40 IKAB COc1ccc(CN(Cc2ccco2)C(=O)[C@H](C)Oc2cc(C)c(Cl)c(C)c2)cc1 9204907 RKBFZJYOBOPENJ-SFHVURJKSA-N 427.928 5.555 0 40 IKAB CC(=O)[C@@H](Sc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccc1)c1ccccc1 9387278 RHAKFSNVSQJAEA-OAQYLSRUSA-N 434.586 5.546 0 40 IKAB S=C(Nc1ccc(Br)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1 9391117 LSXHVMXYXQZAGH-IBGZPJMESA-N 446.801 5.706 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Cl)cc1Cl 9413851 OTSXPPHYTDLGPN-UHFFFAOYSA-N 443.261 6.383 0 40 IKAB N=C1S[C@@H](Cc2ccccc2Cl)C(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 9440501 LNQNBPCLTDUUDR-KRWDZBQOSA-N 448.400 5.667 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 9546531 KRRCXFVDSBDXPF-RUZDIDTESA-N 439.515 5.467 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(C(F)(F)F)cc3C3CC3)n2)cc1 9597972 XOWVUKAUILGZQL-UHFFFAOYSA-N 428.336 5.253 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3nnc(SCc4ccccc4F)s3)cc2)n1 9632103 OUPQAQLBYBIMCH-UHFFFAOYSA-N 439.541 5.024 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)Nc1ccccc1C(F)(F)F 9632905 WXWYUILITONWEP-UHFFFAOYSA-N 442.437 5.318 0 40 IKAB COc1ccccc1-c1nnc(SCc2cn3cccc(C)c3n2)n1C1CCCCC1 9715022 IGXPAHOKXBTQMV-UHFFFAOYSA-N 433.581 5.707 0 40 IKAB CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1 9856207 UVGPCKQKSNYPGY-UHFFFAOYSA-N 444.918 5.087 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(SC3=NCCS3)n2)c(C)c1 9971073 MQKZNUMYKCDZRW-UHFFFAOYSA-N 436.610 5.787 0 40 IKAB CCCC(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCCC2)cs1 12242062 FYCTZUMLTNEKKM-UHFFFAOYSA-N 425.598 5.433 0 40 IKAB CC1(C)C=C(/C=C/c2ccccc2Cl)n2c(s/c(=C\c3ccc(Cl)cc3)c2=O)=N1 12402096 SRVNOMMGNHIPKV-RDVIPMJXSA-N 441.383 5.012 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc(Br)c1OCc1ccccc1 12624287 FOGYBDDQZQKYTQ-UHFFFAOYSA-N 442.309 5.303 0 40 IKAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2)[C@@H]1C 12657112 SOJJWOFKQNSRPW-LZJOCLMNSA-N 429.944 5.017 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccccc1Cc1ccccc1 12885678 OKYRJXQHRQBPAZ-UHFFFAOYSA-N 427.331 5.295 0 40 IKAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 13057403 FKFQBDKFTAQOCO-BVAGGSTKSA-N 428.532 5.435 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)COC(=O)CSCc1ccc(Cl)c(Cl)c1 13059308 HYIVYVULCCYJKK-UHFFFAOYSA-N 432.756 5.370 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)nnc1C(F)(F)F 13101656 JNTQQQDLTXDEKL-UHFFFAOYSA-N 442.850 5.010 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@@H]2C)cc1 13138037 RQPRFKUNZKSXGL-KKSFZXQISA-N 439.556 5.819 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1cccnc1 13424505 ZMXMASNXWREISL-UHFFFAOYSA-N 433.536 6.791 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1cccs1 13498229 PKCSUIXWLBVQJA-AREMUKBSSA-N 446.616 5.428 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(SCc2ccc(F)cc2)ncc1Cl 13623827 FDTJKGMZEDIXOD-UHFFFAOYSA-N 442.730 6.121 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2cccc(Cl)c2)o1 14270342 ZVYMZGRUDDDISI-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1F 16713347 FIINJACLQZSBJN-UHFFFAOYSA-N 443.956 6.190 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)NCc1ccc(F)cc1 16841170 KKYCPMZGXMFHCD-UHFFFAOYSA-N 442.519 5.097 0 40 IKAB COc1ccccc1-c1nn(-c2cccc(Cl)c2)c(-c2ccccc2OC)c1Cl 17094290 WJHFGHZYZOEWAG-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4C)cc3O)nc2c1 17097553 QYXLZMQJISUUDX-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CCCCN1CN(c2nc3ccc(C)cc3s2)CN(c2nc3ccc(C)cc3s2)C1 17101661 ANRDJQLGVPTUSZ-UHFFFAOYSA-N 437.638 5.824 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)s1 19216916 ARWRJNKTCPYLIV-OAQYLSRUSA-N 441.560 5.629 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)c(C)c1 19634377 NYYYWNIOXYXLCB-QZTJIDSGSA-N 441.549 5.203 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@@H](C)O4)c2)cc1 19690664 GHSOSVZEPXRKMO-NIYFSFCBSA-N 442.559 5.295 0 40 IKAB CN1CCc2nc3sc(C(=O)Nc4ccc(Cl)cc4)c(N)c3c(-c3ccccc3)c2C1 19889368 BSUBHIPYCVXNAS-UHFFFAOYSA-N 448.979 5.439 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1C 20192430 JMESXJBPGPACPU-QHCPKHFHSA-N 438.593 5.755 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20485240 AMTIJGRHXOLVAQ-XMMPIXPASA-N 430.548 5.698 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccnn3Cc3cccc(Cl)c3)c12 22139860 USIOYRBCJIALBS-UHFFFAOYSA-N 443.894 5.349 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1nc(-c3ccsc3)no1)CC2 23989296 IVZLMKDJORIDPN-NRFANRHFSA-N 439.562 5.025 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(CN(C)Cc3ccc(Cl)s3)cc(=O)c12 23994761 GTYDYJQYNGCDDL-UHFFFAOYSA-N 433.364 5.023 0 40 IKAB CCCc1nc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cs1 25058792 QZRUQNWLUMCIJQ-INIZCTEOSA-N 445.633 5.655 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cn(Cc2ccccc2)c2ccccc12 25276480 ZNHXNXXMHILARS-UHFFFAOYSA-N 440.503 5.385 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 27920706 LCLPQFFQWYXIQX-UHFFFAOYSA-N 448.544 5.065 0 40 IKAB Cc1nn(Cc2cccc(C(=O)Nc3ccc(Cl)cc3F)c2)c(C)c1Br 27970686 LVBULPAMLAPLMD-UHFFFAOYSA-N 436.712 5.356 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2cc1C 28288995 PPPOHVNUOPIHMY-NRFANRHFSA-N 438.955 5.020 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 28289553 QYRUNJFBJQIXQJ-HSZRJFAPSA-N 446.591 5.274 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c1 32691804 BMMIHIBEXBVFAC-UHFFFAOYSA-N 425.557 6.158 0 40 IKAB COc1cc(NC(=O)[C@@H]2CCCC[C@H]2c2nc3ccccc3s2)cc(OC)c1OC 32721998 BFFCBBGQSLYNDL-HZPDHXFCSA-N 426.538 5.235 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](NC(=O)c1ccccc1Cl)C(C)C 33710732 RUGLPEAXFHQXOB-HXUWFJFHSA-N 443.016 5.679 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccccc2)cc1 44086010 HGUYPTKDOLVFOP-UHFFFAOYSA-N 441.556 5.229 0 40 IKAB COc1ccc(C2=N[C@H](c3ccc(Br)cc3)N=C(c3ccccc3)S2)cc1 59488718 HAOCVUPWBGQENG-HXUWFJFHSA-N 437.362 6.097 0 40 IKAB O=C(Nc1cccc(Br)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64872338 DUWWJFHNZHARLR-UHFFFAOYSA-N 441.325 6.360 0 40 IKAB COc1cccc(Cc2cccc([C@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)c1 72358021 RERAFROYGVXJCJ-AREMUKBSSA-N 425.532 5.069 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)Cn4ccc(C)n4)C3)c(-c3ccncc3)c2c1 72396816 SQFSQRNYHQNALC-SIKLNZKXSA-N 441.579 5.086 0 40 IKAB CCCCN1C(=O)CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@H]1c1ccccc1OC 95436499 KISBGDCWVGIFRI-XUZZJYLKSA-N 447.535 5.069 0 40 IKAB CC(C)[C@@H](O)P(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 100321153 ITBZCTBEJMCLOU-GCWMNCCDSA-N 430.610 7.109 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102731589 YWUHXCWFBDRRAC-SZNDQCEHSA-N 425.315 6.898 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)ccc1OC 106722745 MCYHXKARGRQMSJ-WQRHYEAKSA-N 448.338 5.093 0 40 IKAB Fc1ccccc1COc1ccc2ccccc2c1CNc1ccc(Br)cc1 106955214 ROHGLJCEIHPJPN-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OCC)c1 216830529 YUIABYYGDQKZHT-UHFFFAOYSA-N 431.685 5.396 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 222411285 UCYPITJWFSQVLP-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223282696 QVYSFIRXRMLPGA-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223605285 QUZCQSZFWUPXPG-HSZRJFAPSA-N 438.612 5.087 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1ccc(OCc2ccccc2Cl)cc1 223615459 IGXKJNCXZZZKJJ-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB CN(c1ccccc1C(=O)Nc1ccc2c3c(cccc13)CC2)S(=O)(=O)c1ccccc1 223865390 VXGIELGTSCLNBX-UHFFFAOYSA-N 442.540 5.016 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223916082 SCJDEJDWEPMFAU-RPBOFIJWSA-N 439.588 5.115 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 223983645 DUTOZNRXIONPDG-GOSISDBHSA-N 426.605 5.398 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224013896 AAPKWUBSQYTKFS-MHZLTWQESA-N 442.603 5.012 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1Cl 224157854 SVTZLIQIAAAOBN-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1ccc(Cl)cc1 224506296 WUINRYSMDAOQAT-INIZCTEOSA-N 427.903 5.948 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cc(C)cc(C)c1C 224612192 GCMAOHPWJVASRN-UHFFFAOYSA-N 435.589 6.564 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224666409 ZMHJTVDMDSPXAF-IBGZPJMESA-N 441.015 5.311 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 224704443 SIQUJUCEPLGJIX-QFIPXVFZSA-N 447.044 5.153 0 40 IKAB CCC1(CC)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 224871430 GSNAZFNFBZRYSK-QHCPKHFHSA-N 441.015 5.751 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2cccc(Br)c2)o1)c1ccc(Cl)cc1 224891319 UWMBIACFWOUQEQ-CYBMUJFWSA-N 433.733 5.568 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 224946432 MCZHCICQFAKVHI-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225048142 SXPQWRJFTABRMF-VXKWHMMOSA-N 430.592 5.413 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 225547685 FWOJZRKCVOWRCR-QPPBQGQZSA-N 440.653 5.340 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225628520 MONUVAPHOZPCKK-AUSIDOKSSA-N 429.004 5.303 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)c2ccccc2)c1 257207337 BHHNLIHDKANHCU-SFHVURJKSA-N 437.923 5.515 0 40 IKAB CCC(CC)C(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCC3)CC2)C1 257218492 DDIKWIPIDLARMW-UHFFFAOYSA-N 440.672 6.037 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)cc2s1 257258716 KVFAMKDNRRVXQN-QHCPKHFHSA-N 447.991 6.221 0 40 IKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(N3CCCC3=O)cc2)C1 257308919 TYSYSPGGHUNDRY-FBLLAGFSSA-N 440.971 5.345 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257322657 WGWMGEBACAJMPO-SFHVURJKSA-N 431.467 5.079 0 40 IKAB Cc1cccc(Nc2cccc([C@@H]3CN(Cc4nc5ccccc5n4C(C)C)CCO3)n2)n1 257324775 WQCLBONXVIWERH-QHCPKHFHSA-N 442.567 5.033 0 40 IKAB CN1C(=O)CCC[C@]12CN(C(=O)[C@H](c1ccccc1)C1CCCC1)C[C@H]2c1cccc(F)c1 257341863 ZMFKYHCNBAGFOL-DKRHUIDYSA-N 448.582 5.107 0 40 IKAB CCC1(CC)C[C@H](NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 260843360 QSSYGAMKRJMJQA-REWPJTCUSA-N 441.015 5.751 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408563213 ACMILXISDZBEIV-ZKBLOPICSA-N 446.616 5.159 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1Cl 408695406 QKNZXJOUTRYKOU-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 408921369 GWMKGLDMOCOYIS-FMIVXFBMSA-N 428.384 7.246 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)c1 409104890 KSKNDWDBVQWJHS-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc(C)c2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265383 BABROZOEFKLRGM-UEOMBKFZSA-N 438.564 5.824 0 40 IKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1cccc(OCC(=O)NC(C)(C)C)c1 585294728 IIGKRELDDBFUBC-OPHFCASCSA-N 444.015 6.151 0 40 IKAB CC(=O)O[C]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC=C(n5cnc6ccccc65)[C@@]4(C)CC[C@@H]32)C1 1560406048 DFCSWAXXEUKRSW-HVTZTZCHSA-N 429.584 6.545 0 40 IKAB CCn1cc([C@@H](C)NC(=O)c2cccc(COc3ccc(Cl)cc3Cl)c2)c(C)n1 652576 VDJHGBCDQJGVRC-CQSZACIVSA-N 432.351 5.588 0 40 IKAB Cc1[nH]c2ccc(OC(F)(F)F)cc2c1CCNC(=O)c1cc(F)c(F)cc1Cl 718725 VDBIBYQPNVBFQN-UHFFFAOYSA-N 432.776 5.279 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 884468 LIUXBCJHBDTOGI-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB NC(=O)c1cc(-c2csc([C@@H]3COc4ccccc4O3)n2)ccc1OCc1ccccc1 910049 YNHSRUGJLDWTIA-QHCPKHFHSA-N 444.512 5.001 0 40 IKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)Nc3ccccc3OC)c2c1 922176 ZZXXURYNWCADMW-UHFFFAOYSA-N 443.572 5.907 0 40 IKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Br)ccc4n3)o2)cc1Cl 934740 UZAYCVDPMJHFGW-UHFFFAOYSA-N 442.696 6.584 0 40 IKAB O=C(c1sc2cc(Cl)ccc2c1Cl)N1CCN(c2cccc(Cl)c2)CC1 1003111 HPQMODQDCXVHFZ-UHFFFAOYSA-N 425.768 5.824 0 40 IKAB O=C(Oc1c(Br)cc(-c2ccccc2)cc1Br)c1ccccc1 1621426 PUDIZKUOYKPASB-UHFFFAOYSA-N 432.111 6.098 0 40 IKAB Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCc5ccccc5)nnc23)CCC4)c1 1803169 NDCITTCHGWLARU-UHFFFAOYSA-N 444.585 5.184 0 40 IKAB O=C(CCn1nc(-c2ccccc2)c2ccccc2c1=O)Nc1cccc(C(F)(F)F)c1 2245127 SAZPRIHKXDGMCQ-UHFFFAOYSA-N 437.421 5.111 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1ccc(Cl)cc1 2395947 UKDZCGOCVPUEMV-UHFFFAOYSA-N 430.942 5.032 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1c(Cl)cccc1Cl 2415427 KCJYQLGUHSFDIF-NFQMXDRXSA-N 430.312 5.717 0 40 IKAB CC1=C(c2ccc(Cl)cc2)N=C2N=C(C(F)(F)F)NN2[C@@H]1c1ccc(Cl)cc1 2647872 BXHRQAGOXQFHKI-INIZCTEOSA-N 425.241 5.616 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2Nc2cc(C)ccc2C)cc1 3085499 XJWOLTBRPFHOPK-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=S)Nc2ccc(SC(F)F)cc2)cc1 3256833 BRVNMJSDHWUDBX-UHFFFAOYSA-N 443.588 7.357 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(OC(F)F)cc1 3272423 FLTAKZFJCFDQJZ-UHFFFAOYSA-N 448.425 5.299 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1c(Cl)cccc1Cl 3289548 GZJUZSOHPHIZBL-UHFFFAOYSA-N 430.316 5.683 0 40 IKAB Cc1cc(C)nc(-n2nc(C)c3cc(-c4nc5ccccc5s4)c(-c4ccccc4)nc32)n1 3305024 TWSJAJNGJZNAOU-UHFFFAOYSA-N 448.555 6.079 0 40 IKAB Cc1ccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 3326779 HHNXQMBDTBWZSK-GOSISDBHSA-N 427.759 5.738 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccc(N3CCCCCC3)cc2)n1C1CCCCC1 8191235 LQHTZTNCZWGIIO-UHFFFAOYSA-N 427.618 5.203 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(=O)n(-c6ccccc6)cnc5c24)CCCC3)cc1 8450784 BIBVLDADKLVYGZ-UHFFFAOYSA-N 439.540 5.550 0 40 IKAB COc1ccccc1/C=C(/CC(=O)NCc1ccc(F)cc1)c1nc2ccccc2s1 8774801 HYFYZMCEZCDXNO-RGEXLXHISA-N 432.520 5.691 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 8831088 DFDSBHYEJKFMPT-FPYGCLRLSA-N 442.780 5.783 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 9309458 DXVZOGFXNJWLME-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccccc1)N2 9346213 OQQJQJAWBFNHGR-MEBAVKDDSA-N 439.494 5.215 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2c(F)cccc2Cl)cc1C 9518406 LXABIHGSAMFZLG-UHFFFAOYSA-N 436.870 6.347 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)cc1C 10010907 ZVSBGMFKEQXVCK-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2SCc2ccccc2)sc2c1CCCC2 10690973 VSUMXVCNSFZQAX-UHFFFAOYSA-N 437.586 5.958 0 40 IKAB COc1ccc2c(C)cc(S[C@@H]3CCCCN(C(=O)c4ccc(F)cc4)C3=O)nc2c1 12541278 OOYQLYGZIMONNL-OAQYLSRUSA-N 438.524 5.005 0 40 IKAB Clc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1Cl 12562739 OQHLPNXTJHDWEO-UHFFFAOYSA-N 439.392 7.802 0 40 IKAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC12CC3CC(CC(C3)C1)C2 12658194 XZSGOAINOJPZLP-ZSBIDBKNSA-N 441.619 6.524 0 40 IKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C 12777669 SNODRRZDEFAUBG-IBGZPJMESA-N 428.561 5.369 0 40 IKAB COc1cccc([C@@H](CNC(=O)c2sc3cc(F)ccc3c2Cl)N2CCCC2)c1 12788204 VZGMOCKVOSVRKM-GOSISDBHSA-N 432.948 5.269 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N(C3=CCCCC3)C3CC3)n2Cc2ccco2)c1 12952751 OEYRVANPSDRLIB-UHFFFAOYSA-N 448.592 5.436 0 40 IKAB COC(=O)c1c(NC(=O)CSc2nc3cc(Cl)ccc3s2)sc(C)c1C 13070984 KWHBJCUZTZERSP-UHFFFAOYSA-N 426.972 5.145 0 40 IKAB CCn1c(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)nnc1-c1cccs1 13098835 IFLCFIBDDYUZDC-JOCHJYFZSA-N 444.585 6.224 0 40 IKAB CCOc1ccc(-n2c(SC[C@@H]3CCCCO3)nnc2-c2ccc(Cl)cc2)cc1 13134219 IMBAMUBFFGYXCS-FQEVSTJZSA-N 429.973 5.648 0 40 IKAB COc1ccc2c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)cc(=O)oc2c1 13134579 BRDYRBICIBDNOM-UHFFFAOYSA-N 448.978 5.724 0 40 IKAB Cc1ccc(-c2noc(CCCCCNC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 13145909 XYRYQBUUJCVLPY-UHFFFAOYSA-N 433.339 5.886 0 40 IKAB Cc1ccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2-c2ccc(Cl)cc2)cc1 13149359 OAZHKWJLPDAGAG-UHFFFAOYSA-N 448.935 6.436 0 40 IKAB Cc1ccccc1NP(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 13305182 ZXCSHVYQIKZAQV-QLBLWQCWSA-N 428.299 8.160 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(Cl)c1 13502418 ADJUDZQDQJQPQP-XMMPIXPASA-N 447.966 5.572 0 40 IKAB CC(C)c1ccc([C@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 13591942 CYFIBHIFEMUXHU-DEOSSOPVSA-N 436.914 5.724 0 40 IKAB Cn1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc2cc(Oc3ccccc3)ccc21 14008829 AHBVJOAMRJSPHZ-UHFFFAOYSA-N 429.495 5.072 0 40 IKAB CCCc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(OC(F)(F)F)cc2)o1 15881454 MEWYRUZHEZIOPI-UHFFFAOYSA-N 444.413 5.181 0 40 IKAB CCCCOc1ccc(C(=O)O[C@H](C(=O)Nc2ccccc2OCC)c2ccccc2)cc1 15978161 AITWSBYFRIMUQY-VWLOTQADSA-N 447.531 5.801 0 40 IKAB Cc1c(C(=O)Nc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)oc2ccccc12 16266655 PEPOFAIRZLDGNB-UHFFFAOYSA-N 438.405 6.265 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)COc1ccc(Cl)cc1 16284361 IKFMOZDYLXGTQQ-UHFFFAOYSA-N 442.906 5.553 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 17096116 SYAONAWYYYWIOR-INIZCTEOSA-N 428.598 5.139 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc3c(Cl)cccc23)sc(C(=O)OC)c1C 17097719 MMHXUEPJZIZKDP-UHFFFAOYSA-N 431.897 5.079 0 40 IKAB CCOc1ccc(Nc2nc(NCc3ccccc3)nc3c2cnn3-c2ccccc2)cc1 17308035 SSNFXSKPLGRFDB-UHFFFAOYSA-N 436.519 5.570 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19081263 YIEFDCCMSNHBAZ-SFHVURJKSA-N 433.531 5.173 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)c2ccc(COC)cc2)n1 19525579 ABSALJKUEHOPCW-JOCHJYFZSA-N 448.567 5.215 0 40 IKAB CCOc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 19532467 HPMDLLFMLUYPQP-BKMJKUGQSA-N 449.639 5.085 0 40 IKAB Cc1c(C(=O)N2CCC(c3nnc(-c4nccc5ccccc45)o3)CC2)oc2ccccc12 19566092 IOWVYJBWYKEJKT-UHFFFAOYSA-N 438.487 5.359 0 40 IKAB CC1(C)Cc2c(c(N3CCCC3)nc3sc4c(NCc5ccccc5)ncnc4c23)CO1 20029475 XICDLURVPKQXPH-UHFFFAOYSA-N 445.592 5.303 0 40 IKAB Cc1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1Cl 21595297 VQXBGYHMLOGLGH-UHFFFAOYSA-N 435.376 6.297 0 40 IKAB Fc1ccccc1COc1ccc(Cl)cc1CNn1c(-c2ccncc2)n[nH]c1=S 22111094 WQACTKDPRKXZNE-UHFFFAOYSA-N 441.919 5.118 0 40 IKAB COc1ccc(NC(=O)c2ccccc2CSc2nc(C)cs2)cc1OC(F)F 24748755 UMUXRLDGOQAVKS-UHFFFAOYSA-N 436.505 5.606 0 40 IKAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Nc4ccc(F)c(Cl)c4)c23)C1 25764423 VCTGSGFPDZJRFC-CYBMUJFWSA-N 446.979 5.184 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(-n2cnc3ccccc3c2=O)cc1 32727087 GAWYCDDGJNZTMI-UHFFFAOYSA-N 433.467 5.430 0 40 IKAB CC[C@@H](CNC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 32736584 GPQZWIPBQXEOOR-HOTGVXAUSA-N 442.610 5.081 0 40 IKAB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)S2)c(OC)c1 35042877 DJHYANYQQLSIGO-NDENLUEZSA-N 440.908 5.700 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cc(C)ccc3C)c(OC)c2)cc1 35151458 DXRAWLRDYFUYRR-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)(F)F)cc(-c3ccc(C(C)C)cc3)nc21 36616713 SJDHPWGBKDZLBR-UHFFFAOYSA-N 431.458 5.681 0 40 IKAB COC(=O)c1cccc(NC(=O)c2scc(-c3ccc(OC)cc3)c2-n2cccc2)c1 38654690 OXPFYPREIAYJQK-UHFFFAOYSA-N 432.501 5.253 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 38756475 MVNAPPMRUXPLOK-UHFFFAOYSA-N 430.617 5.611 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38835520 UNPLUBPPRIJYSS-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB CCn1c(SCc2cc(Cl)ccc2OCc2cccnc2)nnc1-c1ccco1 40134572 DAMKNQOAPJWHOQ-UHFFFAOYSA-N 426.929 5.478 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@@H]2c2ccc(Br)cc2)cc1 40485971 RKOPATAWJSSRJR-HXUWFJFHSA-N 440.293 5.104 0 40 IKAB CCc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(Cl)cc3)c3ccccc3c2=O)cc1 49421470 PDLIEAVIJFEKMP-UHFFFAOYSA-N 444.918 5.087 0 40 IKAB C[C@H]1C[C@H](C)CN(Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1 57740268 MWBRWQVMOTXTMX-OALUTQOASA-N 430.983 6.219 0 40 IKAB Cc1ccc(COc2ccc([C@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 59409079 UCZNKDIGLSGONE-QFIPXVFZSA-N 439.378 6.033 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230052 DENPFPUBTGMQAN-OAQYLSRUSA-N 446.728 5.202 0 40 IKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2cccc(Cl)c2)cc1 89638801 GGYDSVCFHDQDQP-QFIPXVFZSA-N 445.371 5.842 0 40 IKAB COc1cccc(-c2ccc3nc(C4CCN(CC5CCCCC5)CC4)nn3c2)c1OC 96155842 NVGWYGSQJNFMAH-UHFFFAOYSA-N 434.584 5.173 0 40 IKAB Cc1cc2c(cc1C)N[C@@H](c1ccc(Br)cc1)C1=C(O)CC(C)(C)CC1=N2 101073213 KXTRRAANNZFXSC-QFIPXVFZSA-N 425.370 6.937 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 102665814 WOUXPYKSHMSUPC-RCDICMHDSA-N 436.899 5.014 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1cccc(C)c1 106680748 WWXGCCZXJUVAPX-IWIPYMOSSA-N 445.540 5.819 0 40 IKAB CCOC(=O)CN1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 205676650 IQFPOIFFHXQFSQ-HYARGMPZSA-N 447.512 5.018 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220434143 QLXYCFUMZLBQGD-CQSZACIVSA-N 443.396 5.218 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 222631628 CQDVXTDWHGFQRT-OUWQEXSBSA-N 430.360 6.238 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223811472 OCTCKKDKMSHAPY-JOCHJYFZSA-N 448.651 5.701 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 223950071 ZIXPZMLCIWFDPQ-FQEVSTJZSA-N 430.614 5.359 0 40 IKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NCC(C)C)c1 224171547 JIABFWHRPLXGAO-JOCHJYFZSA-N 430.592 5.270 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1 224198024 CTWLXSRDNOUFQZ-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224258861 CRZISYVUKLZHRK-SANMLTNESA-N 442.603 5.092 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccs1 224539328 CFBZIMHIPCWKSB-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1C 224631913 PFZCLHWEHFCFNA-LOSJGSFVSA-N 440.572 5.698 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224972599 GKPKLURDOVZQFF-QFIPXVFZSA-N 449.422 5.158 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225114519 VFPPANZMWYLCJK-FGZHOGPDSA-N 436.640 5.557 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225274941 OOAWSSMTGAHJSI-ROUUACIJSA-N 449.422 5.485 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225357391 UICKSCJGRMHAQN-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3SCc3ccccc3)s2)cc1 225403518 BAOBNFZFPVRERL-UHFFFAOYSA-N 433.558 5.758 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225652243 RERRGOPGEGKVBV-SANMLTNESA-N 432.649 6.036 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225695470 PQJBUOQWUYHOHL-VGSWGCGISA-N 449.422 5.566 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(CSc2ccccc2)cc1 225703457 NAHUKYMPHFZGBN-DEOSSOPVSA-N 434.630 6.352 0 40 IKAB CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@H]45)[C@@H]32)c2ccccc21 257199327 ZSAFBTBLHQRTRB-NANZAVOOSA-N 445.651 5.576 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 257200326 ACWJEKFKWHWQFV-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB CCC(CC)C(=O)N1CCC[C@@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 257285776 PIVLBYRBXXEBEG-RUZDIDTESA-N 449.035 5.166 0 40 IKAB Cc1cccc(-c2cccc([C@H]3CCCN(C(=O)C4(c5ccccc5)CCOCC4)C3)n2)c1 257313058 UQVKKVRYZGOKMO-DEOSSOPVSA-N 440.587 5.511 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257313341 URYWJBNAEVRNEX-QGZVFWFLSA-N 430.961 5.093 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 263586804 YDALVHZEAQLAMC-XMMPIXPASA-N 443.547 5.210 0 40 IKAB biogenic CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Br)cc1 408561363 IIAJJBSIAAWCGN-FLFQWRMESA-N 447.373 5.832 0 40 IKAB COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 408573200 IZKQSTRYHCZXCC-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Fc1ccc(NCc2cc(Cl)c(OCc3ccccc3F)c(Cl)c2)cc1Cl 408611440 SDKYGXWTGHAKNQ-UHFFFAOYSA-N 428.693 7.116 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4Cl)c3)C(=O)[C@@H]2C1 408675161 AEIRVMHAQANUMA-HZPDHXFCSA-N 429.303 5.091 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1Cl 408696510 AJIYIWRBHTWDIU-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(F)cc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408727977 YVRZTGLTRAASNQ-UHFFFAOYSA-N 447.513 6.906 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Br)c(Sc3ccc(Cl)cc3)o2)C1=O 409069483 JEBMFRZEHUPUHH-MDWZMJQESA-N 444.759 5.903 0 40 IKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1 409117553 NPSPVMSTXFJSRB-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)c2ccccc21 409118910 QRJKGUYKSWMGEE-ZHZULCJRSA-N 438.354 6.870 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409247267 LVAHGIRXNHMLRV-RVDMUPIBSA-N 425.984 5.626 0 40 IKAB Oc1nc(-c2cc(Br)ccc2OCc2ccccc2Cl)nc2ccccc12 409265316 SDSBXKPGKKSZOC-UHFFFAOYSA-N 441.712 5.997 0 40 IKAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@@H](C)c3ncc(-c4ccccc4)o3)c12 606871124 BPKSLEQZJFOTAK-KRWDZBQOSA-N 437.503 5.090 0 40 IKAB CC(C)c1ccc(CN2CCC3(CCCCc4ccccc4OC[C@H](C)NC3=O)CC2)cc1 643563631 HKHPHRBVSDFXAP-QHCPKHFHSA-N 448.651 5.702 0 40 IKAB CC[C@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl 677207 HWEIBQNKLLVIHJ-AWEZNQCLSA-N 436.865 5.473 0 40 IKAB COC(=O)c1cc(Oc2nnc(-c3ccc(C)c(C)c3)c3ccccc23)cc(C(=O)OC)c1 719330 GCMQCKTUECEZMI-UHFFFAOYSA-N 442.471 5.279 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O 894876 KKWRJZUDFQNTQC-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(Cl)cc2)NC(=O)N1Cc1ccccc1 956361 VVHHAZCCFUTJML-DEOSSOPVSA-N 446.934 5.624 0 40 IKAB COc1ccc(OC)c(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 1339851 MOEQUVCKTYBKCY-UHFFFAOYSA-N 444.556 5.574 0 40 IKAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)c1ccccc1 1363194 DIGQDADBRHZVFA-UHFFFAOYSA-N 429.907 5.228 0 40 IKAB CCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C)c(Cl)ccc23)cc1 1777826 KSYPMSWOOAXBTD-UHFFFAOYSA-N 440.927 6.074 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(OC)c2)sc(C)c1-c1ccc(Cl)cc1 1974000 TZMWDVPLLGGTLP-UHFFFAOYSA-N 429.925 5.815 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)cc2oc1=O 2149630 WZWAQWDEGGLNOW-UHFFFAOYSA-N 435.303 5.483 0 40 IKAB biogenic Clc1ccc2c(c1)[C@]1(c3ccccc3)Nc3ccc(Cl)cc3[C@]1(c1ccccc1)N2 2331899 BWPUWJJVPMKKOU-UIOOFZCWSA-N 429.350 7.032 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 2360286 PTPYUTFVMLPNQL-KRWDZBQOSA-N 440.678 6.799 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3cc(C)cc(C)c3)cc2oc1=O 2396603 LFOWKNUQRFVQAP-UHFFFAOYSA-N 428.912 5.446 0 40 IKAB COc1ccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 2546373 DDKPOMFOGBORPB-XMMPIXPASA-N 443.572 6.222 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c(C)c1 2591031 DJGNTJFQWDALSP-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1nnc(C2CC2)s1)c1ccc(Cl)cc1Cl 3246585 QLGZYENSTPXJEQ-UHFFFAOYSA-N 433.320 5.227 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2C)c(Cl)c1 3371590 GIECRMIMNUXLPQ-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 3461154 XEVCVGVOIHSRMR-DEDYPNTBSA-N 447.874 5.221 0 40 IKAB COc1ccc(Cc2noc(-c3cc(-c4ccc(F)cc4)nc4ccccc34)n2)cc1OC 3583526 VEDVFUOFZPEQGK-UHFFFAOYSA-N 441.462 5.699 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H]3c4cc(Br)ccc4O[C@@]2(C)[C@@H]3C)cc1 4767722 CDYJOPUBMFPEPU-OACQNMCBSA-N 433.371 5.028 0 40 IKAB COCCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(OC)cc2)cs1 6075325 QBHRNSQNBHAEOO-UHFFFAOYSA-N 438.593 5.800 0 40 IKAB COc1c(C)cccc1C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 8831832 POYLCANPWUWBSZ-UHFFFAOYSA-N 443.355 6.839 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 9063655 YLJXHOUNDWUDME-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 9064962 DPHMRFJOIYGYBE-UHFFFAOYSA-N 445.613 6.522 0 40 IKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(OCc4ccccc4)cc3)NC(=O)CCN21 9290649 ACNIREGNKACZPT-NUKVQWKISA-N 438.571 5.601 0 40 IKAB Clc1cccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)c1 9291530 CZBDGCAQGMLOPG-YADHBBJMSA-N 448.313 5.193 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc4ccccc34)C2=O)cc1 9323354 QYVSZERNOLSBGF-YZSQISJMSA-N 448.522 5.820 0 40 IKAB COc1ccccc1NS(=O)(=O)c1ccc(C)c(NC(=O)c2ccc3ccccc3c2)c1 9373613 NPFVSLYCXTYPJV-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB COc1ccc(CCn2c(C)cc(C(=O)CSc3ccc(NC(C)=O)cc3)c2C)cc1 9439127 CHEWTUCTUWYGLP-UHFFFAOYSA-N 436.577 5.290 0 40 IKAB c1ccc(Oc2ccc(Nc3nnc(SCc4cn5cccnc5n4)s3)cc2)cc1 9441409 TWXZWXWICLICSS-UHFFFAOYSA-N 432.534 5.409 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 9462245 VFLVERBIEIQBPN-HBMCJLEFSA-N 439.298 5.045 0 40 IKAB O=C(CCCc1ccc(Br)s1)N1CCC[C@H]1c1nc2ccccc2s1 9513424 YRKXUTGFNZZKSL-HNNXBMFYSA-N 435.412 5.807 0 40 IKAB CCc1ccccc1N1C(=O)N(Cc2ccccc2Cl)c2ccccc2S1(=O)=O 9663831 SKJADPUBQNFZQN-UHFFFAOYSA-N 426.925 5.238 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccccc3)c2c1 9834883 LCYYDZWCPKWZKD-UHFFFAOYSA-N 438.936 5.863 0 40 IKAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 9846533 MLEGCRXYRUQWQE-QHCPKHFHSA-N 433.552 5.056 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3o2)cc1Cl 9906537 SNGZVEWSMMJHGV-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(OCc2cn3ccccc3n2)cc1 9915590 OTVVRKCODIUBFW-UHFFFAOYSA-N 427.382 5.064 0 40 IKAB CCOc1ccc(-n2c(SC[C@H](O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 10188630 AERRHYDIDCETJX-QHCPKHFHSA-N 447.560 5.167 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2C)cc1 10264443 JNPGQAJILKRPAY-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB CCn1cc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)c2ccccc21 10559426 JVHAASFIVDKJSZ-UHFFFAOYSA-N 444.560 6.222 0 40 IKAB CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 12437064 UHTUCRATYFVMHX-LMSSTIIKSA-N 432.567 7.380 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cc2ccc(O)cc2o/c1=N\Nc1ccccc1 12463743 LZHRBDGLHJDCNC-QYQHSDTDSA-N 440.286 5.625 0 40 IKAB CCOc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1O 12578434 JCUUSJWTBBGYKN-UHFFFAOYSA-N 430.554 6.599 0 40 IKAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1ccc(Cl)cc1C(F)(F)F 12756439 WSNZJJVSLWHNNM-AWEZNQCLSA-N 432.895 5.040 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(C)C3CCN(C(C)C)CC3)cc12 12766493 HTNAZVIVTGLKLM-UHFFFAOYSA-N 445.032 5.053 0 40 IKAB Clc1ccc(-c2csc(N3N=C(c4ccco4)C[C@H]3c3ccc(Cl)cc3)n2)cc1 13011624 VGNOCVPGNYINRR-FQEVSTJZSA-N 440.355 7.066 0 40 IKAB COc1ccc(C)cc1-n1c(SCc2c(C)noc2C)nc2cc(Cl)ccc2c1=O 13140794 MMSBSUBUIJSSFH-UHFFFAOYSA-N 441.940 5.253 0 40 IKAB CCOCCCN(C(=O)c1cccs1)[C@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 13497191 VSPUVEIRVSDSPT-QHCPKHFHSA-N 442.625 5.116 0 40 IKAB O=C(CCSc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 14108356 BCPPPQZKUJMDLN-MRXNPFEDSA-N 425.604 5.752 0 40 IKAB CCS(=O)(=O)N(C)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1 14399605 ISYSCSHHBBKKIY-UHFFFAOYSA-N 440.590 5.017 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 14400378 MOTKHONIWVOOSC-QGZVFWFLSA-N 434.502 5.119 0 40 IKAB O=C(Nc1ccccc1I)c1ccccc1OCc1ccccc1 14429672 DTZHSCWMGIETQE-UHFFFAOYSA-N 429.257 5.123 0 40 IKAB COc1ccccc1-c1cc(COC(=O)c2ccccc2OCc2ccc(F)cc2)on1 14710026 WAJMHRWMGMBEJJ-UHFFFAOYSA-N 433.435 5.425 0 40 IKAB O=C(COc1ccc(F)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 15911398 CEWOUJXBIICTQR-SFHVURJKSA-N 433.266 5.482 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc(Cl)c1O 15946252 PGDJIJHLTGKWCX-RNODOKPDSA-N 449.016 6.476 0 40 IKAB CCOc1cc(CNC(C)(C)C)cc(Br)c1OCc1ccc(Cl)cc1 16688418 YYCBVKUXJKOGJA-UHFFFAOYSA-N 426.782 5.968 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2Cl)c1 16955628 FOYJFMVSPABUDM-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB Cc1nc([C@H]2CCCCN2C(=O)C2CCCCC2)ncc1C(=O)Nc1ccc(Cl)cc1 19764846 JBRQVIGIGPARER-OAQYLSRUSA-N 440.975 5.325 0 40 IKAB O=c1cc(-c2ccccc2)c2cc(Cl)c3c(c2o1)CN(CCc1ccccc1F)CO3 19882477 UGOTZEKFFFKMST-UHFFFAOYSA-N 435.882 5.647 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20451470 UABJEQYNOAVCQS-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1cccc2c(Br)cccc12 21577865 DUBFYBQDWQMKPZ-UHFFFAOYSA-N 427.317 5.984 0 40 IKAB CCOc1ccc2c(c1)c(=O)c(C(=O)Nc1cc(Cl)c(Cl)cc1Cl)cn2C 22237218 NBMDCSPOWQISKO-UHFFFAOYSA-N 425.699 5.150 0 40 IKAB Cc1nc(CSc2ccc(C(=O)OCC(=O)N(C3=CCCCC3)C3CC3)cc2)cs1 22989359 ZCTWFYLQSLRMLM-UHFFFAOYSA-N 442.606 5.350 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(OCc5ccccc5)cc4)ncnc32)cc1Cl 27795909 QNDBQLXBWRTGML-UHFFFAOYSA-N 441.922 6.100 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1c(F)cccc1Cl)c1ccccn1 28291099 BSNFVOZVKNFFPS-UHFFFAOYSA-N 449.707 5.249 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(Cc4ccncc4)cc3)cc(C3CC3)nc21 36616797 JRUDUTUONUAYRQ-UHFFFAOYSA-N 439.563 5.655 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c1 57488339 ZDXHMWNMZYQSJM-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1 58314851 FMBQHVCLPMJFRG-VGOFRKELSA-N 427.504 5.094 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 59108653 XEEPLXOXLVXDLZ-LICLKQGHSA-N 439.603 5.784 0 40 IKAB CCOc1ccccc1C(=O)Nc1c(C)cccc1-c1nc2cc(F)ccc2n1C1CC1 72295962 CVKIFIRYMMZASP-UHFFFAOYSA-N 429.495 6.137 0 40 IKAB Cc1c(C)n(C2CCCCC2)c2ncnc(OC3CCN(C(=O)c4cccs4)CC3)c12 72335995 PEOSIBIZAJMMMC-UHFFFAOYSA-N 438.597 5.298 0 40 IKAB Cc1nc(-c2ccccc2F)sc1CNC(=O)c1c(-c2ccccc2Cl)noc1C 90592941 MNTPCTSFTWDADI-UHFFFAOYSA-N 441.915 5.804 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccc(F)c5)cc34)cs2)cc1 96037875 OSQDITDQPSILGR-UHFFFAOYSA-N 445.475 6.018 0 40 IKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(F)cc1 100845806 UJYLROGBOCGOJA-SCIXCNGFSA-N 425.547 6.868 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1OC 100930744 OJWHSJIOGRNFJA-VJBWXMMDSA-N 427.327 5.927 0 40 IKAB Cc1ccc(C(=O)Nc2nc3n(n2)[C@H](c2ccc(Cl)cc2)C=C(c2ccccc2)N3)cc1 101015340 SPMJFSKYZHNYDJ-QFIPXVFZSA-N 441.922 5.548 0 40 IKAB COc1ccc(CCn2c(-c3ccccc3)cs/c2=N/C(=O)c2ccccc2)cc1OC 101485855 IRNKHLXHWYWHMU-CYYJNZCTSA-N 444.556 5.218 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@@H]2c2c[nH]c3ccccc23)C[C@H](c2ccccc2)C1 102689721 WMTVKRCQBJIXBW-LHSJRXKWSA-N 449.436 5.843 0 40 IKAB COc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(Br)cc3)=NN21 105833426 XGQUTMJLDSGZSQ-NFBKMPQASA-N 435.321 5.700 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 222459957 JUHPQBADAYJKGI-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222939067 FHEPSVQYNCAWIN-FCHUYYIVSA-N 425.569 5.569 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 223358066 OGVAKSURSUJATP-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224003301 AFXIVVLMZKKQEG-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224611297 KVORUJFALZDSPE-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccco3)cc2)cc1 224726125 RMRYRIXNAAMJBH-DNQXCXABSA-N 443.528 5.653 0 40 IKAB CCN(c1ccc(Oc2ccccc2)cc1)S(=O)(=O)c1ccc(Br)cc1 224726767 ACMQYWUQGQATKR-UHFFFAOYSA-N 432.339 5.457 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 225282644 FVRIBBNVBPNXPS-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225339255 HZBCOHDVKRGYNI-UHFFFAOYSA-N 435.936 5.715 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@@H](C)C4)cc3)CCCC2)c1 225510319 WAJXKRLOBJUVNC-HSZRJFAPSA-N 434.624 5.946 0 40 IKAB CCCn1c(SCc2ccc(F)cc2Cl)nc2c(-c3ccccc3)c[nH]c2c1=O 225545862 FFBONJIELRTUEC-UHFFFAOYSA-N 427.932 5.886 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccccc2Cl)n1-c1ccccc1 252538986 NPIBIVCXURBOQA-UHFFFAOYSA-N 443.959 6.327 0 40 IKAB O=C(C[C@@]1(COc2ccccc2)CCCN(C(=O)CCC2CCCC2)C1)N1CCCCC1 257225136 FFABWRMOGINCTN-MHZLTWQESA-N 440.628 5.047 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H]1c1n[nH]cc1-c1cccc(Cl)c1 257241668 HZAFMDPNNDOFTB-NRFANRHFSA-N 445.910 5.290 0 40 IKAB O=C(N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1)C1(c2ccccc2)CCOCC1 257249511 JIRVQQCMFBLRSH-XMMPIXPASA-N 440.587 5.127 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(-c3ccccc3F)c1)C[C@]2(C)NC(=O)C1CCCC1 257301486 RYQCDHSCMIRXHQ-DNXSXMSISA-N 449.610 6.824 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1 260816973 SRIBYIIIOFIOIG-NRFANRHFSA-N 436.596 5.256 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1 408559132 VSOUSPKTUBJHBF-UHFFFAOYSA-N 438.549 5.262 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc2c(c1)oc1ccccc12 408575368 UOZONJDPEPNRFV-NTCAYCPXSA-N 438.508 6.372 0 40 IKAB CC(C)n1cc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)c2ccccc21 408635327 ZHHSNJJNNGHADL-ODLFYWEKSA-N 439.924 6.143 0 40 IKAB COc1cccc(NC(=O)COC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccccc23)c1 408666947 IBVVKOJZMLTUCF-UHFFFAOYSA-N 440.499 5.323 0 40 IKAB Cc1ccc(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)cc1C 408667592 BSSGLTNUCKYKAA-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB Oc1nc(-c2cn(Cc3ccc(F)cc3)c3ccccc23)nc2sc3c(c12)CCCC3 408734121 DEKPFSSDUGGTEJ-UHFFFAOYSA-N 429.520 6.085 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 408815453 WWLAZHHJYHPMTB-UHFFFAOYSA-N 434.299 6.155 0 40 IKAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 409016191 UYMKJPVSLZHQLY-JSJZUPIVSA-N 440.304 5.241 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1c(OCc2ccc(Cl)cc2)ccc2ccccc12 409104252 CCFFPQUOKXSLKT-MYYYXRDXSA-N 443.955 7.158 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccc(C)cc2)c2ccccc21 409112377 LNFVAAJENWXYIN-JCMHNJIXSA-N 448.360 6.244 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409179010 MLDDSIWKFFJSKC-ZPTXYVIGSA-N 442.990 7.197 0 40 IKAB COC1(COc2cccc(Cl)c2)CCN(C[C@]2(O)CC[C@@H](c3ccccc3)CC2)CC1 585287243 LIYSPTYTKARGIM-WZJNIGMMSA-N 444.015 5.289 0 40 IKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(Br)cc1Br 668852 OYDMUBCHHIUAGA-SNVBAGLBSA-N 447.554 5.579 0 40 IKAB Cc1cc(C)c2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1371251 DBQSZLXYAFTPOM-GOSISDBHSA-N 439.943 5.011 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 1371274 RHJIWVYUCPCOIT-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB CC1=C(c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ncn2)Sc2ccccc2N1 1617726 PAYAGWFHUYAASY-UHFFFAOYSA-N 428.439 5.654 0 40 IKAB COC(=O)CN1C(c2cccc(Cl)c2)=Nc2ccc(Cl)cc2[C@H]1c1ccccc1 1837667 UACIDLHDKXVDTL-JOCHJYFZSA-N 425.315 5.650 0 40 IKAB aggregator CCn1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1ccc(C(C)(C)C)cc1 2450682 ORIOULGXXIUSMK-UHFFFAOYSA-N 436.625 6.117 0 40 IKAB Clc1cccc(Cc2nc(SCc3ccc(Cl)cc3Cl)c3ccccc3n2)c1 3063757 ICHDOKYWLBLITP-UHFFFAOYSA-N 445.802 7.473 0 40 IKAB COc1cccc(NCc2ccccc2OCC(=O)Nc2ccc(OC(F)(F)F)cc2)c1 3281306 ZLGCJLZUZGGRML-UHFFFAOYSA-N 446.425 5.223 0 40 IKAB Cc1ccccc1NC(=S)NCc1ccc(CNC(=S)Nc2ccccc2C)cc1 3298462 ANTOKDMCIVFNNO-UHFFFAOYSA-N 434.634 5.277 0 40 IKAB Cc1cc(C)c(NC(=O)C2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)c(C)c1 3383187 HWSAJIJYPARZEC-UHFFFAOYSA-N 434.609 5.350 0 40 IKAB CN(C)CCCNC(=S)NC[C@H](c1ccc(Cl)cc1Cl)c1c[nH]c2ccccc12 3414979 RYOMGTNXPFHHBB-GOSISDBHSA-N 449.451 5.022 0 40 IKAB CCOC(=O)N1[C@@H](c2ccccc2)N(c2ccccc2)[C@H](c2ccccc2)N1C(=O)OCC 4822493 DSGORSPFIDYVHA-ZEQRLZLVSA-N 445.519 5.736 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 5476341 MZBJFZXPHYOWJE-GOSISDBHSA-N 426.560 7.558 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4cc(Cl)ccc4OC)cs3)c(=N)oc2c1 6173390 BIQWYYNMLCWLTB-UHFFFAOYSA-N 439.968 6.211 0 40 IKAB Clc1ccc(Oc2cc(CSc3ccc(Cl)cc3)nc(-c3cccnc3)n2)cc1 8733585 NXWSZCHYFWGMAF-UHFFFAOYSA-N 440.355 6.930 0 40 IKAB COc1ccc(OC)c(-c2nc(C(=O)NC3CCC(C)CC3)cc3c2[nH]c2ccccc23)c1 8788788 OPBBAQRHZIKWMC-UHFFFAOYSA-N 443.547 5.709 0 40 IKAB biogenic Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)cc1 8827499 WTXBRTPNIFOQRG-QFIPXVFZSA-N 438.508 5.769 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C1CC1)C(=O)N[C@H](C)CCc1ccccc1 8862415 GXNPBRVXKDKRNR-SJORKVTESA-N 438.572 5.037 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)c3cc(C)n(Cc4ccccc4)c3C)o2)c1 8895797 OVUZRYVVPRVXRO-UHFFFAOYSA-N 447.560 5.399 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2ccccc2)cc1 9210112 ATMZUZQDIUEGFS-HSZRJFAPSA-N 426.479 6.230 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2ccc(C)c(C)c2)n1 9250075 MJLQPUDWWDJBQS-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)Nc2cccc(Cl)c2)n1 9250085 NWYMUNJIZJXYFP-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB Cc1cc(SCc2ccc(Cl)cc2Cl)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 9291985 TTXXRVGAPRGVRN-UHFFFAOYSA-N 448.806 7.266 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1OCc1cccc2ccccc12 9339702 DXOKNVULFZOIQH-UHFFFAOYSA-N 427.525 6.520 0 40 IKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2CCc2ccccc2)c2ccccc21 9355483 XPRBGFCGWKWPSL-SSEXGKCCSA-N 442.562 6.633 0 40 IKAB O=C1C[C@@H](c2ccco2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 9359381 VHTSMQCKERNTNU-KRWDZBQOSA-N 433.471 5.336 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cccc(Cl)c2)cc1O 9409490 KUWYFKSFYHCROS-UHFFFAOYSA-N 436.895 6.206 0 40 IKAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)N(Cc1ccco1)C1=CCCCC1 9465472 RMSOPBVISRLELT-UHFFFAOYSA-N 444.557 5.593 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1C 9546559 HKBFPSBLQLUODP-OAQYLSRUSA-N 439.515 5.447 0 40 IKAB C[C@H]1Oc2ccc(NC(=O)CCc3c(-c4ccc(F)cc4)[nH]c4ccccc34)cc2NC1=O 9547679 ZQUYQGGEFGTFIA-OAHLLOKOSA-N 443.478 5.265 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9813968 WUKZQCSLXKDQBO-UHFFFAOYSA-N 435.578 5.417 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OCC)cc2)cc1 12196618 GEVDRPVWKFXUFD-SHQCIBLASA-N 444.531 5.735 0 40 IKAB CSCC[C@H](NC(=O)CCCOc1ccc(C(C)(C)C)cc1)c1nc2ccccc2[nH]1 12533251 AFHLQVHXHIQGNW-QFIPXVFZSA-N 439.625 5.630 0 40 IKAB COc1ccc(/C=C/c2noc(C)c2NC(=O)Cc2c(F)c(F)c(F)c(F)c2F)cc1 12569605 MJQBUHXUWOIIKR-VMPITWQZSA-N 438.352 5.039 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(OC)cc3)C3CCCCC3)cc2c1 12708399 CPRLELOGQULHLH-UHFFFAOYSA-N 449.551 5.302 0 40 IKAB CCCc1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 12895474 MRQCVINXVFRPQE-ZDUSSCGKSA-N 426.929 5.228 0 40 IKAB CCOc1ccc(-c2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C)cs2)cc1 12902348 VBRQVLALNUGABO-UHFFFAOYSA-N 442.997 5.950 0 40 IKAB COc1ccc(-c2noc(CN(Cc3cccs3)Cc3cccs3)n2)cc1OC 12916432 WUMODBHYOMQWQR-UHFFFAOYSA-N 427.551 5.079 0 40 IKAB CCCCn1c(S[C@H](C)C(=O)Nc2ccccc2OC)nc2sc(C)c(C)c2c1=O 12924971 SRBCNTWMYBEWGC-OAHLLOKOSA-N 445.610 5.003 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2OC[C@H]1c1ccccc1 13116982 WAXVCMPSGKPKQY-FQEVSTJZSA-N 447.491 5.135 0 40 IKAB Cc1cc(C)c2nc(NC(=O)c3ccc4c(c3)C(=O)N(c3ccccc3C)C4=O)sc2c1 13137202 PWUHCXWBWRHMCA-UHFFFAOYSA-N 441.512 5.274 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCc1ccccc1 13686700 HQSVHOYDAHUHTQ-UHFFFAOYSA-N 434.539 5.777 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC)cc1 13871546 GPGGQIHKKJGGSC-SFHVURJKSA-N 438.597 5.348 0 40 IKAB CCN(CC)[C@H](c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C 13895412 PMVCWFOFGFMVDG-LJQANCHMSA-N 434.371 5.026 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)oc2c1 13946094 KQZHQJQCMKUKDI-NTUHNPAUSA-N 430.935 7.232 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1nc2ccc(Br)cc2s1 14787840 NCQBRBFQGVVNCV-UHFFFAOYSA-N 446.301 5.424 0 40 IKAB COc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)c(OC)cc1Cl 15970660 CDWCSAGBECZJAI-UHFFFAOYSA-N 445.903 5.457 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16776845 DGOYCDUBBISGKZ-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 17097547 ASPPXCACDZJSII-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(/C=C/c1c(F)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 17099304 QPAFKBVURNAIMD-CCEZHUSRSA-N 434.942 5.426 0 40 IKAB C[C@]12CC[C@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1CC[C@@H]2O 17417711 UTXNYGUZJLLOSP-FNVOEYNGSA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692901 XMAYGGQOXPZTSD-RUZDIDTESA-N 443.934 5.088 0 40 IKAB CCOc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 20176850 DUWGVUPRDRHPMX-UHFFFAOYSA-N 446.532 6.072 0 40 IKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20460306 HCAPIFJCZCCPER-IBGZPJMESA-N 444.575 6.205 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 20550430 HZMGDQDFHBWWRF-UHFFFAOYSA-N 436.968 5.928 0 40 IKAB O=C(NCc1ccco1)Nc1ccc(NC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)cc1 21209030 GWCZUYIMLWBFBK-UHFFFAOYSA-N 428.492 5.214 0 40 IKAB CCOc1ccc(NC(=O)Nc2ccc3nc(C)n(-c4ccc(Cl)cc4)c(=O)c3c2)cc1 22500587 NNKYLCPOYLTBOB-UHFFFAOYSA-N 448.910 5.390 0 40 IKAB CCCCn1c(=O)c2ccccc2n2c(SCc3coc(-c4ccc(C)cc4)n3)nnc12 23043517 PXNHEHDOVVISBQ-UHFFFAOYSA-N 445.548 5.100 0 40 IKAB CC(C)N(CCNC(=O)c1ccc(CSc2nc3ccccc3s2)cc1)C(C)C 23053747 KCNPHYLKQJVPCZ-UHFFFAOYSA-N 427.639 5.437 0 40 IKAB CCc1nc(SCC(=O)Nc2c(C)cccc2C)nc(N)c1-c1ccc(Cl)cc1 25048803 IKSKPSJBGAZDRU-UHFFFAOYSA-N 426.973 5.289 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@@H]1c1ccccc1 25902729 CJUYATNNMHJPCO-VWLOTQADSA-N 432.520 5.649 0 40 IKAB Cc1cc(NC(=O)c2ccccc2)c(C(C)C)c(S(=O)(=O)c2ccc(Cl)cc2)c1O 26786961 BPRLZIPIDHTFAD-UHFFFAOYSA-N 443.952 5.563 0 40 IKAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)Nc1ccccc1C(F)(F)F 27921086 HKEWEGAMZNXVAL-UHFFFAOYSA-N 439.235 5.357 0 40 IKAB CCSCn1nnc(-c2ccc(OC)cc2)c1C(=O)Nc1cccc(Cl)c1Cl 32611865 FTPOVKDJSPEKDF-UHFFFAOYSA-N 437.352 5.223 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cccc(C)c4n3)cc2)cc1Cl 33067877 RJYLMPWPBVDTOL-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 35363139 QOVALRZOUUJWTN-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB COc1ccc(/C=C/C(=O)N(Cc2ccccn2)c2nc3c(F)cccc3s2)cc1OC 35590011 YTAKZIBGQLKTBA-ZRDIBKRKSA-N 449.507 5.094 0 40 IKAB CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@@H](CC(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371936 UBZMQZYNZYTSBT-OKUHBWDPSA-N 446.672 7.039 0 40 IKAB Clc1ccc(-n2nc(-c3ccccc3Cl)c(Cl)c2-c2ccccc2Cl)cc1 36611288 CXVPFZMWLQGHMQ-UHFFFAOYSA-N 434.153 7.820 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2O1 44918631 FCJIWEHBZVHTEF-RUZDIDTESA-N 426.560 5.277 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)c(Cl)c1 59267944 KXZLHYQONUCNKI-UHFFFAOYSA-N 449.146 6.081 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64872340 RWDNQQAGXYHAEB-UHFFFAOYSA-N 441.325 6.360 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccccc1F 69383062 HLOOAXQRZCIUQS-QHCPKHFHSA-N 425.463 5.032 0 40 IKAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 71844262 OUOKRJNWCFKZBA-WIYYLYMNSA-N 436.577 5.626 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1C(=O)OC(C)(C)C)C1CCCCC1 72215739 VJRVMTWRLBSGHB-HXUWFJFHSA-N 445.604 6.228 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C2CC2)c1NC(=O)[C@@H]1CCCc2ccccc21 72295966 UQUJOQNMHOPIJU-JOCHJYFZSA-N 439.534 6.544 0 40 IKAB Cn1cc(CN2CCC[C@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 72330454 VRDNAAHOVQVDHB-DWACAAAGSA-N 444.623 5.223 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 95115695 XJHIYPJJISFYQX-CJAUYULYSA-N 432.951 5.916 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1OC 104158632 RARIFBVFOAQOEU-NGOKVRLYSA-N 440.543 6.641 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C(C)(C)C(=O)C(C)(C)C[C@]4(C)[C@H]3CC[C@@]21C 118927839 FJMOGZOGGOQQDM-KJCNHVIGSA-N 440.756 8.869 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)S(C)(=O)=O)c1 222383797 JCPKQDUSXQQLPN-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C(c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)N1CCc2ccccc2C1 223077629 PLZRFJOKRDNUOC-UHFFFAOYSA-N 430.935 5.132 0 40 IKAB CCCc1ccc(OCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 223416445 UBHICXIICHJRIW-UHFFFAOYSA-N 428.576 5.006 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(OC)c(C)c1 224066645 LYSIHNLEWZUBKE-AREMUKBSSA-N 428.576 5.443 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](CC)C(=O)NC2CCCC2)cc1 224190926 MHDHFHAAXJICMM-AREMUKBSSA-N 434.624 5.356 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 224548865 ZYUVWYLWNZXGMY-BITABPLHSA-N 431.620 6.992 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225001434 GEMVBAAZJXOQBN-PKTZIBPZSA-N 442.603 5.541 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225044517 YYLFFQHHIVDVQG-DQEYMECFSA-N 433.592 6.066 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 225201022 WIXFJBITXNVBSF-MOPGFXCFSA-N 429.004 5.167 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225551300 UDXAPEBDVMMWIP-IBGZPJMESA-N 429.004 5.338 0 40 IKAB CCOc1cc(/C=C/C(N)=O)cc(Br)c1OCc1ccc(Cl)cc1Cl 226361258 IMIPPNSZRQNCCZ-ZZXKWVIFSA-N 445.140 5.232 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5cccnc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252495774 OZTJWHHQFTUXEG-RGLPTZQCSA-N 439.684 6.175 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cccc5ncccc45)C3)c2)cc1 257200697 AENKFKMOEHSCMV-NRFANRHFSA-N 437.543 5.634 0 40 IKAB Cc1ccc2[nH]c(C)c(CC(=O)N3[C@@H](Cc4ccccc4)C[C@H]4NCCCCC[C@@H]43)c2c1 257207140 BGMRISLZUINSDM-FDJWOJMMSA-N 429.608 5.072 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408618130 DOEAPFMXKQXPNV-UHFFFAOYSA-N 430.507 5.695 0 40 IKAB Cc1ccc(N(CCCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)cc1 408679138 IQTSZTXAWSROQE-UHFFFAOYSA-N 449.787 5.140 0 40 IKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c1OC 408813788 OVRYUPCMNBFZND-PPMVFUOKSA-N 437.585 5.758 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Sc2ccccc2)cc1 408920216 BKZBTTBVJPEZRA-SFHVURJKSA-N 440.590 5.224 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)c1 409056820 IZRGTNXUPAFILV-HMAPJEAMSA-N 435.932 6.468 0 40 IKAB CCOc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccc(C)cc1 409076402 AEGOMUHEJYYEAD-JCMHNJIXSA-N 434.536 5.198 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1C 409093837 ASQCTVDMBPIMTR-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB CCc1ccccc1NCc1cc(Cl)c(OS(=O)(=O)c2ccc(C)cc2)c(OC)c1 409111395 CLRGXAYZKSXUQI-UHFFFAOYSA-N 445.968 5.599 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)c2ccccc2n1C 409167987 KOBHAPRPQUXDRI-ODLFYWEKSA-N 441.350 5.486 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2c(OCCC)ccc3ccccc23)C1=O 409201985 PPMOYRWOWSTPFX-ZHZULCJRSA-N 427.522 5.008 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(Cl)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264811 OZPOHVGZUCAEKL-DWQJTFDBSA-N 444.955 5.690 0 40 IKAB O=C(Cn1c2ccccc2n2nc(-c3cccs3)nc12)c1ccc(Br)cc1 709135 QJVGAFUMIASPNC-UHFFFAOYSA-N 437.322 5.058 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(CCC1=CCCCC1)C(=O)C(F)(F)F 800167 CLNYVYXCUGPHMQ-SFHVURJKSA-N 428.520 5.129 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 890267 IJPOVEABHMIJFB-IBGZPJMESA-N 443.576 5.011 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2)c1 1353192 WTKFUBBRZWZSFB-UHFFFAOYSA-N 425.532 5.422 0 40 IKAB Cc1ccc(C(=O)N2CCc3c([nH]c4ccccc34)C23CCN(Cc2ccccc2)CC3)cc1 1381951 DMJZRUYZCVDFMF-UHFFFAOYSA-N 449.598 5.666 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1448174 OGDAPONERKYECC-UHFFFAOYSA-N 448.402 5.120 0 40 IKAB biogenic Cc1cc(C)c(OC(=O)c2ccc(Cl)cc2Cl)c(CNC(=O)c2ccccc2)c1 2067145 LUVMAONEDWUYHF-UHFFFAOYSA-N 428.315 5.759 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cccc(COc3cc(Cl)ccc3Cl)c2)cc1 2107874 PTQYUNBIUTXVMI-MRXNPFEDSA-N 428.359 7.338 0 40 IKAB Cc1oc2cc(OC(=O)c3ccc(Cl)cc3)ccc2c(=O)c1-c1ccc(Cl)cc1 2401919 CGDFZEVRGATPEX-UHFFFAOYSA-N 425.267 6.294 0 40 IKAB biogenic CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1ccc(Cl)cc1)C(=O)O 2541551 DTVJLZWXYPPOHJ-QHCPKHFHSA-N 435.907 5.217 0 40 IKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 2618187 VXTPPUZSSVHYCT-UHFFFAOYSA-N 446.355 5.869 0 40 IKAB Cc1cc2occ(CC(=O)Nc3nc4ccc(S(C)(=O)=O)cc4s3)c2cc1C(C)C 2622946 NZXWKOBNNFBGCG-UHFFFAOYSA-N 442.562 5.059 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2751623 GWLMEGNZVAMQAV-KRWDZBQOSA-N 449.381 6.960 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(Cc2cccc(Cl)c2)o1 2804584 PDUWGYKHRCKSRP-SECBINFHSA-N 431.668 5.128 0 40 IKAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc2ccccc2c1 3308883 VPVZUKQXWCZRNV-UHFFFAOYSA-N 443.018 6.612 0 40 IKAB CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2Sc2ccc(Cl)cc2)cc1 3309624 SQAORGOFPALKHU-UHFFFAOYSA-N 439.964 6.410 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCCOc2ccc(Br)cc2)c1C 3312216 LQEWQYIPFULNSU-UHFFFAOYSA-N 440.337 6.045 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3c(C)nn(Cc4ccccc4Cl)c3C)no2)cc1 4142117 DVSNLBRGCCNCNQ-UHFFFAOYSA-N 436.899 5.118 0 40 IKAB Clc1ccc(C2=NN(c3ccccc3Br)[C@H](c3ccc(Cl)cc3)C2)cc1 8386281 JSRYCETUVLGSQH-NRFANRHFSA-N 446.175 7.112 0 40 IKAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](NCC5CCCCC5)C4=O)cc3)sc2c1 8414563 OBQRXXDGKZFRBC-OAQYLSRUSA-N 433.577 5.074 0 40 IKAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3F)c2=O)cc1 8756818 XTVQQIRGFDIWTM-UHFFFAOYSA-N 430.504 5.117 0 40 IKAB CCc1ccccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852443 BZOTXIWITBVZMR-UHFFFAOYSA-N 445.997 5.271 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2)[C@@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 8926052 XKRAANNKPJEXFV-FQRUVTKNSA-N 442.559 5.865 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 9250019 MKYBDXXXZNRYMS-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c3c(c(=O)oc12)CC[C@@H](C)C3 9309304 OXEMDAHOGIEVGQ-OAHLLOKOSA-N 429.516 5.288 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(Cl)cc2)cc1OC 9426362 YKBGNFGIHUKQHQ-HSZRJFAPSA-N 447.922 5.707 0 40 IKAB Cc1ccc(C2=NC3(CCC(C)CC3)N=C2SCC(=O)Nc2ccc(C)c(C)c2)cc1 9599345 LPSMRSBXBLTMJQ-UHFFFAOYSA-N 433.621 6.091 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009745 UXTDTZRGNPHRBO-UHFFFAOYSA-N 434.542 5.468 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)NC2CCCCC2)cc1Br 12137523 GMNJQYAOMIUITQ-UHFFFAOYSA-N 441.435 5.345 0 40 IKAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Br)cc32)cc1 12486462 UCHDVENZRCBRQQ-UHFFFAOYSA-N 426.339 5.343 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Oc3cccc4ccc(C)nc34)cc2)c1 12568071 QGKRQNNFLBTMFJ-UHFFFAOYSA-N 447.512 5.147 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 13000610 SUEQXHPAJPYJSS-CYBMUJFWSA-N 426.929 5.399 0 40 IKAB CN(Cc1ccccc1Br)C(=O)c1ccc(NC(=O)c2cccs2)cc1 13005767 MOJZFOGEEZZDIY-UHFFFAOYSA-N 429.339 5.035 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Br)cc2)o1 13115848 AVAUQVZLYAWONJ-GFCCVEGCSA-N 439.306 5.282 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 13960524 VRQRHAQFPLVKJV-UHFFFAOYSA-N 425.334 7.328 0 40 IKAB CC[C@H](c1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1)N(C)C 14244647 YIYIRGNJHMVWRG-GOSISDBHSA-N 439.610 5.348 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccc(-c2nc3ccccc3o2)cc1 14272270 DBSZXCBWVHKLAN-UHFFFAOYSA-N 440.543 6.238 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Cl)c4Cl)c3)nc2c1 16610909 UXSWLCZAUJXCEU-CQSZACIVSA-N 439.342 7.567 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccccn1)C(=S)Nc1cccc(F)c1 16977300 QFLGMYPDWNSTDJ-UHFFFAOYSA-N 436.531 5.591 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 17095968 BPPHUBGMPNJDET-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1C 17095981 WYJCXEYZKJJOHY-UHFFFAOYSA-N 428.536 5.487 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2ccccc2N2CCCCC2)cc1Cl 17101993 MWCIMBLDRGSJQR-UHFFFAOYSA-N 438.380 5.119 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@@H]1CCCC[C@H]21 17724532 GXAPBFIBEHYHFO-UZINWLIJSA-N 435.564 5.978 0 40 IKAB CCc1sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(C(=O)OC)c1-c1ccccc1 19634348 ZVWKPWOUKWZEGX-DLBZAZTESA-N 441.549 5.150 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 19933304 VJFYDPTUHYHQRM-QHCPKHFHSA-N 442.049 7.450 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(-c4ccc(CO)o4)ccc3C)o2)cc1Cl 20145493 WDLQCPPRFWVXRK-FMIVXFBMSA-N 447.918 6.621 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 20241908 IILBTPSBKSWBAS-UHFFFAOYSA-N 444.575 5.411 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H](c2ccccc2)c2ccc(C)cc2)c(Br)c1 20489718 CYLISUDDOOFXBY-DEOSSOPVSA-N 438.365 5.605 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20490381 DXZVQDQZBCUQRM-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCCc3ccccc3)c3c(-c4ccccc4)n[nH]c3n2)cc1 20984587 IJLHUXFXTXGZMS-UHFFFAOYSA-N 432.527 5.573 0 40 IKAB Cc1ccccc1-c1nnc(SCc2csc(-c3ccc(C(F)(F)F)cc3)n2)o1 22517108 ZDUKPYBREBTDSE-UHFFFAOYSA-N 433.480 6.480 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 22517886 PDGKLBIUKVRKDO-HSZRJFAPSA-N 436.939 5.109 0 40 IKAB CCCCOC(=O)c1ccc(/C=C2\SC(=O)N(c3cccc(C(F)(F)F)c3)C2=O)cc1 27229703 PYPZFSRAXAVWNH-PDGQHHTCSA-N 449.450 5.903 0 40 IKAB CCCCCOC(=O)c1ccc(NC(=O)COc2ccc(OC)cc2C(C)(C)C)cc1 27912696 GKUBSKMXGJGIRX-UHFFFAOYSA-N 427.541 5.357 0 40 IKAB CCc1ccc(OCC(=O)N(CC)[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27991131 JWTQNYBAZTVIBE-NDEPHWFRSA-N 442.559 5.756 0 40 IKAB CCN(C(=O)COc1ccccc1Cl)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27994766 XHLCXVAZEHPQMB-SANMLTNESA-N 432.951 6.147 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1c2ccccc2Oc2ccccc21 30947766 KXJYONGUNKVQPE-UHFFFAOYSA-N 442.496 5.458 0 40 IKAB O=C(OCCOc1c(Cl)cccc1Cl)c1cc(-c2ccco2)nc2ccccc12 32910016 YDFUGIZSPRTPRP-UHFFFAOYSA-N 428.271 6.037 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1cc(Cl)ccc1Cl 33737138 USYNMFQVJYBTCI-UHFFFAOYSA-N 442.799 5.764 0 40 IKAB O=C1N/C(=N/c2ccccc2Cl)S/C1=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1 35646337 ODRHXJHSGTZTFN-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB Brc1ccc(-c2nnc(SCN3CCCCC3)n2-c2ccccc2)cc1 35682866 JOBVFLHQNSZJSF-UHFFFAOYSA-N 429.387 5.232 0 40 IKAB CCOC(=O)c1oc2ccc(S(=O)(=O)N3CCC[C@@H]3c3ccccc3Cl)cc2c1C 36620996 CTMIQPBHEHKWAK-LJQANCHMSA-N 447.940 5.097 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1cc2c(ccc3ccccc32)o1 38754549 LXYWXCWVCQSOCM-UHFFFAOYSA-N 443.484 5.034 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)N(CC(=O)Nc1ccccc1)Cc1ccco1 40009953 HVZDMWRXEGMDNO-UHFFFAOYSA-N 437.546 5.054 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1 44932225 ARJVAFFENKLMKH-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB COc1ccc(Cn2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)cc1 67258847 AUARVKMCMAAYQX-UHFFFAOYSA-N 440.927 5.538 0 40 IKAB Cc1cccc(N2N=C(c3ccco3)C[C@H]2c2cc3c(cc2Br)OCO3)c1 68603692 XOHDUJIKGRKFEK-SFHVURJKSA-N 425.282 5.435 0 40 IKAB biogenic C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(Cl)cc1)C(=O)N2c1ccccc1F 71326305 GISXCYRXDQBUJJ-RDPSFJRHSA-N 436.870 5.802 0 40 IKAB Cc1cc(Cc2cccc(Cl)c2)cc([C@@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354044 VBVVUBZTVABQJM-LJQANCHMSA-N 425.985 5.419 0 40 IKAB Cn1c(S[C@H](c2ccccc2)c2nc(-c3ccccc3)no2)nnc1-c1cccs1 79024295 OQIWSVKDIMLSHE-GOSISDBHSA-N 431.546 5.475 0 40 IKAB CCOC(=O)c1cnc2ccc(Br)cc2c1N1C[C@]2(C)C[C@@H]1CC(C)(C)C2 100784527 JOYMLOCALWUPDJ-OYHNWAKOSA-N 431.374 5.579 0 40 IKAB O=C(Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@H](c2ccccc2)C1 108932520 VZEZPRXVQDNKFC-IBGZPJMESA-N 448.530 5.641 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(CC(=O)O)[C@H]3CC[C@@]21C 206864621 YNWNOKZYGHTMTJ-ULXNMRRKSA-N 430.673 6.844 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)c1 214064663 JKTUJZVKYQKPMG-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222440769 VHKYNDOJPXNKOA-RUZDIDTESA-N 436.640 5.557 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc2c(c1)CCCC2 223103646 DBEXEEYLQCJPTP-RUZDIDTESA-N 425.016 5.698 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 223208140 DHFYPBBQDSZWFO-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223315894 MEQBYTPXBPPIOZ-OAQYLSRUSA-N 447.044 5.295 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccc1 223376264 CPOUEFDIZMEHGT-ZEQRLZLVSA-N 444.991 5.698 0 40 IKAB CCC(=O)N(Cc1ccc(OC)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223544917 OWYLFDFGIZWEBZ-SANMLTNESA-N 434.580 5.182 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 223589768 NFPXAXHTSNUAMZ-SFHVURJKSA-N 433.017 5.074 0 40 IKAB Cc1ccc([C@H](NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc2)cc1 223742144 BFIFFSXLEGJJSM-RQARHRADSA-N 436.511 5.265 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)c1 223969040 PGLPOMRSARIUSB-UHFFFAOYSA-N 434.989 5.068 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)cn1 223988676 BNYIRJQUWANMII-SFHVURJKSA-N 443.060 5.912 0 40 IKAB Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)cn1 224009390 SKCWFJUZDAOVOB-UHFFFAOYSA-N 448.611 6.461 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2C)cc1 224010515 HLSIIAGWFPJFIJ-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc3ccccc3c2)N1c1ccccc1 224179227 PFOMOROKXUTYDA-KAYWLYCHSA-N 446.579 6.203 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224192509 MYDXHOGUYROSAN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224247349 UWXFGHDFGKTLQA-BJKOFHAPSA-N 429.520 5.966 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1C 224280258 DHESPFPWKPMKGR-DQEYMECFSA-N 443.547 6.275 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224675715 NLECBIAIRHAJMZ-OAQYLSRUSA-N 436.596 5.055 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 224844416 ZBDJRGUVGKTWGI-IBGZPJMESA-N 436.983 5.369 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)cc(C)c3)o2)c(OC)c1 224931486 PTCARPRCVJBBPX-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 224945557 XBNOGYAULAYOSB-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1ccc(Cl)cc1Cl 225444962 SSGBXIXEQNFZNZ-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)CC1 257207305 BHDWITOABUCMFQ-UHFFFAOYSA-N 433.621 5.080 0 40 IKAB COc1cc(CCc2nc(N(C)Cc3cccc4ccccc34)ncc2C(=O)O)ccc1C 257211604 BZMXOJDDZPCDOI-UHFFFAOYSA-N 441.531 5.067 0 40 IKAB Cc1[nH]c2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2c1C 257222040 DRQLPWQOSKSDOZ-NRFANRHFSA-N 427.523 6.006 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1[C@H]2CC[C@H]1CC(Cc1ccc3ccncc3c1)C2 257312648 UOZCKQMTOIPOSJ-SVBPBHIXSA-N 436.559 5.106 0 40 IKAB COc1ccccc1-c1ccc(CC2(C(=O)NCc3ccc(F)cc3)CCOCC2)cc1 257334563 YGLNTBCFOFHQCP-UHFFFAOYSA-N 433.523 5.157 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408573185 IVBPKSBYHHZLNA-UHFFFAOYSA-N 425.981 5.955 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2Cl)ccc1NC(=O)c1ccccc1 408607605 NIJDWKGNNBNISW-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc(Cl)c1OCC 408620239 LENNLWZVHOKHQO-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)c1 408620502 OWZSERWSBRJNLD-XMMPIXPASA-N 436.533 5.093 0 40 IKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccccc3C(=O)O)o2)S1 408799840 LVKIZLFWXIHMMM-UHFFFAOYSA-N 439.900 5.370 0 40 IKAB O=C(CSCc1ccccc1Cl)NCCSCc1ccc(Cl)cc1Cl 408925250 LJPPQAHGEZGDMH-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB CC(C)CCC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 408958416 YQCWTNLAEOHXBU-GTNSWQLSSA-N 441.277 5.036 0 40 IKAB CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409010115 DJGJVWYWKOYTCY-GIBJHAEVSA-N 442.375 5.470 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409126220 NIRXGRZSCMTMEQ-QJOMJCCJSA-N 434.561 5.947 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 409179435 NKFGHCNENDBHEX-UHFFFAOYSA-N 442.298 5.594 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OCC)c2)C1=O 409234580 NXMQVMGJLKCXGW-PILJQMSFSA-N 442.375 5.471 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)C2=O)c1 409238921 OLIMDLLAAPTJAR-YBFXNURJSA-N 427.287 5.655 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2cccc(Cl)c2C)cc1 409328796 AVMUYZIQKZJIHP-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848510 NMORNFDHKZLBHW-UHFFFAOYSA-N 441.196 5.567 0 40 IKAB O=C(CSc1nnc2c(n1)[nH]c1ccc(F)cc12)N(c1ccccc1)c1ccccc1 907474 ZJNLFUNBBBLZKI-UHFFFAOYSA-N 429.480 5.102 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NCc3ccccc3)cc2c1 1327159 QJCGWYGIFXKEDP-UHFFFAOYSA-N 425.532 5.003 0 40 IKAB Cc1ccc(-c2c(C)sc3ncn(Cc4ccc(Cl)c(Cl)c4)c(=O)c23)cc1C 1781930 FWDWKZAVBHLEEM-UHFFFAOYSA-N 429.372 6.405 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)CC(C)C)c3)nc2c1 1860052 CMFWDOTVJBCNJF-CQSZACIVSA-N 444.000 6.521 0 40 IKAB COc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 1862149 HOSNEHWJQPZXAN-MHZLTWQESA-N 445.515 5.198 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)c3)nc2c1 2238636 SAICGGKYUPGLIX-UHFFFAOYSA-N 442.902 7.223 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc(Cl)cc1 2241548 LAJACDTVEXGRTG-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB CC(C)(C)c1ccc(C(=O)N/C(=C/c2cccs2)C(=O)Nc2ccc(Cl)cc2)cc1 2270017 SKDZQGKPLLXMNR-RCCKNPSSSA-N 438.980 6.109 0 40 IKAB CCCCCCn1c(O)c(C(=O)Nc2cc(Cl)ccc2OC)c(=O)c2ccccc21 2334008 YTQJZVVWOPUAHS-UHFFFAOYSA-N 428.916 5.202 0 40 IKAB S=C(NCCC(c1ccccc1)c1ccccc1)Nc1ccc(Nc2ccccc2)cc1 2429727 DVTQDMHWJBZBLP-UHFFFAOYSA-N 437.612 6.939 0 40 IKAB O=C(c1cc(Sc2ccc(Cl)cc2)nc2ccccc12)N1CCC2(CC1)OCCO2 2494015 JNGJKOOMXAYMBU-UHFFFAOYSA-N 440.952 5.019 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 2629077 SRPFGSOSIWBPNW-KRWDZBQOSA-N 446.532 5.188 0 40 IKAB Cc1cccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)c1 2720047 PILIHWPWHXUKNB-UHFFFAOYSA-N 445.407 5.244 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2739114 WALSJPYUPFUAHF-UHFFFAOYSA-N 449.381 7.586 0 40 IKAB CCc1ccccc1-n1c(S)nnc1COc1ccc2cc(Br)ccc2c1 2792625 USCNWCZYBAKBHI-UHFFFAOYSA-N 440.366 5.613 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 3011619 AOKRXBYQBKYXIW-UYAOXDASSA-N 444.457 5.421 0 40 IKAB COc1cnc(SCc2c(Cl)cccc2Cl)nc1Sc1ccc(Cl)cc1 3133206 ZPYCVKKZABTPLN-UHFFFAOYSA-N 443.808 6.889 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2cc(Cl)ccc2Cl)cc(C(C)(C)C)c1 3215885 HDVFQDUOGPOVAK-UHFFFAOYSA-N 436.379 6.384 0 40 IKAB COc1cccc([C@H]2CNC3(CCC(C(C)(C)C)CC3)c3[nH]c4ccccc4c32)c1OC 3359473 GFZIDMKWFLSCCF-YCWBAGHPSA-N 432.608 6.352 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C(=O)c1ccc(C)cc1)c1ccc(C)cc1 3361134 HPFKFFNZTPQCJR-XMMPIXPASA-N 429.545 5.609 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415066 UVIVGTJUNUEJON-YADARESESA-N 426.560 5.195 0 40 IKAB biogenic,in-vitro Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)NC2CCCCC2)cc1 5941476 PXNNNSFYIHEYMZ-UHFFFAOYSA-N 431.580 5.498 0 40 IKAB CCN(CC)CCCN(C(=O)c1ccccc1F)c1nc(-c2ccc(OC)cc2)cs1 6511309 QPQSTQFEFGCFFU-UHFFFAOYSA-N 441.572 5.337 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(F)c1 8751447 SBVBLENACVKQFR-UHFFFAOYSA-N 432.373 5.358 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1cccc(Cl)c1 8755079 AFYCZCKMLMGINQ-LJQANCHMSA-N 445.950 5.679 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1cccc2ccccc12 8770069 WNWOMJZTASSBMA-FYWRMAATSA-N 443.333 7.016 0 40 IKAB Cc1ccc(C(=O)n2ccc(-c3ccc(OCc4ccc(Cl)cc4Cl)cc3)n2)cc1 8782075 WTSMGXVHJOVANI-UHFFFAOYSA-N 437.326 6.433 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc3ccccc3c2)CC1=O 8828144 KBKBXEXFZCLZCG-QHCPKHFHSA-N 447.538 5.767 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(N)=O)C1 8832436 IZUOHUJGPUKENG-NSHDSACASA-N 447.025 6.118 0 40 IKAB O=C(Nc1ccc(Oc2ccc(F)cc2)c(C(F)(F)F)c1)c1cccc2ccccc12 8856021 KYPCNTIYPJFJKO-UHFFFAOYSA-N 425.381 7.042 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 9062155 IRMRYPCBKIFGOF-UHFFFAOYSA-N 440.484 5.456 0 40 IKAB Cc1cc(C)cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 9064742 YTAGDKVTHKXFOG-VMPITWQZSA-N 445.371 6.397 0 40 IKAB COc1ccccc1-c1c(-c2ccc(OCc3ccc(F)cc3Cl)cc2O)n[nH]c1C 9130637 NMKTVYNLRBCHOH-UHFFFAOYSA-N 438.886 6.138 0 40 IKAB Cc1cc(C)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)c(C)c1 9446049 VCZWOODDBJACPH-UHFFFAOYSA-N 427.529 5.614 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(F)c(F)c2)o1 9463691 BYLQPDGGNYPKOA-GHTZIAJQSA-N 445.263 5.871 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1cc(C)cc(C)c1)c1ccccc1 9730994 OGDHDCPQWKVRNW-QHCPKHFHSA-N 444.560 5.365 0 40 IKAB COc1cccc(-c2cnc(NCc3ccc(OCc4ccccc4)c(OC)c3)n2C)c1 9805708 YFWRKCQOWOZFKL-UHFFFAOYSA-N 429.520 5.295 0 40 IKAB O=Cc1cc(Br)cc(Br)c1OCc1ccc(Br)cc1 9934631 XXMMIWAPLKJPPT-UHFFFAOYSA-N 448.936 5.366 0 40 IKAB CCCSc1ccc2[nH]c(NC(=O)CSc3nc(C)cc(-c4ccccc4)n3)nc2c1 9971553 DYAFWRHYIKHOIC-UHFFFAOYSA-N 449.605 5.561 0 40 IKAB Cc1ccc(Cl)cc1N(CCCC(=O)Nc1c(C)cccc1C(C)C)S(C)(=O)=O 10359205 DUNFCVAIYIYULN-UHFFFAOYSA-N 437.005 5.265 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3cccc(N4C(=O)CCC4=O)c3)n2)cc1 11024833 AQIODRDDEJJYBG-UHFFFAOYSA-N 433.533 5.013 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 11117146 WGJSLZPKPKQOAN-VQTJNVASSA-N 447.482 5.222 0 40 IKAB CCc1cccc(NC(=O)CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccccc2)c1 11214769 FFZANPUHTLBKJV-IBGZPJMESA-N 449.624 5.107 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\Nc3c(C)cc(C)cc3C)c3ccccc3C2=O)cc1 12311931 KVLMKHIEUWSTKG-JLPGSUDCSA-N 426.516 5.651 0 40 IKAB Cc1c2c(=O)n(-c3ccccc3)[nH]c2cc(=O)n1CCC(c1ccccc1)c1ccccc1 12391093 HWYGBQOCEUNCKK-UHFFFAOYSA-N 435.527 5.011 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@@H]2CCCC[C@@H]2C1 12598910 UOQOAZDREOLCDO-FCHUYYIVSA-N 429.564 5.259 0 40 IKAB CCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 12780574 DWDRXCPZZYKJTK-GOSISDBHSA-N 428.561 5.314 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1c(C)cc(C)cc1C)CC2 12977946 DPWRBLURZLIBRP-MUUNZHRXSA-N 444.575 5.215 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1Cl)Cc1cc(=O)oc2cc3c(cc12)CCC3 13037724 CCZMEMHRFDRECC-UHFFFAOYSA-N 445.346 5.049 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C(C)(C)C)cc1 13129894 IZCYZPJDHSRTCB-FQEVSTJZSA-N 434.001 5.232 0 40 IKAB C[C@@H](NC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 14066340 UNORRBKUUCOTLF-OAHLLOKOSA-N 427.285 5.449 0 40 IKAB CCOC(=O)N1CCC(C(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)CC1 14711427 RDYDEJWKTSIXJB-UHFFFAOYSA-N 437.565 5.006 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 15412616 QAKOIFQKTYNHOE-MHZLTWQESA-N 442.559 5.557 0 40 IKAB COc1ccc(C)cc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 17026202 IMKBJGOATSJKNM-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19081267 FOXRTYDQYGJOKZ-SFHVURJKSA-N 433.531 5.173 0 40 IKAB CN(C)c1ncc(-c2ccccc2)c([C@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 19689858 UUUCTBAEPYYMRU-HSZRJFAPSA-N 432.543 5.035 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144702 UKRQMWXWLGBKKJ-NSHDSACASA-N 440.710 5.805 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccccc1 20633740 BIJPIMGGGFJPIQ-UHFFFAOYSA-N 449.514 5.707 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 20731286 MARWXPPGIMYVHY-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20970465 QIRUCPRFVIIHRE-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB CCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1 22110497 AXJYFUBVUYYSGB-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccc(Br)cc3)o2)cc1C 26623592 MVMXVRKHWXSNBP-MRXNPFEDSA-N 427.342 5.531 0 40 IKAB Cc1ccc(-c2csc3nc(SCc4cccnc4)n(C[C@H]4CCCO4)c(=O)c23)cc1 27810614 WLPYVKPLYFNZOB-LJQANCHMSA-N 449.601 5.300 0 40 IKAB O=C(Nc1ccc(Br)cc1C(F)(F)F)c1ccc(CN2CCCCC2)o1 27979699 GXFQXALKVIDILG-UHFFFAOYSA-N 431.252 5.299 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nn4c(C)nnc4s3)ccc2C)cc1 32126402 UYHCTAFYZBTUHP-AWEZNQCLSA-N 435.553 5.001 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 32126921 WXMGVZBHLPUQLF-WEVVVXLNSA-N 431.275 5.499 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 32719609 UWXQENCRPNXEMR-KRWDZBQOSA-N 443.572 6.137 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)N=C2c2ccc(C)cc2)cc1 34720408 ICASJOJMRASWCP-PXLXIMEGSA-N 447.332 5.601 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2cc1C 40717278 ZEWNSIHGUJJNFJ-WYMLVPIESA-N 448.522 7.332 0 40 IKAB CCOc1cc(/C=C2/N=C(C)OC2=O)cc(Br)c1OCc1ccc(C)cc1 59484424 ZVJWVZFEFHFKAM-VCHYOVAHSA-N 430.298 5.051 0 40 IKAB O=C(Cc1csc(-c2ccc(Cl)s2)n1)N1CCC(Nc2ccc(F)cc2)CC1 63583720 RSEZAXPCMXLVGT-UHFFFAOYSA-N 435.977 5.310 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3cccc(F)c3)c(=O)c3ccccc23)n1 67245424 JCQMUYFMFGWTRY-UHFFFAOYSA-N 427.435 5.246 0 40 IKAB CSc1cccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 67295217 SZKFAQKYEKUSRZ-RWEWTDSWSA-N 435.936 5.996 0 40 IKAB O=C(Nc1ccccn1)c1cc2ccccc2o/c1=N\c1ccc(OC(F)(F)F)cc1 67296349 SSKCKCZQKJGRDT-MEFGMAGPSA-N 425.366 5.211 0 40 IKAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 84363752 RHXIOUPFWSUEBZ-GXTWGEPZSA-N 443.263 5.487 0 40 IKAB Cc1ccc(/N=c2/scc(-c3ccc(Br)cc3)n2-c2ccc(C)cc2)cc1 100030588 KOAXMJOHFHJFDO-WJTDDFOZSA-N 435.390 6.818 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)on1 100743790 YQCRVFCFKRARNL-SZPZYZBQSA-N 446.595 5.586 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc(F)cc(F)c1 101003525 QMVJOBQJLOCTQV-CNXCYTMISA-N 439.461 5.388 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 102315893 AEOILEPKDWLZRG-LYNVYRENSA-N 435.568 5.469 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)o2)c1 216034365 HOJDPMCMKRZCEO-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1Cl 223104836 NLVCUCKWQGFZTC-LLVKDONJSA-N 431.717 5.095 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223409007 XEAAKSRUZDLMLG-RUZDIDTESA-N 434.967 5.445 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 223793621 XVVNSDASXNMTPC-UHFFFAOYSA-N 449.422 5.524 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 223957656 YZWFJTKSTFAKAD-INIZCTEOSA-N 435.395 5.042 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224392778 RRTGFOXVRYCHLI-OAHLLOKOSA-N 429.944 6.271 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224667764 VWHPUDFXHGTQIV-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C 224682844 YQQRNZCILDKRLW-VNLJKWRZSA-N 432.589 5.712 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 225663298 PAAXNVCAUBKTLE-VGSWGCGISA-N 432.967 5.134 0 40 IKAB C[C@H]1Cc2cccc3c(=O)c(C(=O)Nc4cc(Cl)ccc4Oc4ccccc4)cn1c23 225862624 LVZJHUPUJKGCEU-HNNXBMFYSA-N 430.891 5.817 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)o1 227145642 DKXVRZMGAPMNCH-VQHVLOKHSA-N 431.717 5.905 0 40 IKAB CCc1cc(CNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](CN(C)C)CC2)on1 257237794 HIFHMUNLLDVJCJ-QAQDUYKDSA-N 425.598 5.217 0 40 IKAB CCCCCCOc1ccccc1[C@H]1C(C(=O)Nc2ccccc2C)=C(C)N=C2N=CNN21 408625054 HYQJZANTVHFEGX-DEOSSOPVSA-N 445.567 5.126 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2Cl)c2ccccc2)cc1 408685442 PLKVJDTWMKZUHO-QFIPXVFZSA-N 433.356 6.090 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc(F)c3)S2)cc1 408779612 ZLNSYOFLDXBDNU-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1Cl 408879767 FKAUDQCJEKSHNK-SXGWCWSVSA-N 442.751 6.282 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1cccc(C)c1 409012687 RHVVRJVMJJDNPX-FEMWLQECSA-N 425.550 5.808 0 40 IKAB Fc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccc(Cl)cc2)cc1 409085643 FCHBOJQHNKYODC-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB CCc1sc2nc(SCc3ccccc3Cl)n(-c3ccc(C)cc3)c(=O)c2c1C 409121996 ZPFWASNNNVVVPO-UHFFFAOYSA-N 441.021 6.572 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 409122531 ZEYZDXVFAWVKJK-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C(=O)O2)cc1 409177784 IOEMOOSUKIZWJC-OVVQPSECSA-N 449.506 6.162 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(N(Cc3ccccc3)S(C)(=O)=O)cc2)cc1 409247908 DVMDWFKBFIGAGU-UHFFFAOYSA-N 436.577 5.248 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 2037846764 YGHXXHBBWLQCFR-KRWDZBQOSA-N 437.902 5.559 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(-n6nc(C)cc6C)ncnc5c24)CCCC3)cc1 642962 ZXOMEWKZDYFFEI-UHFFFAOYSA-N 441.560 5.596 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)cc1 674436 VBUWPUVFZHSCHR-SJORKVTESA-N 429.538 5.118 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 938896 YJMIFWVCTZEWEJ-IBGZPJMESA-N 428.323 5.129 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccco2)c(C)c1 976179 IZOZLKGXTGGMMX-UHFFFAOYSA-N 431.517 5.179 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2cccc(C)c2C)c1 1322491 AYVLMYXKNHLAAI-MHZLTWQESA-N 442.559 5.616 0 40 IKAB biogenic O=C(CN1CCC(c2nc3ccccc3s2)CC1)N(c1ccccc1)c1ccccc1 1326236 AKLDPSLCRJKFAS-UHFFFAOYSA-N 427.573 5.841 0 40 IKAB CCNC(=O)Nc1cc2nc(C)n(Cc3ccc(-c4cccc(C(C)=O)c4)cc3)c2nc1C 1336350 IWMGHUUTRUXPPZ-UHFFFAOYSA-N 441.535 5.107 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)OCc1cn(-c2ccc(Cl)c(Cl)c2)nn1 1387993 VOBWZNKQCHFWPZ-UHFFFAOYSA-N 431.201 5.342 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccc(Cl)cc1 2189102 DIKSQGFTGMDEAC-NDENLUEZSA-N 437.854 5.411 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](O)c1ccc(Br)cc1 2263893 UPDMPZKNWAEBMD-IBGZPJMESA-N 431.307 6.332 0 40 IKAB CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2380807 VWVCAAJZVMCXCJ-UHFFFAOYSA-N 426.560 6.711 0 40 IKAB COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)n2-c2ccccc2)cc1 2451208 KDRCBLVIMGHDPK-UHFFFAOYSA-N 441.478 6.254 0 40 IKAB COc1ccc(-n2c(-c3ccc(Br)cc3)cc3c2CC(C)(C)CC3=O)cn1 2561722 OKYODTMPUBGEAU-UHFFFAOYSA-N 425.326 5.466 0 40 IKAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)c(Cl)cc1Cl 3028173 HRKMFNORJJVDGL-UHFFFAOYSA-N 439.726 5.442 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)CCc2nc3ccccc3s2)c2ccccc2)c1 3241050 MIHIXWDHJVNSTI-RUZDIDTESA-N 444.556 5.769 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)N(Cc2ccccc2)C(C)(C)C)s1 3292255 UNCGZRJMSXYLKM-UHFFFAOYSA-N 426.611 5.510 0 40 IKAB Cc1cc(C)c(NC(=O)Cc2sc(Nc3ccccc3)nc2-c2ccccc2)c(C)c1 3294526 ZECVCVVCRIVHLP-UHFFFAOYSA-N 427.573 6.660 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3332920 NOLGIMIHKILUSS-UHFFFAOYSA-N 447.375 5.645 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCc2cnc(-c3ccccc3)s2)nnc1-c1cccnc1 3435340 QBJAKUUQBCOYJC-UTKZUKDTSA-N 447.633 6.507 0 40 IKAB CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)c1 3655564 FZWWOHIQJRTGCW-UHFFFAOYSA-N 443.499 6.104 0 40 IKAB C1CCC[C@@H]2CCN3CCC[C@H](CCCCCC[C@@H]4CCN5CCC[C@H](CC1)[C@@H]5O4)[C@@H]3O2 3875302 PQYOPBRFUUEHRC-HTZRZULMSA-N 446.720 6.335 0 40 IKAB biogenic CC[C@@H]1CCCCN1[C@@H]1CC(=O)N(c2ccc(-c3nc4ccc(C)cc4s3)cc2)C1=O 8414660 SKFHLRLOYXFONB-WIYYLYMNSA-N 433.577 5.168 0 40 IKAB COc1cccc(-c2nc(Oc3ccc(C)cc3Br)c3ccccc3n2)c1O 8770260 OZWOAVSFVDPPGS-UHFFFAOYSA-N 437.293 5.874 0 40 IKAB O=c1oc2ccccc2cc1C1=Nc2ccccc2N[C@H](c2ccc(Cl)cc2Cl)C1 8863727 QYDJEDKLYIFGMR-NRFANRHFSA-N 435.310 6.778 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 8903705 SOOYSXYLSPBBHX-UHFFFAOYSA-N 440.908 6.027 0 40 IKAB COc1ccc(-c2cn(Cc3ccc(Cl)c(Cl)c3)nc2-c2ccc(OC)cc2)cc1 8925715 MSHUNMXUZDXIES-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB O=C(Oc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccccc2)C1)c1ccccc1 9088296 NUWDULQYONLGGF-SANMLTNESA-N 446.506 5.897 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 9226439 VMPXHFPWWKHLFN-UHFFFAOYSA-N 435.357 6.593 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 9272471 RRWMNGIIWKLPLX-QGZVFWFLSA-N 446.414 5.255 0 40 IKAB CC(=O)N1CCCN(c2nc(-c3cccs3)nc3scc(-c4ccccc4)c23)CC1 9314345 VXLGVWDBFUXFAS-UHFFFAOYSA-N 434.590 5.145 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@H](C)Oc2ccc(C)cc2)c1 9387227 AHGBLNJJTKHDIU-SFTDATJTSA-N 430.548 5.511 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4ccccc4C)cc3O)n[nH]c2C)cc1OC 9409677 NKMFEFWRQZCPQF-UHFFFAOYSA-N 430.504 5.662 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc(C(F)(F)F)c(C(=O)c3cccs3)cc12 9420411 CQGDGQRFKQEXIL-UHFFFAOYSA-N 432.448 5.421 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(NC(=O)c2cccs2)cc1 9515313 PAMYYDDUDFRWDR-FMIVXFBMSA-N 425.513 5.818 0 40 IKAB COc1ccc([C@H]2CCCN2Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c(OC)c1 9579834 BTVAJIARUNZESF-HXUWFJFHSA-N 447.560 5.006 0 40 IKAB CSc1ncccc1C(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 9632356 RTWCRRCZNPKWRZ-UHFFFAOYSA-N 431.439 5.327 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1c(F)cccc1Cl)oc1ccccc12 9665795 SXYQAOVDBGRCOM-LBPRGKRZSA-N 441.842 5.571 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3)n2C2CCCCC2)cc1 9670014 LVWHDYBGNFDWBB-QGZVFWFLSA-N 436.581 5.578 0 40 IKAB Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccc(Cl)cc1Cl)N2 9805328 HEDRGVJCZWTCTD-KBPBESRZSA-N 429.138 5.620 0 40 IKAB CCCCCCc1c(C)c2cc(Cl)c(OCc3ccc(C(C)(C)C)cc3)cc2oc1=O 10013977 WQLTXQFENUHOBO-UHFFFAOYSA-N 441.011 7.754 0 40 IKAB O=C(CNc1nc(-c2ccccc2)c2ccccc2n1)Nc1ccccc1Br 10022466 XMYZCQJCFCKHQA-UHFFFAOYSA-N 433.309 5.110 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1 10119767 VKTXHSDJDSLJHS-UHFFFAOYSA-N 427.323 6.134 0 40 IKAB O=C(CSc1ncnc2sccc12)N1CCc2sccc2[C@H]1c1cccs1 11308105 OFOOBJFZKNOLPD-KRWDZBQOSA-N 429.617 5.081 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccccc1Cl 11867296 NYOWGLAHVCKEDG-UHFFFAOYSA-N 426.925 5.602 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12195919 OMRRETJWKNWXNK-ISKFKSNPSA-N 440.877 6.259 0 40 IKAB COc1ccc(/C=C(/CC(=O)OCc2cccc(Cl)c2)c2nc3ccccc3s2)cc1 12312214 YCHQMKSKNHJDIJ-UYRXBGFRSA-N 449.959 6.632 0 40 IKAB CCN(CC)S(=O)(=O)c1cc(Nc2nc(-c3ccccc3)nc3ccccc23)ccc1C 12550307 LEBNFYOTTMVMSB-UHFFFAOYSA-N 446.576 5.379 0 40 IKAB CCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12601762 PYQINLQORPDQES-GNISGLHKSA-N 425.916 5.001 0 40 IKAB CC(C)c1cc(NC(=O)CSc2nc3cc(Cl)ccc3n2Cc2ccccc2)on1 12635273 JOSDFBCZVHOICA-UHFFFAOYSA-N 440.956 5.580 0 40 IKAB Cc1ccccc1NC(=O)OCCCCCCCCCCOC(=O)Nc1ccccc1C 13370282 WWBAEMYYTNDNEA-UHFFFAOYSA-N 440.584 7.221 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)NC3CCCCC3)cc2c1 13513892 CDMINFKKGACKBL-UHFFFAOYSA-N 435.999 6.550 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)Nc4nccs4)c(C)c3cc2c1-c1ccccc1 13691831 OJJVMROQSQQNDO-UHFFFAOYSA-N 444.512 5.769 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccccc2C)cc1OC 13712511 DUTOJRZOEMPKBN-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@@H](C)Oc1ccccc1Cl 13870840 JAUAZFXURIWJCI-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB Cc1ccc2c(c1)C(=O)CC1(CCN(CC(=O)c3ccc(-c4ccccc4)cc3)CC1)O2 13999920 RYJCDKZSRDJVHH-UHFFFAOYSA-N 425.528 5.345 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)O 14269358 ORWMCOZNZLNIHV-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB COc1cccc(-c2nnc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)o2)c1 14944260 OHCWYOXDNWHRDA-UHFFFAOYSA-N 440.286 5.971 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 15082384 BSWNXOZNXJCPEP-UHFFFAOYSA-N 428.488 5.488 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1cccc(Cl)c1)c1ccc([N+](=O)[O-])cc1Cl 15372933 SVVXWZOYOBJSEI-UHFFFAOYSA-N 444.274 5.084 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)/C=C/c4ccco4)c2)N3)C1 15947575 HKTNYGMIOSCSDY-JWTKEWLNSA-N 434.517 5.514 0 40 IKAB COc1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)cc1Br 16439546 ZYBITRNBCTZXBW-YRNVUSSQSA-N 426.097 5.310 0 40 IKAB Cc1nc(-c2ccc(NC(=O)c3c(-c4c(F)cccc4Cl)noc3C)cc2)cs1 16504627 WNDIIQUGOMTVMM-UHFFFAOYSA-N 427.888 6.127 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)c1 16610889 MOMYWCZATVTTRB-OALUTQOASA-N 442.559 7.438 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1CSc1nc2ccccc2c(=O)n1C(C)C 16991563 NDSSKSDBZMZWQC-UHFFFAOYSA-N 425.941 5.887 0 40 IKAB CCN(CC)c1ccc2cc(-c3cc4ccc(N(CC)CC)cc4oc3=O)c(=O)oc2c1 17097990 MBQBLMOCTYBTMW-UHFFFAOYSA-N 432.520 5.259 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 17661209 ONPQEBZCZUFKOR-HNNXBMFYSA-N 430.558 6.570 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2cccc(Cl)c2)o1 20140222 ILRBSPYDPAYIFT-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccccc3Cl)c2)cc1 20460356 WKDLNVNVISVXRR-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc2cc(CNc3ccccc3)c(=O)n(CC(=O)Nc3cccc(Cl)c3)c2c1 20940105 RSLJNAJUQWWPNX-UHFFFAOYSA-N 431.923 5.214 0 40 IKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 20970437 LIUIJINYNWVWPS-JOCHJYFZSA-N 430.895 5.323 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(NC(=O)Nc4ccccc4)cc3)cc2)n1 23011255 PUDDRWKDZIBERD-UHFFFAOYSA-N 425.492 5.385 0 40 IKAB COc1ccc2ccc(Oc3nc(CN4CCOCC4)nc4sc(C)c(C)c34)cc2c1 23381187 RUOZEAYIJBLVQX-UHFFFAOYSA-N 435.549 5.094 0 40 IKAB Cc1sc2nc([C@H](C)SCC(=O)N[C@@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C 25068821 ZWGVGTKPGKUYFD-JSGCOSHPSA-N 441.578 5.019 0 40 IKAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(F)cc2Br)cc1 25521448 SZGPIVPJSSZYLZ-UHFFFAOYSA-N 441.344 5.247 0 40 IKAB C[C@@H](Cc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 30831796 SYAXRXDEJAXYRW-KRWDZBQOSA-N 447.991 5.790 0 40 IKAB Cc1ccc([C@@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1 30871351 LVGVCBWORFMFHV-QFIPXVFZSA-N 444.756 5.696 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(Cl)c1Cl 32092189 MMYLWYHSGACQNT-HNNXBMFYSA-N 433.270 5.476 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C3SCCS3)cc2)cc1OCC 32707992 CYCCHYDOSPAISW-MRXNPFEDSA-N 447.622 5.219 0 40 IKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)cc2Cl)n1C 34880369 JTAITRRXWDGBAH-UHFFFAOYSA-N 438.380 5.700 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1cc2ccccc2o1 39763261 ULQIJKSCZHGBFW-UHFFFAOYSA-N 444.919 5.796 0 40 IKAB COc1ccc(OC)c(CC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)c1 39977915 CTXQAJXPTIOKKI-UHFFFAOYSA-N 430.529 5.676 0 40 IKAB CCCCOC(=O)c1ccc(NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44850034 MVJXIAKUIHEACH-UHFFFAOYSA-N 425.506 5.237 0 40 IKAB Cc1cccc(C(=O)N2CCCC2)c1NC(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 70039831 DHCFWBMBOGYEAD-UHFFFAOYSA-N 447.149 5.492 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2Cc2ccccc2)cn1 72215791 WTHVZZBIDYHXQQ-DEOSSOPVSA-N 429.564 6.492 0 40 IKAB COc1ccc([C@@H](CC(=O)NCc2ccccc2)c2c[nH]c3cccc(OC)c23)cc1OC 85875731 UGGXRUIKZULAOJ-HXUWFJFHSA-N 444.531 5.032 0 40 IKAB biogenic O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 95454856 FNMDAQXRISRNJK-IBGZPJMESA-N 431.540 5.208 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1cccc(C)c1C 96635010 ILHLYDDXOPZQRP-UDWIEESQSA-N 431.517 5.097 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1Cl)c1cc(Br)cc(C(F)(F)F)c1 98073052 KKNBUIILVXWTPY-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB S=C1N[C@H]2c3cc(Br)ccc3O[C@]3(CCC[C@H]23)N1c1cccc(Cl)c1 100890121 LWZPLZNHNPFDOQ-AYBZRNKSSA-N 435.774 5.427 0 40 IKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1OC 102675469 RTPGHDKDIVDCGI-VWLOTQADSA-N 448.563 6.152 0 40 IKAB ClC1(Cl)C(Cl)(Cl)[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 104126944 DCBAITJOIHSJDW-PMACEKPBSA-N 436.165 6.565 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222852917 ZKAPSHAOIFYYSA-GOSISDBHSA-N 445.003 5.174 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 223360492 YINKKZSBSNTKEK-VXKWHMMOSA-N 433.558 5.592 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1OC 224241286 RBBTZYMULSFGLY-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccccc3Br)ccc2OC)c1 224252788 HTSLSBOSYNKGTH-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224342549 SENYIBDCMFMEDV-LOSJGSFVSA-N 430.621 6.128 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCCC1 224396911 HZEAGZGUSMHNBH-JWQCQUIFSA-N 448.611 6.321 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225104398 XEJRBGAEZXWQID-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225173090 DEFVYEZCXOBNCD-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225493778 HGLVDJIVJLZXKH-OFNKIYASSA-N 426.626 5.118 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 225552882 QGHBGFBCMUMAHG-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225555364 IAGBTRWBNIERHU-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225641735 OVONOEKGUDXFNZ-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC(C)CC1 225668816 OWQHHEIRQBTDMK-OLJONYEBSA-N 430.633 5.357 0 40 IKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2c(Cl)cccc2Cl)c1 408572407 GTSIOPHGVXVGPO-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1ccccc1CNC(=S)c1cccc(OCc2c(Cl)cccc2Cl)c1 408572647 HMQQYNNKUKTBPQ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB COc1cc(C)c(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1C(C)C 408631958 BSAUMLINDGSZNG-ODLFYWEKSA-N 444.940 6.048 0 40 IKAB Cc1ccc(C)n1N(CC(=O)c1ccc(Br)cc1)C(=O)c1ccccc1Cl 408686293 RJDGXYRFCSABCD-UHFFFAOYSA-N 445.744 5.182 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)cc1C 408920820 OFDYCSQRRQPCJH-GOSISDBHSA-N 440.590 5.224 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccccc1Sc1ccccc1 409315805 JVYIGVCNIBPCOV-UHFFFAOYSA-N 434.413 7.017 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)c2ccccc21 409353598 NYVBCICIECBLQP-BKUYFWCQSA-N 447.560 5.343 0 40 IKAB CCC(CC)NC(=O)CN1CCCC(C)(C)COc2ccccc2Oc2ncccc2C1 643575155 CYYHEXLNPMZMCO-UHFFFAOYSA-N 439.600 5.180 0 40 IKAB Cc1cc(F)c(I)cc1Oc1c(F)cc(C(F)(F)F)cc1F 1504250432 LLXQYEUAMFCBBP-UHFFFAOYSA-N 432.101 5.828 0 40 IKAB CCc1c(C)nc2cc(-c3cc(OC)cc(OC)c3)nn2c1NCCc1ccccc1C 1341194 GNEGBKPYXJEHNF-UHFFFAOYSA-N 430.552 5.247 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccc(C)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353156 PXKXXRAJEIVFMY-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB CCC[C@@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2209639 LTWSMYURLCHZBI-GFCCVEGCSA-N 440.421 6.114 0 40 IKAB Nc1c(Br)cc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1Br 2211980 JFKOJRCPCWOCQO-UHFFFAOYSA-N 444.126 6.269 0 40 IKAB CC(C)CCNC(=O)c1c(N)n(-c2cc(Cl)ccc2Cl)c2nc3ccccc3nc12 2395144 KVEYOBOZWODPOD-UHFFFAOYSA-N 442.350 5.239 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(OCc2ccccc2)c1 2594196 IRTFPKANMYWDMR-UHFFFAOYSA-N 440.465 6.137 0 40 IKAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)Nc1ccccc1-c1ccccc1 2617210 NHSLZEYZQIAHAM-UHFFFAOYSA-N 429.332 5.434 0 40 IKAB CCOc1ccc(OCc2ccc(-c3nc4c5c(C)c(C)sc5ncn4n3)cc2)cc1 2730943 CAGPQCKGRJHFNS-UHFFFAOYSA-N 430.533 5.601 0 40 IKAB O=C(C[C@@H](Nc1cccc(Cl)c1)c1ccc(F)cc1)c1ccc(Br)cc1 3068009 SVAKUSNJTSCJFH-HXUWFJFHSA-N 432.720 6.668 0 40 IKAB O=C(NCCOC(=O)Nc1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1 3068143 APTVREZGSDEOEK-UHFFFAOYSA-N 437.110 5.670 0 40 IKAB Cc1ccccc1N[C@H](NC(=O)c1ccc(Br)cc1)C(Cl)(Cl)Cl 3147783 ZGOSMXWAOYJYSG-OAHLLOKOSA-N 436.564 5.296 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3195866 INOOBDWKERCKQP-UHFFFAOYSA-N 426.438 5.461 0 40 IKAB CCN(CC)CCOC(=O)c1ccc(NC(=O)c2ccccc2Oc2ccccc2)cc1 3423377 JPBARRFKTIHKHJ-UHFFFAOYSA-N 432.520 5.230 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636613 CWSONHBODQDMAZ-JTSKRJEESA-N 434.561 5.202 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3cccc(C)c3)ncnc21 3658729 PDAUCNXGOMBQDV-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 3865102 KVALJVQIKPOBBW-WCABVDHTSA-N 447.531 5.964 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 4104782 PSZDOEIIIJFCFE-CYDSCAFXSA-N 442.728 7.141 0 40 IKAB CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4174584 COHHINVPZAHRJL-NYQDVAGCSA-N 449.547 5.504 0 40 IKAB biogenic COc1ccccc1[C@@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@@H](C(C)C)C1 5033387 BDEBULATKWBYRH-FTJBHMTQSA-N 427.560 5.346 0 40 IKAB CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2 6878609 NWCXUSQITRHCNT-NHDLTIKGSA-N 448.489 5.177 0 40 IKAB CCOc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1O 8396706 WFJJQGIPNNPAOO-HTAPYJJXSA-N 426.925 5.748 0 40 IKAB O=C1c2cccc3cccc(c23)C(=O)N1CC(=O)N1c2ccccc2Sc2ccccc21 8425611 GOYXEOVOLHYMMS-UHFFFAOYSA-N 436.492 5.265 0 40 IKAB Cc1ccc(C(=O)Oc2cc(-c3ccc4c(c3)OCO4)cc(=O)c3c(C)oc(C)c23)cc1 8612499 QXVPYHILRHPACT-UHFFFAOYSA-N 428.440 5.333 0 40 IKAB aggregator CSc1nc(N2CCCC[C@@H]2C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 8657507 CTJQSCSQRCYHSY-AWEZNQCLSA-N 426.655 6.027 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3cccs3)nc3ccccc23)cc1 8723985 ZMOKVSFYFGLLGA-CQSZACIVSA-N 448.573 5.436 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)C(=O)N(C)c2ccccc2O3)c1C 8961029 JHNBLCAXMJMJBX-UHFFFAOYSA-N 436.533 5.103 0 40 IKAB Cc1ccc([P@](=Nc2ccccc2)(N2CCN(c3ccccc3F)CC2)C(C)(C)C)o1 9087019 RTVAUZXOYIXDAA-HKBQPEDESA-N 439.515 6.421 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1C 9328090 JZXKWELMDGVIFD-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)cc1 9355424 FJXCTGRPNBOCGN-GDLZYMKVSA-N 428.535 6.889 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)c4ccc(Cl)cc4)n2)COC(C)(C)C3)cc1 9488332 HUPJDAZHGGDDKD-UHFFFAOYSA-N 438.980 5.932 0 40 IKAB Cc1c(Cl)ccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc12 9542516 MJLBQDVRYUMNDT-UHFFFAOYSA-N 449.988 6.715 0 40 IKAB COc1cc(CN(C)[C@H](C)c2nnc(-c3cccs3)o2)ccc1OCc1ccccc1 9594036 MIBRUQQVLQDCNO-QGZVFWFLSA-N 435.549 5.579 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccc(F)c2)cc1 9599141 STAVROWKQNSKMF-UHFFFAOYSA-N 425.529 5.068 0 40 IKAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2c(oc3ccccc32)c1=O 9751798 IMBSZEHYRYIJFQ-UHFFFAOYSA-N 441.940 5.245 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 10332966 GFGPXWKWEPUBIR-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCN(Cc1nnc(-c2cccs2)o1)Cn1c(=S)n(C(F)F)c2ccccc21 12549014 CXOGDMWDTRRPDQ-UHFFFAOYSA-N 435.525 5.549 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3cccc(C(F)(F)F)c3)c3ccccc3C2=O)c(C)c1 12651939 KDUGNIIOJSFLIJ-STZFKDTASA-N 436.433 5.962 0 40 IKAB C[C@H](Oc1ccccc1)c1nnc(SCCC(=O)Nc2ccccc2)n1-c1ccccc1 12851338 OAUORMOFNBWWKL-IBGZPJMESA-N 444.560 5.528 0 40 IKAB O=C(Nc1ccnn1Cc1ccco1)c1cccnc1Sc1cccc(C(F)(F)F)c1 13068345 PSGOOCCQPZGCTQ-UHFFFAOYSA-N 444.438 5.342 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 13113309 UBGIPURZLLUBOG-UHFFFAOYSA-N 449.576 5.120 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](NCC(C)C)c1ccccc1 13121548 RNLSOQASAFAKQL-JOCHJYFZSA-N 436.577 5.517 0 40 IKAB O=C(CSc1nccn1-c1cccc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 13284035 VZNLFSMHOXOQGX-UHFFFAOYSA-N 446.281 5.929 0 40 IKAB Cc1ccc(NC(=O)/C(=C\c2ccc3c(c2)n(C)c(=O)n3C)Sc2ccc(C)cc2)cc1 13424502 ORSWPSXPJBRDQC-LFVJCYFKSA-N 443.572 5.266 0 40 IKAB COc1ccc(N2C(=O)C[C@@]2(/C=C/c2ccccc2)C(=O)Nc2cc(C)ccc2C)cc1 13591729 ZGUXNULHZNKICW-VHRAYMLOSA-N 426.516 5.140 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13684801 YHHKUTZDPZAOHR-QGZVFWFLSA-N 436.939 5.700 0 40 IKAB C[C@H](Sc1nc(C2CC2)n(-c2ccccc2)n1)C(=O)Nc1ccccc1-c1ccccc1 14068982 FGOXEWXMPIJAKJ-SFHVURJKSA-N 440.572 5.931 0 40 IKAB O=C(Nc1cccc2ccccc12)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 15624411 LVSCNOPLRXOBKK-UHFFFAOYSA-N 444.556 5.032 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cccc(Br)c4)c3)nc2c1 16610876 CAFSBVIKCYLGTK-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4cccc(C)c4)nc3c2)c(F)c1F 17096798 KCYXYRHHXGNAIT-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc2c(Cl)cccc12 17098315 GVQYVDVVBZKMBQ-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CCN1CCN(c2ccc(Cl)cc2NC(=O)c2sc(-c3ccccc3)nc2C)CC1 17365824 JUUMXKAZCZHOIZ-UHFFFAOYSA-N 441.000 5.166 0 40 IKAB CC(C)CC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19446397 JSVFCKMUHMYRQE-IBGZPJMESA-N 433.531 5.173 0 40 IKAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCN(Cc4cnc(C(C)C)nc4)C3)cc2n1 19452292 LYTMMXOTUNAYTN-QGZVFWFLSA-N 446.521 5.165 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 19648328 HIGJWSFOXQTMRO-MRXNPFEDSA-N 448.954 5.913 0 40 IKAB CCOc1ccc(C2=C(CN3CCOCC3)[C@@H](c3ccc(F)cc3)c3ccccc3O2)cc1 19802687 SDILMVGNWPKUBF-MHZLTWQESA-N 445.534 5.492 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1 20411308 QRTQNTXGXORUMT-UHFFFAOYSA-N 448.950 7.068 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2c1 20411797 SUNQQNYLUSJNFN-UHFFFAOYSA-N 430.529 5.632 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672339 NNKQHBUKBTXYAI-XMMPIXPASA-N 449.551 5.466 0 40 IKAB O=C(O)[C@H](c1c[nH]c2ccc(Cl)cc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 20739027 PSHCZBPSPAHRNI-XCLFUZPHSA-N 425.941 5.436 0 40 IKAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)cc1Cl 21112825 WUKQXKUPLYGWMM-UHFFFAOYSA-N 443.743 5.075 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(Cl)c2C)cc1OCc1cc(=O)n2ccccc2n1 21156733 MPXFULAIABXBIQ-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CCN1CCC[C@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 22037937 SUMBPUAQPZQJBA-FXAWDEMLSA-N 439.909 5.113 0 40 IKAB CCCNC(=O)c1c(-c2ccc(C)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 27526143 BKGBDDXNRHTFML-UHFFFAOYSA-N 441.575 5.868 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)c(Cl)c2)cc1 30757859 FCALWWFNDYLCFX-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CSc1cccc(NC(=O)[C@H]2CC(O)=Nc3c(C)c(-c4cccc(Cl)c4)nn32)c1 32105983 PEQHNPMELGIMSD-QGZVFWFLSA-N 426.929 5.405 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2ccc(F)cc2)c1 32914303 BEIQNZGMJHNPJH-UHFFFAOYSA-N 428.467 5.133 0 40 IKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCC(=O)Nc1ccccc1 33649006 VVZPGVCWEBNGFL-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)nc2c1 33795282 CLGBQLSEYPJXLQ-UHFFFAOYSA-N 436.511 7.241 0 40 IKAB CCOC(=O)C1CCN(C(=O)/C(=C/c2cccs2)c2ccc(-c3ccccc3)cc2)CC1 34897689 ITQMYZZZYRWWBA-NCELDCMTSA-N 445.584 5.757 0 40 IKAB CN(C)[C@H](CNC(=O)[C@](C)(Cc1nc2ccccc2s1)c1ccccc1)c1ccsc1 40071012 WBWQUMDJBIJFSS-PXDATVDWSA-N 449.645 5.277 0 40 IKAB CS(=O)(=O)c1ccc(Cl)c(C(=O)N[C@@H](Cc2ccc(Cl)cc2)c2ccccc2)c1 40157329 QWGABZCEQCAYRX-NRFANRHFSA-N 448.371 5.111 0 40 IKAB COC(=O)c1ccc([C@H]2C(c3ccccc3)=C(O)C(=O)N2Cc2ccc(Cl)cc2)cc1 40485674 LHFKPFWGNJSFSZ-QFIPXVFZSA-N 433.891 5.179 0 40 IKAB CCCCOC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc(C(=O)OC(C)(C)C)c1C 44827160 SITVYJRNYNQYDU-SFHVURJKSA-N 445.537 5.250 0 40 IKAB COc1ccc([C@@H](C)Nc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261528 NZLYRKNJRYVRSF-OAHLLOKOSA-N 429.911 5.780 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3cccc(C)c3)C2)c(OC)c1 95945207 ADYSYARWDVXGFZ-QHCPKHFHSA-N 434.923 5.657 0 40 IKAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 100571880 FXSYYMGBMPXVBO-CUEDMMLTSA-N 444.531 5.166 0 40 IKAB CCOC(=O)N1[C@H]2CC=CC[C@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 103951458 YLIPKJUKPFIPCK-DZXSPZCNSA-N 437.539 5.763 0 40 IKAB O=C(Cc1ccccc1)NC(=S)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 107594084 FOCICXZZRNKMTO-UHFFFAOYSA-N 448.931 5.169 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4cccc5c(Cl)cccc45)c3)nn12 107613575 PXVNKIZMUDPINH-UHFFFAOYSA-N 447.951 5.783 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Cl)cc3Cl)n2CC)cc1 108279082 XMJMEEFZGYHMCL-AWEZNQCLSA-N 436.408 6.600 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Sc3ccc(OC)c(OC)c3)ccc21 216467015 GVPTXUILEJSFNN-INIZCTEOSA-N 434.561 5.951 0 40 IKAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223359597 DEVXOPBMLUGLJM-RUZDIDTESA-N 434.967 5.179 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 223717325 VMSZAPUCXIDFOO-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1 224565750 JYFNSURCPVVUKX-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2cccc(CN3CCCCC3)c2)c2ccccc2)cc1 224646118 YAHFVJKPWKNSHA-VFCFBJKWSA-N 440.587 5.538 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 225546440 HNUAOBKMWHMHIT-SQJMNOBHSA-N 446.591 5.249 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225608964 QMTVNGSERRHVGW-NTKDMRAZSA-N 443.031 5.557 0 40 IKAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 257280077 OJIUYLLKBNCNIO-FQEVSTJZSA-N 449.476 6.269 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257298247 RKVRHOWZIHUIHM-VWLOTQADSA-N 434.967 5.946 0 40 IKAB COCc1cc(CN2CCC(c3ccc(Cc4ccccc4)cn3)CC2)ccc1OC(C)C 257329316 XJIFORXEQZKEHB-UHFFFAOYSA-N 444.619 5.986 0 40 IKAB Clc1ccc(OCc2ccccc2)c(CNc2ccc(Br)c(Cl)c2)c1 408557180 NIZWZWKPCPWYNI-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C)cc1OCC 408558429 UOYYQNFCZHITOE-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(F)cc2)cc1 408693806 FBNVTOJNTHRQGZ-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nn2-c2ccccc2)cc1 408695911 UWRSDAOUBYDZTH-UHFFFAOYSA-N 446.510 6.287 0 40 IKAB Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2ccc(Cl)cc2)c1C 408698251 OGAFGIPYJJLRAO-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB Cc1cccc(Cn2cc(/C=C3\S[C](Nc4ccccc4F)NC3=O)c3ccccc32)c1 408811934 OTQYOWMWUNYUMC-UHFFFAOYSA-N 442.539 5.900 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OC 409121066 XQFTUWLTMXRWRB-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cc(Br)cc3C)o2)cc1 409169027 PAGHTDTZKGUCDF-UHFFFAOYSA-N 432.343 5.155 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409256158 ODPQBZPQAPWKBU-DZDJBXFWSA-N 430.498 6.514 0 40 IKAB COC(=O)c1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409339247 GCLYGENFVQMHRB-MHZLTWQESA-N 448.522 5.839 0 40 IKAB O=C(NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)c1cc(-c2ccccc2)on1 606422500 YXQONFQOTIWOAK-UHFFFAOYSA-N 438.462 5.263 0 40 IKAB O=C(CCc1ccccc1Br)NC[C@H](O)c1ccc(-c2cccs2)s1 618256895 YOZRYUDUHZBDSD-HNNXBMFYSA-N 436.396 5.022 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 673955 SMCVPQOQWOALIZ-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 843631 AJWLGUNRLUABCH-PKTZIBPZSA-N 430.870 5.283 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccccc3)c(=O)[nH]c12 875343 OESWMBHDCFFXMQ-UHFFFAOYSA-N 445.563 5.053 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 892187 BETDQCDDJKLLOV-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB CCCc1nnc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)s1 959431 YLOPNJXMUQMUHP-XYOKQWHBSA-N 443.956 5.384 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3Cl)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 1358599 ZBYJDHYOCIYTNN-UHFFFAOYSA-N 434.898 5.472 0 40 IKAB COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 1359226 KXVWHDAHNCHXLX-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2cccs2)c2cccc(F)c2)cc1 1376100 OQPBSDXLYNYAGU-HSZRJFAPSA-N 436.552 5.643 0 40 IKAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)Nc3ccc(Br)cc3)s2)cc1 1378935 JHVJXBYWZHKTKR-UHFFFAOYSA-N 430.327 5.027 0 40 IKAB COc1cc([C@@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc(OC)c1OC 1463229 LBTOIEPRLXKRFL-OAQYLSRUSA-N 448.993 6.534 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2073675 BKFFIAXPBJYUDU-FQEVSTJZSA-N 444.963 6.507 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2078808 KNUOYDZALGNNIK-UHFFFAOYSA-N 449.941 6.793 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1I 2135341 QPJBWMDEVUULPZ-UHFFFAOYSA-N 440.495 5.812 0 40 IKAB Cc1ccc(OCc2nnc(SC/C=C/c3ccccc3)n2-c2ccc(C)cc2)cc1 2217725 UPMUVYZRKDPNLO-RMKNXTFCSA-N 427.573 6.269 0 40 IKAB Cc1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccc(Br)cc1 2429574 KCVJOYYGXISOEJ-UHFFFAOYSA-N 439.280 6.249 0 40 IKAB biogenic CC(=O)c1sc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccs2)nc1C 3227735 BMOTVAHXCTUSOU-ZHACJKMWSA-N 434.546 5.220 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)c1 3259102 JROYPIKXVSYQRU-UHFFFAOYSA-N 438.572 5.937 0 40 IKAB Cc1ccc(-c2ccccc2C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1 3270217 DHMHMRPSVCZWOP-UHFFFAOYSA-N 448.828 5.525 0 40 IKAB COc1ccc(OC)c(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(C)cc2)c1 3284685 XTYKCVYYVLYFRS-UHFFFAOYSA-N 431.561 5.861 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(CC)cc3)c3ccccc3C2=O)cc1 3333825 CKSUSPFCTPPCMI-JJIBRWJFSA-N 425.484 5.153 0 40 IKAB C[C@H](Cc1nnc(SCC(=O)c2ccc(C3CCCCC3)cc2)n1N)c1ccccc1 3335997 JKKRETNLFBFQSV-GOSISDBHSA-N 434.609 5.361 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCCSc3nc4ccccc4[nH]3)ccc21 3363951 DQOVWJJEVWWRTJ-UHFFFAOYSA-N 428.561 6.202 0 40 IKAB CCCCCn1nc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2c1=O 3449155 PGZPVXRBNLTSMO-UHFFFAOYSA-N 435.858 5.094 0 40 IKAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3504316 JYHIRYLYPQXVAK-UHFFFAOYSA-N 432.574 5.018 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3515840 GNUHIJJWFGALGE-UHFFFAOYSA-N 432.471 5.364 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCCC2)cc1 7063303 XPDJIMNFWFFXKM-SANMLTNESA-N 427.548 5.012 0 40 IKAB O=C(COc1ccc(-c2ccc(Br)cc2)cc1)C12CC3CC(CC(C3)C1)C2 8426968 KEOGSTXUYLTKOC-UHFFFAOYSA-N 425.366 6.280 0 40 IKAB CCOc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Cl)c(Cl)c1)C(C)(C)N2 8818219 XTFRNJJOJUXDRS-NMWGTECJSA-N 437.417 7.075 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c2C(N)=O)C1 8832468 GUNSPQJZOQQFNN-JTQLQIEISA-N 449.359 5.791 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)/C=C/c1ccccc1 9064566 KJYDMGGIXYCJJE-WYMLVPIESA-N 440.524 5.295 0 40 IKAB Cc1cc(C)c2c(=O)cc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)oc2c1 9194637 ZKJORWVZCJIJSX-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB CC(C)[C@H](NC(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 9513457 UXMXAWFPNRXGCK-NRFANRHFSA-N 428.579 5.063 0 40 IKAB COc1cccc(NC(=O)[C@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9615684 VGPZSONKARCIAJ-JOCHJYFZSA-N 430.533 5.056 0 40 IKAB Cc1cccc(-n2c(SCC(=O)NC3CCCC3)nnc2-c2ccc(Cl)cc2)c1 9664720 YEZLZARBEVENLA-UHFFFAOYSA-N 426.973 5.047 0 40 IKAB O=C([C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1)N1CCCCC1 9790846 COOVNXQDSNZKNU-JOCHJYFZSA-N 432.593 5.050 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)N[C@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C 9910633 PEBHBEBEHINJLA-GDBMZVCRSA-N 429.611 5.014 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(C)cc2)cc1 10060181 HUKQQKNFGQFDTI-RUZDIDTESA-N 438.531 5.671 0 40 IKAB CCOc1cccc2cc(C(=O)Nc3ccccc3)/c(=N/c3ccc(C(=O)O)cc3)oc12 11847548 YDPLPFBUPBORFZ-PNHLSOANSA-N 428.444 5.014 0 40 IKAB Clc1ccc(-c2ccc(C3=Nn4c(nnc4-c4ccccc4)SC3)o2)c(Cl)c1 12273745 RBWITXIRMMUHHN-UHFFFAOYSA-N 427.316 5.870 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@H]1c2cc(Cl)ccc2Oc2c1c(=O)oc1ccccc21 12360136 HTGIFMPFUMHEKZ-LJQANCHMSA-N 444.826 5.544 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 12447219 LCWTUKZQHGATBZ-OAQYLSRUSA-N 425.532 5.231 0 40 IKAB CC(C)c1ccc(NC(=S)N=[P@@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1 12648328 KWFDSGBKLUJAGF-LJAQVGFWSA-N 443.597 6.079 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1-c1ccccc1)c1nc(C(C)(C)C)no1 12755634 TYWCELCBAAWROI-CQSZACIVSA-N 425.583 5.453 0 40 IKAB COc1ccc(CN(C(=O)c2sc3nc(-c4ccco4)nc(C)c3c2C)C2CC2)cc1 12781441 OTUPDWDRRFSMEW-UHFFFAOYSA-N 433.533 5.382 0 40 IKAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 12797279 JKOSSRJUGPXJQP-GFCCVEGCSA-N 433.455 5.456 0 40 IKAB CCOC(=O)c1oc2ccccc2c1CN(CC)CC(=O)Nc1cc(Cl)ccc1C 13096206 SLZFQMBTGWYCFH-UHFFFAOYSA-N 428.916 5.032 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C)c3C)[C@@H]2c2ccccc2)cc1 13119629 XDMYQTSHJPGNAV-BVAGGSTKSA-N 428.532 5.435 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)NCCSc1ncc(C(F)(F)F)cc1Cl 13145630 UBXPBWBLIJPNQI-UHFFFAOYSA-N 443.705 5.512 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 13946067 MVQCQKUBGSVKCU-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1csc(-c2ccc(OCC(=O)N[C@H](c3ccc(F)cc3)c3cccs3)cc2)n1 14184877 HYVGXSXFICTRTF-JOCHJYFZSA-N 438.549 5.604 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 14270451 BMVSJOLCXPDJLK-NTCAYCPXSA-N 445.569 5.498 0 40 IKAB COc1cc(CN(C)C(=O)C2c3ccccc3Oc3ccccc32)ccc1OC(F)F 15652197 PFJFPMVIQDNNHS-UHFFFAOYSA-N 425.431 5.193 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCN(C(C)C)C2 15823475 RYGSGDRLOTXEHO-UHFFFAOYSA-N 448.997 5.422 0 40 IKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)c2ccc(F)cc2)c2ccccc21 15947178 SZHWMXLEHAVRNO-MHZLTWQESA-N 431.507 5.265 0 40 IKAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OC(=O)c1ccco1 15947501 DSHDFUDUMXINMD-YUNKPMOVSA-N 438.505 5.123 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2cc3ccccc3oc2=O)cc1 16525610 AITWGXMBJDDMNO-UHFFFAOYSA-N 429.475 6.284 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cccc(NC(=O)c2cccs2)c1 17099088 SELCOGJESXXBMQ-UHFFFAOYSA-N 434.561 6.066 0 40 IKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccc(Cl)cc1)n2C 19894339 RMRFVAPKLPCCLB-UHFFFAOYSA-N 437.370 6.645 0 40 IKAB CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N(C(=O)Nc2ccccc2)[C@H]1c1ccccc1 20065167 NKPVUUAYPKTESU-ZCYQVOJMSA-N 441.531 5.183 0 40 IKAB Cc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3C2=O)cc1 20095914 DTHRHJKZCKYNAU-UHFFFAOYSA-N 425.271 5.355 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2nc(-c3ccc(Cl)cc3)no2)o1 23099496 QEFIKPUGKVSTOY-NSHDSACASA-N 432.864 5.344 0 40 IKAB COC(=O)Cc1ccc(Nc2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 24746692 PKMSRKCQOCSUFN-UHFFFAOYSA-N 430.533 5.091 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2cccc(F)c2)c2ccccc2)c1C 26770788 HMYQFBUIBKFPIN-XMMPIXPASA-N 430.548 6.958 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2cc1C 28288993 PPPOHVNUOPIHMY-OAQYLSRUSA-N 438.955 5.020 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 32126987 DONZGYGFVIEAJE-UHFFFAOYSA-N 426.350 5.047 0 40 IKAB COc1ccc(C)cc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32578484 YMPLBFCVUSWERP-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB C/C=C\c1ccccc1Oc1ccc(C(=O)c2ccc(Oc3ccccc3/C=C\C)cc2)cc1 33579211 JRZSSQRNBKDVDD-UIYSNZQUSA-N 446.546 8.568 0 40 IKAB CCC(C)(C)[C@H]1C/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33694599 JOJHBZGMOGNJNH-GYZZIOIESA-N 427.588 7.596 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cn3c2Nc2ccc(Br)cc2)cc1 35622031 FKJQHYZQTVQQPG-UHFFFAOYSA-N 428.717 6.169 0 40 IKAB O=C(NCCSCc1ccccc1Cl)[C@H]1CCCN(Cc2ccccc2Cl)C1 38837370 OTZMVAIKGMZTRE-SFHVURJKSA-N 437.436 5.255 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1C 40717290 BFMOWPOVNWJXRR-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB COc1ccccc1Nc1nc2sc(C(=O)N3CCC[C@H](C(F)(F)F)C3)cc2s1 48265420 GECHHSXFNBCLRF-NSHDSACASA-N 441.500 5.525 0 40 IKAB CCOc1cccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1 59294033 PPFBVPASJOBTBE-UHFFFAOYSA-N 430.957 5.734 0 40 IKAB COc1cccc(C(=O)c2coc3ccc(OCc4cccc(Br)c4)cc23)c1 96184100 DLIXLCHQFFSXIA-UHFFFAOYSA-N 437.289 6.014 0 40 IKAB C1=C[C@H]2C3C4[C@H](C=C[C@@H]4[C@H](CCSc4ccccc4)[C@H]13)[C@H]2CCSc1ccccc1 101038014 AYZBXVIUEAERKV-DSDYEEGMSA-N 430.682 7.448 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 102752124 GCVWRKJCELMRCW-WDSOQIARSA-N 445.327 5.106 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc(=O)c2ccccc2o1 208011323 DUHRZUIUOPRIFH-UHFFFAOYSA-N 442.471 5.975 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)COc1ccc(C(C)C)cc1Br 218877538 IJCZEZJIJFWNOF-IBGZPJMESA-N 446.385 5.678 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 222752559 ITAKTRAFPXDBIM-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 223068422 PAOYHAJZDHVWJV-RPBOFIJWSA-N 442.588 5.035 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 223711599 GDRRHVGXVOMLCV-VWLOTQADSA-N 436.640 5.507 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cc(C)cc(C)c1 224534157 QRUQQLSWCWDCBO-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)C 224571751 XXVMNCADZDXCFV-JOCHJYFZSA-N 445.603 6.539 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224760111 LJVBIEXPEGVBFJ-GOSISDBHSA-N 445.028 5.298 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(CSc2ccc(Cl)cc2)cc1 225305156 ZFUMFIFYYILTON-UHFFFAOYSA-N 437.977 6.403 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@H](C)C2)cc1 225615490 GCELHTOWCJFGJW-VXKWHMMOSA-N 432.649 5.459 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 225629499 KZHZQPLDYSQJBW-XXBNENTESA-N 445.003 5.058 0 40 IKAB CC[C@@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1C 225758480 XGEMBXRUNXZQIW-RUZDIDTESA-N 444.644 6.961 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)N1CCC(Cc2ccccc2)CC1 225829365 MDZMEZUHZIPMFH-UHFFFAOYSA-N 425.532 5.304 0 40 IKAB Cc1ccccc1C1(NC(=S)Nc2ccc(CSc3ccccc3)cc2)CCCC1 225855498 GMWJKWGUZTWEMP-UHFFFAOYSA-N 432.658 7.043 0 40 IKAB COc1cccc(C(=O)N(C)[C@@H]2CCCN(C(=O)c3ccccc3-c3ccccc3)CC2)c1 257270522 MUPHTFWYFNZTMV-HSZRJFAPSA-N 442.559 5.129 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)c1 408547745 MGFJJGCEZZBDFL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 408560274 OFJQRGMBLCTLLW-UHFFFAOYSA-N 438.332 5.985 0 40 IKAB Cc1cccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)c1 408575714 FMSZPIBJKYFMCY-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCC(=O)Nc2cccc3ccccc23)o1 408636840 DEAWPMRETDZZNE-UHFFFAOYSA-N 439.924 5.494 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 408682638 KZJGZDSFVJVGMO-GOEBONIOSA-N 429.303 5.091 0 40 IKAB COc1ccc(OC)c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1 408814930 ZUYGTWUGNMNJQP-XSXPQHRMSA-N 437.585 5.758 0 40 IKAB COc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409114746 JCNQNJWRDAQBES-UHFFFAOYSA-N 448.360 6.802 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409137903 ZMYCBPXCNVVJKM-HHHXNRCGSA-N 444.600 5.838 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 409331854 OWDCZUJGYNHVQV-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB OCc1csc(-c2cccc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)c2)n1 585090240 RYJPHGLRKDQHOW-UHFFFAOYSA-N 433.532 7.536 0 40 IKAB CC(C)CCNC(=O)c1ccc2c(c1)Cc1cccc(c1)CN(CC1CC1)CCCCCO2 643580942 ZKEZGGVRXYQQBO-UHFFFAOYSA-N 448.651 5.828 0 40 IKAB CCN1CCCCCCCN(C(=O)CC(C)C)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643583442 UQYRIONRPZZOOS-NOZRDPDXSA-N 442.644 5.678 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 1848355618 UAHPZVBUIZFSIB-DEOSSOPVSA-N 449.913 5.160 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)cc1 648232 GAXIUCGOWWINTE-UHFFFAOYSA-N 433.508 5.484 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccccc2)c1 870480 XBOZQGMMDNRGND-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2CCCc3ccccc32)n1-c1ccccc1 877856 QQMQDHVBBGQBRF-UHFFFAOYSA-N 440.572 5.314 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 1365902 TUFWWTINWGXOFB-QGZVFWFLSA-N 444.906 5.487 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)c3ccc(Cl)cc3)cc2c1 1366799 AGVXUHPQFUAGLV-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 1421616 YAFPRMDPAABEAK-CDRKEARJSA-N 429.519 6.083 0 40 IKAB COC(=O)c1c(NC(=O)CCCOc2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C)C2 1773511 PGDGYRMWDRBIMQ-MRXNPFEDSA-N 443.609 5.755 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Cl 1839979 WZSGYEMVWCXDCE-UHFFFAOYSA-N 441.906 5.476 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CC[C@H](C)C2 2080058 FJJDGORHSABVHC-NSHDSACASA-N 426.365 5.997 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc3c(C(=O)OC(C)C)c(C)oc3c3ccccc23)cc1 2184763 MZFNDIVELPINLO-UHFFFAOYSA-N 437.517 5.569 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SCCC(C)C)n(-c4ccccc4)c(=O)c23)CO1 2311801 GCFBURNHDJFWGQ-HSZRJFAPSA-N 428.623 5.827 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(Cl)cc2)cc1 2355045 KVTSNKMUWUWIHQ-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2cccc(OC)c2)cc1 2443928 INYGNCOCVFUHGD-UHFFFAOYSA-N 431.561 5.861 0 40 IKAB Cc1cccc(-n2nc(C)c3c(C(=O)N4C[C@@H](C)O[C@H](C)C4)cc(-c4cccs4)nc32)c1 2622159 WHAZCILUGAUQET-IAGOWNOFSA-N 446.576 5.015 0 40 IKAB Cc1nc(Oc2ccc(Br)cc2Br)c2c(C)c(C)sc2n1 2637613 HWNNDFGUGIZKIK-UHFFFAOYSA-N 428.149 5.934 0 40 IKAB Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(Cl)cc2)cc1 2721861 GAXSOSQVOBYCKI-UHFFFAOYSA-N 445.949 6.022 0 40 IKAB aggregator O=C(NCCCCNC(=O)c1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl 2749928 ZYZNSDDSSCPPAG-UHFFFAOYSA-N 434.150 5.240 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc2cc(Cl)cc(Cl)c2oc1=O 2951602 XGKPPBSNLQJSIV-UHFFFAOYSA-N 426.255 6.144 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccccc2Br)c2ccccc21 3329917 HOAXAECLAJFDGC-UHFFFAOYSA-N 448.316 5.648 0 40 IKAB Clc1c(-c2c(-c3ccccc3)[nH]c3ccccc23)nc2ccccc2c1-c1ccccc1 3418762 VFKMXLAXGZYYJB-UHFFFAOYSA-N 430.938 8.371 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(SCc4cccc(F)c4)ncnc32)cc1 3658671 HVFKAJPPZVOCJD-UHFFFAOYSA-N 429.495 6.658 0 40 IKAB CCCCSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1C1CCCCC1 6323611 XTJJSRYYKGTKSN-UHFFFAOYSA-N 430.662 5.508 0 40 IKAB Cc1cccc(OCCSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 8673999 BTTRTQDZQJQZTQ-UHFFFAOYSA-N 426.588 6.090 0 40 IKAB CCOc1ccc(-c2cc(-c3ccc(S(C)(=O)=O)cc3)nc3c2cnn3C(C)C)cc1 8704045 XNRKYKUNMUOEAO-UHFFFAOYSA-N 435.549 5.148 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)cc1 8895850 FTZKGEBJZSMNGZ-NRFANRHFSA-N 434.590 5.248 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 9130734 GCAUUNFTCPOAGT-UHFFFAOYSA-N 442.515 5.997 0 40 IKAB CC1(C)c2ccccc2N2[C@@H](C(=O)Nc3ccccc3)[C@@H]3C[C@@]21Oc1ccc2ccccc2c13 9185614 PMHSFIULDHIJHK-MBBMMDPKSA-N 446.550 6.221 0 40 IKAB CC(=O)c1cccc(NC(=O)Cn2c(COc3ccc(Cl)cc3)nc3ccccc32)c1 9245556 VBRJXSNTYUTRDZ-UHFFFAOYSA-N 433.895 5.110 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1 9591739 QXISYYBIXRHEQI-LJQANCHMSA-N 427.500 5.995 0 40 IKAB Cc1ccc(CNc2nc3ccccc3c3nc(CCn4c(C)nc5ccccc54)nn23)cc1 9831118 JBWJUHXERFTVNR-UHFFFAOYSA-N 447.546 5.099 0 40 IKAB Cc1ccc(C)c(NC(=O)CNc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 9892738 VPEBPOJZOGDAML-UHFFFAOYSA-N 439.523 5.026 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)Oc3ccccc3C(=O)Nc3ccccc3)cc2)c1 10000377 PRDJELHKJNQRQM-UHFFFAOYSA-N 437.495 6.046 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1 10112462 FPUDJABSIRBANO-IBGZPJMESA-N 434.561 5.004 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)Nc3ccc(C(N)=O)cc3)CCOCC2)c(C)c1 12231625 ADXDZWNHOCURON-UHFFFAOYSA-N 442.559 5.047 0 40 IKAB Cc1cc2occ(CC(=O)OCc3cn(-c4ccccc4)nc3-c3ccccc3)c2cc1C 12684586 YGJIZLJDVCYDIS-UHFFFAOYSA-N 436.511 6.188 0 40 IKAB Fc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 13015633 DNYHUBMKKVFGIZ-NHCUHLMSSA-N 449.327 5.993 0 40 IKAB Cc1ccc(CSCCN2CN(Cc3ccccc3)c3nc4ccccc4n3C2)cc1 13015954 VRXCCNOCZASIPZ-UHFFFAOYSA-N 428.605 5.515 0 40 IKAB Cc1occc1C(=O)N(c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccc(F)cc1 13503533 RJXUDPRPLFQADU-XMMPIXPASA-N 434.511 5.564 0 40 IKAB Cc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 13618890 NQRWSTNTXOWTLN-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)cc2)s1 14404923 BPUMHHWGLAKIDQ-UHFFFAOYSA-N 430.533 5.364 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2cc(Cl)cc(Cl)c2)c(Br)c1 14649523 KGBFWNIOAFCICT-UHFFFAOYSA-N 431.157 6.071 0 40 IKAB COc1ccc(NC(=O)c2sc3c(c2C)[C@@H](c2cccc(Cl)c2)CC(=O)N3)cc1 15106713 IFHXIXPUKRRMKX-QGZVFWFLSA-N 426.925 5.445 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccccc1NC(=O)c1ccc2c3c(cccc13)CC2 15231413 DFUVDAQLHAAEQV-UHFFFAOYSA-N 426.903 6.096 0 40 IKAB Cc1ccccc1C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1ccc(C(C)(C)C)cc1 15906678 MJEOZIZMWFSAJC-UHFFFAOYSA-N 440.543 5.236 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)c(Cl)c1 16428432 XPOCNKSODGDVET-UHFFFAOYSA-N 449.725 6.935 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 16491986 OVXIHIHAESQYSZ-UHFFFAOYSA-N 435.914 6.870 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1F 16766637 LAOMUWKHSDXRLV-NSHDSACASA-N 439.990 5.884 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)ccc3o2)ccc1C 17097521 BIUPBTGYYQMUCY-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 19400658 IJYQIGXWGGCOGZ-KCWPFWIISA-N 447.623 5.273 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc1 19531237 JSZOOAZORDPDBN-QGZVFWFLSA-N 431.458 5.138 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1-c1ccc(CO)o1 20152207 XAXZVFJFUHPUBC-UHFFFAOYSA-N 442.540 5.541 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)c(Cl)c2)c(Cl)c1 21124799 CACLLBDDMZICRW-UHFFFAOYSA-N 448.394 5.249 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNC2C3CC4CC(C3)CC2C4)cc1 22073832 GATPSDJRZXFTMX-UHFFFAOYSA-N 444.388 6.082 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccccc2Cl)S(=O)(=O)c2ccccc2)cc1Cl 22275074 WYOSUWQFDPRJJY-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(CCc1ncc(-c2ccccc2Cl)o1)NCC1(N2CCCCC2)CCCCC1 22621276 LKQVLMACPKKJGG-UHFFFAOYSA-N 429.992 5.233 0 40 IKAB CC[C@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccc(F)cc1)c1ccccc1 28047898 PBLSIJJOZGSUSR-GBXCKJPGSA-N 436.914 5.543 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccccc1OCc1nc(-c2ccc(C)cc2)no1 32578862 AVTLJFXXDFKHTN-UHFFFAOYSA-N 449.894 5.538 0 40 IKAB Cc1ccc(-c2noc(COc3ccccc3C(=O)NCc3ccccc3Cl)n2)cc1 32579135 LVPXBHUSOILLCS-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB O=C(CSc1nnc(COc2cccc(C(F)(F)F)c2)o1)Nc1ccc(Cl)cc1 32604343 KPYXIYVXTRUOPI-UHFFFAOYSA-N 443.834 5.052 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1Cl 35290469 ZAQUETRJYVSSOD-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)Cc4ccccc4)ccc3Cl)nc2c1 35374565 PQGPLPZJMKNIGZ-UHFFFAOYSA-N 449.963 5.821 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 35377098 SOCBNNHEIHDKAT-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)c(C)c1 35648093 NYEDDSBHJOJRAR-ODLFYWEKSA-N 443.355 6.953 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2c(F)cccc2Cl)CC1 39763868 DUFWYUBLZODGDT-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1nc(NC(=O)c2ccccc2)sc1-c1csc(Nc2nccc3ccccc23)n1 40556456 FPIKSGDZZARMIY-UHFFFAOYSA-N 443.557 6.119 0 40 IKAB O=c1c2sc3ncccc3c2nc(SCc2cccc(Cl)c2)n1Cc1ccccc1 45923522 MRPAYJNAENVJNS-UHFFFAOYSA-N 449.988 6.000 0 40 IKAB O=C(Nc1ccccc1F)c1sc(-c2ccccc2)cc1OCC(=O)N1CCCCC1 59298119 KADKCVNNUHAONL-UHFFFAOYSA-N 438.524 5.198 0 40 IKAB O=C1NCCCC[C@@H]1Oc1ccc(Oc2ncnc3sc(-c4ccccc4)cc23)cc1 69419705 NLGCGNDJQHXFOK-FQEVSTJZSA-N 431.517 5.198 0 40 IKAB COc1ccc2nc(Cl)c([C@@H]3CC(c4ccccc4C)=NN3C(=O)c3ccco3)cc2c1 71924250 RRJBDLMOSWTMKA-QFIPXVFZSA-N 445.906 5.790 0 40 IKAB COc1ccc2nc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC(=O)C4CCCCC4)C=C3C)[nH]c2c1 72320949 MPGFIPWDOFNQQX-FUDKSRODSA-N 437.628 5.665 0 40 IKAB biogenic,in-vitro CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)cc1 72356189 QIIZYBBAERQSEP-RUZDIDTESA-N 441.575 5.267 0 40 IKAB COc1ccc(CNC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCCC3)C23CCCC3)cc1 96344039 MOSVBPMISULXKV-RUZDIDTESA-N 446.591 5.197 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c(C)c1 101094443 OAEGODNZVQDDQS-UHFFFAOYSA-N 440.565 5.264 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 101248493 UNPWUJZCWFCHDA-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB COc1ccccc1[C@@H]1c2ccc3ccccc3c2Oc2ncn(Cc3ccco3)c(=N)c21 101362500 QUSBJULTYTXUHJ-HSZRJFAPSA-N 435.483 5.452 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C3C[C@@H](C)CC(O)=C3[C@@H]2c2ccco2)cc1 102678937 IUSQNTVMGODUCY-CPJLOUKISA-N 428.488 6.004 0 40 IKAB Brc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1 107028312 XXCOTPWHNCUROK-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc2c(c1)CCCC2 222975587 NLKBPMBKFJZTKK-QGZVFWFLSA-N 445.434 5.962 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 223301154 FMCNSOCPHXUXCL-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223396090 MNXBSWGFVWUJPH-RPBOFIJWSA-N 440.572 5.054 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 223969398 TWNQVOHWYGQCRP-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C)cc1 224207845 XOXOFMSLJPHARU-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc2ccccc12 224308532 MJOJDYOJDTUXGD-SFHVURJKSA-N 445.946 6.572 0 40 IKAB CCN(c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224361247 KQPXYYQWDGOSAX-UHFFFAOYSA-N 436.577 5.586 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 224430529 GKJBNEXWWIVNAM-JOCHJYFZSA-N 449.422 5.432 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 224446271 HWVJTGJASOIHIL-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCSCc2ccccc2)cc1 224554395 SFEVEVDQOHLXRY-UHFFFAOYSA-N 440.590 5.058 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2cccc(CN3CCCC3)c2)c2ccccc2)cc1 224591877 HTCQDKLQLMCGFJ-ZXVVBBHZSA-N 426.560 5.148 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1 224924006 DZTWFWPAGPFZRL-KRWDZBQOSA-N 446.934 6.552 0 40 IKAB COc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224952573 BOFOJPJPHKTERO-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)ccc1Cl 225025111 GKUDWKGVLMIMSM-GOTSBHOMSA-N 437.012 5.749 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1 225207116 QLMKPXKZAKULIB-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 225460635 BDRGTTBCXTVRKR-NFBKMPQASA-N 426.626 5.199 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(N4CCCC4=O)c(C)c3)CCCC2)cc1 225869561 KXHNHEMJSGIINC-UHFFFAOYSA-N 437.609 5.276 0 40 IKAB Fc1ccccc1CN1CCC(c2cc(Nc3ccccc3)nc(-c3cnccn3)n2)CC1 257214752 CNHTWGFVOQOTQV-UHFFFAOYSA-N 440.526 5.196 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)CC1)C1(Cc2ccccc2)CCOCC1 257314525 UXJVHBAMYMFTIK-HSZRJFAPSA-N 442.603 5.446 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3nc4ccccc4s3)N21 260769155 KGVHHYQGTAGNLT-LPTQZCDUSA-N 431.590 5.461 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 408679162 IUHAJWVORHVHRL-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408696199 XPLWPGFQDAFUOP-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408751139 WYXDQABTXOEWGX-CALCHBBNSA-N 426.538 5.407 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCc1cccc2ccccc12 409111853 DIIRTVKXFGEDGJ-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB CCCOc1c(Br)cc(CNc2ccccc2CC)cc1Br 409121463 VHNWGEWOPVDKCU-UHFFFAOYSA-N 427.180 6.175 0 40 IKAB CCC(=O)Nc1ccc(NCc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 624274 JHSVSSKMWLPGJB-UHFFFAOYSA-N 442.918 6.027 0 40 IKAB O=C1C(Cl)=C(Nc2ccc(Br)cc2)C(=O)N1c1cccc2ccccc12 951851 RCFLRCLRYPQVNW-UHFFFAOYSA-N 427.685 5.038 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccc(C(C)(C)C)cc3)cc2c1 1359320 XYHDEQQCPBSMIE-UHFFFAOYSA-N 442.559 5.824 0 40 IKAB CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC 2127266 PEEADTLHEYJNQS-HSZRJFAPSA-N 433.548 5.597 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 2231324 SYDBUXGAKXRALZ-UHFFFAOYSA-N 436.895 6.198 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2283442 JEUARMZCGOGJAK-OAHLLOKOSA-N 430.639 6.193 0 40 IKAB CCCCCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl 2333720 QVKOWGVLXQCMQC-UHFFFAOYSA-N 439.368 5.340 0 40 IKAB CCCCCCc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3cc2oc1=O 2342782 OAFCBAUCCVVFQC-UHFFFAOYSA-N 439.349 7.400 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1ccc(F)cc1 2688740 NTOOUOYMVBGBHH-UHFFFAOYSA-N 441.462 5.518 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1Cl 2799777 ZWIKVXQQSKEUNH-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB C[C@@H](NC(=O)CSc1ccc(Br)c2cccc(Cl)c12)c1ccccc1 3226630 GSWJOKOHFZJOFI-CYBMUJFWSA-N 434.786 6.225 0 40 IKAB CCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)CC1 3283953 BRSIHTJEZGOTFL-UHFFFAOYSA-N 445.057 5.268 0 40 IKAB COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(C)c4)cc3N2)cc1 3584075 SCEKBNVSEKNFNW-ICSRJNTNSA-N 444.457 5.421 0 40 IKAB COc1ccc(-c2cc(C(=O)O)c3c(C)nn(-c4cccc(C(F)(F)F)c4)c3n2)cc1 3885030 SCYMOSMMZSASPW-UHFFFAOYSA-N 427.382 5.122 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 4104927 KSPIGVXMBWTYCY-GIZFXVQRSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](c1ccc(F)cc1)C(Cl)(Cl)Cl 6232715 LNTSHRPDUYJBSW-WXHSDQCUSA-N 433.565 5.944 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 8673873 VUXIBCXLUSOXFV-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB Cc1ccc(N2C(=O)[C@H](CSc3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2)cc1 8925833 ZIPSXGCDAIGLJZ-YADHBBJMSA-N 427.491 6.510 0 40 IKAB COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccccc3C)cc2O)cc1 9130749 PUHZAABWMXEZNX-UHFFFAOYSA-N 430.460 5.249 0 40 IKAB Cc1c(Cl)ccc2sc(N3CCN(C(=O)Cc4cccc5ccccc45)CC3)nc12 9345728 KZDYYDSYCYOTGV-UHFFFAOYSA-N 435.980 5.303 0 40 IKAB Cc1nc2c(ccc3nc(NC(=O)c4ccc(C(=O)c5ccccc5)cc4)sc32)s1 9404324 HHECEYPHSGRJDH-UHFFFAOYSA-N 429.526 5.698 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1cc3c(C)nn(-c4ccccc4)c3s1)CC2 9409787 BVMJKYRIZBSVLQ-INIZCTEOSA-N 447.560 5.172 0 40 IKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)n1 9573414 CVTHAUNZBGGSPA-UHFFFAOYSA-N 425.536 5.780 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1noc2c1C[C@H](C(C)(C)C)CC2 9597948 WTAKMPLYJOLDIH-QGZVFWFLSA-N 440.975 5.593 0 40 IKAB O=C(Nc1ccccc1)C1CCN(c2ncnc3scc(-c4ccc(F)cc4)c23)CC1 9711916 CLWICKZIPVRIKE-UHFFFAOYSA-N 432.524 5.353 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 9781302 LZFKXSFATWDULJ-UHFFFAOYSA-N 444.535 5.134 0 40 IKAB C[C@@H](NC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)c1ccccc1 9851075 YMKZHSMCYKBKQI-OAQYLSRUSA-N 436.596 6.022 0 40 IKAB COc1cc2ccccc2cc1C(=O)NCc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 10120391 CAVXPCDWUVZRKD-UHFFFAOYSA-N 436.511 6.203 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C(=O)N2CCCC2)c2ccccc2)s1 12700319 LGEKGBXKSFOYBW-LJQANCHMSA-N 440.594 5.136 0 40 IKAB COc1ccc2c(C)cc3nn(CN4CCC(Cc5ccccc5)CC4)c(=S)n3c2c1 13063523 VEZRWKZVCFHDQU-UHFFFAOYSA-N 432.593 5.248 0 40 IKAB CC(C)c1ccc([C@H](NCC(=O)Nc2ccc(N3CCOCC3)cc2)c2cccs2)cc1 13128045 GQGZGVRBYNZNMQ-SANMLTNESA-N 449.620 5.026 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3ccccc23)nc1C 13129250 UBYHRYOBJGUVPN-UHFFFAOYSA-N 447.516 5.104 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(C)c1 13513024 VHEDGAFUVMQCHJ-UHFFFAOYSA-N 443.576 5.044 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1cc2ccccc2o1 15018951 QTSKZAMVMGMZFL-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB CC(C)c1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccccc2C(F)(F)F)o1 15881512 CSHUFSWHWAKHFE-UHFFFAOYSA-N 428.414 5.472 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 16321444 BZUFXWQCJOIGEB-UHFFFAOYSA-N 446.315 6.074 0 40 IKAB C[C@@H](NCc1cccc(OCc2ccc(Cl)cc2Cl)c1)C12CC3CC(CC(C3)C1)C2 16576199 GZSWOTNVJJBDQD-GWKODMSMSA-N 444.446 7.267 0 40 IKAB O=C1SC[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 16712015 XASMYCNNQLLLHV-RDGATRHJSA-N 427.529 5.253 0 40 IKAB NC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17099951 BQPVJWOINJRVBA-UHFFFAOYSA-N 436.298 5.560 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 19633142 AMIJVWOKTWWDQF-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB COc1ccccc1CCC(=O)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 19690255 YQPXHBINNCABOW-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB Cc1cc(Cc2ccccc2)cc(C2CCN(C(=O)c3cn4cc(Cl)ccc4n3)CC2)n1 19691857 IRTIMSDTDCDTBZ-UHFFFAOYSA-N 444.966 5.302 0 40 IKAB COc1cc(OC)cc(C2=NC3(CCC(C)CC3)N(C(=O)c3ccc(F)cc3)C2=S)c1 20152235 JUCGGHLFBYQCBY-UHFFFAOYSA-N 440.540 5.022 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 20454275 XCCLHJBPIYIASM-UHFFFAOYSA-N 428.532 5.377 0 40 IKAB CCCN(CC(=O)Nc1ccc(Cl)cc1Cl)C(=O)c1cnc2onc(C(C)C)c2c1 21308290 FFBDRYLQGKUIQE-UHFFFAOYSA-N 449.338 5.144 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@H](C(=O)N3CCCCC3)c3ccccc3)o2)c1 26491994 MGUHZUJSMJNXKV-QFIPXVFZSA-N 437.565 5.111 0 40 IKAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(-c2ccco2)nc2ccccc12 32868681 KMDNSNIKBBUVBA-UHFFFAOYSA-N 429.954 5.355 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OCC 39759716 ULAXKWXWHOORHR-SFHVURJKSA-N 445.003 5.227 0 40 IKAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426069 CYHAJCOGBVNXHZ-UHFFFAOYSA-N 436.002 5.197 0 40 IKAB CCOc1ccc(C(=O)CSc2ccc(-c3cccc(Br)c3)nn2)cc1 57486358 YZRIKGHBTVTBLM-UHFFFAOYSA-N 429.339 5.280 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)cc1 57488177 NLYJRKALDYSYOZ-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB O=C(NC[C@@H]1CCCN(C(=O)CCSc2ccc(Cl)cc2)C1)Nc1cccc(F)c1 58323888 YVYXCPUFJNZRAH-INIZCTEOSA-N 449.979 5.022 0 40 IKAB Cc1ccccc1NC1CCN(C(=O)c2c(-c3c(F)cccc3Cl)noc2C)CC1 65475629 DCDWZXUHVYTQGD-UHFFFAOYSA-N 427.907 5.468 0 40 IKAB CC[C@@H](C)n1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2cc(C)[nH]c2c1=O 67239212 XUECKUIVQNNZFZ-LLVKDONJSA-N 439.368 5.042 0 40 IKAB O=c1c2sccc2nc(SCc2ccc(F)cc2Cl)n1CCc1ccccc1 71768740 WWZSUUQJYNKQKU-UHFFFAOYSA-N 430.957 5.786 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 102675159 MFXRPKFYWKDYMI-ZYSQEBTGSA-N 444.637 7.499 0 40 IKAB C[C@@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccco1 103242946 UERTURUPPNSLDO-CAMMJAKZSA-N 447.564 5.878 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3ccc(C)c(Cl)c3)cc2)cc1 224122481 OAQSEYMZIKCGDJ-UHFFFAOYSA-N 425.981 6.058 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224246229 FUWIRJBIEFEDPU-LJQANCHMSA-N 447.044 5.320 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cc2)c1 224539933 OYQABTGPTKFLBN-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccc(C)c(C)c1 224623524 IYNHSMAUPZGZRK-UHFFFAOYSA-N 432.520 5.492 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224679515 SAPFMIQZIXXWDO-OAQYLSRUSA-N 438.637 5.343 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1 224757804 VGPUABRQXJZCPO-IBGZPJMESA-N 426.988 5.057 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225012311 OWLBNRJBHXROAS-PKTZIBPZSA-N 435.618 6.049 0 40 IKAB COc1ccc(N=C/C=C(/Nc2ccc(OC)cc2)c2ccc(Cl)c(Cl)c2)cc1 254411658 PTCCZEJMFFWAMS-OPXHKRRZSA-N 427.331 6.866 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 257203785 ARPWKXIRPGZDSX-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 257290247 QCDRBIPAODLBJP-LJQANCHMSA-N 431.923 5.487 0 40 IKAB O=C(CCCCCOC(=O)c1ccccc1)OCCCCCC(=O)OCc1ccccc1 263583662 SANZTSWRCVFGGC-UHFFFAOYSA-N 440.536 5.251 0 40 IKAB Cc1ccc(N2CCC3(CC2)Oc2ccccc2-c2c3nc(C(C)C)n2CC2CCC2)nn1 306124229 BKDQOYYDUVXVTG-UHFFFAOYSA-N 443.595 5.460 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408573313 JUEGPPXUSQJRSR-UHFFFAOYSA-N 429.944 5.922 0 40 IKAB CC(C)COc1ccc(/C=C(/Sc2nc(-c3ccc(Cl)cc3)n[nH]2)C(=O)O)cc1 408634795 USDIKXAVLMDELX-WOJGMQOQSA-N 429.929 5.378 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408635584 FJVWCDAQGIVLRX-UHFFFAOYSA-N 432.479 6.220 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(C(F)(F)F)c2)o1 408637673 MTXSBLINVWBZFE-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699065 UKCJKNAFVCYCOE-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1cccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1 409115298 INGRDEYWAZOWBM-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB CCCOc1c(I)cc(CNc2cccc(C)c2)cc1OCC 409116989 KIOZKKDYFSUWBH-UHFFFAOYSA-N 425.310 5.399 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccc(-c3ccc(Br)c(Cl)c3)o2)C1=O 409148530 ZFQZDNRMJCDLFK-OQLLNIDSSA-N 442.718 5.045 0 40 IKAB CC(C)(C)c1cccc(OCCCN2CCC(c3nc4cc(Cl)ccc4o3)CC2)c1 1615059199 XHEBWNKAILXHRH-UHFFFAOYSA-N 426.988 6.427 0 40 IKAB COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@H](Oc3ccccc3)CO4)CCCCC2)cc1 1848355754 DETHNXYRQVVHJI-VWLOTQADSA-N 449.591 5.126 0 40 IKAB CCc1c(-c2ccccc2)nc(NC#N)nc1-c1nc(NC#N)nc(-c2ccccc2)c1CC 623136 LQZKZEQNSHGYGT-UHFFFAOYSA-N 446.518 5.178 0 40 IKAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3ccc(Oc4ccccc4)cc3)oc2c1 651837 MRHIBNVHSZVNCX-SGEDCAFJSA-N 427.504 5.403 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc2ccccc12 684707 RAZHTZSGFLIIQI-XMMPIXPASA-N 442.544 5.638 0 40 IKAB Cc1ccc(O)c([C@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1 781884 DFFMLDHMGXGQDA-XMMPIXPASA-N 429.560 5.087 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901189 WSFDSKGUCKBAPV-AWEZNQCLSA-N 447.482 5.680 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)NC3CCCCC3)n2)cc1 920456 PSQUMIHOMYZOPN-UHFFFAOYSA-N 439.503 5.102 0 40 IKAB O=C(NCCC1=CCCCC1)c1cc2c([nH]c3ccccc32)c(-c2ccc3c(c2)OCO3)n1 2130834 ZXXFFUNNRFZIPG-UHFFFAOYSA-N 439.515 5.732 0 40 IKAB biogenic Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 2248298 IFCHWHTZJQKMSQ-ZBFHGGJFSA-N 435.837 5.153 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n12)CCCC3 2351149 SAULIXPIACCAFT-UHFFFAOYSA-N 442.997 5.409 0 40 IKAB COc1ccc(CCNc2cc(C(C)(C)C)nc3c(-c4ccccc4)cnn23)cc1OC 2442682 LAUMJPCKEQTEKJ-UHFFFAOYSA-N 430.552 5.366 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cc(Cl)ccc1Cl 2618420 FZFKGSWAVHRMRC-VIFPVBQESA-N 443.356 5.847 0 40 IKAB COc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1 2652178 NAJMLAYGTWCXOW-UHFFFAOYSA-N 449.576 5.026 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)Cc1cccc2ccccc12 2680135 PEHZQMMSXUATQN-UHFFFAOYSA-N 443.568 6.543 0 40 IKAB Cc1cc(OCC(=O)N2CCS[C@H]2c2ccc(Cl)c(Cl)c2)cc(C)c1Cl 2752096 LZXFVBIPVDIMBA-IBGZPJMESA-N 430.784 5.917 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N[C@@H]1CCCc2ccccc21 3298736 WQNNOLALSMVAKG-HSZRJFAPSA-N 440.568 6.295 0 40 IKAB Cc1cc2oc(=O)cc(COC(=O)CCCc3nc4ccccc4s3)c2cc1Cl 3357326 YEBLXJYCCDULDD-UHFFFAOYSA-N 427.909 5.431 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C[C@@H]3CCCO3)cs2)cc1 3444310 FGJDQOCOTOSVLH-IBGZPJMESA-N 449.601 5.300 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)ccc1NC(=O)c1ccccc1 4090513 DSIVGIOHWFADEQ-UHFFFAOYSA-N 445.588 5.672 0 40 IKAB O=C(C[C@H]1SC(Nc2ccccc2Cl)=NC1=O)Nc1ccc(Cl)cc1Cl 5891742 UXVYYFRGYBIXLW-CQSZACIVSA-N 428.728 5.086 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 6438852 LTPZVZDYSSCAPK-NDEPHWFRSA-N 427.544 5.168 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]2C(=O)N1c1ccc2ccccc2c1 8497904 XGKPLMKCZZGUPV-IOXNAGQWSA-N 435.910 5.587 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1ccccc1Cl)c1ccc(Cl)cc1 8735796 BJONYCZSVGITIN-UHFFFAOYSA-N 438.358 5.754 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(-c3ccc(Cl)cc3)o2)cs1 8825003 WQNJDVMQNFADBN-UHFFFAOYSA-N 442.953 5.823 0 40 IKAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 9063668 MEEKBLPGEOLHRF-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB O=c1c([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)coc2ccc(F)cc12 9066245 YLDPJMZMPKQVDV-BWKNWUBXSA-N 446.865 5.828 0 40 IKAB Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cc(Cl)ccc1Cl 9284697 SVPQEVDPSDAQKQ-UHFFFAOYSA-N 434.377 5.382 0 40 IKAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12 9413894 DAQMEYMEPNBRRN-BENRWUELSA-N 444.418 5.205 0 40 IKAB Cc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1-c1nc(-c2ccccc2)cs1 9730874 XOJYMHKYLSBZKW-PNHLSOANSA-N 428.944 7.418 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(C)n3-c3cccc(C)c3)cs2)cc1 9908623 LKKDUSZJMKIARG-UHFFFAOYSA-N 449.605 5.123 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 9988337 RSYCKXJVIPFJJS-GOSISDBHSA-N 446.551 5.102 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2OC)cc1Cl 10119223 BNOTZAVNSKZFSG-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cccc(OCCOc2ccccc2)c1 12137679 WWGVUYAZWGEQJA-UHFFFAOYSA-N 444.531 5.023 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1C(F)(F)F 12582003 VWXAHZNRJASWRC-UHFFFAOYSA-N 427.451 5.775 0 40 IKAB CNC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CC[C@@H](C)C3 12636524 SLMKCERHLKGIGX-LYTYMJBXSA-N 441.666 5.122 0 40 IKAB COc1ccc([C@@H]2CCCN2Cn2nc(-c3ccc(Cl)cc3)n(C)c2=S)c(OC)c1 12773056 DAOKHLRSBJTPRG-IBGZPJMESA-N 444.988 5.083 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 12849380 XOILJQPCBYZIHR-SWLSCSKDSA-N 426.851 5.511 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(Cc3cccs3)n2C2CC2)cc1 13016576 KAEMOFBQCYBTCK-UHFFFAOYSA-N 446.601 5.810 0 40 IKAB O=C(Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)c1ccccc1F 13100367 IKWZFXNTCJUZFZ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1cc(C)cc(C)c1 13131698 QMPPJLIYEDVLMU-UHFFFAOYSA-N 426.513 5.398 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2sccc2[C@H]1C 14202225 XFRBUYIPFUCPOR-GOSISDBHSA-N 443.572 5.428 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F)c1ccccc1Br 14370752 KEZZPVHHIUAVBV-UHFFFAOYSA-N 427.220 5.069 0 40 IKAB COc1ccc(C2=N/C(=C/c3cccc(OCc4cccc5ccccc45)c3)C(=O)O2)cc1 15228979 FOICQUFYBPJLNB-YZSQISJMSA-N 435.479 5.772 0 40 IKAB COc1ccc(OC)c(S[C@@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)c1 16311904 KHZDLYZTLQNQAC-DEOSSOPVSA-N 440.992 7.080 0 40 IKAB CCN(CC)c1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 18125438 VOFULSJWBKORRZ-GYHWCHFESA-N 425.623 6.224 0 40 IKAB CCCc1ccc(C(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)OC(C)C)cc1 19635144 IGQJCEXXAILRRJ-UHFFFAOYSA-N 441.980 6.839 0 40 IKAB COc1ccccc1/C=C/C(=O)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccco1 19640792 MPGNSXZWEGYFEQ-BUHFOSPRSA-N 444.512 5.921 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccccc2F)cc1 19644258 TZCSPSVOOFRRFH-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)cc1 19648249 LUEPZDYBXMJDJH-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 19691254 LYGXHUKWQLWNPA-VWLOTQADSA-N 434.511 5.199 0 40 IKAB COc1ccccc1NC(=O)c1cnc([C@H]2CCCCN2Cc2ccc(C)c(C)c2)nc1C 19755657 YFEUEYRAMGSYAF-XMMPIXPASA-N 444.579 5.390 0 40 IKAB Cc1ccc(-c2sc(NC(=O)c3ccc(C)cc3C)nc2-c2ccc(C)c(C)c2)cc1 19894498 MBYHLUKFEKIPAB-UHFFFAOYSA-N 426.585 7.272 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1cccc(CN2CCOCC2)c1 20044123 YETYFPCTGZMCGI-UHFFFAOYSA-N 432.589 5.372 0 40 IKAB Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)Nc3nccs3)[nH]2)cc1 20182376 RRMOPBLXFMEDFU-UHFFFAOYSA-N 440.981 5.893 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 20492439 XZYCYBRXROAUFS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1csc(NC(=O)[C@@H]2c3ccccc3C(=O)N(Cc3ccccc3)C23CCCC3)n1 20716663 AIGIPBLDQWCWKQ-NRFANRHFSA-N 431.561 5.143 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)c1 20727059 VCJXTFYXDVMAJS-KRWDZBQOSA-N 431.279 5.037 0 40 IKAB CSc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20969919 IFCUJIHVHKWZGS-HSZRJFAPSA-N 444.535 5.825 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)c2c[nH]c3ccccc23)cc1 23573173 HIIXPRVQAGJMOF-HXUWFJFHSA-N 434.923 5.157 0 40 IKAB COc1ccc(NC(=O)COc2ccc(-c3nc(C(C)(C)C)cs3)cc2)cc1OC 32745474 ZBJRDXVFNBRUIX-UHFFFAOYSA-N 426.538 5.142 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 32855860 DDGLOCPYJUALBB-CVEARBPZSA-N 437.490 5.617 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 35074589 FKTNDNPXDYGRJP-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648086 SZVOPKPMMCFAPV-YVLHZVERSA-N 431.300 6.041 0 40 IKAB O=Cc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 35657394 ZZGDMXWLNDCENW-UHFFFAOYSA-N 438.930 5.910 0 40 IKAB CC[C@@H](CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)n1cc(Cl)cn1 36617881 AYJBCJVNGZQJOB-INIZCTEOSA-N 427.961 5.017 0 40 IKAB COc1ccc(CNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1OC 38486828 DAQRRMIZPNSJAY-UHFFFAOYSA-N 432.545 5.461 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(CN3CCCC3=O)cc2)s1 39981927 IIYHMPVGNXRNTI-UHFFFAOYSA-N 432.589 5.064 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 57428500 ZTZZLRNOKRGVLX-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCOC(=O)C(=O)N1c2ccc(C)cc2[C@](C)(c2ccc(Br)cc2)CC1(C)C 59428095 PTKWLSWTUGEVRJ-QHCPKHFHSA-N 444.369 5.142 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(F)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 59959040 KWKKLQHKJVGPOH-NDENLUEZSA-N 437.854 5.411 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C(C)C)c3)nc3cc(C)[nH]c3c2=O)cc1 67237213 KRKLWFVVVCUUOL-UHFFFAOYSA-N 446.576 5.185 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)N4CCCc5ccccc54)nccn3n2)cc1C 67289667 YMAFEFWVVHIDJC-UHFFFAOYSA-N 428.561 5.085 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@H](c4ccc(Nc5ncccc5C)cn4)C3)cc2s1 72353375 ZXPIMAQPJPSEMV-IBGZPJMESA-N 443.576 5.467 0 40 IKAB COc1ccccc1C1=NN(C(C)=O)[C@H](c2cn(-c3ccccc3)nc2-c2ccsc2)C1 96012505 AOAWERVDHAENQP-QHCPKHFHSA-N 442.544 5.307 0 40 IKAB CC(C)Oc1ccc([C@@H]2c3c(c4ccccc4oc3=O)O[C@@H]2C(=O)Nc2ccccc2)cc1 96115368 YJVPGCBTCMTAJV-RDGATRHJSA-N 441.483 5.112 0 40 IKAB biogenic O=C(c1ccncc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 96400845 SEHDOBWHDBZZQU-VVCLUNDRSA-N 429.470 5.797 0 40 IKAB CCCCCCn1nc(C)c(C(c2ccco2)c2c(C)nn(CCCCCC)c2O)c1O 100705144 BNLUOUJGONJOTO-UHFFFAOYSA-N 442.604 6.041 0 40 IKAB COc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 101054909 MXIRVGLZZCTMMC-LKSLQULUSA-N 433.507 5.119 0 40 IKAB COc1cccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1OC 102658456 BKAUOSXIBMXVIS-NRFANRHFSA-N 448.548 5.259 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102743256 BPCKCISMEYBLFD-RBZQAINGSA-N 426.516 5.035 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@H]4CCCCCCC[C@H]4c4c([nH]c5ccccc45)[C@@H]3C2=O)cc1 102948397 VCDXHZUBOZUMDL-CYMHYUIHSA-N 442.559 5.907 0 40 IKAB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 102984699 GWQANDHBBDBMJY-YZUKIZEGSA-N 433.507 5.012 0 40 IKAB O=C(NCCSCc1ccccc1F)c1ccc(OCCSc2ccccc2)cc1 216308233 QRUDECZDISHAJR-UHFFFAOYSA-N 441.593 5.660 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)cc2C)cc1 223193229 HAKULSGJBJYXIL-LJQANCHMSA-N 448.588 5.084 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 223375352 OBZUCGNJTAIDBH-JWQCQUIFSA-N 442.588 5.314 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 223507632 SEVRKCYAORJNHG-NRFANRHFSA-N 438.612 5.085 0 40 IKAB CCc1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)ccc1OC 223689005 APGPALFLCMMAOM-UHFFFAOYSA-N 447.940 5.513 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224074723 USWDTHBGFLNADM-JOCHJYFZSA-N 449.422 5.302 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224200225 ZEHDTRFPTBKKHX-DQEYMECFSA-N 430.621 6.101 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224318333 ZZLYHDXSOAKCAR-UHFFFAOYSA-N 439.555 7.022 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224392725 RRTGFOXVRYCHLI-HNNXBMFYSA-N 429.944 6.271 0 40 IKAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 224534292 UJKNKFRTTNYXEA-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 224615711 JOPLIUQKVKFZBX-DHIUTWEWSA-N 445.569 5.709 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3C)o2)c(OC)c1 224931254 CCUIJYHJIYXSEC-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225123213 VALIBAJJPPYMMT-QHCPKHFHSA-N 445.003 5.141 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225279470 LEPBGXSXNPSYAT-KRWDZBQOSA-N 433.935 5.856 0 40 IKAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225442503 NBPOCNPLGDNLMR-RUZDIDTESA-N 436.640 5.293 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(C(=O)N3CCCCC3)cc1)CC(C)(C)O2 225676117 SRKPNOPYARHWEO-NRFANRHFSA-N 437.609 5.210 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1C(=O)OC 225760996 JWFRXMRGFCHWNX-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB COc1cccc(-c2nnsc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c1 225767963 JRWSOOWMXIOEGC-UHFFFAOYSA-N 437.908 5.912 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)[nH]n1 257244497 ILPCMUVSMYDJCX-QGZVFWFLSA-N 426.948 5.004 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(F)cc1 408560900 FMSUOKVMLUPFHC-FLFQWRMESA-N 447.373 5.832 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3c(Cl)cccc3Cl)cc2)cc1 408578203 WTAZTBABBNFFEX-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)c1C 408646704 WCQJJBBNIRLAMU-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1Cl 408714455 RDBRDHVSJGFPJS-MRXNPFEDSA-N 441.959 5.422 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)O1 409069108 VBNDBTDEIDEQER-CIAFOILYSA-N 437.854 5.411 0 40 IKAB O=C(O)c1ccc(COc2ccccc2CNc2ccc(Oc3ccccc3)cc2)cc1 409116012 LGIZJZNPXUTHCS-UHFFFAOYSA-N 425.484 6.368 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409181693 FBAYFEJGXLQISN-PVEKBVMHSA-N 436.599 7.106 0 40 IKAB Cc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)c(C)c3)n2C)c(Cl)c1 409206907 NBTNZLDEAQZPQA-SGEDCAFJSA-N 447.003 6.740 0 40 IKAB Cc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(Cl)c(Cl)c1 409207532 WCIBAEGURHMIBK-UHFFFAOYSA-N 437.323 6.166 0 40 IKAB O=C1S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)N1c1ccccc1 409344851 JSBVAUJYJWYLDJ-UQQQWYQISA-N 437.520 6.660 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)cc1 682088 SEIQCTATOVVOBQ-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2cccc(C)c2C)c1C 871225 IEZMJLVLAQVLAU-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB CC(=O)N(c1c(Cl)c(Cl)c(O)c(Cl)c1Cl)S(=O)(=O)c1ccc(C)cc1 939204 GTPGMEKXPBPSPZ-UHFFFAOYSA-N 443.135 5.056 0 40 IKAB Cc1ccc(C(=O)CSc2nnc3c4c5c(sc4nc(C4CC4)n23)CCCC5)cc1 1339536 IPVQRUCRRBIXHH-UHFFFAOYSA-N 434.590 5.379 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1922017 HRLKGLNWADHYFC-MRXNPFEDSA-N 445.650 6.115 0 40 IKAB COc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3ccccc3n2)cc1 2073042 VAOCHZNTURYVNX-UHFFFAOYSA-N 434.289 5.892 0 40 IKAB aggregator CC(C)(C)c1ccc(-c2cc(C(=O)NCc3ccccc3Cl)c3ccccc3n2)cc1 2088246 UWCARSZJEKSWPR-UHFFFAOYSA-N 428.963 6.783 0 40 IKAB CCCCOC(=O)c1ccc(N2COc3c(cc4c(CCC)cc(=O)oc4c3C)C2)cc1 2116563 AJITUMZSQXXZQP-UHFFFAOYSA-N 435.520 5.367 0 40 IKAB biogenic CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2c(Cl)cccc2Cl)cc1 2336238 OKUHOUQDNJZSID-KMRXNPHXSA-N 442.323 6.003 0 40 IKAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2-c2cccc(C(F)(F)F)c2)n1 2706444 NPMFWKABBOSYBL-UHFFFAOYSA-N 439.532 5.486 0 40 IKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@@H](C)C3)sc2c1CC[C@H](CC)C2 2708163 PCEUAUHOKAPLBU-KGLIPLIRSA-N 431.623 5.878 0 40 IKAB Clc1ccc(-c2cc(-c3nnc4n3CCCCC4)c3ccccc3n2)c(Cl)c1Cl 3230777 GDBRMZREAHIXNT-UHFFFAOYSA-N 443.765 6.847 0 40 IKAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(-c2nc3ccccc3s2)s1 3325374 ATWBIKJOXFHHMD-UHFFFAOYSA-N 438.530 5.137 0 40 IKAB Cc1ccc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)cc1 3655349 HCZYMEUIIKYPFW-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CC[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846378 VPVSCDLLMXELSN-JUVHKJAHSA-N 446.672 6.721 0 40 IKAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@H](C(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 3846383 GNVGQELMUVQTKO-NTRMVETHSA-N 446.672 6.577 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)c2nc(-c3cccc(Cl)c3)oc2NCc2ccccc2)cc1 8682309 BEZYUVAQNFJEPB-UHFFFAOYSA-N 438.936 5.748 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F)c1cccc(Cl)c1 8810219 NYBFNVGFKAZHRZ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 8892275 HLYDHNXXNZTLMP-PKTZIBPZSA-N 447.325 5.798 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccccc4Cl)o2)N3)C1 8923116 VTMFBGBZMNRVMB-HXUWFJFHSA-N 427.957 5.857 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCC(=O)NCCC4=CCCCC4)ccc3c2=O)cc1 9049970 RLOOMABPSPUHLG-UHFFFAOYSA-N 447.531 5.163 0 40 IKAB biogenic COc1cccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)oc3ccccc3c2=O)c1 9252771 RLCCPDZVAWQJSX-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB CC(=O)c1sc(-c2ccc(OCC(=O)Nc3ccc(N4CCCCC4)cc3)cc2)nc1C 9322251 AKMWYWKBMXWQDS-UHFFFAOYSA-N 449.576 5.329 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(-c2ccccc2)cs1 9544910 KGQNCQZILLKMTL-CQSZACIVSA-N 425.604 5.732 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)ccc1Cl 9583326 XQIJMSQGAMKJGU-KRWDZBQOSA-N 425.941 5.054 0 40 IKAB C[C@H](NC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1)C12CC3CC(CC(C3)C1)C2 9630848 KGRJGMJGHMWSNO-IOAHRDFVSA-N 443.012 5.989 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(C(C)(C)C)cc4)c3c2c1 9675888 ZSJISHCVYUBOEV-UHFFFAOYSA-N 449.554 6.715 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2cccc(C)c2)c2ccccc21 9679475 ZBWPMGMYJKFMKL-IBVKSMDESA-N 428.532 5.293 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccco2)n1-c1ccccc1)[C@@H]1CCCc2ccccc21 9869317 PKNHXIBVEPEGKF-OAQYLSRUSA-N 444.560 5.155 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1C)C(=O)Nc1cc(Cl)ccc1Cl 9959774 VGIZRXKNTPSXDA-JTQLQIEISA-N 425.316 5.047 0 40 IKAB Cc1cc(C)nc(Nc2ncc(-c3ccccc3)n2-c2ccc(Oc3ccccc3)cc2)n1 10381846 LOLKNJCVIHEUOH-UHFFFAOYSA-N 433.515 6.482 0 40 IKAB CCC(=O)N1c2ccc(C)cc2[C@@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@H]1C 10383720 AGMNXXCMNDHQKT-RLWLMLJZSA-N 441.575 6.618 0 40 IKAB CCC(=O)N1N=C(c2cccs2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 10434529 VESQFUWRDJKXMF-QFIPXVFZSA-N 426.545 5.689 0 40 IKAB COc1cc(C)c(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)cc1OC 11211938 ARNPKKUXONYFLQ-UHFFFAOYSA-N 436.537 5.319 0 40 IKAB C[C@@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)Nc1ccc(F)c(F)c1F 11398450 NUHZWLZXBGCGEV-GFCCVEGCSA-N 440.377 5.096 0 40 IKAB Cc1cc(C)nc(Oc2cccc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2)n1 12032691 LRTVOEGSHYUCJR-AWEZNQCLSA-N 432.307 5.599 0 40 IKAB Cc1oc(-c2cccc(Cl)c2)nc1COC(=O)c1nnn(-c2ccc(Cl)cc2)c1C 12415621 KCHSQSKQRKDVBE-UHFFFAOYSA-N 443.290 5.203 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2SC[C@@H]2CCCO2)c(C)c1 12555607 CLUHPBKWPAXYJZ-QFIPXVFZSA-N 429.589 5.899 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1SC(F)F 13001196 FIBAEBUTBZEBIE-UHFFFAOYSA-N 427.472 5.315 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3nc4c(F)cc(F)cc4s3)cc12 13304893 LWGGYIOWFYPNRB-UHFFFAOYSA-N 426.473 5.536 0 40 IKAB O=c1c(-c2ccc(Cl)cc2)coc2c3c(ccc12)OCN(c1ccc(CCO)cc1)C3 13690748 CTAFLLVMMIUTBQ-UHFFFAOYSA-N 433.891 5.005 0 40 IKAB biogenic CCN(C(=O)COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 14360653 NVNMPZLRWSTXRQ-UHFFFAOYSA-N 442.437 5.659 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(O[C@H](C)CC)c2)c1 14831551 VZABGOZEUVMQRN-CQSZACIVSA-N 447.988 5.383 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)s1)Nc1ccccc1 15021565 ISEZCDKAODDVFH-UHFFFAOYSA-N 426.350 5.155 0 40 IKAB COc1ccc(-c2csc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)n2)cc1 16217458 UWMZZJVIJATZBR-VMPITWQZSA-N 435.332 5.786 0 40 IKAB COc1ccc(CCNCc2cccc(OC)c2OCc2ccccc2Cl)cc1OC 16228276 CEMYEOHQEWPMJL-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=S)Nc1ccccc1Cl 16268157 LHTFIMSBTRZGCB-UHFFFAOYSA-N 425.941 5.718 0 40 IKAB Fc1ccccc1CCNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 16449528 MVJUIABXIOQOKI-UHFFFAOYSA-N 438.757 6.697 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17099426 OIGJMAOGQZBMJO-UHFFFAOYSA-N 435.332 5.779 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3OC(F)F)o2)cc1Cl 17100798 XEBIXOYORDOOGA-UHFFFAOYSA-N 436.867 5.637 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294148 YZMNALVWKRSWEU-WOJBJXKFSA-N 443.526 5.094 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 20411523 QKPZGXCLFHDJOF-UHFFFAOYSA-N 440.565 5.568 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Br 20412099 VFVDEJUYOVDICV-UHFFFAOYSA-N 446.341 5.590 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC 20487737 HKFRVLPNISCSGQ-UHFFFAOYSA-N 437.561 5.147 0 40 IKAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(Oc3ccccc3)c1)SCC(O)=N2 20714619 XAVASKTZHIKNMU-OAQYLSRUSA-N 429.505 5.187 0 40 IKAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(N3CCN(c4ccccc4)CC3)ncnc21 21798035 REGHWWYLDSKJPG-UHFFFAOYSA-N 445.570 5.723 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(C)Cc3cnn(-c4ccccc4)c3)c3c(C)noc3n2)s1 25063948 ZSUGKECAQJDIPK-UHFFFAOYSA-N 443.532 5.026 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc(-c4ccc(C)cc4)s3)cs2)CC1 27913665 QOWRXWHQUQOZSK-UHFFFAOYSA-N 438.662 7.782 0 40 IKAB CCCN(CCC(=O)Nc1cc(Cl)ccc1Cl)Cc1nnc(-c2cccs2)o1 28896708 VCZSSZCIWVURRS-UHFFFAOYSA-N 439.368 5.346 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1 32905850 UIEUADIKSKVLQI-QGZVFWFLSA-N 429.545 5.828 0 40 IKAB Cc1nc2c(cc1NC(=O)c1ccccc1Cl)nc(C)n2Cc1cccc(Cl)c1 35288574 OVCUQHQLMIXFDJ-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB Cc1ccc(Cn2c(S[C@@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)nc3ccccc3c2=O)cc1 36247894 NYCDSYQGKJMODO-UFYCRDLUSA-N 449.620 5.023 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cc(Br)ccc1Cl 36360858 XADZDUSEWSYETK-UHFFFAOYSA-N 444.672 5.264 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 38752229 YYKZFPMSYHELJM-QHCPKHFHSA-N 440.406 5.897 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834010 KBBURDVIOMMGCW-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB CCc1ccc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)cc1 41076887 ISMBVCGTYOKAJS-UHFFFAOYSA-N 436.964 5.998 0 40 IKAB C[C@@H](NC(=O)CCOc1ccccc1-c1ccccc1)c1ccc(NC(=O)C2CC2)cc1 58168064 ZMRBRVAUKGKARL-LJQANCHMSA-N 428.532 5.348 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)C2CCCCC2)n1 72376881 RULSLJWJIGAWMM-IBGZPJMESA-N 432.490 5.379 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCCc5ccccn5)cc34)cs2)cc1 96154502 NXPNLXCKYGFGFT-UHFFFAOYSA-N 440.528 5.294 0 40 IKAB C[C@H](N)[C@@H](c1ccccc1)P1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1 98072777 BHRXRWRXVSJNML-BGOLNKOXSA-N 445.546 8.244 0 40 IKAB Cc1ccc2[nH]c(C)c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2c1 100156326 FFQGWODRRVGQFS-HDICACEKSA-N 448.592 5.529 0 40 IKAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1c1c(nc(-c3ccncc3)nc1Nc1cccc(F)c1)C2 100493456 NAFZHHPHLGCAKY-ICSRJNTNSA-N 447.514 5.418 0 40 IKAB CC(C)=CCCC1=CC[C@@H](C2OCC3(CC=C(CCC=C(C)C)C[C@H]3C)CO2)[C@@H](C)C1 100741624 MFGNVTISQZYJEE-WVIBSQDCSA-N 426.685 8.167 0 40 IKAB C[C@H]([C@@H]1C[C@H]2CC[C@H]1C2)n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccco1 103242943 UERTURUPPNSLDO-NEPXVJNWSA-N 447.564 5.878 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2)c(Cl)c1 107031433 JIWODJRCTJTJHQ-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222929468 MJABMICAEKMKQN-RUZDIDTESA-N 436.640 5.291 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222982085 BNGFBEYIZWKJMV-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)[C@@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 223738966 OOLZNEYUTQKEKX-DNVCBOLYSA-N 432.358 5.415 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(Cl)c(C)c1 224210579 UHXAGEPHUAOAMG-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1CSc1ccccc1 224322036 HOKWSLSQZAEMGC-UHFFFAOYSA-N 432.372 6.224 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc2ccccc2c1 224645464 IMQSZDLRRODHEU-UHFFFAOYSA-N 437.539 6.016 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc4cc(OC)ccc4c3)ccc21 225269397 SZDFESSUGRGLRR-UHFFFAOYSA-N 430.529 5.777 0 40 IKAB COc1ccc([C@@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225465841 GUTMIHMJRWJYIX-GOSISDBHSA-N 446.616 6.271 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2ccccc2)CC1 257277631 NYUGYUCHYWMPIA-UHFFFAOYSA-N 440.587 5.345 0 40 IKAB COc1ccc(OC)c(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1 257331663 XTTBGRRKZPCORN-LJQANCHMSA-N 434.511 5.233 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1ccc2ccccc2c1 408724203 HSNYAUKMVCLDRY-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OC)c2)cc1 409113424 FYHJEVSECPPSJA-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)c(C(=O)OCC)c1-c1ccccc1 409133372 MCYZOBVPJYBDFF-UHFFFAOYSA-N 437.517 5.329 0 40 IKAB C[C@@]1(Cc2ccc(C(=O)O)cc2)Oc2ccc(Cl)cc2[C@@H]1OCc1ccc(Cl)cc1 585264709 XREYDPRWHNSLFV-UPVQGACJSA-N 443.326 6.343 0 40 IKAB Cc1ccc(C)c2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265372 BABROZOEFKLRGM-KXEAFHOWSA-N 438.564 5.824 0 40 IKAB CSc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1 683123 CPOSATSHRQAVFC-JTQLQIEISA-N 445.176 5.340 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 714814 UJBSCEQIYILHIL-DEOSSOPVSA-N 441.531 5.261 0 40 IKAB biogenic CCC(=O)N1c2ccccc2[C@@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@H]1C 725743 APAMXHLGKORGCF-CLOONOSVSA-N 430.523 5.678 0 40 IKAB COc1ccc(CCN(C(=O)c2ccco2)c2nc(-c3ccc(C)cc3)cs2)cc1OC 932733 HRWDYIUPSNAZKL-UHFFFAOYSA-N 448.544 5.618 0 40 IKAB COc1cc(/C=C/C(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)ccc1OC(C)C 1892937 IQBKNXDIBAGVTO-VZUCSPMQSA-N 428.941 5.911 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 1940187 BLTUVYVJIKVEEK-UHFFFAOYSA-N 429.469 5.000 0 40 IKAB CCOC(=O)c1nn(-c2ccc(OCC)cc2)c(-c2ccccc2)c1C(=O)c1ccccc1 2181180 RQNRJXQBZICTQE-UHFFFAOYSA-N 440.499 5.346 0 40 IKAB CN1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 2359112 YKGZEKDUDOKSPX-GOSISDBHSA-N 434.348 5.157 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2411132 KHIOKGZPCZVYEJ-HXUWFJFHSA-N 432.501 5.015 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2cccc(C)c2)cc1 2444784 LKVGMRGOTCGVEF-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CC(=O)c1ccc(OCC(=O)Nc2sc3c(c2-c2nc4ccccc4[nH]2)CCCC3)cc1 2646082 IJDHVENUEVFPLA-UHFFFAOYSA-N 445.544 5.390 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3c4c(nc5ccccc35)CCC4)n2)c1 2663467 OFBALLBBPMXYQV-UHFFFAOYSA-N 431.517 5.117 0 40 IKAB O=C(Nc1cnn(CC(F)(F)F)c1)c1cccc(COc2cccc(Cl)c2Cl)c1 2796539 CNWWLFTWWOGIAR-UHFFFAOYSA-N 444.240 5.584 0 40 IKAB CC(C)(C)c1ccc(NC(=O)COC(=O)/C(=C/c2ccc(F)cc2)c2cccs2)cc1 3229722 FVFQEXKZPLTNAQ-RCCKNPSSSA-N 437.536 5.907 0 40 IKAB CCN(C(=O)COC(=O)c1c(-c2ccccc2Cl)noc1C)c1cccc2ccccc12 3229737 AAKJPCJGMMDAEC-UHFFFAOYSA-N 448.906 5.667 0 40 IKAB COc1cccc(-n2c(SCC(=O)c3ccc(Cl)s3)nc3ccccc3c2=O)c1 3273238 FUQYVCGGJFWTKS-UHFFFAOYSA-N 442.949 5.084 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc2c(c1)CCC2 3324778 PCBUURREGBAWRN-UHFFFAOYSA-N 444.535 5.293 0 40 IKAB CC(C)C[C@H](C)OC(=O)C(CC(=O)O[C@H](C)CC(C)C)CC(=O)O[C@H](C)CC(C)C 4403556 XBNWCMUBZMWBGY-AQNXPRMDSA-N 428.610 5.316 0 40 IKAB CCCCN(CCCC)c1ccc(C(=N)c2ccc(N(CCCC)CCCC)cc2)cc1 4522528 ODWADNRIWHRPJE-UHFFFAOYSA-N 435.700 7.916 0 40 IKAB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(C)c1 5554519 XIHMHGXLSXQEFT-UHFFFAOYSA-N 426.556 7.470 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)cc1Cl 6444230 ILBRDMXYIUYKIV-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc([C@H]2NC(=O)c3sc4nc5c(c(-c6ccccc6)c4c3N2)CCCC5)cc1 8386908 ZHDQPWYJDDPXMG-XMMPIXPASA-N 441.556 5.705 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)NCCc3ccccc3)c(C)c2c2occ(C(C)(C)C)c12 8613025 JYLKLBYBTJVIQK-UHFFFAOYSA-N 431.532 5.355 0 40 IKAB aggregator C[C@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 8683420 LAOSXDFJKGEUSY-RUMSDORHSA-N 440.330 5.875 0 40 IKAB COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 8706837 BHJMLRXGZGUPLC-CQSZACIVSA-N 445.346 6.117 0 40 IKAB O=[S@@](Cc1ccc(Cl)cc1)CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 8733521 SSTUNBWCHUQWAS-HHHXNRCGSA-N 439.791 5.832 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)c1 8752646 MZXBKRYQSNIPAF-UHFFFAOYSA-N 445.563 5.503 0 40 IKAB CSc1nc2ccc(Cl)cc2c(=O)n1-c1cc(OC(C)C)c(Cl)cc1Cl 8873353 KBJNKURAOOCGGG-UHFFFAOYSA-N 429.756 5.855 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 8985083 BRVOQLUYTAWBTP-UHFFFAOYSA-N 433.511 6.370 0 40 IKAB CCOC(=O)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCCC3 9008845 GLASFZRWVXWJTL-UHFFFAOYSA-N 435.574 5.441 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1Cl 9136168 WZAQYRBUMDRBPU-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)c1cccc(OCc2ccccc2)c1 9142358 WONHGGNIBBKDAY-UHFFFAOYSA-N 445.569 5.516 0 40 IKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9190025 QXKBOPHSPFAFFG-KBMIEXCESA-N 428.532 5.619 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)c3cccc(C)c3C)c(O)nc2c1 9431058 ZSNPNMQTGHJPJZ-UHFFFAOYSA-N 430.935 6.366 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)cc1)Nc1cccc(F)c1 9599215 LOZDIJCJFLVNNL-UHFFFAOYSA-N 429.948 5.713 0 40 IKAB C[C@H](OC(=O)c1ncc(Cl)c(Cl)c1Cl)C(=O)Nc1ccc(C(C)(C)C)cc1 9643467 MTNXKQFYKXUHSG-JTQLQIEISA-N 429.731 5.523 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1cccs1 9944306 MPCITEXGPKPRGQ-SANMLTNESA-N 438.527 6.781 0 40 IKAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccco1 10435171 QSKHVQSWKXFTLP-QFIPXVFZSA-N 430.895 5.483 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc2c1C 11867409 SMRQFTDQRPUXNG-UHFFFAOYSA-N 437.923 5.409 0 40 IKAB Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 12249981 ZJOBLIFYXSUJNT-UHFFFAOYSA-N 439.540 6.675 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(C)cc1)=NNC(c1ccc(Br)cc1)=N2 12486503 ZAIBBQRNASSSNF-UHFFFAOYSA-N 434.337 5.590 0 40 IKAB CN(C(=O)CSCc1nc2scc(-c3cccs3)c2c(=O)[nH]1)C1CCCCCC1 12762442 UHCZYSOMWZTBDB-UHFFFAOYSA-N 447.651 5.128 0 40 IKAB Cc1cc(NC(=O)c2ccc3c(c2)OCCO3)cc(-c2nc3cc(Cl)ccc3o2)c1O 12856569 QVHWHXQNVFVIJP-UHFFFAOYSA-N 436.851 5.186 0 40 IKAB Cc1nc(C2(NC(=O)c3oc4ccccc4c3CSCc3ccccc3)CCCC2)no1 12877624 FPKSQDCJQSHNKM-UHFFFAOYSA-N 447.560 5.757 0 40 IKAB CC(C)(C)c1ccc(OCCC(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1 13041626 JMLXTENANNUVPP-UHFFFAOYSA-N 434.502 5.121 0 40 IKAB Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2c1 13076278 RCBNMAPXMJAXQV-LLVKDONJSA-N 430.505 5.392 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@@H](C(=O)NC(C)(C)C)c2ccccc2)s1 13084433 IDOJWGJXENULSV-JOCHJYFZSA-N 449.620 5.680 0 40 IKAB Cc1ccc(N(CCC(=O)Nc2ccc3c(c2)CCC3)S(=O)(=O)c2ccc(C)cc2)cc1 13164248 MCTDUUNBOMQGPG-UHFFFAOYSA-N 448.588 5.016 0 40 IKAB C[C@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 14942194 YAJSIFOSQLROTL-ZDUSSCGKSA-N 445.407 5.213 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4F)ccc3c2C)c1 15729396 GHULWGFBQIEZGC-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)ccc21 16162946 XBASIGWYCIMUJI-UHFFFAOYSA-N 441.534 7.282 0 40 IKAB Cc1cc(Br)c2c(c1)C(=O)[C@@](CN1CCCCC1)(Sc1ccccc1)CO2 16284095 DXBFZQAEGZSPTN-QFIPXVFZSA-N 446.410 5.350 0 40 IKAB CC(=O)C[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758105 XZLQNGBVWLOETP-QGZVFWFLSA-N 435.980 6.509 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1cccc(F)c1 16788859 GTONJTJIWWQBGJ-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccc(F)cc1 17096273 JQSKPJZDZNTAON-FARCUNLSSA-N 429.083 5.011 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 17096780 CYNZAFQREZOWIZ-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4c(OC)cccc4OC)ccc3o2)cc1Cl 17102780 USAJOIQCXLYCAW-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1 17288790 MVUHQUIKLOSFAS-UHFFFAOYSA-N 449.601 5.664 0 40 IKAB CC1C[C@H](C)N(C(=O)c2cc3nc4c(c(C(F)(F)F)n3n2)CCc2ccccc2-4)[C@H](C)C1 18084247 BPVZMEUAWQSYSP-GOOCMWNKSA-N 442.485 5.163 0 40 IKAB CC(=O)Nc1ccc(Sc2cc(-c3nc4ccccc4s3)c3ccccc3n2)cc1 24990597 QHMFLXCRQYGNDQ-UHFFFAOYSA-N 427.554 6.621 0 40 IKAB CC1CCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)CC1 25011502 GFXKBANYGMYNAX-UHFFFAOYSA-N 443.576 5.238 0 40 IKAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@H]1CCCc2ccccc21 25395231 RABBJBVCRXHFAI-QFIPXVFZSA-N 445.950 5.463 0 40 IKAB Cc1cccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1C 26770826 CODHVVDXVUPHND-SANMLTNESA-N 440.612 7.436 0 40 IKAB CCN(C(=O)COc1ccc(C)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991120 NYFLEFZEKOXQNG-HHHXNRCGSA-N 428.532 5.502 0 40 IKAB NC(=O)c1ccc(CN(C(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)C2CC2)cc1 29266587 UYKMKHSOMVGAQS-WYMLVPIESA-N 436.964 5.372 0 40 IKAB Cc1nc(N(C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)c2cc(-c3ccccc3)sc2n1 32779237 QKEKITFBHDEMDR-HNNXBMFYSA-N 437.590 5.268 0 40 IKAB CC(=O)c1c(Oc2ncnc3scc(-c4ccc(F)cc4)c23)ccc2c(C)cc(=O)oc12 33575832 LGOUUDURLSYCGR-UHFFFAOYSA-N 446.459 5.907 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1cccc(F)c1 35400556 VNKRUDVYJXYGNP-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(C4CCCCC4)cc3)cc12 35533904 VKWVPXUKRWYJCL-UHFFFAOYSA-N 446.982 6.335 0 40 IKAB Cc1ccc(-c2noc(-c3c(NC(=O)c4ccccc4Cl)sc4c3CCCC4)n2)cc1 35671327 HRXFTCJMPFPEBM-UHFFFAOYSA-N 449.963 6.558 0 40 IKAB CC(=O)Oc1c(Cl)c(Cl)c(NS(=O)(=O)c2ccc(Cl)cc2)c2ccccc12 35686167 GUFDOSLPLHUQMM-UHFFFAOYSA-N 444.723 5.526 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36354534 JHZGSKUWSPEUID-XMMPIXPASA-N 428.507 5.199 0 40 IKAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)Nc3ccc(Br)cc3)c12 36613836 SUHJYAXDOMAJBF-UHFFFAOYSA-N 426.245 5.352 0 40 IKAB CN(c1ccc2sc(C(=O)NC3CCCC3)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 46058775 YALXWQQNAYNQAO-UHFFFAOYSA-N 448.997 5.052 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C1CC1 57522934 JWYFYJMZCFHQJW-UHFFFAOYSA-N 444.560 5.074 0 40 IKAB Cc1cc2oc(=O)cc(CN3CCN(c4cccc(C(F)(F)F)c4)CC3)c2cc1Cl 58158800 KAHFDQWOFSPIKA-UHFFFAOYSA-N 436.861 5.096 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)N[C@H](C)CCc4ccccc4)nccn3n2)cc1C 67289893 VWTJRWWNFXRARI-HXUWFJFHSA-N 444.604 5.243 0 40 IKAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nc2cc(Cl)ccc2c(=O)n1Cc1ccccc1 71863757 MUYPLXQQQXSDPT-HXUWFJFHSA-N 441.959 5.320 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N2CCCc3cc(F)cc(F)c32)cs1 71973579 QHTXYIIOEIUQGK-MDZDMXLPSA-N 439.487 5.099 0 40 IKAB CC(C)c1oc([C@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1 72307382 DUUCHJNVWAUUPV-GOSISDBHSA-N 430.957 5.644 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4ccccc4C(=O)O)o3)C2=O)c(C)c1 98086255 WQQCOZMZYUXGOV-MTJSOVHGSA-N 433.485 5.498 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 101001554 MCAJYCWBANOJCU-JRFVFWCSSA-N 446.934 5.316 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102703520 FWPXXWJCAFWHHE-RJGXRXQPSA-N 432.907 5.008 0 40 IKAB Cc1ccc(C(=O)Oc2ccc([C@@H]3C4=C(O)CC(C)(C)CC4=Nc4ncnn43)cc2)cc1 102858423 NJRVLEFVVIPAPW-JOCHJYFZSA-N 428.492 5.113 0 40 IKAB CC1(C)CC2=Nc3nc(S)nc(O)c3[C@H](c3cccc(Oc4ccccc4)c3)C2=C(O)C1 102925164 ITDRVXPRQKGHKR-LJQANCHMSA-N 445.544 6.113 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106700696 IIDUJUUSPRUWTR-GJUHEBOISA-N 436.360 6.407 0 40 IKAB 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(C)CCc2ccccc2)C1 118915032 QXDFHJAYYMOLSW-SYTJOKIQSA-N 436.680 7.600 0 40 IKAB CCOc1ccc(CNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1OCC 219767915 NWZJNLGTPBNDCT-UHFFFAOYSA-N 439.939 5.646 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 222682223 PJXHDLNLOCACLR-NSHDSACASA-N 448.177 5.006 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@@H]1CC(C)(C)Oc2ccc(OC)cc21 222938745 YCAKVPMTEKXWSG-YADHBBJMSA-N 425.569 5.569 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 223013271 GVDSVHAPGQBWFF-QHCPKHFHSA-N 425.981 6.737 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223091975 XGVZIVCZVUDPRX-RPWUZVMVSA-N 449.645 6.439 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223776725 XTNZIUUBHIFMSB-HSZRJFAPSA-N 429.004 5.305 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1cccnc1 224157301 KMYSJEWFXNWSCX-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccc2)N1c1ccc(Cl)cc1 224471613 WDSFWZPHPSSKKI-PKTZIBPZSA-N 430.964 5.703 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OC 225750558 TVXXPYVTFIBTPG-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c4ccccc34)CCOCC2)cc1 225781938 QMCLDGACZZRYCU-UHFFFAOYSA-N 433.548 5.570 0 40 IKAB COC(=O)c1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226340074 PSMNKQVGBBEYSK-UHFFFAOYSA-N 434.511 5.231 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccncc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242722993 YAVJNCRQEPHRIC-RGLPTZQCSA-N 439.684 6.175 0 40 IKAB O=C1CS[C@@H](c2c(OCc3ccccc3)ccc3ccccc23)N1c1ccc(Cl)cc1 408555015 GROCXMWEJCKACR-SANMLTNESA-N 445.971 6.851 0 40 IKAB COc1cccc(C(=S)NCc2ccc(Cl)cc2)c1OCc1ccccc1Cl 408573141 IMPIPJAYSLELOG-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB S=C(NCc1ccccc1)c1ccc(OCc2ccccc2Cl)c(Br)c1 408578581 YYUWTBZNWHZNCW-UHFFFAOYSA-N 446.797 6.147 0 40 IKAB CN(c1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 408602059 CBJKUMOHUZSWOE-UHFFFAOYSA-N 434.989 5.008 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Sc1nc2ccccc2o1 408633012 IXUAZTYIYLVJOD-YVLHZVERSA-N 432.284 6.612 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1)Sc1nc2ccccc2[nH]1 408635152 XIBQCRARYFQHKG-ZDLGFXPLSA-N 440.864 5.392 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408637808 AFINUDQVEXNFFG-LLVKDONJSA-N 442.140 5.056 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408643926 RZXAUZHDRPVENI-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@@H]2C1 408683332 MQPUAWNQMYUNRD-GDBMZVCRSA-N 429.303 5.091 0 40 IKAB COc1cccc(C(=O)C[C@@H](c2ccccc2Cl)S(=O)(=O)c2ccc(C)cc2)c1 408683493 LKKRQFZRKPUCHO-QHCPKHFHSA-N 428.937 5.445 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c1C 408696523 AKDTZVLPWSSMFG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(/C=C2/N=C(c3sc4cc(Br)ccc4c3Cl)OC2=O)cc1 408838688 HCVMVJMNPPTOMX-RIYZIHGNSA-N 448.725 5.670 0 40 IKAB COc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 409112281 LAFHEOYFIPOXNE-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB Fc1cccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)c1 409114995 GHCLULBCYHQKNG-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)cc(Br)c1OCc1ccccc1 409120821 UUXNMRQHANCDGM-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCOc1cc(C[C@@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F 409144180 INNAQNOYQSDMDO-SFHVURJKSA-N 437.920 5.083 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1cccc(Br)c1 409177353 FDNVGYGZDNGVFK-FQEVSTJZSA-N 429.697 5.884 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3cccc(OC)c3)n2C)cc1 409197119 WMIZRKBTDPSHHX-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1c(Cl)cccc1Cl 409272137 OWPLXVLGEMPWEA-UHFFFAOYSA-N 430.356 7.248 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2Cl)c1 409408128 ITKOPDNQVKKVCK-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccccc1[C@@H]1CCN(C(=O)c2cc3c(C)nn(-c4ccc(F)cc4)c3s2)C1 606337359 FHCLXACSZSAKRV-MRXNPFEDSA-N 435.524 5.173 0 40 IKAB O=C(c1cc(-c2cccc(Br)c2)nc2ccccc12)N1CCc2ccccc21 671752 QODBKTVNWAACFW-UHFFFAOYSA-N 429.317 5.867 0 40 IKAB Fc1cnc(Nc2ccc(Br)cc2)nc1Nc1ccc(Br)cc1 833297 MPSHOCKGSSXMFK-UHFFFAOYSA-N 438.098 5.628 0 40 IKAB COc1ccc(-c2coc3cc(OCc4ccc(Cl)cc4)cc(O)c3c2=O)cc1OC 1317802 LHCWCFLQWDNOEY-UHFFFAOYSA-N 438.863 5.415 0 40 IKAB biogenic Cc1nc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CC[C@H](C)C4)sc1C 1377312 XKCAGZVLWSEBSQ-JTQLQIEISA-N 444.651 5.498 0 40 IKAB CCc1ccc(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1816368 UYNJWAGQACNKTQ-UHFFFAOYSA-N 432.951 6.139 0 40 IKAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3ccccc3)c3cc(Br)ccc3n2)cc1 2088687 GCWNZMMJEFGBPB-QGZVFWFLSA-N 445.360 6.464 0 40 IKAB CCCCc1ccc(NCN2C(=O)S/C(=C\c3ccc(OC)cc3OC)C2=O)cc1 2166464 VBVLSWRNPRGIMH-BKUYFWCQSA-N 426.538 5.152 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2F)cc1C 2206458 XOPNGERFEJLCMQ-UHFFFAOYSA-N 427.479 5.216 0 40 IKAB Cc1ccc([C@@]2(C)CC(C)(C)N(C(=O)c3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 2270306 SNKARJWWWRPNBT-AREMUKBSSA-N 438.398 7.437 0 40 IKAB O=C1C(Nc2cccc(Cl)c2)=C[C@@H](c2cccc3ccccc23)N1c1cccc(Cl)c1 2344249 VUEGLIHZCMZNLA-VWLOTQADSA-N 445.349 7.231 0 40 IKAB CCCCCCOC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2383079 VYRZAHGQYCFFJZ-UHFFFAOYSA-N 436.943 5.606 0 40 IKAB Cc1nn2c(N3CCC(Cc4ccccc4)CC3)cc(C(C)(C)C)nc2c1-c1ccccc1 2408728 RDBQASHYNCPOEW-UHFFFAOYSA-N 438.619 6.461 0 40 IKAB c1ccc(-c2c(-c3ccccc3)c3ccccn3c2[C@H](c2ccccn2)N2CCCCC2)cc1 2546170 RVLYMVUGLVHRFS-PMERELPUSA-N 443.594 7.244 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 2632359 LASXIPZYIUPGHN-UHFFFAOYSA-N 435.405 5.758 0 40 IKAB CCCCCC(=O)Nc1ccc(C(=O)CSc2nnc(C)n2Cc2ccccc2)cc1 2647146 WFQKKVMWOFTGOT-UHFFFAOYSA-N 436.581 5.129 0 40 IKAB Cc1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccc(Br)cc1 3050293 HVQPEJUTKBTBOZ-UHFFFAOYSA-N 426.261 5.780 0 40 IKAB COc1cc(-c2cc(C(=O)NC3CCCCCCC3)c3ccccc3n2)cc(OC)c1OC 3213162 PEHHKVYVBIRQFK-UHFFFAOYSA-N 448.563 5.770 0 40 IKAB CCOc1cc(C(=O)Nc2ccc3c4c(cccc24)C(=O)N3CC)cc(OCC)c1OCC 3306609 FSRQFLDGWGUVND-UHFFFAOYSA-N 448.519 5.268 0 40 IKAB Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@H]2CCCO2)cc1 3444983 FAVHZOBQADFOEC-LJQANCHMSA-N 436.512 5.211 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(Cl)cc3)N2C1=O 3636809 RZVNHLSMKJNGHO-ICSRJNTNSA-N 440.952 5.122 0 40 IKAB COc1ccc(Br)cc1CNc1ccc(-c2nc3ccc(C)cc3s2)cc1 3672749 QDKWTBCVBBSEBA-UHFFFAOYSA-N 439.378 6.655 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)C2CCCCC2)cc1 6212758 FFZPKBOIZNYVTR-GSPPDTAYSA-N 426.601 5.920 0 40 IKAB COc1ccccc1NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 8706827 SVIVHTFPXLBBPE-UHFFFAOYSA-N 443.425 5.017 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1 8922414 PEZVLEVGLKFWGB-UHFFFAOYSA-N 438.281 5.222 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(c3c[nH]c4ccccc34)c3cc(Br)ccc32)cc1 8923744 MDAMXHMDIYRBNY-XMMPIXPASA-N 447.332 5.022 0 40 IKAB Cc1ccc(C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1S(=O)(=O)N1CCCCC1 8965586 OKGTZSFFWPWIPV-UHFFFAOYSA-N 442.625 5.669 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)cc1 9309791 CLGLAHGFJQRIDE-VXKWHMMOSA-N 448.313 5.193 0 40 IKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1ccc(Br)cc1 9369968 IJIOAXVDNUOUDM-LJJIPZOBSA-N 431.333 5.840 0 40 IKAB COc1ccc2c(CC(=O)Nc3ccc(Br)cc3Br)coc2c1 9507469 FIOVRMDPQTWJCT-UHFFFAOYSA-N 439.103 5.148 0 40 IKAB CC[C@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 9730813 AKDYSUBBXLTFJI-OUPRXKBMSA-N 449.392 6.677 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1)c1ccc2c(c1)OCO2 10040755 PUEOVOPWFPKVSW-UHFFFAOYSA-N 427.243 5.783 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)oc2cc1C 10120411 ZJOMSWFDFLWYHR-FYWRMAATSA-N 448.522 6.701 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)cc1 10333270 QXDBIQPUFCMZNO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3F)S(C)(=O)=O)cc2)cc1Cl 10336960 CCOOVQZAYYOZPK-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2nc(-c3ccc(OC(F)(F)F)cc3)sc2C)c1 11865766 UHCJDMOJFDYSEL-UHFFFAOYSA-N 435.427 5.228 0 40 IKAB O=C(Cn1nc(-c2ccccc2)nc1-c1ccccc1)N(c1ccccc1)c1ccccc1 12484798 LKMRTPWSSZNMFF-UHFFFAOYSA-N 430.511 5.977 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(C)cc3)=Nc3c2ccc2ccccc32)cc1 12485197 YAZOANRNZRSXJA-UHFFFAOYSA-N 433.555 6.761 0 40 IKAB O=S(=O)(N[C@@H](CNc1cccc2ccccc12)c1ccccc1)c1ccc(Cl)cc1 12559557 LCOMGTVLUFRISF-DEOSSOPVSA-N 436.964 5.625 0 40 IKAB CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 12659517 HSEWPIHTOBJTEK-BYNJWEBRSA-N 443.543 6.679 0 40 IKAB biogenic Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccc(F)cc4)o3)s2)cs1 12767044 WZCMSYSDKOLNFJ-UHFFFAOYSA-N 441.553 5.266 0 40 IKAB CCCOc1ccc2ccccc2c1CN(C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 12775683 MVBCNSUWSNCLKQ-UHFFFAOYSA-N 433.577 5.047 0 40 IKAB O=C(c1cnccn1)N(Cc1ccccc1)c1nc(-c2ccc(Cl)cc2Cl)cs1 12795209 UCDBQLBDPQSSFG-UHFFFAOYSA-N 441.343 5.754 0 40 IKAB COc1cc(OC)c(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1Cl 12995409 FOQFWSCUCKDVBJ-UHFFFAOYSA-N 429.885 5.183 0 40 IKAB O=C(c1cnccn1)N(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl 13007247 AICULXRDCMZOBL-UHFFFAOYSA-N 434.830 5.737 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)c1 13025918 IENZRDKWOODXBJ-RUZDIDTESA-N 446.547 5.352 0 40 IKAB C[C@@H](NCC(=O)N1CCC(c2nc3ccccc3s2)CC1)c1cccc2ccccc12 14185778 UXLOQKRHQLCPRE-GOSISDBHSA-N 429.589 5.506 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(c1ccccc1)c1ccccc1 14856932 FVFIKUNHDSZODC-UHFFFAOYSA-N 432.520 5.689 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2cccc(F)c2)Nc2nc3ccccc3n21 16284923 XFJKJXUDJIDMTJ-DEOSSOPVSA-N 426.495 5.829 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4cccc(Cl)c4C)nccn3n2)cc1 16991351 NKJZNCIUGHNGEN-UHFFFAOYSA-N 438.940 5.098 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 17096591 PNZZBOUOGQVWCH-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB C[C@@H](Oc1ccc(-c2ccccc2)cc1)c1nnc(S)n1-c1ccc2c(c1)OCCO2 17097574 OXYZHLMJMISLPO-MRXNPFEDSA-N 431.517 5.134 0 40 IKAB CC[C@@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 17099077 MMIGQYIGGHHAQM-QGZVFWFLSA-N 434.561 5.612 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccccn3)C(=S)Nc3cccc(Cl)c3)c2c1 17121899 LNOCDKSJPRZREM-UHFFFAOYSA-N 449.023 6.275 0 40 IKAB O=C(COc1cccc2ccc(N3CCCCC3)nc12)Nc1ccc(C(F)(F)F)cc1 17170575 XWLNLTAIJNZGAK-UHFFFAOYSA-N 429.442 5.261 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)cc1 19688469 UKSQRYQNPYINHD-RUZDIDTESA-N 432.539 5.461 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 20610970 QOKGZHMELOBJHG-CQSZACIVSA-N 441.318 5.442 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1Br 21410454 IIEPKVWJGKVUFU-GFCCVEGCSA-N 435.268 5.192 0 40 IKAB Cc1ccccc1-c1ccc(N2CCC(C(=O)Nc3ccccc3-c3ccccc3)CC2)nn1 22494065 XJOQWUJSIVAPKL-UHFFFAOYSA-N 448.570 5.974 0 40 IKAB Cc1ccc(-c2noc(-c3c(NC(=O)Cc4ccc(Cl)cc4)sc(C)c3C)n2)cc1 35671322 CLAAMPSOEQBVSG-UHFFFAOYSA-N 437.952 6.225 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38833950 PIQZOSHBHFNJNE-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCN(Cc2c(F)cccc2Cl)CC1 39772995 KLRBUJMLLZFFJX-UHFFFAOYSA-N 449.275 6.002 0 40 IKAB c1cncc(-c2nc(N3CCN(Cc4ccc5ccccc5c4)CC3)c3ccccc3n2)c1 57381119 LZTWZBVIJWKKMB-UHFFFAOYSA-N 431.543 5.167 0 40 IKAB COc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1 57511051 SOTKHOVKDOKCHZ-UHFFFAOYSA-N 440.528 5.289 0 40 IKAB CO[C@@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 59740687 FTYYHCYGKMGLQA-AWEZNQCLSA-N 431.355 5.141 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4C)cc(C)n3)C2)cc1 72356184 MOHUAGTUJBVRAU-VWLOTQADSA-N 441.575 5.267 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2C[C@H]2c2cccnc2)c1 78718333 LAJXWCQLQBVGQQ-VQTJNVASSA-N 425.410 5.095 0 40 IKAB Cc1cccc(C(=O)c2cncn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C 82048773 WPSPNQNZPWTZLN-UHFFFAOYSA-N 442.562 6.571 0 40 IKAB CCN(C(=O)c1cnc(-c2noc3cc(-c4ccccc4)ccc23)s1)C1CCCCC1 96154522 PJTKNZJXOSEYTN-UHFFFAOYSA-N 431.561 6.413 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1cccnc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102722588 MQGPCBFYKQYAIN-FQRUVTKNSA-N 448.526 5.889 0 40 IKAB CCN(CC)C(=O)c1c(-c2ccccc2)s/c(=N/c2ccccc2)n1-c1ccc(C)cc1 104823994 GBUJKZFMFMWEDI-BYYHNAKLSA-N 441.600 6.229 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 195528913 FDBXCQIAUYDMBI-MVZHPOHASA-N 430.481 5.487 0 40 IKAB COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c2ccccc12 222625471 WWMDEHHWOMDVKB-UHFFFAOYSA-N 445.346 5.287 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 222627367 AKPIRMWAPGQZOU-UHFFFAOYSA-N 441.962 5.826 0 40 IKAB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)cc2)CC1 222734610 AASMPIVCMAUCHE-UHFFFAOYSA-N 439.408 5.338 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223364562 YQWBMJJPEDBZPU-QFIPXVFZSA-N 449.422 5.603 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223372710 DYRIBMRVSQKERX-KCWPFWIISA-N 442.603 5.092 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 223496884 GZRDUXCEJUJWOJ-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 223741634 TXTJAVPLKZPSRN-UHFFFAOYSA-N 446.994 5.184 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 224065969 DKZXOAPFSRGCND-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224145162 KEXGEQYVBLIKDN-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCCC3)c2C)c1 224232613 QMQMVMAYKAOIRB-IZZNHLLZSA-N 444.648 6.491 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1 224643512 PYNRCXDHJXHAFE-GOSISDBHSA-N 445.028 5.049 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 225160650 MOFGPVNDZJXOPX-IBGZPJMESA-N 447.044 5.297 0 40 IKAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 225728459 RIBFBARKFQIBKY-WOJBJXKFSA-N 427.683 5.633 0 40 IKAB COC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 226336433 ZRMHMAGQCVRTQY-ZZXKWVIFSA-N 446.124 5.530 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)on2)c1 257271222 MXJUZHCWAXIIHS-HSZRJFAPSA-N 443.503 5.296 0 40 IKAB Cc1cc(C)cc(-c2ccc(CC3(C(=O)Nc4ccc(C(N)=O)cc4)CCOCC3)cc2)c1 257336119 YNGRLFOBNIYTCR-UHFFFAOYSA-N 442.559 5.047 0 40 IKAB COc1cc(C(=S)NCc2ccccc2Cl)cc(Cl)c1OCc1ccccc1 408572620 HKOFXMQTKRZWGQ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2Cl)cc1)Sc1nc2ccccc2o1 408634601 SFYYYDBEOYFIBS-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(C)c3C)n2)cc1 408695283 PJNHSJFZXGYFQR-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2cccc(Cl)c2C)n1 408698380 NBSYZRRTMKNMNO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCOc1ccc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)cc1 408973291 YEFVRZNGPSLXAB-UVTDQMKNSA-N 448.327 5.960 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(Cl)cc2C)c2ccccc2)cc1 408977835 FVXAADZDCJAVRN-JOCHJYFZSA-N 442.968 5.005 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc(Cl)c2)cc1 409111124 AKHWJKHWMYWSLJ-UHFFFAOYSA-N 435.980 6.203 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(I)c1OCC 409114959 FUKNSVIPHULMGG-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Cl)cc1Cl 409117224 LDPISQVTOYJORS-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB COc1cc(/C=C2\SC(=O)N(CC3CCCCC3)C2=O)cc(Br)c1OC 409131556 IUQNNOVCJTWBOW-YBEGLDIGSA-N 440.359 5.083 0 40 IKAB COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 409173947 PYNZYWXDZJCBSI-DHYWSWINSA-N 438.571 5.922 0 40 IKAB Cc1c(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C(C)C)cc3)C2=O)c2ccccc2n1C 409344670 HYVUAIIWAPHCOU-XKZIYDEJSA-N 447.560 5.285 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccccc4OCc4ccccc4Cl)c(=O)n3c2cc1C 409393604 RFIVZLMGTYZORH-QRVIBDJDSA-N 446.959 5.306 0 40 IKAB Cc1nc(-c2ccc(C(=O)N(Cc3ccccc3)Cc3ccc(C(=O)O)cc3)cc2)cs1 585091781 MRKOSDQMFZIUTJ-UHFFFAOYSA-N 442.540 5.659 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 606422412 XYWGHUBLYXUPOD-RHSMWYFYSA-N 434.754 6.184 0 40 IKAB CCc1ccc(S(=O)(=O)N2CCCCCCCCN(C(C)=O)c3ccccc3C2)cc1 643588246 FEOQJSJVXRJKRN-UHFFFAOYSA-N 442.625 5.147 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1NC(=O)Nc1ccccc1Cl 777886 BXNCDEAMLMAGLX-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB CC(=O)c1cccc(NC(=O)c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)c1 820964 XWOZCOCIKIVRAX-UHFFFAOYSA-N 432.483 5.518 0 40 IKAB O=C(COc1ccccc1)N(Cc1ccc(Br)cc1)c1cccc(Cl)c1 847940 AOEYCAVULVIQDT-UHFFFAOYSA-N 430.729 5.715 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 1327633 XCPAZIKFCQMPHH-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1ccco1 1341746 MYTGPBSVDACOCW-JOCHJYFZSA-N 440.927 5.359 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=S)Nc1ccccc1)C1CCCCC1)c1nnnn12 1346570 SKZJSFRIBCFRDV-UHFFFAOYSA-N 430.581 5.118 0 40 IKAB C[C@@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385965 LFTYTOOUFCVVQJ-CQSZACIVSA-N 443.305 5.715 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCCOc1ccccc1 1888640 BFLNISQNJXOPDQ-UHFFFAOYSA-N 432.951 6.356 0 40 IKAB Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Cl)cc2Cl)nnc1-c1ccccc1 2050016 RLDKEELJCMMTOE-UHFFFAOYSA-N 431.326 6.969 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](C)C2 2080082 QGDYTFSYAXOKJR-LLVKDONJSA-N 426.365 5.997 0 40 IKAB CCC[C@H]1Cc2c(sc3nc(SCc4ccc(Cl)cc4Cl)nc(N)c23)CO1 2209637 LTWSMYURLCHZBI-LBPRGKRZSA-N 440.421 6.114 0 40 IKAB CCC(CC)C(=O)N1c2ccccc2[C@H](N(C(=O)C(CC)CC)c2ccccc2)C[C@@H]1C 2313881 DWSBHSMKMDMHMO-RXFWQSSRSA-N 434.624 6.759 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1C 2341310 XAZWGGVJQHVRDP-UHFFFAOYSA-N 427.479 5.216 0 40 IKAB Cc1cc(I)ccc1NC(=S)Nc1ccc(Cl)cc1Cl 2638187 LEXYFFUATZKQOJ-UHFFFAOYSA-N 437.133 5.715 0 40 IKAB C[C@H](Sc1ncnc2sc3c(c12)CCCC3)C(=O)Nc1ncc(Cl)cc1Cl 2652909 CMYKFGGTRFTKJP-VIFPVBQESA-N 439.393 5.391 0 40 IKAB COc1ccccc1Nc1nnc(SCC(=O)c2ccc3c(c2)-c2ccccc2C3)s1 3224091 IXWTZFKGSFSXGA-UHFFFAOYSA-N 445.569 5.837 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1oc2ccccc2c1COc1ccccc1 3334911 JBBCNNXYCYQKIE-UHFFFAOYSA-N 428.488 5.101 0 40 IKAB O=C(O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc(Oc2ccccc2)c1 3335447 FBWVKRUTQNDKRG-NDEPHWFRSA-N 447.490 6.741 0 40 IKAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccccc1C(=O)c1ccc(Cl)cc1 3354832 JOSVLDOPXPDGPN-UHFFFAOYSA-N 443.282 5.448 0 40 IKAB FC(F)(F)c1cccc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)c1 3364514 OAIGTWJRWKGMCD-UHFFFAOYSA-N 435.858 6.492 0 40 IKAB Cc1cc(C)cc(-n2c(S[C@@H](C)C(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1 3477309 NQWDBLWFTULTHH-IBGZPJMESA-N 443.572 5.146 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCC(C)C)[C@@H](c3ccc(C(C)(C)C)cc3)N2C1=O 3636725 NHAJZQUDKTVZIR-AZUAARDMSA-N 428.598 5.222 0 40 IKAB CCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(C)c(C)c1 7003012 WBELRBLAGFGYPR-UHFFFAOYSA-N 426.630 5.092 0 40 IKAB O=C(Oc1ccccc1C(=O)COC(=O)c1cccs1)c1ccc(Cl)c(Cl)c1 8383459 DPZXFZRXMRLGPK-UHFFFAOYSA-N 435.284 5.314 0 40 IKAB C[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(Cl)cc1)N(C)C 8723975 JSBLFFAIGAQLLE-HNNXBMFYSA-N 439.972 5.491 0 40 IKAB COc1ccccc1[C@H]1CN2C(=O)N(c3ccccc3)C(=O)[C@]2(C)c2[nH]c3ccccc3c21 8789757 ZEMSPDMNSIAWTF-HRFSGMKKSA-N 437.499 5.006 0 40 IKAB biogenic CCN1C=C(c2ccc3cc(C)ccc3n2)[C@@H](c2c[nH]c3ccccc23)c2cc(C)ccc21 8846641 JGQMQCFHQANMOF-SSEXGKCCSA-N 429.567 7.346 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1C 8921981 FXESILDVOBIQGX-AREMUKBSSA-N 433.935 5.273 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@@H]21 9033197 OMDXLDUEOJWXPD-WNCULLNHSA-N 428.532 5.677 0 40 IKAB biogenic CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(F)cc1 9059728 NCBIUUJHRUWXGW-UHFFFAOYSA-N 434.515 5.466 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2C)CC1 9062910 CLHYLLVYOVTFKK-UHFFFAOYSA-N 444.644 6.446 0 40 IKAB CCCCN(CCCC)c1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9311232 ZXQYFXDMXGZFEV-UHFFFAOYSA-N 440.657 6.621 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 9447417 LENTWWHCTWPMLM-HSZRJFAPSA-N 428.488 5.579 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3nc(-c4ccc(C)cc4)no3)ccc2OC)cc1 9496245 BZDUIXIOFBWOCW-UHFFFAOYSA-N 443.503 5.301 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CC=C(c2c[nH]c3ccccc23)CC1 9514469 ZSSWAXHVGFZSCF-UHFFFAOYSA-N 440.874 5.318 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4cccc(Br)c4)OC3=O)cc2)c1 9724224 ACVQHEFFFTYIIE-XKZIYDEJSA-N 448.316 5.681 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccc(C)c(Cl)c3)c3ccccc3c2=O)cc1 9855631 JTALHZWSKHFHSU-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2sccc2-c2nc3ccccc3s2)cc1 10695301 NSMMFURUZBXPOM-UHFFFAOYSA-N 428.560 5.071 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)no1 11614359 PSUZDJJUKJINBF-OAQYLSRUSA-N 432.451 5.276 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCN=C1SCc1ccc(F)cc1 11757674 UWJISPGEJGZBPA-UHFFFAOYSA-N 429.904 5.188 0 40 IKAB N=C(NC1=NC2=Nc3ccc(Br)cc3C2=N1)N(c1ccccc1)c1ccccc1 12407424 VETCPIDMZDIVSS-UHFFFAOYSA-N 443.308 5.014 0 40 IKAB COc1ccccc1-c1nnc(SC[C@H](O)c2ccccc2)n1-c1ccc(Cl)cc1 12522409 CHISZWNPWPOJMV-FQEVSTJZSA-N 437.952 5.422 0 40 IKAB Cc1ccccc1CN(C)CC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 12529086 FFNRRPJHNGFQPC-GDLZYMKVSA-N 447.582 5.958 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2ccc(NC(C)=O)cc2)cc1 12748937 JTNZGCNZMFZIBA-UHFFFAOYSA-N 426.563 5.041 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cs1 12754713 KSNKFYJYNQLBAN-PEKVBPLLSA-N 444.560 5.107 0 40 IKAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 12980767 OZNAXPSWDFVRPC-YVEFUNNKSA-N 442.928 5.052 0 40 IKAB CN(Cc1ccc(Cl)cc1)Cn1nc(Cc2cccs2)n(C2CCCCC2)c1=S 13069222 ZBJZHTBRPOMTDA-UHFFFAOYSA-N 447.073 6.314 0 40 IKAB COCCn1c(SCc2csc(-c3ccccc3)n2)nc2cc(Cl)ccc2c1=O 13074599 NXTXMBZMPHZRDE-UHFFFAOYSA-N 443.981 5.112 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 13099093 JTVXZUYDLPTZHU-UHFFFAOYSA-N 429.907 5.941 0 40 IKAB CN(Cc1ccccc1N1CCOCC1)C(=O)/C=C/c1sc2ccccc2c1Cl 13120852 KOGGNBNASQQBQS-ZHACJKMWSA-N 426.969 5.063 0 40 IKAB CC(C)c1ccccc1Oc1nc(CN2CCOCC2)nc2scc(-c3ccccc3)c12 13128990 HNCCMUQIMVMTKA-UHFFFAOYSA-N 445.588 6.106 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(C(=O)c1ccccn1)c1ccc(Cl)cc1 13502416 IJBUIJJBUWDAEP-XMMPIXPASA-N 447.966 5.572 0 40 IKAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@@H](/C=C/c1ccccc1)C3 13638346 WKSNDAZUMOFOJB-SGQUHAKNSA-N 439.515 5.010 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 14273081 HJUOFEDHXRKGPW-UHFFFAOYSA-N 448.906 6.135 0 40 IKAB COc1cc(CNC[C@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 16214698 YZCXKRJLQDZCNK-NRFANRHFSA-N 432.347 5.404 0 40 IKAB O=C1c2ccccc2C(=O)N1CCCSc1nc(-c2ccccc2)c(-c2ccccc2)o1 16492186 OKCRPKLUUJYQTQ-UHFFFAOYSA-N 440.524 5.787 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 16688513 GLYCFNNXBRVHSD-QFIPXVFZSA-N 429.919 5.280 0 40 IKAB COc1ccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)cc1 16742557 MFJCMIHAEBPIPA-QHCPKHFHSA-N 445.902 5.822 0 40 IKAB Cc1sc(-n2nc(-c3ccccc3F)cc2-c2ccccc2F)nc1-c1ccccc1 17096480 DTIQOOMKLKDHLN-UHFFFAOYSA-N 429.495 6.916 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1 18230463 ZNSCBFLWRGJDLL-UHFFFAOYSA-N 431.355 5.283 0 40 IKAB Nc1c2c(nc3c1c(-c1ccccc1)c(-c1ccccc1)n3Cc1ccco1)CCCCC2 18285682 WRDDRYBEIPKMBW-UHFFFAOYSA-N 433.555 6.863 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(-c2ccccc2)cc1 19633033 SZSHELVLQDWMIP-UHFFFAOYSA-N 440.955 7.536 0 40 IKAB Cc1nc([C@@]2(O)CCCN(Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 19738687 CNIMHYJTYMKPTF-RUZDIDTESA-N 440.584 5.086 0 40 IKAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20036466 GYEZUFQPHUGTQH-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CCOc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 22076700 FSUOCPKDTMRNSY-UHFFFAOYSA-N 440.381 6.025 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccc2F)c1C 26770893 OTLJSXJXZACBRV-XMMPIXPASA-N 430.548 6.958 0 40 IKAB Cc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1Cl 27912671 IPQFBNCUNWKINW-UHFFFAOYSA-N 428.985 6.542 0 40 IKAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 28288484 YJNLJCSFWDGILQ-LJQANCHMSA-N 445.346 5.057 0 40 IKAB C[C@H]1C[C@@H]1c1ccc(CN(CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C2CC2)o1 30151210 DVONWJGJLIGIAR-LRDDRELGSA-N 426.866 5.678 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1 30756412 OZYJRZAPMZCXQM-JOCHJYFZSA-N 436.577 5.294 0 40 IKAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1CSc1nc2ccccc2o1 32722712 TXJNUYFEXRMNFO-UHFFFAOYSA-N 432.501 5.121 0 40 IKAB COc1ccc(-c2csc3ncn(CC(=O)Nc4ccccc4C(C)(C)C)c(=O)c23)cc1 32736380 OZXVFPAEYZEDGU-UHFFFAOYSA-N 447.560 5.070 0 40 IKAB O=C(Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1)c1ccccc1 34695327 LBUXWARNWCMOOP-UHFFFAOYSA-N 441.339 6.713 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 34896503 NORJLKQFPRGHIQ-HRAATJIYSA-N 431.985 5.484 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 35126107 XGNCCRZQRMWWRQ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 35334707 XNDSILOBNJOMMB-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C1N/C(=N/c2cccc(C(F)(F)F)c2)S/C1=C/c1ccc(Br)cc1 35647573 FHOJPIVOMCEAOB-RIYZIHGNSA-N 427.245 5.360 0 40 IKAB Cc1ccccc1-c1cc2c(SCc3nc(-c4cccc(Cl)c4)oc3C)nccn2n1 38651813 NKRYWOJNROPYRD-UHFFFAOYSA-N 446.963 6.614 0 40 IKAB CC[C@H](C)Sc1ccc(NC(=O)c2ccccc2OCCOC)c(C(F)(F)F)c1 60306165 MQXWXDUPFRTCOI-AWEZNQCLSA-N 427.488 5.874 0 40 IKAB COc1cc(-c2nnc(C3(c4cccc(Cl)c4)CCOCC3)o2)ccc1OC(C)C 71889729 QLOQOUMWPFXGIC-UHFFFAOYSA-N 428.916 5.282 0 40 IKAB Cc1noc(-c2ccc(C(=O)N3CC[C@@H](C)Sc4ccc(C(F)(F)F)cc43)cc2)n1 71943117 NNXSFHVOSDEGQY-GFCCVEGCSA-N 433.455 5.595 0 40 IKAB COc1ccc(CSc2nnc3cc(C)c4ccccc4n23)c(Br)c1OC 84129459 HMDUJAXQVMBYGD-UHFFFAOYSA-N 444.354 5.263 0 40 IKAB COc1ccc([C@H](CC(=O)NCc2ccccc2)c2c[nH]c3cccc(OC)c23)cc1OC 85875727 UGGXRUIKZULAOJ-FQEVSTJZSA-N 444.531 5.032 0 40 IKAB biogenic O=C(Nc1ccnn1Cc1ccc(Br)cc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 101075494 PRMFEOUSWKPRFJ-AJHHTPGJSA-N 448.792 5.210 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(C)C 106683991 KQYGAYHOFPBDGW-MTJSOVHGSA-N 445.968 6.010 0 40 IKAB COC(=O)[C@H](C)OC(=O)[C@@H](C)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118075404 LYUKJPSMOGBDCO-WDEREUQCSA-N 447.698 5.311 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC1 118935121 DUXQZAKZLLLKRV-KYYCGQPASA-N 440.712 8.475 0 40 IKAB C[C@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 216839497 RZZCGPHSEQOMKY-GASCZTMLSA-N 446.332 5.577 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219770863 OAZADGBDVZSPER-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695422 LRWLHYXHWGUCEH-LJQANCHMSA-N 443.396 5.300 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222678215 AKWNZQLWEHNHSM-GOSISDBHSA-N 447.044 5.463 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 222722170 YFILDRKWXLRGKK-UHFFFAOYSA-N 443.399 6.993 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)cc1 223077933 AMKHJIPGGRPGMR-UHFFFAOYSA-N 446.978 6.528 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 223111679 VUPXBOOJWIZGQF-YADHBBJMSA-N 438.000 5.226 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223413740 HYDQKMBNSKQKNX-BJKOFHAPSA-N 432.593 5.016 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223658090 QUYVLGNCGHRMGW-DEOSSOPVSA-N 440.653 5.509 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 223776653 ZEGMSHXXCYKYDM-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 223837973 MYCNASSPLMVNMN-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975409 WQMXFMYUPDZBAJ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(N2CCCCCC2)nc1 223989338 KMYYQPISAPMJLN-UHFFFAOYSA-N 443.060 5.914 0 40 IKAB Cc1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224315241 JIJOGSXVLUPJGH-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224374655 KOFXVWGLMRTEJT-CLJLJLNGSA-N 444.648 6.689 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)ccc1F 224895067 WKOYWQRHAKSBLQ-PKTZIBPZSA-N 432.524 5.149 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 225128497 BITIAPOJKQIAHO-LJQANCHMSA-N 426.988 5.139 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)N[C@H](C)c3ccc(Cl)cc3)n2)cc1 225201519 NSADMWVLJQOJRV-OAHLLOKOSA-N 441.988 5.628 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1 225341657 RVVJPNRRHQFYQT-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225357341 VRLOFJYFONZOJH-NRFANRHFSA-N 435.395 5.178 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1cccc(Br)c1)c1ccccc1 225615009 FTKQKIJBFMYJJP-INIZCTEOSA-N 437.337 5.121 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1O[C@H](C)CC 225683297 DKGOAGROKHYKAL-QGZVFWFLSA-N 427.516 5.630 0 40 IKAB COc1ccc(C2(NC(=S)Nc3ccc(C(=O)N4CCCCC4)cc3)CCCC2)cc1 225870915 QGXHZIGEOMACRF-UHFFFAOYSA-N 437.609 5.077 0 40 IKAB O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)c1cc2cc(Cl)ccc2oc1=O 226042246 HXCIYILIHDYYIC-UHFFFAOYSA-N 438.266 5.583 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@H]3C)n2)o1 260712898 KUVMEUCLIJWDMP-MRXNPFEDSA-N 437.569 5.036 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 408529504 IGMPIMYFUGAFLC-FYJGNVAPSA-N 437.973 7.041 0 40 IKAB COc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408574864 MZIWMCUPJPRGEB-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(CSc4ccccc4)cc3)ccc21 408575430 LFLYWJFRIUVJSB-UHFFFAOYSA-N 436.580 7.359 0 40 IKAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)N2CCCCCC2)cc1 408582572 DIPYFDAURAULAA-UHFFFAOYSA-N 429.586 5.327 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1 409067374 QNDJVLBKBDUIIA-HZHRSRAPSA-N 433.891 5.662 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1 409195230 SJQISVONPBGOLZ-OEAKJJBVSA-N 444.943 6.584 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409259068 ZJMJFNOGZYVOFS-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 651510 QLHUSOZUPUCYAY-RPWUZVMVSA-N 426.907 5.453 0 40 IKAB Cc1ccccc1NC(=O)CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1 827600 INDDLMPOQOLSTM-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1C(F)(F)F 901777 SGDQMKSUZGTIRL-UHFFFAOYSA-N 447.360 5.505 0 40 IKAB CC(C)(C)c1nc(SCC(=O)Nc2ccccc2Br)c2ccccc2n1 1342504 FRKWOTRGLBHHLR-UHFFFAOYSA-N 430.371 5.421 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1353232 IPRDTMOVAXEYAN-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB CCCOc1ccc(-c2csc3ncn(Cc4ccc(C(C)(C)C)cc4)c(=O)c23)cc1 1789832 KRARXWHJPUPUJJ-UHFFFAOYSA-N 432.589 6.260 0 40 IKAB CCCOc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1OCC 2170147 GXKXUDYHEZEUNU-UDWIEESQSA-N 449.931 5.903 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2-c2ccccc2)cc1 2446921 AXMOPMCGYWYOJW-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 2475880 USUKRHRKFGRIRR-CZXHOFHRSA-N 430.858 5.193 0 40 IKAB Cn1c(SCc2c(Cl)cccc2Cl)nnc1-c1ccccc1Br 2578396 DFRMNBFXHRVMAC-UHFFFAOYSA-N 429.170 5.844 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1oc2ccccc2c1CSC1CCCCC1 2652294 AKVLXUOWSPSMQR-UHFFFAOYSA-N 433.495 7.270 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCO5)cc1 2690324 XKTPEYKRMHHFAF-UHFFFAOYSA-N 427.435 5.128 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 3250242 IHJNSSKHUFJWAB-DEOSSOPVSA-N 426.472 5.089 0 40 IKAB c1cnc2c(Oc3nc(CN4CCCCC4)nc4sc5c(c34)CCCC5)cccc2c1 3311160 JPHCIZKEKSYGIX-UHFFFAOYSA-N 430.577 5.897 0 40 IKAB Cc1cccc(C)c1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 6161566 LLOPXUUMBPMEIW-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4C)ncc3Cl)sc2c1 8613867 PZHFLFIVXQWKHC-UHFFFAOYSA-N 440.981 5.901 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c(OC)c1 8736202 STXWXZRWQOQYLJ-IBGZPJMESA-N 442.606 5.550 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2cccc(Br)c2)s1 8766955 AZKONSJJOLCZEB-UHFFFAOYSA-N 444.141 5.918 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 8901330 IVLRZBUSWGFDNQ-UHFFFAOYSA-N 428.488 5.844 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NS(=O)(=O)c3cc(C)c(C)cc3C)ccc1O2 8961474 YEWOBTAUTLOLDA-UHFFFAOYSA-N 436.533 5.103 0 40 IKAB Cc1ncc(CO)c2c1Oc1nc(-c3ccc(F)cc3)nc(SCCC(C)C)c1C2 9116331 AGBPCGUSYXDVKH-UHFFFAOYSA-N 425.529 5.313 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl 9305341 KZBFLSUWXHMQQW-UHFFFAOYSA-N 442.730 6.121 0 40 IKAB CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCC3 9369277 BOKUXZVMYDGXDZ-UHFFFAOYSA-N 433.602 6.301 0 40 IKAB O=c1c2sc3nc(-c4ccco4)c4c(c3c2ncn1CCc1ccccc1)CCCC4 9423785 AWOZAULREWWANR-UHFFFAOYSA-N 427.529 5.388 0 40 IKAB O=C1CN(C(=O)c2cccc3ccccc23)[C@@H](c2ccc(F)cc2)c2cc(F)ccc2N1 9495362 DVTKBSKYZRYWCJ-VWLOTQADSA-N 428.438 5.302 0 40 IKAB CC(=O)c1cccc(OC[C@@H](O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 9608630 XHBFBAMGCKAEIE-LJQANCHMSA-N 443.594 5.140 0 40 IKAB C[C@@H](c1ccccc1)n1cnc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 9614325 JFIKFLBHVXGCIU-HNNXBMFYSA-N 431.948 6.766 0 40 IKAB COc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c3c2cnc2ccccc23)cc1OC 9676045 BELSHOVUWLFTMM-UHFFFAOYSA-N 429.907 6.220 0 40 IKAB CCCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nc2c(oc3ccccc32)c1=O 9751683 GIXKHNUMXMDBRH-UHFFFAOYSA-N 441.940 5.245 0 40 IKAB CN(Cc1ccccc1)C(=O)[C@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C 9851199 SQDKCGNJCMJJPT-TZIWHRDSSA-N 447.000 5.350 0 40 IKAB CCc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(C)ccc32)cc1 9855766 HUTYCVJBMGJJPE-UHFFFAOYSA-N 438.527 5.050 0 40 IKAB O=C(Nc1ccccc1)N1CCC[C@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 9872466 SVYSJXCLLMLUFF-GHTZIAJQSA-N 448.592 5.294 0 40 IKAB COc1ccc2cc(CN(C)Cc3csc(CC(=O)Nc4ccc(C)cc4)n3)ccc2c1 9884174 NAYIYGMSVCZQRN-UHFFFAOYSA-N 445.588 5.427 0 40 IKAB CC(C)CCSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1 11758354 QYZNISCCUIJEFJ-UHFFFAOYSA-N 438.622 5.084 0 40 IKAB FC(F)(F)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 12617491 WTXRAXOOLHNSNI-IRLDBZIGSA-N 428.841 6.601 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(OC)cc2)c2c(C)oc(C)c12 12659531 QBOPQAWGNMHVCI-ZZIIXHQDSA-N 445.584 7.078 0 40 IKAB biogenic O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1cc(Cl)sc1Cl 12786969 YIBHYYHMFYWJJO-UHFFFAOYSA-N 449.388 6.105 0 40 IKAB C[C@@H](NCCSc1ccc(Cl)cc1)c1nc(=O)c2c(-c3cccs3)csc2[nH]1 12820129 LWUARQFBSWANHW-GFCCVEGCSA-N 448.038 5.809 0 40 IKAB Cc1cc(=O)oc2cc(OCc3nc(-c4cccc(Br)c4)no3)c(Cl)cc12 12864915 OBFOALZELDXRMA-UHFFFAOYSA-N 447.672 5.146 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 12878805 MOVMNNYNUOQXCE-UHFFFAOYSA-N 442.953 5.045 0 40 IKAB COCc1c(C(=O)O[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c12 12926452 HFJFNTWSFTYYKE-HNNXBMFYSA-N 429.513 5.296 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2ccc(Cl)s2)n1Cc1ccccc1 13027046 FPRQVWOLNPTMQY-UHFFFAOYSA-N 429.954 5.585 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(OCc2ccccc2)cc1 14270352 IPVFHDWTXFAYHB-UHFFFAOYSA-N 447.343 5.405 0 40 IKAB O=C(CCCCCCCCCCC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 16428231 FQMRBYPUNIAWKO-UHFFFAOYSA-N 449.422 7.472 0 40 IKAB Cc1cccnc1N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1 16736368 RGKADQYFWIDCHW-IBGZPJMESA-N 447.288 5.009 0 40 IKAB Cc1ccc(NC(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c(Br)c1 18140613 RZHLRKJTNLVUPW-BAUKFBFWSA-N 441.207 5.820 0 40 IKAB Cc1ccccc1NC(=O)Cc1nc(-c2cc(C)n(CCc3cccs3)c2C)cs1 19542479 MLOQAVCCZKBETJ-UHFFFAOYSA-N 435.618 6.022 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1cc(C(=O)O)ccc1Cl 20150925 NYQNNLHJTJNRPW-RMKNXTFCSA-N 436.678 6.257 0 40 IKAB CCc1ccccc1NC(=O)N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20213685 UGZQWTZRXPDNHH-NRFANRHFSA-N 432.911 5.864 0 40 IKAB COc1cc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)cc(OC)c1Br 24471930 XLVBOXZOSJKGBO-UHFFFAOYSA-N 444.247 5.078 0 40 IKAB COc1ccc(OC[C@H](O)CN(Cc2ccco2)Cc2ccc(Cl)cc2Cl)cc1 28580889 QKGSUDDSUDWAHB-GOSISDBHSA-N 436.335 5.037 0 40 IKAB Cc1cc(NC(=O)c2cccc(OC(C)C)c2)ccc1NC(=O)c1cc2ccccc2o1 32111988 GIEMMFSKDYIXAJ-UHFFFAOYSA-N 428.488 6.033 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Cl)c1OCc1ccc(Cl)cc1 33595035 FSFNBNBNYNNHPJ-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C1N=C(O)/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccco1 33663555 NJNPKJUGHICVTF-LDADJPATSA-N 436.851 5.014 0 40 IKAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2c(Cl)cccc2Cl)cc1 36612122 LRXMEVDWKPMXFR-UHFFFAOYSA-N 438.314 6.010 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4cccc(C)c4C)cc3)cc(=O)n2o1 41089711 DPGFTKZTRJSFIU-UHFFFAOYSA-N 434.521 5.149 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 48286724 HEBOOVWOUMFNKF-OAQYLSRUSA-N 431.580 5.213 0 40 IKAB CCOC(=O)c1cnc2ccc(Br)cc2c1N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 49581308 JOYMLOCALWUPDJ-NYHFZMIOSA-N 431.374 5.579 0 40 IKAB Cc1c([C@H](C)NC(=O)/C=C/c2ccc(OCc3ccccn3)cc2)cnn1-c1ccccc1 58158175 DPEXSYREVIOVMD-YFIXDKARSA-N 438.531 5.045 0 40 IKAB Cc1cccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1 67294971 SJOUETRPCYLWMJ-LVWGJNHUSA-N 434.293 5.383 0 40 IKAB Cn1c(-c2cccc(NC(=O)c3cccc(NC(=O)c4ccco4)c3)c2)nc2ccccc21 72273090 XRARDQZRBNKFKH-UHFFFAOYSA-N 436.471 5.338 0 40 IKAB CCCN(C(=O)Cc1ccc(OC(F)F)cc1)[C@H](c1cccnc1)c1ccc(F)c(C)c1 72300888 UHIIJCQKHPXYPQ-DEOSSOPVSA-N 442.481 5.701 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(O)cc2)c2c(C)nn(-c3ccccc3)c2N1 72332719 NTKFCLFBHJMUJL-VWLOTQADSA-N 436.515 5.356 0 40 IKAB CCOC(=O)c1nc(-c2ccccc2)oc1CSc1nc(Cc2ccccc2)c(C)[nH]1 78953721 BMQMNPSHXYFYPO-UHFFFAOYSA-N 433.533 5.433 0 40 IKAB Cc1cccc(NC(=O)N2CCC[C@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1 84211051 COSYXTBQOWRANO-IBGZPJMESA-N 447.510 5.809 0 40 IKAB COCCn1c(C(=O)NCc2ccc(F)cc2F)cc2c1c1ccccc1n2C(C)C 96037312 MXQIXFCVAROCRU-UHFFFAOYSA-N 425.479 5.032 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1cccc(F)c1 100967680 FOGUVKOKUQBLPP-NFQMXDRXSA-N 426.491 6.396 0 40 IKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc3c(c2)OCO3)c1 101350309 KIBJCZXWLRQMEM-UHFFFAOYSA-N 449.846 5.103 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C(=O)O)cc2)cc1 102093699 ZRHFBCGGZHHNBG-SJUWYAIISA-N 431.532 5.484 0 40 IKAB Cc1cc(C(=O)COC(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)n1Cc1cccs1 102263461 SYEDOQDMYXMTCB-RDNZODCXSA-N 446.012 5.518 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OC 106993617 JMCWMGUUHRSKHP-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 107028229 DWSLUZSENUHVGY-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3c(F)cccc3Cl)cc2)C(=O)N1c1ccccc1 113832376 VGYFXAHYKJJEIM-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)cc1 214450097 FJFFKIAYIPUFQW-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220252820 GRGKSEMHBLLMRR-CQSZACIVSA-N 443.396 5.218 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCC2 223224730 MCUBGQYNUMSCLK-INIZCTEOSA-N 431.407 5.572 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223954115 DWBJKNGQZBBIAO-QGZVFWFLSA-N 433.986 5.588 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 224034496 FCQXOLAQRQFNFM-XMMPIXPASA-N 440.653 5.243 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1C 224215912 FBLWXQSQSKYPPJ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224276052 GWILKMCVOGCEGI-IBGZPJMESA-N 447.044 5.071 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 224342920 BGIIDCVULVQBQS-IZZNHLLZSA-N 438.600 5.920 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224544731 QVRXJEMQZRLTBE-BJKOFHAPSA-N 427.529 5.527 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cc(C)cc(C)c1C 224612753 DIFLZRCGPOBRMX-UHFFFAOYSA-N 446.547 5.800 0 40 IKAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224653649 WRRDMNJBVYQOAY-RPBOFIJWSA-N 440.572 5.872 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)c1 224674928 UXUWLHZYUSQSCY-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(C/C=C/c2ccccc2)CC1 224896417 ZZONWJMASAXAAQ-FMIVXFBMSA-N 449.554 5.480 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)ccc1F 224905764 VSDIARPTOXWWRV-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224933422 NALOBUOVWLOPQV-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3CC4(CCCCC4)Oc4ccccc43)cc2)n1 225285115 BWCRTQFVBHGXDH-DEOSSOPVSA-N 429.564 5.505 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225326068 FOPIBVOQVGJVHY-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225349600 BEMBRXPDIOJGSP-UHFFFAOYSA-N 428.403 7.033 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225522476 DCCABHGLFCZDNW-WXVAWEFUSA-N 444.619 5.803 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c1 225604912 FKOPLWCHEGVOQC-UHFFFAOYSA-N 427.639 5.040 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC 225753415 IAMULFDTMZYXJP-QGZVFWFLSA-N 425.525 5.110 0 40 IKAB Cc1nn(-c2ccccc2)c2nc3c(c(-c4cccs4)c12)CC/C3=C/c1cccs1 226760045 RTVPJTFTVBLCJL-ICFOKQHNSA-N 425.582 7.006 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408693830 FPFMNDWNLFYVJT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cccc(Cl)c2C)cc1 408699944 XPEMBTJZIKXKGG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(OCC)cc1 409111538 COXGDBSOKWQHAA-UHFFFAOYSA-N 443.179 6.011 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)c(C)c2)cc1OCC 409120565 UHAKWTIOYOXXLR-UHFFFAOYSA-N 439.337 5.708 0 40 IKAB CCCCOC(=O)c1cc(NC(=O)CSc2nc3ccccc3s2)ccc1Cl 409181183 YQGOEYMWLQSCES-UHFFFAOYSA-N 434.970 5.637 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(OC)c2)cc1 409250231 LVZZVWCACCWSBR-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1CCc1ccccc1Cl 585266071 DEFALRYKALCGBW-NRFANRHFSA-N 442.346 5.608 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)CCCOc2ccccc2F)Cc2ccccc21 643553374 PDTYLJZBVNKKQE-UHFFFAOYSA-N 440.559 5.331 0 40 IKAB CCn1nc(-c2ccccc2)cc1C(=O)N1CCCCCCN(Cc2ccccc2)CCC1 643561678 AMNKTMAPVNUFAU-UHFFFAOYSA-N 444.623 5.479 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(Cc2ccc(F)cc2)Cc2cc(C(=O)O)ccc21 643583194 XIDNWRDGNUFSFL-UHFFFAOYSA-N 440.559 5.479 0 40 IKAB Cc1cc(OC[C@@]2(CC(=O)N3CCCCC3)CCCN(C(=O)CC(C)C)C2)ccc1Cl 2037905449 IOMVFYOPZDJSGY-RUZDIDTESA-N 449.035 5.085 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccncc2)cc1 663992 HEDNWAFAQHLUPO-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB CC(=O)N(CC[C@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC(C)C)cc1 915647 VCRKRTIIHLUAOB-AREMUKBSSA-N 445.559 5.773 0 40 IKAB biogenic COC(=O)c1c(NC(=O)c2ccc(OC(C)C)cc2)sc2c1CC[C@H](c1ccccc1)C2 2088170 SEXPHVUDCIXOLT-IBGZPJMESA-N 449.572 5.847 0 40 IKAB CCCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc(Oc2ccccc2)cc1)CO3 2115571 BIGXGHMXMIULNK-UHFFFAOYSA-N 427.500 6.203 0 40 IKAB biogenic CCOc1ccc(-c2nc(N(C(=O)CC)c3cccc(Br)c3)sc2C)cc1 2170823 ZQCOTCUSAUSPDT-UHFFFAOYSA-N 445.382 6.354 0 40 IKAB CCCCc1nc2sc3c(SCC(=O)N4CCCCC4)ncnc3c2c2c1CCC2 2284258 VVDVDNRRHNRIBU-UHFFFAOYSA-N 440.638 5.175 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)c1C 2658737 BURWWAJMPBKFEP-UHFFFAOYSA-N 448.544 5.253 0 40 IKAB CCOc1ccc2nc(NC(=O)CSc3nc4cc(Cl)ccc4s3)sc2c1 2806788 MFRRTEHKKWCTOS-UHFFFAOYSA-N 435.983 5.689 0 40 IKAB CCOP(=O)(NSc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)OCC 3214541 PNMOUZFRJSIGHN-UHFFFAOYSA-N 433.508 6.731 0 40 IKAB COc1cccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)c1 6075263 CMKXSONGYWCFRY-OAHLLOKOSA-N 426.607 5.826 0 40 IKAB CN(C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2)C12CC3CC(CC(C3)C1)C2 6878610 NWCXUSQITRHCNT-GRWLRTQVSA-N 448.489 5.177 0 40 IKAB Brc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 8442311 MPMCCKCTRJXIDK-RUZDIDTESA-N 442.356 6.882 0 40 IKAB COc1ccc(-c2cc(=O)oc3cc4occ(-c5ccc(Br)cc5)c4cc23)cc1 8964567 NZCXJNRHRYAPCI-UHFFFAOYSA-N 447.284 6.644 0 40 IKAB biogenic COCCn1c(-c2ccc(Cl)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 9060325 GVARTGAGMOZYGD-UHFFFAOYSA-N 427.935 6.437 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063390 HIWIVNKSFBLDBY-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccccc1-c1ccccc1 9377448 JEMIAAMKDZWEFM-UHFFFAOYSA-N 431.923 6.109 0 40 IKAB O=S(=O)(/C(=C/c1cccc(C(F)(F)F)c1)c1nc2ccccc2[nH]1)c1ccccc1 9631484 WHIBJKKWUAVFGV-XSFVSMFZSA-N 428.435 5.554 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)NCCc4ccc(Cl)cc4)cc3)c2O1 9659780 PDKLFLORVXZNSM-UHFFFAOYSA-N 435.951 5.605 0 40 IKAB CC(C)c1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCOCC3)n2)cc1 9708859 SHZQHZITTIUJHH-UHFFFAOYSA-N 432.572 5.442 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)n1CCc1cccs1 9713811 TVLRZVUCDZINAA-UHFFFAOYSA-N 426.611 5.188 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 9869769 ZPQZHLYVVQKMKR-SFHVURJKSA-N 445.544 5.743 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)cc2C)cc1Cl 10119198 NAVABXPJLYYSHK-UHFFFAOYSA-N 432.907 5.707 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1C 10212480 PTJAUKLYOFFCLE-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1c(CCC(=O)NCCc2ccccc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 11867414 RHFMVQJBXRNVOO-UHFFFAOYSA-N 445.559 5.745 0 40 IKAB COc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1OC 12311548 AJYPLPDJDYSEFA-UHFFFAOYSA-N 430.554 6.512 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c1 12581576 BFXGLIWVJMDFMX-RUZDIDTESA-N 430.548 5.070 0 40 IKAB C[C@@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1cc(Cl)ccc1Cl 12596070 GAGVHDJSHCKWMW-GFCCVEGCSA-N 432.303 5.341 0 40 IKAB COC(=O)c1ccc(C)c(NC(=O)c2cc(-c3cc(C)oc3C)nc3c2cnn3C(C)C)c1 12817924 JPZTVXMOJIXSCH-UHFFFAOYSA-N 446.507 5.236 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OC 12823552 IXVGCVVVNAVMJK-OAQYLSRUSA-N 443.503 5.193 0 40 IKAB CCOc1ccccc1/C=C/C(=O)N(Cc1ccccc1)[C@H](C)c1cccc(NC(C)=O)c1 12856950 USJQQFCUMORJJG-RURFIKTLSA-N 442.559 5.847 0 40 IKAB CC1CCN(Cn2nc(-c3ccc(C(C)(C)C)cc3)n(Cc3ccccc3)c2=S)CC1 13097603 CZTSXPIXOZBDRW-UHFFFAOYSA-N 434.653 6.116 0 40 IKAB CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(C(=O)c1ccoc1C)c1cccc(C)c1 13503525 NQORFEGXSKSKDF-QHCPKHFHSA-N 436.527 5.728 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1CC 13842683 VTXXLFBJYKRVQC-UHFFFAOYSA-N 438.597 5.294 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 14272304 HQRMLUYBJROXFK-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 16214711 FOYIDJQKPCMBHX-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)c(O)c1)c1cc2ccccc2oc1=O 16525598 DNABPMDMBAGZQL-UHFFFAOYSA-N 432.819 5.213 0 40 IKAB Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)NC4CCCCC4)n3)nc12 16978854 FHHCODMMXMWLGH-UHFFFAOYSA-N 443.598 5.087 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)o1 17096168 OUMPVIDMUZUOGQ-UHFFFAOYSA-N 428.822 5.577 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nn4c(CC)nnc4s3)ccc2C)c1 17099648 DVFHNRBDUKTFAC-UHFFFAOYSA-N 435.553 5.155 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 17270017 YMHFVAKHESCKGU-UHFFFAOYSA-N 432.545 6.490 0 40 IKAB CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1ccc(Cl)cc1 17315933 MQWIREYJVUVSLO-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB O=C(C1CCCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373086 SCOMEICGUWSSHC-OAQYLSRUSA-N 427.552 5.178 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 21595867 SVERIYTVSOGESC-UHFFFAOYSA-N 427.548 6.324 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCC[C@H]1c1cccs1 21845938 IURLKYFIQJZDJG-KRWDZBQOSA-N 437.615 5.876 0 40 IKAB CCc1n[nH]c(=S)n1NCc1ccc(OCc2c(Cl)cccc2Cl)c(OC)c1 22110516 RCZDIPQNUNYGGP-UHFFFAOYSA-N 439.368 5.141 0 40 IKAB Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 22274775 PNMGCGHJUHIVFO-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C 27225120 ZBORQEVREPZQPQ-UHFFFAOYSA-N 438.531 5.110 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3C(=O)c2ccccc2)cc1 28206681 KIMIGAZQUARLBT-UHFFFAOYSA-N 434.561 5.033 0 40 IKAB Cc1ccc(-c2nc(NC(=O)COc3cccc(C)c3)sc2NC(=O)c2ccco2)cc1 32624620 PBARBADONRHTHV-UHFFFAOYSA-N 447.516 5.290 0 40 IKAB Cc1ccc(-c2nc(NC(=O)COc3ccccc3C)sc2NC(=O)c2ccco2)cc1 32624629 VHNQYLRINGRGTA-UHFFFAOYSA-N 447.516 5.290 0 40 IKAB COc1ccccc1-c1noc(CSc2nc(-c3cccs3)nc3ccccc23)n1 32668376 FWKVAGMZZRNQJG-UHFFFAOYSA-N 432.530 5.709 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccc(Cl)cc1 32900679 QVPQTYDPYCGFOS-DEOSSOPVSA-N 442.003 5.311 0 40 IKAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 36397532 LUNNRLYDPIBOQQ-ZDUSSCGKSA-N 449.885 5.289 0 40 IKAB CC(C)(C)C(=O)N1CCC(C(=O)N[C@H](c2ccc3c(c2)CCCC3)c2cccs2)CC1 40017249 ALVKVMPXZNBQEE-HSZRJFAPSA-N 438.637 5.117 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 44792035 ISWCSBKQCLDZLT-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078876 IDPRZIFMEOWYNY-UHFFFAOYSA-N 426.850 5.464 0 40 IKAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccc(C(C)C)cc2)c1 57486303 LNPYZBVDGQBNMM-UHFFFAOYSA-N 435.593 5.501 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3c(C)oc(C)c3Br)n2)cc1Cl 57986315 MCFDKXHTCCALCZ-UHFFFAOYSA-N 441.734 5.697 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)cc1 58960186 UJNNSDBADOAJEP-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB CSc1ccc(CNC(=O)c2ccc(Oc3nccnc3N3CCC(C)CC3)cc2)cc1 67334460 OQBXVTAQBOYKCK-UHFFFAOYSA-N 448.592 5.157 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(c2ccc(F)cc2)CC1 71804371 HHFJYKNYKGVWKK-UHFFFAOYSA-N 427.479 5.110 0 40 IKAB Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(C(=O)c3ccc4nc(C)sc4c3)C2)n1 72374988 GIALTWDGSHXDEX-IBGZPJMESA-N 443.576 5.467 0 40 IKAB CC(C)c1cc(Br)c2oc(-c3ccc(Br)cc3Cl)nc2c1 73638120 ATXZSGQRHKHQPO-UHFFFAOYSA-N 429.539 6.797 0 40 IKAB Cc1c(C)c2c(c(C)c1O)[C@H](C)[C@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 101314631 PMIMOLIQGNWOJE-FXYHOICYSA-N 430.717 9.011 0 40 IKAB in-vitro CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(OC)c(OC)c1 102677576 FSDMLDABDRJCRH-RUZDIDTESA-N 434.536 5.906 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 222605864 MCODFFANQSAFPS-ARBPTSGCSA-N 438.021 6.476 0 40 IKAB CC[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)CCCC2 223019428 HQPFIWZAGUNCAC-LJAQVGFWSA-N 438.615 6.005 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)c1 223958289 HIIYIPVTXOJTQE-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1-c1nccs1 224156322 SZTYNNRZYHVVES-SFTDATJTSA-N 431.590 5.123 0 40 IKAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1)c1ccccc1 224273966 ZYMHTXCYVUCVCI-QFIPXVFZSA-N 442.968 5.046 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 224307514 YTMIJYYMVVHJQA-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 224330117 HIVHRWPOIPNADP-UHFFFAOYSA-N 442.603 5.746 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225131567 GIWWWGRXDBPHTL-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB COCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1Cl 225530616 KBGZPBLXUFIMLR-UHFFFAOYSA-N 442.770 6.123 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)ccc1Cl 225683770 FIIMFLCANLFAHE-GOSISDBHSA-N 448.972 5.114 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(C=C(c3ccccc3)c3ccccc3)nn12 227143718 SJLIZNXZFBFGJG-UHFFFAOYSA-N 434.528 5.398 0 40 IKAB Cc1ccc(CN(C(=O)COc2c(Cl)cccc2C(=O)O)[C@H](C)c2ccccc2)cc1 257330911 XQOCUAGLYKBEEM-GOSISDBHSA-N 437.923 5.515 0 40 IKAB COc1ccc(OC)c(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)c1 408635488 CBQJTFDKWVWLNY-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)cc1 408667632 BUTNJFDMQWVHMY-UHFFFAOYSA-N 439.298 5.609 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(Cl)c2)cc1 408697008 DOCUEEGOHDQVJX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c(C)c1 409097213 LTXJQAGUCWUDKL-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccccc1F 409196205 UNBMQGOZIKEJOR-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409365382 ZXVRYVSELMFBLL-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)c1cn(CC(C)C)c3cccc(c13)N2 524731164 MFMWXCCZAQNBAA-QFIPXVFZSA-N 433.939 5.151 0 40 IKAB biogenic CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3cccc(C)c3)cc2c1 884443 UCCFLLMSPGJOSU-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2Cl)c(OCC)cc1NC(=O)c1ccco1 1223630 GAGJBMRELAHMBT-UHFFFAOYSA-N 428.872 5.235 0 40 IKAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)c1 1324312 JXGFJLDBCZIEDF-UHFFFAOYSA-N 447.579 5.469 0 40 IKAB CCCCCCOC(=O)CN1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O 2062908 PVOQWTKWCABFPW-UHFFFAOYSA-N 427.111 5.020 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 2183817 WDSQQEISQQKQJS-XKZIYDEJSA-N 447.512 5.562 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2246491 ACSNALGVCSBTNO-LEWJYISDSA-N 436.899 5.345 0 40 IKAB CCCCCc1nc2sc3c(c2c(=O)n1NC(=O)c1ccccc1Cl)C[C@@H](C)CC3 2335526 XTBBLVDLXIHAEB-AWEZNQCLSA-N 444.000 5.353 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2F)s1 2346235 LAHHMFHRVNTQOV-UHFFFAOYSA-N 429.329 5.920 0 40 IKAB Nc1ncc(-c2ccccc2)c(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)n1 2347139 OGXOKMDVQHGPKK-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1OC 2402520 DSDAHTQBZHFOFG-UHFFFAOYSA-N 435.867 5.327 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Br)cc3)nc3c(c2=O)SCC3)cc1 2719804 VAALMYNAURUBJN-UHFFFAOYSA-N 445.407 5.244 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3c(c2=O)SCC3)cc1 2719936 KRHSEMQXGSMONR-UHFFFAOYSA-N 430.982 5.225 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1Cl 2739571 PDYZICCHWFGBJS-HNNXBMFYSA-N 442.755 5.394 0 40 IKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Cl)c(Cl)c1 2889723 GKGCEKFPLFYVAH-UHFFFAOYSA-N 434.344 6.378 0 40 IKAB Cc1ccc(CNC(=O)CSc2nc(Nc3ccc(F)cc3)c3ccccc3n2)cc1 2948864 JEMLYKDFYWUOGL-UHFFFAOYSA-N 432.524 5.229 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc(Nc2ccccc2)c1-c1nc2ccccc2s1 3211871 QIQITUHGRQZJOU-UHFFFAOYSA-N 427.554 6.582 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)c(Cl)c2)cc(C(C)(C)C)c1 3235574 YEWKTQWISWWCNX-UHFFFAOYSA-N 436.379 6.384 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccccc2)c1C 3267854 JNARBTUXKFYEPF-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1cccnc1Nc1cccc(C(F)(F)F)c1 3321394 PWPMWNROSITRAB-UHFFFAOYSA-N 439.393 5.365 0 40 IKAB CCOc1ccccc1Nc1nnc(SCC(=O)c2ccc(OC(F)F)cc2)s1 3367841 ONZBGFGWEWAXDY-UHFFFAOYSA-N 437.493 5.257 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(C)cc2)CC1=O 4385060 GCENONUOEWPTQS-NRFANRHFSA-N 425.532 5.312 0 40 IKAB O=C(Cc1cccs1)N(Cc1ccco1)C1(C(=O)NC2CCCCC2)CCCCC1 4571602 OVVOYVATOVUZNI-UHFFFAOYSA-N 428.598 5.064 0 40 IKAB Cc1cc(C)cc(OC[C@@H]2[C@@H](COC(=O)c3cccc(Cl)c3)c3ccccc3N2C)c1 4773621 GFOMBTVDBJDWDJ-UKILVPOCSA-N 435.951 5.795 0 40 IKAB CC/C(=C(/CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@@H]2C=CCCC2)cc1 4775293 TTXGLJCLKHXJLQ-HIVOKIACSA-N 428.616 8.392 0 40 IKAB Cc1cccc(C)c1OCCOc1c(Cl)cc(Cl)cc1/C=C1/SC(=N)NC1=O 6886875 GLKJIXFUUCUHTK-CXUHLZMHSA-N 437.348 5.207 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C 8479562 XVUCDWDLMKVKNY-HSZRJFAPSA-N 428.576 5.005 0 40 IKAB Cc1c(CC(=O)NCCc2ccccc2F)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 8612881 MRQVRMXEIAXNHX-UHFFFAOYSA-N 449.522 5.494 0 40 IKAB CC(C)(C)c1ccc([C@@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 8722396 PPDQMUBHZQIOGB-HSZRJFAPSA-N 431.605 5.458 0 40 IKAB FC(F)(F)c1cnc(Sc2nc3nccc(/C=C\c4ccccc4)n3n2)c(Cl)c1 8733512 SZYMCPQYSFTRKI-SREVYHEPSA-N 433.846 5.513 0 40 IKAB O=C(CSc1ccc2ccccc2n1)Nc1ccc(-c2nc3ccccc3s2)cc1 8815568 AOUBKVZZDRUQHX-UHFFFAOYSA-N 427.554 6.242 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 8882917 OZKRPQIREUZRDR-IBGZPJMESA-N 436.562 5.322 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccccc1I 8951941 PXDBDGFFYGXFLR-UHFFFAOYSA-N 425.575 5.216 0 40 IKAB COc1ccc(Nc2ccccc2NC(=O)c2ccccc2SCC(=O)NC(C)C)cc1 9127187 IHJGYWRJHFQHHQ-UHFFFAOYSA-N 449.576 5.308 0 40 IKAB CCCCCNC(=O)c1cc(-c2ccc(OCC)cc2)nc2[nH]nc(-c3ccccc3)c12 9228154 IPXVGSFTYBPEGQ-UHFFFAOYSA-N 428.536 5.611 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9280965 JNBFYKPRYOJVCI-CVDCTZTESA-N 439.298 5.964 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9310903 PGRMMXIICDRNCJ-AHKZPQOWSA-N 428.532 6.116 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1ccc2ccccc2c1 9496354 PLWFUDKQCGDJNJ-UHFFFAOYSA-N 432.549 5.927 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC 9506736 GJBDSFMJOLYIQI-CZUORRHYSA-N 443.638 5.728 0 40 IKAB Cc1ccccc1-n1c(C)nnc1S[C@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 9509350 SPCPMLPYRGOGFB-UONOGXRCSA-N 449.407 5.549 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3nc(-c4ccc(Cl)cc4)c(C)s3)CC2=O)cc1 9581719 WVOKBPWDDYPWBN-MRXNPFEDSA-N 425.941 5.072 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2noc(-c3ccc(Cl)cc3)c2c1 11690021 NUVYKJPDRUZTPS-UHFFFAOYSA-N 445.931 6.448 0 40 IKAB O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N(Cc1ccccc1)Cc1ccccc1 12376375 OCXAQEGQAVMMIV-UHFFFAOYSA-N 446.594 6.088 0 40 IKAB c1ccc(Cn2c(COc3ccccc3)nnc2SCc2ccc3nsnc3c2)cc1 12376607 XCSCEDFMZPSHAQ-UHFFFAOYSA-N 445.573 5.202 0 40 IKAB S=C(Nc1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 12524166 AUADLSDKILZVSW-OAQYLSRUSA-N 436.378 5.997 0 40 IKAB CCOc1ccc2nc(S[C@H](C(=O)Nc3ccccc3OCC)c3ccccc3)[nH]c2c1 12546550 FEWHMLGCQGCHDC-QHCPKHFHSA-N 447.560 5.832 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1ccccc1C(=O)Nc1ccccc1 12776102 HQGLGFSTKWKDBP-UHFFFAOYSA-N 432.520 5.263 0 40 IKAB CCOc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 12807223 NHWDJFCARVFGLN-UHFFFAOYSA-N 427.504 5.383 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12917445 JMCPTWCDZFARNS-UHFFFAOYSA-N 430.426 5.239 0 40 IKAB COc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 13118008 KNSURFJKIIGUDS-LJQANCHMSA-N 435.574 5.335 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)cc1 13149126 CFLFIUIFAHESBC-UHFFFAOYSA-N 429.516 5.146 0 40 IKAB Cc1ccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)cc1 13511411 YMRWHGMMKSYHGO-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13899277 XNFRWRXQCCHLLO-GFCCVEGCSA-N 434.841 6.177 0 40 IKAB CCCCCCOc1ccccc1C(=O)Nc1ccc(OCCOc2ccccc2)cc1 14042432 HHPMCLAWJMTTTJ-UHFFFAOYSA-N 433.548 6.356 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 14152800 VHDDTBAXKQKZSX-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB Cc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 14269160 OSSSQDFOBYOUQJ-UHFFFAOYSA-N 443.572 5.731 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 14273110 JPZKVNQRHIDCPN-UHFFFAOYSA-N 447.716 5.963 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 16194533 LTHYJAHJHHUOIX-QPJJXVBHSA-N 425.743 5.908 0 40 IKAB FC(F)(F)c1cc(SCc2cn3cc(Cl)ccc3n2)nc2cc3c(cc12)OCO3 16448858 AQZOSYAELOEFQL-UHFFFAOYSA-N 437.830 5.576 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(C)c(Cl)c2)o1 17095217 BPTFGJKIJCBSHM-AWEZNQCLSA-N 426.969 6.549 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)C2CCN(C(=O)c3cccs3)CC2)cc1 18238986 RFGWLCSDLRNSJT-UHFFFAOYSA-N 436.533 5.040 0 40 IKAB Cc1nc(-c2nc(N[C@H](C)c3ccccc3)ncc2-c2ccccc2F)sc1CCO 19560952 UWMSWBWZQBKMHJ-OAHLLOKOSA-N 434.540 5.423 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)o2)cc1Cl 19645370 ZCELBPUREVRVTI-ACCUITESSA-N 446.890 6.406 0 40 IKAB CCOc1cc(CNC2CCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22074267 SJOWBTXVBNMZIP-UHFFFAOYSA-N 428.787 6.657 0 40 IKAB Cc1ccccc1CN1CCN(CCO[C@H](c2ccccc2)c2ccccc2Cl)CC1 22462882 VEVSKUJZSMGTMM-HHHXNRCGSA-N 435.011 5.572 0 40 IKAB biogenic,in-man Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3ccccc3c2=O)c1 27299382 QRHOIBVZJGUSNS-UHFFFAOYSA-N 443.572 5.350 0 40 IKAB CCOc1cc(-c2ccc(C)cc2)nc2ccc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 32986732 CNSHMAJGBRMADG-UHFFFAOYSA-N 440.499 5.632 0 40 IKAB COc1cc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC 35889813 FHCDSSAQYVTDRX-NIDLKEISSA-N 445.987 5.234 0 40 IKAB biogenic,in-vitro Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)CCOc1ccccc1Cl 48353540 XZHXMEIYCLVCOT-UHFFFAOYSA-N 446.378 5.283 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)CCc3ncc(-c4ccccc4)o3)cc2)n1 65586023 TXJFITVIRUEYKS-UHFFFAOYSA-N 430.533 5.471 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCCc5ccccc5)n4ccn3n2)cc1 67260662 DKSBHDHBOWOXPN-UHFFFAOYSA-N 443.576 5.558 0 40 IKAB Cc1ccc2oc(CN3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)c(C)c2c1 72398619 ZNZQAZSAOJYLLX-NLFFAJNJSA-N 433.596 5.560 0 40 IKAB Cc1cc(C(=O)N(CCn2cccn2)c2nc3c(C(F)(F)F)cccc3s2)c(C)o1 77177568 WRPVRNMTSGQGTA-UHFFFAOYSA-N 434.443 5.068 0 40 IKAB CCCCC1CCC(c2ccc(-c3ccc(-c4ccc(CCC)cc4)c(F)c3)cc2)CC1 90416725 JNNRFAYPLVJFJM-UHFFFAOYSA-N 428.635 9.576 0 40 IKAB CC1(C)c2ccccc2-c2c1c1c(c3c2C(C)(C)c2ccccc2-3)C(C)(C)c2ccccc2-1 95093253 IZSZGRWXUIXAQK-UHFFFAOYSA-N 426.603 8.606 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)cc1 101188995 HEYPMAXMGXLOFP-UHFFFAOYSA-N 446.576 5.149 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709193 SBXXZWYDZDXGMP-JIMJEQGWSA-N 434.495 5.199 0 40 IKAB C[C@H](N/C=C1\C(=O)N(c2ccccc2C(F)(F)F)C(=O)c2ccccc21)c1ccccc1 105896294 KPLQAZCROOQSMF-UKEODDKASA-N 436.433 5.584 0 40 IKAB CC(=O)O[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 118916306 AHQGBTJUQBJWCN-PHHGASLBSA-N 436.592 6.107 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118924523 CZSGREWSSMQULY-ZQQQCJPQSA-N 428.745 8.821 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219961516 HMXROPXPADWKGH-DEOSSOPVSA-N 440.631 5.892 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)c(O)c(Br)c1 221326194 YUGJZRAGZUUNPG-QPEQYQDCSA-N 427.117 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 222690169 GKSKSDGECLQISG-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 223116538 VBVZQEZPCHDWGP-VQTJNVASSA-N 440.603 5.388 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2O1 223190398 CTQMRJVHJMQMPM-LJQANCHMSA-N 438.420 6.425 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)c3cc(C(C)C)c(OC)cc3C)ccc2c1 223383210 QDRLUUCNZYYSMM-KRWDZBQOSA-N 427.566 5.328 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 223668504 RFWCJCDTYGSRSG-ZBJSNUHESA-N 433.979 6.373 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223903136 BJCGCNRZYHJYGK-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223957784 OZUPJPKUISGBLE-KRWDZBQOSA-N 449.422 5.603 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1C 224275193 CHRCFHZHCZPITJ-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225331335 ODJZFQNNNSQAGK-ROUUACIJSA-N 449.422 5.566 0 40 IKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCOCC2)cc1 225586045 LWGQIWDYCCTJFS-UHFFFAOYSA-N 445.559 5.578 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764926 OZENZIWPWAXMDM-LJQANCHMSA-N 435.995 7.511 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)C2CCCCC2)CC1 257201871 AJKROAVAIGEUQA-UHFFFAOYSA-N 447.623 5.006 0 40 IKAB O=C(Nc1ccccc1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408697581 IEKAMLDXOAWJGY-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB Cc1cc(C)c2nc3s/c(=C\c4ccc(-c5cc(Cl)cc(Cl)c5)o4)c(=O)n3c2c1 408977884 YRVSVAYSSHPXQT-GRSHGNNSSA-N 441.339 5.641 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@H]1c1cccc(Cl)c1Cl 408987249 FIIDYBZPGYGBKK-FQEVSTJZSA-N 449.403 6.073 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1CC1CCCCC1 409137387 WXEDCYQKPYTIRI-UNOMPAQXSA-N 446.366 6.326 0 40 IKAB CC(C)CNC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 409175031 YFZZVODELGUNLS-UHFFFAOYSA-N 425.381 5.251 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1ccc(F)cc1 409200146 QPQIZHPHXUSUTP-UHFFFAOYSA-N 426.513 5.512 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 883193 VJMOLJIRVDJDII-UHFFFAOYSA-N 437.952 5.482 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4)coc3c2)cc1OC 940092 GIOGPMSYSIARHC-UHFFFAOYSA-N 446.455 5.439 0 40 IKAB biogenic Cc1ccccc1C(=O)N(Cc1ccccc1Cl)Cc1cc2cccc(C)c2[nH]c1=O 1346772 ZZNBECFIGRFOCJ-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB O=C(CSc1ncc(-c2ncc(C(F)(F)F)cc2Cl)cn1)c1ccc(Cl)cc1 1396887 FBTYCDGQJVAJDV-UHFFFAOYSA-N 444.265 5.839 0 40 IKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccc(Cl)cc2)cc1 1775419 RUJHPKVRCPCNTC-UHFFFAOYSA-N 446.934 6.696 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3cccc(C)c3n2)cc1 2078917 KCVXWYOQNFUKGI-UHFFFAOYSA-N 439.511 5.875 0 40 IKAB COc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)c2ccc(C)cc2)cc1 2235630 UVWDVTWMGHGGDF-UHFFFAOYSA-N 445.544 5.138 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccccc3F)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2332058 CAHBODWUGJBNQS-UHFFFAOYSA-N 441.506 5.525 0 40 IKAB COc1ccccc1-c1c(NC(=O)c2ccc(C(C)(C)C)cc2)n(C)c2ccccc2c1=O 2340724 NGWLLZLECKIQSE-UHFFFAOYSA-N 440.543 5.764 0 40 IKAB CCCCSc1nnc2c3c4c(sc3nc(SCCC)n12)CO[C@](C)(CC)C4 2356215 OLDCQPMWXOVQCY-HXUWFJFHSA-N 436.672 5.975 0 40 IKAB CSc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2413305 RQLWZRVFAZRRRY-QFIPXVFZSA-N 431.513 5.470 0 40 IKAB COc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCO5)cc1 2688264 VDXCAYXTBBFNPX-UHFFFAOYSA-N 443.890 5.642 0 40 IKAB COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)cc1 2707295 XACJGYUUYIEBNA-DHIUTWEWSA-N 428.517 5.217 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(Br)cc1Br 2736226 PBWMNPOOQLPWQF-UHFFFAOYSA-N 433.527 5.191 0 40 IKAB CCc1cc2c(=O)c(-c3cc4c(cc3C)OCCO4)c(C(F)(F)F)oc2cc1OC(C)=O 3185592 YUNHHLASBPMPMN-UHFFFAOYSA-N 448.393 5.046 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 3336633 RKBQGZCRVBVQMG-UHFFFAOYSA-N 443.326 6.175 0 40 IKAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 4082373 QAFFJZQOECVHSB-UHFFFAOYSA-N 447.947 5.713 0 40 IKAB CCCCCC(=O)OCCCC[C@@H](COC(=O)CCCCC)OC(=O)CCCCC 5523793 UPXIBCOKKJURHS-NRFANRHFSA-N 428.610 5.896 0 40 IKAB CCOc1ccc2cc3c(N)c(C(=O)N(c4ccccc4)c4ccccc4)sc3nc2c1 6134310 JGKITKIGWNQZIF-UHFFFAOYSA-N 439.540 6.409 0 40 IKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c(C)c1 6161556 QNMDPJRTTZKYJW-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8756155 IDESSRKJOJDTRY-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 8810205 IBKIMYSLGIQPJG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904100 KQZUSTCKSFMZJP-BMRADRMJSA-N 449.934 6.741 0 40 IKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(CSc4ccccc4)cc3)CC2)c1 9063025 KKQHPWIWKHYWKD-UHFFFAOYSA-N 430.617 6.138 0 40 IKAB CCCCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(F)c3)c3ccccn23)cc1 9408807 FGOQDZLIZMBCPM-UHFFFAOYSA-N 445.494 5.323 0 40 IKAB Cc1ccc(C(=O)c2sc3nc(C(F)(F)F)c(C(=O)c4cccs4)cc3c2N)cc1 9420139 XAAHYPXQUSJZKK-UHFFFAOYSA-N 446.475 5.729 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1 9430727 VAFGXAMJFGLILI-UHFFFAOYSA-N 444.867 5.607 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc4c(Cl)cc(C(F)(F)F)cn34)n2)cc1 9464097 TUFKZCRZIRVAMC-UHFFFAOYSA-N 439.850 5.306 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)cc1 9667293 XHHLEXNIVOBZGE-MUUNZHRXSA-N 432.523 6.492 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)c3ccc(Br)o3)C3CCCCC3)n2)cc1 9698548 NRQHMLPYXHFUHR-UHFFFAOYSA-N 444.329 5.376 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)n1-c1ccccc1 9711879 QCPOGPIKQZMIFU-QFIPXVFZSA-N 444.560 5.122 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 9849726 NJYDNBFIOCSELF-UHFFFAOYSA-N 436.968 5.252 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccccc2)c(C)c1 10326284 NDSRITNWEKMFGU-IBGZPJMESA-N 434.561 5.004 0 40 IKAB CC1CCN(c2ccc(NC(=O)Cn3c(-c4cscn4)nc4ccccc43)cc2)CC1 12540933 VBKBJYHJCVRYQF-UHFFFAOYSA-N 431.565 5.035 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Oc1ccc(-c2nnco2)cc1)c1ccccc1 12770557 CZIRFIULJVMYDP-FQEVSTJZSA-N 440.286 5.802 0 40 IKAB CCOC(=O)c1cc(NC(=S)Nc2ccc(Cl)c(Cl)c2)cc(C(=O)OCC)c1 13128911 VGOBAEROOHAQSU-UHFFFAOYSA-N 441.336 5.156 0 40 IKAB O=C(OCc1cccc(COC(=O)c2ccc3ccccc3n2)c1)c1ccc2ccccc2n1 13129544 LUQDQMIGVYWVRK-UHFFFAOYSA-N 448.478 5.497 0 40 IKAB CC[C@H](C(=O)Nc1ccccc1Sc1ccccc1)N(c1ccccc1)S(C)(=O)=O 13711569 HRYAPGULXUORLM-OAQYLSRUSA-N 440.590 5.021 0 40 IKAB Cc1cc(NC(=O)[C@H](C)Oc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 14129235 CPNIXWYMZFZGTM-KRWDZBQOSA-N 429.476 5.103 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 14269883 SBVXDZHCJBOUSO-UHFFFAOYSA-N 443.572 6.307 0 40 IKAB CN1CCN(c2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2Cl)CC1 14273660 NQHVJBFXCWCRET-UHFFFAOYSA-N 442.003 5.157 0 40 IKAB CCOc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc(Cl)c1O 15016217 WFJJQGIPNNPAOO-VGOFRKELSA-N 426.925 5.748 0 40 IKAB CC[C@H](C)NCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16610306 CYZIRFUIKFZYNN-LBPRGKRZSA-N 447.200 6.232 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 16610395 YDKDECUKQQHJFN-GFCCVEGCSA-N 433.986 5.562 0 40 IKAB COc1ccc(-c2cc3c(SCC(=O)Nc4c(C)cc(C)cc4C)nccn3n2)cc1 16994025 BVMGHVVEXONPFA-UHFFFAOYSA-N 432.549 5.061 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1cccc(Br)c1 17094695 OJCFTNBYIUVOKI-UHFFFAOYSA-N 426.093 6.373 0 40 IKAB CO[C@H]1CCC[C@@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)C1 19123802 MCWBDTNTYKKDAH-RTWAWAEBSA-N 448.567 5.052 0 40 IKAB Cc1ccc(OCCCC(=O)N2CCCC[C@@H]2c2n[nH]cc2-c2ccncc2C)c(C)c1 19132804 CFXHGPLFVHJEEG-HSZRJFAPSA-N 432.568 5.310 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373083 FAPXDDXQNXURCY-VXKWHMMOSA-N 439.563 5.345 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)c2)c1 19691998 BODQDRGWZYSEME-AREMUKBSSA-N 438.575 5.462 0 40 IKAB O=[N+]([O-])c1ccc(-c2ccc(/C=N/c3ccc(-c4nc5cc(Cl)ccc5o4)cc3)o2)cc1 21964225 SRBILLWADHUXQT-VULFUBBASA-N 443.846 7.067 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)N3CCC(c4nc5ccccc5o4)CC3)cc2)cs1 23956429 AGYWYGNYULLHMV-UHFFFAOYSA-N 446.576 5.391 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccccc1-c1ncc(-c2ccccc2F)o1 29516350 YAYGJJMSLRWQHH-UHFFFAOYSA-N 443.478 5.237 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2cccc(OCc3ccc(F)cc3)c2)cc1 30392216 GPGYICRIJREMIR-UHFFFAOYSA-N 446.478 5.841 0 40 IKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1cc2ccccc2o1 32111959 CLNGHEGTLOKECS-UHFFFAOYSA-N 434.879 5.664 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)c(Cl)c4)CC3)c2c1C 32726905 FXIVFYHQHAOCPE-UHFFFAOYSA-N 435.380 5.470 0 40 IKAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1cccc(F)c1 32957696 CZDQTEWGCFEQIZ-QFIPXVFZSA-N 444.510 5.085 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc4c(c3)OCO4)cc2)C(=O)N1Cc1ccccc1 34870669 QXKTZZKGTQRGCH-YDZHTSKRSA-N 445.496 5.231 0 40 IKAB CCOc1ccc(C(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)cc1 35671746 MNMKTTHGUFMTHZ-UHFFFAOYSA-N 443.528 5.713 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OCC 39760125 MYFBYCIZSKMDMU-GOSISDBHSA-N 445.003 5.227 0 40 IKAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)Nc1ccc(OCc2ccccc2)cc1 51364466 KSMDUMWOYBFDIA-DEOSSOPVSA-N 436.511 5.424 0 40 IKAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)cc(C)c2)c1 57488313 BEHWJMWFVSDMQK-UHFFFAOYSA-N 449.601 5.128 0 40 IKAB CCCNC(=O)c1ccc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)cc1Cl 60017059 VQCMIFGIIHVMAU-QFIPXVFZSA-N 438.980 5.952 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cs1 72350060 RRJZSSSNJTWKSU-SFHVURJKSA-N 425.985 5.039 0 40 IKAB Cc1cccnc1Nc1ccc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)nc1 72353143 XCUFBAICIAQFRS-XMMPIXPASA-N 425.536 5.306 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 72390690 DWYMWWLWWSCRBL-HSZRJFAPSA-N 444.579 5.241 0 40 IKAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 100252076 UTSDCHSVMLISRD-SZCFDOLESA-N 444.604 5.892 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1ccc(C)cc1 100425943 VEDLRAWCYYZOTG-RNWIMVQKSA-N 436.555 6.873 0 40 IKAB Clc1ccc(NCc2cc(Cl)c(OCc3ccccc3)c(Cl)c2)cc1Cl 106982880 JXYDJUFWEMBVFH-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccccc2Cl)n1C 108108173 NDAKJRHXNMEFNL-SFHVURJKSA-N 449.407 5.541 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)S(C)(=O)=O)c1 113965479 ZQVCSPWRDDZVDA-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 223085305 GOFWYMMOSIIXQE-JWQCQUIFSA-N 445.636 5.248 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 223191555 MGOYVNBBJGVVKY-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1NC(=O)C(C)C 223244790 ATZCILXHMGTGEQ-UHFFFAOYSA-N 433.382 5.111 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1Cl 223322243 IUUHJCMGVQRGTI-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)CSCc2c(Cl)cccc2Cl)cc1 223444047 XPZLARSWZHDAFM-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223808117 GTXPPZALEMSJSB-NRFANRHFSA-N 438.637 5.262 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 223916261 OPYFABGIFHQMGV-MRXNPFEDSA-N 441.000 5.860 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2c(C)cccc2C)cc1)S(=O)(=O)c1ccc(C)cc1 224454079 QKQXJMDFSKTKME-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1O 224611088 BBDBZTLCAKSBCB-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)c1cc(Cl)ccc1OCc1ccccc1 224841744 IQYLBNFCPSGOLT-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(OC)c3)o2)c1 224901390 UGJSPCMIIFOBIM-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2cccc(I)c2)c2ccccc2O1 224969714 KCCGYYQIMZUOER-KRWDZBQOSA-N 435.305 5.104 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225007737 ROATZHALIGLKBH-RTBURBONSA-N 447.044 5.544 0 40 IKAB Cc1ccc(SCCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225587898 BCCXAQFXIOLFCY-UHFFFAOYSA-N 429.836 5.880 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCC(C)CC2)cc1 225615783 OHSRGEMHUGIOIH-UHFFFAOYSA-N 432.649 5.603 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225670897 IGYACDGNAJAANE-VGOFRKELSA-N 449.422 5.648 0 40 IKAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225739890 WXSRTHNREMHHRU-CYBMUJFWSA-N 427.923 5.487 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CC[C@@H](c4cc(Nc5nc(C)c(C)s5)cc(C)n4)C3)c2c1 257209754 BRSWJWHSCHTBDB-QGZVFWFLSA-N 446.580 5.021 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2)CC1 257343160 ZRSQDHMTYJAADT-UHFFFAOYSA-N 427.592 5.098 0 40 IKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Br)cc2C)cc1 408605920 HIIHXBVLECAAPR-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@H]2C1 408685164 QFWJQNJXIYSRGS-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2C)nc1-c1ccc(Cl)cc1 408696800 BYXBHHMSWHAADL-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408926950 RUNUUZDEFAMLFP-UHFFFAOYSA-N 446.981 5.262 0 40 IKAB CC[C@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)cc1OC 409010109 DJGJVWYWKOYTCY-ATARQRRYSA-N 442.375 5.470 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)Nc1ccc(Cl)cc1 409159469 UILDNOHFNWMTAF-VIZOYTHASA-N 441.723 5.322 0 40 IKAB Clc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1 409181616 DUAUNUFZJPCBFB-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2S(=O)(=O)c1ccc(Br)cc1 855402 YICLUFWUEKILGD-UHFFFAOYSA-N 436.371 5.239 0 40 IKAB COc1ccc(Cl)cc1N1C(=O)C(Cl)=C(Nc2ccc(Cl)c(Cl)c2)C1=O 939172 NZSDUOWCDCIVBG-UHFFFAOYSA-N 432.090 5.091 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4cc(C)cc(C)c4)coc3c2)cc1 957164 MFQZIISQWIBEDY-UHFFFAOYSA-N 430.456 5.568 0 40 IKAB CCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 982701 WTZDKRPCDHKJQH-SANMLTNESA-N 430.573 5.318 0 40 IKAB aggregator COC(=O)c1ccc(N2CCCCC2)c(NC(=O)C(c2ccccc2)c2ccccc2)c1 1431513 SOKVMTXXUZVHRT-UHFFFAOYSA-N 428.532 5.234 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1Cl 1838324 IZOUESDGIYTLSV-NSCUHMNNSA-N 425.526 6.614 0 40 IKAB COC(=O)c1ccc(OC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cc(C)cc23)cc1 2079741 WZUYRSYNXBMNTI-UHFFFAOYSA-N 441.483 5.533 0 40 IKAB Cc1cc(C)cc(-c2nnc3sc([C@@H](C)c4ccc(-c5ccccc5)c(F)c4)nn23)c1 2182986 YGJHMAIMHJMMPB-KRWDZBQOSA-N 428.536 6.428 0 40 IKAB Clc1ccc(-c2nnc3sc(-c4ccc(Br)cc4)nn23)c(Cl)c1 2427834 WUJUZNQSTFOUAH-UHFFFAOYSA-N 426.126 5.589 0 40 IKAB Cc1ccc([C@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 2441839 KIAPRSQZCXOUHB-HSZRJFAPSA-N 433.511 5.617 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccc(C)cc1 2451072 VEWFKDDEZDKEHO-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CSc1nc(NC[C@H]2CCCO2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 2452296 SMAYSQUOVNTQRD-GFCCVEGCSA-N 438.578 5.301 0 40 IKAB Cc1cc(SCC(=O)OCC(=O)c2cc3ccccc3o2)c(C)cc1Br 3226416 MHIYAQRSQVOEOW-UHFFFAOYSA-N 433.323 5.330 0 40 IKAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccccc1Nc1cccc(C(F)(F)F)c1 3365182 HPNDTXPUISWWAA-UHFFFAOYSA-N 438.405 5.970 0 40 IKAB COc1ccccc1O[C@H](C)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655459 HMLJEKZEZBRMKC-QGZVFWFLSA-N 429.472 5.387 0 40 IKAB CC(C)=CCCC1=CCC2(COC([C@@H]3CC=C(CCC=C(C)C)C[C@H]3C)OC2)[C@@H](C)C1 4025314 MFGNVTISQZYJEE-BYANKFCWSA-N 426.685 8.167 0 40 IKAB C[C@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5276270 XCDQFROEGGNAER-MTEZWSFZSA-N 428.745 8.249 0 40 IKAB c1ccc(-c2[nH]nc(-c3n[nH]c(-c4ccccc4)c3-c3ccccc3)c2-c2ccccc2)cc1 5479262 LSUKZIRRGHNFGW-UHFFFAOYSA-N 438.534 7.468 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]([C@H]3CC[C@@H]1C3)[C@H](c1ccccc1)N2 5949601 VCWRTYSELLQTOI-GRFIVMBJSA-N 438.571 6.634 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)c1 6162614 PGNBFNXXYDEPLM-UHFFFAOYSA-N 432.428 5.130 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)cc3n2)cc1 8590950 NGLLYLXVRKDLTK-UHFFFAOYSA-N 441.318 5.551 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(-c4ccccc4)cc3)o2)cc1 8633968 PJGLYMJJKIYJDY-KRWDZBQOSA-N 445.544 5.382 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccccc4)cs3)[C@](O)(C(F)(F)C(F)F)C2)cc1 8750704 CRBLQGYZIIJMAW-HXUWFJFHSA-N 435.446 5.322 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 8832355 HWKCXOZKPOLLLZ-UHFFFAOYSA-N 443.330 6.042 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)C1CCCC1 9019439 YXXGIIIVUXNKIL-FIRIVFDPSA-N 445.606 7.533 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 9054620 BUSSWEWMOGKEEG-LDADJPATSA-N 440.883 5.875 0 40 IKAB CCOc1cc(-c2nc(-c3cc4cc(C)ccc4nc3OC)no2)cc(OCC)c1OCC 9291983 AIZCTEUAQOFVDF-UHFFFAOYSA-N 449.507 5.465 0 40 IKAB COc1cccc(C(=O)Nc2c3c(nn2-c2ccc(Oc4ccccc4)cc2)CSC3)c1 9404453 DWVKLDBFLAKLFP-UHFFFAOYSA-N 443.528 5.672 0 40 IKAB c1ccc(-c2nc(N3N=C(c4cccs4)C[C@H]3c3cccs3)nc3ccccc23)cc1 9461237 HMUHETHOCWJLNG-NRFANRHFSA-N 438.581 6.776 0 40 IKAB COc1ccccc1-c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)cs1 9501408 UEWVMTBCGIIKMQ-UHFFFAOYSA-N 434.590 5.628 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)c2ccc(OCc3csc(C)n3)cc2)c(OC)c1 9585926 FNXAFJIPUCIPHC-JOCHJYFZSA-N 438.549 5.025 0 40 IKAB Cc1cc2cc(N(C(=O)c3ccncc3)S(=O)(=O)c3cc(C)c(C)cc3C)ccc2o1 9593584 ZQIKXWOHAPSHLR-UHFFFAOYSA-N 434.517 5.097 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2c1cc(OC(=O)c1ccco1)c1ccccc12 9601016 CAOIITCCFCVQQZ-UHFFFAOYSA-N 439.467 6.081 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(=O)N[C@@H](C)c1ccc(F)cc1 9724052 TWRNYSADMOKXEC-HOTGVXAUSA-N 442.560 5.540 0 40 IKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccccc4N4CCCC4=O)sc32)cc1 9730279 FGUNAOYKHJPHEJ-UHFFFAOYSA-N 444.560 5.142 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@H](C)c2cccc3ccccc23)cc1Cl 10037342 MWZWWGHQGDXIQW-MRXNPFEDSA-N 436.968 5.352 0 40 IKAB CCCn1c(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)cc2C)nc2ccccc21 12546469 VCCSKIGSHPGHCQ-UHFFFAOYSA-N 449.558 6.168 0 40 IKAB COc1ccc(-c2cn3c([n+]2-c2ccc(Br)cc2)CCc2ccccc2-3)cc1 12558261 VVEMXSVBBZTWIJ-UHFFFAOYSA-N 432.341 5.291 0 40 IKAB Cc1ccc(C)c(COc2cc(O)c3c(c2)/C=C/CCCC(=O)CCC[C@H](C)OC3=O)c1 12863524 BQNOZWXAYRTLFO-MRSBXDGLSA-N 436.548 6.070 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1CC(F)(F)F 13119594 RDSOIYLXFSRATJ-UHFFFAOYSA-N 448.514 5.159 0 40 IKAB Cc1cc(Oc2ccc(Cl)c(C)c2)nc(SCc2c(Cl)cccc2Cl)n1 13403056 OAXQTKBTTFKDHL-UHFFFAOYSA-N 425.768 7.138 0 40 IKAB Cc1cccc(CCN(C(=O)c2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)c1 13496052 IFAXKEYHCAFCRV-RUZDIDTESA-N 446.616 5.542 0 40 IKAB Cc1ccc(CN(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498350 BQZBTXAWWKHNKX-SANMLTNESA-N 446.616 5.428 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N[C@]23Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 13685321 SDFVAJIAKRPUBW-ZTRRBLLISA-N 439.540 5.690 0 40 IKAB O=C(CSc1n[nH]c(/C=C/c2ccc(F)cc2)n1)N(c1ccccc1)C1CCCCC1 14897910 XZWVTSUINJSIJP-DTQAZKPQSA-N 436.556 5.572 0 40 IKAB CN(C(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)c1c[nH]c2ccccc12 15835522 JGTVWWSXKVTPOE-HXUWFJFHSA-N 425.351 5.854 0 40 IKAB CCCCCC[C@H](C/C=C/CCCCCCCC(=O)OC[C@@H](C)OC(C)=O)OC(C)=O 16891758 GXLLXKLCZRBGPM-QMCPKEQTSA-N 440.621 6.060 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(C)c3C)c2c1 17135684 BHNVOFMHCLOMEU-UHFFFAOYSA-N 447.604 6.136 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 18193020 UCDDNYAFCADCHE-UHFFFAOYSA-N 448.309 7.049 0 40 IKAB Cc1cc(Cc2cccc(F)c2)cc(C2CCN(C(=O)c3c(C(C)C)noc3C)CC2)n1 19691889 SLGBAWRSMZVXKR-UHFFFAOYSA-N 435.543 5.560 0 40 IKAB O=c1c(CN2CCN(c3ccccc3)CC2)c(-c2ccccc2)[nH]c2ccc(Cl)cc12 19793410 JVNJYEVSGJXYKT-UHFFFAOYSA-N 429.951 5.171 0 40 IKAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)cc1Cl 20110229 OIZBEBNOKNPORF-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1 20456720 AJWBXNVTPBKFMH-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)CN(CCc1ccc(Cl)cc1Cl)CO2 20502993 RMZSTKQQYDXHFA-UHFFFAOYSA-N 430.331 5.292 0 40 IKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)Nc1cccc(Cl)c1 20530544 HTEUKCQJZXKISZ-UHFFFAOYSA-N 436.924 6.326 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(OCCC(C)C)c2)n2c(nc3ccccc32)N1 20672484 ALNQRRCAQNIWPW-XMMPIXPASA-N 433.552 5.702 0 40 IKAB COc1cc(NC(=O)c2ccc(Cl)cc2)c(-c2nc(-c3ccccc3)no2)cc1OC 20727301 WSRBXLLBHOFMHU-UHFFFAOYSA-N 435.867 5.327 0 40 IKAB CCc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868202 ADIGHJZRIAVIRK-VWLOTQADSA-N 427.504 5.300 0 40 IKAB CC(C)CC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)C)cc3)cc2Cl)CC1 21124106 WASBZXCYYPMLJQ-UHFFFAOYSA-N 442.003 5.410 0 40 IKAB CCOC(=O)CC1CCN(C(=O)CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 24745565 RNCYUQCEPNSOJD-UHFFFAOYSA-N 431.617 5.112 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1cc2ccccc2nc1Sc1ccccc1 27572863 SYRZMACZHLPGRI-PXLXIMEGSA-N 442.927 6.384 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)Nc2cccc(C)c2)oc2ccccc12 27664486 OUCZHNDLEJRVEP-KRWDZBQOSA-N 444.487 5.408 0 40 IKAB CC(C)c1ccc([C@H](CNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)N2CCOCC2)cc1 28290442 BXABOFJIPGNWEB-UFCYUWOPSA-N 434.624 5.310 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Cl)cc1Cl 32127609 JKFMFTXGXMYNJI-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC(C)(NC(=O)CCc1ncc(-c2ccccc2F)o1)c1ccc(Br)cc1 32399326 AHLWMNQMQCMTLQ-UHFFFAOYSA-N 431.305 5.227 0 40 IKAB O=C(Nc1ccccc1SCc1ccsc1)C1CCN(c2ccc(Cl)nn2)CC1 32765318 RYKWGCZADNLLIQ-UHFFFAOYSA-N 445.013 5.339 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1C(=O)NC1CCCCC1 33562458 YAOARPKUCWSYKM-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB CC(C)c1ccc2[nH]c3nc(SCC(=O)Nc4ccccc4C(F)(F)F)nnc3c2c1 35289673 IVYBFDYHJBBFNZ-UHFFFAOYSA-N 445.470 5.379 0 40 IKAB CCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br 37188469 YFXPLRANAJPQJP-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB CC(=O)c1cc2c(N)c(C(=O)Nc3ccccc3Sc3ccccc3)sc2nc1C 40154907 NNMWWEABMLDLQS-UHFFFAOYSA-N 433.558 5.793 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN[C@H](c1ccccc1)c1ccc(OC(F)F)cc1 57323083 GVXIIMSHTHNGMK-JOCHJYFZSA-N 446.881 5.268 0 40 IKAB CCCN(C(=O)CCSc1ccc(Cl)cc1)C1CCN(C(=O)c2ccccc2)CC1 58356899 PGEQPQSKJGFZLU-UHFFFAOYSA-N 445.028 5.366 0 40 IKAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1ccc(Cl)cc1Cl)CCCN4CCC3 67341981 DKMJTPHAZMTYTF-UHFFFAOYSA-N 428.319 5.170 0 40 IKAB O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1Cc1ccc2c(c1)OCO2 71327609 PQXHWZYZNDITNN-UHFFFAOYSA-N 442.949 5.181 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1C(=O)c1ccccc1)C1CCCCC1 72215749 YBDRCFKJLSEDSW-QHCPKHFHSA-N 449.595 6.133 0 40 IKAB CC(C)CC(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccc(Cl)cc3)CC2)o1 72344943 BDUIUKBSWOVANS-OAQYLSRUSA-N 445.007 5.202 0 40 IKAB O=[S@](CCSc1nnc2c(Cl)cc(Cl)cn12)c1cc(Cl)ccc1Cl 84343900 FECHMJWNKPIYAI-DEOSSOPVSA-N 441.192 5.243 0 40 IKAB CC(=O)Oc1ccc2ccccc2c1CN(C)Cc1cc(Cl)cc(C)c1OC(C)=O 90760123 IQIHMIJDTITJQK-UHFFFAOYSA-N 425.912 5.284 0 40 IKAB O=C(c1cc2c(s1)CCCCC2)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101825241 RXEQAVVTHXARCF-OALUTQOASA-N 431.548 5.036 0 40 IKAB BrC1(Br)[C@H]2C[C@@]34CCCCCCCCCCCC[C@@]21C[C@@H]3C4 104289772 QCLYBYFXWFMUIO-CADBVGFASA-N 432.284 7.584 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 109034194 MSEASCLBBCAFGY-CQSZACIVSA-N 449.407 5.697 0 40 IKAB O=C(CSC(=S)N1CCC(Cc2ccccc2)CC1)Nc1cccc2ncccc12 215672468 XNQCSFJOGCDFHD-UHFFFAOYSA-N 435.618 5.146 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 222926730 NOTCFLLBEOCHEX-JOCHJYFZSA-N 448.529 5.509 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCCC2)c1C 223049623 KUECOBNSNQJEFV-GOTSBHOMSA-N 426.630 5.014 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H](C)c2cc(C(C)C)c(OC)cc2C)c(Br)c1 223328191 YDMFUGIIFWOPRP-INIZCTEOSA-N 448.401 5.708 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCSc1ccccc1 223879998 PSDOHFUPCKWKIZ-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1C 224280082 QICKLJMLQKTBMP-DQEYMECFSA-N 425.557 6.136 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc2ccccc2c1 224319146 QHOLZJGRMPVJRS-UHFFFAOYSA-N 440.499 5.638 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 224423383 FFIHOTQMIPMHIV-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1OC 224576734 AXICSOCESRVKFQ-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCc3ccccc3)c2)cc1 224749916 IDWNBZBZBMOAQA-UHFFFAOYSA-N 433.504 5.231 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)CCc3ccccc3)o2)cc1 224923580 IHOFIHRUVKMDKF-HXUWFJFHSA-N 440.543 6.158 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225013998 DNCANFOOMKOBAW-QZTJIDSGSA-N 433.017 5.073 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 225145414 FFFMNBBINJQGFE-IBGZPJMESA-N 426.988 5.057 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1cccc(F)c1)C[C@]2(C)NC(=O)Cc1ccc(Cl)cc1 257202175 AKTKOIHHMSWFIJ-MSVQFQDFSA-N 429.963 5.863 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@H](Cc3cccc4ncccc34)C2)cn1 257231935 GITXMLBEKDICGE-HXUWFJFHSA-N 438.531 5.220 0 40 IKAB COc1cc2c(cc1CN1CCC(c3ccc(Cc4cccc(Cl)c4)cn3)CC1)CCC2 257252660 JVPVABOOFGZEIX-UHFFFAOYSA-N 447.022 6.203 0 40 IKAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1cc2ccccc2o1 257294904 QWFCBAXZWFCKDO-IITZRFRKSA-N 442.559 5.048 0 40 IKAB Fc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408613606 YTBIVBYDBQLQJB-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)cc1C 408638176 CDSZFBMIICYUSE-IFMALSPDSA-N 428.532 5.644 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408698843 PZLKUSHQPSMFAB-UHFFFAOYSA-N 445.256 5.772 0 40 IKAB COc1ccc(Cl)cc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 408869633 SWNFQUAVPTZCQC-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccc(Cl)cc1 408905875 AJOFKSXNCWMKJC-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CC(C)(C)CC(C)(C)NC(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408977397 IRICNNOXQDGTJJ-UHFFFAOYSA-N 439.563 5.698 0 40 IKAB CC(C)(C)OC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1ccc(-c2ccccc2)cc1 408998760 OEUWNHSSQKWAFV-XMMPIXPASA-N 428.532 5.654 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409017378 WEPFCSWZDFRTGC-MDBUFAAASA-N 449.931 5.902 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cccc(C)c4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409080730 MKUJJWUAZNOXIH-WPUBFDFZSA-N 445.562 6.035 0 40 IKAB CCCOc1c(I)cc(CNc2ccccc2C)cc1OCC 409116700 LWVFPOCTWZVIMU-UHFFFAOYSA-N 425.310 5.399 0 40 IKAB CCc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc23)c(OC)c1 409120650 VCLBJOWGKANISX-UHFFFAOYSA-N 431.963 7.255 0 40 IKAB Cc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)c(C)n1C(C)(C)C 409231704 FTQAGYKZXOCVRD-WOJGMQOQSA-N 445.972 5.188 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)cc1C 409363664 VGXMMHCAMYHNBK-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB O=C(c1csc(Cc2ccc(F)cc2)n1)N1CC(Cc2ccc(C(F)(F)F)cc2)C1 674739172 RELOLTKJIMFMDG-UHFFFAOYSA-N 434.458 5.207 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(I)ccc1Cl 855724 GIBUUPMWRSYJFY-UHFFFAOYSA-N 425.575 5.216 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccco1)N2 999450 WHLYQWVLMOSFKL-DOMZBBRYSA-N 428.773 5.181 0 40 IKAB COc1ccc(Oc2coc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 1940964 GZWZEOZHUVWYQP-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)c3cc(Br)ccc3n2)cc1 2088849 YUZRLHKMNJTWQG-UHFFFAOYSA-N 449.323 6.042 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)NC2CCCCC2)c1C 2758785 AGPUCGBZSQKUER-UHFFFAOYSA-N 448.972 5.201 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(-c3ccccc3)n2C)c2ccccc2)c1 3301614 NSCJKVKBCIMVLO-QFIPXVFZSA-N 428.561 5.571 0 40 IKAB CC(=O)c1ccc(NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1 3302372 QKMCWHOUFXRNCG-UHFFFAOYSA-N 446.528 5.064 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1 3304963 KYQPHRQXDQEKOC-UHFFFAOYSA-N 439.544 5.455 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCCC3)cc2c1 6197679 BMAKIBBDJDKWGQ-UHFFFAOYSA-N 433.621 5.300 0 40 IKAB CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cccc4ccccc34)c2c1 8383377 HKGPWHJCGBWSDS-UHFFFAOYSA-N 436.942 7.523 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(Br)s3)sc2c1 8590887 DEUQYVNLSFSZKP-UHFFFAOYSA-N 438.416 5.027 0 40 IKAB COc1cc(Cl)c(C)cc1N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 8594352 WITRQPKEOLNDTH-OAQYLSRUSA-N 440.330 6.562 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8755222 VPIWDULREWGDLG-HXUWFJFHSA-N 429.951 5.821 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2Cl)nc2cc(-c3sccc3-n3cccc3)nn12 8782079 KDSJWCKPVNZVFU-UHFFFAOYSA-N 444.869 6.588 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccccc1C(F)(F)F 9037036 YYBZMQDLIPNZTQ-UHFFFAOYSA-N 430.451 5.218 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl 9306652 FQYBLBDVEZGGMA-UHFFFAOYSA-N 442.730 6.121 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)oc2cc1C 9426108 QLLXJTNNMZESCH-WYMLVPIESA-N 434.495 7.024 0 40 IKAB Fc1ccc(-n2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)sc2=S)cc1 9963035 IPVGDCHLMFPFIM-UHFFFAOYSA-N 436.946 5.798 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(Cl)cc1)N(c1nccs1)C3=O 10233040 FWXDBWAWIIHVMP-KRWDZBQOSA-N 443.311 5.615 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ncc(C(F)(F)F)cc1Cl 11399802 WNKNTGMGIBQHGN-UHFFFAOYSA-N 444.034 5.187 0 40 IKAB CC[C@@H](C)n1c(S[C@@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 11424524 SBXNDTGFOCMKIO-AUUYWEPGSA-N 441.622 5.017 0 40 IKAB O=C(Nc1ccccc1F)c1nc(SCc2ccc(F)cc2)ncc1Br 11916318 SNZNATXQPIAMEZ-UHFFFAOYSA-N 436.281 5.062 0 40 IKAB CCN(C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2)c1cccc2ccccc12 12616199 SRSDLRKICKHBRV-UHFFFAOYSA-N 438.527 5.477 0 40 IKAB CCCCCSc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CCCC4 12650420 VSMJDGIWHANTFH-UHFFFAOYSA-N 438.622 5.564 0 40 IKAB O=C(CN[C@H](c1ccccc1)c1cccs1)N1CCC[C@H](c2nc3ccccc3s2)C1 12748967 ZKPFDGFTSOIWBF-YADARESESA-N 447.629 5.443 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)COc2ccccc2Cc2ccccc2)cc1OC 12773481 VQBKGUNUCRPAOD-HSZRJFAPSA-N 431.532 5.037 0 40 IKAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(C(F)(F)F)cc1 12797285 JKOSSRJUGPXJQP-LBPRGKRZSA-N 433.455 5.456 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 12987139 FFEKYNTWYYOIDK-UHFFFAOYSA-N 435.833 5.143 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(CC(=O)Nc1cccc(Cl)c1)CC2 13056065 NFDVJCBHMBGZGQ-QHCPKHFHSA-N 442.968 5.005 0 40 IKAB CCc1ccccc1N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 13062917 LBGVPPQSZFAMAZ-RCCKNPSSSA-N 436.433 5.908 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)c(C)c1 13135086 PRXGQRYLMFADSW-UHFFFAOYSA-N 428.579 5.276 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1 13304259 WTGNJXPKFVUUTK-UHFFFAOYSA-N 444.585 6.334 0 40 IKAB CC(C)(C)c1ccc(N(Cc2cc(-c3ccccc3)cn3nnnc23)C(=O)C2CCC2)cc1 13566562 WADIAVWBRDOMAL-UHFFFAOYSA-N 439.563 5.422 0 40 IKAB Cc1cccc(-c2nnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)c1 14184865 MATUUYHVXUWRNE-SFHVURJKSA-N 441.940 5.012 0 40 IKAB Cc1cccn2cc(COc3ccc(C(=O)Nc4nc5c(s4)C[C@@H](C)CC5)cc3)nc12 14847112 WTLBUTLIAPGEHC-HNNXBMFYSA-N 432.549 5.055 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c12 14898983 AEJHFZDAXFZTKM-UHFFFAOYSA-N 432.814 5.044 0 40 IKAB Cc1cc(C)cc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccco2)c1 17010780 SRQIJKFDKRGOIL-UHFFFAOYSA-N 435.568 6.267 0 40 IKAB CCc1ccc([C@@H]2C(=O)[C@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=S)cc1 17821705 XZFKBVYYEYUQPB-MZKUHISZSA-N 436.580 5.740 0 40 IKAB COc1cc(C(=O)NCCc2cccs2)cc(Br)c1OCc1ccccc1 17909335 NPYCMRSHGQEZKK-UHFFFAOYSA-N 446.366 5.071 0 40 IKAB O=C(c1ccco1)N1CCC(c2nc(-c3ccc(Cl)cc3)ncc2-c2ccncc2)CC1 19341985 WKKRRCICKNNBBO-UHFFFAOYSA-N 444.922 5.472 0 40 IKAB Cc1cc(C)c(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 19632847 CCHPQUGACJAURN-VQHVLOKHSA-N 440.952 5.757 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(Cl)cc2)cc1 19689987 LXVHBTKIIWFVKE-QHCPKHFHSA-N 449.986 5.159 0 40 IKAB COc1ccc2ccccc2c1[C@H]1Nc2nc3ccccc3cc2C(=O)N1c1ccccc1 20274029 JADNWACXLZFKOL-MHZLTWQESA-N 431.495 6.168 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1ccc(Cl)cc1Cl)CO3 20610322 JAZBJCJJJVZJBE-UHFFFAOYSA-N 438.310 6.119 0 40 IKAB biogenic CCOC(=O)[C@@H](C)Sc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 27345843 IPNBBHJMWBOQTP-OAHLLOKOSA-N 437.993 5.368 0 40 IKAB Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4)ncc3Cl)sc2c1 27742742 PDMHSPYQICNVHD-UHFFFAOYSA-N 426.954 5.593 0 40 IKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 27912838 MWTBNJVPFPBLGT-UHFFFAOYSA-N 449.403 6.887 0 40 IKAB COC(=O)c1cccc(CS[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)c1 29374344 WONJZOOTHMYFLU-GFCCVEGCSA-N 426.519 5.026 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3ccccc3-c3ncc(-c4ccccc4)o3)CC2)c1C 30778190 MNFGZFCTKVIIND-UHFFFAOYSA-N 437.543 5.588 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@H]1c1cccs1 32781530 VDZORJAONYHYQF-YKSBVNFPSA-N 434.586 5.248 0 40 IKAB Cc1nc(-c2cccs2)c(CC(=O)N(C)Cc2ccccc2OC(F)(F)F)s1 37162592 BRDZEZGYJQTFCM-UHFFFAOYSA-N 426.485 5.280 0 40 IKAB CCc1ccc(Cn2c(=O)c3sccc3n3c(SCc4ccc(C)cc4)nnc23)cc1 45924593 HLIKPTKQDVJTDO-UHFFFAOYSA-N 446.601 5.317 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 57314136 UUSIGNTWNXLHGS-SAPNQHFASA-N 434.499 5.895 0 40 IKAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2cc(C)c(C)cc2C)c1 57486299 YIAXANINYRUMQE-UHFFFAOYSA-N 435.593 5.302 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@H]1c1nc2ccccc2s1 58160619 AHFVXSDRNUDKAL-NRFANRHFSA-N 445.592 5.265 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)N1CCC(Cc2ccccc2)CC1 59211002 TZOWTBJTTKVVDD-UHFFFAOYSA-N 438.365 5.462 0 40 IKAB CC(C)(C)c1nc2cc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCOCC3)ccc2o1 59984445 SPRMFLCMAKWIJS-UHFFFAOYSA-N 446.469 5.831 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(Cl)ccc3F)oc12 67295997 LHZJOOFJOVNGGV-CLCOLTQESA-N 429.860 5.175 0 40 IKAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCCC1 72215606 RGOXZCNOICUZCQ-UHFFFAOYSA-N 447.576 5.253 0 40 IKAB COc1ccc(-n2ccc(C(=O)Nc3ccccc3SC[C@@H]3CC3(Cl)Cl)n2)cc1 83952409 IMOARSUGPOGTNR-AWEZNQCLSA-N 448.375 5.419 0 40 IKAB O=C(NC[C@H](O)c1ccc(F)cc1F)Nc1ccc(F)cc1-c1nc2ccccc2s1 84603771 BDAZVGFJAZZOON-IBGZPJMESA-N 443.450 5.236 0 40 IKAB CCOC(=O)CC(=O)C[C@@H](O)/C=C\c1c(C2CC2)nc2ccccc2c1-c1ccc(F)cc1 85473402 DPBQVLWVWXLRGW-ODLZTCLXSA-N 447.506 5.205 0 40 IKAB O=C(Nc1ccc(-c2csc(NC(=O)c3cccc(F)c3)n2)cc1)c1cccc(F)c1 90451230 WPZDHMHRLYISRQ-UHFFFAOYSA-N 435.455 5.593 0 40 IKAB COc1ccc(-c2csc(-n3nc(C)c(-c4cc(C)nn4-c4ccccc4)c3O)n2)cc1 100334466 SOKCRQRLDCKMKU-UHFFFAOYSA-N 443.532 5.180 0 40 IKAB CC(C)=CCCC1=CC[C@H](C2OCC3(CC=C(CCC=C(C)C)C[C@H]3C)CO2)[C@H](C)C1 100741628 MFGNVTISQZYJEE-UDNJWDCISA-N 426.685 8.167 0 40 IKAB biogenic COCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 100858250 RUZAREAIOWFWCL-OCEACIFDSA-N 429.545 5.348 0 40 IKAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2N[C@H]3C(Cl)(Cl)Cl)cc1 101892767 BNQNTYCPFBFSJT-LJQANCHMSA-N 435.742 5.390 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102365984 RTAHFWNRSRUYHG-YUOVDFJASA-N 431.418 5.739 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C(C)(C)C)cc1 102653685 QQXFLCVXVIZOCK-AREMUKBSSA-N 430.592 7.187 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 107791221 CQGXKBBGBHHOAR-UHFFFAOYSA-N 438.597 5.150 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 222984226 WQONJRMKWCEBPD-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 223031639 KADPQLNZAYAKSR-NRFANRHFSA-N 438.612 5.005 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)cc1 223956042 WQPRXTVCQLICNL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C)cc1 224012552 VZIKJMABUFJCGS-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224264111 GDMPLGLXGDAGHM-XMMPIXPASA-N 436.577 5.010 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 224846769 YVKQSCFMOMXHKG-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1C 225142429 XVUJHIISQILLNX-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225168589 CQPKFVBSDQWFHI-RTBURBONSA-N 445.003 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225493959 KVSYOSIGLGJIKY-AVRDEDQJSA-N 447.044 5.463 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@]12C 248264575 NPYXBHZQVNRAOF-NPWHHXEDSA-N 430.717 7.405 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4cccc5ccncc45)CC3)CCOCC2)cc1 257265875 MASFSUWFNCADJT-HSZRJFAPSA-N 442.603 5.463 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccc(I)cc1 408547254 XRAMSYFLZXLHNF-UHFFFAOYSA-N 445.325 5.836 0 40 IKAB Fc1ccccc1N1CCN(C(=S)c2ccccc2OCc2ccc(Cl)cc2)CC1 408576108 PSHLTJMZPNSDFW-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652757 IDVDGDBCFJTTLO-WOSLMQHMSA-N 448.349 5.341 0 40 IKAB COc1cccc(C(=O)CN(C(=O)c2ccc(Cl)c(Cl)c2)n2c(C)ccc2C)c1 408683215 KVKVTDWFDJBLBR-UHFFFAOYSA-N 431.319 5.082 0 40 IKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2ccc(Cl)cc2)cc1Cl 408692359 KRQSSWZEEFJQPW-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccc(F)cc2)cc1 408694748 MFWVZCSRYIPQLH-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)c1 408696476 ADUYSZPZIDZSDU-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Cl)c2)cc1-c1cccc2ccccc12 408726762 UFUQJDMUKWCZMK-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCOc1ccc(Br)cc1/C=C1\S[C@@H](Nc2ccc(CC)cc2)NC1=O 408775379 PQXUPIRQDVMNFR-SQWSFHKJSA-N 433.371 5.010 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409121914 VVUHYFFSTBGKQZ-YVLHZVERSA-N 426.299 6.074 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2)C(=O)N1CCCc1ccccc1 409128485 PANYWZPNMYVCJS-HKOYGPOVSA-N 429.541 5.935 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1cc(C)ccc1C 409206309 UDGUSDLXVHKMQU-UHFFFAOYSA-N 434.605 6.598 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2c(OCCCC)ccc3ccccc23)C1=O 409209321 FRCYAYUPWYSTFH-QNGOZBTKSA-N 441.549 5.398 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1cccc(OCc2ccccc2Cl)c1 409370133 LSJZUHMVKCEYGS-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409408373 CDPDDYUICIYQGE-QFIPXVFZSA-N 426.925 5.268 0 40 IKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccc(Cl)cc2)n1 575443198 QKBMYBOWYCBSMC-UHFFFAOYSA-N 448.910 5.729 0 40 IKAB CCCCOc1ccc2c(c1)[C@H]1O[C@@H](COc3ccccc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264828 POFOHHNSEJTNPN-HIGZBPRKSA-N 440.536 5.263 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 621354134 YUIUKRJDNWRPDI-ZEQKJWHPSA-N 430.548 5.359 0 40 IKAB O=C1O[C@@]2(CCCN(C(=O)C3(c4ccccc4)CCCC3)CC2)CN1c1cccc(F)c1 1848355685 FQXPARKQPRDUDX-RUZDIDTESA-N 436.527 5.046 0 40 IKAB CCc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 646669 LGPQMDPGGXKNJU-UHFFFAOYSA-N 442.437 5.538 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3n2)cc1 649115 NHRFALKQNLSMGP-UHFFFAOYSA-N 442.853 5.557 0 40 IKAB O=C(NCc1ccccc1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 674984 VVYCOCZXWXVGDJ-WMZOPIPTSA-N 434.849 5.127 0 40 IKAB Cc1ccc(CN(C(=O)c2cccs2)[C@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1333544 ZDNUPSBUPFZRAO-QHCPKHFHSA-N 436.577 5.482 0 40 IKAB Fc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2ccco2)cc1 1337912 QXPTZOBQELYJJK-DEOSSOPVSA-N 431.515 5.312 0 40 IKAB COCc1cc(C)nc2sc3c(c12)N[C@H](c1ccc(OC)cc1)n1c-3nc2ccccc21 1424583 NQFVMPSUWKLVOJ-QHCPKHFHSA-N 442.544 5.749 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 2069805 NOKLFHWKONXUJK-SFHVURJKSA-N 434.967 6.533 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3ccc(Cl)cc3)c3c(C)oc(C)c3c(=O)c2)cc1 2103322 ROSACJBKHNMULA-UHFFFAOYSA-N 448.902 6.348 0 40 IKAB biogenic Brc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2207987 KICCANIRBNIKHG-UHFFFAOYSA-N 431.337 5.589 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccccc2C)cc1 2265073 CFRNPRRHROVHSV-UHFFFAOYSA-N 442.559 6.020 0 40 IKAB CCc1cc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)ccc1Cl 2324752 UKCKKAPSRITOON-UHFFFAOYSA-N 448.950 5.757 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccco1 2454071 WWJBAWQCCJLBLF-UHFFFAOYSA-N 446.576 5.496 0 40 IKAB COc1cccc2c1N(S(=O)(=O)c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 3043602 KALAEBARJJCPKZ-UHFFFAOYSA-N 449.644 5.967 0 40 IKAB CCCCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 3123706 ZNIFAUWONSYYQK-RLWLMLJZSA-N 426.560 6.390 0 40 IKAB CCN(CC)P1Oc2c(cc(C)cc2C(C)(C)C)Cc2cc(C)cc(C(C)(C)C)c2O1 3125925 NRGOJRVWTVSCJH-UHFFFAOYSA-N 441.596 7.829 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccnc1 3363881 VSYSRAUPYDKEAO-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C(COC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)Nc1ccc2c(c1)CCC2 3395367 GBUCCUIXTYKFOY-UHFFFAOYSA-N 429.394 5.250 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)c1 8673875 KBSUAXMJBVAHIN-UHFFFAOYSA-N 439.587 5.649 0 40 IKAB COc1ccc(NC(=O)[C@H](Sc2nnc(C)n2-c2cccc(C)c2)c2ccccc2)cc1 8724182 KRZNOSURFKUXPV-HSZRJFAPSA-N 444.560 5.365 0 40 IKAB COc1ccc(OCCCCn2c([C@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)cc1 8754654 JYHFOWCZPYVLDE-IBGZPJMESA-N 435.568 5.019 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(OCC)c(Cl)c3)sc2c1 8903160 CMYPLXQPAGYCGZ-UHFFFAOYSA-N 432.929 5.558 0 40 IKAB COC(=O)c1ccc(NC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1 9183824 ZKGFCHBELJNUNL-UHFFFAOYSA-N 448.331 5.115 0 40 IKAB COc1ccc(C(=O)Nc2nc3ccccc3n2CCOc2cccc3ccccc23)cc1 9272071 LWGRUHPYHQUXED-UHFFFAOYSA-N 437.499 5.529 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12 9307387 RVXTXUAKZIPNHI-MRXNPFEDSA-N 449.986 5.754 0 40 IKAB O=C(NC(=S)Nc1ccc2c3c(cccc13)CC2)c1ccc(C(=O)c2ccccc2)cc1 9368808 HEBPGDROEQGVSB-UHFFFAOYSA-N 436.536 5.296 0 40 IKAB Cc1oc2cc(OCC(=O)N[C@@H](C)c3cccs3)ccc2c(=O)c1Oc1ccccc1 9429082 HMJMCWBGBMBELD-HNNXBMFYSA-N 435.501 5.211 0 40 IKAB CCCSc1ncc(Cl)c(C(=O)Nc2nnc(SCc3ccccc3)s2)n1 9431836 HXDRZXWVTSVRFS-UHFFFAOYSA-N 438.003 5.028 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)c1 9432064 FRNFNOOJDDWYRR-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB Cc1cc(C(=O)CSc2nncn2-c2ccccc2F)c(C)n1CCc1cccs1 9867305 GKBYHDRDVBQONB-UHFFFAOYSA-N 440.569 5.104 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)c1cccc(Cl)c1 10331845 KUMFNSQOSPVEFS-UHFFFAOYSA-N 449.016 5.149 0 40 IKAB CCc1cccc(NC(=O)CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccccc2)c1 11214754 FFZANPUHTLBKJV-LJQANCHMSA-N 449.624 5.107 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)cc1 12196645 UHWXIHJLBMOMJH-JYFHCDHNSA-N 446.572 6.058 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 12658066 BMCDTDACINMCRG-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic Cc1cccc2sc(N(Cc3ccccc3)C(=O)C[C@H]3OC(=O)c4ccccc43)nc12 13149863 VZQFBPVHELPJDL-HXUWFJFHSA-N 428.513 5.440 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(C(C)C)cc4)cc23)cc1 13564707 KCIHNPXHWBQHQW-UHFFFAOYSA-N 448.570 6.425 0 40 IKAB O=C(/N=S(/C=C/c1ccccc1)NC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1 13739213 GLPLIGNACKYUKD-CCEZHUSRSA-N 443.355 5.951 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C)c(F)c3)n2Cc2ccco2)c1 13804299 XZDIVDNOFKXEJL-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1C 14270126 DECVFKQRVWROEX-SOFGYWHQSA-N 445.371 6.397 0 40 IKAB CSc1ccc(CN(C)C(=O)c2ccc(-c3nnc(-c4ccccc4C)o3)cc2)cc1 14270948 MWMOHKINXBEHTK-UHFFFAOYSA-N 429.545 5.706 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 14271303 SYQPNUUCFOAWGI-UHFFFAOYSA-N 446.359 5.622 0 40 IKAB C[C@H]1C[C@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1 15906309 WWALZUPRANOMKH-ALIKMERQSA-N 434.347 7.717 0 40 IKAB Cc1ccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 20632460 HBZQWNWJAUKKQN-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 20645459 JFXRPMPVIYHOFV-LIRRHRJNSA-N 441.984 5.069 0 40 IKAB CS(=O)(=O)c1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Cl 21319379 VJDJBWQYOCJKGC-UHFFFAOYSA-N 445.768 5.033 0 40 IKAB O=c1c2oc3ccccc3c2nc(SCc2nc(-c3ccccc3)no2)n1C1CCCC1 21657923 AWPZUOJCGXVRNH-UHFFFAOYSA-N 444.516 5.600 0 40 IKAB Cc1nc(NC(=O)CSc2nc(C)c(C)n2C2CCCCC2)c(Cl)cc1Cl 22216154 LUWUWELQYWQIGE-UHFFFAOYSA-N 427.401 5.746 0 40 IKAB Cc1cccn2cc(CSc3nnc(Cc4cccs4)n3CCc3ccccc3)nc12 23473114 BKBWTQWTPFGYSP-UHFFFAOYSA-N 445.617 5.422 0 40 IKAB CCCc1ccc(NC(=O)[C@@H](CCSC)NC(=O)c2ccc(Cl)cc2Cl)cc1 23722141 HCXVWXDABYLEQM-LJQANCHMSA-N 439.408 5.436 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc(CN2CCCC2)nc2sc(C)c(C)c12 24065990 CWDBNXMZJJVBTI-UHFFFAOYSA-N 441.622 5.407 0 40 IKAB Fc1cccc(Cl)c1Cn1c(-c2ccccc2)nnc1-c1cccc(Br)c1 24522816 PLQCUUTWOLZFOP-UHFFFAOYSA-N 442.719 6.215 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1sc(-c2ccc(Cl)cc2)nc1C 25276435 HXIMXPPGJCVGMU-UHFFFAOYSA-N 442.928 5.467 0 40 IKAB Cc1ccccc1[C@H](NC(=O)CSCc1c(Cl)cccc1Cl)c1ccccc1 30860928 UJCTYBFCGQOTOZ-HSZRJFAPSA-N 430.400 6.441 0 40 IKAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(Cc2cccs2)CC1 32722543 VEXBLFDPTHJETR-UHFFFAOYSA-N 449.601 5.140 0 40 IKAB COc1cc(Br)c(CC(=O)N[C@@H](C)c2ccc3ccccc3c2)cc1OC 32740833 PHLIIOJBQYJBRV-AWEZNQCLSA-N 428.326 5.039 0 40 IKAB CCn1c(CNC(=O)c2cccc(C)c2)nnc1SCc1ccc(Cl)c(Cl)c1 33783084 ARARAAKBBGTDBZ-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1c(F)cccc1Cl 35400656 JLNOZKGJTQYPDW-UHFFFAOYSA-N 449.888 5.688 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 57317247 GNYQWWFGWQPUGU-UHFFFAOYSA-N 441.639 5.166 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)cc(Cl)c3)o2)c1C 59176146 FEFYAXABTZPQHZ-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB O=c1c2sccc2nc(SCc2cccc(Cl)c2)n1CCc1ccc(Cl)cc1 71768759 WGKGEYIQZUCIAN-UHFFFAOYSA-N 447.412 6.300 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)N(Cc3ccccn3)C3CCCC3)sc3ccccc23)C1 72352618 BOAMVBLIJRGYSE-IBGZPJMESA-N 447.604 5.217 0 40 IKAB COC(=O)c1cc(-c2ccc(OC)cc2)nc2c1c(C)nn2-c1cccc(C(F)(F)F)c1 73658769 STSOTEORGOMGGF-UHFFFAOYSA-N 441.409 5.210 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012655 VGBBKINMKRASIP-AWEZNQCLSA-N 430.217 5.041 0 40 IKAB O=C(NCc1ccccc1F)[C@H]1c2ccccc2C(=O)N(C2CCCCC2)C12CCCC2 96344424 QXPBPMVCMFUDSG-XMMPIXPASA-N 434.555 5.327 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3cccs3)[C@H](c3ccccc3)C2=C(O)C1 100141906 USGQSXKQMPPQEB-XMMPIXPASA-N 428.557 6.854 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)c1ccccc1 103083190 KUJZVZOQPGRMOL-SDXDJHTJSA-N 425.509 5.823 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(Cl)cc4)o3)C2=O)c1 106708894 UKZATOMZOZCRRG-UNOMPAQXSA-N 441.961 6.629 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccccc1 214042256 KNYFALOCAGXXAH-LFVJCYFKSA-N 445.540 5.901 0 40 IKAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 214605850 BJTXCSKNIIPAQR-WOJGMQOQSA-N 432.339 5.393 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cc1OC 215092578 QLIPGJZTOFAOAG-WOJGMQOQSA-N 448.338 5.093 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 216368513 QWDPXAFRXGJBGJ-UHFFFAOYSA-N 437.561 5.333 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 219846917 YABNBIFTSZUUCK-HSZRJFAPSA-N 435.951 6.260 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222714170 AKAXYVTTXYMEQE-NRFANRHFSA-N 440.653 5.177 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222896751 CGPWZUWXKCGGMK-VQTJNVASSA-N 441.940 5.076 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cc(Br)cs2)N1Cc1ccccc1 223370574 KQKADZZBKIELCK-ZWKOTPCHSA-N 430.396 5.078 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2C(C)C)c(Br)c1 223781099 JXEJLILUXHRJCI-UHFFFAOYSA-N 434.374 5.270 0 40 IKAB Cc1c(Br)cnc(NC(=S)NCc2ccc(Cl)cc2)c1Br 223929139 IFTQMWREJWNVQT-UHFFFAOYSA-N 449.599 5.055 0 40 IKAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224264161 GDMPLGLXGDAGHM-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB O=C(CCc1cccc2ccccc12)Nc1ccc(S(=O)(=O)Nc2ccccc2F)cc1 224567974 YVVFCUSNSFIZQL-UHFFFAOYSA-N 448.519 5.351 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224676907 FETCVXUEDIZSRQ-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC)o2)cc1 224922627 CDXGORPJJRTVTM-UHFFFAOYSA-N 430.529 6.382 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 225548968 BMINWRUFGBTQBZ-XXBNENTESA-N 444.616 5.089 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc(C)c1OCC(C)C 225557775 GCMMJAZFRCFYIG-UHFFFAOYSA-N 448.434 7.486 0 40 IKAB NC(=O)/C=C/c1cc(Cl)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226341491 PXHRONJHQVLAKB-DUXPYHPUSA-N 435.532 5.487 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 408652392 IAANIILWPQCRCO-LATRNWQMSA-N 446.330 5.020 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1 408695147 QTFOIAJKQGHUEK-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)c1 408697790 JNJZNEVPOGESMY-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)cc1 408699150 ROCCZELXTQMSKE-UHFFFAOYSA-N 437.330 6.056 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C(C)(C)C)cc3)n2C)cc1 409202559 UKFYFBKAVJIYJI-OHYPFYFLSA-N 440.612 6.768 0 40 IKAB CCCN1C(=O)N/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)C1=O 409248185 GPRSEQVXTMYECC-PXLXIMEGSA-N 430.504 5.120 0 40 IKAB CCOc1ccc2c(c1)[C@H]1O[C@@H](CCc3cccc(OC)c3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264489 DRFJFAZNQWARBR-HOUBMWHVSA-N 440.536 5.045 0 40 IKAB COc1cccc(CC[C@@H]2O[C@@H]3c4cccc(C(C)C)c4OC(C)(C)[C@H]3C[C@@H]2C(=O)O)c1 585265249 ZWODWUNFSDCGHY-KELBGUDLSA-N 438.564 5.769 0 40 IKAB CCc1ccccc1-c1cccc(CC2(C(=O)NC3CCN(C)CC3)CCC(OC)CC2)c1 2037838681 VTVRJGGTFFTTOL-UHFFFAOYSA-N 448.651 5.244 0 40 IKAB O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)Nc1ccccc1 877730 HSUBANMKZNSVGI-UHFFFAOYSA-N 449.967 5.264 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2)n1-c1cccc(Cl)c1 882834 NKSIOMLODAZCDL-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(F)cc2)cc1 969894 UGBBWRMDBUNWAC-ZEQRLZLVSA-N 444.897 5.592 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)N1CCCc2ccccc21 1062534 FUXOMKGTBBEIGN-UHFFFAOYSA-N 437.568 5.882 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C 1371163 NISRFQJYDFBXKN-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB Cc1c(CNC(=O)Nc2ccc(Cl)cc2)c(-n2cccc2)n(Cc2ccccc2)c1C 1398814 DMMMBRCMMHHTJK-UHFFFAOYSA-N 432.955 5.919 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c(Br)cc1O 1416523 CBDCBUXCYQFIOL-NVMNQCDNSA-N 448.338 5.098 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Nc1cccc(Cl)c1 1813615 VDVMLWQKHWAQMG-UHFFFAOYSA-N 433.023 7.455 0 40 IKAB CCCCCOc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 1859196 LURYJIPDMXXWSL-UHFFFAOYSA-N 439.492 7.550 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccccc2)cc1 2156400 FKWXZHXWPHYBQI-RUZDIDTESA-N 439.511 5.206 0 40 IKAB biogenic CC(=O)C1=NN(c2ccc(C)cc2)[C@@H](c2ccc(F)cc2)N1c1ccc(N2CCCC2)cc1 2177883 AGERXIFICRQMOZ-MHZLTWQESA-N 442.538 5.662 0 40 IKAB CCCCCCn1c(N)c(S(=O)(=O)c2cc(C)ccc2C)c2nc3ccccc3nc21 2332657 NOTFBOPOLXPYKS-UHFFFAOYSA-N 436.581 5.197 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1ccc(Cl)cc1 2405531 BSXNBIBBHQASKV-HXUWFJFHSA-N 446.330 5.460 0 40 IKAB O=C(COc1ccc(OCc2ccccc2)cc1)Nc1nc2c(F)cc(F)cc2s1 2632852 AWBVRMIVSGVOLN-UHFFFAOYSA-N 426.444 5.171 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4Cl)c3N2)cc1 3012769 KTFLEGVYMUZVHD-MSOLQXFVSA-N 434.849 5.758 0 40 IKAB Cc1ccc(C(=O)N[C@@H](Nc2ccc(Br)cc2)C(Cl)(Cl)Cl)cc1 3109649 SFWCQZXGVHPSJQ-OAHLLOKOSA-N 436.564 5.296 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 3280589 GFCLPUAYRGWKQQ-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB O=C(CSc1cc(Cl)ccc1Cl)OCC(=O)c1ccccc1Br 3297079 YXJVAALMTTXRSO-UHFFFAOYSA-N 434.138 5.274 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)CSc1nnc(NCc2ccccc2)s1 3416588 RDXIYIHTUJALJV-UHFFFAOYSA-N 442.610 5.187 0 40 IKAB COc1ccccc1[C@@]1(CCNCc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 5399489 IQUJHWGJJULTIB-SVBPBHIXSA-N 425.613 5.735 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3Cl)nc2c1 8384576 LONVOAWQWFAYNS-UHFFFAOYSA-N 432.951 7.315 0 40 IKAB C[C@@]12CC3CC(NCc4cc(Cl)ccc4OCc4ccccc4F)(C1)C[C@](C)(C3)C2 8534512 TXYXEUMNACRLRU-WNPZUFKQSA-N 427.991 6.897 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)N(C)c3ccccc3)sc2c1 8673756 XZAVTUSVFJQNRZ-UHFFFAOYSA-N 447.585 5.612 0 40 IKAB aggregator Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)c1 8685419 BJZZOVGIMGJBOR-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB aggregator CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 8815659 LVNFFVBQVXCECR-ZIAGYGMSSA-N 435.929 5.075 0 40 IKAB Clc1ccc(Nc2nc(-c3ccccc3)c3cc(Br)ccc3n2)c(Cl)c1 8817823 MYYOIJJNVHZCQP-UHFFFAOYSA-N 445.147 7.110 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 9111592 QXFIDFIJVRIMGH-UHFFFAOYSA-N 436.345 6.029 0 40 IKAB COC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 9289229 OFQNAXSYPWTZJA-NDEPHWFRSA-N 446.506 5.706 0 40 IKAB Cn1c(NC(=O)c2ccccc2F)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 9488562 IVELAMLNQQAMLB-UHFFFAOYSA-N 441.289 5.904 0 40 IKAB CC(C)n1nccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9581883 XAXZGOOTOBRTFS-KRWDZBQOSA-N 444.564 5.102 0 40 IKAB COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(Cl)cc4)c3c2c1 9676039 QDRABZMRDSFMGH-UHFFFAOYSA-N 445.906 5.920 0 40 IKAB Cc1ccc(-c2cc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)on2)cc1 9812356 YUWMTMPMYUHTBW-UHFFFAOYSA-N 437.550 5.036 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n1 9863406 KKADRPUQSTXSCJ-INIZCTEOSA-N 434.590 5.373 0 40 IKAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 10156909 LIUCBHXXKCPMJW-LJQANCHMSA-N 430.939 5.789 0 40 IKAB COc1ccccc1CNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 11867555 XEUJIJBSVXBAAT-UHFFFAOYSA-N 433.504 5.030 0 40 IKAB Cc1ccccc1-n1c(-c2cccnc2)nn(CN2CCC[C@H]2c2cccs2)c1=S 12551043 OLCWJOJHJJRGRF-FQEVSTJZSA-N 433.606 5.630 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)n(C[C@@H]2CCCO2)c1C 12733124 PPJIHOBNLXSFMX-FPOVZHCZSA-N 435.593 5.465 0 40 IKAB CC(=O)c1ccc(N(Cc2coc(-c3ccccc3)n2)S(=O)(=O)c2ccc(C)cc2)cc1 13005808 LFHJNXPNJZRCBL-UHFFFAOYSA-N 446.528 5.248 0 40 IKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NC3CCCCCC3)c2c1 13084490 CIKDLESZCYBZFV-UHFFFAOYSA-N 433.621 6.099 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3cccnc3)cc2)CC1 13118148 QOKQXHHSNHABTC-UHFFFAOYSA-N 437.547 5.423 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628181 OEWPLVGWEKAXBD-LICLKQGHSA-N 428.532 5.897 0 40 IKAB C=CCN(Cc1ccc(Cl)s1)C(=O)c1cc(OC)c(Br)c(OC)c1 15565962 XBGVPJRZWMPUJV-UHFFFAOYSA-N 430.751 5.010 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(C)ccc3s2)c1OC 15881823 LXGKLMZEGKTKGS-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 16347312 OCPCAPCUGSCRQJ-WYMLVPIESA-N 448.522 7.332 0 40 IKAB Cc1cccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)c1 16349920 LAEKJNULEDHQMT-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB c1ccc(-c2nnc(-c3ccc(-c4ccc(-c5nnc(-c6ccccc6)o5)cc4)cc3)o2)cc1 16493643 GZQGJXRQLBNBMX-UHFFFAOYSA-N 442.478 6.788 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2ccccc2)cc1 16788724 IOAFTHJMDSNVJA-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCN(C(=O)CSc1nc2c(-c3ccc(C)cc3)csc2c(=O)n1C)c1ccccc1 16846079 BMRGUZGIOINKGO-UHFFFAOYSA-N 449.601 5.116 0 40 IKAB Cc1ccc(CS(=O)(=O)c2cn(CC(=O)Nc3cc(C)ccc3C)c3ccccc23)cc1 17041703 XPELNAQFZGUIDJ-UHFFFAOYSA-N 446.572 5.179 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc3O)oc2c1 17096517 SVQHWMGXLRCPRQ-XYOKQWHBSA-N 429.501 5.035 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1 17098553 CPRPVHSUJVNXEO-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(Nc4ccccc4Cl)s3)o2)c1 17837532 MJVBASOZQXKDSE-GFCCVEGCSA-N 429.958 6.147 0 40 IKAB Cc1c(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)[nH]c2ccc(F)cc12 19565474 PPXBKEPZNKWUMH-OAQYLSRUSA-N 442.604 5.188 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20037144 SDYAEUMDTQEPKG-VWLOTQADSA-N 438.527 5.566 0 40 IKAB Cc1ccc(NCc2ccc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cc2)cc1 20367881 GITVIVGUIRKZKN-UHFFFAOYSA-N 428.315 5.954 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1F 20395516 AUTVOJASWMLWCW-UHFFFAOYSA-N 434.496 6.120 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4ccc(C)c(C)c4)nc23)cc1 23126906 WNVYQUQNTCSWAB-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc2ccc(N3CCOCC3)cc2s1 32127601 YODNVVVHJKJECP-QHHAFSJGSA-N 434.348 5.092 0 40 IKAB CCOc1cccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)c1 32951354 RKTJNYCSPWUCKM-UHFFFAOYSA-N 446.576 6.083 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 33597883 KNGRZDQMCLRRJM-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB Cc1cccc(OCC(=O)Nc2nc(-c3ccccc3)c(NC(=O)c3ccccc3)s2)c1 35671776 PSNGQIPJENXACI-UHFFFAOYSA-N 443.528 5.388 0 40 IKAB CCOC(=O)Cn1nc(C)c2c(C(F)(F)F)cc(-c3ccc(Cl)c(Cl)c3)nc21 36615447 AATNDLUQBZMGMI-UHFFFAOYSA-N 432.229 5.295 0 40 IKAB CCOc1c(Br)cc(CNc2cccc(Cl)c2C)cc1Br 37196627 HQICZKAFWRAAMH-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB COc1ccc(-c2cc(N[C@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 40002635 WHJOQNQPQJZMCW-OAHLLOKOSA-N 444.453 5.829 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)[C@@H]1CCCN1C(=O)c1cnc(-c2ccccc2)s1 48263769 KITGQIQFVLIYGA-KRWDZBQOSA-N 446.359 5.360 0 40 IKAB O[C@H](CN1c2ccccc2Sc2ccccc21)Cn1c(C(F)(F)F)nc2ccccc21 54297372 GTXIINRRKULIDE-OAHLLOKOSA-N 441.478 5.719 0 40 IKAB COc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(Cl)cc1Cl 59409172 HGJZQTXCHRODDF-QFIPXVFZSA-N 445.371 6.278 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cccc(C)c3)sc2-c2ccc(OC)cc2)cc1 59464310 NVGSYUYKAXDOLR-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102722592 MQGPCBFYKQYAIN-FNZWTVRRSA-N 448.526 5.889 0 40 IKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 107663758 RRYRMJYVPPJOIL-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 136611397 PLFDGEWUSRERIU-BFHHXVSESA-N 447.534 5.509 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 219479875 PUCLYVOXCIHWTB-LJQANCHMSA-N 448.588 5.172 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223222991 LTOHRVJISPBNHG-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cc(C)cc(C)c1 223780315 ZOROMJNDKQMGLJ-IBGZPJMESA-N 447.044 5.134 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)cc1 223995163 AUVVJJDYPJWFEU-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224440215 BDTRHVVDTOUEEU-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CSc3ccc(Cl)cc3)cc2)cc1 224535188 RPWFBKWSKHLQAJ-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 224777130 BLOLQWGCJHCNHZ-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224819866 FURQOBCTAOSFBU-LJQANCHMSA-N 442.600 5.092 0 40 IKAB Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(I)c1 225022625 PAACEVAYLTWXAJ-UHFFFAOYSA-N 427.285 5.119 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225346005 OJCVMEJAVUJDIQ-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(CC(C)C)n1 257246548 IUQMGNLSQPWQLP-UHFFFAOYSA-N 440.971 6.333 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccccc1C 408555847 GYRNKTDCMDZMBF-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Clc1cc(NCc2ccccc2OCc2ccccc2Cl)ccc1Br 408558941 TVKTVCKQZUILGO-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2ccccc2)cc1 408585910 KCDGYBFNRBNSLA-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(Br)c1OC 408620347 LYKXOYGTTHCGKY-UHFFFAOYSA-N 442.309 5.819 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)c1 408627536 NYMSJZUUGFOVFK-UHFFFAOYSA-N 449.016 5.600 0 40 IKAB CCc1nnc(S/C(=C\c2cccc(OCc3cccc4ccccc34)c2)C(=O)O)o1 408631403 ILUQZVPGDDEBAZ-STZFKDTASA-N 432.501 5.582 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408643929 RZXAUZHDRPVENI-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408693786 DNUQWCHOKZOQKB-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@]2(CCCN2c2ncnc3ccccc23)CC1 585100846 YQAPANORYLKLMI-DEOSSOPVSA-N 438.934 5.088 0 40 IKAB CCCc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3cccc(F)c3)O[C@H]21 585265231 ZIAAGGLGSGLXDP-HOUBMWHVSA-N 426.528 5.729 0 40 IKAB O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)nc1COc1ccc(Cl)cc1 585265895 UJEIUINGZQXUAJ-UHFFFAOYSA-N 445.902 6.258 0 40 IKAB O=C(NCc1ccccc1-c1cccc(C(=O)O)c1)OCC1c2ccccc2-c2ccccc21 1535646123 XAXMCMCXSAUANP-UHFFFAOYSA-N 449.506 6.091 0 40 IKAB CNc1nc(C)c(C(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 1848351854 NEPXYDADYVELTH-MRXNPFEDSA-N 439.560 5.099 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)c(C)c1 800052 SUWBEXVGILQERW-LJQANCHMSA-N 438.515 5.450 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)c5ccccc5)nnc4c23)C1 1339627 XZKOJZDLCVXNCV-CYBMUJFWSA-N 434.590 5.316 0 40 IKAB Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1ccc(Cl)cc1 1363152 AYIJYNPXWZHXOJ-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(S(=O)(=O)c2cccc(C(F)(F)F)c2)[C@H]3CCC1 1423348 FYEJBHLFNVNLCY-FQEVSTJZSA-N 434.483 5.050 0 40 IKAB COc1cc(/C=C/C(=O)N(C(C)C)C(C)C)cc(Br)c1OCc1ccccc1 1787353 FCOHUSNXVVDCQR-VAWYXSNFSA-N 446.385 5.695 0 40 IKAB CCOc1ccc(NC(=O)c2c(NC(=O)CC)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 2182397 DPFNNDMADNIKOP-OAHLLOKOSA-N 428.598 5.899 0 40 IKAB COc1ccc(C(=O)c2cc(Cl)c(C(=O)c3ccc(OC)c(C)c3)cc2Cl)cc1C 2345462 KYDGKUFRRFZWGD-UHFFFAOYSA-N 443.326 6.089 0 40 IKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(OC)cc1 2399472 PNCAPBMRQSAXGP-VVFBEHOQSA-N 438.508 5.902 0 40 IKAB Clc1ccc(-c2csc3ncnc(SCc4ccc(Cl)cc4Cl)c23)cc1 2399505 CXZNIPVZEDPBAI-UHFFFAOYSA-N 437.804 7.611 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2)cc1 2408219 HDGBVBKWUQVBPB-HSZRJFAPSA-N 445.902 5.243 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2Cc2ccco2)cc1 2450285 LBZRPGUUCXRRRF-UHFFFAOYSA-N 448.548 5.024 0 40 IKAB COc1ccc(CCNC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)cc1 2645277 FLZVNJLARUAZCL-IBGZPJMESA-N 428.882 5.163 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cccc(OC(=S)Nc2cccc(Br)c2)c1 3079553 NYHMZJXPTDSBCO-UHFFFAOYSA-N 445.313 5.616 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1ccc(Cc2ccccc2)cc1 3144578 JBOCLJAKOZVOHS-QYVZARNFSA-N 441.530 5.674 0 40 IKAB O=C(c1cc2c(s1)CCC2)N(C(=O)c1cc2c(s1)CCC2)c1ccc(Cl)cn1 3180374 CWAKCVKKLKTIKX-UHFFFAOYSA-N 428.966 5.323 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(F)cc3)n2-c2ccccc2C(C)C)cc1 3263975 RGLCKLRYNXVRLB-UHFFFAOYSA-N 433.552 6.498 0 40 IKAB O=C(COC(=O)c1ccccc1C(=O)c1ccccc1)Nc1ccc(SC(F)F)cc1 3273565 GFHPNFJBLLDEKA-UHFFFAOYSA-N 441.455 5.028 0 40 IKAB Cc1ccc(CSc2nnc(Cn3cnc4ccccc43)n2-c2ccccc2Cl)cc1 3347535 VSJKKDMLCGQFIM-UHFFFAOYSA-N 445.979 5.919 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3383973 IRKJGESZGLIHHE-OAHLLOKOSA-N 427.331 5.666 0 40 IKAB CCCCOP(=O)(OCCCC)[C@H](Nc1nnn(CCC)n1)c1ccc(F)cc1 4481558 KXKCWHKYWCDTKM-SFHVURJKSA-N 427.461 5.159 0 40 IKAB CCCCCCOc1ccc(C(=O)O[C@H](C)C(=O)Nc2c(CC)cccc2CC)cc1 5487844 ZWSSSRRBSJKZGL-LJQANCHMSA-N 425.569 5.955 0 40 IKAB COC(=O)CC[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[C@H](O)[C@@]21C 8382414 FVYCOKNQUSFTBH-RFTNVYQZSA-N 448.644 5.137 0 40 IKAB biogenic,in-vitro COc1ccc2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1 8682507 JRROVPGSGCFRFE-UHFFFAOYSA-N 428.469 5.331 0 40 IKAB COc1ccc(-c2nnc(CSc3ncc(-c4ccc(Br)cc4)[nH]3)o2)cc1 8709345 LJUABNZIXSIOPY-UHFFFAOYSA-N 443.326 5.190 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccccc3)C[C@H]21 8717739 BCNHOXYWCKGSTG-RUZDIDTESA-N 439.559 5.231 0 40 IKAB Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1 8721522 FKYXIIBKJHQRMT-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB Cc1c(CCC(=O)NCc2ccncc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792040 BYUIQEMMEIOUCZ-UHFFFAOYSA-N 438.483 5.159 0 40 IKAB biogenic CC1(C)C(c2ccccc2)=NN(c2ccc(CNCc3ccccc3)cc2)[C@H]1c1ccccc1 8914041 FBIRIRZWKHNLQS-PMERELPUSA-N 445.610 6.968 0 40 IKAB CCCCc1cc(=O)oc2cc(OC(=O)c3cc(OC)c(OC)c(OC)c3)c(Cl)cc12 9033782 WAUBFKVJIYQEBJ-UHFFFAOYSA-N 446.883 5.034 0 40 IKAB biogenic Cc1cccc2sc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)nc12 9151899 PHWWPPZAYDOFKL-UHFFFAOYSA-N 443.616 5.722 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1ccccc1Cl)c1ccc(Cl)cc1 9187193 OEFLNLYWYCMINU-UHFFFAOYSA-N 426.324 6.488 0 40 IKAB COc1ccc(Cl)cc1Nc1nc2ccc(C(=O)c3ccccc3)cc2n2c(C)nnc12 9224696 JTUGRECOOQRJOU-UHFFFAOYSA-N 443.894 5.223 0 40 IKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@H]3c1ccccc1 9281919 PUFNMLBADQQUSE-XMMPIXPASA-N 440.506 6.539 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3)nnc2-c2ccccc2)cc1 9307299 RFEIZFZOKLHPFQ-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB Cc1ccc(C)c(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 9379799 KDUQOUQTGSJVOE-MHZLTWQESA-N 437.587 5.839 0 40 IKAB c1cncc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)c1 9433860 DQYLFUCOTFKMJI-NRFANRHFSA-N 428.455 5.020 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)no1 9449245 NRDWGFCMZPOHMW-UHFFFAOYSA-N 439.924 5.514 0 40 IKAB C[C@@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(C)C1CCCCC1 9477147 GOYHEVCMOQWBFE-OAHLLOKOSA-N 449.020 5.117 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CCC4)cc1 9540996 KIBOQBBCRCPKQT-UHFFFAOYSA-N 448.617 5.891 0 40 IKAB Cc1cccc(N(CC(=O)Nc2c(C)cccc2C(C)C)S(=O)(=O)c2ccccc2)c1 9601296 VJPKBTGIAOKSOM-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1C 10009810 IEXIGGZFWVWAMT-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB O=C(Cc1cnc(-c2c(Cl)cccc2Cl)s1)NCCc1c[nH]c2ccccc12 12322419 UOUIMXGGHZKCFJ-UHFFFAOYSA-N 430.360 5.500 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc21)c1ccccc1 12375864 IVYKASGWBUWEKN-QHCPKHFHSA-N 426.299 5.001 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc2ccccc2cc1CC1CCCC1 12500126 AAEQAXBWJGROMD-UHFFFAOYSA-N 440.996 6.360 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CCCSc3nnc4[nH]c5ccccc5n34)n2)c1 12590275 BYSZULNZQNXVFA-UHFFFAOYSA-N 444.442 5.004 0 40 IKAB COC[C@@H](C)n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccc(OC(F)F)cc1 12648777 NONKBZPXRKORGX-NAMFZTAQSA-N 430.929 5.973 0 40 IKAB Cc1ccc(C)c(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 12878279 GQZVZGHLHQFVES-UHFFFAOYSA-N 443.041 5.599 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2=O)cc1 12943367 IYNAVYXVJZAODX-UHFFFAOYSA-N 444.318 5.347 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)cc1 13498336 FCJKZLXJFKAJKG-VWLOTQADSA-N 432.589 5.432 0 40 IKAB CCOc1ccccc1-c1noc(CSc2nnc(-c3ccc4c(c3)CCCC4)n2C)n1 13941891 ISGZMETVLSLOPK-UHFFFAOYSA-N 447.564 5.102 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 13955065 VFLUSTQOMUBISC-INIZCTEOSA-N 433.895 5.771 0 40 IKAB Cc1ccccc1OCc1n[nH]c(S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)n1 14070366 ZCHXVXUHTBJUET-GOSISDBHSA-N 444.560 5.478 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)cc(C)c3o2)cc1 14272245 ZWUWWJQPYOXDSX-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(OCc2ccccc2)c1 16751981 JENYCZLYNCBOLH-VWLOTQADSA-N 439.511 5.717 0 40 IKAB COc1ccccc1-c1nn(Cc2ccc(Cl)cc2)c(-c2ccccc2OC)c1Cl 17103137 GSPAGWPMGUHWDV-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1ccc2ccccc2c1 20152267 OTSUXKISGLTDQA-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB Cc1cccc(Cn2c(=O)n(-c3cc(Cl)ccc3C)c(=O)c3sc4ccccc4c32)c1 20354874 DPBNHKDWCWDXDL-UHFFFAOYSA-N 446.959 5.686 0 40 IKAB Cc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2NCc2ccc(F)cc2)cc1 20382490 XWNZYGNAGFXDAE-UHFFFAOYSA-N 440.927 5.781 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(=O)n(Cc3ccc(Cl)cc3)c(=S)[nH]c2c1 20645460 JFXRPMPVIYHOFV-AUUYWEPGSA-N 441.984 5.069 0 40 IKAB COc1ccc(-c2nn(-c3ccc(F)cc3F)c3c2cnc2cc(OC)c(OC)cc23)cc1 21017693 FKMYGFRBRKIODA-UHFFFAOYSA-N 447.441 5.545 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 22275712 DAAHOTPSMBQKJR-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 30270625 NBYMVVWVXGLHAZ-HNNXBMFYSA-N 426.438 5.822 0 40 IKAB Cc1nc(SCc2ccccc2)[nH]c(=O)c1CCC(=O)Nc1ccc(Cl)cc1Cl 32901469 CEIDNOOLDNVGRC-UHFFFAOYSA-N 448.375 5.249 0 40 IKAB C=CCOc1c(Cl)cc([C@@H]2C(C(=O)OCC)=C(C)N=C3SC=CN32)cc1OCC 34705870 MOTHWMARSULHNV-GOSISDBHSA-N 434.945 5.071 0 40 IKAB CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 35288849 BCBHYQTYQYJLQM-UHFFFAOYSA-N 429.549 5.207 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(C)c(F)c3)cc1)=NCC2 35623005 QDCIBIDNQMJPNV-UHFFFAOYSA-N 447.510 5.383 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 38755417 VTHSQHJLZMMSEG-XMMPIXPASA-N 448.994 5.431 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)NCc2ccc(Cl)cc2)nc2ccccc21 41076849 AEZGDHFKXWLRHO-UHFFFAOYSA-N 435.980 5.455 0 40 IKAB Cc1nc(SCc2csc(-c3ccc(C(N)=O)cc3)n2)n(C2CCCCC2)c1C 58406087 PZSJVMDGYGHEGU-UHFFFAOYSA-N 426.611 5.520 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1CSc1nc2ccc(NS(C)(=O)=O)cc2s1 59417587 MRGJBGSRIDHTKL-UHFFFAOYSA-N 434.652 5.874 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 59503057 MLLAFWDZVZCDAY-JLPGSUDCSA-N 445.946 6.561 0 40 IKAB CSc1ccc(-c2noc(-c3nn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1 64949641 VWEOMWZUUFUYOH-UHFFFAOYSA-N 426.501 5.133 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccc(F)cc1 67259278 RZNBUXVVIZYYDR-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB CC(C)(C)c1cc2nc([C@@H]3CCCN(C(=O)c4cccs4)C3)cc(C(F)(F)F)n2n1 72341099 USCVCUPCKJRANK-CYBMUJFWSA-N 436.503 5.127 0 40 IKAB CC[C@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72400795 AZFGEWGBZDEHLC-KXBFYZLASA-N 438.597 5.095 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(CNC(=O)c5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 100328496 PMPBQIRTDPERNY-LYBIEXDWSA-N 428.403 6.570 0 40 IKAB COCCn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(Cl)ccc21 100872499 NIHQNPLAVZMAGK-LCUIJRPUSA-N 436.964 5.262 0 40 IKAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)c1ccccc1 103139087 JPABCNJRZGMTQU-VLGSPTGOSA-N 438.483 5.134 0 40 IKAB CCOc1ccccc1[C@H]1CC2=Nc3ccccc3N[C@@H](c3ccc(OC)cc3)C2=C(O)C1 103890301 PRWUKRXYJYHDLH-VKGTZQKMSA-N 440.543 6.723 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1cc2cccc(OC)c2o1 107941189 GSPAMYYPPOFDHL-UHFFFAOYSA-N 434.348 6.319 0 40 IKAB CN(c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1)S(=O)(=O)c1ccccc1 222529090 RBOQFIFELYXBNR-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 222531756 XTEYNHXLJRTOAM-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB CNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 222760753 LVHWBJIXGRUKQA-INIZCTEOSA-N 449.422 5.387 0 40 IKAB Cc1ccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 223812461 DLABRHUQMJGRJY-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COc1cccc(C)c1 224111106 ZVVVLIDDCLRHMF-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224941755 WKHXLOYSZLYUOZ-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 225640247 MWWDKQSVGRLNEG-KNQAVFIVSA-N 445.003 5.058 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)c2ccccc12 225766354 WABMYHXXVNPKIG-IBGZPJMESA-N 435.995 7.511 0 40 IKAB CC(C)Oc1ccc(NC(=O)C(Cc2ccccc2)(c2ccccc2)c2ccccc2)cc1 225936031 XQLFSZMEJXWWTK-UHFFFAOYSA-N 435.567 6.641 0 40 IKAB CC1(C)Oc2ccc(OCc3ccccc3)cc2[C@H]2O[C@@H](Cc3ccc(F)cc3)CC[C@@H]21 257343536 ZTKDFYPGRNCJPK-NRRYGQPISA-N 432.535 6.655 0 40 IKAB Fc1ccccc1N1CCN(C(=S)c2ccccc2OCc2ccccc2Cl)CC1 408577559 TUAFYQPPNDZFMP-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c(Br)cc1O 409102139 UXLPRJQEADTPLI-XGICHPGQSA-N 428.204 5.065 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F)C1CCCCC1 673944 AMBGVFFJXMZQSY-JSGCOSHPSA-N 446.926 5.663 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)cc1 870482 PQFLQAAGPDTDOO-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(F)cc3)cc2c1 875393 JYCGVJUMDVQUHR-UHFFFAOYSA-N 435.524 5.276 0 40 IKAB CCc1ccc(Oc2coc3cc(OCc4ccc(C(=O)OC)cc4)ccc3c2=O)cc1 957166 PXKDIFVWGICDIS-UHFFFAOYSA-N 430.456 5.513 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1838020 IENKWVXXMRTHSD-CYBMUJFWSA-N 447.387 6.894 0 40 IKAB CC(C)(C)c1cc(OC(=O)c2ccccc2Cl)ccc1OC(=O)c1ccccc1Cl 2065795 KMZINUOCAURXPK-UHFFFAOYSA-N 443.326 6.729 0 40 IKAB Cc1ccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc23)cc1 2078923 HRWMEGNSHAGYMF-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@H]3c3cccs3)sc2c1 2232277 JNXYDKVZIGYUKJ-HXUWFJFHSA-N 444.537 5.831 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(F)cc2)N2NC=NC2=N3)cc1 2255047 UPLPLZCOZIBLIY-ZEQRLZLVSA-N 444.897 5.592 0 40 IKAB Cc1cc(C)cc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)c1 2311723 PNFJAMMIOIIIFI-UHFFFAOYSA-N 439.563 5.393 0 40 IKAB CC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 2399100 SXMIXDBKCKTWKG-UHFFFAOYSA-N 448.331 5.339 0 40 IKAB Cc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2450960 YSKHWQREPBNCCS-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1SCc1ccccc1F 2721730 HBEUAWKYQMOSDS-UHFFFAOYSA-N 443.496 5.745 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)c1ccc(Cl)cc1 3243518 OKTWENJTGXTPFI-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCC(=O)Nc2ccccc2C(F)(F)F)cc1 3311190 JITSZYKWAHTAGV-UHFFFAOYSA-N 441.405 5.040 0 40 IKAB CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(C(C)C)cc4)c(=O)n3n2)cc1 3648983 SZKMFKZHLGDPTQ-JWGURIENSA-N 433.577 5.058 0 40 IKAB CCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655555 DLYDOWSHHKUSSC-UHFFFAOYSA-N 433.891 6.358 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 4218041 JUOLXLZWQSVTCP-UHFFFAOYSA-N 425.623 6.041 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(N2CCCCC2)cc1 8832360 IDQNWJLZCGVOCI-PKNBQFBNSA-N 441.358 6.896 0 40 IKAB Cc1cc(Br)cc2c1N(CCCOc1ccc(C(C)(C)C)cc1)C(=O)C2=O 8834426 WIYZQLCTYUKXJZ-UHFFFAOYSA-N 430.342 5.053 0 40 IKAB Cc1noc(C)c1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 8943960 SIQQLGBMKRVRRL-UHFFFAOYSA-N 448.954 5.389 0 40 IKAB COc1cc(C(=O)Nc2nc(C)cs2)cc(Br)c1OCc1ccccc1 8987992 PNNSHIFDLMTGCC-UHFFFAOYSA-N 433.327 5.054 0 40 IKAB OCCCCn1c(-c2ccc(Cl)cc2)cn2c(-c3ccccc3)c(-c3ccccc3)nc12 9059594 BGQNSTIUSJIVKA-UHFFFAOYSA-N 441.962 6.563 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n12)CC(C)(C)OC3 9076184 TZGNOMXWSRFAAJ-UHFFFAOYSA-N 442.635 5.247 0 40 IKAB CCOc1cc(C(=O)NCc2ccc3[nH]c4c(c3c2)CCCC4)cc(OCC)c1OCC 9382113 SOKOIKYRKXKMBH-UHFFFAOYSA-N 436.552 5.173 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 9664633 LMCLRUPQHDHIFN-UHFFFAOYSA-N 431.926 5.344 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1F 9763360 FIVNHHQUYNDAEV-FYJGNVAPSA-N 436.870 5.151 0 40 IKAB O=C1CCSc2ccc(C(=O)NC[C@@H](c3ccccc3)c3c[nH]c4ccccc34)cc2N1 10691289 CKHYVRQARVNVJJ-FQEVSTJZSA-N 441.556 5.164 0 40 IKAB Cc1cc(C)cc(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667355 NXSLIWNMJNSIRQ-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)Cc3ccccc3F)cc2)on1 12159087 XDMCCWIPILSPHO-UHFFFAOYSA-N 444.510 5.228 0 40 IKAB C[C@@H](Sc1nn(-c2ccc(F)cc2)c(=S)s1)C(=O)Nc1cccc2ccccc12 12592985 WMJOHMZQOYEHEA-CYBMUJFWSA-N 441.578 6.075 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc(Cl)c1OC 12774421 YLRNMYCGSVPAJG-FVNWOWOISA-N 428.941 5.344 0 40 IKAB CC(C)(CNC(=O)c1ccc(Cl)c(Cl)c1)SCc1cccc(C(F)(F)F)c1 12856119 JQZQWOGPWJIGAM-UHFFFAOYSA-N 436.326 6.454 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)c1cccc(N2CCCC2=O)c1 12975792 ZLPLUDMZKSFLTL-UHFFFAOYSA-N 439.540 5.399 0 40 IKAB Cc1ccc(-c2nnc(SCCCn3c(=O)[nH]c4ccccc43)c3ccccc23)cc1 13133843 FKDWVVDYAPSZGO-UHFFFAOYSA-N 426.545 5.431 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)CCCN1C(=O)c2ccccc2C1=O 13717326 VXWVAPSTUHYHRM-UHFFFAOYSA-N 444.556 5.302 0 40 IKAB Cc1cccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2ccccc2)c1 13776089 VDSDXJKMIRMUBJ-XMMPIXPASA-N 440.506 6.539 0 40 IKAB Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 14076452 CFOHNINPAUANFL-UHFFFAOYSA-N 428.410 5.076 0 40 IKAB Cc1ccc(-c2csc3[nH]c(CN[C@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 14092801 HDPRZXNKZQAVEG-OAHLLOKOSA-N 435.618 5.751 0 40 IKAB FC(F)(F)[C@@H]1CCCN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)C1 14206690 WPWMKVFRPUZUEL-GOSISDBHSA-N 432.515 5.226 0 40 IKAB CC(C)(C)[C@H]1C/C(=C\c2cccc(C(F)(F)F)c2)c2nc3ccccc3c(C(=O)O)c2C1 15979512 GSYVXLXHPINWNI-FYXHJSOBSA-N 439.477 7.101 0 40 IKAB COc1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1Br 16226701 MLROLGZURQYNBG-UHFFFAOYSA-N 441.350 5.252 0 40 IKAB O=C(Nc1nc2ccccc2[nH]1)c1cc2cc(Cc3ccccc3Cl)ccc2oc1=O 16450185 MDMKUJYDZDAGJI-UHFFFAOYSA-N 429.863 5.166 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2ccc3c(c2)OCO3)cc1 16525983 HCLKBADWQDTYCJ-UHFFFAOYSA-N 431.919 6.091 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)cc1C 16846459 IOACYXIBTQNTQM-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1 17099383 OGNHTYCDKFRNAY-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 17101083 DDSMFEUOKFWJQO-ZRDIBKRKSA-N 437.282 5.446 0 40 IKAB Fc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200429 PPARDVRLBQPJAE-UHFFFAOYSA-N 428.515 6.001 0 40 IKAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1 18026545 LJVPQOXBRSSMDU-KRWDZBQOSA-N 426.513 5.143 0 40 IKAB Cc1cccc(N2CCN(C(=O)CC34C[C@@H]5C[C@@H](CC(Br)(C5)C3)C4)CC2)c1C 18256056 HAPGNJBSQDTHAF-TUUBTQOTSA-N 445.445 5.076 0 40 IKAB Cc1cc(Oc2ccc(NC(=O)[C@H](C)n3ccnc3C(C)C)cc2)cc(C2CCNCC2)n1 19570437 KEUDWUGEDZTIGL-IBGZPJMESA-N 447.583 5.169 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19642563 ABQSXTVBXWWXCM-UHFFFAOYSA-N 444.943 7.031 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(C)c(C)c2)cc1 19947012 JJYOKUSRSWEPDA-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 20110653 VOKBMHGWGMXTRB-UHFFFAOYSA-N 446.981 5.256 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3Cl)c(Cl)c2)cc1 20110965 VMDQVYOOBFJKJW-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 20140274 OUCQZYGHSUAWNF-UHFFFAOYSA-N 441.405 6.278 0 40 IKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1ccc(F)cc1Cl)c1ccccn1 20746146 DCJJXZRJTYMYIC-UHFFFAOYSA-N 440.927 5.540 0 40 IKAB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc2c(c1)OCO2 20882546 LBFKGZGDTMRTFY-ZDUSSCGKSA-N 435.530 5.206 0 40 IKAB CC(=O)N(c1nc(COC(=O)/C=C/c2ccc(C)s2)cs1)c1ccc(C)cc1C 21465429 PIWRYTCZNWBGAQ-CSKARUKUSA-N 426.563 5.571 0 40 IKAB COc1c(C(=O)Nc2c(Cl)ccc3nsnc23)cc2ccccc2c1Br 21595387 IWPAXHYJWSHJAH-UHFFFAOYSA-N 448.729 5.521 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)OC(=O)c1csc(NCc2ccccc2)n1 22375421 SZAFXSDODIEQBD-IRXDYDNUSA-N 437.565 5.453 0 40 IKAB COc1c(N)cc(-c2nc3cc(C)c(C)c(Br)c3o2)cc1Br 26509195 HQTGZDWTFAILGG-UHFFFAOYSA-N 426.108 5.227 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1)c1ccco1 29280197 GIIGSPPNWBUWTM-HSZRJFAPSA-N 428.513 5.381 0 40 IKAB Nc1c(-c2nc3ccccc3[nH]2)c2ccccn2c1C(=O)c1cccc(Br)c1 31848420 XAERAKWJZYHDDV-UHFFFAOYSA-N 431.293 5.058 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 32116651 ZIVOICKCLKNXHH-UHFFFAOYSA-N 442.559 7.323 0 40 IKAB O=C(Nc1ccccn1)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36357966 HCBFXSGCIPXLRV-QHCPKHFHSA-N 429.495 5.306 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccco3)[C@H]2c2cccc(Br)c2)cc1 40485997 BYTPKLDNUZYFDP-FQEVSTJZSA-N 440.293 5.104 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2CCN(Cc3ccccc3Cl)CC2)ccc1Cl 44939640 VOIIRIVDTZZZCB-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB C[C@@H](Sc1ncc(-c2cccc(Br)c2)o1)C(=O)NCc1ccc(F)cc1 45943405 GZZHVCYKIZCODI-GFCCVEGCSA-N 435.318 5.040 0 40 IKAB C[C@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1F 57452443 UALUEOHVMCIOCF-ORAYPTAESA-N 433.346 5.356 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCCSCc2ccccc2)cc1C 65478595 NEWYUAOVYCNXST-UHFFFAOYSA-N 441.600 5.819 0 40 IKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 71288425 CYHSNYICSNZZRB-MHECFPHRSA-N 447.579 5.325 0 40 IKAB Cc1cc2nc(C3CCN(C(=O)c4cc5c(s4)CCCC5)CC3)cc(C(F)(F)F)n2n1 72340857 IHGYSQVTWLXJEE-UHFFFAOYSA-N 448.514 5.017 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)sc3ccccc23)C1 72352637 DXRDAYWKYHSJQN-IBGZPJMESA-N 445.588 5.265 0 40 IKAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)no1 89600930 KDVFYNMKHHQQOD-ZDUSSCGKSA-N 438.336 5.239 0 40 IKAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCc4c3[nH]c3ccccc43)cs2)cc1OC 96223477 MQRABQZGSFDYEE-HXUWFJFHSA-N 447.560 5.045 0 40 IKAB COc1ccc(C(=O)N2C(=O)N(c3cc(C)cc(C)c3)[C@@]3(C)C[C@H]2c2ccccc2O3)cc1 100034174 NVKBDUMELZNZFV-WNCULLNHSA-N 442.515 5.634 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccnc1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102722597 MQGPCBFYKQYAIN-IBVKSMDESA-N 448.526 5.889 0 40 IKAB CCOc1ccccc1[C@H]1C=C(c2ccc(Cl)cc2)Nc2nc(-c3ccccc3)nn21 102875532 QLDHWJYEIRVHRF-JOCHJYFZSA-N 428.923 6.053 0 40 IKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 106700200 DVHCXAVULWGRRZ-RZNTYIFUSA-N 449.142 6.242 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2C)cc1OCc1ccccc1 107867175 RNIGWJQAWPJDHI-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(C(F)(F)F)nc1 208005480 VERWCIGEWZMUQM-UHFFFAOYSA-N 441.438 5.615 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3ccccc3Br)C2=O)cccc1OC 214995900 DWNLLDOLCXWSRJ-GZTJUZNOSA-N 448.338 5.093 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215188366 KYQJSKBOPNCDSD-CIAFOILYSA-N 441.911 6.268 0 40 IKAB COc1ccc(CCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OC 219846439 YOXSZRORYPNOJY-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)ccc1Cl 222844458 NCRGROVZQKSOGI-ZWKOTPCHSA-N 436.939 5.545 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223854573 FSBIFRKAKXXNNH-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)cc1C 224262884 CSYDCAXSOHNUJG-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)c(OC)c1 224314836 FTDDFHWTBLPCMH-UHFFFAOYSA-N 443.499 5.697 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccc(C)c(C)c3)c2)cc1 224340139 GNEGEGCXVMKLNN-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)S(=O)(=O)c1ccc(C)cc1 224454396 JBNXPMBALKTMOT-UHFFFAOYSA-N 442.968 5.112 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 224628144 UCQKOCJZLIFMCH-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)COc1cccc2ccccc12 224668406 VTOLRHJRUWAUPI-OAQYLSRUSA-N 444.575 5.085 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224844120 NIXIMCZISRIKHA-GOSISDBHSA-N 444.978 5.278 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1 225554066 QASPORCHIMXLKE-UHFFFAOYSA-N 443.031 6.291 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1 225628189 GWLYGOWOXFHEGV-QGZVFWFLSA-N 449.422 5.430 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 225690545 IKBCXVNFDKILLL-FQEVSTJZSA-N 426.576 5.071 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 225701283 AHKLSYCRGKXYAO-UHFFFAOYSA-N 445.312 5.541 0 40 IKAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)n1 225991120 JSYWSPUZVQVFOF-UHFFFAOYSA-N 441.620 5.103 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccccn5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242688058 VEFILIWPFIZDGV-KRIIFKCCSA-N 439.684 6.175 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@]4(O)[C@@H](C)OC(C)=O)[C@@H]3CC[C@]2(C)C1 253617578 WPHICUIXBCASRI-QKAYYMFGSA-N 434.617 5.034 0 40 IKAB O=C(c1ccccc1CN1CCCCC1)N1[C@H]2CC[C@H]1CC(Cc1ccc3cc[nH]c3n1)C2 257211504 BZCAXRKJFSWCLK-DQEYMECFSA-N 442.607 5.175 0 40 IKAB CCN(CC)C(=O)c1cnc(C(C)C)nc1[C@H]1CC[C@H](CNC(=O)CC2CCCC2)CC1 257257767 KQZLKBYFISFSCW-MEMLXQNLSA-N 442.648 5.052 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cncc3ccccc23)C1 257287817 PRQDZUUQVHTNDH-JOCHJYFZSA-N 436.555 5.084 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1NC(=O)c1ccc(Cl)cc1 408549973 ADOPYDHQOBVRMM-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1nnc(S/C(=C\c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)O)o1 408632094 SNNYAKGAZYJAPP-QRVIBDJDSA-N 441.512 5.752 0 40 IKAB O=C(O)/C(=C/c1cc(Br)c(Br)o1)Sc1nc2ccccc2o1 408633930 NSGRHCNKHDFGSW-WDZFZDKYSA-N 445.088 5.164 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)c(Cl)c3)C(=O)[C@H]2C1 408683338 MQPUAWNQMYUNRD-HOCLYGCPSA-N 429.303 5.091 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)c(C)c1 408694837 MQTHSIKAXXPAJX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408698199 MCIYCYOGHZPRQU-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1ccccc1 408698630 OXBFCFJDSHZJLB-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4ccc(Br)cc4)C(=O)O3)sc2c1 408849236 ZFCFZASOOGIDAR-NTEUORMPSA-N 432.726 5.970 0 40 IKAB COc1ccc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)cc1 408972275 OSCHHYBDZSHWSC-LCYFTJDESA-N 434.300 5.570 0 40 IKAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc(Cl)cc1 409098127 ILOBDCDGSYGWMI-UCQKPKSFSA-N 437.948 6.403 0 40 IKAB O=C1/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)c2ccccc2N1c1ccccc1 409207583 XZBFTBHDRZYIRA-HMMYKYKNSA-N 432.306 7.472 0 40 IKAB Cc1ccc(-n2c3ccc(Br)cc3c3cc(Br)ccc32)c(C)c1 1542033353 COGSJUPRJUPYDR-UHFFFAOYSA-N 429.155 6.926 0 40 IKAB CCCn1c(-c2ccc(OC)c(OC)c2)nc2cc(C(=O)Nc3ccc(OC)cc3)ccc21 2049251924 RUNBKBZLQIOJGZ-UHFFFAOYSA-N 445.519 5.391 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(COc2cc(Cl)ccc2Cl)o1 669480 JWCUISIYGLTBHM-UHFFFAOYSA-N 430.209 6.437 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccc(OC)cc2)C(C)=C(C(=O)OCC)C1c1ccc(C)cc1 686976 KLYVFNWHAJMADR-UHFFFAOYSA-N 449.547 5.282 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 883161 DUYLPNUQWXLTNX-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(-c2ccc(O)cc2)n1Cc1ccco1 915759 WYLHZBUSOJSYHR-KRWDZBQOSA-N 448.548 5.028 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc2ccccc2c1=O 1225050 HVRVTBOXNLPZTA-UHFFFAOYSA-N 445.569 5.338 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 1266847 VEYOFMSVMANQBW-JXMROGBWSA-N 439.302 5.388 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332713 RWCAIJVUNUNTTQ-UHFFFAOYSA-N 425.579 5.187 0 40 IKAB Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N(Cc2ccccc2)Cc2cccs2)cc1 1338670 ODKNWYDOULMRDG-QHCPKHFHSA-N 431.609 5.590 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1371290 WZHWQNLEBUTQHF-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB O=C(CSc1nnc(C2C3CC4CC(C3)CC2C4)n1-c1ccccc1)c1ccc(F)cc1 1468048 VAXXJMOYZQRQPV-UHFFFAOYSA-N 447.579 5.921 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCCOc2ccccc2)cc1 1797117 GKIADBYCDGWSFA-UHFFFAOYSA-N 431.410 5.424 0 40 IKAB O=C1C(Nc2ccc(Cl)cc2)=C[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 2061309 ZUGXWFAYRFRZOC-NRFANRHFSA-N 429.734 6.731 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(Cl)cc1 2065926 KSIQCDSSWXJOLB-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB CCc1ccc(-n2c(N)c(C(=O)N[C@@H](C)c3ccccc3)c3nc4ccccc4nc32)cc1 2300762 JVCHKNMGWIJWKB-KRWDZBQOSA-N 435.531 5.209 0 40 IKAB CC1CCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)CC1 2398387 LXXXKNYGCYSWDV-UHFFFAOYSA-N 432.998 5.551 0 40 IKAB CCn1c(CSCc2c(Cl)cccc2Cl)nnc1SCc1ccc(F)cc1 3134847 UJASIAVPEAEQEJ-UHFFFAOYSA-N 442.412 6.470 0 40 IKAB Fc1ccc(-n2c(-c3ccccc3)nn(CN3CCc4ccccc4C3)c2=S)c(F)c1 3223155 OXQOPUAEZWJYSR-UHFFFAOYSA-N 434.515 5.364 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(SC(F)F)cc3)c2n1 3316393 VNHZGARKIRPRRF-UHFFFAOYSA-N 443.302 6.182 0 40 IKAB CC(C)Cc1ccc([C@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3336744 UZOPGBATXQGZCK-HFZDXXHNSA-N 428.576 5.624 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3nc(SCc4ccc(C(C)(C)C)cc4)sc3c2)c1 3664877 DJZMPYWFZHGVQE-UHFFFAOYSA-N 446.641 7.447 0 40 IKAB O=c1/c(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)sc2nc3ccccc3n12 6446991 UYTHZNOJKFMMRH-PCLIKHOPSA-N 434.520 5.189 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3[C@@H](C)c3ccccc3)CC2=O)cc1 6753175 AVWMXUJDFQVROP-PZJWPPBQSA-N 425.532 5.565 0 40 IKAB Cc1ccc(S(=O)(=O)N(C(=O)c2ccccc2)c2ccc3oc4c(c3c2)CCCC4)cc1 8439118 LCWIHIPJEVSMAY-UHFFFAOYSA-N 445.540 5.656 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8828179 RIEJBLMRAIQBMU-GOSISDBHSA-N 431.923 5.267 0 40 IKAB Cc1cccc(Cn2c([C@H]3CC(=O)N(c4cccc(C(F)(F)F)c4)C3)nc3ccccc32)c1 8828278 UZEIDXGFGJBQJE-IBGZPJMESA-N 449.476 5.932 0 40 IKAB Cc1cc(C)c2c(-n3cccc3)c(NC(=O)Nc3ccc(Br)cc3)sc2n1 8857362 RRECBZXDZDXQBN-UHFFFAOYSA-N 441.354 6.110 0 40 IKAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Sc4ccccc4)cc3)=NN12 9044412 RYFKASGSSBNVOZ-RUZDIDTESA-N 441.600 5.803 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)c1 9159537 KVZUUEYMXDWVHI-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB CCc1ccc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2c1 9540761 UKJBSUUGKJDNCD-UHFFFAOYSA-N 443.572 5.613 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc3c(c2)nc(C)n3-c2ccccc2)c(C)c1 9632169 VDBQKONRLZJQQH-UHFFFAOYSA-N 427.504 5.055 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120457 UYHAFUHGKRQEQY-UHFFFAOYSA-N 442.559 6.239 0 40 IKAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc1 10218501 PJUCLVLBVYZGOW-UHFFFAOYSA-N 440.999 5.026 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1C 10246417 HYOAZSVYSYLXRJ-UHFFFAOYSA-N 426.516 6.263 0 40 IKAB COc1ccc(-c2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1OC 11866299 YRVSTWWDXLYSCS-UHFFFAOYSA-N 440.854 5.849 0 40 IKAB biogenic CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1 12555152 PCCIVZOMRFDMLE-OZXSUGGESA-N 432.589 6.950 0 40 IKAB COc1ccc([C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1OCc1ccccc1 12572849 HZPZYAYYTJDLDS-HHHXNRCGSA-N 433.511 6.263 0 40 IKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)c1 12818555 XRLVRBYWKWTZHL-LJQANCHMSA-N 428.561 5.369 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)Cc1cccs1 13498281 PGOJXKYYFSMIPC-HSZRJFAPSA-N 438.618 5.181 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1ccc(NC(=S)Nc2ccccc2)cc1 13579166 IIOAHCKQGJYWKY-ZWKOTPCHSA-N 447.629 5.954 0 40 IKAB Cc1ccc(-c2nn(Cc3cccc(C)c3)c(-c3ccc(C)cc3)c2Br)cc1 13960569 IIPNSNBIUSHLOS-UHFFFAOYSA-N 431.377 6.953 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1sccc1-c1ccc(C)cc1 14635126 BLNDYJZKGHPRKE-UHFFFAOYSA-N 446.494 5.843 0 40 IKAB O=C(c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1)N1CCCCC1 15141735 HDFIRTZJBMLFOR-UHFFFAOYSA-N 428.561 5.597 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c1 15974852 ZRLQXEYSYMXJIR-QGZVFWFLSA-N 448.589 5.029 0 40 IKAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Br)cc1 16477265 NPZVVFHZLFFBBW-DEOSSOPVSA-N 449.392 5.585 0 40 IKAB O[C@@]1(C(F)(F)F)[C@@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957563 JEOQAKYOQCNWOA-DNVCBOLYSA-N 435.858 5.111 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)cc1 17097950 LPZNOGKGHHKNKW-INIZCTEOSA-N 432.499 5.399 0 40 IKAB CCOc1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)sc2c1 17194745 QSMRKUNELKBTHK-UHFFFAOYSA-N 433.316 6.514 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)c1 17207937 GXVJJTWVMDFDRJ-UHFFFAOYSA-N 432.549 5.606 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373331 LCZNGMYTIOQZLF-FQEVSTJZSA-N 439.563 5.345 0 40 IKAB COc1cccc2ccc(CN3CCC[C@H]3c3nnc(-c4nccc5ccccc45)o3)nc12 19568461 VEXOJGXLKWIWJI-NRFANRHFSA-N 437.503 5.179 0 40 IKAB CCN(C(=O)c1ccc2c(c1)CCCC2)[C@H]1CCO[C@@H](c2ccc(-c3cncnc3)cc2)C1 19711976 STKMVUFOXVTUQB-RRPNLBNLSA-N 441.575 5.405 0 40 IKAB Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3Cc3cn(C)c4ccc(F)cc34)ccc12 19742436 BQTGMLDEOKJJMJ-DEOSSOPVSA-N 440.526 5.092 0 40 IKAB COc1c(C)cccc1CN1CCCC[C@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765056 CYXROQIVXVZGIP-QHCPKHFHSA-N 448.542 5.221 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H](C)Sc4ccc(Cl)cc4)cc3)sc2c1 20238569 RXBNSCLNTIBFOX-HNNXBMFYSA-N 439.005 7.044 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1cccc(OCc2ccccc2Cl)c1 22258622 JHJXZWANZNCEFW-UHFFFAOYSA-N 436.939 5.700 0 40 IKAB Cc1ccc(-n2c(C)nc3ccc(NC(=O)c4ccc(C(F)(F)F)cc4)cc3c2=O)cc1 23143774 RXNKEMJDXHYPCJ-UHFFFAOYSA-N 437.421 5.274 0 40 IKAB C[C@@H]1CCC[C@@H](Nc2nc(CN3CCOCC3)nc3scc(-c4ccccc4)c23)[C@@H]1C 25397549 IYHXKSRTJBSOST-DBXWQHBBSA-N 436.625 5.427 0 40 IKAB O=C(Nc1ccc(OC(F)F)cc1)c1ccccc1SCc1cn2ccccc2n1 28278409 RIJCAEGWHCYCJR-UHFFFAOYSA-N 425.460 5.480 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 30754566 BXUSIGSAICLOPU-NRFANRHFSA-N 442.968 5.330 0 40 IKAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1sc2nc(C(F)(F)F)ccc2c1C 32809335 AAOPDIFBZURESU-UHFFFAOYSA-N 438.471 5.303 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 33662752 YEVNHHCCGCTLFF-UHFFFAOYSA-N 432.564 5.949 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 34718379 PKVYDOMKIPLBOC-UHFFFAOYSA-N 449.765 7.149 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccccc2Br)cc1OCc1ccccc1 34878857 VZKXMRCKSXRMBE-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(C)c(Cl)c3)OC2=O)ccc1OCc1ccccc1 35124161 IJIJQOFOMZCMDR-XKZIYDEJSA-N 447.918 5.971 0 40 IKAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)c(Cl)c1 38198523 HPBVIVPDISVAEM-HWKANZROSA-N 432.097 5.441 0 40 IKAB COc1ccc(-c2csc(C(=O)Nc3ccc(OC)cc3OC)c2-n2cccc2)cc1 38654670 IRPOLIGULLYAPS-UHFFFAOYSA-N 434.517 5.484 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCN(Cc2ccccc2Cl)C1 38850546 BZCTXVUBCYKPKD-AWEZNQCLSA-N 431.285 5.863 0 40 IKAB CC(C)C(=O)Nc1ccccc1SCc1cc(=O)n2nc(C3CCCCC3)sc2n1 41076605 OPJZILZTUOPJRE-UHFFFAOYSA-N 442.610 5.086 0 40 IKAB CC[C@@H](C)c1ccccc1OCCOc1ccccc1/C=C1/N=C(c2ccco2)OC1=O 41078057 ORBUMRQOXSZHES-DTBMRADHSA-N 431.488 5.595 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078797 ZJYGIEABNRDQQB-UHFFFAOYSA-N 434.923 5.584 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccc(Br)o3)[C@H](c3cccc(C)c3)C2)cc1 89669344 UGNXARGGKRRVOU-IBGZPJMESA-N 439.309 5.351 0 40 IKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@H]1c1cccc(Br)c1 97104887 ZBVKFUVCKYBTNI-NSFRLNINSA-N 431.333 5.840 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OCC 106718887 DAFOEJVNAUFNOK-JLPGSUDCSA-N 447.556 6.264 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1c(F)cccc1Cl 215114414 AJKVAOZOVQYUCL-VXLYETTFSA-N 448.302 6.629 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Br)cc3)o2)cc1C 216026760 DJOMNXBBXQJCHO-UHFFFAOYSA-N 433.327 5.003 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2ccccc2)c(Br)c1 218879456 SPNRVHHJVLPKCY-UHFFFAOYSA-N 436.415 5.175 0 40 IKAB CC[Si](CC)(CC)c1c(Cl)cc(I)c(C(=O)O)c1Cl 219799571 LQSCHXOORUDACT-UHFFFAOYSA-N 431.173 5.012 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C1CCCCC1 223088510 FQFIJRPYBPTVJQ-BJKOFHAPSA-N 432.593 5.186 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224193441 BQQFQCQCZVWCER-AREMUKBSSA-N 442.603 5.092 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224410292 BWIIXZSNTGBEJG-YADHBBJMSA-N 449.942 5.237 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)c1 224550179 ILTFJHUYIBNGPO-RPWUZVMVSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)cc2C)cc1CSc1ccc(Cl)cc1 224671610 NTPBQRLFTZCCFB-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225224239 RXGRLUQSZIBMCM-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225491574 NEIFMNJYVREZIU-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 225546471 HNUAOBKMWHMHIT-BWKNWUBXSA-N 446.591 5.249 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)c(C)c1 225769281 PPAPJRXZEQAMSZ-SANMLTNESA-N 443.616 5.815 0 40 IKAB Cc1cc(C)cc(C2(C(=O)N3CCC[C@H](Cc4ccc5cc[nH]c5n4)CC3)CCOCC2)c1 257233146 GOAJHTCXESGUML-QFIPXVFZSA-N 445.607 5.099 0 40 IKAB COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 257270639 MVBCBNDQSMJMHP-NRFANRHFSA-N 438.531 5.320 0 40 IKAB COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 257270640 MVBCBNDQSMJMHP-OAQYLSRUSA-N 438.531 5.320 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2ccc(C(=O)NCCc3ccccc3)cc2[C@@H]2O[C@H](C)CC[C@H]21 257300564 RUVGBDGEEFKJJO-ZBVSXEMDSA-N 447.619 6.413 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ncc(Cc3cccc(Cl)c3)o2)C1 257314906 UZCDLBNIQYHVBE-LJQANCHMSA-N 431.923 5.487 0 40 IKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1ccc(Br)cc1 408560747 FAFLIOWSLZAIMH-LNVKXUELSA-N 429.383 5.665 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679375 WFVNNWRUOARYSE-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2cc(Cl)ccc2C)c1 408696210 XTAOLMYJVFAJHG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)c1 408699175 RUIBGANWGYMMFR-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB O=C(CSCc1ccccc1Br)N(Cc1ccccc1)Cc1ccccc1 408781964 UPVKGDLKZGRJND-UHFFFAOYSA-N 440.406 5.911 0 40 IKAB O=C(O)c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)cc1Cl 409004250 XBARCLPHHSMLFQ-UHFFFAOYSA-N 440.908 5.944 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)cc2)c1 409086156 FZJCPIRQOWHPDL-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB CN(C(=O)c1cccc(C(=O)Nc2cc(Br)ccc2F)c1)c1ccccc1 518925742 CLUILZWEPHGVLF-UHFFFAOYSA-N 427.273 5.117 0 40 IKAB O=C(c1ccc(F)cc1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 585262906 OXZXLMFEQWGJET-KRWDZBQOSA-N 434.902 5.209 0 40 IKAB O=C(Cn1ccnc1)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643568685 CTNKPCLICOMZFT-UHFFFAOYSA-N 430.596 5.273 0 40 IKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(C(=O)NCCC(C)C)ccc21 643572736 GYJNVUGYKBNJBX-UHFFFAOYSA-N 429.649 5.238 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 884500 CXSVLCYXRKGNOX-UHFFFAOYSA-N 425.623 5.107 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2)cc1 892441 DUQCXIQJQZZBEO-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB CCn1c(S[C@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 976316 AOYSFQOMUDJRNG-GOSISDBHSA-N 429.549 5.206 0 40 IKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2cccc(Cl)c2Cl)o1 1268153 WHSIQUMANGVYRU-UHFFFAOYSA-N 449.403 5.682 0 40 IKAB CCN(CC)c1ccc2cc(C(N)=O)/c(=N/c3cc(C(F)(F)F)ccc3Cl)oc2c1 1514161 MWPOQNHIVGPCRP-OOAXWGSJSA-N 437.849 5.283 0 40 IKAB O=S(=O)(Nc1cc2c3c(oc2c2ccccc12)CCCC3)c1ccc2ccccc2c1 2184789 ZVIOPFPWHPKWNY-UHFFFAOYSA-N 427.525 6.419 0 40 IKAB COC(=O)c1ccc(Oc2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 2269603 MKIHHZQRFUICAB-UHFFFAOYSA-N 425.271 6.183 0 40 IKAB Clc1ccc2c(c1)N[C@@]1(c3ccccc3)c3ccc(Cl)cc3N[C@@]21c1ccccc1 2293650 RZWIURJMIWZPHK-UIOOFZCWSA-N 429.350 7.032 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nncs1)C3=O 2377804 VRWAZTHOSRSSMK-MRXNPFEDSA-N 444.299 5.010 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)Nc4nccs4)ncnc3c2c2c1CCC2 2425911 MSTFDQGULPCFOM-UHFFFAOYSA-N 441.607 5.039 0 40 IKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2c(Cl)cc(Br)cc12 2581713 XYRMCTZLAUDEMX-UHFFFAOYSA-N 428.507 5.947 0 40 IKAB biogenic CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccncc2)n1-c1ccccc1C 2618557 AUZUSSYMRAZWJN-UHFFFAOYSA-N 444.560 5.531 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 2733395 DKNVYVBFUKTCGJ-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCOc1ccccc1C(=O)NC(Nc1ccc(Cl)cc1)(C(F)(F)F)C(F)(F)F 3103653 ICIKEFWTYWIKCZ-UHFFFAOYSA-N 440.771 5.402 0 40 IKAB CCN(CC)c1ccc(C(=O)NC(=S)Nc2nc(-c3cc(C)ccc3C)cs2)cc1 3188293 YINUGIJJTFEOBB-UHFFFAOYSA-N 438.622 5.400 0 40 IKAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1 3247157 YPTAKMHFGJOKPI-SRZZPIQSSA-N 442.273 6.056 0 40 IKAB COc1ccc(CCn2c(C)cc(C(=O)COc3ccc4c(C)cc(=O)oc4c3)c2C)cc1 3312311 DBRWKQBJCXDSSW-UHFFFAOYSA-N 445.515 5.033 0 40 IKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)NC1CCCCCC1 3645077 OMLBQKBIYQPWOA-UHFFFAOYSA-N 435.515 5.192 0 40 IKAB Cc1cc(N2CCCC2=O)c(NC(=O)C2CCCCC2)cc1NC(=O)C1CCCCC1 4520568 VRDDPQXYDTZXKB-UHFFFAOYSA-N 425.573 5.159 0 40 IKAB CC(C)[C@@H](CCNC(=O)C[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 5398437 LFWUOLPEABZMPN-BWKNWUBXSA-N 432.004 6.096 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1cccnc1 6139777 DGWMUNHYXKZTKF-XMMPIXPASA-N 428.513 7.084 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 7978288 PPTAQMAZAYQVIF-IBGZPJMESA-N 425.532 5.701 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1cccc(Br)c1 8427368 ASJZCGVGFHFWFW-NRFANRHFSA-N 441.756 6.467 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H](c1ccccc1)N2 8430024 LSEFRFXCYUDJGN-ZWQVRTGJSA-N 428.963 6.889 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccccc12 8445942 BSDXHCZYSGTJLE-UHFFFAOYSA-N 435.936 5.690 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccs2)cc1 8590753 HHXYDRXUGUMNEW-HSZRJFAPSA-N 431.517 5.295 0 40 IKAB aggregator Cc1ccc2sc(-c3ccc(NC(=O)[C@H]4CCCN4C(=O)c4cccs4)cc3)nc2c1 8816053 SSZGUOJBZBTMDG-LJQANCHMSA-N 447.585 5.577 0 40 IKAB C[C@H](NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C12CC3CC(CC(C3)C1)C2 8832394 ASBDLHPLSMRWAJ-IPVZLSRLSA-N 444.402 6.988 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1Cl 8832398 USBFBITXCYYWJS-QRYOHXEKSA-N 444.830 6.364 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccco2)cc1 8868779 MEYHYIWOLOSZIJ-QHCPKHFHSA-N 429.472 5.310 0 40 IKAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCCC 9195047 GALRXRSZWMABTQ-UHFFFAOYSA-N 437.540 5.864 0 40 IKAB O=C1c2[nH]nc(-c3ccc(F)cc3)c2[C@@H](c2ccc(Cl)cc2Cl)N1c1ccccc1 9243136 YHTKLMXDKSCDNA-JOCHJYFZSA-N 438.289 6.272 0 40 IKAB O=C(NCCc1nnc(SCc2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 9264902 VKYSOQVAJXIGAJ-UHFFFAOYSA-N 448.979 5.186 0 40 IKAB Cc1ccc2nc(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc(=O)n2c1 9284195 DBPXKQPUHWRVLI-UHFFFAOYSA-N 425.513 5.617 0 40 IKAB O=C(O)CN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 9289237 JZOARUYNCLDWCU-MHZLTWQESA-N 432.479 5.618 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccc(C)cc2)cc1 9309171 JSXSFHRGRIEHIJ-UHFFFAOYSA-N 449.963 5.880 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cc(C)ccc1C 9427607 PEOZCEKLVGWEHI-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB COc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)cc1 9509077 GTCIOJPIVBRGCP-QGZVFWFLSA-N 430.533 5.062 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1 9666413 ACSHZHSLJJXRSE-OAQYLSRUSA-N 427.859 5.333 0 40 IKAB Cc1ccccc1-c1nc2cc(NC(=O)c3ccc(OCc4ccccc4)cc3)ccc2o1 9860930 HBTUKMFTECQLKU-UHFFFAOYSA-N 434.495 6.635 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1oc2ccccc2c1COc1ccccc1 9897797 STJCMDPYASVNMM-UHFFFAOYSA-N 426.472 5.613 0 40 IKAB Clc1ccc(Cn2cc(CNCc3ccccc3Cl)c3ccccc32)c(Cl)c1 10315511 QDHSAQWBGBXFOW-UHFFFAOYSA-N 429.778 6.940 0 40 IKAB Cc1cc(NC(=O)c2cc3c(C)nn(Cc4ccccc4)c3s2)ccc1N1CCCC1=O 11678190 RPOLZKOFKWJDAM-UHFFFAOYSA-N 444.560 5.142 0 40 IKAB CC1(C)Oc2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2N(Cc2ccccc2)C1=O 12876096 VUHMHSLOLLJTIE-UHFFFAOYSA-N 426.516 5.132 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCSc5ccccc54)cc3)o2)cc1 12946051 SCUVLPNJQCJOJT-NRFANRHFSA-N 427.529 5.679 0 40 IKAB O=S(=O)(c1cc(C(F)(F)F)ccc1Cl)N1CCC[C@@H]1c1nc2ccccc2s1 12992535 SAEYECWSZQHEOY-CQSZACIVSA-N 446.903 5.494 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc(NC(=O)C(C)(C)C)cc1 13012987 YXFZNJPDGHXQJJ-UHFFFAOYSA-N 437.565 5.821 0 40 IKAB Cc1ccccc1OCc1n(CC(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)c2ccccc2[n+]1C 13305179 OHZBSGJYECCCNY-HXAGEGRHSA-N 449.615 5.357 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(Cl)c(Cl)c2)n2c(nc3ccccc32)N1 13634913 UMJWCGIUTWJVPU-FQEVSTJZSA-N 430.335 5.975 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2c(Cl)c(-c3nc(-c4ccccc4)no3)nn12 13643108 YZKFRPPKMRSUCH-UHFFFAOYSA-N 447.829 5.847 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl 13870828 FBXQASHWCBNLMM-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)OCc3nnc(-c4ccccc4)o3)cccc2c1=O 14076304 USLBKIZDLQWTEQ-UHFFFAOYSA-N 438.439 5.175 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(N3CCOCC3)cc2)c1Cl 14273138 JMCDRUTWEHATHS-UHFFFAOYSA-N 443.758 5.118 0 40 IKAB O=C1C[C@@H](c2ccc(OCc3ccccc3F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085152 ZXNUVAGMFKFYEO-FQEVSTJZSA-N 428.467 5.346 0 40 IKAB C[C@@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O 15277091 IKBYXAGYPKOQAO-FPTDNZKUSA-N 430.356 6.953 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 15880245 BTDWBLWAGKTPCL-UHFFFAOYSA-N 429.998 5.086 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O 16195029 ZAPNGRIIONSWIA-CHHVJCJISA-N 444.723 5.598 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3-c3ccc(C)cc3)n2)cc1 16842195 MRHIIIILWMGADB-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3)nc2c1 17096602 PMCAWUBSOYJCSI-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB CCN(Cc1c(C)nn(CC)c1C)[C@H]1CCO[C@@H](c2ccccc2-c2ccc(OC)cc2)C1 19711914 JPKGKUJREIHRMV-NEKDWFFYSA-N 447.623 5.938 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc(C)c1Cl 20610674 HIPDSWLSAGNVSK-UHFFFAOYSA-N 448.954 5.832 0 40 IKAB COc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccc(F)cc1 22073629 CKRHSNFRLHYKOJ-UHFFFAOYSA-N 430.317 5.466 0 40 IKAB Cc1nc(SCC(=O)Nc2cc3c(cc2Cl)OCCCO3)c2c(C)c(C)sc2n1 24759188 SOJWHJPQTRBQTD-UHFFFAOYSA-N 449.985 5.162 0 40 IKAB CCCC1=NN(C(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)[C@@](O)(C(F)(F)F)C1 32100703 YUDVKTYLNNAFEX-QHCPKHFHSA-N 448.485 5.031 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2-c2ccccc2)c1 32686236 FXEDPIIDEDRMMJ-UHFFFAOYSA-N 442.588 6.097 0 40 IKAB O=Cc1ccc(OC(=O)[C@H]2C[C@@]3(Cl)C(Cl)=C(Cl)[C@]2(Cl)C3(Cl)Cl)cc1 35185434 WYZONEKYHPKPHC-FZQKWOKYSA-N 448.944 5.256 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(CNc3ccccc3Cl)C2=O)cc1OCC 35239343 BGVSSWKYUNLQQT-UNOMPAQXSA-N 432.929 5.243 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3C)cc2)c1 44848909 XJOBIXQACBCYMM-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(F)(F)F)c4)nccn3n2)cc1 46005268 SXBUEEZFWNCZMP-UHFFFAOYSA-N 442.466 5.454 0 40 IKAB CCOc1cc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)ccc1OCc1ccccc1F 49550408 MHQOABGVDFCYDT-QFIPXVFZSA-N 441.528 5.270 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 67290349 IJQKJEOGERCYIM-UHFFFAOYSA-N 446.576 5.649 0 40 IKAB COc1ccccc1Cc1cccc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72358023 RWXYKGYUVBRLRQ-RUZDIDTESA-N 425.532 5.069 0 40 IKAB COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@H]1C[C@H](O)c1ccccc1 79052644 QDUUOQUVWXIZGW-UGKGYDQZSA-N 446.975 5.265 0 40 IKAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 96581564 ROJAJBSDMWJQBH-IRXDYDNUSA-N 444.553 5.557 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Nc1ccc(SC(F)F)cc1 102988296 PERGSSVDPKZQAM-NYYJTOMGSA-N 430.358 6.064 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(Cl)cc1 106993038 PRQUBJRMPHWCMX-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB CC(=O)N[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@H]12 118932531 HKIHSDNRYFUGCU-RFNSQPKESA-N 443.716 6.503 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218885386 UTVBDZANQJMQCI-MRXNPFEDSA-N 434.374 5.018 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)c2)cc1 222942573 BVAATFISNLOYPD-IBGZPJMESA-N 448.588 5.166 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 223316560 DZAWDFZBIKDZLR-SFHVURJKSA-N 449.422 5.486 0 40 IKAB Cc1ccc(CNC(=O)[C@@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 223485523 ZSJSDRDEQAPFTH-RUZDIDTESA-N 432.539 5.176 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 223599414 BITGNXVHNNBDSS-RUZDIDTESA-N 447.962 6.246 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223905580 HCYRXFWWTSLLCF-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)nc1 224292380 WKCXPAVREQTNLL-DQEYMECFSA-N 439.588 5.370 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3C)c2)cc1 224340778 YBFMIYWRKTYFGS-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1OC 224576805 CPUURPCIUUPKOK-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(Cl)cc1 224672952 HFOCPCCZEYUPSR-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB CC(C)c1ccccc1N(Cc1ccc(C(=O)NCC2=CCCCC2)cc1)S(C)(=O)=O 224840522 YMXVSKMPJMNHNF-UHFFFAOYSA-N 440.609 5.006 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2)ccc1Cl 225511473 HHWRVFRTEHYKMM-QFIPXVFZSA-N 438.980 5.901 0 40 IKAB Cc1cccc(CSCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c1 225578296 BIXHYNYZPMECNU-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 225632758 YDDJYTIABLVMEJ-UGKGYDQZSA-N 445.003 5.058 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCCCCC1 225660511 NPIJMDXWFXNXMU-UHFFFAOYSA-N 425.997 5.992 0 40 IKAB Cc1ccc([C@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 225707698 IXRMBONRYSRESA-FQEVSTJZSA-N 444.644 6.880 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(F)cc3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 252539902 OQVUKRQFTYIHRQ-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB CCC(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257248635 JEOOJKTXJMDMQF-ZVDOUQERSA-N 425.878 6.237 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CCC(=O)C(C)(C)[C@H]1CC3 263600307 JVYYINJWLIGZGB-IDUICLIYSA-N 426.729 8.767 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2Cl)c1 408546745 UXFSNFZQNUMJJB-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2c(C)cccc2C)nc1-c1ccc(F)cc1 408697472 JPVAEHPYHZHEKN-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1cccc(C(F)(F)F)c1 408712952 DDENZRTZJWNMNG-UHFFFAOYSA-N 432.467 5.799 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 408722831 GONQSHFACSVDIH-UXRGOTNFSA-N 437.539 5.220 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccccc2)N[C@H]1c1cccc(Br)c1 408985184 ADDCNVXGJWPXIT-IBGZPJMESA-N 445.382 5.220 0 40 IKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccc(C)cc3)C2=O)cc1C(C)C 409029739 AVGOVEDPRKZVKW-HAHDFKILSA-N 439.577 5.941 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)c1 409100050 UNAWFAARVGQPHC-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409163067 LJZUYRIYSMVZNL-RSZPVBOMSA-N 438.549 5.156 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1OC(F)F 409362494 VEZJAVHPNXWECJ-CXUHLZMHSA-N 425.840 5.581 0 40 IKAB O=C(N1CCC2(CC1)CO[C@H](Cc1ccccn1)C2)C1(c2ccc(Cl)cc2)CCCC1 2037797796 VDPHDASGNRHBHS-HSZRJFAPSA-N 438.999 5.187 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)ccc2C)C=C(C(=O)OCC)C1c1ccccc1OCC 717188 VOVYBZPFIIORGB-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cccc(C)c2C)c1C 871571 UPZDCUTUVLNYJR-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O 894919 HJQXQYYAJWHNLX-UHFFFAOYSA-N 447.629 5.860 0 40 IKAB c1coc(Cn2c(COc3ccc4ccccc4c3)nnc2SCCN2CCCCC2)c1 1356286 UZCRWNJHQGVTBY-UHFFFAOYSA-N 448.592 5.230 0 40 IKAB Cc1ccc([C@@H]2Oc3ccccc3-c3c(C)c(-c4ccccc4)n(Cc4ccccc4)c32)cc1 2060471 ZXOZPEWXMVGWBG-YTTGMZPUSA-N 441.574 7.969 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3cccc4ccccc34)cc2o1 2129028 GZZIGJSCWWTILI-UHFFFAOYSA-N 446.458 6.299 0 40 IKAB biogenic Cc1ccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 2161769 LZPUZKWXXFCLEO-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB c1ccc(CN(Cc2ccccc2)c2ccc(-n3c4ccccc4c4ccccc43)cc2)cc1 2183376 ZFLICTOPDMYKNF-UHFFFAOYSA-N 438.574 7.991 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1 2251797 PLRPYOYQYJRQAL-VXKWHMMOSA-N 432.936 5.514 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1cccnc1 2399318 DGWMUNHYXKZTKF-DEOSSOPVSA-N 428.513 7.084 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1SCc1ccccc1F 2721849 JDTGYWJQANTDLE-UHFFFAOYSA-N 433.457 5.338 0 40 IKAB O=C(Nc1ccc(CSc2ccc(Br)cc2)cc1)c1c(F)cccc1F 3111176 XDZMJUWEWCIMGH-UHFFFAOYSA-N 434.305 6.272 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 3297981 SJUGVVQAYJWNTM-MRXNPFEDSA-N 441.449 6.119 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)[C@@H](C)N1CCCc2ccccc21 3449020 UGAZWQRIGWSRKF-QGZVFWFLSA-N 434.561 5.372 0 40 IKAB COc1ccc([C@@H](NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2ccccc2)cc1 4667896 WHBMMYZJHAPOLC-SANMLTNESA-N 429.604 6.810 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CCC(=O)[C@@](C)(CCCNCCO)[C@@H]3CC[C@]12C 4743445 GKXLUGLOAOBFQD-ZXJUHHKTSA-N 433.721 6.239 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(C)c(Cl)ccc23)cc1 8383488 PIRNMBLEWKNOBW-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB CCCCCCOC(=O)/C=C(\CC(=O)OCCCCCC)C(=O)OCCCCCC 8579663 NTXWYMGTJGKIRK-XUTLUUPISA-N 426.594 5.673 0 40 IKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c1 8828307 UZFSBZZGELXWMV-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB Cc1onc(C(=O)N2CCN(C34CC5CC(CC(C5)C3)C4)CC2)c1-c1ccccc1Cl 8914034 HKXCDWJGEAFJLO-UHFFFAOYSA-N 439.987 5.030 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3cc(C)ccc3C)c3cc(Cl)ccc32)cc1 8922702 VHVADVMLPQXBTF-SANMLTNESA-N 433.935 5.273 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2NCC(=O)Nc2ccc(Cl)cc2F)cc1 9121149 VZHLDLTXCJENIH-UHFFFAOYSA-N 441.890 5.181 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 9327480 XHYMIULQBXHUKY-UHFFFAOYSA-N 437.546 5.031 0 40 IKAB O=C(c1ccccc1)c1cc(Br)ccc1NC(=O)c1cc2ccccc2oc1=O 9367839 QYLIKHQODQYGGJ-UHFFFAOYSA-N 448.272 5.039 0 40 IKAB COC(=O)c1ccc(Oc2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 9410811 QEKUWTNELUJBEL-UHFFFAOYSA-N 444.487 5.557 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4)c3)nc2c1 9449280 HRRJKVFUHARFNS-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB Brc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCC1 9459530 BEOYJFQMMDQYJC-UHFFFAOYSA-N 431.337 5.589 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(C)c3C)c3cc(C)ccc3n2)cc1 9581366 DTAQOVIDTIVFIP-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB CCc1cc2c(CSc3nnc(-c4ccccc4F)n3C3CC3)cc(=O)oc2cc1O 9638667 LZALTIITGARXEW-UHFFFAOYSA-N 437.496 5.086 0 40 IKAB Cc1cccn2c(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)c(-c3ccccc3)nc12 9670102 DAOLDJGAMMYLAH-JOCHJYFZSA-N 427.504 5.120 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 9671606 KFSOASQLXNYPHA-XMMPIXPASA-N 428.532 5.437 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@@H]2c2ccc(Cl)cc2)cc1 9679136 MRWGWXFLRPJZGN-QHCPKHFHSA-N 434.326 6.442 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cc(Cl)ccc4Cl)cc3)oc2cc1C 10120318 PNVADCSLMVAFRZ-UHFFFAOYSA-N 425.315 6.348 0 40 IKAB CCc1nnsc1C(=O)Nc1c(C(=O)Nc2cccc(Cl)c2)oc2ccccc12 10213408 OZTRKTJFXBBGAY-UHFFFAOYSA-N 426.885 5.005 0 40 IKAB COc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1Cc1ccccc1 12496294 VLXIVGZIPYNRNN-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB Cc1ccc(-n2ccnc2SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1C 12603315 RFQKQCQDBOMJAM-UHFFFAOYSA-N 439.890 5.892 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)s1 13134798 OGQBWIQFYVKXPC-AWEZNQCLSA-N 425.579 5.533 0 40 IKAB CCCc1ccc(-c2csc(NC(=O)c3nn(CCC)c(=O)c4ccccc34)n2)cc1 13146532 ZHCWKABYPMHJSW-UHFFFAOYSA-N 432.549 5.135 0 40 IKAB CSc1cccc(N/C=C2/C(=O)N(c3ccc(F)cc3Cl)C(=O)c3ccccc32)c1 13165752 ZFZMAQOMOWBVRH-CPNJWEJPSA-N 438.911 5.841 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccoc2C)n1-c1ccc(F)cc1 13512068 QMRHAVDJSZSFKG-UHFFFAOYSA-N 436.512 5.322 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 13942739 FFAPZPDSURTCFJ-GFCCVEGCSA-N 434.841 6.177 0 40 IKAB COc1ccc(-c2cc(NC(=O)[C@@H](NC(=O)Nc3ccccc3)C(C)C)ccc2OC)cc1 14125951 RCLFAUQZDHAVOH-DEOSSOPVSA-N 447.535 5.156 0 40 IKAB CC(C)c1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)cc1 14272019 ZMTBDOMKCHFLOZ-UHFFFAOYSA-N 441.383 7.646 0 40 IKAB O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1-c1ccccc1 14902425 UDAPNEVXOJGJFS-UHFFFAOYSA-N 434.471 5.423 0 40 IKAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 16302524 MUQLBCKFKYCYGT-UHFFFAOYSA-N 434.499 5.183 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNCc1ccccc1Cl 16688082 PEUVTYMYYOCIOM-UHFFFAOYSA-N 433.571 5.554 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)cc1Cl 16758042 KXLQUOFXVSYHEU-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)cc1 17095932 GFHVYWIDIXQWGN-IBGZPJMESA-N 428.532 6.643 0 40 IKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 19074419 GRBSCOWAEFVPBK-UHFFFAOYSA-N 440.368 6.739 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCC[C@]4(CCC(=O)N4)[C@H]3c3ccc(F)cc3)oc2c1C 19218024 PQKKRTOUMUNFJI-RSXGOPAZSA-N 434.511 5.123 0 40 IKAB O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 19370896 ISODBYSWWKPDCB-YIXXDRMTSA-N 448.010 5.437 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1 20610118 OJDQPTAQEZQECI-UHFFFAOYSA-N 448.526 5.814 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578585 XCZUNFVVBWJWKM-UHFFFAOYSA-N 428.532 6.851 0 40 IKAB CCOc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)Nc2ccccc2)cc1 23011732 ALCPXWATCINNIJ-UHFFFAOYSA-N 433.508 5.527 0 40 IKAB O=C(NCc1cccs1)c1ccc(CSc2nc(-c3ccc(Cl)cc3)cs2)o1 23136442 FWSUBNIXXQMARX-UHFFFAOYSA-N 447.006 6.340 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)o1 23601870 LPTKQHAFXDLNMG-GFCCVEGCSA-N 436.518 5.456 0 40 IKAB CN1CCc2nc3ccccc3c(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)c2C1 23983714 YNEOHEUAPCGKDK-HHHXNRCGSA-N 436.511 5.004 0 40 IKAB Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccccc3)n2)cc1 28292393 LXRQEDVDWLXABZ-UHFFFAOYSA-N 443.597 6.481 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 28536808 JVRUDYNTKOCRNP-PHHGASLBSA-N 436.592 6.107 0 40 IKAB Cc1ccc(C(C)C)c(OCCOc2ccc(Cl)cc2/C=C2\SC(=S)N=C2O)c1 32109511 RXGDUYGDFXCPFI-NDENLUEZSA-N 448.009 6.559 0 40 IKAB OC1=NC(=S)S/C1=C\c1cn(CCCOc2ccc(Cl)cc2)c2ccccc12 32109560 PPPDRMYWVKHNBJ-UNOMPAQXSA-N 428.966 6.093 0 40 IKAB CCOc1cc(C(=O)NC(c2ccccc2)c2ccccc2)ccc1OCc1ccncc1 32451227 VJSJJSYXQBBOSZ-UHFFFAOYSA-N 438.527 5.579 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2Cl)cc1 33876420 ZLZALVIPNQWWEN-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671797 OROOFTDESCMGJP-WUKNDPDISA-N 425.513 5.714 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1CCCc1ccccc1)c1nc(C(C)(C)C)no1 37165028 WDMVUWJIUPIRKH-KRWDZBQOSA-N 448.592 5.563 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38833949 GFQWEJVWZVQHLQ-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB CCc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(F)cc1 40396734 KKYOCNFFINYOHF-UHFFFAOYSA-N 432.886 5.114 0 40 IKAB O=c1cc(-c2ccc(F)cc2)nc2n(Cc3cccc(C(F)(F)F)c3)c3ccccc3n12 40484786 GTUOEBLKTFMPIR-UHFFFAOYSA-N 437.396 5.522 0 40 IKAB Cc1cc(Br)c2oc(-c3cc(I)ccc3Cl)nc2c1 40542321 VTCYIIBAWOPRLL-UHFFFAOYSA-N 448.485 5.824 0 40 IKAB CN(Cc1ccc(Br)o1)Cn1nc(Nc2ccccc2F)sc1=S 48340441 LGEGBBDUFLDHPJ-UHFFFAOYSA-N 429.340 5.002 0 40 IKAB O=C(N1CCc2[nH]c3c(Br)cccc3c2C1)C1(c2ccc(F)cc2)CCC1 58217183 KMIDPBGKXFPJJX-UHFFFAOYSA-N 427.317 5.076 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)o2)cc1Cl 59267775 ZXZZOJCQSDRHGM-UHFFFAOYSA-N 428.728 5.736 0 40 IKAB COc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc2ccccc2c1 59409177 MBHBDQXASQUWLB-AREMUKBSSA-N 426.541 6.124 0 40 IKAB CSc1cccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)c1 64788011 SIFZKXSKRJTEDS-UHFFFAOYSA-N 427.938 5.051 0 40 IKAB O=c1c2ccccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccc(Cl)cc1 67259589 QRQLSEHDYHFOFY-UHFFFAOYSA-N 445.346 6.183 0 40 IKAB Cc1sc2nc(C(C)C)n([C@H]3CCCN(C(=O)C4(c5ccccc5)CC4)C3)c(=O)c2c1C 72347719 UEPOJFLNFYGHMD-FQEVSTJZSA-N 449.620 5.094 0 40 IKAB CCCC(=O)N1CCC(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1 95458918 JROYXEBDYTVEOX-CTNGQTDRSA-N 438.534 5.277 0 40 IKAB CCn1c2ccccc2c2ccc(/N=c3\cc(-c4ccc(OC)cc4)oc4ccccc34)cc21 95482130 IELRNBPSWMSPRW-GKPLWNPISA-N 444.534 7.469 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@H]4[C@H]5CC[C@@H](C5)[C@@H]4C3=O)cc2)cc1 102518745 RQSKSUQUROCAQH-PTRHGPIFSA-N 431.532 5.129 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 102676498 ZCJKFYHNWQJUCU-MNHOVEMASA-N 430.529 5.220 0 40 IKAB Cc1cccc(C)c1NC(=O)C(=O)CC(=O)c1sc(Nc2c(C)cccc2C)nc1C 102981847 OLFHKUPTVNGLGB-UHFFFAOYSA-N 435.549 5.209 0 40 IKAB COc1ccc(-c2nnc(NC(=O)CSCc3ccc(Cl)cc3Cl)s2)cc1 105550618 RCKBKFFHADYUBF-UHFFFAOYSA-N 440.377 5.392 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C 118936403 HIKOFMOIGVJKRE-IEUODFCESA-N 444.744 7.484 0 40 IKAB O=C(c1cccc(OCc2ccccc2)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 218977225 HTAQIGNSHZUDQD-UHFFFAOYSA-N 440.465 5.247 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222563541 WSAUCKSUOQGLOY-PGRDOPGGSA-N 447.044 5.197 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 222752609 ITAKTRAFPXDBIM-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 223025580 PKYDOXIWWWSYOM-WOJBJXKFSA-N 445.997 5.098 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 223085448 ZULGBAYQHCYJBF-UHFFFAOYSA-N 426.560 5.965 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 223656832 LSCAMGXDVHSSAS-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1Cl 224156248 VCMYLZHNCHCWCQ-UHFFFAOYSA-N 430.331 5.690 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)c(C)c1 224290138 RJUCEOVPXVLFTL-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 225334118 SHIOJXSHDUFLMH-UHFFFAOYSA-N 431.285 5.294 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C(C)C 225341698 FPBIQIFXFOZBBQ-LOSJGSFVSA-N 448.636 6.045 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1)N1CCCCC1 225525695 AFSPQXMRBGOARK-UHFFFAOYSA-N 440.971 5.182 0 40 IKAB COc1ccc(SCCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225803250 ABSORZOJMHVPLJ-UHFFFAOYSA-N 445.835 5.580 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)cc1 225865521 SQGTXYPOUFZUCQ-UHFFFAOYSA-N 442.028 5.699 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 226349120 CNAQQBNGBUOXFZ-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)N1c1ccc(Cl)cc1 408558507 RPEIWGNGXYPLBA-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB O=C(NC1CCCCC1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408692204 GZYPXEVEYYJJLS-UHFFFAOYSA-N 433.314 5.443 0 40 IKAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCc2ccccc21 408704807 TVXFCAPISVVEPX-VWLOTQADSA-N 448.975 5.317 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409106061 LXEWWAZMFLAOBN-UHFFFAOYSA-N 437.952 5.767 0 40 IKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)c2ccccc21 409111638 DGONMCMXFLENCI-STZFKDTASA-N 438.354 6.870 0 40 IKAB CCCc1sc2nc(SCCc3ccccc3)n(-c3ccc(C)c(C)c3)c(=O)c2c1C 409112179 BSEHMINDLQLYCX-UHFFFAOYSA-N 448.657 6.660 0 40 IKAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)O)cc1 409142487 AGCJOJQSYZUQQZ-QHCPKHFHSA-N 434.517 5.059 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 409361904 QJPKVCQFOVTSKS-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845637 FPLSHVXKTAUIKA-QGZVFWFLSA-N 434.902 5.209 0 40 IKAB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc2c(c1)OCO2 720530 FXVNSTZPSHWZMB-FGZHOGPDSA-N 425.843 5.052 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](c1ccc(O)cc1)N(CC(C)C)C(=O)c1ccccc1F 1410273 LVEDZTBSEQJUJV-VWLOTQADSA-N 448.538 5.626 0 40 IKAB CCCCCCC(=O)N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 1787079 VLPDDRIVWSQPPX-AWEZNQCLSA-N 430.601 5.644 0 40 IKAB CCc1ccc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 2112481 CHAQRPPYMSXXDZ-UHFFFAOYSA-N 425.528 5.920 0 40 IKAB biogenic COc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2249141 IIGQRHGMKPKIEP-FCHUYYIVSA-N 448.935 5.214 0 40 IKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1 2413983 OIKBOQGUTDEMOT-UHFFFAOYSA-N 432.549 5.353 0 40 IKAB O=c1c2c3c(sc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)cc1)CCC3 2687561 KDBJANLAZGINHZ-UHFFFAOYSA-N 443.355 5.058 0 40 IKAB CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)N(CC)CC)c1C2 2690407 BHLHNAOAUGPWKC-UHFFFAOYSA-N 449.576 5.199 0 40 IKAB O=C1CN(C(=O)c2cc(Cl)ccc2Cl)[C@@H](c2ccccc2)c2cc(F)ccc2N1 2724773 DKFRQYWTXOFTOF-NRFANRHFSA-N 429.278 5.316 0 40 IKAB Cc1cc(NC(=O)CCCc2c[nH]c3ccccc23)nn1Cc1ccc(Cl)c(Cl)c1 2729239 YTTHQBORVPCKOL-UHFFFAOYSA-N 441.362 5.989 0 40 IKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(Cl)cc1C(F)(F)F 3234726 YQKXYZZOWFXMSF-UHFFFAOYSA-N 447.840 5.745 0 40 IKAB O=C(COC(=O)c1cc(Cl)cc(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 3297849 BUCIUUNCUJYPPR-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB O=C(COc1ccc(Cl)cc1Cc1ccccc1)Nc1ccccc1-c1ccccc1 3325015 ROZKEYDPTSRFBM-UHFFFAOYSA-N 427.931 6.615 0 40 IKAB Cc1ccc(-c2ccc(OC(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)c(C)c2)cc1 3358607 JBBRMDHMZMMZFT-UHFFFAOYSA-N 449.572 5.364 0 40 IKAB CCCn1c(SCc2ccc(Cl)cc2Cl)nc2sc3c(c2c1=O)CCCC3 3365801 JAINIIRDFUVYNA-UHFFFAOYSA-N 439.433 6.346 0 40 IKAB Cc1ccccc1NC(=O)N(CC(=O)O[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 4825429 QUYGJBLLXRIPDR-NDIWIEOSSA-N 426.601 5.920 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4831515 XCDQFROEGGNAER-RXLLMVQZSA-N 428.745 8.249 0 40 IKAB Cc1scc(I)c1-c1c(I)csc1C 8431219 BKDQPLUBAWHCLR-UHFFFAOYSA-N 446.116 5.303 0 40 IKAB COc1ccc(-c2sc(NC(=O)C34CC5CC(CC(C5)C3)C4)nc2-c2ccccc2)cc1 8454179 LHGBPESPYCHFIU-UHFFFAOYSA-N 444.600 6.641 0 40 IKAB C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)c1ccccc1 8711931 BJGAFGXADZUOAB-XYPHTWIQSA-N 448.876 5.688 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3cccc(C)c3)cc2c1 8829239 ZTVFWZVFHFJZIF-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB aggregator CCCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 8846265 UWSLYXHQJRCDMZ-DEOSSOPVSA-N 440.499 5.031 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c(C)c1 8871474 BIQBWARDFZHFBS-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1 9041141 AEMVLFYCLXAYJK-IGKIAQTJSA-N 442.559 6.244 0 40 IKAB CC(=O)C1=NN(c2ccccc2C)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9064983 UCPJMNJQVOHISH-VWLOTQADSA-N 426.545 5.505 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 9100690 WXSOCMRGMRNZLC-UHFFFAOYSA-N 447.922 5.425 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@H]1CCCO1 9208633 WHWXMYFYJJKUDM-QRQCRPRQSA-N 431.517 5.302 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(C)c2)cc1OC 9327756 TZFOXDDEQVVHAA-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)C)cc1)N(c1cc(C)on1)C3=O 9452935 IZQDABOJYUPGQL-HSZRJFAPSA-N 428.488 5.525 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc3n2CCCCC3)cs1 9500408 QUDGZGDXQLEYBM-UHFFFAOYSA-N 427.599 5.055 0 40 IKAB COc1ccc(/C=C/c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc1OCc1ccccc1 9508698 XEONUUPHHHUUJV-ACCUITESSA-N 430.529 5.231 0 40 IKAB Cc1nc(-c2ccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)cc2)cs1 9577831 WEVIXSJYDWVSNL-UHFFFAOYSA-N 441.965 5.355 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@H](C)Oc2ccccc2F)o1 9580873 MQQOTKMBSLWEGF-UONOGXRCSA-N 425.485 5.502 0 40 IKAB Cc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12 9591388 LZBROGGQTAXZGY-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccc2noc(-c3ccccc3)c2c1 9748850 BBCHXIZRSLYMAP-UHFFFAOYSA-N 439.515 5.051 0 40 IKAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9864898 HRKQUEHXNMKWEZ-QHCPKHFHSA-N 426.545 5.127 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)NCc1ccc(Cl)cc1Cl 10364453 HBZFZCRNQHBYKS-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCCC(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183497 BKVMLJLIDIUWNI-UKPHBRMFSA-N 426.508 5.111 0 40 IKAB Fc1cccc(COc2ccc(-c3noc(COc4ccc5ccccc5c4)n3)cc2)c1 12360514 GKSODEVUTONRQI-UHFFFAOYSA-N 426.447 6.187 0 40 IKAB COc1cccc(/N=c2\oc3cc(OC)ccc3cc2S(=O)(=O)c2ccc(C)c(C)c2)c1 12437432 BGJUJFBDPHWLAL-QPLCGJKRSA-N 449.528 5.132 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 12476775 DFSROSTVPXOGGW-HSZRJFAPSA-N 440.540 5.246 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4cccnc4)=Nc4ccc(OC)cc43)cc2)cc1 12707498 KRJHYMPXNFKYAE-UHFFFAOYSA-N 434.499 5.200 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2c(-c3ccccc3)nc3sccn23)cc1 12741140 YWRXZZJLJCRURU-UHFFFAOYSA-N 448.548 5.591 0 40 IKAB CCC[C@@H](C)NC(=O)/C=C/c1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 12782452 ROPHKQDEBAJEJS-WTNCMQEWSA-N 425.476 5.165 0 40 IKAB Cc1nc(COc2ccc(C(=O)N[C@H](C)c3ccccc3Br)cc2)cs1 12819071 BHSVGXZKIOWRJJ-CYBMUJFWSA-N 431.355 5.284 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(CN2CCCC2=O)cc1 13112648 HLPJGJIMDREFFS-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB Clc1ccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2C[C@H]2CCCO2)cc1 13121042 NWAMNOYFXSQECJ-QGZVFWFLSA-N 442.928 5.318 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cccc(Oc3ccccc3)c2)c(C)n1C[C@H]1CCCO1 13146227 PDJRCCRBTCMSJU-HSZRJFAPSA-N 433.504 5.116 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)N3CCCCCC3)cc2)cc1)N1CCCCCC1 13303465 AVOPSIAVEGOBFT-UHFFFAOYSA-N 448.611 6.093 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3Cl)c(C)nc2n1Cc1ccccc1 13502039 KJLFORCDZYUTEH-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB CCCCn1c(NC(=O)/C=C/c2ccccc2)c(C(=O)OCC)c2nc3ccccc3nc21 13774915 RNUWXJDUILFUAS-FOCLMDBBSA-N 442.519 5.213 0 40 IKAB Cc1ccccc1Cn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 13960740 NPSPOLQJMYGBSW-UHFFFAOYSA-N 439.303 6.615 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1 14272613 MCEATYPBKZLFJN-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(Br)cc1C 17094255 NFUPGSRMBAKBIQ-FPYGCLRLSA-N 425.120 5.181 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17095835 HBRRXYOCYMXRGF-UHFFFAOYSA-N 428.488 5.826 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4cccnc4)C3)n2)c1 19294082 OGAWKTOIIYBTRF-NRFANRHFSA-N 440.526 5.196 0 40 IKAB NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2cc3ccccc3o2)C1 19376267 HDBNHBICRSVPKI-AREMUKBSSA-N 444.556 5.112 0 40 IKAB O=C(CC1CCCC1)N[C@H](c1ccccn1)C1CCN(Cc2cccc(F)c2F)CC1 19400870 MOESNYMGMDZECT-VWLOTQADSA-N 427.539 5.010 0 40 IKAB O=C1[C@@H](C2CCN(Cc3ccc4ncccc4c3)CC2)CC=CCN1Cc1ccccc1 19698508 NDDQBASKISVIQB-AREMUKBSSA-N 425.576 5.052 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1 20807940 MZMRSWBMNRJEKO-SDNWHVSQSA-N 440.886 7.060 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2cc(Cl)ccc2C)cc1 22277597 KBKJKNVLHOJASF-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)cc(=O)c2cc1Cl 28289971 OXBUSWUEBGMSCO-SFHVURJKSA-N 444.984 5.163 0 40 IKAB Cc1nn(-c2ccc(NC(=O)c3cccc(Br)c3)cc2)c(C)c1Br 28573013 OQKUAKBJNNUMOO-UHFFFAOYSA-N 449.146 5.266 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 30869439 LZLAHMVCPQKKGA-QFIPXVFZSA-N 436.939 5.109 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1C 32116508 KROXWUVVXPTJRL-UHFFFAOYSA-N 432.523 6.882 0 40 IKAB CCCc1ccc([C@H](NC(=O)CCc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 32768919 UTIFTKLWLQWRDO-HSZRJFAPSA-N 425.960 5.789 0 40 IKAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1CSc1nc2ccccc2s1 32963867 SDGZJBHSFLREBI-UHFFFAOYSA-N 432.530 5.011 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 33706787 HGPNYHNXMXCPQB-JFENUBAZSA-N 436.360 6.407 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)c1 35146483 SHRMSEZDZWRPOD-HXUWFJFHSA-N 433.596 5.662 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 44848616 JULYMEHGKFCSOB-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(C)cc1 45890911 SASJQVKIWJNNLH-UHFFFAOYSA-N 426.152 5.225 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N(C)CC(=O)Nc2cccc(C)c2C)c1 58149328 ADCWZOHNRCCLQQ-SANMLTNESA-N 429.564 5.171 0 40 IKAB O=C(CSc1nnc(-c2ccccc2O)n1-c1ccccc1)Nc1ccc(Cl)cc1 59475324 QJRARIVMOJIEEZ-UHFFFAOYSA-N 436.924 5.024 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(C)c(Cl)c3)oc12 73642741 FEZDNHLEAWOWCC-UHFFFAOYSA-N 444.554 6.126 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2nc(-c3cccc(C(F)(F)F)c3)[nH]c2C)c(C)c1 89568791 STBQSJLQDUQJNF-UHFFFAOYSA-N 445.441 5.125 0 40 IKAB CC(C)Oc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582698 DDZAAXPGHQTUCB-MJXNMMHHSA-N 432.387 5.221 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(Cl)ccc4Cl)ccc32)c1 223083543 KEUDFGXDAIGCDL-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 223192720 SWGHMVZTXOHNID-IBGZPJMESA-N 448.588 5.084 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3ccc(C(C)C)cc3)cc2)cc1 224083276 USRCHVHUCWZKOS-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccc(C)c(C)c1 224290017 YNNOPFHQGJTDCD-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 224351730 VQXLPXZGIWNEHH-LJQANCHMSA-N 441.786 5.133 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1COC(C)C 224431467 QXCMBDLICABMLW-UHFFFAOYSA-N 437.923 5.757 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)(C)C)c2)cc1Cl 224954888 ILAHOPLTJXMLQK-NHCUHLMSSA-N 441.000 5.477 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224972257 RMDJQYKBDQNEMQ-OAQYLSRUSA-N 434.539 6.026 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225515961 ROFOMQADZNKNLA-PXDATVDWSA-N 438.612 5.219 0 40 IKAB C[C@H]1CCCCN1c1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC2CCCCCC2)n1 226010343 JKMSFRNKPYCWGO-MOPGFXCFSA-N 444.693 5.101 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Br)cc2)cc(Br)c1O 226243190 TVZWNYKQGZPJCW-UHFFFAOYSA-N 443.135 5.022 0 40 IKAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)c2)c1 257223123 DVYHZKIWIBXVKH-FQEVSTJZSA-N 446.595 5.116 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)ccn1 257287278 PPGGRYFJDGLTFA-QFIPXVFZSA-N 444.560 5.460 0 40 IKAB COc1cccc(C(=O)N2CC[C@@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)c1OC 257307161 SXLMXNXKEFSBRE-LJQANCHMSA-N 431.536 5.089 0 40 IKAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257313407 USGXOZWCVJOINT-FQEVSTJZSA-N 427.935 5.970 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccc4ncccc4c3)CC1)[C@H]1CCCO[C@H]21 257333047 XZWNFLVAANGTGM-WIOPSUGQSA-N 430.548 5.138 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257334789 YHKFHGIAJYLCTA-GOSISDBHSA-N 449.457 5.218 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C[C@H]2C=CCC2)CC1 257335713 YLNFWUWCXAZPFT-QHCPKHFHSA-N 444.619 5.306 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408553531 AKPKTSACJJPOOU-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCc1sc(C)nc1-c1ccc(C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 408579048 COQOISOVOCUXJB-UHFFFAOYSA-N 441.552 6.388 0 40 IKAB CC(C)COc1ccc(/C=C2/SC(=O)N(Cc3ccccc3)C2=O)cc1Br 408601935 MGPSRHQSTYFBSY-YBFXNURJSA-N 446.366 5.720 0 40 IKAB Cc1ccc(CSc2nc3ccc(N4C(=O)[C@H]5CCCC[C@@H]5C4=O)cc3s2)c(C)c1 408986288 OXYYPVIKEUTFJZ-OALUTQOASA-N 436.602 5.885 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OC)cc2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C 524733563 WCOFHAMHJJNIMX-QUCCMNQESA-N 445.581 5.480 0 40 IKAB COc1cc(Cl)c2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265243 ZQQVOTPHSUNRFA-GKBFQHABSA-N 430.928 5.299 0 40 IKAB Cc1cccc(C(=O)N2CCCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)c1 2037885069 WAZZPYKBEJKIIF-UHFFFAOYSA-N 434.624 6.371 0 40 IKAB O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 674976 BUTQXSFMIXYRCH-ONGXEEELSA-N 446.216 5.091 0 40 IKAB O=C1c2ccc(-c3nc4ccccc4s3)cc2C(=O)N1c1ccc(Br)cc1 692884 QFIIJAYWNRULDL-UHFFFAOYSA-N 435.302 5.526 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2 1773633 RDIXDUUYTLZKMM-CQSZACIVSA-N 435.973 5.501 0 40 IKAB COc1cccc(NC2=C(Sc3ccc(C)cc3)C(=O)N(c3ccc(C)cc3C)C2=O)c1 1809086 LZUTYMPRIVKCOV-UHFFFAOYSA-N 444.556 5.610 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1 1848547 XMXNLTGUCDRGDL-UHFFFAOYSA-N 449.542 5.946 0 40 IKAB CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1893198 PDGHFPSHTKIHAI-SANMLTNESA-N 446.660 7.262 0 40 IKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)CC(c2ccccc2)c2ccccc2)c1 2073489 MAXVEQKGHYJXFJ-UHFFFAOYSA-N 448.994 6.277 0 40 IKAB O=C(COC(=O)c1cc(-c2cccs2)nc2ccccc12)c1ccc(Cl)cc1Cl 2079586 CQPYGSYCFGAZKO-UHFFFAOYSA-N 442.323 6.310 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccc2)cc1 2182012 VPXMMBWKQDSAFS-RWEWTDSWSA-N 449.304 5.689 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1 2429737 SRJKWQKHMIPRFW-SDNWHVSQSA-N 436.385 6.098 0 40 IKAB O=C(Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)N(c1ccccc1)c1ccccc1 2666291 MIVCPWUKDDLFHP-UHFFFAOYSA-N 433.463 6.797 0 40 IKAB biogenic CCOc1cccc2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3)c1C2 2689877 GNTPEZRVRNXIFY-UHFFFAOYSA-N 426.541 6.531 0 40 IKAB COc1cc2c(cc1OC)CN(c1ncnc3scc(-c4ccc(Cl)cc4)c13)CC2 2890857 MUETXOPNKSXWQD-UHFFFAOYSA-N 437.952 5.592 0 40 IKAB CCCOc1ccc(-c2ccc(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)cc2)cc1 3203615 AEOHALLGYIQILI-UHFFFAOYSA-N 441.531 5.193 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COc3ncnc4sccc34)cc2)cc1 3297958 WFVXSLRGYUQVNP-UHFFFAOYSA-N 447.560 6.189 0 40 IKAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCCCC(=O)c3ccc(F)cc3)cc12 3336943 HECJLGWUAGJDRO-UHFFFAOYSA-N 436.508 5.414 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 3671220 JJSCNOOZMWTWQB-JJIBRWJFSA-N 439.511 5.856 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 3881623 JVRUDYNTKOCRNP-ARZCWHKOSA-N 436.592 6.107 0 40 IKAB biogenic,in-vitro O=C1C[C@H]2CCCC[C@@H]2C[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 5385368 PDNQXLXVLOVBBG-SLQPCKNISA-N 440.583 7.098 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)[C@@]2(c3ccccc3)O[C@]1(c1ccccc1)c1ccccc12 8446417 FOUUOIDVZJCPLU-IOWSJCHKSA-N 444.530 6.235 0 40 IKAB O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 8603884 XLPZFLXDEIXISR-UHFFFAOYSA-N 432.495 5.979 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3ccco3)c1)O[C@H]1CCCC[C@H]21 8816559 UOWXKHBODKGGSD-XHNVNVPESA-N 433.504 5.695 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)c2C(N)=O)C1 8832463 ZYLRNOUTVHUVGE-SNVBAGLBSA-N 449.359 5.791 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccccc2)cc1 8840674 ZPLNKZDNOBGKAQ-UHFFFAOYSA-N 434.561 5.090 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1Cl 9158443 YHLOHODZHWFWOD-CVDCTZTESA-N 439.298 5.964 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)c1 9193251 VBFCRTZFLDCZPR-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB Cc1cccc(-n2c(SCC(=O)c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 9296214 MIDRNLMSTAPBTH-UHFFFAOYSA-N 446.597 5.609 0 40 IKAB Cc1oc2cc(O[C@H](C)C(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccccc1 9336918 ZYFYHRVYTWWCDD-MRXNPFEDSA-N 435.501 5.039 0 40 IKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 9404023 LDLZAPWCSQGSKO-UHFFFAOYSA-N 443.903 5.917 0 40 IKAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 9459694 YBVSATGNIQFNFA-ACJLOTCBSA-N 440.396 6.053 0 40 IKAB Cc1cc(C)nc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccccc2OCc2ccccc2)n1 9485851 DCOOVNKFTGZMCV-NRFANRHFSA-N 439.519 5.290 0 40 IKAB O=C(c1ccccc1Oc1ccccc1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 9541171 KRJGZEBRKFVECM-UHFFFAOYSA-N 449.963 5.704 0 40 IKAB C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)Nc1cccc(Cl)c1 9584731 RARRIEZIAIABMK-JTQLQIEISA-N 442.418 6.089 0 40 IKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 9595574 HDDQRTSILGUVFS-UHFFFAOYSA-N 429.925 5.238 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C(=O)NC3CC3)c3ccccc3)n2Cc2ccco2)c1 9644646 LAVQTGXJLWQQBL-JOCHJYFZSA-N 444.560 5.007 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 9804766 WODQXXLVCVXCEC-GOSISDBHSA-N 444.354 5.187 0 40 IKAB COc1cc(CNc2ccc(N3CCCC3)cc2)cc(Cl)c1OCc1ccc(F)cc1 9804857 BVAVXBVBYNIMOR-UHFFFAOYSA-N 440.946 6.279 0 40 IKAB CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 10294158 PQJXDDMGTHUYAN-VWLOTQADSA-N 432.545 5.112 0 40 IKAB CCOc1ccc(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)cc1 10589348 NCTNTXOCHRWMNE-UHFFFAOYSA-N 438.321 5.260 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc4c(c3)NC(=O)CCS4)ccc2OC)cc1 12034893 JMBPDBXJIMGFIE-UHFFFAOYSA-N 434.517 5.057 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)c2cc3ccccc3oc2=O)n1 12276376 SIXBQROGBPOMAN-UHFFFAOYSA-N 444.512 5.032 0 40 IKAB COC(=O)c1ccc(Oc2ncnc3scc(-c4ccc(-c5ccccc5)cc4)c23)cc1 12562855 RYKRGQCCELAVOZ-UHFFFAOYSA-N 438.508 6.604 0 40 IKAB O=C(Nc1nc(-c2cccnc2)cs1)c1cc2sc(Nc3ccccc3)nc2s1 12565144 QHABAQGMBPSXPS-UHFFFAOYSA-N 435.559 5.872 0 40 IKAB CCc1ccc(NC(=O)Cn2c(COc3cccc4ccccc34)nc3ccccc32)cc1 12650334 ZHTRKUIXIDRVCZ-UHFFFAOYSA-N 435.527 5.970 0 40 IKAB CCc1ccc(OCc2nnc(SCc3cccc(C(=O)O)c3)n2CC(C)C)cc1 12997728 OBSQSGNZXQXHGE-UHFFFAOYSA-N 425.554 5.066 0 40 IKAB O=C([C@H]1CC=CCC1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13031151 GAQWBGNBQFAZQF-FUHWJXTLSA-N 447.398 5.441 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2nnc(CC(C)C)s2)cc1 13109257 RBBMSNNMEVWFSR-UHFFFAOYSA-N 448.617 6.017 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13810127 JKTNYDSHFOEPRS-XNMGPUDCSA-N 428.532 6.116 0 40 IKAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 13810644 LFJBJNCPKYFKCX-IYBDPMFKSA-N 447.025 5.797 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2c(Cl)cccc12 14269833 RHVVKPJPUVAULA-UHFFFAOYSA-N 444.170 6.580 0 40 IKAB COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc12 16249661 AVWLVJHLKIRFIN-UHFFFAOYSA-N 431.532 5.972 0 40 IKAB CC1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 17096646 OTSLVULOOCZBIZ-UHFFFAOYSA-N 429.589 5.717 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@H](C)O4)c(C)s2)CC1 19796585 BFNMMDKFHCYMNE-OOHWJJMZSA-N 441.597 5.773 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20456874 CLKCIGFOFNOCIK-XMMPIXPASA-N 430.548 5.652 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 20460892 PNAHSMZEGGBKSJ-HXOBKFHXSA-N 436.939 5.627 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3nn(-c4ccc(OCC)cc4)nc3c2)c1 20610251 DGFVABFXVDUGCO-UHFFFAOYSA-N 430.508 5.250 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCc2ccccc21 21486476 PLKGOXODKYJYJR-UHFFFAOYSA-N 446.963 5.269 0 40 IKAB CC(C)c1ccccc1N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)S(C)(=O)=O 22381415 IIPHWCZPJRSLGV-UHFFFAOYSA-N 438.549 5.007 0 40 IKAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2ccccc2Cl)n1 27776723 NCIOFGCFNNUNPA-CYBMUJFWSA-N 426.929 5.228 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N(C)C)c(C)c2cc1Cl 28289691 AXZPTBIHPWCFCN-OAQYLSRUSA-N 426.988 6.033 0 40 IKAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3ccc(N4CCCCC4)c4ccncc34)c12 30013322 SWWPLTADWXOFMF-UHFFFAOYSA-N 427.508 5.199 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 30937886 LBGAWUXGEQAOII-HXUWFJFHSA-N 437.008 6.342 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 30947152 ASQQAHZICAIBTJ-UHFFFAOYSA-N 425.576 5.960 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32115540 FNSHILWQQPVUIC-UHFFFAOYSA-N 426.850 6.802 0 40 IKAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)NCc4ccc(Cl)cc4)cc3)n2)cc1 32578782 XSEBOMZHLCVDDC-UHFFFAOYSA-N 433.895 5.061 0 40 IKAB CCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)c2cccnc12 32624747 BXQGXGWFBUXWGG-UHFFFAOYSA-N 443.286 5.689 0 40 IKAB Cc1ccccc1NC(=O)c1ccccc1OCC(=O)Nc1ccc(Br)cc1 32975878 DRHSABHFBZSSAY-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)c3ccccc3F)c(Cl)nc2c1C 35311771 XQFLNKCNTSXMCT-UHFFFAOYSA-N 433.914 5.882 0 40 IKAB O=C1N=C(Nc2ccc(O)cc2)S/C1=C\c1ccc(-c2cc(Cl)ccc2Cl)o1 35646184 QTGNKLHJQLQHHQ-ZDLGFXPLSA-N 431.300 6.041 0 40 IKAB CCCc1noc2nc(C3CC3)cc(C(=O)Nc3cc4c(cc3Cl)OCCCO4)c12 40132067 TUFNOILGNNFDNF-UHFFFAOYSA-N 427.888 5.120 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 46078790 SYONJXITQANDFM-UHFFFAOYSA-N 426.850 5.464 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3cccc(C(F)(F)F)c3)cs2)c1Br 48368451 JAFOTQQOQKBBDY-UHFFFAOYSA-N 445.260 6.054 0 40 IKAB Cc1cc(Nc2ccc(NC(=O)c3ccccc3C(F)(F)F)cc2)nc(N2CCCC2)n1 49028120 FQLYKCUBVLFHEW-UHFFFAOYSA-N 441.457 5.400 0 40 IKAB NC(=O)c1ccc(-c2nc(COC(=O)Cc3coc4ccc5ccccc5c34)cs2)cc1 63905482 WFBMRCVNCDUSSU-UHFFFAOYSA-N 442.496 5.094 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2ccsc2c1=O 67209117 ZFOQBKISJYHRBC-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB COc1ccc(OC)c(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 67297132 OYGBERQNPMNAEH-SGEDCAFJSA-N 428.488 5.552 0 40 IKAB C[C@H](c1cccc(-c2ccncc2)c1)N(C)C(=O)c1cccc(NC(=O)c2cccs2)c1 72295516 BGEAKLWCPWMSNI-GOSISDBHSA-N 441.556 5.896 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 87493044 UBUHIKQRNDOKCZ-ZMJMXESOSA-N 442.728 7.140 0 40 IKAB Cc1cc(C)cc(Nc2cnn(C34C[C@H]5C[C@@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c1 100559689 ZQIUCBGTKRLCMI-GAAJCNLQSA-N 441.959 5.027 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc(F)cc1 101008937 ARDADIUTSHCDKZ-OAQYLSRUSA-N 445.885 5.379 0 40 IKAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1Cl 107544918 AABUHQCIBQVHNI-UHFFFAOYSA-N 445.371 5.156 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1-c1cc2cc(Cl)ccc2o1 108007585 QWRBZADZQGXFPC-UHFFFAOYSA-N 430.892 5.235 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)C4CCCCC4)CC[C@@H]32)C1 118932267 UCQQTYPFMHIJRO-MAIKWSJFSA-N 444.656 6.453 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218990316 WCQBQTULGWNJBN-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223390927 TUFURPPUYJPGMS-QFIPXVFZSA-N 429.004 5.221 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395874 VDLIEKXWRNHCLM-RPBOFIJWSA-N 440.572 5.054 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223442762 RHSFCYOOZOIUDG-NRFANRHFSA-N 432.967 5.134 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 223693118 FCXULPSXTZKLAW-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223695921 KIDBLNSIPMJEGJ-HSZRJFAPSA-N 429.004 5.305 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223770585 WZQBYYIUPUMQOK-JOCHJYFZSA-N 444.641 5.140 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)c1 224247533 WSTUOCQLXXCKMU-RPWUZVMVSA-N 445.975 6.481 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224270090 VUNAEDQCMAJYAX-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2cccc3ccccc23)c1 224306345 HMCLGLIBNWYTSQ-UHFFFAOYSA-N 427.500 5.366 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 224425811 JJZIFIIYAZWQFL-LJQANCHMSA-N 449.595 5.892 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 224438125 JGBZDDQJHOAACP-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(C(C)(C)C)cc1 224519986 ISZLYLSPOQXACW-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1Cl 224964493 IJQYQTGXBDJURZ-RTWAWAEBSA-N 426.973 5.303 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc3c(c2)oc2ccccc23)cc1NC(C)=O 225151180 QDQDDFNZJRSSKQ-UHFFFAOYSA-N 426.519 5.067 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225297936 WUGUIKRVEULIPN-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)[nH]1 255931616 FJPVTSHEKJJTBP-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(C(=O)C(C)(C)C)CC1 257200574 ADVVWJOEEDZDAC-UHFFFAOYSA-N 434.624 5.384 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)O2 257240111 HSCMCGWUOLWHSE-MHZLTWQESA-N 426.516 5.375 0 40 IKAB CCCn1cc(CCC(=O)N(CCC(=O)O)CCc2cccc(Cl)c2)c2ccccc21 257289675 PZSHQMDHVMAENC-UHFFFAOYSA-N 440.971 5.183 0 40 IKAB O[C@@H]1[C@H](NCc2ccccc2)CCCC[C@H]1N(Cc1ccccc1)Cc1ccc(Cl)cc1 257300133 RTALXBPVOXTGKA-JCYYIGJDSA-N 449.038 5.804 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)Nc3cccc(Cl)c3)cc2)c1 408544599 HYEYCKWPPBBYJW-UHFFFAOYSA-N 429.929 5.402 0 40 IKAB COc1ccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408576758 QYSXKWKTMNEUEA-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1 408591515 IONHHDUTOMPXBT-UHFFFAOYSA-N 449.882 5.033 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1Oc1ccccc1)N1c2cccc3cccc(c23)S1(=O)=O 408602117 CJBFWENYGYSOCU-KRWDZBQOSA-N 444.512 5.168 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 408662477 RPGFUBWZWNSBSM-VUEDXXQZSA-N 446.330 5.020 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1ccccc1Cl 408923820 GXZXZDUNDGQMGW-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409010249 BFMFNDXTXZTTOS-SYXCRGJESA-N 447.556 6.262 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409016927 UITLHNPUYOHFPU-SLDJAQPHSA-N 445.968 6.071 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc(F)c2)cc1Cl 409112823 DFUGJDMOLNNNNG-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c1 409116501 PLTAOGJSAQZYAS-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2)c1 409249124 IOCQLMFFCCWEAL-UHFFFAOYSA-N 438.527 6.417 0 40 IKAB COc1ccc(C(=C(c2ccc(C=O)cc2)c2ccc(C=O)cc2)c2ccc(OC)cc2)cc1 1857794436 DPYMRWSLKXBEBF-UHFFFAOYSA-N 448.518 6.336 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4C)c(N)c3cc2C1 661748 WJAQEONOXCDKDE-LBPRGKRZSA-N 444.398 5.717 0 40 IKAB Cn1c(SCc2ccc(Cl)cc2)nnc1-c1cccc(NC(=O)c2ccccc2)c1 680657 KQYTXYJZTOLOCO-UHFFFAOYSA-N 434.952 5.680 0 40 IKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc2ccccc12 786914 NMMPNPMKXIZWAL-UHFFFAOYSA-N 445.592 5.411 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1 989839 QAOLECUIZWAQDW-HHHXNRCGSA-N 447.962 5.645 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 999451 WHLYQWVLMOSFKL-WFASDCNBSA-N 428.773 5.181 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@@H](C(C)C)OC3 1746556 TYTWZJWNOZULHL-SFHVURJKSA-N 428.623 5.745 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)c1cccc(Cl)c1 1775126 WGFHARTURDLOTP-UHFFFAOYSA-N 427.239 6.111 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3Cl)c2NC(=O)c2ccccc2C)cc1 2196366 UGIHAPLSDBIPGV-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB CC1=CC(C)(C)N([C@H](C(=O)Oc2ccccc2)C(Cl)(Cl)Cl)c2cc(C)ccc21 2270930 CVWKXUHVOGTPHL-LJQANCHMSA-N 438.782 6.341 0 40 IKAB CCOC(=O)c1c(N)n(-c2ccc3c(c2)c2ccccc2n3CC)c2nc3ccccc3nc12 2277013 DMJCBHWYVKYYPX-UHFFFAOYSA-N 449.514 5.460 0 40 IKAB COc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccccc2)cc1 2445854 DCCQIRPWIIHVEI-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CC(C)Oc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1 2447173 KNPCFZQMRZUWSB-MUUNZHRXSA-N 435.583 6.712 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H]2CCCc3ccccc32)cc1 2663689 AANDXKCPSIULLW-DEOSSOPVSA-N 438.596 6.522 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NCc4ccccc4)ncnc32)c1 2714839 LIDMXWDPIOZFKD-UHFFFAOYSA-N 444.460 6.718 0 40 IKAB O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 3223534 JYLBXDKXZAEMSH-DEDYPNTBSA-N 442.824 5.999 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)c1ccc(C(F)(F)F)cc1)CC2 3227800 GAQHNQNBVRGGNI-NRFANRHFSA-N 447.478 5.572 0 40 IKAB CCOC(=O)c1c(NC(=O)CN2CCCCCC2)sc(Cl)c1-c1ccc(C)cc1 3270706 UKPQHFIBAQSIDM-UHFFFAOYSA-N 434.989 5.368 0 40 IKAB CCCCCCSc1nnc(COc2cccc3ccccc23)n1-c1ccc(OC)cc1 6077867 VUWCDFOJPVRMQO-UHFFFAOYSA-N 447.604 6.681 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 6135482 ACDRKZFCRUIOLK-UHFFFAOYSA-N 433.621 5.849 0 40 IKAB Clc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=Nc2ccccc2S1 8411638 CDIIOLDSPVZPFK-OAQYLSRUSA-N 428.782 7.460 0 40 IKAB O=C(Nc1cccc(-c2nc3cccnc3s2)c1)C1c2ccccc2Oc2ccccc21 8685251 BYHBKQJVCFNNRU-UHFFFAOYSA-N 435.508 6.235 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCc1nc2ccccc2n1-c1ccccc1 8686140 NUOQDPHFZVXODB-UHFFFAOYSA-N 447.922 5.102 0 40 IKAB c1coc([C@@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)c1 8694705 QBYFTZBSRDVXJN-NRFANRHFSA-N 427.554 6.974 0 40 IKAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc4c(c3)c3ccccc3n4C)NC(=O)CCN21 8740331 QQAASYYAXUSHPT-UCCVUAKISA-N 435.571 5.667 0 40 IKAB biogenic COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)C)cc2)cc1 8763594 WFMOGQHPUBZYPQ-RPLLCQBOSA-N 428.532 6.070 0 40 IKAB Cc1ccc(S(=O)(=O)n2ccc(-c3ccccc3OCc3ccc(Cl)cc3)n2)cc1 8888408 QPKNGXBKHMAHDL-UHFFFAOYSA-N 438.936 5.328 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@@H]2CCCO2)cc1 8901727 OLNSYDRUYBXUPM-INIZCTEOSA-N 442.997 5.680 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1OCc1ccccc1 9144707 CQVHXOMFABOIFE-HNNXBMFYSA-N 432.545 5.364 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)n2)c1 9184175 SIPHSIQMOZNKKS-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 9186982 JVHQIBCVGQZYRW-UHFFFAOYSA-N 447.970 6.358 0 40 IKAB COc1cc2[nH]c(C(=O)N(Cc3ccccc3)Cc3ccccc3)cc2c(OC)c1OC 9215863 NJZMWBAILJLACX-UHFFFAOYSA-N 430.504 5.036 0 40 IKAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)nc3[nH]nc(-c4ccc(C)cc4)c23)cc1 9228175 XURDSCCNXFUXQL-UHFFFAOYSA-N 446.554 6.147 0 40 IKAB CCCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 9409275 YAEKDSJXZKZLSM-AREMUKBSSA-N 447.579 6.087 0 40 IKAB CCCN(Cc1ccc(C)cc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 9580854 UGTQTRRWLFJKRT-UHFFFAOYSA-N 426.611 5.181 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@H](C)Oc2ccccc2F)o1 9580874 MQQOTKMBSLWEGF-KBPBESRZSA-N 425.485 5.502 0 40 IKAB CCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2ccc(Br)cc2)cs1 9606936 KMIPNKKAVXNQPI-UHFFFAOYSA-N 430.371 6.248 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c1 9659769 UJPURPALXZVUJK-UHFFFAOYSA-N 433.504 5.249 0 40 IKAB Cc1cc2c(=O)n(Cc3ccco3)c(SCC(=O)c3ccc(Cl)cc3)nc2s1 10024406 KRVDCHDLQJGFMZ-UHFFFAOYSA-N 430.938 5.036 0 40 IKAB Cc1cc(Cl)cc2sc(N(CCCn3ccnc3)C(=O)/C=C/c3cccs3)nc12 10381628 MJRJEEVUVWOYHK-AATRIKPKSA-N 442.997 5.653 0 40 IKAB CCC[C@@H](NCc1cc(Cl)cc(Cl)c1OCc1ccc(C)cc1)c1ccccc1 10436333 VRHRIBVDGGWXSF-XMMPIXPASA-N 428.403 7.512 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196572 BDXPVCDDWVGIKZ-RCZVLFRGSA-N 436.458 5.614 0 40 IKAB Cc1noc(C)c1C(=O)N1CCCC[C@@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12230062 NZBFKENMPZZZKX-OAHLLOKOSA-N 449.477 5.018 0 40 IKAB S=C(Nc1ccccc1Cl)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878386 UUOLJUDPRGNMCD-UHFFFAOYSA-N 449.432 5.636 0 40 IKAB CCCc1cc(=O)oc2cc(OC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc12 12944281 KGOVGHPTDLBURZ-UHFFFAOYSA-N 437.879 5.592 0 40 IKAB CC(C)(C)P(=NC(=S)NCc1ccccc1)(N1CCCCCC1)N1CCCCCC1 13304364 OPWDGTZMJQGKCE-UHFFFAOYSA-N 448.661 6.643 0 40 IKAB CC(C)(C)OC(=O)NCCCCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 13514110 MZPVCQSBIFVLBR-UHFFFAOYSA-N 446.400 5.906 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1cccnc1)N(Cc1ccccc1)Cc1ccc(Cl)cc1 13561865 HZTURXGBUQKPBZ-QHCPKHFHSA-N 446.986 5.268 0 40 IKAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3cccc4ccccc34)c(C)nn2c1C 13635737 TXCLIYYTIPSXFT-UHFFFAOYSA-N 437.503 5.131 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1CCc1ccccc1 13688408 BETPSJMEHLXAPR-UHFFFAOYSA-N 426.560 5.740 0 40 IKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C\c1ccc(OCc2ccc(F)cc2)cc1 13928816 UBSPGNIYXPKORG-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB Cc1c(NC(=O)Nc2ccc(Cl)cc2)cccc1NC(=O)Nc1ccc(Cl)cc1 16250086 IRKTWRFHJIACCB-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB CCCCCCNCc1cc(Br)c(OCc2ccc(F)cc2)c(OCC)c1 16638154 XCYZXOQLHDBFHJ-UHFFFAOYSA-N 438.381 6.236 0 40 IKAB Cc1sc2c(c1C)c(=O)nc1n2[C@H](c2ccccc2)[C@@H](Sc2ccccc2)CS1 16779184 FPHWAICXXZYOFX-AZUAARDMSA-N 436.627 5.931 0 40 IKAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)COc1ccc(Cl)cc1C 17096695 MINCZBLICRYZKG-UHFFFAOYSA-N 429.925 5.489 0 40 IKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Br)cc1Cl 19628220 WRTZPINSIUFKBE-UHFFFAOYSA-N 444.803 5.599 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)CCc3nc4ccccc4[nH]3)CC2)n1 19691231 ULWYXNLSWYGTGN-UHFFFAOYSA-N 442.538 5.411 0 40 IKAB CCOC(=O)c1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)ccc1Cl 20108172 FOVXWLKZYPIOIC-XMHGGMMESA-N 440.326 6.349 0 40 IKAB COc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2CC(=O)c2ccc(Cl)cc2)cc1 20248337 VWQUOYJZNLMPRI-SANMLTNESA-N 430.935 5.660 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20452989 DIHAVTFLUYWUDY-HSZRJFAPSA-N 443.971 6.245 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3ccc(F)cc3)CC2)N=C1c1ccc(C)c(C)c1 20578175 DMAKMZWHAJJCFO-UHFFFAOYSA-N 438.572 5.421 0 40 IKAB O=C(c1ccccc1)N1CCCc2cc(S(=O)(=O)Nc3cccc4ccccc34)ccc21 20765651 QOVITBUFGTYOTA-UHFFFAOYSA-N 442.540 5.234 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1cccc(Cl)c1Cl 21902296 DVIGBRAYRPVUQY-UHFFFAOYSA-N 438.229 5.055 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 22274938 KLMQZTJTLGWQKH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1nc(-c2cc3ccccc3o2)cs1)NC(c1ccccc1)c1ccccc1 22479675 DYFVEZRXDGKSPF-UHFFFAOYSA-N 425.513 6.467 0 40 IKAB CCc1ccc(S(=O)(=O)c2cnc3ccc(C)cc3c2NCc2ccc(F)cc2)cc1 23109790 VNDZOJABAVPFKD-UHFFFAOYSA-N 434.536 5.690 0 40 IKAB O=C(OCc1ccccc1)c1ccc(Cn2nc(-c3ccccc3)c3ccccc3c2=O)cc1 24522843 JXVIUECJXFGGLQ-UHFFFAOYSA-N 446.506 5.469 0 40 IKAB O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N(Cc1ccco1)Cc1ccccc1F 28287179 TXDACNXAYYVPNC-UHFFFAOYSA-N 444.289 6.828 0 40 IKAB COc1ccc(C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1Cl 32126860 UVOLYKHCPGYUGM-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3)sc2c1 33000671 GTQDZUAXJVSNBN-UHFFFAOYSA-N 433.986 5.809 0 40 IKAB COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)c1 33022136 YNJCLSBRPJDHOH-UHFFFAOYSA-N 448.548 5.627 0 40 IKAB CCCOc1c(I)cc(CNc2cccc(Cl)c2)cc1OCC 33397971 QJQMUEURKPWJNV-UHFFFAOYSA-N 445.728 5.744 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C(=O)C[C@H]2C1 34326225 GPYWHLREAIMALG-KIWQIYPESA-N 444.700 7.218 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Br)cc(Br)c1OCC 34868867 XNXWQGBJTVNRIO-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB COc1ccc(-n2c(-c3ccc(C)cc3)nc3c(sc4nc(C)cc(C)c43)c2=O)cc1 35686390 GLZYKBOFHOMFLF-UHFFFAOYSA-N 427.529 5.596 0 40 IKAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 40069869 AUVHXDGLEOMMAN-CQSZACIVSA-N 433.335 5.809 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 44855380 OSQBIMJNFHSKLU-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccco2)cc1 57528343 DHZATYIUZSPYGH-UHFFFAOYSA-N 447.560 5.111 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cccc(Cl)c1N1CCCC1 59294606 QTGBALWJFPEYHH-UHFFFAOYSA-N 437.765 5.499 0 40 IKAB COc1ccc(NC(=O)c2sc(-c3cn(C(C)C)c4ncccc34)nc2C)cc1OC 65240921 OWKPUKZLIFZCLW-UHFFFAOYSA-N 436.537 5.319 0 40 IKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 71288427 CYHSNYICSNZZRB-KOSHJBKYSA-N 447.579 5.325 0 40 IKAB O=C(Nc1cccc(C2SCCCS2)c1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 84374364 ODBLYDLOPXMDGU-AWEZNQCLSA-N 425.000 5.402 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ncc(-c2cccc(Cl)c2)o1 89662090 GCSKBMGZXBBUQY-PMACEKPBSA-N 445.991 5.749 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccccc3Cc3nc(-c4cccs4)no3)oc12 96119724 UNJAQAPYFUZDHM-UHFFFAOYSA-N 431.473 5.396 0 40 IKAB COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Cl)cc4Cl)cc23)c1 96184097 HROLNOHTXGVKBA-UHFFFAOYSA-N 427.283 6.558 0 40 IKAB COc1ccc(C2(C(=O)N[C@@H]3CCCc4c3[nH]c3ccc(Cl)cc43)CCOCC2)cc1 96231588 VCJRPCHCNZWORW-JOCHJYFZSA-N 438.955 5.072 0 40 IKAB COc1ccc([C@@H]2C=C(c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 102795062 OBJQEFCPQKPOSN-QFIPXVFZSA-N 432.321 5.863 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1 108277390 PWQUBWUPSWJDMT-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OC(C)=O 214841325 MDZHTGFGUOHBPQ-OEAKJJBVSA-N 447.512 5.400 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3cccc4ccccc34)c2C)cc1 222855131 KQPBCKDBJOMNDR-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076251 PLZWNNFVXYCIQV-UHFFFAOYSA-N 440.930 6.339 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223792419 IQRXZIWDIBOTGV-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223825741 SACWAHZQQXPXCP-JWQCQUIFSA-N 446.620 5.964 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C)c(Cl)c2)cc1 224238561 OXQBOTBBXWUOKO-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 224910819 FSNWZKMZRIXSOY-UHFFFAOYSA-N 428.444 5.041 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 225640265 MWWDKQSVGRLNEG-UGKGYDQZSA-N 445.003 5.058 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CSc3ccccc3)cc2)c2ccccc2O1 225714111 YKBXCNOAQOQPMW-XMMPIXPASA-N 431.601 6.791 0 40 IKAB FC(F)(F)c1cc(N2CCc3ccccc3C2)nc(NC(=S)NC2CCCCCC2)n1 226011195 XBHREWRWWHPQDJ-UHFFFAOYSA-N 449.546 5.067 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(Cl)ccc2OC)n(CC)c1-c1ccc(Cl)cc1 408563261 UZUNNAILKZLNSR-LVWGJNHUSA-N 449.403 6.246 0 40 IKAB CCc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1 408606892 MNFZKJYWMONKLM-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)c1 408615263 ODRIRCYQTPMICC-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB CCc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)o1 408630754 CLUQYHREOLIXFY-ODLFYWEKSA-N 439.924 5.506 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2ccc3ccccc3c2)cc1 408726620 SDDXMHGYUOHRNX-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)oc1ccccc12 408999939 UPAQQZAMVDKYNA-XMMPIXPASA-N 434.495 6.086 0 40 IKAB O=C(Oc1ccc2ccccc2c1)c1ccc(COc2ccc(Br)cc2)cc1 409179269 OIYHVKLQIJRWMV-UHFFFAOYSA-N 433.301 6.401 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 409192502 YBRYAFUZZZHXLW-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB CCn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1[C@@H](C)Oc1ccccc1 409340571 ZLYRKDNHZPBBJS-QGZVFWFLSA-N 432.549 5.322 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1Cl 409410726 OXPIGCQVWSKICB-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1cnc(Nc2cccc([C@H]3CCCN(Cc4c(C)nc5c(C)cccn45)C3)n2)s1 585262647 OHNLQDUCCABVGU-IBGZPJMESA-N 432.597 5.234 0 40 IKAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)n1 585263290 ANXFWZGWPIHKHF-CQSZACIVSA-N 445.951 5.106 0 40 IKAB Cc1noc(C)c1CSc1nc2ccccc2c(=O)n1CCc1ccc(Cl)cc1 651300539 RWZJQPPOWPIEQS-UHFFFAOYSA-N 425.941 5.190 0 40 IKAB O=C(c1cc(-c2ccc(Br)cc2)nc2ccccc12)N1CCc2ccccc21 668792 RXPLFAHGFYEXBP-UHFFFAOYSA-N 429.317 5.867 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1C 863710 JISWJEQJCPXMTB-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(C(F)(F)F)c4)c23)C1 873234 BVEGDEZRHFFXNH-LLVKDONJSA-N 437.512 5.566 0 40 IKAB CCc1c(C)sc(NC(=O)c2cc(-c3ccc(C)s3)nc3ccccc23)c1C(N)=O 1084394 JYVYPTNNVUAFIP-UHFFFAOYSA-N 435.574 5.555 0 40 IKAB O=C(CSc1nc(Cc2ccccc2)nc2ccccc12)Nc1nc2c(s1)CCCC2 1342637 HBXHOTRMRIBBHZ-UHFFFAOYSA-N 446.601 5.287 0 40 IKAB COc1ccc2c(COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3)cc(=O)oc2c1 1447982 MBNUDZBOVNEINV-UHFFFAOYSA-N 440.451 5.462 0 40 IKAB biogenic COc1ccc(S(=O)(=O)n2nc(C)c(Sc3ccccc3)c2-c2ccccc2)cc1 1471326 HPEPFKXTVONCQC-UHFFFAOYSA-N 436.558 5.255 0 40 IKAB O=S(=O)(c1ccccc1)[C@H](SC(=S)Sc1ccccc1)Sc1ccccc1 1562787 FVLCEMAJBZYOKD-FQEVSTJZSA-N 448.681 6.347 0 40 IKAB OC(C[C@@H](c1ccccc1)c1ccc(Br)cc1)(c1ccccc1)c1ccccc1 1646504 IGTRPQBHALXQBU-SANMLTNESA-N 443.384 6.907 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1)c1ccc(Cl)cc1 1772403 PDDNKDDNGRKISC-UHFFFAOYSA-N 442.854 6.611 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@@H]2CCCC[C@H]2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 2134898 QUCBRXBTRUSUBQ-DNQXCXABSA-N 434.624 5.753 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)c1 2168962 BVEFKPPKUAOLCS-UHFFFAOYSA-N 431.561 5.609 0 40 IKAB Cc1cc(C)c(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(Cl)c1 2304257 FURQPQXFAFCSJG-UHFFFAOYSA-N 439.342 6.066 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1CC 2443056 GLUULVQEWMQKSD-UHFFFAOYSA-N 438.597 5.392 0 40 IKAB O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccc(Oc2ccccc2)cc1 2644063 QJQBVUSRGHIAQX-UHFFFAOYSA-N 432.501 5.013 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1 2666284 AIWDHALZIAUMJG-JLHYYAGUSA-N 425.465 5.689 0 40 IKAB Cc1cc(C)n(-c2nc(Nc3ccc(Cl)cc3)nc(Nc3ccc(Cl)cc3)n2)n1 2771330 UBBGXUPORHBOEW-UHFFFAOYSA-N 426.311 5.468 0 40 IKAB CC(C)(C)[P@](=O)(Oc1ccc(Br)cc1Br)c1ccncc1 3193288 VRUWRAUVFVZDFE-OAQYLSRUSA-N 433.080 5.388 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@H](Nc1ccc2c(c1)OCO2)c1ccccc1 3346780 WAALIUQVBJRECP-HXUWFJFHSA-N 448.828 5.879 0 40 IKAB S=c1n(CN2CC=C(c3ccccc3)CC2)nc(-c2cccs2)n1C[C@H]1CCCO1 3433663 BNURJPLYKRVXGB-HXUWFJFHSA-N 438.622 5.068 0 40 IKAB CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 5496666 JFSHUTJDVKUMTJ-NCMAIKCASA-N 426.729 8.169 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3[nH]c2=O)C2CCCCC2)cc1 6134862 NVCROJJEFBDUPB-UHFFFAOYSA-N 433.621 5.931 0 40 IKAB COc1cc(Br)cc2c1O[C@H](c1cccc(F)c1)N1N=C(c3ccco3)C[C@H]21 8717618 GAWJMJYFQHTHOO-DYESRHJHSA-N 443.272 5.432 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2c1CCCCC2 8832477 WJWVEDIYAHNFQD-UHFFFAOYSA-N 449.359 5.935 0 40 IKAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 8922889 YWLOYUQWINBZNJ-HHHXNRCGSA-N 447.962 5.608 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccn2)cc1 9211021 SSZZVTGROPATNC-JOCHJYFZSA-N 430.891 5.715 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccccc1F 9428525 RFKNKFCMOQYNLL-UHFFFAOYSA-N 427.229 5.354 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)C1CCCCC1 9492181 HUZGBBJCEOZVOQ-UHFFFAOYSA-N 438.572 5.016 0 40 IKAB CCOc1ccc2ncc(C(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)cc3)c2c1 9847443 QYTVWUQLEYVGGH-UHFFFAOYSA-N 445.540 5.314 0 40 IKAB Cc1ccccc1-n1c(S[C@H]2CCCCNC2=O)nnc1-c1ccc(Cl)cc1Cl 10990165 AZRMGMMVNBUFDG-SFHVURJKSA-N 447.391 5.310 0 40 IKAB CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 12659314 KNVZQJYTFCLEGY-XAYXJRQQSA-N 445.515 6.071 0 40 IKAB biogenic O=C(NCc1cccc(C(F)(F)F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12683482 FUYJGALAKQDMDT-UHFFFAOYSA-N 447.766 5.493 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3cccc(Cl)c3Cl)C[C@H]12 12719731 ANTLLZHQDMIOLB-VDIJFGEVSA-N 447.446 6.959 0 40 IKAB biogenic CC(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(CSc4ccccc4)o3)n2)cc1 13012261 YOUBGCPOCKJLSI-UHFFFAOYSA-N 449.557 5.906 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)OCC(=O)Nc3ccc(F)cc3)c2c1 13016803 IDQVGMZBFUDMAR-UHFFFAOYSA-N 436.508 5.458 0 40 IKAB COc1ccc([C@@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)cc1 13059199 PQWNWEOGDLTBHB-QHCPKHFHSA-N 436.577 5.047 0 40 IKAB COc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)CSc1ccc(-c2ccccc2)nn1 13086620 UUXZEQGMOQOIMF-KRWDZBQOSA-N 433.577 5.563 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccn3)n2Cc2ccccc2)c(C)c1 13513389 KZPFOILFBWXIRW-UHFFFAOYSA-N 443.576 5.044 0 40 IKAB COc1ccc(CCN(Cc2ccncc2)Cc2cccc(Cl)c2Cl)cc1OC 13989511 GZCZTBMNANILFA-UHFFFAOYSA-N 431.363 5.651 0 40 IKAB Cc1ccc2c(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c(C)[nH]c2c1 13992038 DKCMGBRRDJRSBJ-UHFFFAOYSA-N 430.489 5.465 0 40 IKAB Cc1ccc(Oc2nc(CN3CCOCC3)nc3sc(C)c(C)c23)c(Br)c1 15129654 NINBRBJNAQYWDJ-UHFFFAOYSA-N 448.386 5.004 0 40 IKAB NC(=O)[C@@H](OC(=O)c1cccc(CSc2ccc(Cl)cc2)c1)c1ccc(F)cc1 15518838 CHAMSLJROOAZDV-FQEVSTJZSA-N 429.900 5.155 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNCc2ccccc2Cl)c(Cl)c1 16449714 FCMGZGBDNNPPQD-UHFFFAOYSA-N 441.185 7.169 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(-c2ccccc2)cc1 16493030 ZPYQSBXJAWGWNB-UHFFFAOYSA-N 447.559 7.651 0 40 IKAB C[C@H]1CN(C(=S)Nc2ccc(Cl)cc2)CCN1C(=S)Nc1ccc(Cl)cc1 16609620 FOHGQFNISHKTEX-ZDUSSCGKSA-N 439.437 5.093 0 40 IKAB CCOc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2C)cc1 16944190 HIUUBPUKSMOAPZ-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2cccc3ccccc23)cs1 17094323 RKTWLLTUTIUFFT-PKNBQFBNSA-N 425.340 6.922 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c(F)c1F 17097207 OPIADLGTYLYQQT-UHFFFAOYSA-N 430.829 5.394 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)c(I)cc1C 17097349 RVROOTRWMYBCOX-UHFFFAOYSA-N 431.273 5.322 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 17100894 ONDBLNYLNANBBQ-UHFFFAOYSA-N 436.924 5.019 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]2c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)cs1 19571795 LFDPTGORKJINSW-QFIPXVFZSA-N 441.560 5.629 0 40 IKAB COc1ccc2[nH]c3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)ncnc3c2c1 20024770 BZCKOOLVUIRSAN-UHFFFAOYSA-N 449.558 5.031 0 40 IKAB COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1ccccc1F 22074187 WIFIVMIGEPWVTQ-MRXNPFEDSA-N 444.344 6.027 0 40 IKAB C[C@@H]1CCCN([C@@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C1 22851934 SGWQTDWZVKVZQO-DYVFJYSZSA-N 428.945 5.231 0 40 IKAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1cccc(Cl)c1Cl 24763141 JEFZBJJADOWVFQ-NSHDSACASA-N 434.348 5.744 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)cc1 25480297 VBMWNXJEBZBPHG-OAQYLSRUSA-N 449.598 6.559 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(C(C)C)cc2)cc1 28287227 CTSZAAGKNNGVNP-UHFFFAOYSA-N 442.515 5.998 0 40 IKAB O=c1c2ccccc2nc(SCc2ncc(-c3cccc(Cl)c3)o2)n1Cc1ccco1 32668402 XOJSDEQSHBJMRV-UHFFFAOYSA-N 449.919 5.639 0 40 IKAB COc1ccc(-c2nc(CSc3nc(CCC4CCCC4)n[nH]3)cs2)cc1OC 32883971 FQOLRDXVLVXYRY-UHFFFAOYSA-N 430.599 5.361 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccc(OCc2ccccc2Cl)cc1 33710944 JVAFFSIOPYEOTE-OAQYLSRUSA-N 440.952 5.687 0 40 IKAB O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCC(Cc2ccccc2)CC1 40373145 RMJLQRSZYAFFRM-NDEPHWFRSA-N 429.604 5.151 0 40 IKAB COCc1nn2c(ncc3c(=O)n(C4CCCCCC4)ccc32)c1-c1ccc(Cl)cc1 40397807 ZKOFLIDHURJQBC-UHFFFAOYSA-N 436.943 5.406 0 40 IKAB O=C(NCCC1=CCCCC1)c1sc2c(cnc3ccccc32)c1-c1ccc(Cl)cc1 45943864 IFBYVBONUFCVDJ-UHFFFAOYSA-N 447.003 7.390 0 40 IKAB CC(C)(C)c1ccc(OCCn2c3ccccc3n3c(=O)c(-c4cccs4)nnc23)cc1 51325916 FFSKGRYXAORXRZ-UHFFFAOYSA-N 444.560 5.149 0 40 IKAB Cc1cccc(Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)c1 67260421 UMXHDTNSQHDUSK-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB CCOc1cc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)ccc1OCc1ccccc1F 89991002 QQAWKEOQVSLAAB-LPYMAVHISA-N 447.462 5.157 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)c2ccccc12 95472001 MOTRKTXPFHIYAQ-UHFFFAOYSA-N 449.963 6.080 0 40 IKAB COc1ccc2[nH]cc(CCNC(=O)C[C@@H](Cn3cccc3)c3ccc(Cl)cc3)c2c1 96232542 ZYNXQBOTDMUKML-FQEVSTJZSA-N 435.955 5.164 0 40 IKAB O=C(NCc1ccc(F)cc1)c1nnc(/C(Cl)=C/c2ccc(Cl)nc2Cl)s1 97102593 ARRLIMAOTODWBQ-GHXNOFRVSA-N 443.718 5.046 0 40 IKAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(Br)c(C(F)(F)F)c1 98072740 CBTMYWQUXRTCHW-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3ccc(F)cc3)C2=C(O)C1 104156035 JWAUUZZJFWSNDS-HXUWFJFHSA-N 432.417 6.181 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1cccc(Cl)c1 107024817 PPCSHXOZBQUJQH-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222747544 VMVARPLFKOHGDR-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1C 223450778 LUUDKXZMQHBGBF-KRWDZBQOSA-N 432.402 5.928 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 223704548 ZYMPMJAUOBQQLA-QHCPKHFHSA-N 426.626 5.201 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1C 224277176 RVNCZFMRRYEUAO-DQEYMECFSA-N 440.572 5.372 0 40 IKAB COc1ccc(/C=C(/C(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)cc1 224317660 PJDDPLAQSYAKBM-LHLOQNFPSA-N 427.544 5.100 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1cccc(Cl)c1 224486477 BOBUAEHTSDJRFY-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3ccccc3)o2)cc1 224863038 TXXSPGHRIABZJE-UHFFFAOYSA-N 426.516 5.579 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccccc1C(C)C 225168630 CQPKFVBSDQWFHI-RBUKOAKNSA-N 445.003 5.174 0 40 IKAB O=C(c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1)N1CCCCC1 225289020 BVVJUDPOLWTRIP-UHFFFAOYSA-N 434.030 5.045 0 40 IKAB S=C(NCCCc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 225543952 NCVUIUSMZIYRRS-UHFFFAOYSA-N 427.038 6.552 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 225546919 TYSFXDXAHOFZBB-IBGZPJMESA-N 443.031 5.512 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225695555 RJQWRVKEIRCFRX-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F 225955433 FVBRTTBYINASGK-UHFFFAOYSA-N 439.905 6.987 0 40 IKAB Cc1ccc(Oc2ccccc2C(=O)N(CC(=O)O)Cc2ccc3c(c2)CC(C)(C)O3)cc1 257247091 IXJRLTHQAXIDDX-UHFFFAOYSA-N 445.515 5.228 0 40 IKAB COc1cccc([C@H]2C[C@@](C)(NC(=O)C(C)C)[C@@H]3CC[C@@H](C)C[C@H]3O2)c1OC(F)F 257284147 PBJNTXWTLAUVFB-QZOAIXELSA-N 425.516 5.094 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)C2)n1 257289821 QAHWDNBPMOAHQT-CVDCTZTESA-N 443.522 5.028 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257347673 PMJBQFRZSVOFFB-DCAAWHKGSA-N 448.644 5.137 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 260772303 NHRWOYZUSOUURW-WTNAPCKOSA-N 437.653 6.362 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 408639172 VUHYLSSRXNYVTA-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2ccc(F)cc2)c1 408696923 GHAOLSGAUOFRNW-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)c1C 408696988 DFQNZZXPYWOSRK-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3cccc(C)c3)n2)c1 408700116 YWZJTXSGKKPJIN-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CC1CCN(C(=O)Nc2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)CC1 408977395 DCYONCNHDADLJS-UHFFFAOYSA-N 434.590 6.351 0 40 IKAB Clc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 409095506 CXPBQRLYORXWRX-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB CCOc1cc(CNc2ccccc2C)ccc1OCc1ccc(Br)cc1 409120701 VTAVCKZBGHWWCH-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CC[C@H](O)c3ccccc3)nc2-c2ccccc2)cc1 409207536 WEZGDMQQCRYBRJ-QFIPXVFZSA-N 428.557 6.238 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccc(Cl)cc1Cl 409329697 HCOVKSJDFGLKLJ-UHFFFAOYSA-N 433.191 6.871 0 40 IKAB O=C(O)c1cnc(N2CCC[C@H]2c2ccc(Cl)cc2)nc1Cc1ccc(F)cc1Cl 585266743 PGVRSGQFASEEIM-FQEVSTJZSA-N 446.309 5.553 0 40 IKAB CCOC(=O)c1cc(Cl)c(NC(=O)c2sc(-c3ccccc3)nc2C)cc1OC 1740799902 HXHOLWMTYKVSQQ-UHFFFAOYSA-N 430.913 5.210 0 40 IKAB Cc1ccc(C(=O)N2CCCCCCCCN(C(=O)CC(C)C)c3ccccc3C2)cc1 2037884965 MLJJFDQDEWRQQR-UHFFFAOYSA-N 434.624 6.371 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 720531 FXVNSTZPSHWZMB-VXKWHMMOSA-N 425.843 5.052 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1ncc(Cc2ccc(Br)cc2)s1 1751004 QWJOUKRYQSRWNO-JXMROGBWSA-N 433.758 5.802 0 40 IKAB COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCCCC2 2084455 MJDVIYHOXLBGME-UHFFFAOYSA-N 447.556 6.070 0 40 IKAB Fc1ccc(COc2ccc(CNc3ccc(Oc4ccccc4)cc3)cc2Cl)cc1 2093896 ARBNSRWYAUDOQP-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB O=C(c1ccccc1Cl)N(C(=O)c1ccccc1Cl)c1ccc(N2CCCC2)cc1 2224394 GOOQTWNJXPHLOR-UHFFFAOYSA-N 439.342 6.081 0 40 IKAB CSC1=NC2=NC3=C([C@@H](c4ccccc4)Oc4ccccc43)[C@@H](c3ccc(C)cc3)N2N1 2253435 ZCKRVNLUKYRHRJ-DNQXCXABSA-N 438.556 5.490 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4nc32)c1 2260151 CQVYTKLVOAUKBR-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@H](O)c2ccc(Cl)cc2Cl)cc1 2399517 PKROHIDRSCZJDZ-KMRXNPHXSA-N 442.323 6.003 0 40 IKAB O=C1CSC2=NC(c3ccccc3)=C[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)N12 2507056 JAJFUCMHCJEDDE-XMMPIXPASA-N 448.551 5.567 0 40 IKAB O=C(COc1ccc(C(=O)c2ccc(Cl)cc2)cc1)Nc1ccccc1OC(F)F 2650595 NKCWLVDUFSQCNU-UHFFFAOYSA-N 431.822 5.190 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)C3c4ccccc4Oc4ccccc43)c2C(=O)OC)C1 2754723 VRACOSVIUYIYCK-OAHLLOKOSA-N 447.556 5.926 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Oc2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 3351958 XCAGVDSOCBNECK-UHFFFAOYSA-N 449.450 5.342 0 40 IKAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(N2CCCC2=O)cc1 3364331 QMIZMBAIFQCJEW-UHFFFAOYSA-N 429.501 5.468 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCCCCCCNC(=O)c2ccc(C(C)(C)C)cc2)cc1 4677367 WTTWEJPFWWTSSA-UHFFFAOYSA-N 436.640 6.002 0 40 IKAB O=C(Nc1nc2c(F)c(F)c(F)cc2s1)c1cc(-c2ccncc2)nc2ccccc12 6191283 VJZVWSUECVMYMV-UHFFFAOYSA-N 436.418 5.576 0 40 IKAB CCC1=NN(C(=O)c2ccc(-c3ccccc3)cc2)[C@@](O)(c2ccc(Br)cc2)C1 8425391 COGMEKUTJZKSIN-DEOSSOPVSA-N 449.348 5.573 0 40 IKAB O=C1c2n[nH]c(-c3ccccc3O)c2[C@@H](c2ccc(Cl)cc2)N1CCc1ccccc1 8606543 JEJRMWYVHAWWRC-XMMPIXPASA-N 429.907 5.224 0 40 IKAB aggregator O=C(NCc1cn(-c2ccccc2)nc1-c1ccc2ccccc2c1)c1c(F)cccc1F 8873149 CFUGNRCXANORIP-UHFFFAOYSA-N 439.465 5.901 0 40 IKAB Cc1cccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1C 8875939 NUSGJUPDKMXLEY-UHFFFAOYSA-N 447.589 5.318 0 40 IKAB Nc1c(C(=O)NCc2ccccc2)sc2nc3c(c(-c4cccs4)c12)CCCCC3 9009813 ZETYGLDEKNOUIO-UHFFFAOYSA-N 433.602 5.806 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 9044510 LTTSOKCDENKPEV-GOSISDBHSA-N 444.354 5.187 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)n(C[C@H]3CCCO3)c2C)cc1 9114024 GWSQTMKXKRNSQO-BWKNWUBXSA-N 431.536 5.064 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 9125892 CZOLQTCRRNJBLK-QFIPXVFZSA-N 448.617 5.556 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc4ncc(Cl)cc4[nH]3)cs2)cc1OC 9126371 CZZUFJSTYYKHFH-UHFFFAOYSA-N 432.958 5.434 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@@H]2C1=O 9304730 LNTRJTHXPKASLK-GVAUOCQISA-N 440.543 5.344 0 40 IKAB COc1cccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2-c2ccccc2)c1 9307810 MICBCSADYPUNFR-UHFFFAOYSA-N 441.534 7.135 0 40 IKAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@H]1c1cccs1 9794809 SOASNYLUQCXJOC-HNNXBMFYSA-N 425.560 5.421 0 40 IKAB Fc1ccc(Nc2nc(Nc3ccc(F)c(Cl)c3)nc(N3CCCC3)n2)cc1Cl 10213438 CJUSDONWRTZAHJ-UHFFFAOYSA-N 437.281 5.544 0 40 IKAB c1ccc(COc2ccc([C@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN43)cc2)cc1 12275984 VDUBVYWQKRFDKU-XRKRLSELSA-N 432.523 6.508 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)c1ccccc1 12507119 FYLNSIVGQGIDKE-HSZRJFAPSA-N 447.991 5.850 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(C2SCCS2)cc1 12521954 XVZXMVSWWFGGDM-UHFFFAOYSA-N 438.540 6.037 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)c1cc(-c2cccs2)nc2ccccc12 12618416 BWCREFBIAXKDKR-UHFFFAOYSA-N 447.972 6.993 0 40 IKAB COCCn1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccc(Cl)cc1 12777491 KCMFKEBTVWFUDC-ZDUSSCGKSA-N 436.364 5.262 0 40 IKAB CN(C)c1nc(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)c(-c2ccccc2)n1 12949714 JARLYIJTDNWYSQ-UHFFFAOYSA-N 428.923 5.782 0 40 IKAB CC[C@@H](C)c1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 13121285 AIPRZFGKVNCZKX-OPAMFIHVSA-N 431.561 5.028 0 40 IKAB Cc1ccc(CN(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)cc1 13502414 RBVITUAUACUNEE-AREMUKBSSA-N 441.575 5.223 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CN2CCC[C@@H](c3nc4ccccc4s3)C2)cs1 14094922 GRMMDWILOIKYQZ-GOSISDBHSA-N 448.617 5.817 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(F)c3)ccc2Cl)c1 14154080 AYLZNEXFTIMIEI-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 16575624 SCDOBXAFNHJFMA-UHFFFAOYSA-N 430.533 5.144 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1cccc2c(Cl)cccc12 17097248 KRDARANNOLTYSM-UHFFFAOYSA-N 430.916 6.519 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(Cl)c4)nc3c2)cc1 17099258 LZUYJEWWGOIPJW-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2C)cc1 17146174 JVZXABNYVMXQFF-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5ccc(Br)cn5)(C4)C2)C3)cc1 18068123 CJWWQJMPLQYICM-WDXRGRCHSA-N 425.370 5.629 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)Cc3cc(C)ccc3OC)c2)cc1 19690665 UTGCRCYSGXOTTR-VWLOTQADSA-N 430.548 5.289 0 40 IKAB Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 20357502 WTDXSHNXEDCIFK-IAGOWNOFSA-N 433.343 5.027 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 20454175 NMDZTOZSZTULIA-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CC1=C(C(=O)Nc2cccc(Cl)c2)[C@H](c2cccc(C)c2)n2c(nc3ccccc32)N1 20970433 IQPXAYLMJNWCGU-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(c2ccc(-c3cccs3)nn2)CC1 21154566 GBNQRNWSDKXQNK-UHFFFAOYSA-N 432.471 5.079 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 24831874 OSFNWICCEFKZLS-MRXNPFEDSA-N 434.569 5.642 0 40 IKAB O=C(Cc1csc(N2CCCC2=O)n1)Nc1ccc(-c2cccc(C(F)(F)F)c2)cc1 24833955 XWRQUINSHQJXPO-UHFFFAOYSA-N 445.466 5.137 0 40 IKAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2SC[C@@H]2CCCO2)cs1 26884526 OCTZDAYDMRQWSA-IBGZPJMESA-N 436.602 5.593 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccc(CC)cc3)sc2c1 32119052 HRZZZQSUIJDXOV-UHFFFAOYSA-N 427.595 5.093 0 40 IKAB COc1ccc(OCC(=O)Nc2ccc(-c3nc(-c4ccc(Cl)cc4)no3)cc2)cc1 32623356 JOHBGHWZTOSSRY-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB COc1ccccc1OCC(=O)Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1 32623747 RHGQSMLFCVQNTP-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1cccc(/C=C(/C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c2cccs2)c1 32906939 CQYGZCMZGNWKAX-CJLVFECKSA-N 442.540 5.759 0 40 IKAB COc1ccc(NC(=O)CSc2nc(N3CCCCC3)nc3ccccc23)cc1Cl 33114721 LKIFOOBCQKHOMC-UHFFFAOYSA-N 442.972 5.013 0 40 IKAB COc1ccc(C(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)c(C)oc3c2)cc1 33555606 URNTXMODIRAFQE-UHFFFAOYSA-N 434.419 5.303 0 40 IKAB O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 35073530 FMXAWRCGHYGXPB-DTKUHUSLSA-N 434.511 6.463 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c1 35292061 LOANYDYHJBAABI-UHFFFAOYSA-N 429.545 5.556 0 40 IKAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)c(OC)c1 36359643 GZVWYPCVMVCPBH-DEOSSOPVSA-N 448.563 5.137 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3ccc(I)cc3)o2)cc1 39851064 XYLIAFFQXMDZES-UHFFFAOYSA-N 433.245 5.024 0 40 IKAB Cc1ccc(NC(=O)N[C@H](C)c2cccc(O)c2)cc1NC(=O)N[C@@H](C)c1cccc(O)c1 58245995 MTLFBEVNYQYLJF-SJORKVTESA-N 448.523 5.172 0 40 IKAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 59497879 LKRMVWUHHCMETP-UHFFFAOYSA-N 425.457 5.004 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCN(c2ncnc3ccccc23)CC1 69926107 SEGSWJUTGWRGFZ-XMMPIXPASA-N 429.568 5.323 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3cccc(C)c3)C2)c(OC)c1 95945208 ADYSYARWDVXGFZ-HSZRJFAPSA-N 434.923 5.657 0 40 IKAB COCc1cc(C)nc2sc(-c3nnc(-c4cccc(OC)c4)o3)c(-n3cccc3)c12 96336505 OGQGKGPVVPUGBF-UHFFFAOYSA-N 432.505 5.267 0 40 IKAB O=C1S/C(=C/c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl 98031647 BUUYDFWRTGCDNM-GIDUJCDVSA-N 442.693 5.184 0 40 IKAB O=C(O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C45C[C@@H]6C[C@@H](CC(C(=O)O)(C6)C4)C5)cc1)(C3)C2 100151975 SEBFRJUCYLOQKF-LMERYICUSA-N 434.576 5.532 0 40 IKAB CC(C)CCn1c(-c2cc3ccccc3o2)cs/c1=N/c1ccc(SC(F)F)cc1 105755727 PJTUDFYEPJINRU-WNAAXNPUSA-N 444.572 7.556 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3)c2)C(=O)N1Cc1ccccc1Cl 214062519 IRKXAHWQWHRWEK-HYARGMPZSA-N 435.932 6.156 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C 219285609 USSCZPZYUMTBKC-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 222703872 QKIQXLSLTNFAFQ-HSZRJFAPSA-N 447.579 5.387 0 40 IKAB O=C(COc1cccc2c1CCCC2)Nc1ccccc1SCc1ccc(Cl)cc1 222871323 NETQOBRPPLCMDD-UHFFFAOYSA-N 437.992 6.529 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222892179 GKXRSOPDMNXYGM-PMACEKPBSA-N 442.382 5.487 0 40 IKAB O=C(c1cc2cc3ccccc3nc2s1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 223134621 QBRVWKCGLNCSBI-UHFFFAOYSA-N 441.478 5.431 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223282771 UKNJLWACDDPUQE-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223354017 HXPUQYRFFINVLW-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223966601 LYFIDPZQXQHIAG-UHFFFAOYSA-N 446.503 5.546 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)cc1 224196790 YMVVNIXVOMXALD-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1CSc1ccc(C)cc1 224337264 YWEVZKTYZFNAGD-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224343913 DYVOUSNSFHYXAH-JWQCQUIFSA-N 442.563 5.751 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(Cl)cc1 224500381 XJVWMIRXOBSVEE-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 224705367 YWHNLAARFMQKOR-JOCHJYFZSA-N 447.044 5.402 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224731022 MTNBQAJLDGKTOT-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 225628483 GAERAASUBPGCPA-KKSFZXQISA-N 435.395 5.258 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=S)Nc1ccccc1)[C@H]2NC(=S)Nc1ccccc1 245240586 QGKBSHAUAIEERO-XHOYROJHSA-N 438.666 5.153 0 40 IKAB CCC(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257248634 JEOOJKTXJMDMQF-QKNQBKEWSA-N 425.878 6.237 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3cc4cc(F)ccc4[nH]3)o2)c1 257277892 NZXWQIQNCXSOMH-HSZRJFAPSA-N 433.483 5.262 0 40 IKAB CCOc1cc(C(=S)N2CCC(Cc3ccccc3)CC2)ccc1OCc1ccccc1 408575226 NHPSHIBGHIDTFN-UHFFFAOYSA-N 445.628 6.295 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1cccc(OCc2ccc(Cl)c(Cl)c2)c1 408578130 VVWNXWBMUYIRMR-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 408599750 KBVHMSLNGLQNKF-YBFXNURJSA-N 446.366 5.720 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2C)c1 408693720 CLBBLUGKZQHJJJ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408700666 JWJUIXWMETYWLV-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB CC(C)c1ccc([C@H](CC(=O)c2ccc(F)cc2)Nc2ccc(Br)cc2)cc1 408718165 NOIRZIQMWFEILG-QHCPKHFHSA-N 440.356 7.138 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)cc1 408750503 OARQPANWLOINGY-UHFFFAOYSA-N 432.570 6.140 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 408972787 FOFFNMZKYWSJHY-MHZLTWQESA-N 444.600 5.879 0 40 IKAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccc2ccccc2c1 409004949 CMUCQKOMADKUBD-UHFFFAOYSA-N 441.512 5.686 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Br)c1OCC 409019578 JUXVNPSIKIPAIS-HGLKBHAMSA-N 428.348 5.081 0 40 IKAB O=C1/C(=C/c2ccc(-c3ccc(Br)cc3)o2)NC(=S)N1C1CCCCC1 409081596 QDOGMCZFNMLKCN-ATVHPVEESA-N 431.355 5.099 0 40 IKAB O=C1S/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1CC1CCCCC1 409128420 DXHNXNXCGHKTKD-CPNJWEJPSA-N 434.483 6.113 0 40 IKAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)o1 409132336 NZCOACMBBBOGLZ-DEDYPNTBSA-N 425.506 5.350 0 40 IKAB COc1cccc(CC[C@@H]2O[C@@H]3c4cccc(C(C)C)c4OC(C)(C)[C@H]3C[C@H]2C(=O)O)c1 585265250 ZWODWUNFSDCGHY-KNAFXUBQSA-N 438.564 5.769 0 40 IKAB Cc1ccc(CC(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)cc1 643576317 UPBUQRHCAOYCBP-UHFFFAOYSA-N 430.548 5.706 0 40 IKAB CCOc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)COc4ccccc4)ccc32)cc1 708539 NYFIJBCJSATGRF-UHFFFAOYSA-N 443.499 5.525 0 40 IKAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 880953 WURLUGOHHNWXHQ-UHFFFAOYSA-N 441.921 5.905 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)c(C)c1 884953 SLLVGMPCOORDPX-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CC(=O)c1cccc(NC(=O)CCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)c1 918012 TUNCIBHRJPETBO-UHFFFAOYSA-N 435.427 5.079 0 40 IKAB Cc1cc(Oc2cc3c(N)nnc(N)c3cc2Oc2ccc(Cl)c(C)c2)ccc1Cl 1262550 RBWHYJINGKPALX-UHFFFAOYSA-N 441.318 6.302 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)s2)c1 1365946 MGQOFKMQVLINCG-LJQANCHMSA-N 438.515 5.450 0 40 IKAB O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)cc1Cl 1393224 DYORKKSUTIVLKN-UHFFFAOYSA-N 444.336 5.420 0 40 IKAB O=c1nc2n(c3ccccc13)Cc1ccccc1C2(Cc1ccccc1)Cc1ccccc1 1751959 LQCWHPAVCSSNCR-UHFFFAOYSA-N 428.535 5.530 0 40 IKAB CCC(=O)N(CC[C@@H](Cc1ccccc1)c1ccc(OC)cc1)Cc1ccc(OC)cc1 1828401 GBUHOIAMRWKFKJ-VWLOTQADSA-N 431.576 5.859 0 40 IKAB biogenic COc1cccc2cc(-c3cc(=O)oc4cc(OCc5cccc(F)c5)ccc34)c(=O)oc12 2205754 GZVWYPAPRLAGAZ-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB Cc1ccc(NC(=O)c2c(-c3ccccc3)c3c4n(c(-c5ccccc5)cn24)CCCC3)cc1 2218197 JPKABQZAILCUPU-UHFFFAOYSA-N 445.566 6.972 0 40 IKAB COc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 2284801 DGABAWKRDCNMGD-UHFFFAOYSA-N 431.293 5.407 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)cc1 2329047 QMPCFFAWGGZZJL-SDHSZQHLSA-N 440.543 5.344 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccncc2)cc1 2444230 VMJABYOWRFMWMG-UHFFFAOYSA-N 438.556 6.174 0 40 IKAB CCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 2497138 UVZQZHLVPNAHFF-UHFFFAOYSA-N 437.517 5.652 0 40 IKAB CCCC1CCC(C2CCC(c3noc(-c4ccc(Br)cc4)n3)CC2)CC1 3208380 MZYVCEABGZGUGC-UHFFFAOYSA-N 431.418 7.379 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)NC3CCCCC3)nc2-c2ccc(C)cc2)cc1 3220113 GCKJYBQORQJKMU-UHFFFAOYSA-N 432.593 5.363 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@]2(C)[C@H]3CC[C@H]([C@@H](C)O)[C@@](C)(CCCO)[C@@H]3CC[C@]12C 5047816 WIGPVEOSPKDIBJ-APZJPAPRSA-N 434.749 7.467 0 40 IKAB CCCc1oc2c(cc(NS(=O)(=O)c3cccs3)c3ccccc32)c1C(=O)OCC 8439189 OKBBOLKAUZKJFF-UHFFFAOYSA-N 443.546 5.578 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2cccc(C)c2C)CC1=O 8587097 LPMICCDJBKPSOG-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3ccccc3C)C2)nc2ccccc21 8752469 ZIFFVNGNSOSDAE-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1cc(C)c2nc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2c1 8832041 GKHZODYTABSUOC-GQCTYLIASA-N 443.355 7.132 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 8871515 MQKONFLDFDAWHL-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)s2)cc1 8871585 SHPLBBDGCCFNIZ-UHFFFAOYSA-N 441.365 5.328 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 9142426 BIXMPNDULLKJBI-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3ccc(OC)cc3)nc3ccc(C)cc23)cc1 9201615 KCQHOHSDFXMLPL-UHFFFAOYSA-N 441.483 5.267 0 40 IKAB O=C1C[C@H](c2ccccc2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 9245037 WLDODJHAVDKUNG-HXUWFJFHSA-N 443.510 5.743 0 40 IKAB CCn1c(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)nc2ccccc21 9416222 JZUWDKRWJNBICO-NRFANRHFSA-N 425.554 5.255 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9463549 ALABENNLLRLCAZ-LJQANCHMSA-N 436.562 5.404 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc2ccccc2c1 9745691 ZAYNJYXMUVDSAL-UHFFFAOYSA-N 449.963 5.974 0 40 IKAB Clc1cccc(Nc2nc3nonc3nc2Nc2cccc(Cl)c2Cl)c1Cl 9968512 VHPHBDOBLKCOTJ-UHFFFAOYSA-N 442.093 6.114 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2C)cc1 10314568 HFNSKYIKGFWXMT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 11117120 WGJSLZPKPKQOAN-WOJBJXKFSA-N 447.482 5.222 0 40 IKAB COc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1Cc1ccco1 11692100 QDYIMZZTNWNIOR-UHFFFAOYSA-N 440.503 5.550 0 40 IKAB COc1ccccc1C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C(C)C)cs1 12220044 WZZABDBJDHGVGN-UHFFFAOYSA-N 449.576 5.031 0 40 IKAB Cc1cc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)c2ccccc2n1 12563166 JEQRTKZQLDKGBI-UHFFFAOYSA-N 432.936 6.158 0 40 IKAB C(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 12652230 DLHKDUZFCPTABG-UHFFFAOYSA-N 446.600 8.162 0 40 IKAB CC(C)[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl 13511650 IAHPPQDQOMUKQL-DEOSSOPVSA-N 449.986 5.562 0 40 IKAB Cc1ccc(N2C(=O)CN(c3ccccc3F)C(=O)[C@H]2c2ccc(C(C)C)cc2)c(C)c1 13591911 HKEMLBRNLXEOBJ-AREMUKBSSA-N 430.523 5.687 0 40 IKAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628319 SDLGSPIDNZTRTR-RUZDIDTESA-N 444.575 6.341 0 40 IKAB COc1ccc(-c2noc(CN(C)C(=O)c3ccccc3SCc3ccccc3)n2)cc1 13942517 NZCBZAGRDKZUKT-UHFFFAOYSA-N 445.544 5.310 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13945762 JQBGBJTVBVIAKU-NIYFSFCBSA-N 431.580 5.436 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c(O)c1 13946138 MAJWMFDGACZPKP-JXMROGBWSA-N 426.925 5.449 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3s2)ccc1C 14271977 XVQOWEBLRYGXDY-UHFFFAOYSA-N 443.355 6.839 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(Br)c1 14272763 JVLJXNYZUPYDPL-UHFFFAOYSA-N 449.352 5.867 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)sc2c1[C@@H](c1cccc(O)c1)CC(=O)N2 15107051 UGIUTYLERCCEAR-MRXNPFEDSA-N 446.450 5.507 0 40 IKAB COc1cc(CNCc2cccs2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195659 HLIIPDJCLNHBJO-UHFFFAOYSA-N 442.795 6.586 0 40 IKAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(Nc4cccc(Cl)c4)c(Cl)c1=O)(C3)C2 16399041 KVGIFWLHWBAGFR-NAZSJPOASA-N 448.350 5.064 0 40 IKAB CCOc1cc(CNCc2ccccc2)cc(Br)c1OCc1ccccc1F 16688733 YCYDTVIMSUVQGK-UHFFFAOYSA-N 444.344 5.856 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nnc(COc3cc(C)ccc3C(C)C)s2)cc1 17056312 RQWLGVCQCLCEHR-UHFFFAOYSA-N 439.581 5.980 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 17265447 GGVLFDRIUMBEKG-VWNXMTODSA-N 449.348 6.008 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 19856347 ARLVKCZOKJYPRY-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20745146 DEUUJCSICQJHPN-RUZDIDTESA-N 440.543 5.781 0 40 IKAB Cc1cc2sc(NC(=O)C(C)(C)Oc3ccc(Br)cc3)nc2cc1Cl 21595363 GIAQNQHUHFRMNA-UHFFFAOYSA-N 439.762 5.817 0 40 IKAB COc1cc(/C=C/C(=O)O)cc(Br)c1OCc1ccc(Cl)cc1Cl 22077301 AGQMJHQLZQAEMH-GORDUTHDSA-N 432.097 5.441 0 40 IKAB CCOc1ccccc1NC(=O)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 22492019 ICQWAUZNOSHEDV-UHFFFAOYSA-N 436.943 5.051 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)CSc3nc(Cc4ccccc4)c(C)[nH]3)c2C)cc1 23593310 XQTTZAUUSMSNCI-UHFFFAOYSA-N 445.592 5.151 0 40 IKAB O=C(Cn1c(COc2ccc(Cl)cc2)nc2ccccc21)N[C@@H]1CCCc2ccccc21 25395225 RABBJBVCRXHFAI-JOCHJYFZSA-N 445.950 5.463 0 40 IKAB c1ccc(-c2cc(N3CCN(c4ccccc4)CC3)n3ncc(-c4ccccc4)c3n2)cc1 27585998 MMINUQJBALYOCR-UHFFFAOYSA-N 431.543 5.390 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N(Cc2c(F)cccc2Cl)c2ccccn2)ccc1Cl 28289137 ZLBKXQVNLRPDIM-OAHLLOKOSA-N 433.310 5.837 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nnc(CSc2nc(C3CC3)nc3ccccc23)s1 30714972 KJHKACCQKRHGRD-UHFFFAOYSA-N 437.525 5.042 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cccc(-c2noc(-c3ccccc3OC)n2)c1 32647467 LGSYQPWHTWJMLF-UHFFFAOYSA-N 435.867 5.327 0 40 IKAB O=C(Cc1cc(Cl)cc2c1OCOC2)N[C@H](c1ccccc1)c1ccc(Cl)cc1 32779038 JXPXNSYMIBZLLU-JOCHJYFZSA-N 428.315 5.308 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 36371583 WICQHKDZHVVRAU-CJTWBSTDSA-N 444.700 6.930 0 40 IKAB CCOc1ccccc1/C=C/C(=O)Nc1ccc(-n2nc(C(F)(F)F)cc2C2CC2)cc1 36614275 QOHAWBDSPUGWFX-NTEUORMPSA-N 441.453 5.819 0 40 IKAB Cc1ccccc1Cc1nc2ccccc2n1CC(=O)Nc1ccc(Br)cc1 40301322 AVHPRJWDGPVAED-UHFFFAOYSA-N 434.337 5.337 0 40 IKAB CC(C)Cn1ccc2cc(NC(=O)c3occc3CS(=O)(=O)c3ccccc3)ccc21 58441539 LSEPDYCNQZQXJQ-UHFFFAOYSA-N 436.533 5.117 0 40 IKAB Cc1cccc(N(CN2C(=O)c3ccccc3C2=O)C(=O)c2ccc(Cl)cc2Cl)c1 59502204 QYUTUHYNRZPKHB-UHFFFAOYSA-N 439.298 5.202 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3cccc(OC)c3)cc12 65033905 MHQHUSJNNIZLDE-UHFFFAOYSA-N 428.488 5.570 0 40 IKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 67259397 LPPFIYJGSZAOLH-UHFFFAOYSA-N 428.513 5.109 0 40 IKAB O=C1C[C@H](C(=O)Nc2ccc(Nc3ccc(F)cc3)c3ccncc23)c2ccc(F)cc2N1 72277538 NGQRYBJNYQCXHO-IBGZPJMESA-N 444.441 5.321 0 40 IKAB COc1cccc(Cc2cccc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)c1 72349676 ZPCXDSALSJGNKQ-UHFFFAOYSA-N 439.559 5.111 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354043 LCHGKGXHKLNVJJ-IBGZPJMESA-N 425.985 5.419 0 40 IKAB CC[C@H](NC(=O)C(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1)c1ccc(Cl)cc1 78698949 WMOLOFFFDCNPFU-IBGZPJMESA-N 444.318 5.387 0 40 IKAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccc(C)cc2)c1 89637083 XPXAIVYELLXQFW-UHFFFAOYSA-N 433.913 5.259 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2Cl)nc1-c1ccccc1 95348748 KYWKDHYMOHUUFW-IAGOWNOFSA-N 434.952 5.606 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038138 QAIWRZREOADMRV-UHFFFAOYSA-N 430.870 5.837 0 40 IKAB Cc1c(-c2nnc3sc(-c4ccc(OCc5ccccc5)cc4)nn23)oc2ccccc12 96194222 GEAZBPVLQZWAQB-UHFFFAOYSA-N 438.512 6.153 0 40 IKAB CCOc1cc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)ccc1Cl 96305713 QLBDTPQMQNKOLV-UHFFFAOYSA-N 432.712 5.361 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 102883123 LESDLZRFYNUMDI-RUZDIDTESA-N 448.563 6.152 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)ccc3o2)cc1 109040964 RVGIEXRHVXYQLU-UHFFFAOYSA-N 436.511 7.186 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc12 205660537 KFTVITNDTYDQLG-RGVLZGJSSA-N 427.884 5.877 0 40 IKAB Cc1ccc(-c2nn3c(-c4ccccc4)cc(-c4ccccc4)nc3c2Br)cc1 215880602 GHHUIWJNZBMUCP-UHFFFAOYSA-N 440.344 6.801 0 40 IKAB Cc1ccc(CSCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 216360912 QKPSCHQCAPWEKL-UHFFFAOYSA-N 431.601 6.395 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2Br)cc1 216410272 FXGIUJGFSLJBAD-GOSISDBHSA-N 440.765 5.394 0 40 IKAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 216432745 ORAYNFLXSIQDTN-GOSISDBHSA-N 431.532 5.630 0 40 IKAB CC1(C)C[C@H](NC(=O)COc2ccc(C(C)(C)C)cc2Br)c2ccccc2O1 218885013 SKLUDQUPKKDGHO-SFHVURJKSA-N 446.385 5.544 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 222542286 BKRKDPMWGYJURO-QFIPXVFZSA-N 447.044 5.295 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(Cl)c(OC(C)C)c(OC)c3)N21 222657820 VMRZSJYVSBZFHU-RYGJVYDSSA-N 431.989 5.510 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223135237 IQWKWKHHABBRAI-PMACEKPBSA-N 434.555 5.244 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)C 223312143 BPEJOHVACNUJDS-HSZRJFAPSA-N 438.612 5.219 0 40 IKAB Cc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 224018196 CFEXSDTXUXMOMD-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224032207 OTODDFJKKLUKCJ-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224092840 YXHCWFOCXVABSX-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1OC 224243458 MNTYRFKBHOHWMB-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2OC)cc1 224265530 XNJNWMPUVJZDNC-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1)S(=O)(=O)c1ccccc1 224444192 DIYYQVIASFBOHW-UHFFFAOYSA-N 444.556 5.303 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1cc(C)cc(C)c1C 224614463 QISCAAZZUIYQTN-UHFFFAOYSA-N 447.531 5.248 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1 224807358 XFAACQASRHZGOB-VFCFBJKWSA-N 440.587 5.538 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225055682 QDSRYLFDPVQJEZ-OALUTQOASA-N 447.044 5.214 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1 225498736 JYDJTXPIODCNOO-SFHVURJKSA-N 430.923 6.441 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)NC(c3ccccc3)c3ccccc3)n2)cc1 225836868 RWVFMUQKDNAZIE-UHFFFAOYSA-N 425.532 5.698 0 40 IKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccccc3Cl)CCCC2)ccc1Cl 225866152 LLNPBTOTYUOCAC-UHFFFAOYSA-N 437.392 5.926 0 40 IKAB Cc1cc(N2CCCC2)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCCC2)n1 225988829 KXMOPPOLYBQCBZ-UHFFFAOYSA-N 444.048 5.227 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@@H]2C(=O)O[C@@H]3C[C@]4(C)CCC[C@H](C)C4=C[C@@H]32)CC1 247882601 RSUMDFBTCAAZNY-RXJWLBRNSA-N 443.031 5.085 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@H]12 253618429 JPPPXYICMMZYFE-ZNMIVQPWSA-N 436.341 5.257 0 40 IKAB Cc1ncsc1-c1nnc([C@H]2CC[C@H](CNC(=O)c3csc4ccccc34)CC2)o1 257277290 NXFSCMFFSUZFKH-SHTZXODSSA-N 438.578 5.420 0 40 IKAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CNC(=O)CCC3CCCC3)CC2)nc2ccccc12 257303192 SGEBDBAOBHFETF-MEMLXQNLSA-N 435.612 5.297 0 40 IKAB Fc1ccccc1O[C@H]1COC2(CCN(Cc3ccccc3OCc3cccnc3)CC2)C1 257315038 UZQLWKUPACNDJM-HSZRJFAPSA-N 448.538 5.002 0 40 IKAB COc1cccc(Cc2ccc(C3CCN(Cc4cc5c(cc4OC)CCC5)CC3)nc2)c1 257344427 ZXEFELRYLHVMBZ-UHFFFAOYSA-N 442.603 5.558 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408576754 QXVYFWIOLLXWTM-UHFFFAOYSA-N 440.406 6.056 0 40 IKAB COc1cc(C(=S)NC[C@@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408578325 XNIJGIDMDSRWHV-INIZCTEOSA-N 426.365 5.025 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2cc(Br)ccc2OC)cc1 408586088 LAQZYNRAHNFOJV-UHFFFAOYSA-N 428.282 5.511 0 40 IKAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C/c2ccccc2Br)C1=O 408725329 FGIIPVXYTWKFPW-CXUHLZMHSA-N 437.746 5.517 0 40 IKAB CC(C)c1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409002948 CTGMEODPAKLBSE-UHFFFAOYSA-N 449.016 5.426 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1Cl 409103245 XONSXTLKGGEYPQ-UHFFFAOYSA-N 449.407 5.563 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3c(C)cc(Br)cc3C)c(=S)o2)cc1 409169440 QUVBRIREVRSLJD-UHFFFAOYSA-N 432.343 5.199 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 409362021 QWZBJAHYTDQLAI-UHFFFAOYSA-N 440.638 5.213 0 40 IKAB COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)C1CCCCC1 1366413 LBWQMOXLRHEALU-UHFFFAOYSA-N 432.564 5.263 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c(C)c1 1380133 GGYWADWHVSIDEX-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 1396416 XBWKGWYOXZUYGF-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@H]2c2ccc(OCC)cc2)cc1 1439878 FFYNZUVUALAQAO-JWQCQUIFSA-N 445.515 5.106 0 40 IKAB O=C(NCCCOc1ccc(Cl)c(Cl)c1)NCCc1ccc(Cl)c(Cl)c1 1749728 AKRGZRXSIZIHKB-UHFFFAOYSA-N 436.166 5.611 0 40 IKAB CC(C)c1ccc(NC(=O)CCCOc2ccc(C(C)(C)C)cc2Br)cc1 1787372 XTEIDMKAMBDQDV-UHFFFAOYSA-N 432.402 6.668 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCCCC(=O)c2ccc(Br)cc2)c1C 2617046 NERWJFDZUTZRCZ-UHFFFAOYSA-N 440.337 5.688 0 40 IKAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1Cl 3318488 SBQOFEUPLAUYRH-UHFFFAOYSA-N 448.224 5.157 0 40 IKAB COc1ccc(CCNC(=O)c2ccccc2Sc2ncnc3sc(C)c(C)c23)cc1 3327059 ZCRTZKLLMCIQEX-UHFFFAOYSA-N 449.601 5.440 0 40 IKAB CCOc1ccc(C(=O)NCC(=O)Nc2ccc(Sc3cc(C)ccc3C)cc2)cc1 3328414 YPOLKCDOBWZLHY-UHFFFAOYSA-N 434.561 5.222 0 40 IKAB O[C@@H]1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 5813194 QWYCALYVYWPWLT-URNDJICFSA-N 434.535 5.006 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(C3CCCCC3)n2Cc2ccccc2)c1 6074242 NVBOJRYEIXHNFR-UHFFFAOYSA-N 448.592 5.308 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1C 8383651 DYTFSOJFGXUKIZ-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 8442547 KWTCVVNMQUHIDY-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB COc1ccc(Cl)c2c1[nH]c1nc(SCC(=O)Nc3cccc4ccccc34)nnc12 8446231 RGTHIXZNJLVQAY-UHFFFAOYSA-N 449.923 5.052 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 8831518 FASRBFRZLYWKRJ-UHFFFAOYSA-N 442.540 5.458 0 40 IKAB CCOc1ccc(-c2nc3sc(-c4ccc(OCC)c(OC)c4)nc3s2)cc1OC 8893355 MHRVTZPOPZROFH-UHFFFAOYSA-N 442.562 5.901 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3cccc(Br)c3)ccc21 8959076 RKLZKPHMJIXEGP-UHFFFAOYSA-N 445.357 5.109 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)c3cc(C)n(C[C@H]4CCCO4)c3C)s2)cc1 9120370 DBCDBHFSLISFBO-GOSISDBHSA-N 442.610 5.162 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc2c(c1)OCO2 9175805 USSFWUAUQPBGSD-UHFFFAOYSA-N 434.542 5.885 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C(C)C 9250399 KXHSTQWDXGMZNM-UHFFFAOYSA-N 448.588 5.495 0 40 IKAB COc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 9307685 JISMIABZKQPIHX-UHFFFAOYSA-N 446.359 6.194 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2cc3ccc(C)cc3nc2O)c2ccc(C)c(C)c2)cc1 9431074 LTENWDZEWWNFHQ-UHFFFAOYSA-N 446.572 5.570 0 40 IKAB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(Cl)cc1 9435810 RIQXDNSFOQVJSU-GOSISDBHSA-N 449.732 5.035 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COC(=O)CSc2ccc3ccccc3c2)c1Cl 9585490 NTCNZQYZONUWST-UHFFFAOYSA-N 434.344 5.729 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccccc1Nc1ccccc1 12549280 ZJQGDGBFWNVJLP-SANMLTNESA-N 432.527 6.020 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(N3CCOCC3)cc2)cc1 12563638 LPIAOHMSTUMCOJ-UHFFFAOYSA-N 441.922 5.126 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3CCc3ccccc32)o1 12811383 NFGPPVTZQMVMBB-UHFFFAOYSA-N 443.528 5.301 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5cccc(Cl)c5)no4)c(=O)c23)cc1 12986520 RVOBBOZFVPSOBF-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)cc1 13026750 RJJHQKZGRRVNMR-RUZDIDTESA-N 434.580 5.721 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1ccc(Oc2ccccc2)cc1 13130306 HJBLEEDWGLIXIP-UHFFFAOYSA-N 437.908 5.913 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 13676732 ZJOIJYKEZLGSEI-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)CC[C@@H]3Cc4ccccc4NC3=O)n2)c1C 14345324 XGBXRDCQSBFPBJ-GOSISDBHSA-N 436.581 5.168 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17094595 BHLQZLHLDGKRKS-SELVFMLMSA-N 425.642 5.485 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3ccc[nH]3)o2)cs1)c1c(C)cc(C)cc1C 18366552 BLPVSAFTCDYNJE-UHFFFAOYSA-N 439.566 5.423 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2cc(C)ccc2C(C)C)cc1 19644868 RMYLINDEGKOVAR-UHFFFAOYSA-N 446.547 5.302 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cccc3ncccc23)CCO1 19697756 PYTNYTOEQSNCGS-JOCHJYFZSA-N 445.588 5.161 0 40 IKAB Cc1c(CN2CCO[C@H](c3c(C(=O)NC(C)C)sc4ncccc34)C2)oc2ccccc12 19703306 STAFLXCTDUJHQH-NRFANRHFSA-N 449.576 5.063 0 40 IKAB COc1cc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(C)cc3)c2cc1OC 20382410 HAJPJNZDWICNHA-UHFFFAOYSA-N 448.544 5.005 0 40 IKAB CCc1ccccc1NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1 22275070 CJSYSLLUXNYDNS-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1cccc(C(F)(F)F)c1)N(c1ccccc1)C(=O)N2 24926927 RIYUFRZYPROWLH-QFIPXVFZSA-N 448.448 6.341 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26089673 BFJUYAALBNCNOJ-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1ccc(-c2csc3nc(SCc4cccnc4)n(C[C@@H]4CCCO4)c(=O)c23)cc1 27810609 WLPYVKPLYFNZOB-IBGZPJMESA-N 449.601 5.300 0 40 IKAB Cc1cc(C)c2c(=O)cc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)oc2c1 28288634 SGGDEHCXUMXTID-FQEVSTJZSA-N 438.955 5.020 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1 28291566 AQPZBUXHSGIMKQ-HSZRJFAPSA-N 434.580 5.285 0 40 IKAB O=C(c1ccccc1Oc1ccccc1)N1CCN(Cc2csc(-c3ccco3)n2)CC1 29325985 VNKWUSIXNDPAMG-UHFFFAOYSA-N 445.544 5.153 0 40 IKAB O=C(COc1ccc(-c2nc(-c3ccccc3)no2)cc1)Nc1cccc(C(F)(F)F)c1 32578486 QIRYVZRGJMBBOU-UHFFFAOYSA-N 439.393 5.440 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2c(C)nn(COc3ccc(Cl)cc3Cl)c2C)c1 32610221 UXXBWYIJTOTLFG-UHFFFAOYSA-N 433.339 6.104 0 40 IKAB COc1cccc(-n2c(SCc3c(F)cccc3Cl)nc3ccccc3c2=O)c1 33405410 QWDSOWBDBFOAKV-UHFFFAOYSA-N 426.900 5.479 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccccc4Cl)cc3)cc(=O)n2o1 41089709 DGFOODCESDXSID-UHFFFAOYSA-N 440.912 5.186 0 40 IKAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2ccc(Br)cc2)nc1 48276677 IAYLCRBWTOTZCX-UHFFFAOYSA-N 439.309 5.238 0 40 IKAB COc1cc(Cl)c(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1OC 58441114 VIQLOYPTJMOJFQ-UHFFFAOYSA-N 441.846 5.260 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 72215800 SZAKWBIGWLEBHA-FQEVSTJZSA-N 439.556 6.227 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2cccc(Cl)c2)o1 72229916 HMTAWPGVQRRMKW-HSZRJFAPSA-N 438.310 6.587 0 40 IKAB S=C(NCc1ccccc1)N1N=C(c2ccco2)C[C@@H]1c1ccc(Br)cc1 89836532 ZLBSIKXSMMFVNS-LJQANCHMSA-N 440.366 5.268 0 40 IKAB Cc1nc(CNC(=O)OC(C)(C)C)ccc1C(=O)Nc1ccc(COC2CCCC2)cc1 95453387 WXRCZJJVRUYKBA-UHFFFAOYSA-N 439.556 5.126 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@@H]2CCCCCC2=O)cc1 96993815 ADYKTVQDGLEXTO-FYVGXUMQSA-N 448.544 5.102 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 100729173 AQCGVKGTLKXTGI-SZPZYZBQSA-N 432.568 5.080 0 40 IKAB CCCCOc1ccc([C@@H]2C=C(Nc3cccc(C)c3)C(=O)N2c2cccc(C)c2)cc1 103758317 QMPUSDLOWCVCTC-MHZLTWQESA-N 426.560 6.566 0 40 IKAB CSC(=S)OCCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CCCC[C@]4(C)[C@H]3CC[C@@]21C 118926297 GTRLSBCDXSIBTA-OFKGFKPKSA-N 436.771 8.116 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 222776904 YWYAJTJABWGTOH-INIZCTEOSA-N 427.595 5.668 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222865897 VOCLROKIZYWNAU-PMACEKPBSA-N 431.392 5.562 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C 223111055 PDFFFVSUVQVZPQ-RPBOFIJWSA-N 430.621 5.794 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 223111615 VUPXBOOJWIZGQF-VXKWHMMOSA-N 438.000 5.226 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc2c(c1)oc1ccccc12 224256704 FPQZANXMJNWNNI-UHFFFAOYSA-N 446.300 6.519 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224343972 MBIOHPRIEZCJME-DQEYMECFSA-N 442.563 5.751 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc(Cl)cc1 224505532 WEEJISHLHGQFAN-LJQANCHMSA-N 437.967 6.069 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 224631808 SOYYXEFPCWATCP-XMMPIXPASA-N 440.653 5.116 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1snnc1-c1ccc(Br)cc1 225783759 CRVIFTJRLFAWGH-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2F)o1 226769312 VZXLIZRLAFUPOW-UHFFFAOYSA-N 426.241 5.612 0 40 IKAB COc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl 227148318 NGNJLVZEOPNVDN-WEVVVXLNSA-N 447.716 5.605 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)cc12 257238680 HMBDHTNFNFYOLN-SFHVURJKSA-N 433.939 5.728 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)CC2CCCC2)CC1 257271378 MYALICAJXKHYND-UHFFFAOYSA-N 446.635 5.530 0 40 IKAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3oc4c(c3C)C(=O)CCC4)C2)n1 257317226 VIWVPCYLEQKLLS-KRWDZBQOSA-N 447.510 5.323 0 40 IKAB C[C@@H]1CC[C@@H]2[C@@H](O1)c1cc(-c3ccccc3)ccc1OC21CCN(C(=O)OC(C)(C)C)CC1 257317451 VJUMBAIAGFGEDD-NIDLKEISSA-N 449.591 6.372 0 40 IKAB O=C(c1csc(-c2ccccc2)n1)N(CCn1ccc(C(F)(F)F)n1)C1CCCC1 390831919 VYFUEHWCHXGJPN-UHFFFAOYSA-N 434.487 5.110 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)COc3ccc(C4SCCS4)cc3)cc2)cc1 408570549 WRLHHPIORUTKRW-UHFFFAOYSA-N 437.586 6.283 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1 408577541 INCNTIRSWZASNR-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1N1C(=O)c2cc(Cl)c(Cl)cc2C1=O 408673442 SEPIYGRIWNICBP-UHFFFAOYSA-N 439.298 5.609 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(Cl)cc2)cc1 408696821 CGOVKQOMJXTIJP-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(Cl)ccc2C)cc1 408698145 LMFDKRZKQIGUKH-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCc1cccc(C)c1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 408706101 VGQQHVMDZJEINP-UHFFFAOYSA-N 443.396 5.049 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408970440 HUXTYALPBZPZEO-UHFFFAOYSA-N 446.161 5.791 0 40 IKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 409102978 WXGITJSQOSNRIV-UHFFFAOYSA-N 437.568 6.312 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409256165 ODPQBZPQAPWKBU-WPAZBSNISA-N 430.498 6.514 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OCC 409357901 KTTTWQYQCCCYHT-UDWIEESQSA-N 445.924 5.057 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCC3=CCCCC3)ccc2C)cc1C 409409854 JNLUAYLGOXQITE-UHFFFAOYSA-N 426.582 5.033 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)c(Cl)c3)C2=O)cc1 1008244 BNJFAGVNOCXADZ-ODLFYWEKSA-N 444.940 5.111 0 40 IKAB CC(C)(C)n1nnnc1[C@@H](c1cccs1)N(Cc1ccccc1)Cc1ccc(F)cc1 1338594 UXGNFPPQQNYEJC-JOCHJYFZSA-N 435.572 5.421 0 40 IKAB Nc1cc(-c2ccc(Cl)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 1415864 PKXPSTIXLXLWCZ-UHFFFAOYSA-N 431.746 5.661 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)/C=C/c1ccc(F)cc1 1911818 NEWRRTOQLSJOAR-LFYBBSHMSA-N 429.900 6.036 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1Cc1ccccc1 2260057 UYFPFBUFPYGTLU-UHFFFAOYSA-N 427.895 5.121 0 40 IKAB Cc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 2446854 NTXOZLJXNJHCCW-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 2561717 ZHTDTNVWRMQKMD-GFCCVEGCSA-N 427.344 6.283 0 40 IKAB CCOc1ccc(OCCSc2nnc(-c3cccnc3)n2-c2ccccc2F)cc1 2623360 GTFRQHNQOMZUTE-UHFFFAOYSA-N 436.512 5.038 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCCO5)cc1C 2690106 ZLJIAUKTVYOGSM-UHFFFAOYSA-N 439.490 5.779 0 40 IKAB CCc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 2737581 LQTCGIHAAVMIIQ-UHFFFAOYSA-N 444.534 7.509 0 40 IKAB CCCSc1nnc2c(n1)O[C@H](c1ccc(Br)s1)Nc1ccccc1-2 2741646 OQQIQNYGQUKWIE-OAHLLOKOSA-N 435.372 5.368 0 40 IKAB CC(C)c1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1 3243065 RJQBCMFNEZIAMN-UHFFFAOYSA-N 432.520 5.623 0 40 IKAB Cc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)ccc1Br 3270499 XYIKAKMOQAKRMV-UHFFFAOYSA-N 435.296 6.364 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CC[C@H](O)CC3=O)CC[C@]2(C)C1 5047625 XUEQTRQROYLIEL-KTBXOYAZSA-N 448.688 6.493 0 40 IKAB c1ccc(C2=N[C@](CCN3CCCCC3)(c3ccccc3)S[C@@H]2CN2CCCCC2)cc1 5496353 SMXZOBMDDWDWME-IAPPQJPRSA-N 447.692 5.806 0 40 IKAB CC(C)(C)c1ccc(C(=O)O[C@H](c2ccc3c(c2)OCO3)c2nccc3ccccc23)cc1 6144151 MAIXTLCTHSSOGL-AREMUKBSSA-N 439.511 6.207 0 40 IKAB CCc1ccc(OCCCn2c(CCCNC(=O)c3ccco3)nc3ccccc32)cc1 8752665 OFKLWJKPKCHEHI-UHFFFAOYSA-N 431.536 5.023 0 40 IKAB O=C(O[C@H](CSc1nccn1-c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 8857265 DCWQDMHWRYXWRY-MRXNPFEDSA-N 426.847 5.406 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)c1 8921267 AFMOTXVOLLZXDC-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1ccc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3C[C@H]3CCCO3)cn2c1 9367166 OGYIZIJDOFXTQG-LJQANCHMSA-N 439.972 5.026 0 40 IKAB Clc1ccc2nc(N3N=C(c4ccco4)C[C@H]3c3ccco3)nc(-c3ccccc3)c2c1 9412023 RRVNKTFWLQBIOT-NRFANRHFSA-N 440.890 6.492 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3nc(-c4ccsc4)no3)ccc2OC)cc1 9498058 OAYWWKGIAWRAIU-UHFFFAOYSA-N 435.505 5.054 0 40 IKAB CSc1cccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2C)c1 9601203 YEOLSWQPUAQGNX-UHFFFAOYSA-N 439.393 5.242 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)CC1 9601282 MVBPLPAYXDNVJH-UHFFFAOYSA-N 437.392 5.418 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 10327782 KEYLINQFHPLZHM-UHFFFAOYSA-N 442.968 5.275 0 40 IKAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(Oc2ccccc2)c1 11847405 YVQFHPSYNBOILG-UHFFFAOYSA-N 440.480 5.961 0 40 IKAB CCN(CC)CCN(C(=O)c1cccc(C)c1)c1nc2ccc(Br)cc2s1 12140843 JYELCPCKQPNJNO-UHFFFAOYSA-N 446.414 5.356 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)CCc3ccccc3)cc2)on1 12159067 NOHYARIJHNBDGG-UHFFFAOYSA-N 440.547 5.479 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(OCC)cc4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 12195866 REHWOVJLBUKDGQ-RSXGOPAZSA-N 448.950 6.380 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)c3ccc(C)cc3)cc2c1 12644051 DKUJOZLKZXVQET-UHFFFAOYSA-N 444.962 5.895 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 12651157 UFMXZWMHXUICQJ-UHFFFAOYSA-N 428.879 5.488 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 12783811 OFVJPGUVAZBHIW-XMMPIXPASA-N 435.568 5.083 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1C 12818545 MXGJDPYUTXQISU-LJQANCHMSA-N 446.576 5.093 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)N(c4cccc(C)c4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12878190 JHWSJHRBDQEFMX-BTYSJIOQSA-N 449.554 5.868 0 40 IKAB biogenic O=C(Nc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1)c1cccs1 13110026 WRLYRQOHDJYDQD-UHFFFAOYSA-N 447.585 5.630 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2c1Cl 13134451 ABDZPUOTOUSTPY-UHFFFAOYSA-N 436.238 6.368 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc4ccccc34)n2C)cc1 13871350 IDXFQFMDIURLGS-KRWDZBQOSA-N 446.576 5.402 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14115682 POYKKMSIHFSCOP-JTQLQIEISA-N 441.607 5.370 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccnn2Cc2ccc(Cl)cc2Cl)cc1OC 14673194 VLXIBIILBDGAPH-UHFFFAOYSA-N 448.350 5.678 0 40 IKAB O[C@H](CNCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl)c1ccccc1 16477425 ZORGMDKFXAKOIA-OAQYLSRUSA-N 436.766 6.049 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNCc2cccs2)c(Cl)c1 16526009 QEIBLWZAFIAQGM-UHFFFAOYSA-N 428.384 7.077 0 40 IKAB COc1ccc(-c2nc(C)c(-c3ccc(SCc4cccc(Cl)c4)nn3)s2)cc1 16838444 JTFNGYAPSHOLHK-UHFFFAOYSA-N 439.993 6.530 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccsc2c1=O 16843275 SGOGSQRMVDMTKL-UHFFFAOYSA-N 432.958 5.254 0 40 IKAB Cc1cc2c3c(c1)[C@]1(Nc4ccccc4S1)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 17095083 POMSHNKGWLIECI-RRPNLBNLSA-N 426.585 6.201 0 40 IKAB CCCS(=O)(=O)N1CCCc2cc(NC(=O)c3ccc(-c4ccccc4)cc3)ccc21 17286852 SHOGJSUCVMCQQD-UHFFFAOYSA-N 434.561 5.098 0 40 IKAB CC/C(=C(\CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@@H]2C=CCCC2)cc1 17328645 TTXGLJCLKHXJLQ-WBXRLTKGSA-N 428.616 8.392 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 19400697 UPNOWJXQNJEUJY-CJFMBICVSA-N 427.539 5.010 0 40 IKAB Cc1noc2nc(C3CCN(C(=O)[C@@H](C)Cc4cccs4)CC3)cc(C(F)(F)F)c12 19564428 BWYFSLMCSUUODD-LBPRGKRZSA-N 437.487 5.196 0 40 IKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@@H]2c2cccs2)n1 20508457 GOYKRFFEUZDRIR-RBUKOAKNSA-N 425.579 5.088 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(SC)cc1 21005531 NXXPFXILZAXDNU-XMMPIXPASA-N 441.556 5.748 0 40 IKAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1cccc(Cl)c1Cl 21112830 NEAJIKAUDLUNEO-UHFFFAOYSA-N 443.743 5.075 0 40 IKAB COc1ccc2nc(Sc3ccc(Cl)cc3)c(/C=C3/SC(=N)NC3=O)cc2c1 21596687 PSTWLMDQBBQSLG-LICLKQGHSA-N 427.938 5.187 0 40 IKAB O=C(N/C(=C\c1ccc(-c2cccc(Cl)c2)o1)C(=O)N1CCCCC1)c1ccccc1 27025124 CIUHBSCXIQHCIU-XLNRJJMWSA-N 434.923 5.383 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(CNc3ccc(Cl)cc3)n2-c2ccccc2)cc1 27027659 MHCHPXPKYGUHNS-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB Cc1cc(Nc2ccc(Br)cc2)n2nc(C)c(-c3ccccc3Cl)c2n1 27585457 WUCRDTSVFLIZDQ-UHFFFAOYSA-N 427.733 6.173 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)o1 29357485 QJSGRVYKHBCDDI-SFHVURJKSA-N 443.575 5.027 0 40 IKAB COc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(Cl)cc2)cc1 33050667 WPHUFLHSMWDBDK-UHFFFAOYSA-N 437.952 5.477 0 40 IKAB COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3ccc(Cl)cc3)c2c1=O 35400346 PNCNPYWWRQPDCN-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 38756538 XSQMGRXJFQDOFG-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004687 UIUGDWPPSYCNRQ-UHFFFAOYSA-N 428.458 5.717 0 40 IKAB CCc1cccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 67245646 ODMWODQYTPJLHI-UHFFFAOYSA-N 434.970 5.041 0 40 IKAB O=C(C1CC1)N1CCCCC[C@@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 69778816 IYXMMFFWTCJCIQ-GOSISDBHSA-N 429.914 5.151 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2ccc(-c3ccccc3F)cc2)(C(=O)NC(C)C)CC1 72345218 MNPWULMFWSYYOQ-UHFFFAOYSA-N 438.587 5.215 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)C1 100619424 WLNPPJZIDCKHHE-BYNIBCHQSA-N 436.478 5.177 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 100738878 VTXSASCKMBCTTJ-QUPDYRNUSA-N 442.607 5.685 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 106688157 GCAMMZUICJSHCW-MTJSOVHGSA-N 445.968 6.010 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1 214039850 FGBFXVZRKSRUKR-HYARGMPZSA-N 435.932 6.156 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219959658 PNJACJKUFUBSTB-UHFFFAOYSA-N 442.559 5.180 0 40 IKAB CN1CCC(Oc2ccc(NC(=O)CSCc3ccc(Cl)cc3Cl)cc2)CC1 222730463 SZVOPQWRMBZFEA-UHFFFAOYSA-N 439.408 5.338 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cc(Cl)cc(Cl)c4)ccc32)c1 223083773 ZLUJNPQIMUKLIM-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 223851458 BYWHALKTFZJCPY-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223903199 BJCGCNRZYHJYGK-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223915968 BINDJUFZMMWZCK-JWQCQUIFSA-N 445.636 5.631 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)c(C)c1 223945015 UJMGLRLJLOZBMR-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccco1 224157758 LJUUFMAWRDDRHM-BJKOFHAPSA-N 428.561 5.318 0 40 IKAB COc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1CSc1ccccc1 224329184 NPSULHBKNUKQSO-UHFFFAOYSA-N 436.552 5.089 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224426858 GUMDQYFYYAYDGZ-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471688 AHTCWSACFDNWJE-DNQXCXABSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1cccc(Cl)c1 224494661 HAPGHRCPXBNSJL-IBGZPJMESA-N 437.967 6.069 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cc(Cl)ccc1Cl 224886017 ZBQRKBAABVDLSF-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 225035569 VZBYORLSTPVBHU-VXKWHMMOSA-N 436.640 5.557 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225132426 LOIUXRGHKAKIGI-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@@H](C)C4)cc3)CCCCC2)cc1 225542812 WSGCRJWGYRXMOW-XMMPIXPASA-N 448.651 6.336 0 40 IKAB Cc1ccc(OCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225562931 MNUXKGVENSFWRP-UHFFFAOYSA-N 446.616 5.889 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)C)cc1 225624388 KKBAVLGUABGYIW-KRWDZBQOSA-N 435.395 5.176 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 225632407 PTIMXNSWRWDAFN-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3C[C@@H](C)C[C@H](C)C3)CCOCC2)cc1 257207251 BGZVNDNXWUXQNU-PMACEKPBSA-N 439.571 5.345 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 408600474 ZLOQSCGFYKBXDD-YBFXNURJSA-N 446.366 5.720 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)o1 408634513 VPMNDPGDDWFAER-ZDLGFXPLSA-N 430.913 5.740 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2c(C)cccc2C)C1 408639859 HIIYCAXJKRTSCK-CQSZACIVSA-N 435.749 5.019 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccc(C(=O)Nc4cc(Cl)ccc4Cl)cc3)C(=O)[C@@H]2C1 408689782 ZHPPCZUSTBCCCK-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB CC(=O)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)cc1 408813384 NVLQKRVFQOLXEK-BQCZXRGHSA-N 435.569 5.666 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Br)cc1 408820408 VYNICORKSIMJBI-WQRHYEAKSA-N 448.338 5.093 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)cc1C 408920821 OFDYCSQRRQPCJH-SFHVURJKSA-N 440.590 5.224 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4cccc(Cl)c4)C(=O)O3)sc2c1Cl 408971344 IPHDKXAYCLZMRM-WQLSENKSSA-N 438.719 6.215 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)o2)cc1C 409013543 KRJZTTAFKPOGGH-UHFFFAOYSA-N 445.972 5.255 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc2ccccc2c1 409022011 HWKNXKUGXWWEKF-BUVRLJJBSA-N 447.556 6.262 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccccc1F 409103731 BNRAEGHHEUJTCQ-WOJGMQOQSA-N 444.940 5.785 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2c(C)cccc2C)ccc1Cl 409382577 UHEAGYPMDDBTQE-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cccc(Cl)c1C 585151837 UZXCOEKPWYRWHW-UHFFFAOYSA-N 429.954 5.429 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(C)c4Cl)c3N2)cc1 867144 UVRJMJHLNDFLMU-ZWKOTPCHSA-N 448.876 6.066 0 40 IKAB CCOC(=O)c1oc2ccc(-c3c(C(F)(F)F)oc4cc(O)ccc4c3=O)cc2c1C 939008 ZPKVZXVFFFQXOU-UHFFFAOYSA-N 432.350 5.416 0 40 IKAB O=C1[C@@H]2CS[C@@H](c3ccc(Cl)cc3)N2C(=S)N1c1cccc(C(F)(F)F)c1 1064744 XVHKLEXJOAPXKI-HOCLYGCPSA-N 428.888 5.107 0 40 IKAB CCN(CC)CCC[C@@H](C)NC[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1591940 GWWCVFIERSZNLX-NIYFSFCBSA-N 440.031 5.689 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(Oc3ccc4ccccc4c3)coc2c1 1772391 XDRDUIQQYNCLSL-XNTDXEJSSA-N 434.447 6.357 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc5ccccc5o4)c3)nc2c1 1841953 APIOPLHMTHRFDN-HNNXBMFYSA-N 444.918 7.660 0 40 IKAB CCCSc1nnc2n1-c1nnc(SCCC)n1-c1sc3c(c1-2)CC[C@@H](C)C3 2296565 OUCVDKCWTDHBEK-LLVKDONJSA-N 432.644 5.019 0 40 IKAB COC(=O)CCCCCCCc1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 2383537 MAAIFHKNJAWMMM-UHFFFAOYSA-N 438.368 5.830 0 40 IKAB CCOc1cccc2cc(C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)c(=O)oc12 2951608 OAQDAVJPPNUKMB-UHFFFAOYSA-N 435.863 5.890 0 40 IKAB COc1ccc(OCCCC(=O)N(Cc2ccccc2)c2nc3c(C)cccc3s2)cc1 3455910 WTTNNQVDEQNQSZ-UHFFFAOYSA-N 446.572 6.006 0 40 IKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655583 GMKNQEMBAHHEFI-FQEVSTJZSA-N 435.426 5.738 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)NCCNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)cc1 4027209 ADXAZTWBWFPYRO-VXKWHMMOSA-N 436.640 5.223 0 40 IKAB biogenic C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCCC1)C(=O)NC1CC1 5415346 NXZNHDFPLBNYDE-MRXNPFEDSA-N 426.630 5.507 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 6232772 IVMIEWCOWQDNGP-UHFFFAOYSA-N 445.634 7.769 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccc(N(CC)CC)cc3)o2)cc1 8395329 OKLBQGSHGVSZRL-MRXNPFEDSA-N 425.554 5.345 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(-c4ccccc4)cc3)=NN21 8431609 HYUZMXWPYFYBRQ-WNJJXGMVSA-N 432.523 6.605 0 40 IKAB CC1=CC[C@@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)c2ccccc2)[C@H]1c1ccccc1 8694721 YMTDDDYWBVGJMJ-MFMCTBQISA-N 444.578 7.332 0 40 IKAB COc1ccc(OC)c(N2C[C@@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)c1 8755659 ALJIALGARQGPJP-QUCCMNQESA-N 441.531 5.183 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)cc1 8758461 TUNUXWJDPGIPJE-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 8817377 QLYJDPXFWFSPMG-XNMGPUDCSA-N 446.978 7.104 0 40 IKAB Cc1ccc(C)c(CSc2nc(CC(=O)Nc3ccc4c(c3)OCCO4)cs2)c1 8937604 XQDADQZIWDWLEF-UHFFFAOYSA-N 426.563 5.005 0 40 IKAB Cc1ccc2c(c1)[C@@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2C 9041234 YSRJNBIZEHMUJG-WIOPSUGQSA-N 429.907 5.021 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9159706 ORTBOYKLHTYEIZ-BKMJKUGQSA-N 446.934 6.434 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cccc(I)c1 9190293 QIHBGNOQXYXWEU-UHFFFAOYSA-N 439.256 5.087 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)sc1C 9304809 HLQGQBVVSRRRCE-GOSISDBHSA-N 440.883 5.409 0 40 IKAB CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1 9485300 BEUNPETWOOTZBX-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CCCCc1ccc(C(=O)NCCc2csc3nc(-c4ccc(Cl)cc4)nn23)cc1 9569037 CWKYFULHEGRMKL-UHFFFAOYSA-N 438.984 5.426 0 40 IKAB C[C@@H](Sc1nc2ccccc2n1CCc1ccccc1)c1nc2ccccc2c(=O)[nH]1 9587182 UHRLRLKLVPLCBA-QGZVFWFLSA-N 426.545 5.369 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(-c3ccccc3F)n2C2CC2)cc1 9884634 VOHSNZVUGIOENT-UHFFFAOYSA-N 444.535 5.964 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2F)cc1OC 11692010 IQDQFJDKHDLXKB-UHFFFAOYSA-N 435.476 5.337 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2c3c(ccc12)OCN(Cc1ccccn1)C3 12442651 QIUQVYVFRYWFQD-UHFFFAOYSA-N 438.405 5.226 0 40 IKAB biogenic O=C(CSc1nc(-c2ccccc2O)n[nH]1)N1c2ccccc2Sc2ccccc21 12483090 WOZDSAQDODJJBV-UHFFFAOYSA-N 432.530 5.099 0 40 IKAB Clc1cccc(CSc2nnc(Cc3cccs3)n2CCc2ccccc2)c1 12620812 NOSXGAXVBFHVPO-UHFFFAOYSA-N 426.010 6.119 0 40 IKAB Cc1sc2nc(CN3CCOCC3)nc(Oc3ccc(Cl)c4cccnc34)c2c1C 12751884 VDHVFKWHMNYDOD-UHFFFAOYSA-N 440.956 5.134 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3cc(C4CC4)nc4c3cnn4C(C)C)s2)cs1 13114240 QDIBWGSLLXZUJA-UHFFFAOYSA-N 437.594 5.313 0 40 IKAB O=C1C(Cl)=C(NC2CCCCCCCCCCC2)C(=O)N1Cc1ccc(Cl)cc1 13149342 SJNNBOJMAYWZOS-UHFFFAOYSA-N 437.411 5.922 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3ccccc3Cl)cnc2n1Cc1ccccc1 13500031 OAJUEEBFBMSQKP-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 14272099 XROCGGJKHNAVOV-UHFFFAOYSA-N 446.721 6.451 0 40 IKAB Clc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)c(Cl)c1 15079579 HTUAWXUFRLHIRK-QHHAFSJGSA-N 442.158 6.637 0 40 IKAB O=C1C[C@@H](c2ccccc2C(F)(F)F)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082148 QNIINWFLCYQQNH-ZDUSSCGKSA-N 435.398 5.745 0 40 IKAB COc1ccc([C@@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(Cl)cc2)cc1 15412322 VHRMWQGKGXFYDD-XMMPIXPASA-N 434.923 5.087 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 15947583 DIEFXTGMTRFZPK-PEBXRYMYSA-N 438.980 6.534 0 40 IKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(F)cc2)cc1OC 16227412 FXSVCIURAFBTTE-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB O=C(O)c1ccc(CNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16525970 XXCVDVRJCOICAA-UHFFFAOYSA-N 431.919 6.060 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(C)cc2)oc1NCc1ccccc1Cl 16749685 QLCXOLZCYAEAKO-UHFFFAOYSA-N 434.860 5.807 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc1Cl 17096345 IZLBUDVJARPARW-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB O=C(CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)Nc1ccc(F)cc1F 17156552 CVJDHEJJMUEDIH-UHFFFAOYSA-N 430.867 5.059 0 40 IKAB C[C@@H]1CCCCN1c1ccc2cccc(OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2n1 17245323 BHMSXMWLKZVLTC-MRXNPFEDSA-N 443.469 5.650 0 40 IKAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 17724674 NWNQOAZCDWMOGB-AMWHVFNNSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4C[C@H](C)CC[C@H]4C3=O)c2)cc1 18244593 LDFZKOYCRHBCOW-ZQMYSKGWSA-N 433.548 5.519 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3c(-c4c(Cl)cccc4Cl)noc3C)n2)cc1 19639901 LZUBFDNJGOUGFD-UHFFFAOYSA-N 444.343 6.641 0 40 IKAB COc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 20490822 IFPKEDOTUZKTNA-UHFFFAOYSA-N 427.953 5.580 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)sc2c1CCCC2 20491075 HJXFCXQREQDKLA-UHFFFAOYSA-N 446.572 5.229 0 40 IKAB Clc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 20636903 QJKDNYUDUWUNTF-UHFFFAOYSA-N 448.180 7.879 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 21580671 HZHRBAMMBCYXBL-UHFFFAOYSA-N 443.890 6.404 0 40 IKAB CCOc1ccccc1C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C 28229035 YYLKXFRJOHLILB-UHFFFAOYSA-N 434.323 5.494 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1cccc(Cl)c1N1CCCCC1 34714656 VOHLHZBDHCCLJJ-CMDGGOBGSA-N 439.770 6.298 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)cc1 35330636 CJHLZZSAUPOCBE-UHFFFAOYSA-N 442.584 7.217 0 40 IKAB CC(C)c1ccc(C(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 57313428 BUOXDEHJKIENCM-UHFFFAOYSA-N 428.985 6.459 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(Cl)c2)c1 57487946 XMXPDWRRDIRXSM-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1scc(-c2ccccc2)c1-n1cccc1 64872240 DESGMISMWANTJX-UHFFFAOYSA-N 428.435 6.357 0 40 IKAB CC(C)=C[C@H]1C[C@@H]([C@@H]2CC[C@]3(C)C4=CC[C@H]5C(C)(C)C(=O)CC[C@]5(C)[C@H]4CC[C@@]23C)CO1 66065896 WAGHSYJXJAHWPX-LLUYJYKPSA-N 438.696 7.532 0 40 IKAB biogenic,in-vitro C/C(=C/c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 72330495 LXPNMDMFGKXEDV-AMAOMMCUSA-N 439.603 5.677 0 40 IKAB Fc1ccc(COc2ccc(Br)cc2CNc2ccc(F)c(Cl)c2)cc1 107042928 CMNDLVIZASTWGY-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)cc1 210198371 VKECSZNGBSZSNT-LPYMAVHISA-N 435.932 6.468 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222855991 BTFNIJLYBQLJKV-SFHVURJKSA-N 429.004 5.167 0 40 IKAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)c1 223792921 CYFIHRSFFYBKSK-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(C(C)(C)C)cc3)cc2)cc1 224082307 LKHYMZJVPYSKJA-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 224582730 SKOAXMDUPBVQGW-VWLOTQADSA-N 446.591 5.107 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(C)cc2)cc1COc1ccc2ccccc2c1 224638647 OXDCERMIWMBYPS-UHFFFAOYSA-N 425.528 6.056 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)o2)cc1 224858625 XXEUPGLYHNLIBP-UHFFFAOYSA-N 438.833 5.984 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225602067 LILDXWAZSFBVAF-KKSFZXQISA-N 435.395 5.258 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccncc3C)CC2)on1 257257560 KQCVWQSOYPJZNO-WGSAOQKQSA-N 447.583 5.145 0 40 IKAB NC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2F)CC1 257270176 MTBKBOGQJBDGSK-SAABIXHNSA-N 438.568 5.162 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3cc(F)cc(F)c3)c(-c3ccccc3)c2c1 257305155 SORAEYZOHBFUQQ-UHFFFAOYSA-N 434.442 5.149 0 40 IKAB O=C1CS[C@@H](c2cccc(OCc3ccccc3Cl)c2)N1c1ccc(Cl)cc1 408558114 PVYWOJCDNVDKJQ-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 408630082 NHVRRQJEYADPEL-SFHVURJKSA-N 434.495 6.329 0 40 IKAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408642653 PIPKJSXUIZHKST-HXUWFJFHSA-N 444.531 5.486 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 408673006 WBWAFATWXIGSDW-HXUWFJFHSA-N 443.543 5.370 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408696232 YHKDYRGGCRSMIN-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1cc(OC)ccc1OC 408835490 XDZSWPVRSYFPDE-UHFFFAOYSA-N 440.609 5.935 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 409027925 GDMOJYVLRUDVLH-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)c(C)c1 409179085 PSTUBPAFOLFQII-UOKUJXLTSA-N 436.599 7.161 0 40 IKAB O=C1N/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccc(F)cc1 409232369 OHNKFMIMZPZMBN-OEAKJJBVSA-N 443.453 5.061 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C 725714 CVIRNRVIYGCZGX-CLOONOSVSA-N 430.523 6.139 0 40 IKAB O=C(COC(=O)c1ccc(COc2ccc(Br)cc2)cc1)c1ccccc1 992838 PBVWXXLGYJUWBZ-UHFFFAOYSA-N 425.278 5.068 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)c5ccccc5)nnc4c23)C1 1339626 XZKOJZDLCVXNCV-ZDUSSCGKSA-N 434.590 5.316 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1371065 DJBZBYDLMCUQFK-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 1783377 MHQSSXOZMKPOEQ-UHFFFAOYSA-N 425.966 6.051 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)cc3C)c2c1 2074110 IALUWTRPBHWDTG-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB O=C1c2cc(Br)ccc2N[C@@H](c2ccc3c(c2)OCO3)N1c1cccc(F)c1 2745255 PCPJKCVHCLKPIL-HXUWFJFHSA-N 441.256 5.088 0 40 IKAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc(NC(=O)c2ccccc2Cl)cc1 2751866 JNTDMWIEZJTRFZ-XMSQKQJNSA-N 426.944 5.014 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc4c(c3)oc3ccccc34)sc2c1 3165778 TVIZSROIJQHAOZ-UHFFFAOYSA-N 434.542 6.325 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)cc1Cl 3311327 BVIURKXOXQVALD-FQEVSTJZSA-N 447.840 6.204 0 40 IKAB Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)=C[C@@](C)(c1ccc(Cl)cc1)N2 3348818 IIRXKZFVLQOQMX-SANMLTNESA-N 446.381 7.260 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC(C)(C)CC4=O)c1 3368327 SBAWUHYPJFWFPE-UHFFFAOYSA-N 447.556 6.159 0 40 IKAB CCc1cccc2c(C(=O)COC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)c[nH]c12 3445274 WJGYEVZTILNVGE-UHFFFAOYSA-N 439.874 5.057 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 4181387 VAWZYEBCDGJDBN-OETTXPGDSA-N 445.990 6.883 0 40 IKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 8431647 GBSAGACUTNJOCD-HFSBSBEISA-N 426.947 6.777 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902781 YPMYKSWWZARZRH-AWEZNQCLSA-N 435.505 5.571 0 40 IKAB COc1cccc2cc(C(=O)N(Cc3cccnc3)c3nc4c(Cl)cccc4s3)oc12 8962692 UZZFUAIVTQPLPQ-UHFFFAOYSA-N 449.919 5.947 0 40 IKAB N=C1C2=C3Nc4ccccc4C(=O)N3CCCC2=NN1c1c(Cl)cc(Cl)cc1Cl 9090660 HLLLTLWENOIYDY-UHFFFAOYSA-N 446.725 5.373 0 40 IKAB CN(Cc1nc(-c2ccccc2)no1)C(=O)c1cc(Cl)ccc1OCc1ccccc1 9095293 RIQYIAIYLOCGFG-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccccc1Br 9136342 QZSULTMYSKVRJX-UHFFFAOYSA-N 435.321 5.181 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 9157393 GXZVTGJMFCLTNS-GOSISDBHSA-N 429.295 5.010 0 40 IKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccccc2F)c(=O)c2ccccc21 9215979 MPCRQFNTUNMTST-UHFFFAOYSA-N 428.507 5.894 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1c(F)cccc1Cl)c1ccccc1 9284969 CYPYREHJIHAULH-NRFANRHFSA-N 427.859 5.333 0 40 IKAB Cn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 9308373 MGTDNBUTFODBMM-UHFFFAOYSA-N 430.577 5.664 0 40 IKAB C[C@@H]1C[C@@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)C(=O)O1 9336623 JVYSRNRPBBQUBS-CWTRNNRKSA-N 437.908 5.401 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCCOC(C)C)cc1 9355433 LFSJMNAZRKZGAB-NDEPHWFRSA-N 438.571 6.504 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cc(OC)ccc2OC)n(C)c2ccccc12 9426288 BTUQWOVZXCJFML-MHZLTWQESA-N 440.543 5.818 0 40 IKAB CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2ccccc2C(F)(F)F)cc1 9443657 CUESBKSVBJXBBK-FQEVSTJZSA-N 447.457 5.151 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)COc1ccccc1C(=O)Nc1ccccc1 9501486 IHBXUBOTYYZPJW-KRWDZBQOSA-N 445.544 5.147 0 40 IKAB COc1cc(N[C@H](c2ccc(Cl)cc2)c2nnc(-c3cccc(F)c3)o2)cc(OC)c1 9561414 YQGVRCJTPNFINV-OAQYLSRUSA-N 439.874 5.748 0 40 IKAB COc1ccc(CSc2nnc(-c3ccncc3)n2-c2ccc(Cl)cc2)cc1F 9670406 BVNLAWQYTXVIDX-UHFFFAOYSA-N 426.904 5.423 0 40 IKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 9675879 WLMQXQZFGDQYHN-UHFFFAOYSA-N 444.332 6.402 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2ccc(Br)cc23)cc1 9675946 YBWZCFYYPABUTK-UHFFFAOYSA-N 432.296 6.451 0 40 IKAB Cc1ccc(Cn2nc(C)c([C@H]3Nc4ccccc4C(=O)N3Cc3ccco3)c2C)cc1 9740545 GKUNWPXVSDZRNJ-VWLOTQADSA-N 426.520 5.216 0 40 IKAB COc1cccc(C(=O)N(Cc2ccncc2)c2nc3c(C)ccc(C)c3s2)c1OC 10254333 WRTUBDXGAMSUNK-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1cccc(F)c1)OCCO2 10490656 JSPFQPORXOUYDA-UHFFFAOYSA-N 426.831 5.125 0 40 IKAB COc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1OC 12196778 TXROMJPSJISKAU-NLFFAJNJSA-N 434.467 5.094 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc(F)c(F)c1F 12635324 MUKHTQHLTBJCNG-UHFFFAOYSA-N 439.462 5.892 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CCSc1nc2ccsc2c(=O)n1C 12777157 YXZSFTCBBQXEEF-UHFFFAOYSA-N 429.611 5.363 0 40 IKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1=S 13071948 FBIFKKWAHREGAA-HXUWFJFHSA-N 446.979 5.142 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 13301601 OBLRYJOBGAYEPF-INYGDSQJSA-N 443.497 6.793 0 40 IKAB Cc1cccc(N(C(=O)c2ccoc2C)[C@H](C(=O)NC2CCCC2)c2ccc(F)cc2)c1 13503528 OPLWZENGQSMPKG-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 13955539 LJBYWYWIOGJJHK-DWXRJYCRSA-N 431.580 5.497 0 40 IKAB Cc1cc(C)nc(NC2=N[C@@H]3CCCC[C@@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 15988937 WTDXSHNXEDCIFK-SJORKVTESA-N 433.343 5.027 0 40 IKAB O=S(=O)(Nc1ccc2c(c1)Sc1ccccc1O2)c1ccccc1Br 16525018 OGVCGWLFBFTPSQ-UHFFFAOYSA-N 434.336 5.507 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nc2c1 16610665 HKRGAQBXRPRNEI-PRDNPTHXSA-N 438.571 7.784 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 17096600 DTPBCYWDNMOWTR-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCCCOCCOC(=O)C[C@H](/C=C(\C)CC(C)(C)C)C(=O)OCCOCCCC 17302474 FBEWUFDEEMXRNN-NUTRWHQKSA-N 428.610 5.095 0 40 IKAB Cc1nc([C@@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccccc1Cl 19738745 CVZOKVPATBZNFZ-HSZRJFAPSA-N 437.049 5.446 0 40 IKAB c1cncc(-c2nc(Sc3nnc(-c4cccs4)n3C3CC3)c3ccccc3n2)c1 22023766 IRZNRKCHSYZNBR-UHFFFAOYSA-N 428.546 5.498 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cccc(OCc2ccccc2Cl)c1 22258005 LXKZKGMYNVRJBA-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24832003 UBLCTZDSIRGNGL-UHFFFAOYSA-N 445.544 5.343 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 26780050 QETSMPMCEHQLGZ-UHFFFAOYSA-N 448.759 5.075 0 40 IKAB CCOc1ccc(N(Cc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 28579262 CEDFKRKQNHZOPT-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB O=C(Nc1ccc(Br)cc1F)[C@@H]1CCCN(Cc2ccccc2Cl)C1 30938509 FOIGEMQGQLXXIU-CQSZACIVSA-N 425.729 5.092 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32114611 PDAUQPCNRNDSMT-UHFFFAOYSA-N 428.488 6.035 0 40 IKAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 32815130 GLLIFOOPPYVDSS-IGNZVWTISA-N 436.861 5.169 0 40 IKAB COc1ccc(-c2noc(Cc3nc(-c4ccc(Br)cc4)cs3)n2)cc1 33298199 UTVOCLBIXPCIQS-UHFFFAOYSA-N 428.311 5.222 0 40 IKAB O=C(Nc1ccc(Nc2cc(-n3cccn3)ncn2)cc1)C(c1ccccc1)c1ccccc1 36705516 KFGIUOSJUISBSW-UHFFFAOYSA-N 446.514 5.177 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)no2)cc1OC 46087007 MLZFRZDALLGQFH-UHFFFAOYSA-N 426.778 5.283 0 40 IKAB CCC(=O)Nc1nc2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2s1 57315684 YBOLWPJLWIGAKG-UHFFFAOYSA-N 438.734 5.313 0 40 IKAB O=C(CSc1nnc(-c2ccsc2)c(-c2ccsc2)n1)c1ccc2c(c1)CCC2 57761770 NCSVNZTYABZVQN-UHFFFAOYSA-N 435.599 5.792 0 40 IKAB Cc1c([C@@H](C)NC(=O)N[C@@H](C(=O)Nc2ccccc2)c2ccccc2)oc2ccccc12 58167469 NYHZDLFVEBSRDM-WZONZLPQSA-N 427.504 5.481 0 40 IKAB COc1ccc(CSc2nnc3sc4ccccc4n23)c(Br)c1OC 58391933 BJJLKGYTYVYVQG-UHFFFAOYSA-N 436.356 5.016 0 40 IKAB CC[C@@H](NC(=O)CCc1ccc(Cl)cc1)c1noc(-c2cccc(Br)c2)n1 84734891 RWADQZYTTSZRKV-QGZVFWFLSA-N 448.748 5.353 0 40 IKAB CCN1C/C(=C/c2cc(C)c(OC(F)F)c(C)c2)c2nc3ccccc3c(C(=O)O)c2C1 96767627 DZYPBJQHTDCBQD-BOPFTXTBSA-N 438.474 5.527 0 40 IKAB FC(F)(F)[C@@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@@H]2SC3=C(CCCC3)N21 102197085 LPNUZJDVGVVRFO-SFTDATJTSA-N 430.499 5.591 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)o2)cc1C 108189304 XFHIDKCKWAOVKV-UHFFFAOYSA-N 429.903 6.700 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1nc(C(F)(F)F)cs1 199555962 NGTMMEPBAPUXRE-UHFFFAOYSA-N 442.179 6.218 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 222648268 NHRWOYZUSOUURW-BULFRSBZSA-N 437.653 6.362 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(Cl)cc3Cl)N21 222684234 YZYXAYNRCWHIMY-GQWLDOHISA-N 443.403 6.159 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(OC)cc1 223719222 BBLVVUFYZDNFSH-NRPPHEFGSA-N 434.561 5.104 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223900556 BEHKGRBDWUDWIM-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224111629 WMFPGVZTVQBHRO-QGZVFWFLSA-N 447.406 5.055 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1cccc(Cl)c1 224491355 FMBOGNMSXVZNOC-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc4ccccc34)c2)cc1 224632532 PFPYPDKHEBOQEV-UHFFFAOYSA-N 441.527 6.469 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc2ccccc2c1 224641928 NAAIRMARWJUDKV-UHFFFAOYSA-N 433.454 6.348 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 224701321 NOUNPDHPQFUSTJ-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225136459 HOAMPGUTBILGLW-MSOLQXFVSA-N 433.017 5.154 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3cccc(F)c3)cs2)cc1 225251500 IWUQXAUMAGKWGA-XDHOZWIPSA-N 427.526 5.222 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)N1CCS[C@H](c2cc(F)ccc2F)CC1 225743863 BNRBPOALJPTZCR-SFHVURJKSA-N 431.426 5.069 0 40 IKAB S=C(NCc1nc(-c2cccs2)no1)Nc1ccc(CSc2ccccc2)cc1 225827029 JBFHEAKLPIPZKX-UHFFFAOYSA-N 438.603 5.577 0 40 IKAB COc1cc(C(=S)NCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 408575257 NLWJSNVNZVEJSZ-UHFFFAOYSA-N 441.936 5.122 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)cc(Br)c1OC(C)C 408612261 VCFBTIDLCCRTCM-UHFFFAOYSA-N 443.179 5.928 0 40 IKAB Cc1ccc(-n2nc(C(=O)NCc3ccccc3)nc2-c2cccc(Cl)c2)cc1Cl 408692394 LOZCWNLDFSUVPQ-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB COc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1Cl 409067547 YUFHMRRBFAWKPU-UHFFFAOYSA-N 448.950 5.507 0 40 IKAB CCCc1sc2nc(SCc3ccc(F)cc3)n(-c3cccc(C)c3)c(=O)c2c1C 409109339 BXDFJPJNVYIQOT-UHFFFAOYSA-N 438.593 6.448 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 409112816 CCNHYNPIHZVVKP-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB CCOc1ccc(CC[C@@H]2O[C@@H]3c4cc(OC)ccc4OC(C)(C)[C@H]3C[C@@H]2C(=O)O)cc1 585264839 QDTZMXYQLNQAHF-GRSYGWAWSA-N 440.536 5.045 0 40 IKAB CC(C)(C)CC(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1Cc1ccccc1 643581902 BJVVJUKFTXSEME-VWLOTQADSA-N 442.603 6.067 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cccc(-c4ccc(OC)cc4)c3C)n(C)n2)cc1 643586767 CCSSTFDMTFPVPN-UHFFFAOYSA-N 427.504 5.332 0 40 IKAB O=c1c2cc(F)c(F)cc2nc(SCc2nc(-c3ccc(Cl)cc3)no2)n1C1CC1 2087187291 JCAMKSVSYZOGLY-UHFFFAOYSA-N 446.866 5.005 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)c3sc4ccccc4c3Cl)s2)cc1OC 804727 XJNJXABTSKUNNV-UHFFFAOYSA-N 445.953 5.267 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=S)NCc3ccccc3)C3CCCCC3)cc2c1 879373 CKHVGJFFVUXUJI-UHFFFAOYSA-N 449.620 5.136 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 1000377 UURTVELKXITVFV-UHFFFAOYSA-N 433.533 5.587 0 40 IKAB CCc1cc([C@@H](c2ccccc2OC)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1235998 MOYHVGLQPRVQOM-XMMPIXPASA-N 434.605 6.147 0 40 IKAB O=C(c1ccccc1Br)N1CCC(c2nc(-c3ccccc3Cl)no2)CC1 1359437 LVQMUPJDDPRKSS-UHFFFAOYSA-N 446.732 5.172 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C)C3 1819018 DUGXRKKJRBPMIB-MRXNPFEDSA-N 442.650 6.253 0 40 IKAB Cc1cc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc(C)c1Cl 1899486 OHXQAQQTDPTBMU-UHFFFAOYSA-N 439.342 6.066 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 2094956 LOTDTZIXEYTCTC-QFIPXVFZSA-N 438.528 5.404 0 40 IKAB O=C(COC(=O)c1cccc(N2Cc3ccccc3C2)c1)c1ccc(-c2ccccc2)cc1 2186915 IZGRBCJMPGBTPG-UHFFFAOYSA-N 433.507 5.914 0 40 IKAB Cn1c(SCC(=O)c2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2267131 OYXXMDYSSKXUCZ-UHFFFAOYSA-N 430.573 5.180 0 40 IKAB Cn1c(=O)c2c3c(sc2n2c(SCc4ccccc4)nnc12)C[C@H](C(C)(C)C)CC3 2292431 HKBSCKUBGZACEN-OAHLLOKOSA-N 438.622 5.086 0 40 IKAB CCN(CC)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1 2449201 TULJCLIVVAVXLI-UHFFFAOYSA-N 436.625 5.501 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccc(F)cc1 2704506 OVSCUDONUFCQPC-OAQYLSRUSA-N 435.838 5.037 0 40 IKAB Cc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733548 AWCWGNITDADQSI-UHFFFAOYSA-N 432.999 6.732 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012852 HKFBHCHIJUOPSX-DZGCQCFKSA-N 445.228 5.696 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](C)CCc3ccccc3)s2)cc1C 3221242 ZAGSRPXEILYTJP-KRWDZBQOSA-N 426.611 5.128 0 40 IKAB Cc1ccc(NC(=S)NCc2ccc(CNC(=S)Nc3ccc(C)cc3)cc2)cc1 3285603 DEMILZZEVPJEPD-UHFFFAOYSA-N 434.634 5.277 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2CCCCC2)cc1 3300482 GMHWGMCGXCHQFW-VZUCSPMQSA-N 433.335 5.179 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1 6075364 MNKYHFFUTDNGAM-UBKPWBPPSA-N 432.951 6.542 0 40 IKAB CCOc1cc(C(=O)Nc2nc(-c3ccccc3)c(C)s2)cc(OCC)c1OCC 6600403 AYUIZEZSNPXCTN-UHFFFAOYSA-N 426.538 5.567 0 40 IKAB CC1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)CC1 6634566 BGWAFHYACKIQPE-DCLJBZIWSA-N 427.592 5.542 0 40 IKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717700 RAQSTIMHJILCDJ-RUZDIDTESA-N 443.978 5.876 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8739139 VPKVOZMFVMSPSR-AHKZPQOWSA-N 446.978 7.151 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Br)cccc34)c2C(N)=O)C1 8832462 BUTLRVUAPUENAI-NSHDSACASA-N 443.366 5.140 0 40 IKAB CC(C)(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1 8869664 RSYLKIYELFFQKX-HSZRJFAPSA-N 441.637 5.111 0 40 IKAB Cc1cc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)ccc1Br 9063679 WERSPSRXTQIBMG-UHFFFAOYSA-N 439.756 5.401 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)cc2)c1C 9562929 KOJNBRYOYCYLTA-UHFFFAOYSA-N 444.560 5.365 0 40 IKAB Cc1ccc(N(C(=O)Cc2ccc3c(c2)OCCO3)c2nc3ccccc3s2)cc1F 9591498 YZNQZJDPNPIKSQ-UHFFFAOYSA-N 434.492 5.422 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C 9632410 YBJGVYLIPFDJDN-UHFFFAOYSA-N 429.954 5.952 0 40 IKAB CC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2Oc2c(C)cc(Cl)cc2C)CC1 9767937 CLBDBPZWYANEPN-UHFFFAOYSA-N 435.351 5.600 0 40 IKAB CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3cccc(Cl)c3)n2)c1 9784901 CSXAKMLBAZYAKW-UHFFFAOYSA-N 432.958 5.344 0 40 IKAB Cc1nnc(SCC(=O)Nc2ccccc2C(=O)Nc2ccccc2)n1C1CCCCC1 9868148 KMZDCGAFCODCKS-UHFFFAOYSA-N 449.580 5.075 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc2oc(=O)ccc2c1 10128804 JPCNGJWDGLFIDX-WEVVVXLNSA-N 426.255 6.012 0 40 IKAB O=C(C[C@H](Sc1nnc(-c2ccccc2)[nH]1)c1ccccc1)NCCc1ccccc1 10381791 SBKQCZAYBOHLOW-QFIPXVFZSA-N 428.561 5.054 0 40 IKAB O[C@H]([C@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1)C(Cl)(Cl)Cl 12376625 OVYMARCHHCDVLL-LEWJYISDSA-N 445.777 5.948 0 40 IKAB Cc1nc(COc2cccc(C(=O)N[C@@H](c3ccccc3)c3ccc(Cl)cc3)c2)cs1 12700871 GQNQXTAYUCOKAV-DEOSSOPVSA-N 448.975 6.203 0 40 IKAB Cc1ccc(CN(C)[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 13040513 SENXMCFHFNFWKD-JOCHJYFZSA-N 446.900 6.479 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2NC(=O)CN2CCC[C@@H]2c2cccs2)cc1 13112736 MBTLCFZQOJYVPP-JOCHJYFZSA-N 449.576 5.175 0 40 IKAB CCCCCc1ccc(C(=O)CCC(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 13526085 PCAILMSYEOCYJT-MRXNPFEDSA-N 430.932 5.001 0 40 IKAB COc1ccc2c(c1)c(-c1csc(NC(=O)c3ccc(Cl)nc3Cl)n1)c(C)n2C 13549311 XFIYCDMNNMCOAR-UHFFFAOYSA-N 447.347 5.573 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)C1CCN(C(=O)C2CC2)CC1 14625052 FHQSTQIUFBDDQH-UHFFFAOYSA-N 443.619 5.187 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN(C)[C@H](c2ccccc2)c2ccc(F)cc2)c1Cl 14814246 VQWMAANBKGCQNG-HSZRJFAPSA-N 431.338 6.101 0 40 IKAB O=C(CSc1ccc(Cl)cc1)c1cc(Br)cc(Br)c1O 15229088 CGNCOQZTGCPASY-UHFFFAOYSA-N 436.552 5.546 0 40 IKAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccccc2Cl)C1)Nc1ccccc1Cl 16450362 KCCFPAJBOLQVHE-HOTGVXAUSA-N 449.382 5.743 0 40 IKAB CC(C)CCCOC(=O)Nc1ccc(Cc2ccc(NC(=O)OCCC(C)C)cc2)cc1 16575129 GOTCATMPIGQBAA-UHFFFAOYSA-N 440.584 6.857 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)nc3c2)c(F)c1F 17096797 BBPQPVFQAHXKIA-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1F 17121041 CIQVHUXBVKWYFF-UHFFFAOYSA-N 426.904 5.228 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4C[C@@H](C)C[C@@H](C)C4)ncnc32)cc1 18209719 KBLAWJVQNXOOKK-BGYRXZFFSA-N 426.564 5.969 0 40 IKAB CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)nc1 19688320 YAANRDLXSBGGLZ-OAQYLSRUSA-N 435.593 5.164 0 40 IKAB Cc1ccc(C2(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)CCCC2)cc1 20096600 UYOPMTDUTIYQTN-UHFFFAOYSA-N 432.486 5.301 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc(OCC)c1OCC 20143429 ZCQYAJDHDFUZDY-UHFFFAOYSA-N 439.508 5.196 0 40 IKAB O=C(NC(=S)Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc2ccccc2c1 20152263 FADLOQFEFJSSNQ-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB Cn1c(C(=O)NCc2cccc(Br)c2)cc2cc(Oc3ccccc3)ccc21 20945528 HGZCNLYZDYITFF-UHFFFAOYSA-N 435.321 5.663 0 40 IKAB Cc1cc(C)c(NC(=O)CCc2nc(CSc3nc4ccccc4s3)no2)c(C)c1 21721587 WPFVEFYJDLTSJS-UHFFFAOYSA-N 438.578 5.468 0 40 IKAB CCc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc4c(c3)CCCC4)n3ccccc23)cc1 22760585 BGGXQLUICKWTRN-UHFFFAOYSA-N 437.543 5.446 0 40 IKAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)cc2NC1=O 23057831 HTMCEMPZQJWWLE-ZDUSSCGKSA-N 426.394 5.344 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1nc(-c2ccco2)no1 29738687 SUWAQNRVEDLLDA-AWEZNQCLSA-N 441.582 5.932 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)oc12 30751677 RMXPEEHRANOJGF-UHFFFAOYSA-N 442.515 6.244 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 30943328 POMHTLROKNOQMD-FQEVSTJZSA-N 428.960 5.148 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1 32692468 LMIXCUNOYVLHRC-UHFFFAOYSA-N 427.529 5.550 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OC[C@@H]2CCCO2)c1 32776651 NYBWREXGGZWUGC-SFHVURJKSA-N 428.941 5.203 0 40 IKAB COc1ccc(NC(=O)c2ccccc2SCC(=O)NC(C)C)cc1Cc1ccccc1 33236029 RFJZBLOHYKEABM-UHFFFAOYSA-N 448.588 5.155 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501528 VLKPNPGUTVKVLX-UHFFFAOYSA-N 441.384 5.260 0 40 IKAB CC(C)n1c(CN2CCCCC2)nc2cc(NC(=O)COc3ccccc3Cl)ccc21 65322290 SYVZLASWXJXSGE-UHFFFAOYSA-N 440.975 5.274 0 40 IKAB C[C@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F 84647350 GWTMAORNGZWVCK-VIFPVBQESA-N 431.295 5.009 0 40 IKAB CCN(CC)CCCNC(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037905 KIROWLOKLDVXJI-UHFFFAOYSA-N 434.565 5.080 0 40 IKAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 100492222 ZVHRVPRHMLWDIV-LJWNLINESA-N 444.534 5.795 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C1=O 101050708 DNRSHPPENRRNNQ-MZYLBHOOSA-N 432.907 5.008 0 40 IKAB CCn1c(SCC(=O)N[C@@H](C)c2ccccc2)nnc1-c1cc2cc(Cl)ccc2o1 107726131 FYGQLQXLJRIKSV-AWEZNQCLSA-N 440.956 5.334 0 40 IKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(Cl)cc4)C3=O)o2)cc1 214192857 FXJKQEDGQYDRIG-CIAFOILYSA-N 437.904 6.039 0 40 IKAB C[C@@H]1C[C@@H](C)CN(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)C1 215683444 WOTUQJMIKNKYIM-GHMZBOCLSA-N 439.528 5.744 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)C2(c3ccccc3)CCOCC2)c1 223191452 LKBFNJXMKOMDBK-UHFFFAOYSA-N 437.923 5.828 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 223453624 UJMKCUDFOVPCMN-PKTZIBPZSA-N 445.979 5.093 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 223563180 CXZZNRDWCGZDJY-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)N1CCCCCC1 223909246 ZBAKFKBAALTWGD-UHFFFAOYSA-N 434.964 5.367 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 224400416 YPFADRVQSDCPBS-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224486118 SIZGRAHYKISALL-PMACEKPBSA-N 441.398 5.404 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 224653901 PKVVORMPGOXTSB-VWLOTQADSA-N 438.612 5.042 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224794045 SPFCAMHDZMGFNI-MHZLTWQESA-N 442.603 5.011 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(Cl)c1 225095750 IZMOAQIRQNGCTA-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225386613 YXQRMVPWNVCWQH-AREMUKBSSA-N 446.591 5.115 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225482586 YZBADDWLJBGLNT-NFBKMPQASA-N 426.626 5.032 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 225523794 IUHWBEWVUHDNEF-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCSCc2cccc(C)c2)ccc1Cl 225604617 TWOFWYXECOPAFA-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(OC3CCCC3)cc1)CC(C)(C)O2 225684140 JJHKUXZIMLCSNC-NRFANRHFSA-N 426.582 5.605 0 40 IKAB Cc1cccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)c1 225814732 MIARLZSWYBCQAO-UHFFFAOYSA-N 445.906 5.501 0 40 IKAB Cc1nn(C)c2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5cccc(Cl)c5)n4)C3)cc12 257209701 BROMLNHADUOPOS-HXUWFJFHSA-N 444.966 5.617 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3ccncc23)CC1 257282885 OVRPANCSEOTKEB-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4nccc5ccccc45)C3)c2)cc1 257330902 XQMNJHJMBQFHAZ-QFIPXVFZSA-N 437.543 5.634 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408558569 UWXMKYUPJNJVGN-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 408618743 FKMIJNQIQLHRFX-FPMFRTRJSA-N 448.349 5.738 0 40 IKAB CCOc1ccccc1N(Cc1ccccc1Cl)S(=O)(=O)c1ccc(OC)cc1 408628050 SEGXGOLCCUXDRE-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1C 408644530 GJVZPAIGFLDSCQ-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB CCCc1sc2nc(SCc3ccccc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 409120456 WAISWERWOAGREJ-UHFFFAOYSA-N 441.021 6.654 0 40 IKAB O=Cc1ccc(-c2ccc(Cl)c(C(=O)OCC(=O)Nc3cccc4ccccc34)c2)o1 409173944 PXDLXBCSCRSHFF-UHFFFAOYSA-N 433.847 5.361 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2)nnc1-c1cc2cc(Cl)ccc2o1 409350710 YTLAUTWYLYTDRP-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB CCOc1ccccc1C(=O)N1CCCCCCCN(C(=O)C(C)C)c2ccccc2C1 2037884956 LNCMDRDZFCOBGA-UHFFFAOYSA-N 436.596 5.681 0 40 IKAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 642744 WKYPZKXVKJINFI-LLVKDONJSA-N 443.135 5.016 0 40 IKAB CCc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1 1349310 FLPSMXUKPLFVIS-UHFFFAOYSA-N 426.586 5.031 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3ccc(C4CCCCC4)cc3)C2)cc1 1361893 IKAQHNHXTMJDPK-JOCHJYFZSA-N 440.609 5.082 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 1940227 FLCJIRPEVLQBGX-TZMCWYRMSA-N 435.973 5.417 0 40 IKAB O=c1c(SCc2ccccc2)c(SCc2ccccc2)cnn1Cc1ccccc1 2183683 JBPUYTNUPHYESN-UHFFFAOYSA-N 430.598 5.876 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4Cl)c23)CO1 2214431 RTPNNUBIVCBRGN-HXUWFJFHSA-N 437.055 6.600 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@@H]1c1cccs1 2257251 MGOLEUARBKVJGG-LEWJYISDSA-N 448.548 5.761 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 2443535 NQNCLOZHOYJHFD-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ncnc2sc3c(c12)CCCC3 2447976 YSUSPOKUMPGTHN-UHFFFAOYSA-N 433.986 5.271 0 40 IKAB CCOc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)cc1 2788211 POWNGYSRJMWKSK-UHFFFAOYSA-N 446.532 5.456 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1ccc(OC(F)(F)F)cc1 3288019 XNILBTNLUHJNIF-UHFFFAOYSA-N 445.418 5.572 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccccc1)NCCc1c[nH]c2ccccc12 3332101 LTGSRWPWAXDWQN-FOCLMDBBSA-N 432.527 5.393 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@H]2CCOC2=O)c(C)c1 3346813 FWGJICKVFRHHHA-QFIPXVFZSA-N 429.545 5.036 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)N(C1CCCCC1)C1CCCCC1 3351907 FNOGHTMUBHKAQP-UHFFFAOYSA-N 449.620 6.231 0 40 IKAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 3382739 YKMWOOCJKQTSFU-UHFFFAOYSA-N 431.333 5.937 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 3865103 KVALJVQIKPOBBW-BPNKWYOKSA-N 447.531 5.964 0 40 IKAB COC(=O)CCC(=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 4805130 OYPYMNFOUYYNKV-WZHKHAFFSA-N 432.601 5.099 0 40 IKAB COc1cc2c(cc1OC)[C@H](C)N(C[C@H]1C(=O)O[C@@H]3C[C@@]4(C)CCCC(C)=C4C[C@H]13)CC2 8763182 MAZWREUQDXJNBZ-SWNKSKJGSA-N 439.596 5.081 0 40 IKAB biogenic COc1ccc(-c2cs/c(=N/c3ccc(C)cc3)n2CCc2c[nH]c3ccccc23)cc1 8771452 DCULDLKTBTYBQB-ORIPQNMZSA-N 439.584 6.490 0 40 IKAB CCCCCSc1ncnc2c1sc1nc(-c3ccco3)c3c(c12)CC(C)(C)OC3 8816814 UZQQUYDQOIIEOB-UHFFFAOYSA-N 439.606 6.633 0 40 IKAB Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 8828212 VRNNANWOQHQFLM-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1C 9060439 HXRKPYXTLYZXLZ-IBGZPJMESA-N 432.499 5.219 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)nc3c(cnn3C(C)C)c2C)cc1 9155873 MBMFDBNQEBVNFY-VWLOTQADSA-N 448.611 5.714 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(N2CCCCC2)cc1 9376455 FSUPMMCPZKUNIY-UHFFFAOYSA-N 425.583 5.003 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)CSc2nnc(-c3ccoc3C)o2)cc1 9665098 IMZUGCQCMABTMY-UHFFFAOYSA-N 441.534 5.034 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@@H](c2nc3ccccc3s2)C1 10025355 GWQWWCUYBUNNON-CQSZACIVSA-N 428.941 5.131 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 10036898 WNANSBBVEMCLPA-HSZRJFAPSA-N 432.911 5.253 0 40 IKAB CCOc1ccc(N2C(=O)N(Cc3cc(C)ccc3C)c3ccccc3S2(=O)=O)cc1 10273002 DPHFIBRFZQCEML-UHFFFAOYSA-N 436.533 5.038 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2C)cc1 10357766 DVMRSBHWARHVOW-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 11073773 GSHZXVHPQJBNJQ-OAHLLOKOSA-N 425.326 5.014 0 40 IKAB CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(F)cc2)cc1 11692016 LJPGWXYJJYLHRD-UHFFFAOYSA-N 427.479 5.162 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccc(Cl)c(Cl)c1 12352819 JOIDGNSJDYTPRQ-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)OCc1csc(-c2ccccc2Cl)n1 12425750 TWBWYJUZDMWEQG-KRWDZBQOSA-N 430.938 5.010 0 40 IKAB Cc1noc(C)c1CCC(=O)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12576887 VBXDDSBRFNYWQR-NRFANRHFSA-N 442.441 5.025 0 40 IKAB CCc1ccc(-c2csc(NC(=O)[C@@H](C)Sc3nc(-c4ccccc4)n[nH]3)n2)cc1 12616541 TZAMQGGIFSSCAA-CQSZACIVSA-N 435.578 5.277 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)/C(=C/c1ccc(OC(F)F)cc1)c1ccccc1 12935670 VIAZWWPNMJLILS-XQNSMLJCSA-N 448.469 5.816 0 40 IKAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 13016561 LNNAWSIYHVAWSZ-UHFFFAOYSA-N 428.463 5.084 0 40 IKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc5c(C(F)(F)F)cc(=O)oc5c4)cc3c2C1 13097573 PQZIWNBHOWARDT-LBPRGKRZSA-N 441.405 5.637 0 40 IKAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1cc(Cl)ccc1Oc1ccccc1 13717374 RAIZEJBOOOQRDJ-UHFFFAOYSA-N 434.879 5.147 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1cccc(Br)c1 13958588 AONZIJOODQEDBD-UHFFFAOYSA-N 428.138 6.132 0 40 IKAB O=C(CSCc1ccc(F)cc1)Nc1nc(-c2cc(Cl)sc2Cl)cs1 14637605 ZKPDVVMNZAJOTD-UHFFFAOYSA-N 433.382 6.189 0 40 IKAB Cc1ccc(C(=O)[C@@H](OC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccc(C)cc2)cc1 15088846 GULHQQNIROVFJX-NRFANRHFSA-N 448.733 6.440 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cc4c(cc2Cl)OCO4)N3)C1 15945748 VORJTHCALATLOZ-WYRIXSBYSA-N 432.973 6.100 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=S)Nc1ccc(Cl)cc1 16268151 WEARIXFFLCOFAJ-UHFFFAOYSA-N 425.941 5.718 0 40 IKAB CC[C@@H](C)c1ccc(OCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 16903829 QCXHBKVNFXHHIS-OAQYLSRUSA-N 447.623 5.868 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17095836 RDSYMZAEDRFHIP-UHFFFAOYSA-N 428.488 5.972 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)c4ccccc4)cc3)nc2c1 17096605 LFWSLZINSTVOLU-UHFFFAOYSA-N 429.545 5.423 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2Cc2ccc(OC)c(OC)c2)n1 19525605 MHZYQRMVNLSUOL-JOCHJYFZSA-N 432.568 5.236 0 40 IKAB Cc1n[nH]c(O)c1[C@H](c1ccc(OCc2cccc3ccccc23)cc1)c1c(O)n[nH]c1C 19586225 BZIMVYLIUWWSDE-UHFFFAOYSA-N 440.503 5.073 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 20062119 XEPPZCSPPVHVRQ-UHFFFAOYSA-N 434.989 5.082 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20144778 IQUXPVBJWKVKCY-UHFFFAOYSA-N 447.112 5.250 0 40 IKAB COc1ccc(CNc2nc(C3C4CC5CC(C4)CC3C5)cs2)c(C(=O)O)c1OC 20247758 SODALDJGMHKCNX-UHFFFAOYSA-N 428.554 5.010 0 40 IKAB COc1ccc(-c2nnc(Sc3nc(C)nc4scc(-c5cccs5)c34)o2)cc1 20667141 OVZLNMWEBBCDQD-UHFFFAOYSA-N 438.559 5.938 0 40 IKAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1ccc2c(c1)OCO2 20882544 LBFKGZGDTMRTFY-CYBMUJFWSA-N 435.530 5.206 0 40 IKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 22076279 HLVRORNAYJFHRZ-UHFFFAOYSA-N 438.439 7.276 0 40 IKAB C[C@@H](CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 22580828 TZTINWHNVDZMRN-YYXXCONNSA-N 434.627 6.522 0 40 IKAB Cc1ccccc1-n1c(SCc2coc(-c3ccccc3)n2)nc2ccccc2c1=O 23541469 JLNDOXGDOUZGHU-UHFFFAOYSA-N 425.513 5.641 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Oc3ccccc3Cl)cc2)nnc1-c1ccco1 24778117 DVJKBQDAKRQZJT-UHFFFAOYSA-N 440.912 5.252 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CN2CCCCCC2)cc1 30947138 GJNMXNSCTLHCSW-UHFFFAOYSA-N 442.647 6.783 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32118642 IWDYCPFTZQTGDK-UHFFFAOYSA-N 440.135 5.141 0 40 IKAB COc1ccc(Cn2c(C)nc3cc(NC(=O)Nc4cccc(Cl)c4)c(C)nc32)cc1 35288557 PUBYXKFHLCPBOF-UHFFFAOYSA-N 435.915 5.402 0 40 IKAB CCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1 35671429 BKZGFWCYYUQEEY-UHFFFAOYSA-N 447.516 5.615 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C 44901255 CFMBJBGLOBTMLK-INIZCTEOSA-N 445.753 5.762 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(C)cc4C)c3)cc2)c1 49422005 OGMVLNCOZLWSSJ-UHFFFAOYSA-N 438.531 5.361 0 40 IKAB COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)c1 67294490 JRZXUVSRNZPCMS-VYIQYICTSA-N 432.863 5.358 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cc(Cl)ccc2OC)cc1 67297753 CVEYYKXMVSIONC-PNHLSOANSA-N 434.879 5.588 0 40 IKAB CCc1ccc(-c2noc(-c3oc4ccc(S(=O)(=O)N(CC)CC)cc4c3C)n2)cc1 71761912 NHUFTMMEWABVTG-UHFFFAOYSA-N 439.537 5.051 0 40 IKAB Cc1cccc(Nc2ccc([C@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)n1 72353395 DBLOTUGGEVHQKG-NRFANRHFSA-N 439.563 5.349 0 40 IKAB COCc1ccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)cc1 78875493 KTRWGGXKUDNBJM-UHFFFAOYSA-N 442.531 5.018 0 40 IKAB Cn1c(-c2ccccc2)nn(CN2C[C@@H](c3ccccc3Cl)OCC2(C)C)c1=S 84673672 FQNJDOWLGNGWIO-IBGZPJMESA-N 428.989 5.081 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)[C@@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 103117197 FOUUOIDVZJCPLU-CONSDPRKSA-N 444.530 6.235 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(N5CCCC5)=CC[C@]4(C)[C@H]3CC[C@@]21C 118923597 RGRNUVRIJBGXEL-JGTKDNRBSA-N 439.772 8.697 0 40 IKAB FC(F)(F)CCCCCCCCCCCCCCCCCCCCCCC(F)(F)F 169795234 OEGGSGODXUNKRC-UHFFFAOYSA-N 446.604 10.693 0 40 IKAB CCCOc1ccccc1CCCNC(=O)CCCN1C(=O)c2cccc3cccc1c23 219471969 QJJWXAFZRMEJOS-UHFFFAOYSA-N 430.548 5.118 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223340547 OKWLKNDTDPFPLD-DHIUTWEWSA-N 447.585 5.900 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COc1ccc(C)cc1 224123688 STKKWYRXQQYTNV-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cc(C)cc(C)c1C 224277608 WFQJRANEUIFQRA-UHFFFAOYSA-N 444.358 6.759 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COCc1ccccc1 224459991 LAWJHLVNWXXUPD-UHFFFAOYSA-N 426.310 5.427 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1OC 224582948 UUJUGFONKCEDTP-HXUWFJFHSA-N 433.548 5.424 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1C 224614538 AZJNBVNXBIWLCP-JWQCQUIFSA-N 440.572 5.372 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224661196 YAMQQRMLZIQYRN-QHCPKHFHSA-N 429.004 5.161 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225609683 ATPIANDWNOMYDB-VGSWGCGISA-N 449.422 5.648 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OCC 225753599 PAWHPNQOMPLAIN-UHFFFAOYSA-N 425.525 5.111 0 40 IKAB CC(C)c1ccc(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225806724 CUDIARGSVVGXEV-UHFFFAOYSA-N 434.674 7.022 0 40 IKAB CCOCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c(C)n1 225864104 LAMKRQKMDCXBDB-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB CC(C)n1cc(CCC(=O)N2CCCC3=C[C@H]4C[C@H](CN5CCCC[C@@H]45)[C@@H]32)c2ccccc21 257199328 ZSAFBTBLHQRTRB-OXMFQOBNSA-N 445.651 5.576 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1 257215314 CPONJHAWEJIAHI-HSZRJFAPSA-N 431.923 5.834 0 40 IKAB CC(C)CC(=O)N[C@@]1(C)C[C@@H](c2cccc(Br)c2O)O[C@H]2C[C@@H](C)CC[C@@H]21 257247998 JBPHMWQAECZBFJ-FKTFMUQYSA-N 438.406 5.342 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)C2CCCC2)CC1 257299533 RQKZKUDCQAJRSQ-UHFFFAOYSA-N 432.608 5.220 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 257334204 YFACHLRFFQWHSG-GOSISDBHSA-N 438.934 5.270 0 40 IKAB COc1cccc(C(=S)NC[C@@H]2CCCO2)c1OCc1ccc(Cl)c(Cl)c1 408571670 CGIRVNQBRXQAQT-AWEZNQCLSA-N 426.365 5.025 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)CC2=O)cc1 408639398 FZKVYPUCJQFHGU-LJQANCHMSA-N 430.504 5.178 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)c(C)c1 408698037 LIBIKNDOMFBCFA-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc2ccccc2c1 409017154 KTUSYJWAXNTJSL-OEAKJJBVSA-N 433.529 5.872 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O)Nc1ccc(Cl)cc1 409174540 NEISPHYUXBPNPJ-UNOMPAQXSA-N 438.892 5.275 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1 409183077 RABJMLDALZYKNZ-MHZLTWQESA-N 449.506 6.028 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3/SC(=O)N(CC(=O)OC(C)C)C3=O)cc2)cc1 409243555 SKMBPXKAGKUWDR-XDHOZWIPSA-N 427.547 5.134 0 40 IKAB CCC[C@@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409263162 ARFSMIKFOWIDAQ-HXUWFJFHSA-N 436.577 5.001 0 40 IKAB COc1ccc(CNCC[C@]2(c3ccc(F)cc3)C[C@@H](C(C)C)O[C@@H](C(C)C)C2)cc1 524733756 NIMPBDJZPIXJPN-LGKQTMLJSA-N 427.604 6.112 0 40 IKAB Clc1ccc(-c2cs/c(=N\c3ccccc3)n2CCN2CCOCC2)c(Cl)c1 704257 SMIZFYBONRWABS-FLFQWRMESA-N 434.392 5.088 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778415 NVSGCXWPNKUWRJ-UHFFFAOYSA-N 434.945 5.268 0 40 IKAB O=C1C[C@@H](c2ccc(F)c(Br)c2)c2cc(Br)c3ccccc3c2N1 861533 XIFPRMJTLFTFQQ-ZDUSSCGKSA-N 449.117 5.978 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(OC)cc1 874111 XEJOHCYLEZRPPC-UHFFFAOYSA-N 444.560 5.431 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Cl)cc2Cl)n2ncnc2N1 938897 YJMIFWVCTZEWEJ-LJQANCHMSA-N 428.323 5.129 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)c3ccccc3n2)c(OC)c1 998171 UEARVKMKZZNAJL-UHFFFAOYSA-N 427.504 5.237 0 40 IKAB O=C(Nc1nc(SCc2ccccc2Cl)ns1)c1cc(F)c(F)cc1Cl 1106059 HFOUYVVRLRJCQH-UHFFFAOYSA-N 432.304 5.668 0 40 IKAB Cc1cc2ccccc2n2c(SCC(=O)Nc3ccccc3Oc3ccccc3)nnc12 1223218 GOCQLTCSGACPKB-UHFFFAOYSA-N 440.528 5.714 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 1339128 LFWOHCWVXRJTLB-RUZDIDTESA-N 445.538 5.366 0 40 IKAB COc1cc([C@H](CC(=O)c2cccs2)Sc2ccc(Cl)cc2)cc(OC)c1OC 1463230 LBTOIEPRLXKRFL-NRFANRHFSA-N 448.993 6.534 0 40 IKAB CC(=O)Nc1sc(-c2nc(-c3cccs3)c(NC(C)=O)s2)nc1-c1cccs1 1797360 QFIMVMFZTGSMNE-UHFFFAOYSA-N 446.604 5.640 0 40 IKAB O=C1C(Nc2ccc(F)cc2)=C[C@H](c2ccc(Br)cc2)N1c1ccc(F)cc1 2061318 IXMWLMVYJNUPNO-OAQYLSRUSA-N 441.275 5.811 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)N[C@H](C)c3ccc(C)cc3)c3ccccc3n2)cc1 2105610 PWVDJUMZJGMLHU-OAQYLSRUSA-N 438.571 6.880 0 40 IKAB COc1ccc(CSc2ncnc3c2sc2nc(CC(C)C)c4c(c23)CCC4)cc1 2218073 QXPTZEUMIFYUDS-UHFFFAOYSA-N 435.618 6.228 0 40 IKAB Cc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(Cl)c1 2284170 DTANTXJFJZKTHA-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB Cc1nn(C2CCCCC2)c2c1[C@@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 2450129 JGMZPARQWRTBOE-RUZDIDTESA-N 447.604 6.050 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)c(C)c1 2628181 AGYCODZSXHFHDV-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 2781065 WGTGRDOBZNBTMP-UHFFFAOYSA-N 436.487 5.948 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 3011649 LICYRNCXPDLYAF-UYAOXDASSA-N 444.457 5.421 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(Cl)cn(Cc2cccc(Cl)c2)c1=O 3052065 QNPSCVXQZJJTNR-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB Clc1ccccc1N[C@H](c1ccc(Br)cc1)c1nnnn1C1CCCCC1 3176228 AXXNVXAPTGYZJQ-LJQANCHMSA-N 446.780 5.796 0 40 IKAB COc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OCc1cccc2ccccc12 3412656 HRDRTMGRNCNVQI-KQWNVCNZSA-N 426.516 5.583 0 40 IKAB CCc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655608 UEKWBKAEKZIFJQ-INIZCTEOSA-N 447.918 6.286 0 40 IKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1OC)C(=O)OC 3658726 CCPGULAPWHKWQR-HXUWFJFHSA-N 433.533 5.140 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CC[C@H](C)C3)cc1 4062400 CWJOTOIEPVJOEW-INIZCTEOSA-N 435.618 6.243 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cc1 4994638 OCUUJCYZEABEMN-VLCRHTCISA-N 438.634 5.507 0 40 IKAB CCN(CC)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(C)cc2)cs1 6511274 SFLDFEVYXRQDPY-UHFFFAOYSA-N 442.028 6.151 0 40 IKAB CC1=CC[C@H](c2cnc(-c3ccccc3)c(C)c2)N(C(=O)c2ccccc2)[C@H]1c1ccccc1 8695498 YMTDDDYWBVGJMJ-PQHLKRTFSA-N 444.578 7.332 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cc(Cl)c(OC)c(OC)c3)ccc2OC)cc1 8754015 FOXMSHYFJOTFES-UHFFFAOYSA-N 427.884 5.294 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8831891 XGUCGUGUTGVWTI-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1C 9064746 SQZLCLHFBOMPLN-DHZHZOJOSA-N 445.371 6.397 0 40 IKAB Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3F)nc2n1 9167061 NAPRDEPXPRQUEF-UHFFFAOYSA-N 448.502 5.164 0 40 IKAB Cc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1Cl 9394360 VHTICXATFFNXPM-UHFFFAOYSA-N 438.955 6.521 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 9426296 LRLPCOSCNDTDAO-DEOSSOPVSA-N 435.354 7.097 0 40 IKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)o1 9500542 NQTRTAFQSDUNDQ-OLZOCXBDSA-N 436.364 5.710 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1)c1cccs1 9595370 HEACRBKCHWJJBV-QGZVFWFLSA-N 447.585 5.630 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccc(F)cc5)no4)o3)cc2C1 9791911 QGOQEAXUXQFWOR-LLVKDONJSA-N 428.514 5.404 0 40 IKAB O=C(c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCc2ccccc21 10449469 RUJLZXDDIGWJSD-SANMLTNESA-N 428.557 5.054 0 40 IKAB Cc1ccc(OC(=O)c2ccc(OC(C)C)c(Br)c2)c(Br)c1 12404113 XQUQJHWTKSXZRH-UHFFFAOYSA-N 428.120 5.526 0 40 IKAB C[C@@H](NC(=O)COC(=O)Cc1coc2ccc3ccccc3c12)C12CC3CC(CC(C3)C1)C2 12530429 AZWIKTCMHMDUHM-LREROPASSA-N 445.559 5.393 0 40 IKAB O=C(Cc1ccsc1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 12561113 GYYYRGXMMSMUSC-UHFFFAOYSA-N 441.361 5.037 0 40 IKAB Cc1ccc(/C=C2\CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(C)(C)C)cc1 12654619 ODRPFMPSCGWPON-XDJHFCHBSA-N 428.532 5.102 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4C(=O)CCOc5ccccc54)cc3)sc2c1 12762726 CQIIKWUXHUYDJR-UHFFFAOYSA-N 443.528 5.026 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N[C@H](C)c1ccccc1 12844735 NAHSPFVPZUIBTN-CABCVRRESA-N 431.483 5.520 0 40 IKAB CCCN(Cc1ccc(OCC(C)C)c(OC)c1)C(=O)COc1ccc(Cl)cc1C 13096139 WBUJPRISGMGZEF-UHFFFAOYSA-N 433.976 5.509 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)C(c1ccccc1)c1ccccc1 13134051 INOMXQHFCJCVNP-UHFFFAOYSA-N 448.588 5.022 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 13141249 PLNBTAJEVAGKON-KRWDZBQOSA-N 438.572 5.559 0 40 IKAB O=C(COc1ccccc1F)Nc1nc(-c2ccc(NC(=O)c3ccccc3)cc2)cs1 13149567 KEOJDVCIEMVFST-UHFFFAOYSA-N 447.491 5.219 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)c1cccs1)c1ccc(F)cc1 13561440 WMMHMFGIGZWVFA-JOCHJYFZSA-N 440.515 5.473 0 40 IKAB Brc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13776770 DOKAEKGYMXCJKA-WMZHIEFXSA-N 449.304 5.420 0 40 IKAB C[C@H](NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 13896735 DDSHFZIWICAVGS-ZBBKGZSWSA-N 446.591 5.919 0 40 IKAB C[C@H](NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 14273208 PIRKVKAZPVUSRJ-LRTRQFSZSA-N 444.402 6.988 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1cccc(Br)c1 14406319 ZSYDHVHBAMQQNC-UHFFFAOYSA-N 441.375 6.553 0 40 IKAB O=C(c1ccco1)N1CCN(c2ccc3cccc(OCc4ccc(Cl)cc4)c3n2)CC1 15390721 GEWRNVMTVSFAQZ-UHFFFAOYSA-N 447.922 5.023 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCCc2nc3ccccc3s2)c(C(C)(C)C)c1 15554125 QUAAZFQPEKIGOX-UHFFFAOYSA-N 438.637 6.019 0 40 IKAB O=C(CSc1nc2ccccc2nc1-c1ccccc1)c1ccc(Cl)cc1Cl 16492082 CRBSXOGTWLGECB-UHFFFAOYSA-N 425.340 6.579 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1Cl 16692382 QTABFTWAGAYWAZ-UHFFFAOYSA-N 440.377 5.437 0 40 IKAB COc1ccc(C(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1OC 16755604 IMRYOTXKCONDAO-UHFFFAOYSA-N 436.558 5.659 0 40 IKAB CCOc1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 16841068 HXDWBHGQOYWONU-UHFFFAOYSA-N 433.327 5.234 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1C(F)(F)F 17094709 LBSROWIHGKRAET-JXMROGBWSA-N 426.221 6.924 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1 19084720 DQSIPDYFNAVKIK-UHFFFAOYSA-N 436.506 5.134 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3OC)n(Cc3ccccc3F)n2)c(OC)c1 19647181 XDUNVXKNLVNZCV-UHFFFAOYSA-N 448.494 5.439 0 40 IKAB CCOc1ccc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 20123478 HTRPNLQLXNLSTB-UHFFFAOYSA-N 441.527 6.100 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20488986 REHZDBXFISGKTI-QHCPKHFHSA-N 427.903 5.532 0 40 IKAB CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(C)cc3C)sc2c1 20895013 UHLHRQBGIISFHZ-UHFFFAOYSA-N 427.595 5.773 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1cc2ccccc2nc1Sc1ccc(Cl)cc1 21596654 RDDYHSIZAWGLEA-PXLXIMEGSA-N 442.927 6.384 0 40 IKAB Oc1c([C@H](c2ccc(Cl)cc2Cl)N2CCCC2)sc2nc(-c3ccco3)nn12 22852510 FEYGXXMGGNBTRG-HNNXBMFYSA-N 435.336 5.248 0 40 IKAB Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccccc3Cl)n3c2nc2ccccc23)cc1 23382108 XBBNWYRVSMNWCG-QFIPXVFZSA-N 444.922 5.115 0 40 IKAB Cc1ccc(CN(C(=O)c2oc3cc(Br)ccc3c2C)c2ccccn2)cc1 27662837 BEGGOADFSUTXMU-UHFFFAOYSA-N 435.321 6.054 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc(Cl)cc1F 32906624 XZLHYUUETJYFBU-UHFFFAOYSA-N 436.914 5.199 0 40 IKAB CCOc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4cccc(C)c4)nc32)cc1 32948219 XHPNABGOSDWGLW-UHFFFAOYSA-N 441.603 5.504 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(OCC)cc3)oc2C)nc2ccccc2c1=O 32984653 VINVZOLYOUGENI-UHFFFAOYSA-N 449.576 5.851 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38835516 IUYZCZLSPNZXDJ-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2ccc(C)cn2)c1=S 40016161 MEDXREZXXLSNCM-UHFFFAOYSA-N 429.977 5.267 0 40 IKAB CC(C)N1CCC(Oc2ccc3c(c2)cc(C(=O)N2CCC(F)(F)CC2)n3C(C)C)CC1 40428795 DXBRVISEKVIIAR-UHFFFAOYSA-N 447.570 5.345 0 40 IKAB in-vivo O=c1c2sccc2n2c(SCc3ccc(Cl)cc3)nnc2n1Cc1cccs1 45924486 PKEUCUSFHGFNFA-UHFFFAOYSA-N 444.994 5.161 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(Cc1ccccc1Cl)C3 55393838 GXJRMCPMHPYSAE-UHFFFAOYSA-N 431.919 5.698 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 58160627 WEORTFXUPOBZQG-SANMLTNESA-N 441.575 5.334 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)c3cnn(C(C)C)c3C(F)(F)F)s2)cc1Cl 60337149 RYXNCEGVCNMYSU-UHFFFAOYSA-N 442.894 5.744 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3cc(F)ccc3Cl)oc12 67295910 RUPWLNVMXWTQHW-CLCOLTQESA-N 429.860 5.175 0 40 IKAB CCN(CC)[C@@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 72284643 OHJZWSHFYHCFIX-HXUWFJFHSA-N 430.474 5.128 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)cs1 72350057 SYBZYNCMPMVDKX-QGZVFWFLSA-N 445.510 5.481 0 40 IKAB CCN(CC)C(=O)Nc1ccc([C@@H](C)Nc2ccccc2S(=O)(=O)C(F)(F)F)cc1 84770999 FRKZFGWDUUJMOO-CQSZACIVSA-N 443.491 5.027 0 40 IKAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)ccc1OCc1ccc(F)cc1 85412308 ADUKFQFOALXOOA-OAQYLSRUSA-N 441.528 5.370 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 95636199 NTWLPZMPTFQYQI-KMVZVNFZSA-N 442.728 7.141 0 40 IKAB biogenic,in-vitro COc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@H]2c2ccco2)cc1 95946771 NKAZRGDPDDQREJ-CLWYXNMASA-N 432.476 5.083 0 40 IKAB CCCCOc1ccc(NC(=O)N2CCC(c3nnc(-c4ccsc4)o3)CC2)cc1 96096604 IFKWHZNBAKZQKH-UHFFFAOYSA-N 426.542 5.389 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 101189575 BXTSYCNOPLRAPN-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1O[C@H](C)CC 214063785 OZFVMEUGZNGCOE-NWGMWSOJSA-N 445.968 6.153 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCSc1ccc(C)cc1 223407516 IBBVXBZOXXZFBF-JOCHJYFZSA-N 444.616 5.338 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 223756096 AZHIIVNTCHMYNQ-RPBOFIJWSA-N 446.620 5.801 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 223966441 APLVYLDTTDVLPT-UHFFFAOYSA-N 426.513 5.221 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1C 224376523 OTRROMODHYFOQE-UHFFFAOYSA-N 443.587 6.068 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccccc1OC 224578836 YZEWTNZDUAMKRK-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225192522 VMBSTVNOBBLGPK-QHCPKHFHSA-N 438.612 5.005 0 40 IKAB Cc1cc(NC(=S)N[C@@H](c2ccccc2)c2ccccc2C)ccc1Br 225504402 KQDGWYVVXXMCLX-NRFANRHFSA-N 425.395 6.142 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225634890 GFUAOZOLFCWNBW-XXBNENTESA-N 429.004 5.221 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ccc(Br)cc3F)CCCC2)cc1 225810634 SBDGKCKWKYXCNG-UHFFFAOYSA-N 425.342 5.526 0 40 IKAB Cc1cc(Oc2ccccc2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225978472 KVBKVSVGAJDBPV-UHFFFAOYSA-N 436.556 5.515 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 257230150 GBAVOQNWKYELSU-QHCPKHFHSA-N 436.555 5.084 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCCCC2)CC1 257282098 OSIFIDCZUYZOBE-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB CCOc1ccc(Br)cc1[C@@H]1[C@H](c2ccccn2)N=C2SC[C@H](CC)N21 260784344 VVKUIRPLTNWJSY-ZOCIIQOWSA-N 432.387 5.222 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 408562547 ANIULLFNYZVHBU-UHFFFAOYSA-N 446.897 5.080 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c(C)cc1I 408573832 OQTXNTQENXSVCE-PKNBQFBNSA-N 443.284 5.820 0 40 IKAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)cc1 408641598 KOXROWBPVLRAHY-IBGZPJMESA-N 430.504 5.096 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408693992 GPVABSJQQILDED-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1 408699849 WODGQJHINCRHHW-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 409095869 DRWBGTLYYWZIIT-UHFFFAOYSA-N 449.963 5.495 0 40 IKAB COc1ccc(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)cc1 409112215 FJRBRZZYPLGZLL-UHFFFAOYSA-N 442.309 5.347 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)cc1 409124009 JRZNWEUEZLJAJF-KGENOOAVSA-N 439.533 5.740 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2 585261779 JLWXCJSYRVZKFW-OAQYLSRUSA-N 446.522 5.412 0 40 IKAB COc1ccc(Oc2coc3cc(OC(=O)c4cccc5ccccc45)ccc3c2=O)cc1 645459 QREASOXZPIYJQT-UHFFFAOYSA-N 438.435 5.966 0 40 IKAB O=C(CSCC(=O)Nc1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F 779951 UZNMXAVRURUYPB-UHFFFAOYSA-N 436.377 5.035 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 825540 UUEXPICHUZOHTJ-UHFFFAOYSA-N 434.780 5.460 0 40 IKAB Cc1oc2cc(OCc3ccccc3Cl)ccc2c(=O)c1-c1ccc2c(c1)OCCCO2 842837 UWDXJHBRMHZTPO-UHFFFAOYSA-N 448.902 6.162 0 40 IKAB COc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 884400 SHHYBZWLROXACC-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O 894906 LCYCMPOPDAXNIJ-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 901340 NWDMJXFBJZJYNZ-UHFFFAOYSA-N 447.866 5.747 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2F)o1 1333625 SKLDMOFCSGZLFZ-HSZRJFAPSA-N 440.540 5.164 0 40 IKAB Cc1cc(C)cc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 1365873 MMDUUONLKIQLTC-IBGZPJMESA-N 438.515 5.450 0 40 IKAB aggregator COc1cc(C(=O)n2c(SCc3ccccc3)nc3ccccc32)cc(OC)c1OC 1462101 QPQPEKBLEUAGFN-UHFFFAOYSA-N 434.517 5.043 0 40 IKAB Cc1ccc(Nc2ccn(-c3nc(-c4ccccc4)sc3-c3ccccc3)c(=O)n2)cc1 1738766 IVCJRBYVNRWSEY-UHFFFAOYSA-N 436.540 6.075 0 40 IKAB CC(=O)N(CC[C@H](c1ccccc1)c1ccc(OC(C)C)cc1)Cc1ccc(Cl)cc1 1903536 HCCNFPHERPCTCW-HHHXNRCGSA-N 435.995 6.698 0 40 IKAB biogenic CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccccc2OCc2ccccc2F)C1(C)C 2138545 QDWIHOXVIOEMPL-IZZNHLLZSA-N 433.523 6.510 0 40 IKAB CCc1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1-c1ccccc1 2190795 LIKAEKFNSUMEAA-UHFFFAOYSA-N 435.552 6.840 0 40 IKAB Cc1cc(C)nc(S[C@H]2c3cccc4cccc(c34)[C@@H]2NS(=O)(=O)c2ccccc2)n1 2232500 FBSDGWKMSGQFEF-GOTSBHOMSA-N 447.585 5.113 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2260458 SNAIJYHPVSGEBJ-UHFFFAOYSA-N 445.954 5.963 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)c3c(-c4ccccc4Cl)noc3C)c2C(N)=O)C1 2744778 GQIRPFHYTNYTQF-GFCCVEGCSA-N 443.956 5.231 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)Cc3ccccc3)c3ccccc3n2)cc1 2769277 MTUDABPUBIINMC-NRFANRHFSA-N 438.571 6.442 0 40 IKAB CCCCc1nc2cc(NC(=O)NCc3ccccc3)c(C)nc2n1Cc1ccccc1 4848519 MCVDIPRYJSBKCD-UHFFFAOYSA-N 427.552 5.452 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2ccc3c(=O)c(Oc4ccc(C)cc4)coc3c2)c1 6162615 DPZKJMGTEPSJNJ-UHFFFAOYSA-N 432.428 5.130 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(CC)cc23)cc1 8383361 FOFQJNPNXIJKPO-UHFFFAOYSA-N 430.935 6.769 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 8825845 XAUMGDNUJFGXHX-ZUOKHONESA-N 433.335 5.371 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(OC)c(F)c4F)ccc3o2)cc1 8832102 PRBFUWAAAJWDCQ-UHFFFAOYSA-N 446.356 5.321 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(OCC(C)C)c3)sc2c1 8903262 QXKIEUPZKBXSFZ-UHFFFAOYSA-N 426.538 5.540 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc2Oc2ccccc21 8961146 UDTSHXRFKBFYGA-UHFFFAOYSA-N 436.533 5.383 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 9027175 DQEHDVCYRHCVJM-UHFFFAOYSA-N 428.989 5.472 0 40 IKAB CC[C@H]1CCCCN1C(=O)[C@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 9644068 VDNYJXBMOBDQHB-JSGCOSHPSA-N 428.048 5.588 0 40 IKAB Fc1ccccc1[C@@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1ccsc1 10336751 KTCBMXXVDGBOPP-UXHICEINSA-N 437.887 5.087 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@H](c2cccc(Cl)c2Cl)N1 12523823 INEITHCGQFWBMU-NRFANRHFSA-N 435.314 5.792 0 40 IKAB COc1cc(Br)c(CC(=O)Nc2ccccc2Oc2ccccc2)cc1OC 12766647 DSNRESIAFGGMRV-UHFFFAOYSA-N 442.309 5.440 0 40 IKAB Cc1ccc2c(COC(=O)c3cc(-c4cccs4)nc4ccccc34)cc(=O)oc2c1 13068456 MVGLLOGGEXUWLU-UHFFFAOYSA-N 427.481 5.735 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccncc1 13513102 OJJDCTRDEJGCGW-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB COc1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2ccco2)N3)cc1Cl 13623797 RNGGXKNIYBUWIT-BLLLJJGKSA-N 440.809 5.051 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CC3)cc1 13694973 WGINXOXUHJNWCD-UHFFFAOYSA-N 434.561 5.266 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4cc(C)cc(C)c4)cc3)nc2c1 13954890 AQUWUEBRRFIJSY-LJQANCHMSA-N 428.532 6.643 0 40 IKAB CC[C@@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1Cc1ccccc1)N(C)C 14244635 QKJQCUKXHSQNFC-NRFANRHFSA-N 433.581 5.286 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)cc2)CC1 14271341 KQDQECYTMWRJHE-YCRREMRBSA-N 448.419 5.756 0 40 IKAB COc1ccc(-c2nnc(-c3ccccc3-c3nnc(-c4ccc(OC)cc4)o3)o2)cc1 16217525 AHAUQNCLQVEJHB-UHFFFAOYSA-N 426.432 5.138 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)cc1 16610397 YDKDECUKQQHJFN-LBPRGKRZSA-N 433.986 5.562 0 40 IKAB O=C(Nc1ccc(NC(=O)c2cccc3c(Cl)cccc23)cc1)c1cccc(Cl)c1 17099403 UOJHJNZPCBEZGA-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1C 19646378 PAQXXNICPFDGMB-UHFFFAOYSA-N 447.585 5.721 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cn5ccc(C)cc5n4)CC3)c2)cc1 19691122 DSQJTRNFUDICDP-UHFFFAOYSA-N 440.547 5.042 0 40 IKAB Nc1c(-c2ccc(Cl)cc2)cnc2c(-c3ccccc3)c(COc3ccccc3)nn12 20069305 RBWBJGIWSMXGHC-UHFFFAOYSA-N 426.907 5.878 0 40 IKAB CCOc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20176838 RVTDKPANYPKXCE-OAQYLSRUSA-N 448.910 5.700 0 40 IKAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nn(-c3ccccc3)c(=S)s2)c1C 20993969 ZUJBPUGVMRPIIQ-ZDUSSCGKSA-N 447.607 5.148 0 40 IKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 21596115 MXIOHPZVWXLMDO-UHFFFAOYSA-N 434.908 5.968 0 40 IKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3c(-c4ccccc4)nc4c(C)cccn34)c12 22136395 LTPYUMQLFHKMJN-UHFFFAOYSA-N 449.470 5.667 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22511628 IMXRRWYJOMVXLA-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc2C1)c1cccc(Br)c1 22907777 NNWODLIVVPGVLC-FQEVSTJZSA-N 441.394 5.040 0 40 IKAB COc1ccc(-c2nonc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1C 27664351 BBYKKYRPECTESS-UHFFFAOYSA-N 442.269 5.123 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccccc1Cl 32692486 IBRLIUXDZLVMAL-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCC(C)C)c(C)o2)cc1 32984677 FAOKLEGQRDUUDZ-UHFFFAOYSA-N 449.576 5.707 0 40 IKAB O=C1S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1Cl 34106950 SJGGTMODZSDQSN-RZNTYIFUSA-N 432.687 5.728 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)cc1C 35645153 FKGFLQGVQTVBIJ-OEAKJJBVSA-N 448.975 6.618 0 40 IKAB Cc1cc(C(F)F)nc2sc3c(O)nc(-c4cc(Br)cs4)nc3c12 36611357 CCDLRWQLBVSKBJ-UHFFFAOYSA-N 428.283 5.682 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38835027 QIARZTJCXVOEGL-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2c4ccccc4C3(CC)c3ccccc32)cc1 59433366 OQPPFTCYHJDUAM-NSIFAMOJSA-N 437.539 5.436 0 40 IKAB CSc1nc2ccc3nc(Nc4nc5c(C)cc(Cl)cc5s4)sc3c2s1 62007439 WKOUJZWXJMCMNS-UHFFFAOYSA-N 435.024 6.943 0 40 IKAB CCN1c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccccc2S1(=O)=O 65315063 OZJSUTIULZXUOG-UHFFFAOYSA-N 426.925 5.096 0 40 IKAB C[C@@H]1CCc2c(sc3nc(Nc4nccc(-c5ccccc5)n4)nc(-c4ccccc4)c23)C1 95115786 HYAGBOCQIWTDCI-QGZVFWFLSA-N 449.583 6.684 0 40 IKAB CC(C)c1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 100156319 SJHAHRGFIFPQNT-HDICACEKSA-N 439.581 5.391 0 40 IKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)cc1 100743637 CMHMPSUASFNVNT-UZKOGDIHSA-N 432.568 5.251 0 40 IKAB Cc1ccc(NC2=C[C@@H](c3cccc(Br)c3)N(c3ccc(C)c(C)c3)C2)cc1C 103679145 SSTVIUQNOWUSES-SANMLTNESA-N 447.420 7.240 0 40 IKAB Cc1cc2nc3s/c(=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(=O)n3c2cc1C 104397172 DGEWTFSFRBMLPI-FYJGNVAPSA-N 434.605 5.374 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)c2ccccc2n1C 106722106 UOVSOAPHEJLNHA-ODLFYWEKSA-N 441.350 5.486 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)Nc4ccccc4)cc3)C2=O)cc1 113562355 MLMOOEYZXAOIBZ-OAQYLSRUSA-N 431.517 5.063 0 40 IKAB CCCCc1cc(I)c(I)cc1CCCC 139770938 CRYFHROMGKXYBY-UHFFFAOYSA-N 442.122 5.581 0 40 IKAB COc1ccc(S[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 216297777 MGXSQUJYWZKXIO-CYBMUJFWSA-N 430.422 5.532 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1C 223011159 RHMOZKBACUFQRQ-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223104399 LKPINUKXIZVVGX-SNVBAGLBSA-N 431.717 5.095 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 223211857 PEAUKZYDKKIILK-DEOSSOPVSA-N 446.591 5.249 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223313629 YLIRTFBHQHRINZ-OAQYLSRUSA-N 432.967 5.052 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1)c1ccc(C)cc1 224124576 HTIAWHMNBZEDNX-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Sc3ccccc3)o2)c1 224246664 SPGBZTIAACPXNP-ZEQRLZLVSA-N 443.597 6.311 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2OC)c1 224253480 ONGPHCPQRXCLRZ-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1C 224260054 GIILFJAXNVQRPR-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1Cl 224766029 YVRQPBLMPZDZFT-VWLOTQADSA-N 448.994 5.047 0 40 IKAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C 224866642 VHNKOSYJXRABHR-SFTDATJTSA-N 426.973 5.056 0 40 IKAB CC(C)CCn1c(SCc2nc(-c3ccc(Cl)cc3)no2)nc2ccccc2c1=O 225538319 LLCZULLTMDBUFZ-UHFFFAOYSA-N 440.956 5.438 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225615901 PDAAIXUZXUDMMH-UHFFFAOYSA-N 432.649 5.747 0 40 IKAB CCCCc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2ccc(OC)cc2)cc1 225652181 FXEDIFWDYMEMSI-QJOMJCCJSA-N 434.561 5.509 0 40 IKAB O=C1[C@H]2[C@H](C[C@H](c3ccccc3Cl)N2Cc2ccccc2Cl)CN1c1ccccc1 257203920 ASFAVQMNQHDUJP-DQMJNTIXSA-N 437.370 5.972 0 40 IKAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCN(C(=O)CC3CCCCC3)CC2)n1 257217184 CXWKZCVBUTZCLF-UHFFFAOYSA-N 441.645 5.614 0 40 IKAB CCc1c(CN2CC[C@@H](c3c(C(=O)N(C)C)sc4ccccc34)C2)c2ccccc2n1C 257230589 GCZMLCKEAAABQG-GOSISDBHSA-N 445.632 5.647 0 40 IKAB Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)Nc4ccnn4C(C)C)C3)c2)cc1 257312028 UMDLYVUQQOMRCL-OAQYLSRUSA-N 446.599 5.038 0 40 IKAB S=C(c1ccccc1OCc1ccccc1Cl)N1CCC(Cc2ccccc2)CC1 408578602 ZDUSIKYDSFULLI-UHFFFAOYSA-N 436.020 6.549 0 40 IKAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1NC(=O)c1ccc(Cl)cc1 408602351 DCJGTXDHQVOOKO-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 408615291 OKKHYNYCIAKNMM-UHFFFAOYSA-N 430.548 5.565 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408659252 KIZAQFMZDRPXIZ-GOSISDBHSA-N 440.326 5.543 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 408908186 UTYIJAJALBMEQR-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 409111907 DCCJGTUPIXQTAZ-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409131945 PVGLPWYTUVZZKQ-HZHRSRAPSA-N 449.528 5.110 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 409132778 KWJBPJXCHSOMOQ-BKUYFWCQSA-N 440.952 5.818 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409354053 XJDLLVWCPXUDOF-HMAPJEAMSA-N 446.528 5.302 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(F)cc3)n2)cc1 409384460 CHTUKPRQRGZHKR-UHFFFAOYSA-N 437.418 5.041 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccccc2F)N1c1cccc(C(F)(F)F)c1 651584 AIZYGQDMMSJHBF-JOCHJYFZSA-N 437.396 5.984 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4C)c(N)c3cc2C1 661751 WJAQEONOXCDKDE-GFCCVEGCSA-N 444.398 5.717 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccco4)nc4ccccc34)c2C(N)=O)C1 670845 FFLVLJASOKJUSP-AWEZNQCLSA-N 445.544 5.422 0 40 IKAB Cc1nc(SCC(=O)Nc2c(Cl)cccc2Cl)c2c3c(sc2n1)CCCC3 710243 WLYNKQIKNUHDIJ-UHFFFAOYSA-N 438.405 5.916 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c12 884509 HPPKBUSIYRGJJQ-UHFFFAOYSA-N 437.565 5.436 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C[C@H]2CCCO2)c(C)c1 885048 BXQRHJDNWPHNJO-JOCHJYFZSA-N 449.620 5.140 0 40 IKAB Cc1ccc(NC(=O)c2cccs2)cc1NC(=O)COc1ccc(Br)cc1 892433 CDQCHTUJEGJDTH-UHFFFAOYSA-N 445.338 5.089 0 40 IKAB Cc1ccc(NC(Nc2ccc(C)cc2C)=C(C(Cl)=C(Cl)Cl)[N+](=O)[O-])c(C)c1 1856740 ZTKWVTVKZFAMRF-UHFFFAOYSA-N 440.758 6.776 0 40 IKAB COc1ccc([C@H](Nc2ccccc2)[P@](=O)(OC(C)C)c2ccc(N(C)C)cc2)cc1 2391247 XJCNDWJGARFDTN-OOWIMERYSA-N 438.508 5.901 0 40 IKAB COc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(-c5ccccc5)cc4)nc3C2)cc1 2424303 LMKPQXNRLFUWMK-QFIPXVFZSA-N 449.510 5.317 0 40 IKAB CSc1nc(NCc2ccccc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2434596 TVZGKTNSKHJYKM-UHFFFAOYSA-N 434.634 6.261 0 40 IKAB O=C(N[C@@H](Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1)c1ccc(Cl)cc1 2682445 BAXBAZPJYLOHFG-HXUWFJFHSA-N 432.829 5.410 0 40 IKAB O=C(C[C@@H](Nc1ccc(F)cc1)c1ccc(Br)cc1)c1ccc(Cl)cc1 3092195 NRJRKZAGUWOMAI-HXUWFJFHSA-N 432.720 6.668 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c1 3286809 MOGUGLMMQYDJCJ-UHFFFAOYSA-N 428.560 5.870 0 40 IKAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1cccc(Cl)c1 3373557 MARYVZGUZODKMT-CYBMUJFWSA-N 425.966 6.131 0 40 IKAB COc1ccc(C)cc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 3431054 DXADSEQPXMZHCE-UHFFFAOYSA-N 429.472 5.103 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3cccc(C)c3)n2)cc1 4704927 UFFMCJPMBQWXRE-UHFFFAOYSA-N 425.536 5.116 0 40 IKAB C[C@H]1C[C@H](C[C@@H]2CC[C@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 6469181 MBAJXSUVUDTNQG-ZPLOVTKXSA-N 426.557 5.032 0 40 IKAB c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccs5)nc4c32)cc1 8766733 GKCBHARQLWOOME-NRFANRHFSA-N 432.508 6.292 0 40 IKAB CCc1ccc2c(c1)[C@]1(Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN31)C(=O)N2 8798571 JYIWNOWFQQNUMD-DHLKQENFSA-N 429.907 5.251 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3cccc(C)c3C)cs2)cc(OC)c1 8853748 GKKPUSVQSGPXBT-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc2oc(-c3ccc(C(C)C)cc3)nc2c1 8902981 UXLXECJILKZKPB-UHFFFAOYSA-N 436.511 7.032 0 40 IKAB C[C@@H]1CSC(N(C(=O)CCCc2nc3ccccc3s2)c2ccc(Cl)cc2)=N1 9222666 MDABIEPXUPZYKX-CQSZACIVSA-N 429.998 5.797 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cc(C)ccc3C)n2)cc1OC 9291741 DNMOENRKXLSVAG-UHFFFAOYSA-N 429.476 5.290 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(-c3ccccc3)cc2)cc1 9345021 HATFFYOLRIZRIB-UHFFFAOYSA-N 446.506 6.913 0 40 IKAB CCc1ccc(-c2n[nH]c(SCC(=O)N[C@H](c3ccccc3)c3cccs3)n2)cc1 9727706 DTTFGHRQEIXCFG-OAQYLSRUSA-N 434.590 5.094 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@H](c1ccccc1)c1ccc(Cl)cc1 9815347 YTHSSKXSVCZWDJ-OAQYLSRUSA-N 438.984 5.142 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 9975319 SVGRPNCJULMHKL-LJQANCHMSA-N 438.527 6.091 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 10034935 NPCJBVDENGLTAC-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 10035161 FTQDDVUDKUHHRK-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB Cc1cc(OCC(=O)c2ccc3ccccc3c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 11866610 GRKLYGPDXQKKNX-UHFFFAOYSA-N 448.518 6.416 0 40 IKAB CCOc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12196519 QNRORTJHDPKVDY-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(Cl)c2)cc1 12196583 MYBLUZCEHSODIU-RCZVLFRGSA-N 434.923 5.990 0 40 IKAB COc1ccc(Nc2nc3ccccc3nc2Nc2ccc(OC)c(Cl)c2)cc1Cl 12371117 LYACWUHBYBFCNJ-UHFFFAOYSA-N 441.318 6.441 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)CC1 12564421 SFTRZOSLCJYXGT-UHFFFAOYSA-N 444.362 5.238 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3N2)cc1 12846937 GPZSMSYTTQJDIX-HKUYNNGSSA-N 448.876 6.066 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)C(=O)c1ccc2c(c1)CCC2 13117999 QCPZQMSSLJTXMT-GFCCVEGCSA-N 428.355 5.086 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccco4)=NN32)cc1 13752071 CGHBFWDEHJRTAV-WIYYLYMNSA-N 443.286 5.615 0 40 IKAB COc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)cc1 13776836 LKOULUVEGIFPMG-YKSBVNFPSA-N 434.879 5.320 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN23)cc1 13777685 JAOYOUSNBVRZMF-GGAORHGYSA-N 425.315 6.244 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1nnc(COc2ccc(Cl)cc2)s1 14008922 QYQCQDUHYACMBX-UHFFFAOYSA-N 449.963 5.931 0 40 IKAB O=C(Nc1cccc(-c2ccc3nnc(-c4cccs4)n3n2)c1)c1ccc2ccccc2n1 14055502 YCKFWILHVUBHQC-UHFFFAOYSA-N 448.511 5.320 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(OC)c(OC)c1 14083427 XAXVSWJAMHMNKW-UHFFFAOYSA-N 434.359 5.037 0 40 IKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)CCC(=O)c1cccs1 14228251 BYRFHFKOPXVYGG-UHFFFAOYSA-N 432.339 5.392 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3nc4ccc(F)cc4s3)o2)cc1Cl 14270775 NMDMAMYRFGXZNX-UHFFFAOYSA-N 445.928 5.784 0 40 IKAB C[C@H](CCc1ccccc1)n1c(-c2cc3ccccc3o2)cs/c1=N\c1ccccc1F 15914039 XPTOUEKKUWGQRO-OUKGALJUSA-N 442.559 7.528 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 15946385 JACKSZJIJSXWCP-FQEVSTJZSA-N 427.957 5.857 0 40 IKAB Cn1c(SCCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 16788678 XVHYITRVAPCMMM-UHFFFAOYSA-N 444.585 5.794 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccsc4c(=O)n3Cc3ccccc3)n2)cc1 16843228 HEEYNQBTOPHWPN-UHFFFAOYSA-N 446.557 5.157 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC(C)C)cc4)cc3)nc2c1 17095956 FXEJILLSOOTZTE-GOSISDBHSA-N 428.532 7.048 0 40 IKAB COc1ccccc1C(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17096337 MVGZLRCXOCXWTA-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1OCC 17315523 MDAINUAJLITNRP-UHFFFAOYSA-N 444.531 5.329 0 40 IKAB O[C@@H](CN1CCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 17666637 WEOJIUMBVVUGJJ-HOFKKMOUSA-N 435.656 5.229 0 40 IKAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccnc2)CCN(C(=O)CC2CCCCC2)C1 19449219 CABLXWZZOGLMGR-MUUNZHRXSA-N 447.623 5.005 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(C)cc(Br)cc3C)o2)cc1Cl 19642106 YZWWHDQUOVUFRI-VQHVLOKHSA-N 444.756 6.940 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(OCCSc2ccccc2)cc1 20459192 IJCQZXPDWKCQBT-UHFFFAOYSA-N 446.341 6.012 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)ccc2Cl)cc1 20493391 MKYXSOITIRFYBI-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB O=C(Nn1c(=S)[nH]c2sc(Cc3ccccc3)cc2c1=O)c1csc2ccccc12 20522949 ROSJZUNRKPVEJF-UHFFFAOYSA-N 449.582 5.310 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2ccccc2)cc1 20765647 BBAPMAVUUHTTQM-UHFFFAOYSA-N 434.561 5.204 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 20874899 BKCZXOHLVZPRMT-HSZRJFAPSA-N 425.956 5.449 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072903 UFRHHNZZSZFUCK-UHFFFAOYSA-N 442.224 6.283 0 40 IKAB Cc1sc(NC(=O)CCc2nnc(-c3ccccc3)o2)nc1-c1ccc(F)c(F)c1 22744976 NZIIANLHHFWXEC-UHFFFAOYSA-N 426.448 5.018 0 40 IKAB Cc1cc(OCCOc2cccc(/C=C3/N=C(c4ccccc4)OC3=O)c2)ccc1Cl 23485193 MRNWPBANGZZLPL-XQNSMLJCSA-N 433.891 5.451 0 40 IKAB C[C@@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc2ccccc2n1C(F)F 25673299 BKGNMUFHHOGXQB-SNVBAGLBSA-N 433.256 5.166 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4cccc(C(F)(F)F)c4)nc3c2)cc1 27533439 USLDHCJTFCEXSW-UHFFFAOYSA-N 440.425 5.480 0 40 IKAB CCN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C1=CCCC1 32722808 GGBIKKDQZAVDBI-UHFFFAOYSA-N 430.643 5.444 0 40 IKAB Cc1ccc2nc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)cc(=O)n2c1 33068157 GDIMAAHIUMEJER-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB CCOC(=O)c1cnc2c(-c3ccccc3)c(-c3ccccc3)nn2c1-c1ccc(C)cc1 35153081 ITWCWNBAGKUBNL-UHFFFAOYSA-N 433.511 6.215 0 40 IKAB O=C(COC(=O)c1ccc(SCc2cscn2)cc1)c1cccc(C(F)(F)F)c1 36694449 QRWVCKBMPZJMAG-UHFFFAOYSA-N 437.464 5.494 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 38755415 VTHSQHJLZMMSEG-DEOSSOPVSA-N 448.994 5.431 0 40 IKAB CC(=O)Nc1ncc(-c2ccc(OC(=O)c3csc(-c4ccsc4)n3)cc2)s1 40089743 GRKGFEKOBAQKRT-UHFFFAOYSA-N 427.532 5.173 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 44904937 ZUWUCPSIQWWFMM-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccccc1 44937740 LCUJQHZZILIEHY-PMERELPUSA-N 446.594 6.073 0 40 IKAB COc1cc(Br)c2oc(-c3cccc4c(Br)cccc34)nc2c1 45920302 ZXXJGBBJVNHKCR-UHFFFAOYSA-N 433.099 6.182 0 40 IKAB CC(C)n1ncc2c(C(=O)N(C)[C@@H](c3ccccc3)c3ccccn3)cc(C3CC3)nc21 48264240 PHCYOUXCFFELIL-DEOSSOPVSA-N 425.536 5.146 0 40 IKAB CSc1cccc(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c1 49006994 VRRIBDMOBPWHJE-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(CCCc1ccccc1)C3 57327440 LIXWTXQEDBJMCI-UHFFFAOYSA-N 425.528 5.477 0 40 IKAB CN1CCN(C(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)CC1 58120303 WXSBCKXAXZXDCO-UHFFFAOYSA-N 441.670 5.100 0 40 IKAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCc1ccc(OCC(F)(F)F)c(OC)c1 71851106 YPGJRPXMYQFLDQ-RTWAWAEBSA-N 449.513 5.754 0 40 IKAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(N(C(=O)OC(C)(C)C)C2CCC2)nc1 72215482 XCLCQAVYLAPCMA-UHFFFAOYSA-N 447.576 5.253 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(Cc5ccc(F)cc5)cc(C)n4)C3)nc2c1 72354196 NGABSSPAZDSBLK-QFIPXVFZSA-N 442.538 5.096 0 40 IKAB CC(=O)O[C@@H]1C[C@H]2CCCC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@H](C)CCCC(C)C)[C@@H]21 78567969 MRVPOLGRRKLUQS-JFVAMVLKSA-N 430.717 8.039 0 40 IKAB CC(C)Oc1ccc([C@@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221236 FWSBBNGRABZQOL-NRFANRHFSA-N 442.467 5.394 0 40 IKAB biogenic C[C@H](NC(=O)CSc1ccc2c3c(cccc13)C(=O)c1ccccc1-2)[C@H]1C[C@H]2CC[C@H]1C2 102271467 ZPNRQRGEAVQHPL-LZDTVADOSA-N 441.596 6.084 0 40 IKAB CC(=O)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913427 XRPYRCCVSZYAQT-WTHLBDDQSA-N 428.657 6.893 0 40 IKAB O=C(N1CCc2ccccc2[C@@H]1c1ccccc1)N1CCc2ccccc2[C@@H]1c1ccccc1 206582784 CAQGZNDDACGLPT-KYJUHHDHSA-N 444.578 6.402 0 40 IKAB in-vitro CC(C)Oc1cccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)c1 218876160 GVBORXVTMZQFGA-UHFFFAOYSA-N 448.401 5.488 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCCc2ccc(Cl)cc2)c(Br)c1 218882906 LRFAIPNLOJYQNF-UHFFFAOYSA-N 438.793 5.528 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223024131 RHJQPMPNEARLPS-DFFJHKNISA-N 438.011 6.912 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 223271386 BROVKJSRGXGODX-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 223654435 LUVCCZQBOCLSES-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCCC3)c(Cl)c2)cc1 224242938 WVTQOUWZBAICMV-UHFFFAOYSA-N 449.016 5.316 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)c1 224289923 AUFQBFIHBYWUKP-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(Cl)cc1 224499422 URNJPXOTTCEEGY-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)CCc3ccccc3)o2)cc1 224914267 BPQHJGJWLLDJBH-LJQANCHMSA-N 426.516 5.768 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)c(C)[nH]1 224920047 CWSKAVFULBSMDC-VQTJNVASSA-N 441.398 5.275 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc(N2CCCCC2)cc1 224957595 UJGDUYOPZPWKEZ-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225342139 FGBCWIOFTALVAZ-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257222796 DUSIWVQTDZMPOL-AREMUKBSSA-N 437.543 5.619 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccccn2)CC1 257233048 GNNACZLGNBSWMU-UHFFFAOYSA-N 445.582 5.239 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)Cc3cccs3)CC2)on1 257239790 HQUFOUHXOLIBER-ATZDWAIDSA-N 438.597 5.079 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccc(F)cc4)o3)cc2c1 257249613 JJBPZPYQSAKKSR-QHCPKHFHSA-N 433.483 5.262 0 40 IKAB O=C(O)c1sc([C@H]2CCCN2Cc2ccc(Cl)cc2)nc1Cc1ccc(Cl)cc1 257251146 JPORZRRKSNUFRC-LJQANCHMSA-N 447.387 6.076 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccccc1Cl 408574234 LCVKAVJVGRLRSX-UHFFFAOYSA-N 440.008 6.345 0 40 IKAB CCc1ccc(CNC(=S)c2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1 408577857 UXSDLEVHADQVET-UHFFFAOYSA-N 425.981 5.955 0 40 IKAB CC12c3ccccc3C(C)(c3ccccc31)[C@@H]1C(=O)N(c3cccc(Cl)c3Cl)C(=O)[C@@H]12 408620967 KVKLZYYGFIEUPI-JGSRLKPESA-N 448.349 5.738 0 40 IKAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)o2)cc1 408714449 RAAXFULCDKICTD-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3cccc(Br)c3)c2)CC1 408721528 JDGPGCXAZVLQKU-UHFFFAOYSA-N 433.371 5.097 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Br)cc1 408823407 DFHOGDIZPAFVFF-UHFFFAOYSA-N 435.774 6.431 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 409085574 DOOIITBOQMOTPB-UHFFFAOYSA-N 432.952 5.048 0 40 IKAB CCc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409114084 INTLYDLMMXIQOQ-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccc(F)cc4)o3)C2=O)c1 409175488 RWEGVPXGTKJWOR-NDENLUEZSA-N 436.464 5.069 0 40 IKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409181036 ZBWRVQNHFYGWAI-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCCOc1ccc(C(C)(C)C)cc1 409257580 UATIAENHQNOSPY-UHFFFAOYSA-N 447.600 7.117 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC(Cc4cccc5cccnc45)CC3)CCOCC2)c1 1848355907 SPDODOVIBYDMQD-UHFFFAOYSA-N 428.576 5.073 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(Cl)c2)c(NC(=O)Nc2cccc(Cl)c2)c1 694685 MUXGQKZNHPDMFX-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 714855 ANILZHIAVXONTN-CZUORRHYSA-N 440.809 5.051 0 40 IKAB Cc1cc(-c2ccccc2)nc2cc(C(=O)N(Cc3ccccc3)Cc3ccccc3)nn12 829519 VUXAVTYNBSRLAE-UHFFFAOYSA-N 432.527 5.547 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 887826 VGAAUBXKLLDQCX-IBGZPJMESA-N 444.560 5.274 0 40 IKAB CCc1cc([C@H](c2ccccc2Cl)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1236009 JUVOPAQSSMRCSV-QFIPXVFZSA-N 440.996 5.638 0 40 IKAB CCc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 1247205 RGMLEOQALMPMTC-UHFFFAOYSA-N 433.602 6.301 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3cc4ccccc4o3)cc12 1321332 KTGKVRIGEOSZQS-UHFFFAOYSA-N 426.424 6.242 0 40 IKAB biogenic Cc1nc2c(cc1NC(=O)c1ccc(Cl)cc1)nc(C)n2Cc1ccc(Cl)cc1 1338717 CUTLDSCEWQEHJL-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB O=S(=O)(c1ccc2oc3ccccc3c2c1)N1CCn2cccc2[C@H]1c1ccccc1 1428261 WDYJBPNECTWQBO-RUZDIDTESA-N 428.513 5.181 0 40 IKAB CCOC(=O)C(C(=O)OCC)C(c1cccc2ccccc12)c1cccc2ccccc12 1599997 KFWYQQUZFMMZDN-UHFFFAOYSA-N 426.512 5.867 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cccc2c(Br)cccc12 2081559 RETVKYLDLTYJNR-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB CC(C)Sc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2218192 XMRSUEPCUBFIGZ-UHFFFAOYSA-N 430.617 6.021 0 40 IKAB Fc1cccc(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 2358473 SZFPBVITFZGGCF-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2cccc(C)c2)cc1 2444533 CIESPCCMZKLHLH-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CSc1nnc(CN2c3ccccc3Sc3ccccc32)n1-c1ccc(Cl)cc1 2578055 ZVUXXIQNKYFQOV-UHFFFAOYSA-N 436.993 6.446 0 40 IKAB O=C(CSc1nnc2c(Cl)cc(Cl)cn12)NC(c1ccccc1)c1ccccc1 2617209 QCXKYJAPQKPROM-UHFFFAOYSA-N 443.359 5.034 0 40 IKAB O[C@H](COC(c1ccc(Cl)cc1)c1ccc(Cl)cc1)CN1CCc2ccccc2C1 3205704 XIRMZNKBAGVWMK-DEOSSOPVSA-N 442.386 5.519 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1 3270562 ILXQBTCXPNHRPK-UHFFFAOYSA-N 449.576 5.097 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)cc(C(C)(C)C)c1 3275933 RUSUAUNJOLOKNE-UHFFFAOYSA-N 436.379 6.384 0 40 IKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1ccc(OC(F)(F)F)cc1 3380652 MNYSFJAUECBRTK-UHFFFAOYSA-N 446.494 7.009 0 40 IKAB O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)C1(C(=O)NC2CCCCC2)CCCCC1 3626065 SWIWGSMQLYRPQD-UHFFFAOYSA-N 448.563 5.214 0 40 IKAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@H]1CC(c3ccccc3Cl)=NN12 5477818 JEJYEGWHAPNYEN-OAQYLSRUSA-N 425.960 5.094 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1 8273433 KJZPNIKNPDPBNY-UHFFFAOYSA-N 431.580 5.693 0 40 IKAB Cc1cn2c(=O)cc(COc3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2s1 8603799 AZPZNRQOVUVUHY-UHFFFAOYSA-N 447.560 5.193 0 40 IKAB aggregator CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 8734899 RTLFYLIWGKQDDE-AREMUKBSSA-N 436.515 5.251 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1C 8754696 JRIBZXXQPHOPKZ-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB COc1cc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc(Cl)c1O 8846835 CLVBXYOTCBCESM-SANMLTNESA-N 443.930 6.487 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 8902819 ZTUZEABBRRRFFJ-UHFFFAOYSA-N 449.532 5.591 0 40 IKAB Cc1cc(C)c(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@@H]2CCCO2)c(C)c1 8915492 HLZBGVVDXILFPU-FQEVSTJZSA-N 436.379 5.505 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(-c2ccccc2F)o1 8973823 XTKQDQJWDZJGSO-UHFFFAOYSA-N 428.488 5.784 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@H]2[C@@H]3C[C@@H](F)[C@@]4(Br)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 9033184 AYBBUNORLTWYBV-OLFMMNQESA-N 443.441 5.697 0 40 IKAB biogenic O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCCC1=CCCCC1 9129084 ZWBLLROUORGMKA-UHFFFAOYSA-N 445.032 5.812 0 40 IKAB Cc1cc(C(=O)CSc2ccccc2F)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 9282859 FDARVTYKUGKVHY-UHFFFAOYSA-N 449.551 5.006 0 40 IKAB CCOc1ccccc1OCCCCn1c(-c2ccc(OC)cc2)nc2ccccc2c1=O 9291814 MYPAVQZAAFDTRC-UHFFFAOYSA-N 444.531 5.330 0 40 IKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(C)c(Cl)c3)c2c1 9499237 UPKZVUMQJHVSND-UHFFFAOYSA-N 449.381 7.695 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@H](C)CC(C)(C)C4)ncnc32)cc1 9531295 MUCKECRIZRAIKH-FPOVZHCZSA-N 440.591 6.723 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1ncnc2sc(C)c(C)c12)c1ccccc1 9561822 ZAERETBQMRQUGJ-OAQYLSRUSA-N 449.601 6.097 0 40 IKAB Cc1nnc(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1C1CC1 9711841 KRLHNAVKZGVXAY-SFHVURJKSA-N 432.471 5.412 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@H]2C[C@H](C)OC2=O)c(C)c1 9870991 QASVENCJUYSPON-MBSDFSHPSA-N 443.572 5.424 0 40 IKAB CCc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 10120155 CZTZIXQNHUPXTN-UHFFFAOYSA-N 432.476 5.335 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 10251132 KWYXRRPRPURRHQ-GFCCVEGCSA-N 432.332 5.776 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(Cl)cc3s2)o1 11614334 SECYWCJGQCAMEA-LJQANCHMSA-N 448.887 5.707 0 40 IKAB CSCC[C@H](NC(=O)CSc1cc(Cl)ccc1Cl)c1nc2ccccc2[nH]1 12529318 QCRKGHMKMJFGFZ-INIZCTEOSA-N 440.421 5.572 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)C2(c3ccc(F)cc3)CCCC2)c2ccccc2)c1 12621958 ULZKVGNLNJEOJW-XMMPIXPASA-N 447.506 5.569 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CCC[C@@H]1c1cccs1 12691208 AQRJGBMONQPKIK-OAQYLSRUSA-N 429.545 5.587 0 40 IKAB CCOc1ccc(-n2c(S[C@@H](C)c3nc(C)no3)nnc2-c2cccc(Cl)c2)cc1 12747764 WAUYMNRVLCTFIV-ZDUSSCGKSA-N 441.944 5.531 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCC2=CCCCC2)C(=O)c2ccco2)cc1 13026753 RJJHQKZGRRVNMR-VWLOTQADSA-N 434.580 5.721 0 40 IKAB CN(C)[C@H](CNc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccccc1Cl 13031431 LSGUKRXOARVYCQ-LJQANCHMSA-N 443.403 6.380 0 40 IKAB CCOc1ccc([C@H]2CCCN2C(=O)c2cn(-c3ccccc3)nc2-c2cccnc2)cc1 13126898 ZQUSNIGLEBXRDS-RUZDIDTESA-N 438.531 5.310 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1 13498333 WNKYJPWDXBITPT-AREMUKBSSA-N 446.616 5.741 0 40 IKAB Cc1ccccc1N1C(=O)C[C@H](Sc2cccc(NC(=O)Nc3ccccc3)c2)C1=O 13576757 JNCVQTQHGDTRMM-NRFANRHFSA-N 431.517 5.063 0 40 IKAB O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4cccc5ccccc45)nn3cc21 13634450 QZEUMUWJTBMPMZ-KRWDZBQOSA-N 442.569 5.544 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccccc1 13955577 VFRCBCKRGZLQNR-DNOBIOAJSA-N 437.543 5.289 0 40 IKAB Cc1ccc(Cn2ccc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)n2)cc1 13960868 LONWKIOLUGAXGK-UHFFFAOYSA-N 426.589 5.639 0 40 IKAB C[C@H](NC(=O)c1ccccc1I)c1ccc(-c2ccccc2)cc1 14066343 UNORRBKUUCOTLF-HNNXBMFYSA-N 427.285 5.449 0 40 IKAB CC[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(Br)c(O)c(OC)c2)N3)C1 15945414 PFOWIHQBYOLWEJ-VVVCHXIZSA-N 437.359 5.169 0 40 IKAB CCOc1cc(CNCc2ccccc2Cl)cc(Cl)c1OCc1ccc(F)cc1 16688524 RHIAZBCJFZAIGK-UHFFFAOYSA-N 434.338 6.400 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccc(C)cc2)cc1 16788834 ZRSXLHLYDWFGBK-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)NC(=S)Nc1ccc(C(F)(F)F)cc1Cl 17097255 KOEZIPVMOHQHHX-UHFFFAOYSA-N 430.923 5.778 0 40 IKAB CCN(C(=O)CSc1nccn2nc(-c3ccc(Cl)cc3)cc12)c1cccc(C)c1 17288200 PWBSKMOLLCFEQG-UHFFFAOYSA-N 436.968 5.503 0 40 IKAB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccc(C)cc3)c(Br)c12 17297450 MWJVIWDPRPPUHM-UHFFFAOYSA-N 445.265 5.021 0 40 IKAB O=C(COc1ccc2ccc(=O)oc2c1)N1c2ccccc2SC[C@@H]1c1ccccc1 17674023 JANILIYIUMYHSQ-OAQYLSRUSA-N 429.497 5.052 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)C[C@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 19220170 XKPNINLRIRRADH-PZJWPPBQSA-N 427.552 5.092 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3cc(C(C)(C)C)nn3C)CC2)n1 19691208 QTXHNEOOJQQCNF-UHFFFAOYSA-N 434.559 5.247 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCCOc3ccccc3)c2)cc1 20455041 RCQOICIAIBZNHY-UHFFFAOYSA-N 430.548 6.034 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccccc1 20491011 SQAGUBQWQPVXJX-QFIPXVFZSA-N 444.756 5.696 0 40 IKAB O=C(c1ccc(OCCSc2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1 20495257 GVKDAMVIKXPGJQ-UHFFFAOYSA-N 431.601 5.953 0 40 IKAB CCOC(=O)c1nnc2c(-c3ccccc3)c(C)nn2c1CSc1ccc(Cl)cc1 20633635 HUCUKZLXYPCYQT-UHFFFAOYSA-N 438.940 5.222 0 40 IKAB O=C(Nc1ccccc1Br)c1ccn(COc2ccc(-c3ccccc3)cc2)n1 27971842 PGSRDYGYVZEYIC-UHFFFAOYSA-N 448.320 5.601 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3C(=O)c2ccccc2)cc1Cl 28206939 IEZKVPNQGLSJJY-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB Cn1c(SCc2nc3ccccc3c(=O)n2-c2ccccc2Cl)nc2ccccc21 30835933 JTZGPCXYNKWDHF-UHFFFAOYSA-N 432.936 5.218 0 40 IKAB CC1CCN([C@H](CNC(=O)CCCc2nc3ccccc3s2)c2cccs2)CC1 32983116 MWBGADYMMMRAFQ-LJQANCHMSA-N 427.639 5.270 0 40 IKAB CC(C)Cn1c(SCc2cccc(Cl)c2)nc2cc(C(=O)NC(C)C)ccc2c1=O 33076965 SFDOQQPQVVYYFQ-UHFFFAOYSA-N 444.000 5.136 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 35312318 PKRSGZXUGCODON-HSZRJFAPSA-N 448.519 5.180 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)cc1Cl 35351498 ARULIFWPUXMFKW-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)cn(Cc3ccc(Cl)cc3)c12 39556525 CLRNKSMIXQXNED-BKUYFWCQSA-N 437.996 5.325 0 40 IKAB Cc1ccc(-c2nn3c(N4CCN(c5ccc(Cl)cc5)CC4)cc(C)nc3c2C)cc1 40216931 ICTYOBZGRIZTTE-UHFFFAOYSA-N 431.971 5.302 0 40 IKAB Cc1cc(CN2CCC(CNC(=O)C3c4ccccc4Oc4ccccc43)CC2)c(C)o1 43972852 UMUVBVRZZCGIMF-UHFFFAOYSA-N 430.548 5.162 0 40 IKAB O=C(CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1ccccc1)N1CCCC1 44086091 RHJXWRGEWFPYQZ-UHFFFAOYSA-N 432.376 5.561 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 44886384 KOWROIKPVSICSE-XMMPIXPASA-N 449.978 6.665 0 40 IKAB COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44900491 VAJCNCONDHDDIL-XMMPIXPASA-N 425.550 5.553 0 40 IKAB CCc1ccc(-c2c(C(=O)NC[C@H]3CCCO3)sc3c2cnc2ccc(F)cc23)cc1 45944007 IPKWOYRUZBCBLB-GOSISDBHSA-N 434.536 5.727 0 40 IKAB CCOc1ccc(-c2nc(C[S@](=O)Cc3ccc(C(C)(C)C)cc3)cs2)cc1OC 58157982 JIYUHDFTQNTZDO-PMERELPUSA-N 443.634 5.964 0 40 IKAB CCOc1ccc2nc(SCC(=O)N3c4ccccc4CCc4ccccc43)[nH]c2c1 67192350 BZLHTGYPCJZFDY-UHFFFAOYSA-N 429.545 5.517 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(Br)cc2)nc(-c2ccc(F)cc2)n1 67257180 ALSOAHFARLLKPX-UHFFFAOYSA-N 432.318 5.084 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)C2(c3nc(-c4ccc(F)cc4Cl)no3)CCCC2)c1 72289755 CDFXLNQXJRPGEZ-UHFFFAOYSA-N 434.920 5.389 0 40 IKAB COCCNC(=O)c1cccc(Nc2nc(-c3ccccc3)c3ccc(Cl)cc3n2)c1 79060690 UBDNHXAGFPYWTF-UHFFFAOYSA-N 432.911 5.070 0 40 IKAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)N1CCC[C@H](C(F)(F)F)C1 84341490 YXNZBKRIPCLLLQ-ZDUSSCGKSA-N 439.305 5.026 0 40 IKAB COc1ccc2cc([C@@H]3CC(c4cccc(C)c4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 89669228 PXAYKNQUACBMBS-QFIPXVFZSA-N 445.906 5.790 0 40 IKAB CC(C)C(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(C(C)(C)C)cc1 101639446 LUKQXVJWLACPJD-AREMUKBSSA-N 444.619 7.433 0 40 IKAB Clc1cccc(COc2ccc(Cl)cc2CNc2ccc(Cl)cc2Cl)c1 107031516 HQGJBVGDPDRHRU-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC[C@H](/C=C/[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118928241 WAIQWYALYSCYLA-LVVYUBKHSA-N 426.729 8.455 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)c1 216034172 BJRYZDHHYQHFCK-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222903154 PDFKGIVNQBOXLG-CQSZACIVSA-N 439.358 5.007 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222911419 QLEPOUJFUVZXFC-SFTDATJTSA-N 445.419 5.808 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 223074711 RVJKDHOHQIZRQY-DLBZAZTESA-N 435.395 5.258 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)COc1ccc(C(C)(C)C)cc1Br 223781178 ALDDMWGJUCAYAZ-UHFFFAOYSA-N 448.401 5.444 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCSc1ccccc1 224243773 MHLDQAIIAUADGB-XMMPIXPASA-N 438.637 5.343 0 40 IKAB COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 224385545 WMXGERDBMMSMGH-UHFFFAOYSA-N 430.548 5.735 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccnc2)N1c1ccc(Cl)cc1 224454564 NJWCUZZCGXIFAR-FCHUYYIVSA-N 431.952 5.098 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225091839 OIBLFVQJSDCJKU-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC(C)CC4)cc3)CCCCC2)cc1 225542771 XLCUHFYLHVJGIX-UHFFFAOYSA-N 448.651 6.336 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 225580076 AMXBDCYABKGBPV-IBGZPJMESA-N 436.577 5.158 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225743820 XGHMIPVDBRWQHS-JTSKRJEESA-N 449.422 5.566 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OCC(C)C 225750516 RFXCPGDAPRSYPL-UHFFFAOYSA-N 429.944 5.612 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(CO)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@H]2C1 231537546 VKFYBVXBUHHZMW-ISSAZSKYSA-N 442.728 7.141 0 40 IKAB biogenic,in-vitro Cc1nc2ccc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)cc2s1 257258715 KVFAMKDNRRVXQN-HSZRJFAPSA-N 447.991 6.221 0 40 IKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CC3=CC(C)(C)NC(C)(C)C3)n2)s1 257281621 OQDXAIXSRJFMAO-IBGZPJMESA-N 439.629 5.121 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Br)c2)S1 260769368 LTXHGWZFKUHNND-VOBQZIQPSA-N 439.382 5.224 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(Br)s3)ccc21 393001010 KTRPWAYLUHCKTQ-UHFFFAOYSA-N 435.368 5.439 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2cc(Cl)ccc2C)c1 408697200 FYYVFSWEVIQRJX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)c1C 408698496 QGTQZTUJWFYQNM-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB O=C(Nc1cccc2ccccc12)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408699007 QUTDDVJACYQAHN-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCc1ccc(Cl)c(Cl)c1 408814204 QOSASSQJVYGBOI-ZDLGFXPLSA-N 438.332 5.637 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@H]2c2ccc(C(=O)O)cc2)cc1 409180785 VSDSLEHIFVZQQE-HHHXNRCGSA-N 448.522 6.059 0 40 IKAB COc1cc(Cl)cc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585265121 VSOPYSAXZKHLFD-MCNSAMFCSA-N 430.928 5.299 0 40 IKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1ccccc1)CCOCCO2 643589056 MMBKLZGCKUZGFC-UHFFFAOYSA-N 429.560 5.452 0 40 IKAB CC1CCN(C(=S)c2cn(C(=O)c3ccc(Br)cc3)c3ccccc23)CC1 638321 IWLVFFJDFLHKGR-UHFFFAOYSA-N 441.394 5.500 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CC[C@H](C(C)(C)C)C3)c1 644019 XJYCGQXVCCMWTE-SFHVURJKSA-N 447.604 6.107 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cccc(C)c2C)c1C 871262 OZZWOIKUKYGEGB-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB CCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc(C(=O)OC)oc1C 1902706 FDICBVLNOFQYQE-UHFFFAOYSA-N 432.472 5.680 0 40 IKAB Cc1ccc(N[C@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1C 2054643 PQAGEJOCMKESJL-LJQANCHMSA-N 427.803 6.139 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccc(OC)c(OC)c1)Nc1ccccc1-2 2083914 SRSWUSXJBXDDMO-OAQYLSRUSA-N 438.553 5.341 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@@H](c1ccccc1)C1CCCC1 2300848 QVJFJQBKRUBPAD-LOSJGSFVSA-N 448.404 6.629 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccc(C)cc3)c3ccccc23)cc1 2322138 INCHAHPNHPBZNR-UHFFFAOYSA-N 440.547 5.596 0 40 IKAB Cc1cc(OCC(=O)Nc2cccc(I)c2)c(C(C)C)cc1Cl 2652450 RFCZFVPISAODDN-UHFFFAOYSA-N 443.712 5.394 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2c(C)[nH]c3ccccc23)sc2c1CCCC2 2718338 CYXLPOHUMFHJER-UHFFFAOYSA-N 428.579 5.324 0 40 IKAB CCOc1ccc(OCc2ccc(C(=O)N[C@H](CC)c3ccc(C(C)C)cc3)cc2)cc1 2739471 ZUWGYHUQWQWSHB-HHHXNRCGSA-N 431.576 6.669 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1Cl 2758493 WKVDYFQZXNMNCI-UHFFFAOYSA-N 428.963 7.314 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2ccc(Cl)cc2Cl)c1 3041706 QCVPGHQTGGTDPL-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134491 FDWACRDHYJGSEX-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2ccc(C(F)(F)F)cc2)c2ccccc2)cc1Cl 3312185 SPZZHOAGEJXILA-HXUWFJFHSA-N 447.840 6.204 0 40 IKAB Nc1c(-c2nc3ccccc3s2)nn(-c2ccccc2)c1C(=O)c1ccc(Cl)cc1 3325460 RGMCNZAZFSMALJ-UHFFFAOYSA-N 430.920 5.616 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccccc3OCc3c(C)noc3C)n2)cc1 3344471 WIFVOJTYWBNVEJ-UHFFFAOYSA-N 435.505 5.255 0 40 IKAB CCN1C(=O)/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)N=C1S 3641868 YZTOPASKSJQQLI-RGEXLXHISA-N 439.968 5.253 0 40 IKAB O=C1c2ccccc2C2(c3ccccc31)[C@H](C(=O)c1ccccc1)[C@H]2C(=O)c1ccccc1 4973029 CCPHOZPNGOCXHR-UIOOFZCWSA-N 428.487 5.529 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H](CC(=O)O)[C@H]([C@]3(C)CC[C@H](O)CC3=O)CC[C@]2(C)C1 5047627 XUEQTRQROYLIEL-DYXABCIRSA-N 448.688 6.493 0 40 IKAB CCCCc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 6148294 WDEUITRIKBCRTN-UHFFFAOYSA-N 434.587 7.276 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 7543474 RMDJDWNTHYUZML-NRFANRHFSA-N 425.532 5.312 0 40 IKAB COc1ccc([C@@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 8382980 AFRWOSWUNHFAGE-JYFHCDHNSA-N 428.557 5.338 0 40 IKAB CCN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)cc3Cl)c3ccccc23)NC1=S 8395871 KYFNSMLFTNWGJN-NVMNQCDNSA-N 430.360 5.074 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2)cc1 8452531 WXPBHFKNYWAVNB-GOSISDBHSA-N 434.967 6.533 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CNC(=O)c1ccc(C(C)(C)C)cc1 8857218 PRGKJINRQJRZTC-UHFFFAOYSA-N 432.511 6.365 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)cc1OC 9044709 WCAQBBZZXCBAQZ-OAQYLSRUSA-N 438.886 5.488 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1Cl 9059056 LZSGBDDYORZVID-UHFFFAOYSA-N 446.963 5.898 0 40 IKAB Cn1c(NC(=O)c2ccc(Cl)cc2)c(-c2cccc3ccccc23)c(=O)c2ccccc21 9327900 GTAPHMDXCFQOJQ-UHFFFAOYSA-N 438.914 6.264 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C)cc2Cl)cc1 9345734 PBLKKJRGFGJZAM-UHFFFAOYSA-N 448.950 5.893 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccn3)sc2c1 9347816 GIZZDNCPAWHBHM-OAQYLSRUSA-N 439.496 5.164 0 40 IKAB CC[C@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 9430389 UCPJDYCVQGWTTI-LQJQRVQGSA-N 446.502 6.005 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)c1 9515979 QPXDLYZZCYSENM-HHHXNRCGSA-N 427.592 5.369 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1c(Cl)cccc1Cl 9516410 PPMILXJRUBQWPR-JTQLQIEISA-N 439.393 5.768 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 9516677 PIJPPFAFFBOTRW-AREMUKBSSA-N 441.575 5.091 0 40 IKAB CC(C)n1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1cc2ccccc2o1 9595114 ZFZRHDZVGWTQJK-UHFFFAOYSA-N 442.544 6.156 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)Nc1ccccc1 9664089 PIPXVASSGGPXPG-UHFFFAOYSA-N 434.952 5.378 0 40 IKAB CC(C)Cn1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)c2ccccc2c1=O 9730230 UHNDNQXPCWOMCN-FQEVSTJZSA-N 446.576 5.030 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CNC(=O)c3sc4ccccc4c3Cl)c2)cs1 9883635 WJTVVDNESCVCDC-UHFFFAOYSA-N 441.965 5.355 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2SCc2ccccc2)cc1 9953372 WGIDJQSLFJBQGC-UHFFFAOYSA-N 444.556 6.415 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10313878 HXNWEKPGXMJBJX-UHFFFAOYSA-N 440.540 5.168 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccccc4Cl)cc3C[C@H]2C)cc1 10326646 QIHRISHUASNZRL-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB N=C1S[C@H](Cc2ccccc2)C(=O)N1c1ncc(Cc2cccc3ccccc23)s1 11692942 QLTNIGLDLZVWSU-OAQYLSRUSA-N 429.570 5.513 0 40 IKAB CCCCN[C@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1 12420153 QFPROSYDZYVJDI-HSZRJFAPSA-N 443.616 6.645 0 40 IKAB COc1ccc(N[C@H](C(=O)Nc2nc(-c3ccc(C)cc3)cs2)c2ccccc2)cc1 12525002 BUVMBNMUISMHFH-QHCPKHFHSA-N 429.545 5.919 0 40 IKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@@H]1c1nc2ccccc2s1 12599074 FURCLTXABAPGHW-GFOMBABLSA-N 440.952 5.488 0 40 IKAB O=C(CSC1=N[C@H](C(F)(F)F)C[C@@H](c2ccccc2)N1)Nc1ccc(Cl)cc1 12848128 BYHXSIPDCNVOCY-HOTGVXAUSA-N 427.879 5.033 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3cc(C)cc(C)c3)cs2)cc(OC)c1 13010355 WTDDHXADMCLGAN-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)c1 13025922 IUVIGXVUZZZBJB-XMMPIXPASA-N 432.520 5.044 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1Br 13476362 FTLKMJLLPAMPLH-MYNGYRLFSA-N 444.328 5.154 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2)[C@H]2C[C@@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 13510784 XKRAANNKPJEXFV-IBVKSMDESA-N 442.559 5.865 0 40 IKAB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)cc(Cl)c1OCCOc1ccccc1 13943714 FVWQVQCIQJZXIE-RCCKNPSSSA-N 449.890 5.151 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccco1)C1=CCCCC1 14085557 PJWMPYGEXXAQKV-UHFFFAOYSA-N 434.565 5.317 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 15305027 VFXUNXVHKCKVQJ-GSDHBNRESA-N 443.628 5.938 0 40 IKAB COc1ccc(N2C(=O)CN(c3c(C)cccc3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 15412176 LTRRCRTVRGGQTD-MHZLTWQESA-N 442.559 5.557 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)cc1 16768370 VUSKJKYLOYNAHS-UHFFFAOYSA-N 434.543 6.123 0 40 IKAB Cc1cc(C)cc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)c1 17010861 QWPHXBQHHUJCNB-UHFFFAOYSA-N 438.579 6.478 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 19400607 FWYNNGDBIOFPQV-PXDATVDWSA-N 442.588 5.075 0 40 IKAB c1ccc(CCCOc2cccc(NCc3ccccc3OCCc3ccccc3)c2)cc1 19738513 SRFGJUXUZQFCDN-UHFFFAOYSA-N 437.583 6.932 0 40 IKAB COc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1-c1ccc(CO)o1 20145010 ZRZLGFIVWNEVHH-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 20483631 KJGCMBALDJCKHI-UHFFFAOYSA-N 449.572 6.067 0 40 IKAB Cc1c(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)oc2c1ccc1ccccc12 21600955 SRUJNDCXNMMMKZ-OAQYLSRUSA-N 429.907 5.801 0 40 IKAB CCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 22074062 UNSPTVOQNLDUGK-UHFFFAOYSA-N 426.782 5.970 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)c(C)c1 22273916 GDTFZKOEHJNGCL-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB CCn1cc(C(=O)N[C@H](C)c2cc(C)c(C)cc2C)c(=O)c2cc(C(F)(F)F)ccc21 22606078 CLHPVLVHSAJEHQ-MRXNPFEDSA-N 430.470 5.456 0 40 IKAB FC(F)(F)c1cccc(COCCN2CCN(Cc3cccc(C(F)(F)F)c3)CC2)c1 22863001 UDKDJEBYTLAKEE-UHFFFAOYSA-N 446.435 5.059 0 40 IKAB Cc1ccc([C@H](C)Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)o1 24600937 WCDMYJNBXRZYNN-HNNXBMFYSA-N 440.594 5.327 0 40 IKAB O=C1CN(C(=O)c2ccccc2Cl)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048083 XORPJUFMUJEMJT-OAQYLSRUSA-N 429.278 5.316 0 40 IKAB Cc1ccccc1-n1c(SCc2noc(-c3cccs3)n2)nnc1-c1cccnc1 30024296 IRAOGEWWTUATJM-UHFFFAOYSA-N 432.534 5.042 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1Cl 35198239 OHDIZGOMQCQSBQ-SGEFVQMOSA-N 449.912 5.133 0 40 IKAB CCOC(=O)COc1c(Br)cc(CNC(C)(C)CC(C)(C)C)cc1OCC 36611836 MRDSAGBPWACLSJ-UHFFFAOYSA-N 444.410 5.094 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)o1)c1cccc(NC(=O)c2cccc3ccccc23)c1 39742926 SPSOSNQVSWUIFL-UHFFFAOYSA-N 434.455 5.394 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)Nc2c(Cl)cccc23)cc1 49947066 FIUSKSPXUZPKFQ-VWLOTQADSA-N 431.923 5.560 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nc2ccsc2c1=O 67209164 NRZWGWRLORZTJD-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cccc5ccccc45)c(C)c3s2)n1 72228629 XMTXZTHFYGQYGL-UHFFFAOYSA-N 426.545 6.121 0 40 IKAB CC[C@H]1CN(Cc2ccccc2)CCN1C(=O)CCc1ncc(-c2ccccc2Cl)o1 72303035 RDJBNNMAGAXSBV-FQEVSTJZSA-N 437.971 5.051 0 40 IKAB Cc1nn(C)c2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc12 72357504 NIVPDLAJPZCHAK-HXUWFJFHSA-N 428.511 5.103 0 40 IKAB COc1ccccc1Cc1cccc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 72358022 RWXYKGYUVBRLRQ-VWLOTQADSA-N 425.532 5.069 0 40 IKAB COc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 72398613 NPLWUADKUOXYNA-NVQXNPDNSA-N 449.639 5.085 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96102978 LVWQKMFCLHXFHW-UHFFFAOYSA-N 440.290 5.673 0 40 IKAB CCOC(=O)c1sc(N2N=C(c3ccccc3)C[C@H]2c2ccc(Cl)cc2)nc1C 96319011 FHVSEHYJQXNHTH-IBGZPJMESA-N 425.941 5.637 0 40 IKAB COC(=O)C[C@H](c1ccc(Cl)cc1)c1oc(CSc2ccc(F)cc2)cc(=O)c1O 96335860 MERDHOXMXBDHQT-GOSISDBHSA-N 448.899 5.125 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(N3C[C@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1OC 101246322 DUGYWDXJMJCOLK-OYHNWAKOSA-N 435.490 5.585 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101987173 JZHYJIYCLMFOKD-YWQGAKJTSA-N 426.604 6.754 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)cc1Cl 108029470 RCIODEOUAIUJAN-UHFFFAOYSA-N 438.380 5.119 0 40 IKAB C[C@H](NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F)c1ccc(F)c(Cl)c1 195624999 CUGRQVGYVLMZNX-JTQLQIEISA-N 429.776 5.314 0 40 IKAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccccc2)s1 222749825 DIJOHQALSGAKEG-UHFFFAOYSA-N 446.406 5.079 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223115226 YUQNMVXFMJJFLK-XZOQPEGZSA-N 447.560 5.345 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 223191491 MGOYVNBBJGVVKY-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 223213187 PDNUSJAVROLWSJ-HSZRJFAPSA-N 440.653 5.340 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 223230644 GDVLIDDLVQLSKJ-FQEVSTJZSA-N 443.031 5.730 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 223642889 XKKKYKDRAIDJHZ-RUZDIDTESA-N 446.591 5.251 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223846475 HWMDBKCRODXCKO-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223854518 FSBIFRKAKXXNNH-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB Cc1ccccc1Nc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cn1 223984843 NOUVNQZXLVDOAT-UHFFFAOYSA-N 434.584 6.071 0 40 IKAB C[C@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1cccc(Cl)c1)S(C)(=O)=O 224009430 JCAAUIRMTRFDPV-CQSZACIVSA-N 442.924 5.033 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccccc1OC 224238826 KFMPVEKDFPYZPG-UHFFFAOYSA-N 446.330 5.520 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cccc(OC)c1 224588131 BBWVXJNJKVTSFS-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225230506 HZAQWKZZJIUIKX-WOJBJXKFSA-N 440.603 5.388 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)NCCSCc1ccc(Cl)c(Cl)c1 225369777 SNGHOCSFTHDUEF-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225664469 PVZZHXCWMNOHCH-FQRUVTKNSA-N 448.582 5.634 0 40 IKAB CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 257254180 KCBHEVNFKTVEKW-NQOWKFHGSA-N 443.628 6.511 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)cc1 257300349 RTYMVROALCDSNW-OAQYLSRUSA-N 439.559 5.496 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCCC2)cc1 260818181 WSGCRJWGYRXMOW-DEOSSOPVSA-N 448.651 6.336 0 40 IKAB S=C(c1cccc(OCc2ccc(Cl)cc2)c1)N1CCN(Cc2ccccc2)CC1 408577111 RHSHYBCRVGQIMS-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB COc1ccc2nc(C)c(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2c1 408713505 DBWMJOLMJLPSNA-UHFFFAOYSA-N 430.891 5.689 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1ccc(Cl)cc1 409193614 HXOKGJWYLJHQAK-UHFFFAOYSA-N 440.996 6.634 0 40 IKAB O=C(CCC(=O)c1ccc(Br)cc1)Nc1nc2c(s1)CCc1ccccc1-2 409204848 KIGXLMJMVSTAPC-UHFFFAOYSA-N 441.350 5.273 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1OCc1ccc(C)cc1 409232390 OOPHYRJVBOYNPY-HZHRSRAPSA-N 442.515 5.066 0 40 IKAB Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c(Br)c1 518078873 LJQZRQLOYYWVGX-LLVKDONJSA-N 444.156 5.222 0 40 IKAB O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)oc2c1c(=O)oc1ccccc12 604403961 GCYCBVJGLNZCON-UHFFFAOYSA-N 438.391 5.391 0 40 IKAB biogenic COc1ccc([C@H](NC(=O)N2CCC[C@H]2c2nc3ccccc3s2)C(C)C)cc1OC 604418808 FIEISPJWWPEVGB-PGRDOPGGSA-N 439.581 5.557 0 40 IKAB Cc1ccc(N2CCC[C@@H](NC(=O)c3cccc(OCc4cccc(Cl)c4)c3)C2=O)cc1 1615055855 RFISSWXIUIEYPK-XMMPIXPASA-N 448.950 5.153 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3ccc(F)cc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872748 JGYAQRXSBYIYIK-HOUBMWHVSA-N 426.528 5.729 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238389 OSYGNEOCCSKLON-BAKLNWNLSA-N 438.652 6.325 0 40 IKAB O=C(c1ccccc1)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2-c2ccccc2)cc1 633053 HUWXIVJVIXYATL-UHFFFAOYSA-N 443.506 6.023 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 722915 NHNXKIRWRSRPPJ-UHFFFAOYSA-N 428.879 5.895 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 842027 KRQIILQWVUYYST-LQDNNDEMSA-N 433.429 5.276 0 40 IKAB CC1(C)Cc2ccccc2-c2nnc(SCC(=O)Nc3ccccc3-c3ccccc3)n21 882886 OUKOPVFYTKDGGX-UHFFFAOYSA-N 440.572 5.634 0 40 IKAB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCCC4)c(C)n1Cc1ccco1 952979 ORPNZBKYVOIPGW-UHFFFAOYSA-N 437.590 5.605 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)cc12 1371665 YREQVXOCDNEHSE-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 1775588 IGOZVZGOKYOBES-UHFFFAOYSA-N 446.934 6.696 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4c(O)n(C)c5ccccc5c4=O)cc3)sc2c1 2307854 NKRVYRMOFIRRDQ-UHFFFAOYSA-N 441.512 5.082 0 40 IKAB CCOC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4)ccc3c2=O)cc1 2402073 ILSDCUFGTUIAHJ-UHFFFAOYSA-N 430.456 5.649 0 40 IKAB biogenic O=C(Nc1ccc(F)cc1F)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041648 WNOCGQDVYNRLNZ-UHFFFAOYSA-N 443.664 5.387 0 40 IKAB COc1cc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)ccc1OCc1ccc(Cl)cc1 3338158 GDENISTWLMOHJC-LPYMAVHISA-N 447.918 5.889 0 40 IKAB C[C@H]1CCc2sc(C(=O)O[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc2C1 3455333 IPJBZGWOOUYDMQ-KBPBESRZSA-N 426.563 5.180 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=CC1 3846377 GSMGNZCKZIUPCV-BRHPATDUSA-N 444.656 6.641 0 40 IKAB biogenic CCCCCN(CCCCC)CCCNc1c2c(nc3ccc(Cl)cc13)CCCC2 4353007 VANLVMAOAPXBHN-UHFFFAOYSA-N 430.080 7.251 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(CN2CCCCC2)cc1 6297061 LGWBTWDQUJEHDZ-KPKJPENVSA-N 429.358 5.096 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1 6301258 ODJZAWSIBOHELB-IBGZPJMESA-N 433.621 5.525 0 40 IKAB CC(C)[C@H]1CC[C@H](C)c2c(-c3cccc4ccccc34)nn(C(=O)/C=C/c3ccccc3)c21 8442248 HDZWLZAXCRWLFQ-SXLMQBLVSA-N 434.583 7.694 0 40 IKAB COc1cc(Cl)cc(Cl)c1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 8444296 NMMVKCAXDYRXFC-WMZHIEFXSA-N 425.315 6.244 0 40 IKAB O=c1c2c3c(sc2nc2n1N=C(c1ccc(-c4ccccc4)cc1)CS2)CCCC3 8453268 VSPANDIHKULTSK-UHFFFAOYSA-N 429.570 5.362 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c(OCC(=O)c4cc5ccccc5o4)ccc23)cc1 8751744 NNWLYUSEGPGGIV-UHFFFAOYSA-N 440.451 5.785 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8753291 MMFOYVRYYQURAN-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB Clc1ccc(-c2cnn3c(-c4ccc(-c5ccc(Cl)cc5Cl)o4)ccnc23)cc1 8857210 VMGLGPVRWZIAKB-UHFFFAOYSA-N 440.717 7.284 0 40 IKAB COc1ccc([C@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCCC2)cc1 8916985 MNSJONTYULENEM-IBGZPJMESA-N 428.985 5.439 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 8919347 TUUDUZDTHDPEJZ-UHFFFAOYSA-N 432.545 6.321 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(O)C[C@H](c3ccco3)CC2=N1 9087765 LPJQVZLAGODLRX-IQMFZBJNSA-N 431.517 5.577 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1cccc(OCc2ccccc2)c1 9095282 FHNJVCKRPZEGQN-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB Cc1cc(OCC(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)ccc1Cl 9408841 CHOSAUNJAFCYES-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(SCC(=O)c4ccc5c(c4)OCCCO5)o3)cc2C1 9503310 SVEPGZJKNZBTDZ-CYBMUJFWSA-N 442.562 5.059 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccc(Cl)cc1 9546611 XDXYFZMYNHEAON-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2ccccc2o1 9595116 ACQNPMPYPNDEOY-UHFFFAOYSA-N 442.544 6.156 0 40 IKAB CCc1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)n2)cc1 9684050 MXHKAZBSGWKTFY-UHFFFAOYSA-N 437.540 5.003 0 40 IKAB O=C(CSc1ccc2ccccc2c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9712131 SCIBVRIETGHYSK-UHFFFAOYSA-N 428.561 5.556 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C[C@H]1C 10153182 SJJGTAKHHUYIRA-CJFMBICVSA-N 448.588 5.404 0 40 IKAB Cc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CSCc3ccccc3)nc12 10611753 VTGIJWIRSJWQMY-UHFFFAOYSA-N 433.602 5.775 0 40 IKAB COc1cc(CCC(=O)N(C)[C@H](c2ccccc2)c2ccc(F)cc2)cc(OC)c1OC 10802796 XOGPDAZFIJDJBF-RUZDIDTESA-N 437.511 5.032 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(Cl)c2C)cc1 11116359 WVXVIMMSLHDULY-RTWAWAEBSA-N 427.957 5.165 0 40 IKAB Cc1c(CC(=O)NCc2ccc(F)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 11867552 LIAFEVHMQUTCRL-UHFFFAOYSA-N 435.495 5.452 0 40 IKAB COc1ccc(CCn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)cc1OC 11916149 OBSWJWZXQYGAEB-UHFFFAOYSA-N 426.925 5.038 0 40 IKAB O=c1c2c(nc(SCc3ccc(C(F)(F)F)cc3)n1CCc1ccccc1)CCS2 12140524 DCHRUYVQYDQANI-UHFFFAOYSA-N 448.535 5.445 0 40 IKAB COc1ccc2c(c1)c(Cc1nc3ccccc3s1)c(C)n2C(=O)c1ccc(Cl)cc1 12651057 PDDVGNHPXMFZCH-UHFFFAOYSA-N 446.959 6.501 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)c1ccc(Br)cc1 12738639 QSSYHWQVVUNXLC-GFCCVEGCSA-N 448.411 5.391 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 12843194 JEWYQKGIJXVOFK-UHFFFAOYSA-N 449.557 5.113 0 40 IKAB COCc1c(C(=O)O[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)sc2cccc(F)c12 12926457 HFJFNTWSFTYYKE-OAHLLOKOSA-N 429.513 5.296 0 40 IKAB CC(=O)c1ccc(SCC(=O)Nc2cccc(NC(=O)Nc3ccccc3)c2)c(F)c1 12980237 DHJRWBMAUHBIRJ-UHFFFAOYSA-N 437.496 5.403 0 40 IKAB CN(C(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@@H](C(C)(C)C)C2)c1ccccc1 13129131 RHQJTLDEHCWAGX-GOSISDBHSA-N 430.548 5.206 0 40 IKAB Cc1ccc(C2=CSC3=NC4=C(CCC/C4=C\c4ccccc4)[C@@H](c4ccccc4)N23)cc1 13595620 QCRAKAHFAMILHC-TXSZGURLSA-N 446.619 7.975 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 13811609 DYIUZWZEWWAQJR-SFHVURJKSA-N 446.414 5.255 0 40 IKAB O=C(Nc1nc2ccc(Oc3ccccc3)cc2s1)c1ccc(CN2CCOCC2)cc1 14019951 HNTAFCAFIUEJGJ-UHFFFAOYSA-N 445.544 5.173 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H]3c3ccc4c(c3)OCCCO4)cc12 14066111 BPPGWSJBLQSLSZ-IBGZPJMESA-N 439.581 5.201 0 40 IKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)ccc1OCCOc1ccccc1 14128512 YPVFMDJXDWJIPE-UHFFFAOYSA-N 446.330 6.102 0 40 IKAB CC(=O)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 15321161 XRPYRCCVSZYAQT-UVNNMRLGSA-N 428.657 6.893 0 40 IKAB COc1ccccc1-c1cc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nccn2n1 16842103 SBGGFZDCOHIMCN-UHFFFAOYSA-N 432.549 5.061 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c1 17101113 MEBNESJAOPRWNA-UHFFFAOYSA-N 437.304 5.094 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2cccc(C)c2)cc1 19635417 IONGVWPIQCFVEZ-UHFFFAOYSA-N 442.342 6.326 0 40 IKAB COc1ccc(-c2cn3c(CC(=O)Nc4ccc(C(F)(F)F)cc4)csc3n2)cc1 20555541 CENNQYXOEKEOIX-UHFFFAOYSA-N 431.439 5.271 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1cccnc1Nc1ccc(F)c(Cl)c1 22072909 CABGRFWQYBORKP-UHFFFAOYSA-N 425.769 5.769 0 40 IKAB Cc1csc(SCc2c(C(=O)Nc3ccc(F)c(F)c3F)oc3ccccc23)n1 22395912 PYYSGZHISRNMEL-UHFFFAOYSA-N 434.464 6.160 0 40 IKAB CC(C)Cc1ccc([C@@H](C)c2nc3ccccc3n2CC(=O)N(C)c2ccccc2)cc1 27695214 FDWAUZMPHGXWLI-OAQYLSRUSA-N 425.576 6.050 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)Cn1ccnc1C 28296653 AVIVGRSHCXPSTQ-RUZDIDTESA-N 435.571 6.158 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@H](C[C@@H](O)c1ccc(Cl)cc1)c1ccc(Cl)s1 30691434 WRGOVNKNTPWHLZ-HZPDHXFCSA-N 447.339 6.123 0 40 IKAB in-man COc1ccc(Cl)cc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32578483 FVLRPJUKZLNUHL-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc2ccccc2c1 32686511 DURWFJRXRMENDH-UHFFFAOYSA-N 436.540 5.818 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 32795274 YPJARGZGFNKMNV-CQSZACIVSA-N 434.521 5.075 0 40 IKAB Cc1ccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)cc1C 32951338 QLJAGQWDYFDAET-UHFFFAOYSA-N 430.577 6.301 0 40 IKAB COc1cc(C(=S)N2CCCC2)c(Br)cc1OCc1ccccc1Cl 33614333 CQHGAGLTQQLCRC-UHFFFAOYSA-N 440.790 5.461 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cccc(C)c1C 35074379 OFKPTNFHHMMYNC-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB Cc1ccc([C@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 44844666 GCVUNWQEQOVGMB-HSZRJFAPSA-N 430.400 6.441 0 40 IKAB Oc1ccc(-n2cnnc2)cc1-c1nc2cc(-c3ccccc3)cc(Br)c2o1 45920620 ZGADOIABVPWYTJ-UHFFFAOYSA-N 433.265 5.211 0 40 IKAB O=c1[nH]c(-c2cnn3c(C(F)(F)F)ccnc23)nc2scc(-c3ccccc3Cl)c12 60062219 RHOVPOXPFSYOKD-UHFFFAOYSA-N 447.829 5.034 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3ccc(CC)cc3)c(=O)c3ccccc23)n1 67245332 ASTQFJOQAHYKPA-UHFFFAOYSA-N 437.499 5.669 0 40 IKAB CCN(CC)C(=O)c1cnc2ccc(Cl)cc2c1N1CCN(c2cccc(C)c2)CC1 72328434 IGHGPSKGEWLEOW-UHFFFAOYSA-N 436.987 5.005 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2cccc(C)c2OC)n1 72390642 DIORAKOPHNSMMR-JOCHJYFZSA-N 430.552 5.094 0 40 IKAB Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)[C@@H]1Cc2ccccc2S1 84219732 XGSFEAGGDWQRHR-QHCPKHFHSA-N 445.563 6.387 0 40 IKAB COc1ccc(CNC(=O)C[C@@H](c2ccc(OC)cc2)c2c[nH]c3cccc(OC)c23)cc1 85875482 HDHSZSFNQUPDOE-QFIPXVFZSA-N 444.531 5.032 0 40 IKAB biogenic Cc1cc(C)n2nc(SCC(=O)c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc2n1 94992719 UXBXFYDBLPNAEL-UHFFFAOYSA-N 426.586 5.017 0 40 IKAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3cccc(C(C)C)c3)n2)cc1F 98211433 CCAOQBQSMRVCIL-UHFFFAOYSA-N 434.471 5.115 0 40 IKAB COc1ccccc1[C@@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1cccs1)N2Cc1ccccc1 100463485 YMAUOWKZFNZVSE-FGJSELGCSA-N 433.573 5.503 0 40 IKAB COc1ccc2ncc(S(=O)(=O)c3ccc(Cl)cc3)c(Nc3ccc(F)cc3)c2c1 101148035 PBAXCKYYTUNEMX-UHFFFAOYSA-N 442.899 5.612 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=O)N(c4ccccc4C)[C@@]2(C)Oc2ccccc23)c(C)c1 101353316 YJWJKGCDYMEKKK-DPZBCOQUSA-N 441.531 5.246 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 103028961 UVWGKYLODFTVNF-YWBKXGLFSA-N 434.411 5.800 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc(Cl)c1O 106699745 IYXDPKUUWKSBNC-UUASQNMZSA-N 444.723 5.598 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 107589414 FISAFTSHXZRTCB-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 216487323 BGSQSIRTCTUWBB-OAHLLOKOSA-N 425.937 5.699 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4cccc5ccccc45)ccc32)cc1 223068895 ZRRFBJNGCBZTGU-UHFFFAOYSA-N 442.540 5.152 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223075708 CZCALNVWGNKKSM-UHFFFAOYSA-N 432.951 6.056 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl 223359432 RSTUTVRWUDZHMZ-PKTZIBPZSA-N 448.979 5.600 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 223399457 LJDIVWJKUXMCHA-RPWUZVMVSA-N 445.975 6.168 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223562616 SDAMEXABCHEKMZ-NRFANRHFSA-N 433.017 5.156 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1COc1ccc2ccccc2c1 224315064 SXCUOFPKIHADSH-UHFFFAOYSA-N 427.456 5.408 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1CSc1ccc(Cl)cc1 224351447 VPKIUTFUZWRJRM-UHFFFAOYSA-N 440.952 5.852 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224391289 SVXKWKOZCRHVNJ-UHFFFAOYSA-N 440.008 7.018 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(Cl)cc1 224500175 ZPKSPHOEVSMYPM-UHFFFAOYSA-N 434.294 6.363 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c1 225051945 ZBZRMOZMAFRBLT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225055127 OCZHLNXLZOHAQO-YADHBBJMSA-N 440.653 5.177 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225055601 QDSRYLFDPVQJEZ-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 225157756 RLQVVTHBYNDDKJ-HXUWFJFHSA-N 445.003 5.141 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC 225762297 OMPPVLKNLAHLCW-KRWDZBQOSA-N 427.516 5.630 0 40 IKAB O=C(N[C@@H](CC1=CS[C@@H]2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 230403014 PMDBULUWCYRQDX-YRUKQIKQSA-N 445.540 5.110 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)cc1 257232793 GMLKGBWGKGHIGH-HXUWFJFHSA-N 446.547 5.103 0 40 IKAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3oc4ccccc4c3C)CC2)on1 257277709 NZBSTTRQUIQIOZ-IYARVYRRSA-N 432.524 5.142 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccccc1 408571287 AWKOUKFFWTYLIM-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB CCCNC(=O)c1cc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)ccc1C 408626270 VQQOHBAQMPBAAE-UHFFFAOYSA-N 440.590 5.087 0 40 IKAB CCOc1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)cc1 408631670 GDQHULFDOSGJGV-YVLHZVERSA-N 432.885 5.015 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)cc1C 408645476 SIRVQSQYGOHWJD-SFHVURJKSA-N 434.923 5.741 0 40 IKAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccc(Cl)cc3Cl)CC2)cc1Cl 408971543 IFOZBMQLFIWAFM-UHFFFAOYSA-N 425.743 5.446 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408973523 SYIDYLGCXNTJHE-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 409101924 ZGUSABYYAHNBGI-UHFFFAOYSA-N 435.596 6.866 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1C 409107423 RUURBNPALXLOPB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB C[C@H]1COc2ccccc2CCCCC2(CCN(CCCc3ccccc3)CC2)C(=O)N1 643563613 GHVGGGWYSGXUNH-QHCPKHFHSA-N 434.624 5.012 0 40 IKAB CC(C)c1ccc(C[C@]2(C)Cc3cc(CCC(=O)NCCC4(O)CCCC4)ccc3O2)cc1 2037875619 XJZHELJYFYDTRW-MUUNZHRXSA-N 449.635 5.490 0 40 IKAB COc1cc(CCc2ccc(C3=Cc4ccccc4C4=NCCN34)cc2)cc(OC)c1OC 596647 FKRBSORUVOGNEK-UHFFFAOYSA-N 440.543 5.072 0 40 IKAB in-vivo Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(Br)cc1Br 668851 OYDMUBCHHIUAGA-JTQLQIEISA-N 447.554 5.579 0 40 IKAB Cn1ccnc1SCC(=O)N1c2ccccc2[C@](C)(c2ccc(Cl)cc2)CC1(C)C 847503 QSBMIVRKDIKZFV-DEOSSOPVSA-N 440.012 5.687 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)c1C 925196 HVOVOHOKUIMITR-UHFFFAOYSA-N 442.588 5.265 0 40 IKAB Cc1nn(C(=O)COc2ccc(F)cc2)c(C)c1Sc1ccc(Br)cc1 947651 WYWMPLCZWAEQCP-UHFFFAOYSA-N 435.318 5.272 0 40 IKAB CCc1nc(SCC(=O)c2cc(OC)ccc2OC)c2c3c(sc2n1)CCCC3 1223152 LYUDWQMFPHHWCV-UHFFFAOYSA-N 428.579 5.125 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)cc1F 1339140 MQKXLVZLELAECN-VWLOTQADSA-N 445.538 5.366 0 40 IKAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2F)c1Sc1ccc(Cl)cc1 1385347 QYUJTLGLLFDXKT-UHFFFAOYSA-N 447.816 5.774 0 40 IKAB CCCCOc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 1791025 VARBDXMNAXEDTL-UHFFFAOYSA-N 442.584 6.760 0 40 IKAB O=C(Nc1ccc(Br)cc1C(=O)c1ccccc1Cl)c1ccc(Cl)cc1 1883832 VORFTXUNXYVJSJ-UHFFFAOYSA-N 449.131 6.239 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 1922015 HRLKGLNWADHYFC-INIZCTEOSA-N 445.650 6.115 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCCC2 2085761 OOERUCUMUURVIS-UHFFFAOYSA-N 442.364 5.518 0 40 IKAB O=C(CSc1ccccc1)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 2141237 KSHJOXYBFQGFMR-SANMLTNESA-N 444.644 6.701 0 40 IKAB COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CCCCC4)cc1 2274477 WEWHRXXMDPHTKK-UHFFFAOYSA-N 428.623 5.863 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc4c(c3)OCO4)c-1cn2Cc1cccc(F)c1 2699125 HRHBEBCYWYXZDQ-UHFFFAOYSA-N 441.462 5.518 0 40 IKAB CCN(c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C1CCCCC1 2715131 WNORFCFCGNGMFV-UHFFFAOYSA-N 430.983 6.900 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2736209 RPPYDRCZSVNLED-CYBMUJFWSA-N 443.355 6.676 0 40 IKAB Cc1cccc(NC(=O)c2cc3nc(-c4ccc(Cl)s4)cc(C(F)(F)F)n3n2)n1 2772037 IYLADLBOWIDYSS-UHFFFAOYSA-N 437.834 5.086 0 40 IKAB CC(C)CN(CC(C)C)C(=S)Oc1cccc(C(=O)Nc2cccc3ccccc23)c1 3079492 TZIMFWFCEZWKDL-UHFFFAOYSA-N 434.605 6.370 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1sccc1OCc1c(Cl)cccc1Cl 3134818 IZXZFQKCLAQTTR-UHFFFAOYSA-N 447.170 7.193 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@H](c1ccccc1Cl)N(C)C(=O)c1ccccc1F 3147041 PDWJCJOHPZERNH-QHCPKHFHSA-N 438.930 5.802 0 40 IKAB O=C(Nc1ccccc1Cl)c1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 3214759 YUQIUXSQKYRVPB-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 6443552 NQGBKDGVSKKELW-GOSISDBHSA-N 447.629 5.536 0 40 IKAB COc1cc(CNc2ccc(N3CCCCC3)cc2)cc(Cl)c1OCc1cccs1 8442402 YMGZLLAIHJLXQR-UHFFFAOYSA-N 443.012 6.592 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)c1 8832438 WJELNCAJDUSEHC-INIZCTEOSA-N 442.625 5.447 0 40 IKAB CCN(CC)CCCn1cnc2c(c1=N)[C@@H](c1ccco1)c1ccc3ccccc3c1O2 8994115 MDOKIMLPQSILGN-JOCHJYFZSA-N 428.536 5.127 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2cccc(Br)c2)n1CCc1ccccc1 9191383 PDGXBUIURJBISY-BUHFOSPRSA-N 431.333 5.572 0 40 IKAB Clc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292730 XXRXIRGVKWETJT-TZIWHRDSSA-N 438.756 6.599 0 40 IKAB COc1ccc([C@H]2CC(C)=NN2c2nc(-c3cccc(Br)c3)cs2)cc1 9419304 FUZIPQILYVZHJI-LJQANCHMSA-N 428.355 5.909 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 9532649 WEODBWQETUQPSM-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB O=C(OCC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)c1cc2ccccc2o1 9534479 RPDFDCGVSIFDKI-INIZCTEOSA-N 436.514 5.091 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1Cl)oc1ccccc12 9632943 LITDAIWDNDKJBV-GFCCVEGCSA-N 441.842 5.571 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 9663904 GGGXVEOXRQNASH-HSZRJFAPSA-N 444.560 5.365 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 9882606 QGCGEAYWJLZLFT-GFCCVEGCSA-N 449.001 5.431 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(C)n3C3CCCCC3)cs2)cc1 9884323 USEAQRIKGQAOEK-UHFFFAOYSA-N 441.626 5.330 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3cccc(SC)c3)oc12 12437379 WQQVLJSKHGDYMT-VHXPQNKSSA-N 437.542 5.229 0 40 IKAB Fc1ccc(Cn2nnnc2[C@@H](c2ccc(F)cc2)N2CCCC3(CCCCC3)C2)cc1 12642005 BHNDLKRYZBPIJU-HSZRJFAPSA-N 437.538 5.135 0 40 IKAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@]5(CN(C)C6(CCN(C)CC6)O5)[C@@]4(C)CC[C@@H]32)C1 12661412 YKZPJVAZIXEHHB-KZPPUNKBSA-N 442.688 5.087 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 12748833 KMHPGBJNARJRJI-VWLOTQADSA-N 428.511 5.098 0 40 IKAB CC(=O)N[C@@H](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)c1ccc(Cl)cc1 12861213 DADHACSINYINTK-XUZZJYLKSA-N 438.980 5.143 0 40 IKAB Cc1ccc(-n2c(SCc3cn4cccc(C)c4n3)nc3ccccc3c2=O)cc1C 13109948 ZNJODLWKNVJIAM-UHFFFAOYSA-N 426.545 5.251 0 40 IKAB Cc1cc(OCCSc2nnc(-c3ccccc3Br)n2N)ccc1C(C)C 13133996 QBULGKDGPRXPFJ-UHFFFAOYSA-N 447.402 5.024 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)CSc2nc3cccnc3n2C2CCCCC2)c1 13512751 VCWSKDXHSMHVJF-UHFFFAOYSA-N 437.569 5.016 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ncoc2-c2ccccc2C(F)(F)F)CC1 13565448 XZJRRXKSJDWPLE-UHFFFAOYSA-N 449.860 5.285 0 40 IKAB O=C(c1ccc(SC(F)(F)F)cc1)N1CCCN(c2ccc(C(F)(F)F)cn2)CC1 14167385 UBSYNBFASAGLHT-UHFFFAOYSA-N 449.420 5.065 0 40 IKAB CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCc1cc(=O)c2ccccc2[nH]1 15865309 KMBJERDEJNZNAS-UHFFFAOYSA-N 448.592 5.308 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccccc4Br)c3)nc2c1 16610915 ZEDMHBFFLXTXHS-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 16776853 QEDGTXKZELZINV-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3O)nc2c1 17099500 KDOUWUAVFQLINK-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1Cl 17102820 VEUSKWZNAPGFIG-UHFFFAOYSA-N 438.914 7.376 0 40 IKAB O=C1C[C@@H](c2cccs2)Cc2nc(Nc3nc(-c4ccccc4)c4ccccc4n3)ncc21 17945779 UWDOKHQLXRZYTL-KRWDZBQOSA-N 449.539 5.805 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)Cc2ccc(OC)cc2)n1 19525541 PAYBIHDCDKQHTQ-JOCHJYFZSA-N 448.567 5.006 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 20105779 WPBLLGKGUZNFPG-YSRWDZFWSA-N 440.052 7.317 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 20451895 GCTWJSCXPUIBMF-MRXNPFEDSA-N 441.980 6.141 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 20490839 QNULUQVOXYZWDG-SQHAQQRYSA-N 444.600 5.384 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)cc3n2)cc1 20609968 POWWBKBHLQANNC-UHFFFAOYSA-N 428.879 5.895 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)s2)c1 22078983 WGJMQTJVRBTPQF-UHFFFAOYSA-N 425.366 5.628 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)c1nc(-c2cccs2)no1 26012984 UVNQHGBOCJCTPK-CYBMUJFWSA-N 427.555 6.008 0 40 IKAB CC(C)Cn1c(S[C@H](C)c2nc(-c3ccco3)no2)nc2ccc(Cl)cc2c1=O 29737740 JQPDVFFERJFNPU-GFCCVEGCSA-N 430.917 5.202 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 30848164 LMCUOOITBUPRAJ-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1ccc([C@H](NC(=O)COc2ccc(Br)cc2Cl)c2ccccc2)cc1 30871358 LVGVCBWORFMFHV-JOCHJYFZSA-N 444.756 5.696 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 32115217 MYYGONAPOGLODI-UHFFFAOYSA-N 428.822 6.077 0 40 IKAB CC(C)(C)Oc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 32115754 KFFQQIOYUWLFSH-UHFFFAOYSA-N 428.557 6.907 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(C)c(Br)c3)cs2)cc1 33326387 BRHZWCJQUAJSBJ-UHFFFAOYSA-N 431.355 5.283 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](COCc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1 33632660 FUCRZRBCVISSBV-SFHVURJKSA-N 439.339 5.042 0 40 IKAB Cc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)c(C)c1 35291235 HFTXXKHGWXBVBK-UHFFFAOYSA-N 432.568 5.761 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 36352264 IELBFTGGLDGNHY-NOZRDPDXSA-N 432.545 5.668 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1)c1ccccc1 38772598 FZSRNMGZBWYGEC-NRFANRHFSA-N 442.968 5.330 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(C)C)cc3)nc3ccsc3c2=O)c1 57487411 XVNICVXDCVHXFE-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccccc1C(F)(F)F)N1CCSCC1 72328508 BSNUEGCCRCUDED-UHFFFAOYSA-N 449.473 5.194 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3ccc(Nc4cnccn4)cn3)oc2c1C 72353137 QEZPXTFGJBXNCT-NRFANRHFSA-N 427.508 5.264 0 40 IKAB C[C@@]12C[C@H](c3ccccc3)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@]2(O)c1ccccc1 104155608 RYCCTEIDFGNPEH-ZOURVMAFSA-N 442.602 7.699 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)cc1C 107027100 SSQFVGPAVYOOPT-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222851132 HHWIRIYXRPKZGD-VQTJNVASSA-N 441.940 5.074 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223540143 ROYYEJRDHXQQBK-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1C 223945215 WRMZGWOQHMLHDC-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COc1ccccc1 224088422 VHWXZVHGWLNYBP-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N(C)Cc3ccccc3Cl)ccc2C)cc1 224101098 MAFKCEQUNFWLKB-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224179769 VCKJXSDFHTYWJM-UHFFFAOYSA-N 431.576 6.695 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)S(=O)(=O)c1ccccc1 224354738 IFBRSSHFEAMGDH-UHFFFAOYSA-N 430.529 5.307 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 224695749 RUGQKVQOXVDFOR-HSZRJFAPSA-N 442.603 5.461 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)c1 224905407 XVODNSCCSPYVBN-INIZCTEOSA-N 432.907 6.162 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(N3CCCC3)cc2)c(Br)c1 224919427 MYZXVDHJWWHAJI-UHFFFAOYSA-N 431.374 5.364 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cc(C)cc(C)c1 225129169 YEXHEDSNDUTZGT-SANMLTNESA-N 434.624 5.411 0 40 IKAB CC(C)Oc1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225346478 DNEFUHUPLUETLR-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225555854 IZAYCRINXFJAQE-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCCCCC1 225659523 NBGGAMZPVMUGDJ-FGZHOGPDSA-N 430.633 5.501 0 40 IKAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983881 KLINSAAVTLFZBS-UHFFFAOYSA-N 437.657 5.210 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4cccc5cnccc45)CC3)CCOCC2)cc1 257313552 UTCPGKOMQCIAHG-QHCPKHFHSA-N 442.603 5.463 0 40 IKAB CCOC(=O)c1c(NC(=O)/C(=C/c2ccc(OC)cc2)c2ccccc2)sc2c1CCC2 408563118 IUYXILWRSCRFBH-LTGZKZEYSA-N 447.556 5.601 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1C 408640609 JPTMZVCNCQQAIA-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-c2nnc(CN(C)C(=O)N3c4ccccc4Sc4ccccc43)o2)cc1 408714069 HVHIDIUTWNCGOJ-UHFFFAOYSA-N 428.517 5.900 0 40 IKAB O=C1c2cccc3c(NCCc4ccccc4)ccc(c23)C(=O)N1c1cccc(Cl)c1 408722654 VNGNOBCXURLBJX-UHFFFAOYSA-N 426.903 5.948 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OCC 408820573 YSKZVVTVPAHVFD-ATVHPVEESA-N 448.338 5.487 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)c(Cl)c1 408923809 GUSBOWKFLCJLPZ-UHFFFAOYSA-N 434.841 6.179 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4Cl)cc3)C(=O)O2)cc1 409009199 ZIZHCQNELSOEBP-HAHDFKILSA-N 433.891 5.662 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 409099660 RTCKBRMOMRMLTH-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Fc1ccccc1OCCn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 409196626 WYRVMHYIZVFPRO-UHFFFAOYSA-N 430.548 5.593 0 40 IKAB Cc1ccc(S[C@H](CS(=O)(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 409219550 NRGXAYYCBBWZKI-OAQYLSRUSA-N 437.413 6.609 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C\c3ccccc3Sc3ccc(Cl)cc3)C2=O)c1 409230216 XONRQAQSYGOKBB-STZFKDTASA-N 434.948 5.893 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3c(C)n(C)c4ccccc34)C2=O)c(C)c1 409373355 HSGAKTDWPRRQLE-CIAFOILYSA-N 447.560 5.087 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccccc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1 409382199 PVGKLLZJADWHLO-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C(O)c1cccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)c1 643576057 GQFYKLPONBPQCS-UHFFFAOYSA-N 443.547 5.147 0 40 IKAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)C(c3ccccc3)c3ccccc3)n2)c1 1848355706 IADZEADRDQHYGZ-SANMLTNESA-N 449.554 5.648 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@H]1C 824685 PIXNJRVXZQYFHN-KBMIEXCESA-N 446.522 5.514 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 892416 MINDJZRZEJEUSS-UHFFFAOYSA-N 431.517 5.414 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc2ccccc2o1 1265058 COFIPTLENOPRDQ-UHFFFAOYSA-N 433.455 5.179 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(Cc1ccco1)C(=O)c1cccs1 1333492 SGMLNLQJPMXZJE-QFIPXVFZSA-N 440.540 5.313 0 40 IKAB Cc1sc(NC2CCCC2)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 1354377 UDEMMCLTMQTZRI-UHFFFAOYSA-N 439.606 5.224 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2)nc2scc(-c3ccc(C)cc3)c2c1=O 1465550 YYMFVOVFCOOERB-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB COc1ccc(C[C@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@@H]23)CCCC5)cc1 1751998 XCUAPPLVYNFZIA-XUZZJYLKSA-N 430.573 5.052 0 40 IKAB CCc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1 1859687 BEUGGBKUOANZLW-MRXNPFEDSA-N 432.951 7.476 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1946247 FRPINBZZMRIMFW-CUXKMMBLSA-N 431.985 5.991 0 40 IKAB O=C(NCCSc1c(-c2ccc(Br)cc2)[nH]c2ccccc12)c1ccco1 2460176 GSBWZAJSSNUWNJ-UHFFFAOYSA-N 441.350 5.713 0 40 IKAB C[C@H](NC(=S)Nc1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1 2566999 JGWVBCLGDVDBLN-MRXNPFEDSA-N 446.896 6.324 0 40 IKAB O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccc(OCc2cccc(F)c2)cc1 2741826 WFAYQRFBYWEHMF-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 3012754 ABFDMKCHUPEWTK-RBUKOAKNSA-N 448.876 6.066 0 40 IKAB CCCCOc1ccc([C@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1 3100908 FLGCDOAHROWSES-VWLOTQADSA-N 437.967 6.954 0 40 IKAB Cc1oc2cc(OCc3cc(Cl)ccc3OC(F)F)ccc2c(=O)c1-c1ccccc1 3235042 BXLYSUHCHIOLBH-UHFFFAOYSA-N 442.845 6.602 0 40 IKAB C[C@@H](OC(=O)C1CCC(C(C)(C)C)CC1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3320450 IXDNOSXCPXZZKQ-IYXRBSQSSA-N 433.898 6.082 0 40 IKAB CN(C)c1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 3368875 RCECHAXAHKLJJJ-UHFFFAOYSA-N 434.428 5.691 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)c2c1C 3393730 MBCLYMXZCZIWEO-UHFFFAOYSA-N 448.545 5.441 0 40 IKAB CC(C)(C)c1ccc(Cn2c(CSc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 4110099 LHZROEZDRZDWCS-UHFFFAOYSA-N 449.019 6.688 0 40 IKAB CC(=O)C[C@@H](SCCSCCS[C@H](CC(C)=O)c1ccccc1)c1ccccc1 4352973 AOKADWHXGUNZMD-DNQXCXABSA-N 446.703 6.627 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)cc1C 8426095 ZCCUWIGJKKPOOS-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB O=C(c1ccccc1Cl)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 8431642 GBSAGACUTNJOCD-VGEDVAHYSA-N 426.947 6.777 0 40 IKAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Br)cc2)s1 8762402 RVMQKXWAPDSNFZ-UHFFFAOYSA-N 438.799 6.805 0 40 IKAB O=C(c1ccc(Br)cc1)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8869939 PUJIEUPROGCANC-QGZVFWFLSA-N 443.168 5.577 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 9041767 XSZDHVSPNKKBEJ-XCZPVHLTSA-N 442.559 6.507 0 40 IKAB Cc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)c1 9307312 BLAFGSIEANTDLR-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Oc4ccccc4)c3)C2=O)cc1 9311521 LKOXXXNPZCEGCB-PXLXIMEGSA-N 444.512 5.462 0 40 IKAB O=C(CSc1nnc2[nH]c3ccccc3n12)N1c2ccccc2Sc2ccccc21 9322515 WFLVYWMWUQFGFG-UHFFFAOYSA-N 429.530 5.132 0 40 IKAB Oc1ccc2ccccc2c1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1 9354593 OIDUONXNMSCLHN-UHFFFAOYSA-N 426.313 7.190 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(C(C)C)cc2)N1c1ccc(Cl)cc1 9446713 QSHVOCDTLBRJHZ-AREMUKBSSA-N 431.967 6.700 0 40 IKAB S=c1n(CN2CC[C@H](c3ccccc3)C2)nc(COc2ccccc2)n1-c1ccccc1 9614324 KXMAZWIKBGZDDL-QFIPXVFZSA-N 442.588 5.429 0 40 IKAB COc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccccc4)c3c2c1 9676144 ONTLDMZNKYNUEZ-UHFFFAOYSA-N 430.305 6.012 0 40 IKAB COc1ccc2cc(CN(C)C(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)ccc2c1 10024747 GFKHDBYEAOAGNE-UHFFFAOYSA-N 428.488 5.274 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccccc3Cl)c3ccccc3C2=O)cc1 12311942 FNQSDOODRZRIHC-HKWRFOASSA-N 446.890 5.157 0 40 IKAB COc1cccc(NCc2nnc(SCc3nccn3C(F)F)n2C2CCCCC2)c1 12530541 OYJXCOAWLOGEEM-UHFFFAOYSA-N 448.543 5.288 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N(Cc1ccccc1)Cc1ccco1 12533101 NHKHXZMPYMKOSB-UHFFFAOYSA-N 444.560 5.059 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2Br)cc1 12552484 YKRZADRNOLIJGM-UHFFFAOYSA-N 433.165 5.136 0 40 IKAB Cc1cc(NC(=O)CN[C@H](c2ccccc2)c2cc3ccccc3o2)n(-c2ccccc2)n1 12568006 BTSOAFJXOSDQIR-HHHXNRCGSA-N 436.515 5.245 0 40 IKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1cc(Br)ccc1F 12765153 JMWWVJWUKXLVSU-UHFFFAOYSA-N 443.320 5.134 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCCO5)cc3)o2)c1 12983577 AXSUGSWBDLFMJY-UHFFFAOYSA-N 427.460 5.126 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CSc1ncc(C(F)(F)F)cc1Cl 13141051 ZCOPKQBJZXBXBV-UHFFFAOYSA-N 440.878 5.287 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)Cc1ccc(-c2ccccc2)cc1 13148319 RSNXKSQXTDISSV-UHFFFAOYSA-N 448.588 5.018 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1F)C1CCCCC1)c1nnnn12 13568285 DKMFPIWRBYAEBF-UHFFFAOYSA-N 432.503 5.092 0 40 IKAB CCCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 13800521 JANMUDHLMUTNAY-LNVKXUELSA-N 431.399 6.410 0 40 IKAB CCSc1nnc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)s1 14237620 STSDFZRODXRTTM-UHFFFAOYSA-N 440.550 5.239 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c(Cl)c1 14272622 NGYGPUZVKIUMPU-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12 15880507 ISWFICMRPBGMKE-UHFFFAOYSA-N 431.444 5.156 0 40 IKAB biogenic Cc1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N1C(=O)c2cccc(Cl)c2C1=O 16282446 FNHNKYYMMHJCNI-UHFFFAOYSA-N 440.286 5.746 0 40 IKAB O=C(CSc1nccc2ccccc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 16476959 LNQLTBVBGFSDMB-UHFFFAOYSA-N 432.932 5.850 0 40 IKAB Cc1c(Cl)cccc1NCc1nn(CC(=O)c2ccccc2)c(=S)n1-c1ccccc1 16769526 VBWJGOLXFHBGMD-UHFFFAOYSA-N 448.979 5.860 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)Nc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 17095325 YBVIYPHVVCBOKB-UHFFFAOYSA-N 427.353 6.143 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)c1 17099831 JBHXTGQWNRMOHR-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCCCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@H]2c1ccc(Cl)cc1 17271126 ACHMVQJBMHDDAJ-QGZVFWFLSA-N 447.988 5.099 0 40 IKAB C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 22913654 MPNRDKGQWSVHOO-OAQYLSRUSA-N 426.604 6.033 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 23485355 YVBTXBWAFIJJDB-LJQANCHMSA-N 449.626 5.905 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 25748451 PYDHVUMPFVBVEX-NRFANRHFSA-N 429.608 5.738 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2ccc(C)c(C)c2)c2c[nH]c3ccccc23)cc1 27746261 YQTJHWKXMUROMK-XMMPIXPASA-N 428.532 5.120 0 40 IKAB O=C1CN(C(=O)c2ccc(Cl)cc2)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047990 RIIQKQSAPMBENG-OAQYLSRUSA-N 429.278 5.316 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29479302 DPTKYFCXXCQZBD-KRWDZBQOSA-N 426.563 5.319 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)c(Cl)c1 32116790 WMJOODGROLUZAX-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB Cc1cc(NC(=O)[C@@H](SCc2cc(-c3ccc(Cl)cc3)no2)c2ccccc2)no1 32779144 SBDZMNFFWMFRLT-NRFANRHFSA-N 439.924 5.905 0 40 IKAB O=C1S/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)C(=O)N1c1ccccc1 33757989 KIDCMGPKBUHXFX-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1-c1ccccc1C 35311906 BQCSFBWMKYHBGC-GOSISDBHSA-N 429.549 5.065 0 40 IKAB O=C(Nc1nc(SCc2ccc(F)cc2)ns1)Nc1ccccc1C(F)(F)F 35314240 OWMGBDSROWUGLO-UHFFFAOYSA-N 428.436 5.632 0 40 IKAB C=Cc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 36611581 UFZGEAKGPYDKMX-UHFFFAOYSA-N 439.773 7.869 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(Sc2nc(C)cc(C)n2)cc1 40039505 SILPGWNFMFNNLZ-QHCPKHFHSA-N 444.560 5.147 0 40 IKAB CCc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 40385035 VMFXCCXLLDNXPZ-UHFFFAOYSA-N 433.943 5.691 0 40 IKAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccccc2Cl)CC1 44851591 YWRDLUIRBZQIJS-UHFFFAOYSA-N 429.004 5.090 0 40 IKAB CC(=O)N(c1ccc(F)cc1)c1nc(CN(C)C(c2ccccc2)c2ccccc2)cs1 48303005 GWYUJTYPKXONLG-UHFFFAOYSA-N 445.563 6.188 0 40 IKAB Cc1oc(-c2ccc(OC(C)C)cc2)nc1Cn1ccn2nc(-c3cccs3)cc2c1=O 64775029 CABHCPLLZYESFG-UHFFFAOYSA-N 446.532 5.023 0 40 IKAB COc1ccc(CNC(=O)N(Cc2ccccc2C(F)(F)F)C2CCCC2)cc1OC 72275191 HRJNBHWRIIXCNE-UHFFFAOYSA-N 436.474 5.377 0 40 IKAB CCCOc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1 72328462 DHNSGUPUEQRDEN-UHFFFAOYSA-N 437.971 5.915 0 40 IKAB COc1ccc(C(=O)O)cc1NCc1c(OCc2cccc(C)c2)ccc2ccccc12 96184273 NRUQWCMNDJZJIZ-UHFFFAOYSA-N 427.500 6.046 0 40 IKAB COc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100817207 BCSMSLRKNSRDKN-JOCHJYFZSA-N 432.886 5.802 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccco1 102984726 RHAOXPWIIXEHJR-MYUZEXMDSA-N 444.531 7.003 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 222729981 SSDNENJNQBFRLA-LLVKDONJSA-N 448.177 5.006 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222956295 HTYDMXVCPDHRNB-SFTDATJTSA-N 445.419 5.952 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccccc3)CCCC2)c(Br)cc1Cl 223971113 WGGUSRJXSJDSGO-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cccc(Br)c3)ccc2OC)cc1 224265013 OKOBOHYMHKGBEK-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccccc1 224658220 RVRPQIURGWRIEX-KRWDZBQOSA-N 425.981 6.522 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@H](C)c3ccc(F)cc3)o2)c(OC)c1 224938979 GMIASEAYCNWTSF-MRXNPFEDSA-N 446.478 5.656 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225007779 ROATZHALIGLKBH-RBUKOAKNSA-N 447.044 5.544 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225346671 PMTIAJDYMNITIV-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 225537702 OCDPTJBDZMQZLP-FQEVSTJZSA-N 444.644 6.880 0 40 IKAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225833860 XBTKDSTWWAAAQQ-GOSISDBHSA-N 427.504 5.222 0 40 IKAB CNc1nc(-c2ccc(OC)c(NC(=O)C(c3ccccc3)c3ccccc3)c2)cs1 226092352 SBZDXCCNHKLCTG-UHFFFAOYSA-N 429.545 5.631 0 40 IKAB COc1ccc2[nH]cc(CCN[C@H]3CCN(Cc4ccccc4)C[C@H]3c3ccccc3)c2c1 245227398 LFBLAPKRGFZMMM-YTMVLYRLSA-N 439.603 5.367 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C1)CCCC2 257262291 LKWFAJIDDSUKFT-FQEVSTJZSA-N 446.570 5.311 0 40 IKAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccc(Cl)cc4)o3)cn12 257263907 LRYUSNVCDGLXEO-OAQYLSRUSA-N 434.927 5.242 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/[C@H](C)C(C)C)C1 257350520 YAXRKAKOIWXVHL-UGHAEFQRSA-N 440.712 7.982 0 40 IKAB CCc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)cc1 408578349 XRZZKGUBLGQTJR-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB CCc1cccc(CC)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408622405 PZSKYKDLHAPERW-UHFFFAOYSA-N 430.935 6.206 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2cccc(C)c2)cc1 408724137 GCXMYWQULKAUCQ-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB COc1ccc2c(Cl)c(C3=N/C(=C\c4ccc(C(C)C)cc4)C(=O)O3)sc2c1Cl 408969173 IOFHBUWMXPSMRP-GDNBJRDFSA-N 446.355 6.685 0 40 IKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccccc1Cl 408970457 IEQRCEQPBCFFKT-XGICHPGQSA-N 443.138 6.859 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)c2ccccc21 409109959 OOMUPSQYLGQEAV-JWGURIENSA-N 431.507 6.101 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 409133606 MOZVIOKINHVARE-QGZVFWFLSA-N 438.980 5.432 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1c1ccc(Cl)cc1 409166321 DMZRGECBMBUQPD-BOPFTXTBSA-N 443.684 5.460 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccccc2Cl)cc1 409171713 FQJLJYKRBWXJGQ-MHZLTWQESA-N 438.958 7.014 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409179015 MLDDSIWKFFJSKC-ZYAQVELZSA-N 442.990 7.197 0 40 IKAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(C)cc3)cc2)C1=O 409231544 LCKNTENXCANECY-SJPXOZHESA-N 427.547 5.134 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\NC(=O)N(Cc4ccccc4Cl)C3=O)cc2)cc1 409241998 ZSULIZDIFPLPPO-HMAPJEAMSA-N 434.948 5.893 0 40 IKAB COC(=O)c1ccc2cc(-c3ccc(OC)c(C45C[C@@H]6CC(C[C@H](C6)C4)[C@H]5O)c3)ccc2c1 618255058 DIAVPUQUVSPIMG-KVUREWOQSA-N 442.555 5.741 0 40 IKAB COc1ccccc1CC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575470 GDOBNOSXJVGXER-UHFFFAOYSA-N 446.547 5.407 0 40 IKAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c1C 682526 VCSSSCRVNILVPP-LBPRGKRZSA-N 427.136 5.234 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccc(Br)cc32)ccc1OCc1ccccc1 684407 SHKNYOUQAKUGJB-ODLFYWEKSA-N 436.305 5.529 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 796436 IYENDCKUEWENKR-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc(C(C)(C)C)cc3)c3ccccc32)c1 990103 CODZHMLOJFTAFM-LJAQVGFWSA-N 441.571 5.608 0 40 IKAB Cc1c(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)oc2ccccc12 1413843 RUVOTHRZGZSYSK-UHFFFAOYSA-N 445.475 5.815 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1sc2ccccc2c1Cl 1747309 PXFNJASUYGAWJS-UHFFFAOYSA-N 439.323 7.269 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(-c2ccccc2)cc1)c1cccnc1 2191532 SWJRWPOBOGJNAR-UHFFFAOYSA-N 434.417 6.812 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1O 2329196 JXMKSHHMGWUGOP-UHFFFAOYSA-N 446.322 5.312 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(c1nccs1)C3=O 2404428 QWMRZTMWVPPNHB-KRWDZBQOSA-N 443.311 5.615 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)c(Cl)c2)sc2c1CCCCC2 2752780 JRSCQLSAFHSFPT-UHFFFAOYSA-N 426.365 6.143 0 40 IKAB COC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1c(C)ccc(C)c1C 2889794 ZPIDLBVTDBCUSR-UHFFFAOYSA-N 443.952 5.798 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1sc2cc(F)ccc2c1Cl 3260353 WHKTZAMRFRVZFS-UHFFFAOYSA-N 442.968 6.948 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3[nH]c(=S)n(CCc4ccc(F)cc4)c(=O)c23)C1 3317392 XWHNVMALEIODMN-OAHLLOKOSA-N 430.614 6.043 0 40 IKAB O=C(C1CCN(Cc2cccc(Oc3ccccc3)c2)CC1)N1CCc2ccccc2C1 4689704 DJYMELAHZNPNKP-UHFFFAOYSA-N 426.560 5.276 0 40 IKAB COc1cc2c(cc1OC)[C@@H]1CCCC[C@@H]1O[C@H]2c1ccc2c(c1)c1ccccc1n2C 4710776 DWQSSIFTRHQFQG-TVIOGVOPSA-N 427.544 6.495 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)c1 8752975 IOXCBEIXAFRUCY-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(Sc2c(C)nn(C(C)(C)C)c2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9414983 OVSHHFQRTYTHRB-UHFFFAOYSA-N 438.637 6.528 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c1)c1cccs1 9514859 YIOTZMKEVLNJPS-GOSISDBHSA-N 433.558 5.587 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1C1CC1 9593620 YFHWXOYFIGLBJE-IBGZPJMESA-N 442.972 5.310 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(SC(C)C)cc1 9620397 CXOSCXDMLYETEH-UHFFFAOYSA-N 425.575 6.345 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)NCc1ccc(-c2ccc(Cl)cc2)o1 9634638 RTDXBFRHCFCVRE-UHFFFAOYSA-N 431.945 5.439 0 40 IKAB COc1cc2ncc3c(-c4ccc(F)cc4)nn(-c4ccc(Cl)cc4)c3c2cc1OC 9675976 MABPRJNZQDAKOF-UHFFFAOYSA-N 433.870 6.050 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Cl)cc2Cl)c(Cl)c1 9763383 WFIQFYFHDYBNDU-MFOYZWKCSA-N 430.718 6.719 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)c3nnc(-c4cccs4)o3)nnc2N2CCCC2)cc1 9864528 UNJSVCJFJWOKLP-HNNXBMFYSA-N 438.582 5.141 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c(C)c1 10112471 KWYHCGCJKDRKRO-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)c3ccc(NC(=O)C4CC4)s3)n2)c1C 10189582 OFVWCOXZMROXDZ-UHFFFAOYSA-N 428.583 5.301 0 40 IKAB O=C(Nc1cccc(OCCc2ccccc2)c1)c1cccc(OCCc2ccccc2)c1 10470860 UDDNZEPQJKLQON-UHFFFAOYSA-N 437.539 6.182 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 11117372 KBYBMTNELLFQAM-NHCUHLMSSA-N 427.957 5.165 0 40 IKAB CC(C)Oc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3cccc4ccccc34)=NN21 12192457 NIFJYAHTPLYRHT-GGXMVOPNSA-N 434.539 6.869 0 40 IKAB O=C(Oc1ccc2nc(N3CCCCC3)sc2c1)c1ccc(C(=O)c2ccccc2)cc1 12488763 DBXOPOFPPKEFRY-UHFFFAOYSA-N 442.540 5.737 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)c2cc(C3CC3)nc3ccccc23)cc1 12688479 OKTSQHASLCUWHE-UHFFFAOYSA-N 437.499 5.625 0 40 IKAB CCOc1ccc(NC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 12878231 MWHFHJXROGFJSO-UHFFFAOYSA-N 442.972 5.216 0 40 IKAB CC1CCN([C@@H](CNC(=O)Cc2csc(-c3cccs3)n2)c2cccs2)CC1 12973013 LVAGBMCGEBKSKG-KRWDZBQOSA-N 431.652 5.065 0 40 IKAB COc1cccc(-c2nc(C(=O)Nc3ccccc3OCC(F)(F)F)cs2)c1OC 13007342 KFOWYINSXIEOLH-UHFFFAOYSA-N 438.427 5.021 0 40 IKAB Cc1cc(NC(=O)c2cccc(Oc3ccc(Cl)cc3)n2)n(-c2ccc(Cl)cc2)n1 13015751 LFOYTUHCWGWVPS-UHFFFAOYSA-N 439.302 5.927 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc([C@@H](C)Oc2ccc(F)cc2)o1 13113072 JRYOGFZPJRKEDU-KGLIPLIRSA-N 425.485 5.502 0 40 IKAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 13132407 ODXMXNAZUSNTCA-UTKZUKDTSA-N 429.586 5.533 0 40 IKAB Cc1sc2ncnc(SCC(=O)N(C)[C@@H](C)c3nc4ccccc4s3)c2c1C 13164257 DYDOLDRNIFSJCN-LBPRGKRZSA-N 428.608 5.230 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)o2)c2ccccc2S1 13164300 WGYLLOUUHYGHHI-CQSZACIVSA-N 436.562 5.228 0 40 IKAB c1ccc(C(CCN2CCC[C@@]3(C2)Nc2ccccc2-n2cccc23)c2ccccc2)cc1 13564193 COJUZJPGFKPJMQ-PMERELPUSA-N 433.599 6.416 0 40 IKAB O=C1C[C@H](c2ccco2)Cc2nc3nc(SCc4cccc5ccccc45)nn3cc21 13634345 BUKINVRCMYLRJM-QGZVFWFLSA-N 426.501 5.076 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)cc1 13777687 JAOYOUSNBVRZMF-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB CC(=O)Nc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 13942945 RLPOFYORCNFPIE-UHFFFAOYSA-N 438.483 5.208 0 40 IKAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14022917 OCGLDTBMLCEDND-AREMUKBSSA-N 428.576 5.086 0 40 IKAB CCN(Cc1ccc(OCc2ccccc2)cc1)C(=O)c1ccc(N2CCCC2=O)cc1 14128600 QXKZCPNAPSIFKB-UHFFFAOYSA-N 428.532 5.055 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc2c(Cl)cccc12 14272742 OEHSSJVNSGXNSA-UHFFFAOYSA-N 447.325 6.441 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)sc2c1CCCCC2 14273356 RUVZUPOLBIMCGV-UHFFFAOYSA-N 449.359 5.935 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C[C@H]3CNCC[C@H]3CC(=O)NCc3ccccc3)no2)cc1 15673706 MIUYQMSFKOBPSX-GOTSBHOMSA-N 445.607 5.114 0 40 IKAB biogenic,in-vitro CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1ccc2ccccc2n1 15980245 WWJQDFHFXOTDDC-UHFFFAOYSA-N 448.569 5.871 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2ccccc2)oc1NCc1ccccc1Cl 16753246 FQSHVRZGOLTCAO-UHFFFAOYSA-N 434.860 5.422 0 40 IKAB CCC(=O)N1N=C(c2ccc(C)cc2)Sc2c1nc(COc1ccccc1)n2C(=O)CC 16777612 VQEDOLBWSYTANS-UHFFFAOYSA-N 448.548 5.031 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1C 17097388 CVDLWCAHVJSPQX-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1Cl 17098304 JUWCKHBMFJOZTL-UHFFFAOYSA-N 433.257 5.873 0 40 IKAB c1coc(CN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)c1 19899443 FMGOGMHYXJFVGC-UHFFFAOYSA-N 433.562 5.200 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20048219 GBCKROWIAYHNQO-JOCHJYFZSA-N 448.415 6.354 0 40 IKAB O=C(c1ccc(Cl)cc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCC2 20152272 NAZBDLKMMWELQD-UHFFFAOYSA-N 447.785 5.645 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 20457099 UHKUGHTXKIJLMF-QHCPKHFHSA-N 438.574 5.418 0 40 IKAB Cc1ccc([C@@H](NC(=O)COc2ccc(Cl)cc2Br)c2ccccc2)cc1 20481815 QKUABDZECDRJGQ-QFIPXVFZSA-N 444.756 5.696 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(C(C)C)cc4)ccc32)cc1 20766019 ZYSFSTTZIXQQQG-UHFFFAOYSA-N 448.588 5.512 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(Cl)c2)cc1 20970098 DNMHBFVQWCCUMV-XMMPIXPASA-N 442.950 6.180 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2F)c2ccccc2)c1C 26770808 BGPTYQGNTLXTQQ-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(Cl)c2)c2ccccn2)c1C 26770915 YGYZFAQLOKICBO-QHCPKHFHSA-N 447.991 6.867 0 40 IKAB CCN(C(=O)COc1ccc(F)cc1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991248 YKKJKHJPVDFMCY-SANMLTNESA-N 432.495 5.333 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2cc(Cl)ccc12)N1CCC[C@@H](c2nc3ccccc3s2)C1 31816163 YPUKXAKWKIWYMT-ZUOKHONESA-N 425.941 5.436 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCCCC1 35478603 FOBIHPYLMGVPEL-UHFFFAOYSA-N 428.305 5.506 0 40 IKAB CC(C)(C)c1nn(-c2ccc(Cl)cc2)c2[nH]c(=O)c(CNc3ccc(Cl)cc3)cc12 35533887 IBRSOCJIXXQVRG-UHFFFAOYSA-N 441.362 5.930 0 40 IKAB O=C1O[C@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 38601565 QARHRYVEXSEWAF-FQKQOIFNSA-N 425.915 6.903 0 40 IKAB in-vitro CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1c1ccccc1C 58161651 GNFDMDYOOFOFTA-VWLOTQADSA-N 449.554 5.900 0 40 IKAB Cc1ccc(OCc2nnc(SCc3c[nH]c4ccccc34)n2-c2ccccc2)cc1C 59472541 BSHATLGXQAMVJU-UHFFFAOYSA-N 440.572 6.237 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 80679655 PECVQXJSAFWCOS-WFRQTHGZSA-N 446.716 6.822 0 40 IKAB biogenic CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1cccc(F)c1 101433461 VJHKNBKSARUQMQ-KMRXNPHXSA-N 440.518 6.704 0 40 IKAB Clc1ccc(COc2ccccc2CNc2ccc(Cl)c(Cl)c2)c(Cl)c1 107040953 FQHSELYMZQUKSZ-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1c(F)cccc1Cl 215739934 ILPXFOPBVQNJOX-NTCAYCPXSA-N 430.266 5.188 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223754144 WCIOTFHBNHQZRV-GOSISDBHSA-N 429.004 5.124 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 223992852 AVHJBPIJSCEZHF-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224008428 QJYUNTAHWHUCKY-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)c1 224289962 AUFQBFIHBYWUKP-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224311427 BLXHQHAQFQGBMC-DQEYMECFSA-N 442.563 5.805 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccccc2)cc1 224448021 YDOOIMDIAFZURG-UHFFFAOYSA-N 436.577 5.021 0 40 IKAB CCOC(=O)C1CCN(C(=O)c2ccc(OCC)c(CSc3ccc(C)cc3)c2)CC1 224665781 MJEXORNLHPKWPF-UHFFFAOYSA-N 441.593 5.101 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224842941 NGMZQNANFZCNIG-HXUWFJFHSA-N 438.587 5.187 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1 224895859 CIHOPQGWEGSHAV-UHFFFAOYSA-N 440.499 6.218 0 40 IKAB CCN(c1cc(C(F)(F)F)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1 224964317 SWRPHFBWDSIZIJ-UHFFFAOYSA-N 428.259 5.236 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1 225266542 BRLGIPGGFGNCAM-UHFFFAOYSA-N 426.701 5.898 0 40 IKAB Cc1cc(NC(=S)N[C@H](c2ccccc2)c2ccccc2C)ccc1Br 225504432 KQDGWYVVXXMCLX-OAQYLSRUSA-N 425.395 6.142 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225624358 ZELCLQUDJYOVQH-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccccc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495354 GCLTXTVXGOMTNM-QYKSBEKUSA-N 438.696 6.780 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3[nH]nc4c3CCCCC4)C2)n1 257247329 IYMQKIVZNKMYGL-LJQANCHMSA-N 432.543 5.208 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccc(Cc2ccc(Cl)cc2)cn1 257301554 RYYMAOCGQAWPMV-AREMUKBSSA-N 443.978 6.103 0 40 IKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C/CCCC(=O)NCc1ccc(O)c(OC)c1 299888624 QVLMCRFQGHWOPM-XQZPKBTBSA-N 439.640 7.163 0 40 IKAB O=C1CS[C@@H](c2ccccc2OCc2cccc3ccccc23)N1c1ccc(Cl)cc1 408555419 FXQRTQMBYUDABG-SANMLTNESA-N 445.971 6.851 0 40 IKAB CCOC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCC2 408564210 SXQLLNSQYWNDHI-UHFFFAOYSA-N 427.950 5.078 0 40 IKAB O=C(O)/C(=C/c1ccc(Cl)cc1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408633574 KPUVBSCEPXQXRU-AUWJEWJLSA-N 426.712 5.650 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408880692 IBRBSMPQRNIODQ-UHFFFAOYSA-N 433.983 5.219 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3C=C(c4ccc(Cl)cc4)N=C4N=CNN43)cc2)cc1 409059949 ZCEOIHBYPLFCJS-DEOSSOPVSA-N 428.923 5.528 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409112131 KGYHHRFHPXAPPG-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1C 409375910 QSLWLZMKOMSWRM-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1Cc1ccccc1 585264922 BRXLSNJEXJLIRO-UHFFFAOYSA-N 429.903 6.270 0 40 IKAB CCCOc1ccc(OC)cc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2)n1 585265756 QQOXRNVDVJMUPJ-UHFFFAOYSA-N 427.884 5.477 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@H]2C3(Cl)Cl)cc1OC 727447 OJWHSJIOGRNFJA-ZRBLBEILSA-N 427.327 5.927 0 40 IKAB Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCCCC3 1248571 SLNXLPZSCSDCDA-UHFFFAOYSA-N 433.602 6.437 0 40 IKAB O=c1ccc(-c2nc3cc(Cl)c(Cl)cc3n2Cc2cccc(C(F)(F)F)c2)c[nH]1 1382113 YBIBZOCHPBQBQT-UHFFFAOYSA-N 438.236 5.766 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccccc2Cl)n1 1392270 AQZQJKUDEDUSAT-UHFFFAOYSA-N 425.362 5.217 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2C)c1 2056997 XLQVPLQCSSEKCN-UHFFFAOYSA-N 430.573 6.721 0 40 IKAB CC[C@@H](OC(=O)c1ccc2nc3c(nc2c1)-c1cccc2cccc-3c12)C(=O)c1ccccc1 2079099 RSVOQIDDRQYZPN-XMMPIXPASA-N 444.490 6.249 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1cccc(F)c1 2219624 LHUVLFOXUGTVMB-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB CC(C)(C)c1cc(-c2csc(-c3cc(Cl)nc(Cl)c3)n2)cc(C(C)(C)C)c1O 2383520 LTZBRIHKUYIUQC-UHFFFAOYSA-N 435.420 7.480 0 40 IKAB CCCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)CO[C@](C)(CC)C3 2419053 REESQEDXJDWUTB-JOCHJYFZSA-N 436.691 5.579 0 40 IKAB O=c1c2c(nc(SCc3ccc(Br)cc3)n1-c1ccc(F)cc1)CCS2 2719973 RTVVFBGWAUKVEC-UHFFFAOYSA-N 449.370 5.075 0 40 IKAB O=C(CSc1ncnc2c1oc1ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 2722790 JMDUHBPLTPNCRP-UHFFFAOYSA-N 437.830 5.779 0 40 IKAB Cc1ccccc1-n1c(S)nnc1-c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)F 2791087 WOUVXPUBOWHFTO-SJLPKXTDSA-N 438.507 5.091 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 3266730 WMQSSVRCVHQLSW-AWEZNQCLSA-N 442.566 5.002 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 3360008 AEKDGKFUGQJZMW-UHFFFAOYSA-N 433.722 6.080 0 40 IKAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1 3417614 OPWXIOVVVHAFLO-IBGZPJMESA-N 447.556 5.148 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)cc1OC 4342394 IJVKKZMKSPWBTB-WYMLVPIESA-N 429.586 5.815 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(OC)cc32)cc1 6600811 SAGSXSHRICJYFY-UHFFFAOYSA-N 427.548 5.825 0 40 IKAB COc1ccccc1NC(=O)c1ccc(CSc2nnc3c(n2)[nH]c2ccccc23)cc1 8385400 CIPQPOXEZJUEDB-UHFFFAOYSA-N 441.516 5.059 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 8768892 QNSIWIBYBQXTLA-OAHLLOKOSA-N 438.980 5.960 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(OC)c(Cl)c4)nc3c2)cc1 8830822 AMZBBZKIZYSTOS-UHFFFAOYSA-N 436.899 5.124 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 8832659 JCVGZMXSKJKVCP-UHFFFAOYSA-N 444.362 5.648 0 40 IKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)COc1ccc(C)cc1C(C)(C)C 8844216 MJMLLXMRCLDLJR-UHFFFAOYSA-N 443.590 5.887 0 40 IKAB Brc1cc(Br)c2nc(-c3ccc(C4CCCCC4)cc3)ccc2c1 8857371 YPBUXYZTTQJKBL-UHFFFAOYSA-N 445.198 7.475 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(-c3csc(C)n3)s2)no1 8901539 LAOHOWSSTGTPBE-UHFFFAOYSA-N 442.591 5.094 0 40 IKAB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 9085907 IXLFEJRZOYVRRZ-AZGAKELHSA-N 432.951 6.761 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1 9158274 ARXVVWFRTPQISB-HSZRJFAPSA-N 433.548 5.451 0 40 IKAB COc1ccc(/C=C/C2=NN(c3ccccc3)[C@H](c3ccc(OC)c(OC)c3)C2)cc1OC 9329927 QJOKBYMXIDKURG-YYVWFHOOSA-N 444.531 5.742 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 9355581 LPDDPIWNFLHFSN-GDLZYMKVSA-N 444.534 6.589 0 40 IKAB COc1cccc2c1OC1(CCC(C(C)(C)C)CC1)N1N=C(c3ccccc3Cl)C[C@@H]21 9379892 LGTRJSDIFMJKMV-ITRMUVNCSA-N 438.999 6.825 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N[C@]23Oc2ccccc2[C@@H]2CC(c4ccccc4)=NN23)cc1 9427562 SDFVAJIAKRPUBW-QNIXBDOOSA-N 439.540 5.690 0 40 IKAB Cc1ccc(NCc2ccc(N3N=C(c4ccccc4)C(C)(C)[C@@H]3c3ccccc3)cc2)cc1 9428741 VWTVAEFCSNNANY-PMERELPUSA-N 445.610 7.599 0 40 IKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 9500494 FRHIOIXIMZSXKW-HNNXBMFYSA-N 427.957 5.517 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)N2CCCC[C@H]2C)nnc1-c1c[nH]c2ccccc12 9562914 JGJQDHWEHOWGRI-GOSISDBHSA-N 445.592 5.217 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1cccc2ccccc12 9678921 VRQZGWMVQVCPBU-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1CCc2ccccc21 9782238 BVOOAESDMKPQGV-UHFFFAOYSA-N 436.511 5.369 0 40 IKAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9963845 DYMVSNSIRYRSKL-PKOBYXMFSA-N 449.620 5.118 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4Cl)cc3)oc2c1 10035206 ILEUUDPOWKEXCL-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cc(Cl)cc(Cl)c1 10315242 JCWJROIDBCFXTQ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1ccc(CN2CCCCC2)cc1 10324157 XWTJLPUWUHWKEP-UHFFFAOYSA-N 432.951 5.809 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1 10333643 BVVLXOYDYBBDEM-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1NS(=O)(=O)c1ccccc1 10370933 RCXXBSHGEFIKIH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(Cl)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 12195678 QHLFBLZCLTWWCE-RCZVLFRGSA-N 434.923 5.990 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 12195814 NDOHUDLCAOTDRY-ISKFKSNPSA-N 436.964 6.313 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)Nc4ccccc4C)c(N)c23)cc1 12249995 KEUNFEKBCOCTMP-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB CCc1cc2cc3c(cc2nc1Sc1nc2cc4c(cc2cc1CC)OCO4)OCO3 12644961 KBHSKSIOUGWAHP-UHFFFAOYSA-N 432.501 5.516 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ccccc1C(=O)Nc1cccc(F)c1 12739075 XBISGRWRNFZDND-UHFFFAOYSA-N 431.492 5.383 0 40 IKAB CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(OC)c3ccccc23)CC1)c1ccc(C)cc1 12743644 ZQPHXLWSKNEMDJ-RUZDIDTESA-N 444.575 5.277 0 40 IKAB O=C(CCCc1cccs1)N[C@@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12814769 OZMVWVFRYIMMFX-NRFANRHFSA-N 443.494 5.872 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1)c1ccc(C)cc1C 12854014 IWZJTFGXQXAZII-UHFFFAOYSA-N 439.610 5.541 0 40 IKAB COc1ccc(-c2nc(CC(=O)N3CCC[C@H]3c3nc4ccccc4s3)cs2)cc1 13118009 KNSURFJKIIGUDS-IBGZPJMESA-N 435.574 5.335 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 13564336 KGRKYBHFYUZFSL-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631207 DRNFUVLRCUVCTH-UHFFFAOYSA-N 430.548 5.573 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCc2sccc2C1 14265714 LMWCMHJOUUHLTI-UHFFFAOYSA-N 441.578 5.236 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 15473439 JETXTENPJLGLOB-UHFFFAOYSA-N 430.426 5.293 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1C(/C=C/c2ccc(Cl)cc2)=N[C@@H]2CCCC[C@H]21 15906254 ZSRUAOVZKYBDSK-MFADNZCCSA-N 425.359 6.272 0 40 IKAB O=C(CSc1ncc(-c2cccc(Cl)c2)o1)Nc1ccc(Br)cc1F 16841009 SMBRSMBQGMTERB-UHFFFAOYSA-N 441.709 5.627 0 40 IKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)CCC4CCCCC4)cc3)n2)cc1 17042747 UWBAFKCZJDKYEK-UHFFFAOYSA-N 443.595 6.880 0 40 IKAB COc1ccc(Br)cc1[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 17083546 LRJUYPMKLYBAOY-ZMZPIMSZSA-N 449.414 5.524 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3O)nc2c1 17099498 YGTAXBGQIVZGOV-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB Cc1ccc2oc(CN3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)c(C)c2c1 19220505 ZNZQAZSAOJYLLX-NBGIEHNGSA-N 433.596 5.560 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(OCC)cc1 19629757 OWEYSDSAKRHCRB-VWLOTQADSA-N 439.515 5.424 0 40 IKAB CCc1ccccc1O[C@@H](C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 19932234 MOSULTGHWTUDOR-IBGZPJMESA-N 429.560 6.184 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl 20142550 LTSBVHXAVUUTDP-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc2ccccc12 20152234 HPPYFZPIJSFPQX-UHFFFAOYSA-N 436.920 5.372 0 40 IKAB CCOc1cc(CNC2CCCCCCC2)cc(Br)c1OCc1ccccc1 22076301 PKJJGBPRSLGJQA-UHFFFAOYSA-N 446.429 6.629 0 40 IKAB Cc1ccccc1-c1ccc(N2CCC[C@@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 22486038 YKWAPPZIKSOZKH-MRXNPFEDSA-N 441.362 5.614 0 40 IKAB COc1ccc(CNc2c(S(=O)(=O)c3ccc(C)cc3)cnc3ccc(C)cc23)cc1 23109793 RHGDTRWEASTRIV-UHFFFAOYSA-N 432.545 5.305 0 40 IKAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2SC[C@H]2CCCO2)cs1 26884531 OCTZDAYDMRQWSA-LJQANCHMSA-N 436.602 5.593 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC 30758404 PPNYKFVZKIPFHM-LJQANCHMSA-N 430.548 5.148 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 30938717 JNUBVLACMAWUMH-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3C)c(Br)c2)cc1 33493062 UYTKGJVLQPVRPB-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 35107920 SGSZYANGBUENIK-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB COc1cc(OC)c(NC(=O)c2c(-n3cccc3)sc3c2CCSC3)cc1Cl 36790556 OGJDGOFURGFMRN-UHFFFAOYSA-N 434.970 5.251 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccco1 39844011 QHFBPWVIYRGMKM-UHFFFAOYSA-N 432.860 5.172 0 40 IKAB Cc1ccc2c(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c[nH]c2c1 40566536 AZYYHRQGDYITPE-RUZDIDTESA-N 440.499 5.011 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)c(-c2nc3ccccc3[nH]2)c1 59477556 IQUKTUGQHJSOJX-NTCAYCPXSA-N 439.902 6.795 0 40 IKAB Clc1cccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)c1 72332599 DPXBDBBIJFLINC-UNMCSNQZSA-N 439.740 6.345 0 40 IKAB COc1ccc(-c2c(C(=O)Nc3ccccc3)c(C)nc3c2c(C)nn3-c2ccccc2)cc1 72332713 DEPFYXJUAULOPO-UHFFFAOYSA-N 448.526 5.965 0 40 IKAB O=C(N[C@@H](N1c2ccccc2Sc2ccccc21)C(Cl)(Cl)Cl)c1ccccc1 72414144 XCMLXJLDFPHQDC-FQEVSTJZSA-N 449.790 6.416 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 100098685 GJAOEHUVPAJIOT-OTLGMJNYSA-N 446.591 5.106 0 40 IKAB COc1cc2nc(SCc3ccc(F)cc3)n(Cc3cccs3)c(=N)c2cc1OC 100330593 KRNOBUVQBORWEP-UHFFFAOYSA-N 441.553 5.074 0 40 IKAB aggregator Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(C(C)(C)C)cc4)[C@@H]3C2=O)c1 101147560 LDNOEDBPXLUFCK-SDHOMARFSA-N 440.543 5.344 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)CC(c3ccccc3)=Nc3ccccc32)cc1 101354166 GOIAHHUPSCFHRJ-UHFFFAOYSA-N 425.532 5.525 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccccc4Cl)C3=C(O)C2)cc1OC 102677898 BLNRWUQIUHBDEJ-RCDICMHDSA-N 436.899 5.014 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 106703448 IFNRWIXRZODXCS-UCQKPKSFSA-N 449.959 6.464 0 40 IKAB CC(=O)O[C@@]12CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@@H](O)C2 123246604 HBEWKQFSPOXTPI-DAECALLPSA-N 446.716 7.154 0 40 IKAB COc1ccc(OC[C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219843016 HOEBKMWZBSDSGS-QGZVFWFLSA-N 425.912 5.125 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 223068475 PAOYHAJZDHVWJV-LOSJGSFVSA-N 442.588 5.035 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223107188 DRBWDMMSPVUEHE-DQEYMECFSA-N 445.636 5.244 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223162068 IFKPJPDGDWHZLQ-DEOSSOPVSA-N 436.640 5.639 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 223314299 YIEBMLHQBRORMD-WNCULLNHSA-N 442.603 5.092 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 223457290 GBUOEEQGWLECOW-RPBOFIJWSA-N 445.636 5.573 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223954176 DWBJKNGQZBBIAO-KRWDZBQOSA-N 433.986 5.588 0 40 IKAB Cc1ccc(C(=O)NC2CCCCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224054803 LNZCRROOZQHCMV-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 224437073 AKCQCKVUSNYDSW-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 224539483 VOUGBNMCILINPF-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224551482 MGWOPLDHRISUOI-UHFFFAOYSA-N 437.539 6.261 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)ccc1F 224905808 VSDIARPTOXWWRV-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)NCCSCc1c(Cl)cccc1Cl 225349334 LKJWRQQEWULABN-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 225632378 PTIMXNSWRWDAFN-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)ccc1Cl 225679578 YPVQJYDAHLKGQI-SFHVURJKSA-N 432.973 5.414 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(N2CCc3sccc3C2)CC1 225688964 SADNZVVNMPDTOQ-UHFFFAOYSA-N 441.984 5.028 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc3c2CCCC3)c1 225809130 ZKPAWCIGFTTXDO-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc(-c4ccc(F)cc4)o3)nn12 227143745 JASWCRYDPSVSAQ-ZRDIBKRKSA-N 442.479 5.378 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 227620742 FTGWMAWRYWOGKN-KWKXUMAYSA-N 430.498 6.514 0 40 IKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)O)cccc2[C@H]2[C@H]3CC[C@@H](C3)[C@@H]21 250408017 SPTILVJSMGMUBZ-XQETZBNGSA-N 428.326 5.452 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 253617046 IVXHYDUXTYURSY-AYSPJNHFSA-N 446.553 6.383 0 40 IKAB O=C(c1ccnc(Cc2ccccc2)c1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257222797 DUSIWVQTDZMPOL-SANMLTNESA-N 437.543 5.619 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257282586 OUJUNOARMRDOBZ-OAQYLSRUSA-N 448.548 5.167 0 40 IKAB COc1cc(C(=S)NCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 408573699 JWXOVEADEZZDOK-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(=S)N[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 408603369 GDMSQUZODWOHIH-OAQYLSRUSA-N 438.936 5.093 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408694267 ICHLJXRJIUKZKS-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)cc1C 408696959 CSZCVAYMDHPRHK-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c1 408698838 PYYJUMJPLLMVHP-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)cc2-c2cccc3ccccc23)cc1 408724244 ITQDAKWJAQMGTL-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCCCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)cc1OC 408803522 QAMRTWDAKGDYCZ-UHFFFAOYSA-N 447.964 5.299 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2Cl)C1=O 408813342 PHRVNJRHHVMULF-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)cc1 409098992 NFAYQDUPLSIYPN-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1C 409106014 PXUMWFNSMPEMAW-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409178750 HYEYMLHQFXWDLR-ZPTXYVIGSA-N 442.990 7.197 0 40 IKAB CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 649323 MBARFYJDABALTC-UHFFFAOYSA-N 444.004 5.220 0 40 IKAB O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 674982 VVYCOCZXWXVGDJ-SJLPKXTDSA-N 434.849 5.127 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccc2c(Br)cccc12 834911 YUGLHKLTDNFRLM-UHFFFAOYSA-N 443.304 5.589 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2CCc2ccccc2)cc1 890265 IJPOVEABHMIJFB-LJQANCHMSA-N 443.576 5.011 0 40 IKAB CC(C)(C)CC(=O)N1CCc2cc(-c3csc(NC(=O)CNc4ccccc4)n3)ccc21 1355424 IIPIGCPHCUYOAS-UHFFFAOYSA-N 448.592 5.186 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O 1371171 JPUJELAOPUSHEK-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 1378197 GAMWTAKSLMJLMT-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 2054649 VPQLRIJOOHBXQR-KRWDZBQOSA-N 434.194 6.176 0 40 IKAB Cc1ccccc1NC(=O)c1cccc(NC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c1 2079047 WTCQBZBCBCSOAO-UHFFFAOYSA-N 442.603 7.095 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C)cc2Cl)cc1 2293519 CPFRMLMRVMKNCB-UHFFFAOYSA-N 434.923 5.503 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2297712 LXFQAHHCLJJQIY-UHFFFAOYSA-N 440.273 7.455 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCc3nnc(-c4ccc(Cl)cc4)o3)c2C1 2621017 MNKWNWFVPVORAI-CQSZACIVSA-N 433.895 5.420 0 40 IKAB CCCSc1nnc2c(n1)O[C@@H](c1ccc(Br)s1)Nc1ccccc1-2 2741647 OQQIQNYGQUKWIE-HNNXBMFYSA-N 435.372 5.368 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1sccc1SCc1c(Cl)cccc1Cl 3047276 AIRCKPKEIGNCTO-UHFFFAOYSA-N 428.793 7.253 0 40 IKAB Nc1ccc(C(OC(=O)c2ccc(Cl)cc2Cl)(C(F)(F)F)C(F)(F)F)cc1 3189090 FWMBOOOJWQQNKE-UHFFFAOYSA-N 432.147 5.753 0 40 IKAB O=C(c1cccc(C(F)(F)F)c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3271964 AXVPURREBOOBSD-UHFFFAOYSA-N 432.854 6.947 0 40 IKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1ccccc1C(=O)Nc1ccccc1 3287411 TVIZKVOGMNUTQI-UHFFFAOYSA-N 431.344 5.977 0 40 IKAB O=C(OCc1ccc(Br)cc1)c1cc2sc(Nc3ccccc3)nc2s1 3340012 KSUNCYVJGBQVMI-UHFFFAOYSA-N 445.363 6.221 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3604130 QYNBWFJRTOXNRP-INIZCTEOSA-N 426.973 5.081 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426982 JVRPBQRHDRDODB-RUZDIDTESA-N 442.544 5.171 0 40 IKAB CC(C)CC[C@H](COC(=O)c1ccccc1C(=O)OC[C@@H](CCC(C)C)C(C)C)C(C)C 4683292 JCJPBWVRHVLSJW-DNQXCXABSA-N 446.672 7.417 0 40 IKAB CC(C)(C)P(=NC(=S)Nc1ncccn1)(N1CCCCCC1)N1CCCCCC1 5496400 YRYAWSILRUWHCG-UHFFFAOYSA-N 436.610 5.755 0 40 IKAB CC(C)(C)c1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccccc3)cs2)cc1 6075334 WHYFOPIOXGYXHP-UHFFFAOYSA-N 440.612 6.997 0 40 IKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSc1ncn[nH]1 6232558 UJRULAJRVQBIQM-JOCHJYFZSA-N 426.973 5.072 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8755197 WLEUCRMMPSYVPP-HXUWFJFHSA-N 429.951 5.821 0 40 IKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810207 NRKMHGMZRSVJQA-UHFFFAOYSA-N 446.931 5.403 0 40 IKAB O=C(c1cc2ccccc2o1)N(Cc1nnc(-c2ccccc2Br)o1)C1CC1 9217085 JPFXXLYJNGIQGG-UHFFFAOYSA-N 438.281 5.050 0 40 IKAB Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@@H](C)c2ccccc2)cc1 9250055 UEGLJIAJTVCWNY-IBGZPJMESA-N 433.577 5.229 0 40 IKAB CSc1ccccc1NC(=O)Nc1ccc(NC(=O)Nc2ccccc2SC)cc1 9283010 MUTFTPRFPBXKLM-UHFFFAOYSA-N 438.578 6.418 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 9354793 VDRHMGZYJVXNNR-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 9378088 FRIIPVVZNQWQHY-HSZRJFAPSA-N 444.560 5.135 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)o2)c(OC)c1 9577928 IZKXCJROMRMTDO-QFIPXVFZSA-N 432.501 5.470 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1C 9949948 APSPPQCFUJHGNC-KRWDZBQOSA-N 448.548 5.097 0 40 IKAB CC(=O)N(c1nc(COC(=O)/C=C/c2ccco2)cs1)c1c(C)cc(C)cc1Cl 10753590 NZCZOYHXDPLBJI-VOTSOKGWSA-N 430.913 5.448 0 40 IKAB COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccccn2)cc1 11024735 GUQMFNBAKFRRMR-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(N2CCCC2=O)c(Cl)c1 11139403 CJLQXPNEPJNNPU-NSHDSACASA-N 427.715 5.180 0 40 IKAB COc1cc(CCC(=O)Nc2nc(-c3ccc(SC)cc3)cs2)cc(OC)c1OC 11422564 HTYCDQGXYLROLL-UHFFFAOYSA-N 444.578 5.129 0 40 IKAB Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n(C[C@H]2CCCO2)c1C 12519930 HSYISDBTOYUPKN-CQSZACIVSA-N 447.910 5.082 0 40 IKAB Cc1cccc(N2C(=O)/C(=C/Nc3ccc(SC(F)F)cc3)c3ccccc3C2=O)n1 12648072 XKXUPKGOVLGBCV-CPNJWEJPSA-N 437.471 5.345 0 40 IKAB Cc1cc(C)c2nc(S[C@H](C)C(=O)N[C@H](C)c3ccc(Cl)cc3Cl)cc(C)c2c1 12650956 NDYBSVGBHIRAEE-HZPDHXFCSA-N 447.431 6.825 0 40 IKAB COc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)Cc2cccs2)cc(OC)c1OC 12768334 GVSCBJOWSRYBRN-KRWDZBQOSA-N 425.550 5.048 0 40 IKAB O=C(Nc1cccc(CNCc2ccc(N3CCCC3=O)cc2)c1)c1ccccc1Cl 12820690 NLXJSHBVQSORLL-UHFFFAOYSA-N 433.939 5.009 0 40 IKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 13025451 QZOQJNYGJWAZLJ-DEOSSOPVSA-N 431.536 5.245 0 40 IKAB Clc1ccc(-c2noc(CCCSc3nnc(-c4cccs4)n3C3CC3)n2)cc1 13114355 BTUHNBKUNZVEBK-UHFFFAOYSA-N 443.985 5.770 0 40 IKAB Cc1ccc(OCCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 13828248 UYSWKYHEVMNXSA-UHFFFAOYSA-N 433.596 5.443 0 40 IKAB COc1cc2c(cc1OC)-c1cc(Oc3cc(C)c(Cl)c(C)c3Cl)nc(=O)n1CC2 13842526 RBPVPYBNMOZNLK-UHFFFAOYSA-N 447.318 5.200 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cc1 13871543 YSDNVILNURKQIL-GOSISDBHSA-N 438.597 5.348 0 40 IKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC(Cc2ccccc2)CC1 13896411 FDLZBJHEZKEONG-UHFFFAOYSA-N 436.020 6.727 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)c(Br)c1 14036309 UBTYUFVAXINNMI-UHFFFAOYSA-N 440.337 5.608 0 40 IKAB COc1c(C(=O)NC(=S)Nc2c(C)cccc2C)cc2ccccc2c1Br 14270033 SAUPXOWQAMNMPB-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1C 14271251 JDSOAVJWBWSJEI-UHFFFAOYSA-N 443.528 5.429 0 40 IKAB CCCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16638178 LAWFOSFWEPIHCX-UHFFFAOYSA-N 445.228 7.005 0 40 IKAB CC(C)(C)C(=O)N1CCC(c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)CC1 19081088 REHSIJXNOHCDRQ-DOTOQJQBSA-N 440.535 5.357 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccccn3)n2)c1 19401738 JIRCPHMXIHUNLT-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20050329 WXWQXFKPIMIUBW-LJQANCHMSA-N 428.381 5.209 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccccc1 20112630 SIOZUJFSZAGLSS-FQEVSTJZSA-N 442.968 5.330 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1OCc1cc(=O)n2cccc(C)c2n1 21156823 XMMFHXIVDRNAGP-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1ccccc1-c1nnc2n1CCCCC2 24842206 JJEOFUKJMWXOOW-UHFFFAOYSA-N 438.531 5.356 0 40 IKAB O[C@@H](CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(F)cc1 25221690 CNAUIXLMRGWXSD-NRFANRHFSA-N 439.943 5.476 0 40 IKAB Cc1cccc(C2=N/C(=C/c3cc4ccc(C)cc4nc3Sc3ccccc3)C(=O)O2)c1 27573008 FCNQPOFXWAWUPG-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)c1cccc(C(F)(F)F)c1 28231590 WCKOKWIQCSMJEA-UHFFFAOYSA-N 425.813 5.612 0 40 IKAB Cc1noc(C)c1CC(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 32717033 VWDHRJKEMUMMED-RUZDIDTESA-N 449.554 5.931 0 40 IKAB Cc1cccc(/C=C(/C(=O)Nc2cccc(NC(=O)c3ccco3)c2)c2cccs2)c1 32906938 HOEISGHZKSYVHL-RCCKNPSSSA-N 428.513 6.081 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1Cl 33627072 CDWLFIXAPZPWBY-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 38860828 UMQCYFCFIGXDFF-IBGZPJMESA-N 438.930 6.122 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccccc3)n2-c2ccc(C)cc2)cc1 44086465 NCBUZQGQYZJKQE-UHFFFAOYSA-N 429.545 5.587 0 40 IKAB CCOC(=O)c1cccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1C 44911682 JJAZMPKSZSOAJR-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(Cl)cc4Cl)c3)nn12 57316962 GPTRNZRZMBQXSZ-VQHVLOKHSA-N 444.347 5.374 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nc3ccsc3c2=O)c1 57487419 JATBCGMWWDGWCH-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3ccsc3c2=O)c1 57487421 PIYPCGKDAGIXHT-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1ccc(-c2nc3c4ccccc4n(Cc4cccc(C(F)(F)F)c4)c(=O)n3n2)cc1 65534930 FIVFIYQFASAPFA-UHFFFAOYSA-N 434.421 5.087 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccccc1C(F)(F)F 67294552 AEOKUQCAJUFZBN-IADYIPOJSA-N 442.824 6.590 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OCC 106683127 QFIFYEPOKFLLHT-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 222414135 AIFYXDNNZJYZRG-XMMPIXPASA-N 440.653 5.177 0 40 IKAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420899 SPQQYPKTEAEXBO-AREMUKBSSA-N 448.994 5.425 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223422678 WSEGNBUQYMHLBG-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3nnc(-c4ccc(Cl)cc4)s3)cc2)CC1 223881929 MSAGEJRGHNAFCO-UHFFFAOYSA-N 426.973 5.343 0 40 IKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4cccc(Cl)c4)CCCC3)cn2)C1 223988467 QNECEFVNERYYQI-GOSISDBHSA-N 443.060 5.770 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224315612 KVEXNDDAXPSRGT-UHFFFAOYSA-N 441.483 5.466 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)c(Cl)c1 224998356 UJMCDIFCMUAMNJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224999305 UEMDXKSZDWNARQ-QFIPXVFZSA-N 434.624 5.090 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(I)c1 225023222 UVDRUTZZIQKXEV-UHFFFAOYSA-N 440.495 5.812 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225132137 NZHIQFIBHOXKIF-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3C)ccc2c1 225612887 OMOPLLTUWPSSJJ-SANMLTNESA-N 431.557 5.533 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 225629649 IJZDFIVTFBIZEB-CVDCTZTESA-N 445.003 5.221 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc3c2CCCC3)sc2c1CCCC2 225811480 MRDWAQGVDDQKFT-OAHLLOKOSA-N 427.566 5.088 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)c2ccccc2O1 225827114 RFBQDQAOMPTOJF-RUZDIDTESA-N 445.628 7.100 0 40 IKAB CCOC(=O)c1cc(NC(=S)NC2(CCc3ccccc3)CCCC2)ccc1Cl 225866398 UFMBHXOWAWPERK-UHFFFAOYSA-N 431.001 5.749 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 239338723 LBMQWGLSKLHDSA-QWZKXEKUSA-N 445.606 7.163 0 40 IKAB C[C@H](c1ccncc1)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 257253342 JYNCIIWGLXPXPJ-KDOFPFPSSA-N 443.498 5.770 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OCC 408616898 AOWFEXCPRVQGHX-UHFFFAOYSA-N 435.520 6.317 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)cc1C 408638315 CDSZFBMIICYUSE-RBBKRZOGSA-N 428.532 5.644 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c12)CCCCC3 408992075 RXHPKGFMHJWGAZ-UHFFFAOYSA-N 431.344 6.900 0 40 IKAB Cc1c(Cl)cccc1NCc1ccc(OCc2ccccc2F)c(Br)c1 409109785 LJYSAPQDLTXDIN-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1cccc(Br)c1 409166276 CNLNMYKEZXSYQW-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409167064 IKUUVVPRGJXOLM-VGOFMYFVSA-N 447.343 5.446 0 40 IKAB Cc1ccccc1CN(c1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(C)(=O)=O 409173126 KIDFRIONBIGQPG-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)c(C)c1 409182726 OMUAVMOOLPFEDT-BKUYFWCQSA-N 432.501 5.238 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc(Cl)cc4)cc3)C2=O)cc1 409231236 ISJGGSDSULYUMJ-OEAKJJBVSA-N 432.907 5.320 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc3ccccc23)C1=O)Nc1cccc2ccccc12 409362323 UVHDPTUHDCUJIY-HZHRSRAPSA-N 438.508 5.668 0 40 IKAB CCCn1cnc2cc(C(=O)N3CCCCCCCN(C(C)=O)c4ccccc4C3)ccc21 643553398 REZCAFJWTDNYMY-UHFFFAOYSA-N 446.595 5.406 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CCCCC2(CCN(Cc3ccccc3)CC2)C(=O)N1 643578856 HNUYQDTVZDYUKF-SANMLTNESA-N 448.651 5.605 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccc(C)cc3)cc2c1 884704 WNCBPZHKYKTUFK-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB COc1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c(Br)cc1O 1011827 JFWPYHGKVBRPBK-CHHVJCJISA-N 440.702 5.058 0 40 IKAB Nc1c(-c2nc(-c3ccccc3)cs2)c2ccccn2c1C(=O)c1ccc(Cl)cc1 1027202 CWWBCHFXEIEUCL-UHFFFAOYSA-N 429.932 6.196 0 40 IKAB Brc1cc(Br)cc(-c2nnc(-c3cccc4ccccc34)o2)c1 1580731 AVIIIPIJWSLXPS-UHFFFAOYSA-N 430.099 6.082 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(Cl)c4)c3)nc2c1 1841493 NNMPNYBXDOTWCF-AWEZNQCLSA-N 439.342 7.567 0 40 IKAB Cc1cccc(OP(=O)(Nc2ccc(OC(C)C)cc2)Oc2cccc(C)c2C)c1C 1864368 IKUHJYUPOAXQBB-UHFFFAOYSA-N 439.492 7.385 0 40 IKAB COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccccc5)ccc34)c(=O)oc12 2160262 FYIQHJNUEFTWIZ-UHFFFAOYSA-N 426.424 5.154 0 40 IKAB biogenic Cc1ccc(-c2csc3ncnc(SCc4ccc(Br)cc4)c23)cc1 2264850 ASSXUGXFLISUBP-UHFFFAOYSA-N 427.392 6.722 0 40 IKAB CCCCOC(=O)c1ccc(N2COc3ccc4cc(Br)ccc4c3C2)cc1 2296583 OQOQEOBBLNQABZ-UHFFFAOYSA-N 440.337 5.916 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1ccc2c(=O)c(-c3nc4ccccc4s3)coc2c1 2397689 VXRJGGYEFWNFIA-JLHYYAGUSA-N 425.465 5.689 0 40 IKAB O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Sc1ccc(Br)cc1 2505816 FDGYOPXTRNZGCI-UHFFFAOYSA-N 435.346 6.266 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2 2753373 XGQRJHNDABGZGI-LPHOPBHVSA-N 442.466 6.010 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)COc1c(C)ccc(C)c1C 2889796 PTRQTDNPVPNWNQ-UHFFFAOYSA-N 439.533 5.153 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(Oc2ccccc2)cc1 3313615 QMXXEICZWKDSHO-UHFFFAOYSA-N 437.521 6.014 0 40 IKAB CCOc1ccc(C(=O)OCc2cn(-c3ccccc3)nc2-c2ccc(C)c(C)c2)cc1 3386809 QEMZNNDODJBAGP-UHFFFAOYSA-N 426.516 5.912 0 40 IKAB CCCCC1CCC(C(=O)Nc2scc(-c3ccc(F)cc3)c2C(=O)OCC)CC1 4352793 LLDSUJXDXCYEJF-UHFFFAOYSA-N 431.573 6.666 0 40 IKAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2ccc(OCc3ccccc3)cc2)CC1 4680530 QVLORXORUCAJPX-UHFFFAOYSA-N 428.576 5.136 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)c4ccccc4)c(N)c23)cc1 6157199 HFKVKNODEQMBBB-UHFFFAOYSA-N 436.536 6.452 0 40 IKAB CC1CCN(C(=O)c2nn3c(c2Cl)N[C@@H](c2cccs2)C[C@H]3C(F)(F)F)CC1 8444411 BDRJBIBMMOPNCV-YPMHNXCESA-N 432.899 5.130 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(OCc4ccccc4Cl)cc2)N3)C1 8771706 KLJYDOWCWHBHHT-NRFANRHFSA-N 439.968 5.397 0 40 IKAB CCOc1cc(C(=O)Nc2nc3c(OC)ccc(C)c3s2)cc(OCC)c1OCC 8956143 PEYAGIFJLYAFMP-UHFFFAOYSA-N 430.526 5.062 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 9019647 AWRQZCOGPCRLAZ-SIKLNZKXSA-N 427.342 5.278 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2Oc2ccccc21 9134628 IPMUDTGHSQJIAP-UHFFFAOYSA-N 426.394 5.730 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)N3CCN(c4ccccc4O)CC3)c2c1 9209093 NZGOYUCTAMHLGC-UHFFFAOYSA-N 445.588 5.192 0 40 IKAB CC[C@H](Sc1ncc(-c2ccccc2)nn1)C(=O)Nc1nc(-c2ccccc2)cs1 9227593 KFGZNHMQKNFQFV-IBGZPJMESA-N 433.562 5.172 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCCO2 9255698 FRSYHGFBAYVBGA-UHFFFAOYSA-N 438.483 5.045 0 40 IKAB C[C@@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 9283335 LSQYUANLXXIJGM-LLVKDONJSA-N 439.393 5.576 0 40 IKAB Fc1cccc(Cl)c1CSc1ncnc2c1cnn2-c1ccc(Br)cc1 9345518 HVKKVDQFHXGDND-UHFFFAOYSA-N 449.736 5.663 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355555 BTXVLAIUJIPDLV-GDLZYMKVSA-N 446.525 6.730 0 40 IKAB Cc1c(NC(=O)Cc2ccc(Br)cc2)cccc1-c1nc2cccnc2s1 9403949 IFIGVMLRHKHSJA-UHFFFAOYSA-N 438.350 5.610 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CSc3nc4ccccc4o3)cc2)cc1 9466065 WYHOMWCZCBRWJU-UHFFFAOYSA-N 447.516 5.210 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccc(Cl)cc1Cl)Nc1ccccc1 9599262 RWOKVCCNKAIJSI-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nn(-c3ccc(F)cc3)c(=S)s2)c1 9602531 AALQPOGPZQBROI-LBPRGKRZSA-N 433.555 5.124 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccccc2Cl)cc1 9679130 XDLLXGCKNKFQLR-HSZRJFAPSA-N 434.326 6.442 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)n1-c1ccccc1 9713092 ZPCNSOSWORDICO-UHFFFAOYSA-N 430.533 5.055 0 40 IKAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3cc4ccccc4o3)ccc2o1 9892789 UVCYRDIVHJEGCU-UHFFFAOYSA-N 427.485 5.676 0 40 IKAB CN(C)c1nc2cc(C(=O)Nc3ccccc3OC(F)F)sc2n1-c1ccccc1 12535396 OXOIRBNVUFEYHG-UHFFFAOYSA-N 428.464 5.007 0 40 IKAB C[C@@H](OC(=O)c1ccc(-c2nc3ccccc3s2)s1)C(=O)Nc1cccc(Cl)c1 12650032 RQDOOMWDEVNSAS-GFCCVEGCSA-N 442.949 5.862 0 40 IKAB Cc1ccc(NC(=O)CN[C@H](c2ccc(F)cc2)c2cccs2)c(Br)c1 12769655 PZOQRRFIIDUYII-HXUWFJFHSA-N 433.346 5.276 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CN[C@H](C)c4ccc(F)cc4F)[nH]c(=O)c23)cc1 12977832 CYZZBSSXTOCEKC-CYBMUJFWSA-N 425.504 5.397 0 40 IKAB CC(C)(C)C(=O)N(Cc1cc(-c2ccccc2)cn2nnnc12)c1ccc(C(C)(C)C)cc1 13566563 GFOYWWGCZFTETJ-UHFFFAOYSA-N 441.579 5.668 0 40 IKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)c4cc(Cl)ccc4Cl)cc3)sc2c1 13948068 OZLACMJUPWWPDS-UHFFFAOYSA-N 449.384 6.379 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc4nc(N5CCOCC5)sc4c3)ccc2c1 14128688 MHNVQLROHKLWGN-INIZCTEOSA-N 447.560 5.037 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4cc(Cl)ccc4OC)c3)nc2c1 16610779 QHBPDLODHLWQPX-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1C 17095176 YGEZLMMHWMDPMX-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)cc1 17096513 CIQRCKPUJPCCPF-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB CC[C@@H](NC(=O)c1c(-c2c(F)cccc2Cl)noc1C)C12CC3CC(CC(C3)C1)C2 17097273 JBPHPGIIBYURDY-NFQTVLRUSA-N 430.951 6.167 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4ccn(C(F)F)n4)C3)c(-c3ccncc3)c2c1 19220287 DWNVBAYDDPICHN-QGZVFWFLSA-N 435.478 5.150 0 40 IKAB Cc1nc(-c2nc(N[C@@H](C)c3ccccc3)ncc2-c2ccccc2F)sc1CCN 19560949 VPDOEKWIAOWLNO-HNNXBMFYSA-N 433.556 5.389 0 40 IKAB CCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCN(Cc1ccccc1)C3 20065107 MHTFTVGVBRWNJU-UHFFFAOYSA-N 447.629 5.426 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1F 20395504 XAAOOKAGQFMRPF-FQEVSTJZSA-N 436.874 5.749 0 40 IKAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 20487505 RFSZEIREEBRSMR-QHCPKHFHSA-N 442.625 5.077 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 20797302 OADPSGRYRQBULV-JOCHJYFZSA-N 449.341 6.271 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)CCc1ncc(-c2ccccc2Cl)o1 25277053 KIBCXPMATZWHAA-UHFFFAOYSA-N 440.887 5.009 0 40 IKAB C[C@H](NCc1ccccc1-c1ccc(CN2CCCC2)cc1)C(=O)Nc1ccc(Cl)cn1 25501164 YCAFDTUMLQAHHE-IBGZPJMESA-N 448.998 5.115 0 40 IKAB CCc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 32622445 PMGSEFSHIPCXAL-UHFFFAOYSA-N 442.382 5.655 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1N1CCCC1 35169263 CLSPDAAHMCEUIU-ACCUITESSA-N 427.331 6.506 0 40 IKAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)NCCc5cccc6cccnc56)(C4)C2)C3)cc1 39548104 FGTRKYGLHTVXPX-QURFURGYSA-N 440.587 5.440 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)c(Cl)c1 49005016 YSXKNLHFJFQEMT-QGZVFWFLSA-N 438.959 5.749 0 40 IKAB Cc1ccc2c(Nc3cccc(OC(F)(F)F)c3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1 49005420 XMFMDJSHDVQUOT-CQSZACIVSA-N 444.457 5.453 0 40 IKAB Clc1ccc(/C=C2\CCCc3c(-c4ccc(Cl)cc4)nn(-c4ccccc4)c32)cc1 51330386 CXEHLSXKXVFFMS-LVZFUZTISA-N 431.366 7.723 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)cc1 67217107 LBTJRWFLAVLXNN-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc3c(c2)OCO3)n1Cc1ccccc1Cl 67258517 IEDYUTWGPFDVMX-UHFFFAOYSA-N 436.920 5.119 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4cc(C)ccc4C)nccn3n2)cc1 67290431 URTYQOPGKDGFRR-UHFFFAOYSA-N 432.549 5.143 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 89662160 NYMNHIOZXYHXJA-RTBURBONSA-N 446.979 5.144 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(OC)c1 101035989 ZRVPLKLACAGKSC-OZQHCQBDSA-N 430.548 5.474 0 40 IKAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(-c4ccccc4)nn32)cc1O 101915762 ODGWEHHGTJGDDI-HXUWFJFHSA-N 430.895 5.369 0 40 IKAB COc1ccc([C@@H]2N=C(Nc3nc4ccccc4o3)N=C3CC(C)(C)CC(O)=C32)cc1OC 104131667 HRULZSQFVHKDPZ-QFIPXVFZSA-N 446.507 5.441 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958860 FEGIODQEQKCSOY-QHCPKHFHSA-N 426.604 5.941 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1F 214341282 XXNORNCXGLVMFB-YBFXNURJSA-N 447.409 6.341 0 40 IKAB CC[C@@H](NC(=O)c1cc(Cl)ccc1OCc1ccccc1)c1ccc(OC)c(OC)c1 219775153 HSBIBDAKVKKINP-OAQYLSRUSA-N 439.939 5.817 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3)cc2)cc1 222970396 BUHTVUBKTPHAIK-UHFFFAOYSA-N 433.895 5.638 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)c1cc(Cl)ccc1OCc1ccccc1 223628859 CKLFHPHLMYSPMH-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)cc2C)cc1COc1ccc(-c2ccccc2)cc1 224215422 JZHQHRCRGGXWEH-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccccc1OC 224244740 MFYDGTQINMDUAR-UHFFFAOYSA-N 445.559 5.378 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccc(F)cc1 408588303 VMSNRUIYOSXQNY-UHFFFAOYSA-N 446.588 5.220 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)c1C 408696992 DIGFQMNUBBCMDS-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 409197937 SGXFCOHXFDKHJW-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccccc4Cl)c3)C(=O)O2)cc1Cl 409205705 FFMZAPABKGKKJO-WSDLNYQXSA-N 438.310 6.225 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409375237 HOHBBDCVGMYVHE-UHFFFAOYSA-N 438.955 5.931 0 40 IKAB COC(=O)c1ccc2cc(-c3ccc(OC)c(C45C[C@@H]6CC(C[C@H](C6)C4)[C@@H]5O)c3)ccc2c1 618255062 DIAVPUQUVSPIMG-PAUUXRARSA-N 442.555 5.741 0 40 IKAB O=C(c1ccc2c(c1)OCO2)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643569608 LSHDGHCASYCOJA-UHFFFAOYSA-N 448.563 5.155 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccccc3OC)nc(-c3ccc(F)cc3)nc12 648805 QNBYQVUIMQVWIM-UHFFFAOYSA-N 447.535 5.738 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2C1 661877 FSUBECGICZSEPZ-LLVKDONJSA-N 430.371 5.408 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 669555 OKITVMSCBLNDQC-UHFFFAOYSA-N 427.740 6.096 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1 680577 ZTFUEQRNNOUSAQ-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB Cc1ccc(NC(=O)c2nn3c(C(F)(F)F)cc(-c4ccco4)nc3c2Cl)cc1C 848515 JVJQDUOZLNFHMC-UHFFFAOYSA-N 434.805 5.531 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919453 YKEWWKPTTWZMRI-NRXGSXMXSA-N 432.446 5.902 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4ccc(F)cc4)c23)C1 1223123 BYPKLUDXPSCZDH-ZDUSSCGKSA-N 429.586 5.712 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCc1ccccc1-3 1825049 KYESXIMGPAFMAW-UHFFFAOYSA-N 446.641 6.804 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1F 2093446 AGBSPJWMWCKPTN-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(Cl)ccc3C)nnc2-c2ccccn2)cc1 2228701 AMXONQFYUVQPRS-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1cccc([C@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)c1 2346323 BFRTXVMZVFEHEV-JOCHJYFZSA-N 425.315 6.086 0 40 IKAB COc1cccc2cc(-c3cc(=O)oc4cc(OCc5ccccc5F)ccc34)c(=O)oc12 2364184 FSGKZTBLTHYMTK-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 2384508 SBVROASOQQIFJD-NGQVCNFZSA-N 442.927 6.545 0 40 IKAB O=c1oc2ccc(Br)cc2c(-c2ccccc2Cl)c1-c1cccc(Cl)c1 2583399 RMCUQQFQSSXMGO-UHFFFAOYSA-N 446.127 7.196 0 40 IKAB biogenic O=c1c2[nH]c3ccccc3c2nc(SCc2ccc(Cl)cc2)n1-c1ccc(F)cc1 2720891 YUYJWUXXKFUXQE-UHFFFAOYSA-N 435.911 5.952 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCCC2 2740659 VZXFPIGPQXMSPW-UHFFFAOYSA-N 448.009 6.623 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(Cl)c1)OCc1ccccc1 3268793 VVEFHNXOTYCFSB-NRFANRHFSA-N 443.330 5.470 0 40 IKAB CC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1 3282580 IMASVAWNNMPVGB-UHFFFAOYSA-N 449.466 5.101 0 40 IKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ccc(SC(F)F)cc1 3291834 ZUAFFQHNJXBZDL-UHFFFAOYSA-N 427.472 5.388 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(Oc4cccc(C(=O)NCc5ccccc5)c4)c23)C1 3309730 WOGVHUQPAWPXHY-INIZCTEOSA-N 429.545 5.538 0 40 IKAB Cc1ccc(-c2nnc(SCCOc3ccccc3Cl)nc2-c2ccc(C)cc2)cc1 3352077 UTPNOJZMYFMVTM-UHFFFAOYSA-N 447.991 6.647 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C(C)(C)C)C4)cc1 4213751 GMLGDLAXRADMFF-HNNXBMFYSA-N 425.623 5.882 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)ccc1OC 4554741 YTWHFQUXBVUVIA-YCRPNKLZSA-N 428.598 6.125 0 40 IKAB Cc1ccc(N=[P@@](c2c(C)nn(-c3ccccc3)c2C)(N2CCCC2)C(C)(C)C)cc1 5682963 XLHFKNQBXCXEGZ-HKBQPEDESA-N 434.568 6.765 0 40 IKAB COc1cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc(OC)c1OC 8902937 GCBHHHMIHJARRV-UHFFFAOYSA-N 446.503 5.896 0 40 IKAB COc1cccc(NC(=O)CSc2ccccc2C(=O)Nc2ccc3ccccc3c2)c1 8966103 DPPBDWQBQSKWQG-UHFFFAOYSA-N 442.540 5.832 0 40 IKAB Cn1c(COc2ccc(Cl)cc2)nnc1SCc1csc(Nc2ccccc2)n1 9220809 GIYSEFXUNJNLFE-UHFFFAOYSA-N 443.985 5.540 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Br)c2)nnc1-c1ccccc1 9262832 JQHHAFCWOMCUAC-UHFFFAOYSA-N 445.386 5.094 0 40 IKAB Fc1cccc(F)c1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 9307959 UHINCOHJLXNCHE-UHFFFAOYSA-N 448.325 6.812 0 40 IKAB Cc1ccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccccc3)c3ccccc3n2C)cc1 9355487 ZEXRLACNYBWNQX-SSEXGKCCSA-N 442.562 6.899 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 9366647 VUUATENUARDNHB-UHFFFAOYSA-N 439.484 5.500 0 40 IKAB O=c1[nH]c(SCc2c(F)cccc2Cl)nc2c1sc(=S)n2Cc1ccco1 9410454 ITKUGLZYDUBWPY-UHFFFAOYSA-N 439.946 5.242 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1cccc2ccccc12 9426124 XSVKTRJOTOHCLF-UHFFFAOYSA-N 441.487 5.914 0 40 IKAB CSc1nc(NCC(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CC(C)(C)OC4 9499341 QYKRZUOZOFCLEX-UHFFFAOYSA-N 444.670 6.079 0 40 IKAB O=C(CCCc1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12 9518496 YOWROLWCODAFCG-UHFFFAOYSA-N 442.471 5.375 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2nnc(C3CC3)s2)cc1 9583500 ZSGHEUKHKDTKBW-UHFFFAOYSA-N 432.574 5.696 0 40 IKAB O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccccc2)n1 9608260 JBWVTCCDVRJWBV-AREMUKBSSA-N 439.540 5.000 0 40 IKAB COc1ccc(SCCC(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)cc1 10219550 DICNRRCLVWWMMD-UHFFFAOYSA-N 436.558 5.798 0 40 IKAB COc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)cc2)cc1 12478321 SGCGCKJPYAASIK-VWLOTQADSA-N 446.547 5.434 0 40 IKAB C[C@@H]1CCc2sc(-c3nnc(S[C@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 12478511 ZYSIRNVKVBSYGN-BLVKFPJESA-N 443.569 5.174 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(C)c1OC 12651144 LTUSTROHIYQQGZ-UHFFFAOYSA-N 430.504 6.196 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 12679222 CGDVSBIHYKHSAT-NRFANRHFSA-N 429.520 5.148 0 40 IKAB O=C(Nc1ncc(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)s1)c1ccccn1 12741960 FQSGZHOUXMGMBY-UHFFFAOYSA-N 431.361 5.419 0 40 IKAB Cc1cc(NC(=O)c2ccc(COC(=O)CSc3ccccc3F)cc2)ccc1Cl 13039866 VRISZDSHQGVFRM-UHFFFAOYSA-N 443.927 5.875 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)Cc1c(F)cccc1Cl)CC2 13042205 DRHCWAAQYJNXRW-RUZDIDTESA-N 439.914 5.213 0 40 IKAB COc1ccc(CN(C)Cn2nc(COc3ccccc3)n(CCC(C)C)c2=S)cc1 13072631 YRUGNUGLVPVLDO-UHFFFAOYSA-N 440.613 5.137 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1cccc(/C=C2\C(=O)Nc3ccc(Cl)cc32)c1 13145344 NEQYRZMBUCIZBZ-QJUDHZBZSA-N 433.294 5.979 0 40 IKAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1ncoc1-c1ccc2ccccc2c1 13565469 JSWBEMKVCWFBKJ-UHFFFAOYSA-N 433.895 5.237 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3C)nc2c1 13634907 TZPMKBDDJQFLMM-UHFFFAOYSA-N 432.523 7.339 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1C 14154732 GCMKYQAREFNTSB-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(NCc1ccccc1COc1ccccc1)c1ccc(OCc2cscn2)cc1 15480660 SRXIQWBZFUMKOV-UHFFFAOYSA-N 430.529 5.231 0 40 IKAB COc1cccc2c(NC(=O)/C=C/c3ccccc3)c(C(=O)c3ccc(Cl)cc3)oc12 15729435 RBZLFOKWCNUDQE-XNTDXEJSSA-N 431.875 5.978 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 16610831 OUAGCOJMGMIIIM-RTBURBONSA-N 442.559 7.438 0 40 IKAB Cc1cc(C)cc(-n2c(S[C@@H](C)c3ccccc3)nc3c([nH]c4ccccc43)c2=O)c1 17010968 DSFXIJXNUHLWSM-SFHVURJKSA-N 425.557 6.337 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(CC)cc4)nc3cc2C)cc1 17095986 BLXQJVDQYSUXCG-UHFFFAOYSA-N 428.536 5.723 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1F 17097920 LBSDXKJUEGZQDK-UHFFFAOYSA-N 432.476 5.034 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(Br)o2)c2c[nH]c3ccccc23)cc1 18074539 UBUKYMNYGUVPPJ-KRWDZBQOSA-N 439.309 5.094 0 40 IKAB COc1coc(C(=O)N2CCC[C@@H](c3[nH]c4ccc(C)cc4c3-c3ccncc3)C2)c1OC 19220262 XNNITUJUBCEXMU-GOSISDBHSA-N 445.519 5.168 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 20411069 GRWKPUMHKJSPEB-KPKJPENVSA-N 431.517 5.917 0 40 IKAB CSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccc(C)c(C)c1 20578427 UWDNCGKTLQSNPH-UHFFFAOYSA-N 441.000 5.545 0 40 IKAB Cc1cc2oc(C(=O)NC[C@H](c3ccc(C(C)C)cc3)N3CCCCC3)cc(=O)c2cc1C 28293039 PUSLXVULACMMEF-XMMPIXPASA-N 446.591 5.490 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 30847442 MTOGWHQJDHDLQF-AREMUKBSSA-N 427.569 6.928 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)C(c1ccccc1)c1ccccc1 31380657 SGOWLKCODAIXHA-SFHVURJKSA-N 444.556 5.852 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1 32616787 BGCQGCPQQWFNFX-UHFFFAOYSA-N 444.962 6.469 0 40 IKAB CCc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 35147324 IDFKSAPYOGZHOE-VWLOTQADSA-N 437.499 5.396 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3OCC(=O)Nc3cccc(Cl)c3)no2)cc1 40488354 DZPXMCCCJHMZJI-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)c1Cl 48331499 IFRVTYKDTMZSMX-UHFFFAOYSA-N 425.735 5.997 0 40 IKAB CCC(C)(C)C1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321566 YGVYYFIPSKWOBV-CBTZJSNWSA-N 446.591 6.324 0 40 IKAB Cc1c(Br)sc2nc(C3C4CC5CC(C4)CC3C5)c(Br)n12 69527674 KUGQXGNPMVGZKP-UHFFFAOYSA-N 430.209 5.769 0 40 IKAB CCCn1c(SCc2nc(-c3ccc(C(C)(C)C)cc3)no2)nc2ccccc2c1=O 73679851 TXRVSYGMFXUHBK-UHFFFAOYSA-N 434.565 5.446 0 40 IKAB Brc1cccc([C@@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c1 101100868 OSXIYGBLZPUGNF-QFIPXVFZSA-N 429.321 5.764 0 40 IKAB CC1=C(CC(=O)Nc2cccc(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101480028 IIVJQLHMWVTLKK-IACAVPECSA-N 447.531 5.625 0 40 IKAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 101715043 LFHRIHWUOKXWMB-JPYJTQIMSA-N 440.012 5.083 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(C23C[C@H]4C[C@@H](CC(c5ccccc5)(C4)C2)C3)cc1 102978172 DGLBUCLZGMSFBZ-NOJQVIABSA-N 433.595 7.128 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 106982155 UUPILSCPVAUSIO-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB C[C@H]1CCCCN1Cc1ccc2oc(-c3cccc(I)c3)nc2c1 216839341 LBYYUHPIBJSMIJ-AWEZNQCLSA-N 432.305 5.474 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223449815 ZOVRTKAUUJMLGU-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1C 224257576 KHIOKXBBEGKPAI-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 224313208 JXCFAFHQAUXWFT-NRFANRHFSA-N 433.017 5.074 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 224393483 FVHFPSBVIBKTJF-PKTZIBPZSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1Cl 224484381 AWHKGVXZSZCPSA-INIZCTEOSA-N 444.358 6.462 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1OCC 224731552 OFAUOHMAVLNXBG-UHFFFAOYSA-N 435.589 6.806 0 40 IKAB CCc1ccc(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)cc1 224748555 NRSMZMSIWZSEGO-UHFFFAOYSA-N 444.641 5.160 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224976596 KZDPIATYXXPAKO-QZTJIDSGSA-N 433.017 5.154 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)COc2ccc(C)c(C)c2)c1 225447869 HJFVWWJYXXEGAV-ZOLHPDHPSA-N 448.588 5.028 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)ccc1O[C@H](C)CC 225760004 YOBUGUDZRFNPER-HXUWFJFHSA-N 437.580 6.190 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(OC3CCCC3)cc2)c2ccccc2)c(C)c1 225769256 XHMNVPVJZJPOSJ-AREMUKBSSA-N 430.617 6.701 0 40 IKAB Fc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(Oc3ccccc3)n2)cc1 225948877 FSHZCJPAKQOSIP-UHFFFAOYSA-N 446.507 5.687 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccnc(-c3ccccc3)n2)cc1NCc1ccccn1 257276119 NSKZDPZONKIGGP-SANMLTNESA-N 449.558 5.436 0 40 IKAB COc1cc2c(cc1CN1CCC[C@@H](c3ccc(Cc4ccc(F)cc4)cn3)C1)CCC2 257324347 WOFYRNRKKXIDJO-XMMPIXPASA-N 430.567 5.688 0 40 IKAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3cccc(F)c3[nH]1)[C@@H]2Cc1ccccc1 257325037 WRETZYILWMCTJJ-PFGYYQCGSA-N 431.555 5.006 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)ccc1OCc1ccccc1 408558023 RODUWQVNOJGINE-UHFFFAOYSA-N 439.511 6.709 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccccc1Cl 408578408 YDEKKRPAFCITTN-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 408662474 RPGFUBWZWNSBSM-PBFVBANWSA-N 446.330 5.020 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccccc2C)c(C(=O)OCC)c1-c1ccccc1 409119328 WFOBEJHHVXCCML-UHFFFAOYSA-N 437.517 5.329 0 40 IKAB CN1C(=O)N/C(=C/c2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)C1=O 409192875 GPCOQTMLCRJWML-YBFXNURJSA-N 427.287 5.248 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 409382915 XSXKYQDMFUSRGB-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 409406316 BOQZCNQCRPUXEI-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](O)c1ccc(-c2cccs2)s1 606440679 OMFNJEISSVIDMV-OAHLLOKOSA-N 444.965 5.557 0 40 IKAB CCN(CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@H](O)c2ccc(Cl)cc2)cc1 1669483 ZDSGIPWJEGRVHD-DNQXCXABSA-N 429.391 6.726 0 40 IKAB CCc1cc(I)ccc1NC(=O)c1sc2ccccc2c1Cl 1838605 KQXBQZWGAICZIU-UHFFFAOYSA-N 441.721 5.974 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@H](C)CC)ccc4o3)ccc2Cl)cc1 1840054 UJXZTYYNWQXHCZ-MRXNPFEDSA-N 448.950 7.313 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c(C)c1 1848261 OJOBRFMITFIROF-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccccc3)nc3c(Cl)cccc23)cc1 2079589 ACGUVHXXXTYAQG-KRWDZBQOSA-N 429.903 6.292 0 40 IKAB CC[C@@H](C)OC(=O)c1c(N)n(-c2ccc(OC(F)(F)F)cc2)c2nc3ccccc3nc12 2199254 VBGXCUUDRYNTOS-GFCCVEGCSA-N 444.413 5.010 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccccc3)sc2c1 2214748 GZWRXZAPCHYFAZ-JOCHJYFZSA-N 438.508 5.769 0 40 IKAB CCCSc1nc2sc3c(c2c2nnc(SCCC(C)C)n12)CC(C)(C)OC3 2351669 DNBACCZCQWJDAE-UHFFFAOYSA-N 436.672 5.831 0 40 IKAB CC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2388150 FCCXCYGAJNQALA-UHFFFAOYSA-N 430.784 6.739 0 40 IKAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2887644 BPPZCYQWUZGWBS-UHFFFAOYSA-N 436.364 5.490 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(NC3CCCCC3)c3ccccc3n2)cc1 2948716 IIBFMKXWWYUUKS-UHFFFAOYSA-N 436.581 5.504 0 40 IKAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccc(F)cc2)s1 3336830 WCKQVFNSLKZYGE-UHFFFAOYSA-N 428.341 5.458 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636624 OAIYXZBHZNZRGH-VGOFRKELSA-N 448.588 5.376 0 40 IKAB CCCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@](C)(CC)Cc1ccccc1-2 3771733 WNBYJUYNDCVARO-MUUNZHRXSA-N 446.660 6.659 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(/C=C/c3ccc(Cl)cc3)c(=O)n1C2 4237250 ROGFEQBELJFWHZ-ZORGVRQLSA-N 436.983 5.198 0 40 IKAB biogenic,in-vitro CCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 4668767 BZXMTIAOAFOSFL-AHKZPQOWSA-N 426.560 6.625 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n2)cc1OC 4757768 DUGYWDXJMJCOLK-IVZQSRNASA-N 435.490 5.585 0 40 IKAB CCOc1cc(C)c(C[C@@H]2SC(=O)N(CCCc3ccccc3)C2=O)cc1C(C)C 6958366 BNDDVQLPHYURKV-QHCPKHFHSA-N 425.594 5.756 0 40 IKAB CC(C)n1cnnc1SCC(=O)Nc1ccc(Oc2ccc(Br)cc2)cc1 8745787 ZGJAZIVYVSUPNJ-UHFFFAOYSA-N 447.358 5.145 0 40 IKAB CCOc1ccc(CN(Cc2ccccc2)C(=O)c2nc(SC)ncc2Cl)cc1 8868223 DDXDPGWUFQKPGL-UHFFFAOYSA-N 427.957 5.093 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2ccccc2c1 8895645 NXJNLXALUWZMSE-MRXNPFEDSA-N 446.551 5.542 0 40 IKAB CCc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9308834 HCQQIVIDDKLUPG-JTHBVZDNSA-N 432.365 6.508 0 40 IKAB Cc1nnc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n1C1CCCCC1 9366246 PBHAJDAUFYQCOW-UHFFFAOYSA-N 434.609 5.432 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 9426951 BTUFQNZPSOCCHG-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB O=C(c1ccc(Cl)cc1)c1ccc(OCc2nnc(-c3ccccc3Cl)o2)cc1 9460454 TVOCCMDNXXABSO-UHFFFAOYSA-N 425.271 5.853 0 40 IKAB COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)cc1 9546819 SIJUHWUZNCOCAL-UHFFFAOYSA-N 437.565 5.127 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc1ccc(F)c(Cl)c1 9599174 FZUYPLWDZFYUPU-UHFFFAOYSA-N 443.975 6.103 0 40 IKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 9614499 SPMUVVVXHAEBRK-HHHXNRCGSA-N 447.962 5.779 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1Cl 9810356 AVMOXVAGXQPMQL-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC(C(=O)c3ccccc3)CC2)cc(Cl)c1OC(C)C 9987721 FZCRWKDDGJYOHV-MDZDMXLPSA-N 441.955 5.271 0 40 IKAB C[C@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCOc1ccc(C(C)(C)C)cc1 11667247 COBIZKXWNBVKDI-SFHVURJKSA-N 431.536 5.497 0 40 IKAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1ccc(Oc2ccccc2Cl)cc1 11867907 ZXTCFHJLUYHJEQ-UHFFFAOYSA-N 425.868 5.361 0 40 IKAB Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)cc1C 12237213 LEMKBRGKTPZFNJ-UHFFFAOYSA-N 447.604 5.639 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2cccc(C)c2)cc1 12482414 YPQOIISETAAYMR-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccco3)=NN2c2ccccc2)cc1 12558292 XLGDOQGJFPINEW-AREMUKBSSA-N 430.511 6.488 0 40 IKAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC12CC3CC(CC(C3)C1)C2 12658197 XZSGOAINOJPZLP-FADFPCINSA-N 441.619 6.524 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc4ccccc4c3)C[C@H]21 12661090 OMDXLDUEOJWXPD-KCWPFWIISA-N 428.532 5.677 0 40 IKAB biogenic Cc1ccc(-c2csc3ncnc(S[C@H](C(=O)NC4CC4)c4ccccc4)c23)cc1 12760356 KIIWMCBLJQKTTC-NRFANRHFSA-N 431.586 5.779 0 40 IKAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 12974008 WACGDRCAEQEROO-INIZCTEOSA-N 441.647 5.583 0 40 IKAB COc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1OC 13001076 KTNQLCRAUHEKRU-UHFFFAOYSA-N 427.298 5.089 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2C)cc1 13063400 IESWOGOMYJABMQ-UHFFFAOYSA-N 446.547 5.571 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 13632314 WWOZGRLMYAZHQI-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB CCOc1ccc(OCC)c(-c2csc(NC(=O)Cc3c(F)cccc3Cl)n2)c1 14071381 TZWBNZMAPTWEHG-UHFFFAOYSA-N 434.920 5.581 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 14117646 UALGEFUDTSVMCS-UHFFFAOYSA-N 448.951 5.017 0 40 IKAB Cc1cccc(NC(=O)Cc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)c1 14236528 BOXYVTOWSLQVQZ-UHFFFAOYSA-N 440.418 5.503 0 40 IKAB CCc1nn2c(c1-c1ccc(OC)cc1)N=C(c1ccc(F)cc1)C[C@@H]2c1ccccn1 14607604 ZJNNEZBDEWYSDG-XMMPIXPASA-N 426.495 5.769 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(COc2cccc3c2OC(C)(C)C3)cc1 15881153 KCXLEYWZEWGJQZ-UHFFFAOYSA-N 431.488 5.018 0 40 IKAB CC(C)c1ccc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2C2CCCC2)cc1 15910635 XSSZZMMWSSMKBC-PNHLSOANSA-N 428.548 7.289 0 40 IKAB O=C(CN(C1=NCCCCC1)c1ccc(OC(F)F)cc1)c1ccc(-c2ccccc2)cc1 16769037 CMCJRXOQARXXDG-UHFFFAOYSA-N 448.513 6.617 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)sc1CCNS(=O)(=O)c1ccc2c(c1)CCCC2 16992072 PBJSWYYMVWBXIB-UHFFFAOYSA-N 447.025 5.172 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 17095951 HNDKBKUKHCFNRM-CXUHLZMHSA-N 428.532 5.628 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 17096346 CLYKAJIUYFNKBI-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB Cc1cc(NC(=O)COc2cccc3ccccc23)c(C)cc1I 17097351 LDIRRYJAMHVNSK-UHFFFAOYSA-N 431.273 5.079 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1Cl)c1cc(Cl)ccc1Cl 17102633 XPZKQKYVINNNPT-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3nc(-c4ccccc4)cs3)n2)cc1 19646938 PDPVCKJDUAYLJQ-UHFFFAOYSA-N 448.378 7.637 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20110219 FBJDYWAOIBXXMH-XMMPIXPASA-N 443.930 6.520 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1sc2cc(Cl)ccc2c1Cl 20139573 UWYXFFSRNSLMBA-UHFFFAOYSA-N 448.327 6.221 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(F)c(Cl)c2)o1 20140407 ATBPPGNMLPZCQO-UHFFFAOYSA-N 446.261 6.397 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20460925 APTKIHAGEOAOAX-HTAPYJJXSA-N 436.939 5.627 0 40 IKAB O=C(COCc1cc(-c2ccc(F)cc2)on1)Nc1cc(C(F)(F)F)ccc1Cl 20478980 OWECFVSCPVAAOG-UHFFFAOYSA-N 428.769 5.308 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 20482325 ZQMOHKJERCUQCF-BVAGGSTKSA-N 430.573 5.342 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C/C2=C(C)CCCC2(C)C)cc1 21985881 VRSMJNVXOITYPE-FSDIUQKZSA-N 447.619 7.333 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)c12 22505611 JIRYINJRYCNEEA-UHFFFAOYSA-N 433.581 5.030 0 40 IKAB O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccc(F)cc3)o2)s1 22535620 HCIYLLRQFAESGO-ATVHPVEESA-N 425.872 5.926 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)o1 23054889 OYJAFIUKYRVLHE-LJQANCHMSA-N 449.557 5.610 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)cc1Br 24765509 PABGWROPSPYBIO-DHZHZOJOSA-N 437.337 5.594 0 40 IKAB Cc1cc(C)cc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770835 JGFKBRHKPVGJHK-AREMUKBSSA-N 440.612 7.436 0 40 IKAB CCO[P@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 26962874 SGDZPTMIISDAHO-WGDIFIGCSA-N 434.687 5.061 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](NC1CCCCC1)C(Cl)(Cl)Cl 27024454 KBOJCECEPHHEFJ-SCDSUCTJSA-N 436.638 5.312 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(C(C)(C)C)cc3)sc2c1 32118844 LSVDDCXOAFQZEP-UHFFFAOYSA-N 425.623 6.063 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nc(-c3ccco3)no2)n1Cc1ccccc1 32754351 FDFGXWZQRQCCTD-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB C[C@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4cccc5ccccc45)cn1c23 33089203 CAFLFFNDUHAUGJ-ZDUSSCGKSA-N 433.305 5.287 0 40 IKAB O=C(/C(=C/c1ccccc1)c1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 34107032 AWCZQIHXZMEGDD-HKOYGPOVSA-N 436.477 5.595 0 40 IKAB CCc1ccccc1NC(=O)[C@H](C)Sc1ncc(-c2cccc(Br)c2)o1 45943411 LXCLECZWXZOAIJ-ZDUSSCGKSA-N 431.355 5.786 0 40 IKAB COc1ccc(NC(=O)[C@@H](c2ccccc2)N2CC=C(c3ccccc3)CC2)cc1Cl 58219023 ODRMWOHSTVNXOY-RUZDIDTESA-N 432.951 5.818 0 40 IKAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCN(C(=O)CC3CCCC3)C2)n1 72346111 WEAVMGLIRPCYQF-KRWDZBQOSA-N 432.490 5.031 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)COc2c(C)cccc2C)n1 72390689 DWYMWWLWWSCRBL-QHCPKHFHSA-N 444.579 5.241 0 40 IKAB O=C(Nc1ccccc1Cc1nc(-c2ccncc2)no1)Nc1ccccc1C(F)(F)F 96102986 ZAOWVSVHSCKLKT-UHFFFAOYSA-N 439.397 5.385 0 40 IKAB CSc1ccc(/C=C/C(=O)Nc2ccc3c(c2)CN(C(=O)c2cccs2)CC3)cc1 96103624 OOPLGMDHDGPODU-IZZDOVSWSA-N 434.586 5.320 0 40 IKAB COc1cc([C@@H](C)NCC(=O)Nc2cccc(Br)c2)ccc1SC(F)F 97048940 WOBDURBQHVXAAN-LLVKDONJSA-N 445.329 5.062 0 40 IKAB Cc1cc2occ(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2cc1C 100156327 OBFGIMIJDOLZPR-HDICACEKSA-N 449.576 5.794 0 40 IKAB CC1(C)[C@@]2(C(=O)Nc3ccccc3Br)CC[C@@]1(C)c1nc3ccccc3nc12 100769058 ANFFCZSIBRJIPI-GOTSBHOMSA-N 436.353 5.360 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCc2c[nH]c3cc(F)ccc23)cc1 101379446 CZQSIYCXGVGQBA-WCTVFOPTSA-N 443.547 6.321 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OCCO)CC[C@]4(C)[C@H]3CC[C@@]21C 118931682 NPYXBHZQVNRAOF-ZLPMDMCDSA-N 430.717 7.405 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1 222878921 QJQBTMLSINUGQX-HXUWFJFHSA-N 426.409 5.763 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 223511698 LCNYJCNXWZEJLM-INIZCTEOSA-N 442.968 5.194 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(CC)cc1 223782886 QEZXAAJWDVYSMQ-QHCPKHFHSA-N 445.003 5.005 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C(C)C 224232561 RVVJDDGZGYLWMU-UHFFFAOYSA-N 432.520 5.608 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224244363 JYICRBICVJEBQA-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1C 224284857 FYVBNJYBZAHGNO-LOSJGSFVSA-N 430.621 6.182 0 40 IKAB CC(C)c1ccccc1N(Cc1ccc(C(=O)NCC2CCCCC2)cc1)S(C)(=O)=O 224842290 SDLMPNJJLJIJJP-UHFFFAOYSA-N 442.625 5.086 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225014110 DNCANFOOMKOBAW-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225512222 UGWSKXKPFIOCMX-WIOPSUGQSA-N 438.612 5.185 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225527947 XFBIKGKSBKRPQX-NZQKXSOJSA-N 426.626 5.118 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCCC4)cc3)CCCCC2)cc1 225542537 ZYBJRCJTXZKFEM-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccc(Cl)cc2)n1 225935754 MPSAKRJQHWRSFN-LBPRGKRZSA-N 443.926 5.014 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CC[C@H](c4cc(Nc5nc(C)c(C)s5)cc(C)n4)C3)c2c1 257209753 BRSWJWHSCHTBDB-KRWDZBQOSA-N 446.580 5.021 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 408564659 ZWVGHNCVGMJYSY-PTGBLXJZSA-N 433.935 6.476 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1 408609905 PJHAXCQFBFFLKA-GOSISDBHSA-N 438.471 5.102 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)cc1 408698593 OIVKJBAOZPJNCO-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 408703815 YGHFMFANIOMKDX-FQEVSTJZSA-N 433.617 6.991 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C1=O 409076181 ZDMSNYONEFLMJE-UEMWTREESA-N 433.938 5.089 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409249762 VMYSTKDIVDDHLP-YVLHZVERSA-N 433.678 6.004 0 40 IKAB CCCCCc1ccc(C(=O)N2CCCCCCCCN(C(C)=O)c3ccccc3C2)cc1 643587618 IZQLGZUIGUCVPV-UHFFFAOYSA-N 448.651 6.769 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037835005 QPEURTQPNNIPQK-INIZCTEOSA-N 426.948 5.239 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1 885304 ZSYVRMJUDIXPSQ-UHFFFAOYSA-N 429.467 5.300 0 40 IKAB C[C@H](NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)c1ccccc1 885355 IVWSKJSGLUWAKD-AWEZNQCLSA-N 443.494 5.231 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1C 900597 VGUIMZHMEYHSJC-UHFFFAOYSA-N 428.561 5.341 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2OCC)c(OCC)cc1NC(=O)c1ccccc1 928866 JMHKWSBKSHJPFC-UHFFFAOYSA-N 448.519 5.387 0 40 IKAB Cc1cc(C)c2[nH]c3nc(SCC(=O)N(c4ccccc4)c4ccccc4)nnc3c2c1 976832 DTRINAJCRRHMPG-UHFFFAOYSA-N 439.544 5.580 0 40 IKAB O=C(Cc1ccccc1)Nc1ccccc1C(=O)OCC(=O)c1ccc(-c2ccccc2)cc1 2068066 DGLNPLZFHQWNGV-UHFFFAOYSA-N 449.506 5.575 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1NC(=O)NC(=O)C(Cl)=C(Cl)Cl 2151373 GFKKOPDWPLZGCY-UHFFFAOYSA-N 443.501 5.490 0 40 IKAB COc1ccc([C@@H]2N[C@@H](C(=O)O)CS2)cc1COc1c(C)cc(Cl)cc1C(C)C 2260700 YNLQBLLKNVJCCJ-WIYYLYMNSA-N 435.973 5.148 0 40 IKAB COc1cccc(N2CCN(C(=O)N3c4ccccc4Sc4ccccc43)C[C@H]2C)c1 2269482 SASIHYJRVRVPCN-GOSISDBHSA-N 431.561 5.629 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nn1c(-c2ccccc2)nc2ccccc2c1=O 2308296 HEGYRDWTQXLSHS-UHFFFAOYSA-N 425.275 5.146 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(CCC2=CCCCC2)c2nc3ccccc3nc12 2336373 GDLVQJKUTRBHOX-LJQANCHMSA-N 447.627 6.002 0 40 IKAB Cc1sc2nc(SCc3c(F)cccc3Cl)n(Cc3ccco3)c(=O)c2c1C 2394863 QMQBVSWSBLJOGG-UHFFFAOYSA-N 434.945 5.801 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccccc3Cl)ccc12 2434028 FSXJCCSSVLSUAR-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB biogenic COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)C)cc1)c1ccccc12 2502145 CNFAPVOWCWDDTI-UHFFFAOYSA-N 437.517 5.605 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccc(F)cc4)ncnc32)cc1 2715212 LZJQLOOESYFBKB-UHFFFAOYSA-N 438.506 6.237 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(C3CCCCC3)C3CCCCC3)c3ccccc3n2)c(C)c1 2739703 USOKQRMUPYMTDV-UHFFFAOYSA-N 440.631 7.626 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1C 2739775 NHIDUJSYGDIWLO-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc12 3015953 VAGHFSCPNUWTRA-UHFFFAOYSA-N 443.812 5.310 0 40 IKAB O=C(Cc1sc(-c2ccccc2)nc1-c1ccccc1)Nc1cccc(C(F)(F)F)c1 3047466 JJOWMMPZBJZCCX-UHFFFAOYSA-N 438.474 6.677 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@]3(c3ccccc3)C2=O)cc1 3146075 RNOHEJPLQGHZGB-CLRKOJPHSA-N 441.530 5.713 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)Nc1ccc(Cl)cc1 3245380 SDKZOJDNNQDCOU-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2cccc(Oc3ccccc3)c2)c1 3295684 GIBYUYUIUGBSLR-UHFFFAOYSA-N 427.909 5.650 0 40 IKAB Clc1ccc(-c2nnc(CSc3ncnc4scc(-c5ccccc5)c34)o2)cc1 3335986 FZQVYKFEWAULHK-UHFFFAOYSA-N 436.949 6.354 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@@H](C)C2 8445626 VOTWFPMDYCKKCG-CQSZACIVSA-N 438.980 6.339 0 40 IKAB Cc1c(C(=O)N(Cc2nnc(-c3ccc(Cl)cc3)o2)C2CC2)oc2c(Cl)cccc12 8825770 HFZKBTLCTFLWJK-UHFFFAOYSA-N 442.302 5.903 0 40 IKAB Cc1cccc2sc(NC(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)nc12 8854468 APSCKHBRZWKAGM-UHFFFAOYSA-N 446.022 6.188 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2c(OC)ccc4ccccc24)N3)C1 8919930 TVOSNIIORABCIE-MWTRTKDXSA-N 434.605 6.880 0 40 IKAB CCc1cccc(NC(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)c1 9095735 PBCQNWULJOMIIL-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccccc2)n1 9193186 ROWHAZXJIFTHBM-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB O=C(OCc1csc(-c2ccccc2)n1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 9283853 VLKJXCHMUYTZLH-UHFFFAOYSA-N 440.952 5.059 0 40 IKAB O=C(CSc1ncnc2c1cnn2Cc1ccccc1)c1ccc(Cl)c(Cl)c1 9291984 ZDWRNDIGFIQIDO-UHFFFAOYSA-N 429.332 5.156 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)c(C)c2)c1 9361230 SEUALHTZMXFLNX-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccccc1Cn1cc(SCC(=O)Nc2cccc3ccccc23)c2ccccc21 9394401 AKYSALBNALTFIS-UHFFFAOYSA-N 436.580 6.882 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9411308 CDOINBIYEKVHCV-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2 9416493 HCAMQWVYAQYVKQ-UHFFFAOYSA-N 430.617 6.260 0 40 IKAB Clc1cccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)c1 9463509 JCNBIHRBTGJMQT-UHFFFAOYSA-N 435.712 6.052 0 40 IKAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(C)s1 9884300 MLRFXGBMWQNDDZ-UHFFFAOYSA-N 447.862 5.182 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1cc(Br)ccc1Cl 10120009 FFMREQSEAUDYNL-UHFFFAOYSA-N 441.712 6.087 0 40 IKAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)Nc1ccccc1Br 10740865 JTPXDSIBIFRWHT-UHFFFAOYSA-N 430.302 5.146 0 40 IKAB CCN(C(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1C1CC1)c1cccc2ccccc12 12873923 VDHMUBQDCLIENZ-QGZVFWFLSA-N 443.576 5.362 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1sccc1-c1ccccc1 13071868 IIBJQUCOUVHTDS-UHFFFAOYSA-N 439.583 6.634 0 40 IKAB O=C(Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1)c1n[nH]c(=O)c2ccccc12 13148475 IWACPHXWWCVXKE-UHFFFAOYSA-N 430.533 5.347 0 40 IKAB Cc1cccc(NC(=O)N(Cc2ccc(Cl)cc2)Cc2nc3ccccc3c(=O)[nH]2)c1 13511427 LUPDCZLIZRGUDH-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB CCC(C)(C)NC(=O)CSc1nc(-c2ccccc2F)nc2c1cnn2-c1ccccc1 13561697 BOWHCGJEZYIIIW-UHFFFAOYSA-N 449.555 5.019 0 40 IKAB C/C(=C\C(=O)Nc1ccc(SC(C)(C)C(=O)Nc2cccc(Cl)c2C)cc1)C(=O)O 13579150 IAOVDVAKHPGUOX-OUKQBFOZSA-N 446.956 5.127 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2C(=O)O)ccc1NC(=O)c1ccc(Cl)c(Cl)c1 13942875 HLKDFAPFFJWNLY-UHFFFAOYSA-N 443.286 5.505 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c(C)c1 13942939 DKZJACXEOMMXKP-SANMLTNESA-N 433.935 5.273 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3ccc(Cl)cc3Cl)n2)cc1 13960478 QMZCKCWUDLOIDT-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(C)c(C)c3)c2C)cc1C 13960726 GXBFSGXSNAXGDK-UHFFFAOYSA-N 432.970 7.600 0 40 IKAB COc1ccc(NC(=O)c2c(NC(=O)c3ccc(C)cc3)sc3c2CCC3)cc1Cl 15277164 GXTIQZHPDZYUQC-UHFFFAOYSA-N 440.952 5.712 0 40 IKAB CC(C)c1ccc(NC(=O)c2cccn(Cc3ccc(Br)cc3)c2=O)cc1 15882877 HZHLKCOTWJFHLM-UHFFFAOYSA-N 425.326 5.035 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)C1 16156504 NFPKEWMHXBQXSX-AVIIBGNQSA-N 426.944 5.131 0 40 IKAB Cc1cc(Nc2cnn(C34CC5CC(CC(C5)C3)C4)c(=O)c2Cl)ccc1Br 16282236 YULBASCDIDKHRH-UHFFFAOYSA-N 448.792 5.637 0 40 IKAB Cc1ncc(-c2nc(NC(C)C)cc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)s1 19287356 HHKFHRZRQPQVRF-GOSISDBHSA-N 427.618 5.015 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(O)cc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 20058992 MFEDTFBAOZQMPM-XDHUDOTRSA-N 441.487 5.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccccc3Cl)cc2Cl)cc1 20453298 LFMWLHDWEJECMK-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 21005554 RNXGMCZHIWHKJK-HSZRJFAPSA-N 429.907 5.679 0 40 IKAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)c1 21579561 YEPJRBNXXBIJIZ-UHFFFAOYSA-N 437.908 5.284 0 40 IKAB CC[C@H](c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1)N(C)C 23983190 SBPRRODYBPAACX-OAQYLSRUSA-N 449.649 5.755 0 40 IKAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccc1Oc1ccccc1Cl 24401282 HGIHWCYKKMEUFK-UHFFFAOYSA-N 445.862 5.227 0 40 IKAB CCN1c2cc(F)c(F)cc2N[C@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@H]21 27062564 XJHWBHNGPXTZCD-PUPHMTLISA-N 434.527 5.364 0 40 IKAB CCCCNC(=O)CSc1ncnc2scc(-c3ccc(Br)cc3)c12 28232554 VRISOOWIENAMOI-UHFFFAOYSA-N 436.400 5.129 0 40 IKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cncn1-c1ccccc1 29434972 DMMJPZPAWQWFTF-UHFFFAOYSA-N 447.560 5.184 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1-c1ncc(-c3ccccc3)o1)CC2 31239111 JGNCYXFPOCSJFQ-UHFFFAOYSA-N 440.499 5.224 0 40 IKAB CCCCOc1ccc(NC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)c2cccnc12 32622566 BJJATRKHQHVRIZ-UHFFFAOYSA-N 436.895 5.734 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)cc1C 33775788 YWDYYQUTIULXTC-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccccc4Cl)o3)SC2=S)cc1 35039623 AZGHAAZCNLSQCJ-MOSHPQCFSA-N 425.962 6.568 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)/C=C/CC(C)C)C1 36454497 CJUZRVVXJPNXNH-HYOPEJMISA-N 426.685 7.736 0 40 IKAB CCCn1ncc2c(C(=O)Nc3ccc(-n4ccnc4C)c(Cl)c3)cc(C3CC3)nc21 36616336 KFQWKZHSHMIGHG-UHFFFAOYSA-N 434.931 5.119 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OCC 39758701 YBERMLWWFRGPNX-GOSISDBHSA-N 445.003 5.227 0 40 IKAB O=C(N[C@@H](Cc1ccc(F)cc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 40710584 SPOFFSUHDCOUGW-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB CN(Cc1ccccc1NC(=O)c1cc(-c2ccccc2Cl)on1)C(=O)OC(C)(C)C 57995921 DPVJNVAPYXPPSP-UHFFFAOYSA-N 441.915 5.614 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1NCc1ccc(Br)cc1)N1CCCCC1 67288480 QNCJRYCQYWTRPM-UHFFFAOYSA-N 442.332 5.375 0 40 IKAB COc1ccc(-c2nc(CC(=O)N[C@@H]3CCCc4c3[nH]c3ccc(OC)cc43)cs2)cc1 96223575 VFYVHGLBBLFGMW-JOCHJYFZSA-N 447.560 5.045 0 40 IKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)cc3)c(F)c2)CC1 100003511 SYCNHFWYTQQMNG-LZTDGCSZSA-N 448.710 10.421 0 40 IKAB Cc1ccc(C(=O)[C@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)N[C@H]2c2ccccc2F)cc1 102429801 VMKHXZYXIDXLPX-GOTSBHOMSA-N 430.479 5.048 0 40 IKAB CCCCc1ccc(N/C=C2/C(=O)N(c3ccccc3Cl)C(=O)c3ccccc32)cc1 103004734 WMLRAGQWHLFEQS-OQKWZONESA-N 430.935 6.323 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](C)NC(=O)c3ccc(Cl)c(Cl)c3)n2C)cc1 107749785 AYPJTOQTEAGKBO-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222676585 DNJJPQCHYDTLAO-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222885716 ICOQQJBJTUORAM-WOJBJXKFSA-N 430.499 5.274 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C 223397597 GOWDMCOARVLXIA-IZZNHLLZSA-N 438.600 5.662 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224657827 NGWOXTQWOJGRCA-RPBOFIJWSA-N 441.556 6.261 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 224757136 URQKIEIXUNQHQG-UHFFFAOYSA-N 435.951 6.520 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 225138009 YTXJTCJJRGMNLM-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225193440 ZYXWXOSBQSIRNN-NRFANRHFSA-N 435.395 5.178 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1Cl 225570305 BJDNMSHDEOIQQJ-UHFFFAOYSA-N 445.987 5.529 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccccc2Cl)c1C 225607505 YOUCWLAVIKYPCQ-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB O[C@@H]1CCN(c2ccccc2F)C[C@H]1[C@H](Nc1cccc(F)c1)c1ccc(F)c(F)c1 257319480 VSTJOUBLULAEDT-DQMJNTIXSA-N 430.445 5.284 0 40 IKAB COc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408578194 WQGHEQJUITYLCV-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 408609900 PITBNQDMRSOZMK-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408681523 XCPPIQYPIHZJGO-HSZRJFAPSA-N 436.939 5.109 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408696697 DQEBYVMPGIFHMX-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cc(Cl)ccc2C)cc1 408696770 FCCZTWMMOIDTPU-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CC(C)CCC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 408958414 YQCWTNLAEOHXBU-APPDUMDISA-N 441.277 5.036 0 40 IKAB CCOC(=O)N[C@H](CC(=O)Nc1ccc(Br)cc1C(C)C)c1ccccc1 408978253 HJGVQTHZBLWBMU-LJQANCHMSA-N 433.346 5.389 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O[C@@H](C)CC 409073631 WPFZXMAHWFFWQY-YRIIZNAFSA-N 446.906 5.148 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 409089678 ORDAVVBBSBRHOT-UHFFFAOYSA-N 446.551 5.290 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409099183 SJXCSAIEZNRKPO-SITPEIFSSA-N 447.512 5.017 0 40 IKAB CCc1sc2nc(SCC(=O)c3ccccc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409120680 VKERRJMHHWWOHA-UHFFFAOYSA-N 434.586 5.601 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409221413 PXPZIRFXNQZIKU-PBSOMRJOSA-N 449.732 5.377 0 40 IKAB CCCCc1ccc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1 409261712 ANRRZHMNZICQKW-UHFFFAOYSA-N 436.577 5.172 0 40 IKAB CCOc1cc(OCC)cc(C(=O)N(Cc2ccccc2)Cc2ccc(C(=O)O)cc2)c1 585091746 IKANQZAILNJUAX-UHFFFAOYSA-N 433.504 5.025 0 40 IKAB O=C(CCC1CCC1)N1Cc2ccccc2NCC[C@@H]2CC[C@H](C1)N2Cc1ccccc1 643567019 PVKRDFJLAGGPNO-IZZNHLLZSA-N 431.624 5.444 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@@H]1CCCC[C@H]1C(=O)O 627553 QKLUKMGTPWHKOV-ZIAGYGMSSA-N 435.307 5.075 0 40 IKAB COc1cc(NC(=O)c2cccc3ccccc23)ccc1NC(=O)c1cc2ccccc2o1 677993 IUIXFMNAHXJUQD-UHFFFAOYSA-N 436.467 6.099 0 40 IKAB CCOc1ccc2cc(-c3csc(Nc4cccc(C(F)(F)F)c4)n3)c(=O)oc2c1 856353 DVOGCYSMSYIPHH-UHFFFAOYSA-N 432.423 6.078 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 885057 GITWSWNWWNGORF-NRFANRHFSA-N 449.620 5.140 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2ccc(Cl)c(C)c2)n1CC 916055 XHNJKEWMBMUURA-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)Cc1cccs1)c1ccccc1F 1333718 ZPPUSLXMZVOLDJ-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@](C)(CC)OC3 1822621 NKZSZPFVABVZCM-XMMPIXPASA-N 442.650 6.361 0 40 IKAB O=C(c1ccccc1)c1ccc2c3c(cccc13)C(=O)N(c1cccc3ccccc13)C2=O 2060571 WYIXVHZCAFOWIQ-UHFFFAOYSA-N 427.459 6.025 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccccc1Oc1ccccc1 2639374 CDXQZKRWUUDJLB-UHFFFAOYSA-N 442.544 5.668 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CC[C@H](CC)C2 2708293 OLOYXLKTUCQNTB-RZXPCSSPSA-N 443.565 5.109 0 40 IKAB Cc1cc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)cc1 2765882 NWXOQBAQXMLXDK-XMMPIXPASA-N 447.991 6.365 0 40 IKAB COc1ccc(Sc2nc(SCc3ccc(Cl)cc3Cl)ncc2OC)cc1 3133202 OIJLMBUOKITRGS-UHFFFAOYSA-N 439.389 6.244 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1 3213079 PLANTTGHZSOKKY-XIEYBQDHSA-N 434.942 6.649 0 40 IKAB Clc1ccc(SCc2nc(NC3CCCCCC3)c3c4c(sc3n2)CCC4)cc1 3282280 IOPCKTDOSONLQN-UHFFFAOYSA-N 444.069 7.260 0 40 IKAB Cc1nn(Cc2ccccc2)c2sc(C(=O)Nc3ccccc3Cc3ccccc3)cc12 3297013 OPESNLJYRCBXQR-UHFFFAOYSA-N 437.568 6.298 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)N(C2=N[C@@H](C)CS2)c2ccc(Cl)cc2)cc1 3327078 QDDFRQRQARXDDY-HNNXBMFYSA-N 430.957 5.226 0 40 IKAB CCCCCCOc1ccccc1/C=C/[C@@]12NC(=O)CCN1c1ccc(C)cc1C2(C)C 4000120 PLCOJLWQCNEPCO-MGZHDZRPSA-N 432.608 5.981 0 40 IKAB biogenic CC[C@]1(C)C[C@](CCNCc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 4027798 OCZJOJKHSMJOSE-CLJLJLNGSA-N 427.585 5.109 0 40 IKAB biogenic CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1 4295852 JDZKHMFWSIVDHP-AWEZNQCLSA-N 430.357 5.741 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C)oc2cc1OC(C)=O 6143320 AQDASCSKQKHQGP-UHFFFAOYSA-N 432.520 5.703 0 40 IKAB biogenic O=C(CSc1nnc(CNc2ccccc2Cl)n1-c1ccccc1)c1ccccc1 6446020 PQIVJCWIGLUAKY-UHFFFAOYSA-N 434.952 5.508 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)cc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1 8426415 SRUGWLZRNSAQHW-UHFFFAOYSA-N 438.534 7.263 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccccc3)CC1)N1N=C(c3ccccc3)C[C@@H]21 8717740 BCNHOXYWCKGSTG-VWLOTQADSA-N 439.559 5.231 0 40 IKAB CC[C@@H](c1nnc(SCC(=O)c2cc3ccccc3o2)n1Cc1ccccc1)N(C)C 8751654 LUPVQUUBYMSFSW-IBGZPJMESA-N 434.565 5.060 0 40 IKAB COc1ccccc1C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2c(OC)cccc12 8769052 CHUJWRQIFGYRNG-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB biogenic COc1ccc(C(=O)Oc2ccc3c(C)c(-c4ccc(OC)c(OC)c4)c(=O)oc3c2)cc1 8824068 NDCWMKPUJPPJEN-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic Cc1ccc(C)c(OCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828295 FWYWDIKJZQEQMQ-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB COc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 8829053 UJUKOPKOKIYXDJ-UHFFFAOYSA-N 447.560 5.146 0 40 IKAB Cc1ccc(NC(=O)c2c(C)c(C)n(Cc3ccccc3)c2NC(=O)c2ccccc2)cc1 8836345 YIDQCCZPCFQJOE-UHFFFAOYSA-N 437.543 5.966 0 40 IKAB CCCCOc1c(Cl)cc(C(=O)N(Cc2ccccc2)c2ccccn2)cc1Cl 8845942 OKAJYDORXFTODR-UHFFFAOYSA-N 429.347 6.414 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)cc3Cl)C[C@@H]21 9033119 ILMDZPHZUORDBY-CVDCTZTESA-N 447.362 5.831 0 40 IKAB biogenic COc1cc(C(=O)Nc2oc3ccccc3c(=O)c2-c2cccc(C)c2)cc(OC)c1OC 9253674 UTXNLQOMVJICJZ-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB Cc1c(Cc2ccc(Br)cc2)c(=O)n2c3ccccc3nc2n1CCC(C)C 9262078 UKIDMELGWHOTID-UHFFFAOYSA-N 438.369 5.357 0 40 IKAB CC(C)C(=O)N1CCN(c2ccccc2NC(=O)c2cccc3c(Cl)cccc23)CC1 9289111 YDMYGAUOOGVBCV-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB CC(C)c1ccc([C@H]2C[C@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292688 PKHQQOBSUHZADT-ISKFKSNPSA-N 436.386 7.613 0 40 IKAB CC(=O)Nc1nc(-c2ccc(C)cc2)c(NC(=O)c2ccc(Br)cc2)s1 9482846 CKZGTUSKGCDUAU-UHFFFAOYSA-N 430.327 5.092 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1-c1ccccc1)C(=O)N1CCc2ccccc2C1 9833963 IKWNHCOSCFQMBB-KRWDZBQOSA-N 446.601 5.061 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2cc1C 10120330 DSOOCGKBHAXRIM-UHFFFAOYSA-N 446.375 5.737 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4C)cc3C[C@@H]2C)cc1 10326561 CTMGWNKGNOQHPU-SFHVURJKSA-N 434.561 5.004 0 40 IKAB Cc1cccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)o2)c1 12419145 WLJWLFPVOASGKN-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB C[C@@H]1CCC[C@H](NC(=O)CCCC(=O)Nc2ccc(OCCc3ccccc3)cc2)[C@@H]1C 12465650 HASBTLLFIJYYAW-OTPAQWSUSA-N 436.596 5.358 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H](C)Oc2cccc(C)c2)c1 12817459 BHKDGTPAASSGNJ-LEWJYISDSA-N 430.548 5.511 0 40 IKAB CCC[C@H](NC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 12820912 KMRJXAUNYVZARD-KRWDZBQOSA-N 446.370 5.249 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 12982788 RQDLBBOHMYHMRC-NRFANRHFSA-N 432.998 5.366 0 40 IKAB CN(Cc1ccccc1Cl)Cn1nc(-c2ccccc2)n(-c2ccc(F)cc2)c1=S 13073792 SYFXLMYJFPZARP-UHFFFAOYSA-N 438.959 5.952 0 40 IKAB COc1ccc([C@@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)c2ccccc2)cc1 13117517 MKYDRZHCVKEDQX-DEOSSOPVSA-N 442.540 5.528 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1nc(-c2ccc(F)cc2)cs1 14377245 XUPRHVIGAWIHNR-UHFFFAOYSA-N 431.851 5.957 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccc(C(=O)Nc4c(C)n[nH]c4C)cc3)sc2c1 14404463 OXWBOYJBWLPCGE-UHFFFAOYSA-N 438.940 5.708 0 40 IKAB C[C@@H]1CC(C)(C)N2C(=O)[C@]3(SCC(=O)N3c3cccc(C(F)(F)F)c3)c3cccc1c32 14671879 KZMXARTWDDEFJL-MCMMXHMISA-N 446.494 5.271 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccc(F)c2)Nc2nc3ccccc3n21 16284921 XFJKJXUDJIDMTJ-XMMPIXPASA-N 426.495 5.829 0 40 IKAB O=C(Nc1ccc(-c2nc3c(ccc4ccccc43)o2)cc1)c1cccc(Cl)c1Cl 16526131 UITZRKCVVKNVED-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 16611197 ONPWGFKULIPBJY-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2O)S1 16754531 FGZKZBVQBIGZJA-IAQXYPRLSA-N 441.512 5.087 0 40 IKAB COc1cccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c1 17096352 GXKCAPIBIMQYIO-UHFFFAOYSA-N 429.328 6.531 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(Cl)cc1C 17102845 QQQLIZLOTUPUEN-UHFFFAOYSA-N 438.936 5.951 0 40 IKAB C[C@@]1(C2CCN(C(=O)CCc3ccccc3)CC2)CCCCN(CCc2ccccc2)C1=O 19696189 JBQQMJWIEYSRDD-LJAQVGFWSA-N 446.635 5.119 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1Cl 20112133 NHRFNFMHNQDNRZ-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB Cc1ccc(/C=C2/SC(=O)N([C@@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 20266045 BAKFGHKRERNNBA-WSYSLRRZSA-N 433.788 5.214 0 40 IKAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20495531 GWSYGNSTSJKZMM-DEOSSOPVSA-N 429.560 6.320 0 40 IKAB CC[C@@H](C)c1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)Cc2cn(CC)nc2C)cc1 20614302 FYWVRDKPQDSDDX-GOSISDBHSA-N 443.588 5.255 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(F)cc3)nnc2c1-c1cccc2ccccc12 20672765 UPGQKXPHEURKOR-UHFFFAOYSA-N 425.467 5.207 0 40 IKAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(Oc3ccccc3)c1)SCC(O)=N2 20714615 XAVASKTZHIKNMU-NRFANRHFSA-N 429.505 5.187 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNC2C3CC4CC(C3)CC2C4)cc1 22073716 UMZLQQUTUHRWMA-UHFFFAOYSA-N 432.007 6.987 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Br)cc2)c(=O)c2cc(C(F)(F)F)ccc21 22236764 JARDWWDLKCGXGI-UHFFFAOYSA-N 439.231 5.055 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccc(Oc2ccccc2)cc1)c1cccc2ccccc12 22273764 QDFFAOYGIJUPMU-UHFFFAOYSA-N 446.528 5.037 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(-c4nc(-c5ccc(C)s5)no4)c3)no2)cc1 32594158 CANIAOJYBJVSPG-UHFFFAOYSA-N 442.500 5.989 0 40 IKAB O=C(Oc1ccc(Cl)cc1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 32624098 JUJPOZWNXIAKAT-UHFFFAOYSA-N 425.724 5.948 0 40 IKAB COc1cccc(OCCCn2c([C@H]3CC(=O)N(c4ccccc4)C3)nc3ccccc32)c1 35167740 SGQCHKKOPLESGH-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB Cc1cc(C)n(CCN(C(=O)CSc2ccc(F)cc2)c2nc3ccccc3s2)n1 35597609 JRRMAMGMPXEUQZ-UHFFFAOYSA-N 440.569 5.074 0 40 IKAB COc1cc(NC(=O)Nc2nc(-c3ccc(Cl)s3)cs2)cc(OC)c1OC 44224846 KAHUBRPMNJHLQP-UHFFFAOYSA-N 425.919 5.195 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccco1)c1ccc(F)cc1F 58014225 NQGKMZHVVNRZLD-UHFFFAOYSA-N 437.446 5.149 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)[C@H](c1ccccc1)c1cc(Cl)ccc1O 59483602 LYVGQJAHXBQXED-RUZDIDTESA-N 427.931 6.083 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccccc1Br)N1CCSCC1 64471942 QXZCXCXYWQIVSJ-UHFFFAOYSA-N 446.345 5.069 0 40 IKAB CCOC(=O)C1=C(C)N2C(=NC3=C(CCC/C3=C/c3ccccc3)[C@H]2c2ccccc2)S1 67172427 UFSZFJVOVRAILX-VKCJIPKCSA-N 442.584 6.462 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2Cl)c2ccccc21 72193878 FRZOIZFBFBYKLX-DEOSSOPVSA-N 440.326 5.309 0 40 IKAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OCc1ccccc1 72214529 FCUDVJIKRNRAOO-HXUWFJFHSA-N 425.529 5.317 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230051 DENPFPUBTGMQAN-NRFANRHFSA-N 446.728 5.202 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359470 CJZZIBVHAZCTMV-HXUWFJFHSA-N 439.481 5.501 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 107977676 DPOSHJZKQPFTKR-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](SC(=N)N)CC[C@]4(C)[C@H]3CC[C@@]21C 118934612 TVHARYBPHHUEHF-DTHNQABZSA-N 444.773 8.023 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 222455341 QWZLOBPANBZLNH-QHCPKHFHSA-N 438.612 5.003 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)c1 222943956 OFIOPKIEYPSXEQ-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)c1 222984479 KULBDTHKZAKOPI-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 223563123 CXZZNRDWCGZDJY-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@H](C)C(=O)NC1CCCC1 223757897 WBYRXLUERZZWHP-GOSISDBHSA-N 445.028 5.217 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223779986 ZOAXGESRCNKWFW-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)c1 223840798 JCPOPAPXSCVCPI-UHFFFAOYSA-N 447.965 5.220 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052891 YKNAJBRSEIUWBU-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441216 RFRIOTNEXZIQFI-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1cccc2ccccc12 224632268 WXFZEWKJOLZMJD-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1CSc1ccc(C)cc1 224664432 ZPHBCINGXQXUPR-UHFFFAOYSA-N 435.545 5.710 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(NC(C)=O)c3)o2)cc1 224913858 IPYAORHEPXCZQA-UHFFFAOYSA-N 427.460 5.228 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1 225036862 UUAAUDBHUICOKX-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1ccc(CCC(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1C 225170240 SSTCQGJRKOCRSQ-UHFFFAOYSA-N 425.981 6.521 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225585173 NTBFIXWSODOLLG-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c2ccccc12 225845346 AJQIJWXHTVIUSS-NRFANRHFSA-N 427.629 7.213 0 40 IKAB Brc1ccc(-c2nc3cc(Br)cc(Br)c3[nH]2)cc1 226343072 GTCRAGZXDDSRTN-UHFFFAOYSA-N 430.925 5.517 0 40 IKAB CCc1nn2c(nnc3c(=O)n([C@@H]4CCC[C@H](C)[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 253566636 JEKXOKWIBQTQDH-QMTMVMCOSA-N 435.959 5.319 0 40 IKAB O=C(c1ccccc1CN1CCCC1)N1[C@H]2CC[C@H]1CC(Cc1ccc3cnccc3c1)C2 257249345 JHVCANSIBUOTTR-SVBPBHIXSA-N 439.603 5.457 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@@H]1c1n[nH]cc1-c1cccc(Cl)c1 257285949 PJNDVBLPFPAPQG-OAQYLSRUSA-N 444.926 5.241 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccccc1 408562951 SMORNZQZWANKHH-LNVKXUELSA-N 429.383 5.693 0 40 IKAB Cc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 408606084 LMINXRQPQBAMBE-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(Cl)cc1 408608471 LSIZFKJIBITUEW-UHFFFAOYSA-N 432.303 5.891 0 40 IKAB O=C(O)/C(=C/c1ccc(Br)cc1)Sc1nnc(-c2ccc(Cl)cc2)o1 408631728 BGFOUDOFVUDLSF-ZROIWOOFSA-N 437.702 5.370 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(Cl)cc3)sc2c1)c1ccccc1Cl 408750479 NQOGHEJNASFQEY-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc(Br)c1OC 408806783 BGEOUQUZGSBINZ-WJDWOHSUSA-N 434.311 5.097 0 40 IKAB CCOc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1c(C)cc(C)cc1C 409093008 YLAYNTXQYPVZEX-YSMPRRRNSA-N 445.584 6.675 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(OC)cc2)nc1-c1cc(C)ccc1C 409199640 PUIJAIPNZKDBBL-UHFFFAOYSA-N 436.577 5.990 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccncc2)n1-c1cccc(Cl)c1 1223944 ISVFDIMJDNANEQ-INIZCTEOSA-N 449.967 5.410 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)Nc3ccccc3)ccc2Cl)cc1 2069804 NOKLFHWKONXUJK-GOSISDBHSA-N 434.967 6.533 0 40 IKAB FC(F)(F)c1cccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)c1 2083450 UNMPQGVSXCWFIW-UHFFFAOYSA-N 440.494 5.704 0 40 IKAB Cc1ccc2c(c1)N(C(=O)CSc1nncn1C)C(C)(C)c1ssc(=S)c1-2 2085972 UDMYDZOHMHAOLI-UHFFFAOYSA-N 434.637 5.017 0 40 IKAB CCc1ccc(-c2c(C)sc(NC(=O)COc3ccccc3Cl)c2C(=O)OC)cc1 2088790 WRFDVKHKSOGTMS-UHFFFAOYSA-N 443.952 5.743 0 40 IKAB Cc1ccc(C(=O)c2ccccc2C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)cc1 2646235 PLGSUDZFBLROFL-UHFFFAOYSA-N 432.863 5.286 0 40 IKAB COc1ccc(/C=C/C(=O)Oc2cc(-c3ccc(OC)cc3)c3oc(=O)sc3c2)cc1 2678070 OGDFZHFRNILQKJ-LFYBBSHMSA-N 434.469 5.158 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccccc1OC 2690618 YIDNENBFMCWXTR-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CCCCCCCCCC3)c1 2752449 YYNHSHGVQASPQY-UHFFFAOYSA-N 443.609 6.405 0 40 IKAB Cc1ccc(Sc2c(COC(=O)c3cccc(C)c3)c(-c3ccccc3)nn2C)cc1 3135111 OWACPYCUBMFNIA-UHFFFAOYSA-N 428.557 6.212 0 40 IKAB CCN(C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccccc1 3396245 MUOYFIKBFFXFBU-UHFFFAOYSA-N 429.954 5.750 0 40 IKAB CC(C)(C)c1cc(CCC(=O)OCC(=O)c2cccc(Cl)c2)cc(C(C)(C)C)c1O 3408354 WQAAZOTZYPTINB-UHFFFAOYSA-N 430.972 5.999 0 40 IKAB Cc1nn(Cc2ccc(Cl)c(Cl)c2)c(C)c1NC(=O)c1noc2c1CCCCC2 4079743 SDNNNNQMCGTKSH-UHFFFAOYSA-N 433.339 5.364 0 40 IKAB C[C@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 8455660 GTTTUPHLIOHOKJ-KLSSDNRTSA-N 446.635 5.629 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 8915815 WYDWJMQMFJGKSA-IBGZPJMESA-N 445.950 5.576 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 9209592 DTKXPRHXFXKHLT-JOCHJYFZSA-N 430.891 5.516 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 9408861 BCOIODGEMVURSC-QFIPXVFZSA-N 439.559 5.621 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)Nc1ccc(F)cc1)c1ccc(Cl)cc1Cl 9425665 ZHZOLYRYCVTIHM-UHFFFAOYSA-N 437.685 6.291 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1ccc(Cl)cc1)Cc1ccco1 9431912 XGTCWRVHPQEXAO-UHFFFAOYSA-N 434.717 5.303 0 40 IKAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@H]2CCOC(C)(C)C2)cc1 9432026 CELZCUZCXWCFLQ-AVRDEDQJSA-N 443.613 5.275 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)CC1 9512626 JDHPWCRJJWGOGT-UHFFFAOYSA-N 438.527 5.039 0 40 IKAB CSc1cccc(NC(=O)Cc2csc(NC(=O)Nc3ccc(Cl)cc3)n2)c1 9784973 GIOOIWXYJXVPMX-UHFFFAOYSA-N 432.958 5.344 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N[C@H](C)c3ccccc3)n(C(C)C)c(=O)c2c1C 9910632 PEBHBEBEHINJLA-ZBFHGGJFSA-N 429.611 5.014 0 40 IKAB CCc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)cc1 10013430 OEAUIHDJOJENFB-HHHXNRCGSA-N 439.584 5.876 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NCCC2=CCCCC2)cc1Cl 10119181 NZNJHGJIXFYUAY-UHFFFAOYSA-N 436.939 5.458 0 40 IKAB CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)c1 11614565 AUXOQMGCKYPVMW-QFIPXVFZSA-N 446.890 5.298 0 40 IKAB CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5ccccc5c4)=NN23)cc1 12195405 XLAVZOQIROYJGL-PXJZQJOASA-N 432.567 7.380 0 40 IKAB CC(C)Oc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 12273723 GCUNXFHHCXMPOA-IXCJQBJRSA-N 426.560 6.840 0 40 IKAB O=C(Nc1c(-c2ccccc2)nc2ccccn12)c1cnc2c(cnn2Cc2ccccc2)c1 12547787 SVODSBJONSQTDH-UHFFFAOYSA-N 444.498 5.047 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@@H]2CCCC[C@H]2C1 12598912 UOQOAZDREOLCDO-VXKWHMMOSA-N 429.564 5.259 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)CC(=O)N5C)c23)cc1 12987617 YUQYHILMILRKMS-UHFFFAOYSA-N 445.569 5.161 0 40 IKAB COc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)c2c1 13129787 RGSMXJRRSQSKPR-UHFFFAOYSA-N 440.455 5.094 0 40 IKAB CCc1cccc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)c1 13138111 QDBPRGVGYAXOPN-UHFFFAOYSA-N 429.467 6.229 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)nc2c(C)cccc12 13400445 LMWXHRVDAXECMF-LJQANCHMSA-N 427.573 6.341 0 40 IKAB Cc1c(NC(=O)c2ccc(-c3ccccc3)cc2)cccc1-c1nc2cc(Cl)ccc2o1 13634915 MVUDSELVLFJRPG-UHFFFAOYSA-N 438.914 7.376 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)cc3)C[C@H]21 13768591 RWYZGOSJNMNCMW-AJTFRIOCSA-N 444.531 5.653 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cccc3C)n2CC)cc1 13871550 WKUKAAKHOBMVIM-SFHVURJKSA-N 438.597 5.348 0 40 IKAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC[C@@H]1c1nc2ccccc2s1 14182725 BNAOWDHXAMYCAE-OAQYLSRUSA-N 432.520 5.992 0 40 IKAB FC(F)(F)c1cc(Cl)c2nnc(SCc3nc(-c4cccc(Cl)c4)no3)n2c1 14636761 DXOFPXLEWBDQKG-UHFFFAOYSA-N 446.241 5.397 0 40 IKAB COc1cccc(C(=O)Nc2ccc3c(C)c(C(=O)c4cc(OC)ccc4OC)oc3c2)c1 15729405 OTYNMWOXAWPYDA-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCCCC[C@@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCCc1ccccc1 16039977 COGZGMNTPXRPRY-LFYATDHWSA-N 441.656 5.779 0 40 IKAB COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@H]2c2ccc(Cl)cc2)cc1 16216964 PBHLZEKBOQMWPC-MHZLTWQESA-N 439.946 6.736 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)c1 17096597 YADKDNJAJOXRFJ-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 17097403 KIWCLDKEPMKAPR-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc2c3c(cccc13)CC2 17098748 KYYUFKCXVWGSCP-DHZHZOJOSA-N 434.322 7.157 0 40 IKAB COc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 19563770 WCSUWSHTFZLUKO-CQSZACIVSA-N 442.441 5.091 0 40 IKAB Cc1ccc(NC(=O)CN2c3ccc(Cl)cc3-c3ccccc3S2(=O)=O)cc1Cl 20063132 INBCATKLDQCCDP-UHFFFAOYSA-N 447.343 5.116 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2)cc1 20462580 ILAFQVDXZRGJRU-SSEXGKCCSA-N 446.594 6.467 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCC(C)CC2)o1 21659861 FIXDYSAZWCVSEK-DEOSSOPVSA-N 447.579 5.325 0 40 IKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1ccc(-n2ccnc2)cc1 24993645 MVYJSBVZIAUNMP-UHFFFAOYSA-N 428.439 5.196 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)ccc1Cl 25899647 ZJELGTUFRPLFTO-HSZRJFAPSA-N 436.964 5.316 0 40 IKAB O=C(Nc1c(-c2ccc(Cl)cc2)nc2ccccn12)c1ccc(Br)cc1 26687851 XWOWDGOPDYZRAZ-UHFFFAOYSA-N 426.701 5.670 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1nn(Cc2ccc(C)cc2)cc1Br 27917203 GPJHJCQGIIUKSQ-UHFFFAOYSA-N 449.736 5.308 0 40 IKAB CCN(C(=O)COc1cccc(C)c1C)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993252 UELFDMOHMWMJAR-NDEPHWFRSA-N 426.560 6.110 0 40 IKAB O=c1c(Nc2ccc(Cl)cc2)nnc(SCc2ccccc2Cl)n1-n1cccc1 28536215 PNXNFZJURMRYCH-UHFFFAOYSA-N 444.347 5.094 0 40 IKAB CC(C)C1=C=CC(O)=C(Cc2cc(C(C)C)cc(Cc3cc(C(C)C)ccc3O)c2O)C1 32067772 YTLVEQYDQLXQMU-UHFFFAOYSA-N 432.604 7.431 0 40 IKAB CCc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 32664944 UKULNWJWIMFNLM-RTBURBONSA-N 445.563 5.188 0 40 IKAB O=C(c1cccs1)N1N=C(C2CC2)C[C@@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32912335 FGODHHBQUCPEDK-MRXNPFEDSA-N 425.897 5.032 0 40 IKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Br)cc3)n2)cn1 44903221 HXKVFXXZHNOUEK-UHFFFAOYSA-N 435.281 5.122 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(C)[C@H](c3ccccc3)c3ccccn3)c12 48301002 ICKKAABYZQTRRC-RUZDIDTESA-N 434.499 5.455 0 40 IKAB COc1cc([C@@H](C)NC(=O)N[C@H](C)c2ccc(OC(C)C)c(OC)c2)ccc1OC(C)C 48325567 XBSZNCDHUNGKRY-QZTJIDSGSA-N 444.572 5.400 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)cc1F 57486721 ZCVDQIKYDUCJJJ-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)cc1 59489725 SOYMTWSFKIAMQV-UHFFFAOYSA-N 436.533 5.971 0 40 IKAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@@H](Sc1ccccc1)c1ccccc1 60012470 YNLOXSJWJDOXOG-SANMLTNESA-N 440.568 5.046 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCCC1 72215598 UYEKTUAGTQYIOR-QHCPKHFHSA-N 449.595 6.133 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN21 72332593 BMTFTLPUQWJZKN-NZQKXSOJSA-N 425.315 6.244 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cs1 72350063 KKFIEPKHRRINRA-SFHVURJKSA-N 425.985 5.039 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(Cc3ccc(Cl)cc3)oc12 73642765 NKEMWYKLZZAKDA-UHFFFAOYSA-N 444.554 5.742 0 40 IKAB Cc1cccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2Cc2ccccc2)c1 73690827 CKVPVMQDHANILX-UHFFFAOYSA-N 437.568 6.041 0 40 IKAB Cc1cnc([C@@H](NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C2CC2)s1 78877340 LQWMPDHPMMJYKF-NRFANRHFSA-N 434.590 5.273 0 40 IKAB O=C(N1CCC(c2nnc(-c3ccsc3)o2)CC1)C1(c2ccc(Cl)cc2)CCCC1 96096587 QATOYNFVIQMZTE-UHFFFAOYSA-N 441.984 5.670 0 40 IKAB CCO[C@@H]1C[C@H](O)C12CCN([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 106916151 MCJLBIKREMNEHK-OAUYIBNBSA-N 425.413 5.037 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccccc1 216288795 RPUUJJDFVAYROZ-PMERELPUSA-N 446.594 6.467 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCSc2ccc(Cl)cc2)c(Br)c1 218870035 FGJWKMMDUIEBSV-UHFFFAOYSA-N 442.806 5.513 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 222633822 ANNNYZVPTVEBJP-OUWQEXSBSA-N 439.924 5.283 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)COc2ccc(Br)c(C)c2)cc1C(C)C 223327699 HGMDFKJAIYDIMR-INIZCTEOSA-N 434.374 5.454 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1C(C)(C)C 224171625 KTMMCWLYQUJTKM-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB CCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224623313 MPSXZJNFZYQPHR-HHHXNRCGSA-N 442.603 5.195 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccc(Cl)cc1 224673703 BSMPFNIZRYAFEQ-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224766843 SGDNVOXKMIXSMX-MHZLTWQESA-N 442.603 5.011 0 40 IKAB CCCCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(OC)c3)o2)cc1 224904007 GUDYWEWSOVAQPC-UHFFFAOYSA-N 426.516 6.612 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225172571 JIRJDUJXGAVQDQ-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCSc3ccccc3)c2)cc1 225285114 BVKOPMCLYVLXRH-UHFFFAOYSA-N 448.657 6.294 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCCCC2)c1 225539746 ICSRYOKPJJXXJB-UHFFFAOYSA-N 434.624 5.946 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 225577692 STVUVWSMIUBGOQ-ZJSXRUAMSA-N 440.653 5.340 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(OCc2ccccc2)cc1 225806728 ZHCMWSRYJQZABK-UHFFFAOYSA-N 433.895 5.540 0 40 IKAB 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(C)CCc2ccccc2)C1 253612470 QXDFHJAYYMOLSW-VAYLLNRHSA-N 436.680 7.600 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408637587 ANGOESJJUBOPNI-NRFANRHFSA-N 428.532 5.704 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)C(=O)[C@H]2C1 408684859 PNOOMPVJQKLQMO-SJORKVTESA-N 429.303 5.091 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(Cl)cc2)c1 408697492 JUKPOWCXFKHRFK-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1 408810575 JDLYIIRANPWLNU-UHFFFAOYSA-N 443.863 5.200 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccc(Cl)cc1 409037608 TVLAWMOZWIYLEW-QNGOZBTKSA-N 434.948 5.523 0 40 IKAB CCc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 409102798 UEDHQTOJSSQWMJ-UHFFFAOYSA-N 440.399 7.096 0 40 IKAB O=C(Nc1cccnc1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 409112180 KOZJREAYXFDZDT-UHFFFAOYSA-N 435.593 5.429 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccc(C)cc1 409113552 HBMQXLOFDRVPQT-UHFFFAOYSA-N 425.528 6.987 0 40 IKAB Cc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C(=O)O2)cc1Cl 409196152 NPQYPNZIHXLOGM-WSDLNYQXSA-N 438.310 6.225 0 40 IKAB Clc1ccccc1COc1ccc(Br)cc1-c1nc2ccccc2s1 409252825 FBNWUTSOIPMTMP-UHFFFAOYSA-N 430.754 6.958 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(OC)c2)cc1 409375201 GZZQLVFKICCJBM-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)c1ccc(F)cc1 643564584 UGZZOKRERLEQEC-QFIPXVFZSA-N 440.559 5.018 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238424 SFKSZNDXMPANHH-UPQHOCQUSA-N 444.700 7.030 0 40 IKAB Cc1ccc(C)c([C@@]2(c3ccc(O)cc3)c3ccccc3-c3ccc(Br)cc32)c1 2113469530 NNKKFSRWKQTAOM-HHHXNRCGSA-N 441.368 7.135 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 678720 WKQOEQTYYAKTTN-UHFFFAOYSA-N 432.936 6.103 0 40 IKAB COc1cc(OC)c([C@@H]2Nc3ccccc3C(=O)N2c2ccccc2)cc1Br 818964 UVTZSZQVGLJCLC-OAQYLSRUSA-N 439.309 5.237 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)Nc3ccc(C)cc3)cc2c1 916770 GEWBBAUXOVPFPB-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB CC(=O)Nc1sc2c(c1[C@@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)CCCC2 950050 FWFXWIIIOSUTDF-HXUWFJFHSA-N 439.408 5.314 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 977350 DRLQVQHVWNXYIB-UHFFFAOYSA-N 441.318 5.362 0 40 IKAB Nc1c(C(=S)Nc2ccccc2)sc2nc(-c3ccco3)cc(-c3ccc(F)cc3)c12 1073749 LYFCJDDTTRZMBO-UHFFFAOYSA-N 445.544 6.732 0 40 IKAB COc1ccc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)cc1 1332711 VYYCLGUVPATTIX-UHFFFAOYSA-N 425.579 5.187 0 40 IKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378205 GBVMIDAMPVPKNY-UHFFFAOYSA-N 431.923 5.724 0 40 IKAB CCN(CC)CCC[C@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 1706247 FTCNBUOQORTZBK-LJQANCHMSA-N 430.423 6.859 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1cccc(OCc2ccccc2)c1 2070437 UMDVDQFKJMJIKN-BKUYFWCQSA-N 434.289 5.373 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2447131 NSLOTBCKOKPPGC-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC[C@H]3CCCO3)c2c1C 2625615 HXGSMPKOECQWRT-OAHLLOKOSA-N 443.594 5.060 0 40 IKAB COc1ccccc1-c1c(C)oc2cc(OCc3c(Cl)cccc3Cl)ccc2c1=O 2667568 WOJDCCWVZXAXGX-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB COc1cccc(Nc2nc(-c3ccccc3Cl)c3cc(Br)ccc3n2)c1 2690365 LWVGGBLNSUOIDD-UHFFFAOYSA-N 440.728 6.465 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725400 LYERPVIABJWDEL-JOCHJYFZSA-N 448.828 5.416 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1nc2cc3c(cc2s1)OCCO3 3215163 WSYHTCMVERGLNO-UHFFFAOYSA-N 439.320 5.172 0 40 IKAB COC(=O)c1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)o1 3297407 KMMFHNANPIJNES-UHFFFAOYSA-N 439.581 6.030 0 40 IKAB CCCCOP(=O)(OCCCC)C(C)(O)P(=O)(OCCCC)OCCCC 4837211 FYIBJOMOOTYWCI-UHFFFAOYSA-N 430.459 6.305 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](c1cccs1)N1CCCC1 6182242 GXFLAVSLENXMFS-AVRWGWEMSA-N 442.588 5.314 0 40 IKAB CCN(CC)CCCN(C(=O)c1ccc(F)cc1)c1nc(-c2ccc(OC)cc2)cs1 6511303 LYIBOGKIVCZEPH-UHFFFAOYSA-N 441.572 5.337 0 40 IKAB COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)ccc2OC)cc1 8706836 BHJMLRXGZGUPLC-AWEZNQCLSA-N 445.346 6.117 0 40 IKAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OC(=O)c3ccc(Cl)cc3Cl)cc1)N2 8721969 XPVMPESCSYSZRU-SFHVURJKSA-N 447.343 5.745 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8755223 VPIWDULREWGDLG-FQEVSTJZSA-N 429.951 5.821 0 40 IKAB COc1ccc(OC)c(C(c2c(O)ccc3ccccc23)c2c(O)ccc3ccccc23)c1 8781117 YDOBGHMAWONCOZ-UHFFFAOYSA-N 436.507 6.602 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 9167773 NDKVNSJUHRMKDC-GOTSBHOMSA-N 430.870 5.283 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 9295680 HTTYDAGNCFHHTH-ODLFYWEKSA-N 430.312 6.490 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)c2ccccc2Br)CSC3)c(C)c1 9404437 KENPZVHGIPFWJI-UHFFFAOYSA-N 428.355 5.251 0 40 IKAB Cc1nc(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)nn1-c1ccc(Cl)cc1 9463013 PYFZCQOBXXUYNK-SFHVURJKSA-N 437.956 5.206 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3cccs3)n2C2CCCCC2)c(C)n1C 9477143 DFISVSJGGVZSGF-UHFFFAOYSA-N 428.627 5.366 0 40 IKAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9730850 SZDMKGNRWVTGSJ-UHFFFAOYSA-N 433.002 5.000 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C(F)(F)F)nnc1-c1cccc(Cl)c1 9822984 XHBCFOAUUXPYCK-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccc2ccccc2c1 9850406 BELUBWZUPDAUHV-UHFFFAOYSA-N 449.622 7.020 0 40 IKAB Cc1cccc(OCc2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)c1 9953140 BMZTXINAGGBRQE-SFHVURJKSA-N 445.544 5.743 0 40 IKAB Cc1cc(=O)n2c(n1)NC(Nc1cccc(Cl)c1Cl)=N[C@@H]2c1ccc(C(C)C)cc1 10075811 FZYRIMUXTQRFLN-FQEVSTJZSA-N 442.350 5.422 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 12284891 GMLQUBQOJHOHAA-UHFFFAOYSA-N 443.135 5.348 0 40 IKAB CCc1c(C)sc2nc(C(C)C)nc(SCC(=O)c3ccc4c(c3)OCCO4)c12 12500092 PTAPVPAIYHGZMU-UHFFFAOYSA-N 428.579 5.432 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)cc1F 12585941 WHVYEBVERFIYSJ-INIZCTEOSA-N 435.524 5.299 0 40 IKAB CCOc1ccccc1C1=N/C(=C\c2ccc(-c3ccc(Br)cc3)o2)C(=O)O1 12619127 ZNGQJJLTFDVURV-AQTBWJFISA-N 438.277 5.452 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)cc1 12641769 HPAVLXZEDPMNSZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCc1cccc(N(C(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c2nc3ccccc3s2)c1 12690858 JYNMSMFHCRRVCN-GOSISDBHSA-N 444.556 6.194 0 40 IKAB c1ccc(Nc2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 12739741 LLTQGXFPKKJDQE-UHFFFAOYSA-N 425.608 5.758 0 40 IKAB Cc1sc(NC(=O)[C@H]2CCCN2C(=O)c2ccccc2)nc1-c1ccc(Cl)cc1 12787564 UAZPDMCDKGGDJL-GOSISDBHSA-N 425.941 5.015 0 40 IKAB Cc1ccc([C@@H](NCC(=O)Nc2ccccc2C(=O)NC2CCCC2)c2cccs2)cc1 12803348 AVPIZWUSMODFHM-RUZDIDTESA-N 447.604 5.047 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)cc1 12883116 XDYGOHFVKHNOQV-OAHLLOKOSA-N 434.517 5.563 0 40 IKAB COCCCn1c(-c2ccccc2Cl)nn(CN2CCc3sccc3[C@@H]2C)c1=S 12910564 JJPRQQDQWRYVGQ-HNNXBMFYSA-N 449.045 5.409 0 40 IKAB CCOc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13026997 BJPAYZRKTVBJBB-DEOSSOPVSA-N 432.520 5.125 0 40 IKAB CCOc1ccc([C@@H]2CCCN2C(=O)Cc2ccc(OCc3c(C)noc3C)cc2)cc1 13128302 QJCHGEDIRGKIJK-VWLOTQADSA-N 434.536 5.175 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1[C@H](C)c1ccccc1 13512262 DULSWBHQSOIZPU-OAHLLOKOSA-N 436.512 5.326 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)cc1Cl 13635342 IVFUNDTZRMRSCM-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Nc1c(-c2nc(-c3ccc(F)cc3)no2)sc2nc(C(F)(F)F)cc(-c3ccco3)c12 13960886 NHMXPPQCVYGMKQ-UHFFFAOYSA-N 446.385 6.013 0 40 IKAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)N1c2ccccc2Sc2ccccc21 14608363 FJXFUVIHXFJMNI-UHFFFAOYSA-N 435.980 5.292 0 40 IKAB C[C@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 14915624 OMLBQSYYAGLYND-HNNXBMFYSA-N 432.873 6.065 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc(Br)c1OC(C)C 15009356 YLUAPRSSDVYBQL-UHFFFAOYSA-N 449.370 5.089 0 40 IKAB CCOc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1F 16688736 ULVZASQYFCVOHN-UHFFFAOYSA-N 445.332 5.251 0 40 IKAB CCOc1ccccc1N(Cc1nnc2n1CCCCC2)C(=O)Nc1cccc(Cl)c1 16838774 FKSSNWFRLUBBPS-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 17099852 OQFNCLRHJROMCC-UHFFFAOYSA-N 435.936 5.837 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1c(OCc2ccccc2)ccc2ccccc12 17296806 DMQFWNZFHTUUMJ-XMMPIXPASA-N 446.572 5.117 0 40 IKAB O=C(N[C@H]1CC1(c1ccccc1)c1ccccc1)N[C@@H]1CC1(c1ccccc1)c1ccccc1 17429838 DIDKTFQKJBUMOX-HNRBIFIRSA-N 444.578 5.803 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)s1 19216921 KPDBGWQNEXDRGI-OAQYLSRUSA-N 441.560 5.629 0 40 IKAB CCn1c(SCc2csc(-c3ccc(F)cc3)n2)nnc1-c1ccc2c(c1)OCO2 19631889 KICRWEUSSKTBOO-UHFFFAOYSA-N 440.525 5.249 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 20529043 IUOLMFUZFNLXEZ-ACCUITESSA-N 444.314 6.471 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 21005723 QQFAHZVBYFRTAI-DEOSSOPVSA-N 443.478 5.173 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)c1 21579483 VXYVEDQVJSEDKY-UHFFFAOYSA-N 443.286 5.828 0 40 IKAB Cc1cccc([C@H](c2sc3nc(C)nn3c2O)N2CCC(Cc3ccccc3)CC2)c1 22626388 IZOAXOPJZIWMOK-JOCHJYFZSA-N 432.593 5.157 0 40 IKAB O=C(Oc1cc(Cl)c(Cl)cc1Cl)C1CCN(C(=O)c2ccc(F)cc2F)CC1 25126810 ZGBJVEINCQVOBU-UHFFFAOYSA-N 448.680 5.383 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1C 26124474 BBVQWWAGYPHNOY-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB CCCc1cc(N2CCN(Cc3ccc(C)cc3C)CC2)n2ncc(-c3ccccc3)c2n1 27585179 APAMRCXYOOGRIB-UHFFFAOYSA-N 439.607 5.288 0 40 IKAB COc1cc(CN(C(=O)c2oc3ccccc3c2C)c2ccccn2)cc(OC)c1OC 27744912 FUUJWCVSLXHSRE-UHFFFAOYSA-N 432.476 5.009 0 40 IKAB COc1cc(C(=O)N[C@H](c2ccccc2)c2cccs2)ccc1OCc1ccncc1 31915963 PSPCGBFMDUDDJI-XMMPIXPASA-N 430.529 5.250 0 40 IKAB COc1ccc(-c2n[nH]c(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)n2)cc1 33682106 TXJFFXZDGHRXGK-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3ccc(-n4cccn4)cc3)cc(-c3ccc(C)cc3)nc21 36613463 OWNNMRPORFRJFE-UHFFFAOYSA-N 436.519 5.173 0 40 IKAB FC(F)(F)c1ccc(Nc2ncnc3cc(-c4ncccc4C(F)(F)F)ccc23)cc1 38149571 VTANGSDRFFLTSQ-UHFFFAOYSA-N 434.343 6.473 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(F)cc1)NCc1ccc(Cl)cc1 41076878 YLWHIKOTMYKNSB-UHFFFAOYSA-N 439.943 5.286 0 40 IKAB CCCCn1c(S[C@H](C)c2nc3ccccc3n2C(F)F)nc2ccccc2c1=O 46552197 IOHVQFZSVNIQKG-CQSZACIVSA-N 428.508 5.795 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc(-c3cccnc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 57774940 VLODOZCTGHCFQP-MRXNPFEDSA-N 426.486 6.452 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3Cl)nc3ccccc3c2=O)cc1OC 67260479 FFPBGQAKTNUJJV-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72214913 YGECXFBHTMSFDD-NRFANRHFSA-N 439.556 5.705 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccc(SC3CCCCC3)nc2)cc1 72217279 IHSFZHHMFZMKTP-JOCHJYFZSA-N 430.639 5.731 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72354222 FXYUUZUXZXASDM-OAQYLSRUSA-N 437.971 5.188 0 40 IKAB O[C@]1(c2cccs2)c2cccc(Cl)c2[C@@](O)(c2cccs2)c2c(Cl)cccc21 101044568 OKLRWQCUSWXCEC-SZPZYZBQSA-N 445.392 5.998 0 40 IKAB Cc1ccc(/N=c2/scc(-c3ccc(Cl)cc3)n2CCc2c[nH]c3ccccc23)cc1 101379354 BZNPWXBFGIHAOE-PBBVDAKRSA-N 444.003 7.135 0 40 IKAB Cc1c(C)c2c(c(C)c1O)[C@H](C)[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2 200191923 PMIMOLIQGNWOJE-XQITYSCCSA-N 430.717 9.011 0 40 IKAB in-vitro CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 222689300 GXNCZORZSHCQSE-WUMKDDEVSA-N 431.630 6.521 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1nccs1 223085853 JSWIITSIDVVCJH-NHCUHLMSSA-N 437.638 5.251 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 223588687 ARAIWQZKTFRNCM-OYADDEIPSA-N 434.561 5.022 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 223674597 NLMWAHLRBQCYJL-UHFFFAOYSA-N 436.577 5.654 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC2CCCC2)c1 223806913 DYKQIFQAPHVQPL-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)c1 223807379 UMGMPYNUVUJMIN-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)ccc2Cl)c1 223934590 DGOCOZDVUSUCQM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 224050416 CWMVTFJTRAYWNM-GOSISDBHSA-N 445.003 5.174 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1Cl 224134386 WOQRABOLVGTPJW-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c1 224548916 ZYUVWYLWNZXGMY-QPUVPPAHSA-N 431.620 6.992 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1C 224631868 PFZCLHWEHFCFNA-RPBOFIJWSA-N 440.572 5.698 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)c(Cl)c1 224877086 SGUWIYNTTIVLPG-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225184011 SZFYCKGJZSEWJI-QHCPKHFHSA-N 445.003 5.141 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225311091 UWVPPXXJBXTWOU-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225333271 TWTDABJSNFRKQV-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)cc1 225836160 BIYVUKVOYBGAPU-UHFFFAOYSA-N 437.849 6.104 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@@H]3C)n2)cc1 225944134 IWJBCCXYKSFMPY-IBGZPJMESA-N 447.608 5.443 0 40 IKAB CC(=O)O[C@@H]1C(=O)CCc2c1ccc1c2CC[C@]2(C)[C@@H]1CC[C@H]2[C@H](C)CC[C@H](C)C(C)C 257349286 NBPHAHNFMOQFSI-DOZSEXAESA-N 438.652 6.961 0 40 IKAB CCOC(=O)c1c(NC(=O)CN(C2CCCCC2)C2CCCCC2)sc(C(C)=O)c1C 408582975 QEUPXLHINKQBPF-UHFFFAOYSA-N 448.629 5.342 0 40 IKAB Cc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1C 409087661 JICBOIHPRUTGMJ-UHFFFAOYSA-N 435.980 6.376 0 40 IKAB Cc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccc(C)cc2)cc1 409124234 AESSKYKLSRKIII-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB COc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1cccc2ccccc12 409197057 UZJGWAOACPNRSU-UHFFFAOYSA-N 439.580 6.161 0 40 IKAB COc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2NC(=O)c2ccc(OC)cc2)cc1 644210 PDUZQVYKEXQSPZ-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3cccc(Cl)c3)cc2c1 651162 UBYREYNNVROHBX-UHFFFAOYSA-N 448.979 5.284 0 40 IKAB COc1cc(NC(=O)C2CCCCC2)c(OC)cc1NC(=O)c1ccc(C(C)(C)C)cc1 1324368 DCYWWYPLYDDHNY-UHFFFAOYSA-N 438.568 5.772 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3ncnc(N4CCN(C(=O)C5CCCCC5)CC4)c23)C1 1377165 ZIVHEJFWDLXNKH-GOSISDBHSA-N 440.657 5.071 0 40 IKAB CCn1c(CNC(=O)c2ccc(Cl)cc2)nnc1SCc1ccc(C(C)(C)C)cc1 1392468 IBQAHDHHSSDQRG-UHFFFAOYSA-N 443.016 5.471 0 40 IKAB O=C(c1ccc(Br)cc1)c1cnc(Nc2ccc(Cl)c(Cl)c2)s1 1399989 ZYJLMDVQKCOYCL-UHFFFAOYSA-N 428.138 6.187 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 1839331 CWSCLXQUBKJIND-JTQLQIEISA-N 446.161 6.970 0 40 IKAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc2ccccc2c1 2194859 VUQHBCUFUCADOE-UHFFFAOYSA-N 439.902 5.509 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2222735 QPYADFHVCPRODO-QFIPXVFZSA-N 447.918 6.082 0 40 IKAB COc1ccc([C@@H]2N[C@H](C(=O)O)CS2)cc1COc1c(C)cc(Cl)cc1C(C)C 2260702 YNLQBLLKNVJCCJ-GHTZIAJQSA-N 435.973 5.148 0 40 IKAB COc1ccc([C@@H]2CC(=O)c3ccccc3O2)cc1COc1ccc(Cl)cc1Cl 2317833 DDDMMNXQRDEVRV-QHCPKHFHSA-N 429.299 6.288 0 40 IKAB O=S(=O)(Cc1ccccc1)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 2423384 AMAKABAAEREESU-AREMUKBSSA-N 448.632 5.912 0 40 IKAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 2721135 VIGIYPJIMZTDPI-ACCUITESSA-N 442.540 5.485 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NNc2ncnc3scc(-c4ccccc4)c23)c1 3332287 PTDRJWALAYXFMO-UHFFFAOYSA-N 445.495 5.691 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=CC1 3846376 GSMGNZCKZIUPCV-POGVWIKGSA-N 444.656 6.641 0 40 IKAB biogenic Cc1cc(C)c2cc(CN(C(=S)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1 6301261 GAVRVFDQLRQDCJ-UHFFFAOYSA-N 425.642 5.487 0 40 IKAB COc1cccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c(=O)ccccc23)c1 8397890 SPPDLXKZFWUPHR-NTEUORMPSA-N 433.305 5.327 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 8442259 DKXAFVUPTBRPIK-XIGLYXCTSA-N 434.583 7.694 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2N)cc1 8448449 CDCKNRPNRYGNJA-UHFFFAOYSA-N 442.565 6.514 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1c(C)cc(C)cc1C 8604596 FDPDJKHLFHJAEZ-UHFFFAOYSA-N 429.563 5.236 0 40 IKAB Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@@H](c4ccco4)C3)c(-c3ccccc3)c2c1 8774954 UAIUFMWMZAABOR-JOCHJYFZSA-N 439.515 5.430 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(-c2ccc(NC(=O)/C=C/c3ccccc3)cc2)cc1 8873845 BSYJJAFCADZFOP-XHQRYOPUSA-N 444.534 6.657 0 40 IKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 9031512 SZBAWOYCLMZJDQ-MFXVKMIXSA-N 428.963 6.938 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2cc3oc4ccccc4c3cc2OC)cc1 9089645 WZIPEHCLRABVLE-UHFFFAOYSA-N 434.517 5.510 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Br)cc1 9234916 FCNMBEPQQTUPQE-UHFFFAOYSA-N 440.362 6.704 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1 9282671 HKUVVHOJTYAKOL-RUZDIDTESA-N 438.527 5.986 0 40 IKAB CCn1c(SCc2ccccc2Cl)nnc1[C@@H](NC(=O)c1ccccc1)C(C)C 9306133 OORXVTSEGYSPBH-IBGZPJMESA-N 428.989 5.371 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nncn2-c2ccccc2F)c2ccccc2)c1 9412476 ZXKZPHGHMUSPLH-JOCHJYFZSA-N 446.507 5.081 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1N=C(c2cccs2)C[C@H]1c1ccco1 9467414 FMJWODKLJWMEFV-INIZCTEOSA-N 442.953 5.341 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)o2)cc1 9471857 DXJQMVLYVBDLDV-UHFFFAOYSA-N 428.473 5.274 0 40 IKAB Cn1cccc1C(=O)O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 9540213 XNNVEWNDKVNENH-GOSISDBHSA-N 436.817 5.234 0 40 IKAB CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 9556280 XFLTZMNNHMWZIJ-SANMLTNESA-N 446.572 5.154 0 40 IKAB CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc(-c2ccc(C)cc2)cs1 9606383 IRGWJYYISZUJQO-UHFFFAOYSA-N 426.994 7.043 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 9663531 PQXZCBMYZOXIAS-UHFFFAOYSA-N 442.298 5.328 0 40 IKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1cc(Br)ccc1Cl 9668101 XSVAMCRLCVPOCW-UHFFFAOYSA-N 442.700 5.236 0 40 IKAB O=C(c1ccccc1F)N(Cc1ccco1)Cc1cc2cc3c(cc2nc1Cl)OCO3 12493987 NJVPMUKEIZSZTD-UHFFFAOYSA-N 438.842 5.192 0 40 IKAB O=C(N[C@@H]1CCSc2c(F)cccc21)c1ccc(OCc2cn3ccccc3n2)cc1 12622584 CEAUYOPZLVDGDB-OAQYLSRUSA-N 433.508 5.019 0 40 IKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)CC1 12676789 VCTMEEMXUUAWFO-UHFFFAOYSA-N 448.950 5.410 0 40 IKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3c2C1 13096007 JYITWLFGXYIJDH-ZDUSSCGKSA-N 439.441 5.145 0 40 IKAB COCCn1c(SCC(=O)c2c(C)[nH]c3ccccc23)nnc1-c1ccc(Cl)cc1 13141235 LPNMYYNPRKVXMR-UHFFFAOYSA-N 440.956 5.010 0 40 IKAB Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 13497807 RAYHCJFUNRDJOW-RUZDIDTESA-N 447.604 5.136 0 40 IKAB CCCn1c(C)c(C)c(S(=O)(=O)c2ccc(C)cc2)c1NC(=O)c1ccccc1Cl 13721359 SPVAFTRBBGZTSD-UHFFFAOYSA-N 444.984 5.562 0 40 IKAB CCCCN(C)c1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13768520 WRHXPIACEIRTIO-UHFFFAOYSA-N 434.634 6.353 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 13942456 UPSRTAGRGBASRX-BCHFMIIMSA-N 426.491 5.698 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nc12 14270809 VMOUPIAZFLDGDD-UHFFFAOYSA-N 441.965 5.953 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)n2)cc1 14272494 KXSSRFKHTFIEFR-UHFFFAOYSA-N 445.327 6.638 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 14272921 LBYFVCOGBSLESO-UHFFFAOYSA-N 444.742 5.848 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)c1cc(-c2ccc(Cl)cc2)on1 15859976 VDSYNPTVZZBBJB-LJQANCHMSA-N 429.973 5.404 0 40 IKAB COc1ccc(-n2c(SCc3cccc(Oc4ccccc4)c3)nc3ccccc32)cc1 15979063 FGVYXZSHMUMSFS-UHFFFAOYSA-N 438.552 7.119 0 40 IKAB O=C(CSc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccc(Cl)cc1 16400745 XCLLFKMHVVIAME-UHFFFAOYSA-N 425.815 5.611 0 40 IKAB S=c1n(CN2CCC(c3ccccc3)CC2)nc(-c2ccccc2)n1-c1ccccc1 16493521 JPEWJYIHZACCIL-UHFFFAOYSA-N 426.589 5.907 0 40 IKAB CCOc1cc(CN[C@@H](C)CC)cc(Br)c1OCc1ccccc1Cl 16610312 ZLVSRANMKOCODF-AWEZNQCLSA-N 426.782 5.968 0 40 IKAB COc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17095209 WXMZYCOZFFZQOH-PKNBQFBNSA-N 426.925 5.443 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 17097533 XMNXUENUDNCNCN-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1cccc2c(Cl)cccc12 17098316 KJIPFZDUZPPWCZ-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CCSc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316839 SEHSZPALJUIDTP-LJQANCHMSA-N 439.972 5.280 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)OCC(=O)c1cc(C)n(-c2nccs2)c1C 17828638 SVAXPOQNEJPNSD-UHFFFAOYSA-N 437.546 5.022 0 40 IKAB Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccccc3F)cc2)c1C 19558670 FVDUHXGJXLXWEJ-UHFFFAOYSA-N 444.510 5.608 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)cc1Cl 19630709 XJPBELJHYSNQDV-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB CCc1cc([C@@H](c2cccc(F)c2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 19880702 MJAQOJALZGXRLN-HSZRJFAPSA-N 437.584 5.039 0 40 IKAB C/C=C/Cn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1cccs1 19882811 RBAXEYGMYQYUME-MNRFKCSFSA-N 430.576 5.198 0 40 IKAB c1ccc(-c2nc(NCCCN3CCOCC3)c3cc(-c4ccccc4)sc3n2)cc1 21548870 ZJVSOPYQQRGSQQ-UHFFFAOYSA-N 430.577 5.160 0 40 IKAB COc1cccc(-c2nc(C(=O)N[C@@H](c3ccccc3)c3cccs3)cs2)c1OC 25775717 XFTWIHOLXGIXGR-FQEVSTJZSA-N 436.558 5.408 0 40 IKAB COc1cc(OC)cc(-c2nnc(S[C@@H](C)c3nc4ccccc4n3C(F)F)o2)c1 32879039 USDDYXBZYIFPIK-NSHDSACASA-N 432.452 5.352 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OC 33777447 XYVFHSQBUIFWKH-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB C[C@H]1C(=O)[C@H](O)C[C@H]2[C@]3(C)CC[C@@]4(C)[C@@H]5CC(C)(C)CC[C@]5(C)CC[C@]4(C)[C@H]3CC[C@@]21C 40379106 DSEKYWAQQVUQTP-XEWMWGOFSA-N 442.728 7.428 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 44885448 BNPWFNQGGRVNGD-VWLOTQADSA-N 437.967 6.445 0 40 IKAB COc1cccc2cc(-c3nc(-c4ccc(OCc5ccccc5)cc4)no3)c(=O)oc12 57354720 BEHKFRBULZKTIL-UHFFFAOYSA-N 426.428 5.098 0 40 IKAB CCCCCCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)/C(=C/c3cnn(C)c3)C[C@H]12 71782836 IBNFQZMCZXLXIE-GLYIJJEGSA-N 448.651 6.290 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 72372644 DYQKKOYBEXURES-VWLOTQADSA-N 439.563 5.615 0 40 IKAB CCOc1ccc(CN2CCC[C@@H]2c2cc(Nc3ncc(C)s3)cc(C)n2)cc1CO 72372714 XTDOADFSLXYUBT-JOCHJYFZSA-N 438.597 5.127 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3cccs3)C2=C(O)C1 104166921 WKCIFVHQSMSDHQ-AREMUKBSSA-N 442.584 6.783 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)C5CCCCC5)CC[C@H]4[C@@H]3CC[C@@H]2C1 118932266 UCQQTYPFMHIJRO-HASQAJKZSA-N 444.656 6.453 0 40 IKAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 219843054 HOEBKMWZBSDSGS-KRWDZBQOSA-N 425.912 5.125 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4cccc5ccccc45)ccc32)cc1 223374919 HHVYMBKXPVPNED-UHFFFAOYSA-N 442.540 5.152 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 223564250 KMARWZMWCCMHIE-QHCPKHFHSA-N 426.626 5.201 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 223933854 TUKMFVSJFWLJFF-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223970479 CMXRFOSQRMXVAQ-RPWUZVMVSA-N 447.608 5.216 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ncc(Cl)cc3Br)CCCC2)cc1 223980359 QHQMXWBTUZEBMX-UHFFFAOYSA-N 442.785 5.435 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3C)ccc2C)cc1 224059718 KCISZWPRYNIKMX-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1c([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n(-c2ccccc2)c1C 224187304 GMTULSXEGIPRFC-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224408408 VKLMGWAHHUSCQA-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224539024 RIMIVEVJUIGHDV-LJQANCHMSA-N 437.967 6.426 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1OC 224577576 GGPUNKRVMDNPMF-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224667144 ILLJJLKWKKJQQW-OAQYLSRUSA-N 433.017 5.012 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224845156 IGOKTHGDCLPYBZ-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 224911849 LCAXYFTXSVOFAB-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224999446 HBDGTHPVLSIUGM-HSZRJFAPSA-N 448.651 5.651 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225095980 KLHNAGNQHWGVBI-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2ccccc2Cl)cc1Cl 225297128 VFXFPERLLLILQR-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225494402 MXGWPNLOFTWXEL-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225550203 CPTKDIGLEVXHNU-BKMJKUGQSA-N 436.640 5.773 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225585371 PYOWVERGEDJWDU-HTAPYJJXSA-N 432.967 5.052 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225652141 SOJFYOFWYWWYNK-BKMJKUGQSA-N 432.649 6.034 0 40 IKAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 225801382 YUSCBDLBWQUSSP-UHFFFAOYSA-N 437.858 5.893 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 253374723 NIFSJXVZMQZQRL-PHIRODEFSA-N 437.539 5.718 0 40 IKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257265401 LYNDBKWIGYOTPU-VWPQPMDRSA-N 439.905 6.483 0 40 IKAB C[C@H](c1ccccc1)N(Cc1cccc(Cl)c1)C(=O)COc1c(F)cccc1C(=O)O 257266449 MDBFBQQMKIYQID-MRXNPFEDSA-N 441.886 5.346 0 40 IKAB CCc1ccc(CNC(=S)c2cc(Cl)ccc2OCc2c(F)cccc2Cl)cc1 408572771 ICKZHUODBVCEGO-UHFFFAOYSA-N 448.390 6.739 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(OC(C)C)cc2)C(=O)O)o1 408633195 MEQDIGPVGKNVQO-ZDLGFXPLSA-N 446.912 5.404 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Sc1nc2ccccc2[nH]1 408635346 ZQJLCYSVYASOMV-YVLHZVERSA-N 431.300 6.348 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3NC(=O)c3ccc(N)cc3)cc2)cc1 408673425 SAQRPANZLARRCQ-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408694598 KMVBLVQDMYDXOP-NRFANRHFSA-N 428.315 6.021 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 408750457 NHGCJONYQSIIDT-HOTGVXAUSA-N 442.993 5.922 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409179006 MLDDSIWKFFJSKC-WPFQWDPVSA-N 442.990 7.197 0 40 IKAB COc1cc(Br)cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)c1O 409191864 PBYUPRGAXRQCPT-VGOFMYFVSA-N 440.702 5.058 0 40 IKAB Cc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(C)c1 409381919 OZLXGXHRERBEMG-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1C 409382302 RKQFJBUVXAPGNM-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1c(C(=O)Nc2cccc(Cl)c2N2CCOCC2)oc2ccc(Br)cc12 526052160 ALVKWLWWKKAKJH-UHFFFAOYSA-N 449.732 5.246 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1-c1ccc(Cl)cc1 2037873515 SBBOCMLISCBACZ-QFIPXVFZSA-N 434.923 5.397 0 40 IKAB COc1ccc(Cc2nnc(NC(=O)Nc3ccc(Cl)c(Cl)c3)s2)cc1OC 784296 YNBUBAICNXQIHA-UHFFFAOYSA-N 439.324 5.097 0 40 IKAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccc(C)c(C)c1 916110 FZOZPUNTZDDPRC-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 1224975 RDVMITGIMRECLP-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378196 YDKKNPQXDIHGLK-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB CCCC[C@@](O)(c1ccccc1)[C@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1635370 HTVPDYDMQDWRDO-RPWUZVMVSA-N 436.420 5.696 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(C)c1 1860944 KGMDKBWEQQJCLL-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(C3CCCCC3)cc2)nc2ccccc12)c1ccccc1 2079284 GUQBNVOUFWJDLK-UHFFFAOYSA-N 449.550 6.989 0 40 IKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3c(C)n(C)c4ccccc34)cc2oc1=O 2147010 QNACBQBXGPLLQG-UHFFFAOYSA-N 445.559 6.286 0 40 IKAB biogenic CCCCCCOC(=O)c1c(N)n(-c2ccc(OCC)cc2)c2nc3ccccc3nc12 2246170 NFUHCFKZJXSNNH-UHFFFAOYSA-N 432.524 5.292 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1 2251800 PLRPYOYQYJRQAL-FGZHOGPDSA-N 432.936 5.514 0 40 IKAB CC1(C)Cc2c(sc3nc(SC(c4ccccc4)c4ccccc4)nc(N)c23)CO1 2271551 SGAUBEMGKIJVBV-UHFFFAOYSA-N 433.602 6.007 0 40 IKAB COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 2443573 FBRDJNPHTZVYQO-UHFFFAOYSA-N 427.504 5.303 0 40 IKAB biogenic Cc1ccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCCO4)cc1 2690099 JAGIGBQKKUQPFY-UHFFFAOYSA-N 435.527 5.948 0 40 IKAB C[C@@H](Sc1nc2c(c(=O)n1-c1ccc(Br)cc1)SCC2)c1ccccc1 2720044 KFSVWLGPOGLKGH-CYBMUJFWSA-N 445.407 5.497 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1 3238107 IPFDAHMWNKVWOH-UHFFFAOYSA-N 448.828 5.898 0 40 IKAB Fc1cc(Br)ccc1CSc1nnc(-c2cccs2)n1-c1ccccc1 3284529 KHOSXSMJIATPNL-UHFFFAOYSA-N 446.370 6.190 0 40 IKAB CC(C)c1ccc([C@@H]2SC[C@@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 3330749 FOAJEJSOLTWMDN-MJGOQNOKSA-N 447.423 5.320 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1c1ccc2ccccc2c1 3663899 SWRZAFUFPIBUEP-HSZRJFAPSA-N 429.317 6.373 0 40 IKAB CCCCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 6078001 QNGMCLZCPOUMKN-UHFFFAOYSA-N 439.603 7.386 0 40 IKAB Cc1cccc(C(=O)Nc2nnc(SCc3c(C)cc(C(C)(C)C)cc3C)s2)c1 6302306 DSKMFTRTOUXPSX-UHFFFAOYSA-N 425.623 6.305 0 40 IKAB CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1OC 6591653 GAZAZNIWRNDPRY-YCRPNKLZSA-N 428.598 6.125 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CCCCC2 8445630 JIFWUKDCMDRKAE-SFHVURJKSA-N 432.589 6.069 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)o1 8743212 UEHMPKAHYNTTCQ-UHFFFAOYSA-N 432.914 5.146 0 40 IKAB CN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 8771690 YKGZEKDUDOKSPX-SFHVURJKSA-N 434.348 5.732 0 40 IKAB Cc1sc2c(c1C)C(=O)N[C@H](c1ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc1)N2 8843015 CJRJVPYPQSJNOE-NRFANRHFSA-N 434.561 5.736 0 40 IKAB CC(C)c1cccc2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc12 9037197 RDOVKESCCYYXMR-UHFFFAOYSA-N 444.585 6.271 0 40 IKAB O=C(Nc1ccccc1NC(=O)c1ccccc1-c1ccccc1C(=O)O)c1ccco1 9190501 LSRZPLXCRAQBNJ-UHFFFAOYSA-N 426.428 5.149 0 40 IKAB Cc1ccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(C(C)C)cc3)c3ccccc32)cc1 9225593 BBKMKRZBEGNVEF-HHHXNRCGSA-N 442.584 5.598 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccccc2F)c2ccccc2S1(=O)=O 9663928 XLDCCGJYZMOMOT-UHFFFAOYSA-N 430.888 5.123 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9669541 RDSQUHZBIDDIHT-LJQANCHMSA-N 436.606 5.263 0 40 IKAB O=C(c1cnn2c1N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 9780505 DWWVXYCAPGPLNG-QUCCMNQESA-N 444.432 5.276 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cccc(Cl)c2)cc1 9908167 MOAOTQDBQKPOFQ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1cc(OS(=O)(=O)c2ccc(Cl)cc2)c2c(-c3ccccc3)cc(=O)oc2c1 11865502 CZBCBGSEVWIDBC-UHFFFAOYSA-N 426.877 5.190 0 40 IKAB COc1ccc(-c2cc(=O)oc3cc4c(cc23)CCC2(CCC(C(C)(C)C)CC2)O4)cc1 11867453 LYJBCGOXCOLXHJ-UHFFFAOYSA-N 432.560 6.769 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(Cc1ccc(Cl)cc1)C[C@@H]1CCCO1 12111578 NLUAEVJTIMXVNM-JPYJTQIMSA-N 429.988 5.613 0 40 IKAB COc1cccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)c1 12195660 ZRJVQQDBLOTKDL-ISKFKSNPSA-N 436.964 6.313 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3cccc(Cl)c3Cl)[nH]c(=O)c12 13040739 ALZWYAFVTTUBPT-GFCCVEGCSA-N 438.424 5.820 0 40 IKAB Cc1ccc(-c2nnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 13116010 DQUGKLFRKJQTSG-SFHVURJKSA-N 441.940 5.012 0 40 IKAB C/C(=C\C(=O)OCCCc1c(C(C)(C)C)cc(O)cc1C(C)(C)C)NC1CCCCC1 13282631 ILZAKBZNOVDNEZ-KNTRCKAVSA-N 429.645 6.289 0 40 IKAB Oc1ccc(CCN2CCC(Nc3nc4ccccc4n3Cc3ccc(F)cc3)CC2)cc1 13537287 LAGYWHSFHIMTPE-UHFFFAOYSA-N 444.554 5.048 0 40 IKAB world Cc1ccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)cc1C 13562275 ABKAJCOMLWOKPA-UHFFFAOYSA-N 440.012 6.666 0 40 IKAB Oc1ccc2c(c1)Oc1ncn3nc(-c4ccc(Cl)cc4)nc3c1[C@@H]2c1ccccc1 13770957 GQWWUPAVOQUKKX-HXUWFJFHSA-N 426.863 5.436 0 40 IKAB CCCCc1ccc(NC2=C[C@@](C)(C(=O)OCC)N(c3ccc(CCCC)cc3)C2=O)cc1 15304713 MRCXKNINQHBTHB-NDEPHWFRSA-N 448.607 6.036 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(F)cc4)cc3O)oc2cc1C 16284205 HKBJFMBXGHNWQC-UHFFFAOYSA-N 435.480 5.083 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2ccccc2n1)c1ccc(Cl)c(Cl)c1 16492545 HFNXGYNUWYDHKT-UHFFFAOYSA-N 425.340 6.579 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cc(Cl)ccc1Cl 17103166 NFXCNKJPECWBFP-UHFFFAOYSA-N 439.346 6.411 0 40 IKAB Cc1cc2cccc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)c2o1 19126693 PUGQUUPLLDZIBU-LJQANCHMSA-N 435.524 5.268 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1 19630051 MZQSDEBMBBZFFX-UHFFFAOYSA-N 439.540 5.148 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(-c3ccccc3)c(COc3ccccc3)nn12 20069299 IZKFISALBZOPNS-UHFFFAOYSA-N 445.444 6.661 0 40 IKAB CSc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797329 QUCHDSBCAXHAJE-DEOSSOPVSA-N 440.572 5.994 0 40 IKAB C[C@H](Sc1ncnc2ccccc12)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 21464976 XABOQHPXFQVQDH-NSHDSACASA-N 428.489 5.151 0 40 IKAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc(OCc2ccccc2Cl)c1 22258136 SAUKAQWFXCVWGE-UHFFFAOYSA-N 428.919 6.915 0 40 IKAB Cc1ccc(-c2noc(-c3sc(NC(=O)c4ccc(Br)o4)nc3C)n2)cc1 32073220 SZEGXHKSAMLVGQ-UHFFFAOYSA-N 445.298 5.085 0 40 IKAB Cc1nn(C)c(Cl)c1/C=C\c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 33376503 FVDQLEVRBUKBCF-ARJAWSKDSA-N 436.743 5.640 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(F)cc1 45891035 IXSJDBLANGGLQG-UHFFFAOYSA-N 430.115 5.056 0 40 IKAB O=C(NCCc1cccc2cccnc12)Nc1cccc(NC(=O)Nc2ccccc2)c1 58128761 VNJFUMKPGKRXLD-UHFFFAOYSA-N 425.492 5.243 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1cc(Br)ccc1Br 59434860 UEIFSWQIWROTJC-UHFFFAOYSA-N 442.132 5.084 0 40 IKAB O=c1c(-c2nc(-c3ccccc3Cl)no2)cccn1Cc1cccc(C(F)(F)F)c1 77200498 FIMARBCOMUVCRN-UHFFFAOYSA-N 431.801 5.286 0 40 IKAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3ccc(F)c(F)c3F)c12 95478662 YLLQWECEAVUPPH-HNNXBMFYSA-N 428.410 5.025 0 40 IKAB O=C(Nc1nc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc2s1)c1ccccc1 96191221 AWTGBBZVJOOCAX-UHFFFAOYSA-N 431.561 5.704 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3c(Cl)cccc3Cl)n2)c1 96234435 BKKXCTXJKIGANJ-UHFFFAOYSA-N 436.364 5.244 0 40 IKAB COc1cccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1OC 102725790 UXSDIDRCXAHRPZ-QRQCRPRQSA-N 432.476 5.314 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1cccc2c(Br)cccc12 107887996 BPIOQRSENIBXEI-UHFFFAOYSA-N 429.745 6.108 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C=C[C@H]2C1 118936181 OYEYIKXHJYRVQH-GQRDYSQKSA-N 428.701 7.815 0 40 IKAB O=C(CCCCCC(=O)c1ccc(Br)cc1)c1ccc(Br)cc1 205912565 GXLQICGAZPPGJN-UHFFFAOYSA-N 438.159 6.228 0 40 IKAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccc(C)cc1 222550295 WNUYPQWRYSGRJV-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 223212815 XYOXXLHMZINOLF-DEOSSOPVSA-N 438.612 5.219 0 40 IKAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1cc(Cl)ccc1Oc1ccccc1 223439340 FAKKBKLNTDRVAZ-UHFFFAOYSA-N 440.373 6.308 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1C 224047429 FKRSPSBPWOKTPH-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 224065073 BLULPUBQWFEYNN-XMMPIXPASA-N 440.653 5.076 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224389056 SBOOTRZMEBFHOQ-SJORKVTESA-N 434.359 5.222 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 224408832 OTFOIGLEMALJMY-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3C)cc2)cc1C 224550355 NIDXHKIMERLMIL-UHFFFAOYSA-N 442.968 5.247 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224551532 MTGMDFXFHBKPNB-NRFANRHFSA-N 449.422 5.648 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cccc(OC)c1 224593157 WKPQZVIHPWGOGK-UHFFFAOYSA-N 433.548 6.050 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224627672 DVTPVAXVKJFBKM-HHHXNRCGSA-N 444.619 5.660 0 40 IKAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032680 PABKFMGNWMUBGM-DHIUTWEWSA-N 447.560 5.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225208018 VCPHSKRAHHPIPB-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225274878 OOAWSSMTGAHJSI-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225306694 MPANMCLDJAHJJQ-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1Cl 225650208 VSQGPYBGBZRCMN-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225664203 SARCKGSJWYGOFB-NVQXNPDNSA-N 430.633 5.501 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2c1cccc2C(F)(F)F 225827495 VVNLYUGLEAWTMQ-UHFFFAOYSA-N 438.833 5.391 0 40 IKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)n1 225918531 JMHQMQDOMQYHFR-UHFFFAOYSA-N 444.922 6.535 0 40 IKAB NC(=O)c1cn(C(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c2ccccc12 226766575 CZRUUFTXOOHNSH-UHFFFAOYSA-N 443.684 5.105 0 40 IKAB O=C1[C@H]2[C@H](C[C@H](c3ccc(F)c(F)c3)N2Cc2ccccc2Cl)CN1c1ccccc1 257217105 CXMCBEMRYDKGPZ-DQMJNTIXSA-N 438.905 5.597 0 40 IKAB Cc1cccc(CC(=O)NC[C@H]2CC[C@H](c3nnc(-c4nccc5ccccc45)o3)CC2)c1 257230165 GBCWACFGSFZCGF-XYWHTSSQSA-N 440.547 5.226 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3cccc(F)c3)o2)C1 257254948 KFKOIBMQQBCUQC-GOSISDBHSA-N 440.490 5.107 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@H](Cc4ccc5cnccc5c4)CC3)CCOCC2)cc1 257340612 ZGWNHFLQCIRJQY-QHCPKHFHSA-N 442.603 5.463 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2C)c(C)c1 408543382 DBDNRRQQBHADMJ-UHFFFAOYSA-N 436.577 5.590 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)/C(=C/c1ccccc1)c1ccccc1 408573383 DIBXNHIMNSTDRZ-RDRPBHBLSA-N 433.595 7.334 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccc(C)cc2)cc1 408727701 XCHFWRIBHVCDDX-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3cccc(C)c3)cc2)C(=O)O1 409003442 GMKDNAPCACIEHF-BKUYFWCQSA-N 447.874 5.221 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)c2ccc(C)cc2)C(=O)O1 409190840 RFPRJJHGVSUFHY-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409346785 OHJOMYQPVIJMAA-UHFFFAOYSA-N 447.347 5.574 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(C)cc2)n1CC 409360127 LHFSPMHVYRCFHO-UHFFFAOYSA-N 440.638 5.333 0 40 IKAB CC(C)Oc1cc(Cl)ccc1-c1ccc(C(=O)O)c(Cc2ccc(F)cc2Cl)n1 585265059 FYNTXISMYWAAMA-UHFFFAOYSA-N 434.294 6.271 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 720707 JLVOTLFWEAVBET-YADHBBJMSA-N 442.298 5.566 0 40 IKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)c1nc3ccccc3nc12 1020366 ANFFCZSIBRJIPI-XZOQPEGZSA-N 436.353 5.360 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1ccc(Cl)c(Cl)c1 1099286 GUUOIFLSLFJRNM-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@H](C(C)(C)C)C4)cc1 1223113 CDVZQWLLMHZXIN-AWEZNQCLSA-N 441.622 5.582 0 40 IKAB Cc1ccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1352891 OYTKEIDCCJAMEF-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB Cc1sc2ncnc(SCC(=O)c3cc(C)n(CCc4ccccc4)c3C)c2c1C 1465360 ZINSCQCLCNEOKM-UHFFFAOYSA-N 435.618 5.944 0 40 IKAB CCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3c(C(F)(F)F)cccc23)cc1 1912370 KFZSRRXRKHXURV-UHFFFAOYSA-N 432.398 5.351 0 40 IKAB CCC(=O)Nc1cccc(-c2nnc(SCc3c(C)cc(C)c(C(C)=O)c3C)n2C)c1 2201987 XTCTUSALAOOFBE-UHFFFAOYSA-N 436.581 5.251 0 40 IKAB Clc1ccc(Nc2nc(Cl)nc(Nc3ccc(Cl)cc3Cl)n2)c(Cl)c1 2283136 POOZLDNCVGCNAM-UHFFFAOYSA-N 435.529 6.626 0 40 IKAB COc1ccc(C(=O)N2c3ccc(C)cc3-c3c(ssc3=S)C2(C)C)cc1OC 2350858 WWHYSOCPXDVNGV-UHFFFAOYSA-N 443.615 6.427 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)OCc1csc(-c2ccccc2)n1 2622054 PTVBQJLMZUJWHM-HSZRJFAPSA-N 442.540 5.415 0 40 IKAB Cc1ccc(-n2c(SCCCC(=O)c3ccccc3)nnc2-c2cccnc2)c(C)c1 2625131 VMNMZZYVUYDNRU-UHFFFAOYSA-N 428.561 5.701 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 2626346 BJUBZSKMSKENSX-SFHVURJKSA-N 445.588 6.278 0 40 IKAB CCOc1ccc(-n2c(CSc3nc(C)cc(C)n3)nnc2S[C@@H](C)CC)cc1 2706347 UHQXMLZAWGEGTG-INIZCTEOSA-N 429.615 5.256 0 40 IKAB CCc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 2799051 HUWCRRSTNBIRDM-CQSZACIVSA-N 431.483 5.844 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(C(F)(F)F)ccc1Cl 2949602 NYMMJKUANJDDBQ-FARCUNLSSA-N 434.639 5.782 0 40 IKAB COc1cc2c(cc1OC)[C@@H](COc1cc(C)cc(C)c1)N(C(=O)Nc1ccccc1)CC2 3006488 OMIWZGJPAUOWEC-XMMPIXPASA-N 446.547 5.531 0 40 IKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)c(Cl)c1 3041618 GYWVJWYEFLGAPU-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB O=c1c(-c2nnc(SCc3ccc(Cl)cc3Cl)o2)cccn1Cc1ccccc1 3041830 ZMBWTJAFAWUOTG-UHFFFAOYSA-N 444.343 5.546 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1ccc(Cl)cc1Cl 3134859 SLZDKBRDBFVCEU-UHFFFAOYSA-N 447.170 7.193 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1c[nH]c2ccccc12 3449780 LCKQICXXLGMSAH-UHFFFAOYSA-N 449.919 5.148 0 40 IKAB CC1=CC(C)(C)Nc2cc(C(c3ccccc3)(c3ccccc3)c3ccccc3)c(C)cc21 4608286 LEOMYOCIUJFSTE-UHFFFAOYSA-N 429.607 7.985 0 40 IKAB C[C@@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@@H](C)Cc1ccccc1 4697255 AVBUWOHKTKLQNV-ZEQRLZLVSA-N 436.640 5.602 0 40 IKAB COC(=O)[C@H]1C[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1(C)C 5230390 HEASRFZDYCISJY-LMEPWCKFSA-N 442.728 8.063 0 40 IKAB COc1cccc(C(=O)CSc2ncnc3sc4c(c23)CC[C@H](C(C)(C)C)C4)c1 6075287 CMKXSONGYWCFRY-HNNXBMFYSA-N 426.607 5.826 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3[C@H](C)c3ccccc3)CC2=O)cc1 6753177 AVWMXUJDFQVROP-TZIWHRDSSA-N 425.532 5.565 0 40 IKAB CCOC(=O)c1c(-c2ccc(-c3ccccc3)cc2)csc1NC(=O)CN1CCCCC1 8433003 KJBDBBKLFJGEOX-UHFFFAOYSA-N 448.588 5.683 0 40 IKAB c1coc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4ccccc4c3)cs2)c1 8694706 QBYFTZBSRDVXJN-OAQYLSRUSA-N 427.554 6.974 0 40 IKAB Cc1ccc(OCCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756239 ZYYDXVNKFJZRAW-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 8776077 XVADSWGAWXLQRM-FQEVSTJZSA-N 444.604 5.438 0 40 IKAB C[C@@H]1CCCCN1C(=O)c1ccc(NCCC(=O)c2ccc(Br)cc2)cc1 8783581 WMYKYLFYYZWOEK-MRXNPFEDSA-N 429.358 5.149 0 40 IKAB N=C1S/C(=C\c2c[nH]nc2-c2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1Cl 8856077 CCYGSJWAVLZJFG-LFBYWYOWSA-N 433.295 5.578 0 40 IKAB CC(C)n1nccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 8894404 PMCLZDDERYZTIT-UHFFFAOYSA-N 444.992 5.222 0 40 IKAB Cc1sc(NC(=O)c2cc3ccccc3o/c2=N\c2ccccc2)nc1-c1ccccc1 9059361 ZLPLULJDSZECHF-RFBIWTDZSA-N 437.524 6.349 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1cc(-c2ccccc2O)n[nH]1 9124712 PWFTZOXREBLBJW-UHFFFAOYSA-N 441.418 5.151 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc(F)cc3)sc2c1 9187351 ZJIQORAYCPIRLV-NRFANRHFSA-N 442.471 5.600 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc12 9274006 XODFNBVZFPXXEV-UHFFFAOYSA-N 446.557 5.465 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1 9310926 GNABHKPXYBDHEA-JDXGNMNLSA-N 448.566 7.261 0 40 IKAB CCOC(CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3)OCC 9477914 IPPWMVBEZLBCJX-UHFFFAOYSA-N 431.627 5.418 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1OC 9543747 IAQACKJFOKOWNI-OAQYLSRUSA-N 437.337 5.822 0 40 IKAB Cc1cc(F)ccc1N[C@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl 9606706 SUDSFXUWRKGRJF-FQEVSTJZSA-N 429.829 6.317 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 9668100 KWWKITRMNMLSKC-UHFFFAOYSA-N 428.275 5.135 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cccc(-c2cc3ccccc3oc2=O)c1 10128842 NKHWWCYZFYLITR-UHFFFAOYSA-N 433.891 5.910 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2)S(C)(=O)=O)c1 10371242 MGKRPKKOXQDMCO-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB Cc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C(F)(F)F)c3ccccn23)cc1 12342062 JKJXHTUECMMTRA-UHFFFAOYSA-N 437.421 5.332 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1cccc(C(F)(F)F)c1 12428819 IXLPZEIFFQPGRL-UHFFFAOYSA-N 437.487 5.287 0 40 IKAB COc1ccccc1CN(C)C(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 12914104 UFBYGUORTZRGSX-UHFFFAOYSA-N 432.524 5.170 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C 13116898 RCXLMSSNBKQHCA-NRFANRHFSA-N 432.549 5.647 0 40 IKAB CCCCCc1ccc(C(=O)CCC(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 13526081 PCAILMSYEOCYJT-INIZCTEOSA-N 430.932 5.001 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 13562289 HUPHXNZALDIWMI-JXFKEZNVSA-N 432.033 6.106 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccc(C)c(O)c3)/c(=N/Nc3ccc(Cl)cc3)oc12 13894032 JZRACARWPOBJDT-COOPMVRXSA-N 449.894 5.289 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1nc2ccc(Cl)cc2s1 14272443 YDDDWORYROYBQL-ZZXKWVIFSA-N 449.746 7.168 0 40 IKAB Cc1cc(NC(=O)c2ccc(C)s2)n(-c2nc3ccccc3n2Cc2ccccc2F)n1 14360432 OFYQTKHEMWLIMY-UHFFFAOYSA-N 445.523 5.340 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc(Cl)c1OC 15016763 CKEJMSPMXUACNS-JTSKRJEESA-N 426.925 5.661 0 40 IKAB Cc1ccc(C(=O)Oc2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)cc2)cc1 15947840 GCNAASKWBQDLSQ-OYHNWAKOSA-N 432.545 5.829 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c2ccccc12 16291436 RXGQNIRXDKHMSD-UHFFFAOYSA-N 447.321 7.516 0 40 IKAB Cc1ccc2nc(-c3ccc(CNC(=O)c4sc5ccccc5c4Cl)cc3)oc2c1 16348608 UKSZZYWUQQWOBS-UHFFFAOYSA-N 432.932 6.601 0 40 IKAB N=C1S[C@H](C(=O)c2ccccc2)[C@@H](c2ccccc2)N1c1ccc(Br)cc1 16478198 MREHBNKRCIYRIK-CTNGQTDRSA-N 437.362 5.930 0 40 IKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 16751013 JTDXGCUSUDERQT-YKSBVNFPSA-N 447.531 5.086 0 40 IKAB CCCCCn1c(SCc2nc(-c3cccc(C)c3)no2)nc2ccsc2c1=O 16843288 VQHTXTUSHQABIC-UHFFFAOYSA-N 426.567 5.299 0 40 IKAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c1 17095323 XUVGCLXDTZFPRW-JTQLQIEISA-N 427.353 5.348 0 40 IKAB CC(C)(C)c1ncc(-c2ccncc2)c(C2CCN(C(=O)c3ccccc3Cl)CC2)n1 19084747 XVKCYQJDJXYHGA-UHFFFAOYSA-N 434.971 5.509 0 40 IKAB O=C(c1ccc(COc2ccc3ccccc3c2)cc1)N1CCC(Cc2ccccc2)CC1 20058360 OLLYPMWIOCYCAJ-UHFFFAOYSA-N 435.567 6.514 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062042 RKBWUVYAJBVXHY-UHFFFAOYSA-N 442.968 5.310 0 40 IKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)cc2Cl)=NC12CCCCC2 20152241 NIDOOWIJUHWGNK-UHFFFAOYSA-N 435.351 6.065 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1F 20395498 MZQPBFOIKUJYAA-FQEVSTJZSA-N 436.874 5.749 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 21005690 ANTAMWACWZQJIC-XMMPIXPASA-N 425.488 5.034 0 40 IKAB CCOc1ccc(CCNC(=O)c2cccnc2Nc2ccccc2Cl)cc1OCC 22072020 WNKVWUDEONFQQG-UHFFFAOYSA-N 439.943 5.249 0 40 IKAB COc1ccccc1-c1cc(CSc2nnc(N3CCCC3)n2-c2ccc(C)cc2)on1 23043435 KYBSRDDLEVXIIB-UHFFFAOYSA-N 447.564 5.132 0 40 IKAB C[C@@]1(CCc2ccccc2)NC[C@H](c2ccc(Cl)cc2Cl)c2c1[nH]c1ccccc21 25480335 BHMUOSZNNXHPOJ-RLWLMLJZSA-N 435.398 7.058 0 40 IKAB Cc1ccc2cc(/C=C(\NC(=O)c3ccccc3)C(=O)NC3CCCCC3)c(Cl)nc2c1 33435700 ODGSFWGVPYCROI-KQWNVCNZSA-N 447.966 5.416 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C)ccc2Cl)c1 33437594 WYILMJIAGXVGEO-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1)c1ccccc1 39773085 NXVSTIMCRANIIG-NRFANRHFSA-N 441.575 5.028 0 40 IKAB Cc1noc(C2CCN([C@H](C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3)CC2)n1 40156395 GQRFPWGYSYVYKG-FQEVSTJZSA-N 445.350 5.244 0 40 IKAB Fc1ccc(-n2c(-c3ccc(Br)cc3)cnc2SCc2ccccc2)cc1 44087192 QVMUNQVPVSYQQK-UHFFFAOYSA-N 439.353 6.733 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCc3ccccc32)cc1 44903019 HNGRHLFZILLCEK-UHFFFAOYSA-N 431.750 6.462 0 40 IKAB CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@H]3CC)cnc3nc(C)ccc23)c1 49005125 FQYAJIBBOGQZPD-HXUWFJFHSA-N 446.551 5.263 0 40 IKAB CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 57774859 PTWPLXVMNNTQFN-GGAORHGYSA-N 428.020 5.773 0 40 IKAB Cc1ccc(Cl)c(Nc2nc(-c3ccncc3)nc3c2CN(C(=O)C(C)(C)C)CC3)c1 57775133 QWFMNLRHRXAVSC-UHFFFAOYSA-N 435.959 5.175 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4ccccc4)c(=O)c4ccccc34)n2)cc1OC 67245180 KVTMWEAMHMHXKM-UHFFFAOYSA-N 439.471 5.115 0 40 IKAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 72347878 BWVGOIQUWPBTPY-UHFFFAOYSA-N 447.922 5.151 0 40 IKAB O=C(Cc1ccccn1)N1CCC[C@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349478 YBZDMDDGHHQCGN-SFHVURJKSA-N 425.454 5.111 0 40 IKAB Cc1cnc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 72375633 KNIHFLPICSVYKL-IBGZPJMESA-N 426.973 5.540 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=S)Nc3ccccc3)[C@H](c3ccco3)C2=C(O)C1 100425074 RVIPYCANLASKAA-XMMPIXPASA-N 443.572 6.943 0 40 IKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)cc1 100738838 PIBVMDRIXJEHFY-ZYKOEDHHSA-N 428.580 5.349 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1C(c1cccs1)c1c(C)nn(-c2ccccc2)c1O 108423198 YSQWDNOHJHATHR-UHFFFAOYSA-N 442.544 5.328 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@@H](C)C(C)C)C1 123264931 JOBAYBRAHVTSSW-WHAKOKQQSA-N 442.728 8.206 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 218929383 FCLNSXCIZRUTJP-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 222584629 LDVIFZNVVJFYRN-OAQYLSRUSA-N 444.575 5.497 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222677558 YPOJMFXWCKNEPA-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222939345 SUYRDXVMHGIZPC-FGZHOGPDSA-N 425.985 5.932 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223192846 QOEUSSREEFGKTJ-RUZDIDTESA-N 436.571 5.182 0 40 IKAB CCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493597 PRQYBCZPPGDWKO-MHZLTWQESA-N 446.566 5.445 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(OC)c1 224589940 UNGFAJOFVVQKTK-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1CSc1ccc(C)cc1 224667692 KEDBKPGNHUDSQW-UHFFFAOYSA-N 433.617 7.063 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224944763 UGDSZHFNESHTRY-UHFFFAOYSA-N 447.332 6.043 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl 224944842 BAWQXVKBXYFYCP-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 225134742 ZPQVYLHABVZPNN-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(Cl)cc2)c1 225418301 NXUCCICBWLMGCU-JWGURIENSA-N 438.980 5.230 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225662336 QXRHUZLBLWBSNP-CJFMBICVSA-N 440.603 5.604 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1snnc1-c1ccc(Br)cc1 225782441 LXCCEJSFNKPIAH-UHFFFAOYSA-N 443.153 5.204 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)N1c2ccccc2Sc2ccc(Cl)cc21 226363726 KBSHUFSGFONPHU-SDNWHVSQSA-N 447.918 7.582 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408571227 AKCZCIBJFBWJQS-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc(Br)c1OC(C)C 409016522 DBNCPPHQLYSQAB-HMHNVIDESA-N 442.375 5.470 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1Cc1ccccc1 409197234 ZLFZKAWSJATPRC-YZSQISJMSA-N 434.495 5.512 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(F)cc2)cc1OCC 409201701 XIPXVNREHZKLND-UHFFFAOYSA-N 429.273 5.230 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCCN2Cc2ccc(Cl)cn2)n1 2037905334 IJADXELKUVTSGX-GOSISDBHSA-N 428.993 5.378 0 40 IKAB O=C(CCCN1CCC(O)(c2ccc(Cl)c(C(F)(F)F)c2)CC1)c1ccc(F)cc1 538335 LZFSKNPPWIFMFL-UHFFFAOYSA-N 443.868 5.444 0 40 IKAB in-man CC(C)(C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 668811 AJYRNPGMPMKPDR-UHFFFAOYSA-N 431.245 5.250 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)c2)cc1 683003 OICCYXHWDBRVRD-WOJBJXKFSA-N 432.520 5.115 0 40 IKAB CCOc1ccc(NC(=O)c2sc(NC(=O)C3CCCCC3)c(C(=O)OC)c2C)cc1 872042 ZSGVCBWAEIEBOH-UHFFFAOYSA-N 444.553 5.013 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)cc2c1 875404 ZUEFSIXFXMLHPS-LJQANCHMSA-N 445.588 5.376 0 40 IKAB CC(C)OC(=O)CSc1nnc(COc2cccc3ccccc23)n1-c1ccccc1 907510 ZQUIYXHUKAYMQA-UHFFFAOYSA-N 433.533 5.043 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1371554 XKZNXVOIHCXOJS-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB COc1cccc(C(=O)CC(CC(=O)c2cccc(OC)c2)c2ccccc2C(=O)O)c1 1460592 ZYZANICJSDOVCK-UHFFFAOYSA-N 432.472 5.032 0 40 IKAB CCN(CC)CCC[C@@H](C)NC[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 1591938 GWWCVFIERSZNLX-BCHFMIIMSA-N 440.031 5.689 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1 1838203 SNLGNBQGIUANOC-UHFFFAOYSA-N 447.490 6.103 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@H](C)C3)cc1 2185825 KAVDOYAAMZVFRE-HNNXBMFYSA-N 438.980 6.339 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3N2)cc1 2248301 IFCHWHTZJQKMSQ-GOEBONIOSA-N 435.837 5.153 0 40 IKAB CCCCCCn1c(N)c(S(=O)(=O)c2ccc(Cl)cc2)c2nc3ccccc3nc21 2370005 BPZWCLKMEQKMGE-UHFFFAOYSA-N 442.972 5.233 0 40 IKAB Cc1ccc(C)c(NC(=O)CS(=O)(=O)c2cn(Cc3ccccc3C)c3ccccc23)c1 2722263 PXGPBRFKCNUBAG-UHFFFAOYSA-N 446.572 5.027 0 40 IKAB O=C(Oc1ccc(Cl)cc1Cl)C1=C(C(=O)Oc2ccc(Cl)cc2Cl)CCC1 4972389 XCRJELHXZKQLJF-UHFFFAOYSA-N 446.113 6.292 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 6860737 FNPRQZGLXRNPJC-UHFFFAOYSA-N 433.964 6.243 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)N[C@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 8451060 IGTYJHNHTZSASS-AUPVXBESSA-N 437.653 5.728 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(Cl)cc2)sc(Cc2ccccc2)c1C 8861526 NOPFSWNKWGAFPP-UHFFFAOYSA-N 429.925 5.105 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1)N[C@H](c1ccc(F)cc1)c1cccs1 9199652 DIFBNTVSIDKOEL-JOCHJYFZSA-N 437.565 5.130 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2cc(Br)ccc2O)n1CCc1ccccc1 9463496 OZAAVFNKZCSXAO-JLHYYAGUSA-N 447.332 5.278 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1cc2ccccc2o1 9846216 HGNVXULVNPLIML-UHFFFAOYSA-N 447.903 6.021 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(Cc5ccccc5)nc4c3)o2)cc1Cl 10120109 YNZFMPWKMFGNLG-UHFFFAOYSA-N 442.902 6.893 0 40 IKAB CCN(CC)Cc1nc(SCc2cc(-c3ccco3)on2)c2c(C)c(C)sc2n1 10276957 MBQHVGYMQZKSHC-UHFFFAOYSA-N 428.583 5.690 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4occ(-c5ccc6ccccc6c5)c4cc23)cc1 11691933 XRFCKWDAJDOGQO-UHFFFAOYSA-N 432.475 7.343 0 40 IKAB COc1cc([C@@H]2[C@@H]3CCCC[C@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC 12418665 FHCDSSAQYVTDRX-CYSDGLOUSA-N 445.987 5.234 0 40 IKAB biogenic,in-vitro Brc1ccc(C2=Nc3c(ccc4ccccc34)C(c3ccncc3)=NN2)cc1 12486076 GKLYIQRUYUAGPP-UHFFFAOYSA-N 427.305 5.431 0 40 IKAB Fc1ccc(-n2nc(-c3ccccc3)cc2-n2c(-c3cccs3)nc3ccccc32)cc1 12555233 PAXZMWHUHNSXIE-UHFFFAOYSA-N 436.515 6.746 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12566882 ICEDCSIRIITCMQ-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB C[C@H](Sc1nnc(-c2ccncc2)n1-c1ccccc1)C(=O)Nc1ccc(Cl)cc1 12592362 MCZAIEDUWMCLBD-HNNXBMFYSA-N 435.940 5.102 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3onc(C)c23)cc1Cl 12771792 HFZCZVNWLXQUDC-UHFFFAOYSA-N 438.846 5.201 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12859261 TXCLQMKSALKHQJ-ZDUSSCGKSA-N 438.597 5.386 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCCOc2ccc(Cl)cc2Cl)o1 12883292 RTBQSWGARACQHY-LLVKDONJSA-N 429.300 5.827 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)c3ccccc3n2)cc1OC 13004213 ZGXYQIGRCUWYMZ-MRXNPFEDSA-N 444.453 5.334 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)c3ccccc3F)cc2c1 13513909 DQRXEEPZXXELLI-UHFFFAOYSA-N 432.926 6.487 0 40 IKAB Cc1ccc(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 13669339 STQPJARWYFYGIK-HXUWFJFHSA-N 444.641 5.025 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1 13945514 XFUPTBRSIIOCOI-UHFFFAOYSA-N 429.303 5.192 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1C 14081746 MDDBBPXRUKTDCQ-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccc(Cl)cc1)NC1CCCCCCC1 14361082 OMGGNWHXRTWLNX-UHFFFAOYSA-N 429.944 5.305 0 40 IKAB Clc1ccc(-c2nnc3sc(-c4cc(-c5ccccc5)nc5ccccc45)nn23)cc1 15083083 CJKWSLDUQILCQM-UHFFFAOYSA-N 439.931 6.388 0 40 IKAB Cc1c(C(=O)Nc2ccc(F)cc2)sc2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2 15106620 LHYFJQSZNOPYPQ-MRXNPFEDSA-N 448.441 5.941 0 40 IKAB CC(C)[C@H](NCc1nnc2n(C)c(=O)c3ccccc3n12)c1ccc(C2CCCCC2)cc1 15523739 RJTKUXGGGZXNGC-VWLOTQADSA-N 443.595 5.116 0 40 IKAB Cc1c(Cl)cccc1-c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2)o1 16250055 FUDAGDYFCBTJKA-UHFFFAOYSA-N 449.757 5.798 0 40 IKAB Clc1ccccc1CSc1nc(SCc2ccccc2Cl)c2ccccc2n1 16450125 CGPCXSNSFCEGDG-UHFFFAOYSA-N 443.424 7.521 0 40 IKAB C[C@@]1(N2CCCCC2)C(=O)c2cc(Br)ccc2O[C@H]1c1ccccc1Cl 16577324 IFSQQFNRMGQSIP-LEWJYISDSA-N 434.761 5.664 0 40 IKAB C[C@@]12CC3CC(NCc4cc(Cl)ccc4OCc4ccc(Cl)cc4)(C1)C[C@](C)(C3)C2 16605864 HPOAMXMUZSNMFG-JZHSQQRGSA-N 444.446 7.411 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccnc1Cl 17096153 NQELUQIYTNWCON-UHFFFAOYSA-N 428.673 5.558 0 40 IKAB COc1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)cc1 17097302 LLIKQTHPXNEMOI-UHFFFAOYSA-N 430.979 7.161 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3-c3ccc(C)cc3)n2)cc1 17101584 QGKBAIBGSQAMSY-UHFFFAOYSA-N 437.568 6.955 0 40 IKAB CCc1ccc(N2C(=O)C3=C(C2=O)[C@H](c2cccc(Cl)c2)Nc2ccccc2S3)cc1 19645476 MUALGBYQUYFRHU-QFIPXVFZSA-N 446.959 5.989 0 40 IKAB O=C(Nc1nccs1)c1cc([C@H]2CN(C3CCCCCC3)CCO2)nc2ccccc12 19754922 WWLLNTMULYQURW-JOCHJYFZSA-N 436.581 5.040 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1cccc(-c2cc3ccccc3oc2=O)c1 20143691 BNFXIAKLALTOQU-UHFFFAOYSA-N 437.451 5.465 0 40 IKAB O=C(O)COc1ccc(NC(=O)c2ccc(Cl)cc2)cc1-c1nc2ccccc2s1 20157991 WZQMOHXQIBQXSM-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 23193554 XSBPSLHXSBFPQO-GKVSMKOHSA-N 448.950 5.392 0 40 IKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(NC(C)(C)C)s1 24985699 JQNPXRFISXRSMB-UHFFFAOYSA-N 425.576 5.571 0 40 IKAB CCn1c(=O)n(CC)c2cc(Sc3ccccc3)c(NC(=O)c3ccc(OC)cc3)cc21 28049257 OSAMLXLYMKDJFY-UHFFFAOYSA-N 447.560 5.255 0 40 IKAB CCOc1cc(C)c(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)cc1C(C)C 33780397 ZEAMKTLYXVJQDD-RGVLZGJSSA-N 443.521 5.133 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c1C 35362090 VKMZZDBTDJSLIE-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB O=C(c1ccc(OCc2ccccc2Cl)cc1)N1CCC(c2nc3ccccc3o2)CC1 35672609 DIPLLDMCDZGTPJ-UHFFFAOYSA-N 446.934 6.080 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)C1 38753251 SJWOKKFWSDUUDT-LJQANCHMSA-N 434.967 6.617 0 40 IKAB COc1ccc(SCC(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1OC 38773023 VPTCJNJKTJYSHI-UHFFFAOYSA-N 439.602 6.035 0 40 IKAB Cc1cc2nc(N)sc2c(C)c1NC(=O)C(C)(C)Oc1ccc(Br)cc1 45890473 URJCJLIDGHWQPC-UHFFFAOYSA-N 434.359 5.054 0 40 IKAB CC(C)(C)c1ccc(Cn2cc(-c3cnn(Cc4ccc(C(C)(C)C)cc4)c3)cn2)cc1 49581202 INGKPNZKPQXOSP-UHFFFAOYSA-N 426.608 6.438 0 40 IKAB COc1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)nc2c1 57315626 LNOAXKGFPGQLEN-DTQAZKPQSA-N 436.467 6.415 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)cc1 57425408 KMIFEZICQDKXIJ-UHFFFAOYSA-N 449.601 5.361 0 40 IKAB COc1ccccc1Cn1ncc2c1CCC[C@@H]2NC(=O)c1ccc(-c2ccccc2)cc1 57761848 YJIVWYZWOWSBFA-VWLOTQADSA-N 437.543 5.414 0 40 IKAB Cc1ccc(Cl)cc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 58159031 KPGBVJQDJNRORE-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCCCC1 72215690 AOTSEATUGNNVQM-HSZRJFAPSA-N 449.595 6.133 0 40 IKAB O=C(c1cn(Cc2ccccc2)nn1)N(c1cccc(N2CCCC2)c1)C1CCCCCC1 72290489 BZTIMLOFWNXZOU-UHFFFAOYSA-N 443.595 5.296 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H]2c2cc(Nc3ncccc3C)cc(C)n2)cc1 72372650 RYBOXHZKRARFHO-XMMPIXPASA-N 430.552 5.351 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2C(=O)c2ccc(COCC)cc2)n1 72390661 RPPLISJVVMDLNK-DEOSSOPVSA-N 444.579 5.395 0 40 IKAB CCCCS[C@@H](C)C(=O)NCc1c(F)cccc1NC(=O)[C@@H](C)SCCCC 79016002 RTWDVFRSDOJFBT-JKSUJKDBSA-N 428.639 5.224 0 40 IKAB C[C@H](C(=O)Nc1ccc(Br)cc1F)c1cccc(C(=O)c2ccccc2)c1 98073325 IXQGTGOOBMTDFD-AWEZNQCLSA-N 426.285 5.561 0 40 IKAB O[C@@H](c1cc([C@]23C[C@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 100135055 KSGMKNOHFWUIIV-RONBKNPHSA-N 445.434 6.185 0 40 IKAB in-vitro CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc4c(cc3Br)OCO4)C2=C(O)C1 102530997 QDBSMXTXGZNFHG-NRFANRHFSA-N 441.325 6.049 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102720015 ZWMDKRHPXHNYDG-JLCFBVMHSA-N 448.475 5.019 0 40 IKAB CCCCc1ccc(N/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)cc1 103004737 ALXZSEFEQIYNNV-NLRVBDNBSA-N 440.543 5.673 0 40 IKAB Clc1ccc(COc2cccc(CNc3ccc(Cl)cc3Cl)c2)c(Cl)c1 106971903 LXMNTHCBGMDCJG-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB COc1c(Br)cc(C(=O)Nc2ccc(C)cc2C)cc1OCc1ccccc1 108156845 IVWOQQYIFOXMOW-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 108864210 MHPVRNIEPWMZQJ-KSCDAYEDSA-N 444.604 5.239 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 216409226 KAEIPMKSGKDGEM-CJAUYULYSA-N 434.561 5.162 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223092574 DGWWEQCQIFVNCI-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223263715 BHZOLBPEQQONIS-JOCHJYFZSA-N 429.004 5.303 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223310357 JQTWXPLEGSDQBG-SANMLTNESA-N 444.619 5.803 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 223373471 VLHDJCHLDVAPIK-VXKWHMMOSA-N 445.617 5.118 0 40 IKAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493681 SKGDXBFZTBNCOK-HHHXNRCGSA-N 446.566 5.301 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 223605341 QUZCQSZFWUPXPG-QHCPKHFHSA-N 438.612 5.087 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 224233634 DINWRPYPQGKIBU-LJQANCHMSA-N 445.003 5.032 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224267380 ABJSDLXQZUQJMJ-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1Cl 224281956 FHLQBUPPJNVFMJ-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CCc1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccc(C)cc2)ccc1Cl 224340223 ZRDUVJKLSDRZSD-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)c(C)c1 224516127 ZUKLPBZNJFYPPM-INIZCTEOSA-N 426.738 5.066 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 224616253 HKHJPKROTUZHMF-PKTZIBPZSA-N 431.492 5.363 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)s1 224625657 WFKKIVKUDRLQPV-ZEQRLZLVSA-N 443.597 6.421 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N(C)Cc3ccccc3)o2)c(OC)c1 224935702 WSIXACSSMVBXCO-UHFFFAOYSA-N 428.488 5.298 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225049908 WVMSLGPRFQTCNB-LEWJYISDSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cccc(Cl)c1 225378596 QRYQGYVHSFPGCR-XMMPIXPASA-N 441.015 5.181 0 40 IKAB CC(C)Oc1cccc(CCCNC(=S)Nc2ccc(Br)cc2F)c1 225565609 VQLSDZBLJAPYOS-UHFFFAOYSA-N 425.367 5.295 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2cccs2)NC(=O)c2cccc(C)c2)cc1Cl 225596070 JHOFPKPZHWDDSJ-UYRXBGFRSA-N 426.925 5.128 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccc(Br)c(Cl)c1 225703902 BZLWFKYVCNJUOF-KRWDZBQOSA-N 425.779 5.475 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc3c(c2)sc(=O)n3Cc2ccccc2)cc1 225738550 DLANPICIQODCAI-UHFFFAOYSA-N 438.574 5.036 0 40 IKAB COc1ccccc1[C@@H]1CN(Cc2cccc(-c3ccccc3)c2)C[C@]12CCCCC(=O)N2 257302953 SFDBSIXIKAFMIL-LITSAYRRSA-N 440.587 5.391 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC 408554159 CAXPHMZLBURFEK-UHFFFAOYSA-N 435.520 6.317 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccs2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561923 LQHJZBMLCWRHAM-QOCHGBHMSA-N 425.406 6.298 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3)n2)cc1 408694975 NEIKNCFJHPMBAD-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3cccc(C)c3)n2)c1 408724530 LLIAYXPGPMURMU-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)cc2-c2ccc3ccccc3c2)c1 408724542 LSJBODIPNQSXFD-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCCOc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408800584 PYVUZJWWGSMEQR-HETFKXARSA-N 435.613 6.529 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 408923984 IVMCZJSWOGWTPR-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCC4)ccc1OCc1ccccc1 408985791 AYFJDXOQAKAFTJ-UHFFFAOYSA-N 432.545 5.920 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)c(Cl)c2)cc1 409098504 ISHVYBCAWWSIOP-UHFFFAOYSA-N 440.399 6.766 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(-c2cccs2)s1 618256641 VHTFSRNWDKHPLB-HNNXBMFYSA-N 425.497 5.278 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1ccc(C(F)(F)F)cc1 684897 TYGPHIOQXZZUGM-LJQANCHMSA-N 446.454 5.114 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2nnc(SCc3ccccc3F)s2)[C@@H]1C=C(Cl)Cl 702346 KEQRVKWVVMFUJU-GXFFZTMASA-N 432.373 5.499 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H]1C(=O)N(c2cccc(Cl)c2)[C@H]1c1ccc2c(c1)OCO2 720709 JLVOTLFWEAVBET-VXKWHMMOSA-N 442.298 5.566 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(COc3ccccc3)n2-c2ccccc2)c1C 887806 FVJUFUKMYWVATQ-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2Cc2ccccc2)c1 925198 SGTKEXOCNZXESA-UHFFFAOYSA-N 442.588 5.265 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(I)cc2CC)cc1Cl 1263980 LFCWROWOLKEYQZ-UHFFFAOYSA-N 429.685 5.158 0 40 IKAB COc1ccc([C@H]2CC(=O)n3nc(-c4ccc(Cl)c(Cl)c4)nc3S2)cc1OC 1454348 JZGLDCVDDGOVRX-MRXNPFEDSA-N 436.320 5.146 0 40 IKAB COC(=O)c1sc(N/N=c2\cc(-c3ccc(OC)cc3)oc3cc(C)cc(C)c23)nc1C 1916769 MDXLUCDWJBAZJB-NLRVBDNBSA-N 449.532 5.205 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 2056949 VPKSRFNIFUXKDL-UHFFFAOYSA-N 442.902 7.223 0 40 IKAB COc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)c(OC)c1 2087693 JNSMSGKEJNFEBA-FCHUYYIVSA-N 426.310 5.697 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3cccc4ccccc34)c(C)c2oc1=O 2092315 DAYSIRCVUXTYOQ-UHFFFAOYSA-N 430.500 5.638 0 40 IKAB biogenic Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1I 2135343 FMTHOANAJMXXAA-UHFFFAOYSA-N 428.273 5.596 0 40 IKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccc(C)cc2C3(C)C)cc1OCC 2138904 DDGXZSMULMYAAK-ZJYVBTJHSA-N 448.607 5.600 0 40 IKAB biogenic CSc1nc(SCc2ccccc2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2250021 FWOYJBKVBGHTLZ-UHFFFAOYSA-N 437.659 6.866 0 40 IKAB CC(C)c1ccc(-n2c(N)c(S(=O)(=O)c3ccccc3)c3nc4ccccc4nc32)cc1 2376263 LHLHXXFVVCBTGE-UHFFFAOYSA-N 442.544 5.112 0 40 IKAB O=C(CCc1ccccc1)Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C[C@H](c1ccccc1)N2 2413388 HSJLTYFEXFXBIN-PKTZIBPZSA-N 441.510 5.135 0 40 IKAB O=C(Nc1cc(-c2cccs2)nn1-c1ccc(F)cc1)c1cc(Cl)nc(Cl)c1 2576675 SIISXQQPDCMHMW-UHFFFAOYSA-N 433.295 5.694 0 40 IKAB CCCCOc1ccc(NP(=O)(Oc2ccc(C)cc2)Oc2ccc(C)cc2)cc1 2592684 FYBKJIJQEDPLLF-UHFFFAOYSA-N 425.465 7.160 0 40 IKAB CC(C)(C)C(=O)N[C@H](Nc1c(Cl)cc(Cl)cc1Cl)C(Cl)(Cl)Cl 3150451 STKJOJXWEOXECZ-JTQLQIEISA-N 426.986 5.917 0 40 IKAB CCCN(CCC)C(=O)/C(=C/c1ccccc1OC(F)F)c1ccc(-c2ccccc2)cc1 3211351 LEGBAZQWQJRAQX-LKUDQCMESA-N 449.541 7.144 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(-c3ccccc3)cc2)N1c1ccc2c(c1)OCCO2 3346514 VVJGNJWJNSNPOQ-HHHXNRCGSA-N 434.495 5.896 0 40 IKAB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)NC1CCCCC1 3349342 RVLFPQXZIXSELD-UHFFFAOYSA-N 429.636 5.525 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 3636397 RVEAHITWNCGAEX-HSZRJFAPSA-N 434.561 5.204 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCC2)c(C)c1 6195400 VSNNCDHDQXGQIQ-UHFFFAOYSA-N 449.576 5.015 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)c1nc(-c2ccccc2)nnc1-c1ccc(Cl)cc1 8445201 SCVPYUYAHAGMFA-UHFFFAOYSA-N 444.966 5.558 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1nnc(-c2ccc(F)cc2)o1 8746059 OABNDPXTTGYXIA-GFCCVEGCSA-N 425.464 5.462 0 40 IKAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 8810921 MJVHAYHQZXFMQK-UHFFFAOYSA-N 444.503 5.450 0 40 IKAB FC(F)(F)c1cc(Cl)c2nc(-c3ccc(Cl)c(Cl)c3)c(Br)n2c1 8855366 OPQVGYRQDPNDTM-UHFFFAOYSA-N 444.465 6.743 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(O[C@@H](C)CC)cc3)sc2c1 8903266 MBMOOZCFOZGUEF-HNNXBMFYSA-N 426.538 5.683 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 8903662 JASSKKWDGOZALJ-UHFFFAOYSA-N 430.938 5.982 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNCc1ccco1 8983454 FBDWANCKLFRVKK-DEOSSOPVSA-N 436.555 6.027 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc([C@@H](C)Oc4ccccc4F)o3)c[nH]c12 9050437 KVWUDJCCLRPADF-CYBMUJFWSA-N 425.485 5.367 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 9225823 DTFWLIGJHJAGTO-RUZDIDTESA-N 428.513 5.459 0 40 IKAB Clc1ccc(-n2c(COc3ccccc3)nnc2SCc2nc3ccccc3[nH]2)cc1 9243016 HXNCQQUCUOQNCQ-UHFFFAOYSA-N 447.951 5.668 0 40 IKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 9480069 FIKTZYPOVSZRHM-AWEZNQCLSA-N 447.985 5.473 0 40 IKAB S=C(Nc1ccccc1)N(Cc1ccccc1)CC1CCN(Cc2ccccc2)CC1 9482477 CCYFEUPROKITPC-UHFFFAOYSA-N 429.633 5.798 0 40 IKAB Cc1cccc(NC(=O)CN(CC(=O)Nc2cccc(C)c2C)Cc2cccs2)c1C 9494152 HVXUBOYDHQRFTN-UHFFFAOYSA-N 435.593 5.061 0 40 IKAB O=C(c1ccc(F)cc1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 9591345 XKIRESUJPFFCAP-UHFFFAOYSA-N 427.387 5.162 0 40 IKAB Cc1noc(C)c1COc1cc2ccccc2cc1C(=O)N[C@@H](C)c1ccc(F)cc1F 9672112 WGROODYIHKCTHP-AWEZNQCLSA-N 436.458 5.793 0 40 IKAB Cc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cs2)cc1C 9805635 VNLOCYPXLBNMBD-UHFFFAOYSA-N 442.540 6.210 0 40 IKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2ccc(F)cc2Cl)cc1O 11866360 ZYXFQYNYXRQITB-UHFFFAOYSA-N 439.870 6.403 0 40 IKAB biogenic CCCC(=O)N1CCC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183500 BKVMLJLIDIUWNI-JLJPHGGASA-N 426.508 5.111 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)N=c1[nH]c2ccccc2[nH]1 12311669 DHGYVOBKLRLRDM-CCEZHUSRSA-N 445.482 5.236 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccc(O)cc3)n2Cc2ccccc2)c1C 12493984 HGRQMKFRNGADSK-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB Fc1ccc(-n2c(-c3ccncc3)nn(CN3CCC[C@H]3c3cccs3)c2=S)cc1 12544044 LNQKHAHSGDBGIM-IBGZPJMESA-N 437.569 5.460 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 12600515 GZYVZMWMBUTUMQ-UMHPPVOVSA-N 431.356 5.308 0 40 IKAB C[C@@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)C(=O)c1c[nH]c2ccccc12 12740472 PHRBYSXHWZCWST-GFCCVEGCSA-N 449.923 5.019 0 40 IKAB Cc1ccccc1OCCCC(=O)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 12800225 DHSRGCGZVIDGHY-UHFFFAOYSA-N 446.425 5.657 0 40 IKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1nc2ccc(Br)cc2s1 12937932 DXIAZICZHGJTRW-UHFFFAOYSA-N 428.311 5.285 0 40 IKAB COc1cc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)ccc4o3)c2)cc(OC)c1OC 13568803 DOGGTLIRESMMOR-UHFFFAOYSA-N 448.475 5.095 0 40 IKAB CCOc1cc(-c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)[nH]2)ccc1O 13618484 IPAPWLOORXUQBJ-UHFFFAOYSA-N 425.315 6.822 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C[C@H]1CCCO1 13942733 PVGNHLSZDKOIGN-BCHFMIIMSA-N 442.946 6.213 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)cc1 14153667 DLVGKYMOHSRCBP-UHFFFAOYSA-N 435.898 7.212 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)OCc1csc(-c2ccsc2)n1 14641743 NAIINVLTTYVRHX-KRWDZBQOSA-N 434.970 5.023 0 40 IKAB CCc1ccc(NC(=O)NC[C@@H]2CCC[C@@H](CNC(=O)Nc3ccc(CC)cc3)C2)cc1 16161775 LXDWSADKYAPPFI-FGZHOGPDSA-N 436.600 5.561 0 40 IKAB Clc1cccc(-n2nc3c(c2-c2cccc(Br)c2)-c2ccccc2CC3)c1 16524040 IBWYWIJEDCGQJD-UHFFFAOYSA-N 435.752 6.721 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)cc1 17098672 PEAPUGOFZDZEQC-MRXNPFEDSA-N 433.939 6.414 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 17101677 MMRXLLDSVMBNTR-UHFFFAOYSA-N 437.710 6.508 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 19081920 AENVMVXRNXSSGZ-DYESRHJHSA-N 434.411 5.504 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1)c1cccs1 19400731 LUCARIUSSHTQDA-CJFMBICVSA-N 442.588 5.075 0 40 IKAB CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)cc1 19450602 SZNDIVOHKMRXMW-RUZDIDTESA-N 449.620 5.314 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3cccc(C)c3)n2)cc1OC 19641028 ZBVPGNLHQRLYQE-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3nc4ccc(F)cc4[nH]3)c2)cc1 19690658 QCHMHRGXAIOTJK-HSZRJFAPSA-N 430.483 5.058 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1-c1ccc(CO)o1 20152102 ZSPIRIJWBWOPMJ-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCCC3)cc1 20152318 CMBBEYUDBNXAHM-UHFFFAOYSA-N 447.387 5.935 0 40 IKAB COc1cccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Br)nc32)c1 21801292 MMHHBQCYLBPPOU-UHFFFAOYSA-N 448.324 5.123 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1cccc(Br)c1 22053609 CVCYORFBXCGZBW-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)nc1C 24864954 LMXCTJJMRKDEJF-UHFFFAOYSA-N 439.518 5.264 0 40 IKAB O=C(CSc1cccc2cccc(Cl)c12)NCCc1nccn1Cc1ccccc1 26215856 ZDIZDEYHIVGBEE-UHFFFAOYSA-N 435.980 5.189 0 40 IKAB CC(C)c1ccc(-n2cnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 26652736 FPOLMBGWMFAJOG-UHFFFAOYSA-N 442.588 5.712 0 40 IKAB CCOc1ccc(N(Cc2ccc(Cl)cc2Cl)S(=O)(=O)c2ccccc2)cc1 28579257 WFDJPFKUQKLCFK-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32126427 WSTRRIRYEWYPGG-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CCOc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccc(F)cc2)c1C(=O)OC 32611291 CPQWPBLPDPBEOP-UHFFFAOYSA-N 443.496 5.065 0 40 IKAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(F)cc2)c2ccccc12 32911160 GCELBSNIJDNRNJ-OAHLLOKOSA-N 433.508 5.564 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccccc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 35240008 ZKFLQMVAVHGGFP-LJQANCHMSA-N 446.616 6.712 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CN1CCc2sccc2[C@@H]1c1ccccc1 35355111 KRMHTMWWLANUCO-XDHUDOTRSA-N 447.629 5.525 0 40 IKAB COc1cccc(NC(=O)Nc2nc3ccc4nc(SC)sc4c3s2)c1OC 36709066 JFIVRWIUICYAMC-UHFFFAOYSA-N 432.552 5.289 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 39751348 ZQRYRXIURSBKOR-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB COc1cc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c(OC)cc1Cl 39766794 IJPCVTIWHNNJPC-UHFFFAOYSA-N 441.330 5.000 0 40 IKAB CCc1nn2c(ncc3c(=O)n([C@@H]4CCC[C@@H](C)[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397465 QOGRGOCYMYDUNM-VWKPWSFCSA-N 434.971 5.924 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)cc1C 44856678 GERMOBCUGQRWNX-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 57350730 XHFRGGGUSSFUGD-SANMLTNESA-N 447.623 5.098 0 40 IKAB CCCOc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261464 PHPHHXXWNPMQSG-UHFFFAOYSA-N 443.938 5.999 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4cccc(C(C)C)c4)nccn3n2)cc1C 67289975 TZFSMDOOIRWBID-UHFFFAOYSA-N 430.577 5.867 0 40 IKAB COc1ccc(CCc2nc(C)ccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1OC 68682460 QWRSREBUXQTLOF-UHFFFAOYSA-N 435.564 5.314 0 40 IKAB Nc1c(Br)cc2nc(-c3cc(Cl)ccc3Cl)oc2c1Br 70461365 SOIKKRPSLMVXFB-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2CC)cc1 71328019 SHVYYKNKFUTAKY-UHFFFAOYSA-N 437.609 5.737 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3nc(C)c(C)s3)n2CC(C)C)cc1 72191959 VMJFGUKOXSXZPC-MRXNPFEDSA-N 429.615 5.102 0 40 IKAB CCc1oc2ccccc2c1CN1CCC([C@H](NC(=O)C(C)(C)C)c2nccs2)CC1 72394598 ZUUFXHGOBMECTA-QFIPXVFZSA-N 439.625 5.567 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)c3ccccc3)CC2)on1 100743808 FLMNBZJOWFZJGV-SJBKTWHCSA-N 446.595 5.757 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1C 101189262 JFZNCPGMJRIDKL-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB CC1(C)CC2=Nc3nn(-c4ccccc4)c(O)c3[C@@H](c3ccc4c(c3)OCO4)C2=C(O)C1 102584827 MEOOCDYAVBRQEO-FQEVSTJZSA-N 429.476 5.157 0 40 IKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(C(F)(F)F)cc2)CCC1 102597354 JABXHXFHQCVADO-GOSISDBHSA-N 425.410 5.811 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 106982703 VBUAMZVBRZNRHS-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB Br[Sn](C1CCCCC1)(C1CCCCC1)C1CCCCC1 195770036 NCOPORRSZBVXCU-UHFFFAOYSA-M 448.077 7.330 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 216430013 JCDPPCOPHHINSB-FQEVSTJZSA-N 429.560 6.238 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222771797 LMNBLBRWVABVNA-FGZHOGPDSA-N 425.001 5.443 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1cccc2ccccc12 222773956 XLBRKLBVGWVEJM-MRXNPFEDSA-N 443.374 5.243 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)NCCSCc1c(Cl)cccc1Cl 222952831 WEKRESODHUVXGL-LJQANCHMSA-N 426.409 5.817 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 223144359 RFKOGVMNHIOOEA-RUZDIDTESA-N 443.006 5.837 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 223303206 BZUPVWOZLNFIJS-QHCPKHFHSA-N 440.653 5.340 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3cc(C)c(C)cc3C)cc2)cc1 223426428 CJOSXTMCGIKGTA-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1 223649773 POGCVHNDWILKRF-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223746519 IFOBVGUMZDHBNG-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(C)cc1 224102191 IPPHGKZLFLXMAJ-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 224348752 OOPOQACCUQVDFP-DEOSSOPVSA-N 436.983 5.369 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1ccccc1C(C)(C)C 224515016 ILSBGRXSSJCZML-UHFFFAOYSA-N 447.575 5.900 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 224726038 RMRYRIXNAAMJBH-RPWUZVMVSA-N 443.528 5.653 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224896258 OMWICISFFUXLJB-UHFFFAOYSA-N 430.507 6.528 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 224901072 FIBDHEGHMZQHIN-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB Cc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)cc1 225543778 XFNNFWUMRNYCCC-UHFFFAOYSA-N 427.588 7.031 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 225778343 DZSMBSYMUMVAHT-MHZLTWQESA-N 441.958 6.747 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 408587170 ROPRKTAMJITTTR-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408687807 VDLODONKKUPGNM-CYBMUJFWSA-N 439.298 5.884 0 40 IKAB O=C(NC1CCCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704020 INCSDIHATSDLRV-DEOSSOPVSA-N 443.012 5.567 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Cl)c1OCc1ccc(Br)cc1 409111289 BIGCVARUHSLWNJ-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)cc2)cc1OCC 409121511 YFPBPTABACWDSR-UHFFFAOYSA-N 425.310 5.399 0 40 IKAB Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 409205590 QZVBQLUKOQEBKE-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccccc2)cc1 409250646 MHLXHVLNUDBQIV-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCC(OCC2CCCCC2)CC1 525159010 PUMFRUXYUBOUJK-UHFFFAOYSA-N 444.579 5.136 0 40 IKAB CCCCC[C@H]1CC[C@H](C2CCC(C(F)(F)Oc3cc(F)c(F)c(F)c3)CC2)CC1 584578766 OGGGWPPCVOSSBU-POSCCBCBSA-N 432.517 8.269 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2cccnc2)CCN(CCCc2ccccc2)CC1 1848351729 HNUDXMKKHKWRJP-UHFFFAOYSA-N 441.619 5.094 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc(-n2cnnc2)ccc1Cl 679776 WXZZVCCEVUXFLB-UHFFFAOYSA-N 431.908 5.450 0 40 IKAB COCCN(C(=O)c1ccccc1)[C@@H]1CCC2(SCCS2)c2[nH]c3ccccc3c21 1645611 LLMJEIVNXZCLQJ-HXUWFJFHSA-N 438.618 5.424 0 40 IKAB COc1ccc(-c2cc(=O)oc3cc(OCc4c(Cl)cccc4Cl)ccc23)cc1 1805015 FAKYSXRCBSCQMJ-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2c(C)cc(C)cc2C)C4)cc1 2119650 BSWGCTPNPYSONY-UHFFFAOYSA-N 427.500 5.750 0 40 IKAB biogenic CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(Cl)c3)N2C1=O 2255355 LVWGRGMQWYVKHX-AZUAARDMSA-N 440.952 5.122 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc(Cl)c(Cl)c4)c23)cc1 2438150 CNYZYEZZYQNKDR-UHFFFAOYSA-N 445.396 6.949 0 40 IKAB CCc1cc([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 2551878 JKUJEBHLJVDYIB-XMMPIXPASA-N 436.596 6.523 0 40 IKAB C[C@@H](CNc1nc2c(-c3cccc(C(F)(F)F)c3)nnn2c2ccccc12)c1ccccc1 2694374 QYMYNPWHRBEMBS-INIZCTEOSA-N 447.464 6.179 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 2733553 RJKIWYVJVWTPES-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB O=C(CSc1nccc(-c2ccc(Cl)cc2)n1)Nc1ccc(OC(F)(F)F)cc1 2806297 UIHIANPURKJEBA-UHFFFAOYSA-N 439.846 5.426 0 40 IKAB O=C(Nc1ccc(CSc2ccc(Br)cc2)cc1)c1ccc(Cl)cc1 3111175 WRRGJZILSAXEDE-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB c1ccc2sc(CSc3nnc(SCc4nc5ccccc5s4)s3)nc2c1 3273916 OCYWXRJFNWXUCA-UHFFFAOYSA-N 444.657 6.342 0 40 IKAB Fc1ccc(CSc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)cc1 3297335 YUFVAIKBTXGLPN-UHFFFAOYSA-N 447.922 7.037 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(-c4ccccc4)n3)n2CC(C)C)cc1 3320425 QCFPNQIMTVYVCG-UHFFFAOYSA-N 436.606 6.026 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nnc1-c1ccc(C(C)(C)C)cc1 5478548 FBIFKDVBQBXZQF-UHFFFAOYSA-N 426.561 5.441 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=S)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 6408061 RHDROLTZYALVIE-UHFFFAOYSA-N 440.012 6.022 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)c3ccccc3n2)cc1 6601779 RBVUEMZZGMSHGE-UHFFFAOYSA-N 447.332 6.315 0 40 IKAB CCCCN1C[C@@H](c2nc3ccccc3n2CCCCOc2ccc(C)c(C)c2)CC1=O 8587091 FBYDDUYFJDMVBK-QFIPXVFZSA-N 433.596 5.628 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 8831212 CITDFNWGFLGIOO-UHFFFAOYSA-N 443.576 5.288 0 40 IKAB CC(C)CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9185640 BSLOOOCIQWYWBD-UHFFFAOYSA-N 435.618 6.506 0 40 IKAB Cn1c(-c2c(N)n(CCc3ccccc3F)c3nc4ccccc4nc23)nc2ccccc21 9488015 IAWONBXXSIUCHY-UHFFFAOYSA-N 436.494 5.102 0 40 IKAB CC(C)c1ccc([C@@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12750942 UGKPWVXFPQOZKT-RPBOFIJWSA-N 434.605 5.151 0 40 IKAB CCCc1ccc(-c2ccc(-c3nc(S)ncc3-c3ccc(Cl)cc3)cc2)c(F)c1 12858582 CKKJAFHLAOPGCW-UHFFFAOYSA-N 434.967 7.511 0 40 IKAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1c2ccccc2Oc2ccccc21 13097313 MBGNGAVGRWBXPC-UHFFFAOYSA-N 447.844 5.220 0 40 IKAB Cc1cc(-c2nnc(CSc3nc(C4CCCCC4)n(-c4ccccc4)n3)o2)c(C)o1 13118054 TXWJMFGBLMDIFL-UHFFFAOYSA-N 435.553 5.867 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cc(F)ccc1F 13164113 NLXSTKDFYIDQDW-UHFFFAOYSA-N 435.883 5.099 0 40 IKAB CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC 13517308 INXGAHHQCIHNOR-SHHHLKPLSA-N 443.631 6.897 0 40 IKAB Cc1ccccc1O[C@H](C)C(=O)Nc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13632345 ZESOWGPHLLIGAF-LJQANCHMSA-N 430.548 5.951 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 13692707 NYUCNXBLRAMJCH-UHFFFAOYSA-N 447.387 5.549 0 40 IKAB Brc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13770286 GVRVYQAAZNPRCM-AUSIDOKSSA-N 449.304 5.420 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1ccc(Cl)cc1Cl 14070108 HBOCCWILFOCDEN-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB CC(=O)c1ccc(OC(=O)[C@@H]2CCC(=O)N(c3ccc(C)cc3)[C@H]2c2cccs2)cc1 14463897 AMDZXCBRMGUAOU-ZJSXRUAMSA-N 433.529 5.349 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)cc1 16846057 USLQLHZRJLOWQY-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 17085940 SFVPUTHNERPBEZ-SZNDQCEHSA-N 440.996 6.667 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)cc1 17095939 JJHJXZMGHFDCJI-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)cc1 19688155 NIWUQUCGUAKACQ-QHCPKHFHSA-N 432.539 5.159 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1C 20394744 OOGLMRSWEQZGPN-NRFANRHFSA-N 432.911 5.918 0 40 IKAB O=C(Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1)Nc1ccccc1Cl 20530546 JSVRSZPFQKLCOQ-UHFFFAOYSA-N 436.924 6.326 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc(C(=O)CC)c1C 20572814 MOGZTUJHGUCOSH-UHFFFAOYSA-N 446.912 5.387 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 21005609 AABBYOXWBVQSBW-DEOSSOPVSA-N 443.478 5.173 0 40 IKAB Cc1ccc(S[C@@H](CS(=O)(=O)c2cc(Cl)ccc2Cl)c2ccccc2)cc1 22134004 AEEPZVPSSWAKTD-FQEVSTJZSA-N 437.413 6.609 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccccc2Cl)cc1 22275842 JDGGINIVAAVCKX-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(c1occc1-c1ccccc1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 22700055 MQGKXAWESKZTFP-UHFFFAOYSA-N 429.545 5.028 0 40 IKAB CCOc1c(Br)cc(CN[C@H](C)c2ccc(Br)cc2)cc1OC 22783627 GUAFDRJDDKIOLT-GFCCVEGCSA-N 443.179 5.470 0 40 IKAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccc(-c3ccc(F)cc3)s2)cs1 27913950 VMPYIIXZUPHOHI-UHFFFAOYSA-N 428.485 5.834 0 40 IKAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)N1c2ccccc2Sc2ccccc21 31680439 SUWVASKVFGVYCJ-UHFFFAOYSA-N 444.537 5.178 0 40 IKAB COc1ccccc1NC(=O)c1cc(Br)c(OC)c(OCc2ccccc2)c1 35155613 KZJPRFLDKZFBFM-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=O)Nc1ccc(OC)cc1 35289728 PDJTXNOAQABJPB-UHFFFAOYSA-N 427.932 5.194 0 40 IKAB COc1ccc(/C=C2/S/C(=N/c3ccc(Cl)c(C(F)(F)F)c3)NC2=O)cc1OC 35644685 SZCAZTIRHJRZEX-LZYBPNLTSA-N 442.846 5.268 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C[C@H]2C(=O)O[C@H]3C[C@@]4(C)CCC[C@@H](C)C4=C[C@H]32)CC1 63720233 RSUMDFBTCAAZNY-WAEXSRKISA-N 443.031 5.085 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787999 NCIHPRWJIKMVGS-UHFFFAOYSA-N 449.841 5.348 0 40 IKAB Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1ccc(Cl)cc1Cl 84459765 DWXRQMRAQORODI-MDZDMXLPSA-N 433.364 5.471 0 40 IKAB CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)c(OC)c1)c1c(ccc3ccccc13)O2 101169516 FGDHBYCPKLGWOR-HSZRJFAPSA-N 441.531 5.619 0 40 IKAB CC(C)CC[C@H](C)NC(=O)c1ccccc1SCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102362143 CHISSKPFRNWYMB-HVAMYJMISA-N 430.658 5.274 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4cccc(Cl)c4)CC3=Nc3ncnn32)cc1OC 102665115 JMBQVHKBHUJOLX-NYHFZMIOSA-N 436.899 5.014 0 40 IKAB COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 107667052 NHIIDFLPXWVVOC-UHFFFAOYSA-N 446.510 6.616 0 40 IKAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 222765633 IXLGQDZEXBXCHP-FQEVSTJZSA-N 434.967 5.006 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 223047466 VVVWJBXIRVSZCN-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 223367804 FKBCHIFKFGDEQE-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224032280 SXIHLLSVALZHFF-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224174310 JADULSYAVOXQTM-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224181854 ZMDGLQYHTLMKSP-PKTZIBPZSA-N 441.512 5.217 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224408453 VKLMGWAHHUSCQA-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)C1CCCCC1 224556539 LKPSFUQAPKDATL-UHFFFAOYSA-N 427.353 5.313 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224705542 TYXJUNCHXLFLKU-NRFANRHFSA-N 438.637 5.262 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225014036 DNCANFOOMKOBAW-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB COC(=O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225033075 AGNSAZDGUNEQOU-PKTZIBPZSA-N 447.560 5.043 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225094710 JZECIIKGMPMVAN-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1C 225150506 XSACYCMKFBGJIY-DNQXCXABSA-N 447.608 5.298 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccccc3Cl)n2)cc1 225199887 RHHFZLFDQIYLEO-UHFFFAOYSA-N 427.961 5.067 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225239299 YWSFJKNXDUWACW-VQTJNVASSA-N 426.576 5.214 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)cc1 225512079 HYQUUANFGRZBKE-RUZDIDTESA-N 429.589 5.506 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 225516142 LDCJQPLEQCDHJU-XUZZJYLKSA-N 438.612 5.021 0 40 IKAB CC[C@@H](C)Oc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225530306 YFPJRLZPJLJWOJ-QGZVFWFLSA-N 434.407 7.238 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1O[C@@H](C)CC 225753715 HBNCKYAHYHJTBJ-SFHVURJKSA-N 439.552 5.500 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 226337007 QGKBSHAUAIEERO-VKDGWMQASA-N 438.666 5.153 0 40 IKAB Nc1cc(Br)ccc1NC(=O)c1ccc(-c2ccc(Br)cc2)o1 226347949 ZJVKIVMCPSDFNW-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 248204582 ZCRCAFFPDJPSJH-RYQLBKOJSA-N 426.527 5.113 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1 257201029 AFVZDMYBDYHHOV-QFIPXVFZSA-N 443.547 5.044 0 40 IKAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3nn(C)cc3-c3ccncc3C)CC2)cc1 257246321 ITPBZYDOYFEOPB-AQYVVDRMSA-N 446.595 5.031 0 40 IKAB COc1cccc(CN2CC[C@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)c1OC 257304479 SLWPIWRKDYQKLR-KRWDZBQOSA-N 438.593 5.046 0 40 IKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1cccc(Cl)c1 257340335 ZFOLHFIEIBUKNX-SAABIXHNSA-N 446.938 5.642 0 40 IKAB CCOc1c(Br)cc(CNc2ccc(Br)c(Cl)c2)cc1OC 318072053 GWGGQWHFZDZZKQ-UHFFFAOYSA-N 449.570 5.884 0 40 IKAB O=[S@](Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1Br 390822571 CYFQONPEXLWMDW-DEOSSOPVSA-N 432.183 5.621 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)cc1 408576596 XEYCFOLBKWBWFB-CPNJWEJPSA-N 431.841 6.547 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c(C)c1 408695842 TWAKUJJQCRRXTG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3C)nn2-c2ccc(Cl)c(Cl)c2)cc1 408698197 MBTOXVDEWBINSD-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)(C)CC(C)(C)NC(=S)Nc1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408975934 DBFNZRKDDSXNPY-UHFFFAOYSA-N 446.624 6.121 0 40 IKAB O=C1N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1F 409111775 CBMBAKUUKCNRQM-ZDLGFXPLSA-N 431.250 5.485 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 409196801 ZBBZOMTWJBQIGV-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB Cn1c(SCc2ccccc2)nnc1-c1ccc(NC(=O)/C=C/c2ccccc2)cc1 680512 AWQFKBMHNZTZRS-SFQUDFHCSA-N 426.545 5.426 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Br)o1)C(=O)Nc1cccc(Cl)c1 873528 SUUYJABCNOADJI-JTQLQIEISA-N 438.734 5.272 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 900385 OYZYERMVLVPSEV-UHFFFAOYSA-N 443.903 5.917 0 40 IKAB COC(=O)c1ccc2nc(C)cc(Nc3ccc(OCc4ccc(Cl)cc4)cc3)c2c1 949570 WAQBYNWZXJMWDT-UHFFFAOYSA-N 432.907 6.306 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 1397406 YNLQODGXDDBIPT-UHFFFAOYSA-N 435.851 5.378 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(Cl)cc1Cl)C(c1ccccc1)c1ccccc1 2052211 HMYBMERSYPPCCY-UHFFFAOYSA-N 449.790 6.292 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccccc4)c23)CO1 2218701 KYJWRVQLQCESGW-OAQYLSRUSA-N 430.620 5.630 0 40 IKAB Cc1sc2nc(SCC(=O)Nc3ccccc3-c3ccccc3)n(C)c(=O)c2c1C 2337170 YVTXCDYWKWZSDT-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1-c1ccc(OC)cc1 2626345 BJUBZSKMSKENSX-GOSISDBHSA-N 445.588 6.278 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 3011648 LICYRNCXPDLYAF-AZUAARDMSA-N 444.457 5.421 0 40 IKAB O=S(=O)(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1cccc(Cl)c1 3128224 ATNNJSDTVBYIJX-UHFFFAOYSA-N 441.763 5.357 0 40 IKAB Cc1oc2cc(OCc3cnn(-c4ccccc4)c3)cc(C)c2c(=O)c1Oc1ccccc1 3219839 NEVFUNLDUUPYQD-UHFFFAOYSA-N 438.483 5.967 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1ccccc1Cl 3278849 HESOHDPNKOMXOZ-UHFFFAOYSA-N 444.963 5.974 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 3303372 GOWKIXZZVZDUNT-KUHUBIRLSA-N 428.508 5.345 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Oc1ccc2oc3ccccc3c2c1 3352574 PKVGVHHQIDFAQQ-UHFFFAOYSA-N 430.891 6.320 0 40 IKAB Cc1ccc(-c2onc(C(=O)c3ccc(Cl)cc3)c2S(=O)(=O)c2ccccc2)cc1 3848859 VQWAAXLUHWEBME-UHFFFAOYSA-N 437.904 5.367 0 40 IKAB biogenic CCc1ccccc1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 6860725 GLXSIMVELGMPMT-UHFFFAOYSA-N 435.471 5.829 0 40 IKAB C[C@@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 7109655 IYUQEYHXEQDTLP-FVFHPELPSA-N 426.564 5.269 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(N3CCN(c4ccccc4)CC3)c(F)c2)cc1 8666204 YJZHQIMBLUPUCS-UHFFFAOYSA-N 435.568 5.192 0 40 IKAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc12 8682308 UPLYJBUDTFQPAL-UHFFFAOYSA-N 442.320 5.334 0 40 IKAB COc1ccc(OC)c2c1[C@@H]1CCCC[C@@H]1O[C@@H]2c1cccc(NC(=O)C2CCCC2)c1 8816563 GXAPBFIBEHYHFO-YZIHRLCOSA-N 435.564 5.978 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)ccc1NC(=O)c1cccs1 8832303 RQWDUBVPUFCDKD-WEVVVXLNSA-N 447.343 5.968 0 40 IKAB O=C(Nc1cccc2c(NC(=O)c3ccc(F)c(F)c3)cccc12)c1ccc(F)c(F)c1 9354550 KTVONHXVQOAAGK-UHFFFAOYSA-N 438.380 5.901 0 40 IKAB CC(C)n1nc(C(=O)Nc2nc(-c3ccc(Cl)s3)cs2)c2ccccc2c1=O 9417239 GVSKXKJHRUMDPS-UHFFFAOYSA-N 430.942 5.068 0 40 IKAB Fc1cccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)c1 9434047 SNPCCQRIZYMGCX-LVWGJNHUSA-N 434.268 6.110 0 40 IKAB COCCn1c(C)cc(C(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)c1C 9683834 WWVYOLMQZJLXTJ-UHFFFAOYSA-N 442.585 5.083 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1Cc1cccs1 9944307 MPCITEXGPKPRGQ-AREMUKBSSA-N 438.527 6.781 0 40 IKAB Cc1ccccc1-n1c(S[C@@H]2CCCCNC2=O)nnc1-c1ccc(Cl)cc1Cl 10990164 AZRMGMMVNBUFDG-GOSISDBHSA-N 447.391 5.310 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3[C@@H]2c2cccc(F)c2)cc1 12411852 FBUQIMWVPMWSDM-VWLOTQADSA-N 443.478 5.373 0 40 IKAB Cc1ccc(-c2csc(N3CCN(C(=O)CC45CC6CC(CC(C6)C4)C5)CC3)n2)cc1 12462019 NDBMYIRXTKGFQY-UHFFFAOYSA-N 435.637 5.374 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2)C(=O)c2ccco2)c1 12479096 VRXIUUKHVIWMJD-VWLOTQADSA-N 446.547 5.121 0 40 IKAB C[C@H](OC(=O)c1cc(-c2ccco2)nc2ccccc12)C(=O)NC12CC3CC(CC(C3)C1)C2 12541014 ZZPFNMRNVNVKON-ZCZKMIILSA-N 444.531 5.125 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)c(F)c1F 12651135 LVVGVHWCBFBMPZ-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1 13017781 PFWRVWTWTGVCIK-GOSISDBHSA-N 431.923 5.289 0 40 IKAB CC(=O)c1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13025739 UXTHUGVKWZTVPX-DEOSSOPVSA-N 448.494 5.068 0 40 IKAB CCCCN(C(=O)c1ccccc1Nc1cccc(C)c1C)c1nc2ccccc2s1 13129716 VUPVPMDBICUQBE-UHFFFAOYSA-N 429.589 7.104 0 40 IKAB Fc1ccccc1[C@H]1c2cccn2CCN1C(=S)Nc1ccc(Br)cc1 13524472 FLYHLXQMCFIHLI-IBGZPJMESA-N 430.346 5.192 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)N1c2ccccc2Sc2ccccc21 13717225 WSJNBDVLIQOYOX-UHFFFAOYSA-N 426.566 7.673 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(NC(=O)Cc4ccc(Br)cc4)cc3)o2)c1 13941651 IVFSXUKZXZRMPQ-UHFFFAOYSA-N 448.320 5.656 0 40 IKAB CCOc1cc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)[nH]n2)ccc1OC(F)F 13960133 UXHGOMSCAOYHLA-UHFFFAOYSA-N 442.249 5.636 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1nc2c(Cl)cccc2s1 14270794 PGKAEOQKAHZHCF-FNORWQNLSA-N 442.780 5.783 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(/C=C/c3ccccc3)oc2NCc2ccccc2)cc1 15906221 OYQWUBUKIHRUQD-SAPNQHFASA-N 430.529 5.598 0 40 IKAB COc1c(C(=O)NC(=S)Nc2cccc(C)c2)cc2ccccc2c1Br 17096356 PYMNYMRUYRZETE-UHFFFAOYSA-N 429.339 5.046 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)C(Cl)(Cl)Cl 17097703 BRCPZKBHZNAFDO-UHFFFAOYSA-N 431.706 6.471 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17099707 XGCMFXXOSSKIEB-UHFFFAOYSA-N 435.738 6.759 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4nn(-c5ccccc5)nc4c3)o2)cc1Cl 20609891 XXDATRIMFLQPQB-UHFFFAOYSA-N 428.879 5.895 0 40 IKAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1sc2cc(Cl)ccc2c1Cl 20611332 QJVAANRCUJMUFB-UHFFFAOYSA-N 435.361 5.871 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797839 RJFZFKGAGICGIL-UHFFFAOYSA-N 439.441 5.494 0 40 IKAB CCN(CC)CCNCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22075236 PQFPFMKBIZMSSR-UHFFFAOYSA-N 431.407 6.157 0 40 IKAB O=C(NCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 22504520 WHNVTHGZONFAGG-UHFFFAOYSA-N 425.941 5.316 0 40 IKAB Cc1cc(NC(=O)c2cnn(-c3ccc(F)cc3)c2C(F)(F)F)ccc1Br 24376858 XTTPSSOYMAORNI-UHFFFAOYSA-N 442.210 5.353 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C4CCCCC4)cc3s2)cc1 33000482 UWGKXZAUNNULBC-UHFFFAOYSA-N 439.606 5.854 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 33688467 RETQUMRTECUQRB-UHFFFAOYSA-N 425.362 5.734 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352122 POSPTOJRPFMJEK-GGAORHGYSA-N 443.761 7.198 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 36615866 SUUIYVDHVLLGTO-MRXNPFEDSA-N 426.520 5.106 0 40 IKAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cnc2c(-c3ccccc3)cnn12 38829583 YUWHGMJNINDFBR-UHFFFAOYSA-N 430.817 5.629 0 40 IKAB O=C1C[C@@H](C(=O)Nc2nc(-c3cccs3)c(-c3cccs3)s2)c2ccccc2N1 39538414 RWSOEBZOGCBQCM-CYBMUJFWSA-N 437.571 5.665 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@H](C)c1ccc(Cl)cc1Cl 40063187 SPTGZUPRBPYPCG-OAHLLOKOSA-N 431.367 5.427 0 40 IKAB O=C(CCn1ccc2ccc(OCc3ccccc3)cc21)NCCc1c[nH]c2ccccc12 40312980 XROHBBAJVCWPRR-UHFFFAOYSA-N 437.543 5.451 0 40 IKAB biogenic Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccccc3)s2)cc1 41154347 YBTPVTTVHHOPSV-UHFFFAOYSA-N 427.554 6.987 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 44086511 GGSMHRGVVOTRDJ-UHFFFAOYSA-N 427.573 6.195 0 40 IKAB Cc1cc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc(C)c1OCc1ccccn1 46691204 FPXYLJFZZXDPTH-CPNJWEJPSA-N 430.529 5.902 0 40 IKAB CCc1ccc(Nc2cc(C(=O)N3CCC[C@@H](C)C3)nc3cc(OC)c(OC)cc23)cc1 48989355 RYEXVMAGTWSDHZ-QGZVFWFLSA-N 433.552 5.430 0 40 IKAB Cc1ccccc1NC1CCN(C(=O)Nc2ccccc2CN(C)C2CCCCC2)CC1 58310315 TXPZQQQBRGKCGR-UHFFFAOYSA-N 434.628 5.868 0 40 IKAB C[C@H](NC(=O)CCC(=O)N(C)c1nc2c(s1)C[C@@H](c1ccccc1)CC2)c1ccccc1 89905513 XOQIBEZUWPDJNL-RXVVDRJESA-N 447.604 5.036 0 40 IKAB Cc1nnc(SCc2ccc(Cl)cc2)nc1/C=C/Nc1cccc(C(F)(F)F)c1 100104732 NSWCVNWPWDLEQX-MDZDMXLPSA-N 436.890 6.227 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(CC(=O)NC3CCCC3)[C@H](c3ccccc3)C2=C(O)C1 100141893 INOPNVAUVHXHDD-HHHXNRCGSA-N 443.591 6.011 0 40 IKAB CCc1ccc(OCC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c(Br)c1 218867146 VILCRXFSLTUYQU-SFHVURJKSA-N 432.358 5.117 0 40 IKAB Cc1cc(CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)c(C)n1C[C@@H]1CCCO1 222562863 JSFNYQRQLTUDLH-FQEVSTJZSA-N 442.991 5.140 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 222689186 GXNCZORZSHCQSE-WDJPJFJCSA-N 431.630 6.521 0 40 IKAB CC(C)C(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223417738 JPSKZRYEXHBKRB-DEOSSOPVSA-N 434.967 5.382 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cc(C)cc(C)c1C 224277747 FACZHMDBMSTZND-UHFFFAOYSA-N 444.358 6.759 0 40 IKAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 224339744 KSDPQIVNCPZPIE-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCC1(CC)C[C@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 224389285 QSSYGAMKRJMJQA-OFNKIYASSA-N 441.015 5.751 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1cccc2ccccc12 224630597 MHPOSILGGQTVPN-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(Cl)cc3C)o2)c(OC)c1 224932824 TWRKOTVOZXEFJC-UHFFFAOYSA-N 448.906 6.240 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 224945524 XBNOGYAULAYOSB-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 225612228 TVVCRXKIXJXPMQ-GCJKJVERSA-N 445.003 5.058 0 40 IKAB COc1ccccc1Cc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)n3ccsc23)cn1 257259203 KXIBULNDYXGXEB-NRFANRHFSA-N 446.576 5.066 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257269672 MQWLZWDJPRFSRK-HXUWFJFHSA-N 448.523 5.209 0 40 IKAB Fc1ccccc1Cn1cc(CNc2ccc(Br)c(Cl)c2)c2ccccc21 408554835 FWFXELQDRTXBTJ-UHFFFAOYSA-N 443.747 6.857 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(SC)cc2)C(=O)O)n[nH]1 408631506 JSSSEVWENPNROO-SXGWCWSVSA-N 433.942 5.073 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)c(C)c1 408728012 ZDBIKVHCCWXJBC-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@H]12 408756050 XHDXWAWFSOBJLK-BDELYBFDSA-N 441.530 5.924 0 40 IKAB CCCCCCC1=NN(C(=O)COc2cc(C)ccc2C(C)C)[C@@](O)(C(F)(F)F)C1 408953575 MDSSHBYGCKDBGW-NRFANRHFSA-N 428.495 5.307 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409124384 BQDUOIWXJKKYPP-YMGWWJNLSA-N 444.578 7.389 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)C34CC5CC(CC(C5)C3)C4)n2C)cc1 409193617 HYRXTCIQPAQJMG-OHYPFYFLSA-N 442.628 6.373 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3Cl)cc2Cl)cc1Cl 409269517 JZJJZYLLFJPOCU-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1Cl 684393 IOYXCYJUDFIQPV-LJQANCHMSA-N 447.347 5.402 0 40 IKAB Cc1ccc(C)c(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 800053 XMBNESOQBYJEJM-IBGZPJMESA-N 438.515 5.450 0 40 IKAB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccccc1Br 829418 MZSPHRDHKHULFE-UHFFFAOYSA-N 443.153 5.451 0 40 IKAB COc1cc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)C[C@@H]2C)cc(OC)c1OC 849826 QFIXBHWXPCSEAH-UWJYYQICSA-N 432.520 5.305 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)cc2)cc1 888257 TVGKZSNYLIZZLA-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 906690 AGSQTPUNHBQVPR-UHFFFAOYSA-N 436.558 5.048 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 1367026 DBACRDYWNDBBOL-FQEVSTJZSA-N 436.449 5.220 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)c(F)c2)cc1 1380183 PDXOSXMIIAHIMA-XMMPIXPASA-N 434.511 5.482 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc(Cl)cc1Cl 1840769 PVWUASOWEAPIAW-UHFFFAOYSA-N 445.733 6.103 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](c2ccccc2)C2CCCCC2)sc2c1CCCC2 2067419 RXOUXWGJDQGTGR-NRFANRHFSA-N 425.594 6.106 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2418467 YJXKHCHYMFWOOL-HYBUGGRVSA-N 431.532 5.257 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(C)cc4)nnc-3c3cc(OC)c(OC)cc32)c1 2691953 LVKNIONMMZOAGE-UHFFFAOYSA-N 439.515 5.586 0 40 IKAB COc1ccc(OCC(=O)Oc2ccc3oc(=O)sc3c2-c2ccc(Cl)cc2)cc1 2697077 RQJVICVUJUDJDW-UHFFFAOYSA-N 442.876 5.168 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(COc3ccc4c(c3)CCC4)o2)N=C1S 2791797 PFYPTQMGZJZTMD-HZRSJKMUSA-N 444.556 5.577 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@@H]2c3cccc4cccc(c34)[C@H]2Sc2ccc(F)cc2)cc1 3227056 RPPDJUJJHDZQBO-JWQCQUIFSA-N 449.572 6.154 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)cc1 3270464 SXZDEARHVVEHGO-UHFFFAOYSA-N 426.354 5.023 0 40 IKAB COc1ccc([C@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 3615591 BKBWNZKCBLFZRW-XMMPIXPASA-N 436.577 5.261 0 40 IKAB Cc1cccc(OCC(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1C 3655530 JZIFAWACQYYGPT-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB O=C(CN1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 6530162 VYDILBKREWJQQE-HHHXNRCGSA-N 425.576 5.784 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3c(CC)cccc23)cc1 6860516 NKJYOCYACOVYKM-UHFFFAOYSA-N 443.572 5.989 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(OC[C@H]2CCCO2)cc1 7158341 ZMFSLZZUJDQCFF-CEKVKBHZSA-N 431.576 5.965 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3noc(-c4ccccc4)c3c2)sc2c1CCCC2 8753769 ZBEQGVNJKDJBQW-UHFFFAOYSA-N 446.528 5.864 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2C[C@@H]3CCCN3c3cc(C(F)(F)F)ccc32)cc1 8782257 NBHRNDADJIXESO-KRWDZBQOSA-N 438.515 5.181 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 8830995 WWBPZXIDYBJVOQ-UHFFFAOYSA-N 445.544 5.088 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(Cl)cc4)cc3c2C1 8870288 FFNROQRXQSGOTQ-INIZCTEOSA-N 446.012 6.737 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 8871380 NRSGXAAQNKAXPS-SFHVURJKSA-N 431.923 5.267 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)n2C)c(C)n1CCc1ccccc1 9056644 PUVDMQHEZDUZQH-UHFFFAOYSA-N 444.604 5.042 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 9125829 NRIDSHPKZKLLDN-GFCCVEGCSA-N 429.303 5.214 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9159708 ORTBOYKLHTYEIZ-NVQXNPDNSA-N 446.934 6.434 0 40 IKAB c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccccn5)nc4c32)cc1 9210336 PLAGTODDOYBOMK-QFIPXVFZSA-N 427.467 5.625 0 40 IKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)Nc1nc(-c2ccccc2)cs1 9217281 BWVDQKFRWVYUNR-UHFFFAOYSA-N 447.589 5.058 0 40 IKAB C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@@H](C)C1(O)c1ccc(F)cc1 9235900 CRQSSISIXUBQTB-SVQWOZSSSA-N 444.377 6.678 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2ccc(C)cc2)cc1 9307457 HNPYDHXCKQHFCF-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(CC(C)C)c3c(c12)CCC3 9471624 LNWAMJAPYJSXRM-UHFFFAOYSA-N 443.638 5.752 0 40 IKAB COc1ccc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2c1 9525133 RGYLXSUAWCSMKP-UHFFFAOYSA-N 431.542 5.762 0 40 IKAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9603458 QYHMXNJVDBYDBX-CYBMUJFWSA-N 443.623 5.336 0 40 IKAB C[C@@H](NC(=O)CSc1nnc([C@@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 9870492 DTHSDOZFCCBIAI-ZIAGYGMSSA-N 441.484 5.064 0 40 IKAB COc1ccc2sc(N(Cc3cccnc3)C(=O)Cc3ccc(Cl)s3)nc2c1 10061418 IUKGTZQPAYDOLO-UHFFFAOYSA-N 429.954 5.191 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccs2)cc1 11852387 NZRVWGOAZMGHHN-LJQANCHMSA-N 441.350 5.511 0 40 IKAB O=C(Nc1nc2ccccc2s1)c1cccc(C(=O)Nc2nc3ccccc3s2)c1 12360452 SREUNEYXRYARJY-UHFFFAOYSA-N 430.514 5.411 0 40 IKAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)[nH]c2c1 12529885 FBSOIDABRWFNMY-MRXNPFEDSA-N 433.533 5.873 0 40 IKAB O=C(COC(=O)c1cc(-c2ccncc2)nc2ccccc12)c1cc(Cl)ccc1Cl 12619235 JYGOJPVPEMAHIN-UHFFFAOYSA-N 437.282 5.643 0 40 IKAB CC(=O)c1ccc(N2CCN(c3ncnc4cc(-c5ccc(F)cc5)sc34)CC2)cc1 13098581 QOJXTMQTPDGBGU-UHFFFAOYSA-N 432.524 5.027 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)C(c1ccccc1)c1ccccc1 13116917 XWZBTPMWSAPXAW-SANMLTNESA-N 431.539 5.795 0 40 IKAB CCn1c(S[C@H]2C[C@@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13127009 NNHYSSVJYGBLAH-ZHRRBRCNSA-N 444.560 5.285 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c1 13954972 WOSJOIZRSPODCP-UHFFFAOYSA-N 440.499 5.841 0 40 IKAB COc1cc(CN(C)Cc2nc(-c3ccc(F)cc3)no2)ccc1OCc1ccccc1 15308014 SRABAHDRUGLFHW-UHFFFAOYSA-N 433.483 5.095 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccccc2Cl)cc1 16309743 JNPPCSCVWDPZAN-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2cccc(C)c2)cc1 16788953 JZUIUEXAYFTNJS-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCOc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(O)n2)c(C)o1 16841821 FOYDPHLIZPRKFF-UHFFFAOYSA-N 447.560 5.736 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 17096189 FXBWEBAUTHTKLX-UHFFFAOYSA-N 428.879 5.245 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)s1 19632236 VXGXKPBCEDMZSK-ZRLQOBAPSA-N 440.565 5.199 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20046630 QHQWUHNBHWETBU-DEOSSOPVSA-N 430.548 5.072 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cc(Br)ccc1Cl 20138489 YTLLNORJKUAWJP-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB COc1ccc(CN(C(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1OC 27664552 VBGFVKOHXHMGCZ-QGZVFWFLSA-N 440.927 5.061 0 40 IKAB Cc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 28527496 QNDQIYJUVURKSI-UHFFFAOYSA-N 444.366 5.858 0 40 IKAB CCOc1ccc(C(=O)Nc2nc3cc(Cl)c(OC)cc3s2)cc1Br 32127581 ZSWZTJZANYGDEF-UHFFFAOYSA-N 441.734 5.372 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 36536024 RJJBNZOLYQZPJQ-OMAACGPBSA-N 429.541 5.825 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2cccc(-n3cccc3)c2)cc1COc1cccc(C)c1 36611238 QMFJAXNDUBBJIG-OAQYLSRUSA-N 440.543 5.864 0 40 IKAB O=C(NCCSCc1ccccc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38837061 ISCXEEHHORZPNG-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cn(Cc2ccc(NC(=O)c3ccccc3)cc2)cn1 49421994 KRGGJXXKZJGSGV-UHFFFAOYSA-N 444.922 5.398 0 40 IKAB CCOc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)cc1 67295658 LSYRWTJMYKWEMC-RFBIWTDZSA-N 429.476 5.028 0 40 IKAB Nc1c(Br)cc2nc(-c3cc(Cl)cc(Cl)c3)oc2c1Br 70461364 AVRJWUVBSMKEFS-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB Cc1cc(Nc2nc(C)cs2)cc([C@@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372624 XKLKALRZHJIZKG-FQEVSTJZSA-N 449.605 5.794 0 40 IKAB Cc1cccc(C2(CNc3cc([C@@H](C)Cn4nc(C)c(C)c4C)nc(C)n3)CCOCC2)c1 72373182 CJDGKHFCNZWEPV-IBGZPJMESA-N 447.627 5.179 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccnc5)cc34)cs2)cc1 96154490 YSKFRPRMJASZND-UHFFFAOYSA-N 426.501 5.252 0 40 IKAB O=C1O/C(=C\Nc2cccc(Oc3ncc(C(F)(F)F)cc3Cl)c2)c2ccccc21 100334701 UYZVTHAZUASFPO-WQRHYEAKSA-N 432.785 6.127 0 40 IKAB COc1ccccc1C(=O)N1c2ccccc2N=C2C[C@@H](C)CC(O)=C2[C@H]1c1ccco1 102680537 AHAKRYMTYTYSOB-PUAOIOHZSA-N 428.488 6.004 0 40 IKAB CCCCOc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 102929314 GRJNWRXXNJHRPG-MHZLTWQESA-N 446.591 7.068 0 40 IKAB C[C@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]12 102984705 GWQANDHBBDBMJY-HWJGEBQJSA-N 433.507 5.012 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccc(F)cc1 214221435 JKONPKUCBDMPGS-YBFXNURJSA-N 447.409 6.341 0 40 IKAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219119427 YCMCZPYFWUEFGX-WMZHIEFXSA-N 444.641 5.023 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 222415226 VQLFGKLVIXXPNA-QHCPKHFHSA-N 426.626 5.118 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222715042 SZWXNTMUSHHTIQ-SFHVURJKSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 223067972 NYWLMARYYIOZPS-OALUTQOASA-N 447.044 5.295 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223362179 GFGRSTYBYLYNAS-BJKOFHAPSA-N 445.544 5.506 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)NC(C)(C)C)cc1 223396811 DTYOMBMZQJDNGN-HSZRJFAPSA-N 443.031 5.557 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(C)cc1 224467374 XJYXRTOZCDEIIV-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1Cc1ccco1 224595888 GFSPSTCSSRWDOY-ZEQRLZLVSA-N 444.560 5.024 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)c3ccc(OCc4ccccc4Cl)cc3)ccc21 225102548 HDFWEYHCCIMXAI-UHFFFAOYSA-N 438.936 5.568 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225338563 RSHFOTPTOZVCMQ-ROUUACIJSA-N 449.422 5.485 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c1 225341334 JVJMXVXYDRDSPP-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225652208 RERRGOPGEGKVBV-AREMUKBSSA-N 432.649 6.036 0 40 IKAB CC(C)n1c(CN2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)nc2ccccc21 257212046 CBRTWPHQYDOXMV-HSZRJFAPSA-N 442.582 6.122 0 40 IKAB CCc1ccccc1CN(Cc1ccccc1)C(=O)COc1c(Cl)cccc1C(=O)O 257289597 PZJCBCLPDCPGCF-UHFFFAOYSA-N 437.923 5.208 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc3ccccc23)n(CC)c1-c1ccc(Cl)cc1 408561303 HNIHHFXCEDZFNT-RFBIWTDZSA-N 434.992 6.737 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)/C=C/c3ccc(OC)c(OC)c3OC)ccc21 408563806 QSVWWINQGHXQOS-RVDMUPIBSA-N 430.504 5.492 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)cc2)cc1 408573304 AWTWFAVOZJEOHK-VMPITWQZSA-N 442.628 5.759 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1 408577497 SVJPVBCBAKGBIC-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB O=C(O)c1cccc(NCc2c(OCc3cccc4ccccc34)ccc3ccccc23)c1 408614230 ZZNPFDHWTHJDNL-UHFFFAOYSA-N 433.507 6.882 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1Cl 408642525 NBPJPFQBALSOJC-LJQANCHMSA-N 448.950 6.049 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3C)C2)c(C)cc1Br 408648470 YGPNKLFSSOFZGC-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)cc1C 408694492 JOLLXOUMANQBPH-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CN(C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)c1ccccc1 408981963 WUPZVYRZMNDHSS-UHFFFAOYSA-N 442.569 6.755 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409115767 HCRBUFRYRAEUMS-YBYSYWPNSA-N 444.578 7.389 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCOC)C2=O)ccc1OCc1ccccc1Cl 409148447 ZEGQZDUBEMLUKS-DEDYPNTBSA-N 447.940 5.000 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1cc(C(F)(F)F)ccc1Cl 409173643 NMUUCZYKBGVTNJ-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(Cl)c1OCc1ccccc1Cl 409176797 YAHQHBQJHRIYGA-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 409180024 UQZBYOFVSBLBLR-GDLZYMKVSA-N 432.567 6.923 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1c(Cl)cccc1Cl 409256141 OBTCSUZPXFYDJX-UHFFFAOYSA-N 425.381 5.395 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1cccc2ccccc12 1615055674 KZZOIKVLHMOLJX-HXOBKFHXSA-N 442.481 5.109 0 40 IKAB Oc1ccc(C(=C(c2ccccc2)c2ccc(Br)cc2)c2ccc(O)cc2)cc1 1911925525 FZKSOPKPNLVTRF-UHFFFAOYSA-N 443.340 6.868 0 40 IKAB CCn1c(COc2cccc3cccnc23)nnc1SCC(=O)c1ccc(Cl)cc1 730203 FKFVXSZGBWKKIF-UHFFFAOYSA-N 438.940 5.054 0 40 IKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(Br)o1 911470 ILXXEDFZPFQRSH-UHFFFAOYSA-N 439.309 6.534 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1cccs1 1333448 JZYPLFIAKSXFAZ-VWLOTQADSA-N 446.616 5.623 0 40 IKAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1355719 RUIJMZABCVBEJA-UHFFFAOYSA-N 446.576 5.235 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/N=C(c4ccc(Br)cc4)OC3=O)cc2)c1 2084826 NOHBXQCJLHZBDZ-HYARGMPZSA-N 448.316 5.681 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1cccc(F)c1 2094017 LLVSVIATXHWDHL-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB C=Cc1ccc(COc2ccc3oc(-c4ccc(OC)cc4)c(C(=O)OCC)c3c2)cc1 2107266 GYMRSVSJXDJRGB-UHFFFAOYSA-N 428.484 6.507 0 40 IKAB biogenic COc1ccc2c(c1)c(C(=O)COc1cc3oc(=O)c(C)c(C)c3cc1Cl)c(C)n2C 2120435 CTBJVQJQBOPKOT-UHFFFAOYSA-N 439.895 5.134 0 40 IKAB biogenic O=C(CSc1nnc(-c2cccs2)o1)Nc1ccccc1Sc1ccccc1 2660273 CRNIPYUFBRQKFT-UHFFFAOYSA-N 425.560 5.680 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ncc(Cc3ccc(Cl)cc3Cl)s2)cc1 2669429 FEFVYYPLDWZZRK-BJMVGYQFSA-N 431.388 6.816 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nc3c(c2=O)SCC3)cc1 2719785 IRXYSAYUZKUQAV-UHFFFAOYSA-N 434.508 5.500 0 40 IKAB O=C(Nc1ncccc1Cl)c1cc(-c2ccc(Cl)cc2Cl)nc2ccccc12 2751739 SZSRSFQRPFDNBB-UHFFFAOYSA-N 428.706 6.509 0 40 IKAB Cc1oc2cc(OC(=O)c3cccc(F)c3)ccc2c(=O)c1-c1c(F)cccc1Cl 3292209 ZALVLTKESJANPM-UHFFFAOYSA-N 426.802 5.919 0 40 IKAB Cc1nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c2c3c(sc2n1)CCCC3 4183397 BKRTURNQBCANIH-UHFFFAOYSA-N 427.639 5.056 0 40 IKAB COc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)ccc1NC(=O)C(C)C 5944587 GNFCWEOXAXUMGM-UHFFFAOYSA-N 447.560 5.084 0 40 IKAB CCn1c(SCC(=O)Nc2cc3oc4ccccc4c3cc2OC)nnc1-c1ccco1 8620010 IKDOPLXPCPTLLC-UHFFFAOYSA-N 448.504 5.197 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)cc1 8752507 ACNYPHBPSPDGNO-SFHVURJKSA-N 431.923 5.267 0 40 IKAB COc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccccc3F)C2)cc1 8843080 IDHVBTBLDQOBHL-QFIPXVFZSA-N 425.301 5.953 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844041 FQRHQNWWEJYTPY-UHFFFAOYSA-N 435.405 5.787 0 40 IKAB O=C(Nc1ccc(/C=C/c2nc3ccccc3s2)cc1)c1ccc(Cl)cc1Cl 8888297 INFAOCQGZBDZCY-KPKJPENVSA-N 425.340 7.026 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 8943103 DQJOQAIVJHXUHH-MRXNPFEDSA-N 432.524 5.408 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccccc3)cc2)c2c(O)nn(C3CCCCC3)c2N1 9076147 CFMVIHQNNKGHAW-HSZRJFAPSA-N 449.576 5.448 0 40 IKAB CCSc1nnc(-c2ccc(C)c(NC(=O)c3ccccc3OC)c2)c2ccccc12 9159014 AVOFHHIAARGVKL-UHFFFAOYSA-N 429.545 5.978 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 9200112 KHYOYLKHYAWRAO-HSZRJFAPSA-N 429.472 5.147 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(N(C)C)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9309145 GXJADGUMOGNENQ-UHFFFAOYSA-N 437.613 5.059 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2cccc(C)c2)cc1 9309233 PQDKIMFKNDXSNX-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CC(C)Oc1ccc(CNc2ncnc3c2sc2nc4c(cc23)COC(C)(C)C4)cc1 9309361 FAJNRMFMDIONCJ-UHFFFAOYSA-N 434.565 5.490 0 40 IKAB Cc1ccc2occ(CC(=O)Nc3c(C(=O)c4ccc(Cl)cc4)oc4ccccc34)c2c1 9430842 ACSJHOFYRKIRPM-UHFFFAOYSA-N 443.886 6.553 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1cc(Br)ccc1Cl 9569222 XGNJCUCFZUOCCS-UHFFFAOYSA-N 433.733 5.044 0 40 IKAB COc1cc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)cc(OC)c1OC 9805715 JDZJAXUVISEERY-UHFFFAOYSA-N 429.520 5.392 0 40 IKAB CCCCCC(=O)Nc1ccc2oc(-c3cccc(I)c3)nc2c1 9851008 MLNUYIYFCXHNJG-UHFFFAOYSA-N 434.277 5.618 0 40 IKAB Cc1nn(-c2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12 12444847 LXMITXNIJQWWSA-LJQANCHMSA-N 439.559 5.635 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccccc2)cc1 12496289 WKTDEWPCBKSSRH-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(C)c(NC(=S)Nc2ccccc2C(C)(C)C)c1 12514442 BZWIGCNXEMGXRK-UHFFFAOYSA-N 433.643 5.132 0 40 IKAB CCCCn1c(-c2ccc(Br)cc2)cs/c1=N\c1ccc2[nH]c(=O)[nH]c2c1 12560629 YPUQHFJAIIQMHG-XDOYNYLZSA-N 443.370 5.181 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)C3CCCCC3)cc12 12644500 DCYAFRNLDGTZIL-UHFFFAOYSA-N 436.983 5.907 0 40 IKAB Cc1ccc(-c2c(C(=O)c3cccs3)c(C(F)(F)F)nc3sc4c(c23)CCC4)cc1 12892862 ZWDZCLGEUATOHX-UHFFFAOYSA-N 443.515 7.072 0 40 IKAB O=C(c1ccccn1)N(C[C@@H]1CCCO1)c1nc(-c2cccc(C(F)(F)F)c2)cs1 12930322 TZVXTVRNXXIVDB-INIZCTEOSA-N 433.455 5.050 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1Br 13138558 DQLBNYGEEFOJCR-UHFFFAOYSA-N 438.321 5.153 0 40 IKAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(=O)N(C)Cc3ccccc3)s2)cc1 13140375 FWRCLWOKDRPECZ-INIZCTEOSA-N 426.611 5.544 0 40 IKAB Cc1ccccc1C(=O)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1cccs1 13502654 UVLCJQGIAJYKQM-UHFFFAOYSA-N 449.601 5.076 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CC[C@H](c1ccccc1)C2)c1ccc(F)cc1 13575995 HXPVJQNXWZYYOY-FQEVSTJZSA-N 439.486 5.686 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccc(Cl)cc1 13925439 NJRWNSWIILKMKK-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 14075506 QFUCAJPXSBZCLS-GOSISDBHSA-N 444.560 5.151 0 40 IKAB COc1ccc(-c2csc(NC(=O)/C=C/c3cc(Br)ccc3OC)n2)cc1 14272497 AWWDCPRPCMDAAV-BJMVGYQFSA-N 445.338 5.242 0 40 IKAB CCCCc1ccc(NC(=O)C[C@@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15390949 NHCMDNGGMFMMOT-NRFANRHFSA-N 449.016 5.255 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 15411319 IEKRFIMXVUCGLO-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1c(F)cccc1Cl 16196280 LXGWDLQQACXIIH-UHFFFAOYSA-N 429.963 5.981 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1 16362257 LDJQZTQVGZLSSB-UHFFFAOYSA-N 428.598 5.081 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 16902525 DXPREYQJWKUNRD-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 19946349 MLDMHLCKIHGZHI-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB C[C@H]1Nc2nc3ccccc3n2C(c2cccc3ccccc23)=C1C(=O)Nc1ccccc1 20428817 DFABJIGWHQIWRJ-GOSISDBHSA-N 430.511 5.902 0 40 IKAB Cc1csc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)n1 20508454 GOYKRFFEUZDRIR-OALUTQOASA-N 425.579 5.088 0 40 IKAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(-c2ccccc2OC)n1CC 23055177 VAFORXZBKZIQBD-UHFFFAOYSA-N 437.521 5.189 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)[C@@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc23)cc1 24483415 HWXFOWKAPSJQIW-PGRDOPGGSA-N 430.379 5.066 0 40 IKAB CCN(C(=O)COc1cccc(C)c1C)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993286 QUCRXXYLJVRQBW-NDEPHWFRSA-N 442.559 5.810 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N(Cc2ccc(Br)o2)c2ccccn2)ccc1Cl 28286843 BYTMOPLKBNNDPJ-AWEZNQCLSA-N 449.732 5.400 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cccc(C)c3C)n2)cc1 32622293 DYHWPXREGZYHRT-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CC(C)C)c(C)o2)cc1 32984665 LNRUFZWRIHQNNF-UHFFFAOYSA-N 449.576 5.707 0 40 IKAB CCn1ncc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)c(Cl)c4)noc3n2)c1C 36617360 JKIFMSRFGYUGGZ-UHFFFAOYSA-N 441.240 6.407 0 40 IKAB O=C(CCc1nnc(-c2ccsc2)o1)Oc1ccc2cc(Br)ccc2c1 40050978 CMWCWGGXPOSQAX-UHFFFAOYSA-N 429.295 5.252 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(OC)c(Cl)c2)cc1 58130149 NPOPBFXSFXZAIP-UHFFFAOYSA-N 433.895 5.462 0 40 IKAB COc1ccc(CC[C@@H]2CCCCN2C(=O)c2cccc(Br)c2)cc1OC 58264337 ZKVKBTZBVUVRAH-IBGZPJMESA-N 432.358 5.094 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)o2)c1 59179599 SWXDXMOBSRWKHH-UHFFFAOYSA-N 439.581 5.935 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(Cl)nc3Cl)ccc2OC(F)F)cc1 60098714 SIQHDEBYNSSFJF-UHFFFAOYSA-N 439.245 5.918 0 40 IKAB COc1ccc([C@H](C)Nc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)cc1OC 67288509 FWTDAPZDQNSJDI-INIZCTEOSA-N 437.515 5.190 0 40 IKAB Cc1oc(C2CCN(CCC(=O)Nc3ccc(F)c(F)c3)CC2)nc1-c1ccccc1 72304928 RXBYOHAAMCMLOO-UHFFFAOYSA-N 425.479 5.136 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 72330476 NEXFORKBUORCEF-BYLRJITOSA-N 439.603 5.297 0 40 IKAB CCN(C(=O)c1cnc(-c2noc3cc(N4CCCCC4)ccc23)s1)C1CCCCC1 96154634 FHAGBWAKJKIBBE-UHFFFAOYSA-N 438.597 5.736 0 40 IKAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 96581567 ROJAJBSDMWJQBH-IAGOWNOFSA-N 444.553 5.557 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 100571887 FXSYYMGBMPXVBO-GYLYUABWSA-N 444.531 5.166 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 100769407 BZNIIOGSANMIET-SUPOGDQMSA-N 442.728 7.238 0 40 IKAB COc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccc(C)cc23)cc1 101379445 GYMAZIPAEUISPB-ORIPQNMZSA-N 439.584 6.490 0 40 IKAB CCCN1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 102671297 HTLLYNIQBSCNJA-ZTOMLWHTSA-N 438.571 7.129 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3cccc(C)c3C)cc2)S(C)(=O)=O)c1 113963700 XNCNUCSFPSOIPW-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC(=O)O[C@@]12CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]3[C@@]1(C)CC[C@H](O)C2 118926820 HBEWKQFSPOXTPI-JNDVAAQDSA-N 446.716 7.154 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222825542 DYTFXJIMCGVMGN-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CC(C)CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223134286 VPVDLASYHLPJQC-HSZRJFAPSA-N 429.004 5.098 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1Cl 223365880 CKXYGUPVXBTYFQ-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223794494 SDHGIMQCFNMPDA-HSZRJFAPSA-N 429.004 5.223 0 40 IKAB O=C(NCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 224119827 VESRZRGZOHSJJD-DEOSSOPVSA-N 440.996 5.344 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1Cl 224315377 CHIUDMZMJYOHJP-UHFFFAOYSA-N 447.918 6.342 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 224330246 GIJYSOVURPOJHD-RPBOFIJWSA-N 439.588 5.066 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224472913 WRPJWQYOWNQIKU-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224643562 NQCMFWBKEZLLKB-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 224665748 QBFVWLZEUVPWFY-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224666458 ZMHJTVDMDSPXAF-LJQANCHMSA-N 441.015 5.311 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(C(F)(F)F)cc1 224886598 BMFDTDZYKYQIMC-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 225055680 RUTRXFCSDYZBBY-SANMLTNESA-N 434.624 5.492 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OCC 225762445 VVHQZQXCIDMFJH-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225866316 MKSJSOKNZUPIRP-UHFFFAOYSA-N 448.346 6.235 0 40 IKAB Cc1ccc2c3c(oc2c1)[C@H]1OCC2(CCN(C(=O)c4ccccc4)CC2)C[C@@H]1C(C)(C)C3 257251811 JSIMEXXWILEURD-OZXSUGGESA-N 443.587 6.324 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)n1 257319748 VTXSASCKMBCTTJ-HCGLCNNCSA-N 442.607 5.685 0 40 IKAB CC(C)c1ccccc1NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O 408547645 KPAJFRRGVPBBTM-UHFFFAOYSA-N 449.787 5.175 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2OC)cc1 408557993 RGRRDVUYERRZOE-UHFFFAOYSA-N 440.927 5.295 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C)ccc1OCc1ccccc1 408559011 WYPPDAOPMCZBDY-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1ccc2ccccc2c1/C=C(\Sc1nc(-c2ccc(Cl)cc2)n[nH]1)C(=O)O 408631975 BYCSOUVHMWTNHZ-UNOMPAQXSA-N 437.908 5.505 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nc2ccccc2o1 408633663 LJOLWAUWUKKQGK-ZDLGFXPLSA-N 432.284 6.612 0 40 IKAB O=C(Nc1cccc(C(=O)N2[C@H](C(=O)c3ccccc3)[C@H]2c2ccccc2)c1)c1ccccc1 408683960 NVTAUHNGCCJDNZ-FKCWEYQYSA-N 446.506 5.388 0 40 IKAB Cc1ccc(C)n1N(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(Cl)c(Cl)c1 408689025 XQEUUXVNUMVVTK-UHFFFAOYSA-N 442.173 6.697 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3)nn2-c2ccc(C)c(Cl)c2)cc1 408693710 CHFSMRYUMNYSRX-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2C)c1 408697964 KKIYXZNZYDSFIL-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1 408786229 HJHSYCRJPBKRBK-SJJVXOANSA-N 430.573 5.736 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1OC 408819263 YWHPFAFSDXMSOG-PHPGQWLJSA-N 437.585 5.758 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)C(c3ccccc3)c3ccccc3)sc1CC2 409053561 ZQOSHJWJRTYBMR-UHFFFAOYSA-N 440.568 5.996 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccccc1F 409075445 VQGVPNJKAMPEHR-FYJGNVAPSA-N 438.911 5.723 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2)c1 409094998 ATWDWYIMGKHFGL-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)o2)cc1 409130509 IGGNOOFRNYOVNJ-XQNSMLJCSA-N 431.513 5.818 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2C)c1 409151673 IKJLSUQWGSHWMF-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccc(F)cc3)cc2)cc1Cl 409171701 FKXFQUBLQDRSSH-WLRTZDKTSA-N 444.915 5.240 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNc2ccccc2Cl)cc1 409176631 TVWVUBIRNOFCRJ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c1 409341710 GIUFQDZDTGGRMI-MTJSOVHGSA-N 438.549 5.013 0 40 IKAB O=S(=O)(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccc(C(F)(F)F)cc1 585151824 RWVMELJIHCEERY-UHFFFAOYSA-N 435.452 5.178 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1cccc2ccccc12 1615056236 WADRGKUSGUGSIB-SBUREZEXSA-N 442.481 5.109 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc5c6c(cccc46)CC5)nc3c2)cc1 997036 MQLNKXPBBUAOEI-UHFFFAOYSA-N 434.495 6.073 0 40 IKAB COc1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)cc1 1223114 CDVZQWLLMHZXIN-CQSZACIVSA-N 441.622 5.582 0 40 IKAB Cc1cccc(N(C(=O)Cc2ccsc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)c1 1364946 HKGOMVARGWYOEP-AREMUKBSSA-N 446.616 5.822 0 40 IKAB CCc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1 1365839 VITXABVMSCPPGN-LJQANCHMSA-N 438.515 5.396 0 40 IKAB O=C(CSc1nc(CCc2ccccc2)nc2sc3c(c12)CCCC3)N1CCCC1 1372106 UANRQTBMAVKDHO-UHFFFAOYSA-N 437.634 5.070 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1C 1408527 IJFSRDBTGVTCCW-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB Nc1nc(CSc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)cs1 1428454 QALVXLGLHQQPCF-UHFFFAOYSA-N 448.404 5.631 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)cc1 2188233 BDILBZNXQKSMOJ-UQQQWYQISA-N 425.528 6.216 0 40 IKAB O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@@H]2C(F)(F)F 2227941 WOJJERBNUDMKTD-TZMCWYRMSA-N 440.878 5.188 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc2cc(Br)ccc2oc1=O 2283012 FDOJHLWVFOFQED-UHFFFAOYSA-N 446.606 5.480 0 40 IKAB O=C1OC(c2ccccc2Cl)=N/C1=C\c1ccccc1OC(=O)c1ccc(Cl)cc1 2293980 GZMHJTRHVYEQLG-UYRXBGFRSA-N 438.266 5.557 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2F)C[C@H]1C 2311971 OIVJVRFFZGVHGX-FQRUVTKNSA-N 444.550 6.529 0 40 IKAB CCOc1ccc(OCCSc2nn(-c3ccc(Cl)cc3)c(=S)s2)cc1 2635984 NHLPZALHEAGBJZ-UHFFFAOYSA-N 425.000 5.886 0 40 IKAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NS(=O)(=O)c1ccc2ccccc2c1 2732575 IVGLMIVTBAFUNL-UHFFFAOYSA-N 443.931 5.295 0 40 IKAB CCCOC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)/C=C/c1ccco1 2762383 DMMIVYGJMRWBGM-VAWYXSNFSA-N 431.513 6.380 0 40 IKAB Cc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C 2798562 ONMKWPGPDIZUAQ-OAHLLOKOSA-N 431.483 5.899 0 40 IKAB O=C(c1c(OCc2ccccc2)ccc2ccccc12)[C@H]1O[C@@H]1c1cccc2ccccc12 3120649 LOBFDLUNBQVSCS-LOYHVIPDSA-N 430.503 6.895 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 3191696 FKWFYMVEYVLLCG-UHFFFAOYSA-N 441.358 6.796 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccccc1NC(=O)C1c2ccccc2Oc2ccccc21 3304970 JBXCOPHWJIDIEV-UHFFFAOYSA-N 438.458 5.954 0 40 IKAB CCCCCOc1ccc(C(=O)OCC(=O)Nc2ncc(Cl)c(C)c2Cl)cc1 3370354 IAXAPFSZHPSHBS-UHFFFAOYSA-N 425.312 5.061 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 3446848 AIBBLDAVWHKKHQ-HRAATJIYSA-N 445.592 5.856 0 40 IKAB CCCCc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@H](c1ccc(Br)cc1)N2 3672753 NMIDGHGSVHONLN-VXKWHMMOSA-N 430.386 6.589 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 5948944 IKFKVICXCRQSCP-UHFFFAOYSA-N 433.558 5.489 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1Cc1ccccc1 8753375 NZEXWUPKCCWVNF-QHCPKHFHSA-N 439.559 5.412 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1)c1ccccc1 9120347 QSNSILSFFHLKLG-KRWDZBQOSA-N 432.524 5.043 0 40 IKAB CCn1c(COc2ccc3c(c2)CCCC3)nnc1SCc1nnc(-c2ccccc2)o1 9327938 GGPOLOCJXJRVMQ-UHFFFAOYSA-N 447.564 5.098 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 9507771 JWWHFQUBTOWWSG-QHCPKHFHSA-N 444.560 5.447 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc(N(C)C)cc1 9513047 XBRDXEHMORTGQB-KRWDZBQOSA-N 428.561 5.482 0 40 IKAB CC(=O)c1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)s1 9945364 YOUUNLLXJDLGOC-HXUWFJFHSA-N 431.561 5.060 0 40 IKAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10042204 ACRWEFRASNBAMA-DPDSROAVSA-N 432.564 5.408 0 40 IKAB COc1ccc2sc(N(Cc3ccccn3)C(=O)c3cccc(C(F)(F)F)c3)nc2c1 10187593 KMFZFVSCMGXACE-UHFFFAOYSA-N 443.450 5.566 0 40 IKAB Cc1ccc(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)cc1C 10702608 BFGXWTCCVAONSC-OAHLLOKOSA-N 446.641 6.948 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 12462862 ZVBMQEJKNSEWIX-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc12 12706031 XFBFHZNZNQKSQX-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1CN(C)C(=O)Cc1cccc(C(F)(F)F)c1 12793340 WUCJYBHXKUEPOK-UHFFFAOYSA-N 449.904 5.422 0 40 IKAB CCOc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccccc2)cc1 12879660 PZOAPKQUQDECBU-UHFFFAOYSA-N 430.577 5.403 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1csc(-c2ccc(C)cc2)n1 13001706 XUVKIRQJOJTTKS-UHFFFAOYSA-N 447.482 5.238 0 40 IKAB O=S(=O)(c1ccc(-c2csc(Nc3ccc(F)c(Cl)c3)n2)cc1)N1CCCC1 13060648 IEPLECNUSFHGMY-UHFFFAOYSA-N 437.949 5.131 0 40 IKAB Cc1nc(SCc2cn(-c3ccccc3)nc2-c2ccccc2)c2c(C)c(C)sc2n1 13098452 RJZQDDQKKPHNQW-UHFFFAOYSA-N 442.613 6.762 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)Cc2cccc3ccccc23)c2c[nH]c3ccccc23)cc1 13098968 VDZFCBYHPBGMQH-HHHXNRCGSA-N 447.582 5.878 0 40 IKAB COc1ccc(C(=O)c2ccccc2)c(OCC(=O)Nc2ccccc2-c2ccccc2)c1 13129769 NVWJFENRYWAVSZ-UHFFFAOYSA-N 437.495 5.611 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 13634633 HYKYMRPGOFMKEA-BETUJISGSA-N 436.865 5.472 0 40 IKAB CCOc1cc(CNCCCOC(C)C)cc(Cl)c1OCc1ccc(Cl)cc1 13721753 YKZZDEIZSCNFIB-UHFFFAOYSA-N 426.384 5.876 0 40 IKAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)C1 14360611 NRWXKNFNGGMSRJ-IRXDYDNUSA-N 431.985 5.294 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 14666365 MZYNWHHZAXWGMF-IBGZPJMESA-N 430.548 5.493 0 40 IKAB CC1(C)CC(NC(=O)c2ccc(Cl)cc2)CC(C)(C)N1C(=O)c1ccc(Cl)cc1 16577759 LYIROPIWRKGBAU-UHFFFAOYSA-N 433.379 5.585 0 40 IKAB COc1ccc([C@H](C)NCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1Br 16695676 AVYREQUHAFEWKR-INIZCTEOSA-N 447.373 5.188 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)Nc5nc(-c6ccccn6)cs5)(C4)C2)C3)cc1 18068832 BYVKTMNEBLLFHL-GBXBDOIYSA-N 429.589 5.990 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)COc4ccc([C@H](C)CC)cc4)cc3n2)cc1 19641137 SLXMVYJIESBXKQ-GOSISDBHSA-N 444.535 5.350 0 40 IKAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(Cl)c1 20454987 PWCLENOSQNPSDE-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCN1c2cc(F)c(F)cc2N[C@H]2C(C(=O)OC3CCC(C(C)(C)C)CC3)=C(C)O[C@@H]21 27062567 XJHWBHNGPXTZCD-NLXTURDTSA-N 434.527 5.364 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2)S/C1=C\c1ccc(-c2c(Cl)cccc2Cl)o1 35648112 HJRPLBHIFZHDCS-YVLHZVERSA-N 449.746 6.798 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2)cc1 44086016 GBDAJZGUZYZEDB-UHFFFAOYSA-N 449.963 5.932 0 40 IKAB Cc1ccc([C@H](NC(=O)COc2cc(C)c(Br)c(C)c2)c2ccccc2)cc1 44847039 KDVOJOISPYEVAX-XMMPIXPASA-N 438.365 5.659 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@@H](c2cccc(C(F)(F)F)c2F)S1 96117386 CSJRAQYAWXVCMF-BDJLRTHQSA-N 443.466 5.351 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@H](C2)CC(c2csc(NC(=O)c5ccc(F)cc5)n2)(C4)C3)cc1 100491668 MNTAAHKIAAZLRN-HFCJMSRESA-N 446.591 6.633 0 40 IKAB O=C1[C@H]2CCC[C@H]1[C@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 101183144 QVDGXRZENJEJRK-CADBVGFASA-N 449.186 5.583 0 40 IKAB Cc1ccc(/N=c2/scc(-c3ccc4c(c3)OCCO4)n2C2CCCC2)cc1Cl 102962710 LLUVMWIKTYTQEW-WJTDDFOZSA-N 426.969 6.297 0 40 IKAB CC[C@H](CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC=O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118927617 OLLAJSNLQPFYSL-CRKKDUOTSA-N 442.728 8.206 0 40 IKAB CCCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118928219 BBQNHGBERIULCP-VGQLYABUSA-N 428.745 8.823 0 40 IKAB CCC(=O)n1nc(NCc2c(F)cccc2Cl)nc1NCc1c(F)cccc1Cl 199405170 WIUPNDDWUKWSRL-UHFFFAOYSA-N 440.281 5.138 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccccc2Br)C1=O 215054443 LAKNFWSEZVJGNZ-ONDHQXCVSA-N 446.366 5.863 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 222587769 OYBUDGIIRJUSPQ-HSZRJFAPSA-N 445.003 5.139 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222938826 WRWGYSCEIZRZMA-SFTDATJTSA-N 446.403 6.277 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223095890 FYLHQTLHETWWOT-LJQANCHMSA-N 447.044 5.464 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223258635 WCSMMNURZJLKGS-XMMPIXPASA-N 438.612 5.219 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)c1 223806902 DYKQIFQAPHVQPL-NRFANRHFSA-N 438.637 5.013 0 40 IKAB Cc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224065513 KJJJVSWQKQULFX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 224197229 NBKVGIUKCXNQOM-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccccc3)cc2)cc1 224411886 MGGBCYYJYRUKQR-UHFFFAOYSA-N 436.577 5.102 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 224631768 SOYYXEFPCWATCP-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C)c2)cc1 224688123 CWDXYJGZLWLZAQ-RPBOFIJWSA-N 440.572 5.698 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(-c2ccccc2)c1 224885191 BNKUPIATYIOAQD-GOTSBHOMSA-N 446.963 5.408 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225103794 OMGKIVGWBKISMA-XMMPIXPASA-N 440.653 5.179 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225246330 WKKSHJCHANLHAQ-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 225403033 YIQNNSYXKGWJEW-IBGZPJMESA-N 434.967 5.025 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)c1 225631752 FLPQXSBQPHFPFP-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225720312 CKKMJFBENGARMQ-NRFANRHFSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC 225762273 OMPPVLKNLAHLCW-QGZVFWFLSA-N 427.516 5.630 0 40 IKAB CCC(C(=O)Nc1ccc(OC(C)C)c(C(F)(F)F)c1)(c1ccccc1)c1ccccc1 225956048 BMHJZHIGXFIZBX-UHFFFAOYSA-N 441.493 6.827 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@@H]3OC(C)(C)O[C@@]32C(C)=O)C1 253501042 UHBMRCJLSUUKRV-ZAWDHBRZSA-N 432.601 5.050 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1C(=O)NC1CCCCC1 408553320 VAMKXAGIEMKYJT-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccccc1F 408611019 PNODQGGHKICXLR-UHFFFAOYSA-N 429.875 5.767 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1 408642649 PIJNEKPQKFASII-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(F)cc2)cc1 408694691 LUCJYTPKZLKUPM-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(Cl)cc2)nc1-c1ccc(F)cc1 408695472 QSIWCFXCVQOTLP-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(OCCSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)cc1 409084359 CQVZNOLXDKEXJU-UHFFFAOYSA-N 429.589 5.954 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2cccc(C)c2)cc1 409109272 ATXOPHQGPVGSND-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409124385 BQDUOIWXJKKYPP-ZNFGUCDKSA-N 444.578 7.389 0 40 IKAB CCCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409147321 YKQGNLIOLYNTGE-GOSISDBHSA-N 434.355 5.045 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1cccc(C)c1 409255689 MSUFTBVJVOCJON-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Clc1cc(Nc2ccnc3cc(-c4ccccc4)nn23)ccc1OCc1ccccn1 585263507 BWLLEAXQJPYJFN-UHFFFAOYSA-N 427.895 5.767 0 40 IKAB CCCc1ccc(OCc2nc(-c3ccc(Cl)cc3OCC)ccc2C(=O)O)cc1 585264931 BVCAWRNJALQPBU-UHFFFAOYSA-N 425.912 6.030 0 40 IKAB CC(C)Cc1nc(COc2cccc(Cl)c2)c(C(=O)O)cc1-c1ccc(Cl)cc1 585265436 PXEXJJLMLBGVBD-UHFFFAOYSA-N 430.331 6.531 0 40 IKAB O=C(Nc1nnc(-c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1)c1cccs1 606422454 KYAZZKGVCQCCSW-UHFFFAOYSA-N 447.520 5.511 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 1505840717 VWSTUZOMPJMEGX-UHFFFAOYSA-N 430.544 6.720 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 999452 WHLYQWVLMOSFKL-IUODEOHRSA-N 428.773 5.181 0 40 IKAB CCc1ccc(N(CC(=O)NC2CCCCC2)C(=O)c2nsc(Cl)c2Cl)cc1 1380301 UPICUJNGRZYRCB-UHFFFAOYSA-N 440.396 5.108 0 40 IKAB Clc1ccc(N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1Cl 1896031 RXJCNXCLYHGXMJ-UHFFFAOYSA-N 441.387 5.992 0 40 IKAB CC(=O)Nc1ccc(/N=c2\cc(-c3ccccc3)oc3ccc(Br)cc23)cc1 1944666 WIMVMGMPFLLVSM-YYADALCUSA-N 433.305 6.053 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3Sc3ccc(C(F)(F)F)cc32)cc1 2314891 UYDKTHGOXQYNCN-MDWZMJQESA-N 427.447 6.557 0 40 IKAB aggregator CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(F)cc1C 2685525 PCXKSCDTPJCOKQ-UHFFFAOYSA-N 429.513 5.281 0 40 IKAB CCc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)cc1 2763863 AUUYEXPRCMLKEF-UHFFFAOYSA-N 449.598 6.043 0 40 IKAB O=C(Nc1ccc(F)cc1)c1ccc(-c2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 3070000 LPUDATAAEZENQP-UHFFFAOYSA-N 443.330 7.175 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2c1[C@H](c1ccccc1F)N1C(=N2)C=Cc2ccccc21 3290202 IFVPHVHUWZDYSP-VWLOTQADSA-N 440.909 6.640 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(NC[C@H](c4ccccc4)c4c[nH]c5ccccc45)c23)C1 3329924 LHVTXOSEZWWMDZ-DYESRHJHSA-N 438.600 6.541 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)n1-c1ccccc1 3407339 OBGGSSCBNHUCJX-UHFFFAOYSA-N 432.549 5.564 0 40 IKAB Cc1cccc(-n2nnnc2S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c1 3450179 WSFYCFDZBOLSMZ-JOCHJYFZSA-N 429.549 5.060 0 40 IKAB CC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc3c2C1 6025474 DYLVBTQTDUBMIS-OAHLLOKOSA-N 427.522 5.083 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 6245297 GVTKVHWLPPQBOX-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB CCOC(=O)c1cccc(COC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c1 8383537 LXJBMZGUTCCLMU-UHFFFAOYSA-N 439.511 6.052 0 40 IKAB Nc1c(C(=O)c2ccccc2Cl)sc2nc(-c3ccccc3)cc(-c3ccccc3)c12 8451203 ACPJWUFLADNWAE-UHFFFAOYSA-N 440.955 7.097 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c(C)c1 8752705 OSBLPYUGJFNKEN-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 8832353 SWBYYWOWROHIKZ-UHFFFAOYSA-N 449.721 6.160 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036530 HOQTWVHKSDTKRP-UHFFFAOYSA-N 436.511 5.326 0 40 IKAB CC(C)Cn1c(S[C@H](C)C(=O)N[C@@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091496 WUOIOSFZYSZSQG-JKSUJKDBSA-N 444.000 5.064 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nc(C)nc2ccccc12)c1ccccc1 9165968 UYWUGKSEGIRYAD-HSZRJFAPSA-N 429.545 5.809 0 40 IKAB COc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(F)c2)cc1 9288280 SFMZJYQOUBPSJW-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB Cc1c([C@@H]2[C@H](CCNC(=O)c3ccccc3)C2(C)C)c2ccccc2n1Cc1ccccc1 9307080 OCNHOKFBEGVRGQ-LSYYVWMOSA-N 436.599 6.558 0 40 IKAB O=C(Nc1cc2c(cc1[C@@H](O)c1ccc(Cl)cc1)OCCO2)c1cccc(Cl)c1 9592464 QBXJGMOWEMQXHX-NRFANRHFSA-N 430.287 5.099 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)n2CC(C)C)cc1 9799434 IGXWCVBTASJCFG-CQSZACIVSA-N 441.582 5.575 0 40 IKAB CCCCN(Cc1ccccc1)C(=O)c1cc2cccnc2n(Cc2ccccc2F)c1=O 10188129 FOCDSOONMYNATN-UHFFFAOYSA-N 443.522 5.026 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)c1 10218121 LZYHNUAEKSGVRU-UHFFFAOYSA-N 432.542 5.477 0 40 IKAB COc1ccccc1-c1nnc(SC[C@@H](O)c2ccccc2)n1-c1ccc(Cl)cc1 12522408 CHISZWNPWPOJMV-HXUWFJFHSA-N 437.952 5.422 0 40 IKAB CC(C)[C@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 12773084 OMABBPLEFUWDIX-NRFANRHFSA-N 436.474 5.405 0 40 IKAB CCCN(CCC)c1nc(CSc2ccccc2)nc2sc(C(=O)OCC)c(C)c12 13129707 KPFIGOPVDBBIPS-UHFFFAOYSA-N 443.638 6.095 0 40 IKAB COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 13597988 WJEACRVWNJGLOJ-IZHYLOQSSA-N 433.533 5.249 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccccc3)coc2c1)N[C@@H]1CCCc2ccccc21 13654545 NMXYXMXYUDQVBS-XMMPIXPASA-N 425.484 5.033 0 40 IKAB biogenic C=Cc1ccc(Cn2nc(-c3cccc(OC)c3)c(Cl)c2-c2cccc(OC)c2)cc1 13960669 PCRMIRLPFCSYJG-UHFFFAOYSA-N 430.935 6.579 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nnc1-c1ccccc1 14083317 AHORVLFOQXYCEW-SFHVURJKSA-N 449.605 5.031 0 40 IKAB CCOC(=O)c1cccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 14291413 AJDVHAPMALSJAY-DHZHZOJOSA-N 430.287 6.082 0 40 IKAB CC(C)[C@H](C)NC(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 16046108 CCVACHKKEVLMLC-HNNXBMFYSA-N 428.583 5.327 0 40 IKAB Cc1cc(NC(=O)CSc2ccc(Cl)cc2)cc(-c2nc3ncccc3o2)c1O 16269592 FANICKDWBQTEPL-UHFFFAOYSA-N 425.897 5.288 0 40 IKAB Cc1ccc(NC(=O)Nc2ncc3c(n2)C[C@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 16293116 KTKSZVDMRVUPCU-SFHVURJKSA-N 428.536 5.639 0 40 IKAB N[C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(-c2ccccc2)cc1)C(=O)O 16951200 VUGRSCSBFOUEBX-SANMLTNESA-N 439.580 5.791 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 19083948 FPCRSUUEJYLAIR-VXIBKDFQSA-N 438.538 5.063 0 40 IKAB O=C(C1CCCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373087 SCOMEICGUWSSHC-NRFANRHFSA-N 427.552 5.178 0 40 IKAB O=C(O)COc1cc(NC(=O)c2ccccc2Cl)ccc1-c1nc2ccccc2s1 20158274 HVZHSYFOYPIUCQ-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1cc(F)c(F)cc1Cl 22000346 UUBGZWYJAXLPFD-UHFFFAOYSA-N 440.871 7.104 0 40 IKAB COc1ccc(CSc2nnc(S[C@@H](C)C(=O)c3cc(C)ccc3C)s2)cc1 22063172 SELIGMUKWPBRMI-HNNXBMFYSA-N 430.620 5.819 0 40 IKAB CC(C)CN(Cc1nc(-c2ccc(Cl)cc2)no1)S(=O)(=O)c1ccc(C(C)C)cc1 22256987 OUXSRYSTDGNKTD-UHFFFAOYSA-N 447.988 5.360 0 40 IKAB O=C(Nc1ccc(CNC(=O)c2cccnc2Sc2ccccc2)cc1)c1ccco1 22509475 YTROZFMCDFSFLC-UHFFFAOYSA-N 429.501 5.008 0 40 IKAB C[C@@H](CN[C@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 22580837 TZTINWHNVDZMRN-RVQNBHMFSA-N 434.627 6.522 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c(C)c1 23126938 CGIIUAJRFJPKHO-UHFFFAOYSA-N 437.952 5.342 0 40 IKAB O=C(c1cc(Cl)ccc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 25720165 UZENCCRQFBXRMX-UHFFFAOYSA-N 438.664 5.023 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)c(C)c2cc1C 28289991 GWPWSUHRRKBVLL-DEOSSOPVSA-N 432.608 6.222 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@@H](C)NC(=O)c1ccccc1 33404270 FCAMQEAZQNTNOR-CYBMUJFWSA-N 435.380 5.388 0 40 IKAB O=C(O)c1c2c(nc3ccccc13)/C(=C\c1cccc(Cl)c1)CN(Cc1ccccc1)C2 33740129 SEYXJCCEUGAQOM-MOSHPQCFSA-N 440.930 6.143 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264238 AJJLVRCLKMANJM-UHFFFAOYSA-N 434.879 5.182 0 40 IKAB CC[C@H]1CCc2c(c(-c3cccs3)nc3c(-c4ccc(OC)cc4)c(COC)nn23)C1 35326062 QABNDMVYDGXSCD-INIZCTEOSA-N 433.577 5.795 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 44906081 BXTHCURROLJOFM-KRWDZBQOSA-N 447.450 6.380 0 40 IKAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 57774791 MUQTZNFKVHLTEF-AVRDEDQJSA-N 448.438 6.037 0 40 IKAB Clc1cccc(-c2nnn3c2nc(N2CCC(N4CCCCC4)CC2)c2ccccc23)c1 67262685 AZGBULUUQHXVDM-UHFFFAOYSA-N 446.986 5.053 0 40 IKAB CCc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)cc1 67294994 TYFWTAHPLJEKKH-RWEWTDSWSA-N 448.320 5.637 0 40 IKAB Cc1cnc(Nc2cccc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)n2)s1 72375634 KNIHFLPICSVYKL-LJQANCHMSA-N 426.973 5.540 0 40 IKAB Nc1ncc(-c2cccc(Cl)c2)c([C@H]2CCCCN2C(=O)CCc2ccc(F)cc2)n1 72377270 KYVRYBOELRWTRC-OAQYLSRUSA-N 438.934 5.205 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H](c1cccc(C(F)(F)F)c1)c1nc[nH]n1 96012656 VGBBKINMKRASIP-CQSZACIVSA-N 430.217 5.041 0 40 IKAB CCOc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1 96324393 XCCWXPJXTQCJPN-UHFFFAOYSA-N 427.435 5.246 0 40 IKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@H]4[C@H]5C=C[C@@H](C5)[C@H]4C3=O)cc2)cc1 100394272 PRSPEYOGYGQESV-LQBPYSJUSA-N 449.550 6.116 0 40 IKAB Clc1ccccc1C(c1ccccc1)(c1ccccc1)C(c1ccccc1)c1ccccc1 104339797 KFFBTOCOVKYLAQ-UHFFFAOYSA-N 445.005 8.507 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C1=O 106753698 QJUUDYGCOSUTJT-PXNMLYILSA-N 440.304 5.241 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 113965168 DBUWRLPAJYEICM-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222809162 XVRAKXHGWUFAOK-IBGZPJMESA-N 445.003 5.139 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222840294 ULBVPLHCXGRCFU-VQTJNVASSA-N 430.499 5.272 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 223180688 RFXIAPJAIWNDER-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc2c(c1)OCO2 224034173 VPAYFEZBXIIUIL-RPWUZVMVSA-N 446.576 5.294 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224176072 GUGQSLDFIAPTGP-UHFFFAOYSA-N 444.553 5.015 0 40 IKAB CN(c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1)S(=O)(=O)c1ccccc1 224254129 RVPAZLSEFOLNCY-UHFFFAOYSA-N 442.540 5.431 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1C 224275865 SWAHSJCJQOOXJZ-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224316070 OSKHBFRPUHORQI-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccccc1C(C)C 224570061 SDCGOPKOTQXUGM-UHFFFAOYSA-N 429.560 5.986 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 224627632 DVTPVAXVKJFBKM-MHZLTWQESA-N 444.619 5.660 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224968865 YZYMWLGXCYEPMC-UHFFFAOYSA-N 446.422 5.834 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225415181 VGNBMEVJQDASLL-LEWJYISDSA-N 446.591 5.113 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCCC2)cc1Cl 225511622 GNDYVCHNNJAINZ-UHFFFAOYSA-N 429.988 6.293 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225535908 CXTLHLALFNKJFX-IBGZPJMESA-N 447.044 5.132 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1 225836135 SGGYDPRMKWRPHJ-UHFFFAOYSA-N 437.849 6.104 0 40 IKAB COCCOc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cc1 257210975 BWXWPSTUWXMNCV-QFIPXVFZSA-N 448.538 5.241 0 40 IKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 408589234 ZIAVBGVKRUHJMK-UHFFFAOYSA-N 442.309 5.901 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(F)c(Cl)c3)cc2)cc1Cl 408605755 GPYLNZXEXHEXCW-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1cc(Br)ccc1NCc1cccc(OCc2cccc3ccccc23)c1 408613988 XDKIIHWJVIGZKV-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 408694371 DOYSCTHMBJMQFF-SBUREZEXSA-N 436.939 5.627 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)cc1 408698383 NCGNXPMDEVPPRE-UHFFFAOYSA-N 434.902 5.850 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(C)cc3)c(Br)c2)cc1 409109335 BVQBWODRNCKDHW-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4ccc(C)cc4C)C3=O)c[nH]c12 409177982 IALKIULHXQJSKK-JAIQZWGSSA-N 433.533 5.022 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C1=O 409208923 DGLJEHUWJUQMSB-MOSHPQCFSA-N 433.932 6.285 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc3ccccc3c2)c1 678855 QIDDMQFHHJTKKC-UHFFFAOYSA-N 439.540 5.527 0 40 IKAB COc1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 901222 QYFHCQQIEIHRQJ-CYBMUJFWSA-N 433.455 5.290 0 40 IKAB CCOC(=O)c1ccc2nc(C)cc(Nc3ccc(I)cc3)c2c1 952826 IGTOZKAMVWYRBK-UHFFFAOYSA-N 432.261 5.068 0 40 IKAB O=C(O)c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)c1 971683 CHKYZUXRTNIWPO-WOJGMQOQSA-N 425.462 5.190 0 40 IKAB CCOC(=O)c1cc2c(ccn2C)n1CC(=O)N(Cc1ccc(Cl)cc1)c1ccccc1 1338020 VGBIHSLXQSHOLT-UHFFFAOYSA-N 449.938 5.043 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)c1 1456911 HCYXKFROBYIVJF-UHFFFAOYSA-N 436.555 6.005 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)c1cc(C)oc1C 2107948 VETYERSIEKYVAU-UHFFFAOYSA-N 425.550 6.351 0 40 IKAB COC(=O)c1sc(-c2ccc(Cl)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2157097 OPBGKKANJLVGPR-UHFFFAOYSA-N 425.120 5.679 0 40 IKAB Fc1ccccc1[C@@H]1Oc2ccc(Cl)cc2C2=C1[C@H](c1cccs1)N1NC=NC1=N2 2247522 BBVYPBPYLMIYJS-SFTDATJTSA-N 436.899 5.345 0 40 IKAB C[C@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 2261788 YVKCGDJIQAMRDG-BTYIYWSLSA-N 426.347 6.977 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)cc1 2618559 ZMVVFRZIMSERKB-FQEVSTJZSA-N 429.973 5.257 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(F)c4)cc2-3)OCCO5)cc1 2691326 PJQKSNLOURSHCL-UHFFFAOYSA-N 439.490 5.724 0 40 IKAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 3011848 DPADNLRMRSKUJB-ICSRJNTNSA-N 444.457 5.503 0 40 IKAB O=C(Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1)c1cccc(C(F)(F)F)c1 3116945 MCVSTAJBIMBLJG-UHFFFAOYSA-N 443.444 5.423 0 40 IKAB CN(C1CCCCC1)P(=O)(/C=C(\Cl)c1ccccc1)/C=C(\Cl)c1ccccc1 3164351 SCCMOPAFALVGBK-JUKYZOBSSA-N 434.347 8.004 0 40 IKAB CC(C)(C)c1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1 3219185 UCUFTABDNXJGKO-UHFFFAOYSA-N 428.557 5.658 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 3276335 FMPONJHSLAMGCL-RVDMUPIBSA-N 433.938 5.194 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)Cc2ccc(Cl)cc2)c2ccccc2)cc1Cl 3284371 PPGYMBPEABUAQP-QFIPXVFZSA-N 428.315 5.768 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 3367178 MTRXJBKDHPVRCX-UHFFFAOYSA-N 429.731 5.026 0 40 IKAB CN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 3408407 HQNQXLCVPZZDCF-UHFFFAOYSA-N 447.029 5.526 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1 3418796 JXBHHHDBQCZEGV-QGZVFWFLSA-N 442.821 5.152 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)N1C(=O)c2ccccc2[C@H]1c1ccc(Cl)cc1 3851769 YQABJZDZFGKJGZ-FBRGVOPGSA-N 425.956 6.483 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@@H]3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]2C1 4104803 JVNLDEJCBDVFDF-NEPODAOMSA-N 444.744 7.221 0 40 IKAB biogenic,in-vitro CC(=O)C1=NN(c2cccc(Cl)c2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426976 XKIKEDHSYHJMDH-DEOSSOPVSA-N 446.963 5.850 0 40 IKAB CC(=O)N1CCC2(CC1)Oc1ccc(C)cc1[C@@H]1CC(c3ccc4ccccc4c3)=NN12 5477936 PQHKPUZTVFIOGO-VWLOTQADSA-N 425.532 5.030 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12 6860420 BZEZDGSZXXBNGQ-UHFFFAOYSA-N 441.600 6.461 0 40 IKAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1 8450144 TXXWXESCAGCJAD-SNXCOZLRSA-N 442.559 5.061 0 40 IKAB biogenic,in-vitro Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 8753795 DUWCFMCOCFAMSM-UHFFFAOYSA-N 429.867 5.290 0 40 IKAB C[C@@H]1CCc2c(oc3c2cc(NS(=O)(=O)c2ccc4ccccc4c2)c2ccccc23)C1 8765743 OOPFBTHVBBTLSJ-QGZVFWFLSA-N 441.552 6.665 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2Cl)c(Cl)c1C(=O)Nc1ccc2c(c1)OCO2 8825960 APLGFNKPUNAJBF-UHFFFAOYSA-N 438.698 5.181 0 40 IKAB Cc1ccc(C)c(CSc2nc(CC(=O)Nc3nc4ccccc4s3)cs2)c1 8937696 GUXPSLMGLWYEGX-UHFFFAOYSA-N 425.604 5.843 0 40 IKAB Cc1ccc2c(c1)N(C)C(=O)c1cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc1O2 9135355 BAVRULBVSDBRHB-UHFFFAOYSA-N 426.394 5.648 0 40 IKAB O=c1cc(CSCCOc2c(Cl)cccc2Cl)nc2sc3c(n12)CCCC3 9449490 WUFIZAFRJWNNAY-UHFFFAOYSA-N 441.405 5.254 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccc(F)cc2)[C@H]1c1ccc(OC)c(OC)c1 9614635 OWDCUFYAOHKHSD-DEOSSOPVSA-N 445.494 5.583 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)Nc2c(C)cc(C)cc2C)ccc1C 9663829 NMPNGYUPZLQAQK-UHFFFAOYSA-N 436.577 5.388 0 40 IKAB CCCOc1ccc(OCCS[C@@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 9911015 VWRYQDRQMBMPRG-AWEZNQCLSA-N 428.381 5.921 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 10360435 AZMLINMSNIXEPP-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1 11196609 LCHZMSVHGMXLSL-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB O=C(NCc1nnc(SCc2c(F)cccc2Cl)o1)c1cccc(C(F)(F)F)c1 12140437 QMSPDJYLDIMBTL-UHFFFAOYSA-N 445.825 5.103 0 40 IKAB CC(C)(C)C(=O)N1CCC[C@@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](c2cccs2)N3)C1 12183501 TUOKQHQQFXDVEX-UKPHBRMFSA-N 440.535 5.357 0 40 IKAB CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 12507853 HCWYMBBTZKRRQR-UHFFFAOYSA-N 434.439 5.132 0 40 IKAB C[C@H](Sc1nc(O)c2cnn(-c3cccc(Cl)c3)c2n1)C(=O)c1c[nH]c2ccccc12 12740474 PHRBYSXHWZCWST-LBPRGKRZSA-N 449.923 5.019 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(CN(C)Cc3cccc(Cl)c3Cl)[nH]c(=O)c12 13040740 ALZWYAFVTTUBPT-LBPRGKRZSA-N 438.424 5.820 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cnc(Cl)c(Cl)c1 13110200 IFPQFRSGJCGQQE-UHFFFAOYSA-N 425.703 5.143 0 40 IKAB CCc1ccc(Nc2nnc(S[C@@H](C)C(=O)Nc3cccc4ccccc34)s2)cc1 13134803 BCYVOAUUFLRRRP-HNNXBMFYSA-N 434.590 6.117 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1 13137815 ZUAKENVMOJOSFB-MRXNPFEDSA-N 440.594 5.567 0 40 IKAB O=C(CSc1nccn1-c1ccc(F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 13284034 DPKCXMQSAIHAOS-UHFFFAOYSA-N 429.826 5.414 0 40 IKAB COc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc(OC)c1OC 13625201 UPAUUCYUPQRKIX-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 13998230 MHTQWLGQZQJDEI-KAYWLYCHSA-N 439.555 5.377 0 40 IKAB FC(F)n1c(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)nc2ccccc21 14902577 JPNGEWXTZXNWLK-UHFFFAOYSA-N 448.502 5.426 0 40 IKAB CCCCc1ccc(NC(=O)C[C@H]2CCCCN2S(=O)(=O)c2ccc(Cl)cc2)cc1 15390951 NHCMDNGGMFMMOT-OAQYLSRUSA-N 449.016 5.255 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1OC 15729414 ZJLBFIQPMRPWMK-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic O=C(CSc1ccc2ccccc2n1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 15980829 SPHZIALKJWSRNS-UHFFFAOYSA-N 432.932 5.850 0 40 IKAB O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1cccc(Cl)c1 16398942 XBWLAVHBEWJVOC-UHFFFAOYSA-N 444.387 6.060 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccc2ccccc2c1 16713358 NMWIRFQBLPJZOC-UHFFFAOYSA-N 446.984 7.140 0 40 IKAB CC(C)C(=O)N[C@@H](c1nccs1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19086165 WYNPGCHGDZSXER-NZQKXSOJSA-N 441.641 5.190 0 40 IKAB COCc1ccc(C(=O)N2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cc1 19691837 FDHLPCNJJSOKFE-UHFFFAOYSA-N 432.539 5.286 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3o2)no1)Nc1cccc2ccccc12 21721381 ZFLLLANCWDNFJV-UHFFFAOYSA-N 430.489 5.228 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)N1CCC[C@@H]1c1cccs1 21845936 IURLKYFIQJZDJG-QGZVFWFLSA-N 437.615 5.876 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1ccc(OCc2ccc(Cl)cc2)c(OCC)c1 22109768 OBAHPPBSQBUHAG-UHFFFAOYSA-N 432.977 5.268 0 40 IKAB CSc1ccc(Cl)c(C(=O)N2CCN(Cc3csc(-c4ccccc4)n3)CC2)c1 22182861 LDKYNIOIGWGEGK-UHFFFAOYSA-N 444.025 5.143 0 40 IKAB CC(=O)c1cccc(NC(=O)Nc2nc(SCc3c(F)cccc3Cl)ns2)c1 35313268 UXFSXFGWUYIMPB-UHFFFAOYSA-N 436.921 5.470 0 40 IKAB CC(=O)Nc1cccc(Nc2nnc(SCc3nc(-c4cccs4)oc3C)s2)c1 40067348 XBBLCXCOCASHNT-UHFFFAOYSA-N 443.579 5.557 0 40 IKAB CCOc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385049 NPUVLSKQXVRPBC-UHFFFAOYSA-N 449.942 5.528 0 40 IKAB CCOc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1OC 44901577 WQBWZIZXDSTRFO-UHFFFAOYSA-N 444.575 5.019 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C)cc1 44904201 HCEGQMRXWFELMY-OAQYLSRUSA-N 449.016 5.094 0 40 IKAB CCN(C(=O)CSc1nc2ccsc2c(=O)n1-c1ccc(C)c(C)c1)c1ccccc1 57428456 KBZROSNARCBFHM-UHFFFAOYSA-N 449.601 5.209 0 40 IKAB CCC(C)(C)n1nnnc1[C@H](C(C)C)N(Cc1ccccc1)Cc1ccc(Cl)cc1 57614025 IXEDFURWVORQKJ-QFIPXVFZSA-N 426.008 5.871 0 40 IKAB C[C@@H](NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58166340 DUKINSFSYPYOFP-IERDGZPVSA-N 433.508 5.587 0 40 IKAB CCC(=O)Nc1ccc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 59497918 HBQHXIJSIFTTNP-UHFFFAOYSA-N 432.570 6.287 0 40 IKAB CCCc1nc(C(C)(C)NC(=O)c2sc(-c3ccc(C(F)(F)F)cc3)nc2C)no1 65575141 UMEKIIKGRPJBDJ-UHFFFAOYSA-N 438.475 5.138 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1ccccc1C 72314693 SQJAERUNFYXCJQ-RUZDIDTESA-N 449.554 5.900 0 40 IKAB Cc1cccc(Nc2ccc([C@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)nc2)n1 72353095 SMQHXNSFIJWGBC-RUZDIDTESA-N 438.579 5.480 0 40 IKAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3scnc3C)C2)n1 72354045 VBVVUBZTVABQJM-IBGZPJMESA-N 425.985 5.419 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1csc(-c2ccccc2)n1 96098409 RCZOJYIDOKNTIP-UHFFFAOYSA-N 431.542 5.327 0 40 IKAB Cc1oc(-c2cccs2)nc1CN1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 97550207 GHZVBBKZVZRQKX-UHFFFAOYSA-N 442.894 5.101 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102720012 ZWMDKRHPXHNYDG-RCDICMHDSA-N 448.475 5.019 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 105361997 IHTUQSVNUBACSA-MQMJORGGSA-N 432.564 5.773 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 107714533 NQTYLCLFVBPJQC-UHFFFAOYSA-N 447.918 6.254 0 40 IKAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 118916272 QUYCEUJYTAJEMW-FUPKCTMJSA-N 448.569 6.463 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC(C)(C)C)cc1 222678451 ZOGFEXRZXIPVGC-FQEVSTJZSA-N 426.626 5.118 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 222829333 NJMSGGBXEVDPEC-NKFKGCMQSA-N 440.524 5.950 0 40 IKAB O=C(O)c1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223115769 DUEKODSBPBRTFJ-GOTSBHOMSA-N 447.560 5.345 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223223135 NWMPUQCNUHNZAK-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@@H]1CCCO1 223322350 KDYQFMFREVJYNW-HSQYWUDLSA-N 439.968 5.147 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cc(C)ccc1C 224013840 AAPKWUBSQYTKFS-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 224345055 DXCMCNORTNKWMQ-JWQCQUIFSA-N 440.572 5.317 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(Cl)cc3)c2)cc1 224500866 OCEYOXSEVPSYBX-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c(Cl)c1 224998531 AVXOIDFSCUBQEG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 225248740 XJBXOPPYCVLEOQ-QHCPKHFHSA-N 429.004 5.169 0 40 IKAB Cc1ccc(CCCNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225389077 PALPWPUUAPDHBJ-UHFFFAOYSA-N 444.644 6.443 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)n1 257214566 CMMCBTLJWKOOBN-MHZLTWQESA-N 432.612 5.257 0 40 IKAB CCn1cc(CCc2nc(N3CCC[C@H]3c3ccccc3)ncc2C(=O)O)c2ccccc21 257260693 LDXXWKLSYVDLLG-DEOSSOPVSA-N 440.547 5.276 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 260786512 XVZRKALMNTYTBO-OITMNORJSA-N 430.360 6.238 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)c1ccccc1C(=O)OCC(=O)Nc1ccccc1 408661235 BNHTYEOVCUKFTD-XQFWAAQXSA-N 437.536 5.100 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)cc3C)n2)cc1 408694977 NFBYFNKFWOFQDI-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3C)nc2-c2ccc(Cl)cc2)cc1 408699956 XTLTZKFNDHFVAO-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc1 408776128 MDAZLCAQIJHQPT-UHFFFAOYSA-N 437.005 5.203 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2cccc(F)c2)C(=O)N1CCc1ccccc1 409007456 QGVCZJFDGHZSKL-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB O=C1N/C(=C/c2cc(Br)ccc2OCc2ccccc2)C(=O)N1c1ccccc1 409009902 AKUASYVIHRXHSC-XSFVSMFZSA-N 449.304 5.125 0 40 IKAB Cc1ccc(-c2nn(CC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)c(=S)o2)cc1 409157266 PMPAVAAFOKIVBU-UHFFFAOYSA-N 442.953 5.597 0 40 IKAB Cc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(Cl)cc1 409204746 JYEXIRFEJKPLQQ-UHFFFAOYSA-N 426.969 6.497 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccc4ccccc4c3)cc2)C(=O)N1Cc1ccccc1 409207510 VQZDLBMSWVBCMX-ONUIUJJFSA-N 434.495 5.512 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)/C(=C/c1ccccc1Cl)c1ccccc1 409261092 BBDOYZVIAHLZNB-FCDQGJHFSA-N 441.983 7.671 0 40 IKAB CCC[C@H](C)NC(=O)c1ccc(CN(c2ccccc2)S(=O)(=O)c2ccccc2)cc1 409263160 ARFSMIKFOWIDAQ-FQEVSTJZSA-N 436.577 5.001 0 40 IKAB O=C(O)c1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccccc1 409342914 FKQZQBGIIGKHTL-AREMUKBSSA-N 434.495 5.751 0 40 IKAB C[C@H](O)c1ccc(C2(CNC(=O)CCc3ccccc3Br)CCCC2)s1 585371249 QCVPWBCPBKFIAX-HNNXBMFYSA-N 436.415 5.125 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(Br)c3cccnc23)N1Cc1ccco1 639406915 CQQHVMYUZMNDHH-NRFANRHFSA-N 434.293 5.357 0 40 IKAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2cccc3c2c1CC3 629326 AFPGBNOMHFFMAG-UHFFFAOYSA-N 431.542 5.115 0 40 IKAB Cc1c(C(=O)N[C@@H](C)c2ccc3c(c2)OCO3)c(-c2ccccc2)nn1-c1ccccc1 655834 KDIZYZOSYHGVLB-KRWDZBQOSA-N 425.488 5.067 0 40 IKAB COc1cccc(/C=C2\C(=O)Nc3ccc(Br)cc32)c1OCc1ccccc1 684469 LSZOHTVJOMIOOO-UNOMPAQXSA-N 436.305 5.529 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3)cc2c1 1327688 HQAVULARVRCZLG-UHFFFAOYSA-N 441.531 5.204 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1352882 DKCUCRMLORGHDR-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=C1OC(c2ccccc2)(c2ccccc2)C[C@H]1CC(O)(c1ccccc1)c1ccccc1 1591093 JDHZGQSYKDNIJE-HSZRJFAPSA-N 434.535 5.820 0 40 IKAB O=C(NCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2117844 HWPZNSMXSOKQQH-UHFFFAOYSA-N 425.919 6.009 0 40 IKAB biogenic CCc1cc2c3c(c1)[C@]1(Nc4ccccc4S1)C(=O)N3C(C)(C)C[C@@]2(C)c1ccccc1 2194900 YJBPAXNOMNBLQI-WUFINQPMSA-N 440.612 6.455 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccc(Cl)cc2)c1 2225950 IWMBPZKTIXSHIH-DEOSSOPVSA-N 436.939 5.904 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2364364 YUDMDOPQHXULFH-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB COc1ccccc1[C@H]1C2=C(Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 2707462 IIABCXAQRXQWLR-VXKWHMMOSA-N 448.935 5.562 0 40 IKAB CCCCCc1ccc(-c2ccc(-c3nnc(-c4ccc(OCCCC)cc4)o3)cc2)cc1 3030660 DYLPXGHHZWOFGA-UHFFFAOYSA-N 440.587 7.982 0 40 IKAB Cc1cccc(NC(=S)Oc2cccc(C(=O)Nc3cccc4ccccc34)c2)c1C 3079490 OGMCGXWLHVOXNL-UHFFFAOYSA-N 426.541 6.485 0 40 IKAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3278565 QWAZMVZSRJQFFQ-JTQLQIEISA-N 438.694 5.690 0 40 IKAB CCN(CC)c1ccc(C(=O)O[C@@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3316641 OTWNWWZHZVUTNU-ZDUSSCGKSA-N 442.865 5.389 0 40 IKAB Fc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4Cl)ncnc32)c1 3658684 OJJUNIAVRWAFRU-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB O=C(c1ccccc1)c1noc(-c2ccc3ccccc3c2)c1S(=O)(=O)c1ccccc1 3848853 DJXFZOVYFHMVAV-UHFFFAOYSA-N 439.492 5.559 0 40 IKAB biogenic Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 6301469 XIKBLURAHKZTBI-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Oc3ccc(OC)cc3)c2c1 6844279 OGHZEQGVROYSEN-UHFFFAOYSA-N 448.519 5.705 0 40 IKAB CNC(=S)Nc1ccc(C2(c3ccc(NC(=S)NC)c(C)c3)CCCCC2)cc1C 8685322 FMSZBPBSABPIBC-UHFFFAOYSA-N 440.682 5.386 0 40 IKAB CCc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756192 FHFIXWCEYIJSDG-HXUWFJFHSA-N 443.522 5.337 0 40 IKAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3cc(C)ccc3C)c2=O)cc1 8756821 XAWVMWOGDNFNGI-UHFFFAOYSA-N 440.568 5.595 0 40 IKAB O=C(O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)Nc1ccccc1C(F)(F)F 8843252 CDPIDDAFQUJBLE-UHFFFAOYSA-N 447.023 6.270 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1c1ccc(Cl)cc1 8871535 KZTOJAFOSJFQBR-QGZVFWFLSA-N 436.342 5.912 0 40 IKAB C[C@]1(c2cc3ccccc3o2)NC(=O)N(CC(=O)c2ccc(C3CCCCC3)cc2)C1=O 9413816 GATRECDTUODBPU-AREMUKBSSA-N 430.504 5.130 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)NCc3ccccc3Cl)c3nc4ccccc4nc32)cc1 9461986 GXHSVBWOASWBQF-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 9570691 CARBUIZCQBOXST-KRWDZBQOSA-N 448.979 5.631 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2nnc(SCc3cccc4ccccc34)s2)c1 9600118 CSFVCACHUFXJHU-UHFFFAOYSA-N 437.546 5.253 0 40 IKAB COc1ccc(NC(=O)[C@H](Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)cc1Cl 10037784 SADSGKQSOKGVBX-XMMPIXPASA-N 449.938 5.267 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 11117170 WGJSLZPKPKQOAN-UXHICEINSA-N 447.482 5.222 0 40 IKAB Cc1ccccc1CSc1nnc(CN2CCCCC2)n1-c1ccc(OC(F)F)cc1 12344201 CAYOZGPJPKNNHH-UHFFFAOYSA-N 444.551 5.455 0 40 IKAB C[C@H](NC(=O)/C=C/c1ccc(OCc2ccncc2)cc1)c1ccc(Br)cc1 12799016 AXWZTEIHEJKHLP-ITHMCKDVSA-N 437.337 5.314 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3c(C)nc(C(C)C)nc3SC)n2)c1 12848641 KEVJRYRPJNANOS-UHFFFAOYSA-N 444.582 5.023 0 40 IKAB O=C1Cc2cc(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc2N1 12903193 QMTGAUACQMYVHV-UHFFFAOYSA-N 426.497 5.478 0 40 IKAB Cc1ccc(NC(=O)COC(=O)CCCSc2nc3ccccc3s2)cc1Cl 13095942 RGDZTMOWTSJONB-UHFFFAOYSA-N 434.970 5.312 0 40 IKAB CCOc1ccc(CN(C)c2nc(-c3cccnc3)nc3sc4c(c23)CCCC4)cc1 13130182 ZOVRUBFVTKQNIL-UHFFFAOYSA-N 430.577 5.667 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)nc2c1 13946090 IFBSQIJHQIWVHF-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB Cc1ccc(-c2csc3[nH]c(CN[C@@H](C)c4ccc5c(c4)CCCC5)nc(=O)c23)s1 14092802 HDPRZXNKZQAVEG-HNNXBMFYSA-N 435.618 5.751 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)cc12 14094085 RBBGTTLHGKNVDU-INIZCTEOSA-N 438.622 5.692 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 15974817 SDEAXBDLFYOJET-FZKQIMNGSA-N 448.589 5.029 0 40 IKAB C[C@@H](NCc1ccccc1OCc1ccc(Cl)cc1Cl)C12CC3CC(CC(C3)C1)C2 16576217 ZLMWYHSCJYIZRP-ZFGQVMFLSA-N 444.446 7.267 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 16684965 KAJGHGQZMALQBY-MRXNPFEDSA-N 432.549 5.260 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1 16890522 GTHYDWZUBZAQIX-UHFFFAOYSA-N 438.512 5.722 0 40 IKAB O=C(Nc1cc(F)cc(F)c1)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 18254992 SVQXIBDFHCRWQU-UHFFFAOYSA-N 441.441 5.072 0 40 IKAB CCN(CC)c1ncc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)s1 19526517 ROVBHKQBBWXUEQ-UHFFFAOYSA-N 435.544 5.151 0 40 IKAB CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711912 YDTBEAZMYNEOBZ-GBXCKJPGSA-N 439.506 5.056 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20037140 SDYAEUMDTQEPKG-RUZDIDTESA-N 438.527 5.566 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 20062082 VNYLXPYWDCTUPZ-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB Cc1cc(NC(=O)c2ccc(CSCc3ccccc3)cc2)ccc1Br 20238989 JQKWKVXXWCWVDY-UHFFFAOYSA-N 426.379 6.443 0 40 IKAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3C[C@@H](C)C[C@H](C)C3)c(O)n2n1 22626539 WUEJPIZHKVWRIN-MMPTUQATSA-N 425.385 5.179 0 40 IKAB c1ccc(C(c2ccccc2)N2CCN(Cc3csc(-c4ccccn4)n3)CC2)cc1 22808926 LIKNUNXHTDLDRR-UHFFFAOYSA-N 426.589 5.112 0 40 IKAB CC(=O)Nc1cccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c1 23136588 SOSFVEZDCHXCTC-UHFFFAOYSA-N 434.443 5.045 0 40 IKAB O=C(CCSCc1cn2ccccc2n1)N1CCCC[C@@H]1c1nc2ccccc2s1 30945589 PJJYUQZKOVBWHV-LJQANCHMSA-N 436.606 5.321 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3o2)cc1C 32116441 ARCMLGOLKDKERL-UHFFFAOYSA-N 449.963 5.821 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)ccc1Cl 32781520 NQXKJJFYBYKYAW-NRFANRHFSA-N 442.993 5.378 0 40 IKAB COc1ccc2cc(-c3cc(C(=O)OC4CCN(C)CC4)c4ccccc4n3)ccc2c1 33005414 GJYNPDCWJCKJOF-UHFFFAOYSA-N 426.516 5.315 0 40 IKAB CCOc1cc(CN2CCC(c3cc4nc(C(F)(F)F)ccc4[nH]3)CC2)ccc1OC 57774530 RZAUYHQUCDRFFE-UHFFFAOYSA-N 433.474 5.369 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(F)(F)F)c2)nc1 67294373 ZJWPCUZLDVGADO-SLMZUGIISA-N 439.393 5.345 0 40 IKAB Cc1ccc(Sc2oc(-c3ccc(C)cc3)nc2C(=O)NCCCn2ccnc2)cc1 72427768 KVMBFLFGKOPPSY-UHFFFAOYSA-N 432.549 5.126 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CSc1nnc(-c2ccccc2Cl)o1 97610265 ROHGVHKVFPUBQZ-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB O=C1[C@H]2[C@@H](c3ccc(F)cc3)N(c3ccccc3)O[C@H]2C(=O)N1c1cccc2ccccc12 102728067 IKXHSWHUXBQRKK-ISJGIBHGSA-N 438.458 5.030 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2)C(=O)NC1CCCC1 104696684 NXQIJRCLZWAUPF-CFBLSMTOSA-N 446.572 5.387 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222894491 WTEMCKFANLCLME-UXHICEINSA-N 432.376 6.031 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223422753 VZHKWJRRSPNAQJ-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1C 223426642 VLJDFVFIENYULW-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223916118 SCJDEJDWEPMFAU-LOSJGSFVSA-N 439.588 5.115 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NCC(C)C)cc1 224194087 CSPSPVXHXDPDEU-JOCHJYFZSA-N 436.640 5.415 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 225554585 WBDOECQYSWSNJN-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225555767 IZAYCRINXFJAQE-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 225603027 FGUYNQHASMOHBN-XXBNENTESA-N 445.003 5.058 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(F)(F)F 225763541 FXTVHPIKXPOCJV-UHFFFAOYSA-N 425.878 6.598 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257242877 IEOVMODGCPWKNZ-HSZRJFAPSA-N 431.923 5.834 0 40 IKAB CC(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257282693 OUVMWSQKYRUXQB-PGRDOPGGSA-N 434.411 5.647 0 40 IKAB Cc1cccc(-c2ccc(CC3(C(=O)NC(C)C)CCN(C(=O)C4CCC4)CC3)cc2)c1 257287215 POZRTGRMBVMECB-UHFFFAOYSA-N 432.608 5.138 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cncc3ccccc23)C1 257287818 PRQDZUUQVHTNDH-QFIPXVFZSA-N 436.555 5.084 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccccc1OC 408558218 SHLGUIRFLYOYBT-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)cc2)cc1 408564223 TXRQLMOPUSBFAV-UHFFFAOYSA-N 444.600 6.166 0 40 IKAB COc1cc(C(=S)NC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1 408578327 XNIJGIDMDSRWHV-MRXNPFEDSA-N 426.365 5.025 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3F)c(Br)c2)c1 408612533 SDAAWKGEXGFVNU-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB O=C(c1cccc(Cl)c1)N1c2ccccc2N=C(c2ccccc2)C[C@@H]1c1ccccc1 408677759 FCTZJQKOXOVHTM-HHHXNRCGSA-N 436.942 7.253 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1 408696222 XXLNKROZPNFHIO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccc(Cl)cc1 409090010 PTCKCODHFYDOFD-OYKKKHCWSA-N 430.960 6.737 0 40 IKAB Cc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1C 409100165 VFHBUPAEUWIRPZ-UHFFFAOYSA-N 436.968 5.771 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409110372 VKJNUUQVNSRIBY-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409169385 YBGUUWFTYJBKAP-ZYLGRSFDSA-N 430.498 6.514 0 40 IKAB Cc1cc(C)cc(C(=O)N2CCC[C@]3(C2)CN(C(C)C)Cc2c(-c4ccccc4)ncn23)c1 585106594 CJJRWXVTDKHPQX-NDEPHWFRSA-N 442.607 5.022 0 40 IKAB CC(C)(C)OC(=O)N1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643574967 GCTKEZHKCHDBFN-UHFFFAOYSA-N 425.525 5.275 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 682100 IOMJOKMSMOVUKU-UHFFFAOYSA-N 438.336 5.249 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(C/C=C/c3ccccc3)c3ccccc32)cc1 1076376 NMDJVHPNSFOFAP-HZUPSRCKSA-N 439.555 5.505 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OC[C@@H]2CCCO2)cc1 2616826 IIWNGLGBKYAGTD-INIZCTEOSA-N 449.359 5.927 0 40 IKAB aggregator Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2ccc(-c3ccccc3)cc2)c1Cl 2649405 CYSIVILBMJQJDS-UHFFFAOYSA-N 429.303 5.088 0 40 IKAB CCCCCCC(=O)N[C@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2678313 WHUBWYDDQGMSGL-CQSZACIVSA-N 445.243 5.409 0 40 IKAB Cc1ccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c(C)c1 2716466 XXECMLAYLSPXEN-UHFFFAOYSA-N 448.950 5.173 0 40 IKAB Cc1ccccc1CSc1nc2ccccc2c(=O)n1CCCn1cc(Cl)c(C)n1 2733869 SJNCADCLVLHSBC-UHFFFAOYSA-N 438.984 5.246 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2NC(=O)c2ccccc2)cc1 2971448 ONQHUHSLIYNFMS-UHFFFAOYSA-N 443.572 5.370 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1sccc1SCc1ccc(Cl)c(Cl)c1 3047266 QRIASCVCUXVPEB-UHFFFAOYSA-N 430.328 6.878 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2c(C)c(C)sc2n1 3386133 BWQACVJTFDCMOM-UHFFFAOYSA-N 445.919 6.020 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 3407483 KSFGZEJMMQICCH-OAQYLSRUSA-N 446.532 5.058 0 40 IKAB CCCCCn1c(=S)[nH]c2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2c1=O 3631169 KVDKLDUHKFKVBQ-UHFFFAOYSA-N 431.945 5.164 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3o2)c1C 3770807 YKGJSFLTZVSWAX-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(F)cc3)=NN2c2ccc(C)c(C)c2)c(OC)c1OC 4118532 YZFTUOVKZJKZIL-QHCPKHFHSA-N 434.511 5.824 0 40 IKAB CCCCOC(=O)c1cc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)ccc1Cl 5946200 NTDZXEVHTNYAIZ-UHFFFAOYSA-N 426.900 5.011 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 8831027 SNKAVYFUFSFHND-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 8849881 ZRYARIMZSIPKIZ-VIFPVBQESA-N 443.319 5.148 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4sccc34)[C@@H](c3ccco3)C2)cc1 8861840 UKZASEYOPGPZGD-GOSISDBHSA-N 434.546 5.063 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Br)nc2c1)c1cccc(Cl)c1 8952094 OMYPWAHTLDMRJJ-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1cccc(C(F)(F)F)c1 9036969 CWNZVSBGOKEDEO-UHFFFAOYSA-N 430.451 5.218 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3O)nc2c1 9064909 IWHRHACYWSYXNX-DHZHZOJOSA-N 443.528 5.344 0 40 IKAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1cccc(Cl)c1 9329184 SJWRXHOSHMUTGD-UHFFFAOYSA-N 428.989 5.104 0 40 IKAB COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccc(F)cc2)cc1O 9345680 HESXKURXMADQIJ-UHFFFAOYSA-N 447.466 5.259 0 40 IKAB biogenic Cc1cc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 9486895 VVACOMSEIWXRBX-QHCPKHFHSA-N 442.515 5.754 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)c1 9518430 LVOMSQOTVOLZDF-UHFFFAOYSA-N 444.487 5.274 0 40 IKAB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@@H](C)c3ccccc3)nnc12 9580853 YGEYPMVQTKAWBT-KRWDZBQOSA-N 442.544 5.204 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)Nc2ccc(F)c(F)c2)n1C(C)C 9593544 KOYQQEIGMYPJJY-UHFFFAOYSA-N 446.523 5.064 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)Cn1nc(C)nc1C 9601139 VTUGOIMHSNBGQE-XMMPIXPASA-N 436.559 5.553 0 40 IKAB CC[C@H](C)c1ccc([C@@H](NC(=O)c2nn(C)c(=O)c3ccccc23)c2cccs2)cc1 9726696 AIPRZFGKVNCZKX-KSFYIVLOSA-N 431.561 5.028 0 40 IKAB COc1cc(Cl)c(NC(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1OC 9760863 MVHFIKKRXWRESV-UHFFFAOYSA-N 445.903 5.054 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1CCc1cccs1 9870931 HWVVEPKEHYVAMQ-UHFFFAOYSA-N 441.553 5.573 0 40 IKAB COC(=O)[C@@H](Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl)c1ccccc1 11866685 WTRZDAIVJOLJNV-DEOSSOPVSA-N 448.902 5.639 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccccc3)=Nc3ccc(Br)cc32)cc1 12487098 PYLNFHNPMRVYIP-UHFFFAOYSA-N 448.364 6.062 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 12627560 DAPDOTPTZHPPNQ-UHFFFAOYSA-N 447.457 5.422 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCCC[C@H]1c1nc2ccccc2s1 12691325 VWZRIVPDTIGDCO-KRWDZBQOSA-N 428.941 5.478 0 40 IKAB COc1ccccc1-c1nn(CN(Cc2c(F)cccc2Cl)C2CC2)c(=S)n1C 12792396 DOGINKJRCHWCQY-UHFFFAOYSA-N 432.952 5.041 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Oc1ccc(OCc2ccccc2)cc1 12853117 OQZJVKDCGHZSCM-UHFFFAOYSA-N 435.426 5.737 0 40 IKAB COc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCc1cccc(C(F)(F)F)c1 12951421 GCZZPINFAWZPGH-XDHOZWIPSA-N 425.406 5.786 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccc(Cl)cc3)nc2c1 13018082 UNRAYRJRIBISME-UHFFFAOYSA-N 448.975 5.972 0 40 IKAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 13042163 ZPGLYXBRLNTASV-SQHAQQRYSA-N 442.559 5.743 0 40 IKAB Cc1nc(SCC(=O)NCCc2cccs2)c2cc(-c3ccccc3)sc2n1 13114228 VYTHFFZJZNZHTL-UHFFFAOYSA-N 425.604 5.179 0 40 IKAB CCCCCCn1c(-c2ccc(OC)c(Br)c2)cs/c1=N\c1ccccc1 13810135 GKPYCTMGWMKNOF-GYHWCHFESA-N 445.426 6.800 0 40 IKAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1cccc(C)c1 15226965 JUXJKVNZRXVILL-YVLHZVERSA-N 448.338 5.011 0 40 IKAB Cc1ccc2nc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)sc2c1 15882383 XWCCVCSMMDLMMD-UHFFFAOYSA-N 429.545 5.359 0 40 IKAB Cc1cc(C)cc(/N=c2\scc(-c3ccc(OC(F)F)cc3)n2C[C@H]2CCCO2)c1 15912614 VJYMYELNDAIHHQ-HZYJKNPPSA-N 430.520 5.846 0 40 IKAB COc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(Cl)cc1 16195494 LWWJWFYCWHQMJN-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4nc5cccnc5o4)cc3)o2)cc1Cl 16346895 VTPLEOYJBGTBLH-UHFFFAOYSA-N 429.863 6.364 0 40 IKAB O=Cc1cn(CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(Br)cc12 17094701 ZUGYWNXSSZGQFM-UHFFFAOYSA-N 426.097 5.162 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3O)nc2c1 17097560 QJNOAXSJXOJRCV-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc4c(Br)cccc34)n2)cc1 17103121 VMGWHKMGNVFWBS-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB COc1cc(C)c(CN(Cc2ccncc2)[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1OC 19567014 GWGUQWUTUGNCKT-XUZZJYLKSA-N 435.568 5.117 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3cccc(F)c3)n2)cc1OC 19647184 GNOQNQODSOPKAS-UHFFFAOYSA-N 448.494 5.439 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)NC(=S)Nc1cccc2c(O)cccc12 19648203 ACUILYPUQHLETB-WYMLVPIESA-N 448.931 5.985 0 40 IKAB CCCCCOc1ccc([C@@](O)(CC(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 19851227 FVWAVGXBYNLLFE-IZLXSDGUSA-N 439.640 5.605 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CN1CCOCC1 19901516 AATXPCZOCYBGKG-VWLOTQADSA-N 440.587 5.285 0 40 IKAB CSc1nc(SCC(=O)N[C@@H](C)Cc2ccccc2)c2c3c(sc2n1)CCCC3 20100285 ONUXWQBEQYZSLH-AWEZNQCLSA-N 443.663 5.132 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 20107573 NHFREWKINCIXPF-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Fc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 20509871 FSCJQHMKEUZDGN-OAQYLSRUSA-N 443.341 5.864 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3n2)cc1 20610266 NHPTWRJSCXQLOF-UHFFFAOYSA-N 448.526 5.590 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)N1CC=C(c3ccc(O)cc3)CC1)oc1ccccc12 25062170 RWLSIZBWMSKTIJ-QGZVFWFLSA-N 442.515 5.417 0 40 IKAB Clc1ccc2c(NCCCCCCNc3ccnc4cc(Cl)ccc34)ccnc2c1 26184399 HHWIMTYEHYWKEK-UHFFFAOYSA-N 439.390 7.174 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(OC)c(Cl)c2)c2c[nH]c3ccccc23)cc1 27746144 UOUDBTVFMAZIHJ-FQEVSTJZSA-N 434.923 5.400 0 40 IKAB O=C(NCc1ccccn1)/C(=C/c1cccc(OCc2ccccc2)c1)c1cccs1 29517264 AKXHLRHXDCTVCC-JJIBRWJFSA-N 426.541 5.579 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)ccc1Br 32124799 HGZQPXYTKZKEAH-UHFFFAOYSA-N 439.309 5.297 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(/Cl)c1ccccc1)Nc1ccc(Cl)cc1 32690927 WIXCDLDUYVVUOU-KBNZVFGVSA-N 448.717 8.505 0 40 IKAB CSc1ccccc1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 38501221 RLBGRXWGLQCAOS-UHFFFAOYSA-N 433.508 5.565 0 40 IKAB Clc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccccc3)s2)cc1 41154373 GFHMZKWFASBMFB-UHFFFAOYSA-N 447.972 7.332 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44937102 RSIAANWTGKPVES-URXFXBBRSA-N 429.004 5.464 0 40 IKAB Cc1ccccc1C(=O)Nc1cccc(-c2csc(NC(=O)c3ccccc3C)n2)c1 45977398 ZZJPIDOQBAEKKH-UHFFFAOYSA-N 427.529 5.932 0 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5.202 0 40 IKAB O=C(c1cnc2ccc(F)cc2c1Nc1ccc(Cl)c(Cl)c1)N1CCSCC1 64658289 WEUFXSWRTGRUQJ-UHFFFAOYSA-N 436.339 5.613 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccccc1-c1ccc(Cn2cccn2)cc1 65514280 MAWGFSYMGKUENT-UHFFFAOYSA-N 436.515 5.199 0 40 IKAB COc1ccc2c(c1)[C@@H](N(Cc1ccccc1)Cc1nccn1Cc1ccccc1)CCO2 72296469 UZAIVJQTQBLRBO-SANMLTNESA-N 439.559 5.466 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2cn3c(C)cccc3n2)cc1 78772390 BOHGLCSHZGGGDF-UHFFFAOYSA-N 438.531 5.049 0 40 IKAB Cc1csc(SCC2CCN(C(=O)COc3ccc(Cl)cc3Cl)CC2)n1 90608096 XUBNAPZDGVXNKK-UHFFFAOYSA-N 431.410 5.168 0 40 IKAB COc1ccccc1-c1ccc(CN2C[C@H]3CCC[C@H](C2)C3(O)c2ncccc2C)cc1 100149240 IFKPXCPICQIXMF-DNQXCXABSA-N 428.576 5.185 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 100743993 QKQNQTGSYLJYMX-RBDMOPTHSA-N 432.568 5.251 0 40 IKAB CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O 102678696 YRRGIRMXBSLSSV-CLOONOSVSA-N 444.535 5.571 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(Cc4ccccc4Cl)C3=N)n2)cc1OC 102728749 ZRYUGFLVKOLCLY-UHFFFAOYSA-N 441.940 5.243 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 102983007 YAFPRMDPAABEAK-HNJSLSPMSA-N 429.519 6.083 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 108983624 WSTZGCGJYGSTHU-FMIVXFBMSA-N 434.392 5.510 0 40 IKAB Cc1cccc(CCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 219962551 CNEGHDUYADCYCL-UHFFFAOYSA-N 440.631 5.812 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223092086 XGVZIVCZVUDPRX-ZEQRLZLVSA-N 449.645 6.439 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 223266556 XAELAQGQLQBPPT-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223720949 BWBUXISXLNPPNY-SFHVURJKSA-N 445.028 5.049 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)c1ccc(C)cc1C 223964179 WKZUPMZURHFBKQ-QFIPXVFZSA-N 440.540 5.124 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1C 224277228 RVNCZFMRRYEUAO-RPBOFIJWSA-N 440.572 5.372 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1Cl 224954769 ILAHOPLTJXMLQK-SFTDATJTSA-N 441.000 5.477 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225606277 XDZDJOGFYSPEBW-JPYJTQIMSA-N 445.003 5.003 0 40 IKAB COc1cc(C)c(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C(C)C 225660085 NQPBTVPTLBGERI-UHFFFAOYSA-N 442.603 5.674 0 40 IKAB COc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OCc1c(F)cccc1Cl 256027937 KHNDESNUBBCSRD-UHFFFAOYSA-N 426.831 5.308 0 40 IKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(C)cc2)cc1 408563471 NDWMJLNCCOCOOU-UHFFFAOYSA-N 432.589 6.022 0 40 IKAB Cc1ccccc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 408628092 SZLVFAIKHRRIDL-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB Cc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C(=O)O)o1 408632766 SHHNEUKRFKHBSA-MFOYZWKCSA-N 437.304 5.482 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)cc1C 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Cc1cc(C)c2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 1371273 GKAOSOPFFZRJMJ-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)cc(OC)c1OC 1518388 LOHBSRAVRCKLKT-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(-c3ccc(Cl)cc3Cl)nc3ccccc23)C1 1773055 QXMHGXKSTXCBJE-FYSMJZIKSA-N 426.391 7.009 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC(F)F)cc1 1811323 QLZOZCPXJRIUTM-UHFFFAOYSA-N 431.460 5.754 0 40 IKAB Cc1ccnc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 1890799 PRYZQWNJXGNBNK-XMMPIXPASA-N 427.573 6.522 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3cccc(Cl)c3)N2C1=O 2255356 LVWGRGMQWYVKHX-UYAOXDASSA-N 440.952 5.122 0 40 IKAB Cc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CC[C@@H](C(C)(C)C)C4)cc1 2283168 HNTHZESXVOYZPG-CQSZACIVSA-N 442.606 5.083 0 40 IKAB CC1CCN(C(=O)c2nn3c(C(F)(F)F)c4c(nc3c2Cl)-c2ccccc2CC4)CC1 2306733 CKMLHIRRECTSMK-UHFFFAOYSA-N 448.876 5.039 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(Cl)cc1)N1C(=N2)C(O)=Nc2ccccc21 2322305 DGUCALBBDGRHQR-JOCHJYFZSA-N 439.906 6.075 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(-c2ccccc2)cc1 2323923 ZJFNMAQIXFCYNR-UHFFFAOYSA-N 443.333 7.027 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(C)ccc2C(C)C)cc1 2347626 VRIYDGPUBKRTQG-UHFFFAOYSA-N 428.532 5.583 0 40 IKAB CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)C1CCCCC1 2659699 ATHDKIRCOCZWJP-WUKNDPDISA-N 425.532 6.090 0 40 IKAB CCOc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 2714695 IHXNVIWQHWORHC-UHFFFAOYSA-N 436.515 6.238 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3ccc(F)cc3)n2)cc1OC 2733569 WHATXWANFYUVDG-UHFFFAOYSA-N 434.467 5.380 0 40 IKAB O=S(=O)(Nc1cnn(Cc2ccc(Cl)c(Cl)c2)c1)c1ccc2ccccc2c1 2778652 UBXAHZXORCCANX-UHFFFAOYSA-N 432.332 5.192 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(C(C)(C)C)cc2)c2ccccc2N1C(=O)c1c(F)cccc1F 3133082 XWPBPSAZLMKSPR-QGZVFWFLSA-N 448.513 5.844 0 40 IKAB CCOP(=O)(OCC)[C@H](Nc1ccc(Cl)cc1)c1ccc(Br)cc1 3145188 OQUJCDDYGCTQSY-KRWDZBQOSA-N 432.682 6.479 0 40 IKAB Cc1noc(C)c1COC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 3261965 UCURPQLFWMFRMS-UHFFFAOYSA-N 434.495 6.531 0 40 IKAB O=C(COC(=O)c1oc2ccccc2c1CSC1CCCCC1)c1ccc(Cl)s1 3302601 UETHSNSMIPMFDV-UHFFFAOYSA-N 448.993 6.753 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 4083904 MCSMMGJCXCBSKD-YNMAKAPDSA-N 426.729 8.313 0 40 IKAB endogenous,in-man Cc1ccccc1NC(=O)CSc1nnc(-c2ccoc2C)n1CCc1ccccc1 4411302 DLGMJPDFPLCMME-UHFFFAOYSA-N 432.549 5.128 0 40 IKAB Cc1ccc2cc(CN(C(=S)NC3CCCCC3)C3CCCCC3)c(=O)[nH]c2c1C 6410145 UUCNGXXQDGERFD-UHFFFAOYSA-N 425.642 5.487 0 40 IKAB Cc1ccccc1NC(=O)CSc1cn(CC(=O)N(C(C)C)C(C)C)c2ccccc12 8589580 BVPWUMXVRURHMP-UHFFFAOYSA-N 437.609 5.326 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@H]3CCCO3)[nH]2)cc1 8594965 IRPABUMBRQSCJU-OAQYLSRUSA-N 435.593 5.002 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)NCc3cccs3)nc2-c2ccc(C)cc2)cc1 8749183 UHTYGZRCLVUNNT-UHFFFAOYSA-N 446.601 5.292 0 40 IKAB COc1ccc(CSc2nc3cc(Cl)ccc3n2[C@H](C)c2ccccc2)cc1F 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COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccc(C)cc3)ccc2c1=O 9486111 JXHWOEJUAWZXGE-UHFFFAOYSA-N 445.471 5.228 0 40 IKAB c1ccc(CC2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 9531800 VUOZZGFEVILPJF-UHFFFAOYSA-N 444.582 6.547 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2cccc(C)c2)cc1 9570169 QTZBYAYIYHWVPZ-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB COc1ccc([C@H]2CCCN2Cc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)c(OC)c1 9579841 JEURGAJVRMOUQB-HXUWFJFHSA-N 447.560 5.006 0 40 IKAB CCc1ccccc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O 9663836 AXPMMHKGHFNDQC-UHFFFAOYSA-N 426.925 5.238 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)CCSc3ccccc3)nc12 9829764 GZUBAEROYQJSSM-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 10366595 PNIHGOYUGATUIC-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB COc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC2(C)C)cc1OC 10433626 MVLFXOZFUCBCID-UHFFFAOYSA-N 437.348 5.019 0 40 IKAB CCN(Cc1ccccc1)C(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1C(C)C 10876276 QYLIDYKDMHYPKL-KRWDZBQOSA-N 443.638 5.185 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1nc(-c2ccc(Br)s2)cs1 11617275 ZVWKSVWKOBAXJS-UHFFFAOYSA-N 429.364 5.969 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)C12C[C@@H]3C[C@H](C1)CC(n1cnc(Cl)n1)(C3)C2 12428496 OYYGKVHNLITBMK-ORMMXULVSA-N 425.747 5.173 0 40 IKAB CN(C)C(=O)[C@@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 12556886 SUMOSFWROKDOCT-IBGZPJMESA-N 425.604 5.788 0 40 IKAB O=C(Nc1nc(-c2cccc(Br)c2)cs1)c1cccc(OC(F)F)c1 12619074 HIPBSKNEILTGIU-UHFFFAOYSA-N 425.254 5.426 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 12691105 SHXBNOBHYWWLPJ-LJQANCHMSA-N 432.264 5.570 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(F)c1)c1ccc(Cl)cc1Cl 12909130 KCNDWGDOLXYJSL-FQEVSTJZSA-N 431.294 5.112 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2Cc2csc(N(C(C)=O)c3ccccc3)n2)c1 13128141 YZXPUSDOBKGJLB-JOCHJYFZSA-N 437.565 5.182 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)Nc1ccccc1Cc1ccccc1 14094222 XSMPPKLFLSZXQA-UHFFFAOYSA-N 435.614 6.164 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)N[C@H]4CCSc5ccc(F)cc54)cc3)o2)cc1 14230532 TVSCNLHTQOQBPO-NRFANRHFSA-N 445.519 5.818 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 14797813 PBSXPUWFLILGPC-UHFFFAOYSA-N 428.241 5.818 0 40 IKAB CCCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(C(=O)OCC)C2 15821550 FYZKEHNLQCXBDY-UHFFFAOYSA-N 429.567 5.278 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@H]1CCCc2ccccc21 16046135 JFMIPYIQRPHMAN-DYVFJYSZSA-N 428.558 5.095 0 40 IKAB Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 16977204 GCKRXFLQQAGTPA-UHFFFAOYSA-N 441.959 6.304 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C(N)=O)C1 17095077 ARXZJDFURXKEGI-OAHLLOKOSA-N 426.582 5.037 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)Cc4csc(NC(=O)C5CC5)n4)cc3)sc2c1 17122195 KYUCIXYEDIFCJW-UHFFFAOYSA-N 448.573 5.258 0 40 IKAB COc1ccccc1N(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 17162000 BPQJCXIQGKBASQ-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)c(C)c1 18026543 LJVPQOXBRSSMDU-QGZVFWFLSA-N 426.513 5.143 0 40 IKAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3cccs3)nc3ccccc23)CC1 19638865 HICCVOGWTQPKJE-UHFFFAOYSA-N 443.572 5.324 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(-c2cccs2)on1 20137625 MMCDOIYRVOVUQO-UHFFFAOYSA-N 447.347 5.824 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183486 IPHYQRCFXWPIBH-UHFFFAOYSA-N 437.852 7.221 0 40 IKAB COc1ccccc1N1CCN(C(=O)c2ccc(CSCc3ccccc3)cc2)CC1 20238892 RIXCKUIBOZQSDV-UHFFFAOYSA-N 432.589 5.091 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)c1 20411850 PJYZBSMQSYEHBO-UHFFFAOYSA-N 426.538 5.311 0 40 IKAB O=C([C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)N1CCC(Cc2ccccc2)CC1 20521951 JQUDXHRYILULGK-HSZRJFAPSA-N 444.541 5.399 0 40 IKAB COc1cc(C)c(NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)cc1OC 24496484 MAMUSAFFURSHPB-UHFFFAOYSA-N 433.533 5.205 0 40 IKAB Cc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)Nc3ccccc3)C2)c2cccs2)cc1 25068675 IJVWBKWMMUUCTE-NFBKMPQASA-N 433.577 5.206 0 40 IKAB CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 27525987 IVLXPXUUPJRKKV-UHFFFAOYSA-N 446.978 7.056 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cccc(Cn2nc(C)c(Br)c2C)c1 27970690 QDVUDYZYZRASHW-UHFFFAOYSA-N 448.748 5.225 0 40 IKAB O=C(COc1ccccc1-c1nc2ccccc2s1)Nc1ccc(N2CCCC2=O)cc1 32888479 DXOOCJNIDNBELP-UHFFFAOYSA-N 443.528 5.108 0 40 IKAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3cccc(Cl)c3)n2)c1 33327305 AAQGFBVCRFRDNE-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OCC 33430715 VAFPPTVKKLYFAU-UHFFFAOYSA-N 425.912 6.572 0 40 IKAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1cccc(F)c1 33826548 IZLXJLXRXGIYST-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB Clc1ccc(/C=C\c2nc3ccccc3nc2OCc2ccccc2Cl)c(Cl)c1 36092276 WFQNUYBVYNTKDL-BENRWUELSA-N 441.745 7.339 0 40 IKAB COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 36352152 VJYHOXGJQWDJRY-BVAGGSTKSA-N 446.978 6.888 0 40 IKAB CCCN(Cc1cc(=O)[nH]c2c(C)cc(C)cc12)C(=O)Nc1ccccc1C(F)(F)F 41078101 YAQNMKSBFKLQJD-UHFFFAOYSA-N 431.458 5.608 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1cccc(Cl)c1)Nc1nccs1 44087223 TYVRIIXTJMJKKG-UHFFFAOYSA-N 426.954 5.380 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 44900123 OZVNKZJSSGTDCC-UHFFFAOYSA-N 425.359 5.876 0 40 IKAB Cc1cc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc(C)c1I 57313168 NFHBLORQTXBYED-UHFFFAOYSA-N 443.712 5.358 0 40 IKAB COc1ccccc1-n1c(SCc2ccc(F)cc2Cl)nc2ccccc2c1=O 67259554 LQLASXNQKKBMMG-UHFFFAOYSA-N 426.900 5.479 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(F)cc3Cl)oc12 67295715 BFSQMTMFIYCFGB-VYIQYICTSA-N 437.858 5.422 0 40 IKAB COc1cc([C@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCCC2)cc(OC)c1O 71283632 JLCLWEBNEIPZQD-HXUWFJFHSA-N 431.558 5.483 0 40 IKAB CC(=O)Nc1cccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)C23CCCCC3)c1 71284744 CWTCFINBUZGNPC-XMMPIXPASA-N 447.579 5.182 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 72372582 UUANQWBJKPLAKY-FQEVSTJZSA-N 432.549 5.930 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)C(C)(C)c3ccc(C)cc3)n2)s1 72375849 QTHWSBBPCQBNBO-IBGZPJMESA-N 435.597 5.189 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(Cl)ccc1NC(=O)c1nc(Cl)ccc1Cl 84691739 VLTGEFMKVGXGSH-RYUDHWBXSA-N 440.758 5.697 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCO[C@H](c4ccc(C)o4)C3)c3ccccc3n2)cc1 89652677 GKQXDWYJPUUOIB-VWLOTQADSA-N 428.488 5.026 0 40 IKAB Cc1ccc2nc(-c3ccc(NS(=O)(=O)Cc4noc5ccccc45)cc3)sc2c1 96124217 IOWNTNULCASIQD-UHFFFAOYSA-N 435.530 5.355 0 40 IKAB O=C1OC(c2cccc(F)c2)=N/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 101376041 YWNGHXVNEWBXJW-NHDPSOOVSA-N 442.273 6.056 0 40 IKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 102726996 ANQNCBIYXZXRGW-UNMCSNQZSA-N 439.740 6.345 0 40 IKAB COc1ccc(N2Cc3c(C)nn(-c4ccccc4)c3Nc3nc4ccccc4nc32)cc1 104569465 UVZFRPJLFIMASO-UHFFFAOYSA-N 434.503 5.528 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)CCC(F)(F)F)CC[C@H]4[C@@H]3CC[C@@H]2C1 118933515 FSIYIALQTPKKEU-FUKSKLBFSA-N 442.562 6.489 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C[C@H](O)[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118935143 KDJPNDQOTCHXMI-YKBAZMASSA-N 446.716 7.010 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)CCCN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 219472537 CFJHWWDDOHVOMC-NRFANRHFSA-N 428.532 5.307 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223028806 JHZHRJBESFSLFY-WOJBJXKFSA-N 448.375 5.267 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223135174 IQWKWKHHABBRAI-UXHICEINSA-N 434.555 5.244 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223265854 XXMZKAFJUMMBHL-SANMLTNESA-N 444.619 5.803 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223899353 WSMVDWDFRYBROZ-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224408646 XXIDQGGIVOFPPH-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc(OC)c1 224593956 CCXGWVSKMSULSC-HXUWFJFHSA-N 433.548 5.424 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1Cl 224964583 IJQYQTGXBDJURZ-NHCUHLMSSA-N 426.973 5.303 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024160 LHSJHRDRBRGRIH-ZEQRLZLVSA-N 432.593 5.186 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)cc3Cl)ccc21 225175828 JNCMSHUBEFTZFN-UHFFFAOYSA-N 441.405 5.823 0 40 IKAB Cc1ccc(CSCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225292984 JQNMRPZSLQAYPE-UHFFFAOYSA-N 438.687 6.507 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCSCc2ccc(Cl)cc2)ccc1Cl 225303699 VDTVMVLMLRTHQB-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC[C@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(OC)c(OC)c1 225719667 VHYTUXZSMVNSLN-HNNXBMFYSA-N 443.794 5.557 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccccc3)OC2)cc1C(F)(F)F 225953869 NZACRFLKPXITKO-UHFFFAOYSA-N 437.458 5.431 0 40 IKAB CN(C(=O)C(F)(F)F)c1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 226269276 GHHQTKHFAKMZLO-UHFFFAOYSA-N 449.226 5.936 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(C[C@H](O)CC)n1 257235034 GWDUVNSQTCDHSG-LJQANCHMSA-N 442.943 5.519 0 40 IKAB Cc1nc2ccccn2c1CC(=O)N1CCC[C@]2(CO[C@@H](c3ccccc3)[C@H](C(C)C)C2)C1 257289098 PWZCGJUAMGOJEN-MXSCXNJPSA-N 445.607 5.228 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)c1 408574309 LQXMZIBKEKTIJD-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCN(CC)C(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 408575528 NUJAKMSQHBLBEF-RELWKKBWSA-N 432.951 6.001 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1C 408674265 YVXUXRSNLVKWTM-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)O)cc4C)o3)S2)cc1 408786497 RGRVCBZZSSBKLL-NIQJEMAJSA-N 434.517 5.115 0 40 IKAB COC(=O)c1ccc(Nc2nc3c(s2)CCc2c(Br)ccc(OC)c2-3)cc1 408883165 RTARMZJMTFEINI-UHFFFAOYSA-N 445.338 5.210 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCC2)c2ccc(C(C)C)cc2)cc1 409028611 QGRVHYSIUUAZGT-UHFFFAOYSA-N 442.625 5.153 0 40 IKAB Clc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 409093923 BQGPXZWERZIUIF-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CC(=O)N1CCCCCCCN(C(C)C)Cc2cc(-c3cccc(OC(C)C)c3)ccc21 643578741 ORKXVWPKSOAWHO-UHFFFAOYSA-N 436.640 6.668 0 40 IKAB Cn1c(CN2CCCCCOc3ccccc3Oc3ncccc3C2)cc2ccccc21 643589417 SBOZYMCKOPAZNI-UHFFFAOYSA-N 427.548 5.931 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 670356 OXQFKNQWCZSLFH-MNOVXSKESA-N 441.380 5.075 0 40 IKAB CCc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 928182 OHRZOAJDOYIFFA-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C(C)(C)C)cc4)cc3)CC2=O)cc1 993250 SOMRHNSVELZKAF-FQEVSTJZSA-N 442.559 6.076 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1N1CCCCC1 1796374 REELEQXOTBGKDL-UHFFFAOYSA-N 437.348 5.472 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3c(Cl)cccc3Cl)cc12 1797688 OWMOBXMEKHDSIR-UHFFFAOYSA-N 441.310 7.162 0 40 IKAB biogenic COc1ccc(-c2oc3ncnc(NCc4ccccc4)c3c2-c2ccc(OC)cc2)cc1 1836093 GNXIJUDVJVHOCW-UHFFFAOYSA-N 437.499 6.186 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)cc1 1840055 UJXZTYYNWQXHCZ-INIZCTEOSA-N 448.950 7.313 0 40 IKAB Cc1cccc(-c2ccc(OC(=O)c3ccccc3I)c(C)c2)c1 1865793 GCEXAQPUXDLMTO-UHFFFAOYSA-N 428.269 5.794 0 40 IKAB Cc1ccc(Cl)cc1NC1=C(Sc2ccccc2)C(=O)N(Cc2ccccc2)C1=O 1907278 KVNDTIPYAXQSAA-UHFFFAOYSA-N 434.948 5.633 0 40 IKAB O=C(Nc1ccccc1)c1ccc(Cl)c(NC(=O)c2ccc(-c3ccccc3)cc2)c1 2069728 CPRALGVBLILBRO-UHFFFAOYSA-N 426.903 6.512 0 40 IKAB O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc4ccccc4c3)cc2o1 2127034 ADUZRXKAJPUSHR-UHFFFAOYSA-N 446.458 6.299 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)NC(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1 2318106 LVDLJCLFAMSODU-SANMLTNESA-N 448.588 5.388 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c(C)c1 2589473 GVMCNWTUCMELKF-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCN(CC)c1ccc(C(=O)OCC(=O)Nc2cc3oc4ccccc4c3cc2OC)cc1 2617016 DNJMPLYTQJTDTK-UHFFFAOYSA-N 446.503 5.236 0 40 IKAB O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2ccc(F)cc2)c2cc(Cl)ccc2N1 2724596 KOEPJWFYTXZBPY-NRFANRHFSA-N 447.268 5.456 0 40 IKAB COc1cccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)c1 2740593 OMXJQJKQMVSHOR-UHFFFAOYSA-N 437.326 6.147 0 40 IKAB CCOc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 2740649 OBUZVJWSCRWADS-UHFFFAOYSA-N 445.606 6.568 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nnc(-c4cccnc4)s3)c3ccccc3n2)cc1 3515955 AGMQUFPGCKOGKN-UHFFFAOYSA-N 439.500 5.076 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)CCSC2=N1 3636402 GSQAXZAJAWRJSG-HSZRJFAPSA-N 448.588 5.378 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)ccc1Cl 3655486 PAZVASQSSZIALD-INIZCTEOSA-N 433.891 6.032 0 40 IKAB COc1ccc(C=CC(=O)OCCOc2ccc(C=CC(=O)c3ccccc3)cc2)cc1 4267850 OFMZLJFYBQURED-UHFFFAOYSA-N 428.484 5.227 0 40 IKAB biogenic CCCCCC(=O)[C@@H]1[C@@H](c2ccc(C)cc2)CC(=O)[C@H](CCCC)[C@@H]1c1ccc(C)cc1 5707147 WRFIWFQYNGCGCJ-ZDIDPRFDSA-N 432.648 7.716 0 40 IKAB C[C@@H](NC(=O)/C=C/c1ccco1)c1nc2ccccc2n1Cc1c(Cl)cccc1Cl 8683421 LAOSXDFJKGEUSY-AYJWMTRPSA-N 440.330 5.875 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cccc23)cc1 8721658 LKYAVULDRDMUAL-UHFFFAOYSA-N 443.930 6.466 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)cc1 8752981 WKIMUGFQNSURFU-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)c1 8758162 AANZEFDZMZPASQ-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB O=C(Cc1ccc(Cl)cc1)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 8803149 XKEDZXCCFJEFID-UHFFFAOYSA-N 429.879 5.399 0 40 IKAB Cc1c(CCC(=O)N(C)CCc2ccccn2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9060752 RPFWFBANSKPIFO-UHFFFAOYSA-N 446.547 5.174 0 40 IKAB CCC1=NN(c2ccccc2)[C@@]2(SC(C(C)=O)=NN2c2ccccc2)c2ccccc21 9075693 HVDFMBHWKIHHMG-VWLOTQADSA-N 426.545 5.587 0 40 IKAB C[C@@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 9130165 SYCJJBDJESXAPU-GCJKJVERSA-N 442.540 6.168 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 9184475 HGRGLIJSOMSKDW-UHFFFAOYSA-N 448.331 5.115 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)c2ccc(OC)cc2)cc1 9250242 UQUUXZCCDUXAIL-UHFFFAOYSA-N 434.561 5.497 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 9315563 DQHDVALQLVQJIV-FQEVSTJZSA-N 428.557 5.748 0 40 IKAB COc1ccc2cc([C@@H]3CC(c4ccco4)=NN3C(=O)c3ccccc3F)c(Cl)nc2c1 9495114 WLXWLGOWJYLIDQ-NRFANRHFSA-N 449.869 5.620 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2ccccc2)cc1Cl 9599384 LGKVZBXTRHXOJY-UHFFFAOYSA-N 441.984 5.582 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3ccc(F)cc3)nc12 9708974 GOOVRXTXXLKICX-UHFFFAOYSA-N 427.888 5.339 0 40 IKAB Cc1nc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)c2c(C)c(C)sc2n1 9875040 PQACTJLXASLYLD-LBPRGKRZSA-N 442.635 5.538 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)c2nc(-c3ccccc3)oc2C)c2ccccc2)cc1 9960978 PSXVGNLXRKAJPN-HSZRJFAPSA-N 426.472 5.495 0 40 IKAB Cc1cc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)ccc1-c1cc2ccccc2oc1=O 10040021 VHHWWCAXNLSXPT-UHFFFAOYSA-N 445.343 5.716 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc5c(c4)OCO5)c3)nc2c1 10040989 RQKNTRVYNNSULG-OAHLLOKOSA-N 428.488 6.298 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 11115002 GLUOSQCIQGZHIV-NHCUHLMSSA-N 427.957 5.165 0 40 IKAB COc1cc(OC)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1Cl 11212551 BQVHWMGODHNVDK-UHFFFAOYSA-N 440.887 5.195 0 40 IKAB COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(C)cc4)o3)s2)cc1 11690424 DWIOYJDXERYHKD-UHFFFAOYSA-N 432.545 5.882 0 40 IKAB Cc1cccc2sc(NC(=O)CCc3csc(NC(=O)c4ccc(F)cc4)n3)nc12 11835146 PORSHYLCOILQIL-UHFFFAOYSA-N 440.525 5.024 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 12462799 SMFTUNQQJHZKBX-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1cc(Cl)cc(Cl)c1 12566568 VDAZZQITAPWIPK-LBPRGKRZSA-N 429.303 5.214 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cc(Cl)ccc1N1CCOCC1 12608668 OWTXDSCHFDTYMR-UHFFFAOYSA-N 448.375 5.135 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F 12791090 LPZZAIKVUXPKLC-UHFFFAOYSA-N 426.847 5.586 0 40 IKAB CC(C)[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccco1)Cc1ccccc1Cl 13511648 IAHPPQDQOMUKQL-XMMPIXPASA-N 449.986 5.562 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1cc2cc(Oc3ccc4c(c3)OCO4)ccc2[nH]1 14008841 UHKSYCMNJWPBJL-QGZVFWFLSA-N 428.488 5.440 0 40 IKAB Cc1nc(SCC(=O)c2ccc(CNC(=O)C(C)(C)C)s2)c2c(C)c(C)sc2n1 14094551 FKALKYBXOBDIHC-UHFFFAOYSA-N 447.651 5.315 0 40 IKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)N1CCC(c2nc3ccccc3s2)CC1 14123991 CXGVJXKGBFAKTL-DEOSSOPVSA-N 447.629 5.443 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCC(Cc2ccccc2)CC1 14241968 PLZOSJPAIBBIIU-KRWDZBQOSA-N 446.576 5.180 0 40 IKAB O=c1[nH]c(SCc2ccccc2F)nc2nc(-c3cccs3)cc(C(F)(F)F)c12 15879619 BLLFSPGDZNQRQA-UHFFFAOYSA-N 437.443 5.497 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCOCC2)C1 15906613 YWNVRWAAUIRNFC-HKBQPEDESA-N 436.496 5.532 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)oc2cc1C 16284206 USWFLJIENSPZJL-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB C[C@@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 16608435 YXOHRYLHCVUPMD-GMQQQROESA-N 442.648 6.359 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(C(F)(F)F)c1 17094707 VMSINFSPVVPGCK-FNORWQNLSA-N 426.221 6.924 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 17097846 SGZIQGGFNKMXEF-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 17344586 QQICRVJSBTVZQS-CQSZACIVSA-N 441.603 5.616 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1 20468064 HTZSQAZCRZLURX-JOCHJYFZSA-N 445.950 6.207 0 40 IKAB CSc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868233 RREIEDNXHNCUOK-XMMPIXPASA-N 445.544 5.459 0 40 IKAB CCN1CCN([C@@H](c2cccs2)c2c(NC(=O)c3ccccc3)sc(C)c2C)CC1 22917857 JYAOTWZPMGUUJO-QFIPXVFZSA-N 439.650 5.406 0 40 IKAB Cc1cccc(NC(=O)Cc2ccc(NS(=O)(=O)c3cc(Cl)cc(Cl)c3)cc2)c1 24928609 PHTABWPWHKQLMR-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 32095591 UFVPXJGRDSWSIY-KRWDZBQOSA-N 444.413 5.057 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 32116434 JPTPZUHXZISUDS-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc(Cl)c1 32116588 SXZKLBKTRUGNGK-UHFFFAOYSA-N 443.684 5.869 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2cccc(Cl)c2)o1 32118787 KXLXZFMOHALSNK-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB COc1ccc(OC)c(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)c1 32909901 CBMQVBNEZKPCAZ-UHFFFAOYSA-N 434.517 5.067 0 40 IKAB CC(C)COc1ccc(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)c2ccccc12 33722300 MJPNTFYEFDYJMC-UHFFFAOYSA-N 432.589 6.499 0 40 IKAB COc1cc(NC(=S)NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)c(OC)cc1Cl 35198804 MVNGBAVBMAORFE-UHFFFAOYSA-N 444.940 5.361 0 40 IKAB CCc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2CC)cc1 36639817 LWXAKRZQTCZLKO-UHFFFAOYSA-N 437.503 5.453 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1ccc(CN2CCCCCC2)cc1 38854990 ADEGREMQTKFBJY-UHFFFAOYSA-N 441.575 5.245 0 40 IKAB COc1ccc(CCN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1OC 40485605 UREAEJLEZOGLQW-DEOSSOPVSA-N 449.934 5.453 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccccc1C 58161119 YZQPUAZQFKREGX-RUZDIDTESA-N 435.527 5.510 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1c1cccc(Cl)c1 59418215 SAYUPTKTAFEYPL-CIAFOILYSA-N 439.895 6.299 0 40 IKAB Cc1cnc([C@H](NC(=O)c2ccc(SCc3cn4ccccc4n3)cc2)C2CC2)s1 78877335 LQWMPDHPMMJYKF-OAQYLSRUSA-N 434.590 5.273 0 40 IKAB COc1ccc([C@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc23)cc1 78903549 WSOJCYUVXHOODL-NRFANRHFSA-N 425.492 5.174 0 40 IKAB CC(=O)N1CCCc2cc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)ccc21 84718334 NZGYVIWIUVXKIL-UHFFFAOYSA-N 438.449 5.924 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@@H]1c1cccc(C)c1 95945938 SAVBLEXTWZGEDP-RUZDIDTESA-N 449.554 5.900 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96234449 JJPUHLUMBWPLRI-KRWDZBQOSA-N 436.364 5.573 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(Br)c(C(F)(F)F)c1 98072947 NBJBOILLMOMOCJ-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccccc1Cl 106971617 PXVKWWHTSYSDLG-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB C[C@@H]1[C@@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)CCC[C@H]1C 108861679 XQQRZJNAYJNLCY-QYZOEREBSA-N 438.593 5.164 0 40 IKAB Cc1ccc(SCCNC(=O)COc2ccc3ccccc3c2Br)cc1 218902010 QIELBIWRWVJWKV-UHFFFAOYSA-N 430.367 5.198 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222607358 NCJQPPPUVARMDG-QPPBQGQZSA-N 440.653 5.075 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@H](C)CC(C)(C)c1ccccc1 222911243 PSTWASKRAWKZJG-JJWXFRNXSA-N 430.548 5.232 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)c1C 223964578 PWXCAAXGRQUTTR-UHFFFAOYSA-N 434.989 5.068 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccc(C)cc1C 223969712 SNRUVIXHWIFUAG-QHCPKHFHSA-N 440.540 5.124 0 40 IKAB CC(C)c1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224028406 GOWLRFJJROBWGA-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1 224050294 OIQCTZNVXNBJQS-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224272473 PXLCYMZNZXMDMK-FQEVSTJZSA-N 443.031 5.586 0 40 IKAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224472528 ASULUEKRAMPCMQ-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(Br)cs1 224555008 SLVLXJCPMQZLNS-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 224632790 ZLCKNJNNYXGOET-XMMPIXPASA-N 440.653 5.365 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1cc(Cl)ccc1OCc1ccccc1 224687335 XCSUZUKCJFOAEH-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224881817 BONDZHWHQRPHBP-MRXNPFEDSA-N 427.342 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224976716 KZDPIATYXXPAKO-ROUUACIJSA-N 433.017 5.154 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225337608 FOEGBVYUWGYEOU-HWWKNPRSSA-N 429.604 6.439 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225346228 YGIOJLHGDDYXOR-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1Cl 225543939 ARZGHLZLBBSCRW-UHFFFAOYSA-N 444.015 6.683 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 225546929 FVTSPCZFBQAJOT-CVDCTZTESA-N 445.003 5.058 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=S)Nc1ccc(Br)c(C)c1 225686430 IJRQFAFJBZIHKP-QGZVFWFLSA-N 435.387 5.355 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1snnc1-c1ccc(Cl)cc1 225771805 NAXTZQFGEUHOPS-UHFFFAOYSA-N 442.327 6.557 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cccc4ncccc34)C2)n1 257224803 FDKIUIDBZXCTAQ-FQEVSTJZSA-N 425.507 5.764 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1 408557811 ODOUGHBDHQTWKT-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Br)cc3C)cc2)c1 408605339 GNMZIPCOVJNDLM-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB Cc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408641432 LJSUIFSEYODBNW-LLVKDONJSA-N 442.140 5.056 0 40 IKAB Cc1ccc(NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)cc1Cl 408703556 SQWDKOXXRAUUTA-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 408805301 FZACYUGFLUDTIB-UHFFFAOYSA-N 434.299 6.155 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(/C=C3/SC(=O)N(c4ccccc4)C3=O)cc2)cc1 408901830 HPEODLHORQKHCH-PXLXIMEGSA-N 444.512 5.253 0 40 IKAB COCCCN1C(=O)C[C@H](c2ccc(Cl)cc2)[C@H]2[C@@H](NCc3ccccc3)CCC[C@H]21 585261861 ZOFWBPQWCPFYBD-TWZJLLKVSA-N 441.015 5.020 0 40 IKAB CCCc1ccc(OCc2nc(N3CCC(Cc4ccccc4)CC3)ncc2C(=O)O)cc1 585265105 GZNUNCPMWJPYCX-UHFFFAOYSA-N 445.563 5.165 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](C(=O)OCc1ccccc1)C(c1ccccc1)c1ccccc1 642882637 XFISHIKNOUFXJK-XMMPIXPASA-N 431.532 5.455 0 40 IKAB Fc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 843633 AJWLGUNRLUABCH-DHIUTWEWSA-N 430.870 5.283 0 40 IKAB O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 865913 NXWKUGIKCUDCHF-WCQYABFASA-N 442.850 5.216 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 1816487 LNRLSDIGAHSWEM-DEOSSOPVSA-N 432.886 5.888 0 40 IKAB Cc1ccc(-c2nc(C(=O)NCCc3c[nH]c4ccccc34)cc3c2[nH]c2ccccc23)cc1 2135418 AOCGKTOXQXHXSD-UHFFFAOYSA-N 444.538 6.145 0 40 IKAB biogenic Cc1ccc(-n2c(SCCOc3ccccc3)nc3sc(C)c(C)c3c2=O)cc1C 2143238 HYEYOGKKRQWQAY-UHFFFAOYSA-N 436.602 5.852 0 40 IKAB Cc1cc(C)c2c(COc3ccc4c(=O)c(-c5ccccc5)c(C)oc4c3)cc(=O)oc2c1 2148976 HZWROWKBUARMGK-UHFFFAOYSA-N 438.479 6.071 0 40 IKAB biogenic Cc1cccc(COc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)c1 2161964 CFCSCRWSITVFBI-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)nc2c1COC(C)(C)C2 2260384 KXSQYGUAUILYSN-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB Cc1cc(CSc2nc3ccccc3o2)c(C)cc1CSc1nc2ccccc2o1 2288804 MSPIIJJPNIGEII-UHFFFAOYSA-N 432.570 7.170 0 40 IKAB COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)[C@H](C)CCC4)cc1 2294036 UHLYIAFCCLDNLS-MRXNPFEDSA-N 448.613 6.188 0 40 IKAB CCN(CC)C(=S)SCC(=O)Nc1nc(-c2ccccc2)c(-c2ccccc2)o1 2356309 IRMNUGAFPPNLKP-UHFFFAOYSA-N 425.579 5.307 0 40 IKAB O=C(COC(=O)c1oc2ccccc2c1CSc1ccc(Cl)cc1)NC1CCCC1 2634593 BHVMQPCXFFWPFP-UHFFFAOYSA-N 443.952 5.594 0 40 IKAB CC[C@H](NCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1)c1ccc(C)cc1 2789233 LFCWKFYAZKYDLW-SFHVURJKSA-N 444.398 5.560 0 40 IKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2C)sc2c1CC[C@@H](C)C2 2795769 GFMAIHAFJZGNLS-CYBMUJFWSA-N 435.973 5.419 0 40 IKAB CCOc1ccccc1Nc1nnc(SCC(=O)N(c2ccccc2)C(C)C)s1 3228773 GDNFQWRUJLAFLL-UHFFFAOYSA-N 428.583 5.214 0 40 IKAB C[C@@H](NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21)c1ccccc1 3251182 QCAFDAUYEFXQLV-GOSISDBHSA-N 432.545 5.100 0 40 IKAB COc1cccc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)c1OC 3286273 JBPVNNBLYVIGOB-XCMFGDQWSA-N 447.487 5.080 0 40 IKAB O=C(OCc1cc(=O)n2c(n1)sc1ccccc12)C1(c2ccc(Cl)cc2)CCCC1 3349986 LJELFSHMRZPIFF-UHFFFAOYSA-N 438.936 5.118 0 40 IKAB Clc1ccc(/C=C(\Oc2ccc(Cl)cc2Cl)c2nc3ccccc3s2)cc1 3849562 CCWVBZRGSRTTHU-ODLFYWEKSA-N 432.759 7.834 0 40 IKAB CCCCOCCOC(=O)C[C@H](/C=C(/C)CC(C)(C)C)C(=O)OCCOCCCC 4803116 FBEWUFDEEMXRNN-ZOECDYFQSA-N 428.610 5.095 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1C 6410140 YCQFMYNBAPUCSB-IBGZPJMESA-N 433.621 5.525 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2CN2CCCC2)c2ccccc2)c1 8394243 NEWULROANHWVLA-HHHXNRCGSA-N 427.592 5.369 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc2ccccc21 8756165 NYBKMCFCZHOKEM-LJQANCHMSA-N 429.495 5.083 0 40 IKAB COc1ccc(NC2=NN=C(c3cc(C)n(Cc4cccs4)c3C)CS2)cc1OC 8860974 JMAZKOITQNJOEU-UHFFFAOYSA-N 440.594 5.151 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8871282 XNFIOYMNYIQUGC-IBGZPJMESA-N 445.950 5.657 0 40 IKAB C[C@H](Sc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@H]1C)c1nc2ccccc2c(=O)[nH]1 8888025 PGBAWKOSYNMYFQ-GQIGUUNPSA-N 446.580 5.181 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(O[C@H](C)CC)cc3)sc2c1 8903267 MBMOOZCFOZGUEF-OAHLLOKOSA-N 426.538 5.683 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)[nH]2)cc1 9199492 BQLJQOATSAGSMF-UHFFFAOYSA-N 434.487 5.519 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Cl)c2)C(=O)N1Cc1ccc(F)cc1Cl 9233388 SJGGTMODZSDQSN-LHHJGKSTSA-N 432.687 5.728 0 40 IKAB COc1ccc(CN(CC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)C(C)=O)cc1 9308154 MZEBJUFDFQQLNJ-AREMUKBSSA-N 444.015 5.905 0 40 IKAB FC(F)(F)c1cccc(N2CCN(CCOCCOc3cccc4ccccc34)CC2)c1 9322347 VSMYEILLIZQBAS-UHFFFAOYSA-N 444.497 5.076 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1c(Cl)cc(Cl)cc1Cl 9373474 UPMVYRKVDBFAKV-UHFFFAOYSA-N 444.796 5.871 0 40 IKAB CC[C@@]1(C(=O)c2ccccc2)[C@@H]2c3c(ccc4ccccc34)OC(=O)[C@@]21C(=O)c1ccccc1 9430391 UCPJDYCVQGWTTI-ARVREXMNSA-N 446.502 6.005 0 40 IKAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 9764471 GTFSYCIEVWQTBD-QGZVFWFLSA-N 441.940 5.002 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)C(=O)N1CCCCCC1 9780368 XNOCDWNXBJQUFB-LBPRGKRZSA-N 430.521 5.184 0 40 IKAB CC(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3c(Cl)cccc23)CC1 10010449 ROCQRLKGASMOSI-UHFFFAOYSA-N 442.346 5.067 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCc2ccccc2C1 12569810 HPCBEBPXWDVCSP-NTCAYCPXSA-N 439.946 5.791 0 40 IKAB Cc1nc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 12692068 VNORAIWUKDIXSW-QWHCGFSZSA-N 429.586 5.376 0 40 IKAB CCn1c(S[C@@H](C)C(=O)NC2CCCCC2)nc2scc(-c3ccccc3)c2c1=O 12799704 CIYYAEBTVHJYJF-HNNXBMFYSA-N 441.622 5.074 0 40 IKAB CC(C)Cn1c(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)nc2ccccc21 13026840 VYQQHEQOPYSURU-RUZDIDTESA-N 448.563 6.732 0 40 IKAB COC(=O)[C@@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 13115636 JMYIPRQNNLKCEK-CQSZACIVSA-N 429.973 5.539 0 40 IKAB CC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3cc2Cc2ccccc2)cc1 13502686 GRKQBMXNQMNMNJ-UHFFFAOYSA-N 426.541 5.759 0 40 IKAB Cc1ccc(CNCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 13564741 DOTQQBMEVXTZIC-UHFFFAOYSA-N 438.506 5.118 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1C 13946110 JEYZWXBBMWJJMA-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB O=C(Cn1c(=O)oc2ccccc21)Nc1nc(-c2cccs2)c(-c2cccs2)s1 14625038 PGISRMMQHAIDDO-UHFFFAOYSA-N 439.543 5.147 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(Cl)c(Cl)c3)nc2cc1Cl 16284280 VPEPXTPJSQOWRO-UHFFFAOYSA-N 430.769 5.692 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2Cl)CC1 16681537 ONUXYCXGCXKVLN-UHFFFAOYSA-N 444.362 5.648 0 40 IKAB O=C(Cn1nc(COc2ccccc2)n(Cc2ccccc2)c1=S)c1ccc(Cl)cc1 16768915 QWYCJKRRYZQCIJ-UHFFFAOYSA-N 449.963 5.578 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)Nc3nc4c(s3)CCCC4)cc(-c3ccccc3)nc12 17098711 RGKDSMYNFGHRID-UHFFFAOYSA-N 433.964 6.451 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4cc(C)c(Cl)c(C)c4)ccc3o2)c1 17099262 YQFVUERBGPMNSK-UHFFFAOYSA-N 434.923 6.399 0 40 IKAB COc1ccccc1N/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 17967223 LAZGPHLILOPHMZ-XMHGGMMESA-N 438.405 5.354 0 40 IKAB CC(C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)(c1ccccc1)c1ccccc1 19644618 AMHVHRDQDFEUGI-UHFFFAOYSA-N 446.506 5.432 0 40 IKAB COc1cc(OC)cc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 19929006 XJALFDRYOKNQQW-UHFFFAOYSA-N 447.516 5.211 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)c3ccc4ccccc4c3)c2)cc1 20107046 WLOTVHDALQVZSN-UHFFFAOYSA-N 443.568 6.169 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 20412017 TYCZLZNOLLWZPA-INIZCTEOSA-N 446.503 5.942 0 40 IKAB Cc1ccc([C@@H](NC(=O)CSCc2ccc(Br)cc2)c2ccccc2)cc1 20453323 KCEZFRCUJDUVQZ-QHCPKHFHSA-N 440.406 5.897 0 40 IKAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)cc1 20632398 WLODANUOJKJUSA-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCN(CCc1ccccc1)C3 20827442 UHDZJOHFZOAMJA-UHFFFAOYSA-N 447.629 5.160 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N1CCC(c2c[nH]c3ccccc23)CC1 23182055 NULNMCMUFRAOTA-UHFFFAOYSA-N 446.576 5.480 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)c(C)c1 23860558 GGIAAXPTNVBGPH-JOCHJYFZSA-N 443.591 5.027 0 40 IKAB CC(C)(C)c1csc(-c2ccc(OCC(=O)Nc3ccccc3OC(F)F)cc2)n1 32745476 ZXCVCNZIEQFSCV-UHFFFAOYSA-N 432.492 5.727 0 40 IKAB Cc1ccc(NC(=O)Nc2ccc(OCc3cc(=O)n4cc(C)ccc4n3)cc2)c(Cl)c1 33068184 RFLFCYZCMIEIHS-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccccc1Cn1c2ccc(F)cc2c2ncn(Cc3ccccc3Cl)c(=O)c21 35400530 GAOQFYFPYSUORU-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)ccc2Cl)c1 38757030 BXPODNKNOKRURS-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB COc1cc(CN(C)C(=O)c2cc(C3CC3)n(C(C)(C)C)n2)ccc1OCc1ccccc1 40135230 XZNCPPYKQNCCBY-UHFFFAOYSA-N 447.579 5.375 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 44839738 QYRLODKRNSOUPG-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1oc2nc(SCCCOCC(F)(F)F)nc(NC(=O)c3ccccc3)c2c1C 58141507 HMPOUTXOVRWTHJ-UHFFFAOYSA-N 439.459 5.153 0 40 IKAB Cc1nnc(SCc2c(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)oc3ccccc23)s1 58245169 XQEGBCUDCYPUMG-HZPDHXFCSA-N 427.595 5.537 0 40 IKAB Cc1cc(Cl)cc(Cl)c1CNC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1 59474561 ATTQHSMGZZCLBR-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB C[C@]1([C@@H]2Cc3ccccc3C(=O)O2)Nc2ccccc2C(c2ccccc2)(c2ccccc2)O1 96306120 AMQREPVATSAXGL-YTMVLYRLSA-N 447.534 5.919 0 40 IKAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 100688434 UZGUXJWZTDQMON-CALCHBBNSA-N 430.577 5.007 0 40 IKAB CC1=C(CC(=O)Nc2cccnc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101460209 BNOFGSHODHMIEE-SFBBKYIBSA-N 432.520 5.315 0 40 IKAB Clc1ccc(C2=C[C@H](c3ccc4c(c3)OCO4)n3nc(-c4ccccc4)nc3N2)cc1 101514224 SZPXNCQBMQOYSG-HXUWFJFHSA-N 428.879 5.383 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H](c4ccc(Cl)cc4)N(c4ccccc4)O[C@H]3C2=O)c(C)c1 102714858 MCAJYCWBANOJCU-QPTUXGOLSA-N 446.934 5.316 0 40 IKAB C[C@@H]1[C@@H](c2ccc(Br)cc2)c2cc3c(cc2O[C@]1(C)N1CCCC1)OCO3 106341929 USEVJXUDAHBZHA-GBSMKCJWSA-N 430.342 5.150 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OCC(C)C 106718841 BFHBGSVNLQBTHH-OYKKKHCWSA-N 447.556 6.120 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)(C)C)cc1 223116607 VBVZQEZPCHDWGP-UXHICEINSA-N 440.603 5.388 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 223375087 FITLNWVVWHBOGB-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@@H](C)CC 223960304 NOFKITJUDFEZCI-KKSFZXQISA-N 435.395 5.258 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Oc2ccccc2)cc1COc1ccccc1 224092592 KYHGIZONKAKNLD-UHFFFAOYSA-N 425.484 6.319 0 40 IKAB Cc1cc(C)cc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c1 224094901 HSFYJIWNWDTTDO-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)cc1 224164857 FJNPCSVLVSPCAX-OAHLLOKOSA-N 430.331 6.072 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 224329825 CKKASHGYXNBPKX-IZZNHLLZSA-N 438.600 5.920 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nnc(SCc2ccccc2)s1 224359572 KKXOKSZMTIAENM-HNNXBMFYSA-N 427.595 5.534 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1C(C)(C)C 224510961 ZIPQQNOCOHSWBK-UHFFFAOYSA-N 439.502 6.492 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc(C(C)(C)C)cc1 224518488 KCJAVTALCVSGRM-UHFFFAOYSA-N 435.608 6.582 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224553834 OFFJQAGLNIMTMW-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB CC(C)(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224865919 FEYGUVDSBJFYMJ-PMACEKPBSA-N 426.973 5.174 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)o2)c1 224900036 JAJSBNUDHUFMCK-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cc(C)cc(C)c1 225014722 OJNIOWVQPQAFJF-FCHUYYIVSA-N 440.653 5.177 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225335935 IZCKTSFSRURGHR-NRFANRHFSA-N 435.395 5.260 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC[C@]2(CC1)CN(c1ccc(F)cc1)C(=O)O2 257229567 FYOSPELIOQYWMI-MHZLTWQESA-N 444.506 5.514 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2Cc2cccc(Cl)c2)nc1CCc1ccc(F)cc1 257294046 QSFKJTMKQIFPIK-XMMPIXPASA-N 438.930 5.695 0 40 IKAB O=C(COc1cccc(/C=C2\C(=O)Nc3ccccc32)c1)Nc1ccc(Cl)c(Cl)c1 408553555 XHJZYIIUYGDNSW-WQRHYEAKSA-N 439.298 5.504 0 40 IKAB Clc1cccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)c1 408555608 GNYLJFGOPVYKBG-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(COc2cccc3ccccc23)n1CC 408594064 DXSLKUYYHRSTJK-UHFFFAOYSA-N 446.576 5.323 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)N[C@H](C)CCc3ccccc3)sc2n1 408625768 YAZRHZRPJBVMNW-MRXNPFEDSA-N 440.638 5.155 0 40 IKAB CCn1c(S/C(=C\c2cc(Cl)ccc2O)C(=O)O)nnc1-c1ccc(Cl)cc1 408635158 XKLHBMJYFNXCBJ-YBEGLDIGSA-N 436.320 5.195 0 40 IKAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408639359 FQDGSBYEJBJVSL-IBGZPJMESA-N 430.504 5.096 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2c(C)cccc2C)C1 408639857 HIIYCAXJKRTSCK-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB CCc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409111877 DOMUFIOPSQUCEG-UHFFFAOYSA-N 446.388 7.356 0 40 IKAB Cc1cc(I)ccc1NC(=O)CSCc1cccc(Cl)c1 409122993 DBYBXTQHJVRBST-UHFFFAOYSA-N 431.726 5.125 0 40 IKAB O=C(O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)o1 409202896 VDBCZUPZFYRZPJ-WOJGMQOQSA-N 425.849 5.539 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409378788 RWHAMKRFNDOGGX-UHFFFAOYSA-N 429.347 6.185 0 40 IKAB CC(C)[C@@H](CC(=O)O)N(Cc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 521396617 XRJUSOJAIOWOKG-AREMUKBSSA-N 443.543 5.937 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@@]2(C)[C@@H]1[C@H](O)C[C@@H]1[C@@]3(C)CC[C@H](O)C(C)(C)[C@H]3CC[C@]12C 585656248 MNVMNXXLQFRDCC-JUSBTWSJSA-N 446.760 7.466 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)cc1 643967 ZHTQKADUSFSFFB-INIZCTEOSA-N 436.577 6.305 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 651506 QLHUSOZUPUCYAY-ZEQRLZLVSA-N 426.907 5.453 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(OC)cc(OC)c2)sc2c1CC[C@H](C(C)(C)C)C2 671911 CBYPGKHQGWIAAD-HNNXBMFYSA-N 445.581 5.345 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(C(F)(F)F)n1)NCc1ccc(Cl)cc1 883812 AESRRGQDWWNTGJ-UHFFFAOYSA-N 437.874 5.224 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(OCC)cc1 957102 IXYJFHAUMNLIGZ-UHFFFAOYSA-N 425.506 5.008 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(-c4ccc(Cl)cc4)cc3n2)cc1OC 1040257 KMLRNOFQZSXJPH-UHFFFAOYSA-N 433.817 5.753 0 40 IKAB COc1ccc(-c2csc(N3CCn4c5c(c6cc(C)ccc64)CCC[C@H]53)n2)cc1OC 1075452 QCAAVDMBZSQLLQ-JOCHJYFZSA-N 445.588 5.988 0 40 IKAB CCc1cc([C@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298752 NBFMOKSIUCKOKI-VWLOTQADSA-N 448.632 6.108 0 40 IKAB CC1(C)C[C@](C)(c2ccc(Br)cc2)c2ccccc2N1C(=O)c1ccccc1 2059436 IZRYNXYZUYXLSC-RUZDIDTESA-N 434.377 6.584 0 40 IKAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc(-c2cc3ccccc3oc2=O)c1 2212711 PROWJOCZKVOVSC-UHFFFAOYSA-N 429.475 6.284 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccccc2)sc(C)c1-c1ccc(C)c(C)c1 2765947 MROPLFPSHJYGPZ-UHFFFAOYSA-N 439.602 6.248 0 40 IKAB O=c1c2ccccc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1F 3299309 LYWAKQYIYFUYCM-UHFFFAOYSA-N 426.900 5.349 0 40 IKAB COc1ccc(-c2cc(-c3ccccc3)nc3sc(C(=O)N4CCCC4)c(N)c23)cc1 3318337 FNKQMWDCJFFSTB-UHFFFAOYSA-N 429.545 5.457 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)OCc1c(Cl)cccc1Cl)c1cccs1 3334683 BPBTYIBPAIJNHD-SFHVURJKSA-N 434.344 5.139 0 40 IKAB CC1(C)CC[C@@]2(C)CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2C1 5699592 GGGUGZHBAOMSFJ-LZSZTYFASA-N 426.729 8.169 0 40 IKAB in-man CC(C)(C)c1cc(CCC(=O)Nc2c3c(nc4c2CCC4)CCCC3)cc(C(C)(C)C)c1O 6075304 LQUIPSJIOLDWPL-UHFFFAOYSA-N 448.651 6.321 0 40 IKAB biogenic C[C@H]1C[C@@H](C[C@@H]2CC[C@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 6469226 MBAJXSUVUDTNQG-ZJKGHYPUSA-N 426.557 5.032 0 40 IKAB Cc1cc(C)c([C@@]2(c3ccccc3)SC(c3ccccc3)=NN2c2ccccc2)c(C)c1 8383956 AGZVIDBAQCTFRI-GDLZYMKVSA-N 434.608 7.428 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2ccccc2Cl)c(=O)n1Cc1ccccc1 8592717 NOMQCUBVWBUAOW-UHFFFAOYSA-N 432.932 5.128 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccc(C)cc2)sc2c1CC[C@@H](C)C2 8781338 LVSZVKNGFMWHIW-QGZVFWFLSA-N 448.588 6.085 0 40 IKAB COc1ccc(-c2csc3nc(C)nc(Oc4ccc(NC(C)=O)cc4)c23)cc1OC 8985410 DIVKXYRLNONOMG-UHFFFAOYSA-N 435.505 5.435 0 40 IKAB CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 9287901 VDDUSYQXSVDMQA-KYJUHHDHSA-N 443.590 7.216 0 40 IKAB C[C@@H]1C[C@H](Sc2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)C(=O)O1 9336621 JVYSRNRPBBQUBS-BLVKFPJESA-N 437.908 5.401 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@@H](C)c4ccc(Cl)cc4)c(=O)c23)s1 9464933 DBXKXTNKXZJPHN-ZDUSSCGKSA-N 443.981 5.026 0 40 IKAB COc1ccc(-c2noc(CCCCCNC(=O)c3ccc(Cl)cc3Cl)n2)cc1 9501077 ZPQGCSLHTSIVSU-UHFFFAOYSA-N 434.323 5.195 0 40 IKAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 9522248 MHEVJEJJJBCKEP-UHFFFAOYSA-N 438.455 5.079 0 40 IKAB Cc1cc(F)ccc1N[C@@H](c1nnc(-c2cccc(F)c2)o1)c1ccc(F)cc1Cl 9606710 SUDSFXUWRKGRJF-HXUWFJFHSA-N 429.829 6.317 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1nc2c(s1)CSc1ccccc1-2 9910716 IGMJGMZJAHBCKG-UHFFFAOYSA-N 433.023 6.580 0 40 IKAB CCc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 10331787 GYDZYCNXDIPHCS-UHFFFAOYSA-N 436.577 5.238 0 40 IKAB CCCCCOc1ccc(C(=O)N(CCCN(C)C)c2nc3ccc(C)cc3s2)cc1 12140913 GAFNCDOQDDXHEA-UHFFFAOYSA-N 439.625 5.772 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(Cl)c2)cc1 12195935 YJZAGXVKNCQZCB-JYFHCDHNSA-N 448.950 6.380 0 40 IKAB O=C(NC1CCCCC1)N(Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 12249861 PMXCPHBHZSAPHM-NRFANRHFSA-N 445.563 5.293 0 40 IKAB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@H](c2ccco2)N1CCc1c[nH]c2ccccc12 12323638 SXQDVTHFDGKUSF-DEOSSOPVSA-N 426.451 5.078 0 40 IKAB Cc1ccc(NC(=O)c2cnn(-c3ccc(C(F)(F)F)cn3)c2C(F)(F)F)c(C)c1 12527100 YWSIFLGECWHXCT-UHFFFAOYSA-N 428.336 5.174 0 40 IKAB CCc1cccc(N(C(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c2nc3ccccc3s2)c1 12690865 JYNMSMFHCRRVCN-SFHVURJKSA-N 444.556 6.194 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc4c(c3)OCO4)c2)cc1 12858882 ZFHKKJWKQHHWCV-XAYXJRQQSA-N 443.499 6.085 0 40 IKAB biogenic O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2ccc(Cl)cc2)no1 12982870 NEFHIVIBONQIKW-UHFFFAOYSA-N 438.871 5.016 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc(OC)c1 12993280 YZYWRRFOQDLTBO-UHFFFAOYSA-N 427.298 5.089 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 13026838 DIBZRIJJUQQLMY-SANMLTNESA-N 444.575 5.381 0 40 IKAB COc1ccc(CN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026871 ZBNBJERGPUCSIM-VWLOTQADSA-N 446.547 5.039 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N(Cc2ccc3c(c2)OCO3)C2CCCC2)c1 13039371 PDDYGHYMLGJIFZ-UHFFFAOYSA-N 448.519 5.184 0 40 IKAB CCn1c(SCC(=O)Nc2ccnn2C2CCCCC2)nnc1-c1ccc(Cl)cc1 13150050 HYAVKTJXNKFAIE-UHFFFAOYSA-N 444.992 5.051 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 13502681 HOKWSSDPQLIAAD-UHFFFAOYSA-N 426.541 5.759 0 40 IKAB C[C@H]1S[C@@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O 15277093 IKBYXAGYPKOQAO-PEBXRYMYSA-N 430.356 6.953 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OCc1ccccc1 15947767 CAMGTXMMPQJEJN-GYCJOSAFSA-N 448.588 6.280 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccc(C)cc12 16348256 KWZKYCFLLQEDOM-UHFFFAOYSA-N 426.472 5.242 0 40 IKAB COc1cccc(Cn2nc(-c3ccccc3OC)c(Cl)c2-c2ccccc2OC)c1 17099287 IYOAEDXVWABYAS-UHFFFAOYSA-N 434.923 5.945 0 40 IKAB O=C(CC1CCCC1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 19400700 UPNOWJXQNJEUJY-NBGIEHNGSA-N 427.539 5.010 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2cccc(Cl)c2)o1 19630935 HDNZRXSVMRQPHT-UHFFFAOYSA-N 439.968 5.323 0 40 IKAB O=C(Cc1ccc2c(c1)CCCO2)N1CCC[C@@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688542 XUMSBGHMKWBWGW-RUZDIDTESA-N 430.523 5.043 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 19933302 VJFYDPTUHYHQRM-HSZRJFAPSA-N 442.049 7.450 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 20058924 NRPXUQNFIIKJER-BXKMTCNYSA-N 443.478 5.654 0 40 IKAB COc1ccc(NC(=O)C[C@@H](c2ccc(C)cc2)c2ccc(OC(C)C)cc2)c(OC)c1 26503785 YMGUVUYNQLODFW-DEOSSOPVSA-N 433.548 5.960 0 40 IKAB Cc1ccccc1CSc1ncc(Sc2ccccc2)c(C(=O)Nc2ccccc2)n1 28290532 DMHFUCBIIMOCAW-UHFFFAOYSA-N 443.597 6.481 0 40 IKAB FC(F)(F)c1nc(SC[C@H]2CSc3nnc(-c4ccccc4)n32)c2ccccc2n1 32906015 AIBVJYSNGYIILL-ZDUSSCGKSA-N 445.495 5.346 0 40 IKAB Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(F)cc3)cc(=O)n2c1 33026528 OJXAQQZJVZLFEE-UHFFFAOYSA-N 434.496 5.078 0 40 IKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4c(F)cccc4F)n(C)n3)n2)cc1 35683032 BIVOBKFQVOTRPV-UHFFFAOYSA-N 440.475 5.140 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 40485299 YRIHCGMKLKBWAC-JOCHJYFZSA-N 434.333 5.810 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc(C)cc4)cc23)cc1 57720909 BTERCAMFNSEMST-UHFFFAOYSA-N 436.515 5.310 0 40 IKAB C[C@H](CCC(=O)N1CCCC1)[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 62001352 JWFCDGLPKVNFEN-QUKDRKDGSA-N 445.688 5.016 0 40 IKAB biogenic O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1cccc(F)c1 67295291 HHEJNWQTLWQKCD-NKFKGCMQSA-N 444.285 5.276 0 40 IKAB CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccc3c(c2)COC3)nc1-c1ccccc1 72307385 MZZQYPQJNHMXKD-NRFANRHFSA-N 438.549 5.021 0 40 IKAB CCOc1ccc(Nc2cc(-n3nc(C(F)(F)F)cc3-c3ccccc3)ncn2)cc1 95481752 ZOHUMQISQCVFPF-UHFFFAOYSA-N 425.414 5.490 0 40 IKAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@H]2CC[C@H]1CC(O)(Cc1ccc(F)cc1F)C2 101825294 OSQHMBRGXPCYHN-VXKWHMMOSA-N 449.497 5.498 0 40 IKAB COc1ccccc1NC(=O)c1ccccc1NC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102326558 DBWSINMNXLXSJM-IMWZJCIKSA-N 438.955 5.464 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(C)cc4)C3=C(O)C2)cc1OC 104158643 RARIFBVFOAQOEU-MMTVBGGISA-N 440.543 6.641 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(-c4nc5ccccc5s4)ccc3C)o2)cc1C 107646093 AWJCCMMDKMSYPO-UHFFFAOYSA-N 438.552 7.401 0 40 IKAB CCO[C@H]1C[C@H]2C[C@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@]3(C)C2=C(C)O1 118936684 FEDFCOPSAFXWTA-OSCBURFQSA-N 428.613 6.164 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1Cl 139008016 QPIQYSFHKVTJFV-UHFFFAOYSA-N 448.881 5.798 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 222624346 JLEBYIGHNCBTSC-JTSKRJEESA-N 449.422 5.301 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NCCc1ccccc1 223123922 MCHMVNFSVLRINR-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)[C@H](C)Oc2ccc(Br)cc2)c2ccccc2O1 223739067 OOLZNEYUTQKEKX-HNAYVOBHSA-N 432.358 5.415 0 40 IKAB COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1C 223801422 LSVCHDNXVJUUET-UHFFFAOYSA-N 431.897 5.028 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975564 JKQIAPRYZGHFRI-UHFFFAOYSA-N 442.968 5.518 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1CSc1ccc(Cl)cc1 224391043 YCOGBQLYCMZJTQ-UHFFFAOYSA-N 429.994 6.615 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 224439130 FLNADYAARLKPDL-IBGZPJMESA-N 439.408 5.029 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C2CCCC2)c1C 224563714 QAUWZAOSBACJHW-RPBOFIJWSA-N 446.620 5.801 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 224739026 HPKFHLQWRZMAJL-QHCPKHFHSA-N 429.004 5.079 0 40 IKAB Cc1ccc(CC(=O)N(Cc2cccc(C)c2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224814849 CEGRBVBFFZYDDY-MHZLTWQESA-N 442.603 5.011 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225551154 LQTUQEFMFOLOMR-UHFFFAOYSA-N 443.031 6.291 0 40 IKAB COc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c2cccnc12 225611172 LOPFBWGLBBWJGA-UHFFFAOYSA-N 432.014 5.507 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1O[C@@H](C)CC 225681686 NNTWKFZOIKULTC-KRWDZBQOSA-N 427.516 5.630 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)ccc1OC 225766491 ZTZWSIWWKTVDAJ-UHFFFAOYSA-N 436.335 5.629 0 40 IKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccc(Cc4noc(C(C)C)n4)cc3)c2)n1 225914983 MGTUIJQSHMBQTN-UHFFFAOYSA-N 442.523 5.187 0 40 IKAB C[C@H]1C[C@@H]2[C@H]3C[C@H]4O[C@]5(CC[C@@H](C)CO5)[C@@H](C)[C@H]4[C@@]3(C)CC[C@H]2[C@@]2(C)CC[C@@H](O)C[C@]12O 253590793 KEOLCBLQBIWDBI-SFZBPUCFSA-N 446.672 5.155 0 40 IKAB CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)Nc3ccccc3)N[C@H]2c2ccc(Cl)c(F)c2)n1 257201816 AJDJIFZTTODFMK-WTNAPCKOSA-N 440.950 5.256 0 40 IKAB CC(C)c1ccc(NC(=O)CN2CCC[C@@H]2Cc2c(C(=O)O)sc3ccccc23)cc1 257283979 PATHIMKSZICNNL-LJQANCHMSA-N 436.577 5.369 0 40 IKAB Cc1ccc(C(C)C)cc1OCCNc1ncc(C(=O)O)c(CCCc2ccccc2)n1 257295761 QZSKMKCKFKZUNM-UHFFFAOYSA-N 433.552 5.273 0 40 IKAB O=C(c1cccc2ncccc12)N1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257297929 RJJXSMQFEPMMLW-VWLOTQADSA-N 443.934 5.088 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccccc3SC)sc2n1 408635410 ARGCCKZSQZSTRY-UHFFFAOYSA-N 430.624 5.378 0 40 IKAB CSc1cccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)c1 408636856 VADYPJGEFOWUDT-UHFFFAOYSA-N 430.624 5.378 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 408662471 RPGFUBWZWNSBSM-LATRNWQMSA-N 446.330 5.020 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3cc(Cl)ccc3C)n2)c1 408699430 WVMIEYIFGXQMCI-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c(C)c1 408724278 JKLMUXAKUBIIBJ-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409012769 KMZKDBKKEXQQPG-MDBUFAAASA-N 449.931 5.902 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccc(F)cc1 409098057 JYWJQNTZICNXCR-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@H](C(=O)c1ccccc1)c1ccccc1 409178610 LPKCCJODCAUMNZ-QHCPKHFHSA-N 437.879 5.088 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N[C@H](C)c3ccccc3)n2-c2ccccc2)c1 409331818 OCNGJMDUUNPKLF-LJQANCHMSA-N 428.561 5.212 0 40 IKAB CCCCCOc1ccc(C(C)(c2ccccc2)c2ccc(OCCCCC)cc2)cc1 1083803038 TTWMYTVFVYIGSF-UHFFFAOYSA-N 430.632 8.179 0 40 IKAB O=C(N1CCC(Cc2cccc3cccnc23)CC1)C1(c2ccc(Cl)cc2)CCOCC1 1848355760 FPVLCZXQAQBUCH-UHFFFAOYSA-N 448.994 5.418 0 40 IKAB O=C(c1ccccc1)[C@@H](Cn1cncn1)[C@H](Sc1ccc(Cl)cc1)c1ccccc1 630050 PLEIRHUGPRYAFK-ISKFKSNPSA-N 433.964 5.964 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327408 OHQYCNZQSXCZRO-UHFFFAOYSA-N 449.457 5.049 0 40 IKAB O=CNc1cc(-c2ccc(F)cc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 1405011 USWPMENKQNZQBF-UHFFFAOYSA-N 443.301 5.133 0 40 IKAB Cc1c(-c2ccccc2)oc2ccc(OCCCCCCN3CCC(O)CC3)cc2c1=O 1533379 RFUIYSLMVBVREF-UHFFFAOYSA-N 435.564 5.164 0 40 IKAB investigational O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 2374177 FWDPHRPQKVGFJL-WWPJHQMMSA-N 446.506 5.060 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2C)n1-c1ccccc1 2434814 UELDZYSCKJMIJJ-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2Cl)cs1)c1ccc(OC[C@H]2CCCO2)cc1 2616825 IIWNGLGBKYAGTD-MRXNPFEDSA-N 449.359 5.927 0 40 IKAB aggregator Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 3011325 HSTFIOVPTPGTFY-MJGOQNOKSA-N 448.876 6.066 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccccc1-c1ccccc1 3012000 MUMUKNVICSPMNJ-WJOKGBTCSA-N 431.579 7.489 0 40 IKAB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4cccc5cccnc45)cc3c2C1 6292434 ODYYALBVAZFORX-KRWDZBQOSA-N 434.561 5.933 0 40 IKAB N=C1S/C(=C/c2cn(-c3ccccc3)nc2-c2cccs2)C(=O)N1c1nccs1 8780837 YAGDSXFGRLUQQR-CLEIAUBXSA-N 435.559 5.113 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 8831125 MLJVAIUYKMXRSA-UHFFFAOYSA-N 446.557 5.049 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc1OCC 8919955 BAMKEYFCDFMTHU-AOMKIAJQSA-N 442.625 6.516 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1ccccc1-c1ccccc1 9056215 LYHFUGQFEABHHT-INIZCTEOSA-N 432.574 6.068 0 40 IKAB Cc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 9064837 CGSDULXHJSXAJZ-QPJJXVBHSA-N 447.343 5.794 0 40 IKAB Cc1oc2cc(OCCN3CCCCC3)ccc2c(=O)c1-c1ccc(Br)cc1 9184326 GRNQXFGCWATLDB-UHFFFAOYSA-N 442.353 5.396 0 40 IKAB biogenic COc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccccc4Br)c3)nc2c1 9190256 AGLZVUATFILEPX-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)c2c(Cl)cccc2Cl)c2ccccc2)c1 9284619 MVLLWWOPGCIVIS-HXUWFJFHSA-N 430.287 5.539 0 40 IKAB Clc1ccc([C@H]2C[C@H](c3cccc(Br)c3)n3c(nc4ccccc43)N2)cc1 9292553 XJGHNJDNTSCSLR-TZIWHRDSSA-N 438.756 6.599 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2ccc(Cl)cc2)sc2c1CCCCC2 9444088 AUBQXDFDOTWPTE-CYBMUJFWSA-N 438.014 5.966 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 9949611 QFPLWLJILPZAFC-FQEVSTJZSA-N 435.505 5.427 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1)c1ccc2c(c1)OCO2 10040318 VQRSIVSMFZAFMJ-UHFFFAOYSA-N 427.243 5.783 0 40 IKAB CCC(=O)N1c2ccc(C)cc2[C@H](N(C(=O)Nc2ccccc2)c2ccc(C)cc2)C[C@H]1C 10383714 AGMNXXCMNDHQKT-QFQXNSOFSA-N 441.575 6.618 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4cccc(Br)c4)n3)oc12 10749401 GWVYHERSOGDTPB-UHFFFAOYSA-N 443.322 5.970 0 40 IKAB COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)c(OC)c1OC 12185712 WSGWUZVUVXPTAE-OAQYLSRUSA-N 440.515 5.624 0 40 IKAB Fc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 12193888 VJFMKVICVXBPSM-IFMALSPDSA-N 447.724 7.028 0 40 IKAB COc1cc(CC(=O)Nc2ccccc2-c2nc3ccccc3s2)cc(OC)c1OC 12755959 PWNMTABARQMBGT-UHFFFAOYSA-N 434.517 5.170 0 40 IKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)c1 12771363 QNUNDINEVWGDKY-LJQANCHMSA-N 428.561 5.369 0 40 IKAB COc1cc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCCO3)cc(Cl)c1OC(C)C 12925540 SDWVMGKOPSSNQK-IBGZPJMESA-N 445.943 5.274 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)CCCOc3ccc(OCC)cc3)n2)c1C 13129872 KICAJYZXFMUINI-UHFFFAOYSA-N 441.597 5.835 0 40 IKAB Cc1cc(C(=O)CSc2nc(-c3cccs3)n[nH]2)c(C)n1CCc1cccs1 13150044 WJXBBDSWFIXYLT-UHFFFAOYSA-N 428.608 5.231 0 40 IKAB COc1ccccc1OCC(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 13628151 VTJDQMSGRLQNNE-UHFFFAOYSA-N 432.520 5.263 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cc1 14270521 CFIGCVJYNBTPID-CXUHLZMHSA-N 440.572 5.880 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 14272853 TYVJNTXKTAFYKP-LLVKDONJSA-N 441.163 5.986 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2cc3ccccc3oc2=O)cc1 14272964 FTTQMLLEYBJBDC-UHFFFAOYSA-N 443.808 6.385 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)c2C(N)=O)C1 14273339 ILRCMJQXOOSPPU-JTQLQIEISA-N 449.359 5.791 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4OC)cc3c2C)c1 15729518 CSWAYRMKFRTFIE-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic Cc1cccnc1N1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Br)c1 16736371 RGKADQYFWIDCHW-LJQANCHMSA-N 447.288 5.009 0 40 IKAB O[C@]1(C(F)(F)F)[C@H]2Cc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957566 JEOQAKYOQCNWOA-KXBFYZLASA-N 435.858 5.111 0 40 IKAB CC(C)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 17098350 GPKNWZASBWYZBZ-UHFFFAOYSA-N 433.360 6.504 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 19082020 DVJGIYBHDICOSZ-NRFANRHFSA-N 434.411 5.504 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)c1 19294059 ULHKQGFUXOVFFO-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB Clc1cc2c(cc1CN1CCC[C@H]1c1nnc(-c3nccc4ccccc34)o1)OCO2 19376469 SVJVRPXALNSDNK-SFHVURJKSA-N 434.883 5.004 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1cccc2c(Br)cccc12 19637836 CYRPDPOGENELAN-UHFFFAOYSA-N 443.410 5.175 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccccc3C(=O)NC(C)(C)C)cc2)cc1 20242046 LYMSEKXOEHNBGD-UHFFFAOYSA-N 432.589 6.068 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411024 NBNPRBAPCUVQIK-UHFFFAOYSA-N 427.869 5.056 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)cc3n2)cc1 20611300 ILBBOYIHUIVRQI-UHFFFAOYSA-N 430.508 5.025 0 40 IKAB Cc1ccc(Nc2oc(/C=C/c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 25328862 UOPUCMRGAPOQIW-SFQUDFHCSA-N 430.529 6.038 0 40 IKAB C[C@H]1CSC(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2cccc(C(F)(F)F)c2)=N1 27525466 WJGNBMBBNUZKOE-JTQLQIEISA-N 448.297 6.542 0 40 IKAB Cc1ccc(CN(CCc2ccccc2)C(=O)CCc2nc(-c3ccccc3)no2)s1 32741395 SAGWJNJOCJRSDQ-UHFFFAOYSA-N 431.561 5.311 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1nc2ccccc2n1C(F)F 32879655 YUPURHSSFNSPMC-HNNXBMFYSA-N 448.498 5.984 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccc(F)cc2)CC1 37100516 DYBPQEIEBDTVKP-AREMUKBSSA-N 427.523 5.362 0 40 IKAB CCOc1ccc(-c2cc3c(SCc4cccc(C(F)(F)F)c4)nccn3n2)cc1 45925338 WASCYAKBMVTSLZ-UHFFFAOYSA-N 429.467 6.106 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4C)no3)nc3ccsc3c2=O)cc1 45939258 VFTHTPBQISINOP-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 72355870 NKPLHEVDPYSGFK-QFIPXVFZSA-N 436.437 5.621 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)C2CCCCC2)n1 72376882 RULSLJWJIGAWMM-LJQANCHMSA-N 432.490 5.379 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)CC[C@H]4CCCO4)C3)noc2n1 72390269 ZRYYQWFOXLENCQ-HUUCEWRRSA-N 439.478 5.030 0 40 IKAB COc1ccc(C(=O)N2CCC(c3nc(-c4ccsc4)cc(C(F)(F)F)n3)CC2)cc1 72390476 VYFKPJMPKQWPSM-UHFFFAOYSA-N 447.482 5.252 0 40 IKAB Cc1ccc(CNC(=O)c2nnc(/C(Cl)=C/c3csc4ccccc34)s2)cc1 84150358 CBBYLBOLCJXCBN-YVLHZVERSA-N 425.966 5.728 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5ccc(C)nc5)cc34)cs2)cc1 96037877 MCUSMSSQYHYUNR-UHFFFAOYSA-N 442.500 5.583 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 113958853 MEWSBGJRCCCMBF-JOCHJYFZSA-N 442.603 5.641 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)c1cccc(OCc3ccccc3Cl)c1)CC(C)(C)O2 219846794 QSYFZEPLGWJAIC-HSZRJFAPSA-N 435.951 6.260 0 40 IKAB CCC1(CC)C[C@H](NC(=O)CSCc2c(Cl)cccc2Cl)c2ccccc2O1 222714711 FNEMNIGIPXLAAI-IBGZPJMESA-N 438.420 6.425 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 223095521 LJOSJJILHKQPOX-IBGZPJMESA-N 447.044 5.215 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 223184099 JZHZBNIXLUSEQH-INIZCTEOSA-N 440.436 6.242 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 223397962 FWKPAVSEICHQKE-DHIUTWEWSA-N 445.979 5.093 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C 223549930 ARHYMFFZYJUQBK-DQEYMECFSA-N 439.588 5.057 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2)c1 224538428 GBEZIWXKKJXLMB-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1C(C)C 224567025 ONWIABYNWFLTHT-UHFFFAOYSA-N 433.548 6.439 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)NC(c3ccccc3)c3ccccc3)o2)c(OC)c1 224873031 BZQYYAVPDJKXIN-UHFFFAOYSA-N 442.515 5.197 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257209301 BPVHIWLQNFEESR-NRFANRHFSA-N 437.543 5.310 0 40 IKAB CCCC(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCCCC3)CC2)C1 257258465 KUAPTIFNGNUZSR-UHFFFAOYSA-N 440.672 6.181 0 40 IKAB O=C1CS[C@H](c2cccc(OCc3cccc4ccccc34)c2)N1c1ccc(Cl)cc1 408560248 YAVWQRCXQODHQH-AREMUKBSSA-N 445.971 6.851 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 408638280 QQMSWJHMFYZUHF-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)ccc2OC)cc1 408675000 FSUHJESADJUFSV-UHFFFAOYSA-N 428.488 5.143 0 40 IKAB Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)ccc1Cl 408714897 YIPICTZBQHCDAV-UHFFFAOYSA-N 427.932 5.033 0 40 IKAB O=C1OC(c2ccc(Cl)cc2Cl)=N/C1=C/c1ccccc1OC(=O)c1ccccc1 408840566 ZIIHLRCLOIJLIJ-XDHOZWIPSA-N 438.266 5.557 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)cc1Cl 409116350 PFHWSOBSULVQPG-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)c1 409264994 MCVNOTAIRTUFPK-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2C)c1 409412163 SKPYCXDYXVOTFT-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1nc(CN2CCC[C@@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)co1 585268741 AUQMUCNSWAOUMA-QGZVFWFLSA-N 436.459 5.048 0 40 IKAB CCOC(=O)COc1ccccc1[C@@H]1Nc2ccccc2C(=O)N1c1cccc(Cl)c1 679671 HRWZSCUTQLQDGV-HSZRJFAPSA-N 436.895 5.053 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3c(Cl)c(Cl)c(Cl)c(Cl)c3C2=O)cc1 990298 ATEGLAYFDAXCHJ-UHFFFAOYSA-N 433.074 5.278 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2cc(Cl)ccc2Cl)o1 1083380 RNVPAQHHBBTXEU-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 1310399 DTZVTNPIBQEXSN-SFHVURJKSA-N 429.701 5.687 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c1 1332740 NTEOIFHNFTVESB-UHFFFAOYSA-N 440.590 5.440 0 40 IKAB COc1cccc(-c2noc([C@H]3CCCN(C(=O)Nc4ccc(C(F)(F)F)cc4)C3)n2)c1 1360349 RZWMBEOAZYLRLJ-HNNXBMFYSA-N 446.429 5.176 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385959 ZJCBEEARPWEQHE-CQSZACIVSA-N 443.305 5.715 0 40 IKAB CCOC(=O)c1cnc(SC)nc1Oc1cccc(NC(=O)c2cccc(Cl)c2)c1 1394771 ZPWYMUWDYMZSRV-UHFFFAOYSA-N 443.912 5.073 0 40 IKAB O=C1O[C@H]2C=CC=C[C@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 1452987 VPISIZKQRYTQNU-LIRRHRJNSA-N 428.435 5.056 0 40 IKAB Clc1ccc(-c2nc(N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1Cl 1738209 JZBICGFCAOEIIA-UHFFFAOYSA-N 448.397 7.063 0 40 IKAB Cc1c(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cccc1-c1nc2ccccc2s1 1857859 OHQOTFLNJZWFFD-UHFFFAOYSA-N 444.943 7.437 0 40 IKAB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)cc1Cl 2060909 IXTQFWLGRLOABG-SANMLTNESA-N 438.398 7.437 0 40 IKAB CCC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 2183502 PLFJJXVLJSSGHX-IAGOWNOFSA-N 443.609 5.971 0 40 IKAB CC(C)CC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2293629 UVQJQSGKBQDFKG-UHFFFAOYSA-N 437.952 6.161 0 40 IKAB Cc1ccc(S(=O)(=O)NC(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1 2318107 LVDLJCLFAMSODU-AREMUKBSSA-N 448.588 5.388 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 2382977 XKQBPRHPYNRBAN-QGZVFWFLSA-N 444.579 6.262 0 40 IKAB COc1ccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 2546379 DDKPOMFOGBORPB-DEOSSOPVSA-N 443.572 6.222 0 40 IKAB Cc1ccc(NC(=O)[C@H]2CC(=O)N=C(Nc3ccc(Cl)c(Cl)c3)S2)cc1Cl 2739570 PDYZICCHWFGBJS-OAHLLOKOSA-N 442.755 5.394 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1C 2768831 FGAZQZPIGBPDBY-LJQANCHMSA-N 428.963 6.971 0 40 IKAB Cc1ccc(Oc2c(COC(=O)Nc3ccc(Cl)cc3)c(-c3ccccc3)nn2C)cc1 3135101 YAKFDEGWQVFACT-UHFFFAOYSA-N 447.922 6.590 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(F)cc3)c3ccccc23)cc1 3300151 RJJFPBKJEBMPKK-MRXNPFEDSA-N 445.519 5.758 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1 3346778 WAALIUQVBJRECP-FQEVSTJZSA-N 448.828 5.879 0 40 IKAB C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3379088 ZUJZWWXYCGMUSF-CQSZACIVSA-N 429.303 5.921 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)N[C@@H]1CCCc2ccccc21 3403124 WSMGARBJDKATOT-HSZRJFAPSA-N 440.572 5.220 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)C2(C(=O)NC3CCCCC3)CCCCC2)cc1 3626071 FAUHHSKRIAWPSX-UHFFFAOYSA-N 438.637 5.784 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(Br)cc2)cc1Cl 3664101 FZKJLMZNKFFLEP-FQEVSTJZSA-N 427.729 6.182 0 40 IKAB CCC(C)(C)SCC(=O)OC[C@@]1(C)CCC[C@@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 4804323 OGDFLFXEEQMLTP-UOOXCUFBSA-N 432.714 7.587 0 40 IKAB COC(=O)c1c(NC(=O)CSc2nc3c(C)cc(C)cc3cc2C)sc(C)c1C 6193467 DNXRBAPWMKXVAY-UHFFFAOYSA-N 428.579 5.356 0 40 IKAB O=C(O)c1c(Oc2cccc(C(F)(F)F)c2)c(-c2ccc(Cl)cc2)nc2ccccc12 8781708 INNLZEGZGDIXDJ-UHFFFAOYSA-N 443.808 7.065 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1C 8922535 UNBGJUKCDQEGHS-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB COc1cccc(-c2nnc(SCCCC(=O)c3ccc(Br)cc3)n2C)c1 8943215 VMRUPQKBKNGETF-UHFFFAOYSA-N 446.370 5.008 0 40 IKAB O=C(/C=C/c1ccc2ccccc2n1)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1 9127148 YVMGONIXSXZKMX-SDNWHVSQSA-N 430.895 5.143 0 40 IKAB O=C(CSc1cn(Cc2ccc(Br)cc2)c2ccccc12)N1CCCC1 9391708 NBESUIRZTMIDGM-UHFFFAOYSA-N 429.383 5.167 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc3c(C)c(C(=O)c4ccc(Cl)cc4)oc3c2)cc1 9572625 PROVTDWSHDSAKS-UHFFFAOYSA-N 439.920 5.735 0 40 IKAB biogenic CC[C@H](C)c1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 9797809 MBFLCLAZECXJCO-HNNXBMFYSA-N 435.524 5.416 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(COc2cc(Cl)c(Cl)cc2Cl)o1 9865625 OHXRBYNFORXTAA-UHFFFAOYSA-N 436.682 6.239 0 40 IKAB Cc1cccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 9869782 ZPQZHLYVVQKMKR-GOSISDBHSA-N 445.544 5.743 0 40 IKAB CC(C)Cn1c(SCc2nc(-c3ccccc3Cl)no2)nnc1-c1ccccc1F 9910246 ONXFUCHAOAZCHF-UHFFFAOYSA-N 443.935 5.736 0 40 IKAB Cc1cccc(CCCNC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 10110629 ZEEIRPFGOAWWBD-MHZLTWQESA-N 444.600 5.132 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)N2CCC(c3c[nH]c4ccccc34)CC2)c(Br)c1 10225116 XIKDIKZHMZWUCZ-INIZCTEOSA-N 440.385 5.445 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1C(=O)N(C)C1CCCCC1 12137059 KGQZNHXAWYJMNA-HNNXBMFYSA-N 449.378 5.804 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12193029 QHUCHETWCXZLTG-IXCJQBJRSA-N 442.559 6.507 0 40 IKAB Cc1cc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)c(Cl)nc2cc1C 12493880 HELYGKLJFTWJFV-UHFFFAOYSA-N 444.966 6.443 0 40 IKAB Cc1ccc2c(Cn3cnc4scc(-c5ccc(C)c(C)c5)c4c3=O)cc(=O)oc2c1 12761833 NNOLXGURCRZYJQ-UHFFFAOYSA-N 428.513 5.205 0 40 IKAB O=c1[nH]c(CN2CCC[C@@H]2c2nc3ccccc3s2)nc2sc(-c3ccccc3)cc12 12769652 UNFSAKXWIKCYQR-GOSISDBHSA-N 444.585 5.598 0 40 IKAB CC[C@H](C)n1c(SCC(=O)N[C@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 12784535 HCMVVEAEWLVWPC-ZWKOTPCHSA-N 445.588 5.490 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1ccc(CN2CCCCC2)cc1 12866438 GVZZLWASDOUNQD-UHFFFAOYSA-N 443.595 5.300 0 40 IKAB COC(=O)c1ccc(-c2c(NCc3ccccc3)oc3c2c(=O)oc2ccccc23)cc1 13592583 GMPWWGBUCFOZQN-UHFFFAOYSA-N 425.440 5.605 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)cc1Cl 14271367 GYLWMSRIPVWHFP-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB O=S(=O)(/C(=C/c1ccc(Cl)cc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 15979474 RPCIGRRVNSIWBR-UDWIEESQSA-N 429.328 5.842 0 40 IKAB COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)c1 16291783 DBRFQUYNYRHFMQ-HSZRJFAPSA-N 426.965 6.772 0 40 IKAB CCOc1cc(CN[C@H](C)CC)cc(Br)c1OCc1ccc(Cl)cc1 16610302 JLCVZKPRLIOETH-CQSZACIVSA-N 426.782 5.968 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 17095157 CZMSLTLDRHPQSO-UHFFFAOYSA-N 426.866 5.755 0 40 IKAB CC(=O)c1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 17102847 PQMSOHJDNJOPLD-PKNBQFBNSA-N 438.936 5.637 0 40 IKAB C[C@@H]1C[C@H]1C(=O)N1CCCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19463355 FSDMSBUNAOBSQO-XJKCOSOUSA-N 434.487 5.186 0 40 IKAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)c1ccc(Cl)cc1Cl 19927310 NOXAKCFWBYNBTJ-UHFFFAOYSA-N 443.153 5.516 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)c(Br)c1 20144449 ZNMMZTOQNRWNFB-UHFFFAOYSA-N 444.325 5.144 0 40 IKAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)COc1c(C)cc(Cl)cc1Cl 20144541 QLBAPRPHFAGHIJ-UHFFFAOYSA-N 436.291 5.080 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 20490064 DXJPEVAPARSGKX-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Br)cc1 27795552 CIWHZZZIIXUCFC-UHFFFAOYSA-N 428.355 5.401 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3cc(C)cc(C)c3)sc2c1 32118735 OPCIVGGJKVPMIU-UHFFFAOYSA-N 427.595 5.148 0 40 IKAB CC(=O)Nc1ccc(CNC(=O)c2ccccc2CSc2nc3ccccc3o2)cc1 32902953 CABHRUJHXJCXNF-UHFFFAOYSA-N 431.517 5.009 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1OCc1cc(=O)n2ccccc2n1 33268556 GQTIPNPGOUANLX-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB Cc1ccc(-n2ccnc2SCc2nc(-c3ccc(Br)cc3)no2)cc1 33278092 XHKZBJACIVCPHY-UHFFFAOYSA-N 427.327 5.286 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2C)cc1 33389690 LXQDGYBFZAWTQE-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@H]32)C1 36371584 WICQHKDZHVVRAU-IADALHLZSA-N 444.700 6.930 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)c1 37867962 DRVXKGJMXMKWIM-HSZRJFAPSA-N 426.472 5.117 0 40 IKAB Cc1cc(C)n(-c2nc3cc(Cl)c(Cl)cc3nc2NCc2ccc3c(c2)OCO3)n1 39370718 FRHRAYWBYVKBBN-UHFFFAOYSA-N 442.306 5.080 0 40 IKAB Cc1ccc(OCCOc2c(Cl)cc(Cl)cc2/C=C2/SC(=N)NC2=O)c(C)c1 41077995 NOVZFJAKEZMOKL-RQZCQDPDSA-N 437.348 5.207 0 40 IKAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 57316842 UPUOUYLLOGNBFS-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB Clc1ccc2oc(C3CCN(Cc4cn5cc(Br)ccc5n4)CC3)nc2c1 58378377 LUANJVGPMUWKDT-UHFFFAOYSA-N 445.748 5.271 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 59960947 YMMKABHAHAVIKN-ASXFNGKXSA-N 426.025 6.927 0 40 IKAB O=c1c2ccccc2c(-c2cccs2)nn1CN(C1CC1)[C@H]1CCCc2ccccc21 62581117 XIZOYVKVDCZMFS-QHCPKHFHSA-N 427.573 5.625 0 40 IKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 71926952 SDBPPCOIIWRLQA-LJQANCHMSA-N 436.533 5.184 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)N(C)c2nnc(-c3ccccc3)s2)cs1 72307913 RKTDXGRRLIYLOC-OUKQBFOZSA-N 448.573 5.225 0 40 IKAB OC1=C2Nc3ccc(Cl)cc3N=C2O[C@@H]1c1c[nH]c2ccc(COc3ccccc3)cc12 102073905 MUDAETZQJHMTBF-XMMPIXPASA-N 443.890 6.397 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@H](c4ccccc4)[C@@H]2C3(Cl)Cl)cc1OC 103111475 OJWHSJIOGRNFJA-VABKMULXSA-N 427.327 5.927 0 40 IKAB C[C@H](CCN1CCN(CC[C@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C 104043226 ZBJYUIRAFQUXKQ-SIDNZMCZSA-N 436.813 8.317 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCc1ccc(Cl)cc1 106971536 UCQMUEDTJROBAI-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C(NCCCN1CCCc2ccccc21)c1ccc(OCCSc2ccccc2)cc1 219266458 XTWJPHJFLBJYAJ-UHFFFAOYSA-N 446.616 5.430 0 40 IKAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223355313 URBDHPPCOZDVPJ-HHHXNRCGSA-N 428.576 5.162 0 40 IKAB Cc1cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c(Br)c1 224006197 XABRMJADPZJZAO-UHFFFAOYSA-N 436.394 5.480 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)c(C)c3)c2)cc1Cl 224207425 FIOZSYSKTMPUSF-UHFFFAOYSA-N 446.330 6.150 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224215384 QWCBAIFFQZNLTP-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224235397 JZJUEHAKOZZAKY-UHFFFAOYSA-N 431.576 6.775 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc2ccccc12 224302578 ULHAJLZSRMZEPP-UHFFFAOYSA-N 435.882 6.472 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(C(F)(F)F)c1 224886544 QZGCQMUXLFPPLQ-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 224940979 VOALCSBPUUXNHT-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225338454 RSHFOTPTOZVCMQ-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 225582388 ZDFJGQUSCUKAPY-WMZHIEFXSA-N 444.616 5.089 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@@H](C)CC)c(C(=O)OCC)c1 225844763 ZUBIFRMNYCFSTE-FQEVSTJZSA-N 449.632 6.237 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@H]32)C1 253987444 XUGISPSHIFXEHZ-HKRAVYTBSA-N 428.701 7.960 0 40 IKAB C[C@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)COc1c(F)cccc1C(=O)O 257211672 BZWIWQRFXHGHAJ-MRXNPFEDSA-N 441.886 5.346 0 40 IKAB Cc1c(C(=O)N2CC[C@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)[nH]c2ccccc12 257323514 WKOISXRXOQIIOD-KRWDZBQOSA-N 445.588 5.459 0 40 IKAB CC(C)c1ccccc1NC(=O)CN1CCC(c2cccc(Nc3ccc(F)cn3)n2)CC1 257341797 ZMAFOSQCRMBDQG-UHFFFAOYSA-N 447.558 5.301 0 40 IKAB COc1cc(COc2ccc(Br)cc2C(=O)O)ccc1OCc1ccccc1 408540114 NGJJBMZRUOVBCJ-UHFFFAOYSA-N 443.293 5.314 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 408571375 AMQOBZKRRIQDKD-SDNWHVSQSA-N 428.444 5.452 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(CC)cc2)cc(Cl)c1OCc1ccccc1 408571617 BYHRYVRMJXFVAD-UHFFFAOYSA-N 440.008 6.345 0 40 IKAB CCOc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 409117891 XZRNOELHUCRLTN-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3ccccc32)ccc1OCc1ccc(Cl)c(Cl)c1 409121826 WSSQRTDOVKEUMO-WQRHYEAKSA-N 440.326 6.464 0 40 IKAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1[C@H](C)Oc1ccccc1Cl 409163910 ZLGXJHKPPDGEFK-AWEZNQCLSA-N 448.951 5.270 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(C)cc3)c(Br)c2)C1=O 409234893 AGKXVODYIZDKMC-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506603951 QIHFHBVFJAZQGS-MRXNPFEDSA-N 439.770 5.158 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037845997 KQHKDDGQHLLGKY-KRWDZBQOSA-N 437.902 5.559 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccccc2)c(C)c1 648599 BPYVXZKRHYFMTO-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(OCC)c1OCC 651655 DYXAXUGEZCHOIM-UHFFFAOYSA-N 446.503 5.943 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1C 702343 JXHQCWHKXPBVFP-CQSZACIVSA-N 433.986 5.507 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccccc2)c1C 838438 KBNXAGXRZRDYSZ-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc43)c2C1 944107 TWFRQDZRWMFNEJ-KRWDZBQOSA-N 433.573 6.538 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2cccs2)c2ccc(F)cc2)cc1 1376098 SQJXRFZGVONQCA-HSZRJFAPSA-N 436.552 5.643 0 40 IKAB O=C(c1ccccc1)N(C(=S)N(C(=O)c1ccccc1)c1ccccc1)c1ccccc1 1608223 FHZJCAQFHYRULD-UHFFFAOYSA-N 436.536 5.965 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)/C=C/c1ccccc1 1846517 XZIXNIBTOPTOPT-SDNWHVSQSA-N 445.569 5.498 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@](C)(c3ccccc3)CC2(C)C)cc1OC 2071169 QDJZBEWSSRBWBF-MMEGZAERSA-N 441.571 6.239 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Nc1ccccc1 2241826 DFSCPQBEVAPFHB-UHFFFAOYSA-N 428.604 6.892 0 40 IKAB COc1ccc([C@H]2N[C@H](C(=O)O)CS2)cc1COc1c(C)cc(Cl)cc1C(C)C 2260701 YNLQBLLKNVJCCJ-RXVVDRJESA-N 435.973 5.148 0 40 IKAB COc1ccc([C@@H](Nc2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2274850 ASUMFZVKBIBPGG-SANMLTNESA-N 445.455 7.157 0 40 IKAB O=C(N[C@H](CO)C(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 2389288 GTQJPGCIQDBNDB-MUUNZHRXSA-N 449.550 5.718 0 40 IKAB COc1ccc(CNc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)cc1 2694368 NYWSPUOTCIDLLG-UHFFFAOYSA-N 449.436 5.584 0 40 IKAB Cc1ccc(CNc2nc3c(-c4cccc(Br)c4)nnn3c3ccccc23)cc1 2713109 RLSVPSKUHYOONM-UHFFFAOYSA-N 444.336 5.628 0 40 IKAB C[C@@H](CCc1ccco1)N(C)C(=O)c1ccc(COc2ccccc2Br)cc1 2729428 NYPAYGORNDDJRF-KRWDZBQOSA-N 442.353 5.714 0 40 IKAB O=C(Cc1sc(-c2ccc(Cl)cc2)nc1-c1ccccc1)Nc1ccc(F)cc1F 3047512 KZPXTZFULBCGNI-UHFFFAOYSA-N 440.902 6.590 0 40 IKAB Cc1cc(=O)oc2cc(OC(=O)CCN3c4ccccc4Sc4ccccc43)ccc12 3281684 LVDWWUCKFVKRPI-UHFFFAOYSA-N 429.497 5.700 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 3361020 UTEOLCWVHQYTJQ-UHFFFAOYSA-N 449.890 5.595 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@@H]1C=C[C@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846382 GNVGQELMUVQTKO-IIWXGHDZSA-N 446.672 6.577 0 40 IKAB biogenic CC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=C[C@H](OC(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C 4025833 NZDFRHCQINXFLI-FCJSEGOFSA-N 428.613 5.800 0 40 IKAB biogenic O=C(CCC(=O)c1ccc(F)cc1)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 8718868 FHLIDALJARBMGH-RUZDIDTESA-N 438.426 5.279 0 40 IKAB CCOc1cc(C=O)ccc1OCCCSc1nnc(-c2ccc(C)cc2)n1CC 8731811 RZJUEEAPAPKYKY-UHFFFAOYSA-N 425.554 5.046 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)NC[C@@H]4CCCO4)c(C)c3cc2c1-c1ccccc1 8791718 QWJUOUBWSUOISF-IBGZPJMESA-N 445.515 5.051 0 40 IKAB biogenic Cc1cc(OCc2cccc(Oc3ccccc3)c2)c2c(-c3ccccc3)cc(=O)oc2c1 8826509 DFWDDAZFUTWJGN-UHFFFAOYSA-N 434.491 7.140 0 40 IKAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8887247 FBTNQINPZNPNSZ-MUUNZHRXSA-N 434.495 5.157 0 40 IKAB Cc1cccc(C)c1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O 9664593 PHAADNPWVUTLFL-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccccc3OC)n2-c2ccccc2)cc1F 9717088 BWPABWQXRNOZIT-UHFFFAOYSA-N 449.507 5.066 0 40 IKAB Cc1c(Cl)cccc1NC(=N)Nc1nc(CSc2ccc(Cl)cc2)cc(=O)[nH]1 9938553 IOVOKPCGZFAKQF-UHFFFAOYSA-N 434.352 5.136 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1)c1ccc2c(c1)OCO2 10038413 XDAJAZPPFSIXAV-UHFFFAOYSA-N 427.243 5.783 0 40 IKAB Brc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)cc1 10475617 CMCHWIUVQQDZBV-UHFFFAOYSA-N 440.160 5.478 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccc2c(c1)nc1n2CCCCC1 11147779 GRVDDOBRSHVMCW-UHFFFAOYSA-N 436.462 5.267 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2nc(-c3ccc(OC(F)(F)F)cc3)sc2C)cc1 11865765 HBDORQDYXNNNRH-UHFFFAOYSA-N 435.427 5.228 0 40 IKAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1 12436851 ATWDFBNMCMEVHY-UHFFFAOYSA-N 427.511 6.688 0 40 IKAB COc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)(C)C)cc1)=N2 12486113 GDUMNWSFJPYRAP-UHFFFAOYSA-N 443.547 5.444 0 40 IKAB COC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2cc1CC1CCCC1 12635295 LQZYTCFHXPNDOG-UHFFFAOYSA-N 434.561 5.485 0 40 IKAB COc1ccc(-c2csc3ncnc(NC[C@H](c4ccco4)N4CCCCC4)c23)cc1 13095513 HYPPXJZJXADJLG-HXUWFJFHSA-N 434.565 5.599 0 40 IKAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCCC3 13137295 XVKVGECKOOGHTK-UHFFFAOYSA-N 437.590 5.282 0 40 IKAB COc1ccccc1[C@@H](CNc1ncnc2scc(-c3ccccc3)c12)N1CCCC1 13137300 FNKXBWUKFHEBTM-OAQYLSRUSA-N 430.577 5.616 0 40 IKAB COc1ccc(C(=O)Cn2c(C(=O)OC(C)C)cc3c2ccn3-c2ccc(F)cc2)cc1 13565014 GDGCHUMJUWZHIU-UHFFFAOYSA-N 434.467 5.028 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3cc(=O)oc4cc5c(cc34)CCC5)oc3ccccc23)cc1 13625248 VLAANOOQFKOEAX-UHFFFAOYSA-N 435.479 6.256 0 40 IKAB biogenic O=C(Nc1cccc(Cl)c1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13950751 NPIVZXOEUHWMHR-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 14201282 ZTKNZPVVDXBNJK-UHFFFAOYSA-N 432.446 5.214 0 40 IKAB S=c1n(CN2CCc3sccc3[C@@H]2c2ccccc2)nc(-c2ccncc2)n1C1CC1 14241315 WOXOHISIKMRZLQ-QFIPXVFZSA-N 445.617 5.478 0 40 IKAB O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Nc1ccccc1Cc1ccccc1 14356869 BRPMHGYOMUPEJI-UHFFFAOYSA-N 443.572 5.026 0 40 IKAB COc1ccc(-c2n[nH]c(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2)cc1 15277434 FWHKVEYRAKSQIJ-FQEVSTJZSA-N 434.496 5.092 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)c1 15729507 QTKVKDFVZJLJCI-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4F)cc3n2)c(C)c1 16678416 IPCCCZVAINSFLE-UHFFFAOYSA-N 431.515 5.275 0 40 IKAB CC(C)S[C@@H](OC(=O)COc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 16997639 DAGGNEYBJKODSS-GFCCVEGCSA-N 426.576 5.753 0 40 IKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc(OCc2ccccc2)c1 17095195 SSPYUCFHPYDQOX-UHFFFAOYSA-N 426.925 5.054 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Cl)cc1Cl 17095236 XHBOGGNNUMSSKK-ZZXKWVIFSA-N 427.114 7.212 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3c(C)cc(C)cc3s2)cc1Cl 19631367 NHDKBCGXIDUMOR-UHFFFAOYSA-N 440.377 5.355 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4nccc5ccccc45)CC3)c2)cc1 19691073 WFHIRYMAFGIAQK-UHFFFAOYSA-N 437.543 5.634 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cn5cccc(C)c5n4)CC3)c2)cc1 19691140 IGYQOQKRSYJXLB-UHFFFAOYSA-N 440.547 5.042 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2ccc(CO)o2)c1)c1cccc(OCc2ccccc2)c1 20144972 OXPYSFNJSFSYRJ-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CN2CCc3ccccc32)cc1 20450291 XTFKSHALLGXVAS-UHFFFAOYSA-N 436.580 6.653 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(O[C@@H](C)CC)c4)cc3n2)cc1 20610304 IUNGGNSOKFUETB-KRWDZBQOSA-N 430.508 5.249 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 20644720 YQIISFFBIQTPSV-PELRDEGISA-N 449.620 5.003 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)COc4cc(C)c(Cl)c(C)c4)c3)oc2cc1C 21578862 DKIQMQFZSWINAR-UHFFFAOYSA-N 448.950 6.708 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1csc(-c2ccccc2)n1 21785289 WHDLSUWGWXZWHR-UHFFFAOYSA-N 448.569 5.897 0 40 IKAB COc1cc(OC[C@@H]2CN(C)CC[C@H]2c2ccc(F)cc2)ccc1OCc1ccccc1 22059591 GVRONNVSYJRJGV-DHLKQENFSA-N 435.539 5.528 0 40 IKAB in-vitro COc1ccc(CNCc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 22076790 CJTFOGBBNQXLHM-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB Cc1cc(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc(C)c1Cl 22524238 OXXWBVICCOXTQM-UHFFFAOYSA-N 449.978 6.503 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)c(C)c12 22991854 YSWNNNTZOSUJEX-GOSISDBHSA-N 449.576 5.324 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@H]2C2=C1CCC2 26959949 GPPLAZKVPMJOLV-AUSIDOKSSA-N 447.633 6.057 0 40 IKAB CCc1ccc2oc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 28289484 LPILQALLGDAWRN-HSZRJFAPSA-N 446.591 5.220 0 40 IKAB COc1ccc(C(=O)n2c(N)c(C(=O)Nc3ccc(C)c(Cl)c3)c3ccccc32)cc1 28535659 JMFAWEJHTZOLHV-UHFFFAOYSA-N 433.895 5.135 0 40 IKAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4cccnc4)C=C3C)o2)cc1 30883271 YDJNSGAAQGAZCE-LSQMVHIFSA-N 446.595 5.327 0 40 IKAB biogenic,in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)/C(=C\c1cccs1)c1cccs1 33744528 UOWDLPLBZWLOGM-HWDURTDVSA-N 432.607 5.897 0 40 IKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 35189887 FIBOGANLBISBKQ-YBFXNURJSA-N 445.382 5.987 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1C 35189985 QKFOXXQETXRJJU-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(/N=C2\NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1C 35645315 CRKUKOAHJQEZTE-OEAKJJBVSA-N 448.975 6.427 0 40 IKAB O=C1c2ccccc2C(=O)N1c1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 36395200 DDQJMKUZEJHRQX-UHFFFAOYSA-N 448.881 5.085 0 40 IKAB CC[C@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@@H](CC)N(C)CC4)c(OC)cc2CCN1C 36490801 BOXBKGGQZPGMRE-VQTJNVASSA-N 440.584 5.080 0 40 IKAB biogenic Cc1cccc(Cn2c(SCC(=O)Nc3ccc(C)cc3Cl)nc3ccccc32)c1 41076825 MXLPJKMXCHTAGX-UHFFFAOYSA-N 435.980 6.086 0 40 IKAB CCOc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(Cl)cc2)cc1 41104843 HOJRUBPWGDJOMQ-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB C[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 44904941 FAZSAKDALVFMCD-HFJWLAOPSA-N 448.563 5.133 0 40 IKAB COc1cccc([C@H]2CCCN2C(=O)c2sc(COc3ccc(F)cc3)nc2C)c1 48313682 WUUFPHZIWMINRI-HXUWFJFHSA-N 426.513 5.156 0 40 IKAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)Nc1c(Cl)cc(Cl)cc1Cl 58449980 BVIIWGFQQJDDBJ-UHFFFAOYSA-N 433.166 5.061 0 40 IKAB COc1ccccc1NC(=O)C1CCN(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1 58829813 IPCRVMQUIGNDCT-UHFFFAOYSA-N 429.520 5.245 0 40 IKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccnn3C3CCCC3)C[C@H]12 71785096 NDZYXAXWOZOQAQ-FYPOJWHISA-N 434.624 5.884 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1)C1CCCCC1 72215709 CIKQRGSXVBJQNZ-RUZDIDTESA-N 449.639 6.883 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(Cc4ccccc4Cl)n3)C2)cc1 72349880 RHIVHRMVJMCMMQ-NRFANRHFSA-N 447.966 5.304 0 40 IKAB O=C(Nc1ccccc1)C1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)CC1 84549789 SDKAUIGCQYJXOX-UHFFFAOYSA-N 432.593 5.303 0 40 IKAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1cc(Br)ccc1Cl 90613659 QHBFVLWBBHHRLG-INIZCTEOSA-N 442.787 5.237 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2cccc(C)c2C)cc1 113938123 DFTAJOVMELPGOT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB O=C(Nc1ccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)cc1)c1ccccc1 139066750 FGBLBUMURGNXGV-ACKJMCFBSA-N 446.506 5.388 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 222600281 GGPAICZCBMEQKF-MRFFXTKBSA-N 429.376 5.768 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 223020116 HTPSMMBSQMNCLP-BSGTYYGESA-N 429.991 7.027 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223183191 NOFOIEWBRZDMBM-SFHVURJKSA-N 435.568 5.550 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 223983269 KFAYHIWQWXQKAH-QHCPKHFHSA-N 445.003 5.005 0 40 IKAB O=C(NC1CCCCC1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224939833 DZSRQGYDLGGGAF-UHFFFAOYSA-N 425.326 5.834 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C(F)(F)F 225766415 QCZWKOVPHXXEBA-UHFFFAOYSA-N 446.296 6.861 0 40 IKAB COCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1C 225870957 SSQACYNBPNQTDB-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCCN3C(=O)c3ccc4ccccc4n3)o2)c1 257320916 VZGMVLDFUMNWJS-XMMPIXPASA-N 427.504 5.190 0 40 IKAB CC(=O)O[C@@H]1C(=O)CCc2c1ccc1c2CC[C@@]2(C)[C@H]([C@H](C)CC[C@H](C)C(C)C)CC[C@@H]12 257349288 NBPHAHNFMOQFSI-WVTHTGLTSA-N 438.652 6.961 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2c(Cl)cccc2Cl)cc1)N1CCCCCC1 408584645 SNFLTZYDXMJFRC-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(F)cc2)cc1C 408698599 OKTHPDNXHGSLGX-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)cc1 408698971 QMIFOROCSRJTKT-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB O=C1N/C(=C/c2ccc(-c3cccc(Br)c3)o2)C(=O)N1c1cccc(Cl)c1 409066721 PJINSEYYPATRRK-GZTJUZNOSA-N 443.684 5.460 0 40 IKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2ccc(C(=O)O)cc2)c1 409110283 AWOUKYHULSKWBN-UHFFFAOYSA-N 440.337 5.955 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1OCC 409118432 ZSHYXVHJTLSNAB-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB Cc1cc(C)cc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c1 409348791 PKHKLPFHJWPXNE-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 409409641 JCBYECNTSDYXPS-VWLOTQADSA-N 434.561 5.431 0 40 IKAB COc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1Cl 409411010 SFNZLVDMGZOYCT-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CCC1CCCC1 643582336 STFOYNPGAFLQKO-VWLOTQADSA-N 434.624 6.405 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)o2)cc1Cl 976125 ISDHHKZXKYJNJA-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB Cn1nc(C(F)(F)F)c(COC(=O)Nc2ccc(Cl)cc2)c1Oc1ccccc1 1391443 SUNUKPLDPVWFBN-UHFFFAOYSA-N 425.794 5.633 0 40 IKAB Cc1cc(SCC(=O)Nc2ccccc2C)nc(SCc2ccc(Cl)cc2)n1 2074247 BYUCYRGWOACSCG-UHFFFAOYSA-N 429.998 5.770 0 40 IKAB CCCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)sc2c1CCCCC2 2084439 RNZIIOKVDBVOTH-CQSZACIVSA-N 435.973 5.643 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)Nc1c(Cl)nsc1-c1ccccc1Cl 2158623 DYWFDZWAPAJGLE-UHFFFAOYSA-N 433.147 7.068 0 40 IKAB COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1O 2241933 SQUIIQMWVFKZOY-UHFFFAOYSA-N 447.922 5.648 0 40 IKAB biogenic CC(C)CCOC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2251081 CWWHYAKADQEQLM-UHFFFAOYSA-N 443.334 5.666 0 40 IKAB NC(=O)c1ccc(NC(=O)c2oc3ccccc3c2CSc2ccc(Cl)cc2)cc1 2631420 IMXYMMSMMBSDLT-UHFFFAOYSA-N 436.920 5.730 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Sc2ccc(Cl)cc2)cc1 2655178 QEQBOAAGIVABRY-UHFFFAOYSA-N 441.965 5.544 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)O[C@H](C)C(=O)Nc3ccc(Cl)cc3)cc12 2660764 WGOWLVVAZQJACP-CQSZACIVSA-N 439.924 5.233 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N[C@H]1CCCc2ccccc21 3298734 WQNNOLALSMVAKG-QHCPKHFHSA-N 440.568 6.295 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)Oc2ccc(Cl)cc2Cc2ccccc2)c1C 3435240 BTPUKYOOHTXAHB-UHFFFAOYSA-N 441.958 7.510 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1C 6410246 WECNAFQKVPCKGL-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1 8754872 AWSBKEVDYMJHOG-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)c1 8755882 IKQFZFFUAOIHOX-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1ccccc1Oc1ccc(NC(=O)[C@@H](CC(C)C)N2C(=O)c3ccccc3C2=O)cc1 9203008 QWNKXHMLMPHENI-HSZRJFAPSA-N 442.515 5.437 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N[C@H](c1ccccc1)c1cccs1 9208248 OQFGRSODTKKQKB-JOCHJYFZSA-N 446.601 5.204 0 40 IKAB CC(C)c1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 9250402 BZCSBDFGHGVLOD-UHFFFAOYSA-N 448.588 5.748 0 40 IKAB Cc1ccc2c(c1)C1=C([C@H](c3ccc(C(C)C)cc3)O2)[C@@H](c2cccnc2)N2NC=NC2=N1 9293637 HVVUEJNVKJTPPU-FTJBHMTQSA-N 435.531 5.318 0 40 IKAB O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccccc1Oc1ccccc1 9379036 GSLPROVHKWFGMM-UHFFFAOYSA-N 441.487 5.053 0 40 IKAB Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cc4ccccc4oc3=O)nc12 9402544 GKQZSNXPWONJJH-UHFFFAOYSA-N 441.512 5.262 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CSc1nc2ccccc2o1)c1ccccc1 9451696 STMSUXKVJZBVPI-INIZCTEOSA-N 431.517 5.050 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2ccc(Oc3ccccc3)cc2)n1C 9614798 VEANUHBKTMIWTM-UHFFFAOYSA-N 431.517 5.258 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3Br)c2n1 9703566 PQUITFFEARCHBR-UHFFFAOYSA-N 440.124 5.630 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)NC4CC4)c3)sc2c1Cl 9713188 YBXUXGNEEBWGAV-UHFFFAOYSA-N 435.332 5.361 0 40 IKAB Cn1c(S[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nnc1C1CC1 9884063 XXELQBMKZGLIFN-KRWDZBQOSA-N 432.471 5.183 0 40 IKAB O=C(c1cccs1)N(CCCn1ccnc1)c1nc2ccc(Br)cc2s1 10381561 JAZUMLKFJPJXSE-UHFFFAOYSA-N 447.383 5.054 0 40 IKAB CCCOc1c(Cl)cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc1OC 12601518 ITCLXNGZLBOMCS-CTDFXDFQSA-N 439.943 5.391 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3SC[C@@H]2c2ccccc2)nnc1C1CC1 12735121 WQKSUNBTXRBLQA-LJQANCHMSA-N 436.606 5.148 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@H]3c3[nH]c4ccccc4c32)cc1 12884754 KNHKMDWJHCJIQX-IBVKSMDESA-N 438.527 5.438 0 40 IKAB biogenic Cc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)n(C2CCCC2)c1C 13097922 HBQFVILDRDHGOP-RUZDIDTESA-N 429.589 6.813 0 40 IKAB Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)cc1 13226978 LBKGYOFUXFVIRN-UHFFFAOYSA-N 433.577 5.330 0 40 IKAB O=C1OC(c2cccc(Cl)c2)=N/C1=C\c1ccc(OC(=O)c2ccc(Cl)cc2)cc1 13895596 HHACBMUKOGJHEK-NDENLUEZSA-N 438.266 5.557 0 40 IKAB CCCC(=O)Nc1ccc(OCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(C(C)=O)c1 14734978 ZOWKYZHNYXOJRH-KRWDZBQOSA-N 432.520 5.037 0 40 IKAB Cc1ccc2[nH]c(CSc3nnc(COc4ccc(C(C)(C)C)cc4)n3C)cc(=O)c2c1 15865314 GUXWXSNKZXMINO-UHFFFAOYSA-N 448.592 5.134 0 40 IKAB Cc1ccc2nc(-c3ccc(NCc4ccccc4OCc4ccccc4)cc3)sc2c1 16348780 MIRNETJCXBJSGI-UHFFFAOYSA-N 436.580 7.463 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(Cl)cc3Cl)c2C(N)=O)C1 17094342 VOXLNYOJVUOHFN-SNVBAGLBSA-N 425.381 5.557 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccccc4Cl)cc3O)oc2c1 17101753 CEKNOUHSIWWFGD-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)nc2c1 19646196 FRKSTTGLLCPFJT-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB Cc1c(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)oc2ccccc12 19693906 ZQCDKSIFQRALNM-HXUWFJFHSA-N 440.547 5.284 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccs2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 20058906 LPJQVZLAGODLRX-NPMXOYFQSA-N 431.517 5.577 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)c1 20152759 MXIMZATWWBQQLV-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB N=c1oc2c3c4c(cc2cc1C(=O)Nc1cc(Cl)cc(Cl)c1)CCCN4CCC3 20237354 HGGRENONTQIFOX-UHFFFAOYSA-N 428.319 5.170 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 20611022 IMOUQAPFSDUWQK-UHFFFAOYSA-N 427.552 5.444 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(Cl)c2)cc1 21581225 QQQOBGLTRUSYMD-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB Cc1nc(COc2ccc(/C=C/C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 22194841 CXWWTJKIIVKOTG-OPGJMIRHSA-N 444.560 5.107 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc(-c2ccccn2)no1 22461028 LNGYSCAOHDENQF-UHFFFAOYSA-N 441.274 5.123 0 40 IKAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccc(CSc2ccccc2)cc1 23682157 BRKOXQXFTFJQLQ-UHFFFAOYSA-N 437.517 5.035 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)c3ccccc3SCc3cscn3)s2)cc1 24750618 CFLHCSKAVWVQIR-UHFFFAOYSA-N 437.615 6.043 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29749404 SCUDDOBQWWGQFW-MRXNPFEDSA-N 429.505 5.354 0 40 IKAB O=C(NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc2ccccc2c1 32126794 VGGHLNQVZCUGPJ-UHFFFAOYSA-N 432.357 5.883 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(C)c4C)cc3)n2)cc1 32578689 NXQIYPNVEHTNKF-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)c4cc5ccccc5o4)cc3)o2)c1 32753973 GTSATMOZQKIYIY-SFHVURJKSA-N 437.499 6.291 0 40 IKAB COc1ccc(NC(=O)CCC(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1Cl 33326061 ZBLUOJATVFEZGN-QGZVFWFLSA-N 443.956 5.041 0 40 IKAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4cccc(Cl)c4)c3c2=O)cc1 35400619 YLMIZFSWQVRENL-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB Cc1ccc(NC(=O)CSc2ncccc2-c2nc(-c3cccs3)no2)c(Cl)c1 49406966 JFQIYWLMJCMDJC-UHFFFAOYSA-N 442.953 5.553 0 40 IKAB c1coc([C@H]2CC(c3cccs3)=NN2c2nc(-c3ccc4c(c3)OCCO4)cs2)c1 58391756 WGNBFXLKRVXXEV-QGZVFWFLSA-N 435.530 5.592 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3c(Cl)ccc4nsnc34)o2)cc1Cl 59294444 LVQYCVCZIGOUQQ-WEVVVXLNSA-N 430.316 6.218 0 40 IKAB Cc1ccc(Cn2cnc3sc(-c4nc(-c5ccccc5Cl)no4)c(C)c3c2=O)cc1 67260423 WYWHDOXKZBIACU-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB O=c1[nH]c2ccccc2n1C1CCN(Cc2cn(Cc3ccccc3)c3ccccc23)CC1 68605836 LOYPQZORHAMORO-UHFFFAOYSA-N 436.559 5.170 0 40 IKAB CCC(CC)C(=O)N1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)N(C)C)CC1 72345313 MICOGBYLJPKKKR-UHFFFAOYSA-N 434.624 5.338 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 72394581 HPSKMQMFDJTXPS-SFHVURJKSA-N 440.440 5.566 0 40 IKAB Fc1ccc(-c2ccc(Cc3cc(I)ccc3Cl)s2)cn1 72482115 QMWRODWMUFMTIX-UHFFFAOYSA-N 429.685 5.798 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)Cc4ccc(O)cc4)cc3)o2)c1 79100658 UKHJCSCTJVVZFA-GOSISDBHSA-N 427.504 5.121 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102118981 OAYISQICTHPCKE-MVBHDGGJSA-N 442.603 6.027 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN([C@@H](C)CCc4ccccc4)C3=N)n2)cc1OC 102731865 COWGMRQKVADLBA-INIZCTEOSA-N 449.576 5.411 0 40 IKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1CCc1ccc(Cl)cc1Cl 102734488 JQLOWURVFKBEQO-UHFFFAOYSA-N 430.360 5.922 0 40 IKAB CN(C)c1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(C(F)(F)F)c1 103164649 CZIWVRNWFGQZKY-NYYJTOMGSA-N 445.323 5.444 0 40 IKAB C1=C[C@H]2C3C4[C@@H](C=C[C@@H]4[C@H](CCSc4ccccc4)[C@H]13)[C@H]2CCSc1ccccc1 104290838 AYZBXVIUEAERKV-RLHPXMFBSA-N 430.682 7.448 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(F)F 106734110 MJBGHPLDWJYILW-APSNUPSMSA-N 443.830 5.326 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccc(Cl)c(Cl)c4)Oc4ccc(Cl)cc4[C@H]3C2)cc1 106937280 KFXIRDYUFKJWPD-GGAORHGYSA-N 443.761 7.198 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1[C@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 169744796 GSNYNPKRIFCZGN-MUMJTDIISA-N 446.716 5.966 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1Cc1ccccc1 214048120 ADTDGWUDSXNJRB-YBFXNURJSA-N 430.312 6.490 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2C)o1 223072699 DDOXMMLHANGXFB-YADHBBJMSA-N 441.984 5.312 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C 223436867 OCWHPGJHGAAGCS-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 223807199 WYWGSNIJNDPMMC-QFIPXVFZSA-N 445.003 5.059 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(O)cc1 223866979 JFRWJHQLHHJACE-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)c1Cl 224006335 WYHSQQABQISRPZ-UHFFFAOYSA-N 426.388 6.024 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2C)cc1 224012475 NACZDHVCTINPQC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 224470409 FYBSZCICWYHLBK-QFIPXVFZSA-N 449.422 5.432 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(C)c(C)c1 224621033 OCDGCNGPBGKVCG-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCCC[C@H](CC)CNC(=O)CCCN(c1ccccc1-c1ccccc1)S(C)(=O)=O 224902418 ZQOZTUAWUVLFBU-NRFANRHFSA-N 444.641 5.232 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225119921 HOBIDKQMCNKGPS-SFTDATJTSA-N 438.612 5.003 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1ccccc1 225342664 FFNBTKAHPWPJOX-MHZLTWQESA-N 442.603 5.094 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1C 225864034 WISKYVYCAWPWNP-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCCC2)c2ccccc12 225945205 KWLWDHZLKCDVQQ-UHFFFAOYSA-N 431.532 6.054 0 40 IKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2ccc(Br)cc12 253536231 LQSDYTUQGNTVBK-UHFFFAOYSA-N 436.092 6.332 0 40 IKAB CCc1c(CN2CC[C@@H](c3c(C(=O)NC)sc4ccccc34)C2)c2ccccc2n1C 257202648 AMSSARRNGSKDOJ-QGZVFWFLSA-N 431.605 5.305 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)o1 257228720 FUYQFVNAXXXZCW-LJQANCHMSA-N 429.520 5.084 0 40 IKAB CC(C)C(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(Br)c2)C1 257253016 JXGDKKCSZSKIPA-VWPQPMDRSA-N 434.349 5.712 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@@H]2CCc2ccccc2)nc1CCc1cccc(F)c1 257292886 QNIXVYBEMXKWAT-JOCHJYFZSA-N 433.527 5.091 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C(C)C)cc1 408561021 VEZXNUPKGNIKEL-UHFFFAOYSA-N 444.604 5.896 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc(Cl)cc1Cl 408703305 RIMMMQOXGRVDHL-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)c1 408726737 TXDQNXCVDMUBFZ-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@H]1Cc2ccccc2CN1C(=O)OCc1ccccc1 408739366 ZRFLTNLDIJYLOP-RUZDIDTESA-N 428.532 5.512 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)N1C1CCCCC1 409090250 LOKIHUHFVUJVTK-UQQQWYQISA-N 426.516 5.644 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1C 409095397 AYQPKQKFUISOBB-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409130489 IBSASQGLBAPLAB-DEDYPNTBSA-N 431.941 5.416 0 40 IKAB Cc1ccc(OCc2nnc3n2N=C(c2ccc(C)cc2)[C@H](c2ccccc2)S3)cc1 409207324 VGVALPZBELDGNP-DEOSSOPVSA-N 426.545 5.573 0 40 IKAB COCCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409242380 RMXAVBJBHGENGX-FYJGNVAPSA-N 440.952 5.416 0 40 IKAB CC(C)(C(=O)O)N(CCOc1ccccc1)C(=O)OCC1c2ccccc2-c2ccccc21 521396589 FEJRYASTWYCAMG-UHFFFAOYSA-N 445.515 5.180 0 40 IKAB COc1cccc(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)c1 643583053 KZDJTZZIBOHBOT-UHFFFAOYSA-N 445.559 5.549 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cccc2c(Br)cccc12 834929 AFKRCSDKLXIMBV-UHFFFAOYSA-N 442.316 6.398 0 40 IKAB O=C(O)CCSc1nnc(COc2cccc3ccccc23)n1-c1cccc(Cl)c1 924678 JTUPOKDYCLJBPM-UHFFFAOYSA-N 439.924 5.220 0 40 IKAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)CCc1ccccc1 1341159 UETIYBDOHPQDBM-UHFFFAOYSA-N 438.549 5.369 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(Cc2cccs2)C(=O)c2ccco2)o1 1341831 IXCBURHVKWHSQG-OAQYLSRUSA-N 426.538 5.075 0 40 IKAB COc1cccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)c1 1383702 IHCQXHOXJPAASF-NTEUORMPSA-N 438.321 5.689 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(C)cc4)c3)nc2c1 1861053 ITIHSIPKAXEYGT-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c(C)c1 1863912 OXZNZLBDCWNHAO-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 2052134 GFWUQJYTDKCOQO-UHFFFAOYSA-N 436.364 6.195 0 40 IKAB Cc1ccccc1-c1nc(C(=O)NCc2cccc(Cl)c2)cc2c1[nH]c1ccccc12 2113691 PCLCTSDAWRHQSA-UHFFFAOYSA-N 425.919 6.275 0 40 IKAB biogenic CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(C)cc1 2207607 DZPBDMXGLOBEDH-SUYBVONHSA-N 436.536 6.592 0 40 IKAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O 2394304 FDAXHBWIPKRRNE-UHFFFAOYSA-N 442.939 5.591 0 40 IKAB CSc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)N2N=CNC2=N3)cc1 2416031 GNNAYEZQEYDCCG-GOTSBHOMSA-N 444.585 5.583 0 40 IKAB CCSc1nnc2c(n1)O[C@@H](c1ccc(-c3cccc(Cl)c3)o1)Nc1ccccc1-2 2739870 MAXYTZPHCXEJJU-FQEVSTJZSA-N 436.924 6.067 0 40 IKAB CC(C)N(C(C)C)[P@@](=O)(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3203958 YJYRVZWCHXRNGE-QHCPKHFHSA-N 439.578 7.085 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)c3cccc(Br)c3)s2)cc1C 3221289 MODSUFFPHMENCZ-UHFFFAOYSA-N 434.384 5.636 0 40 IKAB COc1ccc2nc(NC(=O)C(=O)c3c(-c4ccccc4)cc4ccccn34)sc2c1 3235344 DUXLCDPDOZSSEU-UHFFFAOYSA-N 427.485 5.046 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(Cl)cc4)cs3)n2)cc1 3766627 JWNYIGANQBUBEZ-UHFFFAOYSA-N 435.858 6.344 0 40 IKAB CN(C)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1 3831947 IEXUMDBQLIVNHZ-YOUGDJEHSA-N 449.635 5.156 0 40 IKAB investigational CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)cc1 4122974 VOKSUVFGMOXFMU-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB CC[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCc3ccccc3)[nH]c(=O)c21 6197576 NEKIJDOCELLVQH-MHZLTWQESA-N 430.617 6.513 0 40 IKAB CCCCCc1ccc([C@]2(O)CC(C(F)(F)F)=NN2C(=O)COc2ccccc2C)cc1 6472294 ZJOYIYRLPJCFJU-HSZRJFAPSA-N 448.485 5.102 0 40 IKAB O=C(CN1CCCCCCC1)N1N=C(c2ccc3ccccc3c2)C[C@H]1c1ccccc1 6530085 VYDILBKREWJQQE-MHZLTWQESA-N 425.576 5.784 0 40 IKAB Cc1ccccc1C(=O)O[C@H]1OC(=O)C(Cl)=C1Nc1ccc(Oc2ccccc2)cc1 8444477 BLEXJRRHKCGDJC-DEOSSOPVSA-N 435.863 5.390 0 40 IKAB Fc1ccc(-n2c(CN3CCCCC3)nnc2SCc2ncc(-c3ccccc3)o2)cc1 8710833 AQMWFOHRDZLFHE-UHFFFAOYSA-N 449.555 5.340 0 40 IKAB Oc1ccccc1/C=C/C1=NN(c2nc(-c3ccc(F)cc3)cs2)[C@@](O)(C(F)(F)F)C1 8753998 DFRINZYZGSOSIV-OSICKASQSA-N 449.429 5.185 0 40 IKAB Cc1c(CC(=O)Nc2cccnc2)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 9060665 ZBNRVFARSPXVNB-UHFFFAOYSA-N 442.446 5.538 0 40 IKAB COc1ccccc1-c1c(-c2ccc(OCc3c(F)cccc3Cl)cc2O)n[nH]c1C 9089034 MWIBKNDNPQAWDP-UHFFFAOYSA-N 438.886 6.138 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]cc3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 9160796 QZHOLHSZPAVYEI-UHFFFAOYSA-N 428.488 5.689 0 40 IKAB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1F 9233995 ANATZMZNKAMVBM-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 9397106 XXMRRDBZMDAOOR-NRFANRHFSA-N 440.385 5.193 0 40 IKAB CCN(CC)CCC[C@H](C)NC(=O)c1cc2c(C)nn(-c3ccc(Cl)cc3)c2s1 9402971 QFOWCZWTGUPCQJ-HNNXBMFYSA-N 433.021 5.289 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2CSc2nnc(C3CC3)n2C2CC2)cc1 9583635 KBFRFYAKCBAGQL-UHFFFAOYSA-N 443.576 5.644 0 40 IKAB Clc1ccccc1-c1nc(CSc2nnc(-c3cccs3)n2C2CC2)cs1 9814718 RCVMYFKLDNVMEH-UHFFFAOYSA-N 431.011 6.411 0 40 IKAB COCCn1c(SCc2ccc(C(=O)Nc3ccccc3)cc2)nnc1-c1ccccc1 9882639 GQVXHXCOXRVLPT-UHFFFAOYSA-N 444.560 5.136 0 40 IKAB COc1cc(C(=O)Nc2cccc3nsnc23)ccc1OCc1ccc(Cl)cc1 10035112 XYIHOIYCWAXXHY-UHFFFAOYSA-N 425.897 5.185 0 40 IKAB O=C(NC1CCCCC1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 10333064 CKBDZDAKCDDXID-UHFFFAOYSA-N 444.600 6.294 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10365394 RKTCRWLSWKWZNL-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCCc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 11691953 RXBQGOUKFRXIHF-UHFFFAOYSA-N 446.558 6.052 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3cc(C)n(C[C@@H]4CCCO4)c3C)c2n1 12531638 UHBZMUNUYAATGA-INIZCTEOSA-N 447.362 5.709 0 40 IKAB CCc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 12848805 HYOJTPLWOVFZPH-LEWJYISDSA-N 442.485 5.378 0 40 IKAB C[C@@H](Oc1ccccc1F)c1nnc(SCCOc2ccc(Br)cc2)o1 13127903 OWMAFKXTKHJMQP-GFCCVEGCSA-N 439.306 5.282 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ncoc1-c1ccc2ccccc2c1 13565459 HGLJWUQYVMVNKV-UHFFFAOYSA-N 433.895 5.237 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13709212 MJVUZXMWSNNIFM-HFESIUDZSA-N 425.572 6.714 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)c(C)c1 13981237 BLEQQFUQNFVIOS-RIYZIHGNSA-N 440.952 5.410 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1 14038514 WPHQQVAZGZSMPZ-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)cc3)cc2)cc1 14397423 VEPOQQPSKVZSGK-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB Cc1cccc(N2CC(=O)N(c3ccccc3F)[C@@H](c3ccc(C(C)C)cc3)C2=O)c1C 15412499 YLDLORDMOIHMKR-SANMLTNESA-N 430.523 5.687 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cccc(OC(=O)/C=C/c4ccco4)c2)N3)C1 15947579 HKTNYGMIOSCSDY-UDWXCEDRSA-N 434.517 5.514 0 40 IKAB CCOc1ccc([C@@H]2CCCN2C(=O)CCC(=O)c2ccc(Br)cc2)cc1 16141543 SPJKJFUROXNAOZ-FQEVSTJZSA-N 430.342 5.174 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)/C=C/c4ccco4)c3)nc2c1 16610938 UZXZGMDYRNUERH-YBHKSSGVSA-N 445.544 6.128 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccccc4o3)c2)cc1 17099270 HEDINXBEBZUIIW-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 17099501 KHJWESLOIHJCOF-UHFFFAOYSA-N 435.480 5.029 0 40 IKAB CCOc1cc(C(=O)Nc2nnc(/C=C/c3ccccc3)s2)cc(OCC)c1OCC 17206855 NPRIGKQOCDWLLI-OUKQBFOZSA-N 439.537 5.157 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Cl)cc1)c1cccc(Cl)c1 17207471 AAOIZBODPSDALF-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB Cc1sc2c([C@H]3CCCN(C(=O)Cc4ccccn4)C3)nc(Nc3ccccc3)n2c1C 19561723 WTGQOVUKHRTUMX-IBGZPJMESA-N 445.592 5.100 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccccc1Br 19639205 PCNIXJGBXGYPDU-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(Br)c1 19639218 ZXVMHWDMNDUZES-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)o4)ccc3o2)cc1OC 20412011 LFZJWNJQWYYIGG-UHFFFAOYSA-N 440.455 6.024 0 40 IKAB Cc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 22076706 SMELQOPUAREMCF-UHFFFAOYSA-N 430.773 6.280 0 40 IKAB Cc1ccccc1-c1ccc(N2CCC[C@H](C(=O)Nc3ccc(Cl)cc3Cl)C2)nn1 22486041 YKWAPPZIKSOZKH-INIZCTEOSA-N 441.362 5.614 0 40 IKAB O=C(CSc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 32693174 MQCONFMZIXWMMO-UHFFFAOYSA-N 446.494 5.426 0 40 IKAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3Cl)sc2c1 33000628 VMLJGJNHPQELJG-UHFFFAOYSA-N 433.986 5.665 0 40 IKAB C[C@@H]1Cc2cc(Br)cc3c(=O)c(C(=O)Nc4cccc5ccccc45)cn1c23 33089202 CAFLFFNDUHAUGJ-CYBMUJFWSA-N 433.305 5.287 0 40 IKAB CSc1ccccc1NC(=O)CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 33623235 BVFOUDKXONTLOC-UHFFFAOYSA-N 440.590 5.089 0 40 IKAB COc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3Cl)SC2=S)c(OC)c1 35040544 ISEQFLNJLURYKW-FRKPEAEDSA-N 426.346 5.416 0 40 IKAB O=C(Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1)c1cccc2ccccc12 35169542 AXOVNIAMIWVRHI-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1nnc(SCc2cccc(Cl)c2)s1 39723893 ITOKPCLKUAWRKY-UHFFFAOYSA-N 426.350 5.398 0 40 IKAB O=C(CCNC(=O)c1cc(-c2ccccc2)nc2ccccc12)Nc1ccc(Cl)cc1 41157457 LXEFTWBUCBXXIW-UHFFFAOYSA-N 429.907 5.314 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 44855327 OAAGBHZUELTVFN-UGKGYDQZSA-N 426.988 5.279 0 40 IKAB CC(C)n1c([C@@H]2CCCN2C(=O)CCCc2nc3ccccc3s2)nc2ccccc21 72306562 QBVCHZVMSZGSIH-NRFANRHFSA-N 432.593 5.913 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc(Oc2ccc(Cl)cc2Cl)cc1 102139161 LXADYUVYYAOLCY-LDJCDLSFSA-N 426.299 5.343 0 40 IKAB CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102726598 YZORGGDPVBBSOO-TZRRMPRUSA-N 446.934 5.262 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)cc1 110213279 VHUAOGPJELPZKF-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C2=O)c1 214610715 YLEARNTTXODMSJ-UDWIEESQSA-N 443.446 6.510 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OC(C)C 214838817 JYZBQDGILXLLRB-BUVRLJJBSA-N 447.556 6.262 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 223140969 FGPNUEWZFRPPBB-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223417741 JQYFZFIQXPLCJP-RPWUZVMVSA-N 434.609 5.262 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(SC)cc2)cc1 223993002 YWHUDVZALFNMJO-UHFFFAOYSA-N 426.563 5.024 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)cn1 224008249 COIYTTWYHKVOTB-LJQANCHMSA-N 440.632 5.788 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1N(C)S(=O)(=O)c1ccccc1 224192861 OJWNFWQELPQSGI-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224193583 JELUVCCNLYLSRY-AREMUKBSSA-N 442.603 5.092 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(Br)cs2)cc1 224389009 SBOOTRZMEBFHOQ-IRXDYDNUSA-N 434.359 5.222 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224402232 ZVWBZGVIOXCQCU-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1OC 224576944 GUSNLBJZYAJBIY-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1CSc1ccc(Cl)cc1 224672234 KMKYHYYNIPIEBC-UHFFFAOYSA-N 447.987 7.437 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c1 225051722 XCTZPFQQROOTAQ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225282189 VLOTZOKIIQLVGH-DLBZAZTESA-N 435.395 5.176 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)c(OC)c1 225340603 YIEMCCLDUVWTII-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225453493 NKGHXPKLOGYVEY-VXKWHMMOSA-N 430.592 5.147 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccccc2Cl)ccc1Br 225606636 LHKQOFXKXCQUIM-UHFFFAOYSA-N 443.863 6.021 0 40 IKAB COc1ccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)cc1 225822366 RMCLAGMVXMJCKY-UHFFFAOYSA-N 431.517 5.468 0 40 IKAB CCOc1ccc(C(=O)c2sc3nc(C(F)(F)F)c4c(c3c2N)CCCC4)cc1F 257173691 VCHAGELRVRJKPE-UHFFFAOYSA-N 438.446 5.545 0 40 IKAB CCOc1ccccc1-c1ccc(C(=O)O)c(CCCOc2cc(C)c(Cl)c(C)c2)n1 257204985 AXDBLBPLSZZVNI-UHFFFAOYSA-N 439.939 6.127 0 40 IKAB Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)C2)n1 257291570 QHOOHVGDGVJMNN-LJQANCHMSA-N 443.526 5.098 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3cccc4ccccc34)cc2)N1c1ccc(Cl)cc1 408557350 MXDLCZKTIYEURI-AREMUKBSSA-N 445.971 6.851 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)c1c(-c2ccccc2)cc2ccccn12 408636694 SYPYWPINIZDULM-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB Cc1cccc(C)c1NC(=O)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408698694 RLKZHEFTYFAIAK-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408907758 QUQMUAAJRFGNQT-NTUHNPAUSA-N 447.343 5.446 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1cccc(Cl)c1 409070133 DPEASIZMVXXQIK-CIAFOILYSA-N 439.298 5.670 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 409213502 PIRSVKXRIYNDJU-JCMHNJIXSA-N 443.540 6.030 0 40 IKAB Cc1cnc(Nc2nc(C3CCN(C(=O)OC(C)(C)C)CC3)cc3cc(F)ccc23)s1 585263253 SLWTXXJPZYCTBB-UHFFFAOYSA-N 442.560 5.997 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cccc(Cl)c2)c1C 872079 OMEYHFGXSCCLLI-UHFFFAOYSA-N 434.926 5.063 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)cc12 874520 AOQFKTMANXCGDF-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2O)cc1Cl 1267244 MEMHDOVIZZTWSV-WOJGMQOQSA-N 441.965 5.921 0 40 IKAB CCOC(=O)COc1cc(NC(=O)c2cccc(C(F)(F)F)c2)c(Cl)cc1Cl 1392318 RZFPUHHILPYXTK-UHFFFAOYSA-N 436.213 5.206 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(OC)cc2)c2ccc(OC(=O)c3ccccc3)cc12 1522204 IUBLIGGHURQOHN-UHFFFAOYSA-N 429.472 5.343 0 40 IKAB CC(C)(C)c1ccc(C(=O)OCCNc2nc(-c3ccccc3)nc3ccccc23)cc1 1912349 UHILHIODUZTQQU-UHFFFAOYSA-N 425.532 5.863 0 40 IKAB O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cccc(C(F)(F)F)c1 2094019 BGHITBIYBUJPJL-UHFFFAOYSA-N 439.389 5.496 0 40 IKAB biogenic Cc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2170670 WDGFANRLWRCQDM-CYBMUJFWSA-N 429.404 6.965 0 40 IKAB CCOc1ccc(-n2nc3c(OCC)nnc(-c4ccccc4)c3c2-c2ccccc2)cc1 2181192 UEEPJHBEUYFZFJ-UHFFFAOYSA-N 436.515 5.947 0 40 IKAB Cc1cccc(NC(=O)c2c(N)n(-c3ccc(Cl)cc3)c3nc4ccccc4nc23)c1 2199376 BBCTVPUGQUDTEM-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)cc1OC 2380707 UWVGIGLDQRUSDR-OAHLLOKOSA-N 436.581 5.098 0 40 IKAB Brc1ccc(CSc2nnc(-c3ccccn3)n2Cc2ccco2)cc1 2396108 LUJCSBDPIKBOMN-UHFFFAOYSA-N 427.327 5.036 0 40 IKAB CCCSc1nc(SCc2ccc(F)cc2)c2c3c(sc2n1)COC(C)(C)C3 2438338 RFGMEDQHOZDDTG-UHFFFAOYSA-N 434.627 6.476 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCCCCC3)c3cc(Br)ccc3n2)cc1 2764050 ANEQGPWXPSADTC-UHFFFAOYSA-N 439.353 5.689 0 40 IKAB CSc1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 2779304 YDTVAJLRYYVRKW-UHFFFAOYSA-N 425.457 5.208 0 40 IKAB Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@H]4CCCC[C@@H]43)o2)c(C(C)C)cc1Cl 2791766 MGPIGUQHHXQDOW-RXVVDRJESA-N 443.971 5.918 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 3041370 WEXOTIGTJXCPAA-UHFFFAOYSA-N 443.664 5.387 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)c3ccc(-c4ccccc4)cc3)s2)cc1 3222000 CWEWRHAQIIKMIG-UHFFFAOYSA-N 433.558 5.932 0 40 IKAB COc1cccc(-n2c(SCC(=O)c3c(C)cc(C)cc3C)nc3ccccc3c2=O)c1 3317236 ORFIPYKYARKIED-UHFFFAOYSA-N 444.556 5.295 0 40 IKAB Cc1cc(OC[C@H](O)CNCCc2ccc(Cl)cc2Cl)c(C(C)C)cc1Cl 3352190 LPUOYVDHRDAYQB-QGZVFWFLSA-N 430.803 5.651 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H](C)Nc3cc(Cl)cc(Cl)c3)ccc21 3359346 MZMJAIHMXPJSHI-AWEZNQCLSA-N 426.347 6.560 0 40 IKAB CCCN1CCN(c2nc(CSc3ccccc3)nc3sc4c(c23)CCCC4)CC1 3411935 RJTAHPCSTMGGCS-UHFFFAOYSA-N 438.666 5.394 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1ccccc1Br 3655376 CFEJJRLDJDNGMQ-UHFFFAOYSA-N 438.252 5.818 0 40 IKAB Cc1ccccc1NC(=O)c1c(NC(=S)Nc2ccccc2)sc2c1CC[C@H](C)C2 3672095 UFZJEVSUXGBQNU-HNNXBMFYSA-N 435.618 6.243 0 40 IKAB CC(C)C1=CC2=CC[C@@H]3[C@@](C)(CCC[C@@]3(C)C(=O)N3C(=O)c4ccccc4C3=O)[C@@H]2CC1 4726885 ZZSCRJSMECRJMK-SFUJYVBYSA-N 431.576 5.944 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)(C)C)cc2)cc1OC 8837880 HHHQUJJJCOQYRW-HOFKKMOUSA-N 442.559 6.244 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(OC)cc4)cc3c2C1 8871869 LNHVGCLCTVXGPH-QGZVFWFLSA-N 441.593 6.092 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)c1ccccc1 9119439 NKEPNLXCBFZGQQ-UHFFFAOYSA-N 448.979 5.402 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc(C3CC3)cc(-c3ccc(Br)cc3)c12 9242393 UHEOEICZFCSBHJ-UHFFFAOYSA-N 449.373 6.416 0 40 IKAB CSc1ccc(-c2c/c(=N\c3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1 9409597 YWHMZAOAQBYLJN-NCELDCMTSA-N 446.622 7.548 0 40 IKAB CCOc1cc(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc(OCC)c1OCC 9446356 TZZYEOSKWPXJDZ-UHFFFAOYSA-N 447.944 5.307 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(CCCC)cc2)c2nc3ccccc3nc12 9471609 PNECVYRHKGNQJF-UHFFFAOYSA-N 444.579 6.236 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)c(C)c1 9569386 LVNGQQDGAGQBMX-UHFFFAOYSA-N 440.590 5.067 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 9582824 KNYYFTRWGDZLTK-UHFFFAOYSA-N 446.463 5.147 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)NCc1cccs1 9632078 LXUUNSBCKAKDEZ-UHFFFAOYSA-N 440.981 5.058 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1cc(C)c(O)c(-c2nc3ccccc3s2)c1 9886317 QNTCFZJZYRIKDO-UHFFFAOYSA-N 449.557 5.113 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cc1 9963737 RTLWLRSSMJEBBM-UHFFFAOYSA-N 428.410 5.148 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(-c3cccnc3)n2C2CC2)c2ccc(C)cc2)cc1 9984741 RRPFBWPJEMWEHP-DEOSSOPVSA-N 440.572 6.008 0 40 IKAB CC(=O)N[C@@H](C)CCc1ccc(-c2csc(-c3ccc(NC(=O)C4CC4)cc3)n2)cc1 11181413 SEGRHWICPDMIFA-INIZCTEOSA-N 433.577 5.283 0 40 IKAB CCCCOc1ccc(C(C)C)cc1S(=O)(=O)N1CCN(c2cccc(C)c2C)CC1 11565898 KNWUFIFROHUOCH-UHFFFAOYSA-N 444.641 5.117 0 40 IKAB Cc1cc(Br)cc(C)c1O[C@H](C)C(=O)Nc1ccc(OC[C@@H]2CCCO2)cc1 12137128 LSPXOCUVNCCXLQ-UZLBHIALSA-N 448.357 5.030 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2F)oc1NCc1ccco1 12419753 YSVNMQYXFWSABV-UHFFFAOYSA-N 432.860 5.172 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)n1Cc1ccccc1 12492888 XJKKRQFSFSYJKQ-HXUWFJFHSA-N 442.588 5.730 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 12568134 OJNMNUYRCCCUCU-MHZLTWQESA-N 443.591 6.032 0 40 IKAB CN(Cc1ccc(Cl)s1)C(=O)/C=C/c1ccc(OCc2cn3ccccc3n2)cc1 12582823 OMUSHHHUEYXPEP-KPKJPENVSA-N 437.952 5.300 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)NC4CC4)c3)c3ccccc3n2)cc1 12682179 INWYNKOVWGWKOJ-UHFFFAOYSA-N 437.499 5.055 0 40 IKAB CCC(=O)Nc1ccc(-c2csc(NC(=O)c3nc(-c4ccccc4)oc3C)n2)cc1 13110034 LFIBLICFYPPTAP-UHFFFAOYSA-N 432.505 5.374 0 40 IKAB Cc1cccc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)n2C2CCCC2)c1C 13562272 UALAKTKLDVXUSL-UHFFFAOYSA-N 440.012 6.666 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2ccccc2)cc1Cl 13583525 IDEGDURXXCQWLU-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 14271267 LEVOOOCUALPLFY-UHFFFAOYSA-N 443.528 5.374 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15588193 SILQSILSCWPSFN-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB C[C@@H]1Sc2ccc(C(=O)Nc3ccc(Cc4nc5ccccc5s4)cc3)cc2NC1=O 16014116 MYMRQEGWITTZGS-AWEZNQCLSA-N 445.569 5.572 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1cccc(OCc2ccccc2)c1 17097398 PPDVTDSFXWBYRZ-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB COc1ccc(-c2nn(Cc3cc(C)ccc3C)c(-c3ccc(OC)cc3)c2Cl)cc1 17098263 ZTZVNKVBNXLSFP-UHFFFAOYSA-N 432.951 6.553 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1Cl 19646561 KUIJGYAGFHQEQH-UHFFFAOYSA-N 447.709 5.642 0 40 IKAB CCc1ccc(CN2CCN(Cc3ccc(OC)c(OCc4ccccc4)c3)CC2)cc1 19889964 JKVZGENFSOSXGD-UHFFFAOYSA-N 430.592 5.154 0 40 IKAB Cc1ccc(-c2nn(-c3cccc(Cl)c3)c3c2cnc2cc(C(F)(F)F)ccc23)cc1 20183484 PWDFUPPYPXASDH-UHFFFAOYSA-N 437.852 7.221 0 40 IKAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3ccccc3)c(C(C)C)nn12 20797899 NQRWNDJAOIKSIV-UHFFFAOYSA-N 439.441 5.494 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)cc(Cl)c4OC)ccc3o2)c1 21579147 BTCRJWUGTFWOLZ-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB O=C(Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21)N1CCCCC1 27697738 QOTFOFVXUMDSHJ-AREMUKBSSA-N 441.600 5.931 0 40 IKAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1NC(=O)c1ccc2ccccc2c1 27921485 OXFVERKVUXGPFO-UHFFFAOYSA-N 434.337 5.716 0 40 IKAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(NC(=O)NCc2ccco2)cc1 27982648 XUABOANPDFIHSM-UHFFFAOYSA-N 434.521 5.172 0 40 IKAB CC(C)Cc1nc(CSc2nnc(-c3ccccc3Cl)n2Cc2ccccc2)no1 30787772 FNRLNIFQKPIPSE-UHFFFAOYSA-N 439.972 5.521 0 40 IKAB CC(C)(C)C(=O)COc1ccc2cc(-c3csc(-c4ccc(F)cc4)n3)c(=O)oc2c1 32102526 IBALYQUJQNNRKH-UHFFFAOYSA-N 437.492 5.717 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1C 33618404 VLLUAPCQXOOSND-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-n2nc(C)c3c(C(=O)Nc4ccc(Cl)cc4Cl)cc(C)nc32)cc1 36616588 RGRAXBUDYKKGFR-UHFFFAOYSA-N 441.318 5.605 0 40 IKAB CCc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639812 BCWYSRJWFIDOTL-UHFFFAOYSA-N 443.894 5.544 0 40 IKAB Cc1ccc(-c2nc(CSc3nccn4nc(-c5ccc(C)cc5C)cc34)c(C)o2)cc1 38651988 GTMSRCDHYLZPRP-UHFFFAOYSA-N 440.572 6.577 0 40 IKAB CSc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)/C=C/c4ccccc4)ccc32)cc1 38682248 PRRGBFZIIWWMRG-GEJZUGHGSA-N 440.524 5.245 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(F)cc3)c2)cc1 44840547 DTLRRMMCCGSKNG-UHFFFAOYSA-N 425.525 5.296 0 40 IKAB CCN(CC)C(=O)Nc1ccc([C@H](C)Nc2ccccc2S(=O)(=O)C(F)(F)F)cc1 84771002 FRKZFGWDUUJMOO-AWEZNQCLSA-N 443.491 5.027 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)N(C)Cc5ccccn5)cc34)cs2)cc1 96154497 WTBVMNBJOHPDOX-UHFFFAOYSA-N 440.528 5.594 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(C(=O)O)c4)o3)C2=O)c(C)c1 96251289 SBNCYUSVWCMMOM-CIAFOILYSA-N 433.485 5.498 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 100892356 WCEDYHUUIUESKE-PWPLQYRGSA-N 436.599 7.359 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)cccc1F 101003522 SSILIVIEHFXVKW-PIYXRGFCSA-N 439.461 5.388 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Br)cc1 106723156 UWFBUWSNLJSFQM-UNOMPAQXSA-N 440.318 5.946 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@@H]1CC[C@@H]2NC[C@H](O)COc1ccccc1 118913078 ULILXULMDVDQAM-RUVLJEIRSA-N 425.657 5.817 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 169744795 VGSSUFQMXBFFTM-PSODCZNOSA-N 448.732 6.190 0 40 IKAB Cc1ccc(CSCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219761819 SISKCHNPNXFNNB-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219767104 MNDTWKQKJYSPKK-UHFFFAOYSA-N 437.923 6.128 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222865952 VOCLROKIZYWNAU-UXHICEINSA-N 431.392 5.562 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222893847 HVWKCPYBLKGGGO-PMACEKPBSA-N 432.376 6.031 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)c(Br)c1 222955819 WEDFWQHERSNXTQ-MRXNPFEDSA-N 430.386 5.708 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1nnc(SCc2ccccc2)s1 223174881 PRIWEYGZDQMYSE-HXUWFJFHSA-N 435.574 5.780 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 223195076 TWZAAXCDCAOSBI-IBGZPJMESA-N 447.044 5.464 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Br)s2)N1Cc1ccccc1 223370386 QEQOUURWBSKWNI-ZWKOTPCHSA-N 430.396 5.078 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3)c2)cc1C 223426701 VLJDFVFIENYULW-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223768979 XRAJEQVHBITZKQ-DNQXCXABSA-N 432.593 5.574 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 223979049 YTBAZFOBCLKEAN-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)c1 224230355 JOQKCADTZYHWSI-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1OC 224248369 BPXHSTHNYDIYOO-INIZCTEOSA-N 425.912 5.427 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224311529 WQQGMBAJPZJWKT-UHFFFAOYSA-N 425.528 6.551 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 224311745 YKUGZFWHEQAICZ-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 224353663 KKFCHQFJJXLMFQ-XMMPIXPASA-N 441.015 5.366 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 224580386 XHHPCBPFODFXAB-RPWUZVMVSA-N 445.519 5.666 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1Cl 225683826 CSXBTVQARRDHDI-GOSISDBHSA-N 448.972 5.114 0 40 IKAB COc1ccc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4)[C@H]3C2)cc1OCc1ccccn1 257325258 WSDNYCHLBSNCTH-GZGNHOFSSA-N 442.559 5.010 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Br)c2)S1 260769365 LTXHGWZFKUHNND-JSNMRZPZSA-N 439.382 5.224 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)cc1 408695404 QKISDDJKGDAHBY-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699393 WPXLHIATMPFHEN-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(Nc1ccccc1Cl)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721018 CNBFKYSDWXFDJZ-CDPNLFKUSA-N 431.919 5.733 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C(=O)N1C1CCCCC1 409085613 CCNPCRWPFIWEPJ-MTJSOVHGSA-N 445.346 5.798 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 409106912 PDROCHHNUBYAQT-BGYRXZFFSA-N 448.636 5.302 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1cccc(Cl)c1C 409109614 ICWXMRQXGIKGRQ-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB O=C(O)c1cnc(N2CCC(Cc3ccccc3)CC2)nc1CCc1ccccc1Cl 585266146 QGGPINUMMFGZBM-UHFFFAOYSA-N 435.955 5.073 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3nccs3)Cc3ccccc32)c1 643563094 MKDHPCWGYLSSTM-UHFFFAOYSA-N 435.593 5.375 0 40 IKAB CC(C)(C)[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C(=O)Oc1ccc(I)cc1 1505840709 SXCNJZUGLYFXKJ-JLSDUUJJSA-N 442.381 6.321 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(OCc3ccccc3)cc2)c(Cl)c1Cl 640031 VBKKYIZGXYSSOS-UHFFFAOYSA-N 438.332 5.382 0 40 IKAB CCc1ccc(NC(=O)c2cnn3c2N[C@@H](c2cccc(OC)c2)C[C@H]3C(F)(F)F)cc1 884019 BNAOLJOYKDZGIQ-UXHICEINSA-N 444.457 5.367 0 40 IKAB COc1ccc(-n2c(C)c(C(C)=O)c3cc(OC(=O)c4cccc(Cl)c4)ccc32)cc1 999190 FVVCYURBRKJNLE-UHFFFAOYSA-N 433.891 6.023 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)o2)cc1OC 1048626 SPCQZFLMOSRBEK-UHFFFAOYSA-N 431.941 5.215 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)c3cccs3)cc12 1366491 WGEBCLIUHRWQLC-UHFFFAOYSA-N 436.964 5.702 0 40 IKAB O=C(Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 1405338 ONXZTQLSJYFECO-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB Cc1cc(C(F)(F)F)c2c(N)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2n1 1438712 NABFEQQEZGEEME-UHFFFAOYSA-N 434.468 5.582 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1CC)CCc1ccccc1-3 1753146 FXPMYXCZAPGUOG-UHFFFAOYSA-N 432.614 6.277 0 40 IKAB Cc1ccc(-c2csc3ncn([C@@H](C)C(=O)OCc4ccccc4Cl)c(=O)c23)cc1 1778436 RIDCLXOZBWYZGL-HNNXBMFYSA-N 438.936 5.391 0 40 IKAB CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc4ccccc4c3)c2c1=O 1971027 ARMHKDSOMWEMEK-UHFFFAOYSA-N 439.540 5.479 0 40 IKAB FC(F)(F)c1ccc(-c2nnc(-c3cnn(-c4ccccc4)c3-c3ccccc3)o2)cc1 2183256 UOKAPOCTXPXCAS-UHFFFAOYSA-N 432.405 6.275 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccn2)cc1 2224771 VLMBOIFAKGPDPN-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB Cc1ccc(-n2c(SCC(=O)O)nc3sc4c(c3c2=O)CC[C@H](C(C)(C)C)C4)cc1 2283167 HNTHZESXVOYZPG-AWEZNQCLSA-N 442.606 5.083 0 40 IKAB C[C@H]1CCCc2sc3nc(SCC(=O)c4ccc(Br)cc4)nc(N)c3c21 2304868 BIKXNMJYYGYMPY-JTQLQIEISA-N 448.411 5.451 0 40 IKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@H](C)C[C@@H](C)C2)sc(C)c1C 2354284 LRFOMTBZDPFEEH-HUUCEWRRSA-N 438.597 5.711 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 2453902 GQBIKBMOQOXEDD-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB O=c1c2ccc(Cl)cc2nc(SCc2cccc3ccccc23)n1Cc1ccccc1 2616693 YAXUEPXCYBLEAY-UHFFFAOYSA-N 442.971 6.544 0 40 IKAB CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 3289758 ZPQKLYOBWSSOGQ-LADGPHEKSA-N 449.934 5.262 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2cccc(C)c2)cc1 3336338 VKWVYZDDVZCFDX-UHFFFAOYSA-N 435.524 5.562 0 40 IKAB O=C1O/C(=C\c2cccc(OCc3ccccc3)c2)C(c2ccccc2)=C1c1ccccc1 3354796 VWZBYPRBTPFSJT-OOAXWGSJSA-N 430.503 6.774 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)Cc3coc4cc5c(cc34)CCC5)n2)cc1 3431223 IUUAMIUHPSTMOW-UHFFFAOYSA-N 431.517 5.185 0 40 IKAB CCCCC[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC 4099982 INXGAHHQCIHNOR-ZHTHUIBPSA-N 443.631 6.897 0 40 IKAB CCCC[C@H](CC)COc1c(C(=O)O)sc(C(=O)O)c1OC[C@@H](CC)CCCC 4727817 ZFDZVPVIEZTUPH-HOTGVXAUSA-N 428.591 6.335 0 40 IKAB Cc1ccc(N2CCN(c3ccc(C)cc3)C2c2ccc(N(C)c3ccccc3)cc2)cc1 8426832 KLYPLVUDUTUYMT-UHFFFAOYSA-N 433.599 7.097 0 40 IKAB CCC[C@H](NC(=O)[C@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 8454309 DFOQZEFZDFHNFZ-LNWBQHBXSA-N 447.255 5.384 0 40 IKAB COc1ccc(Cl)c(N2C[C@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)c1 8915814 WYDWJMQMFJGKSA-LJQANCHMSA-N 445.950 5.576 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2c(C)[nH]c3ccccc23)sc2c1CCC2 8922783 NPWXOTQMVAHVFL-CYBMUJFWSA-N 428.579 5.323 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 8922952 XUUDNFXLZNZJTA-CQSZACIVSA-N 437.956 5.761 0 40 IKAB COc1ccc(OCc2nnc3sc(Cc4ccc(-c5ccccc5)cc4)nn23)cc1 8991429 FDPITFKUWVYSCZ-UHFFFAOYSA-N 428.517 5.031 0 40 IKAB Cc1ccc(-n2nnnc2S[C@H](C)C(=O)Nc2ccccc2-c2ccccc2)c(C)c1 9124857 PSVHIOGYDFYINP-GOSISDBHSA-N 429.549 5.065 0 40 IKAB Clc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9158636 DBYKDXLWCPTVHU-CVDCTZTESA-N 439.298 5.964 0 40 IKAB Cc1cccc(-c2noc(CN(C(=O)C(C)(C)Oc3ccc(Cl)cc3)C(C)C)n2)c1 9227088 IIEQQSGRFAGCTP-UHFFFAOYSA-N 427.932 5.293 0 40 IKAB O=C(c1cccs1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccccc1Cl 9361053 JFQUDQRQNFZVSO-GOSISDBHSA-N 445.769 6.156 0 40 IKAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(I)cc2)cs1 9443892 WQLLZXBCRMUMOE-BQYQJAHWSA-N 438.315 5.128 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3cccc(F)c3)[nH]c2-c2ccccc2)cc1 9512786 YDTWMZURNFOYMQ-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB Cc1ccc(-c2nnc(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)o2)cc1 9513209 UGTPLQNNFOTTQK-JOCHJYFZSA-N 435.574 5.275 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2Cl)c1 9570162 MNQSTOPXPFJNSG-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB COc1ccc(-c2nc(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)cs2)cc1OC 9952186 SERBJVRVLPYVRM-UHFFFAOYSA-N 438.505 5.121 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1)c1ccccc1 10367157 QWDCNSUESRNJFZ-HXUWFJFHSA-N 427.548 5.026 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3cc(OC)c(O)c(OC)c3)no2)cc1 12185646 JFJLXBNHMBIWGW-OAQYLSRUSA-N 438.524 5.190 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 12285220 WHDCWXDYGBQFQI-INEVDKGJSA-N 436.511 5.822 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N[C@@H]3CCCC[C@@H]3C)nc2c1 12533420 DSJLZSYNJKFYHR-YZZKKUAISA-N 434.605 6.086 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc2c1 12706660 SGGFFZQWPOKHCO-UHFFFAOYSA-N 437.971 6.111 0 40 IKAB COc1ccc(-c2cc3ncnc(N4CCC[C@@H]4c4nnc5n4CCCCC5)c3s2)cc1 12881067 VQISUCHPJHOTIW-LJQANCHMSA-N 446.580 5.026 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2c1 13018117 ZZRVFGGMETUBNL-UHFFFAOYSA-N 442.540 5.844 0 40 IKAB CN(Cc1ccccc1)Cn1nc(-c2ccccc2Cl)n(-c2ccccc2F)c1=S 13063492 GKYRUMOIZIEHBV-UHFFFAOYSA-N 438.959 5.952 0 40 IKAB CCc1cc2cc3c(cc2nc1SCC(=O)Nc1ccccc1C(F)(F)F)OCO3 13503612 XWTVVVITHMFBHJ-UHFFFAOYSA-N 434.439 5.276 0 40 IKAB Fc1ccc(-c2nc(-c3ccccc3)c(-c3ccc(Cl)cc3)[nH]2)cc1Br 13532370 LTDHKUBLEOEVAB-UHFFFAOYSA-N 427.704 6.966 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)n1C 13842441 PZXOTDOEXHHDLF-UHFFFAOYSA-N 444.988 5.210 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc2ccccc2c1 15867198 NGNVLVGZPXMAER-UHFFFAOYSA-N 446.557 5.696 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl 16789450 ICKJZEKUULLUGK-UHFFFAOYSA-N 441.343 5.611 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(Cl)c2Cl)c1Cl 17095498 DXPNNEDPMUKNQE-UHFFFAOYSA-N 427.542 6.588 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)c(Cl)c1 17095606 VYLZOALGQZUHFL-UHFFFAOYSA-N 427.662 5.792 0 40 IKAB Fc1ccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 17098305 ILJJEVIIQYZZPE-UHFFFAOYSA-N 433.260 6.990 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(C(=O)Nc2ccccc2)cc1 20103066 ZTAXZNJHIDDNOR-UHFFFAOYSA-N 445.371 6.118 0 40 IKAB Cc1cccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)c1 20448468 GYDZQVPJWCNFHJ-INIZCTEOSA-N 440.952 5.041 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nn12 20609692 FUSISJKKUNEXBF-UHFFFAOYSA-N 449.580 5.120 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2OCc2cc(=O)n3cccc(C)c3n2)c(Cl)c1 21156806 WBBFJVLQEUTDSJ-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 22073937 UNFLCGJHGVVIOL-GWKODMSMSA-N 444.446 7.267 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)Nc1ccc(I)cc1 22237721 SGDHGYFYOQGPIY-UHFFFAOYSA-N 449.317 5.076 0 40 IKAB O=C(Nc1ccccc1)N1CCC(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)CC1 25897487 KYROQKYPANPYNB-DEOSSOPVSA-N 445.588 5.166 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)c3nc4ccccc4s3)cccc2c1=O 26959119 VJHBFERYVLQQAD-UHFFFAOYSA-N 426.497 5.655 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3c(C)c(C)ccc3c2C)N2CCCCCC2)cc1 27662246 FSLHILYNSPIHRR-DEOSSOPVSA-N 434.580 5.714 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)c1cccc(Br)c1 27735036 YJLWXOMYGNZLAU-LBPRGKRZSA-N 435.268 5.192 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 31267308 AKBRJNHADYSRLI-INIZCTEOSA-N 430.863 5.253 0 40 IKAB O=C(NCc1ccc(F)cc1Cl)c1ccccc1OCc1nc(-c2ccccc2)no1 32579166 UZEDFUOPTALRDY-UHFFFAOYSA-N 437.858 5.038 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1NC(=O)CCc1ccc(F)cc1 32736145 CNEMQOZACQAQPC-UHFFFAOYSA-N 446.931 5.160 0 40 IKAB COc1cc(Br)c(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc1O 33530758 AUEHHLZPVUISGH-FLIBITNWSA-N 434.311 5.178 0 40 IKAB Nc1c(-c2nc(-c3ccc(Cl)cc3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 38486792 WSIYBSWXLBQBKK-UHFFFAOYSA-N 445.935 6.086 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 57316908 VSIHFJMJXXNDRI-UHFFFAOYSA-N 425.517 5.335 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)NCc4ccccc4-n4ccnc4C)cc3)o2)c1 58014283 AQGYQZSVWYQBQA-UHFFFAOYSA-N 449.514 5.136 0 40 IKAB O=c1c2ccccc2c(-c2cccs2)nn1CN(C1CC1)[C@@H]1CCCc2ccccc21 62581121 XIZOYVKVDCZMFS-HSZRJFAPSA-N 427.573 5.625 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc2c3c(cccc13)CC2)[C@H](c1ccccc1)C1CCCC1 67194123 IOEOKVOYHXSRMC-JSOSNVBQSA-N 445.606 7.118 0 40 IKAB CC(C)OCCCn1c(SCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 67259142 YJFWYVIAWWUICM-UHFFFAOYSA-N 436.499 5.523 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)cc2Cl)n1Cc1ccc(Cl)cc1 67259591 WUTHWKRPWPKDIQ-UHFFFAOYSA-N 445.346 6.183 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1 72215293 IPAAXWASOIIYNO-KNQAVFIVSA-N 437.584 5.989 0 40 IKAB CCOC1CCN([C@@H](C(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)CC1 72309119 OOZPLCYGLOUGHZ-JOCHJYFZSA-N 439.556 5.130 0 40 IKAB C[C@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 72313256 WLIZSTYYNFWUQP-LJQANCHMSA-N 439.987 5.362 0 40 IKAB COc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 102875810 NQGDHBVPLXMRLW-OAQYLSRUSA-N 444.453 6.050 0 40 IKAB FC1(F)S[C@H]2[C@H](C1(F)F)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 102959914 IOTWKLDMBZIDBV-GLVMWWHPSA-N 430.892 5.792 0 40 IKAB C[C@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 103083289 NQXCIMKMLRBXAC-LXMVLSBBSA-N 446.572 5.341 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1C 219963107 OZRDIUJSOBGOAH-DEOSSOPVSA-N 440.631 6.249 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)c1 222386606 RMZIWZXXJACQRM-UHFFFAOYSA-N 442.625 5.112 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 222881683 JSUNTYPHSAZNSF-RUZDIDTESA-N 430.548 5.018 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1 223320675 XKJDAOVELDKNRZ-VWLOTQADSA-N 448.994 5.049 0 40 IKAB Cc1ccc(C(=O)N[C@H](c2ccccc2C)C(C)C)cc1NS(=O)(=O)c1ccccc1 224046600 AUHKMKIGSHUJSF-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224554742 VMCWDUJMCRGUAP-SFHVURJKSA-N 446.528 5.047 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 224589852 ULIHRUHHVCHSLP-HHHXNRCGSA-N 444.619 5.660 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N(Cc1ccccc1)Cc1ccccc1 224892007 QUODDSAOUJPQNS-UHFFFAOYSA-N 430.935 6.157 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225035806 RJEUSIOWOMINQH-XMMPIXPASA-N 438.637 5.343 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 225161844 KIWXAZKKINVELW-HSZRJFAPSA-N 438.612 5.005 0 40 IKAB COC(=O)c1cc2cc(NC(=S)NC(c3ccccc3)c3ccccc3)ccc2s1 225213852 OYMAJUCHBGZHHD-UHFFFAOYSA-N 432.570 5.764 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1cc(C)cc(C)c1 225218434 AWPUHGQEZHESSM-VWLOTQADSA-N 438.587 5.241 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1cc(Cl)ccc1Cl 225819081 HGKYRTXYXDZUJM-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB O=C(c1cccc(Cn2ccnc2)c1)N1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 257312178 UMTUQZFOPSXIFA-QFIPXVFZSA-N 440.522 5.152 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408574345 LYDRODUEAKBGGD-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB COc1cccc(C(=S)NCCc2ccccc2)c1OCc1c(F)cccc1Cl 408576680 QJBMEVRTOGYVGT-UHFFFAOYSA-N 429.944 5.575 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 408621596 OUIQWWOFIOLTDS-UHFFFAOYSA-N 445.527 6.922 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408636061 KVCZAJUSRPJEOO-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2cccc(Cl)c2C)cc1 408693635 BHAIXCIQXQBMAY-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(C)cc2)cc1 408694026 HJRCEIPVBFPMAV-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 408773061 PNBAIYBCZROUHU-WDONWYDGSA-N 448.544 5.204 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 408828187 DELPXWSOULKJLR-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1Br 408901197 BYXVYOKHSUEUCV-HTMJNSLASA-N 432.339 5.867 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1cccc2ccccc12 409115779 HGBMIZFXOCHTDA-UHFFFAOYSA-N 431.963 7.310 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1cc(-c2ccccc2Cl)nc2ccccc12 409182781 NYLWZCMZHBOJBS-UHFFFAOYSA-N 449.937 7.502 0 40 IKAB CCOc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(OCC)cc3)c(C)s2)cc1 409196772 XPZASRUNNQRPSO-UHFFFAOYSA-N 438.549 5.518 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N(C(C)C)C(C)C)cc1C 409215966 CPJHRFRANJZWPX-UHFFFAOYSA-N 436.625 5.212 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC(=O)c2ccc(OCC)cc2)cc1 683133 JKCIVCUZGUUHLB-UHFFFAOYSA-N 439.895 5.609 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(Cc1cccs1)C(=O)c1cccs1 1333462 ICXWLJWDPLWKOH-FQEVSTJZSA-N 444.647 5.704 0 40 IKAB CCOc1ccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1832737 HYJZPGUAMAAWTO-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB COc1ccc(NC(=O)/C(=C\c2ccccc2)NC(=O)c2ccc(OCC(C)C)cc2)cc1 2090345 AQZIRXULMNTPHH-KOEQRZSOSA-N 444.531 5.140 0 40 IKAB biogenic CCc1ccc(-c2c(C)sc(NC(=O)c3csc4c3CCCC4)c2C(=O)OC)cc1 2106243 KOWSYGKMHGVWOR-UHFFFAOYSA-N 439.602 6.265 0 40 IKAB CCO[P@](=O)(SCC)SCc1nc(OCc2ccc(Cl)cc2Cl)no1 2154316 XGNIXVTVPNSKIZ-HSZRJFAPSA-N 443.314 6.086 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCc4ccc(F)cc4)n12)CC(C)(C)OC3 2230380 DWEXKOYBJIUWDW-UHFFFAOYSA-N 446.598 5.344 0 40 IKAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 2263400 JTCQHBAZHORCTE-ZHRRBRCNSA-N 437.565 5.304 0 40 IKAB CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)s1 2421308 MJZGIHIOGXCUQJ-OAQYLSRUSA-N 445.544 5.389 0 40 IKAB CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)c1 2440264 SARYUVASQNVNNS-SFHVURJKSA-N 438.892 5.051 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1ccc(NC(C)=O)cc1)oc1ccccc12 2640681 SAPMRIJLGBJLJJ-AWEZNQCLSA-N 434.517 5.672 0 40 IKAB O=C1OC(c2cccs2)=N/C1=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12 3216922 QFKPKPPKACJYQD-NKFKGCMQSA-N 446.531 6.704 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cn(-c2ccccc2)nc1-c1cccs1 3291888 WOCUCVHNALIGSY-UHFFFAOYSA-N 437.524 6.645 0 40 IKAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 3327612 FZWVDFCZICEETR-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)[C@@H](C)SC2=N1 3636614 CWSONHBODQDMAZ-VGSWGCGISA-N 434.561 5.202 0 40 IKAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(CCCc3ccccc3)c3ccccc32)cc1 4784319 JCMHWJZABAYRTG-MUUNZHRXSA-N 427.544 5.250 0 40 IKAB CC[C@H]1[C@H](C)[C@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4794711 NTPVNNGNFGYPRG-OICBGKIFSA-N 426.604 7.212 0 40 IKAB Oc1ccccc1[C@H]1C=C(c2ccccc2)NC(N2CCCCC2)=C1c1nc2ccccc2[nH]1 8651818 XECDJUHIUDDYCD-JOCHJYFZSA-N 448.570 5.851 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)NC45CC6CC(CC(C6)C4)C5)sc3n2)c1 8733724 ATQNIWFXBFFZTK-UHFFFAOYSA-N 433.577 5.253 0 40 IKAB CSc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 8758199 CPGIKWLVWPCZCN-IBGZPJMESA-N 443.572 5.358 0 40 IKAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810210 YKAZDIMEAIBMGT-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1 8904152 CXBRCSIEPAEUIK-UHFFFAOYSA-N 438.593 5.600 0 40 IKAB Fc1ccc(/C=C/C2=NN(c3ccc(Cl)c(Cl)c3)[C@H](c3ccc(F)cc3)C2)cc1 8927045 NUICWGROJAHSBE-NVFKUSHMSA-N 429.297 7.292 0 40 IKAB Cc1nc2nc(SCC(=O)c3ccc(-c4ccccc4)cc3)[nH]c2cc1Br 9088935 DBUZLPDFJVBUFY-UHFFFAOYSA-N 438.350 5.671 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9242806 OWQLACCSFFJTCY-JOCHJYFZSA-N 430.891 5.204 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2C)cc1 9250244 QRTKGONISNKJTL-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB Cc1ccc(C(=O)COC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(Cl)cc2)cc1 9371639 WVBNZRGIIBRSPR-JOCHJYFZSA-N 435.907 5.128 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(/C=C/c3cccs3)oc2NCc2cccnc2)cc1 9409671 KFLDUCRBYOGIBE-DHZHZOJOSA-N 437.546 5.055 0 40 IKAB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3-c3nc4ccccc4n32)cc1OC 9461168 QUZMOJDAECAYKO-LJAQVGFWSA-N 447.538 6.288 0 40 IKAB Cc1noc(C)c1COc1ccc([C@H]2Nc3ccccc3C(=O)N2Cc2ccco2)cc1 9730924 CZMZDPNMABJPEX-DEOSSOPVSA-N 429.476 5.230 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(Cl)c(C)c4)cc3)oc2cc1C 10120449 VCWSIWZJPHIJPB-UHFFFAOYSA-N 434.923 5.769 0 40 IKAB Cc1cc(-c2cc(C(=O)OCc3nc4ccccc4o3)c3cnn(C(C)C)c3n2)c(C)o1 10956185 RUKDKDWWRSDYRI-UHFFFAOYSA-N 430.464 5.387 0 40 IKAB c1ccc(-n2c(Sc3nc(-c4cccnc4)nc4ccccc34)nnc2-c2ccco2)cc1 12639051 RMHWPMSFPKDRDK-UHFFFAOYSA-N 448.511 5.684 0 40 IKAB CC(=O)Nc1ccc(SC[C@@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)cc1 13013140 QPXMFFUDMUPCJM-QFIPXVFZSA-N 443.515 5.182 0 40 IKAB c1ccc(-c2nc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)cs2)cc1 13096983 NNTSDITWMCCGCP-UHFFFAOYSA-N 430.558 6.002 0 40 IKAB C[C@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 13526785 NEKMBZQNMLHGLG-MBBDBFLNSA-N 445.632 5.839 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)cc1 13554612 XRHCVJZVEDCBGW-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB COc1c(C)cccc1C(=O)Nc1cc(-c2nc3cc(C(C)C)ccc3o2)ccc1Cl 13946097 VZVWASYZCGGREO-UHFFFAOYSA-N 434.923 6.841 0 40 IKAB COc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl 14270846 SGYSDUUQLOBSIC-UHFFFAOYSA-N 449.985 5.120 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cc(NC(=O)CCC)ccc2Cl)cc1 14831540 HHJYCPFZUIYGIX-UHFFFAOYSA-N 447.988 5.384 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCc1nc2ccccc2n1C(F)F 14901778 MIQHHAYUHNOHEV-UHFFFAOYSA-N 434.805 5.075 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 15276794 ZTLJJZNAUGSGOF-UHFFFAOYSA-N 440.465 6.508 0 40 IKAB C/C(=C\c1ccccc1)[C@@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1F 15412858 XFGMPIODKJCJNQ-IWCMWKPHSA-N 428.507 5.294 0 40 IKAB COc1ccc(C(=O)C[C@@H](Nc2cccc(Cl)c2)c2ccc(Br)cc2)cc1 16216202 SIFSLADLZGYULJ-OAQYLSRUSA-N 444.756 6.537 0 40 IKAB Cc1cc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1C 17099429 BTLBAARUMPLUIV-UHFFFAOYSA-N 435.332 5.703 0 40 IKAB CN(Cc1cccc(Cl)c1Cl)C(=O)Cn1c(-c2cscn2)nc2ccccc21 17917129 JEPNRTSXXRYJPJ-UHFFFAOYSA-N 431.348 5.125 0 40 IKAB CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 18128916 ZVBJMQNTKVGGNM-PVHODMMVSA-N 448.522 5.453 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2ccc(OCC)cc2)n1 19525547 HXDYSZPHOCBCRI-XMMPIXPASA-N 444.579 5.186 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1sc2ccccc2c1Cl 19639669 YOMAQEIFTGCJNW-UHFFFAOYSA-N 444.025 5.667 0 40 IKAB COc1c2c(cc3c1[C@@H](CC(=O)c1ccc(/C=C/c4ccccc4)cc1)N(C)CC3)OCO2 20412092 VLOBZNQQGKVOCU-UPWIVDSGSA-N 441.527 5.396 0 40 IKAB biogenic CCCCCSc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20464020 QMDYRIRMMXRQIJ-UHFFFAOYSA-N 442.654 5.973 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(C)(C)C)cc3s2)c(C)c1 20895019 UIERNVHOAZJARG-UHFFFAOYSA-N 427.595 5.629 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1Cl 21578567 DVUHXDTWKUAHRH-UHFFFAOYSA-N 434.923 6.724 0 40 IKAB O=c1c2ccccc2nc(SCc2nc3ccccc3o2)n1Cc1ccccc1Cl 32560261 WUXVMTMOBMDAHP-UHFFFAOYSA-N 433.920 5.532 0 40 IKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccc(C(=O)O)cc1 33659204 DXPTVBANTKBKPX-SXGWCWSVSA-N 449.937 5.345 0 40 IKAB Cc1cccnc1NC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2F)C12CCCCC2 36358019 VZEYXXIRHMESLQ-QHCPKHFHSA-N 443.522 5.615 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1 46891404 YALJPFVRCGQXAJ-RYUDHWBXSA-N 425.278 5.149 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 57303656 DHSBRFCZZNBNKU-HHHXNRCGSA-N 438.575 5.326 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCc2nc(-c3ccc(F)cc3)sc2C1 72391987 LHPJHTJMBMVXCU-UHFFFAOYSA-N 428.532 5.666 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(CO)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 77293565 ZUYKAEVLUWUNMD-PPISAJTKSA-N 444.700 6.932 0 40 IKAB in-vitro O=C(NCCC1=CCCCC1)[C@@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344395 CXZXMTSNXRJCSM-VWLOTQADSA-N 446.591 5.729 0 40 IKAB O=S(=O)(Nc1cc(Cl)cc(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 98072884 ZOWKAPRVUODBDK-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)on1 100743810 FLMNBZJOWFZJGV-JAXLGGSGSA-N 446.595 5.757 0 40 IKAB COc1cccc2cc(-c3nc(-c4ccccc4Cl)c4cc(Cl)ccc4n3)c(=O)oc12 142571280 QSRCJYWTLVMPDV-UHFFFAOYSA-N 449.293 6.386 0 40 IKAB CN(CCNC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1)c1ccccc1 219962775 LTSGDUSKSYVLPH-UHFFFAOYSA-N 441.619 5.008 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222894617 WTEMCKFANLCLME-WOJBJXKFSA-N 432.376 6.031 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 223314171 WLXHMTARLDNJQJ-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 223610900 IKCAMOZXLVRQGE-QHCPKHFHSA-N 426.626 5.201 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)COc1ccc2ccccc2c1Br 223781263 BIRPQGKFNZDQRI-UHFFFAOYSA-N 442.353 5.300 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223825887 CATOOWRQMFEEOY-RPBOFIJWSA-N 440.572 5.448 0 40 IKAB Cc1cc(C(=O)N[C@H](C)c2ccccc2C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224008376 QJYUNTAHWHUCKY-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224374610 KOFXVWGLMRTEJT-IZZNHLLZSA-N 444.648 6.689 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 224381592 NOVDTFJZQNTNLS-UHFFFAOYSA-N 449.616 5.964 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccccc3)o2)cc1 224410943 YFJKQMHWQIKOSB-DHIUTWEWSA-N 447.560 6.142 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccc(Cl)cc1 224497277 CXHBLBSOGAWTLB-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1cc(C)cc(C)c1 224534016 JPHLUWNKHNKSOB-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 224936098 XMAIWJGXKDOCNE-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225125211 XVFVBXRLAVNUSJ-XMMPIXPASA-N 438.612 5.005 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2cccc(Cl)c2)cc1Cl 225300511 AXFVJFQIKMRSIY-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225306710 MPANMCLDJAHJJQ-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 225555812 AWVYLIBIUYNJLX-HNNXBMFYSA-N 439.408 5.027 0 40 IKAB Cc1cc(C(=O)N2CCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)c2c(C)noc2n1 257199920 ABGVQQREPRAPMK-LJQANCHMSA-N 436.899 5.049 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)c1 408698345 MPISXKQWJLJHSI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409062423 UQODYVNJFMQPRY-ODLFYWEKSA-N 436.360 6.409 0 40 IKAB Cc1ccccc1OCc1nnc(SCC(=O)N(C2CCCCC2)C2CCCCC2)o1 409169245 OZAINUIHYHFAPX-UHFFFAOYSA-N 443.613 5.543 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)c1 409173280 IDAVORCCLXPNCY-UHFFFAOYSA-N 442.560 5.004 0 40 IKAB CC(C)[C@H]1CC2(CCN(C3CCN(C(C)C)CC3)CC2)CO[C@@H]1c1cccc(Cl)c1 1615155085 OBLIAGLYOAZNRB-JWQCQUIFSA-N 433.080 6.029 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(F)cc3)c2c1 648695 DOTPVAMNYJCJDT-UHFFFAOYSA-N 433.508 5.565 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 702335 HGULZIZJVDBRTI-YPMHNXCESA-N 432.373 5.499 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccccc3)cc2c1 1327173 VQPFZHWMJYQXGP-UHFFFAOYSA-N 425.532 5.367 0 40 IKAB Cn1cc(C(=O)c2ccc(Cl)cc2Cl)cc1-c1nnc(COc2ccccc2)o1 1387907 NFBWJXWVFFKFLY-UHFFFAOYSA-N 428.275 5.192 0 40 IKAB aggregator CCOC(=O)c1c(NC(=O)COc2ccc(C)cc2C(C)(C)C)sc2c1CCCC2 1781101 UVHZYKZHKXNPTF-UHFFFAOYSA-N 429.582 5.427 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1 1859683 VLJQSZUEKTUVQS-JXMROGBWSA-N 439.298 6.462 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc(C)c1CC 2084331 VFEMHCUWZMALCS-OAQYLSRUSA-N 439.602 6.268 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cccnc1Cl 2225213 GMSDGLWCQNSHFT-UHFFFAOYSA-N 434.735 6.571 0 40 IKAB CCCCCOC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2235314 MIXPMTOIOBUELB-UHFFFAOYSA-N 442.441 5.522 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cccc3ncccc23)cc1 2268118 ZOVRFYHQTKAJRA-UHFFFAOYSA-N 441.516 5.031 0 40 IKAB COC(=O)c1sc(-c2ccc(C(C)(C)C)cc2)cc1NC(=O)C(Cl)=C(Cl)Cl 2388148 YGUZXGFWEDCSGS-UHFFFAOYSA-N 446.783 6.323 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)cc1F 2422220 NZHUOQQDWUNJME-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB CCOc1cc(-c2nc(-c3ccc(Br)cc3)no2)cc(OCC)c1OCC 2497419 CXFFCXJBMAKWLF-UHFFFAOYSA-N 433.302 5.362 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ncc(Cc3ccc(Cl)c(Cl)c3)s2)cc1 2671138 ZXRATWOBRXLVJX-HNNXBMFYSA-N 447.431 6.981 0 40 IKAB O=C(Nc1cc(Sc2ccccc2)cc(Sc2ccccc2)c1)c1cccc(F)c1F 2843092 AOMTXNQTVKBFHD-UHFFFAOYSA-N 449.547 7.520 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 3177901 MXVVENAVYVWACN-UHFFFAOYSA-N 431.542 6.224 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1C 3267357 RNMPBMWMYBHZGM-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1nn(Cc2ccccc2)c2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc12 3327487 ZOMGOTHSKFNVJA-UHFFFAOYSA-N 445.569 5.935 0 40 IKAB Cc1nc(Oc2ccc3cc(Br)ccc3c2)c2c3c(sc2n1)C[C@H](C)CC3 3340701 HZGWMHOAHJTQGP-GFCCVEGCSA-N 439.378 6.833 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc(C2CCCCC2)n(-c2ccccc2)n1 3383398 SHJAWHPJZZWNNY-UHFFFAOYSA-N 435.593 6.209 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(Cl)cc3)N2C1=O 3636813 RZVNHLSMKJNGHO-AZUAARDMSA-N 440.952 5.122 0 40 IKAB COc1ccc(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]32)cc1 4043711 SZCUAQITTPFEBX-FPNNDXFKSA-N 434.624 6.651 0 40 IKAB biogenic Cc1ccc(N2C(=O)C[C@]2(C(=O)Nc2c(C)cccc2C)c2ccc(C(C)C)cc2)cc1 5482953 IKVRLICKADIBNH-MUUNZHRXSA-N 426.560 6.006 0 40 IKAB O=c1c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2ncn1-c1ccccn1 8386938 FJZUIXZJNXGWPK-UHFFFAOYSA-N 438.537 5.786 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccco1 8774940 ULBXBEUOPNDXDN-OAQYLSRUSA-N 425.488 5.184 0 40 IKAB COc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccccc3F)C2)cc1 8843081 IDHVBTBLDQOBHL-JOCHJYFZSA-N 425.301 5.953 0 40 IKAB O=C(COC(=O)c1oc2ccccc2c1CSC1=NCCS1)c1ccc(Cl)cc1 8849667 MEWPYOOXSDMCPV-UHFFFAOYSA-N 445.949 5.462 0 40 IKAB CCCCC1CCC(C(=O)Nc2nonc2-c2ccc(OCCC)c(OCCC)c2)CC1 8867920 DPQFRZKOYOYTPH-UHFFFAOYSA-N 443.588 6.249 0 40 IKAB CCCCCOc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)cc1OCC 8918093 CDPOBZIMHLARGH-VHRAYMLOSA-N 434.580 5.291 0 40 IKAB biogenic CCN1CCN(c2c(Cl)cccc2NC(=O)c2cccc(OCc3ccccc3)c2)CC1 9289083 KZGFSZFZAKMEJP-UHFFFAOYSA-N 449.982 5.313 0 40 IKAB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccc(Br)o1 9413970 JCBOFLBZXSPSNM-UHFFFAOYSA-N 443.228 5.432 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)Cn1nc(C)nc1C 9601137 VTUGOIMHSNBGQE-DEOSSOPVSA-N 436.559 5.553 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc3ccccc3c2)sc2c1CC(C)(C)NC2(C)C 9639877 UUCKPPHXXHFGKM-UHFFFAOYSA-N 436.577 5.490 0 40 IKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 9660239 MLNYINZFXGLCGV-UHFFFAOYSA-N 441.527 6.409 0 40 IKAB biogenic Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 9663862 FYWVBYYBAZRFID-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 10187583 GHCUJVYIKOWUAQ-UHFFFAOYSA-N 448.342 5.501 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccccc4F)ccc3oc2=O)cc1OC 11866202 HUZTVBLOUFEMTQ-UHFFFAOYSA-N 434.419 5.144 0 40 IKAB biogenic C[C@@H]1S[C@@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2ccccc2)C1=O 12416980 SLPJSAAXEJANRA-FYSMJZIKSA-N 434.948 5.208 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 12585105 FPROOMURPHBCEE-UHFFFAOYSA-N 449.001 5.600 0 40 IKAB C[C@H]1CCCN(C(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc23)C1 12646014 AGDHXIGAYZDKRC-BALBBAFXSA-N 435.637 5.448 0 40 IKAB O=C(c1cc(Cl)nc2ccccc12)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 12950794 RJJVBTRFPJRRQR-UHFFFAOYSA-N 439.302 5.396 0 40 IKAB CCOC(=O)c1oc2ccccc2c1COC(=O)c1cccnc1Sc1ccccc1 13098542 ZKVZVMAXKWYPDK-UHFFFAOYSA-N 433.485 5.513 0 40 IKAB C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 13100898 YVMWNDCPJMVOFO-WOJBJXKFSA-N 448.636 5.493 0 40 IKAB CCOc1ccc(CCNC(=O)COc2ccc3oc4ccccc4c3c2)cc1OCC 13135380 UOCWJQJENVAGCR-UHFFFAOYSA-N 433.504 5.121 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)c(C)c1 13388671 GWVMWCCPBCXWAR-UHFFFAOYSA-N 427.573 6.261 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@@H](c3cccs3)C2)cc1 13655686 FDSBLRARTRFCST-JOCHJYFZSA-N 431.586 6.544 0 40 IKAB O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl 14186309 NPFUCZMQBDWSGJ-UHFFFAOYSA-N 445.220 5.512 0 40 IKAB CCCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1 14649209 FOTCXDDMLYPLIC-UHFFFAOYSA-N 427.136 5.643 0 40 IKAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)N[C@@H](c1ccccc1)c1cccs1 14670851 OFAYBEXHISKISS-IGKIAQTJSA-N 426.585 5.527 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cccc2ccccc12 17101487 IAHJUCBUPCOMAM-UHFFFAOYSA-N 437.524 5.453 0 40 IKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(Cl)cc3)n2)cc1Br 17195274 CBPCCSLCWNJANC-RUDMXATFSA-N 449.757 5.887 0 40 IKAB COc1ccc(OC)c(NC(=O)NCC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 18181127 XNURUAAZYNOJRH-YDXVBCDDSA-N 434.580 5.672 0 40 IKAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 19292953 ZOYQVSXIJAZJGK-JTAQYXEDSA-N 430.564 5.033 0 40 IKAB COc1ccc(CN2CCCCC[C@H]2c2cc(-c3cccs3)on2)c(OC)c1OC 19552777 PWNMYQPVBJLJHS-SFHVURJKSA-N 428.554 5.546 0 40 IKAB Cc1nn(-c2ccccn2)c2nc([C@@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 19742424 KDACQCQSHMSZCE-QFIPXVFZSA-N 445.954 5.074 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)sc2c1 20411528 YJBMHAXLMVPRED-UHFFFAOYSA-N 446.956 5.703 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 20490066 DXJPEVAPARSGKX-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CCCN1CCc2c(sc3nc(SCc4ccc(Cl)c(Cl)c4)nc(N)c23)C1 20840713 JGFJXKFDPCIUDW-UHFFFAOYSA-N 439.437 5.641 0 40 IKAB CCCN1C(=O)[C@@H](Cc2nc3ccccc3c(=O)n2-c2cccc(C)c2)c2cc(C)ccc21 20868406 VUOHDNZAZMKSPQ-QHCPKHFHSA-N 437.543 5.085 0 40 IKAB COc1ccc(-c2nc3c4c(C)c(C)n(-c5ccccc5Cl)c4ncn3n2)cc1OC 21801790 HAJDLMIHWNAIPS-UHFFFAOYSA-N 433.899 5.023 0 40 IKAB CN1CCc2nc3ccccc3c(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)c2C1 23983717 YNEOHEUAPCGKDK-MHZLTWQESA-N 436.511 5.004 0 40 IKAB CCOC(=O)CC1CCN(C(=O)c2cc(-c3ccc(C)cc3C)nc3ccccc23)CC1 24745550 MHNSCHAJVLAEGC-UHFFFAOYSA-N 430.548 5.324 0 40 IKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24831361 BXIHZWJRHPBXOH-ILBGXUMGSA-N 440.499 5.070 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccccc12 27794276 IQXJUASVLCNHFW-FQEVSTJZSA-N 428.919 6.438 0 40 IKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2cccc(C)c2C)cc1 28288735 YSABQCXHJWJCEJ-MHZLTWQESA-N 428.532 5.420 0 40 IKAB O=C(OCc1ccc(Br)cc1)c1ccc(COc2ccc3ccccc3c2)o1 28578655 DRPQNJYJGHJKGA-UHFFFAOYSA-N 437.289 6.131 0 40 IKAB O=C(NCc1ccc(F)c(Cl)c1)c1ccccc1OCc1nc(-c2ccccc2)no1 32579165 KJOSUOIJSSBMMJ-UHFFFAOYSA-N 437.858 5.038 0 40 IKAB CCOc1cc(/C=C2/SC(=S)N=C2O)ccc1OCc1ccc(C(C)(C)C)cc1 33421087 CBPKMHTUUJZCCF-DEDYPNTBSA-N 427.591 6.291 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)c3)nc2c1 33458824 AUNRQRXQYWYXIV-UHFFFAOYSA-N 436.511 7.241 0 40 IKAB O=C(O)CC/C(=C/c1cc2c(cc1Br)OCO2)c1nc2ccccc2s1 33530803 PJQBNXYFRCQXOF-XFFZJAGNSA-N 432.295 5.193 0 40 IKAB COc1ccc(-c2cc(C(F)F)nc(N3CCC(Cc4ccccc4)CC3)n2)cc1OC 36613933 JIAZYVVYVMVAIR-UHFFFAOYSA-N 439.506 5.558 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849806 QQHGDFMKRCLOKX-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 49491401 OWWJBLFFXMNZIS-UHFFFAOYSA-N 425.872 5.179 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccccc1-c1ncc(-c2ccccc2)o1 61431190 NPLIYPRFFQICPH-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB Cc1cc(C)cc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c1 64787819 LVKAZVWSJOAISU-UHFFFAOYSA-N 431.536 5.378 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccc(C)cn2)cc1 67294732 FTBBXNBNNOPDHG-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB O=C(Cc1ccccc1F)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 100219434 WWCRTVBCFZUGHK-IZAXUBKRSA-N 444.510 5.057 0 40 IKAB CCCOc1ccccc1[C@@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CC 100425590 CPGIDKYJMVXFQG-AREMUKBSSA-N 432.564 6.678 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)c1ccccc1 101191546 BJGAFGXADZUOAB-RRQGHBQHSA-N 448.876 5.688 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1 210200999 GZLRNDAXGNYSJL-HYARGMPZSA-N 435.932 6.468 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 223073905 MUOIJBNZBHBLAS-VXKWHMMOSA-N 441.984 5.312 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c1 223839648 CVVHHZLEWBWZGZ-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223859419 BHLHPGOAARXGIO-IBGZPJMESA-N 441.015 5.311 0 40 IKAB O=C(NCCC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223979266 YRXGBUPAVSVVCQ-UHFFFAOYSA-N 434.989 5.231 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223979847 SBQCPOUSAZGBGB-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3nnc(SCc4ccccc4)s3)cc2)CC1 223999490 XQJQWQXZAJETMF-UHFFFAOYSA-N 438.622 5.315 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224005948 HXBWYUGRQVBBHS-RUZDIDTESA-N 448.994 5.049 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)cc1 224194410 XBEBKFKQHAEEEA-VXKWHMMOSA-N 445.617 5.431 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224210266 DHXAQLJQMYWJOA-IBGZPJMESA-N 447.044 5.320 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccccc2CC)S(C)(=O)=O)cc1 224662523 SGLDSPVCLCEGBA-FQEVSTJZSA-N 444.641 5.161 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225091748 SCIVPJSZVYVJHP-SJORKVTESA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225131582 HLIHJOXXLJDISX-QHCPKHFHSA-N 438.612 5.005 0 40 IKAB Cc1cccc(CC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCCC2)c1 225150483 IEGUEZDPOOEWAV-LJQANCHMSA-N 426.988 5.057 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1ccc(-c2ccsc2)cc1 225616414 RCQOTQLRERKCAL-UHFFFAOYSA-N 444.581 5.927 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1sc(-c2cccnc2)nc1C 226094469 ZAEMLKKDNZEVDR-UHFFFAOYSA-N 430.371 5.653 0 40 IKAB CCN(C(=O)C(F)(F)F)c1ccc2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226283769 QDXDWLRWCFGXDE-UHFFFAOYSA-N 433.213 5.725 0 40 IKAB C[C@H]1[C@H](C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@@H](O)[C@](C)(CO)[C@@H]5CC[C@]43C)[C@H]12 255256960 OWRQLFZZRDBJKV-VIBYTCFNSA-N 442.728 6.997 0 40 IKAB biogenic,in-vitro CN1C(=O)CCC[C@]12CN(C(=O)[C@@H](c1ccccc1)C1CCCC1)C[C@H]2c1cccc(F)c1 257341864 ZMFKYHCNBAGFOL-GYGTVUFYSA-N 448.582 5.107 0 40 IKAB CCc1ccc(CNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408577451 SPKOIGZMCFMQEF-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)c1 408641307 JWEUSLVQCJGWLK-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3)CC2=O)cc1Cl 408647908 WAHKIODIIMPJRF-LLVKDONJSA-N 442.140 5.056 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@@H]2C)C1=O 408816204 XYZBWDQPYARYBS-DNJVMGIPSA-N 430.597 6.530 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccccc2Cl)c1 409101275 XRCNNVRTBOWKPR-UHFFFAOYSA-N 435.980 5.991 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc(Cl)c1 409119773 UFYSQLPNSVEEHJ-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 409133366 STQOZSVYXGLITM-STZFKDTASA-N 440.952 5.820 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1ccc(Cl)cc1 409151131 GRVLFKPAFOTUKV-OQLLNIDSSA-N 440.830 5.034 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2)cc1 409269908 AXRAQOVXDUPPTA-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 409379223 VSGHIWFBDLRXJB-QFIPXVFZSA-N 436.533 5.042 0 40 IKAB O=C(c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl)N1CCCCCC1 848585 ZGEGNHQJJUCOBV-UHFFFAOYSA-N 440.828 5.224 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 867009 PBXZJTCEKAJLNC-LSDHHAIUSA-N 444.860 5.352 0 40 IKAB Cc1c(NC(=O)COc2ccc(Cl)cc2Cl)cccc1-c1nc2ncccc2o1 997257 HXQLDFRKRXSXNT-UHFFFAOYSA-N 428.275 5.523 0 40 IKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 1224251 IORWNSDSOBOQTL-FQEVSTJZSA-N 441.600 5.474 0 40 IKAB CC1(C)[C@@H]2CC[C@@]1(C)CN(C[C@H](O)Cn1c3ccc(Cl)cc3c3cc(Cl)ccc31)C2 1225587 IVFYNVUWEOJAST-GSQWSPMESA-N 445.434 6.220 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4cccs4)CC3)cc2)cc1 1255728 JYPLTOWLHAAKJI-UHFFFAOYSA-N 447.604 5.260 0 40 IKAB CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1318846 FPHOLZDVSPTEKR-HVCBDAARSA-N 442.993 5.257 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)Nc1nc(-c2ccc(Br)cc2)cs1 1770313 KMNHOJOPHHNRRR-UHFFFAOYSA-N 445.382 5.888 0 40 IKAB O=C(/C=C/c1ccccc1)Oc1cccc(Nc2ncnc3ccc(Br)cc23)c1 1912305 DHEIHBLSSTUCSW-FMIVXFBMSA-N 446.304 5.755 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(OC)c4)cc2-3)OCO5)cc1 2691379 ZSYWKZAKKGARIG-UHFFFAOYSA-N 437.499 5.551 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)/C=C/c2ccc(C(C)C)cc2)sc2c1CC[C@@H](C)C2 2736774 LNZKKRIMLFITCE-JZUUQJBKSA-N 425.594 6.213 0 40 IKAB Cc1ccc(C)c(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 2925311 AQGHFVZQWMLHJN-UHFFFAOYSA-N 436.558 5.144 0 40 IKAB O=C(Cc1ccccc1)N[C@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl 3010908 JBZLHNBYJHJAKD-HNNXBMFYSA-N 426.558 5.461 0 40 IKAB O=c1c2ccccc2nc(CSc2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 3050367 IWLOTYKCATVAEN-UHFFFAOYSA-N 446.881 6.350 0 40 IKAB O=C(/C=C/c1ccco1)O[C@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 3259876 BNPDACQLTRCVBJ-BQYDLMEBSA-N 449.812 5.888 0 40 IKAB Cc1nc2ccc(NC(=O)[C@@H](Nc3ccc(C(F)(F)F)cc3Cl)C(C)C)cc2s1 3351886 MXVYVILWVKHHDY-SFHVURJKSA-N 441.906 6.352 0 40 IKAB COC(=O)CC[C@H](C)C1=C2[C@@H](CC1)[C@@H]1CC[C@@H]3C[C@H](OC(C)=O)CC[C@]3(C)[C@H]1C[C@H]2C 4104900 RURACZOOLZNYIQ-YOPQSZSZSA-N 430.629 6.086 0 40 IKAB biogenic,in-vitro CC(C)c1ccc2c(c1)CC[C@@H]1[C@]2(C)CCC[C@@]1(C)CNCc1cccc2ccccc12 4666711 JVRGEFPYXCXEQL-RWSKJCERSA-N 425.660 7.763 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 8831884 GMRYARUGZFRRMO-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CCOc1cc(-c2cccs2)c/c(=N\c2cc(OC)cc(OC)c2)c2c(C)oc(C)c12 8837478 MVHLRCHTOFPIIC-YYADALCUSA-N 435.545 6.426 0 40 IKAB biogenic C[C@@]1(c2ccccc2)CC(n2c3ccccc3c3ccccc32)=NC(SCC(=O)O)=N1 8856015 XZYLZFUUIXGASZ-VWLOTQADSA-N 427.529 5.534 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@@H]2c2ccc(Cl)cc2)cc1 8869409 PHKZAQZUAVDEGJ-XOYGFPHKSA-N 426.368 7.122 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2nc3ccccc3s2)n1C1CC1 9056647 APHKBAIZJIBKCZ-UHFFFAOYSA-N 428.970 5.747 0 40 IKAB COc1c(C(=O)NC(=S)Nc2cc(C)cc(C)c2)cc2ccccc2c1Br 9064811 XKKWHFWWRTWDJU-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccccc2F)cc1 9159005 ANJFDTKGXUJSQF-UHFFFAOYSA-N 446.522 5.851 0 40 IKAB CCOc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9271953 QDRBZDXAKMTPQA-UHFFFAOYSA-N 432.907 5.427 0 40 IKAB Cc1cccc(NC(=O)Cn2c([C@@H](NC(=O)c3ccccc3)C(C)C)nc3ccccc32)c1 9272748 GTDZNVZZFRKPLU-VWLOTQADSA-N 440.547 5.111 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2Cl)cc1 9309564 XAVZGBHHZQEGHE-UHFFFAOYSA-N 437.927 6.010 0 40 IKAB Cc1c(Cl)cccc1NC(=O)C(Cc1ccccc1)C(=O)Nc1cccc(Cl)c1C 9425559 HIDDWLFINJVFJZ-UHFFFAOYSA-N 441.358 6.046 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)c1 9571767 NASKWIZSOKRPLH-UHFFFAOYSA-N 446.551 5.345 0 40 IKAB C[C@@H](Sc1ccc2c(c1)OCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9586360 MHVKXDQVIQVDED-LLVKDONJSA-N 428.560 5.338 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)c1C 9751335 LWHMCIBQNKTKRH-UHFFFAOYSA-N 449.576 5.536 0 40 IKAB Cc1oc2cc(OCC(=O)N3c4ccccc4C[C@H]3C)ccc2c(=O)c1-c1ccccc1 9789862 GMCLWPPDJOQNOT-QGZVFWFLSA-N 425.484 5.125 0 40 IKAB CCc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1 10013431 OEAUIHDJOJENFB-MHZLTWQESA-N 439.584 5.876 0 40 IKAB O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)C(c1ccccc1)c1ccccc1 11847404 NVJNHABGSHZSPP-UHFFFAOYSA-N 445.396 6.949 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(OCC)cc2)cc1 12196607 GEVDRPVWKFXUFD-RPLLCQBOSA-N 444.531 5.735 0 40 IKAB Cn1c(CN2CCC[C@H](CCC(=O)Nc3ccc(C(F)(F)F)cc3)C2)nc2ccccc21 12202075 SWPFEBCLKKKORA-QGZVFWFLSA-N 444.501 5.223 0 40 IKAB Cc1cccc(NC(=O)c2nnn(Cc3nc(-c4ccc(Cl)cc4)oc3C)c2C)c1C 12415501 JILNAUKMPJVWEX-UHFFFAOYSA-N 435.915 5.121 0 40 IKAB COc1ccc(CC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C2CCCCC2)cc1 12654529 JPAOCHJTEQCQGB-UHFFFAOYSA-N 439.943 5.303 0 40 IKAB O=C(c1ccccc1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 13041150 ZGVKQVSBCZUDFO-INIZCTEOSA-N 433.360 5.943 0 40 IKAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CSCc1ccc(Cl)c(Cl)c1 13109438 FSEWBXHEGNUEBN-UHFFFAOYSA-N 447.387 5.477 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@@H]2CCCC[C@H]2C)cc1 13138038 RQPRFKUNZKSXGL-IIBYNOLFSA-N 439.556 5.819 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 13301239 SEHDOBWHDBZZQU-NRLPKAJVSA-N 429.470 5.797 0 40 IKAB Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@H](c1ccc(Cl)cc1Cl)N2 13880442 XFQABZFFVGPTQF-HUUCEWRRSA-N 439.144 5.076 0 40 IKAB C/C=C/[C@@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 14515801 BYVVOONSAAQMKI-ILVDVSRFSA-N 433.548 5.457 0 40 IKAB biogenic,in-vitro CC(C)(C)c1ccc(OCC(=O)Nc2ccccc2Br)c(Br)c1 14649582 ZIUFSICUTSBYDW-UHFFFAOYSA-N 441.163 5.527 0 40 IKAB O=C(Nc1ccc(F)cc1F)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778778 OQRPXSIAUPBAQY-IBGZPJMESA-N 440.837 5.579 0 40 IKAB Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 16757767 GXPVPSOUYHGFOP-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)COc1cccc(C)c1 17096942 GSCMLNGNQCQRDC-UHFFFAOYSA-N 430.504 5.953 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(Br)o2)c2c[nH]c3ccccc23)cc1 18074538 UBUKYMNYGUVPPJ-QGZVFWFLSA-N 439.309 5.094 0 40 IKAB CCOc1cc2c(cc1NC(=O)C1C[C@@H]3CCC[C@H](C1)C31SCCS1)O[C@@H](C)C2 18238574 FBOZOGKQJUWOAD-MIGBEJBISA-N 433.639 5.350 0 40 IKAB Cn1cc(CCCC(=O)N2CCC[C@H](c3nnc(-c4cccs4)o3)C2)c2ccccc21 19290435 AYSCVXMMGWEPHE-SFHVURJKSA-N 434.565 5.019 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)noc2n1 19452081 NGUTXYZPJACUBL-CQSZACIVSA-N 449.477 5.162 0 40 IKAB O=C(NC(=S)Nc1ccccc1-c1nc2ccccc2s1)c1cccc2ccccc12 19630262 YOEZKCUMIGTCTQ-UHFFFAOYSA-N 439.565 6.243 0 40 IKAB Cc1nc([C@H]2CCCCN2CCc2ccccc2)nc2c1CCC(=O)N2Cc1ccccc1 19703718 XALAHZUZAAUHQP-RUZDIDTESA-N 440.591 5.034 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3ccnn3C(C)C)cc2)O[C@@H](C(C)C)C1 19711775 SNKCJOQEZJNCAH-JRFVFWCSSA-N 426.605 5.303 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)cc1Cl 19894502 LCJQDRMDKWFLME-UHFFFAOYSA-N 425.768 6.975 0 40 IKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 20030109 YPKQVGHDKGVVFD-UHFFFAOYSA-N 431.361 5.803 0 40 IKAB COc1ccc(CN2COc3c(Cl)cc4c(-c5ccccc5)cc(=O)oc4c3C2)cc1 20403821 OILFIMDHWRODSN-UHFFFAOYSA-N 433.891 5.474 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 21580764 SLNFGGVZQWZBCC-UHFFFAOYSA-N 435.911 5.688 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)cc1OC 23386411 PJGXDCQPHXIWCB-IBGZPJMESA-N 440.927 5.309 0 40 IKAB COc1ccc(-c2c[n+](-c3ccc(SC(F)F)cc3)c3n2CCCCC3)cc1OC 27788621 ZENFBXICKWTHAK-UHFFFAOYSA-N 431.528 5.490 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2cccs2)N2CCCCC2)oc2ccc(Br)cc12 27794574 CHXMTCUGXCNCSD-KRWDZBQOSA-N 447.398 5.522 0 40 IKAB Cc1cccc(CSCCNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c1 30853442 XJCBXZHQXGYAOU-UHFFFAOYSA-N 430.617 5.611 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1cccc(NC(=O)c2ccccc2)c1 32111846 MLEDAVNQBWIHEE-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(O[C@@H](C)CC)c3)sc2c1 32118971 LLXZAMXQCFQGLW-HNNXBMFYSA-N 441.622 5.943 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 32679725 GOOXNALIBIUURT-VWLOTQADSA-N 443.572 6.309 0 40 IKAB Cc1cc(C)cc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)c1 35533947 FKIYEMYVVZXUGL-UHFFFAOYSA-N 438.506 5.749 0 40 IKAB Cc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1S(=O)(=O)Nc1cccc(C)c1C 38757303 LYSKPXKNUWHMTJ-XMMPIXPASA-N 448.588 5.220 0 40 IKAB COc1cc2c(cc1NC(=O)NCc1cccc(NC(=O)C3CC3)c1)oc1ccccc12 40024067 PRDXAOKKHRYLCP-UHFFFAOYSA-N 429.476 5.265 0 40 IKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)N1CCc2ccccc21 44086680 JMTLPDILPHXKKQ-UHFFFAOYSA-N 425.557 5.529 0 40 IKAB O=C(N[C@@H](Cc1ccc(F)c(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320409 GKDZBYZULQFYHD-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccncc2)n1 72301737 LOIUVZPGYRMAEX-OAQYLSRUSA-N 425.536 5.967 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccc(Cl)cc1 89577830 PEWKWADQKJBGKF-UHFFFAOYSA-N 441.940 5.619 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccccc1 100419740 MKAFJNDFSIJRBA-JWQCQUIFSA-N 425.576 6.061 0 40 IKAB COc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)cc1OCc1ccccc1 101513935 YZENKZBTWPYRNQ-QFIPXVFZSA-N 428.467 5.061 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1cc2cc(Cl)ccc2o1 107583684 VOKZGKKZLOIRRX-UHFFFAOYSA-N 448.773 6.419 0 40 IKAB O=C(NCc1ccc([C@@H](O)c2ccccc2)s1)C1c2ccccc2Oc2ccccc21 207970534 SWKKYOIJBSVEDK-VWLOTQADSA-N 427.525 5.384 0 40 IKAB CCOC(=O)c1ccc(NC(=O)COc2ccc(C(C)C)cc2Br)c(C)c1 218875769 QDJAQQJTNKRTBY-UHFFFAOYSA-N 434.330 5.075 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cc1Cl 222820962 OZDSIKLTYOSOLK-PMACEKPBSA-N 431.392 5.560 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 222903462 BMJCPUMVRUJSEY-CQSZACIVSA-N 439.358 5.007 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222980660 DGWPPPLATBCRGM-RTWAWAEBSA-N 444.025 6.252 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 223446734 LHMFTUPJJOMYQG-JOCHJYFZSA-N 442.575 5.050 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCOCC1)Nc1ncc(Cl)cc1Cl 224014679 MQUDQMUNJDXUKC-UHFFFAOYSA-N 430.788 5.077 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1cccc(Cl)c1 224145418 DPHHNJSCFFJLSO-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccc(C(C)(C)C)cc2)c1 224186881 LMUBMQPGQWJMSI-UHFFFAOYSA-N 445.603 6.949 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224243294 NUYFAHOYCQQJMX-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)c1 224312480 ARXQGEAAKZNVGJ-JWQCQUIFSA-N 440.572 5.372 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 224485520 KBPIIAFIBROBQC-HXUWFJFHSA-N 441.593 5.479 0 40 IKAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)cc2)c1 224486065 SIZGRAHYKISALL-VQTJNVASSA-N 441.398 5.404 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)c1 224525332 VFCJKNHFABTEJE-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225164314 SORPQAAYXIPOCS-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225286173 SXYGLNOUHAEDLB-IRXDYDNUSA-N 435.395 5.258 0 40 IKAB COc1ccc(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c(OCC(=O)O)c1 257254502 KDIHNDCOOLJGBS-UHFFFAOYSA-N 446.478 5.071 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 260769167 KJZUNXWGCBOWGE-NGXZDTIWSA-N 446.620 5.786 0 40 IKAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)cc1 408615383 PSKNSIKLASJDMN-UHFFFAOYSA-N 443.330 5.574 0 40 IKAB CC1CCN(C(=S)Oc2cccc(C(=O)Nc3ccc(Br)cc3)c2)CC1 408722172 QDJXTVJWLUNYLP-UHFFFAOYSA-N 433.371 5.097 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1cc3c(cc1Br)OCO3)N2 408997430 OOCAVBVQJSTIRO-NMCONKOPSA-N 442.309 5.173 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c(C)c1 409178156 JGWBZGJRBUZITN-AREMUKBSSA-N 449.934 5.843 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc(Cl)c1O[C@H](C)CC 409239828 FMRQADXECDDAMO-DDLUMYACSA-N 442.943 5.317 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409243744 XYMYMFTUDQOQDJ-XQNSMLJCSA-N 433.529 5.492 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409258624 VTSWBFMIGDUCNF-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc4ccccc34)C2=O)cc1 409356472 GYHNHFOCZIQAQI-JCMHNJIXSA-N 446.528 5.304 0 40 IKAB CC(C)c1nc(Cc2ccc(F)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265102 GKFXCRUGGCJRAV-UHFFFAOYSA-N 428.301 6.063 0 40 IKAB CC[C@@H](C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)c1 585291842 DXCQQZHCJSZRDS-WQTMURJGSA-N 444.015 6.151 0 40 IKAB Cc1cc(C)cc(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)c1 643583039 IPYHLDJMUXCNKA-UHFFFAOYSA-N 443.587 6.157 0 40 IKAB C=CS(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c(OC)c1 625162 SCSACGCBFLFOBP-UHFFFAOYSA-N 442.345 5.386 0 40 IKAB O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)N1CCN(c2ccccc2)CC1 671868 FQONFCIHOCHMHT-UHFFFAOYSA-N 427.935 5.518 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)Oc2ccccc2)c1 713069 YSRRIXDWAXZPDM-INIZCTEOSA-N 438.911 5.397 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3cccc(Br)c3)o2)nc2ccc(Cl)cc12 934732 NGBFDTCJCKZNQS-UHFFFAOYSA-N 428.669 6.276 0 40 IKAB O=C(CSc1ccc(Br)cc1)N1CCC(c2nc3ccccc3s2)CC1 1403822 STZQNPQHRGPQBX-UHFFFAOYSA-N 447.423 5.557 0 40 IKAB Cc1ccc(-c2nc3ncccc3o2)cc1NC(=S)NC(=O)c1ccc(C(C)C)cc1 1408521 YQJKJHOVJHVIJD-UHFFFAOYSA-N 430.533 5.448 0 40 IKAB Fc1ccc(C2=CSC3=NC4=C(CCc5ccccc54)[C@H](c4ccc(F)cc4)N23)cc1 1814213 QLYLIQATMOHGMN-VWLOTQADSA-N 428.507 6.780 0 40 IKAB Cc1ccc2nc(Nc3ccc(C(=O)Nc4ccccc4C)cc3)nc(-c3ccccc3)c2c1 2064055 FOZDVAYRXYNUPU-UHFFFAOYSA-N 444.538 6.910 0 40 IKAB CCOC(=O)c1c(-c2ccc(CC(C)C)cc2)csc1NC(=O)c1ccc(Cl)cc1 2107722 XWNRQBPDQJRVOK-UHFFFAOYSA-N 441.980 6.696 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccccc2Cl)n1Cc1ccco1)CCCC3 2394206 VNAVXHNZKCMXIZ-UHFFFAOYSA-N 442.993 5.924 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3nc(-c4ccccc4)cs3)n2)cc1C 2733530 WKMMKLBEGIMHMC-UHFFFAOYSA-N 435.596 7.563 0 40 IKAB Cc1cc(OCc2ccc(C(=O)N3CCC(=O)[C@@H]4CCCC[C@@H]43)o2)c(C(C)C)cc1Cl 2791768 MGPIGUQHHXQDOW-NQIIRXRSSA-N 443.971 5.918 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)/C=C/c2cccc(C(F)(F)F)c2)cc1 3231098 MQBLOAUYXXYOFL-NTEUORMPSA-N 440.421 5.618 0 40 IKAB CCOc1ccc(C(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1 3232633 YPDRRDMETJHFAF-UHFFFAOYSA-N 426.538 5.320 0 40 IKAB CN(c1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3)C1CCCCC1 3282180 RJXRZBMGBCNSBD-UHFFFAOYSA-N 444.069 6.895 0 40 IKAB O=C(CNc1ccc(Br)cc1)N(CCc1ccccc1)CCc1ccccc1 3298601 FLRIMAGNXZXBIR-UHFFFAOYSA-N 437.381 5.175 0 40 IKAB CC(C)Cn1c(SCc2cccc(C(F)(F)F)c2)nc2cc(Cl)ccc2c1=O 3327936 MALZDSRBUGQHOG-UHFFFAOYSA-N 426.891 6.017 0 40 IKAB Cc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 5451300 ZLFVGLCFVSWFMP-HHHXNRCGSA-N 426.560 5.856 0 40 IKAB CCCCOc1ccc(CNC(=O)c2sc3nc4ccc(OCC)cc4cc3c2N)cc1 6077991 NBTXPSRJIZERCN-UHFFFAOYSA-N 449.576 5.539 0 40 IKAB COc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1 8383689 DREZIVHLFYOSGU-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB COc1ccc(-c2cc(-c3ccc(Cl)cc3)nc3cc4c(cc23)-c2ccccc2C4)cc1 8398071 ZVKAEFGSWOPSPU-UHFFFAOYSA-N 433.938 7.802 0 40 IKAB O=C(CSc1nc(-c2cccc(F)c2)[nH]c1-c1ccccc1)Nc1ccc2c(c1)OCO2 8594687 RLKHLJOQEKRCCU-UHFFFAOYSA-N 447.491 5.342 0 40 IKAB aggregator CCc1ccc(OCCn2c(C)c(C(=O)OCCOC)c3cc(O)c4ccccc4c32)cc1 8783575 WTYXMXSOPPQWBK-UHFFFAOYSA-N 447.531 5.253 0 40 IKAB biogenic,in-vitro O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Br)cc2)o1 8832289 NBFDJCCDUVWWAN-UHFFFAOYSA-N 444.634 6.634 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3c(C)cc(C)cc3C)c3cc(Cl)ccc32)cc1 8922693 JVESINRXVWOZRS-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB O=C(CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1)c1ccc[nH]1 9314690 HGNQCTXYSDVYEQ-UHFFFAOYSA-N 446.919 5.908 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccc(F)cc1 9396770 KFNWPMIZPWJZBS-UHFFFAOYSA-N 427.888 5.354 0 40 IKAB Cc1ccc(C)c(-c2csc(Nc3ccc(S(=O)(=O)Nc4cc(C)on4)cc3)n2)c1 9435149 JXCRCWOQRDTGHE-UHFFFAOYSA-N 440.550 5.268 0 40 IKAB O=C([C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1)N1CCCC1 9478090 NUAYLNKENCQORS-QFIPXVFZSA-N 443.576 5.217 0 40 IKAB COc1ccc(Nc2nc(C(=O)OCC(=O)c3ccc(Cl)c(Cl)c3)cs2)cc1 9805595 PCCSOPIIYINTOL-UHFFFAOYSA-N 437.304 5.242 0 40 IKAB CCc1c(-c2ccc(-c3ccccc3F)o2)nc2ccc(Br)cc2c1C(=O)O 11690120 YYHYXRXHJRJERA-UHFFFAOYSA-N 440.268 6.324 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)/C=C\c2ccccc2)c(OC)c1 11758411 MCEIPLQRFAOIRH-QINSGFPZSA-N 442.471 5.354 0 40 IKAB O=C(CCc1csc(NC(=O)c2ccc(Cl)cc2)n1)Nc1ccc(F)c(Cl)c1 11835473 JKOGORKGXNENDC-UHFFFAOYSA-N 438.311 5.413 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@H]21 12196456 ZDVSAQCEHFPQNZ-HOYKHHGWSA-N 436.533 5.406 0 40 IKAB Cc1ccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccc(Cl)cc5)c4c3)c2C)cc1 12274508 YOIBKXPRDVBVQW-UHFFFAOYSA-N 443.894 5.598 0 40 IKAB O=c1oc2ccccc2c(O)c1[C@@H]1c2cc(Cl)ccc2Oc2c1c(=O)oc1ccccc21 12360135 HTGIFMPFUMHEKZ-IBGZPJMESA-N 444.826 5.544 0 40 IKAB O=C1c2ccccc2N[C@@](c2nc3ccccc3s2)(C(F)(F)F)N1Cc1ccco1 12605962 ZIEKMYWOVZHIME-HXUWFJFHSA-N 429.423 5.373 0 40 IKAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)NC1CCCCC1 12641406 GCCGQXWADIHFFQ-UHFFFAOYSA-N 431.558 5.252 0 40 IKAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c(C)c1 12878285 SWPRREUMFIOPTK-UHFFFAOYSA-N 443.041 5.599 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cccc(C)c3C)n2CC)cc1 13871542 YSDNVILNURKQIL-SFHVURJKSA-N 438.597 5.348 0 40 IKAB CCNc1c(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)c(=O)oc2ccccc12 15879094 HOZAXACJMHIHBJ-UHFFFAOYSA-N 426.538 5.073 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1cccc(OCc2ccccc2)c1)c1ccc(Cl)cc1 16262068 XMQJEEYYYRCTIU-QHCPKHFHSA-N 431.923 5.172 0 40 IKAB Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1 16291789 CZDXCCWIFGHIMN-OAQYLSRUSA-N 435.803 8.062 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1cc(Cl)ccc1Cl 16479878 QBZVEMNLZGNARS-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 17096946 HBEXGXPMTDWWEO-QGZVFWFLSA-N 430.504 6.034 0 40 IKAB Cc1c(-c2ccc(Cl)cc2Cl)nc2ccccc2c1C(=O)N[C@@H](C)c1ccccc1 17099439 NNWGVNWWGSTWID-INIZCTEOSA-N 435.354 7.008 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)c1 19294055 JCXMNAHJFUXSPY-XMMPIXPASA-N 440.526 5.544 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3ccc4c(c3)C[C@H](C)O4)c2)cc1 19690662 GHSOSVZEPXRKMO-AFMDSPMNSA-N 442.559 5.295 0 40 IKAB c1ccc(C(c2ccccc2)N2CCN(c3ncnc4sc5c(c34)CCC5)CC2)cc1 19897268 YSBQNLORHAPVFB-UHFFFAOYSA-N 426.589 5.092 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140018 VVKHBALQZYOKRZ-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144233 MCVYPCMRJMPAPO-UHFFFAOYSA-N 426.683 5.417 0 40 IKAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20456358 KMQRAWXNXQJFPH-QGZVFWFLSA-N 435.951 6.275 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1cccc(F)c1 21005638 VIPXDSAAGQJHFB-DEOSSOPVSA-N 443.478 5.173 0 40 IKAB CCc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C(C)(C)C)C4)cc1 21882601 OTIBGXWJTZLLNS-MRXNPFEDSA-N 437.609 5.269 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 22111365 UMYHAXVMRSIGGJ-UHFFFAOYSA-N 447.347 5.927 0 40 IKAB CCCN(c1ccc2sc(C(=O)N[C@@H](C)CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209222 XMZAXRFSRINMTN-KRWDZBQOSA-N 444.622 5.343 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2c1 28289555 QYRUNJFBJQIXQJ-QHCPKHFHSA-N 446.591 5.274 0 40 IKAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1cc(Br)ccc1Cl 32719643 XOHOUPWQMNIZAP-UHFFFAOYSA-N 439.718 5.126 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)c4ccc(-c5ccccc5)cc4)c3)nn12 34880427 GZYXVRBECDPEIN-UHFFFAOYSA-N 439.544 5.643 0 40 IKAB CC(=O)OC1=CCC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 36371734 DOZKIOWESDDEID-HPFPHAIXSA-N 442.728 8.555 0 40 IKAB CSc1nc2ccc(NC(=O)c3ccccc3SCc3cscn3)cc2s1 40043002 VKCMSLCDDVCPNF-UHFFFAOYSA-N 429.617 6.019 0 40 IKAB Cc1cc(NC(=O)c2cc(-c3ccc(Br)cc3)[nH]n2)ccc1Br 44837510 RAHWWRYMWXRPNN-UHFFFAOYSA-N 435.119 5.162 0 40 IKAB O=C(Nc1cccc(CN2CCCC2)c1)c1[nH]c2ccc(Br)cc2c1Cl 58118658 HEYZUNWQXCDTID-UHFFFAOYSA-N 432.749 5.432 0 40 IKAB COc1ccc(CSc2nnc(-c3c[nH]c4ccccc34)o2)c(Br)c1OC 58391340 PONXJIBHMKRZRV-UHFFFAOYSA-N 446.326 5.290 0 40 IKAB CC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C(F)(F)F)sc2c1 59489730 MFRIBSHVFLVMQK-UHFFFAOYSA-N 425.457 5.004 0 40 IKAB CCc1ccc(-c2noc(-c3cn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 67245408 TYQNDYHHPPWRCW-UHFFFAOYSA-N 427.891 5.924 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 69351532 XYJXKXJWAADCFR-YCRPNKLZSA-N 448.394 5.377 0 40 IKAB CCC[C@@H](NC(=O)C(=O)Nc1ccc(OC(F)F)c(F)c1)c1cccc(C(F)(F)F)c1 84740448 OABLOLDPOPYWNI-OAHLLOKOSA-N 448.363 5.042 0 40 IKAB COc1ccc(C(=O)N2N=C(c3ccco3)C[C@H]2c2ccc(Br)cc2)cc1 89438718 ILNGHAWAIKWMRM-IBGZPJMESA-N 425.282 5.042 0 40 IKAB O=C(Nc1cccc(NC(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)c1)c1cccs1 89780544 JEXZKHFEBVTCHI-IBGZPJMESA-N 441.940 5.339 0 40 IKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)c1nc3ccccc3nc12 100769327 KOVQRPKIMYZUMM-DHIUTWEWSA-N 425.454 5.616 0 40 IKAB Cc1oc2ccccc2c1-c1cs/c(=N/S(=O)(=O)c2ccccc2)n1-c1ccccc1 100894515 PZMNMBONEFBLIY-OCOZRVBESA-N 446.553 5.550 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=O)N(c4ccccc4)[C@@]2(C)Oc2ccc(C)cc23)c(C)c1 101353198 YTWWESZASIDMRB-DPZBCOQUSA-N 441.531 5.246 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 101987149 QENWBJAXORFUJO-YKTARERQSA-N 439.386 6.763 0 40 IKAB O=C(NC(=S)Nc1cccc2ncccc12)c1sc2cc(Cl)ccc2c1Cl 108265266 XELLKUZZTWSYCC-UHFFFAOYSA-N 432.357 5.883 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 222547772 KEAYEGAVKQIICY-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223748142 VPFBMELHMOPLLT-NRFANRHFSA-N 433.017 5.156 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223994844 HOYUGGVPMJDPRH-BJKOFHAPSA-N 445.592 5.134 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)cc1 224194361 XBEBKFKQHAEEEA-FCHUYYIVSA-N 445.617 5.431 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1 224299182 AIPHWKPXMJDUQY-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224308069 CLJNJGKYEFCHTH-HXUWFJFHSA-N 426.576 5.071 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(C)cn2)cc1 224327182 XWYFJAUELWIUFM-DQEYMECFSA-N 439.588 5.315 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1C1CCCCC1 224397038 HZEAGZGUSMHNBH-DQEYMECFSA-N 448.611 6.321 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 224430909 PQBPHIDHSPLLAF-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2ccco2)N1c1ccc(Cl)cc1 224460407 VTISBRYQRLPNQY-FCHUYYIVSA-N 434.952 5.355 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 225162855 GIMHJDQTNOQYJM-HXUWFJFHSA-N 443.031 5.730 0 40 IKAB CN(C)CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1 225529298 UJSHBJQLCRMNKS-UHFFFAOYSA-N 435.395 5.774 0 40 IKAB COc1ccc(C(=O)NC[C@H]2CC[C@H](c3ncc(Cl)cc3-c3ccncc3)CC2)s1 257211441 BYWHUEPUXRTECY-JCNLHEQBSA-N 441.984 5.571 0 40 IKAB O=C(N1CCC2(CC1)C[C@H](Oc1ccccc1F)CO2)C1(c2ccccc2F)CCCC1 257245045 INWXEAYYOWXLEN-IBGZPJMESA-N 441.518 5.006 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408572346 GJDJZUQHJDQOPV-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)c(OC)c1OC 408573919 FKTGNYABDIOHFB-VZUCSPMQSA-N 447.575 5.832 0 40 IKAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408576301 XDFZPFUQKHKACX-JQIJEIRASA-N 433.533 5.212 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc(Cl)c2Cl)C1=O 408800535 NRWPAGKEPUQMHM-LGYZAGEUSA-N 446.423 7.047 0 40 IKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccc(Cl)cc2)c2ccccc2)cc1 408906860 JKFYDDCBRIUQAD-JJIBRWJFSA-N 437.992 5.939 0 40 IKAB Oc1nc(-c2ccc(Sc3nc4ccccc4s3)o2)nc2sc3c(c12)CCCC3 408989120 HAUQJXHXMAZAOG-UHFFFAOYSA-N 437.571 6.297 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(F)cc1)Nc1ccccc1 409108358 WNUCQMVNPPVKLW-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB COc1c(Cl)cc(Cl)cc1[C@H](c1c[nH]c2ccccc12)C1C(=O)OC(C)(C)OC1=O 409112344 CEYBCRVTQXNRAI-QGZVFWFLSA-N 448.302 5.068 0 40 IKAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409173616 MMZAYWSODORDRV-ZGTHKHSNSA-N 434.649 6.245 0 40 IKAB COCCN1C(=O)S/C(=C/c2cc(Cl)ccc2OCc2cccc(Cl)c2)C1=O 409215519 AJEXKPRZGFNRAI-WOJGMQOQSA-N 438.332 5.255 0 40 IKAB CN1CCCCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643584031 IKCVFQCSICTIRB-VWNXMTODSA-N 426.601 5.041 0 40 IKAB CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)N[C@H](C)c3ccccc3)nc21 659422 VRTVOYOXZRMDBM-UZLBHIALSA-N 433.581 5.138 0 40 IKAB CC1=C[C@@H](C)C(COC(=O)NC2CCCCC2)(COC(=O)NC2CCCCC2)[C@H](C)C1 783600 WJBCXGNDJCUFGU-WOJBJXKFSA-N 434.621 5.713 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2ccc(F)cc2)c1C 872070 JKAXJDFOQLSJMO-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@H]2CCCO2)c(C)c1 885052 SZKIIRGLVMPISF-OAQYLSRUSA-N 449.620 5.140 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(Cl)cc1Cl 902290 ASQJVTHJTDBONH-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB Cc1cc(NC(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)c2ccccc2n1 918206 PVEQVMJPGKWVMV-UHFFFAOYSA-N 437.381 5.117 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)ccc3o2)cc1 986847 AXQBGTCCLUTZGE-UHFFFAOYSA-N 428.875 6.969 0 40 IKAB Cc1c(Cl)cc(C(C)C)c(O)c1NC(=O)CSc1nnc(C)n1Cc1ccccc1 1076370 QLJLNAUVUQHZOS-UHFFFAOYSA-N 444.988 5.156 0 40 IKAB CCCSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 1808390 WISPATAWFVYPAO-UHFFFAOYSA-N 444.644 6.413 0 40 IKAB biogenic O=C(N[C@H](Nc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054610 NRWPCZPPDWVLRA-AWEZNQCLSA-N 446.976 6.185 0 40 IKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 2268146 USPPXVKRCVRMPM-IERDGZPVSA-N 441.358 6.351 0 40 IKAB Cc1ccc(CSc2nnc(-c3cccc(NC(=O)/C=C/c4ccccc4)c3)n2C)cc1 2276368 DOUIAMPUEOWXSP-FOCLMDBBSA-N 440.572 5.735 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4)c3)nc2c1 2595166 NOIFXJKBBRXMRR-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB Fc1ccccc1-n1c(SCCOc2ccc(Cl)cc2)nnc1-c1cccnc1 2622734 NZRKHBSFDRXJOU-UHFFFAOYSA-N 426.904 5.293 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Nc3nc(-c4ccccc4)cs3)sc2c1Cl 3208969 SKXGXJIZCIOHIB-UHFFFAOYSA-N 435.357 6.593 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cccc(Oc2ccccc2)c1 3231480 BOJCEMOYXVAALA-UHFFFAOYSA-N 443.524 6.636 0 40 IKAB C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NCCC1=CCCCC1 3322925 NUISGSJGTBHPKS-HNNXBMFYSA-N 439.606 5.139 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC4CC(C)(C)NC(C)(C)C4)cc3)sc2c1 3365886 ZMECXCUFCNSLRG-UHFFFAOYSA-N 438.666 5.867 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)c(C)c2)cc1 3655527 AQCXEHIXCFTUGM-UHFFFAOYSA-N 429.472 5.307 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1Cl 3770811 JDSLLRLUJWYWOM-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846390 KRLZDCUGJCHXMY-LIYXKOFYSA-N 448.688 6.801 0 40 IKAB biogenic CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)ccc1OC 4554740 YTWHFQUXBVUVIA-QVKFZJNVSA-N 428.598 6.125 0 40 IKAB CCCCOP(=O)(OCCCC)C(c1ccccc1)(c1ccccc1)c1ccccc1 5328686 CCTWMDUMEVYBKA-UHFFFAOYSA-N 436.532 7.805 0 40 IKAB CCCO[C@H]1[C@@H](C)C2(c3ccccc3-c3ccccc32)N(c2ccc(Cl)cc2)N1C#N 8386450 AYEFNLTUNBCJQX-CJAUYULYSA-N 429.951 6.171 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4cccc(Cl)c4)N3C2=O)c1 8917887 XTRARPMVPVDXHB-LADGPHEKSA-N 441.918 5.613 0 40 IKAB biogenic COc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OC)cc3OC)C2)c(OC)c1 8925995 UUKTXSKHUSFFPV-MYHFBWBUSA-N 444.531 5.742 0 40 IKAB CCc1ccc(N(CC(=O)Nc2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)cc1 8958969 IYEAKXQRPNVDBK-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9008683 JKTNYDSHFOEPRS-AHKZPQOWSA-N 428.532 6.116 0 40 IKAB COc1ccc2c(-c3cccnc3)cc(SCC(=O)N(C)Cc3ccccc3)nc2c1 9118052 IVAHCCXXASHXBY-UHFFFAOYSA-N 429.545 5.056 0 40 IKAB Cc1c(C(=O)Oc2cc(-c3ccc(F)cc3)c3oc(=O)sc3c2)oc2ccc(F)cc12 9430761 RWMPVCPQIWCMIR-UHFFFAOYSA-N 438.407 6.074 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3nc2O)S(=O)(=O)c2ccccc2)cc1C 9431047 NRFMSBYULUXCMA-UHFFFAOYSA-N 432.545 5.261 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3ccc(C(C)(C)C)cc3)cc(=O)c2c1 9660213 ZMVRUXBAAZJJSN-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic CCOc1ccc(-c2cnc(NCc3cccc(Oc4ccccc4)c3)n2CCOC)cc1 9720788 LNHDOLBQOJXCQX-UHFFFAOYSA-N 443.547 6.000 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nncn3-c3cc(C)ccc3C)cs2)cc1 9744236 FSYLQHUQJQXCJM-UHFFFAOYSA-N 449.605 5.123 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nc2c(oc3ccccc32)c1=O 9751784 NRXCKUQVGIECFO-UHFFFAOYSA-N 445.903 5.076 0 40 IKAB Cc1ccc2oc(-c3ccc(NC(=O)COc4ccc(C5CCCCC5)cc4)cc3)nc2c1 9762195 BFVMNRFVDBUTTR-UHFFFAOYSA-N 440.543 6.868 0 40 IKAB COc1ccc(CNc2ncc(-c3cccc(Cl)c3)n2C)cc1OCc1ccccc1 9763712 PQFRZWBZQSGVHU-UHFFFAOYSA-N 433.939 5.940 0 40 IKAB COc1ccc(-c2nnc(S[C@H](c3ccccc3)c3ccc(Cl)cc3)o2)c(OC)c1 9799867 FIGMGHVTKAGGFX-OAQYLSRUSA-N 438.936 6.289 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1 9834196 UHMMXFPXEYZWPS-UHFFFAOYSA-N 441.512 5.171 0 40 IKAB CC(C)Sc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cc1 10020356 FBNSSYRXYZOVOT-UHFFFAOYSA-N 437.565 6.178 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3C)c2C)cc1 10315211 VXQUDZVGVQFTLL-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4cccs4)n3)ccc21 12220046 JWXRTVVMSASKAK-UHFFFAOYSA-N 425.579 5.083 0 40 IKAB O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1ccccc1-c1ccccc1 12440900 NDGOVNLPIINHGV-UHFFFAOYSA-N 443.934 5.650 0 40 IKAB CCCc1nc(SCC(=O)Nc2ccccc2OCC)c2c(CC)c(C)sc2n1 12500074 NKTQEVXCEXSHCQ-UHFFFAOYSA-N 429.611 5.644 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nnnn3C3CC3)n2C2CCCCC2)cc1 12737249 MMSZAKGTWGGZMR-UHFFFAOYSA-N 437.617 5.362 0 40 IKAB COc1cc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)c(OC)cc1Cl 12766137 JHBGDWDXSVUOPY-UHFFFAOYSA-N 443.912 5.491 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 13113157 GDEFJZUCKRTOIB-KRWDZBQOSA-N 427.529 5.619 0 40 IKAB COc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1 13364528 SYYRCZAMNQXHAN-HXUWFJFHSA-N 427.838 5.878 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccccn1)c1cccc(Cl)c1 13502419 ADJUDZQDQJQPQP-DEOSSOPVSA-N 447.966 5.572 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 13513207 LIVXGYDERIEEOG-QHAWAJNXSA-N 439.298 5.045 0 40 IKAB C/C=C(\C)c1c(Cl)c(OC)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 14613586 FSINAZMQWFDQSD-VOTSOKGWSA-N 443.710 6.726 0 40 IKAB biogenic Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)c1 15911158 MIWPSALXGKTFJO-UHFFFAOYSA-N 436.512 5.239 0 40 IKAB CCOc1cc(CNCc2ccc(F)cc2)cc(Br)c1OCc1ccccc1 16688620 MNPAEKSYNPKIIU-UHFFFAOYSA-N 444.344 5.856 0 40 IKAB CNC(=O)/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=O)c1ccc(C)cc1 16804930 BAJRFUUJQRITRZ-UNOMPAQXSA-N 429.303 5.079 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2F)nc2c(-c3ccccc3)csc2c1=O 16845203 NZNLDFMCVVLMOC-UHFFFAOYSA-N 439.537 5.015 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c1 17094293 FINWFQHUPMVWKJ-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cccc(F)c4)ccc3o2)c(Cl)c1 19630713 IQWBZQQXPBUERO-UHFFFAOYSA-N 439.899 5.723 0 40 IKAB O=C1N[C@H](c2ccccc2OCc2ccc(F)cc2)Nc2sc(Cc3ccccc3)cc21 19641005 NCOSASZHVTZYFW-DEOSSOPVSA-N 444.531 5.911 0 40 IKAB CC(C)(CNC(=O)[C@]1(Cc2cc(C3CCCCC3)no2)CCCO1)c1ccc(F)cc1 19740072 FWFXNKVICJQTTB-RUZDIDTESA-N 428.548 5.047 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2ccccc2OC)c1 20352950 MMYBYKDFHMNDJT-VWLOTQADSA-N 432.520 5.259 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)c1ccc(/C=C/c4ccccc4)cc1)N(C)CC3)OCO2 20412089 VLOBZNQQGKVOCU-YVSHKSEASA-N 441.527 5.396 0 40 IKAB biogenic CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 21595953 VTHWEBFCAYASFY-UHFFFAOYSA-N 428.598 5.210 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)c(Cl)c2)cc1 22524792 SUKIFUFVMAYOTI-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)cc1C 22993815 ALIWGUIBELAXOL-UHFFFAOYSA-N 438.325 5.339 0 40 IKAB CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 27526145 FPDAHVMIDMBESE-UHFFFAOYSA-N 428.532 6.021 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)cc1 27792715 TXKYSAUYXNECMA-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CCCCNC(=O)c1cc2cc(N(CCC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 28209218 JLDLQPHYYWHZNY-UHFFFAOYSA-N 444.622 5.345 0 40 IKAB O[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)Cn1c2c(c3cccc(Cl)c31)CCCC2 28297137 NPYBJKAIWJSSGQ-CQSZACIVSA-N 447.888 5.603 0 40 IKAB COCCCn1c(S[C@@H](C)c2nc(-c3ccco3)no2)nnc1-c1ccccc1Cl 29737492 BYQDFGVKIHURBK-ZDUSSCGKSA-N 445.932 5.131 0 40 IKAB O=C(O)c1cccc([C@@H]2Nc3ccc(CCNc4ccccn4)cc3[C@H]3[C@@H]2[C@H]2CC[C@@H]3C2)c1 33821662 BECXVCFEHZTSAS-PQZCAHFCSA-N 439.559 5.731 0 40 IKAB COc1ccccc1N1CCN(CC[C@@](C)(C(=O)C2CCCCC2)c2ccccc2)CC1 33965293 GXVHRYDXBSTHCF-MUUNZHRXSA-N 434.624 5.315 0 40 IKAB O=C1/C(=C2\C(=O)c3cccc4c(Br)ccc2c34)Sc2c1ccc1ccccc21 34134108 SIUKOSVYIDIYBE-HIXSDJFHSA-N 443.321 6.652 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 35151439 HBSAXAGAFTVAMW-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB O=C(c1ccc2c(c1)OCCO2)C1CCN(C(=O)Nc2ccccc2-c2ccccc2)CC1 35314128 XAFUKHIWGMBGES-UHFFFAOYSA-N 442.515 5.252 0 40 IKAB Cc1cc([C@H](C)NC(=O)[C@H](NC(=O)c2ccc(Cl)cc2Cl)C(C)C)c(C)s1 40074250 UABATSUXJTVQQW-KPZWWZAWSA-N 427.397 5.304 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 44937317 NDMNYVOHCLUVSW-XMMPIXPASA-N 446.994 5.603 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1cccc(Cl)c1)CO3 58088639 XLONEKKEKOUECQ-UHFFFAOYSA-N 445.946 6.006 0 40 IKAB biogenic CCc1cc2c(N3CCC4(CC3)C[C@@H]4c3nnc(-c4cccc(F)c4)o3)ncnc2s1 71890505 CDSMQEFJBQYZSL-GOSISDBHSA-N 435.528 5.217 0 40 IKAB C[C@@H]1CCN(C(=O)Cc2csc(-c3cccnc3)n2)c2cc(C(F)(F)F)ccc2S1 71972961 WINMCWSZZGIIIZ-CYBMUJFWSA-N 449.523 5.684 0 40 IKAB c1ccc(-c2ccc(Cc3nn4c(C56CC7CC(CC(C7)C5)C6)nnc4s3)cc2)cc1 72333562 OCKQDNQTFATNGZ-UHFFFAOYSA-N 426.589 5.911 0 40 IKAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1cc(Br)ccc1Cl 90613660 QHBFVLWBBHHRLG-MRXNPFEDSA-N 442.787 5.237 0 40 IKAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O 107146134 MDPMFSADSSYKMA-XFAGBWLFSA-N 444.531 5.108 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2Cl)cc1 216352207 HACZWQQQMIKWPJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c(C)c1 219960265 IRYVMKIIQSEOOK-UHFFFAOYSA-N 426.604 6.319 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 222682156 PJXHDLNLOCACLR-LLVKDONJSA-N 448.177 5.006 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 223307968 DNDJXWJBFQXXAP-QFIPXVFZSA-N 429.004 5.303 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)cc2)cc1 223992687 VGTHSCNWALTQNZ-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)Nc1ccc(Sc2ccc(Cl)cc2)nc1 224046856 PYLZMNOLZAGGQB-UHFFFAOYSA-N 429.954 5.102 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c1 224107245 KXKBMTQDUONULE-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1Cl 224478868 GEMJYTJSIJGYHT-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1Cl 224483894 YJVZLNYAGCCONO-LJQANCHMSA-N 437.967 6.069 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(OC)c1 224588807 VUAUQULJRABTCS-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)c1 224855178 PTMUXHOKGHTBQG-ZEQRLZLVSA-N 448.592 5.193 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 224961284 IWCOBPSSTHFDII-HKWRFOASSA-N 442.993 5.081 0 40 IKAB O=C(c1ccc(NC(=S)NCCSCc2ccc(Cl)cc2)cc1)N1CCCCC1 225304170 AHIOLPBPHAALJS-UHFFFAOYSA-N 448.057 5.186 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225591220 SJHMCQNQZVJXRV-UHFFFAOYSA-N 428.857 5.026 0 40 IKAB CCCOc1ccccc1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225625161 NDVNTAHLIIXHBA-UHFFFAOYSA-N 430.923 6.067 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cccc(C)c1C 225640114 RHZAVJUVSDDSFJ-GCJKJVERSA-N 445.003 5.058 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c(C)c1 225751321 IVNHOWOMFTUDNY-MRXNPFEDSA-N 430.570 5.017 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(CC(=O)Nc3cccc4ccccc34)cc2)cc1 225983944 WWVLPIXHGLYJLU-UHFFFAOYSA-N 444.556 5.155 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4OC)o3)cc2c1 257245400 IPHRFRSIUUAMKW-HSZRJFAPSA-N 445.519 5.131 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)cc2c1 257296063 RBBQWJCPFIXXPQ-QHCPKHFHSA-N 433.483 5.262 0 40 IKAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257304432 SLQBSYKNNDHQBY-OAQYLSRUSA-N 440.975 5.218 0 40 IKAB CCn1cc(CN2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)c(C)n1 257324004 WMTSZFUIGKJVSD-OAQYLSRUSA-N 442.529 5.596 0 40 IKAB CC(C)n1c(CN2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)nc2ccccc21 257327858 XDANDSDJUJGPGF-UHFFFAOYSA-N 442.582 6.122 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 260755986 CQDVXTDWHGFQRT-TVNIXMEMSA-N 430.360 6.238 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 408623609 PDRTZARQXOQCEE-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB O=C(O)/C(=C/c1cccc(Cl)c1Cl)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408631696 AOGMDGBEBQVZLZ-JYRVWZFOSA-N 426.712 5.650 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(C)c3C)nn2-c2ccc(C)c(Cl)c2)c1 408697991 KTQLASWDRYUAMM-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)ccc1OCC(C)C 408810024 IAZMUTNVMYGPAC-UHFFFAOYSA-N 441.573 5.200 0 40 IKAB CCOc1ccc(NC(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1 408978915 OOSMMHUMSPNDFM-UHFFFAOYSA-N 438.491 5.663 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OC(=O)c3ccc(C)cc3)cc2)C(=O)O1 409002778 AHTRSHWYJPHARR-BKUYFWCQSA-N 447.874 5.221 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(Cl)c1 409116130 KUHUHNZWANHHQW-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 409410478 NFCJRBMCTMSAFP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB C[C@@H](N[C@@H]1CCCc2ccc(Br)cc21)c1ccc(NC(=O)NC2CC2)cc1 536153159 SEEJEIXQFUVITR-SPLOXXLWSA-N 428.374 5.461 0 40 IKAB CCCc1cc(C(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)no1 643578123 HFCKZFSFDKUWPD-UHFFFAOYSA-N 435.524 5.410 0 40 IKAB Cc1cccc(C(=O)N2CCCCCCN(C)C(=O)c3ccccc3O[C@H]3CCCC[C@H]32)c1 643582156 NBSXWJFHDQNRIW-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB O=C(c1cccc(Cl)c1)N1C[C@@H](c2ccccc2)[C@@]2(CCN(c3ccsc3)C2=O)C1 2055773098 VYTSDOGTYSXFNH-XUZZJYLKSA-N 436.964 5.064 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)c1 1300388 XSFLLMQFNGIVMT-UHFFFAOYSA-N 449.601 6.137 0 40 IKAB Cc1ccc(NC(=O)CSc2ccccc2NC(=O)c2ccc(Cl)cc2)cc1Cl 1332334 ZNDVOTZWOZDVIM-UHFFFAOYSA-N 445.371 6.285 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1Cl)N(C(=O)c1ccccn1)c1ccccc1 1339027 QJPRIUHXOQRXHV-XMMPIXPASA-N 447.966 5.572 0 40 IKAB O=C(CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4)c1ccccc1F 1339571 JTDVLNFQDBKZLE-UHFFFAOYSA-N 438.553 5.209 0 40 IKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccc(Br)cc3)c2c1C 1377371 JWQCCRWDVHUYSI-UHFFFAOYSA-N 448.411 5.679 0 40 IKAB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1cccc(Cl)c1 1699348 JWHODDNUTOXGCB-UHFFFAOYSA-N 430.934 6.320 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2204830 OCGVDAOEQZEXDF-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB Cc1c(OC(=O)c2ccccc2Cl)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 2205227 KUVIQGUMBURERF-UHFFFAOYSA-N 447.899 6.251 0 40 IKAB biogenic Cc1c(Cl)cccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 2453726 GJIWJQCQZSVHAJ-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3cccc(C)c3)c2cc1OC 2691361 NYTUWWIBPCHWPE-UHFFFAOYSA-N 427.479 5.716 0 40 IKAB aggregator COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2cccs2)n2ncnc2N3)cc1 2707301 XACJGYUUYIEBNA-GOTSBHOMSA-N 428.517 5.217 0 40 IKAB Cc1c(Cl)cnc(NC(=O)CSc2nnc(Nc3ccccc3)s2)c1Cl 2726239 DWMFESBSOAEQAS-UHFFFAOYSA-N 426.354 5.023 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1C 3423368 FIMRFLXMUBMLMK-UHFFFAOYSA-N 445.471 5.199 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 4079180 MFXRPKFYWKDYMI-GCWMNCCDSA-N 444.637 7.499 0 40 IKAB O=C(C1CCCCC1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)C1CCCCC1 4848636 NVCXVOXYWKTAQU-UHFFFAOYSA-N 427.614 5.105 0 40 IKAB CCOC(=O)c1ccc(NC(=S)c2c(C)c(CCc3ccccn3)n3ccccc23)cc1 6173826 DOTUVAAGKZVFKA-UHFFFAOYSA-N 443.572 5.392 0 40 IKAB CC[C@@H](C)NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 6631946 LIPPHDMICQMURW-PKPZWWHKSA-N 435.277 5.379 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 8395942 OOUBGMVQDRRIIS-REIAIGDLSA-N 433.533 5.115 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc(-c3cccs3)nc3ccccc23)cc1 8723984 ZMOKVSFYFGLLGA-AWEZNQCLSA-N 448.573 5.436 0 40 IKAB Fc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2Cc2ccccc2)cc1 8854060 LWLOUYJUFKICNP-SLMZUGIISA-N 428.454 6.655 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1cccc2ccccc12 8922011 NFFKBUGCXUFEEA-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB CCCCCCC1(O)[C@@H](C)[C@@H](c2ccc(Cl)cc2)N[C@H](c2ccc(Cl)cc2)[C@H]1C 9041946 IOJSASXMHFMQDT-SCQYUHHQSA-N 434.451 7.353 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccccc4)cs3)n2C(C)C)c1 9262820 IXYIPSWUDSNNLE-UHFFFAOYSA-N 449.605 5.689 0 40 IKAB CCOc1ccccc1N(C(=O)[C@H]1COc2ccccc2O1)c1nc2ccccc2s1 9284246 JAUVKYMLDVBDNC-OAQYLSRUSA-N 432.501 5.200 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)[C@@H](CC(=O)c2ccccc2)Nc2ccc(F)cc2)cc1 9371665 CDWCIJCYXBABAZ-WZONZLPQSA-N 433.479 5.002 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccs2)n2ncnc2N3)cc1 9489408 HKFMMXUUWLELPP-GOTSBHOMSA-N 428.517 5.298 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc(=O)oc2c1 9663865 CKQYLQCEDUBJDY-UHFFFAOYSA-N 425.513 5.641 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 9780369 CGGJPQBOGMMGRQ-FMSGJZPZSA-N 446.926 5.661 0 40 IKAB COC(=O)c1c(Oc2ccc(NC(C)=O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 9970892 RJQBUKMIUGGTJS-UHFFFAOYSA-N 439.471 5.348 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H](CC(C)C)N3C(=O)c4ccccc4C3=O)cc2)cc1 10013450 DBZOXYAHPCKLMB-DEOSSOPVSA-N 442.515 5.437 0 40 IKAB COc1cccc(NC(=O)C(=O)c2c(-c3ccc(OC)c(Cl)c3)cc3ccccn23)c1 10119224 FVXJALDJTUVMCG-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1NS(C)(=O)=O 10332942 KGQZWZNTFKADAF-UHFFFAOYSA-N 430.913 5.065 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)COc2ccc(-c3ccccc3)cc2Cl)c(C)c1 10851392 QFYCNNNDWNDFQT-UHFFFAOYSA-N 436.939 5.066 0 40 IKAB Cc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCc1ccccc1)[C@@H]3c1cccc(Cl)c1 12062501 VBIYLBFRYGYRIA-HSZRJFAPSA-N 429.903 5.543 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)c(Cl)c1 12192329 DXNNSHORKDCYCN-RSXGOPAZSA-N 445.349 7.389 0 40 IKAB CC(C)Cn1c(S[C@@H](C(N)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 12814907 YCQLXPYDPNBUDM-QGZVFWFLSA-N 435.380 5.227 0 40 IKAB CC(C)(C)NC(=O)c1ccc2c(c1)N(Cc1c(Cl)cccc1Cl)C(=O)C(C)(C)O2 12875236 ZFFBCOMCJZTPNI-UHFFFAOYSA-N 435.351 5.226 0 40 IKAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)cc1 12903111 XVGJSDHKQNHTNZ-INIZCTEOSA-N 427.529 5.619 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(CC(=O)Nc1ccccc1SC)CC2 12978566 UUQFUUWEZHASNJ-AREMUKBSSA-N 448.588 5.012 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)Nc2cc(-c3ccccc3)nn2-c2ccccc2)cc1 13134823 APYYEUNWEAWPCJ-UHFFFAOYSA-N 442.544 5.229 0 40 IKAB COc1cc(-c2nc(C)c(C(=O)Nc3nc4ccccc4s3)s2)cc(OC)c1OC 13686646 PQOOUMXESPYPRV-UHFFFAOYSA-N 441.534 5.006 0 40 IKAB Cc1[nH]nc2c1[C@@H](c1ccc(Cl)cc1Cl)N(CCc1c[nH]c3ccccc13)C2=O 13690534 QCTJPMWJLQNBEC-OAQYLSRUSA-N 425.319 5.294 0 40 IKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13785828 IWCNNYJWSBHTAW-BKUYFWCQSA-N 434.278 6.751 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2CCCN(C)C)cc1Br 13810010 BDFUGVFIPSGWIV-LNVKXUELSA-N 446.414 5.172 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc([C@H](C)Oc2ccccc2Cl)n1CC 13870845 AXSCZMCKUKIVGR-HNNXBMFYSA-N 444.988 5.385 0 40 IKAB COc1cc(CC(=O)Nc2nc(-c3ccc(NC(=O)c4ccco4)cc3)cs2)ccc1C 14020020 WYZBHYVDAIIFGT-UHFFFAOYSA-N 447.516 5.154 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2Cl)cc1 14153606 QXJAMMSDXXRXOA-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)c(C)c1 14269796 WQEINNVEALKTDC-UXBLZVDNSA-N 445.371 6.397 0 40 IKAB Cc1nc2ccccc2nc1-c1cc(-c2ccccc2)c2cc(Br)ccc2n1 16265588 CGKBHWVPMPKKGT-UHFFFAOYSA-N 426.317 6.583 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2cccc3ccccc23)sc2ccccc12 16687740 JAOPHAIVFJKEPZ-UHFFFAOYSA-N 434.542 5.358 0 40 IKAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(F)cc1 16688523 UQKPFEDAQBJBJO-UHFFFAOYSA-N 443.902 5.475 0 40 IKAB Cc1sc2c(c1C)c(=O)nc1n2[C@@H](c2ccccc2)[C@@H](Sc2ccccc2)CS1 16779182 FPHWAICXXZYOFX-ICSRJNTNSA-N 436.627 5.931 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(/C=C3/N=C(c4cccc(F)c4)OC3=O)cc2)cc1 17086207 KUDVKLTUZFWRBY-HZHRSRAPSA-N 443.474 5.687 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc(Cl)c2)o1 17096181 FCDIIQNJYIJFDV-UHFFFAOYSA-N 428.875 6.338 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(-c2cccc(Cl)c2)o1 17099213 AJKDYYTUOWEPGL-UHFFFAOYSA-N 434.845 6.471 0 40 IKAB COc1ccccc1CN1CC[C@@H]2[C@H](C1)[C@@H](c1ccsc1)CN2C(=O)C1CCCCC1 19570534 BINZODGKSNFZEI-WXFUMESZSA-N 438.637 5.154 0 40 IKAB COc1ccc(SCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1OC 22533719 BJDNNGSCUHMCCX-UHFFFAOYSA-N 441.936 5.319 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)Nc1nc(-c2ccccc2)cs1 23647403 RQELLUGITHGJEI-UHFFFAOYSA-N 425.564 5.136 0 40 IKAB Cc1noc([C@@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)n1 24434106 CAMWGEQXUGLSGW-LLVKDONJSA-N 438.384 6.302 0 40 IKAB Cc1cc(OCCCC(=O)Nc2ccc(C(=O)Nc3nccs3)cc2)ccc1Cl 24912754 YJGJZYSZNDKFAU-UHFFFAOYSA-N 429.929 5.155 0 40 IKAB CCCCCC(=O)OC[C@H](O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1 26897174 QZVFMGPBMKBFFB-UIOOFZCWSA-N 425.613 5.588 0 40 IKAB Cc1ccccc1-n1c(CNc2ccccc2)nnc1SCC(=O)Nc1ccccc1F 27752909 QEZCIXOYOWNZQN-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3cnccc3o2)c1)c1sc2ccccc2c1Cl 32089525 NLBDCEINMXEWTH-UHFFFAOYSA-N 440.311 6.664 0 40 IKAB Cc1cc(C(=O)CSCc2nc(-c3cccc(C(F)(F)F)c3)no2)c(C)n1C1CC1 32779149 PPTVRODIQITNLP-UHFFFAOYSA-N 435.471 5.625 0 40 IKAB CCc1ccc([C@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1 32934832 ITWATXILPAXGNQ-HSZRJFAPSA-N 428.919 6.277 0 40 IKAB Cc1ccn2c(=O)cc(COc3cc(NC(=O)Nc4cccc(C)c4C)ccc3C)nc2c1 33068082 LPPINSNOMUTIQO-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccccc2Cl)n1 33325073 HBXCPMGMJQEDMM-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1ccccc1F 35400540 XCMNIHKLUOZCAP-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB CC1CCN([C@H](CNC(=O)Cc2csc(-c3ccsc3)n2)c2cccs2)CC1 36395312 SQDHASJEKBGIJK-GOSISDBHSA-N 431.652 5.065 0 40 IKAB Cc1ccc(C)c(-c2csc(-c3nnn(-c4ccc(Br)cc4F)c3N)n2)c1 49001861 XWQACNWSEPUBGO-UHFFFAOYSA-N 444.333 5.158 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1Cl)CO3 58088618 OWSNMXXUEKLHCN-UHFFFAOYSA-N 445.946 6.006 0 40 IKAB biogenic CSc1cccc(Nc2c(C(=O)N3CCSCC3)cnc3ccc(Cl)cc23)c1 64658290 PGZRNEJBYYHGAZ-UHFFFAOYSA-N 429.998 5.543 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21 72232602 XJAUPAVSHOPCHG-MRFFXTKBSA-N 429.351 6.407 0 40 IKAB Cc1cccc(-n2c(SCc3cccc(F)c3)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 73686444 BKFHYEICXIJVRS-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB O=C(NCC1(c2ccc(Cl)cc2Cl)CCOCC1)Nc1ccc(F)c(F)c1F 78698477 KCUPTGXKLBLZQB-UHFFFAOYSA-N 433.257 5.281 0 40 IKAB Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)c1ccc(Cl)s1 84224950 YQXUADNSEKHWPS-UHFFFAOYSA-N 427.932 6.699 0 40 IKAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 84363760 RHXIOUPFWSUEBZ-JSGCOSHPSA-N 443.263 5.487 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CN[C@@H](c3ccccc3)c3cccs3)cs2)cc1 89284885 GPHUIZGUTRFXED-DEOSSOPVSA-N 447.629 6.331 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)n2)cc1OC 101246315 DUGYWDXJMJCOLK-QRQCRPRQSA-N 435.490 5.585 0 40 IKAB C=C(CC(=O)O)C(=O)OCCCCCCCCCCCCCCCCCCCCCC 200058150 NXUJQEDEZOWYEM-UHFFFAOYSA-N 438.693 8.382 0 40 IKAB O=C(NC1CCN(c2nc(-c3cccnc3)cs2)CC1)c1ccc(-c2cccs2)cc1 206985899 ABSJHQFDMSTATD-UHFFFAOYSA-N 446.601 5.332 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1Cc1ccccc1 214037776 ZHSZRRRBHCQXGK-HYARGMPZSA-N 435.932 6.156 0 40 IKAB COc1ccc(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c(Cl)c1 215749179 RQMSIWSWEICJRO-SFQUDFHCSA-N 442.302 5.058 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)ccc3C)c(Cl)c2)cc1 216256236 FFTPTSNGZAKBMN-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)c2ccccc2)c(Br)c1 218865905 HFOBBVIVFRJWAC-UHFFFAOYSA-N 438.321 5.260 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222894408 WTEMCKFANLCLME-PMACEKPBSA-N 432.376 6.031 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 223260930 SEFHUFUGNGWPHF-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 223354616 IHGHTEDRBXGBTK-MHZLTWQESA-N 428.576 5.162 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1cccnc1 223374590 CBQJTVITEXIMMD-JWQCQUIFSA-N 439.588 5.057 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223755709 XNVLJVKDFUZRCO-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C 223892501 WQBWKDLKFJONJH-BJKOFHAPSA-N 433.625 5.324 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 224264422 PJQXDWRYZBPRPO-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc2ccccc12 224308862 BEDHPQAAXQJPIC-GOSISDBHSA-N 429.491 6.058 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224406710 CUEAYQGFANBTRC-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224771529 QMRXQTPEGKPNBV-AREMUKBSSA-N 448.582 5.491 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C(C)C 224866740 CQIZSFUDQJWYJP-YADHBBJMSA-N 441.000 5.617 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(Cl)c3)o2)c1 224901674 IGSXIFIPPHOMFZ-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 225509652 JGLDTGCYSXZTRK-FQEVSTJZSA-N 434.914 6.743 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 225534750 LUTYVVFTWHXZGS-UHFFFAOYSA-N 438.524 5.068 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225587393 YOIRRBIDYUBRIY-AVRDEDQJSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225641707 OVONOEKGUDXFNZ-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1)c1ccccc1 225778807 DDDYQZCSPYTIRD-RXSCDKOLSA-N 436.511 5.265 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 225813140 KSRZBXWEGJGNRN-UHFFFAOYSA-N 433.401 5.119 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225864544 XPGQDZIWUSBHGL-UHFFFAOYSA-N 445.028 6.057 0 40 IKAB CC(C)N(c1ccc(N)cc1C(=O)Nc1c(F)cc(F)cc1Br)C(C)C 226324636 IKECHUTZWNNKJO-UHFFFAOYSA-N 426.305 5.185 0 40 IKAB O=C(O)CCc1cc(Cl)c(OCc2cccc(Br)c2)c(Br)c1 226342211 QJQJVIABJBJWSY-UHFFFAOYSA-N 448.538 5.461 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 408555498 XTAHTVCAGOSOJE-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1F 408558411 UMCRJJRIWWWYQA-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)c(C)c1 408563159 UJWCPTYXKNBXHR-GYHWCHFESA-N 443.410 5.919 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1)c1cc2c(ccc3ccccc32)o1 408616688 HLLKNQWCJXOMJB-UHFFFAOYSA-N 448.544 5.403 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 408679321 VXAVZUOEAIEUFT-UHFFFAOYSA-N 448.906 5.488 0 40 IKAB Cc1cccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(Cl)c2)c1C 408697888 MGTFRXPAZZEBDU-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)c(C)c2)cc1 408698026 LEBDFKYORZJEGZ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O 408706721 CQMLKFKNVFTHND-JOCHJYFZSA-N 446.978 5.340 0 40 IKAB O=C(CCNC(=O)C(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 408739130 YBAZBQSBKIQMEY-UHFFFAOYSA-N 441.556 5.087 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)c2ccccc21 409136846 VBDYLKUGXQZDJJ-JCMHNJIXSA-N 433.935 6.225 0 40 IKAB COc1ccc([C@@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604418929 RJJUTPSMBSETMR-REWPJTCUSA-N 436.556 5.214 0 40 IKAB Cc1ccc(CC(=O)N2CCCCCCCCN(C(=O)C3CC3)c3ccccc3C2)cc1 643569782 RQRATNCJFUYZJR-UHFFFAOYSA-N 432.608 5.664 0 40 IKAB C[C@H]1CCCN(C(=O)c2cc(Cl)ccc2NC(=O)c2ccc(Cl)cc2Cl)C1 644185 KWCZNOWDQRRZIQ-LBPRGKRZSA-N 425.743 5.771 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(C(C)(C)C)cc1 1047490 TVLJUWIKNNFMLT-UHFFFAOYSA-N 432.952 5.303 0 40 IKAB O=C1N=C(O)/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1c1ccc(O)cc1 1177600 TUOVSEAFTNPTRV-MOSHPQCFSA-N 448.862 5.131 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2N1C(=O)c1ccc(F)cc1 1385969 PRRFPOHEZSLQPE-CQSZACIVSA-N 443.305 5.715 0 40 IKAB COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccc(OC)cc1)n1c-3nc2ccccc21 1424584 NQFVMPSUWKLVOJ-HSZRJFAPSA-N 442.544 5.749 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Oc4cccc(C)c4)cc3)c3ccccc3n2)cc1 2078816 UYDJIAQRQDAKFQ-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)ccc2Cl)cc1 2145564 YOUFRTMOMZMVCY-UHFFFAOYSA-N 425.337 5.077 0 40 IKAB O=C(NCc1ccccc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 2227945 WOJJERBNUDMKTD-OCCSQVGLSA-N 440.878 5.188 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccccc2OC)cc1Cl 2247739 ORAIXWMUSSDJBN-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB CCN(CC)c1ccc(Nc2nc(Cl)nc(Nc3ccc(N(CC)CC)cc3)n2)cc1 2292308 NMUILEBEYVXUPA-UHFFFAOYSA-N 439.995 5.705 0 40 IKAB O=C(O)c1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 2340718 JCJBFEABTLEDPC-UHFFFAOYSA-N 447.288 5.615 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3 2342708 YJMYZXUJURBWOY-UHFFFAOYSA-N 445.613 6.276 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1cccc(Cl)c1 2412015 CAGPMJLKUSAECK-FQEVSTJZSA-N 446.330 5.460 0 40 IKAB O=C(COC(=O)c1ccccc1CCc1ccccc1)c1ccc(Br)s1 2629916 NAGNNMHIJPSSGM-UHFFFAOYSA-N 429.335 5.336 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)c1 2690637 RMLVKGYFLOLLKY-UHFFFAOYSA-N 443.890 5.642 0 40 IKAB COc1ccccc1[C@@H]1C2=C(Nc3ncnn31)c1cc(Cl)ccc1O[C@H]2c1cccs1 2707463 IIABCXAQRXQWLR-YADHBBJMSA-N 448.935 5.562 0 40 IKAB O=C(N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 3111581 SQFNCEKTEKNPCN-CQSZACIVSA-N 440.527 5.126 0 40 IKAB Clc1ccc(-c2c(-c3nnnn3-c3ccccc3)cnn2-c2ccc(Cl)cc2)cc1 3120422 DTSBZWGEOQHUPH-UHFFFAOYSA-N 433.302 5.489 0 40 IKAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)Nc1ccccc1OC(F)F 3301057 UIJALNBWBLJWRS-OAQYLSRUSA-N 443.471 5.303 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)o1)Nc1ccc(-c2ccccc2)cc1 3362157 KSUUULNQCZLCNF-UHFFFAOYSA-N 426.501 5.616 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 3433095 QUCAMWPEVGHVOD-UHFFFAOYSA-N 441.999 5.850 0 40 IKAB COc1cccc(CN[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)c1 3476720 AREIIBMOMBLEJN-OAQYLSRUSA-N 448.872 5.837 0 40 IKAB CC(C)c1ccc([C@H]2SCC(=O)N2c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4556352 LIODOMVPIALZOX-MOHDYROWSA-N 431.645 7.056 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@H]1CCCO1 9208630 WHWXMYFYJJKUDM-IVZQSRNASA-N 431.517 5.302 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 9219010 DEEDDRKXVUBATM-NSHDSACASA-N 429.958 5.898 0 40 IKAB Nc1c(C(=O)c2ccc(Br)cc2)sc2nc3c(c(-c4ccco4)c12)CCC3 9375467 GXCMUKDWWQAKSQ-UHFFFAOYSA-N 439.334 5.621 0 40 IKAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1ccccc1C(F)(F)F 9414607 YSTCXSKXGZICPL-LJQANCHMSA-N 446.450 5.507 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nnc(-c3cccs3)n2C2CC2)c2ccccc2S1 9495547 GNIHEJJHOLKQCQ-CQSZACIVSA-N 442.635 5.351 0 40 IKAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)Nc2cccc(-c3csc(C)n3)c2)c1 9516048 KMTZYDJWTIWLDQ-UHFFFAOYSA-N 449.605 5.355 0 40 IKAB Cc1ccc(C(=O)C[C@H](C(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 9581413 UUNDREMLDCCBME-HSZRJFAPSA-N 440.948 5.255 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1C 9591685 OHNGYUKWDGTTJM-KRWDZBQOSA-N 447.918 6.340 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc12 9594571 KAESJRAEFGDPGW-UHFFFAOYSA-N 438.622 5.692 0 40 IKAB C[C@H](c1ccccc1)n1cnc2cc(NC(=O)c3sc4ccccc4c3Cl)ccc21 9614326 JFIKFLBHVXGCIU-OAHLLOKOSA-N 431.948 6.766 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 9850713 GRTKOMNUXFCLPL-HNNXBMFYSA-N 425.315 5.237 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2cccc(C)c2)c2ccc(OC(=O)c3ccc(F)cc3)cc21 10013961 VUXUBGRWFYWMNO-UHFFFAOYSA-N 429.491 6.196 0 40 IKAB COc1cc2c(cc1NC(=O)CNc1ccccc1Br)oc1ccccc12 11621386 KEKFGHJDFBESHL-UHFFFAOYSA-N 425.282 5.408 0 40 IKAB O=C(Nc1ccc(-c2ccc3nnc(-c4cccs4)n3n2)cc1)c1ccccc1Cl 11665513 AHNBZVCQYAXWEL-UHFFFAOYSA-N 431.908 5.426 0 40 IKAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2ccccc2F)n(C(C)C)c1C 12389033 JKHLKQAREZBXDH-UHFFFAOYSA-N 432.492 5.049 0 40 IKAB CCN(CC)Cc1nc(N[C@@H](c2ccccc2)c2ccccn2)c2c(C)c(C)sc2n1 12585751 LSNPWDXSCGRYGE-QHCPKHFHSA-N 431.609 5.746 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N(C2=CCCCC2)C2CC2)n1-c1ccccc1 12609617 YMSBCVBRROTGAR-UHFFFAOYSA-N 434.565 5.377 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccs2)c1 13025558 DIPYRSPJOQZFNM-HSZRJFAPSA-N 436.577 5.135 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)COc2ccc(C3SCCCS3)cc2)c(C)c1 13028926 VEHHDUKELBWTCV-UHFFFAOYSA-N 445.606 5.041 0 40 IKAB CC(C)(C)c1ccc(OCCCC(=O)Nc2sc3c(c2C(N)=O)CCCCC3)cc1 13097171 IFNZNFFTRJXDQN-UHFFFAOYSA-N 428.598 5.211 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)c1 13098765 XLNRYXJDVJTMCK-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB O=C(NCc1cccs1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992085 NPIYHXIXLIEGMY-UHFFFAOYSA-N 433.583 6.078 0 40 IKAB O=C(CSc1cccc2cccnc12)Nc1ccc(Cl)cc1C(=O)c1ccccc1 16476962 BLJGHKUZZOACNA-UHFFFAOYSA-N 432.932 5.850 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)cc1 17095937 AGDXCDACWLMBDR-GOSISDBHSA-N 428.532 6.643 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 17096374 IMAXROXTZIPQDD-OAHLLOKOSA-N 429.347 6.885 0 40 IKAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccccc1-c1nc2ccccc2s1 17367853 XHTHARRROZWNGO-UHFFFAOYSA-N 433.583 6.330 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 17969447 IUTLYTNICBKNHE-DSITVLBTSA-N 440.543 5.031 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 19636596 OJHLFVAKSIQPCI-SFHVURJKSA-N 442.559 6.951 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)cc1 19636600 IQTOSRMYFCYRAW-LJQANCHMSA-N 442.559 7.149 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C(C)C)ccc4o3)cc2)c1 19638890 ZJUVWHHPKHSIAI-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1cccc(OCC(C)C)c1 19641050 MXPVNHOENSREAF-UHFFFAOYSA-N 444.531 6.407 0 40 IKAB CCN1C(=O)COc2ccc(-c3nc(NC(=O)CCC4CCCCC4)sc3C)cc21 19796513 YAHQGJXOKJGXAS-UHFFFAOYSA-N 427.570 5.163 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCCCC3)cc1 20152264 IIUARWKEZHHRIH-UHFFFAOYSA-N 431.388 6.235 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@@H]1CCCC[C@H]21 20296007 MAXLXFSSOLYCRP-LZCXECNNSA-N 447.531 6.003 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@@H](C)c1cccc(Br)c1 22246155 SAPZHNQOCIZUFR-NSHDSACASA-N 434.334 5.588 0 40 IKAB CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 30854409 RPHNVWQITAZSEW-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB O=C(Nc1nc(-c2cccc(C(F)(F)F)c2)cs1)c1cncc(Br)c1 31182667 XOGIEZKZIXSRFY-UHFFFAOYSA-N 428.233 5.239 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3cnccc3o2)ccc1Cl 32088625 XUDCJYUUAPLNPO-UHFFFAOYSA-N 429.863 5.957 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)COc3ccccc3Cl)sc2c1 32118725 HQCIXBGPAMXKJA-UHFFFAOYSA-N 433.986 5.184 0 40 IKAB COc1ccc(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1Cl 33862780 ACZHZWYJZICHNM-UHFFFAOYSA-N 445.780 5.997 0 40 IKAB CC1=C[C@@H](CNC(=O)Nc2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442799 NGIDFQFBAZNMCF-FUDKSRODSA-N 445.567 5.350 0 40 IKAB biogenic,in-vitro Cc1oc(-c2ccccc2)nc1CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 48272420 AFZUTMCKOPVXAQ-HXUWFJFHSA-N 430.335 5.560 0 40 IKAB CCOC(=O)c1cccc(Nc2c(C(=O)N3CCCC[C@@H]3CC)cnc3nc(C)ccc23)c1 49005127 FQYAJIBBOGQZPD-FQEVSTJZSA-N 446.551 5.263 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4C)[C@H]2C3(Cl)Cl)cc1 100528444 YFTAIBWAZMMXLG-WXFUMESZSA-N 425.355 6.617 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1C 101488894 BEIVSWLSNOTJGV-UHFFFAOYSA-N 425.463 5.736 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3cccc(C)c3)C2=O)cc1 106708271 WAFNEHHEBVERIC-IWIPYMOSSA-N 429.541 6.119 0 40 IKAB Cc1ccccc1C(=O)N[C@H](C)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 107933200 GCIXBBPHBMLQRW-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB CCCCCC[C@@H](C)Oc1c(F)cc(C2CCC(C3CCC(CCC)CC3)CC2)cc1F 113103657 VDXVHNIYCHTFIC-VWWJWQJWSA-N 448.682 9.583 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1C 113965275 SEJBPCTZZUHVQV-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCCCCC3)ccc2Cl)c(C)c1 216423186 GYMACIIKGASZEU-GOSISDBHSA-N 449.016 5.013 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 216468040 GPBKXXMXOMILHU-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219472801 ILAKPFBDCMLTRZ-OAQYLSRUSA-N 428.532 5.307 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222821538 YFOIAOAWKPCINW-GOSISDBHSA-N 445.003 5.174 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223184806 RZANQXBSMIORGA-RUZDIDTESA-N 448.994 5.415 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223362125 GFGRSTYBYLYNAS-RPWUZVMVSA-N 445.544 5.506 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCc1ccccc1OC)c1ccccc1 223483446 OPXRBFPNSCUMSR-SANMLTNESA-N 448.538 5.021 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224030710 MNEJDHGNYXMJQY-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccc(C)cc1 224058268 BHBMBCWTEZGGEY-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224325032 SNWNVKRORIGUAW-XMMPIXPASA-N 441.015 5.366 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 224630024 KCURNTCJLMRFCN-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224676581 YMUNIWWFUKYXOM-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225012264 OWLBNRJBHXROAS-DHIUTWEWSA-N 435.618 6.049 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)C 225061116 YXILBYSUXPDJRJ-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCC2)ccc1O[C@@H](C)CC 225683268 DKGOAGROKHYKAL-KRWDZBQOSA-N 427.516 5.630 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 227146095 OFTSUUMPUGLMGY-QPJJXVBHSA-N 449.707 6.044 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1C(=O)NC1CCCCC1 408550784 HFLHTHUOWIBYHQ-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB Cc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2Cl)S(=O)(=O)c2ccc(C)cc2)cc1 408684253 NCYPMPINEGVJNQ-HSZRJFAPSA-N 447.383 6.398 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1ccccc1 408699203 SFDIWQQMWKVZPN-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 408719142 HKUMCPGUSVJXBT-UAPGQXJBSA-N 447.534 5.321 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(C(C)(C)C)cc3)sc2-c2ccccc2)cc1 408722113 DYYWIOYOIONRPQ-UHFFFAOYSA-N 442.584 7.036 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2cccc(Cl)c2Cl)C1=O 408800533 NRWPAGKEPUQMHM-CKSOJSIGSA-N 446.423 7.047 0 40 IKAB CCc1sc2nc(SCc3ccc(Cl)cc3)n(-c3ccc(C)cc3)c(=O)c2c1C 409113472 GETDZCCXYQWOAT-UHFFFAOYSA-N 441.021 6.572 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1 409178838 PGFUFXVQBSWXLI-UHFFFAOYSA-N 430.529 5.958 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409182287 KCJMVXJVTATJIU-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1 409206342 UZSHRKCNKZHEFT-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cc(-c3ccccc3)ccc2Cl)c1)c1ccncc1 518371414 SBFSBYYUPBKRTP-UHFFFAOYSA-N 427.891 5.907 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 1848355212 NBKMIEMKFOUIHD-QHCPKHFHSA-N 441.550 5.550 0 40 IKAB Cc1cc(-c2nc(-c3cc(C)c(N)c(C)c3)nc(-c3cc(C)c(N)c(C)c3)n2)cc(C)c1N 2237365283 BKCACCKQLQJWDK-UHFFFAOYSA-N 438.579 5.470 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900650 VBHKIQWTGIEQTC-AWEZNQCLSA-N 445.466 5.484 0 40 IKAB O=C(Nc1ccc(I)cc1)c1sc2cc(Cl)ccc2c1Cl 911164 QEJKXCDVDXZPIM-UHFFFAOYSA-N 448.112 6.065 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1 931883 ZZFHTOVAVFCKTP-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327156 YGCWCRDJTMMQSA-UHFFFAOYSA-N 429.495 5.464 0 40 IKAB C1=C(c2ccccc2)N(CCc2ccccc2)C(c2ccccc2)=CN1Cc1ccccc1 1731066 SCUPTIYZDUPTIN-UHFFFAOYSA-N 428.579 7.044 0 40 IKAB CC(C)(C)c1cc(OC(=O)CCc2ccccc2)ccc1OC(=O)CCc1ccccc1 2061894 NXYBIQIHKMLWJX-UHFFFAOYSA-N 430.544 6.061 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1cccc2ccccc12 2267587 IOZVWFIXHLOVHZ-UHFFFAOYSA-N 449.622 7.020 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc(Cl)c4C)c23)cc1 2384783 ULHUYNPKSOLSKS-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB COc1ccc(Oc2c(C)oc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1 2405508 XHIINOLOZLHZBA-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic COc1cc(C(=O)NCc2cccs2)cc(Br)c1OCc1ccccc1 2644982 COLVVTVUDFBKMI-UHFFFAOYSA-N 432.339 5.028 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2ccccc2)sc(C)c1-c1ccc(F)cc1 2768885 GTQRPHMTSGOOOB-AWEZNQCLSA-N 427.497 5.445 0 40 IKAB O=C(CSc1nc(NCCc2ccccc2)c2ccccc2n1)Nc1ccccc1Cl 2941520 XJZGOFAFMURLHG-UHFFFAOYSA-N 448.979 5.669 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccccc2)cc1 3109766 YGLJIPDALFPTEQ-UHFFFAOYSA-N 438.936 5.748 0 40 IKAB O=P1(Nc2ccc(SC(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3212469 MHANDZLTSCHVCX-UHFFFAOYSA-N 441.439 7.719 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)c1ccc(Cl)s1 3249569 AIURQDNYLVCERX-UHFFFAOYSA-N 430.913 5.215 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 3354878 OXEBXKDKKCQMQW-NRFANRHFSA-N 434.539 6.021 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1[C@H](C)c1ccccc1)C(=O)N(C)c1ccccc1 3374141 WWKDHMZULNNLAO-MOPGFXCFSA-N 443.572 5.149 0 40 IKAB c1ccc(N(c2ccccc2)c2nc(N3CCCCC3)nc(-n3nnc4ccccc43)n2)cc1 3772094 GKKHEZWFHBCKDK-UHFFFAOYSA-N 448.534 5.066 0 40 IKAB Cc1ccc(S[C@@H](C)/C=C\NNC2=NN=C(c3ccccc3)[C@@H](c3ccccc3)N2)cc1 5809035 XVFLOSRILJBFTA-QXTFVTEWSA-N 441.604 5.188 0 40 IKAB O=S(=O)(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccc2c3c(cccc13)CC2 5942017 ICQIHFVAHWOOCI-UHFFFAOYSA-N 431.542 5.115 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc3c(c2)OCO3)n1-c1ccc(Br)cc1 8817916 OBTQBWLQCLLGPK-WUXMJOGZSA-N 447.288 5.047 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccc(Cl)cc3)CC2)cc1C 8832488 LNRGIAGDZKGARW-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)cc1 9355432 FYOSQKPOQONCFE-GDLZYMKVSA-N 446.525 7.028 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(Br)cc2)c2oc3ccccc3c2n1 9479424 HDLSPGNKFXVRKS-UHFFFAOYSA-N 442.338 5.432 0 40 IKAB COc1cc(OC)cc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)o2)c1 9508955 KKUYZHOFROTVTC-UHFFFAOYSA-N 427.309 5.232 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1c(S)n(-c2cccc(Cl)c2)c2cccc[n+]12 9562547 RBMBFFMKGPNNPI-UHFFFAOYSA-O 448.877 5.429 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1cc2ccccc2o1 9579326 JOTBQPXTYDHNDW-UHFFFAOYSA-N 439.924 5.567 0 40 IKAB Cc1ccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674124 JDZUFRZRTISSPC-UHFFFAOYSA-N 437.952 5.707 0 40 IKAB Brc1cc2c(cc1CSc1nnc(-c3cccs3)n1C1CC1)OCO2 9817565 HVFMEADELIKYDW-UHFFFAOYSA-N 436.356 5.125 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(C3CCCCC3)cc2)sc2c1CCCC2 10013793 BUHXKMKJOIWRPS-UHFFFAOYSA-N 441.593 5.869 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 12274449 OEHIOTAWLWKXRI-UHFFFAOYSA-N 443.894 5.598 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3ccc(C)c(C)c3)c3ccccc3C2=O)cc1 12311973 VPZXOEQOXCPJFL-JLPGSUDCSA-N 440.499 5.120 0 40 IKAB S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(-c2ccc(Cl)cc2)n1-c1ccccc1 12376177 TZVFCHXVAAKTCJ-OAQYLSRUSA-N 447.007 6.171 0 40 IKAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)c2ccc(O)cc2)cc1 12462169 UJNKMRYMTHUQTI-UHFFFAOYSA-N 434.948 6.182 0 40 IKAB Cc1noc(C)c1CCC(=O)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 12576896 VBXDDSBRFNYWQR-OAQYLSRUSA-N 442.441 5.025 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(C4SCCS4)cc3)n2)cc1F 12622169 GTBONRLKLHYFDK-UHFFFAOYSA-N 432.567 5.689 0 40 IKAB O=C(C[C@@](O)(c1nc2ccccc2s1)C(F)(F)F)c1cccc(Br)c1 12769521 VSAJZYCMRVOIFS-MRXNPFEDSA-N 430.245 5.082 0 40 IKAB CC(=O)N(c1nc(CSc2ncnc3sccc23)cs1)c1c(C)cccc1C 12940251 MJMUYLMNNYVXHG-UHFFFAOYSA-N 426.592 5.742 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cccc(SC)c3)C2)c2ccccc12 12952959 QDCBLYFDVCHEBA-KRWDZBQOSA-N 434.561 5.061 0 40 IKAB Cc1cc(C)n(-c2ccc(Nc3ccc(NC(=O)c4c(F)cccc4Cl)cc3)nn2)n1 13009849 VBKOPRNEYVBWMG-UHFFFAOYSA-N 436.878 5.068 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)/C=C/c3ccc(Cl)cc3)c2)cc1 13628637 ZFGDMWBFRYACEN-CXUHLZMHSA-N 432.951 6.542 0 40 IKAB O=C1C[C@@H](c2ccco2)Cc2nc3nc(SCc4cccc5ccccc45)nn3cc21 13634343 BUKINVRCMYLRJM-KRWDZBQOSA-N 426.501 5.076 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 13758936 UUDQEAVGXKAQMJ-LJQANCHMSA-N 444.245 5.577 0 40 IKAB CCOC(=O)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CC[C@H](C(C)(C)C)C2 13958592 BUQOUNYTOWJMNS-IGLNGXFKSA-N 443.653 6.231 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)nnc1-c1ccccc1C 14081768 FUVPRQDCHJBXKI-UHFFFAOYSA-N 449.605 5.436 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3c(C)c(C(=O)c4cccc(OC)c4)oc3c2)c1 15729408 OQHMGJVKXCGDCC-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic COc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nc3ccccc32)cc1 16035689 HOAIZHUTBPURGG-UHFFFAOYSA-N 437.952 5.727 0 40 IKAB O=C(Cc1ccccc1)Sc1sc(=S)sc1SC(=O)Cc1ccccc1 16478643 PEFOASUUMMIBHN-UHFFFAOYSA-N 434.654 6.262 0 40 IKAB CCOc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1 16688637 VPPWUKIGQVYOPQ-UHFFFAOYSA-N 425.912 5.336 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Cl)cc1)c1ccccc1Cl 16789442 MTKGLITUYXYGSF-UHFFFAOYSA-N 441.343 5.611 0 40 IKAB COc1ccc(CN(Cc2cccnc2)Cc2ccccc2F)cc1Cn1nc(C)cc1C 19574392 IZZNQYOWSYMYHD-UHFFFAOYSA-N 444.554 5.293 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 19648287 FGQPHAKHRFMUKW-KRWDZBQOSA-N 448.950 6.988 0 40 IKAB Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)c1 19893503 XFNLXYCLRZTDIB-IFMALSPDSA-N 429.734 6.889 0 40 IKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Cl)c(Cl)c2)=NC12CCCCCC2 20152233 BRVWXHZJJMJHFB-UHFFFAOYSA-N 449.378 6.456 0 40 IKAB O=C1N(CC2CCCCC2)c2ccccc2[C@]12CC(O)=Nc1c2cnn1-c1ccccc1 20717750 SXCSPBBLYGPHOG-SANMLTNESA-N 426.520 5.077 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(OC)cc2)cc1 20970050 ZTIBLFOUFUONBE-VWLOTQADSA-N 438.531 5.535 0 40 IKAB Cc1ccc([C@@H](c2ccccc2)N2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)cc1 22508433 GMTITNFRUQRUIS-GDLZYMKVSA-N 437.587 5.343 0 40 IKAB Clc1ccccc1-c1cc(CN2CCN(C(c3ccccc3)c3ccccc3)CC2)no1 22924103 QLZIXLSQKORVGD-UHFFFAOYSA-N 443.978 5.902 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)cc1 27546895 UMADYBDOGYTTOA-NDEPHWFRSA-N 449.554 5.311 0 40 IKAB O=C(COc1ccc(Br)cc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 27746859 LNCQEYGNIXXQHF-NRFANRHFSA-N 449.348 5.258 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3c4ccccc4C[C@@H]3C)c2)cc1 30860582 PWEMSDLUXONHMN-INIZCTEOSA-N 440.952 5.041 0 40 IKAB CC1CCN(C(=S)c2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)CC1 33367266 MUDPILVNWFUDDJ-UHFFFAOYSA-N 428.812 6.633 0 40 IKAB CCOc1c(Cl)cc(C(=O)NCc2cccc3ccccc23)cc1OCc1ccccc1 33768683 IDDGNZAQDHKQJZ-UHFFFAOYSA-N 445.946 6.401 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 35024218 TXXWCJDSZOOAPR-YRNVUSSQSA-N 430.718 6.530 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/C(=O)N(c3cccc(F)c3)C(=O)N=C2O)cc1OC 35086710 YOCDYKDFQQBQJN-WIJRQFRKSA-N 446.862 5.172 0 40 IKAB CC1=C[C@@H](CNC(=O)c2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccncc2)o1 35442787 UPQTXAGLXZAYKU-FUDKSRODSA-N 448.542 5.098 0 40 IKAB biogenic,in-vitro CCc1ccc(Cn2c(=O)c3sccc3n3c(SCc4ccccc4)nnc23)cc1 35529650 MNYSVGDKLZWMRY-UHFFFAOYSA-N 432.574 5.009 0 40 IKAB CCc1ccc(C(=O)Nc2c(C)c(Br)c(N)c(Br)c2CC)cc1 45890932 YEHCBSUHZRXZCT-UHFFFAOYSA-N 440.179 5.479 0 40 IKAB Cc1ccc(N2c3[nH]c(=O)c4ccccc4c3C(=O)C23C=CN(Cc2ccccc2)C=C3)cc1 57384814 MJSCQJAWVVNHMH-UHFFFAOYSA-N 445.522 5.453 0 40 IKAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCc2sccc2[C@H]1c1cccs1 58170961 IJROXVKPGXLEEZ-KRWDZBQOSA-N 430.624 5.888 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1ccccc1C 58324542 FOACHHWBIJEVHQ-SANMLTNESA-N 449.554 5.843 0 40 IKAB O=S(=O)(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1 59417577 AVYSLKQUNSIYRV-UHFFFAOYSA-N 447.994 5.438 0 40 IKAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)C1CCN(C(=O)N2CCCC2)CC1)c1ccccc1 72313255 WLIZSTYYNFWUQP-IBGZPJMESA-N 439.987 5.362 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H]2c2cc(Nc3ncccc3C)cc(C)n2)cc1 72372651 RYBOXHZKRARFHO-DEOSSOPVSA-N 430.552 5.351 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)NC[C@@H](C)c1nc2ccccc2s1 78714285 QAKDCYSIGYZERQ-CQSZACIVSA-N 437.590 5.727 0 40 IKAB Cc1cc(Br)c(Cl)cc1N1C(=O)[C@H]2C[C@H](c3ccccc3)CC[C@H]2C1=O 100394396 VXXMOYSZEUWRGL-OAGGEKHMSA-N 432.745 5.484 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 106746467 XMUVWTIHRFYZCM-NVNXTCNLSA-N 440.304 5.241 0 40 IKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 219760973 UMHQKZJDIVPCMB-UHFFFAOYSA-N 441.958 6.762 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CSCc1ccc(Cl)c(Cl)c1 222732265 KENVRGZGEHFOKT-GOSISDBHSA-N 440.392 5.654 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222988826 JATUCSGZBIMKMN-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 223087252 RZPBFPLYXCYLEP-BJKOFHAPSA-N 431.609 5.189 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C 223367787 VAHQGKNMOUPOEW-TZIWHRDSSA-N 426.576 5.356 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 223623797 MDVIIMKTUBSQNE-JOCHJYFZSA-N 445.003 5.003 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)c1 224295140 RRZJQQUURUQCID-JWQCQUIFSA-N 439.588 5.120 0 40 IKAB CCN(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)S(=O)(=O)c1ccc(C)cc1 224458596 HYIFIQNBMTZJQO-UHFFFAOYSA-N 442.625 5.049 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1Cl 225009738 KPEJAPZSBBGKCJ-VXKWHMMOSA-N 440.975 5.580 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 225188201 GPKZQUBNSKZCQR-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 225512191 UGWSKXKPFIOCMX-RCZVLFRGSA-N 438.612 5.185 0 40 IKAB CCOc1cc2c(cc1CN1CCC(c3ccc(Cc4ccccc4)cn3)CC1)O[C@@H](C)C2 257204428 AUOXKCRFFCEVGB-NRFANRHFSA-N 442.603 5.774 0 40 IKAB Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3cc(C)no3)CC2)cc1 257214517 CMHMPSUASFNVNT-VCOUNFBDSA-N 432.568 5.251 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC(c3ccc(Cc4cccc(F)c4)cn3)CC2)cc1 257224212 FATGTKUOYHTWOF-UHFFFAOYSA-N 446.566 5.504 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(Cl)cc2)n(Cc2ccccc2)n1 257295107 QWZLXEYTLPRZKZ-UHFFFAOYSA-N 446.934 6.406 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408578261 WYYSDWDXKGADCL-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc(Cl)c3C)sc2n1 408625182 XEXDSNHKCRLIPY-UHFFFAOYSA-N 433.002 5.618 0 40 IKAB COc1ccc(NC(=O)c2cc3c(N4CCCCC4)nc(SC)nc3s2)cc1Cl 408637137 YKAJDAONIADJBG-UHFFFAOYSA-N 449.001 5.318 0 40 IKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408645648 SONGSIOSDSHIRF-OAQYLSRUSA-N 428.532 5.650 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1ccc(Cl)cc1 408699421 UDNXMGOTIWPRKZ-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB C[C@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cc(Cl)ccc2O)C1=O 408801696 WYDCEKGRICSTCZ-APUJPAGKSA-N 427.977 6.100 0 40 IKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409001398 IDIDBGHVASVROM-IBGZPJMESA-N 448.522 5.861 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2F)C(=O)N1c1ccccc1Cl 409062196 PMLDKDQOBYSNOH-BKUYFWCQSA-N 439.895 6.299 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O[C@@H](C)CC 409072030 UGRGIZIWTNJAGQ-SGPNVBEDSA-N 449.334 5.667 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)c(C)c1 409121045 XXONJQPCJSNMJV-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409349044 QLVLSVUPXMPOGX-FAPYRAKZSA-N 429.925 5.437 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 409376956 CQNQXOSIRRCEBT-VQIMKDEXSA-N 449.334 5.272 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccc(Sc5ccc(Cl)cc5)o4)c(=O)n3c2cc1C 409392057 KOZFTOKWPXRFER-ODLFYWEKSA-N 438.961 5.471 0 40 IKAB CCCc1nc(CCc2cc(OC)ccc2OC)c(C(=O)O)cc1-c1cccc(Cl)c1 585265523 RWKDJRGAYCORLM-UHFFFAOYSA-N 439.939 5.855 0 40 IKAB CCOC[C@@H]1CCCN(C(=O)c2cc(-c3cccc(C(F)(F)F)c3)nc3onc(C)c23)C1 606199900 JFRFTTRAPALQHA-OAHLLOKOSA-N 447.457 5.106 0 40 IKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2cccs2)cc1C 606422479 UGLTZDITMUHIIG-UHFFFAOYSA-N 445.588 6.018 0 40 IKAB CCN(CC)C(=O)c1sc(NC(=O)/C=C/c2ccc(C)cc2)c(C(=O)OC(C)C)c1C 668259 DOGOVHUBJQKQTG-BUHFOSPRSA-N 442.581 5.064 0 40 IKAB Cc1ccccc1-c1nnc(NC(=O)CSc2ncc(-c3ccc(Cl)cc3)[nH]2)s1 1329051 FHSLHHXZWASZBP-UHFFFAOYSA-N 441.969 5.288 0 40 IKAB O=C(CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1)N1CCc2ccccc21 1340005 WKNMHBLUPNQNHI-UHFFFAOYSA-N 437.996 6.000 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CC[C@@H](C)C3 1375660 FFVUXUOGBBUPMU-CQSZACIVSA-N 441.622 5.679 0 40 IKAB CCOC(=O)c1ccc(CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)cc1 1792221 OAEDPKDPIIBIAG-UHFFFAOYSA-N 436.558 5.429 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc2ccccc2c1 1842549 WLFVUZNUYQRODA-UHFFFAOYSA-N 443.494 5.586 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1C1CCCCC1 2074501 MMIPROLTLUSKML-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 2093398 SYXVSOMEURTJSC-UHFFFAOYSA-N 425.532 6.443 0 40 IKAB COc1ccccc1[C@@H](CCN(Cc1ccccc1)C(C)=O)c1ccc(OC(C)C)cc1 2106795 RDVIABFILVLRPD-SANMLTNESA-N 431.576 6.053 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O 2412859 FXZBFPYMYOAOPL-DEOSSOPVSA-N 433.548 5.585 0 40 IKAB Cc1ccc(C)c(CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)c1 2444003 QUCLIYOINHWWKM-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2NC(=O)COc2ccc(Cl)cc2Cl)cc1 2785763 QYULMJCXTJWLTD-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB O=C(C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O)Nc1ccccc1C(F)(F)F 2890009 HJWSYTXPHSFZNR-CQSZACIVSA-N 434.361 5.166 0 40 IKAB CCCC1CCC(c2ccc(-c3nnc(-c4ccc(Br)cc4)s3)cc2)CC1 3012077 FJHKNOMASGVUGY-UHFFFAOYSA-N 441.438 7.709 0 40 IKAB CCOP(=O)(OCC)[C@H](NC(=O)Nc1ccc(Br)cc1)c1ccccc1 3197497 SCFHXYHZMJRPHD-KRWDZBQOSA-N 441.262 5.536 0 40 IKAB CSc1nc2ccc(NC(=O)c3c(C)nn(Cc4ccccc4)c3Cl)cc2s1 3323464 YSRYZYPBOQVDMX-UHFFFAOYSA-N 428.970 5.477 0 40 IKAB O=C(CSc1nnc(NCc2ccccc2)s1)Nc1c(Cl)cccc1Cl 3341286 JPMMBBQGBOUXGU-UHFFFAOYSA-N 425.366 5.188 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(C)(C)C)cc2)N2C(=O)[C@H](C)SC2=N1 3636622 OAIYXZBHZNZRGH-HTAPYJJXSA-N 448.588 5.376 0 40 IKAB O=C(C[C@@H]1CCC[C@H](CC(=O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 5082445 SUJNXAOXYNOELZ-MKPDMIMOSA-N 425.572 5.998 0 40 IKAB CCCCCC[C@@H](CCCCCCCCCCC(=O)OCC(CC)CC)OC(=O)CC 5782823 UMZQPDJSTHEQNY-VWLOTQADSA-N 440.709 8.159 0 40 IKAB CC1=C(C)CP(=Nc2c(C(C)(C)C)cc(C(C)(C)C)cc2C(C)(C)C)(c2ccccc2)C1 6142292 RRRGPRCDSVEZJF-UHFFFAOYSA-N 449.663 9.087 0 40 IKAB Cc1cccc(C)c1OCCCn1c(CCNC(=O)C2CCCCC2)nc2ccccc21 6752558 XCPYTHKADSYQLH-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB aggregator CSc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3F)CC2=O)c1 8753117 GBRXORVSARAYTI-SFHVURJKSA-N 431.536 5.466 0 40 IKAB Cc1ccc(-n2c(S[C@H](C)c3nc4ccccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1 8784512 AABXFDKTICFRPG-QGZVFWFLSA-N 439.544 5.333 0 40 IKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 8860234 FAOGZFXHDBBIPN-FQEVSTJZSA-N 432.995 7.119 0 40 IKAB COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4c(Cl)cccc4s3)oc12 8962637 SNCMJFMJSNXLAK-UHFFFAOYSA-N 449.919 5.947 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 9041992 JXASTVOPELZWBD-AZGAKELHSA-N 430.504 5.345 0 40 IKAB CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)c1 9215836 MXVCTNDTDCVATJ-FQEVSTJZSA-N 432.501 5.015 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2c1SCCC2)Nc1cccc(Cl)c1 9340397 KEFCNJZZHOVNDL-UHFFFAOYSA-N 427.982 5.566 0 40 IKAB COc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 9675870 KCJDJVAGBRCQKS-UHFFFAOYSA-N 430.305 6.012 0 40 IKAB Cc1cccc(OCc2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)c1 9953143 BMZTXINAGGBRQE-GOSISDBHSA-N 445.544 5.743 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccccc3-c3cc(C)nn32)cc1 10058934 DTIBEYXKOIHUPZ-HHHXNRCGSA-N 433.515 5.692 0 40 IKAB Cc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccc(Cl)cc4)c3c2)c1C 12274484 CDDIXYPIOGRMNT-UHFFFAOYSA-N 443.894 5.598 0 40 IKAB CC(C)CC(=O)Nc1ccc(C(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 12532870 ZYBOBZLWFZFEAH-UHFFFAOYSA-N 433.479 5.303 0 40 IKAB Cc1cccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)c1 12617450 BUTAOKSAUSHZIE-GHTZIAJQSA-N 425.351 6.061 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc(F)c(Cl)cc1Cl 12981841 NPXWZMFVMFOTGO-UHFFFAOYSA-N 444.336 6.352 0 40 IKAB Cc1ccc(N2C(=O)C[C@H](Sc3cccc(NC(=S)Nc4ccccc4)c3)C2=O)cc1 13577357 CBMBLSYXVBMOEG-NRFANRHFSA-N 447.585 5.228 0 40 IKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)cc1 13647012 HZTRWIVOBVSAIS-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 13810410 JIYGUEBKZPURAW-ISKFKSNPSA-N 449.348 6.090 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1cc2c(cc1Cl)OCO2 13880303 PWTHSASXXYDOPE-BNCCVWRVSA-N 441.814 5.324 0 40 IKAB c1ccc(C(CCNCc2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc2)cc1 13988004 BOFHXTLZQHEPGG-UHFFFAOYSA-N 444.582 6.246 0 40 IKAB C[C@@H](OC(=O)c1ccccc1OCc1ccc(Cl)cc1)C(=O)Nc1cccnc1Cl 15856715 MDBIVYVJSJMZDZ-CQSZACIVSA-N 445.302 5.151 0 40 IKAB Cc1ccc(C)c(CSc2nnc([C@@H](Cc3ccccc3)NC(=O)OC(C)(C)C)o2)c1 15987123 GBMUAGYGAQBWKC-HXUWFJFHSA-N 439.581 5.787 0 40 IKAB COc1ccc(CCNCc2c(OCc3ccccc3F)ccc3ccccc23)cc1OC 16227378 JMNHPIDMSDNYGJ-UHFFFAOYSA-N 445.534 5.907 0 40 IKAB CC1(C)Cc2c(ccc3ccccc23)C(CC2=NC(C)(C)Cc3c2ccc2ccccc32)=N1 16605271 QVYAZAZIEROJFF-UHFFFAOYSA-N 430.595 7.331 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cc(C)ccc3C)CC2=O)c1 16902531 XHJDLLZWCCGNJC-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3ccc(C)cc3nc21 17209158 PYOAYFDUJNZRIT-UHFFFAOYSA-N 437.341 5.708 0 40 IKAB COc1ccc(CN2CCC([C@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C 19577314 JAWIVDOGEWOOIF-VWLOTQADSA-N 449.620 5.152 0 40 IKAB CCN(CC)[C@@H]1CCO[C@H](c2cccc(NC(=O)Cn3c(C)nc4cc(C)c(C)cc43)c2)C1 19712187 JPEYEJRZQFQRRW-BVAGGSTKSA-N 448.611 5.162 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 20611303 FPLLHQFGBGPGLL-KRWDZBQOSA-N 430.508 5.167 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 21005737 ISJUTUDCAJYIDR-HSZRJFAPSA-N 431.442 5.304 0 40 IKAB CCC[C@H](OC(=O)NCCCCNC(=O)O[C@H](CCC)c1ccccc1)c1ccccc1 21965973 APQQRIFXVFPSKE-PSWAGMNNSA-N 440.584 6.302 0 40 IKAB CC(C)C[C@@H]1Oc2ccccc2[C@@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 22027409 KMNLGDPHNNPIAN-KYJUHHDHSA-N 447.578 7.279 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1nc(-c2cc3cccc(OC)c3o2)cs1 22479725 RKHLQEAZLAUFDX-UHFFFAOYSA-N 429.885 5.871 0 40 IKAB CN(C(=O)Cc1csc(COc2ccc(Cl)cc2)n1)[C@H]1CCCc2ccccc21 27447793 KEASUJKSJQJCJI-NRFANRHFSA-N 426.969 5.454 0 40 IKAB COc1ccc([C@@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(Cl)c(C)c2)cc1 28288759 AKMYAKADOLJYMX-SANMLTNESA-N 448.950 5.765 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccco3)C3=CCCCC3)c(Cl)cc12 32736568 VVPOYQMYDFCIAX-UHFFFAOYSA-N 427.884 5.213 0 40 IKAB CC(=O)Nc1cc(C)nn1-c1ccc(NC(=O)Cc2coc3cc(C)c(C(C)C)cc23)cc1 32832417 DAQCGQLSHYLNGR-UHFFFAOYSA-N 444.535 5.498 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)cc1Cl 33547530 FSDQNPMPAYRQRV-UHFFFAOYSA-N 442.799 5.764 0 40 IKAB CCOC(=O)c1ccc(-n2c(-c3ccccc3)nnc2-c2ccc(-c3ccccc3)cc2)cc1 33695247 LFNXSJPMIIXDRK-UHFFFAOYSA-N 445.522 6.445 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)s2)cc1 39760863 WIDNMIPSTFGMEP-LFIBNONCSA-N 426.501 5.109 0 40 IKAB Cc1ccc2nc(COc3cccc(C(=O)Nc4ccc5oc(C6CC6)nc5c4)c3)cn2c1 40081610 UVAOKDITBVWPRW-UHFFFAOYSA-N 438.487 5.493 0 40 IKAB CC[C@@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 50073089 RRINXGACOWHPCW-KXBFYZLASA-N 445.412 5.405 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COc1ccc(C(C)(C)C)cc1Br 59210982 SVJUPXFZPIIRTH-UHFFFAOYSA-N 426.738 5.426 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 59502723 UYVXKJWTJRZPPK-KQWNVCNZSA-N 445.946 6.561 0 40 IKAB Cc1cc2nc(C3CCN(C(=O)c4csc5c4CCCC5)CC3)cc(C(F)(F)F)n2n1 72340820 GDRFEWBGNCGMLL-UHFFFAOYSA-N 448.514 5.017 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3ccc(-n4ccc(C(F)(F)F)n4)cc3)c2)oc1C 84061825 QSRHPZCGCWVLES-UHFFFAOYSA-N 426.398 5.415 0 40 IKAB Cc1ccc(-c2nnc([C@H]3CC[C@H](CNC(=O)c4ccc(Cl)c(Cl)c4)CC3)o2)cn1 100155940 UAZXTAWUWDUXCG-GASCZTMLSA-N 445.350 5.451 0 40 IKAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 101192472 LIPPHDMICQMURW-DYQSUWPFSA-N 435.277 5.379 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 101519279 IHTUQSVNUBACSA-KKCLFWLVSA-N 432.564 5.773 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C[C@H](c2ccc(Cl)cc2)C1 102673521 YCTKTUKPUOEWDH-XDHUDOTRSA-N 426.907 6.150 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc2n1C 106712053 YQCDZRIEERACIM-GRSHGNNSSA-N 431.344 6.030 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNc2ccc(C)c(Cl)c2)cc1 106974547 TYCUORHASVURPE-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 216448635 JOJVDRJSBALKMD-NRFANRHFSA-N 442.968 5.330 0 40 IKAB CC(C)c1ccc(CCCNC(=O)COc2ccc3ccccc3c2Br)cc1 218907958 GAYYEXMVRIJOCS-UHFFFAOYSA-N 440.381 5.854 0 40 IKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1cccc(OCc2ccccc2Cl)c1 219844109 JGBATDOTJKCJFQ-UHFFFAOYSA-N 441.914 6.402 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 222399108 QANHRPDXVNLRRL-XMMPIXPASA-N 438.612 5.003 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222638417 AFDUWHIQDBFDLX-XXEARWCOSA-N 432.593 5.395 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223686995 AYMYHXGTGHMUTD-RUZDIDTESA-N 438.612 5.186 0 40 IKAB Cc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224004124 VVLAWYRMXMUDLZ-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1 224008104 JNDUONSVDGLPHZ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3cccc4ccccc34)c2)cc1 224096248 FXABKWPGSACAKA-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(OC)cc1 224599454 QQNMPIVNNCRJHG-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1-c1ncc(-c2ccccc2)o1 224894343 TUDXCFLGKJGXNT-UHFFFAOYSA-N 442.824 6.933 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 225482615 YZBADDWLJBGLNT-NZQKXSOJSA-N 426.626 5.032 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 225516374 UXPQZZLVGSBGQG-URXFXBBRSA-N 440.653 5.340 0 40 IKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl 225552525 KOULSTHNXGODHH-MRXNPFEDSA-N 436.379 6.248 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccncc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242722989 YAVJNCRQEPHRIC-HMWHCUKNSA-N 439.684 6.175 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 245238294 IVXHYDUXTYURSY-VWZRJUBTSA-N 446.553 6.383 0 40 IKAB CCn1cc(C(=O)CN2CCC(c3cccc(Nc4ccccn4)n3)CC2)c2ccccc21 257255649 KIIGLBMUUJVLGS-UHFFFAOYSA-N 439.563 5.257 0 40 IKAB O=C1CCCC[C@]2(CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2cc(F)cc(F)c2)N1 257302600 SDNHKICSOYRTDN-XTEPFMGCSA-N 446.541 5.660 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@H]4C)cc3)CCCCC2)c1 260814780 NOMRMDVPMKGMCB-HSZRJFAPSA-N 434.624 6.089 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@H](C)C1 260818207 XUAOYKPJHRETSU-AOJNWGRGSA-N 430.633 5.644 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1NC(=O)c1cccc(Cl)c1 408557836 OEPRMSSNVGUMPC-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB COc1ccccc1CNC(=S)c1cc(Br)ccc1OCc1ccccc1 408577424 SMSJUFGXIHULJB-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)N[C@@H](C)CCc3ccccc3)sc2n1 408625763 YAZRHZRPJBVMNW-INIZCTEOSA-N 440.638 5.155 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2ccc(Cl)cc2)cc1 408694344 JHDPZQICWBNNNK-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 408737712 NYZYBBAKPFVFGA-SFHVURJKSA-N 441.556 5.085 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccccc3-c3ccccc3)C(=O)[C@@H]12 408756060 XHDXWAWFSOBJLK-MWKZZOCJSA-N 441.530 5.924 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2ccccc2)cc1C 409101996 XMSKTNVJARGTJC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 409103199 XKMIHPTXMNEBHP-UHFFFAOYSA-N 448.514 5.275 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2C)oc(-c2ccccc2)c1-c1ccccc1 409110597 WYUKXKMBMKCSQH-UHFFFAOYSA-N 425.484 6.351 0 40 IKAB CCCc1sc2nc(SCc3cccc(F)c3)n(-c3ccc(F)cc3)c(=O)c2c1C 409115731 KBYKDBJCCIHLOW-UHFFFAOYSA-N 442.556 6.279 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1C 409116520 OBIQAEXXAKSOKJ-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1cccc(N2C(=O)c3ccccc3C2=O)c1 409177364 FKASDLNKDBXWOV-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)cc1C 409338055 CDTPMVYNVHIFAE-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(CNc2cccc(Cl)c2C)cc1Cl 409372374 YWKSTRPVWXDMQI-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 670362 OXQFKNQWCZSLFH-WDEREUQCSA-N 441.380 5.075 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1cccc2ccccc12 835265 XTXZXPMJNJOSMC-UHFFFAOYSA-N 430.529 5.058 0 40 IKAB Cn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 877965 QONMIKDPXPOMDX-UHFFFAOYSA-N 434.952 5.593 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 901760 WSPBAOOUEUKDBY-UHFFFAOYSA-N 431.798 5.279 0 40 IKAB COc1ccc(/C=C2\CCCC3=C2N=C2SCC(=O)N2[C@H]3c2ccc(OC)cc2)cc1 1108037 HGEXBZTVUXGNBU-KPUQOTSHSA-N 432.545 5.212 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 1430346 MSQVQQLQHKMQJJ-SFHVURJKSA-N 433.914 5.706 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cc(C)ccc2C(C)C)sc2c1CC[C@@H](C)C2 1747152 WNXLMSLRYSYLNI-MRXNPFEDSA-N 429.582 5.499 0 40 IKAB Cc1ccc(SC2=C(N(C)c3ccccc3)C(=O)N(c3cc(C)ccc3C)C2=O)cc1 1809098 WUDRMHSOOLIEHG-UHFFFAOYSA-N 428.557 5.625 0 40 IKAB CCOc1ccccc1NC(=O)c1cccc(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 2069811 VOESBIPDAUMVOL-HXUWFJFHSA-N 444.575 6.278 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCC2 2085550 DQUZXFDHUNAEOR-UHFFFAOYSA-N 433.982 6.314 0 40 IKAB CCCCCCc1c(C)c2ccc(OCC(=O)c3ccc(Cl)cc3)c(C)c2oc1=O 2119230 PTXHISMIBWWFET-UHFFFAOYSA-N 426.940 6.448 0 40 IKAB biogenic CCOC(=O)c1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1 2237280 SULBQXSQLGJCKC-KRWDZBQOSA-N 441.405 5.615 0 40 IKAB CCCCOc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2249417 IEQZJKIVMFTFGJ-UHFFFAOYSA-N 428.923 6.468 0 40 IKAB CC(C)O[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1F 2380211 QRAKUKZKAKDXCX-AYWVHJORSA-N 426.472 6.031 0 40 IKAB CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccccc2F)N2NC=NC2=N3)cc1 2423418 FZHMDEXBEJQKPS-BJKOFHAPSA-N 442.519 5.352 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@H](C)CCc3ccccc3)c3nc4ccccc4nc32)cc1 2448940 XMTAUNGESJSRES-LJQANCHMSA-N 449.558 5.215 0 40 IKAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1-c1ccccc1 2624026 YXVWQLJPRNTUPC-OAHLLOKOSA-N 436.562 5.124 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 3049180 VKPZBWCWCDZRLK-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB CCc1ccc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 3224431 HNMULAUDCBOWIJ-UHFFFAOYSA-N 443.425 5.202 0 40 IKAB CC1(C)C[C@H]2C3=CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)[C@H](O)C1 5762505 ZEGUWBQDYDXBNS-FVFJQADASA-N 442.728 7.140 0 40 IKAB biogenic,in-vitro CN(C)CCCN(C(=O)c1sc2ccccc2c1Cl)c1nc2c(F)cccc2s1 8683835 FCBPZZFYLRYASX-UHFFFAOYSA-N 447.988 5.902 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 8758349 QPGOYKAXJNFMLF-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1 8831922 NZVXABVCZBERMI-UHFFFAOYSA-N 441.314 6.382 0 40 IKAB CCO[P@@]1(=O)C(c2ccccc2)=NN(c2ccccc2)c2c(F)c(F)c(F)c(F)c21 9019657 ATCHNAYYAFNJNF-SSEXGKCCSA-N 434.329 5.696 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 9355436 KDWKBLUSJKJJPS-SSEXGKCCSA-N 442.562 6.931 0 40 IKAB CCCN1C(=O)c2ccccc2[C@H]1c1c(-c2cc(OC)ccc2OC)[nH]c2ccccc12 9426286 LTVOIRNNGOCVCF-SANMLTNESA-N 426.516 5.807 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518525 JNFSXMYDXWBFMG-JLHYYAGUSA-N 440.455 5.108 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Br)cc2)cc1 9599312 GYIKCMYGMRKBBC-UHFFFAOYSA-N 430.371 5.067 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](CC(C)C)n2nc(SCc3cccc(C)c3)nc2N1 9608539 BDVBVSQVSNXJDM-OAQYLSRUSA-N 447.608 5.804 0 40 IKAB CCOc1cc(Br)c(CSc2nnc(-c3ccco3)o2)cc1OCC 9644193 QSAVRWSXSAJTQU-UHFFFAOYSA-N 425.304 5.182 0 40 IKAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccc(F)cc3)cc(=O)oc2c1 9663935 QNHQSCVCGBRJOM-UHFFFAOYSA-N 444.487 5.232 0 40 IKAB Cc1nnc(S[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)n1C1CC1 9714214 PKPQSFBBCMKYJA-SFHVURJKSA-N 433.364 5.700 0 40 IKAB CCCCn1c(SCC(=O)Nc2cc(F)ccc2C)nc2c(oc3ccccc32)c1=O 9749437 ULRXZPDGARSFKA-UHFFFAOYSA-N 439.512 5.121 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(OCC(C)C)c4)cc3)oc2cc1C 10120427 IFDUELMVIZQMNL-UHFFFAOYSA-N 428.532 6.076 0 40 IKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc3ccccc3c2)cc1 10245442 LMFQNNVIWJSWKL-UHFFFAOYSA-N 434.495 6.653 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 10314472 PGVMTGDRGRLTOU-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 10587029 JRCKSCYHDROZOC-AWEZNQCLSA-N 444.581 7.148 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)CCSc4ccc(F)cc4)n3)oc12 10748684 RNHGGEXTZKVNLP-UHFFFAOYSA-N 428.510 5.825 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccco2)oc1NCCc1ccccc1 11027253 KQWUZAWNDNYFPN-UHFFFAOYSA-N 428.897 5.075 0 40 IKAB O=C(CSc1ncnc2sccc12)Nc1cc(C(F)(F)F)ccc1N1CCCC1 12553515 MNTKPQYMAKIXRG-UHFFFAOYSA-N 438.500 5.041 0 40 IKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccccc1N1CCOCC1 12563403 FDPQQJLGRUOLBC-UHFFFAOYSA-N 448.375 5.135 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)Oc1cc(C)c3ccccc3n1)oc1ccccc12 12639763 IBXJLSSEIMQSOD-INIZCTEOSA-N 426.472 5.857 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)N1CCC[C@@H]1c1nc2ccccc2s1 12994798 GGZLDEHSEYTEIY-VGMNTSGFSA-N 443.366 5.444 0 40 IKAB COc1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(OC)cc1Cl 13687822 VCCADKGHANHHFL-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 14922360 YAFPRMDPAABEAK-RQNVWYSMSA-N 429.519 6.083 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C)cc2)cc1 15412325 GHNUJSYBMIHPOW-SANMLTNESA-N 428.532 5.132 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc(Cl)cc1 16262350 XTBBYXXLJYGVQV-SFHVURJKSA-N 429.998 5.072 0 40 IKAB Cc1cc2c3c(c1)[C@@](C)(c1ccccc1)CC(C)(C)N3C(=O)[C@@]21Nc2ccccc2S1 17095085 POMSHNKGWLIECI-KAYWLYCHSA-N 426.585 6.201 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 17100133 VLIMJUNPMJNISV-INIZCTEOSA-N 436.474 5.073 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cccs3)c(OC)c2)cc1 17102426 LHCPDRZQNWCNJU-INIZCTEOSA-N 438.549 5.540 0 40 IKAB CCN(CC)C(=O)c1ccc(Nc2nc(CN3CCCC3)nc3sc(C)c(C)c23)cc1 18899841 OQKFDFFFOGKTKO-UHFFFAOYSA-N 437.613 5.130 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19642551 FXDWFAXMEBJUPW-UHFFFAOYSA-N 444.943 6.787 0 40 IKAB Cc1nc([C@]2(O)CCCN(C3CCCCC3)CC2)sc1COc1ccc(F)c(F)c1 19705245 SQORXFUQXZIXAV-QHCPKHFHSA-N 436.568 5.315 0 40 IKAB Cc1ccc(CN2CCCC[C@H]2c2ncc(C(=O)Nc3ccccc3F)c(C)n2)cc1C 19764741 IQCPJICIZLOOBD-DEOSSOPVSA-N 432.543 5.520 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 19929201 ULKSJHDDBPTCSD-UHFFFAOYSA-N 443.743 5.171 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(C[C@@H](C)c1ccccc1)CO3 20610387 JZRGADSHALLJLX-LJQANCHMSA-N 439.555 5.956 0 40 IKAB biogenic Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)C3CCCCC3)cc2s1 20894888 SGYIZCJJNOQEID-UHFFFAOYSA-N 439.606 5.854 0 40 IKAB Cc1ccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c(C)c1 22274929 XUYQJCSNKVTZJW-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(-n2nnc(C(=O)OCc3nc(-c4cccc(Cl)c4)oc3C)c2C)cc1C 23126391 CIPYXHLONMWXAR-UHFFFAOYSA-N 436.899 5.166 0 40 IKAB COc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OC[C@@H](C)COc1ccccc1 26712822 SKPPWZMHSUYYSZ-VQIMKDEXSA-N 449.981 5.772 0 40 IKAB Cc1ccc(/N=c2\scc(-c3ccc(Br)cc3)n2-c2cccc(C)c2)cc1 27525784 XVLFLYSIOUSONJ-BZZOAKBMSA-N 435.390 6.818 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 27814120 PTZLQROSLOLEDW-OAQYLSRUSA-N 443.597 5.844 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 28293822 WTOQBBMGVCPZDF-SFHVURJKSA-N 438.593 5.377 0 40 IKAB CC(C)OCc1ccccc1CNC(=O)c1cc(Br)c(Br)s1 31340195 NXPNLFJHZHMGTF-UHFFFAOYSA-N 447.192 5.128 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1ccc(N2CCC(C)CC2)cc1 32125438 QCJXJNJYEKHDLZ-UHFFFAOYSA-N 433.577 5.212 0 40 IKAB FC(F)(F)c1ccc(-c2noc(CSc3ccc(-c4cccc(Cl)c4)nn3)n2)cc1 33021923 LSDKHTZCSPXRHS-UHFFFAOYSA-N 448.857 6.158 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)Nc1ccccc1 33782866 OFFUVYWPGPCWQX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccccc2Cl)c(Cl)c1 33785790 GJJBUXSMNLKHCH-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cccc(C)c2C)cc1 35154777 XFUAVDOWZJHOML-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB O=C(CSc1nnc2c(n1)-c1cccc3cccc-2c13)Nc1cc(Cl)ccc1Cl 35288806 QWKFIDNDRCNLOX-UHFFFAOYSA-N 439.327 5.710 0 40 IKAB O=C(Cc1ccccc1)NCCCc1nc2ccccc2n1Cc1cccc2ccccc12 40208287 PBRPFAHMFICARB-UHFFFAOYSA-N 433.555 5.529 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl 41019102 JGYMTAFLISNGFX-UHFFFAOYSA-N 429.225 6.239 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)cc2C)cc1 57488442 KUYSACNFFMKLBC-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB C[C@@H](Cc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCCC3)c1ccccc1 59086892 VAQYDWBLDBLXFT-IBGZPJMESA-N 428.601 5.926 0 40 IKAB Nc1c(Br)cc2oc(-c3cc(Cl)cc(Cl)c3)nc2c1Br 70461366 VJVQLFKKSFJGDD-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4cc(Nc5ncccc5C)cc(C)n4)C3)c2c1 72375077 WSNYIUZMMNEQNI-IBGZPJMESA-N 440.551 5.042 0 40 IKAB O=C(Nc1cccc(CS(=O)(=O)C2CCCCC2)c1)C1=Cc2cc(Cl)ccc2OC1 78993122 QPFBGJBAKGYFKR-UHFFFAOYSA-N 445.968 5.002 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(=O)n(-c3ccccc3)c(S)nc2c1 100430325 HULNVWOAKBKFRP-UHFFFAOYSA-N 442.327 5.234 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 106717004 FGJGJGPXUVIIQZ-ODLFYWEKSA-N 430.312 6.490 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNc2ccccc2)c(Cl)c1 107028047 QPWQGHMWJANGET-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 107041718 OYKNYURBWSFNDR-UHFFFAOYSA-N 438.301 6.861 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3-c3cn4ccsc4n3)n(C)n2)cc1 206895374 MWHGEJUFEYUUIT-UHFFFAOYSA-N 443.532 5.114 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)o2)cc1 214040526 MYUDHANNJVVSRV-KGENOOAVSA-N 433.485 5.360 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 223212252 UGPPXNTVDLFTEH-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 223945693 FQAGALLFDOZWQU-FQEVSTJZSA-N 430.614 5.359 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 224319413 XQFIMOCKRSHQKP-QGZVFWFLSA-N 429.402 5.101 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1CSc1ccccc1 224652137 OLVDUJBTRNHFAE-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026914 IWISTAHXAXVZNJ-RPWUZVMVSA-N 433.577 5.655 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225164853 MVYVXCOWEJZOEE-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB Cc1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)cc1N1CCCC1=O 225811047 NCLLEHWQVSOZFQ-UHFFFAOYSA-N 425.573 5.059 0 40 IKAB COc1ccc(NC(=O)C2(C)COC(c3cccc(C(F)(F)F)c3)OC2)cc1Cl 225920882 RQQKYKUEOBRYGH-UHFFFAOYSA-N 429.822 5.058 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)CC2CCCC2)CC1 257262456 LLLONQVQBFYVRW-UHFFFAOYSA-N 447.623 5.005 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816960 SOJFYOFWYWWYNK-GJZUVCINSA-N 432.649 6.034 0 40 IKAB CCOc1cc(C(=S)NCc2cccc(OC)c2)ccc1OCc1ccc(F)cc1 408572242 FUIBOFANLGTQKX-UHFFFAOYSA-N 425.525 5.277 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(N2CCCCC2)cc1 408575453 VAIUYRQFBJCLLD-JQIJEIRASA-N 431.561 5.463 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408624938 WBLAYMCMHZOLIU-UHFFFAOYSA-N 430.935 6.513 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)cc2-c2ccc3ccccc3c2)cc1 408724205 HTZPXLNBCVWVOY-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408771452 GMXHZPGJEBZWCX-SANMLTNESA-N 430.573 5.837 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 408784265 VANIZCMFOQJUNP-ZGOFBEGVSA-N 439.584 5.852 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3cccc4ccccc34)cc2)S(C)(=O)=O)cc1 409024725 NOKLSZCYVVUDAQ-UHFFFAOYSA-N 444.556 5.367 0 40 IKAB CCOc1ccccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409062762 AMNVWEANPLXPDU-UHFFFAOYSA-N 428.532 5.243 0 40 IKAB Cc1cc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)ccc1Br 409125816 KMZYRGOQGYFVDL-UNOMPAQXSA-N 440.318 6.258 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N[C@H]1CCCC[C@H]1C 409158747 YUQDWZCFVSHUTF-QUCCMNQESA-N 444.645 5.096 0 40 IKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)cc1 409197701 MLHIEOCEOXVKBB-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)cc1 409328938 ATZCNQMVNASLDC-ZDLGFXPLSA-N 432.904 5.278 0 40 IKAB Cc1c(C(=O)NCc2cccc(NC(=O)Nc3ccccc3)c2)[nH]c2c1C(=O)CC(C)(C)C2 590111173 OCTCMWRPHVDNKX-UHFFFAOYSA-N 444.535 5.052 0 40 IKAB O=C1NCCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccsc2)CC1 2037978121 BVDXYQMKCYVSJN-AREMUKBSSA-N 445.632 5.460 0 40 IKAB COc1ccccc1C(=O)Oc1ccc2ccc(OC(=O)c3ccccc3OC)cc2c1 683118 VNTBMZIWRAYBIS-UHFFFAOYSA-N 428.440 5.295 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@@H](C)C2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 825857 LCACYSALAAALAR-CUHUQNRHSA-N 434.536 5.015 0 40 IKAB CN(C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2)C1CCCCC1 885346 MGCJABZYOZIHRA-UHFFFAOYSA-N 435.515 5.144 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)ccc3OC)c2c1 906260 ISBHEACLTBOJDF-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB Cc1ccc(NC(=O)c2nc(C)n(-c3cc(OC(C)C)c(Cl)cc3Cl)n2)c(C)c1 1400992 LICLWKNWENPIFY-UHFFFAOYSA-N 433.339 5.539 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)c(Br)c1 2081660 TYDJBPCHQKZCNP-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2C)cc1 2242213 YWNNRMGHFNHBNX-UHFFFAOYSA-N 434.590 5.267 0 40 IKAB CCn1c(NC(=O)c2ccc(OC)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2430024 KMMBALMNIUHNKJ-UHFFFAOYSA-N 432.907 5.603 0 40 IKAB COc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1F 2617885 PYFPSOBJHISBIC-UHFFFAOYSA-N 428.435 5.104 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccccc2C)cc1 2684480 NZJNKJUDDKKNFQ-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1ccc(-c2nn(-c3cccc(F)c3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 2733382 HGBULJJVFVKVDT-UHFFFAOYSA-N 448.494 5.688 0 40 IKAB Cc1ccccc1-n1c(S)nnc1-c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)F 2791088 WOUVXPUBOWHFTO-WMZOPIPTSA-N 438.507 5.091 0 40 IKAB Cc1ccc(-c2csc3ncnc(Nc4ccc(Cl)c(C(F)(F)F)c4)c23)cc1C 2886698 BVHODVLGEGWPFB-UHFFFAOYSA-N 433.886 7.391 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3Cl)oc2NCc2ccccc2)cc1 3212755 LAXJJIATCKGATP-UHFFFAOYSA-N 438.936 5.748 0 40 IKAB CC(C)c1ccc(N(C(=O)COc2ccc(Cl)cc2)c2nc3ccccc3s2)cc1 3235983 CLLXOMJIWXKEPU-UHFFFAOYSA-N 436.964 6.817 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(CC)cc3)cc12 3368544 MQBDHXLJTWJJJE-UHFFFAOYSA-N 449.528 5.640 0 40 IKAB COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1ccccc1C(C)C)c1ccccc1 3393899 NYWCYIKKNRHPMO-HAVVHWLPSA-N 429.516 5.541 0 40 IKAB O=C(CSC(c1ccccc1)c1ccccc1)Oc1ccc(Br)cc1Cl 3417084 KGFTZADBEBXFBO-UHFFFAOYSA-N 447.781 6.531 0 40 IKAB CCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 3872859 DOMWKUIIPQCAJU-KGLQBNQBSA-N 428.613 5.970 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)cc1C 4660870 WNKSOVUCYYNQLZ-SFHVURJKSA-N 425.594 6.310 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 5859852 BTHGGKYAWTZMCO-IAGOWNOFSA-N 430.593 5.471 0 40 IKAB CCCC[C@@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC 5941104 PMONBFSPMKSPTJ-GCYXNMHMSA-N 444.575 6.153 0 40 IKAB Cc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 6752560 QNCIYUAQLWJCOG-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB aggregator CCc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cc(OC)ccc3OC)c2c1 8383383 LZNPEQVDXLWDLV-UHFFFAOYSA-N 446.934 6.387 0 40 IKAB COc1cc([C@@H]2CC(c3ccc(Cl)cc3)=Nc3ccccc3S2)cc(OC)c1OC 8433105 ZVCBIQZAKQKLJG-QHCPKHFHSA-N 439.964 6.724 0 40 IKAB Cc1cc(C)cc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 8594483 QYHTUXNZLHGKRQ-OAQYLSRUSA-N 425.866 6.487 0 40 IKAB aggregator O=C(Nc1cccc(/C=C/c2ccccn2)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 8747062 FKQCNYLGCICHSZ-AKNQKSQZSA-N 449.510 5.051 0 40 IKAB Clc1ccc(/C=C/c2nc3ccccc3n2Cc2cc(Cl)ccc2Cl)c(Cl)c1 8782204 UUNIYAJSUVHPGO-UXBLZVDNSA-N 448.180 7.869 0 40 IKAB O=C(c1cc2ccccc2s1)N1CCC(c2cc(-c3cccc4ccccc34)[nH]n2)CC1 8855372 TUHKZMYQHTVMHF-UHFFFAOYSA-N 437.568 6.464 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 8915355 APPIZPKNEFIXEZ-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(C)cc(Cl)c2)cc1 8951402 ADHBDIDXBZHQCL-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1cccc(-c2nnc(-c3ccccc3)o2)c1 8984361 ZLWCENCTPUCZBX-SFHVURJKSA-N 427.504 5.935 0 40 IKAB C[C@@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 9245302 FPILFFLXHSKNOF-UAKUBYGHSA-N 446.550 7.424 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(/C=C/c3ccccn3)c2)nnc1-c1cccs1 9255358 YLJOLSQRWSDKEM-VAWYXSNFSA-N 447.589 5.323 0 40 IKAB Brc1ccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)N=C3NN=NN32)cc1 9345171 MQMUVKKABOHRHE-OAQYLSRUSA-N 430.309 5.755 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)N1CCc1ccccc1 9355420 NYUZAHCAXRGFLD-GDLZYMKVSA-N 428.535 6.623 0 40 IKAB COc1ccc2cc([C@]3(C)NC(=O)N(Cc4csc(-c5cccs5)n4)C3=O)ccc2c1 9366070 LCXJVYWYIKJAMV-QHCPKHFHSA-N 449.557 5.001 0 40 IKAB CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)(C)C)cc1 9409107 IWMYWKLDQZIAKA-RUZDIDTESA-N 447.579 5.440 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 9419949 NIDLJCMHUTXGSS-HSZRJFAPSA-N 442.544 5.307 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2Cl)n(C)c2ccccc12 9426299 ZTKPNWSSNFFBND-RUZDIDTESA-N 449.381 7.107 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)o1)N1c2ccccc2SC[C@@H]1c1ccccc1 9463573 OQPQCOSWEZPBEC-LJQANCHMSA-N 446.557 5.104 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1cccnc1)/C(=C/c1ccccc1)c1ccccc1 9669003 NJURGIOJEMESME-XIEYBQDHSA-N 433.511 5.191 0 40 IKAB Cc1cccc(NC(=O)[C@@H](C)Nc2nc(Nc3ccccc3)nc(Nc3ccccc3)n2)c1 9933736 ZKUWSUOTWTUBJY-GOSISDBHSA-N 439.523 5.106 0 40 IKAB COc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)CCSc3ccc(F)cc3)nc12 10875088 YVANYZJVEUSALT-INIZCTEOSA-N 446.569 5.138 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2CCC)cc1OC 12062900 FYUGESLOHBVHLD-HSZRJFAPSA-N 435.520 5.244 0 40 IKAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 12398419 VEACMSKDKCGNJJ-UHFFFAOYSA-N 444.619 5.367 0 40 IKAB C[C@@H](Nc1ccc(-c2cc3ccccc3o2)cc1)C(=O)Nc1ccc(N2CCOCC2)cc1 12526483 KDWFEDCUIFBJAE-LJQANCHMSA-N 441.531 5.376 0 40 IKAB CSCC[C@@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 12560226 SITSBMCWGXHLHI-OAHLLOKOSA-N 426.032 5.122 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2cccc(Cl)c2Cl)NC(=O)N1 12619115 IUERIXRLCKQYKZ-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB O=C(COC(=O)/C=C/c1cccc(C(F)(F)F)c1)Nc1ccccc1Oc1ccccc1 12624458 YJHKHFKZUUUKLX-BUHFOSPRSA-N 441.405 5.693 0 40 IKAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(COc2ccc(C(C)(C)C)cc2)cc1 12732624 DOCSMIZZHUNVBL-UHFFFAOYSA-N 446.547 5.782 0 40 IKAB CC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2 13026971 JVJPQPSOCZAUMC-WECAROLCSA-N 434.561 5.245 0 40 IKAB CN(Cc1ccc(F)cc1)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 13097946 OVXIGPDMCROEHR-UHFFFAOYSA-N 438.959 5.952 0 40 IKAB Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)cc1 13120387 KPOMPJLWFBFMNI-RUZDIDTESA-N 443.478 5.781 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498405 QYHYXJRTNOGNCS-RUZDIDTESA-N 432.589 5.432 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1 13502173 HLIUNUPMSKLXAV-RUZDIDTESA-N 445.538 5.366 0 40 IKAB CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3C)n2)nnc1C1CC1 14245137 RWKKHAYKXWLVGC-UHFFFAOYSA-N 427.599 5.226 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)ccc1NC(=O)C(C)C 14273043 CMGLHPTZYYVQON-UHFFFAOYSA-N 447.318 6.109 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)OCCO2)c1ccc(-c2cccc(Cl)c2Cl)o1 16383962 NHMSODQUXQAIEX-UHFFFAOYSA-N 449.315 5.151 0 40 IKAB CC1CCN(c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2Cl)CC1 17095622 ADQODGLREZFRAF-UHFFFAOYSA-N 427.759 5.901 0 40 IKAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373180 XXIRAFWPSIMJHH-WMZHIEFXSA-N 425.536 5.302 0 40 IKAB Cc1c(C)n(Cc2ccccc2)c2ccc(C(=O)N3CCN(Cc4ccccc4)CC3)cc12 19855685 NVAGGRBLSDEQHV-UHFFFAOYSA-N 437.587 5.264 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(O)cc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 20058983 MFEDTFBAOZQMPM-MZNJEOGPSA-N 441.487 5.221 0 40 IKAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 26120367 VZFVAAHQEYULJE-UHFFFAOYSA-N 446.638 5.096 0 40 IKAB Cc1sc2c(c1C)c1nc(Cc3ccccc3)nn1c(=O)n2Cc1ccc(Cl)cc1 32091349 IVQAPMVGCNVBFH-UHFFFAOYSA-N 434.952 5.015 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(OCc2ccc(F)cc2)c1 32731039 YYCULOFHNOJFNF-UHFFFAOYSA-N 445.494 5.506 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 33547073 TUUBPWOMVGWYTN-UHFFFAOYSA-N 431.989 5.246 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 33569128 QPYIJOXHZNDIIG-YJBOKZPZSA-N 446.305 6.333 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@@]21C 36371657 WOECLDQDCSEWTG-KBPGHLADSA-N 428.661 6.344 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Br)c(Cl)c2)cc1OC 38754499 FVQFGVXRYKWWAA-JTQLQIEISA-N 430.751 5.239 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)ccc21 39741618 SUNXDRCPSWXLPR-UHFFFAOYSA-N 445.994 6.319 0 40 IKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)COc1cccc(C(C)(C)C)c1 40058604 BPHDWQNZZYJWMN-UHFFFAOYSA-N 432.568 5.295 0 40 IKAB NC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(C(F)(F)F)c1 44087848 CWLYTJZFVPIQRR-UHFFFAOYSA-N 446.281 5.442 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1Cl 46022291 HPFGOVMJHSXSKI-UHFFFAOYSA-N 432.014 5.943 0 40 IKAB O=C(Cc1csc(Cc2ccccc2)n1)N[C@@H]1CCCc2nc(-c3ccccc3)sc21 58099157 DWOSTHAGXJQPRY-HXUWFJFHSA-N 445.613 5.594 0 40 IKAB O=C(NC1(c2ccccc2)CCC1)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 58435602 KYCXQUIXAMGPPV-UHFFFAOYSA-N 437.893 5.166 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C)c(C)c3)nc3ccccc3c2=O)cc1OC 67260469 HOIWIUZBCZUPMO-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1C 71768741 SLBDVHFCMVBIPD-UHFFFAOYSA-N 436.558 5.144 0 40 IKAB Cc1cc2occ(CC(=O)Nc3ccc(CCN4CCC(O)CC4)cc3)c2cc1C(C)C 72304692 RDCMCHHKBPZQSW-UHFFFAOYSA-N 434.580 5.045 0 40 IKAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1c2ccccc2CC[C@H]1n1ccnc1 79110605 HWDARVXSCHCIEF-TZIWHRDSSA-N 449.461 5.083 0 40 IKAB O=C(NCCc1cccnc1)c1cc2ccc(-c3cccc(Cl)c3)cn2c1-c1cocn1 96155481 ONBYRFWGVDPKOA-UHFFFAOYSA-N 442.906 5.282 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1c(NC2CCCC2)c2ccccc2oc1=O 96315527 YUPYBVNTGDMNRV-UHFFFAOYSA-N 427.888 5.454 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 102681686 ZCLHYOSGLYGZBR-BOUXLOLZSA-N 444.457 5.157 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccccc4)oc3c2)cc1 205414249 BZOWWKVCNZWOAY-UHFFFAOYSA-N 431.517 5.409 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)(C)C)cc1 222394257 LOWRYCGMNWYBMA-RUZDIDTESA-N 436.640 5.557 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 222506846 MJCOIUFTYPSKNS-NRFANRHFSA-N 433.017 5.073 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CCCSc1ccc(Cl)cc1 222697417 DLKZJDQMLNGGSX-UHFFFAOYSA-N 436.364 5.574 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 223094006 OSDDFGSBJDAYLB-CLJLJLNGSA-N 444.648 5.853 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1C1CCCCC1 223112281 MKEMVBKSEBNDQK-XZOQPEGZSA-N 435.618 6.131 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 223342690 XLDGGMSAYKLENQ-LOSJGSFVSA-N 442.588 5.314 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224003228 PKMLZAFXSXXZND-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224174650 JBONYBDYGQLWRS-UHFFFAOYSA-N 433.548 5.510 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224194029 CSPSPVXHXDPDEU-QFIPXVFZSA-N 436.640 5.415 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1C(C)C 224229767 SNPZBPRJOPBHNE-UHFFFAOYSA-N 444.358 6.957 0 40 IKAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1N(C)S(=O)(=O)c1ccccc1 224289024 HEKUDLRFGKKJHR-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)CC1 224345736 DOYXRQWPDJCNCK-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)c(C)c1 224543360 GAVNUCGFUOKTEC-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccc(OC)cc2)cc1Cl 224563612 BGCXJGVAVXILDU-UHFFFAOYSA-N 432.303 6.445 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 224575925 TYJSKDPCOCHPEP-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583581 LLAGUNCEGGYMJY-XMMPIXPASA-N 446.994 5.603 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@H]3CC[C@@H]([C@@H](C)CCCC(C)C)[C@]3(C)CC[C@H]12 253612448 QGGRDHGCNNAWIE-PWWQYVALSA-N 444.700 7.218 0 40 IKAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1c1ncc(Cc2ccc(Cl)cc2)o1 257227123 FNUHINOMQZVIHB-QFIPXVFZSA-N 431.923 5.834 0 40 IKAB Cc1cc(CCCC(=O)N2CCC[C@@H](c3cncc(Nc4ncccc4C)n3)C2)ccc1F 257295000 QWOFUMAGZIVJPS-OAQYLSRUSA-N 447.558 5.100 0 40 IKAB CCN(CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2)c1ccccc1 408549329 XLNWNRSDMOYJBR-UHFFFAOYSA-N 433.577 5.344 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(F)cc2)n(CC)c1-c1ccc(Br)cc1 408559690 BDOUIVYWDVSYMU-ATJXCDBQSA-N 433.346 5.442 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc(Cl)c1OCC 408620945 NACSKZXQGSOZTE-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)cc4)cc3)CC2=O)cc1 408641467 LRYLOMWYKYBOED-LJQANCHMSA-N 430.504 5.178 0 40 IKAB CC(C)c1ccc([C@@H](CC(=O)c2ccc(F)cc2)Nc2ccc(Br)cc2)cc1 408718164 NOIRZIQMWFEILG-HSZRJFAPSA-N 440.356 7.138 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970327 GBJJACBCRLQZAA-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB CCc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 408973709 PNGXSIZXEUGVMP-AREMUKBSSA-N 430.573 5.318 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409148703 ZXDJVDOYSMFWJM-JMIUGGIZSA-N 428.916 5.927 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Cl)Nc1ccc(Cl)cc1 409379698 ZNTHCFUDZBISGL-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB CC(=O)N1CCCCCCCN(CCC(C)C)Cc2cc(-c3ccc(C(N)=O)cc3)ccc21 643570707 IZWFKAXDMFHEHL-UHFFFAOYSA-N 449.639 5.618 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 648728 NAIIJMSYDHFDNY-GOSISDBHSA-N 448.592 5.637 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2)c1C 778364 MGWAJCLYOJAWGZ-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB O=C(Nc1ccccc1)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccccc1 842024 LYFJTNDIUWCUNA-PAIGMYNKSA-N 444.534 5.787 0 40 IKAB CCCc1nc2ccc(NC(=O)c3ccccc3)cc2c(=O)n1Cc1ccccc1Cl 930761 UVBIWYZFWNHQSV-UHFFFAOYSA-N 431.923 5.303 0 40 IKAB COc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353172 YDPBYRLKWGCEGM-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB O=C1C(Cl)=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 1786211 QEGXCVCGOBUMKJ-UHFFFAOYSA-N 439.298 5.564 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(Cl)c(Cl)c1 1842694 PERRIRTVKWYJSQ-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB Clc1ccc(CSc2nccc(-c3ccc(-n4cnc(Cl)c4Cl)cc3)n2)cc1 2155535 LUWOLEUZQAFMIW-UHFFFAOYSA-N 447.778 6.582 0 40 IKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(OC(F)(F)F)cc2)cc1 2235502 ZCHKJFFRQYSFHS-UHFFFAOYSA-N 436.393 5.543 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N2CCS[C@@H]2c2ccc(Cl)cc2Cl)cc1 2237282 SULBQXSQLGJCKC-QGZVFWFLSA-N 441.405 5.615 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)c3)nc2c1 2594276 AEUFEIDVRCSVSE-QGZVFWFLSA-N 446.978 8.037 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1 2632280 FVGFCDILBFZIOI-UHFFFAOYSA-N 428.488 5.702 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 2737485 HDPCXCVSOTVZHO-UHFFFAOYSA-N 448.009 6.623 0 40 IKAB CC(C)(C)c1cc(C(=O)OCC(=O)Nc2ccc(Br)cc2)cc(C(C)(C)C)c1 3216379 HNUYPAOLEDNXRP-UHFFFAOYSA-N 446.385 5.840 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2Cl)oc1NCCc1ccccc1 3254640 CSGNPRMSUCZWQG-UHFFFAOYSA-N 438.936 5.482 0 40 IKAB Clc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccco2)cc1 3286479 ORQGKPAUPJBFRQ-UHFFFAOYSA-N 436.751 6.780 0 40 IKAB CC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4cccc(C(F)(F)F)c4)c3s2)cc1 3288243 GGFLMZPHHDGMIZ-UHFFFAOYSA-N 443.450 5.869 0 40 IKAB O=C(Nc1ccc(SC(F)F)cc1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3374292 MMXQXDLRAQDWFO-UHFFFAOYSA-N 437.471 5.012 0 40 IKAB Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)c1 3658669 GMPTYJBHCDGUNE-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB Cc1cc2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C 6320643 YBUORAJAKFYPPF-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB CC1(C)[C@@H](N(O)C(=O)NC2CCCCC2)N(C2CCCCC2)C(=O)N1C1CCCCC1 6681169 QXOZXBNHYGEBIF-OAQYLSRUSA-N 434.625 5.228 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)/C=C\c1ccccc1)c2-c1cccc2ccccc12 8442255 ZHYCDPOQKOCTHY-HIXXDTDZSA-N 434.583 7.694 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccc(C)cc2)CC1=O 8755302 SEDCEESSNFKADP-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB CCCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(C)cc3)cc12 8870361 WNIVMEVZQFZLOM-UHFFFAOYSA-N 429.538 5.506 0 40 IKAB C[C@@H]1CN(c2cc(CSCc3ccc(Cl)cc3)nc(-c3ccccc3)n2)C[C@@H](C)O1 8888130 PSPHUECQDMWRKR-QZTJIDSGSA-N 440.012 5.844 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2cccnc2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 9087420 BXODJYQDWSDBPX-SBUREZEXSA-N 442.544 5.379 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)cc1 9345299 KZQJCJGEEUZWJX-UHFFFAOYSA-N 437.956 5.323 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4c(Cl)cc(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1 9452254 ZFMYNFJXYJLGLB-GOSISDBHSA-N 441.270 5.454 0 40 IKAB Cc1ccsc1CN(C)C(=O)CSc1ncnc2scc(-c3ccccc3)c12 9515542 ZNPINXCVKHDLLY-UHFFFAOYSA-N 425.604 5.479 0 40 IKAB CCn1c(Cc2ccc(OC)c(OC)c2)nnc1SCc1ccc(Cl)cc1Cl 9584485 CPISQMCDRFHNFL-UHFFFAOYSA-N 438.380 5.505 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1SCC(=O)N1CCCC1 9726188 HRTNFZOEFCXCPE-UHFFFAOYSA-N 432.545 5.446 0 40 IKAB Nc1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C[C@H](c1ccc(Cl)cc1Cl)N2 9805326 HEDRGVJCZWTCTD-KGLIPLIRSA-N 429.138 5.620 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1SCc1ccccc1 10336885 BOPHJIYHZNVZEZ-UHFFFAOYSA-N 427.594 7.382 0 40 IKAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 10434539 GDECOISQDRHFSI-HSZRJFAPSA-N 440.503 5.229 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)N2CCCCCC2)cc1Br 12137502 PPHIAWRQYFGSFT-UHFFFAOYSA-N 441.435 5.299 0 40 IKAB CCC(C)(C)[C@@H]1CCC(=O)[C@@H]([C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 12418577 GODSADNWHHFTCY-JJHGTGHCSA-N 439.983 5.496 0 40 IKAB COc1ccc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)cc1Br 12911342 NXZZNVBYDKCTGH-SFHVURJKSA-N 434.380 5.369 0 40 IKAB CCc1cc2c(COC(=O)c3c4c(nc5ccccc35)CCCCC4)cc(=O)oc2cc1O 13038188 PKZADTVQLOUJNN-UHFFFAOYSA-N 443.499 5.235 0 40 IKAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc(CSc3nc4ccccc4s3)cc2)C1 13096608 JIVGVTRREBSZOB-MRXNPFEDSA-N 440.590 5.004 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc(OC(F)F)cc3)c2n1 13148909 ZVYNIKQESRCUSJ-UHFFFAOYSA-N 427.234 5.469 0 40 IKAB COc1cccc([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)c1OC 13305948 NUQHSPZVZCBSDR-QFIPXVFZSA-N 443.528 5.236 0 40 IKAB C[C@H]1CCCCN1C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 13574238 CHLRAUZNHLSBRI-JTQLQIEISA-N 428.867 5.145 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 14155801 PJGACHSOAPSJJZ-RIYZIHGNSA-N 440.952 5.410 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2F)cc1OC 15007956 IKGSGPIEMISMQY-UHFFFAOYSA-N 447.098 5.010 0 40 IKAB O=C1C[C@H](c2cc(Br)ccc2F)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15107120 IBHSGVMCGIXWOB-CYBMUJFWSA-N 446.297 5.489 0 40 IKAB Cc1cccc(C)c1N1CC(=O)N(c2ccc(Br)cc2)[C@@H](c2ccccc2)C1=O 15412405 WFZWLAXJYZUBNU-QHCPKHFHSA-N 449.348 5.187 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=O)c1cccc2c(Br)cccc12 16157642 WHNFEJGCIRVIBQ-UHFFFAOYSA-N 433.143 6.234 0 40 IKAB CCOc1ccccc1C(=O)N[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1Cl 16693424 BMDXWQZLJBZYDC-NRFANRHFSA-N 433.895 5.308 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@@H](c2nc3ccccc3s2)C1 16694937 RFZNBOLSKBZJLM-CQSZACIVSA-N 444.482 5.071 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2nc3ccccc3s2)cc1 17100980 NLAVSHKNVGWKSZ-UHFFFAOYSA-N 436.964 6.091 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cscn3)cc2N1 19083325 LALWJGVKPNTNAD-OWCLPIDISA-N 441.523 5.041 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(C(C)C)cc2)S(=O)(=O)c2ccccc2)cc1C 19946832 RXSRPKRTIBTTTO-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(CSc2ccccn2)c1 20111968 PIAKGGWHCINPNY-XMMPIXPASA-N 431.561 5.108 0 40 IKAB biogenic CCOc1cc(CN[C@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 22074152 SUMIOHNHGAUQCP-QGZVFWFLSA-N 430.375 6.822 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(C)cc2C)cc1 22275383 VELPZXRWUXYYQB-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)o2)cc1 23587229 RQJGDSDYJUHRFC-UHFFFAOYSA-N 444.896 5.042 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@H](c1cccs1)N1CCCC1 27608313 GJQQXCKMBPIGCS-MRXNPFEDSA-N 433.936 5.071 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1F)c1ccc(Cn2cc(Br)cn2)cc1 27969822 FGPDXDLROXKOKF-UHFFFAOYSA-N 442.210 5.104 0 40 IKAB COc1cc([C@H]2Nc3ccccc3-c3nc4ccccc4n32)ccc1OC(=O)c1cccnc1 28795733 BUCSLMJLPZORSB-VWLOTQADSA-N 448.482 5.299 0 40 IKAB COCCn1c(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc2cc(Cl)ccc21 29794693 FESVQMWHIVTQBE-ZDUSSCGKSA-N 444.944 5.248 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)sc2c1 32118858 NAQMOJXPSWNIJR-UHFFFAOYSA-N 441.622 5.801 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1C 33026569 KHHSUEHLKRKKJL-UHFFFAOYSA-N 430.533 5.248 0 40 IKAB Cc1ccc2c(nc3s/c(=C/c4cc(C(C)(C)C)c(O)c(C(C)(C)C)c4)c(=O)n32)c1C 33534997 AGBMNMJNRNDBIV-DEDYPNTBSA-N 434.605 5.374 0 40 IKAB CC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@@](C)(CNC(=O)CCC2CCCCC2)C1 38193947 ISCATKGXTNHYCZ-RBJSKKJNSA-N 446.720 6.525 0 40 IKAB C[C@H](Oc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)cn1)c1ccccc1 40143315 HBNGNEQSSKYACU-SFHVURJKSA-N 427.504 5.383 0 40 IKAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCCC1)c1cc(Cl)c2c(c1)OCCCO2 58332015 VPAHOUUZYHUDEY-UHFFFAOYSA-N 449.334 5.033 0 40 IKAB COc1cccc(Cn2c(SCc3ccccc3C)nc3c(oc4ccccc43)c2=O)c1 67259823 YOAWZKFKZDICCC-UHFFFAOYSA-N 442.540 5.800 0 40 IKAB COc1ccc(CN2CCc3nc(-c4cccc(C(F)(F)F)c4)sc3C2)cc1OC 72391981 BDLSGXLMNSTMRN-UHFFFAOYSA-N 434.483 5.404 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2nsc(Cl)c2Cl)C1 72396216 RHGQUTVGHODAQN-CQSZACIVSA-N 435.380 5.138 0 40 IKAB CC1=C[C@@H](CN2C(=O)C3=C(CCCC3)C2=O)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262079 AZBKKELNGXLHNF-JTAQYXEDSA-N 445.607 5.508 0 40 IKAB biogenic,in-vitro CCC(=O)N1N=C(c2cccc(Cl)c2)C[C@@H]1c1cc2ccc(OC)cc2nc1Cl 89941548 QBGZZZAEZKYRMA-HXUWFJFHSA-N 428.319 5.638 0 40 IKAB CC(C)n1cnc([C@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 96156372 NFTGJEHPZSQUQW-RDPSFJRHSA-N 443.595 5.026 0 40 IKAB Cc1ccc(-n2cc(-c3nc(-c4cccc(Cl)c4)no3)c3ccccc3c2=O)cc1C 96324351 OQSMNOFPTWAVNT-UHFFFAOYSA-N 427.891 5.978 0 40 IKAB O=C(Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccccc1 101018318 MZCLQBGRICEWKJ-OAQYLSRUSA-N 427.895 5.240 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102486226 AZJDBVZMSCDYJU-PPHZAIPVSA-N 426.516 6.333 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccncc4)Oc4ccc(Br)cc4[C@H]3C2)s1 102727636 UETCPJUTMOAIOM-XLIONFOSSA-N 426.339 5.456 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C\Nc3c(C)cccc3C)c3ccccc3C2=O)cc1 102994967 JXYWWEDPUAHCHM-KQWNVCNZSA-N 440.499 5.120 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C 118924342 ISNRJHYMWLUQIR-ZLYBWVRESA-N 436.592 5.639 0 40 IKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2)n1 170564657 KORNZSQQNKHIHD-UHFFFAOYSA-N 444.922 6.535 0 40 IKAB O=C1S/C(=C/c2cccc(Cl)c2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214882982 OJBCQMPNNFAQCP-VGOFMYFVSA-N 433.143 6.537 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1ccc(OCCSc2ccccc2)cc1 219265586 ITBWMZHHYZVKND-XMMPIXPASA-N 447.600 6.198 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccccc1Cl 219455430 HGHUKRJORUEUNO-UHFFFAOYSA-N 438.980 5.283 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 222631916 XVZRKALMNTYTBO-OUWQEXSBSA-N 430.360 6.238 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(Cl)cc1 223685475 VESYXTWBHDWMRJ-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1cc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)ncc1Br 223977120 TYGIFETTWTUGOT-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB COc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(Cl)c(C)c1 224207506 XQHWGIMLJSPPAK-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 224524369 GDHYJYOOSKOAPL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)c1 224539511 QDTHMOGDBJFJAR-DNQXCXABSA-N 426.545 5.058 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 224761904 SUKYMTBPOMTCSW-IBGZPJMESA-N 426.988 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 225056136 BANIKPKXPOZHCF-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 225577721 STVUVWSMIUBGOQ-XUZZJYLKSA-N 440.653 5.340 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C(F)(F)F 225751861 DWJCYZOUTWWGNM-UHFFFAOYSA-N 432.269 6.471 0 40 IKAB CO[C@@H](C[C@@H](C)C(=O)Oc1cc(Cl)ccc1Cc1ccc(Cl)cc1Cl)C(=O)O 248182336 ZKFBRKHIPWOLIH-ZMZPIMSZSA-N 445.726 5.269 0 40 IKAB CNC(=O)C1(Cc2ccc(-c3ccccc3)cc2)CCN(C(=O)CC2CCCCC2)CC1 257267860 MJBRKMQNIYOYJT-UHFFFAOYSA-N 432.608 5.221 0 40 IKAB CCc1nnc(S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C(=O)O)o1 408631541 KEKZZVWOZMWVHO-WQRHYEAKSA-N 446.912 5.091 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccccc1 408697702 LFHHCKPIVABEMH-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(C)cc2)cc1 408699238 VRVFLTSUBOTNAY-UHFFFAOYSA-N 434.499 5.657 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)cc2)cc1-c1cccc2ccccc12 408725008 NNPUCTVLDBVIGB-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3cccc(F)c3)sc2c1 408749654 IGRNWRGGSBSEKH-CALCHBBNSA-N 426.538 5.407 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cn(C)c3ccccc23)C1=O 408819838 UFOCICRTZRJXMD-PMYYKUPUSA-N 430.597 6.232 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409116541 OCAQPJYVTYBGNL-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB Cc1cccc(OCc2ccc(C(=O)OCC(=O)c3ccc(Cl)cc3Cl)cc2)c1 409182284 JRGFDOPPIPFQBY-UHFFFAOYSA-N 429.299 5.921 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)c(C)c1 409370078 KPDMLUBZHZOCPE-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccc(C)c(C)c2)CC1 585166194 WQHSZDUFCXFXHG-UHFFFAOYSA-N 441.619 5.326 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3cc4sccc4n3CC3CCCCC3)cc2)CC1 2037849997 FGYWVLJKCRZJHA-UHFFFAOYSA-N 436.625 5.287 0 40 IKAB Cc1cc(C)c2c(c1)c(C)cc1nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n12 902959 ABFJMQXECPPSPZ-UHFFFAOYSA-N 444.482 5.557 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NC3CCCCC3)cc2c1 1327690 LCQABBCBWWEULB-UHFFFAOYSA-N 447.579 5.014 0 40 IKAB COC(=O)c1c(C)cc(OC)c(C/C=C(\C)CCCc2coc(C=C(C)C)c2)c1OC 1578029 JFBRWQVSNGZWSC-WOJGMQOQSA-N 426.553 6.327 0 40 IKAB O=C(Oc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)c1ccc(Cl)cc1Cl 1583653 KEWARCLVRHWTHO-UHFFFAOYSA-N 439.336 7.480 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)c(C)c1 1838376 UFFWSOFSGBNZCF-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB c1ccc2oc(-c3cc(-c4nc5ccccc5o4)cc(-c4nc5ccccc5o4)c3)nc2c1 2086529 UJGDDUUUOXGZDY-UHFFFAOYSA-N 429.435 7.111 0 40 IKAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccc(Cl)c(Cl)c4)nnc32)cc1Cl 2211344 FBOFDYDGKYGPIU-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB Cc1ccc2nc(-c3ccc(C)c(NC(=O)c4ccc(-c5cccc(Cl)c5)o4)c3)oc2c1 2231547 QCOYAXDBPFEFHE-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 2258038 AEFSXOWOESTXCX-UHFFFAOYSA-N 447.369 7.240 0 40 IKAB Cc1cc2c(cc1-c1c(C)oc3c(C)c(OCc4ccccc4)ccc3c1=O)OCCO2 2353822 BDQGAAYMAYPASY-UHFFFAOYSA-N 428.484 5.735 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 3012873 LCFBKBPNDGPVOP-UKRRQHHQSA-N 444.335 5.408 0 40 IKAB CSc1nn(-c2ccc(C(=O)OCCCC(=O)c3ccccc3)cc2)c(=S)s1 3218039 OYZNPWXPTCCPNN-UHFFFAOYSA-N 430.576 5.205 0 40 IKAB CC(C)(C)c1ccc(C=C(C(=O)NCc2ccccc2)C(=O)NCc2ccccc2)cc1 3265799 KTDBRWYRFDQJQO-UHFFFAOYSA-N 426.560 5.000 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](NCc1ccc2c(c1)OCO2)c1ccccc1 3293194 SPQAZJOZRLEVSG-OAQYLSRUSA-N 429.303 5.192 0 40 IKAB O=C(NC1CC1)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 3323326 AXIKHOXEQPKEQP-UHFFFAOYSA-N 444.556 5.395 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(OC(F)(F)F)cc1 3326896 NFUIHZGQIRBXLE-KRXBUXKQSA-N 434.197 5.087 0 40 IKAB COc1ccc(CC(=O)N(c2nc(-c3ccc(C)cc3)cs2)c2cc(C)ccc2C)cc1 3340373 AQQPJJFAAOYSME-UHFFFAOYSA-N 442.584 6.651 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)N(Cc1ccccc1)Cc1ccccc1 3354666 DNHNPGYMWAKBEP-UHFFFAOYSA-N 440.499 5.036 0 40 IKAB CCCCC(C(=O)Nc1ccc(OCCC)cc1)C(=O)Nc1ccc(OCCC)cc1 4784637 RHNBAQCDHQTMPK-UHFFFAOYSA-N 426.557 5.648 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)ccc4C)cc3c2C1 5508712 YGUDNDMRQRUJAA-GOSISDBHSA-N 425.594 6.392 0 40 IKAB CC[C@H]1CCCCN1C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 6821462 GAVAQGGJNJFTMV-HNNXBMFYSA-N 435.515 5.144 0 40 IKAB Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccnc4)c12)CCC3 8427323 YXECNSONDDTWNN-UHFFFAOYSA-N 429.589 5.828 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)Nc1ccc(Br)cc1Br 8432249 AEWLKMSKMUIFGF-QHHAFSJGSA-N 449.957 6.170 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cccc(C(F)(F)F)c2)sc2c1CCCCC2 8589816 XQLVIQFLYWLGCY-UHFFFAOYSA-N 441.471 5.230 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)c1 8752555 ZTCGBWNJRGFJEO-SFHVURJKSA-N 431.923 5.267 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903846 QAALAJVCLBHCPA-UHFFFAOYSA-N 432.476 5.553 0 40 IKAB CCc1ccc(-c2n[nH]c(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)n2)cc1 9053327 APQGXFOWTKEUNJ-JOCHJYFZSA-N 444.560 5.515 0 40 IKAB Cc1ccc([P@](=Nc2cccc(C(=O)O)c2)(Oc2cccc(Cl)c2)C(C)(C)C)o1 9086747 RBMHMKCSLWALAQ-LJAQVGFWSA-N 431.856 6.890 0 40 IKAB O=C1[C@H](C[C@@H]2CCC[C@H](C3(Cl)CCCCC3)C2=O)CCC[C@@H]1C1(Cl)CCCCC1 9144895 LIEKHNOVNVFJAU-TUFLPTIASA-N 441.483 7.231 0 40 IKAB CSc1nc(NCCC(C)C)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 9210314 VMPPSLHRAHGPRD-UHFFFAOYSA-N 444.670 6.394 0 40 IKAB CCOc1cc(-c2nnc(NC(=O)c3cccc4ccccc34)o2)cc(OCC)c1OCC 9274830 VMAMVZMAWGJNEA-UHFFFAOYSA-N 447.491 5.338 0 40 IKAB Cc1cccc(NC(=O)CSc2cc(C(C)(C)C)nc3c(-c4ccccc4)c(C)nn23)c1 9345142 QWEKGRJECRCYLZ-UHFFFAOYSA-N 444.604 6.041 0 40 IKAB Cc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1C 9607345 MKLCNYJLYMHZKW-OAQYLSRUSA-N 432.911 5.918 0 40 IKAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9798316 IPTHQLKJPNXHDL-KRWDZBQOSA-N 432.501 5.305 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccc(-c2ccccc2Cl)o1 9813565 OWKUZJPYEHKJAO-UHFFFAOYSA-N 432.911 5.837 0 40 IKAB Cc1ccc2c(c1)Cc1c(nc(-c3ccccc3)nc1SCC(=O)N1CCCCC1)O2 9859291 LTKWIEROASRAMT-UHFFFAOYSA-N 431.561 5.253 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 9972601 RXOPJDMCEVTVTD-LPXFMOJISA-N 449.931 5.902 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)/C(=N/N=C/c3ccccc3C(F)(F)F)CC[C@H]12 10272287 FHIHDASURXFVSB-IFCCTIBOSA-N 444.585 7.913 0 40 IKAB O=c1c2ccccc2nc(SCc2nc(-c3ccccc3)no2)n1-c1ccc(F)cc1F 10441859 IOWFQIPHSJANPA-UHFFFAOYSA-N 448.454 5.006 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cc(C)cc(C)c3)oc12 12437477 HFNHPIPANWITRF-QPLCGJKRSA-N 433.529 5.432 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nnsc2Cl)cc1 12557508 UEQSTNAYHIXENC-UHFFFAOYSA-N 434.377 5.309 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)/C=C/c1ccc(N2CCCS2(=O)=O)cc1 12765021 XYJLKUOWXAKBAR-SDNWHVSQSA-N 426.582 5.125 0 40 IKAB CC(=O)N(c1nc(/C=C(\Cl)c2nc3ccccc3s2)cs1)c1c(C)cccc1C 13002251 CSHFLOFPUTWEHK-BOPFTXTBSA-N 439.993 6.791 0 40 IKAB O=C(CSc1nnc(C2CC2)n1Cc1ccccc1)N(Cc1ccco1)C1=CCCCC1 13115735 ZYXYAPWLMDDIHD-UHFFFAOYSA-N 448.592 5.376 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1 13119631 BWELKUYWTJPBDZ-OZXSUGGESA-N 428.532 5.435 0 40 IKAB CC[C@H](C)N(C(=O)NCCCCCCNC(=O)N([C@@H](C)CC)[C@H](C)CC)[C@@H](C)CC 13303251 IKUIGTIMDRBBOP-MYGLTJDJSA-N 426.690 5.764 0 40 IKAB Fc1ccc(-c2cc3nc4c(c(N5CCC(Cc6ccccc6)CC5)n3n2)CCCC4)cc1 13562779 RTRDKQSIXKYIFC-UHFFFAOYSA-N 440.566 5.873 0 40 IKAB O=C(O/C(=C\c1nc2ccccc2n1Cc1ccccc1)c1ccccc1)c1ccccc1 13590341 DMQWWJXOLRGXSL-OOAXWGSJSA-N 430.507 6.440 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708485 LRFZTUMDABVEAC-CQSZACIVSA-N 431.273 5.159 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C)oc1ccccc12 14066761 KDTPATQGZJJDBW-QHCPKHFHSA-N 431.492 5.379 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N(Cc1ccco1)C1=CCCCC1 14140547 DEXNVKYHCFVVLE-UHFFFAOYSA-N 440.594 5.513 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)c1C 14154853 AXHDXVOKASWSGT-UHFFFAOYSA-N 437.005 5.168 0 40 IKAB CC(C)N(C(=O)Cn1nc(-c2ccccc2)n(-c2ccccc2)c1=S)c1ccccc1 16768615 MZCHSHDFMHDMAM-UHFFFAOYSA-N 428.561 5.512 0 40 IKAB Cc1ccc(C(=O)Cn2nc(COc3ccccc3)n(-c3ccc(C)cc3)c2=S)cc1 16769122 ZONIISBLRSDMDN-UHFFFAOYSA-N 429.545 5.482 0 40 IKAB COc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2ccccc2c1Br 17094253 JYPDYUVPCXYOSQ-UHFFFAOYSA-N 425.109 6.170 0 40 IKAB CCn1c(SCc2csc(-c3cccc(C)c3)n2)nnc1-c1ccc2c(c1)OCO2 17100553 LIFXFFUIAGYACD-UHFFFAOYSA-N 436.562 5.418 0 40 IKAB CCCCc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3)o2)cc1 17102885 PYNCDDWESGSDEV-JQIJEIRASA-N 438.980 6.469 0 40 IKAB Cc1cc(NC(=S)NC(=O)/C=C/c2ccccc2)cc(-c2nc3ccccc3s2)c1O 19643863 PDDSJFWJICZCEX-VAWYXSNFSA-N 445.569 5.504 0 40 IKAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1)CCCC2 19690114 KVXUMBZJSNVERB-OAQYLSRUSA-N 448.542 5.106 0 40 IKAB COc1ccc(OC)c(CC(=O)N2CCC[C@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)c1 19691458 IIPNRVOWSPFPIY-DEOSSOPVSA-N 434.511 5.120 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20105759 FCBKPNMUPQZVNO-IGKIAQTJSA-N 442.584 5.268 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 21580746 WARKYGKUKOXPIW-UHFFFAOYSA-N 429.520 5.554 0 40 IKAB O=c1[nH]c(CN[C@H](c2ccccc2)c2ccc(OC(F)F)cc2)nc2cc(Cl)ccc12 23909435 LBAJHCUNKVCZFK-OAQYLSRUSA-N 441.865 5.057 0 40 IKAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cccc(C)c1C 33013052 PPQBUKAOVZBZDB-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CC[C@@H](NC(=O)c1cccc(COCC(F)(F)C(F)F)c1)C12CC3CC(CC(C3)C1)C2 33580377 CZCMGTWILXREHC-ZTLYHTANSA-N 441.509 5.828 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)cc(Cl)c1O 57314104 LKYRYUYQOAVISO-VQHVLOKHSA-N 433.316 5.485 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 57774986 DAFCUJRRETVFLT-IBGZPJMESA-N 431.540 5.397 0 40 IKAB Cc1ccc(OCc2nnc(SCc3csc(COc4ccc(C)cc4)n3)o2)cc1 58733506 RSHOEVHIIZTOTA-UHFFFAOYSA-N 439.562 5.593 0 40 IKAB O=C(N[C@@H](c1cccnc1)c1ccc(F)c(F)c1)c1csc(-c2ccccc2F)n1 78418071 MWVDJYGRTHBXHL-HXUWFJFHSA-N 425.435 5.142 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 100426174 JLKBRYAXGXRAFH-HFJWLAOPSA-N 430.935 6.978 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)OCC(=O)c5ccc(Cl)s5)(C4)C2)C3)cc1 102741819 GTRGATRIXUCMAU-GAAJCNLQSA-N 428.981 5.974 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 107041863 GWWOTIFVLWMGGZ-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CC[C@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(C)cc1 216233733 HACFTXIFZWPKDG-QFIPXVFZSA-N 449.016 5.094 0 40 IKAB CCCCc1ccc(NC(=O)[C@H](C)N(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)cc1 220434714 LXQZCXFSYWLWRJ-AWEZNQCLSA-N 443.396 5.129 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 222556363 CPYUOIAAANIDMX-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 223087897 HQKHZKXJXKYCSK-DNQXCXABSA-N 434.609 5.446 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 223212306 UGPPXNTVDLFTEH-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1C 223359294 DCZLFYHSODIXOI-ZEQRLZLVSA-N 428.561 5.255 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 223416010 ITRSSSRVMCSTPF-UHFFFAOYSA-N 433.555 5.483 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 223944634 KZJJJYRFMHDROZ-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](c3ccccc3C)C(C)C)cc2)cc1 223972172 LPEIRUXGZWIPMI-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224154473 XTWLWORTCCJFRR-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccccc1OC 224241872 VANBKSYGQGGZRD-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 224501825 CRAZUUNNCMEFCM-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc(OC)c1 224588598 CZZPBQYJJASHSV-UHFFFAOYSA-N 429.875 5.718 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224616079 KGVXJJYNSQKVFY-JOCHJYFZSA-N 445.603 6.341 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224643506 NQCMFWBKEZLLKB-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 225302056 QUVPCCZCRLPKMS-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(C)cc1 225494369 MXGWPNLOFTWXEL-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225786418 SYTRRWGQGDCYTJ-GOSISDBHSA-N 438.618 5.741 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)cc12 257291327 QGMJUTRIYQAWGA-QGZVFWFLSA-N 449.938 5.429 0 40 IKAB C[C@@H]1CCCN(c2cc(N3CCCC[C@H]3C)nc(NC(=S)NC3CCCCCC3)n2)C1 260712602 JKMSFRNKPYCWGO-RTBURBONSA-N 444.693 5.101 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(C)cc1 408564132 YDOJLYFVIREHCB-LNVKXUELSA-N 429.383 5.611 0 40 IKAB Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1S(=O)(=O)Nc1ccccc1 408580733 RLJTZOBCHVBUQR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 408625037 WORIIUPRLRZZFA-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB COc1ccc(OC)c(CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 408749699 IWJYQVMLGNWUPH-UHFFFAOYSA-N 436.558 5.858 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409117475 NVOIGERXBWSYEQ-UHFFFAOYSA-N 445.968 5.654 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(Cc3ccccc3)c3ccc(Br)cc23)C1=O 409130498 HWGDWNJMMWBCKU-GRSHGNNSSA-N 441.350 5.508 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1 409205690 FCIKTDCXYSKEMH-UHFFFAOYSA-N 434.275 5.594 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409205935 RJWDJIHIVOBDDM-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1 409227258 UUMNDAYIXLANNW-MOSHPQCFSA-N 435.526 5.658 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3cc(C)cc(C)c3OC(C)(C)[C@H]2C[C@@H]1C(=O)O 585264843 QKVAUXVGSYQMFA-YALMDMJRSA-N 438.564 5.653 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cccc(Cl)c4)sc3n2)cc1OC 1026527 CZCANYVPUPMJKN-UHFFFAOYSA-N 439.924 5.468 0 40 IKAB COc1cccc(-c2noc([C@@H]3CCCN(C(=O)c4ccc(-c5ccccc5)cc4)C3)n2)c1 1360409 QWCSYTLWPHDBCR-HSZRJFAPSA-N 439.515 5.432 0 40 IKAB Cc1ccc([C@H]2Oc3ccccc3-c3c(C)c(-c4ccccc4)n(Cc4ccccc4)c32)cc1 2060472 ZXOZPEWXMVGWBG-JGCGQSQUSA-N 441.574 7.969 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1cccc(F)c1)N(C(C)=O)c1ccccc1-2 2104001 UCJYDFZYJAOEAJ-QFIPXVFZSA-N 438.528 5.404 0 40 IKAB CCC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(=O)OCC)CC[C@@H](C)C3)cc1 2183503 PLFJJXVLJSSGHX-SJORKVTESA-N 443.609 5.971 0 40 IKAB Clc1ccc(Nc2nc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1Cl 2266705 AXCXVPMKYYUOAD-UHFFFAOYSA-N 435.141 7.654 0 40 IKAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3137878 OSYLBJNSFICWEI-UHFFFAOYSA-N 445.146 5.993 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nc2ccccc2c1=O 3285842 BETVTUSNYKYTTB-UHFFFAOYSA-N 436.364 5.090 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1cc(Cl)ccc1N1CCCCCC1 3359743 QSVMPOGCIXDTDC-UHFFFAOYSA-N 434.967 6.405 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3370505 MJENLPPSXMAACP-KRWDZBQOSA-N 433.602 5.588 0 40 IKAB CCOC(=O)c1ccc(COc2nc3ccccc3nc2-c2ccccc2NC(C)=O)cc1 3644849 WHQJBGDHMOVNKG-UHFFFAOYSA-N 441.487 5.011 0 40 IKAB COc1ccc2o/c(=N\c3ccc(Cl)cc3Cl)c(-c3nc4ccccc4[nH]3)cc2c1 4417652 RFZRMDHPHBAFBN-NFFVHWSESA-N 436.298 6.524 0 40 IKAB CC1(C)CC[C@]2(C)CC=C3[C@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2C1 5699591 GGGUGZHBAOMSFJ-SGYIZDKUSA-N 426.729 8.169 0 40 IKAB in-man COc1ccc(Cl)cc1NC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 6187215 WEHFOAMNYVRSBD-UHFFFAOYSA-N 425.699 5.530 0 40 IKAB COc1cccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)c1 8385082 IVSVMTRYSPFHOR-JOCHJYFZSA-N 433.533 5.815 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 8708049 YBTIQAURMMFKBK-HSZRJFAPSA-N 447.991 5.885 0 40 IKAB CCCCCN1CC(=O)N2[C@@H](c3ccc(C(C)C)cc3)c3[nH]c4ccccc4c3C[C@@H]2C1=O 8742440 KGDQUXCNFWNAFW-SQHAQQRYSA-N 443.591 5.166 0 40 IKAB biogenic O=C1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccc(F)cc1 8756266 IVBKTUNGDDTUGI-OAHLLOKOSA-N 437.877 5.537 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9027636 CJWXHOGEJVVBBI-UHFFFAOYSA-N 430.415 6.317 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 9309544 FKNHDHNGXJQROV-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 9355480 IGSWLYDHXHOTNU-URAOTHONSA-N 442.562 7.152 0 40 IKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@@H]1CCCc2ccccc21 9463770 YXYCLRDQNZHQKU-SUMWQHHRSA-N 431.483 5.323 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc12 9546659 SUFDSFSFXRWWCA-HNNXBMFYSA-N 434.590 5.464 0 40 IKAB Cc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)n1C1CC1 9711842 KRLHNAVKZGVXAY-GOSISDBHSA-N 432.471 5.412 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCc4ccccc4Cl)c(C)c3cc2c1C 11867556 RJZKTBBTGPDSDQ-UHFFFAOYSA-N 437.923 5.675 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)c3ccccc23)c(OC)c1 12176764 HQNXAPAPTFYUAS-UHFFFAOYSA-N 445.544 5.353 0 40 IKAB Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccn2c1C(=O)c1ccc(F)cc1 12342060 NNNFYVBLXIVNDL-UHFFFAOYSA-N 441.384 5.163 0 40 IKAB COc1ccc2cc(CNC(=O)N[C@H](CCSC)c3nc4ccccc4[nH]3)ccc2c1 12540111 IMKXPRJKWVINJS-JOCHJYFZSA-N 434.565 5.018 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc(Cl)cc2Cl)cc1 12991472 CLUTULRLKJVCCZ-CYBMUJFWSA-N 435.380 5.490 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc(NC(=O)c2ccccc2)c2c(C)c(C)oc2n1 13002866 KSMICRPQAVTVQO-UHFFFAOYSA-N 446.532 5.131 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(NCc2ccc(Cl)cc2)sc1Cl 13026615 XDJRBWDIQDVXJR-UHFFFAOYSA-N 433.769 5.548 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685455 YXTDSUHEZOBPFP-WOJBJXKFSA-N 438.527 5.737 0 40 IKAB O=C(/N=S1/C[C@H](c2ccccc2)OC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1 13739359 BYYDKMLYDPRFPT-CUXXENAFSA-N 443.355 6.069 0 40 IKAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1 13995215 DCKVUPNHJDOTSQ-XCLFUZPHSA-N 443.956 5.122 0 40 IKAB O=C(c1sc2cc(F)ccc2c1Cl)N1CCc2sccc2[C@@H]1c1cccs1 14704108 DSSWKVWOEPVBQU-GOSISDBHSA-N 433.982 6.605 0 40 IKAB COc1ccc(F)cc1C(=O)COC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1 14846177 VATXFCPKSCSRMV-JKSUJKDBSA-N 427.497 5.144 0 40 IKAB Cc1cc(C(=O)CSC(=S)N2CCCC2)c(C)n1C(c1ccccc1)c1ccccc1 16043889 APHCWIMVHHWDIS-UHFFFAOYSA-N 448.657 6.039 0 40 IKAB CCc1cc(I)ccc1NC(=O)COc1ccc2ccccc2c1 16161237 TXLHPCANWGQGJD-UHFFFAOYSA-N 431.273 5.024 0 40 IKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@H](Cc4ccccc4)C[C@@H]32)C(=O)C1 16957434 WGENJQBZVYXURO-AUSIDOKSSA-N 435.995 5.668 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4cc(C)cc(C)c4)nc3c2)c1 17096593 KVFBYWLVBLOTAQ-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1Cl 17099223 ZZTONSBCPUOKTG-UHFFFAOYSA-N 434.879 5.990 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)C1 19373122 QQXBPYJRPMOVAM-IRLDBZIGSA-N 439.563 5.345 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1)c1ccccc1 20043099 GJXVHKSNLVTYLQ-NRFANRHFSA-N 449.016 5.032 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1F 20110215 CYVPIKUHMSKMTC-UHFFFAOYSA-N 441.524 5.164 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nn12 20609633 WWOWADWHDGOJLM-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNC23CC4CC(CC(C4)C2)C3)cc1 22073714 VAKMIINHPWCRET-UHFFFAOYSA-N 432.007 7.131 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)c(=O)c2cc(Cl)ccc21 22234877 RTVCEHGVXXEVTC-UHFFFAOYSA-N 430.118 5.887 0 40 IKAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)N(C)CCOc3ccccc3Cl)c12 22395556 FSAUUIFNAJNQHW-UHFFFAOYSA-N 439.874 5.142 0 40 IKAB Cc1ccc(C(=O)CCC(=O)N(C)Cc2c(C)nn(Cc3ccccc3Cl)c2C)s1 23732158 UPAHKDDTAKSYAS-UHFFFAOYSA-N 444.000 5.193 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)ccc1OCc1ccccn1 24775119 SAJSRJPLOVVDRX-UHFFFAOYSA-N 447.535 5.296 0 40 IKAB Cc1ccc2cc(/C=C3/N=C(c4ccccc4C)OC3=O)c(Sc3ccccc3)nc2c1 27573043 FWDCDJSMOCSDLB-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB Cc1nn2c(Nc3ccc(Br)cc3)c3c(nc2c1-c1ccccc1)CCCC3 27584938 PUOQCXPOJYBQOB-UHFFFAOYSA-N 433.353 6.090 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C)CCc4ccccc4)c(C)c3cc12 30819194 IJZNCJTYXUGPGO-QGZVFWFLSA-N 431.532 5.535 0 40 IKAB CCc1ccc([C@@H]2CC(c3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)=NO2)cc1 32934830 ITWATXILPAXGNQ-QHCPKHFHSA-N 428.919 6.277 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 33026589 VDJYXCIEPFZPAR-UHFFFAOYSA-N 430.533 5.248 0 40 IKAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834904 WOHCAZMQROVPCL-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38835011 WSJIWEBSWOQVJR-CYBMUJFWSA-N 432.178 6.151 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 48332802 LVNUNUFKMVYPBU-FCHUYYIVSA-N 442.588 5.250 0 40 IKAB CCOc1cc2c(cc1OCC)-n1cccc1[C@@H](c1ccc(OC(F)(F)F)cc1)NC2 54979032 YSARIKOVGNZOPH-JOCHJYFZSA-N 432.442 5.366 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)N(C)Cc2ccccc2N2CCCC2)c1C(F)(F)F 59368583 ZYZZXWQTQSZNAA-UHFFFAOYSA-N 442.485 5.072 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4ccc(Cl)c(Cl)c4)c(C)c3s2)n1 72228621 KHKOQKIIGTZUHF-UHFFFAOYSA-N 445.375 6.275 0 40 IKAB O=C(c1cccnc1Oc1ccc(F)cc1Br)N1CCC[C@@H](C(F)(F)F)C1 84358108 ZPDNXDNJMGCOEB-LLVKDONJSA-N 447.226 5.190 0 40 IKAB COc1cccc([C@H]2CC(c3cccs3)=NN2C(=O)c2ccc(Br)o2)c1 89469817 ASXHNJORRXBMER-OAHLLOKOSA-N 431.311 5.104 0 40 IKAB CCCCn1cc([C@H]2CC(=O)N(c3ccc(Br)cc3)C2=O)c2ccccc21 100288018 CBBRMVMRGSPZJN-GOSISDBHSA-N 425.326 5.251 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 214823363 PVXKYDFMZUMXNP-RGVLZGJSSA-N 444.339 6.392 0 40 IKAB O=C1S/C(=C/c2c(Cl)cccc2Cl)C(=O)N1Cc1ccccc1Br 215049624 JIEXCQHUPSANJM-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 222542839 ACWPQHAVHOCUOM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 222631404 ZDEOIUGNZYMWGO-BYYRLHKVSA-N 430.360 6.238 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 223013813 ZXRMIZHABVUHDU-LJQANCHMSA-N 446.827 6.162 0 40 IKAB COc1cccc(CN(C(=O)CCc2ccc(C(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 223053068 OPMDYBHQIIRPDI-HXUWFJFHSA-N 438.612 5.083 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1NS(=O)(=O)c1ccc(Cl)cc1 224052070 JZXJEZDHKJOFCV-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1C(C)C 224229984 WOKYUVMATAWCLC-UHFFFAOYSA-N 444.358 6.957 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@@H](CC)C(=O)NC2CCCC2)cc1 224234173 LRMHOEZEDDGWNJ-SANMLTNESA-N 434.624 5.356 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc(OC)c1 224585165 MPNFBKODZWDOQC-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(C)c2)cc1 224607859 FGBMPTANUYTTGH-IBGZPJMESA-N 436.577 5.158 0 40 IKAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O 224653715 MOBVZPKPHOZHFP-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1F 224905383 MWWXBSOMWCNZEA-ZEQRLZLVSA-N 434.584 6.013 0 40 IKAB COc1cccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)c1 224952630 YPKFSFSRNMWBSV-UHFFFAOYSA-N 449.304 6.032 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224962153 SEIBUKMNSNLQNS-UHFFFAOYSA-N 432.863 5.686 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCCSCc2ccc(Cl)cc2)ccc1Cl 225302537 KOIBGZRYABBVJI-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(Cl)c(C)c1 225546831 FVTSPCZFBQAJOT-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB O=C(NCc1cccc2ccccc12)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 225906836 VNJSVLSQPGCZHH-FQEVSTJZSA-N 427.375 5.675 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)n1 257288888 PWBZBSORHFHRQV-FQEVSTJZSA-N 428.511 5.103 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2Cl)n(CC)c1-c1ccc(C)c(C)c1 408562734 RVHGKYSQVUENQO-LVWGJNHUSA-N 433.404 6.464 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1Cl 408657078 IJGVXBAONNTINO-IBGZPJMESA-N 447.962 5.933 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C)c(C)c3)c2C)cc1 408671002 RKVJDTDAADJPCS-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)C(=O)[C@H]2C1 408682711 LGNDWFRIJGFZPW-HIFRSBDPSA-N 429.303 5.091 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408695694 SEMKMRITLKLSCK-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)C1 408979152 PELSKDXKTTUVJT-XRHLQHRESA-N 439.563 5.661 0 40 IKAB Cc1ccccc1COc1ccc(/C=C2\N=C(c3ccc(C(C)(C)C)cc3)OC2=O)cc1 409027090 YATHJZZOFCLUKY-UQQQWYQISA-N 425.528 6.216 0 40 IKAB CCOC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409086923 HYHDDXKEOIDMGM-RNEAKCBISA-N 447.965 5.479 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(Cl)c2)C1=O 409167559 JDIKODMEBXSNQR-YRIIZNAFSA-N 444.940 5.192 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 409412376 VOMDGVGSDGFJBZ-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB CC[C@@H]1CCCCN1S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 606422420 ZLHCIFDYFRXRTH-LJQANCHMSA-N 430.957 5.615 0 40 IKAB COc1ccc2oc(C(=O)N3CCCCCCN(Cc4ccccc4)CCC3)c(C)c2c1 643561847 JKOMLVAMGUJPGE-UHFFFAOYSA-N 434.580 5.658 0 40 IKAB Cc1cnc(Nc2cccc(C3CCN(C(=O)C45CC6CC(CC(C6)C4)C5)CC3)n2)s1 2037836329 ZVZGADFAZAITCZ-UHFFFAOYSA-N 436.625 5.513 0 40 IKAB CCn1c(COc2ccc(Cl)c(C)c2)nnc1SCC(=O)Nc1ccc(C)cc1C 916075 YWMBUCOZMVYQKA-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccccc1F 1341787 OJNQDAYNQOHCLG-OAQYLSRUSA-N 426.513 5.317 0 40 IKAB O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 1393239 KAENOXHKNUCVHW-UHFFFAOYSA-N 444.336 5.420 0 40 IKAB CCn1c(SCC(=O)c2cccs2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 1413082 IEQZAXBTXVCABE-UHFFFAOYSA-N 436.602 5.335 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3cccc(Cl)c3)c2C(N)=O)C1 2082479 VXICAUNYBHPMGG-SHQCLWGWSA-N 431.001 5.693 0 40 IKAB Cc1ccc(-c2nc(C(=O)NC3CC(C)(C)NC(C)(C)C3)cc3c2[nH]c2ccccc23)cc1 2131556 VAPLTACBYNTHSB-UHFFFAOYSA-N 440.591 5.731 0 40 IKAB biogenic CC(C)(C)c1cc(SCC(=O)NCCc2c[nH]c3ccccc23)cc(C(C)(C)C)c1O 2240082 KKOCSACBZFYQCP-UHFFFAOYSA-N 438.637 5.920 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCc1ccc(Cl)c(Cl)c1 2444966 ORSZXZLBKSIHJP-UHFFFAOYSA-N 428.772 6.130 0 40 IKAB COc1cc(-c2cc(=O)c3cc(OCCCc4ccccc4)ccc3o2)cc(OC)c1OC 2888817 JIJFDAONUFTUSD-UHFFFAOYSA-N 446.499 5.497 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 3247711 VCHPDNGDXYYCBR-RMDTYCCRSA-N 437.536 5.109 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)OCC(=O)c3cccc(Cl)c3)cc2)cc1 3262579 QSKJZETZRAHPPI-UHFFFAOYSA-N 436.935 6.256 0 40 IKAB Cc1cc(I)ccc1NC(=O)/C(=C/c1ccco1)c1ccccc1 3314980 YYVQOJSMAYDPEQ-QGOAFFKASA-N 429.257 5.372 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C1CCCCC1 3438558 LOSVUWNWTWMQTG-UHFFFAOYSA-N 444.988 5.123 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1NC(=O)c1sc2ccccc2c1Cl 3655330 ABZMPRAUDSNQFG-UHFFFAOYSA-N 431.900 6.784 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3ccc(F)cc3)cc2c1 6177877 HQJNYOXGWNFVCH-UHFFFAOYSA-N 446.551 5.078 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@H]1c1cccs1 7948383 VLRPNJQIDISLQB-QHCPKHFHSA-N 427.639 5.386 0 40 IKAB O[C@]1(c2ccccc2)c2cccc(Cl)c2[C@@](O)(c2ccccc2)c2cccc(Cl)c21 8453497 OXZHORJEIJPDMT-CLJLJLNGSA-N 433.334 5.875 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 8612417 WZRQPFNRQBONKO-UHFFFAOYSA-N 447.512 5.567 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1Cl 8832099 OPGNIYIFOKPMHZ-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB Cc1cc(OCC(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)ccc1Cl 8832191 IPKFMXHMIWMEBW-UHFFFAOYSA-N 448.954 5.832 0 40 IKAB Cc1ccc([C@@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccc(Cl)cc5)c4c3N2)o1 8844868 QJLJZJFDMMUESO-NRFANRHFSA-N 435.936 6.250 0 40 IKAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc(-c2ccncc2)n1C1CC1 8882818 NDZGQENLJWLIJE-UHFFFAOYSA-N 437.528 5.335 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@@H]2CCCC[C@H]2C)c(C)n1C1CC1 8887726 IGQQOBMBDOMQHO-OPAMFIHVSA-N 449.624 5.820 0 40 IKAB Cc1ccc([C@@H](O)[P@](=O)(O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)c2ccc(N(C)C)cc2)cc1 9375496 YWKQZWIISXPLLT-LQYPTLTHSA-N 443.568 6.133 0 40 IKAB Cc1cccc2sc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)nc12 9439149 VLFKXBYMTXEYHJ-UHFFFAOYSA-N 427.938 5.824 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(OC(F)(F)F)cc2)oc2ccccc12)c1ccccc1 9518357 LZBMZLHUDHPIEE-UHFFFAOYSA-N 440.377 5.836 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(C(C)C)cc3)c3cc(Cl)ccc32)cc1 9553913 GABTVQWWHRMMLS-MHZLTWQESA-N 447.962 5.779 0 40 IKAB Cn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2cccs2)nc2ccccc21 9685418 GIIGGISCMUDLDF-KRWDZBQOSA-N 438.603 5.166 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccc(F)cc3)o2)c(C)n1CCc1cccs1 9782751 KFMSRTIISNVKOH-UHFFFAOYSA-N 441.553 5.573 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(CSc2ccc(Cl)cc2)cc1 9846998 DTROBPOZGTZCCZ-UHFFFAOYSA-N 436.791 6.869 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)c1 11614378 GWRQYFZMQZNDOR-QHCPKHFHSA-N 444.487 5.245 0 40 IKAB CCO[C@@H](c1ccccc1)c1sc2nc(C)cc(C)c2c1NC(=O)c1ccccc1OC 12411222 LRPOESZCGZJVOM-QHCPKHFHSA-N 446.572 6.300 0 40 IKAB Cc1nn(-c2ccc(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)cc2)c(=O)c2ccccc12 12444844 LXMITXNIJQWWSA-IBGZPJMESA-N 439.559 5.635 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1sc(-c2ccccc2)nc1C 12484530 LXTBRWGJZRTDHA-UHFFFAOYSA-N 448.375 5.526 0 40 IKAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)cc1 12676458 AIOLSXVPLKMBHN-HSZRJFAPSA-N 427.500 5.056 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)cc1 12796704 DYCCAAFJGZOAMW-GOSISDBHSA-N 434.492 5.131 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CN2C(=O)NC3(CCC(C(C)(C)CC)CC3)C2=O)cc1 12806901 PLBWCYGGIBKDMD-BACKLWQASA-N 427.589 5.056 0 40 IKAB Cc1nc(COc2ccc(C(=O)Nc3nc4c(ccc5ccccc54)s3)cc2)cs1 12940567 NXYQAQCQEFTWKA-UHFFFAOYSA-N 431.542 6.046 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2nc(-c3ccsc3)no2)n1C1CC1 13121069 MJQVHYLOQRFLGZ-UHFFFAOYSA-N 445.957 5.249 0 40 IKAB CSCC[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCc1ccc(C(C)(C)C)cc1 13129893 IZCYZPJDHSRTCB-HXUWFJFHSA-N 434.001 5.232 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2cccc(C)c2C)cc1OC 13597920 LMPLYNDREBLWCV-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13619152 LQJFIUWHNSEFRA-NJDAHSKKSA-N 439.298 5.045 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1C 13994325 NJFUIAOBBSJDIZ-BGYRXZFFSA-N 432.520 5.115 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1cccc(Br)c1 14553007 LUUFNWYNECTROB-UHFFFAOYSA-N 435.115 5.382 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1ccccc1 14604152 KLWIERYUSXMBKF-LJQANCHMSA-N 448.375 5.247 0 40 IKAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2cccc(Cl)c2)C1)Nc1cccc(Cl)c1 16398971 SDPJZNCQPMLYAT-IYBDPMFKSA-N 449.382 5.743 0 40 IKAB CCn1c(SCC(=O)N(C)c2ccccc2)nc2c(-c3ccc(C)cc3)csc2c1=O 16846200 HOPLYVYCBJFVBT-UHFFFAOYSA-N 449.601 5.208 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 17094569 LVMSBKBNXYHZMF-UHFFFAOYSA-N 425.598 5.085 0 40 IKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2C[C@@H](C)C[C@@H](C)C2)sc(C)c1C 18084572 LRFOMTBZDPFEEH-GASCZTMLSA-N 438.597 5.711 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@@H](C)c3ccccc3)cc2)on1 19123750 VXMFIFMCKKDJHT-IBGZPJMESA-N 440.547 5.650 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 19401698 UXUNIZPJHPCJDN-FQEVSTJZSA-N 440.526 5.196 0 40 IKAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2ccccc2)ccc1NS(=O)(=O)c1ccccc1 20041377 YCRDMOJPIUPPDG-DEOSSOPVSA-N 436.577 5.313 0 40 IKAB CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(Cc1ccccc1)C3 20080375 HJNCBDHDAKZBFK-UHFFFAOYSA-N 425.623 5.243 0 40 IKAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(-c2cccc(Cl)c2Cl)o1 21595804 FXMLFZXXMAVZIP-UHFFFAOYSA-N 426.712 5.429 0 40 IKAB CCc1ccc(OCc2ccc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 28527632 JJNOBKZDAMEZFX-UHFFFAOYSA-N 443.568 6.878 0 40 IKAB C[C@@H](O)c1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)cc1 28580573 RSRHYDYREIIZKG-CQSZACIVSA-N 429.442 5.076 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1cc(Cl)c(Cl)cc1Cl 32106999 QBSUNGSSMWJBPD-GORDUTHDSA-N 435.532 6.070 0 40 IKAB COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1 44900489 VAJCNCONDHDDIL-DEOSSOPVSA-N 425.550 5.553 0 40 IKAB Cc1ncc(CN(C)Cc2ccccc2)c2cc(C(=O)c3ccc(Br)cc3)oc12 95473566 LFTWUAZKQACJPJ-UHFFFAOYSA-N 449.348 5.762 0 40 IKAB C[C@@H]1[C@@H]2[C@](C)(CC[C@H]1C)[C@H](O)C[C@]1(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 95909729 RSBGODIKJNCIHA-FZFNGYGSSA-N 442.728 6.996 0 40 IKAB biogenic,in-vitro Cc1ccc([C@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)cc1 100738836 PIBVMDRIXJEHFY-ZCVJKFOLSA-N 428.580 5.349 0 40 IKAB COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)cc1Cl 108093742 KLSMWYGQNFBXRD-VXLYETTFSA-N 444.940 5.147 0 40 IKAB COc1ccc(-n2cccc2CN(C)C(=O)c2ccc3c(c2)nc(Cl)n3C(C)C)cc1 222560488 SVAQNFCMVPOHFL-UHFFFAOYSA-N 436.943 5.342 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 222647913 WKZDLNTVRGPJNG-XMMPIXPASA-N 426.576 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 223135051 IQWKWKHHABBRAI-WOJBJXKFSA-N 434.555 5.244 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 223253356 IFXWRCMCUSGGJF-XHCCPWGMSA-N 444.600 5.514 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223357928 LOWMNKVKUAWSMO-BJKOFHAPSA-N 444.560 5.037 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl 223364908 MGRQTPPWZXTVQL-DHIUTWEWSA-N 449.963 6.069 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc2c(c1)OCO2 224034071 VPAYFEZBXIIUIL-DNQXCXABSA-N 446.576 5.294 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NCC(C)C 224142601 DYXJZRKRVBTYAV-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1CSc1ccc(Cl)cc1 224680140 LYGHFQNYOGVHAY-UHFFFAOYSA-N 432.029 6.874 0 40 IKAB COC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2F)sc2c1CCCC2 224989700 RRKPUVJIZNESGY-UHFFFAOYSA-N 427.950 5.078 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225096502 GBXVIZOCZDFMSG-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)c(C)c1 225269628 ZENOVSCFJXGLIB-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2nnc(-c3ccc(C)cc3)s2)c2ccccc2)cc1 225581637 DATZKPQBNMQUQW-CJLVFECKSA-N 427.529 5.701 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 225602036 LILDXWAZSFBVAF-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccccc3Sc3ccccc3)n2)cc1 225836691 KYDLUVOWLPCLLG-UHFFFAOYSA-N 443.572 6.583 0 40 IKAB COc1ccc2cc(S(=O)(=O)Nc3ccc(CSc4ccccc4)cc3)ccc2c1 225863980 DHWHIFGPZPVHPP-UHFFFAOYSA-N 435.570 5.942 0 40 IKAB CCCc1ccc(OCCCc2nc(CCC)c(-c3ccccc3F)cc2C(=O)O)cc1 257200720 AEQKMWAQKNJZAX-UHFFFAOYSA-N 435.539 6.503 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408572224 FSFCZXMFTGZLCT-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB Fc1ccc(CSc2nc(-c3ccc(Br)cc3)cc(C(F)(F)F)n2)cc1 408583686 WNCQBXANBJLPQQ-UHFFFAOYSA-N 443.263 6.356 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2F)cc1 408626063 KXJRUWUNDHEOSF-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2)cc1C(=O)Nc1cccc(C(F)(F)F)c1 408626747 WKNRTKAYQCUFOP-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1C 408639687 GWOPINJBYOFDPV-IBGZPJMESA-N 448.950 6.049 0 40 IKAB COc1cc([C@H]2C=C(c3ccc(Cl)cc3)N=C3N=CNN32)ccc1OCc1ccccc1 408919207 UVIGTIUFJJVTNL-JOCHJYFZSA-N 444.922 5.228 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409167397 JNFNPJYFCOFDFA-LNLJWIGCSA-N 446.953 7.028 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2C)c(C)c1 409412610 YNSVACXBUAYAMA-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB COC(=O)c1sc(-c2ccc(C)cc2)c2c1NC(=O)C2(c1ccccc1)c1ccccc1 521398879 WAJOKRLJFQXVEL-UHFFFAOYSA-N 439.536 5.797 0 40 IKAB Cc1[nH]c(-c2ccc(-c3ccccc3C(F)(F)F)o2)nc1-c1ccc(Br)cc1 1534837543 UFOJMALNPJDKGA-UHFFFAOYSA-N 447.254 7.093 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccc(Cc2ccc(Cl)cc2)n1 1848355152 UEUVHVDZDGUCRX-RUZDIDTESA-N 429.951 5.713 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccc(C)cc3-c3cc(C)nn32)cc1 627845 MTRFGLGQFXAQRS-MUUNZHRXSA-N 447.542 6.001 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCCC1 867007 PBXZJTCEKAJLNC-GJZGRUSLSA-N 444.860 5.352 0 40 IKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4nc5ccccc5s4)n3c2c1C 903201 DPDVTFCIUUIUGP-UHFFFAOYSA-N 433.562 5.148 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2Cc2ccccc2)cc1C 1223755 ATRRLYIXIGVICH-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353133 ZOBJCCUTASVPJE-UHFFFAOYSA-N 433.533 5.141 0 40 IKAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C 1378343 YQSHFJQXMAIKNT-IBGZPJMESA-N 439.943 5.011 0 40 IKAB COc1ccc(C2=C(Cl)C(=O)N(c3cccc(Cl)c3)C(=O)C2(Cl)Cl)cc1 1584260 PDCRFAPZQHAXAD-UHFFFAOYSA-N 431.102 5.046 0 40 IKAB Cc1ccc(NC(=O)c2c(-c3c(Cl)cccc3Cl)noc2C)c(Br)c1 2084033 SJQGQPPCOMZJQB-UHFFFAOYSA-N 440.124 6.280 0 40 IKAB CCc1cccc(N2COc3c(cc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C)C2)c1 2118291 JCCQIHYANKYXJN-UHFFFAOYSA-N 427.500 5.696 0 40 IKAB biogenic COc1ccc(-c2noc(COc3ccc4ccccc4c3Br)n2)cc1OC 2204076 ZVCUZQFIYYBURH-UHFFFAOYSA-N 441.281 5.249 0 40 IKAB CCC(CC)C(=O)N1c2ccccc2[C@@H](N(C(=O)C(CC)CC)c2ccccc2)C[C@@H]1C 2313879 DWSBHSMKMDMHMO-FNZWTVRRSA-N 434.624 6.759 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1c(N)n(C2CCCCC2)c2nc3ccccc3nc12 2440326 UNQVLUKGCSZERY-GOSISDBHSA-N 441.579 5.423 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)c1C 2440950 MTRJYPGXHULEDP-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccc(C)cc2)cc1 2623385 DKHHBYSFJPCHGL-DEOSSOPVSA-N 446.551 5.055 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 2725907 NUVAKAHUAKSROJ-JOCHJYFZSA-N 432.951 5.422 0 40 IKAB CCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@H](C)C2 2737439 QLMGNGJHQVFEHU-KRWDZBQOSA-N 433.573 5.820 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1ncnc2ccccc12)c1ccccc1 3294949 XAOBNIVASVUCLT-HXUWFJFHSA-N 439.462 6.121 0 40 IKAB Cc1ccc(-c2csc(=S)n2CC(=O)NC(c2ccccc2)c2ccccc2)cc1 3331427 BOBLQZDEBYNTCG-UHFFFAOYSA-N 430.598 6.160 0 40 IKAB Cc1sc2nc(SCCN(C)C)n(-c3ccccc3)c(=O)c2c1-c1ccc(F)cc1 3343977 WIQVPSDSSXAQHC-UHFFFAOYSA-N 439.581 5.215 0 40 IKAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 3373057 QDQJEUWQOPNPMD-CQSZACIVSA-N 444.557 5.106 0 40 IKAB c1ccc(OCCSCCCCCCCCCCSCCOc2ccccc2)cc1 5811737 CXNICWKWNSZIDO-UHFFFAOYSA-N 446.722 7.732 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 6135480 FACVJPMQXXFQGP-UHFFFAOYSA-N 447.648 6.239 0 40 IKAB CN(Cc1ccccc1)C(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 6878755 MKNSDWNITYHCRX-UHFFFAOYSA-N 443.494 5.012 0 40 IKAB Cc1cccc2c(=O)cc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)[nH]c12 8617328 SKODVASQSLJKKM-UHFFFAOYSA-N 434.948 6.035 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)NCc3ccc(-c4csc(C)n4)s3)c2C)cc1 8862227 OULWYVTZTJQERB-UHFFFAOYSA-N 436.606 5.280 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(CCCOC(C)C)c1C 9060420 NFGFWIZTBOCNEE-UHFFFAOYSA-N 448.542 5.855 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 9159814 VNFHOPWPXIYAFS-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB COc1ccc([C@@H]2[C@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 9185322 KYVWHOUGNSMFTK-RTVRTQBESA-N 444.575 5.155 0 40 IKAB O=C1S/C(=C/c2ccc(OCCOc3ccccc3)cc2)C(=O)N1Cc1ccccc1F 9233446 HETSBCCEVSJYTB-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB CN(C)C(=O)Oc1cc(OCc2ccc(F)cc2)c2c(=O)cc(-c3ccccc3)oc2c1 9341512 ZSMGEMOTHIXFPL-UHFFFAOYSA-N 433.435 5.239 0 40 IKAB biogenic COc1cc(Br)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 9345166 XPRZKCCNDBMIRK-SFHVURJKSA-N 447.760 5.925 0 40 IKAB Cc1cccc(C)c1Nc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1 9373638 HDVONSOQKIIKRF-UHFFFAOYSA-N 440.381 5.331 0 40 IKAB CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(C(C)C)cc1 9409135 VRPKPEVLKRSJTJ-RUZDIDTESA-N 433.552 5.266 0 40 IKAB Cc1ccc(CNc2nc(Nc3cc(C)cc(C)c3)c3cnn(-c4ccccc4)c3n2)cc1 9573551 BUYKAWDZQKJDPF-UHFFFAOYSA-N 434.547 6.096 0 40 IKAB CCCN(C(=O)c1ccccc1OCC)c1nc(-c2ccc(Br)cc2)cs1 9606401 YVYZZEIQFIUOKS-UHFFFAOYSA-N 445.382 6.028 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2Cc2nnc(-c3c(-c4ccccc4)noc3C)o2)c1 9723749 CQGYEQYDOLLVSG-HXUWFJFHSA-N 446.507 5.054 0 40 IKAB Cc1cc(C(F)(F)F)n2nc(-c3cccc(Br)c3)c(-c3ccccc3)c2n1 9763414 HHEFYNRZGZASIT-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1nnc2ccccn12)c1ccccc1 10028525 ZCVFSTGFEMWXLH-GOSISDBHSA-N 429.332 5.508 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12195802 LDMWKTXETIJEGU-JTHBVZDNSA-N 426.850 5.869 0 40 IKAB COc1ccc(NC(C)=O)cc1-n1c(Cc2cccc3ccccc23)nc2ccccc2c1=O 12794349 RTWAQYYJGMXGRV-UHFFFAOYSA-N 449.510 5.097 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCc1cc(Cl)c2c(c1)OCCCO2 12976136 KZLJLLRGNWROGF-NSHDSACASA-N 431.699 5.319 0 40 IKAB COc1ccc(Cn2c([C@H](C)c3ccc(CC(C)C)cc3)nc3ccccc32)cc1OC 13030859 VBDKOJYNKBIGLX-HXUWFJFHSA-N 428.576 6.452 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)Oc1ccc2oc3ccccc3c2c1 13114560 HRXVWKLPTPTRAB-UHFFFAOYSA-N 449.528 5.288 0 40 IKAB O=C(c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21)N1CCCCC1 13717255 KWQORXDQRUVNNH-UHFFFAOYSA-N 429.545 6.148 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)CCc4cc(Cl)no4)ccc3c2C)cc1 13726964 LVNMJRGSELIIPR-UHFFFAOYSA-N 438.867 5.194 0 40 IKAB biogenic COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)c1 13787257 XDIYZRSPOZLWSK-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1 14270606 LVRUPACTFDRBMT-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)COc1ccc(C2CCCCC2)cc1 14272688 XATGSXDSEONCDG-UHFFFAOYSA-N 440.547 5.794 0 40 IKAB C[C@H]1c2cc3c(cc2C2(CCCC2)CN1C(=O)c1cnc(Cl)c(Cl)c1)OCCO3 14903776 ZKVUKFBKPDPBEW-ZDUSSCGKSA-N 433.335 5.188 0 40 IKAB S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCCCC1 15224644 LQFQKGJOODSWQS-UHFFFAOYSA-N 436.631 6.270 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 16269305 BXCUNTKDOOJROC-UHFFFAOYSA-N 436.515 5.516 0 40 IKAB Fc1ccccc1COc1ccc(Br)cc1CNCc1ccccc1Cl 16449719 XTIOFNXKGTXWAY-UHFFFAOYSA-N 434.736 6.110 0 40 IKAB O=C1SC[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 16712009 XASMYCNNQLLLHV-DHLKQENFSA-N 427.529 5.253 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 16776851 QEDGTXKZELZINV-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C)cc1 16789079 AHRWRSQZIXEENF-QGZVFWFLSA-N 436.625 6.024 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)cc1 17098582 GESATPJGKZMFQC-UHFFFAOYSA-N 433.577 5.239 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(C)c(Cl)c3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17099462 OEDPHCFCXLHSNK-UHFFFAOYSA-N 435.398 8.055 0 40 IKAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521203 YBZTZXMVTFZQIT-INIZCTEOSA-N 435.553 5.018 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@H](c2ccccc2C)n2c(nc3ccccc32)N1 20797490 WFZXFACMJLWOCJ-QHCPKHFHSA-N 428.923 5.926 0 40 IKAB O[C@@H](CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 20876507 UTCIBSBILDZYNI-NRFANRHFSA-N 446.772 5.505 0 40 IKAB Cc1ccc(NC(=O)Nc2cccc(OCc3cc(=O)n4ccc(C)cc4n3)c2)c(Cl)c1 21100204 MVQVZSMKMKUGCR-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@H](C)CCCC(C)C)n1Cc1ccccc1 24988504 VLOQMTBFGQUEBU-GOSISDBHSA-N 440.613 5.318 0 40 IKAB CC(C)Oc1ccc(NC(=O)Cc2csc(COc3ccc(C(C)(C)C)cc3)n2)cc1 27912862 PPYVMLKFBISODK-UHFFFAOYSA-N 438.593 5.988 0 40 IKAB CC[C@@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccc(F)cc1)c1ccccc1 28047896 PBLSIJJOZGSUSR-HYBUGGRVSA-N 436.914 5.543 0 40 IKAB O=C(Nc1ccc2ccccc2c1)[C@@H](c1csc2ccc(Cl)cc12)P(=O)(O)O 28604311 HUJXISJLAPAFBO-LJQANCHMSA-N 431.837 5.565 0 40 IKAB in-vitro Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 32983633 DTMPDTDGNRGUTG-INIZCTEOSA-N 436.968 5.464 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 33795395 FUZIJCIRXZLENC-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB COc1cccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 35400762 KVYIAXRQGVAVCK-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)s2)o1)Nc1ccc(OC(F)(F)F)cc1 35586249 CHBBTOYQLCUFAQ-UHFFFAOYSA-N 435.836 5.081 0 40 IKAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2c(-c3cccc(Cl)c3)cnn12 38829652 XFCMZYCEVIAWSH-UHFFFAOYSA-N 430.817 5.629 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3OCC(=O)Nc3cccc(C)c3C)n2)cc1 46012243 MZAAZOWRUMIZRB-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB O=C1N[C@H](c2ccc(OCc3ccccc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 59459477 SROLSRBTMQKHMU-OAQYLSRUSA-N 445.569 5.701 0 40 IKAB Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)c4ccc(F)cc4)sc3c2)c1 59489724 CTFNCVKPUHESMP-UHFFFAOYSA-N 436.533 5.971 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(NC(=O)c3cccs3)cc2)nc2ccccc21 60323052 VKHIETDNUDUQFE-UHFFFAOYSA-N 436.562 5.101 0 40 IKAB COc1c(O)c(CC=C(C)C)cc2c1Oc1cc(O)c(CC=C(C)C)c(O)c1C(=O)O2 64416900 CZKGIKZOHGKQSQ-UHFFFAOYSA-N 426.465 5.154 0 40 IKAB biogenic CCCCc1ccc(NC(=O)c2cnc3scc(-c4cccc(OC)c4)n3c2=O)cc1 64787961 GBYPQELUEXOMFI-UHFFFAOYSA-N 433.533 5.027 0 40 IKAB CCOc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 64949858 UTMOHAZECKRXMY-UHFFFAOYSA-N 444.878 5.155 0 40 IKAB COc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)c(OC)c1 67245233 QQYXFAMGUOFUPH-UHFFFAOYSA-N 439.471 5.033 0 40 IKAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccc(Cl)cc3)c(=O)c12 67260399 FKCCRCWLEQUJQG-UHFFFAOYSA-N 440.937 5.247 0 40 IKAB COc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3C)nc2c1 72260284 TVOLJERRVJQHMR-UHFFFAOYSA-N 444.531 6.127 0 40 IKAB COc1cccc(Cc2cccc([C@H]3CCCN(Cc4ccc(NC(C)=O)cc4)C3)n2)c1 72349945 FHUZNYPWEJFYRB-QHCPKHFHSA-N 429.564 5.019 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cc1 72354142 VIRGMRFZXMQWQM-XMMPIXPASA-N 432.539 5.286 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 72376800 ORYZZPHTOLIQHQ-IBGZPJMESA-N 426.442 5.112 0 40 IKAB CCO[P@](=O)(NC(C)C)SCc1nc(COc2cc(C)c(Cl)c(C)c2)no1 100021783 BBOLREWYGLFGJI-AREMUKBSSA-N 433.898 5.295 0 40 IKAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 101003534 CJAFSGJMWMUDMF-QMWXCIFZSA-N 439.461 5.388 0 40 IKAB Cc1ncsc1C(=O)N1N=C2/C(=C/c3cccs3)C[C@H](C)C[C@H]2[C@@H]1c1cccs1 105264944 VEDPLASXZAZMKR-VDYPXXKXSA-N 439.631 6.257 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)cc(Br)c1OCc1ccccc1 107818230 SVOVHEMAQHXGQZ-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C1=O 205780623 MHDQBEKHPBYGNS-LZYBPNLTSA-N 440.304 5.241 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 222954411 NYWCWWOBWVHSFB-XMMPIXPASA-N 430.548 5.072 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc4c(c3)CCC4)ccc2C)cc1 223182125 XDSQXJUZYMMFSU-LJQANCHMSA-N 448.588 5.084 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 223310399 JQTWXPLEGSDQBG-AREMUKBSSA-N 444.619 5.803 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 223421748 QNOHJLYLBFXDSW-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 223526457 IRWUVXJHPDMHBL-LJQANCHMSA-N 427.566 5.088 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 224059565 YOMYLFUQIVBJGC-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1cccc(Cl)c1 224240410 GCJWETZWXVESKJ-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 224358535 FHVYIOIYHVXKAB-XMMPIXPASA-N 441.015 5.366 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224407801 YGRWEZWEJISUSA-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1COCc1ccccc1 224461180 KOAVKJNFAIUYKN-UHFFFAOYSA-N 444.300 5.566 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 224478320 CMOXECWQVXFZMV-IBGZPJMESA-N 439.408 5.029 0 40 IKAB O=C(NCc1ccccc1)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224940005 VAZQRFGQPQNRJL-UHFFFAOYSA-N 433.305 5.701 0 40 IKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)c1ccccc1 224949532 JRJZEFDKXICOBX-MRXNPFEDSA-N 447.332 6.262 0 40 IKAB Cc1cccc(CSc2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)s2)c1 224993417 HLJHUXGXFNYJOF-UHFFFAOYSA-N 433.986 5.588 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2nc3ccccc3s2)N1C1CCCC1 225008660 MQHGUUQMXCNBOK-VXKWHMMOSA-N 445.617 5.397 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCCNc1ccccc1 225040378 NPTREJUPISHHCR-JWQCQUIFSA-N 445.636 5.473 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225044478 YYLFFQHHIVDVQG-LOSJGSFVSA-N 433.592 6.066 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)N[C@@H]1CC2(CCCCC2)Oc2ccccc21 225625840 UZUBODRGOWKJIW-HXUWFJFHSA-N 433.976 6.055 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225662293 TWWJIGIHUMGGJX-NTKDMRAZSA-N 426.576 5.043 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)N1c1ccc(Cl)cc1 408556638 KWBPIIRWLOMCDU-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB COc1cc(C(=S)NCc2cccc(C)c2)cc(Cl)c1OCc1ccccc1Cl 408571253 ARVZJXZFFDIMFV-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3cc(Cl)ccc3OC)o2)C(=O)O)o1 408633290 MITITGHEHXPIKX-WJDWOHSUSA-N 449.916 5.056 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 408679373 WFSOUWVINDGVCY-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc(C)c1Cl 408706053 UESNRRYQFPEKGC-GOSISDBHSA-N 425.981 6.655 0 40 IKAB Cc1cccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)s2)c1 408831978 QMRWQIYSZNBNRP-UHFFFAOYSA-N 446.575 7.705 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccc(Cl)c(Cl)c3)c12 409129937 VLKUNHKLCPJFOX-NVMNQCDNSA-N 431.344 5.883 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1Nc1ccccc1 409175722 BBTIKTHLRQXPKW-SANMLTNESA-N 441.914 6.865 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409351013 WUDHQLWYYUMTAW-RSZPVBOMSA-N 438.549 5.156 0 40 IKAB Cc1nc(-c2ccccc2F)sc1C(=O)Nc1ccccc1-c1cn2c(n1)CCCC2 575620138 OECPNGDIIMXUGF-UHFFFAOYSA-N 432.524 5.710 0 40 IKAB O=C(Nc1nc([C@H]2CCCN2Cc2ccc(Cl)nc2)cs1)c1cccc(Cl)c1 585293843 AWXFDIBWRWYXDU-QGZVFWFLSA-N 433.364 5.434 0 40 IKAB CC(C)CN1C(=O)N(c2ccc(F)c(Cl)c2)[C@@H]2[C@H](c3ccc(F)cc3)CCCC[C@@H]21 2037843791 JQFZREVZFDYUBA-AJSBUHFISA-N 432.942 6.611 0 40 IKAB CC(C)(C)c1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H](C(=O)O)[C@@H](Cc3cccc(Cl)c3)O[C@@H]21 2037853957 OUIPCYVYCMLFDE-GNXKAVGDSA-N 442.983 6.198 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 661141 HHMAWXUGYHGYRC-UHFFFAOYSA-N 439.338 5.264 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccccc2Br)o1 868875 MQDIDVFWYRSCFX-UHFFFAOYSA-N 446.370 5.355 0 40 IKAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c(C)cccc23)cc1 991113 DXCVNOJNGVXWEJ-UHFFFAOYSA-N 426.472 5.258 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2O)cc1 1223765 LSLWQMPVTWGYCC-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB COC(=O)N1CC[C@H](Sc2ccccc2)[C@@]2(CCSc3ccccc3)CCC=C12 1623119 QUCPPNXNVVBRLL-LADGPHEKSA-N 425.619 6.466 0 40 IKAB FC(F)Oc1ccc(NC(=S)c2sc(N3CCCC3)nc2-c2cccs2)cc1 2638277 HGENMVPDSRSBPP-UHFFFAOYSA-N 437.562 5.861 0 40 IKAB O=c1c2c(nc(SCc3ccccc3F)n1-c1ccc(Br)cc1)CCS2 2720052 CQUGACXGKSZPMG-UHFFFAOYSA-N 449.370 5.075 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(-c3cccc(F)c3)n2)cc1OC 2733306 SXFJRECREJCNAP-UHFFFAOYSA-N 434.467 5.380 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccc(Cl)cc2)cs1 3049240 STDSGTGMYFSQAX-UHFFFAOYSA-N 439.787 5.957 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(F)c(F)c3F)c3ccccc3n2)cc1OC 3223214 VWWCRDIODUTZRG-UHFFFAOYSA-N 438.405 5.589 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)cc1C 3242147 JLVJVRAOFKLQCI-UHFFFAOYSA-N 425.535 5.194 0 40 IKAB COc1cc2c(cc1NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1)oc1ccccc12 3322446 NTDQHYDPOCCSDD-UHFFFAOYSA-N 444.270 5.697 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)cc2c1 4230977 VXWDCAKNPOIGJV-UHFFFAOYSA-N 430.592 5.973 0 40 IKAB CCCCOc1ccc(CNC(=O)c2sc3nc4cc(OC)ccc4cc3c2N)cc1 6077992 WBZDURNXRBDPIQ-UHFFFAOYSA-N 435.549 5.149 0 40 IKAB Cc1ccc(CNC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1 8442724 LFNLNUJLVKIPNL-UHFFFAOYSA-N 435.471 5.253 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)n2)cc1 8832067 CWMOANNYJPMWPO-UHFFFAOYSA-N 445.327 6.638 0 40 IKAB Cc1ccccc1-c1noc(CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)n1 9184976 AYMVVBGCUQQJTD-UHFFFAOYSA-N 443.507 5.724 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)cc1 9307253 KONVMUFTBBDIOH-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CCCn1c(SCc2cc(=O)oc3cc(C)c(Cl)cc23)nnc1-c1ccncc1 9315405 KJAWYCZTUIVDRS-UHFFFAOYSA-N 426.929 5.111 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccccc1 9354598 YSKZQXYELGYXCL-UHFFFAOYSA-N 428.513 5.906 0 40 IKAB O=C(CSc1nnc2c(Cl)cc(C(F)(F)F)cn12)Nc1ccc2ccccc2c1 9508064 UDOYSLXXFBNZBK-UHFFFAOYSA-N 436.846 5.286 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccccc3SC)nc12 9708691 QPSFDGZBERYKOU-UHFFFAOYSA-N 435.574 5.577 0 40 IKAB Brc1ccccc1-c1nnc(SC[C@@H]2CCCO2)n1Cc1ccccc1 9729252 AAJLTRYHKUXRHF-INIZCTEOSA-N 430.371 5.027 0 40 IKAB CC(=O)NCCc1ccc(-c2csc(NC(=O)c3sc4ccccc4c3C)n2)cc1 11503659 SWPYFHGKXPEGMY-UHFFFAOYSA-N 435.574 5.264 0 40 IKAB Cc1ccc(C)c(-n2cc(-c3ccc(Cl)cc3)nc2SCC(=O)NC2CCCC2)c1 12584992 QUCXYSHNJRVAHC-UHFFFAOYSA-N 440.012 5.960 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 12847364 NKXCLSBUDOGTOG-ZFWWWQNUSA-N 445.228 5.696 0 40 IKAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 13039252 AVPSPJJCBUHCHH-IGKIAQTJSA-N 442.559 5.743 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 13134885 SXMHPEPRKDCJSQ-UHFFFAOYSA-N 446.959 6.497 0 40 IKAB CC[C@H]1c2cc(Oc3c(O)c(OC)cc4c3[C@H](CC)N(C)CC4)c(OC)cc2CCN1C 13407299 BOXBKGGQZPGMRE-PMACEKPBSA-N 440.584 5.080 0 40 IKAB biogenic COc1ccc(-c2csc(NC(=O)c3sc(-c4cccc(Cl)c4)nc3C)n2)cc1 14076857 JNNLUTZSQNVASS-UHFFFAOYSA-N 441.965 6.156 0 40 IKAB COc1c(C(=O)Nc2cccc(NC(=O)C(C)C)c2)cc2ccccc2c1Br 14273104 MTNYIZPAWIZAGQ-UHFFFAOYSA-N 441.325 5.458 0 40 IKAB COc1ccc(/C=C2/N=C(c3ccccc3)N(c3ccc(Br)cc3)C2=O)cc1 15223550 UWYNSVNJEYSOTD-RCCKNPSSSA-N 433.305 5.292 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](c2ccccc2)N2CCN(c3ccccc3Cl)CC2)c1 16480878 CMEMWFJKHGXIQC-VWLOTQADSA-N 447.966 5.045 0 40 IKAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccc(-c2ccc(Br)cc2)o1 16526269 IEORRWJINBREJA-STZFKDTASA-N 444.284 6.207 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccs4)c3)nc2c1 16611267 OTGDNAOMXWLUHB-AWEZNQCLSA-N 435.574 6.197 0 40 IKAB O=C(NC(=S)Nc1cccc(C(F)(F)F)c1)c1ccc(OCc2ccccc2)cc1 17096829 QOHVRWFPDFVUHW-UHFFFAOYSA-N 430.451 5.411 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Br)o1 17103058 OLGYLXJZHGIYMP-UHFFFAOYSA-N 439.313 5.460 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCCC4)c(Cl)c3)o2)cc1Cl 19633394 WVTPXJCHICANHE-DHZHZOJOSA-N 441.358 6.814 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)c2C(=O)OC(C)C)c1 19634517 GVDWGHRVQWBIEB-IAGOWNOFSA-N 441.549 5.203 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 19637323 MLUKDKXFEXYJQR-JXMROGBWSA-N 442.924 5.149 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2F)ncc1C(=O)N(C)C 19765625 JCNDAXSUNDQTOT-DEOSSOPVSA-N 432.543 5.020 0 40 IKAB Cc1cc2nc(-c3cccc(I)c3)oc2c(Br)c1C 20156789 GWYFIJVZWNHVET-UHFFFAOYSA-N 428.067 5.479 0 40 IKAB Cc1cc(C)c2c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)cc(=O)oc2c1 20502948 RPUPLJNHQGTIHH-UHFFFAOYSA-N 438.571 5.317 0 40 IKAB biogenic CCCOc1ccc([C@H]2C(C(=O)OCC)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672299 JEBWBEUNIQWFOW-QHCPKHFHSA-N 435.524 5.076 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(Br)cc1 22072618 WLSIGMDVCZWFTI-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1 22535348 PVDBDFNKVHUYDB-JOCHJYFZSA-N 436.577 5.294 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cc(Cl)c2c(c1)OCCCO2 24028892 NZPGHMJYSONWGZ-UHFFFAOYSA-N 428.897 5.067 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 25052897 BXHYJWUWQCAHMD-ZWKOTPCHSA-N 430.495 6.024 0 40 IKAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1cc(C(F)(F)F)ccc1Cl 28284389 PMKSXHGFEIPNHK-UHFFFAOYSA-N 436.655 5.756 0 40 IKAB Cc1cc(OCC(=O)NC[C@H](c2ccc(C(C)(C)C)cc2)N2CCCC2)ccc1Cl 28288693 PQXNMIFFVPMSKA-HSZRJFAPSA-N 429.004 5.278 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29479299 DPTKYFCXXCQZBD-QGZVFWFLSA-N 426.563 5.319 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)/C=C/c1cccnc1 30928724 LXUYYTYVTSDWGB-NTEUORMPSA-N 428.923 5.260 0 40 IKAB COc1ccc(-c2nc(CSCCC(=O)NCc3ccccc3Cl)cs2)cc1 31414243 MAWHHLJATCTTJB-UHFFFAOYSA-N 432.998 5.412 0 40 IKAB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 34719569 RADZJAXNXHPDON-UJKMTWAASA-N 438.310 5.540 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 62715917 OJIOICMZQMWGQH-CMDGGOBGSA-N 425.706 5.266 0 40 IKAB O=c1c2ccccc2nc(SCc2cc(F)cc(F)c2)n1Cc1ccc(Cl)cc1 67259582 MDQUPOJVQKPOCG-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB COc1ccc(Nc2nc(NCc3ccccc3Cl)c3ccccc3n2)cc1Cl 72260540 AMYHZILYJIKUSP-UHFFFAOYSA-N 425.319 6.301 0 40 IKAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1Oc1cccc(Br)c1 84363765 RHXIOUPFWSUEBZ-OCCSQVGLSA-N 443.263 5.487 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1C(=O)O 95951758 XYJFWERQHSAMNY-UHFFFAOYSA-N 429.460 5.119 0 40 IKAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@@H](c3ccccc3Cl)C2)c(OC)c1 97165264 UIKQZMJNZJHFRM-LJQANCHMSA-N 426.925 5.410 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H]1C(c3ccccc3Cl)=NO[C@H]1C)oc1ccccc12 100281905 ISEJCPCYDHLLGM-XMHCIUCPSA-N 434.879 5.626 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(OC)cc4)C3=C(O)C2)cc1 100429368 YQRBNQVNMVZFGP-UZTOHYMASA-N 426.516 6.333 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 102714862 MCAJYCWBANOJCU-GMKZXUHWSA-N 446.934 5.316 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(O)=C2[C@H]1c1ccccc1 104171818 TWLBOFDAPGQBON-XHCCPWGMSA-N 426.491 6.396 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 106683047 SHTDCOIIUYDETA-GQFJFNLSSA-N 431.941 5.762 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 106972229 VJNYMSJKPHGGTP-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB C[C@H](O[C@H]1OCCN(Cc2ccccc2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 164711346 KVPJNHLVRGUYGQ-ORAYPTAESA-N 447.375 5.187 0 40 IKAB C[C@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1csc2ccccc12 167959594 HEPUTOBOAZNPHV-MRXNPFEDSA-N 443.524 6.130 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)c1ccccc1OCc1ccccc1 218988713 URRNRACIDLEIDF-UHFFFAOYSA-N 433.895 5.241 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222983570 MLGPINVKNPMTJX-NHCUHLMSSA-N 446.403 6.421 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223108124 OSRHRDGJYUGKBE-CYBMUJFWSA-N 439.353 5.258 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1 223273913 ZBBWTFWMFSFJDH-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223596860 LOBMAQZAMGVZLP-QHCPKHFHSA-N 426.626 5.034 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 223743624 XEERLFATIXEYQY-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cccc(C)c2C)cc1 223770306 PEHYDMMXMGTVRE-UHFFFAOYSA-N 444.641 5.138 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1C 224257615 KHIOKXBBEGKPAI-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 224269769 MHIPRYHQFWIHPK-QFIPXVFZSA-N 447.044 5.134 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C1CC1 224360930 CQMLOLCXICVOJD-DQEYMECFSA-N 430.621 6.135 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1Cl 224479373 ANJMBSHIBNLZLJ-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1C(C)(C)C 224512973 FEMUHNZGFJHIDR-UHFFFAOYSA-N 446.547 5.313 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)ccc1OCC 224733158 ABWIOTAUKGYRGX-UHFFFAOYSA-N 441.549 5.656 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Cl)ccc1OCc1ccccc1 224792502 UYOJKHNIFRRPRA-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 224809560 MTVYNGXNBUPXHK-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 224940423 OJDGFNZHADOMPK-INIZCTEOSA-N 447.332 6.262 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1Cl 224964537 IJQYQTGXBDJURZ-LEWJYISDSA-N 426.973 5.303 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225195201 SGZYFWXXZVVPCA-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225302675 SRQDZZKFFVOEFE-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225306681 MPANMCLDJAHJJQ-DLBZAZTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225520961 ARRKCADNIQICDL-WMZHIEFXSA-N 429.004 5.303 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225555457 IAGBTRWBNIERHU-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225555595 ZOEUYZGYIGLWPW-JTSKRJEESA-N 449.422 5.566 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 225556005 LNXTVKQZEZQRBR-LJQANCHMSA-N 447.044 5.132 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225608286 PZHBQOQUXFUAEK-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB O=C(c1ccc(NC(=S)NCCCSCc2ccccc2F)cc1)N1CCCCC1 225613511 LNBXUJPXMHSYTE-UHFFFAOYSA-N 445.629 5.062 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 225632727 YDDJYTIABLVMEJ-KNQAVFIVSA-N 445.003 5.058 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(Br)c(C)c2)c2ccccc2)c1 225699032 FCNQBLSDXQPPCG-NRFANRHFSA-N 425.395 6.142 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccccc1 225778363 DZSMBSYMUMVAHT-HHHXNRCGSA-N 441.958 6.747 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3cccc(OCc4ccccc4Cl)c3)CC2)c1C 225778920 YLCFBLQYURKXAA-UHFFFAOYSA-N 434.967 5.498 0 40 IKAB CCOC(=O)C1=C(C)N2C(=N[C@@H]3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)S1 255961038 ICBJIYNFSJGZBD-ZNHWDAPSSA-N 444.600 6.193 0 40 IKAB Cc1c(Cl)cccc1NCC(=O)N1CCC(c2ccnc(Nc3ccccn3)c2)CC1 257277399 NXUMNYMNDPIBBN-UHFFFAOYSA-N 435.959 5.000 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@H](O)CC[C@]4(C)C3=CC[C@]12C 257752789 ZCBDFGFNCFLBOL-RXRVSTAYSA-N 426.729 8.335 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)n1 408698430 NUOOXWRHHQBPNF-UHFFFAOYSA-N 445.256 5.772 0 40 IKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1c(Cl)cccc1Cl 409027997 XOJHFXWPVTVIJI-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)cc1 409103180 XHHXOZKULGRDIQ-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)c2ccccc21 409113210 HBZWGDKSSBEDSE-KQWNVCNZSA-N 431.507 6.101 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccccc3Cl)cc2)C(=O)N1CC1CCCCC1 409136171 TZNIWMSVRNDTDU-HYARGMPZSA-N 441.980 6.536 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cccc(C)c3C)C2=O)cc1 409358001 SNTGFJHOOJXILC-STZFKDTASA-N 438.549 5.157 0 40 IKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)C(c2ccccc2)c2ccccc2)cc1 585091724 FDAZVSUZGXBLNT-UHFFFAOYSA-N 435.523 5.746 0 40 IKAB Cc1ccc2c(c1C)OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265897 VRCYLBJADRZLOO-KELBGUDLSA-N 438.564 5.824 0 40 IKAB O=C1NCCCOc2ccccc2CCCCCC12CCN(Cc1cccc(F)c1)CC2 643566630 VQWMHDKOQHFVRJ-UHFFFAOYSA-N 438.587 5.110 0 40 IKAB Cc1ncsc1C(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643581934 HJUWZCLVBKBRMA-NRFANRHFSA-N 435.593 5.513 0 40 IKAB S=C1NC(c2ccc(Cl)cc2)=C[C@H](c2cn(-c3ccccc3)nc2-c2ccco2)N1 642602 TXIQSROKADLIEY-HXUWFJFHSA-N 432.936 5.346 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(Cc1ccccc1Cl)C(=O)C(F)(F)F 800161 BZWGVWOELUPGQD-KRWDZBQOSA-N 444.906 5.093 0 40 IKAB COc1ccccc1NC(=O)c1c(NC(=O)c2ccco2)sc(-c2ccccc2)c1C 850259 ZQRZSTCSTHPOHO-UHFFFAOYSA-N 432.501 5.830 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)N3CCCC[C@@H]3C)n2)cc1 920460 ASZYKPGTNFOKER-AWEZNQCLSA-N 439.503 5.054 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(-c3ccccc3)cc2)sc2c1CC[C@H](C)C2 1747438 BRQPEWKSOXQHBT-INIZCTEOSA-N 435.545 5.344 0 40 IKAB CCc1ccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)CC(C)(C)C)ccc3c2=O)cc1 1913199 AMEYSBWQJQHAAR-UHFFFAOYSA-N 448.437 6.508 0 40 IKAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3cccc(Cl)c3n2)cc1 2079603 YJUUCONSOYGPAI-MRXNPFEDSA-N 445.902 5.992 0 40 IKAB Fc1nc(F)c(Cl)c(Oc2ccccc2Oc2c(F)c(F)nc(F)c2Cl)c1F 2201286 XAKQYNUIGFVZOV-UHFFFAOYSA-N 441.114 6.203 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2669391 GZRPASCUIUTBNA-UHFFFAOYSA-N 427.356 6.375 0 40 IKAB CCCc1ccc(OCc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc2)cc1 2755769 GHLJRJJTPKIRRF-UHFFFAOYSA-N 431.532 6.036 0 40 IKAB CCOC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)c1ccccc1C 2759912 GNAFIBNEQUIJOR-UHFFFAOYSA-N 447.600 7.200 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)cc(C)c4)cc3N2)cc1 3011617 AOKRXBYQBKYXIW-AZUAARDMSA-N 444.457 5.421 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cccc2ccccc12 3241541 MVZHMXZSHWYFSU-UHFFFAOYSA-N 440.593 7.309 0 40 IKAB O=C(c1cnc(Cl)c(Cl)c1)N(c1cccc(Cl)c1)c1nc2ccccc2s1 3245414 UZSSKDPWCUFATR-UHFFFAOYSA-N 434.735 6.630 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccccc1OC(F)F 3271505 OUVGOYKLXZGDBJ-UHFFFAOYSA-N 429.803 5.091 0 40 IKAB COc1cc2c(cc1NC(=O)Cc1sc(C)nc1-c1ccc(F)cc1)oc1ccccc12 3298983 RLDQYCBAZQESDO-UHFFFAOYSA-N 446.503 6.347 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2[C@H](C)N2CCCCC2)cc1 3318538 WRIMJNDLTKBZJR-KRWDZBQOSA-N 443.016 5.769 0 40 IKAB Cc1ccc(-c2cc3nc(SC[C@H]4CCCO4)n(Cc4ccccc4)c(=O)c3s2)cc1 3440530 LSSTVLYVPLNVPE-HXUWFJFHSA-N 448.613 5.753 0 40 IKAB O=C(N[C@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)Oc1ccccc1 3663226 XKQHKPHKORTDTL-OAQYLSRUSA-N 443.528 5.149 0 40 IKAB Cc1nc(S[C@@H](C(=O)c2c[nH]c3ccccc23)c2ccccc2)c(C(N)=O)c(C)c1C 8704923 AXAGZAAJODMGCV-HSZRJFAPSA-N 429.545 5.303 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)Nc2ccccc21)Nc1ccc(F)c(Cl)c1 8756981 XEVBTLLCABSAPX-UHFFFAOYSA-N 431.964 6.074 0 40 IKAB CCc1ccccc1N1C(=O)[C@@H]2Cc3c([nH]c4ccccc34)[C@@H](c3cccc(C)c3)N2C1=O 8918394 HNFSUUJPILPBLM-AZGAKELHSA-N 435.527 5.522 0 40 IKAB biogenic O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Br)cc1C(=O)O 8951979 RRZGDYJJAHRENE-UHFFFAOYSA-N 447.112 5.252 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)CCC(=O)N2CC(C)C 9137533 WINRXOIUOBIULM-UHFFFAOYSA-N 437.927 5.491 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccs3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 9159200 GCVWRKJCELMRCW-BHIYHBOVSA-N 445.327 5.106 0 40 IKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(-c4ccccc4)cc3)co2)n1 9739717 VXTYALBLDIIFOJ-UHFFFAOYSA-N 435.526 5.583 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 9892107 ODSCSZPHUXTEKF-GOSISDBHSA-N 442.515 6.423 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Cl)cc1 9933334 KBIWUCRJQQWDMK-XMMPIXPASA-N 429.907 5.314 0 40 IKAB COc1ccc2nc(N(Cc3cccnc3)C(=O)CCSc3ccc(C)cc3)sc2c1 10187727 WPRMCGPUYANWDX-UHFFFAOYSA-N 449.601 5.724 0 40 IKAB O=C(CCCSc1ccccc1)N(Cc1ccncc1)c1nc2ccc(F)cc2s1 10254371 MWHNXNXNUHEBGL-UHFFFAOYSA-N 437.565 5.936 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3c(Cl)cccc3Cl)c2)cc1 10314967 WVUGHCMBYODUMA-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)C4(c5ccccc5)CCCC4)ccc3o2)cc1Cl 10372785 QSVPONIQPXBLQI-UHFFFAOYSA-N 446.934 6.607 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1)c1cc2ccccc2oc1=O 11565541 DWFOIITWTXMTCS-UHFFFAOYSA-N 431.300 5.399 0 40 IKAB Cc1ccc2nc(NC(=O)CSc3c(-c4ccccc4)[nH]c4ccccc34)sc2c1 11634439 GOARGIJBZJTZKM-UHFFFAOYSA-N 429.570 6.484 0 40 IKAB O=C(Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1ccc(F)c(F)c1F 12644298 GKQOCBVUQDXMNU-UHFFFAOYSA-N 426.373 5.740 0 40 IKAB Cn1c(SCc2nc3cc(Cl)ccc3n2Cc2ccccc2)nnc1C(F)(F)F 12821459 XGIBZOCFCWIDAB-UHFFFAOYSA-N 437.878 5.178 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 12884704 WGMSAPHMAAAPQH-UHFFFAOYSA-N 426.516 5.581 0 40 IKAB O=C(c1ccc(OC(F)F)cc1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CCCC1 12997729 OQISPVIIHMGRAV-UHFFFAOYSA-N 447.869 5.576 0 40 IKAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 13955063 VFLUSTQOMUBISC-MRXNPFEDSA-N 433.895 5.771 0 40 IKAB COc1cc(CN(Cc2ccncc2)Cc2oc3ccccc3c2C)cc(OC)c1OC 13989721 PSQQEXPOEDHVIX-UHFFFAOYSA-N 432.520 5.364 0 40 IKAB O=S(=O)(Nc1nn(Cc2ccccc2Cl)cc1Cl)c1ccc2ccccc2c1 14234550 GPINJZQMRWVCDU-UHFFFAOYSA-N 432.332 5.192 0 40 IKAB COc1cc(CNCCc2ccccc2)cc(Br)c1OCc1ccccc1F 16195862 POJOUAOHAOGUJZ-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2cccc(Cl)c2)o1 16399069 NCFUERPCXJWRGR-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB CCOP(=O)(OCC)c1cc2c(nc1SCc1nc3ccccc3[nH]1)CCCCC2 16688038 IVHUISVGDHNZHA-UHFFFAOYSA-N 445.525 5.411 0 40 IKAB CCSc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 17316837 FSPHBGSPFJEWOU-QFIPXVFZSA-N 447.608 5.750 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3sc(C)nc3C)cc2)on1 19123901 YVMVKHMWGKPWHB-UHFFFAOYSA-N 447.564 5.234 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)Cc2ccc(OC)c(C)c2)n1 19525638 OVTSOHRKLXXVAX-QHCPKHFHSA-N 444.579 5.023 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1 19645745 QBESIBOWBJAARB-UHFFFAOYSA-N 447.391 5.061 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)cc(C(=O)O)c1O 20151086 XDXULRPXLKUCRG-SOFGYWHQSA-N 431.366 5.330 0 40 IKAB COc1ccccc1NC(=O)N(C1=NCCCCC1)c1nc(-c2ccc(C)cc2)cs1 22756988 NTZWMZYGRPXFKA-UHFFFAOYSA-N 434.565 6.138 0 40 IKAB Cc1cccc2sc(NC(=O)Cc3csc(Nc4cccc(C(F)(F)F)c4)n3)nc12 23235691 PVVQREAOLXMAOW-UHFFFAOYSA-N 448.495 6.005 0 40 IKAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)s1 24831146 JOUUJKWJMYKYEO-FMIVXFBMSA-N 431.966 5.432 0 40 IKAB CSc1ccc(N2C[C@@H](C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2=O)cc1 24927519 AGLGDBMZVNZYKC-SFHVURJKSA-N 449.601 5.087 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SC(c3ccccc3)c3ccccc3)nc2c1 25398276 KSPBKSFJBYXCLI-UHFFFAOYSA-N 433.576 7.792 0 40 IKAB CCN(C(=O)c1cc(-c2ccccc2)nc2onc(C)c12)c1cccc(Br)c1 27679626 RAEIWROHXSKASL-UHFFFAOYSA-N 436.309 5.627 0 40 IKAB Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccc(Cl)cc4)n3)c(=O)c12 29391493 CNMPZOUMFLQCBS-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB CC(C)Cn1c(S[C@@H](C)c2nc(-c3ccco3)no2)nc2ccc(Cl)cc2c1=O 29737739 JQPDVFFERJFNPU-LBPRGKRZSA-N 430.917 5.202 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4Cc5no[n+]([O-])c5C[C@]4(C)[C@@H]3CC[C@]12C 36371658 WOECLDQDCSEWTG-WRUPXOJVSA-N 428.661 6.344 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)NC(C)C)n2-c2cccc(C(F)(F)F)c2)cc1 44087752 PLTGSYGKMJLAII-UHFFFAOYSA-N 449.498 5.183 0 40 IKAB O[C@@H]1CCCc2c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc21 57049731 WJQLGSFNVVNNMH-HHHXNRCGSA-N 445.006 6.367 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccc(F)cc1)CO3 58088588 SFQASBQEPGPZHK-UHFFFAOYSA-N 429.491 5.492 0 40 IKAB biogenic C[C@H]1[C@H]2[C@H](C[C@H]3[C@@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@@]32C)O[C@]12CC[C@@H](C)CO2 70664512 KEOLCBLQBIWDBI-QQTCTJOGSA-N 446.672 5.155 0 40 IKAB biogenic CN(Cc1ccc(Cl)cc1)C(=O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 72356317 XOZGHSZUVXYRFM-HSZRJFAPSA-N 446.978 5.348 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccsc2)=NN1C(=O)c1ccc(Br)o1 77160637 VUJMONJBBAOSMX-OAHLLOKOSA-N 431.311 5.104 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1NCCc1ccc(Cl)cc1 95944708 UQRAMRCSUOQYMM-UHFFFAOYSA-N 446.934 5.824 0 40 IKAB O=C(Nc1ccc(C23C[C@@H]4C[C@H](CC(Cl)(C4)C2)C3)cc1)c1cc(Cl)cc(Cl)c1 100492522 NXYJOFDEHIBKRG-XIOXLVNTSA-N 434.794 7.075 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100901254 IBKYNEFOMSOAHD-ACRUOGEOSA-N 439.298 5.045 0 40 IKAB CN(C)CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4C(C)(C)N(C)C)[C@@H]3CC[C@@H]2C1 118923229 YQHUMJXBHFISTA-WUBRWIEISA-N 446.720 5.459 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)c(Cl)c1 223140559 RKJIWAWDFHULCV-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223167961 NBDCTNVAFFVIIV-QFIPXVFZSA-N 426.626 5.032 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223838078 MYCNASSPLMVNMN-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223965217 CJBOZFDFTOHOAG-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)c(C)c1 224111027 KATOUILTWKNYMR-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 224121898 GOPYYGRZUOJGSY-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(Cl)c(C)c1 224204968 UNGPLGAABYKKKX-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(Cl)cc1 224351289 OXRRTIPCPBICDI-UHFFFAOYSA-N 425.937 6.096 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 224555793 UTWVDNBEBXSLIB-QFIPXVFZSA-N 447.044 5.320 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225326450 BUBZAVNXQPXZHA-UHFFFAOYSA-N 428.403 7.033 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)COc2ccc(C)c(C)c2)c1 225447833 HJFVWWJYXXEGAV-ORQKMDSUSA-N 448.588 5.028 0 40 IKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1nc(Cl)cc(N2CCCC2)n1 225923052 GZDLKYDRLODGRD-UHFFFAOYSA-N 448.379 5.130 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 245240334 PECVQXJSAFWCOS-WERPUMBRSA-N 446.716 6.822 0 40 IKAB COc1ccc(Br)cc1[C@@H]1Nc2c(C(=O)O)cccc2[C@@H]2[C@H]3CC[C@@H](C3)[C@H]12 250408012 SPTILVJSMGMUBZ-VPXOMJNPSA-N 428.326 5.452 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(Cl)c2)cc1 408578562 YUIOXPPIOJLKHP-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OCC 408617353 BXTIEGUUIGOUOL-UHFFFAOYSA-N 439.939 6.881 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3ccccc3)c(Br)c2)C1=O 409022275 LUSIUTDAAXNJMB-WOJGMQOQSA-N 432.339 5.473 0 40 IKAB O=C1S/C(=C/c2ccc(Sc3nc4ccccc4[nH]3)o2)C(=O)N1CC1CCCCC1 409130006 HYYNTRSSAIFOKJ-LDADJPATSA-N 439.562 5.924 0 40 IKAB COC(=O)c1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409339246 GCLYGENFVQMHRB-HHHXNRCGSA-N 448.522 5.839 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)cc(C)c2)C1=O 409351751 YYKHSISTEZSWLN-YBFXNURJSA-N 444.940 5.031 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccccc1OCC 710665 YIDJSMZQNWDTOC-UHFFFAOYSA-N 449.547 5.200 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1 884962 NETJERIYNYJDNS-UHFFFAOYSA-N 445.588 5.754 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccccc1Br 886790 YBROOQQVFONFJL-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OCC(=O)OC(C)C)ccc3c2=O)c1 942557 SNCIXPKOQZZONU-UHFFFAOYSA-N 436.382 5.243 0 40 IKAB C[C@@H](c1ccccc1)n1cnc2cc(NS(=O)(=O)Cc3ccccc3Cl)ccc21 1125087 LGZJDOMWASTSDR-INIZCTEOSA-N 425.941 5.241 0 40 IKAB C[C@@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385963 MJQRQPHYLWXWOI-CQSZACIVSA-N 426.850 5.200 0 40 IKAB O=C(NCCc1ccc(F)cc1)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 2121901 SDLHJRGNVVUMBN-UHFFFAOYSA-N 437.518 5.613 0 40 IKAB biogenic CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1F 2256304 CSTQWRYBURWMPM-NHCUHLMSSA-N 448.548 5.761 0 40 IKAB COc1ccc(C(=O)Nc2nn(Cc3ccc(Cl)cc3Cl)cc2Cl)c(OC)c1 2805355 FXSMBBWPPRATDJ-UHFFFAOYSA-N 440.714 5.161 0 40 IKAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1OC(=O)c1ccccc1Cl 3005676 WDFJNWFCMMGFSO-DEDYPNTBSA-N 447.874 5.221 0 40 IKAB O=C(Nc1ccccc1-c1cc(-c2ccccc2)nn1-c1ccccc1)c1ccc(Cl)cc1 3223864 JJRCJVRFILFVML-UHFFFAOYSA-N 449.941 7.112 0 40 IKAB CC(C)Cc1ccc([C@@H](C)NC(=O)C[C@@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3336743 UZOPGBATXQGZCK-QFQXNSOFSA-N 428.576 5.624 0 40 IKAB COc1ccc(C)cc1-n1c(SCC(=O)c2cc(C)ccc2C)nc2ccccc2c1=O 3350291 GHDPFVHXKDZWQU-UHFFFAOYSA-N 444.556 5.295 0 40 IKAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)cc1 3408116 OSWFGJZLEXOAOG-UHFFFAOYSA-N 443.499 5.335 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3417277 VEDNUJADMMQTTG-UHFFFAOYSA-N 440.830 5.805 0 40 IKAB CCCCc1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1 3530289 YMNYPNNVLARZMX-HMMYKYKNSA-N 425.575 5.875 0 40 IKAB CC(C)[C@H](CCNC(=O)C[C@@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 5398447 LFWUOLPEABZMPN-OFVILXPXSA-N 432.004 6.096 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 8383680 ADPIXNRAJXWMMI-INIZCTEOSA-N 449.959 6.662 0 40 IKAB CCOC(=O)C(C)(C)Oc1cccc2c1sc1c(OC(C)(C)C(=O)OCC)cccc12 8431249 CRNIWHNTHBGVJX-UHFFFAOYSA-N 444.549 5.496 0 40 IKAB CC(=O)Nc1ccc(SCC(=O)N2N=C(c3ccc(C)o3)C[C@@H]2c2cccs2)cc1 8727862 STWBSMRZWQQMMH-LJQANCHMSA-N 439.562 5.078 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cc1C 8747642 FUGPPGVMZBIOHW-DEOSSOPVSA-N 442.588 5.076 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Br)cc1 8832188 LMTZPWKXAPHIOQ-UHFFFAOYSA-N 449.352 5.867 0 40 IKAB Cc1ccc(Sc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccc(C)cc2)cc1 8873427 AXSVOVWVUFSSNV-UHFFFAOYSA-N 432.570 5.744 0 40 IKAB CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nc2ccccc21 8965766 BYIHVCMXYAWBSV-SFHVURJKSA-N 436.562 5.181 0 40 IKAB CCn1c(SCc2cc(=O)oc3cc(C)c(C)cc23)nnc1-c1ccc(Cl)cc1 9071600 IDNABGRCWNBQKE-UHFFFAOYSA-N 425.941 5.634 0 40 IKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)n1 9159853 ULWKOTUAEAWQNZ-RUZDIDTESA-N 438.527 5.986 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(N(C)C)cc3)nnc2-c2ccccc2)cc1 9307825 ZTIIXGBEQVKKOZ-UHFFFAOYSA-N 443.576 5.040 0 40 IKAB COc1ccc([C@H](CNC(=O)Cc2c(F)cccc2Cl)c2c[nH]c3ccccc23)cc1 9591902 PTGNCUULNMRFNW-FQEVSTJZSA-N 436.914 5.460 0 40 IKAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1C1CCCC1)Nc1ccccc1F 9752422 VLJLDGWENZZAGX-UHFFFAOYSA-N 437.496 5.128 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1ccc(Cl)cc1 9959487 FXHOARYLIHFUDI-UHFFFAOYSA-N 436.895 5.208 0 40 IKAB C[C@@H]1Cc2cc(C(=O)Nc3cccc4ccccc34)ccc2N1S(=O)(=O)c1ccccc1 10325242 OINCCMMGPLHKPE-GOSISDBHSA-N 442.540 5.232 0 40 IKAB COc1cccc2cc(/C=C/C(=O)OCC(=O)Nc3c(C(C)C)cccc3C(C)C)oc12 11579390 OJTSPCZQTKKDIF-OUKQBFOZSA-N 435.520 5.883 0 40 IKAB Cc1ccc(-n2nc(C)c3c(Cl)c(C(=O)NCc4ccccc4Cl)cnc32)cc1 11665725 OPUCKJAQECVAKH-UHFFFAOYSA-N 425.319 5.274 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(CC)cc32)cc1 12486058 QZNOOUHQNGJGOW-UHFFFAOYSA-N 431.967 6.515 0 40 IKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3C(F)(F)F)nc3onc(C)c23)c1 12775047 REAZUOYGMZJHNM-UHFFFAOYSA-N 439.393 5.672 0 40 IKAB COc1cccc(/C=C/C(=O)N(c2ccc(C(C)=O)cc2)c2nc3ccccc3s2)c1 12794886 IJUCHJWDPUUNPL-XNTDXEJSSA-N 428.513 5.886 0 40 IKAB CCN1CCc2nc(NC(=O)c3ccccc3OCc3ccc(Cl)cc3)sc2C1 12862297 DFMFKXGXBSHFNB-UHFFFAOYSA-N 427.957 5.006 0 40 IKAB COc1cc(/C=C/c2ccc3cccc(O)c3n2)ccc1OCC(=O)Nc1ccc(C)cc1 13031185 GDBBOMXINJJBSE-MDWZMJQESA-N 440.499 5.445 0 40 IKAB COc1ccc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3)N2C2CC2)cc1 13112500 MNVDLDBUNHXHKM-AREMUKBSSA-N 434.543 5.835 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@@H](CCC[C@@H]2Cc2ccccc2)[C@@H]1c1ccccc1 13303629 OXLKVVAPTOWHKX-QQSVUBKYSA-N 443.978 6.944 0 40 IKAB COc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@@H](c1ccc(Cl)cc1Cl)O2 13801892 YUJGBZOSUCRAIS-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1Cl 14271971 ADCWGIKTLHYDEZ-UHFFFAOYSA-N 448.693 6.111 0 40 IKAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Br)cc3)cs1)CCCC2 15862744 JVLNOTOAXPVUFN-UHFFFAOYSA-N 428.277 5.656 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3c(F)cccc3Cl)c(OC)c2)cc1 16216631 WGGNQPGZYAZLGG-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB Cc1c(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cccc1-c1nc2ccccc2s1 16250075 SGCUVJSKMBGAIX-UHFFFAOYSA-N 436.964 6.721 0 40 IKAB Cc1cc(SC(=O)c2ccc(Cl)cc2)nc(SC(=O)c2ccc(Cl)cc2)n1 16283698 DAVZSCCFLUWGEC-UHFFFAOYSA-N 435.357 5.957 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cc(C)cc(C)c3)n2-c2ccccc2)cc1 16807884 DYYZPYCQTJYFLH-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1ccc(-n2c(SCc3ccc(F)cc3)nc3c([nH]c4ccccc43)c2=O)cc1 16954935 BKJGMIYUUCWKHD-UHFFFAOYSA-N 431.492 5.307 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)sc3c2CCCC3)c1 19632186 LRMSCPDGQMWNOZ-IAGOWNOFSA-N 440.565 5.017 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 19688184 MEZFSIIQFAMADH-FQEVSTJZSA-N 443.497 5.519 0 40 IKAB CCOC(=O)/C=C(\C)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 20085938 BYYWEIYBQNVJNG-FZYUUDAHSA-N 436.502 6.028 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610645 CLXFGSBKJHEUFT-SFHVURJKSA-N 428.536 5.974 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21032048 AKVLRRZINWFQDR-LJQANCHMSA-N 438.911 5.063 0 40 IKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc2ccccc2n2c(C(C)C)nnc12 21658060 YFBMJUKNEIBAJN-UHFFFAOYSA-N 449.967 6.310 0 40 IKAB CCn1c2ccccc2c2cc(CNn3c(-c4ccccc4OC)n[nH]c3=S)ccc21 22111289 TXGHWSXYVCHLFM-UHFFFAOYSA-N 429.549 5.488 0 40 IKAB O=C(CSc1ccccc1F)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 22993417 ROZGEXJGHHCDCG-UHFFFAOYSA-N 430.936 5.195 0 40 IKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2NC(=O)C2CCOCC2)cc1 24643671 JBUJLZGHFMACNL-UHFFFAOYSA-N 435.907 5.728 0 40 IKAB O=C(NC[C@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12)c1cccs1 27742106 BIXPHAMUJVJKNN-QGZVFWFLSA-N 425.351 5.554 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1cc(Br)c(O)c(Br)c1 32116546 SNAZVRMQIXYZFU-ZZXKWVIFSA-N 431.511 5.223 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cccc(OCCC)c3)sc2c1 32119027 AHGFYUUYHGIQDO-UHFFFAOYSA-N 427.595 5.555 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)Nc1ccc(Cl)cc1 32692512 RWQLBQGVHAYTHF-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)n1 32970947 FIVYHSNVTNUVTL-IBGZPJMESA-N 443.576 5.062 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 33026468 RDYVVVJTYQFYQS-UHFFFAOYSA-N 444.560 5.556 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 33415103 NZKZOAIVIADIPA-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(NC(=S)Nc1cccc2cc(O)ccc12)c1cc(Br)ccc1Cl 33612289 ZLMLDLGRHLEZGZ-UHFFFAOYSA-N 435.730 5.088 0 40 IKAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@H]2C(=O)O 35191417 NGZQPIDJKGPPTM-NLEAXPPASA-N 438.593 5.739 0 40 IKAB CC[C@H](CCNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)n1cc(Cl)cn1 36617882 AYJBCJVNGZQJOB-MRXNPFEDSA-N 427.961 5.017 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3cc(-c4ccccc4)on3)ccc2Oc2ccccc21 38677956 IUOASJSKTSXUCX-UHFFFAOYSA-N 425.444 5.366 0 40 IKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2Cl)cc1 39404161 NRYQOHSJPLCWSM-UHFFFAOYSA-N 440.934 6.362 0 40 IKAB Cc1ccc(-c2csc(C(=O)Nc3ccc(Br)cc3)c2-n2cccc2)cc1 64472576 ATZCZCVGDQINRA-UHFFFAOYSA-N 437.362 6.529 0 40 IKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C(F)(F)F)n1 67297962 MJVAADFBAKIRBL-SLMZUGIISA-N 439.393 5.345 0 40 IKAB Cc1nc(-c2ccccc2F)sc1CNC(=O)CSc1nc2ccccc2s1 90592924 FNEYQZSHLWXNBR-UHFFFAOYSA-N 429.567 5.276 0 40 IKAB Cc1ccccc1C(=O)N1CCC(c2cc3c(ncn3C(C)C)c(NCC3CC3)n2)CC1 96155627 WXKLQKYMDWQUHK-UHFFFAOYSA-N 431.584 5.162 0 40 IKAB CCc1ccccc1NC(=O)C(=O)CC(=O)c1sc(Nc2ccccc2Cl)nc1C 102956667 ZVDCGYJMRRRQJW-UHFFFAOYSA-N 441.940 5.192 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(Cl)c(Cl)c2)cc1 106937278 KFXIRDYUFKJWPD-GMAHTHKFSA-N 443.761 7.198 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 107678997 OJSFCSYGQUYJMP-IYBDPMFKSA-N 426.538 5.407 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](/C(C)=C/CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 195753650 ZIGPUMCZEUYNPF-QPYCBBGMSA-N 426.685 7.880 0 40 IKAB O=C(N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1)C1(c2cccs2)CCCC1 207016114 JLGWUQOJCUTZGE-INIZCTEOSA-N 427.595 5.153 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)c1 222584570 LDVIFZNVVJFYRN-NRFANRHFSA-N 444.575 5.497 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)N1CCN(c2cccc(Cl)c2)CC1 222719764 ZYEHLWWGPGKDPU-UHFFFAOYSA-N 429.800 5.229 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 222720087 KJZUNXWGCBOWGE-QTLGCAHFSA-N 446.620 5.786 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1c(C)c(C)n(-c2cccc(Cl)c2)c1C 222771734 LMNBLBRWVABVNA-FCHUYYIVSA-N 425.001 5.443 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222826110 SDTNTNDZCHTRCV-CYBMUJFWSA-N 427.759 5.090 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 223304700 MVFTVGGNGSHEKA-ODHYRZOZSA-N 430.548 5.534 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 223609928 WLVZPZOIGSMECK-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1C(C)C 224567674 LPRKYROSAHLXBH-UHFFFAOYSA-N 433.548 6.357 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C(C)C)c2)cc1 224570577 YJIFSNUFTYOBEM-UHFFFAOYSA-N 445.603 7.383 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 224643238 XZSAAXSWQQBJFJ-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)n1 225287296 BAQWTAPYUMGNHC-UHFFFAOYSA-N 431.964 5.004 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H]2CC(C)(C)Oc3ccccc32)cc1 225316417 MZGCXWRTVBFFNZ-GYZZIOIESA-N 446.572 5.246 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1Cl 225518478 GPPDOLGDMUPHPP-UHFFFAOYSA-N 433.951 6.124 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225586993 XQNUDGIKKATRBA-UTKZUKDTSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225724178 PEUDUBHRCSQKBQ-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1C(F)(F)F 225777025 YDFRKVMYLRTDDT-UHFFFAOYSA-N 427.850 5.444 0 40 IKAB CC1(C(=O)Nc2ccc(OC(F)(F)F)cc2)COC(c2cccc(C(F)(F)F)c2)OC1 225920635 FJZGEIWLXYCPJG-UHFFFAOYSA-N 449.347 5.294 0 40 IKAB O=C(OC12CC3CC(CC(C3)C1)C2)c1cc(-c2cc3ccccc3oc2=O)ccc1Cl 226357948 AKCZXDBMSSFSSM-UHFFFAOYSA-N 434.919 6.239 0 40 IKAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCCc3ccccc3)CCOCC2)c1 257303173 SGBMCJXJCSKPHS-UHFFFAOYSA-N 447.550 5.200 0 40 IKAB CCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC 314317862 PFAOZXMVXIZGKU-UHFFFAOYSA-N 429.152 5.539 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408640281 IIBGDILVURWCER-NSHDSACASA-N 431.241 5.312 0 40 IKAB Cc1ccc(COc2ccc(Cl)cc2CNc2ccc(Oc3ccccc3)cc2)cc1 409118238 ZHJZZUHOXDLUJV-UHFFFAOYSA-N 429.947 7.632 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(C(F)(F)F)c2)C1=O)Nc1ccccc1Cl 409226305 MTTBNFJDHAZDDV-OQLLNIDSSA-N 440.830 5.034 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@H](OC(=O)c4ccccc4)CC[C@H]32)C1 584577847 JVRUDYNTKOCRNP-DAQFFZEDSA-N 436.592 6.107 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1)c1ccc2ccccc2c1 1615055187 IJXMNPNUJSQEJP-SBUREZEXSA-N 442.481 5.109 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCCC3=CCCCC3)c3cc(Br)ccc3n2)cc1 685756 YGOOMMSQZAPJNZ-UHFFFAOYSA-N 449.392 6.593 0 40 IKAB CCc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nc2ccccc2c1=O 1329105 WEQNRVIKRUPSDW-UHFFFAOYSA-N 449.963 5.332 0 40 IKAB O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3c(Cl)cccc3Cl)ccc12 1940850 IXMFVIAZYCSXQW-UHFFFAOYSA-N 431.702 6.999 0 40 IKAB biogenic Cc1cc(C(=O)Nc2sc(C)c(-c3ccc(C(C)C)cc3)c2C(=O)OC(C)C)c(C)o1 2107979 QBEFYAVVYXEFOS-UHFFFAOYSA-N 439.577 6.874 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1Cl 2158828 KECJEEBNMZZHJU-UHFFFAOYSA-N 436.125 6.666 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccc(C)cc5c(=O)c4[C@@H]3c3cccs3)sc2c1 2232275 JNXYDKVZIGYUKJ-FQEVSTJZSA-N 444.537 5.831 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1 2367080 QGGZIEOKSYEZIT-RXFWQSSRSA-N 440.318 5.172 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Cl)cc1Cl 2371004 TVDPOCVINOIXSD-NFQMXDRXSA-N 430.312 5.717 0 40 IKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 2371300 MWFOKAYITOYHQX-QABMSTFYSA-N 442.927 6.547 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Cl 2798910 FXVANQJKWZEPGB-GFCCVEGCSA-N 437.874 5.935 0 40 IKAB COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1ccc(Cl)c(Cl)c1 3135900 DLJWKQIFDADXIM-UHFFFAOYSA-N 444.318 6.207 0 40 IKAB O=C(OCc1csc(-c2ccccc2)n1)c1cc(-c2ccccc2)nn1-c1ccccc1 3251561 KYYATBCPEHPYLX-UHFFFAOYSA-N 437.524 6.020 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)c1ccccc1Br 3297107 CWVBDYLNYDSQMF-UHFFFAOYSA-N 444.133 6.010 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SC[C@@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 3412603 LZKZODGLOMQBGY-KRWDZBQOSA-N 432.420 6.518 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc2c(c1)-c1ccccc1C2 3422012 XCFHAUSFQQNSSF-HHHXNRCGSA-N 432.523 5.758 0 40 IKAB COC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3cccnc13)c1ccccc12 3656733 SFFSJCSJHCDBIO-UHFFFAOYSA-N 446.484 5.030 0 40 IKAB O=C1C=C(Nc2ccc(Oc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1 3953749 QCTKLYYXMZRDRF-UHFFFAOYSA-N 448.478 6.140 0 40 IKAB Cc1ccnc(NC(=O)c2cccc(NC(=O)CC(c3ccccc3)c3ccccc3)c2)c1 8452579 BNIRVHDZCPHCDD-UHFFFAOYSA-N 435.527 5.803 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(-c3ccccc3)on2)cc1F 8673967 DQOXHGBDRMSBQV-UHFFFAOYSA-N 440.430 6.019 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8752196 YMJRHCCWXVGTOA-INIZCTEOSA-N 449.913 5.406 0 40 IKAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc(Cl)cc3)cc12 8765706 BCSLXOWOKHCADM-UHFFFAOYSA-N 428.293 5.026 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 8837847 DSWJCNQJLMSPAN-OAQYLSRUSA-N 430.379 5.737 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)c1 9273241 GFOSQLKLEMWJOU-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB Cc1ccc(-n2nnnc2S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)c(C)c1 9507963 PJHDFDZZJSNQSG-QHCPKHFHSA-N 443.576 5.368 0 40 IKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3cc(C)ccc3n2)cc1 9583405 OLHHVMAQLRODPK-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB CCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(Br)cc2)cs1 9606901 YAEIUGMXODCVHQ-UHFFFAOYSA-N 430.371 6.248 0 40 IKAB CCN(C(=O)Nc1cccc(C)c1C)c1nc(-c2ccc(Br)cc2)cs1 9606904 IBTBIHCCOPHLNH-UHFFFAOYSA-N 430.371 6.248 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 10449842 DMQQUKWGUSCKMO-WINIVTDRSA-N 442.584 5.095 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)cc1 12195806 LDMWKTXETIJEGU-FYYLOGMGSA-N 426.850 5.869 0 40 IKAB O=C(Cc1nc2ccccc2s1)OCC(=O)N1c2ccccc2Sc2ccccc21 12285120 JRMOWPAZXGVQLA-UHFFFAOYSA-N 432.526 5.212 0 40 IKAB O=C(CSc1nnc(C[C@H](c2ccc(F)cc2)c2ccco2)o1)c1ccc(Cl)cc1 12389881 SFOSNYPIVCFSQI-GOSISDBHSA-N 442.899 5.805 0 40 IKAB S=C1N[C@H]2c3cc(Br)ccc3O[C@@]3(CCC[C@@H]23)N1c1cccc(Cl)c1 12437462 LWZPLZNHNPFDOQ-VDZJLULYSA-N 435.774 5.427 0 40 IKAB COCc1cc(C)nc2sc(-c3cc(-c4ccc5c(c4)OCO5)no3)c(-n3cccc3)c12 12445380 MEECFFSFENYDGW-UHFFFAOYSA-N 445.500 5.593 0 40 IKAB Cc1nc(SCC(=O)N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccco2)nc(C)c1C 12541542 SAPQVLAWNUDUNX-LJQANCHMSA-N 440.956 5.118 0 40 IKAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C)c(Cl)c2)ccc1C 12634602 GDRCHEDZCUHWCZ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 13063069 NNHXJRBLUOTSAV-NRFANRHFSA-N 425.532 5.334 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)c1 14155123 HHDSSYBUCUBMCW-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)CSc4ccc(Cl)cc4)c3)oc2c1 14272201 LFMQGUUBLGEHDE-UHFFFAOYSA-N 443.355 6.841 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3C)nnc2-c2ccccc2OC)cc1 15276296 GZLPYRCUESCXKJ-UHFFFAOYSA-N 447.560 5.431 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(OCc4ccccc4)cc2)N3)C1 17085923 YYVVLIYYXWRGTF-YADARESESA-N 446.616 6.332 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 17097756 YMCVVFPKJBNBHK-XNTDXEJSSA-N 431.967 5.314 0 40 IKAB CC(C)Oc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc1 19450632 PFRUPJQXTWCCGR-SQJMNOBHSA-N 449.620 5.314 0 40 IKAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 19890735 YTQDVJBQFPFPJM-IAGOWNOFSA-N 426.563 5.418 0 40 IKAB Cc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1 19997876 NGORKLMUQWVWDZ-UHFFFAOYSA-N 447.629 5.078 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 20457957 RITMUFFMDAPEDB-HNNXBMFYSA-N 443.952 6.269 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4ncccc4o3)cc(Cl)c2OC)cc1Cl 20611403 RMKACKPSJLYBQD-UHFFFAOYSA-N 444.274 5.466 0 40 IKAB CCOc1ccc2nc(NC(=O)Cc3csc(Nc4cccc(Cl)c4)n3)sc2c1 23236581 BBUKVPGVPOAOJF-UHFFFAOYSA-N 444.969 5.730 0 40 IKAB O=C(COc1ccc(Cl)cc1)n1c(SCc2ccccc2F)nc2ccccc21 27026499 OWKHKRBKUUYBSA-UHFFFAOYSA-N 426.900 5.840 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3cccc(C)c3)CC2=O)cc1 27789051 MWMCVVCZTIECAQ-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB Cc1ccc2nc(CSc3ccccc3NC(=O)Nc3ccc(C)c(F)c3)cc(=O)n2c1 33026509 GVAALKCMPCCZAX-UHFFFAOYSA-N 448.523 5.387 0 40 IKAB O=C(CSc1nccc(N2CCCCCC2)n1)Nc1ccc(Cl)c(C(F)(F)F)c1 33309971 DFXJQOLTUNSURW-UHFFFAOYSA-N 444.910 5.260 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 35145419 PCIWJFVRKQTIRR-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc(Br)cc2)cc1OCC 35376292 LQQGYXLPFIWTED-UHFFFAOYSA-N 435.314 5.066 0 40 IKAB O=C(Nc1cccc(Br)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833934 CIHXZHHIVKVUBJ-AWEZNQCLSA-N 442.184 5.607 0 40 IKAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)NC[C@@H](c1ccccc1Cl)N1CCCC1 40043256 IBJZFGOMBJXOBT-SFHVURJKSA-N 448.032 5.261 0 40 IKAB O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 59417538 CFTQACWPRVOJHE-UHFFFAOYSA-N 438.505 5.678 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 59557301 YHRNAXOVSFJJPE-UHFFFAOYSA-N 443.635 5.554 0 40 IKAB CCC(C)(C)C1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4c(c3)OCCO4)=NN12 67321568 YGVYYFIPSKWOBV-BPNDJBKRSA-N 446.591 6.324 0 40 IKAB Cc1nc(CC(=O)N2CCC[C@@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cs1 72350064 KKFIEPKHRRINRA-GOSISDBHSA-N 425.985 5.039 0 40 IKAB C[C@@H](c1nnc(-c2ccc(Cl)cc2Cl)o1)N(C)CC(=O)Nc1ccc(Cl)cc1 79097979 MMZGOMGPHDZXSM-NSHDSACASA-N 439.730 5.328 0 40 IKAB CCc1c(-c2ccc(F)cc2)nn2c1NC(=O)[C@@H]2CC(=O)Nc1ccc(Cl)cc1Cl 90594503 MOTROQYIYFOWDU-KRWDZBQOSA-N 447.297 5.080 0 40 IKAB CC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 95945267 YWXKHYAWRJDBIN-RUZDIDTESA-N 439.946 6.561 0 40 IKAB COCc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3C)CC2)cc1 100739076 QAEGJXSBMZTPCO-GRGXKFILSA-N 444.579 5.006 0 40 IKAB Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 101253867 SEPGHCCRPAHPBO-VABKMULXSA-N 432.907 5.008 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)c2)cc1 102641600 YBSMFSGQGIUPNU-ZCVTWQBDSA-N 431.532 5.129 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3C)c(OCC)c2)cc1 107869402 QYYRTLZJPUBQQS-UHFFFAOYSA-N 448.563 5.730 0 40 IKAB CCO[C@]1(C)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118930811 FJYXPDKTLJKYNH-HBGVRCORSA-N 428.745 8.823 0 40 IKAB COC1(OC)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 118931353 GAQBBTSXSYYOIK-GPCCTGQVSA-N 432.733 8.097 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 222600220 GGPAICZCBMEQKF-CWVNLOTRSA-N 429.376 5.768 0 40 IKAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)CSCc1ccc(Cl)cc1F 222761199 NOSCTYWXEHBWJO-UHFFFAOYSA-N 440.327 5.074 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222894135 OZPLLYUCIJVSPY-PMACEKPBSA-N 432.376 6.031 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223054487 BJJKUUCYNYDMFF-RUZDIDTESA-N 448.994 5.396 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C 223104559 XNOPRCVVTSFJAZ-LLVKDONJSA-N 431.717 5.095 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223422810 VZHKWJRRSPNAQJ-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223430184 PLNFZZGXCDZPMD-LOSJGSFVSA-N 440.572 5.054 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 223738368 ZKSKEMYSCYTPFU-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223774886 RFNKLZXGZNTELG-ZEQRLZLVSA-N 445.519 5.666 0 40 IKAB Cc1cccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)c1 223792974 CYFIHRSFFYBKSK-GOSISDBHSA-N 445.028 5.217 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 223954231 ZCQBXJXPZYSDMP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 224080130 YYKPFXVVJGBYNT-UHFFFAOYSA-N 440.540 5.022 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1 224275331 FFEZBYPSXBESLR-FTJBHMTQSA-N 438.600 5.975 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 224438177 JGBZDDQJHOAACP-NRFANRHFSA-N 435.395 5.096 0 40 IKAB CCOc1ccc(C(=O)N2CCC(C)CC2)cc1COc1ccc(-c2ccccc2)cc1 224557733 BPMQLERCRJIDLI-UHFFFAOYSA-N 429.560 6.203 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 224838269 IDAYEPOCBZOAKX-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)cc1OC 225344571 LZWILNJFAMLYBZ-UHFFFAOYSA-N 431.410 5.230 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225526131 REOYGZIGDGNMKI-HTAPYJJXSA-N 432.967 5.052 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@@H](c3ncc(Cc4ccccc4)o3)C2)ccn1 257219681 DHQRBIFHFLXCGJ-HXUWFJFHSA-N 444.560 5.112 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257278332 OBVPUFONIFSLMS-HSZRJFAPSA-N 431.565 5.020 0 40 IKAB O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)O2 257304204 SKMKNIKEPBEHIZ-HHHXNRCGSA-N 444.506 5.514 0 40 IKAB CCCCOc1ccc(C(=O)/N=c2\sc(CC)c(-c3ccc(F)cc3)n2CC)cc1 408562473 PWOIEFNXSQLHKU-LCUIJRPUSA-N 426.557 5.858 0 40 IKAB COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1c(Cl)cccc1Cl 408576732 QRSUNDKLCSJMJE-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(C)cccc2CC)cc1 408677906 SFYFWIACFRDCDB-UHFFFAOYSA-N 426.516 5.697 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2cccc(C)c2)cc1 408694650 LIKPRVDCDHKFIQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccc(OC(=O)c2ccccc2)cc1 408765786 ZUOLIGOFXKYFMV-MOSHPQCFSA-N 448.272 5.013 0 40 IKAB COc1cccc(NC(=O)c2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)c1 408977404 ISBBALPOIBEYSI-UHFFFAOYSA-N 433.471 5.015 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C1=O 409104085 DIFPTIPXCLSJIX-GMROUXNLSA-N 439.967 5.151 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409115765 HCRBUFRYRAEUMS-RZVVXSKCSA-N 444.578 7.389 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409173581 MBODTVREFQTRGM-HNJSHPOXSA-N 438.571 6.552 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 409182091 IQMROSRMASKOOK-UHFFFAOYSA-N 433.463 5.434 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccc(Br)c(Cl)c1 409257434 OQZUTWAGYJDWTI-UHFFFAOYSA-N 449.595 5.737 0 40 IKAB CCOc1cc(CNc2ccccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409259255 YGDQBTBNNOVPPE-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(Cl)cc3)cc2)cc1 409363375 VRYKSUSJFUMQPD-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB Cc1ccccc1OCC(=O)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643569679 QAPONQCHHVECCI-UHFFFAOYSA-N 448.607 5.500 0 40 IKAB Cc1cc(CNC(=O)c2nc(C)c(C)nc2O)ccc1Oc1ccc(Cl)cc1Cl 1292384833 YJUQZHQDIBHAJD-UHFFFAOYSA-N 432.307 5.137 0 40 IKAB COc1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1OC 674234 NVVYBPFCKASRPT-UHFFFAOYSA-N 446.934 5.545 0 40 IKAB CC1(C)Oc2ccc(C(=O)NC3CCCCC3)cc2N(Cc2c(F)cccc2Cl)C1=O 1342345 IWHOAFVOMHVWAS-UHFFFAOYSA-N 444.934 5.246 0 40 IKAB CCOc1ccc([C@@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 1448760 JWLKURGCMIHCEW-QFIPXVFZSA-N 440.565 5.031 0 40 IKAB CCCN(CCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)c(Cl)ccc12 1594231 SSBVKHJVSWKOSS-QHCPKHFHSA-N 431.407 6.672 0 40 IKAB COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc2c1CC[C@@H](C(C)(C)C)C2 1916565 DHQCELYZIASGJJ-MRXNPFEDSA-N 429.582 5.320 0 40 IKAB O=c1oc2cc3oc(-c4ccccc4)c(-c4ccc(Cl)cc4)c3cc2c2c1CCCC2 2206608 SGIBHUBUCNFINQ-UHFFFAOYSA-N 426.899 7.405 0 40 IKAB Cc1ccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 2238839 LQHURLVFAYHURA-UHFFFAOYSA-N 432.951 6.275 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5cc6ccccc6cc5O)nc4c23)C1 2380500 HKMHFBUNLDMBKS-MRXNPFEDSA-N 428.561 6.016 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)c(F)c3)nnc2-c2ccccc2)cc1 2450119 QZJJRHGXSJBWCY-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(C)c(C)c3)c2C)cc1C 2733269 XEWMPTZAKXCAHE-UHFFFAOYSA-N 448.532 7.826 0 40 IKAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(I)cc2)cc1 2746619 FNYNCRNORALMLU-HXUWFJFHSA-N 440.284 5.371 0 40 IKAB CCOc1ccccc1CN(CCc1ccc2c(c1)OCO2)Cc1cccc2ccccc12 2768371 CZQIHYHPNTUNNC-UHFFFAOYSA-N 439.555 6.212 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1C 2950808 MOWKSQWUURKNIR-UHFFFAOYSA-N 426.545 5.553 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 3011657 SVOLYYCMEMBNTQ-UYAOXDASSA-N 444.457 5.421 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)n1cc(-c2ncc(C(F)(F)F)cc2Cl)cn1 3133255 MRBXBBQZISFQGP-UHFFFAOYSA-N 434.727 5.716 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@H]12 3190462 NXEUDPLQPFWHHL-NFJKTXFASA-N 434.322 5.564 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)Nc3cc4c(cc3C(C)=O)OCO4)c3ccccc3n2)cc1 3334236 YWLCAEAEPKRPIF-UHFFFAOYSA-N 440.455 5.094 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1ccc(Oc2ccccc2)cc1 3338310 SVCHSAVUWINTEW-KRWDZBQOSA-N 430.533 5.394 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccccc1)Cc1ccccc1 3341667 MRFAHUNOHICSKC-UHFFFAOYSA-N 433.508 5.197 0 40 IKAB CCCCOc1ccc(C(=O)N/C(=C/C=C/c2ccccc2)C(=O)Nc2ccccc2)cc1 3765119 SRRPVVFWUBZNCB-ZJPLNPDKSA-N 440.543 5.831 0 40 IKAB CCCCc1c(Cc2[nH]c(C(=O)OCC)c(C)c2CCCC)[nH]c(C(=O)OCC)c1C 4026559 GQRFRQRLSWCWCV-UHFFFAOYSA-N 430.589 5.589 0 40 IKAB biogenic CC(C)[C@@H]1CC[C@@H](C)c2c(-c3cccc4ccccc34)nn(C(=O)/C=C/c3ccccc3)c21 8442249 HDZWLZAXCRWLFQ-YFDLUXDKSA-N 434.583 7.694 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)sc2c1CCCC2 8592922 JIWWXRWEKYYNPH-UHFFFAOYSA-N 430.913 5.364 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)N[C@H](C)Cc4c[nH]c5ccccc45)c(C)c3cc12 8765208 YCRHJSMMXCBOEV-MRXNPFEDSA-N 442.515 5.317 0 40 IKAB biogenic CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@@H](O)[C@@H]2[C@@H]1c1ccccc1OC 8837858 ASEVQPKUGBNXIJ-MVNQZMKCSA-N 448.607 6.233 0 40 IKAB CCc1sc(-c2nnc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)o2)cc1C 8855614 TVCDWPGLDFITJF-UHFFFAOYSA-N 439.368 5.046 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 8922518 GGLNYSPAGMWLQF-PMERELPUSA-N 447.534 5.669 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(C(C)C)cc2)N(c2ccc(F)cc2)C3=O)cc1 8987783 MWGXYWRSIGPNMJ-SANMLTNESA-N 425.507 6.397 0 40 IKAB Clc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 9019500 TXLRDAOZHUHAPL-MFXVKMIXSA-N 428.963 6.938 0 40 IKAB COc1ccccc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9125264 SDQBPWDRCKYBBM-QGZVFWFLSA-N 442.544 5.334 0 40 IKAB Cc1cccc(C)c1-n1nnnc1C1(N(N=O)c2cccc(C(F)(F)F)c2)CCCCC1 9183447 XRFHDNKHQQVODS-UHFFFAOYSA-N 444.461 5.645 0 40 IKAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccc(F)cc4)nc3c2)c1C 9192339 YRUNKAUDIDSPGY-UHFFFAOYSA-N 449.507 5.143 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)n(C)c2ccccc12 9355481 IGSWLYDHXHOTNU-IIMAJNMQSA-N 442.562 7.152 0 40 IKAB C[C@@H](c1nnc(SCc2cc3ccccc3nc2Cl)n1-c1ccc(F)cc1)N(C)C 9377654 GVYILOQUJFWCPM-AWEZNQCLSA-N 441.963 5.523 0 40 IKAB COc1ccc(Oc2c[nH]nc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 9409613 GJXGNEAITVAKAD-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccccc2C(=O)Nc2cccc(C(=O)O)c2)cc1 9678933 DOUQRAZQULJOIK-QGZVFWFLSA-N 446.503 5.168 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccc5ccccc5c4)cc3)C2=O)c1 9850140 SKQXBFRSXCAINV-WPWMEQJKSA-N 448.522 5.820 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(OC(C)C)c3)cc2C)cc1 10365203 XFGRVEZGOMLQRR-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1ccc(C)c(OCCCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667336 NRFUNDHFFCNKGP-FQEVSTJZSA-N 431.536 5.596 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)N(C)C(=O)CO4)c(C)s2)CC1 11904290 SJOJUOIHAMYIQT-UHFFFAOYSA-N 441.597 5.409 0 40 IKAB C[C@H](OC(=O)Cc1coc2cc3c(cc12)CCC3)C(=O)Nc1cc(Cl)ccc1Cl 12596076 GAGVHDJSHCKWMW-LBPRGKRZSA-N 432.303 5.341 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)Nc1cc(C(F)(F)F)ccc1Cl 12680473 MXSBUEBWWISVAG-UHFFFAOYSA-N 431.798 5.279 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC[C@H](c1ccccc1Cl)N1CCCC1 12804003 PKMUMOADCWJIKO-OAQYLSRUSA-N 441.934 5.020 0 40 IKAB CCc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878207 MAWFGVZGQPQKCI-UHFFFAOYSA-N 426.973 5.380 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 12930570 LUOHLOWNFUDCTP-HNNXBMFYSA-N 437.544 5.666 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccc(Br)cc1 13005741 YTGJHYLFIXPWNT-UHFFFAOYSA-N 445.748 5.340 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)c1ccc(OC(F)F)cc1)CC2 13041214 XNAUXACLPKOTCF-QHCPKHFHSA-N 439.458 5.093 0 40 IKAB C[C@@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@H](C)Cc1ccccc1 13562360 AVBUWOHKTKLQNV-PSWAGMNNSA-N 436.640 5.602 0 40 IKAB COc1ccc2c(c1)c(-c1csc(NC(=O)Cc3c[nH]c4ccccc34)n1)c(C)n2C 13571402 NSMQCLOEIYFOMT-UHFFFAOYSA-N 430.533 5.281 0 40 IKAB Cc1cc(OCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)ccc1Br 13608183 FQODGPOGAWRALP-UHFFFAOYSA-N 429.192 5.285 0 40 IKAB CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 13618663 VYCBEKSJSQZUQL-QPLCGJKRSA-N 431.561 6.403 0 40 IKAB Fc1ccccc1-c1cc(-c2ccccc2F)n(-c2nc(-c3ccc(Cl)cc3)cs2)n1 13960713 PELWMOHSMLRTPJ-UHFFFAOYSA-N 449.913 7.261 0 40 IKAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 16214694 YZCXKRJLQDZCNK-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB O=C(CSc1nc2c(c(-c3ccc(Cl)cc3)n1)CCCC2)Nc1ccc(F)cc1 16429371 YLNNKHWSSSUOTD-UHFFFAOYSA-N 427.932 5.546 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(Cl)c1)c1cccc(OCc2ccccc2)c1 17097392 UDHHXBPQILPVHC-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB Cc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 19234963 HIXPCWQFYIIFFW-LEAFIULHSA-N 427.592 5.092 0 40 IKAB Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 19290449 SJVXRBDLXUORKH-UQBPGWFLSA-N 444.604 5.018 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)Cc3cc(C)ccc3OC)c2)cc1 19690666 UTGCRCYSGXOTTR-RUZDIDTESA-N 430.548 5.289 0 40 IKAB CC(C)CCNc1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20083785 GTGTYEDQRMXJPA-UHFFFAOYSA-N 425.602 5.149 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCCC3=CCCCC3)c2)cc1 20452186 PHZVNOHKQSUJEO-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@H](c1ccc(C(C)C)cc1)C2 20634881 FDQOKZACZUFQCT-HXUWFJFHSA-N 437.547 5.816 0 40 IKAB COc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 20970409 GCONFLOQGLHSPI-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(F)c1)c1cc(Cl)ccc1Cl 21577186 QYJBSTOBCWGUCM-UHFFFAOYSA-N 426.344 5.250 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1 25900081 BFXYSUVVUGHRGQ-BVAGGSTKSA-N 428.557 5.186 0 40 IKAB C[C@@H](NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 28539284 XZHJBLCQKAQREB-HXUWFJFHSA-N 429.523 6.455 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(CN2CCc3ccccc32)cc1 30867675 JZXCBYQRQYZNGZ-UHFFFAOYSA-N 437.008 5.566 0 40 IKAB O=C(Nc1ccc(Br)cc1F)[C@H]1CCCN(Cc2ccccc2Cl)C1 30938511 FOIGEMQGQLXXIU-AWEZNQCLSA-N 425.729 5.092 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c(Cl)c1 32114936 UMSXHUQKEQTAMG-UHFFFAOYSA-N 433.241 6.641 0 40 IKAB CSCC[C@@H](NC(=O)/C=C\c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 33916947 PNHJBKYKRCQHBJ-NSNCMOJPSA-N 441.600 5.708 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(-c4ccc(CO)o4)c3)o2)cc1C 34760713 DAKBLECSMRMCLX-UHFFFAOYSA-N 446.528 5.443 0 40 IKAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)Sc1nnc(NCCc2cccs2)s1 40018236 ODHGDUITCQUVKA-GFCCVEGCSA-N 439.031 5.335 0 40 IKAB CCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@@H]1c1ccccc1C 58268794 UNMZXDOLXQFFLI-AREMUKBSSA-N 433.555 6.606 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccc(Cl)c(Cl)c3)sc2c1)c1ccccc1 59041323 FQEKPJDQSSAWAI-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB O=C(NC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)C1(c2ccc(Cl)cc2)CC1 59886282 GVHQGCARHUWUJE-UHFFFAOYSA-N 436.905 5.171 0 40 IKAB CC(C)c1nnc2c(SCC(=O)Nc3cccc(C(F)(F)F)c3)nc3ccccc3n12 64949212 ONXCJXVOIHJPSV-UHFFFAOYSA-N 445.470 5.151 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccc(Cl)cc1 67259584 UUJWRHGSLVALLX-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB Cc1c(-c2nc(-c3ccc(Cl)cc3)no2)sc2ncn(Cc3ccccc3)c(=O)c12 67260320 HEHRMLHKYCUZST-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1ccc2cccc(OC)c2n1 72370374 JLHIVEAWVNSLLS-LJQANCHMSA-N 445.588 5.025 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@H]2CCCCN2C(=O)CC2CCCC2)n1 72377084 MFBMJNZLKHIQAE-LJQANCHMSA-N 432.490 5.379 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 100740226 FFZPKBOIZNYVTR-KCVHQNEMSA-N 426.601 5.920 0 40 IKAB C[C@H](CCC1=NC(C)(C)CO1)[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 118934409 BVDWBDNAWXKGOG-YXBYWYESSA-N 445.688 5.601 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCCN3C(=O)c4cccc5cccc3c45)ccc21 219464941 DLSCJYDRJFJCNF-UHFFFAOYSA-N 447.538 6.347 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 222955083 ISKNCLMOKHKGDL-RDPSFJRHSA-N 430.548 5.591 0 40 IKAB COc1ccc(CN(C(=O)CCc2ccccc2)[C@@H](C)C(=O)NCCC2=CCCCC2)cc1 222991569 IMDYZZQDFOQUBQ-QFIPXVFZSA-N 448.607 5.052 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)s2)cc1 223298901 FKDIXXWQRWTUMP-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB COC(=O)c1ccc(N[C@@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223415091 UYQHJDLQVFVLGA-HNNXBMFYSA-N 444.940 5.101 0 40 IKAB C[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 223839963 ZSGUWYRTYZOAFX-JMMZKRSASA-N 439.964 5.162 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)c1 223947990 OGOLDRYWMPMDNJ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1cccc(Cl)c1 224145343 SHLVBMIZJFUEAR-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224408594 XXIDQGGIVOFPPH-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 224423309 JZARRFWRNDQYRJ-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 224677793 KOCSRUZWJSFBOV-RJDQKLELSA-N 430.548 5.534 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 225516333 UXPQZZLVGSBGQG-QPPBQGQZSA-N 440.653 5.340 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@@H](C)C1 225664422 JRHCBICLQWPNQT-ATIYNZHBSA-N 430.633 5.646 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@@H](C)C[C@@H](C)C2)cc1 225749970 DNRPOXFTSCKQJT-VRUMLPLGSA-N 432.649 5.747 0 40 IKAB O=C(N1CCC[C@H](Cc2ccc3ccncc3c2)CC1)C1(c2ccccc2)CCOCC1 257261957 LJLLNGYJURBXGW-QFIPXVFZSA-N 428.576 5.154 0 40 IKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(OC)c(OC)c1 408826178 BSFNZICSDXFDHT-UHFFFAOYSA-N 440.609 5.935 0 40 IKAB CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1cccc(C)c1 408842938 KNLKHNDCSGNBRF-PXLXIMEGSA-N 441.483 5.152 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3Br)CC2)cc1 409050980 FVDVTFRFMLYYLX-UHFFFAOYSA-N 443.385 5.238 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c(C)c1 409110888 AQZTVTKSYPYSMN-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB O=C(COc1cccc(Cl)c1)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100322 CHRJFGUBEFMANW-DEOSSOPVSA-N 448.941 5.044 0 40 IKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccccc3)CC2)C1 643588711 IMBVAJIWSAWRLB-UHFFFAOYSA-N 448.651 5.817 0 40 IKAB Clc1nc(-c2cccc(-c3ccccc3)c2)nc(-c2ccc3c(c2)oc2ccccc23)n1 2171432763 CZSODWPPUNEAFY-UHFFFAOYSA-N 433.898 7.425 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3C)cc2c1 1359646 HOEHTLREXDHBLK-UHFFFAOYSA-N 428.507 5.435 0 40 IKAB Cc1ccc(NC[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)cc1Cl 1774333 DYFNXBOWOPNPLG-QGZVFWFLSA-N 433.766 6.536 0 40 IKAB CCCOC(=O)[C@@H](CC)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775159 VQRSPSZUSHSPMN-LJQANCHMSA-N 444.911 5.966 0 40 IKAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1 1790948 TZHURQLFSOQNDM-NTCAYCPXSA-N 435.907 5.423 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc(C)c5ccccc45)ccc3Cl)nc2c1 2050828 AYNZMPSCCWTIPE-UHFFFAOYSA-N 440.930 7.479 0 40 IKAB Cc1ccc2c(c1)N(C(=O)COc1ccccc1Cl)C(C)(C)c1ssc(=S)c1-2 2065960 FKVAMRVORSJXAY-UHFFFAOYSA-N 448.034 6.829 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 2239393 VMPKPNPELNEANK-KPKJPENVSA-N 429.973 5.338 0 40 IKAB CCCc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2296490 FYHXZHMXYFKDEV-UHFFFAOYSA-N 449.645 6.378 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O 2407901 BGJNBFGUMUSOBB-FQEVSTJZSA-N 449.507 5.040 0 40 IKAB CN(C(=O)OCC1c2ccccc2-c2ccccc21)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2583096 IYEODAZATZJQGN-VWLOTQADSA-N 440.499 5.045 0 40 IKAB COc1ccc([C@@H]2NC(=O)c3cc(C(C)C)sc3N2)cc1COc1ccc(F)cc1F 2738006 QAPUBNJISKHUPG-OAQYLSRUSA-N 444.503 5.591 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccn(C(=O)c2ccc(Cl)cc2Cl)n1 2748148 JCYHNJDFFZVQLK-UHFFFAOYSA-N 429.090 5.438 0 40 IKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)cc1 3289773 QNKIRYHVEPNEJA-UHFFFAOYSA-N 438.940 5.390 0 40 IKAB CC(C)(C)c1ccc(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccc(Cl)cc2Cl)cc1 4118530 WHORTNKROLTZLD-XMMPIXPASA-N 441.377 7.786 0 40 IKAB C[C@H]1CCC[C@H](C)N1CCCNC(=O)c1cc2sccc2n1Cc1ccc(F)cc1 4971403 FMOSXWGMOAQLCW-ROUUACIJSA-N 427.589 5.273 0 40 IKAB O=c1cnnc(NC2CCCCCCCCCCC2)n1C1CCCCCCCCCCC1 5010965 XXVBJZKJQVHTLI-UHFFFAOYSA-N 444.708 7.569 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 8454596 UWBNKHFUTGXBLH-UHFFFAOYSA-N 431.001 6.060 0 40 IKAB Cc1cccc(C)c1NC(=O)CNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 8882321 UTSJNRHSIXUYOX-UHFFFAOYSA-N 438.980 5.618 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 9192634 ZVXGLHXNWSMCBW-UHFFFAOYSA-N 435.955 5.194 0 40 IKAB C[C@@H](Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1ccccc1)c1ccccc1 9382823 VISAKHYIVPEDRQ-QGZVFWFLSA-N 444.585 5.545 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)c1cccc(C)c1C 9461109 FHSFYTQVSBLKFH-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCCC3)cc2c1 9462765 OEZFIRSMYOPKGW-UHFFFAOYSA-N 430.592 6.109 0 40 IKAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2Cc2ccccc2)cc1 9498523 KDVMVJJCJSLFCV-QGZVFWFLSA-N 433.533 5.267 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)Cc1ccc(SCC)cc1 9596767 LUUFOGHNFAVYKC-UHFFFAOYSA-N 425.575 5.885 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1 9971326 UIILXEDQKHSJDS-HRCADAONSA-N 449.378 5.803 0 40 IKAB CCN(C(=O)c1cc2cccnc2n(Cc2ccc(Cl)cc2)c1=O)c1ccccc1C 10188190 WXMRTLFEUUXYTH-UHFFFAOYSA-N 431.923 5.073 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1c2ccccc2Sc2ccc(Cl)cc21 12030028 ZVCVTPLRLHJYMJ-UHFFFAOYSA-N 427.956 7.301 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3C(=O)c3nccc4ccccc34)on2)cc1 12154144 IAVNIKKSJIQMSX-HSZRJFAPSA-N 427.504 5.656 0 40 IKAB CC(C)c1noc([C@@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)n1 12528112 KRKIDZCSAUSOJK-OAHLLOKOSA-N 439.972 5.871 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc(=O)n(-c2ccccc2)/c(=N/c2ccccc2)s1 12628584 YSPIIHNNEVJRPQ-RWEWTDSWSA-N 433.920 5.037 0 40 IKAB C[C@@H](NC(=S)N=[P@@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 12648319 OZNNEBVFCDKOKT-GDJIYFAZSA-N 429.570 5.195 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1ccc(OCc2ccccc2)cc1 13113052 ZMXULJXAAZBIEN-KRWDZBQOSA-N 430.533 5.170 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 13372387 FDCXQFYMIDXXNH-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 13708410 KAHGIYPWUQAITC-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1 13960480 NOFUZRSIWQTZTN-UHFFFAOYSA-N 438.449 6.301 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)CCC(=O)c3ccc4c(c3)CCC4)cc2)cc1 14121348 PLUIZWMURBOFMS-UHFFFAOYSA-N 442.515 5.038 0 40 IKAB COc1cc(/C=C/c2ccc3cccc(OC(C)=O)c3n2)ccc1OCc1ccccc1 15016696 MXQFJYYTFWOMEO-SDNWHVSQSA-N 425.484 5.918 0 40 IKAB C[C@H](NCc1c(OCc2ccc(F)cc2)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 16576105 AMAODTFJDJIGFK-JXBUFBJBSA-N 443.606 7.252 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3cc(C)ccc3C(C)C)cc2s1 17094532 DKDRRRLRIKAAHD-UHFFFAOYSA-N 425.554 5.484 0 40 IKAB Cc1cccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1C 17097052 PMGQBYYRTPXISD-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)c1 17097554 SIOBQTWEZZRPRN-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB O=C(Nc1ccc(Br)c(Br)c1)c1ccccc1Br 17098671 DAIVJSWVYMHSDE-UHFFFAOYSA-N 433.925 5.226 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 19236859 BDULMTXJSHMADV-RUZDIDTESA-N 435.518 5.052 0 40 IKAB CC1(C)Cc2c(sc3ncn4nc(-c5ccc(Cl)cc5Cl)nc4c23)C(C)(C)N1 19593634 XLPAFUDGEJGUMV-UHFFFAOYSA-N 432.380 5.472 0 40 IKAB CC(C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)(c1ccccc1)c1ccccc1 19644615 CQKGSCQPZIQNQP-UHFFFAOYSA-N 446.506 5.432 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 19646381 ZIAWMVFGQJEOJF-UHFFFAOYSA-N 447.585 5.721 0 40 IKAB CCCCN(CC)C(=O)/C(=C/c1ccc(OCc2ccccc2)cc1)n1ccccc1=O 20169291 RDBIZSXCCZQCPI-QQTULTPQSA-N 430.548 5.074 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 20451687 JHYDFXSHWLCPLT-CCLHPLFOSA-N 444.600 5.569 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 20494849 IVHJEULMHYJXQN-DEOSSOPVSA-N 431.919 7.082 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cccnc3SCC(F)(F)F)sc2C)cc1 22884300 MJTKXJOWZGXQQI-UHFFFAOYSA-N 439.484 5.429 0 40 IKAB COC(=O)c1ccc(-c2ccc(C[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)cc1 32099493 FQLUGRFPHSTEQB-FQEVSTJZSA-N 436.895 5.276 0 40 IKAB O=C(Nc1ccc(I)cc1)/C(=C/c1ccccc1)c1ccccc1 34107124 HOEMHNOZDWQWTF-HMMYKYKNSA-N 425.269 5.471 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@H]4CC(c5ccc(F)cc5)=NO4)cc3)sc2c1 36611877 OXUCCEUBUZOZPA-OAQYLSRUSA-N 431.492 5.543 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44917196 XQCKWZIHBHTPKB-UHFFFAOYSA-N 447.406 6.166 0 40 IKAB COc1ccc(N(Cc2nc(-c3ccccc3)oc2C)S(=O)(=O)c2cccs2)cc1 48989727 KMASZEGSELIWRA-UHFFFAOYSA-N 440.546 5.116 0 40 IKAB CC(C)C[C@H](C)N(C(=O)COc1cccc(NC(=O)C2CC2)c1)c1ccc2[nH]ccc2c1 58266399 BZKRMXLSTVUEAG-SFHVURJKSA-N 433.552 5.363 0 40 IKAB Cc1c(NCc2ncc(-c3ccc(Cl)cc3)o2)cccc1C(=O)N1CCSCC1 58414841 WUNNWZAJQUJDLL-UHFFFAOYSA-N 427.957 5.105 0 40 IKAB Cc1cccc(-c2noc(-c3sc4ncn(Cc5cc(C)ccc5C)c(=O)c4c3C)n2)c1 67260275 SNXKIAMWVZIHTE-UHFFFAOYSA-N 442.544 5.457 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](c2ccccc2)c2cccs2)cs1 69442414 WBOAPOOKBBZRDH-QHCPKHFHSA-N 434.586 5.719 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214673 NLKSCUZZKRUJNM-NRFANRHFSA-N 439.556 5.707 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)CCCc3ccc(F)cc3)n2)n1 72375643 LDJPHIWNKPXQDI-QFIPXVFZSA-N 433.531 5.058 0 40 IKAB CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 100152712 PINXLDWUMIWHGJ-QHAWAJNXSA-N 436.600 5.011 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2Cl)c1 101059293 VXLWIXBFNLKZLX-UHFFFAOYSA-N 442.740 6.203 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C[C@@H](c2cccc(Cl)c2)C1 102602881 SYBSIRDXDUIKFS-OSPHWJPCSA-N 426.907 6.150 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCCC1 107778189 IMIAVBHRFGJRLY-CYBMUJFWSA-N 427.759 6.043 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)ccc2OC)cc1 224265742 NXFKODIBSCUJDM-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224515953 RLTXZTPENBIITP-NRFANRHFSA-N 435.395 5.096 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224540712 ICVRSODRUVOLGN-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(OC)c1 224594506 QKISJRBKXCHHNH-QGZVFWFLSA-N 439.939 5.817 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 224653939 PKVVORMPGOXTSB-RUZDIDTESA-N 438.612 5.042 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225339580 DLBCRLUOYQUSSV-UHFFFAOYSA-N 428.517 5.012 0 40 IKAB CSc1ccc(S(=O)(=O)NCCCc2ccc(C(C)C)cc2)cc1NC(=O)C(C)C 225455197 HJRHMEYOBHEQFM-UHFFFAOYSA-N 448.654 5.038 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225749232 MDARGYDNJSGPDS-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 245232265 SDYDJBWUOMWXJC-XDTLVQLUSA-N 435.277 5.379 0 40 IKAB Cc1cccc(C)c1OCC(=O)N1CCC[C@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257242543 IDARNUORXGDDOR-QHCPKHFHSA-N 448.994 5.728 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccccc1C 408559048 VEXPXPWHDJOEGJ-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB CCn1c(Cc2cccc3ccccc23)nnc1SCC(=O)N[C@@H](C)c1ccccc1 408560821 PIDBQIVEEQBXHR-SFHVURJKSA-N 430.577 5.012 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)c(Cl)c4)c3)C(=O)[C@H]2C1 408684857 PNOOMPVJQKLQMO-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB CC(C)c1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(C(C)C)c1O 408866252 GPZURATYEXDGRO-JAIQZWGSSA-N 429.969 6.529 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Cl)c1OS(=O)(=O)c1ccc(C)cc1 409110169 SVSUYFDCAWJDHS-UHFFFAOYSA-N 431.941 5.345 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)cc(Cl)c1OCC(=O)Nc1ccccc1 409265085 SENWHNLUVXCYHL-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C(CCCc1c[nH]c2ccccc12)N1CCC[C@@]2(CCCN2Cc2ccc(F)cc2)CC1 585100388 LETASVTYCGFFBU-MUUNZHRXSA-N 447.598 5.677 0 40 IKAB C[C@H](c1ccccc1P(C1CCCCC1)C1CCCCC1)N(C)[S@](=O)C(C)(C)C 1857794985 DBEGJDQBKCWIDZ-ACSYHNTCSA-N 435.658 6.914 0 40 IKAB C[C@@H](NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 646607 BBLCAZMDHUTLJL-CYBMUJFWSA-N 435.446 5.271 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)NCc4ccccc4)c(Cl)c3N2)cc1 674378 BTCGYLHYQQRGFT-IRXDYDNUSA-N 448.876 5.435 0 40 IKAB O=C(Nc1cccc(I)c1)c1sc2cccc(Cl)c2c1Cl 863030 WZBIZGNLBVGTJF-UHFFFAOYSA-N 448.112 6.065 0 40 IKAB Cc1nnc(SCC(=O)N(c2ccccc2)c2ccccc2)n1CCc1ccccc1 923693 RSHOFCYVSXESAA-UHFFFAOYSA-N 428.561 5.286 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c(OC)c1 959580 MMPULLFYBTZRRN-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB Cc1ccc(-n2c(CCn3cnc(-c4ccccc4)c3-c3ccccc3)n[nH]c2=S)cc1 984804 JEJPUUMSGYHSLO-UHFFFAOYSA-N 437.572 6.012 0 40 IKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1cccc(C(F)(F)F)c1 1386112 KOWJJSCOXXAIDZ-UHFFFAOYSA-N 438.236 5.766 0 40 IKAB Cc1ccc(C)c(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1900143 DIABFGPHYILLDG-UHFFFAOYSA-N 432.951 6.193 0 40 IKAB COc1ccc(CN(CC[C@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1OC 2101384 JZTSCFGXWALULC-HSZRJFAPSA-N 447.531 5.003 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(C(F)(F)F)cc3)cc12 2337883 PAYNBGRGJAUDBJ-UHFFFAOYSA-N 440.417 6.874 0 40 IKAB biogenic Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nc3c(c2=O)SCC3)cc1 2719808 IICXQTSKSUDXSG-UHFFFAOYSA-N 435.401 5.788 0 40 IKAB O=C(N[C@H](C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1F 3146997 FCJGZSWHPVMAOC-SANMLTNESA-N 438.502 5.203 0 40 IKAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 3282394 ANAAYYWISYASSG-MKMNVTDBSA-N 428.513 5.710 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1F 3417301 RUJLCNAJFLYACI-UHFFFAOYSA-N 447.539 5.323 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 4385052 BIORRPLBPMLISH-NRFANRHFSA-N 425.532 5.198 0 40 IKAB CCCCc1nc2sc3c(NC[C@H]4CCCO4)ncnc3c2c2c1COC(C)(C)C2 4825550 XRQCSWFGFUTJBS-CQSZACIVSA-N 426.586 5.024 0 40 IKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 5091953 WOSIRNLEJAAQTM-OAQYLSRUSA-N 425.960 5.093 0 40 IKAB O=C1c2cc3c(cc2[C@H]2C[C@@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 8382456 DSTSQAROMMWVIN-PWWKTKHKSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8740563 BAZPTYJTVHVOCZ-SFHVURJKSA-N 437.414 7.742 0 40 IKAB O[C@@]1(C(F)(F)F)CC(c2cccs2)=NN1c1nc(-c2ccc(Cl)cc2)cs1 8752152 QGEUNSLTLVSASJ-MRXNPFEDSA-N 429.876 5.390 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c(C)c1 8753218 DPUIWFYALSEHFM-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB O=C(C[C@@H](Nc1ccc2c(c1)C(=O)c1ccccc1-2)c1ccccc1)c1ccc(Cl)cc1 8773286 OIJFWJJREGHXNP-AREMUKBSSA-N 437.926 6.978 0 40 IKAB Clc1ccccc1C1=NN2[C@@H](C1)c1ccccc1OC21CCC(c2ccccc2)CC1 9019499 TXLRDAOZHUHAPL-DEQUOLNYSA-N 428.963 6.938 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccccc4Br)ccc3O)nc2c1 9135192 OEZDFAXBNVUDJT-UHFFFAOYSA-N 437.293 5.832 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2sc(C)c(C[C@@H](C)CC)c2c(=O)[nH]1 9589367 KSLBIVJHGNNINM-ZDUSSCGKSA-N 429.611 5.175 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CCc1ccc(-c2ccccc2F)o1 9748299 LCUWSSSVEKGOBI-UHFFFAOYSA-N 431.511 5.196 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl 9805308 BGKYQFMEDSMTTN-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB O=c1c2cc(Br)ccc2n(Cc2ccccc2Cl)c(=O)n1C1CCCCC1 9935549 JGLFGXVXJBGORP-UHFFFAOYSA-N 447.760 5.133 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2cccc(F)c2)c(=O)n1-c1cccc(Cl)c1 9959792 HQJQXIANXJTWDS-UHFFFAOYSA-N 436.895 5.208 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)/C=C/c3cccs3)nc12 10187676 MVZWVDIXUWFZST-DHZHZOJOSA-N 437.546 5.017 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCNC(=O)CCCC(=O)OC1CCC(C(C)(C)C)CC1 12372306 GXAINGZCCLEUJS-UHFFFAOYSA-N 444.591 5.593 0 40 IKAB COC(=O)c1ccc(OC)cc1Oc1ncnc2scc(-c3ccc(Cl)cc3)c12 12633354 FCIXGTPCRDQHFH-UHFFFAOYSA-N 426.881 5.599 0 40 IKAB CCC[C@@H](NC(=O)CSc1nnc(-c2ccccc2Br)o1)c1ccccc1 12820905 KMRJXAUNYVZARD-QGZVFWFLSA-N 446.370 5.249 0 40 IKAB COc1ccccc1NC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)C(C)(C)O2 12875633 SBAYRYHIPZKLAH-UHFFFAOYSA-N 444.531 5.269 0 40 IKAB CSc1nc(Oc2cc(Cl)c(Cl)cc2Cl)c2cnn(-c3ccccc3)c2n1 12953181 SYUPGBVHZYNVIA-UHFFFAOYSA-N 437.739 6.290 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 13750716 VFLVERBIEIQBPN-ACRUOGEOSA-N 439.298 5.045 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)NCc2ccc(OC)c(OC)c2)cc1 14185066 OALNZYYRLPNCTG-UHFFFAOYSA-N 444.531 5.110 0 40 IKAB COc1ccccc1OCC(=O)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 14822029 CVOLAUONYMEKOQ-IBGZPJMESA-N 434.923 5.157 0 40 IKAB CCc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc(-c2ccccc2)c1C 16157429 NBHJSNAAMRWEDK-UHFFFAOYSA-N 446.597 6.852 0 40 IKAB O=C(c1cccs1)N1CCC(CCCC2CCN(C(=O)c3cccs3)CC2)CC1 16430481 PJABILWIBUFAAM-UHFFFAOYSA-N 430.639 5.385 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 16610849 FZDDAWRPLVVRLY-CQSZACIVSA-N 439.342 7.567 0 40 IKAB CCCCCCNC(=S)Nc1ccc(NC(=S)NCCCCCC)c(Cl)c1 16638110 SPZXUTWPRBIAST-UHFFFAOYSA-N 429.099 6.073 0 40 IKAB C[C@H](NC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 16849206 GQWDBYZNCRKGPZ-AWEZNQCLSA-N 428.945 5.251 0 40 IKAB Cc1cccc(-c2nc(Nc3ccc(I)cc3)c3ccccc3n2)c1 16996279 WKFXTGPSJPMLJL-UHFFFAOYSA-N 437.284 5.953 0 40 IKAB Cc1cc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)ccc1Cl 17094603 LHMGEGUGHUSQJT-UHFFFAOYSA-N 425.695 6.337 0 40 IKAB Cc1ccc2c([C@H](O)CN3CCC4(CC3)C[C@H](O)c3ccc5ccccc5c3O4)c[nH]c2c1 19219729 ZWROJRGVUNUVNA-IZZNHLLZSA-N 442.559 5.014 0 40 IKAB O=c1c(-c2cccc(C(F)(F)F)c2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2cccs2)C1 20503177 YCJRWCVCNYXUPZ-DOTOQJQBSA-N 430.495 5.215 0 40 IKAB biogenic,in-vitro CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3n2)cc1 20610212 SGPOYJZOEKAYMG-UHFFFAOYSA-N 441.318 5.307 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 20717660 JSXCYMDYJRCKKR-UHFFFAOYSA-N 446.938 5.118 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 20797306 OADPSGRYRQBULV-QFIPXVFZSA-N 449.341 6.271 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2cc(-c3ccccc3)sc2c1=O 23127054 JFTVYABCNPZPFE-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)Cc3csc(-c4cccs4)n3)s2)cs1 24539173 HFLJXXLLBRTNBU-UHFFFAOYSA-N 431.633 5.266 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)n2)c(C)c1 27496133 DGYJNNWQJKPUER-UHFFFAOYSA-N 426.541 6.219 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 30848966 IOJFKVHZIFTNCK-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(N3CCc4ccccc43)cc2)no1 32933499 CSKUKXWCMPFRQL-UHFFFAOYSA-N 442.544 5.617 0 40 IKAB CCC[C@H](C)N[C@@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2)c1ccccc1 33784958 CCDWAUMLYUPPOD-HYFFOGBASA-N 442.625 5.508 0 40 IKAB COc1ccccc1CN1[C@H]2CCC[C@@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 35310884 IEPHGEUEKDHBEY-YQQQUEKLSA-N 447.501 5.421 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35646006 OUTNPUVGOKRQJM-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c1)c1ccco1 36395742 ZCYNHNLWKLQLHT-UHFFFAOYSA-N 449.466 6.106 0 40 IKAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1ccc(COc2ccc(Cl)cc2)cc1 36612030 PNEONXWSBNTUQP-UHFFFAOYSA-N 438.314 6.010 0 40 IKAB COC(=O)CC[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[C@@]21C 39419824 DVIUCIPCTDVQAP-VCRDOGAPSA-N 432.645 6.166 0 40 IKAB Cc1ccc(-c2cnc(SCc3ccccc3)n2-c2ccc(OC(F)(F)F)cc2)cc1 44088020 LIJSIOMFXCLQBP-UHFFFAOYSA-N 440.490 7.039 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 44886069 ZCONLVZOZGPANF-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB CC(C)c1nc2cc(NC(=O)C[C@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)ccc2o1 48301064 MWKKQNMUQHWMGH-QGZVFWFLSA-N 449.454 5.412 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cn(Cc2ccc(NC(=O)c3ccccc3F)cc2)cn1 49421851 PKMKITUOGQWUJD-UHFFFAOYSA-N 448.885 5.229 0 40 IKAB CCN(c1ccsc1C(=O)NC1CCCCCC1)S(=O)(=O)c1ccc(Cl)cc1 67245679 YQWMLEWPBZFMPN-UHFFFAOYSA-N 441.018 5.069 0 40 IKAB O=c1oc2ccc(Br)cc2c(-c2cnn(-c3ccccc3)c2)c1-c1ccccc1 68712467 IIKVJMCPTJGTTE-UHFFFAOYSA-N 443.300 6.075 0 40 IKAB C[C@H](c1ccccc1Cl)N(C)c1cnn(-c2ccc(C(F)(F)F)cn2)c(=O)c1Cl 72307681 UWEPVEKVGOFHDM-LLVKDONJSA-N 443.256 5.151 0 40 IKAB C[C@H](NC(=O)c1ccc(OCc2ccc(Cl)cc2)cc1)c1cccc(C(F)(F)F)c1 72427658 WZBIAAUHMSYMJG-HNNXBMFYSA-N 433.857 6.429 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 100961972 SBXXZWYDZDXGMP-NXCFDTQHSA-N 434.495 5.199 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(OC)c1 101035986 ZRVPLKLACAGKSC-IDVKNYFZSA-N 430.548 5.474 0 40 IKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(C(F)(F)F)cc2)CCC1 102597351 JABXHXFHQCVADO-SFHVURJKSA-N 425.410 5.811 0 40 IKAB C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@@H]1[C@H](c1ccccc1)C=C[C@@H]2c1ccccc1 102984523 IRKARXPTWCTTMK-XWDJFTLGSA-N 425.572 6.006 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3cccc(Cl)c3)cc2)S(C)(=O)=O)c1 222386104 ZNDDNWPDCMKMPD-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)n(-c2cccc(Cl)c2)c1C 222816604 DPGCGRNWULAMAX-DHIUTWEWSA-N 439.028 5.832 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223078166 JAGLHGYRXYMCKI-UHFFFAOYSA-N 446.978 6.310 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 223237013 VKZFGDJGCZXJGE-GOSISDBHSA-N 435.951 6.409 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccncc1 223511144 NUPPNEKTQYMSAG-GOTSBHOMSA-N 444.585 5.394 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(Cl)c1 224148160 ACCYTEWWBXNLTP-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1)c1ccccc1C 224181643 PVQOWVCWHDRXCG-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224215111 SSQDXXDNKKMDLD-RPWUZVMVSA-N 445.975 6.481 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Cl)cc1 224498553 HLPBDGMWSUUYKP-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccc(Cl)c(C)c1 224543902 RYFMUDSOSYVRMF-UHFFFAOYSA-N 431.866 6.157 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 224909001 RZGFLRMHPKPARA-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB Cc1ccc(CSc2nnc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)s2)cc1 224993473 CHYWRMHATGKWNM-UHFFFAOYSA-N 433.986 5.588 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225282304 FINRZTSKVIQPQR-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)N[C@H]1CC2(CCCCC2)Oc2ccccc21 225625869 UZUBODRGOWKJIW-FQEVSTJZSA-N 433.976 6.055 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253497852 QUYCEUJYTAJEMW-USQWZVPWSA-N 448.569 6.463 0 40 IKAB O=C1CCC[C@]2(CN(Cc3cccc(-c4ccccc4F)c3)C[C@H]2c2ccccc2F)N1 257295309 QXUZUYHECOKGAQ-WNCULLNHSA-N 432.514 5.270 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)c(C)c1 408699268 SMRWZDVRYUZTGT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 408702181 KVLIWWNKIFYNCA-UHFFFAOYSA-N 430.913 5.146 0 40 IKAB O=C(Nc1ccc(I)cc1)c1ccc(CSc2ccccc2)cc1 408786976 YXKSAQKUKKWFSG-UHFFFAOYSA-N 445.325 5.836 0 40 IKAB Cc1c(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c2ccccc2n1C 408810309 IPNKNKMUWUSJHP-JGHMOANSSA-N 444.624 6.541 0 40 IKAB CCOc1cc(Br)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OCC 408815022 RDVIFRUSESCFTP-WQRHYEAKSA-N 448.338 5.487 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@@H]3C2=O)cc1Cl 408918361 JOPPJWLZZFDWLB-NFJKTXFASA-N 434.322 5.396 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409002353 NIYZIUPQMMIRJQ-XDHUDOTRSA-N 430.504 5.866 0 40 IKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)c1 409121039 VPJLQMSJKNKYNV-UHFFFAOYSA-N 449.525 7.962 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(-c2ccc(C(=O)[C@@H]3CCC[C]3C(=O)O)cc2)cc1 1560410139 ZGVQZIQMWGMFBA-JOCHJYFZSA-N 427.480 5.639 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(C(F)(F)F)c12)CCCCCC3 664049 XYPYVZHEJDFEQU-UHFFFAOYSA-N 437.462 5.948 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccccc3)cc2c1 884578 AQZJHCGYUYXZOA-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB CC[C@H]1CCCCN1C(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1 890806 BPEOCIJSABZLBT-HNNXBMFYSA-N 427.467 5.185 0 40 IKAB Brc1ccc(CSc2ncnn2Cc2ccc(Br)cc2)cc1 939648 USYXCLZQGIOYBO-UHFFFAOYSA-N 439.176 5.144 0 40 IKAB O=C(CCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(F)c(Cl)c1 1218074 KIQBMERGARWITO-GDNBJRDFSA-N 440.974 5.161 0 40 IKAB COc1ccc(Nc2nc3nonc3nc2Nc2ccc(Oc3ccccc3)cc2)cc1 1276261 CAGUWSNPHGZLKD-UHFFFAOYSA-N 426.436 5.301 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccccc1)C(=O)Cc1cccs1 1336114 HEOLXQUFDJPXOQ-DEOSSOPVSA-N 436.577 5.103 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)cc2c1 1366976 CZUMOEMVLCNKGK-UHFFFAOYSA-N 444.506 5.217 0 40 IKAB O=C(CSc1cc(Cl)ccc1Cl)Nc1nc(-c2ccc(Cl)cc2)cs1 1392131 QGRJYLCSWCFTJG-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB Cc1ccc(C)c(CNC(=S)NCCc2c(C)[nH]c3ccc(Br)cc23)c1 1410395 MZDDUVSPHQXZMP-UHFFFAOYSA-N 430.415 5.062 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccc(F)cc1)Nc1ccc(F)cc1 1417369 ZNJUOJKDGNEOAA-UHFFFAOYSA-N 428.489 5.005 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(C(C)(C)C)cc2)sc2c1CCCC2 1909636 FGCONHCKASSTGI-OAHLLOKOSA-N 429.582 5.507 0 40 IKAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1Nc1ccc(N2CCCCC2)cc1 1912379 ASZDSIDEFANDJV-UHFFFAOYSA-N 443.469 6.164 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1cccc(C(C)C)c1 1916476 ZMRBWGDQHSVXIL-UHFFFAOYSA-N 441.524 5.872 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1Cl 2264388 MKQDAMNZXZGVFS-UHFFFAOYSA-N 434.927 5.607 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3cccc(Cl)c3)ccc2c1=O 2432591 IUOANJGMEJSSMP-UHFFFAOYSA-N 436.891 6.525 0 40 IKAB biogenic Cc1oc2c(cc(NS(=O)(=O)c3ccc(F)cc3)c3ccccc32)c1C(=O)OC(C)C 2484245 LFPFXZHVIJCDSN-UHFFFAOYSA-N 441.480 5.400 0 40 IKAB C[C@@H](CCc1ccccc1)Nc1nc(-c2ccc(Cl)cc2)nc2sc3c(c12)CCC3 2664355 VPBQNTVSHIEFAW-INIZCTEOSA-N 434.008 6.934 0 40 IKAB COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CCCCCCCCCC2 2759605 JOAQVTWZCIBBJM-UHFFFAOYSA-N 441.637 6.716 0 40 IKAB NC(=O)c1c(NC(=O)COc2ccccc2Cl)sc2c1CCCCCCCCCC2 2761810 PKGQWSMOSSEWRZ-UHFFFAOYSA-N 449.016 5.737 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@H]3CCCCC3=O)c12 3292259 MWJGNZWJJYXTMF-FQEVSTJZSA-N 431.517 5.126 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)c1CC 3309303 SUDAZUZAFXGUGI-UHFFFAOYSA-N 443.587 6.837 0 40 IKAB Ic1cccc(Nc2nc(-c3cccs3)nc3ccccc23)c1 3431304 LFLGOHNCJPJUHS-UHFFFAOYSA-N 429.286 5.707 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)sc(C)c1-c1ccc(C)c(C)c1 3864153 BILTULWMNASAJV-MSOLQXFVSA-N 441.549 5.123 0 40 IKAB COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@H](C(C)C)C2)C(C)=O)cc1OC 4073365 KKSMWVZGZWUOSG-UIOOFZCWSA-N 433.633 5.700 0 40 IKAB biogenic Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3C)n2-c2ccccc2)c(C)c1 6444227 PUKWIKHHFRFDBE-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)n2)cc1 8832065 YYHYDDPJZQTNOA-UHFFFAOYSA-N 445.327 6.638 0 40 IKAB O=C(NCCc1nnc2ccccn12)c1oc2ccccc2c1CSC1CCCCC1 8877601 ADZNEKKMHRSFGK-UHFFFAOYSA-N 434.565 5.014 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Cl)c4)o2)N3)C1 8922872 QAMZDHJBEHMXMD-FQEVSTJZSA-N 427.957 5.857 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc2Oc2ccccc21 8961159 RFEFBICKYDBZLV-UHFFFAOYSA-N 442.924 5.222 0 40 IKAB COc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9075872 AHVLUGDHJZTANO-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB O=C(Nc1ccccc1F)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9101165 FFRUBXMXSQWLQB-UHFFFAOYSA-N 437.421 5.180 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 9190930 SALBNUSWSPILRS-NJDAHSKKSA-N 439.298 5.045 0 40 IKAB COc1ccc2oc(C(=O)Nc3ccc(Br)cc3Br)c(C)c2c1 9223331 MLLAVTGETZODQA-UHFFFAOYSA-N 439.103 5.527 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)c2ccc(Br)cc2)o1 9226302 KKIUHPZRDOQSHA-UHFFFAOYSA-N 439.718 5.136 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)cc1 9309077 BRUPFEDMELZABX-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)n1-c1ccccc1 9368925 IZUACAQGTKUTEP-UHFFFAOYSA-N 448.592 5.013 0 40 IKAB COc1ccc(OCCCOc2ccc(C)cc2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 9434593 SLMMVFDVOUTDGI-HKOYGPOVSA-N 443.499 5.196 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2nc3ccccc3s2)sc2c1CCC2 9444105 KHJTWEXYKQBKJU-NSHDSACASA-N 432.592 5.143 0 40 IKAB Cc1cc(C)c(C)c(-c2nnc(NC(=O)c3ccc(C(=O)c4ccccc4)cc3)s2)c1C 9446047 RTCDKBARXPDDDT-UHFFFAOYSA-N 441.556 5.922 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1ccccc1Oc1ccccc1 9461648 LNVQMCWMIJCEMJ-UHFFFAOYSA-N 448.573 5.865 0 40 IKAB Cc1cccc(-c2nc3scc(CCNC(=O)c4ccc(-c5ccccc5)cc4)n3n2)c1 9569031 DRQAFUJGDFFHQK-UHFFFAOYSA-N 438.556 5.406 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1ccc(N2CCCC2)cc1 9617037 BUEROMFEYRXOQG-UHFFFAOYSA-N 440.572 5.628 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1ccc(F)c(F)c1 9633038 FTQMOZRXYQXBHO-UHFFFAOYSA-N 428.489 5.005 0 40 IKAB Cc1nc(-c2ccccc2)c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)s1 9713058 SHNXIUSDBJSNQV-UHFFFAOYSA-N 429.549 5.356 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC2CCN(C(=S)Nc3ccccc3Cl)CC2)cc1 12499962 HFEWGKMIZKGUMA-UHFFFAOYSA-N 430.017 5.229 0 40 IKAB O=C(Nc1ccccc1)C1CCN(c2ncnc3cc(-c4ccc(F)cc4)sc23)CC1 12600663 FXEQRERCXXYAID-UHFFFAOYSA-N 432.524 5.353 0 40 IKAB Cc1nc(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c2c3c(sc2n1)CCCC3 12692078 VNORAIWUKDIXSW-CHWSQXEVSA-N 429.586 5.376 0 40 IKAB CCCc1noc([C@@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 12895468 MRQCVINXVFRPQE-CYBMUJFWSA-N 426.929 5.228 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1cnn(Cc2ccccc2)c1 12910689 JCUNTIYPDUOFSQ-FQEVSTJZSA-N 438.531 5.017 0 40 IKAB COc1ccc(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c(OC)c1 13070546 BWVATUQSXMZAQL-UHFFFAOYSA-N 433.485 5.020 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCN(c3ccc(F)cc3)CC2)cc1 13513459 JXCJLPXUJNKTHJ-UHFFFAOYSA-N 431.555 5.702 0 40 IKAB COc1ccc(NC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)c(OC)c1 13573538 XARVUBRZMOTZMN-UHFFFAOYSA-N 449.503 5.344 0 40 IKAB Cc1ccc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)cc1Cl 13634056 WILODQGANPXEHV-UHFFFAOYSA-N 434.352 5.136 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc2ccccc2c1 13708400 LPGJDFIRESUVFE-HXUWFJFHSA-N 427.569 6.847 0 40 IKAB O=C(N=S1C[C@@H](c2ccccc2)OC(c2ccc(Cl)cc2)=N1)c1ccc(Cl)cc1 13739358 BYYDKMLYDPRFPT-OORIHMLWSA-N 443.355 6.069 0 40 IKAB O=C(Nc1nc(-c2ccccn2)cs1)c1cn(-c2ccccc2)nc1-c1cccs1 14689045 RXSYCYSXFWCZGB-UHFFFAOYSA-N 429.530 5.372 0 40 IKAB CCN(C(=O)COC(=O)/C(=C/c1cccs1)c1cccs1)c1cccc2ccccc12 15911677 WUDSHLNJJOBBOW-LTGZKZEYSA-N 447.581 6.100 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=S)NC(=O)CC(C)C)cc3n2)cc1 16193198 TYOKCWYCFBGWSM-UHFFFAOYSA-N 444.004 5.276 0 40 IKAB COc1cccc(C(=O)Nc2ccc(Nc3nc(C)cc(Nc4ccccc4)n3)cc2)c1 17013503 APGFFFYPRLTSSN-UHFFFAOYSA-N 425.492 5.533 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 17095980 JAUQEHXMTRHREI-UHFFFAOYSA-N 428.535 6.730 0 40 IKAB COc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1cccs1 17097375 STVTXKFFFFIIIH-UHFFFAOYSA-N 431.311 5.024 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(C)c3C)c2c1 17121950 OSZRYYIZVJKWNF-UHFFFAOYSA-N 431.605 6.436 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4)o3)cc2s1 19630775 KCCKJAKBXQFUNM-UHFFFAOYSA-N 439.924 6.201 0 40 IKAB Cc1nc([C@@]2(O)CCCN(C3CCCCC3)CC2)sc1CCOc1ccccc1F 19705420 SYWKJRLFUZNTHF-XMMPIXPASA-N 432.605 5.218 0 40 IKAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCCC1 20043677 IOKWKTMGVJTUEK-XMMPIXPASA-N 443.012 5.519 0 40 IKAB Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 20058999 RGRAXDVQTOFMNS-UHFFFAOYSA-N 426.232 5.536 0 40 IKAB CN(C(=O)/C=C/c1cc(Cl)cc(Cl)c1)[C@@H](c1ccc(Cl)cc1)c1nccn1C 24969197 AHJNXXKHARSIEZ-KRNDSPITSA-N 434.754 5.642 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3cccs3)N3CCCCCC3)c(C)c2cc1Cl 27991529 HCYHDSCFQFGOPO-IBGZPJMESA-N 431.001 6.112 0 40 IKAB Cc1ccc2c(C(=O)[C@H](C)N3CCN(c4cccc(C(F)(F)F)c4)CC3)c(C)[nH]c2c1 35190158 PJISJAACZDCYRU-KRWDZBQOSA-N 429.486 5.197 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cccc3ccccc23)cc1OCC 35315106 VFJFFJIDUYALQV-UHFFFAOYSA-N 428.326 6.042 0 40 IKAB CC(C)c1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 35533880 KFDVSWNBWXWNKX-UHFFFAOYSA-N 448.998 6.400 0 40 IKAB O=C(NC1(C(=O)O)Cc2cccc3cccc(c23)C1)OCC1c2ccccc2-c2ccccc21 38528661 DULCMLWSGUHZIS-UHFFFAOYSA-N 449.506 5.301 0 40 IKAB Cc1nc(NC(=O)C(C)(C)C)sc1-c1csc(Nc2cccc(C(F)(F)F)c2)n1 40556441 LFZYECPCRRZGOA-UHFFFAOYSA-N 440.516 6.322 0 40 IKAB COc1ccc(NC(=O)CSC2=NC3(CCCC3)N=C2c2cccs2)cc1Cl 46022336 HJSYEUVKKMSTHN-UHFFFAOYSA-N 433.986 5.254 0 40 IKAB Cc1nc2c(C(F)(F)F)cccc2nc1-c1ccc(-c2ccccc2S(C)(=O)=O)cc1 49112362 XRKIRPKDPBHBRD-UHFFFAOYSA-N 442.462 5.695 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@H](C)CCc1ccc(Br)cc1 59988144 YPPXPDAREPAYLU-CQSZACIVSA-N 446.776 5.348 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2-c2ccc(F)cc2)cc1OC 71328628 JEDXCLIHMXDDBJ-UHFFFAOYSA-N 441.455 5.030 0 40 IKAB O=C(Cc1ccccn1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 72349479 YBZDMDDGHHQCGN-GOSISDBHSA-N 425.454 5.111 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1 72372543 LRVITRPARYUEBK-JOCHJYFZSA-N 436.581 5.203 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c(OC)c1 101035988 ZRVPLKLACAGKSC-KCXPTXFHSA-N 430.548 5.474 0 40 IKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C(C)(C)C)cc1 218882704 SUJANTNTYKKWNV-INIZCTEOSA-N 446.429 6.300 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)cc1 219455615 MDKGOEYVSVKMJG-UHFFFAOYSA-N 438.980 5.283 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222727061 UMIJATLSKAUDIR-HXUWFJFHSA-N 426.409 6.139 0 40 IKAB Cc1cccc(CN(C(=O)COc2ccccc2C(C)(C)C)[C@@H](C)C(=O)NC(C)(C)C)c1 222745732 DXJQQKCQGOSNOW-FQEVSTJZSA-N 438.612 5.003 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222849036 HRMBGDSIYVBESZ-WOJBJXKFSA-N 432.376 6.029 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)c2cccc(N3CCCC3=O)c2)cc1 223856790 SKEZADBJWZLDKA-UHFFFAOYSA-N 436.895 5.520 0 40 IKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ccc(N2Cc3ccccc3C2)nc1 223911800 VXLDPBUHTLJPIV-UHFFFAOYSA-N 426.545 5.348 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223974909 LFGOXVUCWRAPQN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 224264468 PJQXDWRYZBPRPO-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(C)c3)c2)cc1 224386546 CAFVKYKJVQCLJF-UHFFFAOYSA-N 433.504 5.402 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224392492 WTMWAVMUHDYNKW-HNNXBMFYSA-N 446.399 6.785 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1Cl 224475410 YQKQLNFNIWPNLF-UHFFFAOYSA-N 430.331 5.901 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCC2)cc1 224697005 YKTMKUWEECINGS-FQEVSTJZSA-N 438.587 5.358 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225075228 NHJVRUVGARWBEL-FGZHOGPDSA-N 436.640 5.557 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCSc2ccc(Cl)cc2)ccc1Cl 225288706 NAXPBTMZICAQSG-UHFFFAOYSA-N 429.394 5.249 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1NC(=O)c1ccccc1 408558554 RWZMMUUIPOZKNQ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659224 OWSIPKOUQNSWCL-FPMFRTRJSA-N 448.349 5.401 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2ccc(Cl)cc2)cc1 408688342 WAUSYGCPKVOVGG-JOCHJYFZSA-N 433.356 6.090 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c(C)c1 408693779 DKIWPSLUAZLQKQ-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(C)c3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408698986 QPNINZSIOQFRRF-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(Cl)cc2)cc1 408699980 XZSDKGGPMORNRV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(CC)cc2)cc1OCC 409115970 KGLUAMDZKKOMFF-UHFFFAOYSA-N 439.337 5.653 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 409120036 SQIKSLLIPMNZBE-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc(Cl)c1OC(C)C 409145176 POHPESYZEFZTIW-XDHOZWIPSA-N 437.989 6.143 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccc(C)cc3)c(Cl)c2)C1=O 409234499 LCYIKGHLVLKECP-XDHOZWIPSA-N 444.940 5.112 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2 585261804 OGFAAIXWFDYMRD-OAQYLSRUSA-N 431.507 5.335 0 40 IKAB COc1ccc(-c2nc(C3=Cc4ccccc4O[C@@H]3C)[nH]c2-c2oc(C)cc(=O)c2O)cc1 1547138731 FXBQRTMDOLHUSK-OAHLLOKOSA-N 442.471 5.041 0 40 IKAB biogenic COc1ccccc1-c1ccccc1CN1C[C@@H](c2ccccc2)[C@@]2(CCCCC(=O)N2)C1 1848355708 IFHQFFPXTJRYNY-LITSAYRRSA-N 440.587 5.391 0 40 IKAB CC(C)c1ccccc1NC(=O)COc1ccc(Br)cc1Br 851380 CARNAOZGLKIGMF-UHFFFAOYSA-N 427.136 5.353 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(C(=O)COC(=O)c3cc(C)nc4ccccc34)cc2)cc1 993163 DRKKUKNPXHTVBK-UHFFFAOYSA-N 439.467 5.111 0 40 IKAB O=C(O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 1196430 LFURLKLYMADWAL-WOJGMQOQSA-N 425.849 5.539 0 40 IKAB O[C@@H](CN1CCCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 1248814 FVTKUMLHMGZMOF-RBJSKKJNSA-N 449.683 5.619 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 1341574 CRAJMSOVKKTUKS-SANMLTNESA-N 444.575 5.463 0 40 IKAB O=S(=O)(c1ccccc1)N1CCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 1354415 OBEPLGBMGOMNLF-UHFFFAOYSA-N 439.606 5.306 0 40 IKAB O=C(Nc1ccc(Br)cc1)Oc1ccc(Cl)cc1C(=O)c1ccccc1 1590762 HQZPNJJXGHJTRJ-UHFFFAOYSA-N 430.685 5.944 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 1764011 PFWYNFCZPMOLFK-UHFFFAOYSA-N 442.650 6.279 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(C)cc2)cc1 2617116 ZIMBMXNAOZHFMO-LJQANCHMSA-N 429.516 5.535 0 40 IKAB C[C@H](C(=O)c1c[nH]c(C(=O)C(Cl)(Cl)Cl)c1)c1ncc(C(F)(F)F)cc1Cl 3105476 KPYVSPPNFLPYRR-LURJTMIESA-N 448.055 5.621 0 40 IKAB C[C@@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 3268937 TZFNHMWQUAKROJ-RTBURBONSA-N 432.951 5.478 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)c2ccccc2)c1 3277918 FNTZLLQTBHCKJI-FQEVSTJZSA-N 429.394 5.251 0 40 IKAB CCCCOC(=O)c1c(N)n(-c2ccc(C(F)(F)F)cc2)c2nc3ccccc3nc12 3321955 KJURNXHOXGEYLV-UHFFFAOYSA-N 428.414 5.132 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3cc(F)ccc3F)n2C2CCCCC2)cc1 3412171 FJTZGTRWUVVULX-UHFFFAOYSA-N 443.519 5.712 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)c3nc(-c4ccccc4)cc(C(F)(F)F)c23)cc1 3651664 AUKPPKMXJIXSHL-UHFFFAOYSA-N 445.444 6.782 0 40 IKAB CCOc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)cc1 3766623 DZRYDGQJKWBGFG-UHFFFAOYSA-N 433.430 6.219 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 4122967 LKMVEAHLYSGUQO-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NCCCCNC(=O)/C=C/c2ccc(C(C)C)cc2)cc1 4712986 CCSYKAOVSFNGDZ-JYFOCSDGSA-N 432.608 5.673 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4768005 NCZZDYJSOQMMEC-DEOSSOPVSA-N 426.495 5.720 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(Cc2ccncc2)cc1 6444834 WVFMHAHODAYHSF-JXMROGBWSA-N 449.337 6.891 0 40 IKAB CCc1ccccc1N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928779 KHNRPIHLXRMZKI-OAQYLSRUSA-N 427.544 5.533 0 40 IKAB CC(=O)Oc1c(Sc2cc(C)cc(C(C)(C)C)c2OC(C)=O)cc(C)cc1C(C)(C)C 8781103 FPSXDKCYOICJSC-UHFFFAOYSA-N 442.621 6.900 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3ccc(F)cc3)nc2cc1C 8832227 AZBZEKNNDNAVED-UHFFFAOYSA-N 445.281 5.436 0 40 IKAB CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccc(OC)cc3)c3ccccn23)cc1 8844897 YNXCGQVNXYERMA-UHFFFAOYSA-N 441.531 5.356 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(C(F)(F)F)c4)o2)N3)C1 8928014 MCQJHOTVEWZZJM-IBGZPJMESA-N 447.482 5.834 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@H]2c2cccs2)ccc1OCc1c(C)noc1C 9245512 GMRNXLHOWFCBKW-BQYDLMEBSA-N 438.549 5.317 0 40 IKAB COc1cc([C@@H]2CC(=O)N(Cc3ccccc3)c3ccccc3S2)cc(OC)c1OC 9414578 VCWCWAHLCYEGIN-QHCPKHFHSA-N 435.545 5.483 0 40 IKAB c1ccc(-c2nc3c4c(ncn3n2)Oc2c(ccc3ccccc23)[C@H]4c2cccnc2)nc1 9433876 YXPLWVKLQOSNLM-OAQYLSRUSA-N 428.455 5.020 0 40 IKAB CC(C)Cn1c(SCc2c(F)cccc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1 9582414 PKGPHUMRSZRFME-HNNXBMFYSA-N 446.979 5.510 0 40 IKAB COc1ccc(Nc2nc3cc(Cl)c(Cl)cc3nc2-n2nc(C)cc2C)cc1Cl 9604929 AIRQTRWYRWCZHR-UHFFFAOYSA-N 448.741 6.145 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 9642542 GHHQNJYMALKJES-GXTWGEPZSA-N 425.579 5.138 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2Cl)n1C)c1cccc2ccccc12 9810376 VGFRSDWGGKNBNO-UHFFFAOYSA-N 436.968 5.434 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 9892113 NERCQUWNZAXUDT-XCVCLJGOSA-N 434.373 5.643 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 10003545 RZSDHZVCIVFVHE-UHFFFAOYSA-N 447.541 5.127 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](Sc1nnc2ccccn12)c1ccccc1 10028523 ZCVFSTGFEMWXLH-SFHVURJKSA-N 429.332 5.508 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111980 XBPYCNKOOXTPFZ-GOSISDBHSA-N 436.577 5.276 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 10112193 PFXFMURNQJSWPJ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB O=C(Nc1c(C(=O)c2ccccc2)oc2ccccc12)c1cc(-c2ccc(Cl)cc2)on1 11916139 RXGPTKHXDAERIH-UHFFFAOYSA-N 442.858 6.225 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](NCc1ccc(CN2CCCCC2)cc1)c1ccccc1 12567909 GZAUTCLIFAWKCK-AREMUKBSSA-N 431.555 5.281 0 40 IKAB CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)C[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12659680 CNXPKARYBROKAV-UWFXRURXSA-N 435.652 5.975 0 40 IKAB biogenic CCOc1ccc(CN(C)[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 13040087 SCMIRVZYSAGZDU-HSZRJFAPSA-N 443.374 6.204 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(Cl)cc4)n3N)cs2)cc1C 13120542 OUMVCWKGDHBSOG-UHFFFAOYSA-N 443.001 5.422 0 40 IKAB C/C=C(\C)c1cc(O)c(C)c(O)c1C(=O)Oc1cc(/C(C)=C/C)c(C(=O)O)c(O)c1C 13309245 LFTHRDXERPBJOF-MKICQXMISA-N 426.465 5.184 0 40 IKAB biogenic CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@@H](C)Oc1ccccc1Cl 13870836 NSHIRLANGGSRPM-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB CCCCCc1ccc(-c2nc(-c3ccc(-c4ccc(CCCCC)cn4)cc3)no2)cc1 13895613 VENOBYCNCIJQPN-UHFFFAOYSA-N 439.603 7.931 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1ccccc1C(C)(C)C)c1ccccc1 14666367 MZYNWHHZAXWGMF-LJQANCHMSA-N 430.548 5.493 0 40 IKAB Clc1ccc(-c2nc3cc(Br)cnc3nc2-c2ccc(Cl)cc2)cc1 15082303 KRKKMGADVRXUDY-UHFFFAOYSA-N 431.120 6.428 0 40 IKAB CN(C(=O)c1ccccc1Br)[C@H](c1cccs1)c1c[nH]c2ccccc12 15835520 XPGCGLUXJDMMKU-FQEVSTJZSA-N 425.351 5.854 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)N1CCN(c2c(F)c(F)c(Cl)c(F)c2F)CC1 16138143 UBAUOLYGCCVNGT-UHFFFAOYSA-N 444.900 5.152 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1OC 16227442 GSXPCAFSAZWLQX-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3Cl)nc12 17100034 QVJLYOALNPSROG-SOFGYWHQSA-N 436.389 5.746 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1)c1ccc(Cl)cc1 19631341 UOCNKHHCMCRRBZ-UHFFFAOYSA-N 440.374 5.568 0 40 IKAB COc1ccc2c(c1)[nH]c1c(N3CCN(C(c4ccccc4)c4ccccc4)CC3)ncnc12 20332560 BCVGZWGOZJGMDJ-UHFFFAOYSA-N 449.558 5.031 0 40 IKAB COc1ccc(-c2nc(COC(=O)Cc3ccc(Cl)cc3Cl)cs2)c(OC)c1 24776261 SKWQDZKUZFAISO-UHFFFAOYSA-N 438.332 5.420 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2C)c(C)c1 32109650 SGQPOWQSOSZGBU-UHFFFAOYSA-N 428.532 6.561 0 40 IKAB O=C(c1cccs1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 32912334 FGODHHBQUCPEDK-INIZCTEOSA-N 425.897 5.032 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)cc1 35292054 LDYZBRNXIFBSLS-UHFFFAOYSA-N 443.528 5.142 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccccc2Cl)n1-c1ccccc1)CCCC3 39869109 ZODXYMLPWDMENV-UHFFFAOYSA-N 439.005 6.272 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1 40485302 YRIHCGMKLKBWAC-QFIPXVFZSA-N 434.333 5.810 0 40 IKAB CCOC(=O)Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 41127447 XYDJTAZMRTWSAR-UHFFFAOYSA-N 436.305 6.030 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(OC)cc1OC 49005012 RGFCRFKKNRWXAK-QGZVFWFLSA-N 434.540 5.104 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)CCc1ccc(Br)cc1 59988092 JSFPSPWFIAEXAS-CQSZACIVSA-N 444.348 5.142 0 40 IKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)c(OC)c2)cc1 67260473 OFVRWTLGUIMVEJ-UHFFFAOYSA-N 430.529 5.338 0 40 IKAB COc1ccc(Cl)cc1/N=c1\oc2ccccc2cc1C(=O)Nc1ccc(C)cc1C 67297309 QZTVEZADFOZXOK-FVDSYPCUSA-N 432.907 6.196 0 40 IKAB S=c1n(CN2CCCCC2)nc(-c2ccccc2)n1-c1ccc(Br)cc1 67321265 NQRGIOUGWGQKQM-UHFFFAOYSA-N 429.387 5.276 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2nccnc2-c2cccc(Cl)c2)C1 72358976 ISLBWJCTKLBAEW-GOSISDBHSA-N 430.939 5.227 0 40 IKAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccc(C(F)(F)F)cc1 101354162 RZYYEBIBKOZUBT-UHFFFAOYSA-N 437.421 5.202 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4cccc(Cl)c4)C3=N)n2)cc1OC 102716986 HQKHPVIKKVHEHN-UHFFFAOYSA-N 427.913 5.247 0 40 IKAB CC(=O)O[C@H]1C=C2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@]2(C)CC1 118923700 ZHJLBJGONRECQF-KEAWAFBBSA-N 442.728 8.206 0 40 IKAB COC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC(C)=O)C[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 143132670 PMJBQFRZSVOFFB-HOQKBONQSA-N 448.644 5.137 0 40 IKAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1 218989586 HKJINIWFPKQFEJ-KRWDZBQOSA-N 425.912 5.125 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 222542332 BKRKDPMWGYJURO-JOCHJYFZSA-N 447.044 5.295 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222826859 JGVYVSVOHKLILE-SFHVURJKSA-N 447.044 5.463 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222938671 AOSTYOXDYRIJJG-LEWJYISDSA-N 446.403 6.277 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccccc1 223399417 LJDIVWJKUXMCHA-ZEQRLZLVSA-N 445.975 6.168 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223793490 OIVKEBPLDBWJCO-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 223833932 AMTMZEBGGRKABG-SFHVURJKSA-N 447.579 5.339 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223915706 XJEOJCKKUOOREW-BJKOFHAPSA-N 431.609 5.241 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(C(C)(C)C)cc1 224180245 WSPHAGUOFOPLTO-UHFFFAOYSA-N 439.555 6.977 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224270014 ZLENFMDVMRFKRI-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224332883 IMYPEYKJFGHVSJ-FTJBHMTQSA-N 444.648 6.355 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCc3ccc(Cl)cc3)c2)cc1 225305351 ZJHCEJQXXSSLBN-UHFFFAOYSA-N 437.008 6.355 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225458802 JUTWPPYENHSKQY-DYESRHJHSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225478554 UPWPZHJZJZAJDL-WMZHIEFXSA-N 445.003 5.221 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)O2 225673849 ZQTGFFFBXZCLHK-INIZCTEOSA-N 428.907 6.256 0 40 IKAB CC(C)=CCC[C@@]1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 257234586 GUGKFRMNUTWHMB-LONWNBDUSA-N 441.612 6.431 0 40 IKAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257296204 RBRZSPSSGSOPBK-HSZRJFAPSA-N 447.022 6.318 0 40 IKAB Cc1c(C(=O)N2CC[C@@H](c3c(C(=O)NC(C)C)sc4ccccc34)C2)[nH]c2ccccc12 257323515 WKOISXRXOQIIOD-QGZVFWFLSA-N 445.588 5.459 0 40 IKAB COc1ccccc1NC(=O)COc1ccc(CNc2ccccc2Cl)cc1Cl 408557030 MNHVBSKDKOTWSN-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2C(F)(F)F)cc1 408675394 IGOGPTUETGENBD-UHFFFAOYSA-N 438.405 5.455 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccccc2)cc1 408696929 GHXVZURPNUTJKU-UHFFFAOYSA-N 434.499 5.739 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(Cl)c2C)cc1 408696983 DDDZYXPILHQWNX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccc(C)cc2)cc1 408727796 XQXBNJNHAYJDAN-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB O=C(Cn1nc(COc2ccccc2)oc1=S)Nc1cc(C(F)(F)F)ccc1Cl 409157900 WDDROQQKONMUDJ-UHFFFAOYSA-N 443.834 5.095 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccc(C)c(Cl)c3)n2C)cc1 409194298 JQRGBGZDVVBPCO-RFBIWTDZSA-N 432.976 6.432 0 40 IKAB COc1ccc(NC(=O)c2cnn(C(C)C)c2C)cc1NC(=O)c1ccc(Cl)cc1F 538844293 LFXCXXVPKAXGTC-UHFFFAOYSA-N 444.894 5.078 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 651176 JSAXRULCPCFPTJ-UHFFFAOYSA-N 443.572 5.046 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 878449 UIKRBBDVXJMIQD-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB C[C@H](Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)OCc1ccccc1 953530 KQRGXNMQGUGUHH-INIZCTEOSA-N 443.421 5.468 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(C)cc3)n2-c2ccccc2)cc1OC 1222337 MQIWWLNPVYSZRW-UHFFFAOYSA-N 445.544 5.235 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1224440 UXIQDBSDXKFXLI-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)cc1 1248689 PJSGSVHZFCWFDY-UHFFFAOYSA-N 447.585 5.842 0 40 IKAB Cc1ccc(NC(=O)N(CCc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1360980 BBLAYOCHQLMRKP-UHFFFAOYSA-N 439.559 5.730 0 40 IKAB Cc1ccc(-c2csc3ncn4c(SCC(=O)Nc5ccccc5F)nnc4c23)cc1 1373403 RSTIMYZAACZFRR-UHFFFAOYSA-N 449.536 5.184 0 40 IKAB COc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cc2cccc(C)c2[nH]c1=O 1378223 OPTMLGZBKSHTGN-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccc(F)cc1 1463869 CBTSYEGKNRQTQF-UHFFFAOYSA-N 432.447 5.512 0 40 IKAB biogenic Cc1cccc(Oc2coc3cc(OCc4cccc(Br)c4)ccc3c2=O)c1 1781893 VITQFTIONJVDRO-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB CCc1ccc(C)c(OC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 2065823 GQRRHDGZURYTPA-GFCCVEGCSA-N 442.147 5.455 0 40 IKAB CCn1c2ccccc2c2cc(-n3c(-c4cccs4)nc4nc5ccccc5nc43)ccc21 2250929 IJYVZVDRJKNHPE-UHFFFAOYSA-N 445.551 6.825 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 2322943 MXOASUBCAMGIBF-HNNXBMFYSA-N 446.400 6.281 0 40 IKAB Cc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2cnccn2)cc1 2332664 GDJSCWFQTYSSHH-UHFFFAOYSA-N 428.348 5.632 0 40 IKAB O=C(CSc1nnc(-c2ccccn2)n1-c1ccccc1)Nc1cccc2ccccc12 2365796 HQRFGGFUTJKOJY-UHFFFAOYSA-N 437.528 5.213 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(C)c3ccccc3)nnc2-c2ccccc2F)cc1 2623593 CPHQTAWSOCJOTB-UHFFFAOYSA-N 432.524 5.137 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)no1 2643893 XALJTWIJZQKOOV-UHFFFAOYSA-N 439.585 5.385 0 40 IKAB CCCc1ccc(-c2csc(NC(=O)c3cn(CC)c4nc(C)ccc4c3=O)n2)cc1 2646084 DESXTYWJLJOJTE-UHFFFAOYSA-N 432.549 5.053 0 40 IKAB Cc1ccc(COc2cccc(/C=C3\N=C(c4ccccc4Br)OC3=O)c2)cc1 2740211 CYTBTDPRFJMGQP-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB COc1ccc(NC(=O)Cc2sc(-c3ccccc3Cl)nc2-c2ccccc2)cc1 3047521 VNQKOZUWBAUYHI-UHFFFAOYSA-N 434.948 6.320 0 40 IKAB C[C@@H](NC(=O)COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 3275228 VKVCOLJSKYWGCY-LLVKDONJSA-N 432.756 5.160 0 40 IKAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1ccc(OCc2ccccc2)cc1 3314434 ZWBHWRGKORPETK-UHFFFAOYSA-N 429.394 5.080 0 40 IKAB CC(C)(C)c1ccc(NCc2cc3c(C(C)(C)C)nn(-c4ccccc4)c3[nH]c2=O)cc1 5855856 IREGTXIEZSIPGZ-UHFFFAOYSA-N 428.580 5.921 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 8452536 SZEJXKFOZCECRP-GOSISDBHSA-N 434.967 6.533 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 8717718 AXSUTYRUGZASNU-JOCHJYFZSA-N 433.939 5.469 0 40 IKAB COc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)c(OC)c1 8791724 ZPUFJXRJHSKMEV-UHFFFAOYSA-N 449.503 5.361 0 40 IKAB biogenic Cc1ccccc1N(N=O)C1(c2nnnn2-c2ccccc2C)CCC(C(C)(C)C)CC1 8926099 FWZMKRSOTPDZBN-UHFFFAOYSA-N 432.572 5.899 0 40 IKAB C[C@H]1CSC(N(C(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 9125579 INAASPQVKXJWMI-YWZLYKJASA-N 430.957 5.036 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)o2)c2ccccc2)cc1Cl 9496482 FZLMFGSVZPXMLY-JOCHJYFZSA-N 449.963 6.094 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1ccc(F)cc1F 9639497 NYHKVBSCXLGUDF-GFCCVEGCSA-N 439.491 5.159 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1oc2ccccc2c1COc1ccccc1 9713757 COMKACAAZDNSGX-UHFFFAOYSA-N 426.472 5.391 0 40 IKAB O=C(CN1CCC(c2c[nH]c3ccccc23)CC1)Nc1ccc(Br)cc1Cl 10225413 UDXJRSXZVPJWFX-UHFFFAOYSA-N 446.776 5.402 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 10866563 JSBWBGHEEXWXGK-OAQYLSRUSA-N 428.557 5.640 0 40 IKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 11865241 PUTGWIKEHKIGOU-UHFFFAOYSA-N 434.419 5.398 0 40 IKAB biogenic Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccc(C)cc4)c3c2N)cc1 12250043 NCIAKFYNHDGWIH-UHFFFAOYSA-N 434.564 7.060 0 40 IKAB CC(=O)c1ccc(C(=O)Nc2nc3cc(C(F)(F)F)ccc3n2Cc2ccco2)s1 12520695 MFFSFLJLXXAXGW-UHFFFAOYSA-N 433.411 5.213 0 40 IKAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3SCc3cccs3)CC2)cc1 12544187 IPUVKLGGVYIZII-UHFFFAOYSA-N 436.602 5.205 0 40 IKAB CCOc1cccc(COC(=O)COc2ccc(Cl)cc2)c1OCc1ccccc1 12637352 CTWUASBHVCRGGN-UHFFFAOYSA-N 426.896 5.440 0 40 IKAB CCc1nnc2sc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(C(C)C)cc4)c3)nn12 12855488 KQJSJHMRUQAOAB-UKTHLTGXSA-N 431.565 5.499 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2ccccc2)cc1OC 13512004 IAQACKJFOKOWNI-NRFANRHFSA-N 437.337 5.822 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc(N3CCCCC3)c3c(c12)CCCC3 13756221 UQDOYSNPZHDXKC-UHFFFAOYSA-N 425.985 5.632 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNC2CCCCC2)c(Cl)c1 16384978 KEYZHLNZUNXGFD-UHFFFAOYSA-N 443.212 6.757 0 40 IKAB C[C@H]1CC(=O)c2c(OC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)ccc(F)c21 16698978 USRBQMUWRBMITF-INIZCTEOSA-N 445.490 5.127 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(Cl)ccc1Cl 17095238 QJLARLQGRQOTNK-ZZXKWVIFSA-N 427.114 7.212 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cc(Cl)ccc1Cl 17095604 MXVQCXQHRAACMC-UHFFFAOYSA-N 427.662 5.792 0 40 IKAB O=C(NC12CC3CC(CC(C3)C1)C2)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19840600 BGENOXQYKVQKTQ-UHFFFAOYSA-N 429.608 5.072 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(Cl)cc1Cl 21580795 MJUZEBIEQTWLLM-UHFFFAOYSA-N 442.302 5.563 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNCc2ccco2)c(Cl)c1 22076337 YGKQRDNCAPCZOT-UHFFFAOYSA-N 441.152 6.218 0 40 IKAB CN(Cn1nc(-c2ccncc2)n(-c2ccc(F)cc2)c1=S)C1C2CC3CC(C2)CC1C3 24657529 LOFOOFMYIBOGLO-UHFFFAOYSA-N 449.599 5.318 0 40 IKAB Clc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCc2ccccc2)cc1 27525675 WIPJNCRLSYIDSM-RWEWTDSWSA-N 425.384 6.999 0 40 IKAB Cc1ccc2nc(Sc3ccccc3)c(/C=C3/N=C(c4ccccc4C)OC3=O)cc2c1 27573045 KZZTZDCZKWSGIG-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3cc4c(ccc5ccccc54)o3)c2)cc1 30866008 UOHSMUWHWTZPKN-UHFFFAOYSA-N 447.534 7.367 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 32109691 CYXJCTZIOLZPCY-RUZDIDTESA-N 432.495 5.138 0 40 IKAB biogenic O=C(NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1)c1ccccc1 32114794 WBKDXQVMXMJHFF-UHFFFAOYSA-N 443.862 5.553 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127230 KIONYUPCBXDKHE-UHFFFAOYSA-N 444.943 7.032 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccccc2CSc2nc3ccccc3o2)cc1F 32719763 FJTVMQBBRQLANW-UHFFFAOYSA-N 436.508 5.540 0 40 IKAB C[C@H](Nc1ccc2c(c1)NC(=O)CO2)c1nc2cc(Cl)ccc2n1Cc1ccccc1 32806149 KWPLNCVJMXMNIE-HNNXBMFYSA-N 432.911 5.242 0 40 IKAB COc1cccc2c1O[C@@H](c1ccc(C(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 36352151 MASKWKLWSWQJQG-BVAGGSTKSA-N 432.951 6.714 0 40 IKAB CCOC(=O)C[C@@H](c1ccccc1)C1CCN([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 40139322 IEXZYJMPPPXKKR-RXVVDRJESA-N 442.987 5.116 0 40 IKAB O=C(Cc1csc(-c2ccc(C(F)(F)F)cc2)n1)Nc1nc2ccccc2nc1Cl 40155125 LPCSLZRNYIFINF-UHFFFAOYSA-N 448.857 5.607 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)C23CCCC3)cc1 44918650 MWCDKRKPXPAYSC-XMMPIXPASA-N 445.563 5.079 0 40 IKAB CCc1ccc(OC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2ccncc2)cc1 58094748 XUSSIPZPSCMLCD-UHFFFAOYSA-N 434.499 5.323 0 40 IKAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 59478020 FLZPSLFMJYBBHL-IRXDYDNUSA-N 444.553 5.557 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc5c(c4)CCC5)nccn3n2)cc1C 67290035 WMSPKFSSEPXLSG-UHFFFAOYSA-N 428.561 5.233 0 40 IKAB CC(C)(C)c1nc(CN2CCC([C@H]3CCCCCN3C(=O)Nc3ccccc3)CC2)no1 69920308 MQBRJQDFKCZOEJ-OAQYLSRUSA-N 439.604 5.056 0 40 IKAB CC(=O)N(CCC(=O)Nc1cc(Cl)ccc1SCC(F)(F)F)Cc1ccccc1 72293440 SMPZHWWWCFTCIU-UHFFFAOYSA-N 444.906 5.372 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2nc(-c3cccs3)no2)c1 95947051 MPGKOQFNGFTHOS-QGZVFWFLSA-N 432.549 5.520 0 40 IKAB Cc1cccc([C@@H](N(Cc2ccccc2)C(=O)CCNC(=O)c2ccco2)C(F)(F)F)c1 96003461 VYDHDXADRVTJAA-JOCHJYFZSA-N 444.453 5.040 0 40 IKAB Brc1cccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3ncnn32)c1 101100867 OSXIYGBLZPUGNF-JOCHJYFZSA-N 429.321 5.764 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 106690870 XTBJJYFCDMYCAX-HAHDFKILSA-N 435.520 6.394 0 40 IKAB O=S(=O)(NCCSCc1ccc(Cl)c(Cl)c1)c1ccc2ccccc2c1 108115528 XUYGIUVVDMQHRP-UHFFFAOYSA-N 426.390 5.358 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118929607 XXQASABQMMKQBU-BOAUOWLMSA-N 448.759 8.557 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc12 214400414 PVLOJKFYVQUHDX-KEBDBYFISA-N 444.339 6.392 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C)cc1 223253863 MIDGVGNXEAWZHG-MHZLTWQESA-N 442.603 5.012 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C(C)C)c2C)cc1 223417680 JQYFZFIQXPLCJP-ZEQRLZLVSA-N 434.609 5.262 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224119824 WDJWLBZDYYDLMD-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224231377 WEOVCYIPXUNBCJ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 224814807 CTIUDGKNSYYXPP-SFHVURJKSA-N 433.017 5.074 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224875222 PZHFMSRRYFIZDT-RUZDIDTESA-N 448.994 5.047 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224972631 GKPKLURDOVZQFF-JOCHJYFZSA-N 449.422 5.158 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225547430 VPUCNPIYBWWEBE-BWKNWUBXSA-N 438.612 5.219 0 40 IKAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 225739912 WXSRTHNREMHHRU-ZDUSSCGKSA-N 427.923 5.487 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Oc2cccc3c2CCCC3)sc2c1CCCC2 225811504 MRDWAQGVDDQKFT-HNNXBMFYSA-N 427.566 5.088 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 225828651 BFWGPHAPDXHVIU-UHFFFAOYSA-N 445.828 6.133 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c(C(=O)OCC)c1 225844782 ZUBIFRMNYCFSTE-HXUWFJFHSA-N 449.632 6.237 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cn1 225937244 FAXBVUWWKLETKQ-UHFFFAOYSA-N 442.946 5.911 0 40 IKAB CCc1cc(Br)cc(CC)c1NC(=O)c1cn2c3c(cccc3c1=O)CCC2 226093558 PQSJKHZHCNYBBJ-UHFFFAOYSA-N 439.353 5.087 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3cccc(Cl)c3)cc2)cc1 408544654 IITLWHFXIWCMCT-UHFFFAOYSA-N 442.049 6.604 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1 408577904 VPEUUVKNWBGJPO-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@@H]2C1 408683032 MGNPGGSOORPMOA-DLBZAZTESA-N 429.303 5.091 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(OC)c2)C1=O 409012770 KMZKDBKKEXQQPG-OTGIAGGSSA-N 449.931 5.902 0 40 IKAB c1ccc(Oc2ccc(NCc3ccc(OCc4cccc5ccccc45)cc3)cc2)cc1 409118344 PEGHQEABIVXGOI-UHFFFAOYSA-N 431.535 7.823 0 40 IKAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1OCc1ccc(C(=O)O)cc1 409142482 AGCJOJQSYZUQQZ-HSZRJFAPSA-N 434.517 5.059 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2ccccc2Cl)Cc2ccccc21 643588953 NVDNAXFLOYICND-UHFFFAOYSA-N 426.988 5.936 0 40 IKAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 674849177 STRUNKSLGMXKCT-QHCPKHFHSA-N 428.536 5.201 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 660274 JQXZMGQSPQPOAX-UHFFFAOYSA-N 444.379 5.930 0 40 IKAB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc2c(c1)OCO2 720532 FXVNSTZPSHWZMB-FCHUYYIVSA-N 425.843 5.052 0 40 IKAB O=C(c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1)N1CCCCC1 845338 ZQXMSVFGWWTYOG-UHFFFAOYSA-N 443.256 5.348 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919457 SLQZYQKTKIYSIX-VQIMIIECSA-N 447.461 5.235 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 1068685 JYJCLAIKRCNNQV-XMMPIXPASA-N 442.950 6.234 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1371333 ATXFVXXJDWWBPS-UHFFFAOYSA-N 446.938 5.428 0 40 IKAB C[C@@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OCCOc1ccc(Cl)cc1Cl 1621149 RVTQCMLKXQQCPQ-LLVKDONJSA-N 432.687 5.206 0 40 IKAB CCc1ccc(NC2=C[C@@H](c3cccc4ccccc34)N(c3ccc(CC)cc3)C2=O)cc1 2304597 FNJDCWPDOZTSSX-LJAQVGFWSA-N 432.567 7.049 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)cc1 2397394 CUHFCODMQGAFAN-UHFFFAOYSA-N 426.611 5.147 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2441387 PLVXBRCFVOLIKY-UHFFFAOYSA-N 449.963 5.783 0 40 IKAB CCCOc1c(Cl)cc(/C=C2/N=C(c3cc(F)c(F)cc3Cl)OC2=O)cc1OC 2736852 VXQJLPSJVCUGFX-OMCISZLKSA-N 442.245 5.414 0 40 IKAB Cc1ccc(C(=O)NC[C@]2(C)C[C@@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C 2752491 KSIKJNIQBQLYQP-RBJSKKJNSA-N 434.624 5.665 0 40 IKAB C[C@@H](OC(=O)c1ccccc1C(=O)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 3504737 ZNJBEKGAJSBQSB-OAHLLOKOSA-N 441.405 5.120 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)C(=O)Nc2ccccc2C)cc1 6280263 GWWIPPDTJASOSZ-FQEVSTJZSA-N 442.588 5.594 0 40 IKAB Cc1cc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 6320631 DXTFSJQKMFHLSV-LJQANCHMSA-N 433.621 5.525 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ncc(Cl)cc3Cl)nc3ccccc32)cc1 8686298 YULXOLBQMJTMLE-UHFFFAOYSA-N 443.359 5.767 0 40 IKAB CCCCCCC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C 8738718 NKJYZYWCGKSMSV-WBVNWZSOSA-N 442.640 6.360 0 40 IKAB Cc1c(C(=O)c2ncc(C(F)(F)F)cc2Cl)nnn1-c1ccc(Cl)c(Cl)c1 8762092 NFYCJFGGVXFPIV-UHFFFAOYSA-N 435.620 5.181 0 40 IKAB Cc1c(CCC(=O)NCCc2ccc(F)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9199077 PCUHCKHBHTYMNC-UHFFFAOYSA-N 449.522 5.576 0 40 IKAB C[C@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@H]1n1c2ccccc2c2ccccc21 9245292 FPILFFLXHSKNOF-XYTTVBAYSA-N 446.550 7.424 0 40 IKAB CC(C)N1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)cc3)=NN12 9427328 FBULPKPHMSLOMY-NRFANRHFSA-N 440.385 5.193 0 40 IKAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 9471666 WHQPYOJPVUHTFT-UHFFFAOYSA-N 447.360 5.505 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)N2CCCC[C@@H]2C)nnc1-c1c[nH]c2ccccc12 9562913 JGJQDHWEHOWGRI-SFHVURJKSA-N 445.592 5.217 0 40 IKAB CCCCNc1nnc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)s1 9798887 MECWWKBRQUNWBM-UHFFFAOYSA-N 428.543 5.056 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1)c1ccccc1 10363695 GXWKKFCRNOKEJG-NRFANRHFSA-N 441.575 5.416 0 40 IKAB Cc1oc(-c2cccs2)nc1CSc1nnc(-c2cccnc2)n1Cc1ccccc1 11224023 XHVLZPYJZSBIGK-UHFFFAOYSA-N 445.573 5.706 0 40 IKAB CC(C)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)c1 11657935 JNKJIEABYWVINA-UHFFFAOYSA-N 435.574 5.301 0 40 IKAB COc1ccc2sc(N(CCCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc2c1 12141009 NDBKVBRYWRKGIK-UHFFFAOYSA-N 444.409 5.272 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)o1 12406815 VGEQJETVZCXMLG-STZFKDTASA-N 449.484 5.069 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4ccc(Cl)cc4C)c(=O)c23)s1 12747393 NIHZOYXTYMIINL-UHFFFAOYSA-N 429.954 5.095 0 40 IKAB CCOc1ccc(-c2nnc(S[C@@H](C)C(=O)c3ccc(Br)cc3)o2)cc1 12803550 DTSBYAVXOLVHJE-LBPRGKRZSA-N 433.327 5.261 0 40 IKAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1SC[C@H]1CCCO1 12862311 FGIBTPGNWVYDCF-QGZVFWFLSA-N 439.606 5.420 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)C(=O)N(C)Cc1cccc(F)c1 12911936 QJHDRGGJWABIJX-INIZCTEOSA-N 440.588 5.058 0 40 IKAB O=S(=O)(Nc1ccccc1NC(=S)Nc1ccccc1Cl)c1ccc(F)cc1 13043452 GOSSKRSDPNVNQS-UHFFFAOYSA-N 435.933 5.089 0 40 IKAB COCc1c(C(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)sc2cccc(F)c12 13108094 IYBQOMCZKHAVJO-UHFFFAOYSA-N 445.519 6.086 0 40 IKAB CCOc1ccccc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 13109598 OOBOXXWISHTQPS-UHFFFAOYSA-N 433.577 5.397 0 40 IKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2c(C)c(C)c(C)c(C)c2C)c2ccccc21 13858068 DADZMEGPNJPHAR-GDLZYMKVSA-N 441.571 5.545 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccccc3OCc3c(C)noc3C)sc2C)cc1 14014239 FRZFVTOPDVCCIO-UHFFFAOYSA-N 449.532 5.563 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 14396789 BGWHJTHEPOITMA-WOJBJXKFSA-N 444.575 5.881 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14397689 ZAFALWJTHPDQTD-UHFFFAOYSA-N 448.994 5.433 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 16451269 CDZIYQLDFWRBNF-HXUWFJFHSA-N 429.697 5.884 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1 16741939 MEQDVJOJROYLBQ-RUZDIDTESA-N 437.539 6.144 0 40 IKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O 16902463 YMCSKWXVNOOGND-SFHVURJKSA-N 439.987 5.663 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(I)cc1C 17099913 BXTRDFBFRHEBKE-UHFFFAOYSA-N 436.076 5.167 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc2ccccc2c1 18832905 GODJBDUSICRVNU-UHFFFAOYSA-N 435.911 5.361 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc(C3CCN(Cc4ccccn4)CC3)n2)c1 19401571 XJUNIWAOUPKZIG-UHFFFAOYSA-N 440.526 5.196 0 40 IKAB CCOc1cc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c34)CC2)ccc1OC 19531932 PUEDSJZKINZQHK-UHFFFAOYSA-N 449.473 5.337 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19642546 IEEJOJJMZLHHPZ-UHFFFAOYSA-N 444.943 6.787 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cc(C)cc(C)c4)cc3O)nc2c1 19643735 FVEKBOUENZOJPE-UHFFFAOYSA-N 445.544 5.506 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccc(F)cc2)cc1 19644242 CQLQHCFZIUSBBB-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(OCCSc2ccccc2)cc1 20459754 ARXZWIDUPRWYQG-QFIPXVFZSA-N 426.626 5.242 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1cccc2c(Cl)cccc12 20611575 KBCBQFHTEWVJPS-UHFFFAOYSA-N 445.744 5.345 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 22509490 VCMZCPLLXNAMMQ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CN3CCC[C@H](c4nc5ccccc5o4)C3)n2)c1 24668139 ZXSUYZHXFHPNGC-HNNXBMFYSA-N 428.414 5.276 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)n[nH]1)Nc1c(Cl)cc(Cl)cc1Cl 28831370 YARSFZYWUIDVIR-UHFFFAOYSA-N 448.162 5.816 0 40 IKAB Nn1c(SCc2csc(Cc3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl 31645332 AANBOJAPSVQPNA-UHFFFAOYSA-N 448.404 5.305 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)no1 32905873 OOUADIYVFPOWOI-UHFFFAOYSA-N 442.500 5.731 0 40 IKAB COc1cc([C@@H]2N[C@@H](C(=O)O)CS2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 33479399 ZIAKTJSAPIEARV-RHSMWYFYSA-N 448.755 5.023 0 40 IKAB CC(=O)Nc1sc(NC(=O)COc2ccc(C(C)(C)C)cc2)nc1-c1ccc(C)cc1 35671510 WIRPGEKZDOWJDX-UHFFFAOYSA-N 437.565 5.392 0 40 IKAB Fc1ccc(Cn2nc(-c3ccc(Cl)cc3)c(Cl)c2-c2ccc(Cl)cc2)cc1 36611537 HQVXARQZFQIUCW-UHFFFAOYSA-N 431.725 7.365 0 40 IKAB COc1ccccc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385038 GLQUHKMBQZXTDP-UHFFFAOYSA-N 435.915 5.137 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)c1 57581590 HPIPRMJKXXVSGH-UHFFFAOYSA-N 429.586 5.331 0 40 IKAB O=C(NCc1cc(-c2ccccc2)no1)Nc1cccc(NC(=O)Nc2ccccc2)c1 58167287 BYQGKUMVFIFVEX-UHFFFAOYSA-N 427.464 5.307 0 40 IKAB COc1ccccc1-c1noc(-c2cn(-c3cccc(Cl)c3)c(=O)c3ccccc23)n1 67245446 HARJUAAHIGJEHJ-UHFFFAOYSA-N 429.863 5.370 0 40 IKAB O=C(CNc1ccccc1Oc1ncc(Cl)cc1Cl)N1CCc2ccccc2C1 69417559 ACHCCXGHSZFSBK-UHFFFAOYSA-N 428.319 5.178 0 40 IKAB BrC1(Br)[C@H]2C[C@@]34CCCCCCCCCCCC[C@@]21C[C@H]3C4 71785837 QCLYBYFXWFMUIO-YDZRNGNQSA-N 432.284 7.584 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2[C@H](O)c2ccccc2)cc1Cl 72229993 WIFQOPVQQZSPRN-LJQANCHMSA-N 436.722 5.989 0 40 IKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(Cl)cc1)n2C(=O)N(C)C 96037376 CJCUASPVHDDMDU-UHFFFAOYSA-N 436.943 5.290 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1cc(Br)cs1 96103576 GGUUJOAXIDJEDF-UHFFFAOYSA-N 433.352 5.027 0 40 IKAB Cc1ccc([C@@H]2C=C(Nc3ccc(C)c(Cl)c3)C(=O)N2c2ccc(C)c(Cl)c2)cc1 103764439 HHLNZTCUJCWUDB-DEOSSOPVSA-N 437.370 7.003 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)cc1 106704283 BCMZYBUJBSDVIE-LSCVHKIXSA-N 427.323 5.475 0 40 IKAB CCOc1cc([C@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OC(C)C 222661998 RXCDRNCCRKPRCY-CZAAIQMYSA-N 446.016 5.900 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222956408 HTYDMXVCPDHRNB-LEWJYISDSA-N 445.419 5.952 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Br)cc2)cc1C(C)C 223323861 SSKGGAWJSLUSNF-HNNXBMFYSA-N 440.403 5.070 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 223643296 IWSQPDOOYIEGAA-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(Cl)cc1 223779717 SYGSLCJMIVTFBE-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224229035 HPFFTLKOQNHEEG-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1 224275297 FFEZBYPSXBESLR-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224315996 BRYCTCCMNCBBJX-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224343735 PPQNMHMGXRCPHP-QGZVFWFLSA-N 425.981 6.440 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(CN(CC)S(=O)(=O)c2ccc(C)cc2)cc1 224454320 WUCUPWFGWCVHLO-UHFFFAOYSA-N 436.577 5.021 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccn2)N1c1ccc(Cl)cc1 224454428 FEIWOXZQIVOFNI-FGZHOGPDSA-N 431.952 5.098 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 224523851 ZQTQCKQOLBVNET-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(-c3ccccc3)s2)c(Br)c1 224532323 VJMPSWLQTXBKPF-UHFFFAOYSA-N 446.370 5.283 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1F 224576017 TYJSKDPCOCHPEP-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1CSc1ccc(C)cc1 224668404 BWVNNNYVYJKBLK-NRFANRHFSA-N 433.617 6.437 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(C)cc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224841170 YTYUFDBPSFEIDQ-MHZLTWQESA-N 442.603 5.011 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cc(Cl)ccc1Cl 224877029 OSHCFTCVCOGXFT-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCN(c1ccc(Cl)c(C(F)(F)F)c1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937198 CVCZPBNMSUDTEG-UHFFFAOYSA-N 432.678 5.881 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225202507 LONLSYIDGFRAON-DLBZAZTESA-N 435.395 5.258 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 225338489 RSHFOTPTOZVCMQ-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCC[C@@H](C)C2)cc1 225652089 AVVRMCJSCIGUMF-GJZUVCINSA-N 432.649 5.892 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 225674002 IRXBYCIFDUDURM-HSZRJFAPSA-N 448.657 6.876 0 40 IKAB O=C(O)COc1cc(F)ccc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1 257258746 KVIPNQCTBCZDRC-UHFFFAOYSA-N 434.442 5.201 0 40 IKAB O=C(c1cccnc1-c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257261991 LJOPMLXABZBNTJ-HXUWFJFHSA-N 430.533 5.151 0 40 IKAB COc1cccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)c1 257290835 QENFDJXJLOUNTB-FQEVSTJZSA-N 446.547 5.103 0 40 IKAB CCCCC/C=C/C/C=C/C/C=C/C/C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 299888623 QVLMCRFQGHWOPM-NRAUZEMASA-N 439.640 7.163 0 40 IKAB COc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 408663539 AFFRWKIFVFEOOL-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)cc1 408695305 PTIRPSQVKJPIDN-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(OC)cc3)n2)cc1 408699701 VUAXMGODLRBZLP-UHFFFAOYSA-N 432.911 5.411 0 40 IKAB COc1cc2c(cc1NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1)CCCC2 408979599 NCXWPYWUTBCGEF-QHCPKHFHSA-N 428.532 5.074 0 40 IKAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(Cl)c2Cl)cc1 409108822 WHRUOFOMCQNPGF-UHFFFAOYSA-N 437.352 5.012 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCc1ccc(Br)cc1 409110625 FLCKPXLMZRLQGO-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 409411177 FDCATRBBJUTLOB-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)NCCc3ccccc3)c(=O)[nH]c2c1 884490 UJXOZGSNKFDEOF-UHFFFAOYSA-N 447.629 5.017 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(COc3ccccc3)n2-c2ccccc2)cc1 887824 VGAAUBXKLLDQCX-LJQANCHMSA-N 444.560 5.274 0 40 IKAB O=C(CSc1ccc(Cl)cc1Cl)N1CCC(c2nc3ccccc3s2)CC1 1392867 YEMNHTMAEPPCQS-UHFFFAOYSA-N 437.417 6.101 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)Cc1ccc(F)cc1 1803224 TWHYQGNOYVKRGL-UHFFFAOYSA-N 445.606 6.568 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cc(Cl)cc(Cl)c4)c(C)c3cc12 2095369 NVUYWUBBBZNSTE-UHFFFAOYSA-N 430.287 6.034 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccc(C)cc4)o3)ccc21 2184314 HCKQPEIMNRKZHB-UHFFFAOYSA-N 442.544 5.904 0 40 IKAB CC[C@H](C)c1ccc(OCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2203683 AJJKJLAORYJBQY-FQEVSTJZSA-N 442.559 6.055 0 40 IKAB Clc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2cccc(Cl)c2)cc1 2210980 HCWZUNFKDWVQDT-VMPITWQZSA-N 438.383 7.047 0 40 IKAB O=C(Nc1cccc(NC(=S)NC(=O)c2cc3ccccc3o2)c1)c1cccc(Cl)c1 2220068 AIUAOORWJZNDQD-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB CCOC(=O)c1cccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)c1 2222720 CWLWJMDIQVZSOO-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)c1 2314042 GEXBXPWJHWOLPD-UHFFFAOYSA-N 430.504 6.196 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cccc3ccccc23)cc1 2335277 KMDPTHNZISKSFH-UHFFFAOYSA-N 436.511 5.694 0 40 IKAB Cc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCO1 2662338 ZTWLQKUJESFQDI-IBGZPJMESA-N 429.973 5.257 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1 2742451 QOWOIOVVAQCZKC-UHFFFAOYSA-N 434.923 6.463 0 40 IKAB CCOc1ccc(C(=O)OCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1OCC 3238969 JTDCVPNMUWFHCD-UHFFFAOYSA-N 446.714 5.240 0 40 IKAB CC[C@@]1(C)C[C@@](CCNCc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 4027797 OCZJOJKHSMJOSE-UIOOFZCWSA-N 427.585 5.109 0 40 IKAB biogenic O=C(NCCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2)C12CC3CC(CC(C3)C1)C2 4350997 UVOICGWVASOGPR-UHFFFAOYSA-N 440.672 5.212 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)c1 5477836 XUXZMSUIHGSGOL-SFHVURJKSA-N 429.568 5.409 0 40 IKAB CCOc1ccc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)c(C)cc2c1 6134225 JKMLQOIETCBNRM-UHFFFAOYSA-N 440.653 6.528 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2)n1-c1ccc(C)cc1 6280145 VDNAFYFWZSDNKO-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(-c2cccc(C(F)(F)F)c2)o1 8424887 ADRHDECJZLDSNU-STZFKDTASA-N 433.385 6.463 0 40 IKAB COc1cccc(Sc2nc(-c3ccccc3)ncc2S(=O)(=O)c2ccccc2)c1 8873429 WGYOJBONGZTQET-UHFFFAOYSA-N 434.542 5.136 0 40 IKAB Cc1ccccc1NCc1ccc(N2N=C(c3ccccc3)C(C)(C)[C@H]2c2ccccc2)cc1 8997563 IHMVJDJBZLGPBN-SSEXGKCCSA-N 445.610 7.599 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3Cl)n(C)c3ccccc3c2=O)cc1 9327825 UYKQAXRUIUXASB-UHFFFAOYSA-N 437.326 6.073 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nnc(-c4cccs4)o3)cs2)cc1 9415443 YBTBOUIFRXRMJF-UHFFFAOYSA-N 428.564 5.037 0 40 IKAB CC[C@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccc(C)cc1 9507620 PPYCYVSSZKKEEL-NRFANRHFSA-N 438.597 5.203 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccnc2)N1c1nc2ccc(Cl)cc2s1 9581020 CBNPNQZKMLIOKZ-LJQANCHMSA-N 445.887 5.201 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(Br)cc23)cc1 9675948 RAPBRKHHZBHCNO-UHFFFAOYSA-N 448.751 6.965 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)Nc1cc(Cl)ccc1Cl 9684424 ZKUCCVAJMFAKHH-UHFFFAOYSA-N 425.366 5.379 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1cccc(-c2nnc3n2CCCCC3)c1 9723890 KUVMNNVQVOKCNU-UHFFFAOYSA-N 447.539 5.115 0 40 IKAB Cc1nc(C(=O)N2CCc3sccc3[C@H]2c2cccs2)nn1-c1ccc(Cl)cc1 9835674 YWWZBZDJFKTFQF-IBGZPJMESA-N 440.981 5.140 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1c(-c2ccc(F)cc2)nc2sccn12 9865376 VEOCGZCZPIFNDX-UHFFFAOYSA-N 436.295 5.526 0 40 IKAB C[C@@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 9950450 YSJJVODPJBBMBO-QGZVFWFLSA-N 441.560 5.461 0 40 IKAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 10059098 BNHKMEOECRKBCL-AREMUKBSSA-N 433.935 5.218 0 40 IKAB CCCCc1ccc(Nc2nc3ccccc3nc2Nc2cc(C)nn2-c2ccccc2)cc1 11692205 ASAZKRXVRXIQNF-UHFFFAOYSA-N 448.574 6.954 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 11852409 VJHLFWOTGNAVHC-QGZVFWFLSA-N 449.985 5.385 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(CSc4ccccc4)o3)cc2C)CC1 12537849 RFVGPRPRVFOIDM-UHFFFAOYSA-N 435.593 5.275 0 40 IKAB FC(F)(F)c1cccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccc(Cl)cc2)c1 12560047 HLCUPGARALTAIB-SLMZUGIISA-N 444.909 7.170 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nc3cc(Cl)ccc3c3c2CCCC3)cc1 12881887 BMHHZJNJBNLISW-UHFFFAOYSA-N 439.968 5.456 0 40 IKAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12980771 OZNAXPSWDFVRPC-SJCJKPOMSA-N 442.928 5.052 0 40 IKAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13026797 QZYYNGIXSZRFAF-RUZDIDTESA-N 430.548 5.285 0 40 IKAB CCCCc1ccc(NC(=S)n2cc(C(=O)c3cc(Cl)cc(Cl)c3O)cn2)cc1 13073033 XYDCNPFFDALUJG-UHFFFAOYSA-N 448.375 5.714 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c1 13098924 SPNFWEUDQZPCOT-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(S[C@@H](C)C(=O)NC2CC2)n1C1CCCCC1 13113241 RLPWZPHDQLRAKD-HNNXBMFYSA-N 449.020 5.083 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n12)CC[C@@H](C)C3 13499788 NIYCQONFMOTROQ-GFCCVEGCSA-N 440.569 5.140 0 40 IKAB COc1cc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1cccc(Cl)c1 13995209 DCKVUPNHJDOTSQ-RBZFPXEDSA-N 443.956 5.122 0 40 IKAB Cc1nc(Cc2nn(CN3CCc4sccc4[C@H]3c3cccs3)c(=S)o2)cs1 14181833 ASPBYHZZWMTMMA-SFHVURJKSA-N 446.648 5.290 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Cl)c(Cl)c2)c(Br)c1 14649521 PIJWBBMCBRFVEU-UHFFFAOYSA-N 431.157 6.071 0 40 IKAB O=C(OCc1ccc(F)cc1Cl)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2 16045078 ZJOIBOYJXMBYMX-SSZFMOIBSA-N 447.893 6.854 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2cccc(-c3ccccc3F)c2)ncc1C(=O)N(C)C 19765597 ALDDLPNGDFWPKV-DEOSSOPVSA-N 432.543 5.020 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3nnc(-c4ccoc4C)o3)[C@@H](c3ccco3)C2)cc1 21171676 LINDDPAMKZXBDQ-LJQANCHMSA-N 448.504 5.009 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21624404 DHPCGPCARNXPCJ-GJZUVCINSA-N 442.559 5.064 0 40 IKAB Fc1ccc(OCc2nc(CN3CCC[C@H](c4nc5ccccc5s4)C3)cs2)cc1 24971438 LBSGWBCBPSXUBA-INIZCTEOSA-N 439.581 5.851 0 40 IKAB Cc1c(C(=O)NCCc2csc(-c3ccccc3)n2)oc2ccc(Br)cc12 28288578 LLBFNCQSEHGFLZ-UHFFFAOYSA-N 441.350 5.600 0 40 IKAB O=C(c1cccs1)N(Cc1ccc(OCc2ccc(Cl)cc2)cc1)c1ccccn1 28289154 IYDOZFKJVSLCLY-UHFFFAOYSA-N 434.948 6.223 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)NC[C@H](c1ccccc1Cl)N1CCCC1 32841401 MXWQIQAJGINEMD-LJQANCHMSA-N 432.014 5.021 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)c1 44947640 STXYJWWGPNCLFT-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CSCC[C@@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1 50742401 GTRHHUCOSCOYPH-HXUWFJFHSA-N 436.606 5.148 0 40 IKAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 58180001 LFINGFXWIIAQPB-UHFFFAOYSA-N 442.437 5.730 0 40 IKAB CC1(C)CC[C@@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 71789659 JFSHUTJDVKUMTJ-XIVGSBGFSA-N 426.729 8.169 0 40 IKAB in-vitro Cc1csc(SCc2c(C(=O)N3CCC4(CCOCC4)C3)oc3ccccc23)n1 72304603 NFBKCKPXOLPBIX-UHFFFAOYSA-N 428.579 5.133 0 40 IKAB CNc1ncccc1CN1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358228 IJHJGWNWYKTLTG-JOCHJYFZSA-N 426.486 5.465 0 40 IKAB Cc1c(-c2nnc3sc(CC(c4ccccc4)c4ccccc4)nn23)oc2ccccc12 96194292 FZGQYEJJJVFZTA-UHFFFAOYSA-N 436.540 6.282 0 40 IKAB O=C1c2c(sc3c2CCC(Br)(Br)C3=O)N=C2CCCCC[C@H]12 101313602 HYRJGLHHFNQNQX-QMMMGPOBSA-N 445.176 5.212 0 40 IKAB Cc1ccccc1N1C(=O)C[C@@H](Sc2cccc(NC(=O)Nc3ccccc3)c2)C1=O 113564294 JNCVQTQHGDTRMM-OAQYLSRUSA-N 431.517 5.063 0 40 IKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(N)c12 215735552 RTRFPQQGTMKOEO-UHFFFAOYSA-N 435.349 5.357 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 218876481 AAKATDMMABRHBK-UHFFFAOYSA-N 432.358 5.911 0 40 IKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)(C)C)c1 222744090 BNERZSRPGCOEGR-NRFANRHFSA-N 430.592 5.413 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 222890614 GODMKFKOOGCCGQ-RUZDIDTESA-N 438.612 5.083 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222909210 DYUQFSBZFIGBDJ-NHCUHLMSSA-N 433.606 5.111 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222918848 XPLSNVDUFXGZNV-VWLOTQADSA-N 444.575 5.710 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 223328608 QMUQCDOPKAGYCN-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 223474701 PHHHJGHGBZTPMZ-DHIUTWEWSA-N 446.963 5.563 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 223694445 YJKXMJSGPCEONN-SANMLTNESA-N 436.640 5.775 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223704970 ODGICDSXVVUDIH-DEOSSOPVSA-N 440.653 5.509 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 223854352 MEQJGGIGYYZUGV-DQEYMECFSA-N 446.620 5.888 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(COc3cccc(Cl)c3)c2)cc1 224493550 WGWFFJSHLMNRAA-UHFFFAOYSA-N 437.967 6.913 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccc(Cl)cc1 224500243 SUNIHPPEHAAZNB-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1Cc1ccco1 224595836 GFSPSTCSSRWDOY-BJKOFHAPSA-N 444.560 5.024 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccc(C)c(C)c1 224622513 VZLNDCUKXZWZMS-UHFFFAOYSA-N 435.520 5.551 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)c(Cl)c1 224997072 XYIXRVARWYURLY-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)[nH]1 225362549 XYIOFSDQWMLDOX-DNQXCXABSA-N 432.593 5.525 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225570716 DGTAZTPRZICFGN-LJQANCHMSA-N 429.004 5.338 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)cc1Cl 225679638 FSHVUMLKPLIFFW-SFHVURJKSA-N 432.973 5.414 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCC(C)(C)OC)c(Cl)c1 225697552 GHBKGUKMFZASRS-UHFFFAOYSA-N 442.040 6.340 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 225709459 ZMKXDRDBPQTAAJ-SFHVURJKSA-N 437.561 5.366 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C 252484670 GEAJDSGHPSGJJZ-UHFFFAOYSA-N 446.576 5.266 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NCCSCc1cccc(Cl)c1 408547542 ZNDGTCYMBDLGQE-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB O=C(COc1cccc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)c1)Nc1ccccc1 408555048 FPSRCNHQWNVJPO-HSZRJFAPSA-N 438.936 5.136 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1NC(=O)c1ccc(C)cc1 408556581 IQMJSYQDEJWFRO-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Cl)cc3Cl)c2)cc1Cl 408607355 LFJKURBDXHZRPF-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1NC(=O)c1ccc(Cl)cc1 408611348 VYHNPGJSZAEMOK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1ccc(N(Cc2cccc(Cl)c2)S(=O)(=O)c2ccc(OC)cc2)cc1 408628609 ZIZGBJDBZIFAFO-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB O=C(O)/C(=C/c1ccc(N2CCCCCC2)o1)Sc1nnc(-c2ccc(Cl)cc2)o1 408634106 PDMWVFOBQBQYPP-LGMDPLHJSA-N 445.928 5.581 0 40 IKAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408641091 JPTVWDRWLAUVRY-IBGZPJMESA-N 430.504 5.096 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(Cl)c2)cc1 408696856 FIGMGSMILTYLKT-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408697782 JKEMOTZGMIQWIE-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 409104276 HDQATTIBCVYFRE-UHFFFAOYSA-N 435.980 6.587 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 643588914 MDJMYVJGVGMCTH-UHFFFAOYSA-N 438.999 6.080 0 40 IKAB COc1ccc([C@H]2CC(c3cccc(NC(C)=O)c3)=Nc3ccccc3S2)cc1OC 646192 HKFVANYKMNCOCC-RUZDIDTESA-N 432.545 6.020 0 40 IKAB CSc1ccccc1NC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 646291 IFEXUELVHJBDBD-UHFFFAOYSA-N 439.242 5.524 0 40 IKAB COC(=O)c1c(C)n(CCOc2ccc(C(C)(C)c3ccccc3)cc2)c2ccc(O)cc12 717183 LJGZTNTUJLZFKW-UHFFFAOYSA-N 443.543 5.847 0 40 IKAB Cn1ccnc1SCC(=O)N1c2ccccc2[C@@](C)(c2ccc(Cl)cc2)CC1(C)C 847502 QSBMIVRKDIKZFV-XMMPIXPASA-N 440.012 5.687 0 40 IKAB COc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc2c1 1339487 PPPONQRNPIBOGC-UHFFFAOYSA-N 429.347 5.532 0 40 IKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3cccc(Cl)c3Cl)c2c1C 1377396 UPBCVVXRXZNKJB-UHFFFAOYSA-N 438.405 6.223 0 40 IKAB O=C(Oc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1C(=O)c1ccccc1 2077937 HOMNFFAXCAXEID-UHFFFAOYSA-N 444.490 5.990 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 2084711 LDHUOWICCAGBSE-QGZVFWFLSA-N 426.626 5.938 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2085831 XTBMDYYBTMHVML-UHFFFAOYSA-N 439.259 6.195 0 40 IKAB CC[C@@]1(C)Cc2ccccc2-c2nc(SCCC(C)C)n(CCc3ccccc3)c(=O)c21 2392150 ZLJRUXPGTDLMAP-NDEPHWFRSA-N 446.660 6.515 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(C(=O)Nc2c(CC)cccc2CC)c1 2745998 KUOCHFPOMDBZKD-UHFFFAOYSA-N 428.576 6.441 0 40 IKAB COCc1c(C(=O)OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)oc2ccccc12 3446069 YMJQFARYVKWFJB-UHFFFAOYSA-N 441.789 5.047 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H]3c4cc(Br)ccc4O[C@]2(C)[C@@H]3C)cc1 4767720 CDYJOPUBMFPEPU-ZQBYOIRZSA-N 433.371 5.028 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccccc3)c3ccccc23)C1=O 8395940 OOUBGMVQDRRIIS-WMRWHDLOSA-N 433.533 5.115 0 40 IKAB CCc1ccccc1NC(=O)c1sc2nc3c(cc2c1N)CN(Cc1ccccc1)CC3 8599316 KQJQCBGJJHTWKK-UHFFFAOYSA-N 442.588 5.252 0 40 IKAB COc1ccc(CC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1F 8718629 IJSSRGXBRRMIGZ-UHFFFAOYSA-N 446.400 5.287 0 40 IKAB CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2ccc(C)cc2C)c2c(C)oc(C)c12 8762542 NIGPNYPMELFVPR-BYNJWEBRSA-N 443.543 6.679 0 40 IKAB biogenic CC(=O)Nc1cccc(C(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)c1 8986924 HGYWQMJKNPQTIM-UHFFFAOYSA-N 425.282 5.452 0 40 IKAB CCc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 9064841 QTIDVXAOFGUPNB-CSKARUKUSA-N 445.371 6.342 0 40 IKAB CC(=O)Oc1ccccc1C(=O)Oc1ccc2c(c1)c(C(C)=O)c(C)n2-c1ccc(C)cc1 9183464 FIJRAIWSTKWCFM-UHFFFAOYSA-N 441.483 5.594 0 40 IKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1ccc2ccccc2c1[C@@H]3c1ccccc1 9281918 PUFNMLBADQQUSE-DEOSSOPVSA-N 440.506 6.539 0 40 IKAB Cc1cccc(Cn2cc(SCC(=O)Nc3nc4ccccc4s3)c3ccccc32)c1 9391736 HGSWARARQPFHAW-UHFFFAOYSA-N 443.597 6.339 0 40 IKAB Cc1cccc(-c2nsc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)n2)c1 9404020 LGDWZJXEYZLMPI-UHFFFAOYSA-N 443.903 5.917 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4s3)[C@H](c3ccco3)C2)cc1 9730140 SAXQCKVLTJAQCM-IBGZPJMESA-N 449.557 5.368 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)C(=O)Nc1ccccc1O2 9827863 HAMSEAGWYLJVCR-UHFFFAOYSA-N 429.259 5.369 0 40 IKAB COc1ccc([C@@H]2C(C(=O)Nc3ccc(F)cc3)=C(C)Nc3nc4ccccc4n32)cc1 10060180 QPBADGMFHNMSAE-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)c1 11866308 LJRNORISHLELCB-UHFFFAOYSA-N 443.503 5.428 0 40 IKAB biogenic Clc1cc(CSc2ccccc2)nc(SCc2c(Cl)cccc2Cl)n1 12338422 FNSZDDJMZVFYKK-UHFFFAOYSA-N 427.809 7.021 0 40 IKAB O=C(CCC1CCCCC1)Nc1cc(C(F)(F)F)ccc1Oc1ccc2c(c1)OCO2 12428467 GBZMNOUWIMODCG-UHFFFAOYSA-N 435.442 6.525 0 40 IKAB Cc1ccc(NC(=O)Nc2nc(-c3ccccc3)cn2NC(=O)Nc2ccc(C)cc2)cc1 12524804 YISBBTYWCAMBLR-UHFFFAOYSA-N 440.507 5.587 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c(C)n1Cc1ccccc1 12541501 VOIKPIJPASJXAW-UHFFFAOYSA-N 440.543 5.553 0 40 IKAB c1cncc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)c1 12624322 FYOQWLPGRVXDEO-UHFFFAOYSA-N 434.528 5.495 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2cccc(C)c2C)c2ccccc2)c1 12800317 QKXNLIOCEVAIJW-QHCPKHFHSA-N 443.576 5.368 0 40 IKAB COc1ccc(-c2nnc([C@H](C)OC(=O)c3c4c(nc5ccccc35)CCCCC4)o2)cc1 12933853 POKYEVGEHWIPQJ-INIZCTEOSA-N 443.503 5.480 0 40 IKAB Cc1ccc(C)c(OCc2nnc(SCc3nnc(-c4ccccc4Cl)o3)o2)c1 12972181 MXUBWPMUIBNJDL-UHFFFAOYSA-N 428.901 5.261 0 40 IKAB COC(=O)c1ccc(CSc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)cc1 13095176 IUCILAWPVHKFLO-UHFFFAOYSA-N 436.920 5.118 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccncc2)c1 13283370 QEDVFNWZHXNGOB-UHFFFAOYSA-N 448.567 5.461 0 40 IKAB FC(F)(F)c1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1 13303667 YNLJNPLWLYFWRX-UHFFFAOYSA-N 438.499 7.514 0 40 IKAB CC(C)(C)c1csc(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)n1 13502522 VVUIZZGNHCGUGH-UHFFFAOYSA-N 440.638 6.162 0 40 IKAB COc1cc(-c2nc(-c3ccc(Br)cc3)c(-c3ccccc3)[nH]2)cc2c1OCO2 13563936 KEHSNGBOVHVXGW-UHFFFAOYSA-N 449.304 5.911 0 40 IKAB CN(C(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 13647671 AVKDJEGWEJSQIA-XMMPIXPASA-N 436.964 5.391 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)CCc4cc(Cl)no4)cc3c2C)cc1 13722489 USCYZVFMICSNLT-UHFFFAOYSA-N 438.867 5.194 0 40 IKAB biogenic CCCCOc1cccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)c1 13954925 ZQHBGNXWJIXYOS-UHFFFAOYSA-N 436.964 7.048 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2ccc(C(C)(C)C)cc2)cc1 13997983 XSXHVGULZAXMOM-UHFFFAOYSA-N 436.577 5.654 0 40 IKAB O=C(CCSc1nc2ccccc2s1)N1CCC[C@H]1c1nc2ccccc2s1 14108360 BCPPPQZKUJMDLN-INIZCTEOSA-N 425.604 5.752 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cccs1 14240706 IZEJJJFRZBXQRS-HXUWFJFHSA-N 436.577 5.034 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccco3)cc2)cc1 14413230 BKYKWJSFSPETBM-RUZDIDTESA-N 434.561 5.649 0 40 IKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2c(C)c(C)c(NS(=O)(=O)c3ccccc3)cc12 16807634 BXVDFEABQPTKRL-UHFFFAOYSA-N 446.572 5.868 0 40 IKAB CC(C)(C)C(=O)[C@H](Oc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)Nc1ccccc1 18173348 WQYMXSDLXWSBIZ-INIZCTEOSA-N 447.375 5.726 0 40 IKAB CCn1ncc(Cl)c1C(=O)NC1CCN(C[C@@H](c2ccccc2)C2CCCCC2)CC1 19523996 IQGDOQGHZUEBCB-QFIPXVFZSA-N 443.035 5.115 0 40 IKAB C[C@H]1CCCCN1c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20357905 MARBSGDQHNVKPY-HNNXBMFYSA-N 437.613 5.070 0 40 IKAB COc1cc(NC(=O)c2ccccc2Cl)c(-c2nc(-c3ccccc3)no2)cc1OC 20724795 ORXCKYBSSCBGJZ-UHFFFAOYSA-N 435.867 5.327 0 40 IKAB CCC[C@@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O 21936144 VUHSNAVHHDKHNF-PMACEKPBSA-N 448.592 5.213 0 40 IKAB CCN(CC)CCNCc1cc(Br)ccc1OCc1ccccc1Cl 22075493 GZOUDUVEKLWLQP-UHFFFAOYSA-N 425.798 5.113 0 40 IKAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OCc1ccc(Cl)cc1 22075652 CNWTYADZZDATSN-UHFFFAOYSA-N 425.400 5.403 0 40 IKAB C[C@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 23701669 GUNOVFLKJVZLSK-CQSZACIVSA-N 436.865 5.292 0 40 IKAB COc1ccc(-c2c(-c3ccc(OC)cc3)[n+](-c3ccc(OC)cc3)c3n2CCC3)cc1 26506961 YIEZFHPQTFTWMP-UHFFFAOYSA-N 427.524 5.071 0 40 IKAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 28284403 MHJHJJAEWMNNQZ-UHFFFAOYSA-N 449.345 5.654 0 40 IKAB O=C(CSc1nncn1-c1cccc(Cl)c1)Nc1cccc(/C=C/c2ccccn2)c1 31942865 MQNBMFALGQYBSI-ZHACJKMWSA-N 447.951 5.217 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)c1ccc(NS(=O)(=O)c2cccs2)cc1 32017356 AUDIEJMUMVWTGE-UHFFFAOYSA-N 442.562 5.123 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(Br)c3)o2)cc1C 33423111 KCPXAAYSZJXHND-UHFFFAOYSA-N 429.339 5.453 0 40 IKAB O=C(O[C@H]1CCCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33659921 DEHZCYYVAQTCHX-GBKYUFMXSA-N 441.483 5.119 0 40 IKAB CN(C)c1ccc(/C=C2/S/C(=N/c3cc(C(F)(F)F)ccc3Cl)NC2=O)cc1 35647706 PVEWWTSERBNDPI-CXUHLZMHSA-N 425.863 5.316 0 40 IKAB CC(C)=CCc1cc(/C=C2\OC(=O)C(c3cc(CC=C(C)C)c(O)cc3O)=C2O)ccc1O 39559710 IAHWCROWFXOMDG-MSXFZWOLSA-N 448.515 5.688 0 40 IKAB biogenic CC(C)Sc1ccccc1C(=O)N1CCN([C@@H](C)c2nc3ccccc3s2)CC1 39980589 GLPODVKFDGYURW-KRWDZBQOSA-N 425.623 5.316 0 40 IKAB Clc1cccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)c1 45925321 HUNCVIPUBRYTNN-UHFFFAOYSA-N 430.758 6.105 0 40 IKAB CC(C)[C@@H](c1nnnn1C1CCCCC1)N(Cc1ccc(Cl)cc1)Cc1ccco1 57614108 MBMVAAVBTNIEST-QFIPXVFZSA-N 427.980 5.824 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Cl)cc1Cl 59056486 UMFXRZCOLMSAGV-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB COc1ccc(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 59109304 ZUGFLZKDANKNJX-UHFFFAOYSA-N 438.574 5.244 0 40 IKAB O=C(Cc1ccncc1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349457 RDJVVZVVDSMEDB-FQEVSTJZSA-N 439.481 5.035 0 40 IKAB O=C(NC[C@H](Cc1cccc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 95749329 QRVQYTUVBNAWEX-KRWDZBQOSA-N 435.907 5.122 0 40 IKAB COCCOc1ncccc1C(=O)Nc1ccc(N[C@@H](C)c2ccccc2)c(Cl)c1 97543036 HJESGNDGVCMNOB-INIZCTEOSA-N 425.916 5.186 0 40 IKAB CC[C@@]1(C(=O)c2ccc(Cl)cc2)[C@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 100156325 LCHKXPXWDLBGEY-NYMACZPPSA-N 445.902 5.261 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 222743968 HPHSIXFSPHPEOR-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222943888 OFIOPKIEYPSXEQ-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCCC1 223112466 MKEMVBKSEBNDQK-PKTZIBPZSA-N 435.618 6.131 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 223698298 GRNFSFCXSOGDDH-HHHXNRCGSA-N 444.619 5.805 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 223792636 FQWOBYSGBKPEQN-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NCC3(c4ccccc4)CCCCC3)cn2)C1 223993561 NABYBLWTXOMJRJ-SFTDATJTSA-N 436.669 5.752 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3)c2)cc1 224092805 DHKXZIMGCDIYAD-UHFFFAOYSA-N 433.504 5.483 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(Cl)c1 224490660 BKIMXKAHFHSSJC-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccc(C(C)(C)C)cc1 224526687 ZQBGJEPCDZAKIG-UHFFFAOYSA-N 445.603 7.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225055051 OCZHLNXLZOHAQO-FGZHOGPDSA-N 440.653 5.177 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225253144 KNTGDXCNWYGFQP-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257281075 ONMJXFPPRPYKMD-SFHVURJKSA-N 444.988 5.483 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(CC)cc2)ccc1OCc1ccc(Cl)cc1 408577820 UNGZVTBUKXXUON-UHFFFAOYSA-N 440.008 6.345 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(Br)ccc1OCc1ccccc1 408589090 YNRCPUDADPCPHG-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2F)ccc1OCc1ccccc1 408624258 VDKDGTGKRNRXGK-UHFFFAOYSA-N 444.300 5.818 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)n1 408700241 ZYJFDHQWCNFNQF-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)cc1 408783509 MASDICHHNXAJPU-AFHVAHMMSA-N 445.371 6.415 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1C 409098045 NDXNEQIFYSBPGC-UHFFFAOYSA-N 428.989 5.602 0 40 IKAB CCCc1sc2nc(SCc3cccc(Cl)c3)n(-c3ccccc3)c(=O)c2c1C 409111222 BNPVAMSABFKLDK-UHFFFAOYSA-N 441.021 6.654 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)cc(Br)c1OCc1ccccc1 409111632 DGBXYWAQDMZZKC-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)c2ccccc21 409112548 DWUMEWJFJUAJGK-JWGURIENSA-N 448.360 6.325 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)cc1Cl 409114538 HACJKNGCBFPRDH-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 409121425 WVYDSHOPXLSBTH-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccccc3)o2)C(=O)N1Cc1cccc(Br)c1 409156555 GIKSHYTZMWCZNS-UNOMPAQXSA-N 440.318 5.946 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)cc1 409200226 HPVMGLIVXKJKRD-HMAPJEAMSA-N 445.544 5.034 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1 409200539 IAVHGQFYEVFDEL-UHFFFAOYSA-N 441.000 5.255 0 40 IKAB CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(COc3ccc(Cl)cc3)c2)s1 651031 URSLKGGFCHETNT-UHFFFAOYSA-N 428.941 5.455 0 40 IKAB Cc1cccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)c1 1367028 DBACRDYWNDBBOL-HXUWFJFHSA-N 436.449 5.220 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1cccc(Cl)c1 1807233 XWUQGNFASQOHSZ-UHFFFAOYSA-N 439.342 6.230 0 40 IKAB CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Br)cc2)cc1 1817798 KQHQCJSMZUACPU-FQEVSTJZSA-N 425.351 5.942 0 40 IKAB CCCCc1nc2sc3c(SCC(=O)Nc4ccccc4)ncnc3c2c2c1CCC2 2342881 ZZRKWYZSCXCGNX-UHFFFAOYSA-N 448.617 5.802 0 40 IKAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1 2617177 IKESYZMLOFYGFG-UHFFFAOYSA-N 433.813 5.821 0 40 IKAB C[C@@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(C)(C)C)cc1 3230550 CZGCWMKENLTMTP-SFHVURJKSA-N 426.025 6.973 0 40 IKAB CCOC(=O)c1oc2ccccc2c1CSc1nnc(NCc2ccccc2)s1 3277191 LNLJMNMIDNUVQQ-UHFFFAOYSA-N 425.535 5.365 0 40 IKAB O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(N2CCCCC2)cc1 3297542 QALKSKAJZWOYCZ-UHFFFAOYSA-N 431.631 5.004 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)/C=C/c2ccc3c(c2)OCO3)c2ccccc21 3329895 XSJGWENREFWMRM-WYMLVPIESA-N 439.467 5.013 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)c1C 3393896 HSLIJCJEQQPQKA-UHFFFAOYSA-N 432.501 5.151 0 40 IKAB CC(C)c1ccc([C@@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 3670064 ISWSLZYHGGNYOV-DEOSSOPVSA-N 437.370 7.201 0 40 IKAB CCCCOc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccc4)n3)n2)cc1 8717901 PRGYMIKAOWCQRK-UHFFFAOYSA-N 449.601 6.294 0 40 IKAB OCCCn1c(-c2ccc(OC(F)F)cc2)cs/c1=N\c1ccc(OC(F)F)cc1 8751874 DVFNHLONRJXTPG-QQTULTPQSA-N 442.434 5.034 0 40 IKAB CC(=O)C1=NN(c2cccc(C)c2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 8837854 DNGZRQVACJLMBH-RUZDIDTESA-N 426.545 5.505 0 40 IKAB CC(C)COc1cccc(-c2nc3sc(-c4cccc(OCC(C)C)c4)nc3s2)c1 8893358 BVERSWGVYXWIEP-UHFFFAOYSA-N 438.618 7.156 0 40 IKAB COCCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nc2ccccc21 9073960 BDIAXFYNADBAFZ-UHFFFAOYSA-N 444.771 5.374 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)cc1 9122077 GELAIDRTICEJSY-NFBKMPQASA-N 441.369 5.586 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccncc3)sc2c1 9233656 FSUKOXUTGIAENT-OAQYLSRUSA-N 439.496 5.164 0 40 IKAB Cc1ccc(CNC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 9468010 UKCNEPYJSDKPPE-UHFFFAOYSA-N 429.954 5.322 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Nc1ccc(N2CCCC2=O)cc1)c1ccccc1 9835792 IWHYKPBWINJVLD-RUZDIDTESA-N 429.520 5.004 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)c3nnc(-c4ccccc4)o3)n2CC(C)C)cc1 9867024 WFKZKBNKLIZETP-INIZCTEOSA-N 435.553 5.513 0 40 IKAB Cc1ccccc1-n1c(SCc2ccc(Cl)cc2)nc2c(oc3ccccc32)c1=O 9939346 DGMZGGSWHGOAIO-UHFFFAOYSA-N 432.932 6.386 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1cccc(Cl)c1 10368738 WFMGTLIQJQKNQD-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)c1 11444610 PGZIKWWSICQHGE-UHFFFAOYSA-N 430.863 5.163 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)C2=O 11667472 LJQHVTRFOZQNII-IGBFYBLQSA-N 444.537 6.592 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195624 ZGCRFNMTSNYNAW-ILBGXUMGSA-N 434.923 5.990 0 40 IKAB COc1cc(CNCc2cccnc2)cc(Br)c1OCc1ccccc1Cl 12418905 DQDZQGHYXJKMOK-UHFFFAOYSA-N 447.760 5.375 0 40 IKAB CCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(O)c1 12587747 IXQIINIDLBMHEC-UHFFFAOYSA-N 430.554 6.599 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl 12600608 RVXLAJWXRNFIQJ-IFIJOSMWSA-N 431.754 5.263 0 40 IKAB FC(F)(F)c1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 12617488 WTXRAXOOLHNSNI-UNMCSNQZSA-N 428.841 6.601 0 40 IKAB Cc1csc(SCc2c(C(=O)N[C@@H]3CCOc4ccccc43)oc3ccccc23)n1 12798313 PIPYFLMAAKLLLP-GOSISDBHSA-N 436.558 5.744 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N4CCN(C)CC4)cc3)o2)cc1Cl 12843023 BECQFNHALMTAOA-ZRDIBKRKSA-N 435.955 5.312 0 40 IKAB CC(=O)N(c1nc(CSc2ncnc3sccc23)cs1)c1ccc(F)cc1F 12940492 VUNVZUUCTBDCAJ-UHFFFAOYSA-N 434.518 5.403 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCC3)cc2c1 13513931 BJYOKMWSJFZUKO-UHFFFAOYSA-N 442.390 7.135 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 13958757 SXKMWEOMQBWTMA-UHFFFAOYSA-N 426.541 5.676 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(OC)c2)nnc1-c1ccc(Cl)cc1Cl 14070130 AMCHWLBUKUEVHL-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB COc1c(Cl)cc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Cl 14270766 GSCRNQMYVVXMKH-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 16895438 IJTYKXFPGLWESJ-CQSZACIVSA-N 448.573 5.436 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(Cl)c(Cl)c1 17103170 CSICRBGZHVGBSL-UHFFFAOYSA-N 439.346 6.411 0 40 IKAB FC(F)Sc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3-c2ccccc2)cc1 17200382 KAXJTLDCQKSXCO-UHFFFAOYSA-N 438.507 5.474 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCCN3C(=O)c3cc(C(C)C)on3)cc2N1 19520622 XPEWYRSEPXAZOX-MZMPZRCHSA-N 439.482 5.060 0 40 IKAB CCc1nnsc1C(=O)N1CCC(c2cc(Cc3ccc(Cl)cc3)cc(C)n2)CC1 19691883 WRGPWWHEYSCBDY-UHFFFAOYSA-N 441.000 5.068 0 40 IKAB CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CCN(Cc1ccccc1)C3 20102307 SWRSRPPRIQCXJN-UHFFFAOYSA-N 433.602 5.036 0 40 IKAB CCc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20213696 VWVRRUYDGIAYCW-OAQYLSRUSA-N 432.911 5.864 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 20549796 JRZRNWYMNJRVQK-HOTGVXAUSA-N 449.956 5.463 0 40 IKAB CCOc1cccc2c1Oc1nc(-c3cc(Br)ccc3OC)[nH]c(=S)c1C2 20861659 GPIUBAPCMZIANK-UHFFFAOYSA-N 445.338 5.672 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccccc2)cc1Cl 22275080 PUTNUNYNMZVHOB-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2ccc(Cl)cc2)cc1 22276112 SAOYWGRYEGYPOI-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc([C@H]2SCCN2C(=O)Nc2ccc(Cl)cc2)cc1Br 28232317 HWBVDJBRLDFTAH-MRXNPFEDSA-N 427.751 5.391 0 40 IKAB CSCC[C@H](NC(=O)Cc1sc(C)nc1-c1cccs1)c1nc2ccccc2[nH]1 32990912 JTPLRXYXNZWYSE-INIZCTEOSA-N 442.635 5.209 0 40 IKAB COc1cc(/C=C2/C(=O)N(c3cccc(C)c3)C(=O)c3ccccc32)ccc1OC(F)F 33039505 OREPVZFZUBQAIQ-DEDYPNTBSA-N 435.426 5.333 0 40 IKAB O=C(O)c1ccc(Cn2cc(/C=C3\SC(=O)N(c4ccccc4)C3=O)c3ccccc32)o1 33651283 OJMWCOZVJMBVAG-MTJSOVHGSA-N 444.468 5.222 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 34138839 DTFVQLHCRPOFPV-RDGATRHJSA-N 446.478 5.253 0 40 IKAB COc1ccc(Cl)cc1C(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 35086504 NEVJWSMUUPAYPL-UHFFFAOYSA-N 438.380 5.119 0 40 IKAB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 35646274 INEQPPHIEOOFPU-ODLFYWEKSA-N 429.328 6.644 0 40 IKAB COc1ccc(-c2cc(N[C@@H](C)C(=O)Nc3ccccc3C(F)(F)F)ccc2OC)cc1 40002634 WHJOQNQPQJZMCW-HNNXBMFYSA-N 444.453 5.829 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 41076882 FILOBAKUVLONIB-UHFFFAOYSA-N 442.371 6.122 0 40 IKAB CN(C)c1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCCCC3)c(C(F)(F)F)c1 58407546 VABPYFWCLCPLCG-UHFFFAOYSA-N 442.485 5.478 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)c1 59179513 HTOSDEXOXJHZQZ-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB CCN1c2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cc2-c2ccccc2S1(=O)=O 65315073 LADWMJNWMKPAEQ-UHFFFAOYSA-N 446.450 5.153 0 40 IKAB CC1(C)O[C@@H](c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)CCc2ccccc21 67665208 LOMMSDDMLICVMB-MGUPHCMFSA-N 439.986 7.998 0 40 IKAB in-vitro CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(Cl)cc4)n3)C2)cc1 72349883 WSMPPSWYXNSUNT-NRFANRHFSA-N 447.966 5.304 0 40 IKAB COc1ccc(CNC(=O)C[C@@H](c2ccccc2)c2c[nH]c3cccc(OC)c23)cc1OC 85877195 UYXGSZNEGFIYKD-FQEVSTJZSA-N 444.531 5.032 0 40 IKAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 89662153 NYMNHIOZXYHXJA-RBUKOAKNSA-N 446.979 5.144 0 40 IKAB O=C(O[C@@H]1CCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CCC2 96485112 SUBPADDKHPFXDO-DAKPFUFHSA-N 441.483 5.119 0 40 IKAB COc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3ncnn32)cc1OCc1ccccc1 102153534 RFVQVSJVUBIIBK-JOCHJYFZSA-N 444.922 5.575 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@@H]1C[C@H]2CC[C@H]1C2 102641757 RFBBNAHDSTYUGA-POGDQYKGSA-N 432.490 5.098 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Cl)c2)cc1 107802876 VCTBWMIZRSAVCN-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB O=C(Nc1ccc(O)cc1)c1ccc(-n2c(-c3ccccc3)ccc2-c2ccccc2)cc1 108948670 ZWOZSJNLBJMODT-UHFFFAOYSA-N 430.507 6.769 0 40 IKAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O 118916057 WHQRSVDLJNJCEK-WDPNXBKASA-N 449.462 6.751 0 40 IKAB CC[C@@H](/C=C\[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118928235 WAIQWYALYSCYLA-MFESIODWSA-N 426.729 8.455 0 40 IKAB Cc1cccc(COc2ccc3ccccc3c2/C=c2\sc3nc4ccccc4n3c2=O)c1 197520548 ZBKTZFWFDSRGLV-QQXSKIMKSA-N 448.547 5.498 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)c1 214622646 RWHCUSAZSBQCST-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB C[C@@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C(C)(C)C)cc1 218882626 SUJANTNTYKKWNV-MRXNPFEDSA-N 446.429 6.300 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1cc(Cl)ccc1OCc1ccccc1 219761602 YQMHHUMNMPBLIG-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(Cl)c(Cl)c4)o3)N21 222713930 UCMDXYYSHYYMSJ-XMDBHEJHSA-N 444.387 6.628 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c(C)c1 223078089 PRAVBJDAJLNDNO-UHFFFAOYSA-N 432.951 6.111 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H](C)c1cc(C(C)C)c(OC)cc1C 223372510 LRQADXWTFLIYQY-DVECYGJZSA-N 425.613 6.459 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCC1 223457180 PBPKKHBZERIYGH-ZEQRLZLVSA-N 431.609 5.183 0 40 IKAB Cc1ccc(CNC(=O)[C@H](c2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 223485587 ZSJSDRDEQAPFTH-VWLOTQADSA-N 432.539 5.176 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224312319 UUKDMBWQJOGTFU-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)c1 224386473 XUARVPYIMCLMGM-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N(C)Cc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 224425759 JJZIFIIYAZWQFL-IBGZPJMESA-N 449.595 5.892 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccc(Cl)cc1 224501156 LOYGHVYFSWABPN-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB Cc1cccc(CN(C(=O)Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224820423 YKTQZORCCOSJEK-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225095577 SGLBEKLYLHKZMA-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225174060 HBWPGLMTPARBDI-QZTJIDSGSA-N 433.017 5.154 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 225194553 QZLXOGZNRDMDJO-HXUWFJFHSA-N 426.576 5.215 0 40 IKAB CC(C)CSc1nnc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)s1 225816112 VZXUEDZMAJWUAV-UHFFFAOYSA-N 445.635 5.710 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225832229 GVILRSBEVARZEZ-UHFFFAOYSA-N 433.895 5.637 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408560627 DRGUFZALXAWEBM-BZZOAKBMSA-N 444.984 5.601 0 40 IKAB Cc1ccc(NC(=O)CNC(=O)c2ccc(COc3ccc(Cl)cc3Cl)o2)cc1C 408560791 FCOZDSHMMCDGPY-UHFFFAOYSA-N 447.318 5.151 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 408575974 PCDGXWJJBZDVCK-UHFFFAOYSA-N 429.900 5.252 0 40 IKAB O=C(CCC(=O)OCC(=O)Nc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 408663279 MZMFSYRKSJMBEO-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB Cc1cc(C(=O)Nc2ccc(-c3ccc(NC(=O)c4cc(C)oc4C)cc3)cc2)c(C)o1 408722775 GELPUDMYAWKHLW-UHFFFAOYSA-N 428.488 6.278 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 409012474 IFKVNRNGWLOWMD-UHFFFAOYSA-N 433.533 5.138 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)cc3Cl)CC2)cc1 409051902 OKHCZNAZNIKHGB-UHFFFAOYSA-N 433.379 5.782 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CCOc1ccc(F)cc1 409052561 UZYLOSONSYDSGQ-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 409122511 YZANPDBFEWSNHB-FQEVSTJZSA-N 432.589 5.666 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1 409131746 JRPPMHSMJZLUFO-YMNYDYPGSA-N 432.951 6.048 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1cccc(F)c1 409197804 PHIKVLBQCBFVNK-UHFFFAOYSA-N 448.307 6.317 0 40 IKAB Cc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@@H]2C)cc1C 409208281 BVCFRLSAJPLVEK-NRFANRHFSA-N 448.636 5.162 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc21 409355840 FHCOJPYPKTUAFH-MTJSOVHGSA-N 438.936 5.624 0 40 IKAB Cc1coc2cc3oc(=O)c(CC(=O)N[C@@H]4CCCc5c4[nH]c4ccccc54)c(C)c3cc12 524729648 BYXLYSBHLIPJKU-JOCHJYFZSA-N 440.499 5.374 0 40 IKAB biogenic CN(C)C(=O)N1CCC(Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)CC1 585263004 UIZINSMKIGQMBP-UHFFFAOYSA-N 439.560 5.024 0 40 IKAB Cc1ccc(OCc2nc(-c3ccccc3OCc3ccccc3)ccc2C(=O)O)cc1 585265305 IVGDFONZJRPRIX-UHFFFAOYSA-N 425.484 5.913 0 40 IKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C 1547208766 BYLDLYWTMFKRNR-SBSKUFNOSA-N 430.717 6.997 0 40 IKAB C[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 998764 ONYYOXQBBGVBPH-SECBINFHSA-N 446.208 5.525 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(OCc2ccccc2)cc1 1106245 YQSHQQOKHKIITP-UHFFFAOYSA-N 442.471 5.372 0 40 IKAB FC(F)(F)c1cccc(Nc2nc(C3CC3)nc3c2nnn3Cc2ccccc2Cl)c1 1331288 ULYVPOHYKANICS-UHFFFAOYSA-N 444.848 5.563 0 40 IKAB CC(=O)Nc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc1 1340373 XKXKPJLXJLNBOO-UHFFFAOYSA-N 428.583 5.121 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1C 1359462 IRWZZSXOOADMSI-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc2ncc3c(n12)CCCCCCCCCC3 1592550 SZJSUCPIABBSDZ-UHFFFAOYSA-N 426.952 5.641 0 40 IKAB COc1cc([C@H]2C[C@@](C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1643576 VIOSAMYWANJHLU-BCHFMIIMSA-N 449.503 5.184 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCC1)Cc1ccccc1-2 1818743 NDGVMOSUJJZNFQ-UHFFFAOYSA-N 446.616 6.168 0 40 IKAB Cc1ccc(Cl)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1828554 DILFAIIJPFJSMD-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1c1ccc(F)c(Cl)c1 2059606 FMUGBWKYRVFYAD-IBGZPJMESA-N 431.692 6.013 0 40 IKAB O=S(=O)(c1ccc2ccccc2c1)N1CCS[C@H]1c1ccc2c3c(cccc13)CC2 2283974 XJTHKHDUTWXZCP-VWLOTQADSA-N 431.582 5.528 0 40 IKAB CC(=O)c1cc(Br)cc(Br)c1OCc1cccc2ccccc12 2625767 XTLAOVFGRHTIPD-UHFFFAOYSA-N 434.127 6.146 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)cc2)cc1 2654524 OMNPGXLCWXGPRN-HXUWFJFHSA-N 448.950 5.932 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nc(-c2cccc3ccccc23)cs1 2736208 RPPYDRCZSVNLED-ZDUSSCGKSA-N 443.355 6.676 0 40 IKAB O=C(CCc1nc2ccccc2s1)OCC(=O)N1c2ccccc2Sc2ccccc21 3229884 ABMFFGFDQBGXDW-UHFFFAOYSA-N 446.553 5.602 0 40 IKAB CCN(CC)c1ccc(C(=O)O[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1 3316644 OTWNWWZHZVUTNU-CYBMUJFWSA-N 442.865 5.389 0 40 IKAB O=C(Cc1ccc(Cl)cc1Cl)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3343756 DOQSWLOMFHBCBW-DEOSSOPVSA-N 438.310 6.185 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nc(-c3ccc(F)cc3)cs2)c2ccccc2)c1 3443193 RIXLMCQBNHZMAT-HSZRJFAPSA-N 448.588 7.038 0 40 IKAB Clc1ccc(-c2csc(N3CCN(c4nc(-c5ccccc5)cs4)CC3)n2)cc1 3627232 YYXIDLSJZPYENY-UHFFFAOYSA-N 439.009 5.914 0 40 IKAB c1ccc(-c2cc(-c3cc(-c4ccccc4)nn3-c3ccccc3)n(-c3ccccc3)n2)cc1 3671438 FUEGHUIETSUFQD-UHFFFAOYSA-N 438.534 7.059 0 40 IKAB CCOC(=O)c1c(CN2CCCC2)n(C2CCCCC2)c2cc(Br)c(O)cc12 5222223 HKHYEHXGYQSAQD-UHFFFAOYSA-N 449.389 5.387 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 6135399 DRWGIZCIPGDGCM-UHFFFAOYSA-N 434.609 5.917 0 40 IKAB C[C@@H]1C[C@H](C[C@@H]2CC[C@H](NC(=O)c3ccco3)[C@H](C)C2)CC[C@@H]1NC(=O)c1ccco1 6468346 MBAJXSUVUDTNQG-SOXBMFEASA-N 426.557 5.032 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 8426748 GGVLFDRIUMBEKG-LADGPHEKSA-N 449.348 6.008 0 40 IKAB CCOC(=O)c1c(NC(=O)CN2CCC(C)CC2)sc(C)c1-c1ccc(Cl)cc1 8433112 AMLYYMWFIXAKAR-UHFFFAOYSA-N 434.989 5.224 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2c(C)cccc2C)CC1=O 8755464 KOWSDHUZBDXRQG-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 8755675 ASCKVYXRIJASAZ-LJQANCHMSA-N 445.950 5.576 0 40 IKAB CCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 8830807 VKMGIUDKYXTTTC-UHFFFAOYSA-N 443.330 6.287 0 40 IKAB CCOc1cc(-c2ccc(N(C)C)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 8964469 WOASDWHJNRLKKV-URGPHPNLSA-N 440.587 7.031 0 40 IKAB biogenic CC(=O)N(c1cccc(C)c1)c1nc(CSc2nc(C)cc(-c3ccccc3)n2)cs1 9253024 XIBMUIXNGXEBAP-UHFFFAOYSA-N 446.601 6.194 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)cc(C)c3)s2)cc1 9375999 XBBUCCIYRKBKMO-UHFFFAOYSA-N 431.608 5.187 0 40 IKAB C[C@H](NC(=O)CN(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1)c1ccccc1Cl 9390309 CULGIHAOBXRZFM-RBUKOAKNSA-N 449.982 5.463 0 40 IKAB Cc1ccc2c(CC(=O)Nc3c(C(=O)c4ccc(Cl)cc4)oc4ccccc34)coc2c1 9430925 VZUAHUNHKVZKJD-UHFFFAOYSA-N 443.886 6.553 0 40 IKAB Cc1nc(SCc2nc3ccsc3c(=O)[nH]2)c2c(-c3cccs3)csc2n1 9508275 HFHUSBOUXKVVHC-UHFFFAOYSA-N 428.589 5.319 0 40 IKAB COc1ccccc1-c1nnc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)o1 9532294 FKHLMEKXZOUZCC-QHCPKHFHSA-N 430.529 6.078 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3nnc(-c4ccc(C)cc4)o3)ccc2OC)cc1 9549672 VQBBUYQKGHQVDY-UHFFFAOYSA-N 443.503 5.301 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cn3ccccc3n2)cc1 9568746 HGGJEJZOWIHWFK-UHFFFAOYSA-N 431.952 5.452 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3Br)cc(-c3cccs3)nc21 10507109 BZOUIINSHMMVAR-UHFFFAOYSA-N 441.354 5.756 0 40 IKAB COc1ccccc1Oc1cncnc1-c1ccc(OCc2cc(C)ccc2C)cc1O 11866301 YANDKVWRPOXOQO-UHFFFAOYSA-N 428.488 5.846 0 40 IKAB biogenic Cc1noc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)C3CCCCC3)cc2)c1C 12182237 BEBYNICNHPOITO-UHFFFAOYSA-N 432.568 5.735 0 40 IKAB c1ccc(CCn2c(-c3ccc(C4CCCCC4)cc3)cs/c2=N\c2ccccc2)cc1 12376369 FRDUUFIDQALWHX-FLWNBWAVSA-N 438.640 7.739 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)cc1 12539547 UNIQNTZJRIINJI-OAQYLSRUSA-N 443.522 5.079 0 40 IKAB Cc1cc(NC(=O)c2ccc(C(=O)Nc3cc(C)nc4ccccc34)cc2)c2ccccc2n1 13283041 ABQQNUYNYNCUCW-UHFFFAOYSA-N 446.510 5.904 0 40 IKAB CCCCN(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCC1)c1ccc(Cl)cc1 13497695 PNCKASONGAKQAY-JOCHJYFZSA-N 433.017 5.373 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(Cl)cc3)[C@H]2C(=O)N1c1cccc(Cl)c1 13513205 LIVXGYDERIEEOG-NJDAHSKKSA-N 439.298 5.045 0 40 IKAB Cc1ccc(CNCc2cc3c(C(C)(C)C)nn(-c4ccc(Cl)cc4)c3[nH]c2=O)cc1 13564682 JDDOUDZSESCJMU-UHFFFAOYSA-N 434.971 5.263 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)N1c2ccccc2Sc2ccccc21 13717142 LHRINGDHRSTTMD-UHFFFAOYSA-N 440.593 7.814 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cc(Cl)ccc1OC 14084697 IOFPIAAORRXNDF-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB O=C(CCSc1nc2ccccc2s1)Nc1cccc(-c2nnc3n2CCCCC3)c1 14230541 PLVLBZYJZPNGAI-UHFFFAOYSA-N 449.605 5.402 0 40 IKAB O=C(c1ccccc1)N(CCc1ccc(Cl)cc1)C1(C(=O)Nc2ccccc2)CCCC1 15980663 LDJHNKAMXJRZAH-UHFFFAOYSA-N 446.978 5.976 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1Cl 16195825 FDBCKHGUBKHLLG-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4[nH]3)ccc2C)c(Cl)c1 17099332 RLDNOZPCQSROOR-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccc(F)cc2)n1Cc1ccncc1)CCCC3 17101562 KHPDSXIROPJAIB-UHFFFAOYSA-N 437.565 5.212 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(F)cc1)c1ccc(Cl)cc1 17101772 IAKRQRYCWFZPRX-UHFFFAOYSA-N 437.927 5.626 0 40 IKAB CC(C)C(=O)N[C@H](c1nccs1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19086158 WYNPGCHGDZSXER-OFNKIYASSA-N 441.641 5.190 0 40 IKAB O=C(CC1CCCC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294164 ZDALSQJWIRTKJU-FQEVSTJZSA-N 445.542 5.318 0 40 IKAB CCOC(=O)C1=C(C)N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cc(Cl)cc(Cl)c1OC 19314588 XOPVYAKZUFVSAS-GOSISDBHSA-N 438.351 6.009 0 40 IKAB COc1ccc(C(=O)[C@H](OC(=O)CCC(=O)Nc2cc(C)ccc2C)c2ccccc2)cc1 20095144 BOBUFMALGXBEHO-HHHXNRCGSA-N 445.515 5.198 0 40 IKAB Cc1nc(COc2ccc([C@@H]3Nc4ccccc4C(=O)N3CC(F)(F)F)cc2)cs1 20936527 GROBPPUIPZQUKA-LJQANCHMSA-N 433.455 5.159 0 40 IKAB O=C(Nc1ncc(Cc2cccc(Cl)c2)s1)c1ccccc1SC[C@H]1CCCO1 21637278 NHTLIIYVTKQJMS-QGZVFWFLSA-N 445.009 5.911 0 40 IKAB C[C@@H](SCc1cc(-c2ccc(Cl)cc2Cl)no1)C(=O)Nc1c(F)cccc1F 23103440 KOGYCJQAELDDLR-SNVBAGLBSA-N 443.302 6.187 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccccc3C(=O)N3CCCCC3)c12 23182786 VGPOFPWSXPEJBX-UHFFFAOYSA-N 440.503 5.077 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3ccccc3)on1)CC2 24601320 VUDDTIJCBRNGMX-VWLOTQADSA-N 432.545 5.568 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1C 32116551 LDCKGIMEVKGTCH-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB NC(=O)c1c(NC(=O)c2cccc3c(Br)cccc23)sc2c1CCCCC2 32125209 XEWBVEUEJNBASK-UHFFFAOYSA-N 443.366 5.284 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc(F)ccc3C)cc1)=NCC2 33528583 ZNIBLLGFJTYLBS-UHFFFAOYSA-N 447.510 5.383 0 40 IKAB COc1ccccc1Cn1cnc2c3cc(F)ccc3n(Cc3cccc(Cl)c3)c2c1=O 35400348 JDHFVXRRHIZLIK-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1ncc(NC(=O)c2ccccc2C(F)(F)F)n1-c1nc(-c2cccs2)cs1 35682736 RRDBLCKJOZFNBH-UHFFFAOYSA-N 434.468 5.637 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@@H]3CC[C@]4(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]4[C@H]3CC(=O)[C@@]2(O)C1 36020277 MCXULCLKYCWUMP-ULVDALPQSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(C)[C@@H](C)c1ccc(Cl)cc1Cl 40063185 SPTGZUPRBPYPCG-HNNXBMFYSA-N 431.367 5.427 0 40 IKAB Cc1ccc([C@H](CNc2nc(-c3ccccc3)nc3nc(-c4ccccc4)oc23)N(C)C)o1 41157330 DOVJGEZVCCMXHO-FQEVSTJZSA-N 439.519 5.568 0 40 IKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(OCc2ccccc2Cl)cc1 44872499 SFLFSQULDVZPST-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCc1ccc(-c2ccc(Br)cc2)o1 57317083 KOBLHZDFNSHGRA-UHFFFAOYSA-N 448.744 5.836 0 40 IKAB O=C(CNC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)Nc1ccccc1 57364153 RXUXDSIGOUTHTF-UHFFFAOYSA-N 435.527 5.257 0 40 IKAB O=c1c(C(F)(F)F)cc(-c2ccccc2)nn1Cc1csc(Nc2ccccc2)n1 65512963 HFPNNVYQJPHIEQ-UHFFFAOYSA-N 428.439 5.178 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215165 OEQHMZAPEUFVEV-MJGOQNOKSA-N 433.593 6.084 0 40 IKAB Cc1ccc(-n2c(CSc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 72329966 OICKEXVNXAEUOI-UHFFFAOYSA-N 431.586 5.843 0 40 IKAB O=C(c1cccc(CS(=O)(=O)c2ccccc2)c1)N1CCCC2(CCCCCC2)C1 78934393 WVLWLRDYKXAUOU-UHFFFAOYSA-N 425.594 5.237 0 40 IKAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@@H](c2ccc(Br)cc2)C1 84421791 YDDHXFCRRNZMPZ-GOSISDBHSA-N 444.354 5.178 0 40 IKAB CC12C[C@@H]3C[C@@H](C1)CC(C(=O)N1CCC(C(O)(c4ccccc4)c4ccccc4)CC1)(C3)C2 100694142 WALOZKVZBRZLRW-AEACUUAWSA-N 443.631 5.768 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(C(C)C)cc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 102680933 MPRXCXOBOBBYHI-VPUSJEBWSA-N 428.532 6.070 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/Nc3ccc(-c4ccccc4)cc3)c3ccccc3C2=O)cc1 103004896 KYIIHTQJOBGUHT-ZXVVBBHZSA-N 430.507 6.302 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NC[C@@H]1CCCN(c2nccs2)C1 206833012 OLCJHNMZOXOALM-IBGZPJMESA-N 439.556 5.040 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1O[C@H](C)CC 214155063 SUWLQZXGNRUUFU-NWGMWSOJSA-N 445.968 6.153 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 216494347 XMCCFYJLUWJGNV-MRXNPFEDSA-N 426.409 5.736 0 40 IKAB CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219119556 YCMCZPYFWUEFGX-AUSIDOKSSA-N 444.641 5.023 0 40 IKAB Cc1cccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1C 222634678 SFUWSTGRQGTUQJ-FQEVSTJZSA-N 444.641 5.025 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccc2c(c1)CCCC2 223020173 HTPSMMBSQMNCLP-XIJDOWMKSA-N 429.991 7.027 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 223544080 LFSXGKJCSKYOGZ-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223961131 CJIAWBBPFZPJCM-UHFFFAOYSA-N 426.513 5.311 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(-c3cccnc3)c2C)cc1 224195534 MCLFEENFYLLVAM-LOSJGSFVSA-N 439.588 5.370 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)c1 224230314 JOQKCADTZYHWSI-DNQXCXABSA-N 425.561 5.061 0 40 IKAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1 224560211 KRBLEPJJJNGGFE-SFHVURJKSA-N 446.528 5.047 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCC1 224599985 MYOIHIDYPPYGPF-BJKOFHAPSA-N 432.593 5.498 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(OC)c(C)c1 224733904 JSCVMNPVVQCDGX-QFIPXVFZSA-N 449.422 5.790 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224768502 HMENTLLQUICMKH-RUZDIDTESA-N 440.603 5.461 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)c1 224834812 BPAVEAZFGMGLRK-RPWUZVMVSA-N 448.592 5.193 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1ccc(-c2ccccc2)cc1)c1ccccc1 224972302 RMDJQYKBDQNEMQ-NRFANRHFSA-N 434.539 6.026 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCC1 225102022 TVMIQVONLCEARL-JOCHJYFZSA-N 447.406 5.402 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCOc1ccc(Cl)cc1 225123177 VALIBAJJPPYMMT-HSZRJFAPSA-N 445.003 5.141 0 40 IKAB COc1cc2c(cc1OC)-n1cccc1[C@H](c1ccc(NC(=O)c3ccco3)cc1)CC2=O 225381877 AMMSGCLQKBFCQS-SFHVURJKSA-N 442.471 5.058 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225524787 GGCBKBMXJWRUHV-XUZZJYLKSA-N 438.612 5.219 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225613902 UELFGPTWAXTCJO-CVDCTZTESA-N 429.004 5.221 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@H]12 408622965 QHWDCROUYVTBJH-LQDNNDEMSA-N 434.322 5.564 0 40 IKAB O=C(C(=O)N1CCC(Cc2ccccc2)CC1)c1c(-c2ccc(F)cc2)cc2ccccn12 408674763 CHDNJZQDWVZWFX-UHFFFAOYSA-N 440.518 5.409 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2ccc(C)cc2)cc1 408723921 AKQZKRMPMSYCED-UHFFFAOYSA-N 435.449 6.427 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408973947 RBSCRGFJBDNERZ-SANMLTNESA-N 430.573 5.372 0 40 IKAB CCOc1c(I)cc(CNc2ccc(C)c(Cl)c2)cc1OC 409118391 PXORUJJIJBCSSF-UHFFFAOYSA-N 431.701 5.272 0 40 IKAB COc1ccccc1C(=O)/N=c1\sc(-c2ccccc2)c(-c2ccc(Cl)cc2)n1C 409199642 IJWNPDVZVZNIFI-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB COc1ccc(-c2sc(NC(=O)CC[C@H](O)c3ccccc3)nc2-c2ccccc2)cc1 409200251 KEUPARVRLHGVOH-QFIPXVFZSA-N 444.556 5.938 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)CC1 409250821 SIXSZCFNVILUBD-UHFFFAOYSA-N 436.499 5.130 0 40 IKAB CCCN1CCCCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643551288 YZTSEASUVCYUQI-NOZRDPDXSA-N 434.580 5.165 0 40 IKAB O=C(O)CCCOc1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccccc2)cc1 1857793460 ONEJZRMRCCQVGJ-UHFFFAOYSA-N 434.535 6.938 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2c(Cl)cccc2Cl)Cc2ccccc21 2037884884 FHVNGASGHMYRHI-UHFFFAOYSA-N 433.379 5.953 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OCC(=O)Nc2cccc(Cl)c2)cc1 937239 WGSGRPHFFMHRIY-UHFFFAOYSA-N 436.939 5.735 0 40 IKAB COc1ccc(OC)c2nc3c(cc12)CCc1c-3n(Cc2ccccc2F)c2ccccc12 1385147 AQHSBOITVUOPDJ-UHFFFAOYSA-N 438.502 6.160 0 40 IKAB Cc1nc2ccccc2n1-c1nc(N(c2ccccc2)c2ccccc2)nc(-n2ccnc2)n1 1446101 UDWUUPUJHBSAFB-UHFFFAOYSA-N 444.502 5.174 0 40 IKAB CCn1c(SCC(=O)c2ccc(F)cc2)nnc1-c1sc2ccccc2c1Cl 1480421 ZNJHFYHAZYYFCL-UHFFFAOYSA-N 431.945 5.947 0 40 IKAB O=C([C@@H]1[C@H](c2ccccc2)N1C1CCCCC1)[C@H]1[C@@H](c2ccccc2)N1C1CCCCC1 1686762 YKMHGWDVZGNAER-KESBQPQUSA-N 428.620 6.072 0 40 IKAB Cc1ccc(Cc2cnc(NC(=O)CCCOc3ccc(Br)cc3)s2)cc1 1769918 JCOCBJSHVOCNHD-UHFFFAOYSA-N 445.382 5.603 0 40 IKAB O=c1c2c(nc(SC3CCCC3)n1Cc1ccco1)-c1ccccc1CC21CCCCC1 1783104 QGTRNKKHZDVDNA-UHFFFAOYSA-N 446.616 6.344 0 40 IKAB biogenic Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CNc1ccccc1C 1831045 QNHQBSSWBDQOCE-AREMUKBSSA-N 446.594 7.065 0 40 IKAB CCCCC(=O)N(c1ccc(Cl)cc1)c1nc(-c2ccc(OC)cc2)c(CCC)s1 2170700 MMASTRNJQCUWKA-UHFFFAOYSA-N 443.012 7.280 0 40 IKAB CC(C)Sc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2183003 NTAKMMRFLWZEFU-UHFFFAOYSA-N 430.617 6.217 0 40 IKAB biogenic CCCCCCn1c(O)c(C(=O)Nc2cccc(Cl)c2Cl)c(=O)c2ccccc21 2291651 DQULTHWXWDUYLU-UHFFFAOYSA-N 433.335 5.847 0 40 IKAB CC(=O)Oc1ccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc2c1 2318445 ZTLWWQRWENPDPO-UHFFFAOYSA-N 442.290 5.271 0 40 IKAB COc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 2327097 LCNIWQVIZCGLNV-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OC(=O)N(C)C)ccc2c1=O 2412947 FVZVEEOMMDKZMX-UHFFFAOYSA-N 437.370 5.063 0 40 IKAB biogenic COC(=O)c1ccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 2416458 MWXVXMDBCLBJJQ-UHFFFAOYSA-N 434.419 5.398 0 40 IKAB biogenic C[C@@](Cc1c[nH]c2ccccc12)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583317 KPEBLOCUSAZTGS-MHZLTWQESA-N 440.499 5.092 0 40 IKAB CCc1cc(I)ccc1NC(=O)c1ccc(-c2ccccc2)cc1 2592954 BARHFGOCEAOKEN-UHFFFAOYSA-N 427.285 5.773 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccccc3Br)c2C(N)=O)C1 2739132 SKKWJJZBIHDICJ-NSHDSACASA-N 435.387 5.013 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 2743306 LXHBQUNDQUMPMG-UHFFFAOYSA-N 447.556 6.068 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2cccs2)cc1 3336427 TWGNLWCLWFVSAG-UHFFFAOYSA-N 444.560 5.335 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1cccc(Br)c1 3343429 HRMLUJPWDDEPBP-UHFFFAOYSA-N 438.321 5.306 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](CC)C(=O)OC)ncnc32)cc1 3658788 APDKFHHHPHAMND-OAQYLSRUSA-N 447.560 5.530 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 3659036 BSLRRGUVLUSCMP-WSDLNYQXSA-N 445.881 5.579 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4cccc5ccccc45)cc3n2)cc1 4122926 RTANBBTTWBKGGJ-UHFFFAOYSA-N 449.558 5.981 0 40 IKAB CCc1ccc2c(c1)C(c1c(C)n(C)c3ccccc13)(c1c(C)n(C)c3ccccc13)C(=O)N2 8398586 XJHPZTVSIPXJJF-UHFFFAOYSA-N 447.582 6.136 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F 8654171 KVGKKAKGVURXRD-UHFFFAOYSA-N 447.461 5.601 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cc3c(C)nn(CC(C)C)c3s2)c1 8718797 HNFZRTREBFKYPM-IBGZPJMESA-N 427.570 5.057 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1-c1cnn(-c2ccccc2)c1C(F)(F)F 8762538 AOSMUGPYCRQJDB-UHFFFAOYSA-N 443.498 5.770 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccc(Cl)cc2)n(C[C@H]2CCCO2)c1C 9130661 AKCQLZOOBHWJGU-LJQANCHMSA-N 448.954 5.733 0 40 IKAB O=C(c1ccccc1)[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccccc1 9146168 JJQKYALJTIFEEN-NDEPHWFRSA-N 447.559 7.725 0 40 IKAB Cc1ccc(CN2C(=O)[C@]3(SCC(=O)N3c3ccc(Cl)cc3)c3ccccc32)cc1 9225570 QHOMDJHEIMFBIB-XMMPIXPASA-N 434.948 5.128 0 40 IKAB CCc1cccc(C)c1NC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 9250417 KLXMYFLRHBQLJU-UHFFFAOYSA-N 448.588 5.495 0 40 IKAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 9255871 GYYGZGZSYADILM-NRFANRHFSA-N 428.513 5.023 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccncc2)cc1C 9296419 BDKQWRNQNVZSEL-UHFFFAOYSA-N 446.561 5.350 0 40 IKAB Cc1oc2cc(O[C@@H](C)C(=O)NCc3cccs3)ccc2c(=O)c1Oc1ccccc1 9336917 ZYFYHRVYTWWCDD-INIZCTEOSA-N 435.501 5.039 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)c1 9355580 LPDDPIWNFLHFSN-LJAQVGFWSA-N 444.534 6.589 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccccc5Cl)c3c2N)CCC4)c1 9375553 WAZYCMRYRVPSEH-UHFFFAOYSA-N 449.963 5.949 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 9414670 KHEPNVLXBKYUCU-FQEVSTJZSA-N 448.548 5.300 0 40 IKAB O=c1c2c(-c3ccccc3)csc2nc(SC[C@@H]2CCOCO2)n1C1CCCC1 9461838 LKFYZGPRGJZHFY-KRWDZBQOSA-N 428.579 5.095 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](NCc1ccccc1CN1CCCCC1)c1ccccc1 9513049 STCGTFJKAXIBPT-AREMUKBSSA-N 431.555 5.281 0 40 IKAB CCc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccc(C)cc3)c2=O)cc1 9959693 MJZQWSBBBLHRTQ-UHFFFAOYSA-N 426.541 5.286 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(C)ccc2OC)cc1Cl 10119231 FLILOTCLFMWBIX-UHFFFAOYSA-N 448.906 5.407 0 40 IKAB COc1cccc(C(=O)N(Cc2ccccn2)c2nc3c(C)ccc(C)c3s2)c1OC 10187662 QKZMQFLFJJUQGK-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3C[C@H]2C)cc1 10326622 JJSUNRFRTYPKNE-LJQANCHMSA-N 448.588 5.511 0 40 IKAB CC[C@H](Sc1nnc(-c2cccnc2)n1-c1ccccc1C)C(=O)Nc1ccc(F)cc1 10395552 RNYCDENSDPVRDF-NRFANRHFSA-N 447.539 5.286 0 40 IKAB COC(=O)c1cc(Br)ccc1OC(=O)c1sc2ccccc2c1Cl 12137496 WZIYRXZYVVARMM-UHFFFAOYSA-N 425.687 5.323 0 40 IKAB COc1ccc2cnc([C@@H]3CCCN(C(=O)c4nsc(Cl)c4Cl)C3)cc2c1C 12187893 IESCERMJWHYDET-CYBMUJFWSA-N 436.364 5.335 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(F)c2)cc1 12195956 RQZYOSJDZGDWNG-ZEQKJWHPSA-N 432.495 5.865 0 40 IKAB CCc1ccc(-c2cs/c(=N\c3cccc(C(F)(F)F)c3)n2CCCCCCO)cc1 12413451 PTZOPGTXSGQJMF-NFFVHWSESA-N 448.554 6.583 0 40 IKAB Cc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2-c2ccc(F)cc2)cc1 12461979 STLKZOSZONBKAD-UHFFFAOYSA-N 443.525 7.574 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccccc3Cl)C(=O)c3cccc(F)c3)c(=O)[nH]c2c1 12644367 LCJGETMOJRJJIO-UHFFFAOYSA-N 448.925 5.780 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)Nc2cccc(F)c2)cs1 12755127 JVAKNERMKVUSSO-CMDGGOBGSA-N 449.429 5.638 0 40 IKAB Cc1cccc(C=C(C(=O)Nc2ccccc2Cl)C(=O)Nc2ccccc2Cl)c1 13072468 VZSPRKVTXKWHRW-UHFFFAOYSA-N 425.315 5.963 0 40 IKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Nc4cc(C(F)(F)F)ccc4-n4cncn4)cc3c2C1 13096006 JYITWLFGXYIJDH-CYBMUJFWSA-N 439.441 5.145 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc2ccccc12 13511965 IKXHSWHUXBQRKK-DSNGMDLFSA-N 438.458 5.030 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1ccc2ccccc2c1 13757482 IZRGMSVRVHAMNO-DSNGMDLFSA-N 438.458 5.030 0 40 IKAB COc1cc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)c(OC)cc1Cl 14110090 VQCDHUXIEGNXRR-UHFFFAOYSA-N 433.895 5.462 0 40 IKAB C1CCC[C@@H]2CCCN3CC[C@@H](CCCCCC[C@@H]4CCCN5CC[C@@H](CC1)O[C@@H]45)O[C@@H]23 14885656 PQYOPBRFUUEHRC-NIVXRMQLSA-N 446.720 6.335 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc3ccccc23)c2cccc(C)c2)cc1 16309898 DYAAOMNCBZSKGF-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccc2nc(NC(=O)/C=C/c3ccccc3)sc2c1 16450855 DPLBUSUCOMETRI-JOBJLJCHSA-N 425.513 5.600 0 40 IKAB O=C(Oc1c(-c2nc3ccccc3nc2-c2ccccc2)oc2ccccc12)c1ccccc1 16492094 HEPBHQNGLCNFMV-UHFFFAOYSA-N 442.474 6.929 0 40 IKAB CCC(=O)N1N=C(c2cccc(OC)c2)Sc2c1nc(C1CCCCC1)n2C(=O)CC 16777994 XEALRZSVCAGTHG-UHFFFAOYSA-N 440.569 5.200 0 40 IKAB COc1ccc(OC)c(C(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)c1 19691177 UOLGSBZURUOFJN-UHFFFAOYSA-N 434.511 5.233 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 20499941 ZRKPTDTXPZNYJG-SANMLTNESA-N 428.576 6.908 0 40 IKAB C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4cccc(C(F)(F)F)c4)c3n2)C1 22714780 YOZBYWNHRKNPPM-MRXNPFEDSA-N 443.469 5.507 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 23708786 LOGPSDPNJFNEEN-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2ncnc3ccsc23)cs1 26959828 AWTGGIVLEGEXCA-UHFFFAOYSA-N 426.592 5.687 0 40 IKAB CCOc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Cl)cc3)n3ccccc23)cc1 27300840 AKFWKSQLDHIKGT-UHFFFAOYSA-N 433.895 5.057 0 40 IKAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(-n4nc(C(F)(F)F)cc4C)cc3)cc12 28574701 OMNIUXGBTHRALG-UHFFFAOYSA-N 426.442 5.560 0 40 IKAB C[C@H](Sc1nc2sc(-c3ccccc3)cc2c(=O)n1C)c1nc(C(C)(C)C)no1 31697083 SEZPIOCXULICBW-LBPRGKRZSA-N 426.567 5.196 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCCN(C)C)cc1 32622873 ZJRYDQOKJNPANU-JOCHJYFZSA-N 438.955 5.067 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCc2sccc2[C@@H]1c1cccs1 32781527 VDZORJAONYHYQF-HYBUGGRVSA-N 434.586 5.248 0 40 IKAB COc1cccc(-c2noc(CSc3ccc(-c4ccc(CC(C)C)cc4)nn3)n2)c1 32951335 OJXRLAQTBCGPIO-UHFFFAOYSA-N 432.549 5.693 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)cc1)c1ccco1 58327716 IAJMEQRMEVGCSL-LJQANCHMSA-N 429.303 5.816 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 64916771 OVDSAKHZXWZWAF-UHFFFAOYSA-N 439.924 5.068 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72215086 NPNHRAWFVMKPJS-INIZCTEOSA-N 435.565 5.109 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)cc1 72337821 CKRQYAJBMKDSML-MISYRCLQSA-N 448.533 5.084 0 40 IKAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)cc1C 72374557 KYUWUDDOQWUDSR-XMMPIXPASA-N 439.563 5.093 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC(CSc2ccccn2)CC1 90608042 QOHVBWVLDZJYIH-UHFFFAOYSA-N 427.957 5.343 0 40 IKAB Cc1nn(C)c(NC(=O)N(C)[C@@H]2CCc3ccccc32)c1-c1ccc(Br)cc1 95446408 BNFAHTLCBMBBLI-LJQANCHMSA-N 439.357 5.309 0 40 IKAB CC[C@H](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)C(C)C 96023783 FFLGORGANMRISQ-SJSKENPGSA-N 432.733 7.076 0 40 IKAB biogenic COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(C)o5)cc34)cs2)cc1 96154451 KLIBDLBJAYSBAW-UHFFFAOYSA-N 445.500 5.458 0 40 IKAB COc1cc(C(=O)NCC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc(OC)c1OC 100887022 BIAXFTFIYGOAAI-YVXWMLCYSA-N 449.591 5.289 0 40 IKAB O=C1/C(=C/Nc2ccc(Cl)cc2Cl)c2ccccc2C(=O)N1c1ccccc1Cl 102994698 LTFLGFDAWNQHEN-FOWTUZBSSA-N 443.717 6.287 0 40 IKAB C[C@@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 107784727 JRQZVLKOLGGCAH-WZONZLPQSA-N 440.012 5.083 0 40 IKAB CCOc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccccc1 108023256 NZNJHMIEZBCTRS-UHFFFAOYSA-N 446.616 5.158 0 40 IKAB CC[C@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547524 GIJPTNDPXSOYLT-SIKLNZKXSA-N 444.641 5.023 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](CC)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220703977 PALLUVSZOOHVLA-GOSISDBHSA-N 443.396 5.048 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222930560 IHIQGDJFWSBKLR-NHCUHLMSSA-N 444.526 5.520 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 223085445 GOFWYMMOSIIXQE-LOSJGSFVSA-N 445.636 5.248 0 40 IKAB Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)ccc1Br 223913813 OVPJBNBWJNZNAF-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)cc1 224105928 JFXGYIURXQUTJY-QFIPXVFZSA-N 434.624 5.261 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2OC)c1 224253726 WXVCJQYCMJHWKV-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 224533327 SHVHQZZKJVHTHX-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)c1 224847066 UYVVGXKTAPPXGV-UHFFFAOYSA-N 428.488 5.501 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 224855030 AMCDELQSCMMXNX-UHFFFAOYSA-N 437.870 6.783 0 40 IKAB C[C@H](NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)c1ccccc1 224949574 JRJZEFDKXICOBX-INIZCTEOSA-N 447.332 6.262 0 40 IKAB C[C@@H](CNC(=O)c1cccc(I)c1)Cc1cccc2ccccc12 224966923 QIQXLCPKXFOAEQ-OAHLLOKOSA-N 429.301 5.053 0 40 IKAB CCCCc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1 225340358 MHTDBLQTSIMGAZ-UHFFFAOYSA-N 427.573 6.396 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 260788356 ZDEOIUGNZYMWGO-OITMNORJSA-N 430.360 6.238 0 40 IKAB Cc1ccc(NC(=O)COc2cccc(CNc3ccc(Br)cc3C)c2)cc1 408611856 RWHWWVXFIAUFNS-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409100711 WECOZJZMIRGIBJ-NMMYMHLASA-N 444.497 5.879 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C/c2c(OC(C)C)ccc3ccccc23)C1=O 409203620 ZJQKVHPWSYHUNG-DEDYPNTBSA-N 427.522 5.007 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC(=O)c3ccccc3)C2=O)ccc1O[C@@H](C)CC 409224386 JTQXYTJTCFIXIE-SITPEIFSSA-N 439.533 5.182 0 40 IKAB Cc1cc2nc3s/c(=C\c4ccc(OCc5ccc(Cl)cc5)cc4)c(=O)n3c2cc1C 409391122 HJUDKASFYLPXSJ-QRVIBDJDSA-N 446.959 5.306 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(OC)cc5)c3c2N)CCC4)cc1 1775966957 WNYMAHAPTIVOES-UHFFFAOYSA-N 445.544 5.304 0 40 IKAB CC(C)c1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)cc1 756767 YUXMFWVYBZYQKV-UHFFFAOYSA-N 447.629 6.862 0 40 IKAB CCCc1cc(-c2nc(N)nc(C)c2-c2ccc(Br)cc2)c(O)cc1OC 940962 QLURJVULWWLLLN-UHFFFAOYSA-N 428.330 5.130 0 40 IKAB biogenic COc1cc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)cc(OC)c1 1340402 PUHUNFTVCUJSER-UHFFFAOYSA-N 431.583 5.180 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1353155 KQUPXAQULDKMPT-UHFFFAOYSA-N 429.495 5.518 0 40 IKAB Cc1ccc(CSc2ncnc3scc(-c4ccc(Br)cc4)c23)cc1 1911887 XAKKNEFTWUWSFI-UHFFFAOYSA-N 427.392 6.722 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)c1ccc(Cl)cc1 2079609 UGOPUNBBEBRUDN-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB Cc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)cc1 2120149 WYEUANJDNXKZRM-UHFFFAOYSA-N 425.919 6.275 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(C)cc2)cc1 2202153 CHVXDBIRJLYLDZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)Nc1ccc(F)cc1 2225164 FIKHVFRRXVBIJJ-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)Nc3ccc(Cl)cc3)c3nc4ccccc4nc32)cc1 2258218 HWUMIUITBFNNCA-UHFFFAOYSA-N 427.895 5.370 0 40 IKAB COc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCC4)cc1 2270593 QOYCHTXDYJFLOX-UHFFFAOYSA-N 434.586 5.279 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(-c3ccccc3)nc(C)c2=O)cc1 2337767 LKXWYZTXYYYTLQ-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB O=C(Cc1ccccc1)N[C@H](Nc1cccc(C(F)(F)F)c1)C(Cl)(Cl)Cl 2667200 IVJOWVRLRISULB-HNNXBMFYSA-N 425.665 5.173 0 40 IKAB O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc(COc2cccc(C(F)(F)F)c2)o1 2729734 DVVYKDUJMCBMHQ-UHFFFAOYSA-N 441.409 5.375 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cn(-c2ccccc2)nc1C(=O)c1ccccc1 3328995 PVBNHMFCWYZWCC-FYJGNVAPSA-N 425.875 5.249 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)n2)cc1 3408151 MHXLTAFGDIBNDH-UHFFFAOYSA-N 426.851 5.183 0 40 IKAB O=C1/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)NC(=S)N1C1CCCCC1 3667773 LTKPCYMPWLBHNB-HMAPJEAMSA-N 433.552 5.219 0 40 IKAB CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4174586 COHHINVPZAHRJL-JKHABCDFSA-N 449.547 5.504 0 40 IKAB COC(=O)c1c2c(cc3c1C[C@]1(Cc4cc5c(c(C(C)=O)c4C1)CCCC5)C3)CCCC2 5713034 VVJDYOLCEIQYJL-GDLZYMKVSA-N 428.572 5.317 0 40 IKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2cccc(Br)c2)s1 6161559 GJLOSWMJWLFHLM-UHFFFAOYSA-N 430.371 5.109 0 40 IKAB O=C(c1ccccc1)c1oc2ccc(Cl)cc2c1-c1cnc2c(c1)COc1ccccc1-2 8448330 YNVVNBDLHADSHV-UHFFFAOYSA-N 437.882 6.939 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 8709968 DAKVAMIPCBWUOM-ZDUSSCGKSA-N 444.354 5.161 0 40 IKAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)s2)cc1 8710622 JQVXMVRYJRMYAS-LBPRGKRZSA-N 429.596 6.370 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1Cc1ccccc1 8828303 GCNBISXIMSBSPE-HXUWFJFHSA-N 445.950 5.285 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 8831111 PEGRELDSXMWEDL-UHFFFAOYSA-N 441.965 5.953 0 40 IKAB Cc1ccc2nc(NC(=O)Cc3csc(SCc4ccc(Cl)cc4)n3)sc2c1 8854467 UMIONCCDFHVYCO-UHFFFAOYSA-N 446.022 6.188 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccc(Br)cc3)cc21 8959787 MQDVEPGNBWVZJI-UHFFFAOYSA-N 445.357 5.109 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)CC1 9062972 NVHSHFUFPRPUAP-UHFFFAOYSA-N 446.978 5.730 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)oc3c(C)cccc3c2=O)cc1OC 9129796 KWQADDVIAGWMAZ-UHFFFAOYSA-N 433.435 5.177 0 40 IKAB COc1ccc(-n2ccnc2SCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 9199064 UDJOKMKXHNRANO-UHFFFAOYSA-N 436.562 5.044 0 40 IKAB CC[C@@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)n3C)cc2C1 9385040 SCLCDXCDDDITGM-CQSZACIVSA-N 437.594 5.401 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CC[C@H](C(C)(C)CC)C2 9425757 CPOPREFCRHBBJT-ZDUSSCGKSA-N 448.610 5.186 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)Cc2ccc(F)cc2)c1 9518426 BSFKPPZBSGPRLK-UHFFFAOYSA-N 448.450 5.023 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2Cl)nc2c(oc3ccccc32)c1=O 9749276 OFDAJLDUVKQCGS-UHFFFAOYSA-N 441.940 5.327 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 9832101 FWZUULWDCYPBQJ-UHFFFAOYSA-N 439.610 5.541 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(C)c4C)cc3C[C@H]2C)cc1 10326565 CTMGWNKGNOQHPU-GOSISDBHSA-N 434.561 5.004 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)Cc4ccc(SCC)cc4)n3)oc12 10750942 IMXFJRAAELGYDG-UHFFFAOYSA-N 438.574 6.248 0 40 IKAB CC(C)(C)c1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)N=C(N3CCCCC3)O2)cc1 12401086 YJZJZJMSDJAVFF-UHFFFAOYSA-N 435.412 5.424 0 40 IKAB Cc1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3F)c3cc(Cl)ccc32)c(C)c1 12414528 GKOHFZQZDUSDIZ-UHFFFAOYSA-N 435.886 5.112 0 40 IKAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 12599222 GZYCSVZKSSUHGW-NSHDSACASA-N 434.339 5.525 0 40 IKAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 12678402 PNCNCRGTYRILHV-PBHICJAKSA-N 438.877 5.088 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccc(C)c(C)c2)[C@H](C(=O)NC(C)(C)C)c2ccccc2)s1 13084435 IDOJWGJXENULSV-QFIPXVFZSA-N 449.620 5.680 0 40 IKAB O=C(C1c2ccccc2-c2ccccc21)N1CCC(n2c(=O)oc3ccc(Cl)cc32)CC1 13566583 XTNDOZSUHRJKQF-UHFFFAOYSA-N 444.918 5.224 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cccc(NC(=O)c2cc(Cl)ccc2Cl)c1 13590164 IJMAMLXJXBWGLC-UHFFFAOYSA-N 435.310 6.651 0 40 IKAB Cc1nn(CC(C)C)c2sc(C(=O)N3CCC[C@@H]3c3ccc4c(c3)OCCCO4)cc12 14066108 BPPGWSJBLQSLSZ-LJQANCHMSA-N 439.581 5.201 0 40 IKAB Cc1ccc(OCc2nc(C(=O)Nc3nc4c(ccc5ccccc54)s3)cs2)cc1 14241122 JZKHNCPOAMMWBY-UHFFFAOYSA-N 431.542 6.046 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(C)c1Cl 14397733 NWNVLLPUFVGWOG-GOSISDBHSA-N 428.960 5.379 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)O)c3-c2ccccc2)ccc1OC(C)C 15108200 CCCUXFNLEKPNSO-MRXNPFEDSA-N 437.517 5.383 0 40 IKAB COc1ccc(/C=C(\NC(=O)c2ccc(C(C)(C)C)cc2)C(=O)OCc2ccco2)cc1 15944879 JBWCMVSLZZABOZ-KQWNVCNZSA-N 433.504 5.100 0 40 IKAB COc1cc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c(OC)cc1Cl 15970739 KUPLRZNPZIADFK-UHFFFAOYSA-N 430.502 5.618 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccc(C)cc2)cc1 16292577 LEDPHOJZIGCPSJ-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2Cl)cc1 16449992 FOYNCRYUJTYKRN-UHFFFAOYSA-N 448.763 6.153 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)c1 16841081 IQQISHNNONYERX-UHFFFAOYSA-N 431.311 5.038 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(Cl)ccc4OC)cc3)nc2c1 17099266 KQPDPYPVELJHAZ-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB CC/C(=C(\CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@H]2C=CCCC2)cc1 17328643 TTXGLJCLKHXJLQ-OVLZQZKCSA-N 428.616 8.392 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@H]1CCCC[C@H]21 17724535 GXAPBFIBEHYHFO-WOVHNISZSA-N 435.564 5.978 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373114 XJIALMYSOGARCF-IFMALSPDSA-N 439.563 5.345 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)C(c1ccccc1)c1ccccc1 19639112 OISNGQLTZZNIKM-UHFFFAOYSA-N 443.616 5.318 0 40 IKAB Cc1cc(-c2ccccc2)cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 19690578 RMDDAFKFMGJDRC-XMMPIXPASA-N 428.532 5.125 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2cccc(OC)c2)cc1 20970122 IRXZUKGGKYUNLF-RUZDIDTESA-N 438.531 5.535 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 22073669 LTXJBFGWRXFRNH-DPDSROAVSA-N 440.027 6.622 0 40 IKAB C[C@H](Sc1nnc(N2CCCC2)n1-c1ccccc1Cl)c1nc(C(C)(C)C)no1 24047799 QCLHULVICYLIFG-ZDUSSCGKSA-N 432.981 5.055 0 40 IKAB Cc1nc(C)c(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)s1 25587997 JWOWJPRHWZOTAS-UHFFFAOYSA-N 434.631 5.396 0 40 IKAB C[C@@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2c(c1)OCO2 27692409 OGGAQQHOIPGHLV-OAHLLOKOSA-N 432.501 5.340 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 29096833 HEMUJINVEQLEOY-UHFFFAOYSA-N 446.639 5.134 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 30860233 GFIJZZDKXUKCGG-NBGIEHNGSA-N 430.548 5.591 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1cc(Cl)ccc1Cl 32116602 IFLWCZRMFPKYBN-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB in-vivo Cc1c(-c2ccccc2)oc2c(C(=O)N(C[C@H]3CCOC3)c3ccccc3)cccc2c1=O 32827485 AEHUVVADUWZMQW-HXUWFJFHSA-N 439.511 5.452 0 40 IKAB Cc1ccc(Nc2nnc(SCc3cc(=O)n4c(n3)sc3ccccc34)s2)cc1 32910171 KHBJVQJYUMYDQH-UHFFFAOYSA-N 437.575 5.105 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2Cc1cccc(Cl)c1 35400650 WRRDCYKQIKESFU-UHFFFAOYSA-N 431.898 5.549 0 40 IKAB O=C(c1cc(-c2ccc3c(c2)CCCC3)on1)N1CCC(c2nc3ccccc3o2)CC1 35673049 KODAIBLWFVMEKV-UHFFFAOYSA-N 427.504 5.381 0 40 IKAB COc1ccc(-c2csc(-c3cc(NC(=O)c4cc(C)cc(C)c4)n(C)n3)n2)cc1OC 35683119 FUAIIPUIAVRKDE-UHFFFAOYSA-N 448.548 5.097 0 40 IKAB COc1ccccc1CNC(=O)[C@@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36360478 LVSHWVYGYMXKCQ-VWLOTQADSA-N 440.543 5.068 0 40 IKAB COc1ccc(-c2nc(CSc3nc(C)c(C)n3C[C@@H]3CCCO3)cs2)cc1OC 36395607 IBGDHEFWYGGRCI-SFHVURJKSA-N 445.610 5.112 0 40 IKAB CC(C)=CCC/C(C)=C/CC/C(C)=C/CC/C=C(\C)CC/C=C(\C)CC[C@H](O)C(C)(C)O 38429172 GRPNWQFOKYUABH-RSKUXYSASA-N 444.744 8.771 0 40 IKAB biogenic,in-vitro CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1SCc1ccsc1 40009615 BDOXLUYSIZSBLL-JOCHJYFZSA-N 434.586 5.943 0 40 IKAB Cc1c(Cl)cccc1NCc1nn2cc(-c3ccc(Cl)cc3)c3c2n1CCCC3 40163758 UJWOPGUKUQAJRS-UHFFFAOYSA-N 425.363 6.366 0 40 IKAB Cc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c(C)c1 44934940 SVPFACAFZDWIRB-SFHVURJKSA-N 429.402 5.155 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4c(s3)C[C@H](C(C)(C)C)CC4)no2)cc1OC 46086847 WCTHROUJQLLFRK-CQSZACIVSA-N 441.553 5.219 0 40 IKAB COc1cc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C2CCCCCC2)ccc1OC(C)C 85411783 QNMCPILMAIXJHZ-OAQYLSRUSA-N 429.586 5.754 0 40 IKAB CC(C)Sc1ccc(CC(=O)N2CCC[C@@H](c3nnc(-c4ccsc4)o3)C2)cc1 96119083 NSIRJEFXBRGCRG-QGZVFWFLSA-N 427.595 5.247 0 40 IKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@H]2c2ccc(Br)cc2)CCC1 101071534 FYUDAFDQNSJSPT-SFHVURJKSA-N 436.309 5.554 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222938346 FCCTUFMXUMGRBQ-RTWAWAEBSA-N 446.403 6.277 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(C(C)C)cc2)c1 223343974 DMWNOXZQJZHJCY-BWAHOGKJSA-N 430.548 5.231 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 223474783 PHHHJGHGBZTPMZ-PKTZIBPZSA-N 446.963 5.563 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223511758 KZLYTWXYCMNPIG-PKTZIBPZSA-N 430.508 5.048 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 223532516 LQNKQGVAASRQPD-BJKOFHAPSA-N 431.609 5.183 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3Cl)c2)c(OC)c1 224135674 JQZFXZQKRHLYCP-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCN(c1cc(Cl)ccc1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224620728 TUWCNFKLDVNODL-UHFFFAOYSA-N 429.152 5.524 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225362540 PRJLRCRDJZZJOD-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2cccc(C)c2)cc1Cl 225604665 NAXFFJBQKWLQMF-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@@H]1C[C@H]2CC[C@H]1C2 239412365 SPFMYGMPPCZEPK-QKJAQTCQSA-N 432.490 5.098 0 40 IKAB Cc1ccc(C(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 408687643 URVVRVKLNWDGRF-HSZRJFAPSA-N 440.948 5.255 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2cccc(C)c2)=N1 408988090 GVMLUNXAHAPSQL-XMMPIXPASA-N 427.573 5.841 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1ccc(F)cc1 408989245 SVPVTMPXXPSFRR-HYARGMPZSA-N 447.462 5.157 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409062135 OHEIVOPGKQAPAR-JLPGSUDCSA-N 447.556 6.264 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 409145291 PYRLZXUUVCJDLE-HYARGMPZSA-N 441.980 6.536 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3ccc(C(F)(F)F)cc3)C2=O)c(C)c1 409374589 UMBPZSRVRHQYPI-YVLHZVERSA-N 448.466 5.306 0 40 IKAB CCOC(=O)c1ccc2nc(NC(=O)c3cc(CC)c(-c4ccccc4)s3)sc2c1 585152317 OHJGBRRNVIBIME-UHFFFAOYSA-N 436.558 6.016 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@H](C)O)cc4)c3N2)cc1 675091 DKNPZRUGYWSHSX-KPOBHBOGSA-N 444.457 5.157 0 40 IKAB COc1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1 1175445 QGIYEQYJTDMZOH-LICLKQGHSA-N 425.488 5.208 0 40 IKAB CCc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)C3CCC3)cc2c1 1339485 SGKQVKNENRKPHO-UHFFFAOYSA-N 436.983 5.831 0 40 IKAB CCCCCCOC(=O)c1ccc(Nc2c(C(=O)OCC)cnc3ccc(C)cc23)cc1 1777783 HEMKCNLPKQVRNX-UHFFFAOYSA-N 434.536 6.201 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)C2CCCCC2)cc1 2362613 MOQDPEDRBHBVLA-UHFFFAOYSA-N 435.955 5.689 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)Nc1cc(Cl)nc(Cl)c1 2577972 LBHFNCNYFBEBGG-UHFFFAOYSA-N 447.105 6.407 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)c1 2652296 OSOFAWDOMPJFFG-UHFFFAOYSA-N 426.950 6.716 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)cc3)c2C(N)=O)C1 2747052 VRJGVWYXHNXJON-WDBUWWRISA-N 426.582 5.049 0 40 IKAB Cc1ccc(C)c(-c2c(C)sc(NC(=O)c3ccccc3F)c2C(=O)OC(C)C)c1 2760121 SYGVVAWSXIVEBZ-UHFFFAOYSA-N 425.525 6.297 0 40 IKAB CCOc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 2799182 CAKXWFORLPICJQ-CQSZACIVSA-N 447.482 5.680 0 40 IKAB CC(C)c1ccc(NC(=O)COC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)cc1 3235604 MNLOGFFYSQEWMT-UHFFFAOYSA-N 435.907 5.490 0 40 IKAB CC(C)=CCC[C@@H](C)[C@H]1CC[C@@]2(C)C3=C(CC[C@]12C)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC3 3881330 CAHGCLMLTWQZNJ-NFIHCTFXSA-N 426.729 8.479 0 40 IKAB COc1ccc(CCn2c(=S)[nH]c3scc(-c4cccs4)c3c2=O)cc1OC 3887580 YHQKHVFRCDGVHE-UHFFFAOYSA-N 430.576 5.109 0 40 IKAB CC(=O)[C@@H]1[C@H](c2ccc(N(C)C)cc2)C[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 3999436 CNXPKARYBROKAV-GJOYABSWSA-N 435.652 5.975 0 40 IKAB biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@@H](c1ccncc1)O2 6177407 GQBPSVFAWAYQDU-XUSGNXJCSA-N 430.291 5.298 0 40 IKAB COc1ccccc1CN1C(=O)CS[C@H]1c1cn(-c2ccccc2)nc1-c1ccccc1 9139526 IMROWESJXAGDBF-SANMLTNESA-N 441.556 5.322 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1Cc1cccnc1 9293567 LKJWKHLDQMOVML-FQEVSTJZSA-N 437.282 5.240 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)NCCSc1ccccc1 9377245 FPVIOHSKVVQGSY-UHFFFAOYSA-N 443.572 5.129 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1C)c1nnc(-c2cccs2)o1 9412850 HGWIKQPVFNRDOJ-ZDUSSCGKSA-N 425.583 5.744 0 40 IKAB COc1ccc2nc(N(CCCN(C)C)C(=O)CCCSc3ccccc3)sc2c1 9472809 BJOLICCLTAKXIV-UHFFFAOYSA-N 443.638 5.162 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CSCCOc2ccc(Br)cc2)c1Cl 9516614 YABXQLODDLUDGK-UHFFFAOYSA-N 449.197 5.815 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C 9633994 LPPBVHYHLYLERZ-UHFFFAOYSA-N 445.953 5.727 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(-c3ccccc3)[nH]c3ccccc23)cc1 9970991 XHPFVIILHXXBQR-LJAQVGFWSA-N 444.534 6.589 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 11116315 WVXVIMMSLHDULY-NHCUHLMSSA-N 427.957 5.165 0 40 IKAB COc1ccc(NC(=O)N2CCn3cccc3[C@@H]2c2ccc(Cl)cc2Cl)c(OC)c1 12344181 WSZBUVRGPZPMNC-NRFANRHFSA-N 446.334 5.449 0 40 IKAB Cc1cnc(C(=O)Nc2ncc(Cc3cc(C(F)(F)F)cc(C(F)(F)F)c3)s2)cn1 12731013 LGNHQRUPQUYLBE-UHFFFAOYSA-N 446.376 5.122 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1 12748449 PSWOWKYBQOAGPB-UHFFFAOYSA-N 444.453 5.601 0 40 IKAB COc1cccc(-c2nc(C(=O)NCc3cccc(Cl)c3)cc3c2[nH]c2ccccc23)c1 12872296 WJIXQSWOEKWCKO-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic O=C(OCc1ncc(-c2ccc(F)cc2)o1)C1(Cc2nc3ccccc3s2)CCCC1 12950797 SLAQHUFXHFTMOG-UHFFFAOYSA-N 436.508 5.937 0 40 IKAB O=C1CCCCC[C@H]1Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 12988834 XGXLKSWECMNTRH-LJQANCHMSA-N 431.945 5.146 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N3CCC(Cc4ccccc4)CC3)c2n1 13148682 JLCXWVNZIWMFSO-UHFFFAOYSA-N 443.374 5.710 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3F)c2c1 13653856 QLXAPICFUZVPNQ-UHFFFAOYSA-N 427.431 6.160 0 40 IKAB biogenic C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(Cl)cccc1Cl 13708444 SNBMOLVPJQQOBO-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB C[C@H]1[C@@H](c2ccccc2)N(Cc2ccccc2)C[C@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 13763892 LBMQWGLSKLHDSA-MOBIUZRASA-N 445.606 7.163 0 40 IKAB COc1ccc(-c2c/c(=N\c3nc(-c4cccs4)c(C)s3)c3ccccc3o2)cc1 13776202 CHCXHHKCKQRTIP-NCELDCMTSA-N 430.554 6.834 0 40 IKAB Cc1nc(-c2ccc(NC(=O)CNC(=O)c3ccc(-c4ccccc4)cc3)cc2)cs1 14189888 IGEPOYZNQJUPDW-UHFFFAOYSA-N 427.529 5.154 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cccc3c(Cl)cccc23)c(C(=O)OCC)c1C 14273232 JTZLZJVIEHKYLH-UHFFFAOYSA-N 445.924 5.469 0 40 IKAB CC(=O)c1ccc(OC(=O)[C@H]2CCC(=O)N(c3ccc(C)cc3)[C@@H]2c2cccs2)cc1 14463895 AMDZXCBRMGUAOU-URXFXBBRSA-N 433.529 5.349 0 40 IKAB Cc1ccc2nc(SCC(=O)N3c4ccccc4Sc4ccccc43)nc(C)c2c1 14608364 BQHOIAQJMQAKKY-UHFFFAOYSA-N 429.570 6.168 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 17095317 TYDMJFRNSRSJPI-UHFFFAOYSA-N 427.334 5.049 0 40 IKAB Cc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(C)c(C)c3)c2Cl)cc1C 17099464 BQNBYQPOXBDVPX-UHFFFAOYSA-N 435.398 7.806 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@H]2CCCCN2C(=O)Cc2ccc(C)cc2)n1 19525531 GOFMNFIVNGXTHT-JOCHJYFZSA-N 432.568 5.306 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(-c4ccc(CO)o4)c(Cl)c3)o2)cc1Cl 20140351 SIDFMEPSRARXCI-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(O)c1cc(NC(=S)NC(=O)C2(c3ccccc3)CCCC2)c(Cl)cc1Cl 20153537 QCJUBDASRBWBOI-UHFFFAOYSA-N 437.348 5.017 0 40 IKAB CCOc1ccccc1-c1nnc(SCc2cc3ccc(C)c(C)c3nc2Cl)o1 21545925 VWOHQXSIXNUPNZ-UHFFFAOYSA-N 425.941 6.246 0 40 IKAB CCOc1ccccc1-c1nnc(SCC(=O)NC2c3ccccc3-c3ccccc32)o1 24777814 ORCYSCNMMQRDMM-UHFFFAOYSA-N 443.528 5.114 0 40 IKAB O=C(Cc1csc(-c2ccco2)n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 24928560 YTVBMFWFTQYSCF-UHFFFAOYSA-N 438.530 5.012 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CCC[C@@H]2c2cccn2C)cs1 25051675 VKPPLCHCBGNXFY-HXUWFJFHSA-N 448.514 5.522 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccccc2)c1 32685844 PZTQCXDFWCRUQQ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2-c2ccccc2)c1 32686165 LXFZOCPTFCOZLC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1ccc(CCC2CCN(C(=O)C3CCN(C(=O)Nc4ccccc4)CC3)CC2)cc1 32857583 LSVSYTUOLCGYNR-UHFFFAOYSA-N 433.596 5.110 0 40 IKAB Cc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1C 35648096 UDEQVWFEUJUIQJ-ODLFYWEKSA-N 443.355 6.953 0 40 IKAB COCc1nn2c(ncc3c(=O)n([C@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397793 IVMODVLVMXADID-YWZLYKJASA-N 436.943 5.262 0 40 IKAB Cc1nn2c3c(c(-c4cccnc4)nc2c1-c1ccc(Cl)cc1)C[C@H](C(C)(C)C)CC3 48512741 TWSKRJCHFMKNQE-LJQANCHMSA-N 430.983 6.571 0 40 IKAB O=C(CN[C@@H](c1ccc2c(c1)CCC2)c1cccs1)Nc1ccccc1OC(F)F 57323211 YRSUKUQBKVSPNK-QFIPXVFZSA-N 428.504 5.156 0 40 IKAB COc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 59195307 KXCLYZKKWFBYFC-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72214898 WOPYPRNMYVQYPP-UHFFFAOYSA-N 435.565 5.109 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)CC1 72345089 DYGRNKJDWKZATL-UHFFFAOYSA-N 433.621 5.161 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)CCc2nc3ccccc3s2)C1 72396235 IDAQCEHDFJCSGM-NRFANRHFSA-N 444.604 5.304 0 40 IKAB Cc1oc(C2CC2)cc1C(=O)N1CCC[C@@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396405 BRIAOLBIMKRZNO-HXUWFJFHSA-N 425.532 6.029 0 40 IKAB CC[C@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C2SCCCS2)cc1 89947879 QFSAJGZDNZWQQW-HXUWFJFHSA-N 429.607 5.322 0 40 IKAB C[C@H]1[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc(Br)cc12 100889559 ZRKKBXCNIUILTL-ORCHDJNQSA-N 441.753 5.422 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccc(F)c1 100967671 FOGUVKOKUQBLPP-DCFHFQCYSA-N 426.491 6.396 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)c(Cl)c1)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102718134 NEGSYGMGTQLUEP-QKKBWIMNSA-N 441.314 6.603 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(O)c1 102985164 TWGJGBATYROCRQ-SANMLTNESA-N 432.564 6.765 0 40 IKAB Cc1ccc(N/C=C2\C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1C 104741542 FMRKBPHKBWZQHU-HMAPJEAMSA-N 436.433 5.962 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223652936 OMCKFGRIYPROIG-DEOSSOPVSA-N 438.612 5.221 0 40 IKAB Cc1c(Br)cnc(NC(=S)NCc2ccccc2Cl)c1Br 223933392 NLHDPLYPXWQICB-UHFFFAOYSA-N 449.599 5.055 0 40 IKAB Cc1cc(C(=O)NCCC2CCCCCC2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224008228 AMAXBUGCUCLJDY-UHFFFAOYSA-N 449.016 5.540 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)cc1 224421326 BTRHEJZSSSQRET-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(Cl)c1 224488609 CFVBYCWAAFKUQJ-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 224620633 MVDREAJXRUIAMC-RUZDIDTESA-N 446.591 5.107 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(OC)c(C)c1 225272798 DTHWZUVGFAWRMD-IBGZPJMESA-N 448.401 5.710 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc(C)c1OCc1ccccc1 225549561 XBSOZBJGOUNNSE-UHFFFAOYSA-N 431.551 6.862 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCCSCc2ccccc2Cl)c(C)c1 225607581 UXTFASBNLKTJJQ-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCCCCC1 225659769 OTTJFPLCKOVEIG-UHFFFAOYSA-N 430.633 5.646 0 40 IKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 225797174 MYHFVUXPDJIHLL-UHFFFAOYSA-N 429.320 5.346 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc(Br)c1O 226243643 QRXWLIFPSPKJKP-UHFFFAOYSA-N 449.757 5.397 0 40 IKAB CN(Cc1ccccc1)[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(Cl)c2)[C@@H]1O 257246555 IURBBBGLPNYGHY-DNRSQYFGSA-N 437.967 5.925 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3S[C@@H]3C=CC=C[C@H]32)nnc1-c1ccccc1 408534602 TUNMGRZFXWJESQ-UYAOXDASSA-N 446.601 5.059 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1cccc2ccccc12 408560817 FEFVPJBUIBLFHK-RWEWTDSWSA-N 441.383 6.746 0 40 IKAB COc1cccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)c1 408573845 KYJGWWPITCYFDK-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCc1ccccc1N1C(=O)[C@H]2[C@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408671562 ZCYYRQRECRMKTM-URFUVCHWSA-N 448.349 5.347 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(-c2ccccc2)cc1)Oc1ccccc1 408997717 GZLFQAHDJJFIJY-SANMLTNESA-N 436.511 5.692 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cn(Cc3cccc(C(=O)O)c3)c3ccccc23)C1=O 409015166 APNCGGXAOCPOMT-VRCTWVPOSA-N 434.517 5.223 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(C)cc3)c(OCC)c2)c2ccccc21 409115830 HQJTUFZUUDIORS-ULJHMMPZSA-N 427.544 6.270 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409180160 WFPYDYQFZYRKDW-SANMLTNESA-N 446.572 5.073 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H](Cn1cncn1)[C@H](Sc1ccccc1)c1ccccc1 630064 MCKCPBXNNGDCBE-ISKFKSNPSA-N 433.964 5.964 0 40 IKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc4c(c3)OCO4)c2c1 906277 IKJDRIUTLHQIGU-UHFFFAOYSA-N 429.501 5.065 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1ccc(Cl)cc1)N1CC=C(c2ccc(F)cc2)CC1 1328219 KFUDGJMYBGQWFM-NRFANRHFSA-N 425.939 5.099 0 40 IKAB Cc1ccc2nc(NS(=O)(=O)c3ccc(Cl)cc3)c(Nc3cccc(F)c3)nc2c1 1423178 NTLXKFVXVIZVDS-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c1OC 2085504 UFWIZOGNQBQFKO-NRFANRHFSA-N 428.410 5.494 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4ccc5ccccc5c4)cs3)c(=O)oc2c1 2207552 XCONGNJZGHYSRW-UHFFFAOYSA-N 426.541 6.583 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 2272050 YJPNURDNYGQFMO-KRWDZBQOSA-N 440.678 6.799 0 40 IKAB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2332858 OWSSYKJUUWTEFB-WOJBJXKFSA-N 445.154 6.442 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1c1ncccn1 2401680 GQHOXCVYFSMMBS-QHCPKHFHSA-N 447.450 5.125 0 40 IKAB CC(C)Sc1nc(SCCc2ccccc2)c2c3c(sc2n1)COC(C)(C)C3 2428664 JCFIHTWYBVNZBX-UHFFFAOYSA-N 430.664 6.378 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 2546447 WPFDHGLOCYBXTF-QHCPKHFHSA-N 439.024 6.846 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)Nc3ncc(Cl)cc3Cl)s2)c(C)c1 3255783 YVCUHZKNWHJSQH-UHFFFAOYSA-N 440.381 5.331 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 3450720 GBQWTCRQMVKKHB-KRWDZBQOSA-N 434.590 5.199 0 40 IKAB O=C([C@@H]1[C@H](c2ccccc2)N1C1CCCCC1)[C@@H]1[C@H](c2ccccc2)N1C1CCCCC1 4726411 YKMHGWDVZGNAER-GRZZIKARSA-N 428.620 6.072 0 40 IKAB Cc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 5484935 UVRXHUHWEQZPNT-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB FC(F)Oc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8431593 XHTIYMJMMBWIKS-UNMCSNQZSA-N 426.850 6.184 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)c1 8846279 QEBAQORXXZIJBP-HSZRJFAPSA-N 444.462 5.174 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@H]1CCCO1 8869921 NEWANSVJNXBMHV-GOSISDBHSA-N 442.770 5.542 0 40 IKAB COc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2ccccc2)cc1 8873799 QIDNSPZRDITQQX-UHFFFAOYSA-N 428.435 6.243 0 40 IKAB COc1ccccc1-c1nc(CSc2nnc(-c3cccs3)n2C2CC2)cs1 8966279 ZDBZIJPUJMEWLG-UHFFFAOYSA-N 426.592 5.766 0 40 IKAB COc1cc(/C=C/C(=O)Nc2nc(-c3ccccc3)cs2)ccc1OCc1ccccc1 9087683 ZPSHUNLKHHIKTP-FYWRMAATSA-N 442.540 6.050 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccc(F)cc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 9090040 NRPXUQNFIIKJER-XDHUDOTRSA-N 443.478 5.654 0 40 IKAB Cc1cc(C)c(O)c(-c2[nH]nc3c2[C@H](c2cccc(Cl)c2)N(Cc2cccnc2)C3=O)c1 9124719 LCRPGYWIIZSDOE-QHCPKHFHSA-N 444.922 5.193 0 40 IKAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(Cc2nc3ccccc3s2)cc1 9222416 OVMCVAAPXFFWBI-UHFFFAOYSA-N 430.533 5.037 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(OCC)cc4)cc3n2)cc1 9226551 RVXPPCBSWQAMNC-UHFFFAOYSA-N 448.954 6.068 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(F)cc3)sc3ccccc3c2=O)cc1OC 9328009 KWCAMGAQOZRCRQ-UHFFFAOYSA-N 435.476 5.337 0 40 IKAB CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc12 9401632 QATBPCOHVOWIKY-UHFFFAOYSA-N 446.557 5.547 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)NCc2c(C)nn(Cc3ccccc3)c2C)no1 9477128 XQNKOXOHSSLUIM-UHFFFAOYSA-N 446.576 5.067 0 40 IKAB Cc1nc(Nc2nc3ccccc3o2)nc(C)c1C(=O)Nc1cccc(C(F)(F)F)c1 9479962 SAIKTWNCMJMDLW-UHFFFAOYSA-N 427.386 5.249 0 40 IKAB CC[C@@H](NC(=O)CSc1nnc(-c2ccc(OC)cc2)n1C(C)C)c1ccc(C)cc1 9507621 PPYCYVSSZKKEEL-OAQYLSRUSA-N 438.597 5.203 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9581828 BRCDLBOHWWDYGL-BCHFMIIMSA-N 431.580 5.354 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)cc1OC 9595092 ZBSOGRPFQANVQK-UHFFFAOYSA-N 437.521 5.264 0 40 IKAB CCCOc1cccc(-c2nc3c(Br)cc(Br)cc3c(=O)o2)c1 9804792 BHYGEPKJWIIISW-UHFFFAOYSA-N 439.103 5.169 0 40 IKAB O=C(O)c1ccccc1-c1ccccc1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 10013427 LWGLYJGTLVJCOB-UHFFFAOYSA-N 433.467 5.847 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)n1nc(-c2ccco2)nc1NCc1ccccc1Cl 10076706 XAVPLLCCYGEZOO-UHFFFAOYSA-N 447.709 5.799 0 40 IKAB COc1cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc(OC)c1OC 10120347 JIMASOPVEWTEGI-UHFFFAOYSA-N 446.503 5.067 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1 12565700 FZRZUSMYZIQIER-QHCPKHFHSA-N 447.966 5.214 0 40 IKAB CC1CCN(c2ccc(NC(=O)CN[C@@H](c3ccc(F)cc3)c3cccs3)cc2)CC1 12595316 FNLHOCYKFXYOER-VWLOTQADSA-N 437.584 5.441 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3cc(Cl)ccc3C)C2)c2ccccc12 12741190 DGITWFLBFMHYKN-KRWDZBQOSA-N 436.939 5.301 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(C(=O)Nc3ccccc3)CC2)cc1 12783807 OFVJPGUVAZBHIW-DEOSSOPVSA-N 435.568 5.083 0 40 IKAB O=C(CSc1nncn1-c1cccc(Cl)c1)N1c2ccccc2CCc2ccccc21 12792560 BLCFQLGWNJLNEC-UHFFFAOYSA-N 446.963 5.476 0 40 IKAB CC1=C2C[C@H]3[C@@H](C[C@@]2(C)CCC1)OC(=O)[C@H]3CN1CC=C(c2ccc(Cl)cc2)CC1 12884451 FKEAUJZKSIRFAS-MWXBQQNOSA-N 426.000 5.887 0 40 IKAB biogenic O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1ccnn1Cc1ccccc1Cl 12921688 DQLWONMIEAZBFR-UHFFFAOYSA-N 442.853 5.089 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)[C@@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 12983800 QRBCIFKAPKVSFI-XMMPIXPASA-N 444.535 5.538 0 40 IKAB COc1cc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)cc(OC)c1 13097915 HERXLAZBYVGNAD-UHFFFAOYSA-N 437.546 5.106 0 40 IKAB O=C(NCc1nnc2c(C(F)(F)F)cc(Cl)cn12)c1ccc(Oc2ccccc2)cc1 13576611 PVKMYTXDLVBSOA-UHFFFAOYSA-N 446.816 5.124 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 13946105 WAANOHAWUPOSJO-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 16007554 ZJHYWCDBMLSWBM-BLLLJJGKSA-N 439.965 5.310 0 40 IKAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc(C)c(Cl)c4)cc3)CC2)cc1 16291914 HEOUTUKXBIDSMC-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)O)c1ccc(-c2ccc(Cl)cc2)o1 16429519 ZYDNOBOHHBKRAX-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 16741751 IFNRTZNOGRXBSY-BOYUCYPVSA-N 433.658 5.322 0 40 IKAB CCOc1ccc(NC(=O)CSc2nccn3nc(-c4ccc(Cl)cc4)cc23)cc1 17307859 JTFXYQISOURKHZ-UHFFFAOYSA-N 438.940 5.179 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)sc3c2CCCC3)c1 19632189 LRMSCPDGQMWNOZ-DLBZAZTESA-N 440.565 5.017 0 40 IKAB CCc1ccc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1 19819699 PLYSAUSNLVCEOT-UHFFFAOYSA-N 433.602 5.230 0 40 IKAB Cc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccc2F)cc1 19823118 SBFIUOUKCUXLNH-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3cccc(Cl)c3)C2)cc1OC 19960733 JQNBVFFLCAKNIR-UHFFFAOYSA-N 435.955 5.084 0 40 IKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 20412183 RPNVBXVZKNLDFF-UHFFFAOYSA-N 441.886 6.481 0 40 IKAB CC[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc(OC)cc1 20485018 IBIUXVVKZPJHNV-HSZRJFAPSA-N 425.981 6.522 0 40 IKAB COc1c(C(=O)Nc2ccc(C(=O)OC(C)C)cc2)cc2ccccc2c1Br 21124659 FLENYVRWWRBMCL-UHFFFAOYSA-N 442.309 5.428 0 40 IKAB C[C@@H](NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12)c1ccccc1 22074142 BIDJWOPUXJQJJU-GOSISDBHSA-N 436.382 7.576 0 40 IKAB CC(C)c1ccc(N2C(=O)/C(=C\c3ccccc3OCc3ccccn3)NC2=S)cc1 24841981 UMZGSRRVUZJJSH-PXLXIMEGSA-N 429.545 5.046 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2cccc(C)c2C)c2c[nH]c3ccccc23)cc1 27746251 QSFXLHQKBSSLKZ-QHCPKHFHSA-N 428.532 5.120 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)c1 33021963 NTHVINLCHGOXCT-UHFFFAOYSA-N 448.857 6.158 0 40 IKAB CCn1c(SCc2nc(-c3ccccc3)no2)nc2cc(-c3ccccc3)sc2c1=O 33278206 UVFWPTLFFNPBKX-UHFFFAOYSA-N 446.557 5.487 0 40 IKAB O=C(NC(=S)Nc1nc2ccccc2s1)c1sc2cc(Cl)ccc2c1Cl 33371658 LEVRNVJXJCBEKU-UHFFFAOYSA-N 438.386 5.945 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1O 34868740 FIOOACASMVEVEO-UUASQNMZSA-N 428.268 5.083 0 40 IKAB Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn23)cc1 35615876 PBMPMDDQOKWLLH-UHFFFAOYSA-N 428.580 6.749 0 40 IKAB CCc1cccc2c(/C=C3\NC(=S)N(C)C3=O)cn(Cc3ccc(Cl)c(Cl)c3)c12 39556672 BGKXRDTYWOLQAN-GRSHGNNSSA-N 444.387 5.246 0 40 IKAB O=c1c2sccc2n2c(SCc3ccccc3Cl)nnc2n1Cc1cccs1 45924483 MPEPCOHBYOESQH-UHFFFAOYSA-N 444.994 5.161 0 40 IKAB CCOc1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 57486339 XRBQCDCNQYLYCU-UHFFFAOYSA-N 432.589 6.565 0 40 IKAB CCc1ccccc1NC(=O)c1nnn(Cc2nc(-c3cccc(Cl)c3)oc2C)c1C 64967626 ZLCWMOVOZCMCBF-UHFFFAOYSA-N 435.915 5.066 0 40 IKAB CC(C)(C)c1nc(CC(=O)N2CCCC[C@@H]2c2ncc(-c3cccc(F)c3)[nH]2)cs1 79045889 BLBODZPUUVYEAO-LJQANCHMSA-N 426.561 5.266 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cn1)c1sc2cc(C(F)(F)F)ccc2c1Cl 84452362 YUDOZUOXEHNJGG-UHFFFAOYSA-N 425.863 5.821 0 40 IKAB CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 100741103 OLBNGLBVDWDALE-BQKHULEESA-N 441.568 5.380 0 40 IKAB COc1ccc(NC(=O)c2cc(Br)c(OC)c(OCc3ccccc3)c2)cc1 108237927 YURHYQFTIQYCDW-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 113959111 YFDOSTJHTQUVRT-DEOSSOPVSA-N 440.631 6.249 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(N5CCCC5)=CC[C@]4(C)[C@H]3CC[C@@]21C 118923599 RGRNUVRIJBGXEL-LBXNNFBDSA-N 439.772 8.697 0 40 IKAB Cc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)(C)C)c1 222744159 BNERZSRPGCOEGR-OAQYLSRUSA-N 430.592 5.413 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 222941912 CSDYHHPMZKLTMU-HXUWFJFHSA-N 441.959 5.504 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 223144420 RFKOGVMNHIOOEA-VWLOTQADSA-N 443.006 5.837 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223399214 YOWBDRJPACNHGU-BJKOFHAPSA-N 429.520 5.653 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)NCCC3=CCCCC3)c2)cc1 224342256 USVGXXUVMQIAKV-UHFFFAOYSA-N 447.000 5.094 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 224351791 VQXLPXZGIWNEHH-IBGZPJMESA-N 441.786 5.133 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C(C)C 224461676 OQWDJTXTNTULSI-YADHBBJMSA-N 425.001 5.911 0 40 IKAB CCOCc1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)ccc1OCC 224700810 BEEMDVGKPLLBCZ-UHFFFAOYSA-N 437.923 5.759 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(Cl)c(Cl)c1 224886077 NYXCMKZZMJODAX-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 224912508 RRGLTRXASRRKEI-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)c1 225054951 YLYROWZXGAUABV-UHFFFAOYSA-N 434.384 5.462 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225515992 ROFOMQADZNKNLA-SQJMNOBHSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 225526159 REOYGZIGDGNMKI-VGSWGCGISA-N 432.967 5.052 0 40 IKAB CCN(c1ccc2sc(C(=O)NCCC(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 225855057 RDPUUPPQMUJICN-UHFFFAOYSA-N 444.622 5.201 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226756374 YGCGDEFQQNCJNV-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 408575852 NTKDNTNVNPZYCG-UHFFFAOYSA-N 442.559 5.454 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(C)c(C(=O)NC(C)C)c3)ccc21 408605068 MMOQTWRKJCRODS-UHFFFAOYSA-N 449.576 5.062 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3ccc(F)cc3)c(Br)c2)c1 408607257 JKHJTMWAMIPXEZ-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)sc2n1 408624968 WHNBTGWHSTXVFF-UHFFFAOYSA-N 439.393 5.573 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1 408698902 SSUVKETUDBFJRH-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)Cc1ccc(-c2ccccc2)cc1 408714723 WKPFABNCIYHCKQ-UHFFFAOYSA-N 439.559 5.902 0 40 IKAB Cc1cccc(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)OCc2ccccc2)c1Cl 408737928 PZYQCAXMMMMDAV-JXFKEZNVSA-N 432.948 5.086 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(Br)cc3)c(Cl)c2)c(C)c1 409110581 FFDLUZJRFSDWQB-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 409411473 XHGSAYMSQMKBKB-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3c(C)cc(C)cc3OC(C)(C)[C@H]2C[C@H]1C(=O)O 585264587 IQMLIFMZPALOLN-AWZJCTCXSA-N 438.564 5.653 0 40 IKAB Cc1ccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)c(C)c1 585266012 YUFKNKVTIQYRJW-UHFFFAOYSA-N 425.912 6.083 0 40 IKAB CCCCCc1ccc(C(=O)N2CCCCCCCN(C(C)=O)c3ccccc3C2)cc1 643589682 ZEZHGZUFPAKKEP-UHFFFAOYSA-N 434.624 6.379 0 40 IKAB COc1cccc(-c2nccc([C@H]3CCCN3C(=O)C3(c4cccc(F)c4)CCCC3)n2)c1 2037834801 QRMYJASPHIDGTR-XMMPIXPASA-N 445.538 5.467 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cc(Cl)ccc1Cl 901750 BFPDMOZQPWMGTO-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB CCc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 928180 ADMWAMZHAQQAKN-UHFFFAOYSA-N 441.600 5.798 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 1223823 CWAULKQDZHEJRB-UHFFFAOYSA-N 447.560 5.227 0 40 IKAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccc(Cl)cc4)n3)ccc2N1C(=O)C1CC1 1366171 FBGPRCNYCRPQHK-ZDUSSCGKSA-N 437.952 5.403 0 40 IKAB CCc1ccc2nc(-c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)cc(C(=O)O)c2c1 1790040 WAJHBLGCRWUONP-UHFFFAOYSA-N 445.824 7.095 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(F)cc2s1)c1cccc(OCc2ccccc2)c1 1840492 HXDMYLGTGRXHAR-UHFFFAOYSA-N 437.521 5.141 0 40 IKAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 2263399 JTCQHBAZHORCTE-KSFYIVLOSA-N 437.565 5.304 0 40 IKAB COc1ccccc1Oc1coc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O 2377143 MMDFGANMWHIJHR-UHFFFAOYSA-N 443.282 6.480 0 40 IKAB biogenic O=c1c(-c2ccc(Cl)cc2)coc2cc(OCc3ccc(Br)cc3)ccc12 2418657 GYVBTUUJNTXVCD-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB biogenic COc1ccc(C(=O)Nc2c(-c3ccc(C)cc3)c(=O)c(C)nn2-c2ccc(C)cc2)cc1 2439384 CFDHHBQEINBXME-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 2451248 WFRFZESESBTVEB-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccccc3OCc3ccccc3)n2)cc1OC 2638581 GGDNCYJQJAPMNZ-UHFFFAOYSA-N 446.528 5.659 0 40 IKAB Cc1cccc(Cn2cc3c(-c4ccc(C)c(C)c4)nnc-3c3cc4c(cc32)OCCO4)c1 2691945 YXQYHYQOOJODCD-UHFFFAOYSA-N 435.527 5.948 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)cc1C 3251229 ORSPEXSTBDCKSP-UHFFFAOYSA-N 441.499 6.401 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cc(C)nc3ccccc23)c2ccccc2)c1 3315456 JBEJOMJWCYSEPN-DEOSSOPVSA-N 426.472 5.089 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccnn3C3CCCCC3)c3ccccc3C2=O)cc1C 3414961 ZILMTTDTGLIPOQ-ULJHMMPZSA-N 440.547 5.645 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@@H](C(C)(C)C)CC4)c(C)c1 4134548 NKIMYSFCVVGLKZ-SFHVURJKSA-N 425.594 6.310 0 40 IKAB Clc1ccc(C2=NN(c3cccc(Br)c3)[C@@H](c3ccccc3Cl)C2)cc1 8427276 XWDZOFMJCDRAFD-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NC[C@@H]3CCCO3)[nH]2)cc1 8594963 IRPABUMBRQSCJU-NRFANRHFSA-N 435.593 5.002 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)NCCc3ccccc3F)c(C)c2c2occ(C(C)(C)C)c12 8654553 WELMAYVPNYLNDO-UHFFFAOYSA-N 449.522 5.494 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C)cc1 8738058 YIEYDJUCLNZISK-MOSHPQCFSA-N 443.330 5.421 0 40 IKAB Cc1ccc(-c2c(C)sc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c23)cc1C 8789693 KAKWUUDNXWOBFB-UHFFFAOYSA-N 445.588 5.812 0 40 IKAB Cc1cc2oc(C)c(C(=O)OC(C)C)c2cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 8870347 PEVBRNHOYNKRBC-UHFFFAOYSA-N 443.565 5.713 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)c1 8871445 JLCWSGYPDAFJCA-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB CC(C)C(=O)Nc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2-c2ccccc2)cc1 8966396 LHUPIKBICMQCIJ-MRXNPFEDSA-N 434.565 5.103 0 40 IKAB O=C1OC(c2ccco2)=N/C1=C1/C=C(c2cccs2)Oc2ccc(Br)cc21 9129681 BFCNZXMPXYBZJA-AQTBWJFISA-N 440.274 5.252 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4C)no3)nnc2-c2ccccc2)cc1 9184978 BZOUNGMMBPYLAD-UHFFFAOYSA-N 439.544 5.893 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)cc1 9301951 OMEZZWUWVCNFRC-UDOFLQGHSA-N 441.369 5.908 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)c2ccccc2Br)cc1 9496077 TUSMUUJJVLUXNA-CYBMUJFWSA-N 429.314 5.124 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9911632 MZZKBHUQTFHXGB-CHWSQXEVSA-N 436.364 5.325 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc(C3C4CC5CC(C4)CC3C5)cc2)c(OC)c1OC 10127842 QTLPPAINULFDQW-YRNVUSSQSA-N 447.575 5.904 0 40 IKAB Cc1cc(C)nc(Oc2cccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2)n1 12032690 LRTVOEGSHYUCJR-CQSZACIVSA-N 432.307 5.599 0 40 IKAB C[C@H](CCN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1)c1ccccc1 12233786 JQHJOOQDDFPMCO-GOSISDBHSA-N 431.502 5.076 0 40 IKAB C[C@@H](Sc1nnc([C@@H](C)N(C)C)n1-c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 12554255 JNOUMFJSCLPXCS-ZIAGYGMSSA-N 432.952 5.046 0 40 IKAB Cc1nc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c(Cl)cc1Cl 13128011 XCVOXDJTXQRDEZ-UHFFFAOYSA-N 440.381 5.083 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(F)cccc2F)cc1Cl 13609577 RRTDSVAYYQGUBS-UHFFFAOYSA-N 440.833 5.368 0 40 IKAB COc1ccc2[nH]c(C)c(C(=O)CSc3nnc(-c4ccoc4)c(-c4ccoc4)n3)c2c1 13992044 FIISCEMFXYIEJG-UHFFFAOYSA-N 446.488 5.165 0 40 IKAB O=C(NCc1ccccc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992088 UULFWKNZCQSYDZ-UHFFFAOYSA-N 427.554 6.017 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nccn2C(F)F)cc1 14703433 ICMYDJIGLZDMCL-UHFFFAOYSA-N 441.507 5.141 0 40 IKAB C[C@H]1CCCCN1CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CC[C@@H](C)C2 15946891 WHUDWKMLMXDFHW-CVEARBPZSA-N 443.588 5.077 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)N(c1ccccc1)c1ccccc1 16194605 VLOLKARMYKBBKL-UHFFFAOYSA-N 431.344 5.855 0 40 IKAB S=C(NCCc1cn(C(=S)Nc2ccccc2)c2ccccc12)Nc1ccccc1 16489919 RTLDZPJMGLUVBC-UHFFFAOYSA-N 430.602 5.416 0 40 IKAB O=C(Cn1nc(-c2ccc(Br)cc2)oc1=S)c1ccc(OC(F)F)cc1 16768778 TUCBVNXNDGFQDG-UHFFFAOYSA-N 441.253 5.119 0 40 IKAB CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1 17094574 SMHWMCMHXXAGKX-GOSISDBHSA-N 425.598 5.227 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)ccc2n1C 19687926 AHEPHJIOVXMCGB-RUZDIDTESA-N 444.966 5.498 0 40 IKAB CSc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccccc3)[nH]2)cc1 20182352 BXDVGPRNMXWUPZ-UHFFFAOYSA-N 438.603 5.653 0 40 IKAB O=c1oc2ccccc2c(NC2CCCCC2)c1NS(=O)(=O)c1ccc(Cl)s1 21034467 BSWDEDLBWBPGMY-UHFFFAOYSA-N 438.958 5.053 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1ccc(Br)cc1F 21595436 BLYZMGHCNZCBNJ-DHZHZOJOSA-N 445.313 5.375 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)[C@@H]3CCCN(c4ccc(C)cc4)C3)C(C)C)n2)cc1 22255815 SKEXPTDKWSHGOU-JOCHJYFZSA-N 432.568 5.007 0 40 IKAB O=C(Nc1ccnn1Cc1cccc(Cl)c1Cl)c1ccccc1OC[C@H]1CCCO1 24576117 ANWVCWRFYCJUEQ-MRXNPFEDSA-N 446.334 5.048 0 40 IKAB Cc1c(C(=O)Nc2nonc2-c2ccc(OCC(C)C)cc2)oc2ccc(Cl)cc12 27664091 SDVXPWHEIYWPMT-UHFFFAOYSA-N 425.872 5.732 0 40 IKAB Cc1nn(Cc2cccc(Cl)c2)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 28303798 RVEURLJKTBARLN-UHFFFAOYSA-N 429.951 5.972 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)nn(COc2ccc(Cl)cc2Cl)c1C)c1ccccc1 28305411 STPJRMMBWAAQPX-GOSISDBHSA-N 432.351 5.976 0 40 IKAB O=C(NCCCc1nc2ccccc2[nH]1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 29602464 UFWQIULNLIIEAK-UHFFFAOYSA-N 440.478 5.387 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2c(C)cccc2C)cc1 33459707 GRXWKANGFHBLQV-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2cccc(Cl)c2Cl)o1 34716025 GHRXOAWMIHBXLY-UHFFFAOYSA-N 435.738 6.759 0 40 IKAB CCCOc1ccccc1CCCNC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44851540 TXMZLFPPONXGKV-JOCHJYFZSA-N 429.004 5.090 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2C)cc1 58331345 YWMDWVJRWZCEBX-VGSWGCGISA-N 427.504 5.094 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cccc(C(F)(F)F)c1 67294555 NHCCEODXMCJOKJ-IADYIPOJSA-N 442.824 6.590 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccccc2SC(=O)N(C)C)c2cnn(C(C)C)c2n1 69325207 BXWZLSFYYKOKAL-UHFFFAOYSA-N 425.558 5.162 0 40 IKAB C[C@H](OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl)c1nc2ccccc2n1C(F)F 84667842 HTIKKYOBIJUTPH-LURJTMIESA-N 435.645 5.287 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 89761482 ACIVDRLTBWWRHP-MZKQLWIASA-N 442.588 5.335 0 40 IKAB FC(F)(F)c1cnc(NCCNc2cc(C(F)(F)F)nc3ccccc23)c(Cl)c1 89866643 AOOCKAFNZQIYQQ-UHFFFAOYSA-N 434.771 5.845 0 40 IKAB O=C(NCc1ccc(F)c(F)c1)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 96038054 GBQLKHJVULUXKE-UHFFFAOYSA-N 428.442 5.000 0 40 IKAB O=C(Cc1ccc(Cl)cc1)N1CCC2(CN(Cc3ccc(-c4ccccc4)cc3)C2)C1 96202442 QJBYJMDJUHHSLC-UHFFFAOYSA-N 430.979 5.284 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)c(OC)c1 102665809 WOUXPYKSHMSUPC-JLCFBVMHSA-N 436.899 5.014 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102732996 IUTLYTNICBKNHE-UBFVSLLYSA-N 440.543 5.031 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2CCc2ccccc2)c1 206596250 DAXROIWXDKTITM-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(OC3CCCC3)cc2)c(Br)c1 218884818 ZENXFYPNCAIKEP-UHFFFAOYSA-N 446.385 6.086 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 222918783 XPLSNVDUFXGZNV-RUZDIDTESA-N 444.575 5.710 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223028194 ZYNUBEWPFQTCNH-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 223069995 XTNFFOWXXLWISX-LEWJYISDSA-N 427.957 5.004 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1 223316549 LLOXZSYSTRCAAP-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 223453468 UJMKCUDFOVPCMN-XZOQPEGZSA-N 445.979 5.093 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccn2)cc1C 223549753 ARHYMFFZYJUQBK-JWQCQUIFSA-N 439.588 5.057 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)c1 223798029 JCWSKJWQZYZWLL-HXUWFJFHSA-N 435.539 5.920 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(C)c1 224154521 XTWLWORTCCJFRR-MHZLTWQESA-N 442.603 5.012 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224515906 RLTXZTPENBIITP-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 224754648 RDWRVWFUAXWSDG-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224903077 MDQKAASZEOQDJD-VWLOTQADSA-N 448.994 5.047 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCCC3)sc2c1CCCC2 225655690 GPHXAVUXBFTNNS-OAHLLOKOSA-N 427.566 5.088 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c(OC)c1 257202716 AMZXTMVBBAYELB-IBGZPJMESA-N 434.511 5.233 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2ccnc3ccccc23)CC1 257235562 GYJDEIVMLBZYGD-JOCHJYFZSA-N 438.575 5.273 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Br)c2)cc1 408675867 LKIZUUIDJDVUKB-UHFFFAOYSA-N 449.304 5.199 0 40 IKAB COc1cc(OC)c(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 409055445 YQIVTEDXEGZXEB-NVMNQCDNSA-N 448.338 5.011 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(C)cc2)sc2c1CC[C@H](C(C)(C)C)C2 409059759 OCPKXHLLOZMWIN-HNNXBMFYSA-N 435.611 5.185 0 40 IKAB Cc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 409112266 KYGNXMDOOBOEAG-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCc3ccc(Cl)cc3Cl)n2)cc1 409387007 YOIKTWYHNFVKSN-UHFFFAOYSA-N 429.294 7.070 0 40 IKAB CSc1ccc([C@H]2C3=C(CN(C(C)=O)C3=O)Nc3cccc4c3c2cn4CC(C)C)cc1 524729698 FIRDFFHOSKEHBX-HSZRJFAPSA-N 445.588 5.219 0 40 IKAB biogenic COc1cc(Cl)cc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](CCc3ccccc3)O[C@H]21 585265120 VSOPYSAXZKHLFD-BOFXEDATSA-N 430.928 5.299 0 40 IKAB CCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2cccc(OC)c2)c2ccccc2)C[C@H]1C 797191 QYWZBVFNLPJBNN-IBVKSMDESA-N 442.559 6.009 0 40 IKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Br)cc3)c2c1 952885 CTLLCHNELLZKRI-UHFFFAOYSA-N 443.297 5.094 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc3c(c2)c2ccccc2n3C)cc1 985535 CHALOZHLJVOAIS-HHHXNRCGSA-N 433.511 6.111 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)c1 1102352 KOHBEMQKSHBPQO-UHFFFAOYSA-N 427.548 5.605 0 40 IKAB O=C(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 1363809 ROJZDQYUIYOBQY-HNNXBMFYSA-N 446.732 5.172 0 40 IKAB CCc1ccc(-n2c(SCCc3ccccc3)nc3sc4c(c3c2=O)CCCC4)cc1 2143285 ZXWNLUWUIJGGIR-UHFFFAOYSA-N 446.641 6.223 0 40 IKAB CC(=O)C1=NN(c2ccc(C)cc2)[C@H](c2ccc(F)cc2)N1c1ccc(N2CCCC2)cc1 2177884 AGERXIFICRQMOZ-HHHXNRCGSA-N 442.538 5.662 0 40 IKAB CC(C)(C)[C@H]1CCc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2-c2cccs2)C1 2188407 GCEMRHKMFUKGBW-INIZCTEOSA-N 446.641 6.989 0 40 IKAB C[C@@H]1C[C@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 2261789 YVKCGDJIQAMRDG-VFNWGFHPSA-N 426.347 6.977 0 40 IKAB COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c1=O 2667596 PUZUZDZOCLJMLW-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB biogenic Cc1ccc(-c2csc(NC(=O)[C@H](Sc3ccccc3)c3ccccc3)n2)c(C)c1 2748229 KPSIGYNSERYEBN-HSZRJFAPSA-N 430.598 6.899 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 2767242 BFXLYVVNEZCVEZ-CVEARBPZSA-N 449.956 5.383 0 40 IKAB O=c1c(-c2ccccc2Cl)coc2cc(OCc3ccc(Br)cc3)ccc12 2886666 JGZAETUGKVQBKZ-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 3134823 RLGDVYSIBWKRLB-UHFFFAOYSA-N 434.388 7.184 0 40 IKAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3316454 AWZNNCVQUXRBKL-UHFFFAOYSA-N 447.865 6.993 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)Nc1nc(-c2ccc3c(c2)OCO3)cs1 3323248 WUACONONDOVMCN-UHFFFAOYSA-N 430.485 5.223 0 40 IKAB O=C(COc1ccccc1Cc1ccccc1)Nc1cc(Cl)ccc1N1CCCCCC1 3350777 CCEUQWBPORHXKG-UHFFFAOYSA-N 448.994 6.329 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 3407479 KSFGZEJMMQICCH-NRFANRHFSA-N 446.532 5.058 0 40 IKAB CCCOc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 3666941 XXGMWZFMNJVVJU-QFIPXVFZSA-N 427.331 6.553 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 4104793 NJICGAVMYWKCMW-HSUNHJJFSA-N 442.728 7.738 0 40 IKAB COC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4934076 WHMGDIMLSAAHJQ-OHPSOFBHSA-N 444.700 8.179 0 40 IKAB in-vitro O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1c(/C=C/c3ccc(Cl)cc3)ccc(=O)n1C2 5441156 QMNISLAOZDLMIL-ZORGVRQLSA-N 436.983 5.198 0 40 IKAB biogenic,in-vitro CCN(CC)CCCN(C(=O)c1ccccc1C)c1nc(-c2ccc(OC)cc2)cs1 6511308 CPIXNXHUKRHVDE-UHFFFAOYSA-N 437.609 5.506 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 6601766 JIYGUEBKZPURAW-UPVQGACJSA-N 449.348 6.090 0 40 IKAB CCOC(=O)c1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(F)c(Cl)c4)c3c2c1 8595102 LUFXJOBTIJZCLJ-UHFFFAOYSA-N 445.881 6.210 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3cccc(C)c3)CC2=O)cc1 8752270 URVSRZJELYLZMN-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1cccc(Cl)c1 8810313 UEMLYFQWJRLHMC-UHFFFAOYSA-N 438.952 5.123 0 40 IKAB Cc1cc(C)c2c(-n3cccc3)c(NC(=O)Nc3cccc(C(F)(F)F)c3)sc2n1 8857363 PRDSQXTYDVVFAL-UHFFFAOYSA-N 430.455 6.367 0 40 IKAB COc1cc(-c2cc(OC)c3c(C)oc(C)c3c(=O)c2)ccc1OC(=O)c1ccccc1 8877247 UPBAUJDDYQJSKJ-UHFFFAOYSA-N 430.456 5.313 0 40 IKAB biogenic Nc1c(Br)cc2oc(-c3ccc(Br)cc3)nc2c1Br 9088518 IUGZCLNRHKYSTJ-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB CC(C)(C)c1cc(Cl)c(O)c(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 9142413 KOGWXTAIFNOXHE-UHFFFAOYSA-N 447.387 6.277 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 9435751 ZDVFMUKSJKBTKY-RBBKRZOGSA-N 429.734 6.889 0 40 IKAB CCCc1sc(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)cc1CC 9824739 LQCNEVNGACHNNN-UHFFFAOYSA-N 433.879 5.731 0 40 IKAB Cc1cc(=O)c(C(=O)Nc2ccccc2Cc2ccccc2)nn1-c1ccccc1Cl 9861727 BTFUPKLLFIUXEY-UHFFFAOYSA-N 429.907 5.037 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccccn3)C(=O)Cc3ccc(C)cc3C)nc12 10186768 ZGMIWDCEDAACRP-UHFFFAOYSA-N 447.560 5.101 0 40 IKAB COc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 11151726 GXCUWWMEMWDQAW-UHFFFAOYSA-N 438.940 5.162 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)CCc4ccccc4)n3)ccc21 12220032 RZZCWHWVGXSMDP-UHFFFAOYSA-N 447.604 5.341 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 12551870 XJRHBMBQNQNBFJ-UHFFFAOYSA-N 441.358 5.613 0 40 IKAB Cc1cc(C)c2cc(CN(C(=O)Nc3ccc(Cl)cc3)C3CCCCC3)c(=O)[nH]c2c1 12705014 LRJKYJYSTJUAEQ-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)CN[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 12802661 HLMSCAFDILTRBM-VWLOTQADSA-N 449.982 5.140 0 40 IKAB CC(C)[C@H](NC(=O)/C=C/c1cc(Br)ccc1F)c1ccc2c(c1)OCCCO2 13095807 IENOACPYPIBSLB-XPUAEESYSA-N 448.332 5.276 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)Nc3ccc4c(c3)OCCO4)cc12 13098820 RQEUBUCFHBAOIT-UHFFFAOYSA-N 439.924 5.131 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)NCc2ccc(-c3csc(C)n3)s2)no1 13118035 FIYZFRYNBICCRD-UHFFFAOYSA-N 441.603 5.699 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 13138032 NLYHBJMUOPAJFH-UHFFFAOYSA-N 428.315 5.697 0 40 IKAB Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1 13564919 WRWUNQJYKWYCRT-UHFFFAOYSA-N 435.568 6.205 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 13635041 BEALGGZSLQIZPC-LJQANCHMSA-N 426.314 5.039 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN23)c1 13769283 CUUHNKSDTZCGIL-YKSBVNFPSA-N 434.879 5.320 0 40 IKAB FC(F)n1c(CSc2nnc3c(Cl)cc(C(F)(F)F)cn23)nc2ccccc21 14902669 BVWFSMYOFPRSRU-UHFFFAOYSA-N 433.793 5.439 0 40 IKAB CC(C)Cc1nnc(-c2cc3ccccc3n2CC(=O)Nc2ccc(Cl)c(Cl)c2)o1 15881593 QOZAZFQXSROLFC-UHFFFAOYSA-N 443.334 5.835 0 40 IKAB COc1cc(NC(=O)c2ccc3ccccc3c2)ccc1NC(=O)c1ccccc1Cl 17097222 MRWXUYSBEGFRMJ-UHFFFAOYSA-N 430.891 6.006 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294150 YZMNALVWKRSWEU-UXHICEINSA-N 443.526 5.094 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 19630939 ZHVAVFCVPQYLEW-UHFFFAOYSA-N 439.968 5.749 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4C)sc3c2)cc1 20894870 SXTZASMIAYKGJV-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl 22510811 OMYXMARQLKTLDC-JOCHJYFZSA-N 431.960 5.839 0 40 IKAB O=C(c1cc(Cl)ccc1Cl)N(CCn1cccn1)c1nc2c(F)cccc2s1 23144895 WWDYVNAZMTUOAB-UHFFFAOYSA-N 435.311 5.286 0 40 IKAB Cc1cc2oc(C(=O)Nc3cc(-c4ccc(Br)cc4)no3)c(C)c2cc1C 28287046 XXSIGMCHEBJNQB-UHFFFAOYSA-N 425.282 6.028 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccccc3Cl)N3CCCCC3)cc(=O)c2c1 28289012 GRNASWDDIHBRKY-NRFANRHFSA-N 438.955 5.020 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)c1 38652910 IZCLQRLRSNPONK-UHFFFAOYSA-N 428.579 5.257 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(CN2CCc3ccccc32)cc1)c1ccccc1 38754701 HXTBEXBISSGHMG-LJAQVGFWSA-N 432.567 6.077 0 40 IKAB COc1ccc(-c2n[nH]c3ccc(Nc4cc(-c5ccccc5)nc(SC)n4)cc23)cc1 41181221 UVXNCHMAXPFWRO-UHFFFAOYSA-N 439.544 6.161 0 40 IKAB Cc1cc2ncn(CC3CCN(CC(=O)Nc4ccccc4C(F)(F)F)CC3)c2cc1C 42381127 JLKLWLZBUKWYKP-UHFFFAOYSA-N 444.501 5.023 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)ccc21 44949231 JDRGYKZZTCOBCU-UHFFFAOYSA-N 441.940 5.092 0 40 IKAB Cc1oc(-c2cccc(Cl)c2)nc1CSc1nc(O)cc(-c2cccc(Cl)c2)n1 45924669 PHILEHNXSADJFH-UHFFFAOYSA-N 444.343 6.412 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1cccc(Cl)c1 57472649 JQXJXNRVLKQAIU-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB Cc1ccc(Nc2nn(CN(CC(F)(F)F)CC(F)(F)F)c(=S)s2)cc1C 58343165 FQGIFRWSJZWSQU-UHFFFAOYSA-N 430.443 5.419 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1ccccc1F 59186120 NNYFRQQMHSCNDU-ZDLGFXPLSA-N 443.396 5.925 0 40 IKAB Cc1cc(C)n(-c2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4Cl)c(C)c3s2)n1 72228624 HOSMWYIDPBJXIC-UHFFFAOYSA-N 445.375 6.275 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3[C@@H](C(=O)NCCC(C)C)[C@H]2c2ccsc2)cc1 95929199 VVOIPIOEQBNGNG-DNQXCXABSA-N 448.588 5.404 0 40 IKAB CC(C)n1cnc2c(-c3cccnc3)nc(C3CCN(C(=O)c4ccsc4)CC3)cc21 96100017 WXNJHOHNUUORNX-UHFFFAOYSA-N 431.565 5.156 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@]2(O)C1 118912637 XGBHFLNWQIPOQW-DAECALLPSA-N 446.716 7.154 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1ccc(CSc2ccccc2)cc1 219676170 VOJVYQSGGLVATM-INIZCTEOSA-N 442.378 6.147 0 40 IKAB CC(C)CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223359107 AJHXYOZNFYLHIJ-NDEPHWFRSA-N 442.603 5.552 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 223769181 KCVQKRIIBICTFV-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C)c(Cl)c3)c2)c1 224134004 RJUGXNDQQGXVQO-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 224270841 WWMQYXNUSXXBNT-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccccc1C(C)(C)C 224508011 ANAWSEPXYWRUNM-HXUWFJFHSA-N 431.576 6.453 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)cc1Cl 224526150 MTLSKEWNAKLCGN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccccc2)o1 224615657 JOPLIUQKVKFZBX-XZOQPEGZSA-N 445.569 5.709 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)[nH]1 224654736 POOHMHGEEXSSJN-ZEQRLZLVSA-N 426.545 5.688 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(C)C)cc3)o2)cc1 224917472 QWTGMAUYJNWFNP-UHFFFAOYSA-N 426.516 6.783 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225015108 MVQWYPYRJLVNNO-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225055646 QDSRYLFDPVQJEZ-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225201116 MWJFNSDVLOPPMB-WOJBJXKFSA-N 443.031 5.728 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 225206242 HGOFNUGAFBPCJH-RTBURBONSA-N 445.003 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225338405 MLOOPWAVCQBJIG-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225659567 DXLAMKVJSYAUHL-HXUWFJFHSA-N 434.674 7.022 0 40 IKAB COCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCCCC2)cc1C(F)(F)F 225955787 HXONXJHTCQKMIL-UHFFFAOYSA-N 435.486 5.880 0 40 IKAB C/C(=C\CC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)c1ccccc1 251532042 KGICHBLSYNZKLD-KGSNKTJZSA-N 446.719 8.446 0 40 IKAB O=C(c1cccnc1-c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257274568 NLPOVONPXDTMHO-FQEVSTJZSA-N 448.523 5.290 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cccc5cccnc45)C3)c2)cc1 257276527 NUDBDLAQIIBMJS-JOCHJYFZSA-N 437.543 5.634 0 40 IKAB CC1(C(=O)N2CCC[C@@H](c3nccnc3Oc3ccccc3)C2)CCN(C2CCCC2)CC1 257329518 XKHSTYZRNNTAQV-OAQYLSRUSA-N 448.611 5.020 0 40 IKAB CSc1nc(N2CCCC2)c2cc(C(=O)Nc3ccccc3C(F)(F)F)sc2n1 408636130 LLRNUMSXHXIULB-UHFFFAOYSA-N 438.500 5.285 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 408668366 WJQOHKPEQKXEIP-IQGAEYHTSA-N 446.330 5.020 0 40 IKAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Br)c2)cc1 408675858 LJGAKADTWZHRKW-UHFFFAOYSA-N 433.305 5.499 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2ccc(C)c(Cl)c2)cc1 408697378 GVBIHXJPVGBMML-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(Br)c2c1-c1nc(Nc3cccc4ccccc34)sc1CC2 408895113 TVJOQKQNMYGFTC-UHFFFAOYSA-N 437.362 6.577 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Cl)cc2)N[C@@H]1c1ccccc1OCC 408989725 LSYDXXZIWQHSEO-OAQYLSRUSA-N 444.984 5.510 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)c(C)c1 409110029 PXTKYOIWBRSWIK-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB COc1ccc(/C=C(/C(=O)N2CCN(c3cccc(Cl)c3)CC2)c2ccccc2)cc1 409121727 VWZIXCPUONFQIG-XIEYBQDHSA-N 432.951 5.238 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)c1 409133935 NYSWGIPUXWJXQB-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409153252 MGQKKDRASBGBMI-UHFFFAOYSA-N 443.956 5.264 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1Cl 409184054 WISDMXRZAMTKGK-WPFQWDPVSA-N 442.990 7.197 0 40 IKAB O=C(COc1ccc(CNc2ccc(Cl)cc2)cc1Br)Nc1ccccc1 409262140 FLBCCMNJJVCTJQ-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)CC1 2037834959 LTKZFPFNWRLOEA-QGZVFWFLSA-N 440.975 5.629 0 40 IKAB Cc1cc(C)cc(Nc2nc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)cs2)c1 855373 DHILPZRGIGPYMN-UHFFFAOYSA-N 427.595 5.345 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O 884514 JGHVMRXJMCMNKG-UHFFFAOYSA-N 449.601 5.306 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1cc(F)ccc1F 901240 UAXSDBPPVDBFEY-NSHDSACASA-N 439.409 5.560 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC(=O)[C@]12C 1318432 XRLBQELEYBVDHJ-FBEQQOCMSA-N 444.612 5.265 0 40 IKAB Cn1nc(C(F)(F)F)c2cc(-c3nnc(SCc4ccc(Cl)cc4)o3)sc21 1401895 JHIIOPQUIREEKN-UHFFFAOYSA-N 430.864 5.649 0 40 IKAB COc1cc([C@H]2C[C@](C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1643577 VIOSAMYWANJHLU-NIYFSFCBSA-N 449.503 5.184 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(C)c(Cl)c(C)c2)sc2c1CCCC2 1956783 OZPLLBIVEJTDMY-CQSZACIVSA-N 435.973 5.480 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Oc1ccc(-c2ccccc2)cc1 2134659 XPNRSXKMHQBYGN-UHFFFAOYSA-N 433.301 6.254 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SC/C=C/c4ccccc4)c23)CO1 2211198 SIIYVYYLBRCNSP-YVWYTEFXSA-N 428.648 6.460 0 40 IKAB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cccc(OC)c1 2329749 YPAWUSKYTZETQJ-UHFFFAOYSA-N 442.555 7.170 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1nc2ccc(F)cc2s1 2338456 DPUZZGPQRSKCLZ-FQEVSTJZSA-N 446.434 5.431 0 40 IKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)c1ccccc1 2354752 PCDFVSXWLASOAJ-XMMPIXPASA-N 425.981 6.024 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1nc(-c3ccc(Cl)cc3Cl)nc21 2422823 AODIZJNVMWBWQK-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB O=C(Oc1ccc(Sc2ccc(OC(=O)c3cccs3)cc2)cc1)c1cccs1 2534515 JCIBYNVADUZXCS-UHFFFAOYSA-N 438.551 6.399 0 40 IKAB O=C(CSc1nc(Nc2ccc(F)c(F)c2)c2ccccc2n1)c1ccc(F)cc1 2949043 BRKWOWXQZRWDAT-UHFFFAOYSA-N 425.435 5.766 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccccc1-c1nc2ccccc2s1 3241275 ULCIYUSELBSYPE-AREMUKBSSA-N 449.531 6.744 0 40 IKAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc(-c2ccco2)nc2ccccc12 3244564 WNTRKZRPBPAQMM-UHFFFAOYSA-N 429.476 5.356 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 3329882 CKOGDJIFLRMTQU-MDWZMJQESA-N 442.298 5.981 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(OCC(C)C)cc2)cc1 3655484 BHQIHGNBRMPNKK-UHFFFAOYSA-N 427.500 6.259 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NCc2ccccc2CN2CCCCC2)c2ccccc2)c1 8749991 PGDZJCISDVQEPM-MUUNZHRXSA-N 441.619 5.759 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)CSc2nnc(-c3ccco3)n2C2CCCCC2)cc1C 8851910 PVXJMFGTTMULTE-GOSISDBHSA-N 438.597 5.630 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@@](=O)c1cccc(C(F)(F)F)c1 8857017 ZTSSTXCLTNSOBX-PMERELPUSA-N 428.431 5.990 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1 8869920 NEWANSVJNXBMHV-SFHVURJKSA-N 442.770 5.542 0 40 IKAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2cccc3ccccc23)CC1 8904414 PHRQIFRWIYTWKF-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB c1ccc(C2=NN(c3ccc(-c4sc5ccccc5[s+]4)cc3)[C@@H](c3ccccc3)C2)cc1 8951166 NVGHCIBPGRGAEE-RUZDIDTESA-N 449.624 8.267 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4Cl)nc3c2)cc1 9064780 HMMKMLWKNLNMGT-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(Oc2ccccc2)cc1)c1nc2c(F)cccc2s1 9151917 VJBOKHCSSNXLKM-UHFFFAOYSA-N 449.551 5.826 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1OC 9158458 GPWQYIAEUMUSGJ-GBXCKJPGSA-N 438.886 5.739 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2nonc2-c2ccc(OCC)c(OCC)c2)cc1 9194962 WUTPGRUEHZORDJ-UHFFFAOYSA-N 439.512 5.355 0 40 IKAB COc1ccc(C(=O)Nc2ccc(-c3nc4c(ccc5ccccc54)o3)cc2)cc1Cl 9225969 YGZXXTQDGZUHQZ-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)Nc2nc3ccccc3n21 9292272 OLTVZUDKSIEUPR-RBBKRZOGSA-N 438.358 6.888 0 40 IKAB CCOc1ccc(NC(=O)c2cc(Br)c(Br)s2)cc1OCC 9316125 PLASUAOXJYTATK-UHFFFAOYSA-N 449.164 5.323 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 9338156 VXKOSXFUYVMQIW-INIZCTEOSA-N 436.606 5.451 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(-c2ccccc2)nc2ccccc12 9404914 KUDDDLLEKIBISX-UHFFFAOYSA-N 440.506 6.697 0 40 IKAB COc1ccccc1-c1c(C)noc1-c1ccc(OCc2c(F)cccc2Cl)cc1O 9409969 QCPITSHJBXRPCK-UHFFFAOYSA-N 439.870 6.403 0 40 IKAB biogenic COc1ccc(CNC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 9493430 NSLICBPZQDCFHI-HNNXBMFYSA-N 435.574 5.164 0 40 IKAB Cc1c(Cl)ccc2sc(N(Cc3ccccn3)C(=O)c3ccc(Cl)s3)nc12 9545219 KVPLQDYFDDFMNG-UHFFFAOYSA-N 434.373 6.215 0 40 IKAB CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 9640214 CHCHHYMGNQUFET-IBGZPJMESA-N 428.579 5.107 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccc(C)cc3)c(=O)c3cc(Cl)ccc32)cc1 9856200 KNQMKPQMQIUOSY-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB C[C@H](Sc1nnc(-c2ccncc2)n1Cc1ccccc1)C(=O)c1ccc2c(c1)CCC2 9953738 LHERIPJZZSBDJP-SFHVURJKSA-N 440.572 5.241 0 40 IKAB COc1ccc(-n2nc3cc(C)c(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 9969890 KABBUAFYHAXNHH-UHFFFAOYSA-N 444.535 5.187 0 40 IKAB O=C(CCCSCc1ccccc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 10618813 GWPPXWIRQSHBOC-UHFFFAOYSA-N 426.563 5.233 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC)cc12 11866442 XUQUMQCWSGPGKA-UHFFFAOYSA-N 445.471 5.546 0 40 IKAB biogenic CCc1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccccc3)nc3ccccc23)cc1 12062669 QVSWDHPLLVFFRQ-UHFFFAOYSA-N 446.550 6.900 0 40 IKAB O=C(c1cc2ccccc2s1)N1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 12375986 SPARADHATUHZAM-VWLOTQADSA-N 447.003 6.102 0 40 IKAB Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(=O)c2ccc(Br)cc2)cc1 12484662 FXBPIMHTHFYOBH-UHFFFAOYSA-N 428.351 5.919 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12493469 NJAPCBLKTQMXPS-UHFFFAOYSA-N 430.375 6.479 0 40 IKAB Cc1nc(CSc2ccc(C(=O)N[C@H](C)c3ccc(-n4ccnc4)cc3)cc2)cs1 12547234 WLDYRULOTWOUAO-MRXNPFEDSA-N 434.590 5.421 0 40 IKAB CCCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 12566647 FLMFWVDWUNMRBH-UHFFFAOYSA-N 448.455 6.447 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 12659007 MBHVXXVXJCFWMT-XLVZBRSZSA-N 443.612 7.686 0 40 IKAB biogenic COc1ccc(Br)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)o2)c1 12903947 UUUASFQJTKBLEF-UHFFFAOYSA-N 443.322 5.257 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(Cl)cc2)N2CCOCC2)c1C 13059217 VLASYHCANLAGRI-QFIPXVFZSA-N 440.996 5.692 0 40 IKAB Cc1ccc(Cn2c(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@H]3C)nc3ccccc3c2=O)cc1 13128427 NYCDSYQGKJMODO-HSALFYBXSA-N 449.620 5.023 0 40 IKAB Cc1cc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2C)c(C)c1 13128902 MEUISGFRVPOKMP-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB C[C@@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(Cl)ccc3Cl)c2C1 13133769 CYQBCFMVSTUGBR-CYBMUJFWSA-N 443.330 5.462 0 40 IKAB Fc1ccccc1[C@@H]1CC(c2ccc(Cl)cc2)=NN1c1ccc(Br)cc1 13424672 ZVIZGNNSIIPRDJ-NRFANRHFSA-N 429.720 6.597 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)CSc2nccc(C)n2)[C@@H]1c1ccccc1 14608069 KEMBUMVYNWSFBD-JOCHJYFZSA-N 429.549 5.003 0 40 IKAB Cc1ccc(-c2csc3nc(CS[C@H](C)C(=O)N(C(C)C)C(C)C)[nH]c(=O)c23)s1 15494974 JJMZCSQZHYWTAV-CQSZACIVSA-N 449.667 5.289 0 40 IKAB C[C@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)N[C@H]1CCCc2ccccc21 16046136 JFMIPYIQRPHMAN-GUYCJALGSA-N 428.558 5.095 0 40 IKAB CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1 16750379 XTCWAGQQNFIFQF-VWLOTQADSA-N 439.511 5.152 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)c(O)n1 16777491 CIGURVSDVKZJNA-UHFFFAOYSA-N 442.972 5.234 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccco1)Nc1cccc2ccccc12 16805131 BTLMSQTWNQKFAE-UHFFFAOYSA-N 446.557 5.532 0 40 IKAB COc1ccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)cc1OC 16848905 OGLXUNLBWCSWQW-UHFFFAOYSA-N 441.940 5.305 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 17095612 QAOCWBCSIWKBHP-UHFFFAOYSA-N 427.751 5.018 0 40 IKAB CCc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 17970945 ZVBJMQNTKVGGNM-PFBJBMPXSA-N 448.522 5.453 0 40 IKAB Cc1ccc2nc([C@@H]3CCCN3C(=O)CCc3c(C)nn(Cc4ccccc4)c3C)[nH]c2c1 19221519 GDBAMEXKACHDBH-VWLOTQADSA-N 441.579 5.029 0 40 IKAB CCn1nc2c(c1C(=O)N1CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC1)CCCC2 19691203 MCSLHDKHWNVNOY-UHFFFAOYSA-N 446.570 5.311 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 20451014 SZUSTHQRWKNIOS-ROUUACIJSA-N 434.561 5.306 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3n2)cc1 20609928 JRUKICGRHUMZAO-UHFFFAOYSA-N 434.499 5.560 0 40 IKAB CCc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 20970397 VLXWZWJJQZWFIW-XMMPIXPASA-N 442.950 6.180 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1cccc(C)c1 21005763 SSGZYKFAGMASOJ-DEOSSOPVSA-N 427.479 5.473 0 40 IKAB Cc1nc(S[C@@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)n(C[C@@H]2CCCO2)c1C 21568061 GGEYCMVUZRFYND-GUYCJALGSA-N 428.385 5.105 0 40 IKAB COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1cccs1 22107599 YIANCKYYAJWQJT-UHFFFAOYSA-N 426.969 5.803 0 40 IKAB Fc1ccccc1COc1ccc(Cl)cc1CNn1c(-c2ccccc2)n[nH]c1=S 22110242 ATIAHTMYZBIBAU-UHFFFAOYSA-N 440.931 5.723 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1 26089620 JVSNAZWMYFOUBL-UHFFFAOYSA-N 435.574 5.301 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)sc2c1 32119121 NCTVWAVZDRQSJW-UHFFFAOYSA-N 441.622 5.801 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 32685440 HOEBIAZOJYLRKV-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1cccc2cc(C(=O)N(CCn3nc(C)cc3C)c3nc4ccccc4s3)oc12 35597612 VHRMOSMCPPFPII-UHFFFAOYSA-N 446.532 5.211 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccccc3C(F)(F)F)cnc2c1-c1ccccc1 38829711 LORCRHRXBCYHSX-UHFFFAOYSA-N 440.425 5.122 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3cn(CC(C)C)c4ccccc34)N(C)C2=S)cc1 39556528 ABGXCSZNMSNKNF-UCQKPKSFSA-N 433.577 5.300 0 40 IKAB Cc1ccc2c(Nc3ccc(C(F)(F)F)cc3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005181 HIBOMKGTBACGTO-HNNXBMFYSA-N 428.458 5.715 0 40 IKAB CCC(=O)Nc1ccc2nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)sc2c1 59497882 LVTYLOIHZFLFFG-UHFFFAOYSA-N 439.484 5.394 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)CCc3ncc(-c4ccccc4F)o3)cc2)n1 65586238 JHEVWFXAMCXMQX-UHFFFAOYSA-N 448.523 5.610 0 40 IKAB CCOc1cc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(F)cc23)ccc1OC 67288547 SRSUBNYWQFXYCT-UHFFFAOYSA-N 437.515 5.019 0 40 IKAB Cc1cccc(I)c1-c1c(C)cccc1I 95486384 UKZXGBNQRZGWQM-UHFFFAOYSA-N 434.058 5.180 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4cccnc4)nc3)cn2CC2CC2)cc1Cl 96037781 HESZUYFILRVISH-UHFFFAOYSA-N 443.938 5.631 0 40 IKAB CSCC[C@H](NC(=O)c1nc(C)sc1Cc1ccccc1)c1nc2ccccc2[nH]1 96230733 ZWEXAFZOKZXAJO-IBGZPJMESA-N 436.606 5.143 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3cccs3)[C@H](c3ccc(F)cc3)C2=C(O)C1 100141910 PFZLSJHVJFSPLG-XMMPIXPASA-N 446.547 6.994 0 40 IKAB CC/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)C(=O)N1CC 109596574 AAMTVNPOPSFPSV-LISDSOCTSA-N 444.984 5.630 0 40 IKAB COC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118916591 WHMGDIMLSAAHJQ-AESDPALKSA-N 444.700 8.179 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)NCCSCc1ccccc1Cl 218942955 FDIWRJIHCXWRGP-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 222453789 XYQRVQIEHVKYQH-SANMLTNESA-N 430.592 5.413 0 40 IKAB CC[C@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 222539096 PBVCUKVYSNGUHA-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CCCN(c1cccc(Cl)c1C)S(C)(=O)=O 222666857 WXQNLIZGBZUBSE-UHFFFAOYSA-N 437.005 5.265 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 222705930 JRSPQRWYQMMQSH-TYCQWZJGSA-N 442.510 5.871 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222786573 DIRLEEGOOCOEGY-KRWDZBQOSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 223180052 LPXMMDSSGYMZHT-QFIPXVFZSA-N 426.626 5.118 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 223367944 SLRDRWUKAVKACI-GOSISDBHSA-N 449.422 5.486 0 40 IKAB OCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223632075 KQJDOIWDXMXHAQ-UXHICEINSA-N 448.375 5.003 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224117797 WNYIGZURZFUAIH-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)cc1 224148580 MLWJSCVOWVTQDL-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224258120 PIWBLQZRTHNRQF-MHZLTWQESA-N 442.603 5.461 0 40 IKAB CCN(c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1 224361881 JGCHQILZOKYUEX-UHFFFAOYSA-N 449.359 5.461 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224504397 ODAHKHHDLVBKBJ-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c(C)c1 224545529 MBXUUPITMFWDLI-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1ccc2ccccc2c1 224638527 MBEKOGJHVOOQRK-UHFFFAOYSA-N 429.560 6.438 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224950415 WDKYPJWSZNSSAN-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 225138904 PQDIQVINSBSECI-GOSISDBHSA-N 433.017 5.156 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225249750 CQZGCHJATFQGEG-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCCCC4)cc3)CCCC2)cc1 225531746 SUCAHQJDBYDXOA-UHFFFAOYSA-N 436.596 5.401 0 40 IKAB CC(C)(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)[nH]n1 257201765 AIZMIALOQGRGRN-IBGZPJMESA-N 426.948 5.307 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4c(OC)cccc4OC)C3)c2)cc1 257231336 GGFWRCBXQCNVKQ-HXUWFJFHSA-N 446.547 5.103 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H](c2cccc(-c3c(F)cccc3F)n2)C1 257323264 WJKNGPBZTCAHOK-DEOSSOPVSA-N 447.485 5.041 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)C(=O)[C@H]2C1 408683036 MGNPGGSOORPMOA-IRXDYDNUSA-N 429.303 5.091 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc(C)c1Cl 408705586 JBILRXHZSZETDA-AWEZNQCLSA-N 430.372 5.566 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 409077635 GEPJQPVHRJSGIF-AQTBWJFISA-N 434.483 5.698 0 40 IKAB CCc1ccccc1NCc1cc(Br)c(OCc2ccccc2F)c(OC)c1 409111145 BWJSEOQYLZHEIT-UHFFFAOYSA-N 444.344 6.350 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Oc3ccccc3)cc2)cc1OC 409118680 PKZZNQLMHVTQCU-UHFFFAOYSA-N 442.353 6.651 0 40 IKAB COc1ccc(C(=O)N2CCCCCCN(Cc3ccccc3)CCC2)c2ccccc12 643561915 KDXBDJNNMYBIMP-UHFFFAOYSA-N 430.592 5.757 0 40 IKAB Cc1ccccc1CN1CCCCCOc2ccc(C(=O)O)cc2Cc2cccc(c2)C1 643582939 ACIUZDZPAHNNOC-UHFFFAOYSA-N 429.560 5.849 0 40 IKAB O=C(CCC1CCC1)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643588421 GRVPCIQKNXSSDZ-UHFFFAOYSA-N 432.652 6.956 0 40 IKAB COc1ccc(Nc2nc(-c3ccccc3)c(C(=O)Nc3ccc(C)c(C)c3)s2)cc1 710255 NOPYPGRYTOOGKB-UHFFFAOYSA-N 429.545 6.431 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C(=O)Nc2ccccc2C)c1C 778384 VSAQAPMMNGQCJP-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)NC(=O)N1 820852 VBNHDUBGEKCAIG-NRFANRHFSA-N 435.568 5.254 0 40 IKAB O=C(Oc1ccccc1)c1ccc(NC(=O)c2ccccc2C(=O)c2ccccc2)cc1O 942394 WTQNDVODKQDDEC-UHFFFAOYSA-N 437.451 5.095 0 40 IKAB CCOc1ccccc1-n1c(-c2ccc(F)cc2)cnc1SCC(=O)NC1CCCC1 1355500 VJIXGMZNYWCGGC-UHFFFAOYSA-N 439.556 5.228 0 40 IKAB Cc1cc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1Cl 1904338 MKARQFAZIJLTKL-UHFFFAOYSA-N 439.342 6.148 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)COc1ccccc1Cl 2290106 UIHWCEJNMCNTQC-UHFFFAOYSA-N 434.007 6.520 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 2297902 JWJSKDDXHKBQPS-XMMPIXPASA-N 428.467 5.209 0 40 IKAB CCCCCn1c(NS(=O)(=O)c2ccc(Cl)cc2)cc2nc3ccccc3nc21 2311569 MMHYXIKZVXYNKD-UHFFFAOYSA-N 428.945 5.229 0 40 IKAB CCCCCCn1c(O)c(C(=O)Nc2ccc(Br)cc2)c(=O)c2ccccc21 2317252 GGDAOIUDIMTNRS-UHFFFAOYSA-N 443.341 5.302 0 40 IKAB O=C(COC(=O)c1cccc(C(F)(F)F)c1)Nc1c(Cl)cc(Cl)cc1Cl 3297352 VZAGSWRXRSOKJY-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)csc2C1 3400342 UHURPIRNOIUONF-MRXNPFEDSA-N 437.586 5.820 0 40 IKAB CC(=O)Oc1ccc(-c2ccc(C(=O)N[C@H](C)c3ccc(Cl)c(Cl)c3)cc2)cc1 3414150 KXYJOYOAVTVSKD-CQSZACIVSA-N 428.315 6.077 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1Cl 3664102 FZKJLMZNKFFLEP-HXUWFJFHSA-N 427.729 6.182 0 40 IKAB Oc1ccccc1/C=C\c1ccc(-c2cc(-c3ccccc3)cc(-c3ccccc3)[o+]2)cc1 4551917 OKJYKDQIGPYCKE-SDXDJHTJSA-O 427.523 8.438 0 40 IKAB CCc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCC2)cc1 6134851 YWBPWPGVNUEIPA-UHFFFAOYSA-N 433.621 5.849 0 40 IKAB 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]3OC(C)=O 8382428 PMJBQFRZSVOFFB-OSFGXRAKSA-N 448.644 5.137 0 40 IKAB biogenic,in-vitro O=C(CSc1nnc(Nc2ccccc2)s1)Nc1ccc(Oc2ccccc2)cc1 8871583 LOTZJKVTVKAEPH-UHFFFAOYSA-N 434.546 5.805 0 40 IKAB CSc1ccc([C@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 9124432 CDITWNYKUCODQM-VWLOTQADSA-N 441.556 5.292 0 40 IKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)Cc3ccc4c(c3)OCO4)sc2c1 9522256 QBPVCDXMLDLVJB-UHFFFAOYSA-N 430.529 5.418 0 40 IKAB COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(Cl)c5)CC4)c23)cc1 9527749 ONEWYKJLXUUHJT-UHFFFAOYSA-N 436.968 5.347 0 40 IKAB CCc1ccc2nc(N3CCN(C(=O)C(c4ccccc4)c4ccccc4)CC3)sc2c1 9540747 ZCYAHWROOVOJJJ-UHFFFAOYSA-N 441.600 5.339 0 40 IKAB Cc1ccccc1Cn1cc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)on2)cn1 9597896 GDGMBWJZDXVQKK-UHFFFAOYSA-N 427.291 5.454 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 9672273 BGGMBNPZOCTFMO-LJQANCHMSA-N 431.458 5.208 0 40 IKAB CCN(CC)C(=O)[C@@H](Sc1nnc(-c2ccoc2C)n1-c1ccccc1)c1ccccc1 9790861 UVGTZAZQEKQPRS-QFIPXVFZSA-N 446.576 5.538 0 40 IKAB CC(C)n1c(SCC(=O)Nc2cc(F)ccc2F)nnc1-c1cc2ccccc2o1 10174766 LXIMEZMEFWOFTK-UHFFFAOYSA-N 428.464 5.281 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 12496919 KQLKAOGYCCLZNV-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 12528063 FKUFYGKZRZDOMR-HZPDHXFCSA-N 444.580 5.142 0 40 IKAB COc1ccc(-c2nn(CN3CCC[C@H]3c3ccc(OC)cc3)c(=S)n2C(C)C)cc1 12787478 UCZTXHRSKZZTQY-QFIPXVFZSA-N 438.597 5.474 0 40 IKAB Cc1ccc(-c2csc(CC3=NC(=O)[C@@H](CC(=O)Nc4ccccc4C)S3)n2)cc1 12793424 OHJNFCSTBRNYDS-LJQANCHMSA-N 435.574 5.039 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)c1 12811176 XRROKZQWYKDQCT-NRFANRHFSA-N 449.967 5.405 0 40 IKAB C[C@@H](Sc1nc(CCC2CCCC2)n[nH]1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12910755 DTPVLPJUTHBNIE-LLVKDONJSA-N 446.926 5.719 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc5c(c4)CC(=O)N5)c23)cc1 12984010 OBBXVPFRYISSRH-UHFFFAOYSA-N 431.542 5.136 0 40 IKAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccccc1OCc1ccc(Cl)cc1 13098691 GTXVLIZFTUCNDG-DTQAZKPQSA-N 440.930 6.737 0 40 IKAB COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3cccc(C)c3)c(Cl)nc2c1 13562053 IVTFQAGMACGXEW-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB O=S(=O)(Cc1ccccc1Cl)Nc1ccccc1SCc1ccc(Cl)cc1 13646042 MBPNPWVILVFLNN-UHFFFAOYSA-N 438.401 6.228 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)c(C)c2)cc1 13770401 LICZYZOKOSFQNC-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c(C)c1 13936105 LJOBFOOHYMCJKG-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c2ccccc21 13942469 VDXSXCLKNDTBPO-DCFHFQCYSA-N 440.518 5.709 0 40 IKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)cc1 15230374 GEFFUVWJRLRTFZ-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c([C@@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 15833677 MKIJLJGJMYLAGA-HXUWFJFHSA-N 445.563 6.021 0 40 IKAB Cc1ccc(Cn2c([C@H](Cc3ccccc3)NC(=O)c3ccccc3)nc3ccccc32)cc1 15910963 LAHYSFGRZFXKRA-MHZLTWQESA-N 445.566 6.107 0 40 IKAB C(=C/c1ccccc1)\CSc1nnc([C@@H]2COc3ccccc3O2)n1-c1ccccc1 16450938 ORKPAJJLRFADEX-SRLUVNLFSA-N 427.529 5.585 0 40 IKAB O=C(c1ccc2ccccc2c1)c1noc(-c2cccs2)c1S(=O)(=O)c1ccccc1 16491578 GMURKBNOLGEDRC-UHFFFAOYSA-N 445.521 5.620 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc(-c2ccccc2)cc1 16493055 BFOZQTYSXDYLSR-UHFFFAOYSA-N 445.327 5.485 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)c1 17095613 DAYGQHYYMLETGK-UHFFFAOYSA-N 427.751 5.017 0 40 IKAB CCc1ccccc1NC(=O)CN(C)C(=O)CSC(c1ccccc1)c1ccccc1 17903548 CHZNJQSZOAFEEB-UHFFFAOYSA-N 432.589 5.169 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19562106 RQZFQWSNKBOLCO-LBPRGKRZSA-N 438.475 5.150 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)O)c2C(=O)NC2CCCC2)C1 19648064 UPUALZKGMPGJQD-OAHLLOKOSA-N 448.629 5.155 0 40 IKAB Cc1nc([C@@]2(O)CCCN(C(=O)CC3CCCCC3)CC2)sc1COc1ccccc1 19705178 HFRPNOWHUAOTDD-RUZDIDTESA-N 442.625 5.201 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1cc(C(=O)O)c(Cl)cc1Cl 20143080 UYVWYAMFNRJAJC-UHFFFAOYSA-N 433.085 5.023 0 40 IKAB COc1cccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1 20274457 DSJOVMDVTCJZDS-HXUWFJFHSA-N 434.883 5.310 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 21705470 KOKXHUBCZSCMMY-JGZYNSJSSA-N 439.405 5.275 0 40 IKAB CCOc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCC(=O)NC(C)(C)C 22074211 OPQSEMHRXASYDQ-DPDSROAVSA-N 442.644 5.073 0 40 IKAB Cc1nc(-c2cccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)c2)cs1 23135672 BRRCECFLGBVCFL-UHFFFAOYSA-N 438.512 5.070 0 40 IKAB C[C@H](NCC(=O)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1cccs1 24751730 ZPMRYJQTAZCQIX-AWEZNQCLSA-N 447.482 5.309 0 40 IKAB COc1ccc(OC[C@@H](O)CN(Cc2ccco2)Cc2ccc(Cl)cc2Cl)cc1 28580887 QKGSUDDSUDWAHB-SFHVURJKSA-N 436.335 5.037 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CN1c1cccc(Cl)c1 31903690 BWIJTPOWDFCUPC-OSICKASQSA-N 427.935 5.924 0 40 IKAB O=C(Nc1ccc(-n2cccn2)cc1C(F)(F)F)c1ccc(F)cc1Br 31967380 RBODOEWPMYRXDY-UHFFFAOYSA-N 428.183 5.045 0 40 IKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)c1ccc2ccccc2c1 32610644 INXKVTAZOFIHPC-UHFFFAOYSA-N 440.330 6.249 0 40 IKAB Cc1ccc([C@@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 32754124 OCLLONJAWHHPGH-BVAGGSTKSA-N 426.560 5.364 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccccc1C(C)C 33658268 KQHOSDXXQVAXTA-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccc(-n2ccnc2)cc1C(F)(F)F 40134812 FPDFVLMFBVBJDP-UHFFFAOYSA-N 437.849 5.651 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 67245311 VTNLENVYKZNMPR-UHFFFAOYSA-N 439.540 6.046 0 40 IKAB CCc1ccc(NC(=O)c2sccc2N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 67245634 VSJSRPWEMXPAOP-UHFFFAOYSA-N 434.970 5.041 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72215018 SDWQCRQDSTWFFT-UHFFFAOYSA-N 449.592 5.501 0 40 IKAB COc1cccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)c1 95116085 WYMHSBZRJRGOPS-QFIPXVFZSA-N 435.321 5.449 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3scnc3C)CC2)on1 100743832 NRHCTQCXDIBMBS-CALCHBBNSA-N 439.585 5.032 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@H](c2ccccc2)N3)cc1 100857581 HAQUBYZYPMXCSI-KHJCJPNESA-N 438.571 6.634 0 40 IKAB CCc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 101036242 YZORGGDPVBBSOO-SGNDLWITSA-N 446.934 5.262 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCCC1)c1ccc(Cl)c(Cl)c1 108228356 ILCVGMITKZODED-UHFFFAOYSA-N 442.799 5.764 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223313329 WSQHBFLJPYDJCL-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223387763 DJXGXLNPEKIOGT-QFIPXVFZSA-N 429.004 5.303 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(C)c1 223395705 IYCXQEMGQNHOQA-UHFFFAOYSA-N 425.981 6.058 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)C(C)C)c(C)c1 223971223 KIXYKZPLEDQJGS-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 224631647 ZGAMKSPOFWHWRX-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 224739070 HPKFHLQWRZMAJL-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224986090 ILTRKBSHFKLBPG-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1C(C)C 225011544 PGSANSZMXBJQBP-UHFFFAOYSA-N 437.974 5.100 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCCC2)cc1 225696628 TYMUSRWLSPECBJ-UHFFFAOYSA-N 446.676 6.138 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1CCS[C@H](c2cc(F)ccc2F)CC1 225742908 NWWAAQNITUDCIE-KRWDZBQOSA-N 436.574 5.373 0 40 IKAB COc1ccc(F)cc1-c1cccc(CC2(C(=O)NCc3cccs3)CCOCC2)c1 257236650 HDCDFTORIFRNPP-UHFFFAOYSA-N 439.552 5.219 0 40 IKAB COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1Cc1c(C)noc1C 257338859 YZEXLARWVPXNEN-ALMLKEHVSA-N 440.584 5.052 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)N[C@@H](C)CCc2ccccc2)cc1 408675630 JXKVSVPUGUCWAL-FQEVSTJZSA-N 440.543 5.325 0 40 IKAB CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(Cl)(c5ccccc54)[C@H]3C2=O)cc1 408919331 WNABOGRRIFDPPN-PGAZUGQPSA-N 443.930 5.223 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCC(=O)Nc3ccccc3)c(Cl)c2)C1=O 409013929 OOPHXTGYSBNZRU-BXUJETTOSA-N 444.940 5.192 0 40 IKAB O=C1S/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1CC1CCCCC1 409126374 FNXAAXUUYGBYIO-VGOFMYFVSA-N 430.751 5.425 0 40 IKAB CN(c1ccccc1C(=O)Nc1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1 409173371 PQLGYRMWBMFJFT-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Brc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2)cc1 409193572 GVRCVZQPCXJDSA-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccc(C)cc1 409347487 QDPQMOROVLZQTM-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)CC3CC3)CC2)C1 643588976 NIQYHTBSCHZGCY-UHFFFAOYSA-N 426.645 5.303 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1 1320604 CLQMRATXEJRTRM-HSZRJFAPSA-N 444.289 5.140 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=S)Nc1ccccc1 1436981 GIOKAVLXKDLOCR-UHFFFAOYSA-N 442.562 5.418 0 40 IKAB Clc1ccc(Oc2nc(Cl)nc(Oc3ccc(Cl)cc3Cl)n2)c(Cl)c1 1657292 ZHSWOGVRMMAMTP-UHFFFAOYSA-N 437.497 6.723 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)Nc2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1 1703556 NAACKRDMOVULBN-UHFFFAOYSA-N 430.570 5.340 0 40 IKAB CCCOC(=O)[C@H](C)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775133 KSBFRANPTVINTI-HNNXBMFYSA-N 430.884 5.576 0 40 IKAB CCOc1ccc2c(c1)N(C(=O)/C=C/c1ccccc1)C(C)(C)c1ssc(=S)c1-2 2262204 NLEYUWXHARLYTM-JLHYYAGUSA-N 439.627 6.900 0 40 IKAB Cc1nc2sc3c(N[C@@H](C)CCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2307006 XZALMDHPLCSHNU-HNNXBMFYSA-N 432.593 5.832 0 40 IKAB Cc1sc(-n2c(C)c3c(C)nnc(C)c3c2C)nc1-c1ccc(Br)cc1 2402205 ZOFIKEOFUGZROG-UHFFFAOYSA-N 427.371 5.849 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)Nc1nc2ccccc2s1 2619191 GZYCUHXOOJIQSO-LJQANCHMSA-N 435.936 5.450 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1c[nH]c2ccccc12 2620485 BCLWMKZIPCYUOB-DEOSSOPVSA-N 445.950 5.041 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2ccccc2F)c1C 2757315 TYABGHLSJFZJSY-UHFFFAOYSA-N 444.459 5.016 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 2757646 RVYLQTOFYCUVNF-RBUKOAKNSA-N 425.594 5.843 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@]2(C)CC2(Cl)Cl)sc(C)c1-c1ccc(C)c(C)c1 2759571 ZNMMEWZPMUQXSX-HXUWFJFHSA-N 440.392 6.039 0 40 IKAB COc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCSc1ccc(C)cc1 2985312 ZUUJXDXGLIEAIY-CJLVFECKSA-N 445.540 5.519 0 40 IKAB CN(c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3202704 KDISIBPFMSZDCA-UHFFFAOYSA-N 429.542 7.222 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)c(OC)c3)nc3ccccc23)c(OC)c1 3226343 AOMNPOODYNCENC-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2ncc(C(F)(F)F)cc2Cl)c2ccc(C)cc2)cc1 3308062 TVSUBGKAJXMXII-FQEVSTJZSA-N 435.898 7.087 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCCSc1nnc(-c2ccccc2)o1 3348179 AHEDXEVVWAIWCS-UHFFFAOYSA-N 429.973 6.026 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 3355747 YUQKXCUZFBOEDX-MRVPVSSYSA-N 447.800 5.623 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc(Cl)c(NC(=O)C23CC4CC(CC(C4)C2)C3)c1 4015736 VBOQWIFOHCYPSX-UHFFFAOYSA-N 443.374 6.401 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2ccccc2)cc1 4848529 FSGMVIFELTUCRW-VWLOTQADSA-N 427.548 5.227 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(C)c3)CC2=O)cc1 6753184 FRHCONGRODCGJI-NRFANRHFSA-N 425.532 5.312 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 8386918 ZMFMSSOCPUKIBM-UHFFFAOYSA-N 427.554 6.526 0 40 IKAB C[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2C[C@@H]2[C@@H]1CC[C@@H]1[C@@H]2CN2C[C@@H](C)CC[C@@H]2[C@@]1(C)O 8438784 YSOKTNCRCPDOCA-OPNRCYEZSA-N 427.673 5.162 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CC[C@@H](C)C2 8445624 YDAXBNUJGDQMFF-SJLPKXTDSA-N 432.589 5.925 0 40 IKAB CC(C)c1ccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)cc1 8453350 KCNXSBPJRGDCKQ-GFCCVEGCSA-N 441.163 5.741 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCC2 8589778 DSOQHJGBNYZTLI-UHFFFAOYSA-N 434.561 5.839 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(NC2CCCCC2)s1 8709004 HGIZDRIWPBALGP-ZDUSSCGKSA-N 447.655 5.204 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CCCC1 8710809 QYNCIYRCRIGGFX-AREMUKBSSA-N 435.531 5.443 0 40 IKAB Nc1c(C(=O)Nc2ccccc2Oc2ccccc2)sc2nc3c(cc12)N1CCC3CC1 8763213 BAQGJGBOPDEEBC-UHFFFAOYSA-N 442.544 5.621 0 40 IKAB COCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 8771622 JKRZUESUSNFKPH-RQZHXJHFSA-N 443.572 5.738 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@@H](C)C3)cc1 8781329 IRZYASLOZNLOJH-OAHLLOKOSA-N 438.980 6.339 0 40 IKAB COc1ccc(-c2nnc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)o2)cc1 8861736 PMRXKUROROHELJ-QHCPKHFHSA-N 441.512 5.943 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)c1 8871379 NRSGXAAQNKAXPS-GOSISDBHSA-N 431.923 5.267 0 40 IKAB CCCOc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 9057627 BTTFXCVYZPNVNL-WNJJXGMVSA-N 434.539 6.871 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2OC)cc1 9250238 WJWAGPCQOTWYSE-UHFFFAOYSA-N 449.576 5.253 0 40 IKAB Cn1c(-c2ccc3ccccc3c2)c([C@@H]2c3ccccc3C(=O)N2CC(N)=O)c2ccccc21 9289233 NARDXFAOHTYKON-NDEPHWFRSA-N 445.522 5.029 0 40 IKAB Clc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292732 XXRXIRGVKWETJT-PZJWPPBQSA-N 438.756 6.599 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1C 9296235 KMRNPUKPLVXKDU-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1ccc(/C=C/c2noc(-c3ccccc3OC(=O)c3ccccc3)n2)cc1OC 9409885 VCIXLPNBFBOFKF-FYWRMAATSA-N 428.444 5.143 0 40 IKAB COCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 9496862 BLIINOXBUCMCIS-UHFFFAOYSA-N 446.642 5.070 0 40 IKAB Cc1ccccc1-c1nnc(S[C@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)o1 9500535 NQTRTAFQSDUNDQ-QWHCGFSZSA-N 436.364 5.710 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(COc3ccc(Cl)cc3)cc2)cc1OC 9515160 LIJBZKQTSSICKV-UHFFFAOYSA-N 425.912 5.208 0 40 IKAB COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@H](C)c3ccccc3)nnc12 9580855 YGEYPMVQTKAWBT-QGZVFWFLSA-N 442.544 5.204 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc([C@@H](C)Oc2ccccc2F)o1 9580863 MQQOTKMBSLWEGF-ZIAGYGMSSA-N 425.485 5.502 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)cc1C 9593659 AGYHLMJENDUSBH-UHFFFAOYSA-N 443.494 5.609 0 40 IKAB COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(C)cc4)c3c2c1 9676031 HHOGAIJUOHEAHJ-UHFFFAOYSA-N 425.488 5.575 0 40 IKAB Cn1c(-c2ccc(Br)cc2)cn2cc(-c3ccc(-c4ccccc4)cc3)nc12 9805790 NFCYQDDRPGYVPG-UHFFFAOYSA-N 428.333 6.436 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 9850272 MJRSATWBHUQEJK-UHFFFAOYSA-N 437.996 5.960 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1ccc(Br)cc1 12285269 XABULCKSLSMZIF-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccn2c1C(=O)c1cccs1 12342064 MPDINMNFCYMOTL-UHFFFAOYSA-N 429.423 5.085 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 12599939 WEIBEQQYRBYFDY-UHFFFAOYSA-N 432.376 5.189 0 40 IKAB Cc1c(NCC(=O)Nc2ccccc2C(C)C)cccc1C(=O)N1CCc2sccc2C1 12767514 SXNOCTSZYXZBFM-UHFFFAOYSA-N 447.604 5.429 0 40 IKAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1OCc1ccccc1Cl 12777295 WWEPIVCDWMKTHW-QHCPKHFHSA-N 435.907 5.096 0 40 IKAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2oc3c(ccc4ccccc43)c2C)c1C 12857781 QPAUSMYITOBCBN-HNNXBMFYSA-N 433.460 5.054 0 40 IKAB CC(=O)N1C[C@H](C(=O)Nc2cc(Cl)ccc2Sc2ccccc2)Oc2ccccc21 13163758 PNCQTWVSLYIXNB-OAQYLSRUSA-N 438.936 5.244 0 40 IKAB Cc1ccc(NC(=O)/C(=C\c2ccc(Br)cc2)NC(=O)c2cccs2)cc1 13306702 GUGQWUFTWKDRKX-QGOAFFKASA-N 441.350 5.229 0 40 IKAB CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 13501103 QVJUBDFICNBBOH-QHCPKHFHSA-N 448.615 5.224 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)c1ccccn1 13502171 ZUZNLJUGLQKYAU-AREMUKBSSA-N 441.575 5.223 0 40 IKAB CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 13764678 NTPVNNGNFGYPRG-QOAWAWRESA-N 426.604 7.212 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)cc1Br 13776747 FVAQXQHMGOSKMN-DYESRHJHSA-N 441.350 5.762 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)n2)cc1 14067714 WWEGRMRVKBMVDP-JOCHJYFZSA-N 435.574 5.275 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2)o1)N1CCN(Cc2nc3ccccc3s2)CC1 14083379 FHRYOEYUFJMSFU-UHFFFAOYSA-N 437.952 5.168 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c(C)c1 14271119 PXOFLKKGNSNQKM-UHFFFAOYSA-N 441.984 5.881 0 40 IKAB Cc1ccc(Nc2nnc(SCCCc3nc(-c4ccncc4)no3)s2)cc1Cl 14903100 GATFJQDYMYUODF-UHFFFAOYSA-N 444.973 5.413 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)cc1 15011042 MDJQYCPXXIVYOL-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(NC(=O)[C@@H](C)SCCCC(=O)Nc2c(C)cccc2C)cc1Cl 15491959 CXPJODPSBJFLNN-MRXNPFEDSA-N 434.989 5.445 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nn(CC(=O)Nc3cccc(C)c3)c2=S)cc1 16769124 ABQFXDRIKNORAT-UHFFFAOYSA-N 444.560 5.238 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)c(C)c1 16769192 ROKVBHIUEFPNOK-UHFFFAOYSA-N 428.561 5.250 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(C)=O)c(C)n3-c2ccc(C)cc2)cc1 16807619 CULJRIWTZHNXNN-UHFFFAOYSA-N 448.544 5.259 0 40 IKAB CC(=O)N(C)C1CCC2(CC1)CN(Cc1cccc(OC(C)C)c1)Cc1ccccc1O2 19450911 QJSMCHPOEARLLU-UHFFFAOYSA-N 436.596 5.028 0 40 IKAB CCOc1cc2c(cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 19532465 HPMDLLFMLUYPQP-ATIYNZHBSA-N 449.639 5.085 0 40 IKAB CCCCn1c(=N)n(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c2ccccc21 19900972 WWLIKMQMTCGMJV-UHFFFAOYSA-N 435.612 5.906 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CSc3ccccc3)cc2)c(Cl)c1 20049884 MQNROVWQNCIBML-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl 20152062 XEGNPQWEJVJEDQ-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)c1 21579591 ZDFMBLPQGACGGG-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2)c2cc(Cl)cc(Cl)c2)cc1 22277015 UBZCWVDDAJVTGV-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 22510958 QAACRAYNSYYYIH-UHFFFAOYSA-N 431.513 5.859 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCC(OCC)OCC)ncnc3[C@@H]2C2=C1CCC2 26464493 PKGPRHGUZIZZME-RXVVDRJESA-N 433.643 5.609 0 40 IKAB CCN(C(=O)COc1cc(C)cc(C)c1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993191 TZFONCIGXGUNMW-MUUNZHRXSA-N 442.559 5.810 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(NC(=O)c2ccccc2Cl)cc1 32910849 KSMGOMRKTRELNI-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 44904461 OKKKFYJKKXWRQT-MRXNPFEDSA-N 426.409 5.736 0 40 IKAB CCOc1ccc(-c2csc3c(=O)[nH]c(N4CCc5ccccc5C4)nc23)cc1OCC 48989253 INSPOQPLHKLLSM-UHFFFAOYSA-N 447.560 5.012 0 40 IKAB CCOc1ccc(-c2noc(-c3nn(-c4ccc(Cl)cc4)c(=O)c4ccccc34)n2)cc1 64949896 WWSSWKLNOZLNKN-UHFFFAOYSA-N 444.878 5.155 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cccc(Cc4cccc(F)c4)n3)C2)cc1 72349364 ROECBBIZWSTVOX-JOCHJYFZSA-N 432.539 5.159 0 40 IKAB CCc1c(NC(=O)[C@@H](c2ccccc2)N2CCCCC2=O)noc1-c1ccc(Cl)s1 89282599 OHZZUPIKNMBEJN-LJQANCHMSA-N 443.956 5.311 0 40 IKAB Cc1cc(C(=O)NCCc2csc(-c3ccccc3Cl)n2)c2cnn(C(C)C)c2n1 95443902 CUTSNWNOFPVSTN-UHFFFAOYSA-N 439.972 5.070 0 40 IKAB CCCN(C(=O)c1cc2c(=O)n3cccc(C)c3nc2s1)c1cc(Cl)cc(Cl)c1 96347318 AJDXEOUDFJZWQU-UHFFFAOYSA-N 446.359 5.581 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)C=C[C@@H]32)C1 118927818 ASDNAJPPNCFFSI-SHXFDWHISA-N 442.728 8.061 0 40 IKAB CC[C@@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)c(C)c1 218907517 YTNGBHQKLGDUFM-HXUWFJFHSA-N 426.354 5.865 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 222886950 CVOPEAXXMBQIBF-UXHICEINSA-N 441.398 5.017 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 223002104 RMHYFASSAOFJQY-SANMLTNESA-N 428.576 5.070 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)NC(C)(C)C)cc1 223393315 ANFUKHOEZRVWKF-QFIPXVFZSA-N 445.003 5.003 0 40 IKAB Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCC3)cn2)c1 223984910 WOWQHSNTORONKW-UHFFFAOYSA-N 434.584 6.071 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2C2CCCCC2)N1c1ccc2c(c1)OCO2 224022187 ANDSZHVFDSUOOD-ZEQRLZLVSA-N 446.576 5.294 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224031521 RLBPFSFPJKEVNY-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224345165 RPXXLDOYJUOMOX-QHCPKHFHSA-N 429.004 5.340 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224345559 GFOISZHEIZZKIL-UHFFFAOYSA-N 432.372 6.224 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc(Cl)c(C)c1 224542653 MUTMDRHSBHSSFJ-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)nc1 224891832 LGZIIRGYTMAENK-BJKOFHAPSA-N 443.551 5.200 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)c2ccccc2)cc1 225132535 IMPGFSHIRZXYHQ-PXLXIMEGSA-N 444.556 5.832 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253497850 QUYCEUJYTAJEMW-MQTNHTELSA-N 448.569 6.463 0 40 IKAB CCOc1cc(COc2c(Cl)cc(CO)cc2OCC)ccc1OCc1ccccc1 408540017 LTQVOURFBOAICT-UHFFFAOYSA-N 442.939 5.788 0 40 IKAB O=C1CS[C@@H](c2cccc(OCc3cccc4ccccc34)c2)N1c1ccc(Cl)cc1 408560249 YAVWQRCXQODHQH-SANMLTNESA-N 445.971 6.851 0 40 IKAB CCn1c(-c2ccccc2)c(C)s/c1=N\C(=O)c1ccc(OC)c(Br)c1 408560565 DJPSIRJCKKVUEW-XDOYNYLZSA-N 431.355 5.057 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(Cl)c2)ccc1NC(=O)c1ccccc1 408612268 YAUXGKVFNKQAAR-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(O)c1cccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)c1 408614146 YWBCNAXTIRSZPT-UHFFFAOYSA-N 436.722 6.536 0 40 IKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1OC 408635436 BEEZMZAKJSDQBH-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3)n2)cc1 408724952 NFUOCKLVDUFGQD-UHFFFAOYSA-N 431.539 7.068 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 408804795 BJXVEQOMWBPDLH-UIFDZKLGSA-N 446.423 7.047 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409107892 XSBOEJBCXQZNEY-UHFFFAOYSA-N 435.380 5.701 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)c(OCc2cccc(Cl)c2)c(Cl)c1 409116332 MGGSBJGKACPPOJ-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409171387 AFBRWVIAXKEBNA-SANMLTNESA-N 434.605 5.124 0 40 IKAB CC(C)CC(=O)N1CCCCCCCCN(C(=O)c2ccc(F)cc2)Cc2ccccc21 643588905 LVCNTPDDTWPZOI-UHFFFAOYSA-N 438.587 6.201 0 40 IKAB C[C@]1(Cc2ccc(Cl)cc2)Cc2cc(CC(=O)NCCC3(O)CCCCC3)ccc2O1 2037875270 NCINFTFTMFRRRE-VWLOTQADSA-N 441.999 5.020 0 40 IKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c(C)c1 756769 GRUPDJIXGYORHV-UHFFFAOYSA-N 447.629 6.663 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(O)cc2)n1Cc1ccccc1 977035 CEVRXKLJCVSDNA-UHFFFAOYSA-N 444.560 5.047 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Br)o2)sc2c1CCCCCC2 994767 JWLGZEFXASTUIP-UHFFFAOYSA-N 426.332 5.192 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(NC(=O)c2ccccc2)c1 997305 SIWKZWFTKUUFTM-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)c(C)cc3[nH]c2=O)c1 1224685 ZRSAZLKNKRBCMJ-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB CC(C)c1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(F)cc4)n12)CCCC3 1376480 RYCFTMDLWVEHBE-UHFFFAOYSA-N 440.569 5.455 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CN1c1cccc(C(F)(F)F)c1 1424693 GWGSPMHEJJYNKD-IBGZPJMESA-N 449.476 5.818 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC(C)(C)SC3 1782024 AAKXOHAJJPXZFQ-UHFFFAOYSA-N 430.664 6.216 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)/C=C/c2cccc3ccccc23)cc1 2136960 JZZHTVSPAAZJQH-XMHGGMMESA-N 442.540 5.317 0 40 IKAB CCCCCCn1c(N)c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc21 2249201 UMKYSSHRDDIZER-UHFFFAOYSA-N 435.959 5.330 0 40 IKAB O=c1c2c3c(sc2nc(SCCOc2ccccc2)n1C1CCCCC1)CCC3 2260889 NGZLCMYENDUGRA-UHFFFAOYSA-N 426.607 5.623 0 40 IKAB CCc1c(C)nc2c(-c3ccccc3)c(C)nn2c1NCCc1ccc(OC)c(OC)c1 2440781 NAWWSWPHUXNIPU-UHFFFAOYSA-N 430.552 5.247 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 2780371 BOPZURZRBZAPOM-HNNXBMFYSA-N 442.466 5.284 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@@H](C)c1nnc(Cc2cccc(Cl)c2)o1 2804583 PDUWGYKHRCKSRP-VIFPVBQESA-N 431.668 5.128 0 40 IKAB CC(C)(C)c1ccc(COc2ccsc2C(=O)Nc2ccc(C(F)(F)F)cc2)cc1 3134841 KIOGEGWFRFVCJQ-UHFFFAOYSA-N 433.495 6.896 0 40 IKAB O=C(COC(=O)c1sc2ccccc2c1Cl)Nc1ncc(C(F)(F)F)cc1Cl 3228600 GSAKRFWPBXCHNB-UHFFFAOYSA-N 449.237 5.417 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)cc1 3255785 AFDGIUHKPYBLQV-UHFFFAOYSA-N 428.410 5.446 0 40 IKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1cccc(Oc2ccccc2)c1 3271891 NGBCEDLWHOQYLR-UHFFFAOYSA-N 437.495 5.870 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SC[C@H]3CC3(Cl)Cl)n2-c2ccccc2)cc1 3412599 LZKZODGLOMQBGY-QGZVFWFLSA-N 432.420 6.518 0 40 IKAB COc1cc2ccccc2cc1C(=O)NC(=S)Nc1c(C)cc(Br)cc1C 4091565 WBCMTEPGCYJMAK-UHFFFAOYSA-N 443.366 5.355 0 40 IKAB CCOc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1cccs1 8254729 SKVASOVXBWTZAQ-FMLGTGLNSA-N 425.638 6.564 0 40 IKAB Nc1c(-c2ccccc2)c(CSc2nc3ccccc3[nH]2)nn1-c1cccc(Cl)c1 8686284 QFBNCPDZJWRRDI-UHFFFAOYSA-N 431.952 5.944 0 40 IKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(OC)cc1 8801976 MYLLHPVLIARBIU-DTQAZKPQSA-N 442.452 5.357 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1Sc1ccc(Cl)cc1 8873083 CRGGORWMHHYEMR-UHFFFAOYSA-N 438.961 5.781 0 40 IKAB CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)Nc2cc(Cl)ccc2O3)s1 8961394 IEVRZQKTLWWQGI-UHFFFAOYSA-N 434.926 5.123 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 9226647 MGAFFLFGHINHSN-OQGGWEOTSA-N 428.642 5.543 0 40 IKAB COc1ccccc1-c1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2Cl)cc1O 9243231 PNVBXVVGIKUBKA-UHFFFAOYSA-N 441.314 6.344 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 9296165 FTKGAOUHNXHNQX-JCMHNJIXSA-N 440.996 5.652 0 40 IKAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)c1 9420124 MJOPLHMYVRKVPU-HSZRJFAPSA-N 442.544 5.307 0 40 IKAB CC1(C)Cc2nc3sc4c(=O)n(Cc5c(Cl)cccc5Cl)cnc4c3cc2CO1 9424219 YWBRHKALFPXNLR-UHFFFAOYSA-N 446.359 5.213 0 40 IKAB Cc1ccc([C@@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@H](C(C)C)C2)cc1 9450799 HWGMGUWZMIRCFG-UGKGYDQZSA-N 434.374 5.243 0 40 IKAB NC(=O)N[C@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 9671776 YYLOTQSOXOVQMQ-NHCUHLMSSA-N 435.549 5.004 0 40 IKAB O=S(=O)(Nc1cccc(-c2ccc(N3CCCCC3)nn2)c1)c1ccc2ccccc2c1 9714607 CPTHBTPYYBTYAH-UHFFFAOYSA-N 444.560 5.088 0 40 IKAB Fc1ccc(C2=NN(c3ccccc3Cl)[C@H](c3ccc(Br)cc3)C2)cc1 9761141 MGDYTDQCMMETGG-NRFANRHFSA-N 429.720 6.597 0 40 IKAB COc1ccc(-c2nnc(SC[C@H](O)c3ccccc3)n2C2CCCCC2)cc1OC 10093986 AVMMLOXFNWOKRA-FQEVSTJZSA-N 439.581 5.293 0 40 IKAB O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)c1cc(Br)cs1 10272153 YHKSVGMBLZAQKX-UHFFFAOYSA-N 448.194 6.117 0 40 IKAB COc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(-c4ccccc4)cc3)nc12 12140969 BIBVWNDBQIFXPX-UHFFFAOYSA-N 445.588 5.570 0 40 IKAB CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2Cc1cccnc1)c1ccccc1 12527489 DTUBDOLXSGFKDS-UHFFFAOYSA-N 433.515 5.208 0 40 IKAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)c2cccc(Cl)c2)nnc1-c1ccncc1 12608203 DWVUZDYHLSXOKI-INIZCTEOSA-N 434.952 5.655 0 40 IKAB CC(=O)N(c1nc(/C=C/C(=O)Nc2cccc3c2CCCC3)cs1)c1ccccc1F 12763151 LLTMCVKPTWDETE-BUHFOSPRSA-N 435.524 5.498 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 12849394 SBXHVRDJGIZGET-ABAIWWIYSA-N 442.850 5.216 0 40 IKAB COc1ccc(NC(=O)c2ccc(COc3cc4ccccc4cc3C(=O)O)cc2)cc1 12985891 DLYIQXYOAIIHIH-UHFFFAOYSA-N 427.456 5.378 0 40 IKAB Cc1cc(C)c(NC(=O)CCCS[C@H](C)C(=O)Nc2ccc(C(C)C)cc2)c(C)c1 13012344 QVQQLHORYFTWEC-HXUWFJFHSA-N 426.626 6.214 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2c(C)nn(Cc3ccccc3)c2C)cc1 13120384 UUNCJPDDMFRUFY-AREMUKBSSA-N 438.531 5.328 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 13131372 NLNIZDZDXBVRFH-VWLOTQADSA-N 436.580 6.387 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccccc3[nH]c2=O)c2ccc(C)c(C)c2)cc1OC 13583664 VVBXDMIJNKZXQD-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)cc1 15412453 GPFXKAXADRFRLE-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(-c2csc(/C=C/c3ccc(OCCC(C)C)c(OC)c3)n2)cc1OC 15910403 BESPFIMHLGWSFP-YRNVUSSQSA-N 439.577 6.431 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(Cl)c2Cl)c1 16637170 JAWIAFOXPBGWBY-UHFFFAOYSA-N 444.771 5.512 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc(-c2cccs2)cs1 17012053 QYMGFTNSLCCPMI-UHFFFAOYSA-N 430.942 5.280 0 40 IKAB O=C(Nc1cc(-c2nc3ncccc3o2)ccc1Cl)c1cccc2c(Cl)cccc12 17098734 DJFXKXWRIPTAPV-UHFFFAOYSA-N 434.282 6.602 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)c1cc(Br)cc(Br)c1OC 19633105 PQHRRLCOVAWMIC-LLVKDONJSA-N 441.163 5.986 0 40 IKAB O=C(c1cn2cc(Cl)ccc2n1)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19690248 PIZQWVZZELGQMG-IBGZPJMESA-N 448.929 5.132 0 40 IKAB Cc1c(C(=O)N2CCC[C@H](c3nc(N(C)C)ncc3-c3ccccc3)C2)oc2ccccc12 19693907 ZQCDKSIFQRALNM-FQEVSTJZSA-N 440.547 5.284 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cc(C)cc(C)c2)cc1 19947543 KZNHYIQOAVUAGK-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C1c2cc3ccccc3nc2N[C@H](c2ccccc2Br)N1c1ccccc1 20512645 YILDLHFXMBNLAO-QFIPXVFZSA-N 430.305 5.768 0 40 IKAB Cc1ccc(/N=c2\oc3c(C)ncc(CO)c3cc2C(=O)Nc2ccccc2Cl)cc1 20617341 WTZFERBIGAODFL-PNHLSOANSA-N 433.895 5.075 0 40 IKAB CC(C)c1ccc(CNC(=O)C2CCN(c3ncnc4c3oc3ccccc34)CC2)cc1 21363570 YKQACKIQCXWJCL-UHFFFAOYSA-N 428.536 5.032 0 40 IKAB COCc1c(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)sc2cccc(F)c12 21601029 GKOOKGQVAWLIHE-IBGZPJMESA-N 443.931 5.093 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC 21789264 RKOJCXHLHAYDEM-JOCHJYFZSA-N 428.532 5.446 0 40 IKAB COc1cc(C2SCCS2)ccc1OC(=O)c1ccc(Cl)c(N2CCCC2=O)c1 26770516 IHNJKFGULJYSRI-UHFFFAOYSA-N 449.981 5.173 0 40 IKAB O=C(Cn1ccc2cc(Br)ccc21)Nc1ccccc1C(=O)c1ccccc1 32124635 XKKOCKKDBNGIFI-UHFFFAOYSA-N 433.305 5.274 0 40 IKAB COc1ccc(/C=C2\c3ccccc3Cn3c2nc(=O)c2c4c(sc23)CCCC4)cc1 32669831 OMQRGRSCFAXEII-KGENOOAVSA-N 426.541 5.296 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 33265115 BANWCKIBDFVYJD-UHFFFAOYSA-N 442.544 5.164 0 40 IKAB COC(=O)CN[C@@H](c1ccccc1)c1cc(Cl)ccc1NC(=O)c1ccc(Cl)cc1 34694956 ZTRBXDQAJTZOCQ-QFIPXVFZSA-N 443.330 5.098 0 40 IKAB Cc1ccc(NC(=O)[C@H](Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c2ccccc2)cc1Cl 40005497 YIMIVYFDINGWSJ-IVZQSRNASA-N 435.911 5.160 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 44856519 RVZGHQNNFZYGHR-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H]2CCCN(Cc3ccccc3)C2)c1 48343448 JMSBPJXVSNBOCI-OAQYLSRUSA-N 428.536 5.181 0 40 IKAB O=C(OCc1csc(-c2ccccn2)n1)C1(c2ccc(Br)cc2)CCC1 61388420 UMGVMJGGFPTAKH-UHFFFAOYSA-N 429.339 5.133 0 40 IKAB COc1ccccc1-n1c(SCc2c(F)cccc2Cl)nc2ccccc2c1=O 67259553 QVERLDVJBYTRLX-UHFFFAOYSA-N 426.900 5.479 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccc(C(F)(F)F)cc2)nc1 67294375 QRPYMCVBEGQLBY-SLMZUGIISA-N 439.393 5.345 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OC(C)(C)C)cn1)C1CCCCC1 72215679 WTISKGQPFOPZLX-HXUWFJFHSA-N 445.604 6.228 0 40 IKAB CC(C)n1cc(CN2CC[C@@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc21 72352557 YWGGLNMCNKHRFT-GOSISDBHSA-N 446.620 5.523 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H]1C(c3ccccc3Cl)=NO[C@@H]1C)oc1ccccc12 100281908 ISEJCPCYDHLLGM-MCMMXHMISA-N 434.879 5.626 0 40 IKAB C[C@@H]1[C@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc(Br)cc12 100889558 ZRKKBXCNIUILTL-AWBWRCJSSA-N 441.753 5.422 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1c(Cl)cccc1Cl 101071418 GWFDKPXTLMKEHJ-ZVDOUQERSA-N 439.298 5.045 0 40 IKAB C[C@@H](NC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)c1ccc(Cl)cc1Cl 102319460 TVABJZCWUVHROA-SJTCNUARSA-N 445.228 6.295 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4cccc(Cl)c4)Oc4ccc(Br)cc4[C@H]3C2)o1 102725161 VQTOZUFFNGWSIU-NQIIRXRSSA-N 443.728 6.246 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102743259 BPCKCISMEYBLFD-WXFUMESZSA-N 426.516 5.035 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223028551 VEZBEHLPTHJGQU-WOJBJXKFSA-N 448.375 5.267 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ccccc3C)C(C)C)cc2)cc1 223972229 LPEIRUXGZWIPMI-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)c1 224290025 AUFQBFIHBYWUKP-DNQXCXABSA-N 425.561 5.061 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1Cl 224304085 AVAPTUQNXRSWTM-UHFFFAOYSA-N 447.918 6.342 0 40 IKAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)cc1 224346124 SCSBUQRKKAAMPO-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccccc1C(C)(C)C 224509738 RPOKJSIJGAZBAJ-UHFFFAOYSA-N 437.967 6.868 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 224667492 DKTDCHHLAUZXMI-JOCHJYFZSA-N 447.044 5.153 0 40 IKAB COc1cc(Oc2ccccc2)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225917185 DRBOXIMASRARAQ-UHFFFAOYSA-N 432.505 5.024 0 40 IKAB 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(C)CCc2ccccc2)C1 253612469 QXDFHJAYYMOLSW-RXFRRLCGSA-N 436.680 7.600 0 40 IKAB CN(CCC(=O)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1)c1ccccc1F 257320242 VVXALLFNWWHRMO-VWLOTQADSA-N 435.518 5.141 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@@H]21 257336004 YMSQZDKVVMTSBL-NHIGCFTJSA-N 441.612 6.287 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 408554280 RIBHVOBPGNNTMM-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCCc1nc(S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)O)n[nH]1 408631674 LEKSUNCTJQQHQX-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(C)c(Cl)c4)C3)cc2)cc1C 408642481 MXXFFNNVLXAXPM-LJQANCHMSA-N 448.950 6.049 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408647255 UVKRNJRMFHCZDP-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408699827 WKTBHXFBZPCQPC-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 408979783 SFVOVBHUSMJMSQ-UHFFFAOYSA-N 427.554 6.648 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1Cl 409098033 JWOAGLMYLQCNFP-UHFFFAOYSA-N 449.407 5.563 0 40 IKAB CCN1C(=O)S/C(=C\c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C1=O 409143042 YRYHJHGQEKAGMJ-MOSHPQCFSA-N 426.925 5.430 0 40 IKAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)CCc1ccccc1)CCOCCO2 643574335 PYTAOMVEXMMTTQ-UHFFFAOYSA-N 443.587 5.210 0 40 IKAB CC(=O)N1CCCCCCCN(CC(C)C)Cc2cc(-c3cccc(C(=O)O)c3)ccc21 643589314 UQXHIUXDIMGHJF-UHFFFAOYSA-N 436.596 5.827 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2cc(Cl)cc(Cl)c2)Cc2ccccc21 643589501 VMFIJNJDPPFTIZ-UHFFFAOYSA-N 447.406 6.343 0 40 IKAB O=C(CCC1CCCC1)N1CCC(COc2ccccc2)(CC(=O)N2CCCCC2)CC1 2037905470 MHHSNVYFXBQUJT-UHFFFAOYSA-N 440.628 5.047 0 40 IKAB Cc1nc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)ccc1Br 679557 XQWIEWQNJIRPPM-UHFFFAOYSA-N 434.746 5.086 0 40 IKAB O=C(COC(=O)[C@@H]1CC(=O)N(c2ccc3ccccc3c2)C1)c1ccc(-c2ccccc2)cc1 858938 MIIDLBDLDYNGEH-RUZDIDTESA-N 449.506 5.286 0 40 IKAB Cc1cc2nnc(SCCC(=O)Nc3ccc(-c4ccccc4)cc3)n2c2ccccc12 944325 QDMGYVKQLQJRKV-UHFFFAOYSA-N 438.556 5.979 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1cccs1 1333748 MOEIHNLVGVOGII-QHCPKHFHSA-N 438.618 5.494 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 1359680 AUJFSTUDHNETES-JOCHJYFZSA-N 427.479 5.563 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 1371400 AIUDZSKVNPIFPN-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB Oc1ccccc1-c1nc(Oc2ccc(I)cc2)c2ccccc2n1 1881340 REVDYBVTWGGZMQ-UHFFFAOYSA-N 440.240 5.399 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1cccc(Br)c1 2029540 WNHDCMIOGPVCDZ-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 2069807 SNULEYLCSPXQKO-GOSISDBHSA-N 429.004 6.057 0 40 IKAB CC(C)(C)c1cc(C2=NO[C@@H](c3ccccc3)N2c2ccccc2)cc(C(C)(C)C)c1O 2294888 ZDICBPCJPFAEAQ-SANMLTNESA-N 428.576 6.884 0 40 IKAB CCn1c(SCC(=O)c2ccc(Cl)cc2)nc2scc(-c3ccccc3)c2c1=O 2679480 SZJPKDXVFYNEIA-UHFFFAOYSA-N 440.977 5.773 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1C 2690094 GBSSMJYPGOCKAF-UHFFFAOYSA-N 439.490 5.779 0 40 IKAB Cc1cc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)nn1Cc1ccc(Cl)cc1 2765883 NWXOQBAQXMLXDK-DEOSSOPVSA-N 447.991 6.365 0 40 IKAB COC(=O)c1c(C(C)(C)C)oc2c1cc(NS(=O)(=O)c1cccs1)c1ccccc12 3277204 LIGOBTQTOMIAPZ-UHFFFAOYSA-N 443.546 5.532 0 40 IKAB CC(C)Cn1c(SCc2ccc(C(C)C)cc2)nnc1-c1ccc(Cl)cc1Cl 3358372 HBSPUUVEBVLMRW-UHFFFAOYSA-N 434.436 7.324 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(Cl)c(C)c3)cc12 3368388 CCVBJKBAICCTBD-UHFFFAOYSA-N 449.956 5.851 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(OCc4c(C)noc4C)cc3)sc2C)cc1 3398844 CJSXHMUTPFAIOO-UHFFFAOYSA-N 449.532 5.563 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@H]2c2cccs2)cc1 3438049 GJIQCFJDGSIYMZ-OFNKIYASSA-N 438.980 5.511 0 40 IKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1cccc3cccnc13)c1ccccc12 3656728 HDGVHHJUSPYYIA-UHFFFAOYSA-N 430.485 5.446 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4ccccc4Br)c3C)nc2c1 3770789 MBBGNBYUMNDDAU-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Br)cc2)cc1 4065871 ZMFWBCOBZOIKHI-OVCLIPMQSA-N 433.305 5.327 0 40 IKAB O=C(NCc1ccccc1)c1nn2c(C(F)(F)F)cc(-c3ccc(F)cc3)nc2c1Cl 4181738 XADNITGJSRDKTP-UHFFFAOYSA-N 448.807 5.138 0 40 IKAB CCCCCN(CCCCC)CCCNc1c2c(nc3ccc(OC)cc13)CCCC2 4353006 PNXGMEQMNMCGQN-UHFFFAOYSA-N 425.661 6.607 0 40 IKAB CC(C)(C)NC(=O)[C@H]1[C@@H]2C[C@@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C 4360904 CRSMIGCCDJDVOE-MWMGYGRKSA-N 426.560 5.497 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)C(Cl)(Cl)Cl 8831817 IWZWNAPJRHUUAK-UHFFFAOYSA-N 440.566 6.579 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2Cl)CC1 9123792 XSQUZSSQZMNPMH-UHFFFAOYSA-N 449.982 5.313 0 40 IKAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccccc1Cl 9199915 RIJDKEXXWYLSFG-UHFFFAOYSA-N 435.936 5.634 0 40 IKAB Cc1ccc(S(=O)(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccc(Cl)cc2)cc1 9404348 OLFZBHDQIRKBJE-QFIPXVFZSA-N 445.371 5.842 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3cccc(Br)c3)cc(C(F)(F)F)c12 9933401 YGMDRRDUACARBV-UHFFFAOYSA-N 432.243 6.177 0 40 IKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3)cc2)sc2nc(-c3ccccc3)cn12 10069135 ZZEGQWLBOIGTOQ-UHFFFAOYSA-N 425.513 6.416 0 40 IKAB COc1cc(OC)c(C2=CCN(C(=O)c3cc4cc(Cl)ccc4o3)CC2)c(OC)c1 11918887 AQWCKPRWNBAJSL-UHFFFAOYSA-N 427.884 5.042 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CSc4ccc5c(c4)OCCO5)[nH]c(=O)c23)cc1 12588078 MMUDMYVZSFVSLG-UHFFFAOYSA-N 436.558 5.332 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)Nc3ccc(Br)cc3F)c2)cs1 12754890 FQCWYUTWBYCDGF-VMPITWQZSA-N 447.329 5.584 0 40 IKAB CCc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)cc1 12821403 GETMBXMOCWAALY-MHZLTWQESA-N 434.543 5.799 0 40 IKAB COc1cc(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c(OC)cc1Cl 12941902 UZHDXEBMHZMJMN-HSZRJFAPSA-N 442.968 5.005 0 40 IKAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CNC2CCCCC2)cc1 13146602 AZLIJBXIYNQDQZ-HHHXNRCGSA-N 441.575 5.448 0 40 IKAB O=C1N[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2)S1 13149287 YHRWKLBQDMVIOB-UINZKQLZSA-N 425.513 5.381 0 40 IKAB O=C(Nc1ccccc1)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 13577110 LYFJTNDIUWCUNA-SALAOISXSA-N 444.534 5.787 0 40 IKAB O[C@@H](CN1CCCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 13765826 FVTKUMLHMGZMOF-CUBQBAPOSA-N 449.683 5.619 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Cl)cc2)cc1 13776418 QOFWQDFDZQDCHR-HSZRJFAPSA-N 445.902 5.243 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)cc(Cl)c4OC)cc3n2)cc1 14272654 BZEYCNGDQZURRQ-UHFFFAOYSA-N 441.318 5.551 0 40 IKAB Cc1c(-c2nnc3n2CCCCC3)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 14358524 KDAROKQYVRIICO-UHFFFAOYSA-N 434.512 6.337 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccccc4C)cc3n2)cc1 17095982 WLNOXEWFESPPFR-UHFFFAOYSA-N 428.536 5.397 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)c(C)c1 17096848 BENKWWJTMFREPL-UHFFFAOYSA-N 430.460 5.263 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccccc1Br 17170899 HJIULWUZMNDKDE-UHFFFAOYSA-N 441.350 5.356 0 40 IKAB CC[C@@H](C)c1ccc(S(=O)(=O)N2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 19633465 ZVXFSTRDCNVEAH-MRXNPFEDSA-N 441.424 5.013 0 40 IKAB COc1ccc(CC(=O)N2CCC(c3cc(-c4ccc(F)cc4)cc(C)n3)CC2)cc1OC 19691167 QSLUTIHLVYJZQH-UHFFFAOYSA-N 448.538 5.162 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(-c2cc3ccccc3oc2=O)c1 20143673 CDPZGROIUWWLHF-UHFFFAOYSA-N 449.846 5.073 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1 20495082 LWIZRNSBIHRSGK-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccc(-c2ccc(Cl)cc2Cl)o1 22111455 CRSHWLOKUINSSI-UHFFFAOYSA-N 447.347 5.927 0 40 IKAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709449 NCQIMNREUQEVJF-DEOSSOPVSA-N 446.890 5.290 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)NC[C@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1C 28290368 CTIKNICYOVLSOE-HSZRJFAPSA-N 446.591 5.274 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(-c2ccccc2)cc1 32126517 PRAJPLSAQIJSDO-UHFFFAOYSA-N 440.502 7.567 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCC 33382328 SZDDUJUGBSEOMW-UHFFFAOYSA-N 447.156 6.196 0 40 IKAB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1cc(Br)ccc1N1CCCC[C@@H]12 33428986 FIGLBODDVBPGOD-FYYLOGMGSA-N 438.369 5.082 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3)c(Cl)nc2c1 35291486 JONYSCYPLYVJLP-UHFFFAOYSA-N 430.939 6.134 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@@H]3C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 35684718 NHMXYICNQXGXKW-QGZVFWFLSA-N 431.279 5.037 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2Cc1ccccc1 36613552 VKFXUWUBICSAQC-UHFFFAOYSA-N 426.520 5.235 0 40 IKAB CC(C)Sc1ccc(CC(=O)Nc2ccc(CC(=O)NCc3cccs3)cc2)cc1 38678484 ZEHWBKICTQUHDR-UHFFFAOYSA-N 438.618 5.289 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1 40040623 OYSVRMSJDGECBY-UHFFFAOYSA-N 447.579 5.887 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)[C@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c(C)c1 58010897 HZWDHDKOFJCOBK-PMACEKPBSA-N 447.604 5.368 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1Nc1ccccc1Br)N1CCCC1 64472009 TVEXLJYDLUMEHX-UHFFFAOYSA-N 430.733 5.630 0 40 IKAB Cc1cccc(N(C)C(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 67217035 DMZWAOWSAFMSEF-UHFFFAOYSA-N 449.601 5.128 0 40 IKAB O=C(Nc1nccs1)c1cc2ccccc2o/c1=N\c1cccc(OC(F)(F)F)c1 67296122 VDCWYVNVBQOKHT-BWAHOGKJSA-N 431.395 5.273 0 40 IKAB C[C@@H](CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C(=O)C=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)CC(=O)O 83263742 XECNEFSRQDLYQD-ZEGPQGMWSA-N 444.656 6.023 0 40 IKAB CCc1ccc(-n2cc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 96324359 LJRNNEMKSCBXSX-UHFFFAOYSA-N 427.891 5.924 0 40 IKAB Cc1ccc(NC(=O)[C@@H]2[C@H]3NC(=S)N(C4CCCCC4)[C@@]2(C)Oc2ccccc23)c(C)c1 102431503 UXDSUJMGDOAZPA-FXSPECFOSA-N 449.620 5.231 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)cc1OC 102675470 RTPGHDKDIVDCGI-RUZDIDTESA-N 448.563 6.152 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@@H]3ON2c2ccccc2)c(C)c1 102768362 SEPGHCCRPAHPBO-XPWALMASSA-N 432.907 5.008 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2)c1ccc(Cl)cc1 104305968 RURHXMLAZNBMNV-VKAVYKQESA-N 443.886 6.008 0 40 IKAB CCCCOc1ccc([C@H]2N[C@@H](c3ccc(OCCCC)cc3)[C@H]3CCC[C@H]2C3=O)cc1 105427067 OEXYIPSQUUMSJA-CWTOASCOSA-N 435.608 6.415 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)c(C)c1 218885813 ZGIOVERHJGSVET-FQEVSTJZSA-N 432.402 6.010 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 222648200 NHRWOYZUSOUURW-VOQZNFBZSA-N 437.653 6.362 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Br)cc2F)o1 222805408 YOJIDVNCYXJUFR-RTBURBONSA-N 446.345 5.236 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@H](Cc1ccccc1)C(=O)NCc1ccc(C)cc1 223054180 YILXEJNSONKPIK-AREMUKBSSA-N 428.576 5.051 0 40 IKAB C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc2c(c1)CCC2 223205863 REXMLKQMXREYAI-HNNXBMFYSA-N 430.386 5.492 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 223236053 CHMIOLGFEVAYLE-LJQANCHMSA-N 445.003 5.176 0 40 IKAB CC(C)CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223360505 HZDRTJPGBLUBCL-SANMLTNESA-N 448.994 5.425 0 40 IKAB CCc1cccc(CC)c1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 223377522 VMYFDSDECODFOU-UHFFFAOYSA-N 448.588 5.124 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 223790655 ZUAZPQQKHRVKOA-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(CC)cc1 223816463 VVHXGSKYIWDVIS-XMMPIXPASA-N 426.576 5.044 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cccc(Cl)c1 224146005 BUEQCVWIHHXXTN-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1C 224410013 OOKMGEFIFFQYRR-DQEYMECFSA-N 442.563 5.805 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccs3)cc2)cc1 224692360 HHAKQQNEPMGONP-RPWUZVMVSA-N 443.597 6.421 0 40 IKAB CC(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1 224875252 PZHFMSRRYFIZDT-VWLOTQADSA-N 448.994 5.047 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)c(OC)c1 224937620 GRJPHEGUEHHLAF-UHFFFAOYSA-N 442.515 6.203 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 225547655 FWOJZRKCVOWRCR-XUZZJYLKSA-N 440.653 5.340 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225588405 ZLTJNWULSNEGNI-GCJKJVERSA-N 447.044 5.544 0 40 IKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3ccc(OC4CCCC4)cc3)CCCC2)c1 225868998 YGJTVVSWGXBKMK-UHFFFAOYSA-N 448.554 6.783 0 40 IKAB COc1ccc(Cc2ccc([C@H]3CCCN3C(=O)CCN(C)c3cccc(F)c3)nc2)cc1 257262820 LNBHESJTKMYFBI-AREMUKBSSA-N 447.554 5.010 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C 260945429 VAHQGKNMOUPOEW-FPOVZHCZSA-N 426.576 5.356 0 40 IKAB OCc1cc(Br)cc(Br)c1OCc1ccc(Cl)cc1Cl 312592192 DSRKXZOEBBZJTN-UHFFFAOYSA-N 440.946 5.590 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(F)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 408599780 KPNYDZYFVXYHGJ-CQSZACIVSA-N 449.613 5.946 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 408604179 UDOBYEJAXSRKQJ-LDADJPATSA-N 432.339 5.474 0 40 IKAB O=C(CN1c2ccc(Cl)cc2-c2ccccc2S1(=O)=O)Nc1ccc2ccccc2c1 408628119 UMIMMLHKZOQYLN-UHFFFAOYSA-N 448.931 5.308 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408672998 WBLIGTINIGMQDR-GOSISDBHSA-N 440.326 5.543 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)c(C)c1 408694315 IVCKRMRNGSREKA-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)c1 408697382 GVUPEGRHVNDLCC-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Br)cc2)N1c1ccc(Cl)cc1 408845219 VHVCLXBMDMUTBT-CPNJWEJPSA-N 438.712 5.332 0 40 IKAB O=C1OC(c2sc3cc(Cl)cc(Cl)c3c2Cl)=N/C1=C\c1ccc(F)cc1 408973092 YPQLOQGCXTUONE-XGICHPGQSA-N 426.683 6.345 0 40 IKAB Cc1ccc(N(C)C(=O)Nc2ccc3nc(-c4ccc[nH]4)c(-c4ccc[nH]4)nc3c2)cc1C 408980798 XTELYLZSCNVCIA-UHFFFAOYSA-N 436.519 5.905 0 40 IKAB Cc1ccc(C(=O)N2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)cc1 409019221 QAJHNFLTUWIWJC-UHFFFAOYSA-N 426.560 5.076 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccc(F)cc2)C1=O 409052613 LDDXPXIKXVKNKV-SXGWCWSVSA-N 442.295 5.256 0 40 IKAB Clc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)cc1 409177184 CZUDLEWEDYGLEJ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1Cc1ccccc1 409246548 CQXAZXIOWSXNHE-BUVRLJJBSA-N 442.515 6.065 0 40 IKAB C[C@H](NCc1cc(-c2ccccc2)n[nH]1)c1cccc(NC(=O)Cc2ccccc2F)c1 531754655 CMXBBGIWPIESNY-SFHVURJKSA-N 428.511 5.248 0 40 IKAB CCN1CCCCN(C(=O)CCC2CCC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582617 AUZCRMFTBCDOPI-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB CC(C)n1c([C@H]2CCCN2C(=O)C[C@H](c2ccsc2)n2cccc2)nc2ccccc21 1614476539 GQAKJZTVKXZKKR-DHIUTWEWSA-N 432.593 5.823 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CC[C@@]2(C1)CN(c1ccc(Cl)cc1)C(=O)O2 1848355833 YJJOEOZUIDBUOM-AREMUKBSSA-N 446.934 5.100 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@@H](C(=O)NC2CCCCC2)c2cccs2)cc1C 800056 IXCGAGJWRZHKGJ-LJQANCHMSA-N 438.515 5.450 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(N(Cc2ccccc2)C(=O)c2cc[nH]n2)CCCCC1 970308 JLIFEIZPTULMCA-UHFFFAOYSA-N 430.552 5.011 0 40 IKAB COc1ccc(N(C(=O)c2ccc(C(C)(C)C)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 1467589 HFXDZKCCMFCYRT-UHFFFAOYSA-N 437.561 5.337 0 40 IKAB CCOC(=O)Nc1c(Cl)cc2c(c1Cl)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl 1574384 WEBGQICBLCLXTG-UHFFFAOYSA-N 448.133 6.398 0 40 IKAB C=Cc1ccc(COc2cc3occ(-c4ccc5c(c4)OCCO5)c(=O)c3cc2CC)cc1 1825585 RGEFRPIYTNMSAZ-UHFFFAOYSA-N 440.495 6.016 0 40 IKAB biogenic CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 2221106 LTXNLIURBNXLFR-MRXNPFEDSA-N 445.544 5.799 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1C 2397586 SGFMQMRFEKJUKV-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB CCN(CC)CCCNc1oc(-c2ccc(OCc3ccccc3Cl)cc2)nc1C#N 2439204 WITOBOJCORZXFF-UHFFFAOYSA-N 438.959 5.589 0 40 IKAB Cc1cc(C)cc(NC(=O)COC(=O)c2oc3ccccc3c2COc2ccccc2)c1 2646612 QMUUGILXNBOGEO-UHFFFAOYSA-N 429.472 5.424 0 40 IKAB O=C(NCc1ccccc1)/C(=C/c1cccc(Oc2ccccc2)c1)NC(=O)c1ccccc1 2707367 CEIHDIRGSRKJAO-OOAXWGSJSA-N 448.522 5.566 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c3ccccc3n2)cc1C 2751750 XDZFROYPFACXOR-UHFFFAOYSA-N 443.550 7.515 0 40 IKAB COc1ccccc1-c1nc(-c2ccc(NC(=O)c3ccc(Br)o3)cc2)no1 2930826 QCENWCBCVXLVIZ-UHFFFAOYSA-N 440.253 5.020 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Sc2ncc(C(F)(F)F)cc2Cl)cc1 3128162 UAXHCBLZRXSMSM-UHFFFAOYSA-N 438.858 6.166 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cccc3ccccc23)c1 3327830 RZBNBYKQVVMESC-UHFFFAOYSA-N 434.417 6.363 0 40 IKAB COc1cccc2c1OC1(CCN(C(C)C)CC1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 5091950 WOSIRNLEJAAQTM-NRFANRHFSA-N 425.960 5.093 0 40 IKAB CC(C)(C)c1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O 6323292 GBVPFKSNRMUTAN-CPNJWEJPSA-N 426.944 5.738 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)c1cccc(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)n1 8453794 VKPWWTWMAVNDQQ-RZIWAKEYSA-N 443.628 6.317 0 40 IKAB Oc1ccccc1/C=C/C1=NN(c2nc(-c3ccccc3)cs2)[C@@](O)(C(F)(F)F)C1 8754029 BNTCKSHXNXHZPT-CFGKVWFZSA-N 431.439 5.046 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccc(Cl)cc1 8755982 DTDVUQMOJYGVJX-IBGZPJMESA-N 445.950 5.679 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1F 8770530 NSCNRUHMLAWIIP-XNMGPUDCSA-N 441.587 5.736 0 40 IKAB CC(C)CCn1c([C@H]2CC(=O)N(c3ccc(Br)cc3)C2)nc2ccccc21 8828282 OXDSZFHRLCIKSM-INIZCTEOSA-N 426.358 5.365 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)c1 8869432 YHYPRHUGLRIGLY-HSZRJFAPSA-N 429.472 5.229 0 40 IKAB O=C(c1ccccc1)N1[C@@H](c2ccccc2)c2ccc3cccnc3c2O[C@@H]1c1ccccc1 8926429 MQVOWBJKXKHVER-BHBYDHKZSA-N 442.518 6.558 0 40 IKAB CC[C@@H](c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C 9056358 OYNSRXLWKZWCDD-MBSDFSHPSA-N 448.636 5.191 0 40 IKAB CCn1c(SCc2csc(N(C(C)=O)c3ccc(C)c(C)c3)n2)nc2ccccc21 9202411 UOVDGKAHVOAUKP-UHFFFAOYSA-N 436.606 6.106 0 40 IKAB CCC(=O)N(CC[C@]1(Cc2ccccc2Cl)CCOC(C)(C)C1)Cc1ccccc1F 9307430 DIPNBGIIEFXQJK-AREMUKBSSA-N 446.006 6.426 0 40 IKAB Cc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3Cl)sc3ccccc3c2=O)c1 9327983 LBZPCRGOHNZQFF-UHFFFAOYSA-N 440.351 6.796 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 9403075 SLRBCUKFHXQMSA-LJQANCHMSA-N 431.458 5.270 0 40 IKAB CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 9435343 HYOJTPLWOVFZPH-SFTDATJTSA-N 442.485 5.378 0 40 IKAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 9459457 KKLHEYRTIBRJLH-BTYSJIOQSA-N 428.900 6.157 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c12 9461448 BNYBYGXONZNGED-UHFFFAOYSA-N 445.544 6.665 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nc(-c2cccs2)n[nH]1)c1ccccc1 9463550 ALABENNLLRLCAZ-IBGZPJMESA-N 436.562 5.404 0 40 IKAB Fc1ccc(-c2csc3ncnc(Sc4nnc(NC[C@@H]5CCCO5)s4)c23)cc1 9619878 PYXCISUXSUOOGW-ZDUSSCGKSA-N 445.570 5.091 0 40 IKAB CCn1c(SCc2csc(N(C(C)=O)c3cccc(C)c3)n2)nnc1-c1ccco1 9646873 ZNDPDILUXZMIDH-UHFFFAOYSA-N 439.566 5.300 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)/C=C/c3cccs3)nc12 9708982 JODJFUSHXZGPLM-RMKNXTFCSA-N 441.965 5.661 0 40 IKAB CC(C)Oc1ccccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 9994642 YJYWBEPKJQVSMR-UHFFFAOYSA-N 448.950 5.973 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Oc2cc(C)nn2-c2ccc(Cl)cc2Cl)c(C)c1 11691499 OFKRZLQDGHFTPU-UHFFFAOYSA-N 425.337 5.180 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 12197069 IELBFTGGLDGNHY-ILBGXUMGSA-N 432.545 5.668 0 40 IKAB O=C(CCCn1nc(-c2ccc(F)cc2)ccc1=O)Nc1ccccc1-c1ccccc1 12440976 XPKOKYHTQZREMI-UHFFFAOYSA-N 427.479 5.135 0 40 IKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CCc2ccccc2OC)c1 12631090 GHTGUEXBJVFPQK-UHFFFAOYSA-N 445.437 6.086 0 40 IKAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 12738704 BPFAZPBQHQXHGR-HXUWFJFHSA-N 440.543 6.136 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccc(Br)cc3Cl)cc(C3CC3)nc21 12786242 RSBIVLULVCPGJJ-UHFFFAOYSA-N 433.737 5.558 0 40 IKAB CC(=O)Nc1cccc(C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 12804058 FITPDAYDWGEVGK-QFIPXVFZSA-N 436.895 5.144 0 40 IKAB CCCCOc1ccc(NC(=O)CSCC(=O)c2ccc(-c3ccccc3)cc2)cc1 12858962 FBAXVQJYNZATJE-UHFFFAOYSA-N 433.573 6.087 0 40 IKAB O=C(Nc1ccc(NC(=O)c2csc3c2CCCC3)cc1)c1csc2c1CCCC2 13387921 LSYMZEHYCZYOHD-UHFFFAOYSA-N 436.602 6.072 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccco3)sc2NC(=O)c2ccc(Cl)cc2)cc1 13569518 KVLZJRCNYLXZOG-UHFFFAOYSA-N 437.908 5.870 0 40 IKAB Clc1ccc(-c2nc(-c3c(Cl)cccc3Cl)[nH]c2-c2ccc(Cl)cc2)cc1 13646330 WTXMBZQMHZRFFB-UHFFFAOYSA-N 434.153 8.024 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@H]2C)ccc1Cl 13676278 ZBGYWILSFUKBMU-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1ccc(CSc2ccccc2)cc1 13678809 DFVICTVKJRTQEB-UHFFFAOYSA-N 438.401 6.228 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1c(F)cccc1Cl 13717011 SVGWMQOPPQMWAG-UHFFFAOYSA-N 427.972 6.051 0 40 IKAB CC1(C)C[C@@H](NC(=O)c2cccc(Cl)c2)C[C@](C)(CNC(=O)c2cccc(Cl)c2)C1 13969894 NZKUSTGCPFZVKU-YKSBVNFPSA-N 447.406 5.738 0 40 IKAB O=C(OCC(=O)N1CCCCCC1)c1ccccc1Nc1ccc(SC(F)F)cc1 14360669 VPNHKTAQBNENNI-UHFFFAOYSA-N 434.508 5.304 0 40 IKAB C/C(=C\c1ccccc1)[C@H]1C(=O)N(c2cccc(C)c2C)CC(=O)N1c1ccccc1F 15412855 XFGMPIODKJCJNQ-DXCHCPKQSA-N 428.507 5.294 0 40 IKAB COc1ccccc1-c1csc(NC(=O)c2cc3c(C)nn(-c4ccccc4)c3s2)n1 15906062 ODPPXJQSSLNCMP-UHFFFAOYSA-N 446.557 5.780 0 40 IKAB c1csc(-c2csc(Cc3ccc(Cc4nc(-c5cccs5)cs4)o3)n2)c1 16778613 VTFFJGDYTBWILT-UHFFFAOYSA-N 426.613 6.831 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NC3CCCCC3)c2c1 16977479 LOVPELOKAYYJTQ-UHFFFAOYSA-N 425.598 5.330 0 40 IKAB Cc1nn([C@@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 18182199 ODXMXNAZUSNTCA-DYESRHJHSA-N 429.586 5.533 0 40 IKAB Cc1ccc(-n2c(SCc3cc(-c4ccccc4)on3)nc3ccccc3c2=O)nc1 19185146 JCBHRLPCILTZLH-UHFFFAOYSA-N 426.501 5.036 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)n1 19239829 ABPUMKOBRYULRW-NRFANRHFSA-N 441.362 5.368 0 40 IKAB CC[C@H](CC(=O)N1CCC2(CC1)CC(=O)c1cc(C)ccc1O2)c1c[nH]c2ccccc12 19500048 UDJFACDBJNDVSU-LJQANCHMSA-N 430.548 5.387 0 40 IKAB Cc1c(C(=O)N2CCC(c3nc4cnccn4c3NC(C)(C)C)CC2)oc2ccccc12 19566029 FDGFILREMLIHJY-UHFFFAOYSA-N 431.540 5.014 0 40 IKAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCCCCC1 20487503 RFSZEIREEBRSMR-HSZRJFAPSA-N 442.625 5.077 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CN2CCCC2=O)cc1 20487770 HGJBUNNULWAWIQ-UHFFFAOYSA-N 428.576 5.529 0 40 IKAB O=S(=O)(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1ccc(Cl)s1 20554894 HJWLGMPYHQFFSJ-UHFFFAOYSA-N 449.001 5.040 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 22235476 XZLSGQYERGOEGZ-UHFFFAOYSA-N 430.891 5.646 0 40 IKAB O=C(Cc1cccc2ccccc12)NC[C@H](c1ccsc1)N1CCc2ccccc2C1 22766096 AIKBYPLEXVHZAU-AREMUKBSSA-N 426.585 5.360 0 40 IKAB C[C@H](NC(=O)c1cc2cc(Br)ccc2[nH]1)c1nc2ccccc2n1C(F)F 25673303 BKGNMUFHHOGXQB-JTQLQIEISA-N 433.256 5.166 0 40 IKAB COc1cc(CN(C)C(=O)c2cc(-c3ccccc3F)on2)ccc1OCc1ccccc1 30041034 XISGEKWBHTUVJW-UHFFFAOYSA-N 446.478 5.341 0 40 IKAB COc1cc(/C=C/C(=O)N2CCSc3ccccc32)ccc1OCc1c(C)noc1C 32997887 LDHHKYVMNHCSOX-PKNBQFBNSA-N 436.533 5.031 0 40 IKAB CC(C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 36617076 JTGWHPGSRDVPBS-UHFFFAOYSA-N 431.386 5.322 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(OC)cc4OC)cc3n2)cc1 59294132 OLIPZHBWFSYNRX-UHFFFAOYSA-N 444.535 5.341 0 40 IKAB O=C(c1ccccc1F)N1CCC(CCCC2CCN(Cc3ccccc3F)CC2)CC1 59474664 WYSLZRLPJINMRB-UHFFFAOYSA-N 440.578 5.900 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cc(F)ccc2F)cc1 71328050 FGZFKVOBYYJKHT-UHFFFAOYSA-N 445.535 5.453 0 40 IKAB O=C(c1ccsc1)N1N=C(C2CC2)C[C@H]1c1cc2cc3c(cc2nc1Cl)OCO3 89885417 VWIOTJYTBLPMPG-KRWDZBQOSA-N 425.897 5.032 0 40 IKAB Cc1c(C(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cnn1-c1ccccc1 96119728 CXTYHWMFADHBAV-UHFFFAOYSA-N 441.516 5.135 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)NCCc2c[nH]c3ccccc23)C12CCCC2 96344110 MEHLZIKREJFBQD-VWLOTQADSA-N 443.591 5.179 0 40 IKAB CC1=C[C@H]2C[C@H]1[C@@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@H]12 101459491 SFPYDOIXKBOBNZ-UQAQOTMJSA-N 443.543 5.043 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(C(C)(C)C)cc4)[C@H]3C2=O)c1 102752837 LDNOEDBPXLUFCK-UBFVSLLYSA-N 440.543 5.344 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 107027433 NIGOJWBKGMLKIF-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB Cc1cccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 108092950 NOGVTIOZKZNCLJ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 118930478 CCIXUKKJUQWDOM-YXHPPUAUSA-N 444.656 6.475 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 223209026 SALFDSWWYZJJLZ-XMMPIXPASA-N 438.612 5.185 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCCOC(C)C)c1ccccc1 223415693 QMHPMGMVRWZRMC-XMMPIXPASA-N 445.003 5.141 0 40 IKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 223493539 PRQYBCZPPGDWKO-HHHXNRCGSA-N 446.566 5.445 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 223923139 OXYCLGMRYBHHHB-OAHLLOKOSA-N 439.408 5.029 0 40 IKAB Cc1ccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224177674 XMQVQOZEPZFQDS-IBGZPJMESA-N 447.044 5.320 0 40 IKAB COc1cccc(NC(=O)c2ccc(OC)c(COc3ccc(-c4ccccc4)cc3)c2)c1 224218407 FUJMNEMYXCULDJ-UHFFFAOYSA-N 439.511 6.202 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1C 224276331 MHIBPIVBZXPPMU-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)Cc1c(F)cccc1Cl 224407161 TZYGEECZZOXEIC-JOCHJYFZSA-N 448.941 5.027 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccc(C)cc1 224467521 CJSNMXYCQVWUGV-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1CSc1ccccc1 224653954 FWDIVIVSIDTDFZ-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 224738155 XPZPRLXJHWDPRT-IBGZPJMESA-N 447.044 5.464 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C1CC1 225338560 CRKNMJSQCDSGKQ-DQEYMECFSA-N 446.620 5.799 0 40 IKAB CCOc1ccccc1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225396287 WLZSQHZMTDWENO-UHFFFAOYSA-N 436.646 6.297 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225481601 HJAZYLXONVJRML-YKSBVNFPSA-N 438.612 5.085 0 40 IKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccccc4Cl)CCCC3)cc2)C1 225526128 SHKKMHGPFWFQNX-FQEVSTJZSA-N 441.015 5.901 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225662233 TWWJIGIHUMGGJX-YADARESESA-N 426.576 5.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225698517 XVFAYVQSTWHGOT-VGOFRKELSA-N 449.422 5.648 0 40 IKAB C[C@]1(NC(=O)Cc2ccccc2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(F)c2)C1 257259282 KXQKULTXGGHNCQ-GSLIJJQTSA-N 437.942 6.190 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccc(Br)cc1)C[C@]2(C)NC(=O)C1CCCC1 257329266 XJDDBFHLOKRFBU-VUUZQCJOSA-N 434.418 5.780 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 260766357 JRSPQRWYQMMQSH-HBGVWJBISA-N 442.510 5.871 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(Sc3ccc(Cl)cc3)cc2)S1 260771990 MCODFFANQSAFPS-UJUVCNOISA-N 438.021 6.476 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=C(CC[C@]12C)[C@]1(C)CCC(=O)C(C)(C)[C@@H]1CC3 263600308 JVYYINJWLIGZGB-NHUIANNISA-N 426.729 8.767 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)cc2)C1=O 408530313 KELCHNNXMBZFPL-ZHZULCJRSA-N 441.574 5.526 0 40 IKAB COc1cc(/C=C(\Sc2nc3ccccc3o2)C(=O)O)ccc1OCc1ccccc1 408631997 CHTOSBWWCKMLFL-HMAPJEAMSA-N 433.485 5.633 0 40 IKAB CCc1nc(S/C(=C\c2ccccc2OCc2cccc3ccccc23)C(=O)O)n[nH]1 408633255 XGMYXBGOTVFKDS-STZFKDTASA-N 431.517 5.317 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408647258 UVKRNJRMFHCZDP-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2ccccc2)c1 408699621 YFOGSQABZYGJAM-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1cccc(Cl)c1 409118780 UREUNEOYVZKAAW-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc(Cl)c1OC 409137638 XLVRPAPNJZCGCN-XMHGGMMESA-N 431.941 5.416 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4cccc(Br)c4)C3=O)c[nH]c12 409165417 XZVWZZBPTJWFCQ-ZDLGFXPLSA-N 441.350 5.729 0 40 IKAB C[C@@H](Oc1ccc2ncc(/C=C/C(=O)O)c(C3CC3)c2c1)c1c(Cl)cccc1C1CC1 1775953402 HOMQCLNBKVHZGD-SAAWKEMMSA-N 433.935 6.881 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccc(OC)cc1 1321309 KJJRMMJUEQODIL-UHFFFAOYSA-N 444.483 5.381 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(C(=O)c1ccccn1)c1ccccc1 1339130 TYYZXLCVPDVYLE-DEOSSOPVSA-N 431.511 5.058 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(COc3ccccc3)nc3ccccc23)c1C 1356089 HGNYAQJRJXYXJA-UHFFFAOYSA-N 429.545 5.556 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c1C 1448768 JMESXJBPGPACPU-HSZRJFAPSA-N 438.593 5.755 0 40 IKAB COc1ccc(-n2c(SCc3nc4ccccc4s3)nnc2-c2cccs2)cc1 1454326 KNNUWUGIIOQYBK-UHFFFAOYSA-N 436.587 5.906 0 40 IKAB COC(=O)N1CC[C@@H](Sc2ccccc2)[C@@]2(CCSc3ccccc3)CCC=C12 1623117 QUCPPNXNVVBRLL-ISKFKSNPSA-N 425.619 6.466 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C 1759845 FESBAMQBMONVEG-RLWLMLJZSA-N 426.560 6.390 0 40 IKAB CSC1=Nc2sc3c(c2[C@@H](SCC(=O)N[C@@H](C)Cc2ccccc2)N1)CCCC3 2117780 CICZKHRHCRHJSN-VBKZILBWSA-N 445.679 5.060 0 40 IKAB O=C(NCc1cccc(Cl)c1)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 2119552 WKHWMGRVAHLXEJ-UHFFFAOYSA-N 439.946 6.085 0 40 IKAB biogenic Fc1ccc(COc2ccccc2CNc2ccc(-c3nc4ccccc4s3)cc2)cc1 2138296 ADQFDKPDZDPYSI-UHFFFAOYSA-N 440.543 7.294 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCc1ccc(Cl)cc1 2189104 VFHCOMWOUPJLTG-STZFKDTASA-N 433.891 5.662 0 40 IKAB Clc1ccc(-n2c(SCc3cccc4ccccc34)nnc2-c2ccccn2)cc1 2352474 UECUZWYLEPEOAW-UHFFFAOYSA-N 428.948 6.428 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(F)cc2)c1C 2546423 DOWPCTVVLPTYDE-HSZRJFAPSA-N 431.536 6.353 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c3ccccc3n2)cc1 2753288 ZJTXTZYHSLEZLT-UHFFFAOYSA-N 429.523 7.206 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)sc(C)c1-c1ccc(Cl)cc1 2767241 BFXLYVVNEZCVEZ-HOTGVXAUSA-N 449.956 5.383 0 40 IKAB Cc1ccccc1CSc1nc2ccsc2c(=O)n1-c1ccc(Br)cc1 2908711 WCWHDVXHXHPCRB-UHFFFAOYSA-N 443.391 5.810 0 40 IKAB CCCCOc1ccc([C@@H](CC(=O)c2ccc(OC)cc2)Nc2ccc(Cl)cc2)cc1 3100907 FLGCDOAHROWSES-RUZDIDTESA-N 437.967 6.954 0 40 IKAB Cc1sc(NC(=O)Nc2cccc3ccccc23)nc1-c1ccccc1OC(F)F 3196073 FNODTGYHQGLZGG-UHFFFAOYSA-N 425.460 6.517 0 40 IKAB Fc1cccc(Cl)c1CSc1nnc(-c2ccccn2)n1-c1ccc(Cl)cc1 3286483 YGBCEVABEKRSLH-UHFFFAOYSA-N 431.323 6.068 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccc(F)c(F)c3)nnc2-c2cccc(C)c2)cc1 3328052 CUXZAQYLBJNRQX-UHFFFAOYSA-N 435.499 5.804 0 40 IKAB CC(=O)c1ccc(N(C(=O)CCCOc2cccc(C)c2)c2nc3ccccc3s2)cc1 3421020 NAOCNHUQMCYMND-UHFFFAOYSA-N 444.556 6.331 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(C)c1 3426882 XTXBDHBGTJTUQA-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1 3658651 YMIHCNKXXBDBNI-UHFFFAOYSA-N 429.495 6.658 0 40 IKAB COc1cc2c(c3c1CCC(C)(C)O3)Cc1c(cc(OC)c(OC)c1CCC(C)(C)O)O2 5051932 CYIFVAYBPKBSDN-UHFFFAOYSA-N 442.552 5.216 0 40 IKAB CCCCCCc1cc(-c2[nH]ncc2-c2ccc(Br)cc2)c(O)cc1OC 5297541 TYVIOQVYLZSVKU-UHFFFAOYSA-N 429.358 6.343 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cccc2c(Cl)cccc12 8590658 NYDKVPPILDFKJK-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCc1ccc(-c2cn3c(-c4ccccc4)c(-c4ccccc4)nc3n2CCCCO)cc1 8739926 GFCSJYUYDQNNSX-UHFFFAOYSA-N 435.571 6.472 0 40 IKAB Cc1ccc(N2C(=O)[C@H](CSc3cccc(C(F)(F)F)c3)[C@H]2c2ccccc2)cc1 8925832 ZIPSXGCDAIGLJZ-FGZHOGPDSA-N 427.491 6.510 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@@H]1c1ccc(F)cc1 9414674 KHEPNVLXBKYUCU-HXUWFJFHSA-N 448.548 5.300 0 40 IKAB CCc1nc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)c2oc3ccccc3c2n1 9478833 HBRSQIADMABFGN-UHFFFAOYSA-N 432.332 5.976 0 40 IKAB O=C(Nc1cnn(Cc2ccc(Cl)cc2Cl)c1)c1cc(-c2ccc(F)cc2)on1 9597803 ZVYQMXIWFUUNNC-UHFFFAOYSA-N 431.254 5.285 0 40 IKAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1C1CCCCC1 9793122 WRWLWNAHUZWSGK-SFHVURJKSA-N 434.609 5.728 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 9883442 SVMIRATUYDKDJW-GOSISDBHSA-N 434.517 5.551 0 40 IKAB C[C@@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@@H](C)O1 12620828 JWVCPRQCIKOFRB-PJIJBLCYSA-N 426.866 5.148 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 12972543 GUFVRVZYDXLIEP-GOSISDBHSA-N 445.544 5.743 0 40 IKAB COc1cccc(CCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)c1OC 13041553 JIVPZTHNDPESQL-UHFFFAOYSA-N 436.577 5.205 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccccc3n2CC(=O)N2[C@H](C)CCC[C@H]2C)cc1 13082909 ZSJUNKCEQZMPCX-RTBURBONSA-N 435.593 5.109 0 40 IKAB Cc1ccc2c(c1)c1c(n2C[C@H](O)CNC(c2ccccc2)c2ccccc2)C(=O)CCC1 13138017 COSFDBHTQGGMSC-HSZRJFAPSA-N 438.571 5.209 0 40 IKAB CCC(=O)N(CC[C@H](c1ccc(OC)cc1)[C@@H]1CCOC(C)(C)C1)c1ccc(Cl)cc1 13775030 XYUDXRXUPNUPII-HYBUGGRVSA-N 444.015 6.471 0 40 IKAB Cc1cc(NC(=O)[C@@H](C)Oc2cc3ccccc3cc2C(=O)Nc2ccccc2C)no1 14129234 CPNIXWYMZFZGTM-QGZVFWFLSA-N 429.476 5.103 0 40 IKAB O=C(c1ccco1)N1CCC(Nc2ncnc3cc(-c4ccc(Cl)cc4)sc23)CC1 14140922 CDAANVZHIVJCIW-UHFFFAOYSA-N 438.940 5.321 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 14400242 LMNYNXUWBHTHDL-FQEVSTJZSA-N 427.548 5.420 0 40 IKAB COc1ccccc1C1=Nc2c(-c3ccc(Cl)cc3)c(C)nn2[C@H](c2cccnc2)C1 14607629 WHOVEMUIHBOSJL-QFIPXVFZSA-N 428.923 6.029 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2cccc(O[C@@H](C)CC)c2)c1 14831550 VZABGOZEUVMQRN-AWEZNQCLSA-N 447.988 5.383 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(Br)cc2)N3)C1 16192971 PZRBVADPKFNFKU-SCLBCKFNSA-N 433.415 6.481 0 40 IKAB COc1cccc(CNCc2ccccc2Cl)c1OCc1ccc(Cl)cc1Cl 16228259 QVUZYONRHBXESF-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB Oc1nc(/C(Cl)=C/c2ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc2)nc2ccccc12 16441410 MVUZHZWMDXZUPW-GQPJMJRUSA-N 448.750 5.944 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4s3)c(Cl)c2)cc1 16639221 USCWFUDJBCXVJQ-UHFFFAOYSA-N 436.964 7.048 0 40 IKAB Cc1ccc(C)c(NC(=O)Cn2nc(COc3ccc(Cl)cc3Cl)oc2=S)c1 16769591 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Cc1ccc(CSc2ncc(Cl)c(C(=O)Oc3cc(C)ccc3C(C)C)n2)cc1 28290491 KXHHTULLZCRODY-UHFFFAOYSA-N 426.969 6.382 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2-c2ccccc2)c1 32686336 ABXRKCJNCXWWCN-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(O)c4ccccc4n3)cs2)cc1OC 32911015 IBHGWUZGFDGNLH-UHFFFAOYSA-N 425.535 5.159 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272037 DGIXIKGKQKPTBB-UHFFFAOYSA-N 434.561 5.178 0 40 IKAB COc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 35168827 JOJKUGVCCPAHTI-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB O=C(OCC1c2ccccc2-c2ccccc21)N1CCc2c(Cl)nc(Cl)nc2C1 35269847 GXPAXPHMFPCJGO-UHFFFAOYSA-N 426.303 5.091 0 40 IKAB Cc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCc3ccccc3Cl)cc2)S1 35645089 QCXVYKILXGGUED-HYARGMPZSA-N 434.948 6.310 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646128 UKHMWBYBLSYKCC-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 44917201 ZOKIBBQIRUKWPT-UHFFFAOYSA-N 447.406 6.166 0 40 IKAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)c2ccccc2O1 44918446 WLXHFVIZDZIZIA-NRFANRHFSA-N 430.951 5.110 0 40 IKAB CC[C@H](NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1)c1nc(-c2ccccc2)c[nH]1 48354605 OUBZWBDGDWXLAW-ZGKFYVQTSA-N 425.916 5.028 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(F)c(F)c2)n1Cc1ccccc1Cl 67258538 RLQHJIHICWYFCU-UHFFFAOYSA-N 428.891 5.669 0 40 IKAB CCc1ccc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1 108239984 QLRFDAUSEFJAKB-UHFFFAOYSA-N 425.362 5.603 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 216348372 CJFAMVAZFCHPAV-OAHLLOKOSA-N 434.374 5.402 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219962252 XRVODWIDYJIJLS-UHFFFAOYSA-N 442.603 5.259 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)CC(C)(C)c1ccccc1 222911176 PSTWASKRAWKZJG-HLILLCKBSA-N 430.548 5.232 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)c(C)c1 222979284 DZRCJUQMCUEAFF-VXKWHMMOSA-N 425.001 5.607 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 223140904 OXGJWSLSLAANLI-NRFANRHFSA-N 438.612 5.005 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223966084 MHVLJNIYENKIFE-UHFFFAOYSA-N 426.513 5.004 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1 224199790 DMPHEAZEGTYDOO-XMMPIXPASA-N 438.637 5.094 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)cc1 224275413 FFEZBYPSXBESLR-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)nc1 224456722 XCZMSMBWLZQGCZ-DHIUTWEWSA-N 445.979 5.406 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)cc1Cl 224531009 HNPIZXOJXZVMQJ-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3Cl)CC2)cc1 224541898 XDCZBJAYDGDWJL-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224777027 OULUBSBTGYRYNV-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224895740 YTDNPNQVKVBROY-UHFFFAOYSA-N 432.479 7.053 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 224943442 BMBXKMIIKGRTKS-XMMPIXPASA-N 440.653 5.099 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 225138336 RUXHGOASTHQWJR-LJQANCHMSA-N 447.044 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 225206284 HGOFNUGAFBPCJH-RBUKOAKNSA-N 445.003 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 225630626 MZYPVZPMIUGTNW-CVDCTZTESA-N 429.004 5.221 0 40 IKAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(OCc2ccccc2Cl)c1 225780174 OXQWLNDVTPDXAO-UHFFFAOYSA-N 434.967 5.097 0 40 IKAB Nc1cc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)ccc1Br 226272586 QFYKNLVCTOEZFN-UHFFFAOYSA-N 427.142 5.321 0 40 IKAB CC(C)(O)[C@H]1CC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 255209581 FNUXMEOWJVTJJE-DTXRQUTOSA-N 444.744 7.220 0 40 IKAB CCCCn1nc(-c2cc(C(=O)O)ccc2OCCC)cc1-c1cccc(OC)c1OC 257200500 ADOUHLXQSZNMLR-UHFFFAOYSA-N 438.524 5.521 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(C(=O)CC2CCCCC2)CC1 257230033 GAMNYYQVHWAMSS-UHFFFAOYSA-N 447.623 5.006 0 40 IKAB CC(C)[C@@H]1O[C@@H]2c3cc(CCC(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1ccc(Cl)cc1 257238526 HLLKSSRBTWUNBU-PLUJKLCDSA-N 442.983 6.414 0 40 IKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCCC)cc1-c1ccc(Cl)cc1 257282986 OWDXZTGVDZNGKS-UHFFFAOYSA-N 426.944 6.087 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1S(=O)(=O)N1CCCCCC1 408556196 IGHLAJXGVYATSN-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2C(=O)NC(C)(C)C)c2ccccc2)cc1 408563413 MNGQZYZOVDXMOC-PTGBLXJZSA-N 428.532 5.403 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)Nc3ccc(C)cc3)c3ccccc3n2)cc1 408672823 XFNTYCGSRYZQHC-UHFFFAOYSA-N 426.472 5.014 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)NCc2ccccc2)nc1-c1ccc(Cl)cc1 408692489 NNSLUWBDZDULMZ-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1cccc(Cl)c1 408696253 YQTGBRHGXNXXMF-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\c3ccncc3)N=C2c2ccc(Br)cc2)cc1 408847189 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UWXYEYDZONWXMX-UHFFFAOYSA-N 437.967 6.830 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(Cl)nc3)cs2)cc1 585294753 JEKUTRZOQLXDSH-IBGZPJMESA-N 426.973 5.343 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)c(C)c2)nnc1-c1cccc(C)c1 661073 OQBHOYLZSBDREV-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)COc1cc(C)ccc1C(C)C 708657 QRXPSSKUXATYTL-UHFFFAOYSA-N 443.590 6.103 0 40 IKAB C[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc43)c2C1 717498 DNFAENMWYCRFCS-AWEZNQCLSA-N 425.937 6.165 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccc(F)cc3)cc(C(F)(F)F)n2)cc1 890908 WUPGMZKRAYSEJW-UHFFFAOYSA-N 437.418 5.041 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 919461 SLQZYQKTKIYSIX-APWZRJJASA-N 447.461 5.235 0 40 IKAB CCc1nc(SCC(=O)Nc2nc(-c3ccc(OC)cc3)cs2)c2ccccc2n1 1332543 PNOGWXORVUFJBW-UHFFFAOYSA-N 436.562 5.055 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1371570 WHXGEEVZEDRAOJ-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@H]1C 1759849 FESBAMQBMONVEG-QFQXNSOFSA-N 426.560 6.390 0 40 IKAB O=C(NCc1cccc(Oc2ccccc2)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 1774883 KNJRLSHZEHQWFY-UHFFFAOYSA-N 446.506 5.898 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3c(C)cc(C)cc23)cc1 2079794 BFNUZWUUCFTVBH-UHFFFAOYSA-N 430.935 6.823 0 40 IKAB Cc1ccc2nc(NC(=O)c3ccc4c(c3)c(C)c(C)n4Cc3ccccc3)sc2c1 2091359 UOOMWUMXFYRZJW-UHFFFAOYSA-N 425.557 6.477 0 40 IKAB CC(C)CCNc1nc2ccccc2nc1NS(=O)(=O)c1cc(Cl)ccc1Cl 2426680 ISIXVYIPXMWFPI-UHFFFAOYSA-N 439.368 5.195 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(Cl)cc2)c1 2442232 OKIXDDLYHZFDKE-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB CN(Cc1ccccc1)C(=O)COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 2649339 OHUQNAJDNTVPTB-UHFFFAOYSA-N 444.918 5.371 0 40 IKAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(I)cc2)cc1 2746618 FNYNCRNORALMLU-FQEVSTJZSA-N 440.284 5.371 0 40 IKAB CCOc1cc(C=O)c(Br)c(Br)c1OCc1ccccc1Cl 2767664 PLUCUZQWBLMBFC-UHFFFAOYSA-N 448.538 5.655 0 40 IKAB O=C(N[C@H](Nc1cc(C(F)(F)F)ccc1Cl)C(Cl)(Cl)Cl)c1cccnc1 3091957 YZENESUZOSIEII-ZDUSSCGKSA-N 447.071 5.292 0 40 IKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1cc(Cl)cc(Cl)c1 3320227 KOWKIXLERCNEGC-JTQLQIEISA-N 442.418 6.089 0 40 IKAB Cc1ccc(-c2cc(-c3nnc(SCc4ccc(F)cc4)n3C)c3ccccc3n2)cc1 3338433 HVPRSQXLNLQWJE-UHFFFAOYSA-N 440.547 6.437 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3409812 RYKSUJKEGOKUHL-UHFFFAOYSA-N 438.493 6.544 0 40 IKAB Cc1cc(C)cc(-n2c(S[C@H](C)C(=O)N(C)c3ccccc3)nc3ccccc3c2=O)c1 3477312 NQWDBLWFTULTHH-LJQANCHMSA-N 443.572 5.146 0 40 IKAB CCOc1ccc(-c2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)cc1 4614249 VIMPXHPCMMPDIK-UHFFFAOYSA-N 426.560 5.999 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C2CCCCC2)c1 6442448 PVDMACAZYASLRT-UHFFFAOYSA-N 449.576 5.097 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)cc2)c1 6516563 KOGVASNISISNQJ-UHFFFAOYSA-N 425.598 5.229 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 6616166 OHCGSKZJAYJUIE-MRXNPFEDSA-N 428.598 5.285 0 40 IKAB Cc1ccc(OCC(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)cc1 8426249 BSLKWEGBCGVFAR-MHZLTWQESA-N 433.979 6.549 0 40 IKAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2cccc(OC)c2)cc1OCC 8497548 PVRLQVYYKWLJLN-DEOSSOPVSA-N 433.548 5.597 0 40 IKAB CSc1nc(NCCN(C)C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 8657511 VTQQNUCWDWLTGH-UHFFFAOYSA-N 435.622 5.091 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)o1 8717620 MIHQNVGYNIPBET-WIYYLYMNSA-N 427.273 5.732 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 8755677 ASCKVYXRIJASAZ-IBGZPJMESA-N 445.950 5.576 0 40 IKAB Cc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)nc1 8845996 LDJHPJWUZLBKHL-HSZRJFAPSA-N 428.463 5.509 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(C(C)(C)C)cc3)S[C@H]2c2ccc(Cl)cc2)cc1 8917146 OCDZLSBLUPBNMY-ASSGYOTOSA-N 448.031 7.766 0 40 IKAB COc1cccc(NCc2nnc(SCc3nc4ccccc4o3)n2C2CCCCC2)c1 9222612 UXZQIDBPCDKFJN-UHFFFAOYSA-N 449.580 5.838 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@H](c4nc5ccccc5s4)C3)s2)cc1 9256049 UXLBZUQWVOWDAO-KRWDZBQOSA-N 449.601 5.757 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)nc3ccc(Cl)cc3c2-c2ccccc2)cc1 9491690 MIGQASHUOJJMGR-UHFFFAOYSA-N 443.934 6.003 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 9584599 LKIQAOAVBKZVHD-UHFFFAOYSA-N 426.831 5.125 0 40 IKAB CN(CC(=O)Nc1ccccc1SCc1ccccc1)Cc1nc2ccccc2s1 9911412 KVZQAVRKIFWSLV-UHFFFAOYSA-N 433.602 5.659 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4ccc(C)cc4)cc3)nc2c1 10119700 LXFOIDGZNYIOEZ-UHFFFAOYSA-N 435.321 6.380 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccncc4)n3C3CC3)cs2)cc1 10213441 ZPGUMGGEOFQEOO-UHFFFAOYSA-N 425.970 5.744 0 40 IKAB CCn1c(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)nnc1-c1ccccc1 11020558 UVUFZFFNMBFMQV-UHFFFAOYSA-N 442.588 5.305 0 40 IKAB CCCCCc1c(C)c2cc3c(-c4ccc(Br)cc4)coc3c(C)c2oc1=O 11691915 PXFFYQQUMIGWIN-UHFFFAOYSA-N 439.349 7.318 0 40 IKAB CCN(CC)Cc1nc(N[C@H](c2ccccc2)c2ccccn2)c2c(C)c(C)sc2n1 12585758 LSNPWDXSCGRYGE-HSZRJFAPSA-N 431.609 5.746 0 40 IKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1ncc(C(F)(F)F)cc1Cl 12624882 IJAMVLZXYFJXTK-UHFFFAOYSA-N 448.828 5.140 0 40 IKAB C[C@H]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2S1 12682238 HKWKQWQUKBAVOP-INIZCTEOSA-N 436.606 5.154 0 40 IKAB CCN(CC)Cc1nc(SCCC(=O)Nc2ccccc2F)c2c(C)c(C)sc2n1 12910857 QMBLWEMFIIIZPS-UHFFFAOYSA-N 446.617 5.410 0 40 IKAB Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 13000925 YPEGMVBCJMGNFK-UHFFFAOYSA-N 434.348 5.136 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)cc1 13006407 VBGCBVUACYDARU-QFIPXVFZSA-N 440.540 5.683 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1 13025668 MXDJGNLOZICRBW-VWLOTQADSA-N 448.538 5.212 0 40 IKAB COc1ccc2oc(C(=O)OCC(=O)N(Cc3ccccc3)Cc3ccccc3)c(C)c2c1 13062415 HPFAOUWEPUCTFC-UHFFFAOYSA-N 443.499 5.136 0 40 IKAB Cc1ccccc1/C=C1\SC(=O)N[C@]12Oc1ccccc1[C@H]1CC(c3ccccc3)=NN12 13150176 DPFINXDAQAEMFU-ZTRRBLLISA-N 439.540 5.690 0 40 IKAB Clc1cccc(-c2nc(-c3ccc(-c4ccccc4)cc3)[nH]c2-c2ccccc2)c1Cl 13563905 JLQBCMZKPUKYSH-UHFFFAOYSA-N 441.361 8.385 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 13752240 BHOCTWYDPRAXIO-KSSFIOAISA-N 448.589 5.029 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3ccc(Cl)cc3Cl)n2)cc1C 13960621 BVXBJCCCHMKKLX-UHFFFAOYSA-N 435.398 7.806 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c(F)c1F 14272364 HJCWSAUYUNYSGO-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB O=C(NCc1ccc2c(c1)OCO2)c1ccccc1CSc1nc2ccccc2s1 16023179 SOSUEMLNSVLPKZ-UHFFFAOYSA-N 434.542 5.247 0 40 IKAB O=C(NCCc1cn(C(=O)Nc2cccc3ccccc23)cn1)Nc1cccc2ccccc12 16544960 BNYUKCPRCIVGNJ-UHFFFAOYSA-N 449.514 5.634 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17096508 SJIJLPLEVFVJHM-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 17098198 QPYZNUWHVCFTAD-UHFFFAOYSA-N 432.863 5.545 0 40 IKAB Cc1sc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)nc1-c1ccc(Cl)cc1Cl 17103203 SDPDRCNKRAOSEB-JWAGFEDZSA-N 439.364 5.501 0 40 IKAB CC1=C(C)/C(=C/c2[nH]c(C(C)c3[nH]c(/C=C4/N=CC(C)=C4C)c(C)c3C)c(C)c2C)N=C1 17145474 QDWMWIXQAFTKNS-AQYLCCQOSA-N 426.608 7.252 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294103 MNGYMDRLYQAADQ-XXBNENTESA-N 443.526 5.441 0 40 IKAB CCOc1ccc(CCC(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19533084 YSIINUWXVWEKBM-UHFFFAOYSA-N 443.494 5.206 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccccc4Br)cc3)nc2c1 19648615 CWHLKNZZEZCMJW-HNNXBMFYSA-N 449.348 7.023 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c2ccccc2)cc1 20035416 NDPPXKBFISRLEP-SSEXGKCCSA-N 446.594 6.073 0 40 IKAB O=C(c1cn(CCOc2ccc(F)cc2)c2ccc(Br)cc12)C(F)(F)F 20059003 KRXZZNKXNVLOLZ-UHFFFAOYSA-N 430.195 5.367 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc1 20151654 GQAZWNYIBDLVFH-UHFFFAOYSA-N 425.337 5.116 0 40 IKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013243 ZMEWDHWRCMDMKW-UHFFFAOYSA-N 425.964 5.292 0 40 IKAB CC(C)(C)c1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)N2CCCCC2)cc1 32622641 DUIAWLBGUKLNJV-NRFANRHFSA-N 437.609 5.658 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ncc(Cl)c(Cl)c2Cl)N2CCCCC2)cc1 32969156 XBMWLVYFCQZXNG-INIZCTEOSA-N 442.774 5.007 0 40 IKAB CCOc1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 35647985 ISTXTHGACMPKAG-CXUHLZMHSA-N 426.847 5.649 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4cccc(F)c4)Oc4c(OCC)cccc4[C@H]3C2)cc1 36352237 RQZYOSJDZGDWNG-BVAGGSTKSA-N 432.495 5.865 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccc(Br)cc2)[nH]n1 40478304 GZGAHYYMYMJPPG-UHFFFAOYSA-N 444.638 5.764 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 40945164 RZOJYYFKMJSTJM-QGZVFWFLSA-N 435.951 6.275 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46078996 NAFIHYZIPPVHBM-UHFFFAOYSA-N 442.412 5.690 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cn3cnc(C(=O)Nc4ccc(F)c(F)c4)c3)cc2)cc1 49422133 JBJWRAWAFRFMNR-UHFFFAOYSA-N 446.457 5.023 0 40 IKAB COc1cccc(CN2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 55396233 JKTYQHDSBCHART-UHFFFAOYSA-N 441.527 5.361 0 40 IKAB CCN(Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1)C[C@@H](O)c1ccc(C)cc1 72305239 ZMMYPVCFIDQKQL-OAQYLSRUSA-N 447.604 5.132 0 40 IKAB COc1ccccc1-c1noc([C@@H](C)Nc2nc(-c3cccs3)nc3ccccc23)n1 72307646 WTAPHMKKQYEDRF-CQSZACIVSA-N 429.505 5.590 0 40 IKAB COc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 107031081 YTLCWJATDFKZAH-UHFFFAOYSA-N 428.326 5.657 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(I)cc1C 216415729 RNEPFSSOOJLWIS-MRXNPFEDSA-N 429.685 5.049 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1 216434477 YMSXAOJPRPQRLU-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)cc1 222544441 NQWZSKLEHXMODN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 223024371 LGYMTECDDFJDAA-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)o1 223115166 YUQNMVXFMJJFLK-PKTZIBPZSA-N 447.560 5.345 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(C)C 223323220 CCAGYPBHPLWGPU-CQSZACIVSA-N 430.397 5.614 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 223387821 DJXGXLNPEKIOGT-JOCHJYFZSA-N 429.004 5.303 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cc(C)cc(C)c1 224022138 OCBFYWHCLOXMMB-MHZLTWQESA-N 442.603 5.012 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224972830 PVMVTSITJGKNRX-UHFFFAOYSA-N 442.540 5.336 0 40 IKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1Cl 225552557 KOULSTHNXGODHH-INIZCTEOSA-N 436.379 6.248 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2cccc3c2CCCC3)cc1 225604048 XKNZQCNKISTFOO-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB O=C(CCc1nc(-c2cccs2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 225841699 MEBSFMBDCIQSFN-UHFFFAOYSA-N 425.897 5.815 0 40 IKAB CN(Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccccc2Cl)[C@H]1O 257269449 MPYNNIKMRHOWDB-QKDODKLFSA-N 435.011 5.366 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2Cl)o1 257306608 SVAKWIKNBXUUBA-HSZRJFAPSA-N 431.923 5.834 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3cccc(Cl)c3)cc2)N1c1ccc(Cl)cc1 408560403 ZDIYCGCGJOJPDU-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(C)ccc2C)n1 408696711 BJKOBPRLVNZWOW-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc2ccccc2c1 408714044 HHEIXXCXSIZWCR-UHFFFAOYSA-N 429.520 5.225 0 40 IKAB COc1cccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 408759165 ZBESIGJSWZSYSD-KEKSMWEKSA-N 433.507 5.119 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccccc2F)c(Cl)c1 409098317 KXGDPODIQCLKOJ-MFOYZWKCSA-N 447.815 6.570 0 40 IKAB Clc1ccc(-c2nnc(SCCCc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409100756 UYGUJOHJQXNSID-UHFFFAOYSA-N 440.399 6.966 0 40 IKAB CCc1ccc(NCc2ccc(OCc3ccc(Cl)cc3)c(Br)c2)cc1 409116947 MQAOVOIYCXURRA-UHFFFAOYSA-N 430.773 6.856 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409169380 YBGUUWFTYJBKAP-LNLJWIGCSA-N 430.498 6.514 0 40 IKAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)O[C@@H](C(=O)c1ccccc1)c1ccccc1 409178607 LPKCCJODCAUMNZ-HSZRJFAPSA-N 437.879 5.088 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](c1csc2ccccc12)N(C)C 575622503 ZGVRXYVCDSVRIN-LJQANCHMSA-N 439.968 5.551 0 40 IKAB COc1ccccc1-c1cc(-c2cc(C)cc(C)c2OCC(=O)O)nn1Cc1ccccc1 585265145 WTDYFPKVMJJUOV-UHFFFAOYSA-N 442.515 5.354 0 40 IKAB O=C(Nc1cc2c(cc1C(=O)c1ccccc1Cl)OCCO2)c1cccc(Cl)c1 717736 HHGQTTQMBUISKW-UHFFFAOYSA-N 428.271 5.248 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)Nc1c(Cl)cccc1Cl 948821 FYNBOIPXCZZXHR-UHFFFAOYSA-N 446.384 6.396 0 40 IKAB O=C(c1ccccc1Cl)N1CCc2c([nH]c3ccccc23)[C@@H]1c1ccc2c(c1)OCO2 1060693 LGLNINDXYLXPNZ-DEOSSOPVSA-N 430.891 5.338 0 40 IKAB biogenic O=C(Nc1ccc(F)cc1)c1sccc1S(=O)(=O)Cc1cccc(C(F)(F)F)c1 1393162 RBCLFKLYLYJDDS-UHFFFAOYSA-N 443.443 5.132 0 40 IKAB Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Cc2c(Cl)cccc2Cl)cc1 1393240 TZFKYOKIHWGUBA-UHFFFAOYSA-N 440.373 5.590 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1ccc2ccccc2c1 1772429 AHMBWNLYBAFNRX-UHFFFAOYSA-N 426.903 5.949 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(C)(C)C)cc1)Nc1ccccc1-2 2086903 ZDFAWNPLKWHEFM-HSZRJFAPSA-N 448.636 7.012 0 40 IKAB c1ccc2c(c1)C[C@@H](O[C@@H]1Cc3ccccc3Sc3ccccc31)c1ccccc1S2 2187346 HCUKEBCEJKFZER-DNQXCXABSA-N 438.617 7.900 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1)c1ccc(F)cc1 2225491 FFHDVHFUOJMHQH-UHFFFAOYSA-N 427.888 5.354 0 40 IKAB CCc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4F)cc2-3)cc1 2691313 OUQNMYIPUZNHNU-UHFFFAOYSA-N 441.506 5.970 0 40 IKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCc1c(F)cccc1Cl 3134849 KRRGWNBUTGHHDM-UHFFFAOYSA-N 442.412 6.470 0 40 IKAB CCN1C(=S)N[C@H](c2c(F)cccc2Cl)C(C(=O)Nc2ccc(C)cc2C)=C1C 3263798 DDZDASTWJWZKEW-FQEVSTJZSA-N 431.964 5.260 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655460 HMLJEKZEZBRMKC-KRWDZBQOSA-N 429.472 5.387 0 40 IKAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1c(C(=O)c2ccc(C)cc2)oc2ccccc12 3655586 XRNHULYSLNTAQO-HXUWFJFHSA-N 431.463 5.907 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 4903694 BLRZOYZZIRWJDB-NRFANRHFSA-N 425.532 5.253 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 6075442 WGKOCDIGXDADGW-UHFFFAOYSA-N 429.589 6.533 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1-c1cc2c(s1)-c1ccccc1CC2 8781769 WPWVXLQIDMEKGM-UHFFFAOYSA-N 438.021 6.738 0 40 IKAB CCc1ccc([C@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 8790899 KNHKMDWJHCJIQX-FQRUVTKNSA-N 438.527 5.438 0 40 IKAB biogenic Cc1cccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1C 8831904 IDOHCUAOPKXUSO-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1C 8857549 JAONASINMYZOSW-HNNXBMFYSA-N 433.573 6.437 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@@H](c1ccccc1)C1CCCC1 9019437 YXXGIIIVUXNKIL-IOWSJCHKSA-N 445.606 7.533 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(Cl)cccc3Cl)c2n1 9124959 DIVRNKDCQZDBRX-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccccc1)c1c(ncn3nc(-c4ccco4)nc13)O2 9158370 DDFFIXYMEKCZKS-OAQYLSRUSA-N 446.470 5.164 0 40 IKAB CC[C@@H](Sc1nc2ccccc2n1C(C)=O)C(=O)Nc1nc(-c2ccccc2)cs1 9191688 YHBQUAXVVHHDJE-LJQANCHMSA-N 436.562 5.329 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2-c2ccccc2)c1 9265033 PHKAFCHQTKLCSG-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Cl)c(Cl)c3)=NN12 9358495 ODJVINQUELVSDC-OAQYLSRUSA-N 430.379 5.739 0 40 IKAB COc1ccc(OCC(=O)Oc2cc(-c3ccc(Cl)cc3)c3oc(=O)sc3c2)cc1 9430737 JIMZNLBMHNDVAN-UHFFFAOYSA-N 442.876 5.168 0 40 IKAB CCOC(=O)Cc1csc(SCc2cc(F)cc3c2O[C@H](c2ccccc2)OC3)n1 9439712 MRAFIKGXCAKSIM-OAQYLSRUSA-N 445.537 5.288 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)c3cc(Cl)c(O)c(Cl)c3)cc2)cc1 9491850 HTTREBFODPOBGZ-UHFFFAOYSA-N 431.275 5.212 0 40 IKAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 9665648 OVYXLSBXNIHMIC-UHFFFAOYSA-N 435.380 5.317 0 40 IKAB COc1ccc(-c2cc([C@H]3CCCCCN3Cc3coc4ccccc4c3=O)no2)cc1 12185641 UPVGRCPIWRPIDW-HSZRJFAPSA-N 430.504 5.574 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)C4CCCCC4)n3)ccc21 12220031 DCTAGGCJEGNACA-UHFFFAOYSA-N 425.598 5.288 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4ccc(OC(F)(F)F)cc4s3)on2)cc1 12371026 PVPYIYZFJCMSMA-UHFFFAOYSA-N 435.383 5.111 0 40 IKAB Cc1ccccc1-c1noc(Cn2cnc3scc(-c4ccc(Cl)cc4)c3c2=O)n1 12760279 MJHVFVRIRXRBMT-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB CCOc1ccccc1NC(=O)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878245 KMTDIJDOKXQDRC-UHFFFAOYSA-N 442.972 5.216 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)Oc1ccc(-c3nnco3)cc1)oc1ccccc12 14354363 QHSOGLYEOGTXNE-CQSZACIVSA-N 429.432 5.051 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 15187292 XCXUTBFOVSBZMG-QFIPXVFZSA-N 430.533 5.138 0 40 IKAB Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1Cl 16449530 PAAWASLIGUGEJZ-UHFFFAOYSA-N 448.763 6.153 0 40 IKAB O=C(c1ccco1)c1noc(-c2cccc3ccccc23)c1S(=O)(=O)c1ccccc1 16491586 KPFRVFGPHQAHII-UHFFFAOYSA-N 429.453 5.152 0 40 IKAB CCOc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC 16688363 TXCYYJIWKFPRAV-SCUMNGBJSA-N 436.434 5.941 0 40 IKAB Cc1ccccc1CSc1nnc(NC(=O)[C@H](C)Oc2cc(C(C)C)ccc2C)s1 16742501 RBAPISDQYXUIDH-KRWDZBQOSA-N 441.622 5.977 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)oc2cc1C 17097847 NMIPVVBTBAUZEU-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB O=C(Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1)c1c(F)c(F)c(F)c(F)c1F 17102762 LBXQEYORMGDLMR-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB Cc1cccc(-c2nc(CSc3nc(=O)c4c(C)cc(C)nc4n3C3CC3)c(C)o2)c1 20417566 IJAYMYFBFYGNAN-UHFFFAOYSA-N 432.549 5.307 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4cc(C)ccc4C(C)C)cc3n2)cc1 20610217 HRKOCQQGGNNQMT-UHFFFAOYSA-N 428.536 5.432 0 40 IKAB CCSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCN(CC1CCCCC1)C3 20814044 ZMTUZZXXLQSFBI-UHFFFAOYSA-N 445.698 6.014 0 40 IKAB CCn1cc(C(=O)N2CCC(Cc3ccccc3)CC2)c(=O)c2cc(C(F)(F)F)ccc21 22236886 ALMXEHBPUNCHHW-UHFFFAOYSA-N 442.481 5.135 0 40 IKAB O=C(COc1ccccc1[N+](=O)[O-])Nc1ccc(Oc2ccc(Br)cc2)cc1 24060801 JSTUXEHKOVNFAC-UHFFFAOYSA-N 443.253 5.167 0 40 IKAB COc1cc2cc(C(=O)Nc3cccc(Cl)c3)cc(-c3ccc(C)cc3)c2cc1OC 27016694 NOCDNVIFGVFFRI-UHFFFAOYSA-N 431.919 6.738 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)Nc3nonc3-c3ccc(Br)cc3)oc2c1 27582968 USSDWKPPNPYTFY-UHFFFAOYSA-N 426.270 5.423 0 40 IKAB COc1ccc([C@@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC 30859278 YHAVWNZNCCOBSN-GOSISDBHSA-N 437.561 5.366 0 40 IKAB Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2ccc(F)cc2)no1 31815904 INTNGWFXVBMGBY-UHFFFAOYSA-N 447.451 5.215 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)cc1 32116427 QPZIIOPIDGWCQV-SNVBAGLBSA-N 443.135 5.347 0 40 IKAB CCCCc1nnc(NC(=O)c2ccc(-c3cc(C(F)(F)F)ccc3Cl)o2)s1 32502381 HITFHMLZIJIIOW-UHFFFAOYSA-N 429.851 6.065 0 40 IKAB O=C(Nc1ccccc1-c1nc(-c2ccc(Cl)cc2)no1)c1ccc(Br)o1 32623596 LEHNKKAYMAJMLQ-UHFFFAOYSA-N 444.672 5.665 0 40 IKAB COc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1 33756466 RKRNATWYGBUMOY-NDENLUEZSA-N 442.899 5.515 0 40 IKAB Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@@H]3CCC[C@@H]32)cc1 36377921 QZEOZXJABDDEGH-IZEXYCQBSA-N 427.591 8.372 0 40 IKAB in-vitro Cc1nc(NC(=O)C[C@H]2CCCCO2)sc1-c1csc(Nc2ccccc2F)n1 40556463 RBNXMTOJIHRGBJ-CYBMUJFWSA-N 432.546 5.355 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(C)cc2)cc1 44086468 WJGCZHSMAFMCTP-UHFFFAOYSA-N 443.572 5.896 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21 55184968 JCMRXPLXUHWJKN-CEWHCAETSA-N 436.599 6.622 0 40 IKAB 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@@]43C)OCN2C1 70691806 GRMUAQMHJKQVFL-IIGAACAISA-N 427.673 5.629 0 40 IKAB biogenic CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214468 JGGZGBVOVIXAOY-FQEVSTJZSA-N 425.529 5.317 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)c1ccc(OC(F)(F)F)cc1 77200747 SOCNZVPSDFWGCF-UHFFFAOYSA-N 432.423 5.102 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96037893 AJDUQZODYAMKFX-UHFFFAOYSA-N 431.904 6.524 0 40 IKAB COC(=O)c1ccc(COc2ccc3occ(-c4cc(OC)c(OC)c(OC)c4)c3c2)o1 96222186 XQAOJZCWUDELQM-UHFFFAOYSA-N 438.432 5.084 0 40 IKAB biogenic O=S(=O)(Nc1ccccc1C(F)(F)F)c1ccc(Br)c(C(F)(F)F)c1 98072834 WXJVJLVWNWZJIH-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C1=O 100521131 MNDJWAKEJGFTBX-JQOLTRQRSA-N 427.931 5.891 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1cc2ccccc2o1 101189191 SNISDMLPXJRLLM-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3c[nH]c4ccc(Br)cc34)C2=O)c1 106707563 JWVXSKFLCOZMJC-LSCVHKIXSA-N 427.323 5.475 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1cnc(NC(C)=O)s1 169811575 BYHZPVZFUMGIIF-UHFFFAOYSA-N 431.234 5.158 0 40 IKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cccc2ccccc12 215741032 NNONHSPCPCTYFX-LTGZKZEYSA-N 427.891 5.549 0 40 IKAB CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O 220575303 FTKVHVVHEXMUDV-AUSIDOKSSA-N 444.641 5.023 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)N1CCCCCC1 222688424 ZWQCZIBXPATYPZ-UHFFFAOYSA-N 431.001 5.867 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222848714 IPDLSFLSEYSCRO-VQTJNVASSA-N 432.376 6.029 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222885580 ICOQQJBJTUORAM-UXHICEINSA-N 430.499 5.274 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 223269037 LDZQUHPQCVVJPY-OAQYLSRUSA-N 432.967 5.052 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 223341912 SWXLRPYWPRMTMO-BJKOFHAPSA-N 434.609 5.771 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 223610846 IKCAMOZXLVRQGE-HSZRJFAPSA-N 426.626 5.201 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NCC(C)C)c1 224145435 XKGCJUMYVJBHAB-LJQANCHMSA-N 447.044 5.071 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccccc1OC 224241818 ONZASDTUWJIYBY-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1ccc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224267555 YTJGRFDRQJFSGD-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224315484 MWVDXZONFVQSNH-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 224324904 WOGFTUAFYQNNCN-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3ccc(C)cc3C)c2)cc1 224339814 UVWSGIROSSXASR-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 224535284 OJCVLHVBXRNEGM-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)o1 224917797 YDLZSECYZIMSEC-RTBURBONSA-N 428.355 5.231 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225024437 PMBZOXRQBVQYTK-VWLOTQADSA-N 436.596 5.102 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225160315 IWZAZRWGJBGCMQ-RBUKOAKNSA-N 447.044 5.295 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 225357320 VRLOFJYFONZOJH-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1F 225552916 QGHBGFBCMUMAHG-XXBNENTESA-N 444.616 5.089 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)n2)cc1 225813051 LZBRYYXQXKTWGL-UHFFFAOYSA-N 445.906 5.501 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)[C@@H]3CC(=O)Nc4ccccc43)C2)n1 257289820 QAHWDNBPMOAHQT-AUSIDOKSSA-N 443.522 5.028 0 40 IKAB CCC(CC)C(=O)N1CCC(COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)CC1 257323967 WMPOYVSRFBYOSI-UHFFFAOYSA-N 449.035 5.166 0 40 IKAB O=C(CC1CCCCC1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 257336945 YQRWGROLYWYWJU-UHFFFAOYSA-N 444.541 6.368 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC(C)CC1 260816740 PKRHICKNWVQMJP-HCYSDIRSSA-N 430.633 5.501 0 40 IKAB O=C1NC(=O)/C(=C\c2cc(Cl)c(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)N1 409047144 MYPSKXCJVJWXLK-MKMNVTDBSA-N 432.090 5.060 0 40 IKAB O=C1S/C(=C/c2ccc3c(ccn3Cc3cccc(F)c3)c2)C(=O)N1c1ccccc1 409220941 ICPJLWDTIUVNAW-HZHRSRAPSA-N 428.488 6.070 0 40 IKAB Cc1cccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1C 409270577 QYUBXHHTTFKWRQ-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)NCCc4ccccc4Cl)sc3n2)c1 661245 HZLBRPDLEJGGQC-UHFFFAOYSA-N 437.952 5.180 0 40 IKAB O=C(c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCCc2ccccc21 865716 XMNKTNQDAGCBEM-KBXCAEBGSA-N 432.471 5.198 0 40 IKAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(OC)cc3)cs2)cc1 929099 KGKKASNASCZCHL-UHFFFAOYSA-N 430.529 5.674 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3cc(F)c(F)cc3Cl)cc2)C1 1158799 XJMUWCWXHCWODG-FYSMJZIKSA-N 446.925 5.911 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@H](c2cccs2)N2CCOCC2)cc1 1236182 LPRZUPVYUTVFNV-NRFANRHFSA-N 442.606 5.109 0 40 IKAB Cc1ccc2c(c1)[C@@H](c1ccccc1)N(C(=O)c1ccc(-c3ccccc3)cc1)CC(=O)N2 1509788 LPTBYMNSNVHQNO-MUUNZHRXSA-N 432.523 5.846 0 40 IKAB CCOc1cccc2cc(-c3nnc(Nc4ccc(Cl)cc4Cl)s3)c(=O)oc12 2063629 HDKCAVSWVSADKC-UHFFFAOYSA-N 434.304 5.761 0 40 IKAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(CC(C)C)cc3)nc3ccccc23)cc1 2105312 NFMASVHYCWZJNI-UHFFFAOYSA-N 438.527 6.139 0 40 IKAB CCn1c(SCC(=O)c2ccc(-c3ccccc3)cc2)nc2sc(C)c(C)c2c1=O 2195546 OZWWQQQTQHRZSF-UHFFFAOYSA-N 434.586 5.737 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccco2)cc1C 2358881 BHGCVSPDLZEJIY-UHFFFAOYSA-N 433.895 5.323 0 40 IKAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 2390784 LFJBJNCPKYFKCX-HZPDHXFCSA-N 447.025 5.797 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)cc1 2444264 VOUZRQKECBZOHM-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB Cc1ccc(OP(=O)(NC(c2ccccc2)c2ccccc2)Oc2ccc(C)cc2)cc1 3123421 ZUGYGVBHZPZJOP-UHFFFAOYSA-N 443.483 7.249 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1 3225251 GYUNJTQMRRNFQX-UHFFFAOYSA-N 439.147 5.818 0 40 IKAB C[C@H](Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)c1ccccc1 3265559 DCLRXALJJRZUGG-INIZCTEOSA-N 438.936 6.001 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1C 3284282 VNSSBUXZKWTTLO-UHFFFAOYSA-N 427.422 5.785 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3cccc(C(F)(F)F)c3)s2)nc2ccc(Cl)cc12 3434893 BHQAGGXIZPUFER-UHFFFAOYSA-N 433.838 7.001 0 40 IKAB O=C(NC(=S)Nc1ccccc1C(=O)O)c1ccc(-c2cc(Cl)ccc2Cl)o1 4107551 YREMWVTYMYRWLS-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 6301510 GBWPLAWWSRBXOE-LJQANCHMSA-N 445.588 5.376 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccc(Cl)cc2)cc1 6501575 KLLHNHJXASANQE-UHFFFAOYSA-N 445.950 5.676 0 40 IKAB CC(C)[C@H]1CC[C@H](C)c2c(-c3ccc4ccccc4c3)nn(C(=O)/C=C/c3ccccc3)c21 8442260 DKXAFVUPTBRPIK-WTLVGJOKSA-N 434.583 7.694 0 40 IKAB Cc1ccc(CNC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 8781795 VQEKUIYBQSXCEM-XNTDXEJSSA-N 436.349 5.666 0 40 IKAB COc1ccc(NC(=O)COc2ccc(/C=C/c3nc4ccccc4o3)cc2OC)cc1 8966310 XRAUBJRGMZWAHF-RIYZIHGNSA-N 430.460 5.033 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2ccccc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 9015199 DPMNEGULJGOWCD-UQBPGWFLSA-N 439.515 5.824 0 40 IKAB Cc1nc2cc(C(=O)OCC(=O)Nc3ccccc3C(C)C)ccc2n1-c1ccccc1 9125848 JALSLKHPPZJWLL-UHFFFAOYSA-N 427.504 5.253 0 40 IKAB COc1cc(-c2nnc(SCCSc3ccc(Cl)cc3)o2)cc(OC)c1OC 9128429 BYYWSZCJBPFWOH-UHFFFAOYSA-N 438.958 5.300 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 9159258 VIPGAIURSIAFSV-AZGAKELHSA-N 432.951 6.714 0 40 IKAB COc1ccc(/C=C/C2=NN(c3ccccc3)[C@@H](c3ccc(OC)c(OC)c3)C2)cc1OC 9411705 QJOKBYMXIDKURG-UQNNOOFXSA-N 444.531 5.742 0 40 IKAB CCOc1ccc(-n2c(SC[C@H]3CCCCO3)nnc2-c2c[nH]c3ccccc23)cc1 9507753 ILODYJBBIJAANR-LJQANCHMSA-N 434.565 5.476 0 40 IKAB CN(C)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2c(Cl)cccc2s1 9604027 RZCFHVAPKVQFKQ-UHFFFAOYSA-N 427.879 5.177 0 40 IKAB Cc1nc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)nn1-c1ccc(Cl)cc1 9835672 YWWZBZDJFKTFQF-LJQANCHMSA-N 440.981 5.140 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 10021534 WOYHKAGYIMSXER-JTSKRJEESA-N 447.608 5.311 0 40 IKAB Cc1nnc2sc(-c3cccc(NC(=O)COc4ccc(C5CCCCC5)cc4)c3)nn12 10059512 UQBMPYQLNPUEAW-UHFFFAOYSA-N 447.564 5.226 0 40 IKAB COc1cccc2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc12 10874102 AEOWROMYJBOPSI-SNVBAGLBSA-N 443.377 5.499 0 40 IKAB COc1ccc2oc(-c3csc(NC(=O)c4ccccc4Br)n3)cc2c1 10882411 XOFGHAPPBAFKGY-UHFFFAOYSA-N 429.295 5.580 0 40 IKAB Cc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 11867549 GCFYQZXFEMFIJF-UHFFFAOYSA-N 431.532 5.621 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN(C)Cc1sccc1C 12585494 CQEWHNRQXQXWFL-UHFFFAOYSA-N 428.579 5.032 0 40 IKAB COc1cc(C(=O)Oc2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)cc(OC)c1OC 12740491 FHMCRWYFCOMWRZ-UHFFFAOYSA-N 449.381 5.138 0 40 IKAB Cc1cc(C(=O)COC(=O)C2c3ccccc3Oc3ccccc32)c(C)n1-c1nccs1 13017482 OVDZRASLNFUPIA-UHFFFAOYSA-N 444.512 5.214 0 40 IKAB O=c1[nH]c(SCc2c(F)c(F)c(F)c(F)c2F)nc2scc(-c3ccccc3)c12 13097297 YYRFMGNZLKOQKN-UHFFFAOYSA-N 440.418 5.639 0 40 IKAB CCC[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 13522578 YWZHGNCEADQRSG-RUZDIDTESA-N 439.603 6.653 0 40 IKAB O=c1c2cnn(-c3ccccc3)c2nc(-c2ccc(Cl)cc2)n1-c1cccc(Cl)c1 13942326 BREBHAMOAQDITI-UHFFFAOYSA-N 433.298 5.545 0 40 IKAB C[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)/C=C/c4ccco4)c2)N3)C1 15947577 HKTNYGMIOSCSDY-NMEBWFKWSA-N 434.517 5.514 0 40 IKAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 15975129 JGSRVEJWRTVZMR-IAQYHMDHSA-N 429.945 5.766 0 40 IKAB Cc1cc(C(F)(F)F)c2c(C3CCN(C(=O)[C@H](C)Cc4cccs4)CC3)noc2n1 19568975 JJALWXKWWGAVJW-GFCCVEGCSA-N 437.487 5.196 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)ccc21 20040334 KKQYSFJZMNSIRK-UHFFFAOYSA-N 447.560 5.050 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20151671 ZFSULVGFXDLBPN-UHFFFAOYSA-N 442.968 5.517 0 40 IKAB Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)no1 21356708 UHJSONUJALJVSC-CQSZACIVSA-N 445.928 5.128 0 40 IKAB C[C@@H](Oc1ccccc1)c1nc2ccccc2n1C[C@@H](O)COCc1ccccc1Cl 24060505 PCLFJPKCJCFBOK-UYAOXDASSA-N 436.939 5.407 0 40 IKAB CCCOc1ccc2ccccc2c1CN(C)C(=O)Cc1nc(-c2cccs2)oc1C 24468912 RFEHRJIBILDLMQ-UHFFFAOYSA-N 434.561 5.855 0 40 IKAB COc1cccc(-c2nc(C(=O)N[C@H](C)c3ccccc3Br)cs2)c1OC 24758938 ZTUNUAHQUBUSMU-GFCCVEGCSA-N 447.354 5.081 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)C3CCN(C(=O)C(C)(C)C)CC3)nc12 24929345 KPMAGQZVDYGQLT-UHFFFAOYSA-N 449.620 5.423 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccccc3c2=O)c1 27525929 LRGWAEUZFUFEQY-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB Cc1cccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)c1 28293313 HNOQNLWQPFITJX-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 32109338 FUEULPUHGOBSBX-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(COc3ccc(C(C)(C)C)cc3)o2)cc1 32940019 ABFDUMVAIUXABN-UHFFFAOYSA-N 439.581 5.800 0 40 IKAB COC(=O)c1ccc2[nH]c(C[C@@H]3C[C@@H](C(C)C)[C@H](CNC4CCCCC4)C=C3C)nc2c1 72321000 DSGTTYVEKTZFJR-FUDKSRODSA-N 437.628 5.669 0 40 IKAB biogenic,in-vitro Cc1nc2ccc(C(=O)N3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cc2s1 72374156 ZVUJFTQJQHCKBY-OAQYLSRUSA-N 445.563 5.749 0 40 IKAB Brc1cccc(-c2cc(-c3ccccc3)c3cc(Br)ccc3n2)c1 79068564 ZHTBCUNYVCJFJV-UHFFFAOYSA-N 439.150 7.094 0 40 IKAB COc1cccc(-n2cc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)c1 96324282 KBUXDPKSJDLAGM-UHFFFAOYSA-N 441.512 5.438 0 40 IKAB COC(=O)c1ccc(-c2ccc(C[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)N=C3C)o2)cc1 100165199 FQLUGRFPHSTEQB-HXUWFJFHSA-N 436.895 5.276 0 40 IKAB CC(C)[C@@H](C)[C@@H](O)[C@H](O)[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC(=O)[C@H]4CC=CC[C@]4(C)[C@H]3CC[C@@]21C 118918245 MJVCJGGOYKSADY-OKGIPSMLSA-N 430.673 5.640 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 216394490 KHHVOESQXTUGAL-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB C[C@@H]1CCCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 216839388 NPYSVZZOKJPIKE-CQSZACIVSA-N 432.305 5.331 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220703742 POQICPMQIWYSGM-GOSISDBHSA-N 443.396 5.102 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222918189 PGXOKZONSATEJQ-SFHVURJKSA-N 429.004 5.124 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 223141094 FGPNUEWZFRPPBB-CABCVRRESA-N 439.358 5.007 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223746389 TWGSLCZOCBPHCV-QFIPXVFZSA-N 432.967 5.054 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 224594384 QZEKRCAVCXJHAM-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 224594431 QZEKRCAVCXJHAM-XMMPIXPASA-N 440.653 5.116 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cccc(C(F)(F)F)c1 224877547 MBAQTRRMLFILOI-UHFFFAOYSA-N 439.231 5.694 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C2CCCC2)c1 224884838 GCLHXAXITOXGPV-VXKWHMMOSA-N 438.984 5.534 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)COc2ccc(Br)c(C)c2)c2ccccc2O1 225028265 ZLKBUIFJQMEXNX-LJQANCHMSA-N 432.358 5.335 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225477216 GMDUPRLVKLJMIW-OFVILXPXSA-N 436.640 5.639 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225523160 DCCABHGLFCZDNW-CUNXSJBXSA-N 444.619 5.803 0 40 IKAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534393 ZNYUPJLFAQHRGR-GOTSBHOMSA-N 434.624 5.884 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCCCCC1 225659829 XRRCQOMIMJVNFR-QFIPXVFZSA-N 430.633 5.788 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCc2nc(-c3ccc(Cl)cc3)no2)ccc1Cl 225820643 WSEMXRMZLXILBD-UHFFFAOYSA-N 447.269 5.549 0 40 IKAB Nc1cc(-c2nc3cc(Br)cc(Br)c3[nH]2)ccc1Br 226343839 JSRIRYKYXMTNEI-UHFFFAOYSA-N 445.940 5.100 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)on2)cc1 257298015 RJTSNPFUQMKVFK-JOCHJYFZSA-N 447.466 5.045 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408604185 UFFUULFOCWJPLQ-WQRHYEAKSA-N 432.339 5.725 0 40 IKAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408623595 SCLRFUGVVJEQGU-UHFFFAOYSA-N 440.886 5.323 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(OC)cc3)cc2)cc1OC 408625708 XWKCORZKIDDISQ-UHFFFAOYSA-N 441.911 6.191 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1C 408645462 UVQXNYJLKDVYGB-NRFANRHFSA-N 428.532 5.704 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408652749 IDVDGDBCFJTTLO-HTTCZQSWSA-N 448.349 5.341 0 40 IKAB CC(C)(C)c1ccc(C(=O)CCC(=O)Nc2ccc(I)cc2)cc1 408828631 NHORXQMULVHWCM-UHFFFAOYSA-N 435.305 5.190 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCc2cccc3ccccc23)o1 409016692 RIPWDZQQVQXBGN-CYBMUJFWSA-N 431.344 6.962 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2ccccc2)cc1 409119139 RLJPCPDEAFJKOA-UHFFFAOYSA-N 432.524 5.367 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccc(Cl)cc3Cl)c12 409141120 UFAOTUFBERQIND-LSCVHKIXSA-N 431.344 5.883 0 40 IKAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1OCc1ccccc1Cl 409375603 MYQYXJKJWPIVEM-NRFANRHFSA-N 440.952 5.687 0 40 IKAB CCOC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Br)cc3)nc2c1Cl 845259 URJVSBCGACFFKA-UHFFFAOYSA-N 448.626 5.008 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccccc3F)cc12 1448006 UTCQYLLZNGMSCP-UHFFFAOYSA-N 434.419 5.643 0 40 IKAB biogenic Cc1cc(Cl)ccc1NC1=NC(=O)[C@@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1 1622803 VKYDQDGPOZKLFN-OAHLLOKOSA-N 442.755 5.394 0 40 IKAB CCOC(=O)c1c(C)n(C2CCCCC2)c2ccc(OC(=O)COc3ccccc3)cc12 1751949 SWMSVCMYUQWKPM-UHFFFAOYSA-N 435.520 5.616 0 40 IKAB Cc1ccc(OCC(=O)Oc2ccc(C(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1C 1916529 FTQMYSOZRROBQO-UHFFFAOYSA-N 444.314 5.847 0 40 IKAB CCCCOC(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C(F)(F)F)oc2c1 2119115 JFYBSQMGTNADNR-UHFFFAOYSA-N 436.382 5.326 0 40 IKAB biogenic Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)CN1CCCCCC1 2182535 LLWPDFYUYHVKRQ-AREMUKBSSA-N 438.615 6.521 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccccc4Cl)c23)CO1 2214430 RTPNNUBIVCBRGN-FQEVSTJZSA-N 437.055 6.600 0 40 IKAB Clc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccccc3)c3ccccc23)cc1 2291283 YXESCPALATVLEF-UHFFFAOYSA-N 447.929 7.033 0 40 IKAB CCCc1nc2sc3c(SCc4ccc(OC)cc4)ncnc3c2c2c1CCCC2 2331293 WKQITLHWQMFJNV-UHFFFAOYSA-N 435.618 6.372 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)o2)cc1 2407293 HDMJGKSUYUQOHO-UHFFFAOYSA-N 433.533 5.138 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 2448397 RWPFNJVREYKPNC-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCOc1ccc(C(=O)Nc2scc(-c3ccc(OCC)cc3)c2C(=O)OC)cc1 2762382 IMGQNTDSQYXBAO-UHFFFAOYSA-N 425.506 5.251 0 40 IKAB Cc1nc(CSc2ccc(Cl)cc2)cc(Sc2ccc(Cl)cc2Cl)n1 3105884 IGUVGYIPIQUZMR-UHFFFAOYSA-N 427.809 7.189 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 3304070 NBOUCPQEGMTLLM-UHFFFAOYSA-N 439.515 5.206 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Oc1ccc2c3c(c(=O)oc2c1)CCC3 3397894 JHPJXMSZHKFHAX-UHFFFAOYSA-N 448.906 5.016 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccc(C(C)C)cc2)N2C(=O)CCSC2=N1 3636400 RVEAHITWNCGAEX-QHCPKHFHSA-N 434.561 5.204 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c4ccccc4)CC[C@H]32)C1 3881927 MCVIVMYFDOKJSH-SHZAEMQRSA-N 438.608 6.186 0 40 IKAB biogenic Cc1cccc(C)c1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 8710293 MGFLUCBGEIUALH-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828294 GQKFENQCMSOLDE-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB Cc1cccc(NC(=O)Cc2csc(SCC(=O)Nc3ccc(Cl)cc3)n2)c1 8852436 JCHZLBNCDYIGIR-UHFFFAOYSA-N 431.970 5.017 0 40 IKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 9233115 DTGMVSXFGMJIJB-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB CCCC[C@@H](NC(=O)CCCCCCCCN1C(=O)c2ccccc2C1=O)c1ccccc1 9369617 PTXCWZMHSFJQOQ-RUZDIDTESA-N 448.607 6.061 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc5c(c4)OCCO5)c23)cc1 9460791 NBRBIXOPIDDUSR-UHFFFAOYSA-N 449.557 5.169 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 9498857 YVIPTEGKNQGUAA-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C(c1ccccc1)c1ccccc1 9647142 RUAJVCGHQIDTSS-UHFFFAOYSA-N 434.590 5.151 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 9780929 RRBJRSVJBNKOIJ-WCQYABFASA-N 445.228 5.696 0 40 IKAB CCCS(=O)(=O)c1c(Nc2ccccc2C)sc(C(=O)c2ccc(C)cc2)c1N 9824781 HPIDIENDHAFAMK-UHFFFAOYSA-N 428.579 5.105 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)o1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9911644 MZZKBHUQTFHXGB-OLZOCXBDSA-N 436.364 5.325 0 40 IKAB O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)Nc1cccc(F)c1 9972179 NEOBNYUSSOYSDO-UHFFFAOYSA-N 438.911 5.718 0 40 IKAB O=C(C[C@H]1C=CCC1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1 11325572 BOLBPWPJAJKSOU-ZDUSSCGKSA-N 425.337 5.089 0 40 IKAB COc1ccc(-c2coc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 11865226 QEEFXXIAFYHLGA-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C1=Cc2ccccc2OC=C1 12274543 RRYGRAQOIFOQOH-UHFFFAOYSA-N 431.513 5.828 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1OCc1ccc(F)cc1)c1ccc(Cl)cc1 12560377 NILMCKLMEKTDHK-QHCPKHFHSA-N 449.913 5.311 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCc3csc(-c4ccccc4)n3)cc12 12650098 SHVSHGPMZATJKI-UHFFFAOYSA-N 431.542 5.876 0 40 IKAB CC[C@H](COC(=O)c1ccccc1C(F)(F)F)NC(=O)c1ccccc1C(F)(F)F 12797801 FPSXHPDAHHWEQI-GFCCVEGCSA-N 433.348 5.090 0 40 IKAB Cc1cc(C)cc(NC(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 12878219 CWKIOKIAYIVGHM-UHFFFAOYSA-N 426.973 5.434 0 40 IKAB Cn1c(CSc2nc3ccccc3s2)nn(CN2CC[C@H]3CCCC[C@@H]3C2)c1=S 13097677 KEKJUJKNCITDAD-HZPDHXFCSA-N 445.683 5.323 0 40 IKAB CCOc1cc(NC(=S)Nc2cccc(C)c2)c(OCC)cc1NC(=O)CC(C)C 13477599 SMSFAPIETRMJBD-UHFFFAOYSA-N 429.586 5.586 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@H]1CCC[C@H]1CN3C[C@H]1CCC[C@H]21 15162704 JCMRXPLXUHWJKN-DDOAZUFRSA-N 436.599 6.622 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)CSC(c2ccccc2)c2ccccc2)cc1 16000792 ONIBXVQSMPYJDU-UHFFFAOYSA-N 432.589 5.630 0 40 IKAB CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccc(-c2ccc(Cl)cc2)o1 16058719 HZHJESMFCZXUJS-UHFFFAOYSA-N 436.817 5.330 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)c1 16291117 XBYONTBLUDFWED-UHFFFAOYSA-N 433.986 5.274 0 40 IKAB C[C@@H](NC(=O)CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc2c(c1)OCO2 16680265 CTZMJTIIBNUJRQ-CQSZACIVSA-N 449.557 5.057 0 40 IKAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 16688467 PAQJSYZVJLZYPY-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB COc1cccc(-c2nn(-c3cccc(Cl)c3)c(-c3cccc(OC)c3)c2Cl)c1 17094298 SYVQNUAVOLHRNN-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2ccccc2)cc1 17095707 CPUALWMQTCKZKF-UHFFFAOYSA-N 428.315 6.017 0 40 IKAB O=C(C1CCCC1)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294075 YXSSGIFMETVLNE-FQEVSTJZSA-N 445.542 5.318 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1Cl 20142554 SPDWVMTWYFRZHQ-UHFFFAOYSA-N 426.683 5.660 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)c1 20152688 APSXPBVYVBWGAG-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2c1 20411426 SQQPOVHDDJBMSI-UHFFFAOYSA-N 430.529 6.173 0 40 IKAB COc1ccc([C@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797421 DNWLRSWAHGVDHK-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB O=c1c2c(-c3ccc(Cl)cc3)csc2ncn1Cc1coc(-c2cccc(F)c2)n1 26005154 GWYBTIADRVVVBR-UHFFFAOYSA-N 437.883 5.621 0 40 IKAB CC(C)n1ncc2cc(NC(=O)c3ccccc3CSc3nc4ccccc4o3)cnc21 32845042 ZWTCXADHSCIQBU-UHFFFAOYSA-N 443.532 5.698 0 40 IKAB C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 34896155 MZIWRSXHNVMYEY-BUORGSTGSA-N 439.650 5.665 0 40 IKAB CCc1ccc(-c2nc3c(-c4ccc(Cl)cc4)c(COC)nn3c3c2CCCC3)cc1 35325885 NIUIAXAKQYTBHS-UHFFFAOYSA-N 431.967 6.304 0 40 IKAB Cc1cc(C(=O)Nc2c(Cl)cccc2Cl)c2c(C)nn(Cc3ccccc3)c2n1 36616509 JEZJJIQIKVFMCK-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB CCCCCCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2)=C(C)Nc2ncnn21 39427736 FYWVDSRKUZVQAT-HSZRJFAPSA-N 431.540 5.165 0 40 IKAB Cc1ccccc1C(=O)N(CCN1C(=O)c2ccccc2C1=O)c1cccc2ccccc12 59461517 TVGLKDSNMMQDLL-UHFFFAOYSA-N 434.495 5.091 0 40 IKAB COc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177518 ZADJJCYGSUGDSK-CYBMUJFWSA-N 446.935 5.418 0 40 IKAB O=C(CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1Cc1nc(-c2ccco2)no1 96357679 IWNWIDAWEFPECE-UHFFFAOYSA-N 435.867 5.175 0 40 IKAB O=C(CCc1ccccc1)NC[C@H]1CC[C@H](c2ncc(Cl)cc2-c2ccncc2)CC1 100729258 WAAMDYIUOROSCB-GRGXKFILSA-N 433.983 5.820 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 101012085 LIEWMCGEEMYSGL-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB CC[C@H](NC(=O)COc1ccc2ccccc2c1Br)c1ccc(C)c(C)c1 218907605 YTNGBHQKLGDUFM-FQEVSTJZSA-N 426.354 5.865 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 219678811 JCIMOWMULQAGEQ-AWEZNQCLSA-N 446.728 6.301 0 40 IKAB CC(C)C[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1 222538186 YMELRRJROIXIIW-XMMPIXPASA-N 436.577 5.029 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 222942870 IRSOFOLLBWUMSP-IBGZPJMESA-N 448.588 5.166 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H](CC)c2ccc3c(c2)CCCC3)c(Br)c1 223081871 IDHRLDHQEVWIHX-NRFANRHFSA-N 430.386 5.537 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 223792251 KLUQJBOUYWBOIY-ZEQRLZLVSA-N 444.560 5.100 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 223826109 RDYQZMTVSCQXCB-LJQANCHMSA-N 443.031 5.514 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1CSc1ccccc1 224326724 JNVVOOBZFSWSME-UHFFFAOYSA-N 441.552 7.032 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 224363456 VRFVULCKIQAHKV-RPBOFIJWSA-N 430.621 6.299 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224841351 VLJJEXSJFQWTNI-LJQANCHMSA-N 429.004 5.340 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225749148 MDARGYDNJSGPDS-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CCCN1C(C)=NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Oc3ccccc3)ccc21 225866905 NHQVBLXBYOVSAZ-UHFFFAOYSA-N 449.532 5.068 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 253609607 NJICGAVMYWKCMW-BWPNZBDMSA-N 442.728 7.738 0 40 IKAB biogenic COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3c(C)cccc3[nH]2)o1 257212413 CDHLIPQFAWORRE-HSZRJFAPSA-N 429.520 5.431 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC(c2ccc(-c3cccc(C(N)=O)c3)cn2)CC1 257312550 UOMIKOHVEKWKBT-UHFFFAOYSA-N 442.538 5.156 0 40 IKAB O=C(Nc1cccc(C(=O)N2[C@@H](c3ccccc3)[C@@H]2C(=O)c2ccccc2)c1)c1ccccc1 408683959 NVTAUHNGCCJDNZ-ACKJMCFBSA-N 446.506 5.388 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C(C)C)C2=O)ccc1OCc1cccc2ccccc12 409060281 PEAPBULCUZACPJ-IWIPYMOSSA-N 447.556 6.262 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(I)c1OCC 409116184 UJMXUNJQKWNPGP-UHFFFAOYSA-N 425.310 5.263 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccc(F)cc2)c(Br)c1 409120146 RYJFQUCMLSZFCR-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1cc(-c2ccc(/C=C3\NC(=S)N(c4ccccc4)C3=O)o2)ccc1Br 409139353 ALCJSFLGNGXRDA-PDGQHHTCSA-N 439.334 5.280 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1C 409176156 IXDTTWZIRQRXCU-UHFFFAOYSA-N 436.338 7.182 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(c4cccc(Cl)c4)C3=O)cc2)c1 409212601 QVVVDKBWIAKZGB-LPYMAVHISA-N 435.932 6.468 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409346660 LUNCJLCSVHDDKE-UHFFFAOYSA-N 426.929 5.175 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@H]21)c1ccccc1 409369495 PDEBELLZCKZYDC-IMAQQZIHSA-N 443.852 5.754 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Nc4ccc(OC)cc4)cc(C)n3)C2)cc1 585169165 LGDPWEFXTDDUKT-QFIPXVFZSA-N 445.563 5.308 0 40 IKAB CCN(CC)CCOc1ccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)cc1 585292340 KUVIVORRQZDOQQ-HRNNMHKYSA-N 430.032 6.578 0 40 IKAB CCOc1ccc(CN2CCCCCOc3ccc(C)cc3Cc3cccc(c3)C2)cc1 643580228 RMEKHWJULREXED-UHFFFAOYSA-N 429.604 6.549 0 40 IKAB CCN1CCCCCCN(C(=O)CC(C)C)[C@@H](CC(C)C)COc2ccccc2C1=O 643582919 QJJPFFJSUOSQLW-QFIPXVFZSA-N 430.633 5.391 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(N3CCC(Oc4ccccc4F)CC3)CC2)cc1 1565523812 XBMJQGOZYAXULQ-UHFFFAOYSA-N 438.587 5.271 0 40 IKAB Cc1sc2nc(C(F)(F)F)nc(NCC(C)(C)N3CCc4ccccc4C3)c2c1C 1615566490 CZPUOUZUQSUVOI-UHFFFAOYSA-N 434.531 5.576 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1C 660543 BWBVHYHUBNRPPR-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC(C)C)cc1 674432 VBUWPUVFZHSCHR-IAGOWNOFSA-N 429.538 5.118 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1 677331 WYBNEPZYVNZGEM-UHFFFAOYSA-N 447.709 5.398 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1C 874517 ZPCBNEBAAJHAAQ-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB CC(C)c1nc(SCC(=O)N2CCc3ccccc32)c2c3c(sc2n1)C[C@@H](C)CC3 1375677 HSENPXKXPVMUEM-HNNXBMFYSA-N 437.634 5.621 0 40 IKAB CCN(CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(OC)cc1 1712671 WNOPQOBBHZSJKO-HXUWFJFHSA-N 426.004 6.133 0 40 IKAB CCOc1ccc([C@H](CCc2ccccc2)NC(=O)c2ccccc2OC)cc1OCC 2127269 PEEADTLHEYJNQS-QHCPKHFHSA-N 433.548 5.597 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc4ccccc4c3)nnc2-c2ccccc2)cc1 2128658 HVMLHYIYTZLRGC-UHFFFAOYSA-N 437.568 6.779 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1 2194917 OFZAWMYGLPSOJC-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic Cc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(-c4ccccc4)c3c2N)c(C)c1 2196719 NZYAJRFYJAWUAG-UHFFFAOYSA-N 434.564 7.060 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)c1ccc(Br)cc1 2644697 OIXCJSWGTDLTJP-ZDUSSCGKSA-N 428.355 5.271 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccccc2Cc2ccccc2)ccc1Br 3216359 GQDLVGZUTODRBT-UHFFFAOYSA-N 438.321 5.144 0 40 IKAB O=C(Nc1nncs1)c1cc(-c2ccc(Cl)c(Cl)c2Cl)nc2ccccc12 3306288 VRXZFUGAQCLJKC-UHFFFAOYSA-N 435.723 5.966 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)c2ccc(F)cc2)nnc1-c1cccnc1 3346147 FYFLSTBOMCFVGW-UHFFFAOYSA-N 432.524 5.567 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(-n5nc(C)cc5C)cc4)cc3)sc2c1 3428738 SHXHUJSBKVQHNF-UHFFFAOYSA-N 438.556 6.327 0 40 IKAB COc1ccc(OC)c(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c1 3457296 OGOIJPBKCIMZJY-UHFFFAOYSA-N 449.507 5.184 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)cc1 3655444 FCKHGAPKNLIMQF-UHFFFAOYSA-N 441.527 6.794 0 40 IKAB COc1ccc(C2=NN(c3ccc(C(C)(C)C)cc3)[C@H](c3ccc(SC)cc3)C2)cc1 4118590 VATPOSKYCHJWHO-SANMLTNESA-N 430.617 7.070 0 40 IKAB CC(C)c1ccc([C@@H]2SCC(=O)N2c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 4556353 LIODOMVPIALZOX-LOOMMHCVSA-N 431.645 7.056 0 40 IKAB CCOc1cc(C=C(C#N)S(=O)(=O)c2ccccc2)ccc1OCc1ccccc1F 6133071 XQVYXBOWCPXPPT-UHFFFAOYSA-N 437.492 5.142 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)NCCc3ccccc3)C3CCCCC3)cc2c1 6197678 XGNPWRUVPBTYIW-UHFFFAOYSA-N 447.648 5.342 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@H](C(C)(C)C)C3 8432054 ACCXCBLWUJXEIW-HNNXBMFYSA-N 442.650 6.109 0 40 IKAB COc1cccc(-n2c(SCc3ccc(F)cc3)nc3c([nH]c4ccccc43)c2=O)c1 8601082 YGZIHDIAAWKCTD-UHFFFAOYSA-N 431.492 5.307 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(Cl)cc3)CC2=O)c(C)c1 8752802 GNSWCLLIYCMDJE-FQEVSTJZSA-N 429.951 5.875 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)C[C@H](C)CC4)cc1 8765737 ZYWORNFNBSXOGS-MRXNPFEDSA-N 435.545 5.910 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904106 PWWLTDZDYUPBPH-BMRADRMJSA-N 433.479 6.227 0 40 IKAB O=C(Nc1ccc2c(c1)CCC(=O)N2Cc1ccccc1)c1ccc(Br)cc1 9136279 OBAOTSJLNVQJGG-UHFFFAOYSA-N 435.321 5.181 0 40 IKAB CCCCc1ccc(NC(=O)CSc2cn(Cc3cccc(F)c3)c3ccccc23)cc1 9394352 SMLXHAYXEJJYFY-UHFFFAOYSA-N 446.591 6.902 0 40 IKAB COc1ccc([C@H]2CCCCCN2Cc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1 9516821 PIVTVJYJGDLDEM-XMMPIXPASA-N 449.620 5.759 0 40 IKAB COc1ccc2cc(C(=O)Nc3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)ccc2c1 9672298 BQWKCMZQBXEWHQ-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccc(C)cc3)n[nH]2)c2ccccc2)c1 10218264 SLVUVBFNQXLRSZ-JOCHJYFZSA-N 442.544 5.455 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1 10328955 TYPHHGSIKCEMKK-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccc1SCc1ccccc1 10331589 MWGHRFHYLDRXDI-UHFFFAOYSA-N 428.022 6.296 0 40 IKAB CSc1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3c(Cl)cccc3s2)cc1 10872807 VXOYVFAIXWYPGF-HNNXBMFYSA-N 432.998 5.426 0 40 IKAB CCCn1c(SCc2cc(=O)n3ccc(C)cc3n2)nc2ccc(C(F)(F)F)cc21 11021847 MIFROTPYCWLFSZ-UHFFFAOYSA-N 432.471 5.074 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@H]1c1ccc(OC)cc1OC 11455105 XSBFOWUFNZKBFC-NRFANRHFSA-N 430.976 5.258 0 40 IKAB CCCc1cc2c3c(c(=O)oc2c(-c2cc(-c4ccc(OC)cc4)on2)c1O)CCCC3 11866524 VOYRFIMGRYRNJP-UHFFFAOYSA-N 431.488 5.661 0 40 IKAB COc1ccc(C[C@@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@@H]23)CCCC5)cc1 11866656 XCUAPPLVYNFZIA-ZJSXRUAMSA-N 430.573 5.052 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12195785 VCWMZPNFXLNGTM-LADGPHEKSA-N 448.906 5.378 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3ccc(C)o3)C[C@H]21 12196271 FJGWBBGQOFPIDQ-KBMIEXCESA-N 434.492 5.246 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CCCCC2)n1Cc1ccccc1 12494191 WZTQOHPSFLYZTL-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB COc1ccc(OCCSc2nnc(-c3ccccc3F)n2CCc2ccccc2)cc1 12619383 HBCLCYCIFDHCHZ-UHFFFAOYSA-N 449.551 5.507 0 40 IKAB CCOc1ccccc1/C=C/C(=O)N(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 12856941 USJQQFCUMORJJG-APOCOGJHSA-N 442.559 5.847 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 12858115 PHWGXFWBBUOPSR-SNVBAGLBSA-N 437.462 5.804 0 40 IKAB COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 13026866 KWXALXYSWKQGDZ-VWLOTQADSA-N 446.547 5.039 0 40 IKAB COc1cc(C)c(NC(=O)c2cc3c(C)nn(Cc4ccc(C)cc4)c3s2)cc1OC 13112226 WRRMWQWNNKIDRC-UHFFFAOYSA-N 435.549 5.341 0 40 IKAB Cc1cccc2c(SCC(=O)Nc3cccc(Cl)c3)nc(-c3ccc(F)cc3)nc12 13388727 PCBAWMHSCRHKLA-UHFFFAOYSA-N 437.927 6.129 0 40 IKAB Cc1ccc2cc(CN(C3CCCC3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c2c1 13498515 JCZWISKIPZMNGV-DEOSSOPVSA-N 448.615 5.080 0 40 IKAB Cc1cc(I)ccc1NC(=O)[C@H](C)Oc1ccc2ccccc2c1 13708487 LRFZTUMDABVEAC-AWEZNQCLSA-N 431.273 5.159 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3cccc(F)c3)nc2c1 14272602 KVRKLDYIGYMJOU-UHFFFAOYSA-N 444.506 6.699 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 14272919 PWBSTELFZUPPBB-UHFFFAOYSA-N 442.309 5.430 0 40 IKAB O=C1C[C@@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085101 UZXXYCCIQCUYAP-NRFANRHFSA-N 428.467 5.346 0 40 IKAB COc1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1OC 15578910 IFMASUMOYWGHNM-UHFFFAOYSA-N 445.475 5.117 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cccc(NC(=O)c4ccco4)c3)o2)cc1Cl 16346768 LPFJHWBQZWSULY-ZRDIBKRKSA-N 446.890 6.406 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1ccc(Cl)c(-c2nc3ncccc3o2)c1 17096769 RPEJWJVMLBFMLK-UHFFFAOYSA-N 430.316 5.927 0 40 IKAB COc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc(C)cc(C)c4)ccc3o2)c1 17097524 ZNQPLUUQOGPUAU-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB COc1cc(C)c(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C 19567345 WILOFJCQXZPGJY-XMMPIXPASA-N 445.611 5.266 0 40 IKAB COc1cc(NC(=O)c2cccc(Cl)c2Cl)ccc1N1C(=O)c2ccccc2C1=O 19633145 RSMDYEDBAOPBLA-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB C[C@H](Cc1cccc(C(F)(F)F)c1)NC(c1ccc(Cl)cc1)c1ccc(Cl)cc1 19853676 SQDNSYOYZJOLIH-OAHLLOKOSA-N 438.320 7.322 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3n2)cc1 20611236 AQYNKCYIQHSXDC-GOSISDBHSA-N 428.536 5.721 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1cc(-c2cccs2)nc2ccccc12 24395256 CIWWMMVPPYSRHE-UHFFFAOYSA-N 438.556 5.480 0 40 IKAB Cc1cc(Br)ccc1NC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 24832051 GSCIFFWMWTVICQ-UHFFFAOYSA-N 442.210 5.353 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)c3sc(C)nc3C)c2C(=O)OC)cc1 28540262 MBYYPACSIKMYBQ-UHFFFAOYSA-N 430.551 5.316 0 40 IKAB COc1cc(CN(C)C(=O)c2cc(-c3cccnc3)nc3ccccc23)ccc1OC(F)F 29292458 KCVBUSLRZYVCNG-UHFFFAOYSA-N 449.457 5.179 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(C)c(Cl)c4)cc3)n2)cc1 32578694 YTORYAMKFVPGGK-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38834011 NLWBVBHKNMSREO-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(NCc1ccccc1)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1 39330103 JXYVVXLWNAFNTI-LJAQVGFWSA-N 448.566 5.316 0 40 IKAB Cc1ccccc1CSCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 39763684 WZADXPBKCIFWPL-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44902788 SMMSNLGEMCECIP-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CN(c1cccc(Cl)c1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(F)cc2)no1 49001819 ISXRPKNGFJDHOI-UHFFFAOYSA-N 449.916 5.083 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)cc3Cl)CC2=O)cc1Cl 59227212 XVLVHAOTCLAYGE-LLVKDONJSA-N 442.140 5.056 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)nc2ccc(NC(=O)c3ccccc3OC)cc12 65033900 UQZKUEFHGCICIM-UHFFFAOYSA-N 428.488 5.570 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Cl)cc2)nc2ccsc2c1=O 67209200 PUANHMWDSWLIIA-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB COc1ccc2cc(CN3CCC[C@@H]([C@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 72330565 VNGZSACNXGYWPK-SQHAQQRYSA-N 443.591 5.113 0 40 IKAB CCc1ncc(CN2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 72358216 BHAUEEKXXUMMLJ-JOCHJYFZSA-N 426.486 5.381 0 40 IKAB COc1ccc(CCC(=O)N2CCc3nc(-c4ccc(C(F)(F)F)cc4)sc3C2)cc1 72391984 SSWSHTIBAMNYAK-UHFFFAOYSA-N 446.494 5.355 0 40 IKAB O=C(Nc1cnc(Br)c(Br)c1)c1cc(Cl)cc2cccnc12 79098137 QFJKHXDNVJTSIH-UHFFFAOYSA-N 441.510 5.061 0 40 IKAB CCCCCCn1c(=O)c(C(=O)Nc2ccc(Cl)cc2Cl)c(O)c2ccccc21 100534655 LXNBLSJKEZTMHU-UHFFFAOYSA-N 433.335 5.847 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102727559 MYRHAKXGORPFSA-ZSEKCTLFSA-N 441.314 6.603 0 40 IKAB Fc1ccc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1Cl 107039744 GZHMJFCDBGLIMN-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB CCC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118933540 QHOMXCCLTQDVMP-UJSHJDKLSA-N 428.657 6.893 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cccc(C(=O)Nc3ccccc3C(F)(F)F)c2)cc1 222544613 LGUVRRRARZRDQN-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 224191001 PRHARHDIZPTEIE-MHZLTWQESA-N 448.651 5.917 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224336513 LLIZYUPMIPPAML-GOSISDBHSA-N 449.422 5.424 0 40 IKAB C[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 224732736 UGRYYOBRLVEBFN-CNGOPUHISA-N 432.589 5.694 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3c(Cl)cccc3Cl)ccc21 225133215 QADUFRGFOHWSLF-UHFFFAOYSA-N 441.405 5.823 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCc1ccccc1 225326834 JCBOEVIRLSWTBA-UHFFFAOYSA-N 427.331 5.495 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225526300 GJKGQAATUYVNEU-VGSWGCGISA-N 449.422 5.566 0 40 IKAB O=C(Nc1ccc(Br)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225574977 KEALADQJHMELTR-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225664495 PVZZHXCWMNOHCH-RXFWQSSRSA-N 448.582 5.634 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)CC)c2ccccc12 225845368 AJQIJWXHTVIUSS-OAQYLSRUSA-N 427.629 7.213 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253497851 QUYCEUJYTAJEMW-UFFSGWQDSA-N 448.569 6.463 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 256379268 ACGNVBRAISEVDK-WWJJRALSSA-N 426.685 7.880 0 40 IKAB Cc1ccc2oc(CN3CCCC[C@H]3C[C@H](NC(=O)C(C)(C)C)c3ccccn3)c(C)c2c1 257241913 IAFKJXIADCKNDQ-URXFXBBRSA-N 447.623 6.093 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)c2c(C)noc2n1 257340495 ZGKDZKUJOHKEPF-IBGZPJMESA-N 436.899 5.049 0 40 IKAB COc1cc(C(=S)NC[C@@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 408572316 GCBRUGGQUCXZQP-INIZCTEOSA-N 426.365 5.025 0 40 IKAB CCc1nnc(S/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)O)o1 408630924 DSDOYZRWDMLEBO-NDENLUEZSA-N 437.496 5.300 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1 408640566 ILXWOTCFIHFHEL-IBGZPJMESA-N 428.532 5.768 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)CC1=O 408648542 YOIINKIDHAJLKL-JOCHJYFZSA-N 442.559 5.904 0 40 IKAB CCOc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408771661 JYRMBGWAHRWPLE-VWLOTQADSA-N 432.545 5.112 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3\S[C@H](Nc4ccc(CC)cc4)NC3=O)o2)cc1 408783305 MIMJKGUTDPAGDH-BQKWAYIGSA-N 448.544 5.285 0 40 IKAB Cc1ccc2c(Cl)c(C3=N/C(=C/c4cccc(Br)c4)C(=O)O3)sc2c1 408839652 VEWXLXLNUXOYJC-NTEUORMPSA-N 432.726 5.970 0 40 IKAB CCOc1cc(Cl)c(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OCC 409192316 ARNGKKKABLWAQE-VCHYOVAHSA-N 438.332 6.032 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3cccc(C)c3)c(Cl)c2)cc1 409263217 LRPLQDKDQQGEKZ-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1cc2cc(Cl)ccc2o1 409342098 BMNQREANNLNWJB-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2cccc(F)c2)sc2c1C[C@H](C(C)C)O[C@H]2C(C)C 524733566 VSIMABRCJHYORA-NQIIRXRSSA-N 447.572 5.540 0 40 IKAB O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(-c2ccsc2)s1 618255769 ITCWRFWEZIFKJW-MRXNPFEDSA-N 436.396 5.022 0 40 IKAB CCc1cccc2c(SCC(=O)Nc3ccccc3OC)nc(-c3ccccc3)nc12 648342 NNYWZZIOUXPWQP-UHFFFAOYSA-N 429.545 5.599 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2)cc1 664031 ASCVKLSVXMMAOD-UHFFFAOYSA-N 430.533 5.064 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 674326 WXAOCTBZBNFPPE-MLGOLLRUSA-N 440.809 5.051 0 40 IKAB COc1ccc([C@@H]2CC(=O)Nc3c2cc(Br)c2ccccc32)c(OC)c1OC 681748 JTZLURJVUBGJAE-HNNXBMFYSA-N 442.309 5.102 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3\C(=O)Nc4ccc(Br)cc43)o2)cc1 684506 PQUAXBXFGYTWLZ-PDGQHHTCSA-N 438.277 5.379 0 40 IKAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc(C)cc4)c3N2)c1 884350 FUKUFBFQXBGCME-RBUKOAKNSA-N 430.430 5.113 0 40 IKAB Cc1ccc(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)o1 1076399 FKLMZHKVNFTDPI-UHFFFAOYSA-N 436.558 5.202 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)cc2c1 1327287 LQAYGGDTQJWXHR-UHFFFAOYSA-N 425.916 5.167 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 1392272 RXTSBOZDAKSFBM-UHFFFAOYSA-N 443.739 5.511 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(F)c3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 1414901 KAWGHKFFXVELQQ-UHFFFAOYSA-N 432.838 6.800 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c2c1 2078757 UUHXRSQZRKALMN-UHFFFAOYSA-N 443.930 6.520 0 40 IKAB CCC(=O)N(CC[C@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)c(OC)c1 2134471 UGYXBAYSSOBRDN-NRFANRHFSA-N 437.536 5.266 0 40 IKAB biogenic CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)c1cccc(Br)c1 2197342 YNJHPIUOKJUOPN-UHFFFAOYSA-N 448.432 6.864 0 40 IKAB CC1(C)Cc2nc3sc4c(N5CCC(Cc6ccccc6)CC5)ncnc4c3cc2CO1 2411925 JERAGSKFRJMXPJ-UHFFFAOYSA-N 444.604 5.550 0 40 IKAB Cc1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4ccc(Cl)cc4Cl)nc3C2)cc1 2422641 KXOLUMNYZKYJTJ-AWEZNQCLSA-N 426.303 5.257 0 40 IKAB CC(C)[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccccc1 2640995 SDZBQWGMRAKQFR-SFHVURJKSA-N 436.625 5.485 0 40 IKAB O=C(NCc1ccc(Cl)cc1)C(=Cc1ccsc1)C(=O)NCc1ccc(Cl)cc1 3261131 CVEFDOYOLRFMKM-UHFFFAOYSA-N 445.371 5.071 0 40 IKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 3309945 AZFDBBWPSZZJSS-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB COc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccs2)cc1 3355772 MQGUNDFVUSPSLT-UHFFFAOYSA-N 447.507 6.316 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccc(C(C)=O)cc4)o3)sc2C)cc1 3428215 MXFJCWJATIHGHY-UHFFFAOYSA-N 432.501 5.842 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(C(C)(C)C)cc2)cc1 3655361 HTHKHOWAQPSPJR-UHFFFAOYSA-N 427.500 6.222 0 40 IKAB CC(C)(C)OC(=O)[C@@H]1CCC(=O)N1C1(c2ccccc2)c2ccccc2-c2ccccc21 5714480 ZMNQSAJGWRXSPA-DEOSSOPVSA-N 425.528 5.292 0 40 IKAB COc1c(Br)cc(/C=C/c2ccc3cccc(O)c3n2)cc1Br 8452638 QLNTUIJDNFHSCB-FNORWQNLSA-N 435.115 5.644 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](C(C)C)n2nc(SCc3ccccc3C)nc2N1 8594820 GFWOKRCOVKZGSE-OAQYLSRUSA-N 433.581 5.414 0 40 IKAB aggregator Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)cc1C 8755480 XOMFJHQCLSXIIN-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)c(F)c1 8810206 ORBMLDOYAWRDJR-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 8832272 ZMEHCTRHIBKBOP-UHFFFAOYSA-N 445.403 6.789 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCCC3 8837343 OBHYQKCSVOLJRE-UHFFFAOYSA-N 439.993 6.392 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8862413 GXNPBRVXKDKRNR-IAGOWNOFSA-N 438.572 5.037 0 40 IKAB Cc1cc(Nc2ccc(S(=O)(=O)N3CCCC3)cc2)c2ccc(C(F)(F)F)cc2n1 8871970 CPZCHJGCSMWYLC-UHFFFAOYSA-N 435.471 5.090 0 40 IKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(Br)cc1)C(C)(C)N2 8951515 DOFOWLRRNHBXIU-QOCHGBHMSA-N 431.424 6.749 0 40 IKAB O=C(Oc1cc(-c2ccc(Br)cc2)c2oc(=S)sc2c1)c1ccccc1 8951617 UXGWELVSEZIRDZ-UHFFFAOYSA-N 443.343 6.872 0 40 IKAB Sc1nnc2c3c(nc(SCc4ccccc4)n12)-c1ccccc1CC31CCCCC1 9044386 XMRHVTSDOVNLGN-UHFFFAOYSA-N 444.629 6.130 0 40 IKAB O=C(CSC(=S)N1CCCCC1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 9088195 LHGKZLRQHJQOAC-UHFFFAOYSA-N 432.998 5.014 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccccc1 9309031 FJZLSQPIJZTLDM-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB COc1ccccc1C(=O)Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1 9366761 JWSKLVXKMDFHMD-UHFFFAOYSA-N 425.457 5.110 0 40 IKAB Cc1nc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c(Cl)cc1Cl 9517001 IPSMGTTVHZKCFZ-UHFFFAOYSA-N 447.269 5.390 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CSc3ncnc4sccc34)cs2)cc1 9579990 YZQHXCKAVWYUQB-UHFFFAOYSA-N 426.592 5.687 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@@H](C)C(=O)NCc1cccs1 9595458 LTKRYNIOUGJKEB-SFHVURJKSA-N 444.556 5.546 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1 9664159 YTFLLINAVWJRGV-UHFFFAOYSA-N 448.979 5.686 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2cccc(Cl)c2)cc1 9892018 AWZGHKITCCVEHQ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 10120107 FSLUEAWCUGESPH-UHFFFAOYSA-N 428.875 6.584 0 40 IKAB Cc1cc2nc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)sc2cc1C 10526504 UQWFJQOSSLSJSF-GFCCVEGCSA-N 441.405 6.107 0 40 IKAB O=C(Cc1ccccc1F)NCc1ccc(-c2nc(C3CC3)ncc2-c2ccccn2)cc1 12257224 HXZGKJCAYRONGK-UHFFFAOYSA-N 438.506 5.081 0 40 IKAB O=C(CCCn1nc(-c2ccc(Cl)cc2)ccc1=O)Nc1cc(Cl)ccc1Cl 12440893 DVBUGSGQTJQNQD-UHFFFAOYSA-N 436.726 5.289 0 40 IKAB COc1cccc2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc(-c3ccccc3)nc12 12486332 ZELQPQXSYUBVLC-UHFFFAOYSA-N 443.572 5.961 0 40 IKAB Cc1sc2nc(Cc3ccccc3)n3c(SCC(=O)c4ccccc4)nnc3c2c1C 12500006 XIZSQLINKQGPOL-UHFFFAOYSA-N 444.585 5.522 0 40 IKAB CC(C)(C)c1ccc(-c2c[n+](-c3ccc(Br)cc3)c3n2CCCS3)cc1 12574947 YBXZOFGBMWVTIK-UHFFFAOYSA-N 428.419 5.988 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)COc3ccc(C(=O)c4ccccc4)cc3)c2C)cc1 12790444 TUQXKZPGXCSADC-UHFFFAOYSA-N 439.515 5.046 0 40 IKAB Cc1ccc(-c2nc(CSCC(=O)N3c4ccccc4NC(=O)C3(C)C)cs2)cc1 12869531 OQMATIYUNHYCOH-UHFFFAOYSA-N 437.590 5.116 0 40 IKAB O=C(O)CC/C(=C\c1csc(-c2ccc(Cl)cc2)n1)c1nc2ccccc2s1 13096511 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CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccc(Cl)cc2)cc1 16806008 SHGFFAORVLXBFK-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 17096119 OPKXTNAJFNGRMU-MRXNPFEDSA-N 428.598 5.429 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)c(O)c2)cc1 17097555 YMCBHQJKQKGWGZ-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 19637079 LOXIPFICLOBXFJ-DOTOQJQBSA-N 442.625 5.529 0 40 IKAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C1CCCCC1 20043675 IOKWKTMGVJTUEK-DEOSSOPVSA-N 443.012 5.519 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c2ccccc2)cc1 20462578 ILAFQVDXZRGJRU-PMERELPUSA-N 446.594 6.467 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NC1CCCCC1 20485243 AMTIJGRHXOLVAQ-DEOSSOPVSA-N 430.548 5.698 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccccc2C)c2c[nH]c3ccccc23)cc1OC 21789270 RKOJCXHLHAYDEM-QFIPXVFZSA-N 428.532 5.446 0 40 IKAB Cc1ccc(NC(=O)CN(c2ccc(C)c(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 22277944 KYJBJMOTUGRDLQ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccccc2C(C)C)cc1C(=O)N1CCC(C)CC1 26118941 ZCCPQSXLICBQGM-UHFFFAOYSA-N 446.638 5.205 0 40 IKAB COc1cccc(C(=O)NC[C@@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)c1 27742471 ARVKENLIDHERSV-NRFANRHFSA-N 449.348 5.501 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3c(C)cccc3C)n2)cc1 27795518 WBFLQHSISNIMRD-UHFFFAOYSA-N 442.382 5.709 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cn2cc(Br)cn2)cc1 27969805 KIRHOJISIDJWJV-UHFFFAOYSA-N 425.113 5.253 0 40 IKAB COc1cc(-c2noc(-c3ccccc3)n2)ccc1OCC(=O)Nc1cc(C)cc(C)c1 33013082 MDXNGBYTPYMRNY-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1ccc2nc(Cl)c(CN(Cc3ccc4c(c3)OCO4)C(=O)C(F)(F)F)cc2c1 35311029 LAKYWHXHYNJOHM-UHFFFAOYSA-N 436.817 5.016 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1cccc(Cl)c1 35400283 JBRUWUYKEDJDFQ-UHFFFAOYSA-N 434.326 5.755 0 40 IKAB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)S1 35646165 HYOJEGVSZALQJV-ODLFYWEKSA-N 445.327 6.344 0 40 IKAB 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O=C(c1cccnc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 84357590 FYXLQXOSGHZHJY-ODYGUOKUSA-N 439.993 6.295 0 40 IKAB FC(F)(F)c1cccc(-c2cnn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2)c1 95921825 GSCQNMUUWMEDJL-UHFFFAOYSA-N 425.159 6.884 0 40 IKAB COc1cc2nc(SC[C@@H]3CCCCO3)n(C3CCCCCC3)c(=N)c2cc1OC 100330629 LZPLZVBTRVPSSH-KRWDZBQOSA-N 431.602 5.089 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccco2)CC3)c1 101683489 SVLPDCYLLOANRV-SDXDJHTJSA-N 438.483 5.419 0 40 IKAB CCOc1cc([C@H]2C3=C(O)C[C@@H](c4ccc(C(C)C)cc4)CC3=Nc3ncnn32)ccc1O 102678699 YRRGIRMXBSLSSV-DFBJGRDBSA-N 444.535 5.571 0 40 IKAB CNS[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118928400 HTHNWQMPMKADST-BTGNDISDSA-N 431.774 8.264 0 40 IKAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 195530933 QSMHPGJPYFOXON-RIOWRKJXSA-N 448.401 5.827 0 40 IKAB Cc1nc(-c2ccccc2NC(=O)c2sc3nc(-c4ccc(F)cc4)cn3c2C)cs1 208010450 SQFRSVGOLUWUAQ-UHFFFAOYSA-N 448.548 6.195 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc(C)c1Cl 218918643 IPUPPWNEURJLPB-UHFFFAOYSA-N 432.800 5.692 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 223128383 OXRHODQBFHVZIZ-LEYFIJQKSA-N 434.561 5.104 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc2c(c1)oc1ccccc12 223454208 CKTNWWYNILSLHA-UHFFFAOYSA-N 426.335 6.220 0 40 IKAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223543797 JCEMPZHBLFSZRG-QFIPXVFZSA-N 436.640 5.293 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1 224177071 NLVIJGQOSBTAHX-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)c(C)c2)cc1Cl 224192669 LWODIOWIMVYRIX-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1CSc1ccc(C)cc1 224340704 HMKBVNDJTNIWBI-UHFFFAOYSA-N 446.616 5.254 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225054392 QJSBFNJCHUYQOV-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225159930 HSBSNJNJWBMZSV-RTBURBONSA-N 445.003 5.174 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225205082 UYTPTUYKDFRKEB-RTBURBONSA-N 447.044 5.214 0 40 IKAB Fc1cc(Br)ccc1NC(=S)NC1(c2ccccc2Cl)CCCC1 225861014 JJJMMBUVXFVTTM-UHFFFAOYSA-N 427.770 5.998 0 40 IKAB Cc1c(CO)c2ccccc2n1C(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226766800 IZQWCLBOKRNVRN-UHFFFAOYSA-N 444.712 5.806 0 40 IKAB C[C@H](C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1)c1ccccc1 248195059 ONAOSPSDEHIPSY-LWCVALJOSA-N 448.533 5.336 0 40 IKAB Cc1cc2ccccc2n1CC(=O)NCc1ccc([C@H]2CCCN2C2CCCCC2)nc1 257244956 INLXLADZMCDXMY-AREMUKBSSA-N 430.596 5.131 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3F)c(Cl)c2)N1c1ccc(Cl)cc1 408554267 CDVRTFJWLRMXQX-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1 408605178 KUISMTRDOPLNGH-SFHVURJKSA-N 439.364 5.390 0 40 IKAB Cc1cc(Br)ccc1NCc1ccc(OCc2cccc3ccccc23)cc1 408613438 UGYYDGKEJXQRAC-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)N1CCCCCC1 408703793 HFNNDZCCLBNMIX-HSZRJFAPSA-N 428.985 5.130 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc(-c2ccccc2)cc1 409051515 AVWZHOVFWOWRQF-UHFFFAOYSA-N 438.577 7.458 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)cc1 409105809 KSRINSHAODAGMP-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 409110958 HONZAARYXCMECJ-UHFFFAOYSA-N 430.317 6.178 0 40 IKAB Cc1cc(NC(=O)CSCc2cccc(Br)c2)ccc1Br 409185984 UITXCKWNFATWHD-UHFFFAOYSA-N 429.177 5.392 0 40 IKAB COCCCN1C(=O)S/C(=C/c2c(OCc3ccc(C)cc3)ccc3ccccc23)C1=O 409241378 SDEQHANECIRXJD-LFVJCYFKSA-N 447.556 5.800 0 40 IKAB CCCc1ccc2c(c1)[C@H]1O[C@@H](CCc3cccc(OC)c3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 2037872724 FGADLLQOPOKDIY-KELBGUDLSA-N 438.564 5.599 0 40 IKAB CCOC(=O)c1cnn(-c2ccc(C(C)C)cc2)c1NC(=O)c1cccc(C(F)(F)F)c1 692117 TUWJPHRTRXIMCL-UHFFFAOYSA-N 445.441 5.444 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccc(OC)cc3)cc12 1318631 FCXNVDQARYFWSA-UHFFFAOYSA-N 446.455 5.513 0 40 IKAB biogenic CCOc1ccccc1C(=O)Nc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H](C)CC)cs1 1366824 KBSHPTVKQOKPAW-MRXNPFEDSA-N 449.576 5.396 0 40 IKAB COc1ccc(NC(=O)c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)cc1 1383336 XKTDIJQGUBASII-UHFFFAOYSA-N 434.464 6.305 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCc4ccccn4)ncnc32)cc1Cl 1447685 XYVCARSFBDMWBL-UHFFFAOYSA-N 425.923 6.056 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 1838910 LUTVREOTUYVIKD-RUZDIDTESA-N 435.907 5.535 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OCc3ccccc3F)ccc2c1=O 1915174 PSFYGRBPNCLRPD-UHFFFAOYSA-N 444.380 6.206 0 40 IKAB biogenic O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccnc1Oc1ccc(Cl)cc1 2054172 HYOYAJFZHZFHST-UHFFFAOYSA-N 428.102 6.740 0 40 IKAB CCOc1cccc2c1N(C(=O)c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 2067657 GPHRVICDQITVJD-UHFFFAOYSA-N 427.616 6.809 0 40 IKAB COc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc23)cc1 2079745 JZUWOBOKCDYNKM-UHFFFAOYSA-N 430.935 6.741 0 40 IKAB O=c1c2c3c(sc2n(Cc2ccc(Cl)cc2)c(=O)n1-c1ccc(Cl)cc1)CCC3 2213602 VQSJGZCOPQPSKA-UHFFFAOYSA-N 443.355 5.058 0 40 IKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Br)cc3)c3cccc(C)c3n2)cc1 2258207 IQQPJGOFKAEDQZ-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 2423555 YUVOCQGTVKZYPF-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1CCc1ccc(F)cc1 2619436 WONHXZUJDRAWIQ-UHFFFAOYSA-N 425.485 5.105 0 40 IKAB COc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)cc1Cl 2974980 XHVUZENZOPCILO-UHFFFAOYSA-N 444.897 6.632 0 40 IKAB CN(C)c1sc(C(=O)c2ccc(Cl)cc2)cc1-c1ccc(Oc2ccccc2)cc1 3029377 WSBCURQIXRKFKF-UHFFFAOYSA-N 433.960 7.158 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3173922 VTDPDUALSVGCPY-UHFFFAOYSA-N 426.278 6.238 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 3427569 HKNDKIPRKSPUPI-MHZLTWQESA-N 442.603 5.478 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 4193593 HUQRNDUHICMJEI-OAUMQMJJSA-N 430.529 5.220 0 40 IKAB Cc1ccc(Oc2c(C(F)(F)F)oc3cc(OCc4ccc(F)cc4)ccc3c2=O)cc1 4290957 XYFOOXPNAJGTCM-UHFFFAOYSA-N 444.380 6.631 0 40 IKAB CC[C@@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 6631947 LIPPHDMICQMURW-XXLQHYSLSA-N 435.277 5.379 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3ccc(C(C)(C)C)cc3)c2c1 6844288 SCKOKECFXIDZAQ-UHFFFAOYSA-N 430.592 7.588 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(Br)ccc3c2C)cc1 8614085 ZAPSBVUUBCFHFI-UHFFFAOYSA-N 442.269 5.205 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)n2)cc1OC 8832063 JJVLSNMIICXNAH-UHFFFAOYSA-N 440.908 5.993 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(CSCc2ccc(F)cc2)s1 8914551 PXOXAYFUJKGLID-UHFFFAOYSA-N 443.356 6.061 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OC(=O)c4ccccc4)c2)N3)C1 8923420 KLHBHCSLZHQWMC-QFIPXVFZSA-N 447.560 5.163 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C)cc2)cc1 9159461 QMZHDPXNJNNBLS-DEOSSOPVSA-N 443.474 5.037 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)n1 9193053 DWPVRQPAOWHJOV-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB COc1ccc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc4ccccc34)nc12 9274091 OGVWXEDNBCNROG-UHFFFAOYSA-N 439.540 6.009 0 40 IKAB O=C1COc2ccc(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc2N1 9464104 ALHRXEXMUXMKJY-UHFFFAOYSA-N 442.496 5.315 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2S1 9465178 RWDATPKHGDKXSM-MRXNPFEDSA-N 436.606 5.154 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 9494385 HMZGKWRBDXYBQT-FQEVSTJZSA-N 447.560 5.006 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 9553494 YEADHWLYTPMGIB-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4cccs4)c3[C@H]2c2ccccc2)cc1 9679558 OBGZYVXSURWPCK-JOCHJYFZSA-N 429.501 5.065 0 40 IKAB O=C(Cc1csc(-c2cccnc2)n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 9730167 VFYVISKMDAGSLQ-UHFFFAOYSA-N 432.574 5.389 0 40 IKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1ccc(Br)cc1 9846068 ZVKLFXFCBYJUEQ-UHFFFAOYSA-N 428.374 6.124 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 10212775 FHDYDJUSLHVGEH-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB CCOc1ccc(CCC2CCN(C(=O)CSc3ccc(NC(C)=O)cc3)CC2)cc1 10980109 AFQHZZPBTNYYSK-UHFFFAOYSA-N 440.609 5.007 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccc(C)c(Cl)c2)cc1 11114979 GLUOSQCIQGZHIV-RTWAWAEBSA-N 427.957 5.165 0 40 IKAB Cc1ccc(C)c2sc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)nc12 11143120 WFYGMTCNVPFASA-GFCCVEGCSA-N 441.405 6.107 0 40 IKAB Cc1nc(SCC(=O)N2c3ccccc3CCc3ccccc32)c2c(C)c(C)sc2n1 12636684 MKPRYYXGKGSHPA-UHFFFAOYSA-N 445.613 6.172 0 40 IKAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@@H](C(C)(C)C)C2 12660122 MYYCJYUYCBBNOW-VZVUQDNOSA-N 448.588 5.348 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1C(=O)c1cccs1 12798303 OQODHIKKLDPWMD-UHFFFAOYSA-N 442.544 5.216 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(COc4ccc(Cl)cc4)o3)co2)c(C)c1 12857998 FPRBRHPOIHLHJB-UHFFFAOYSA-N 427.913 5.866 0 40 IKAB C[C@@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Oc4ccc5ccccc5c4)c23)C1 13038077 UQHOSYZLENCTLR-QGZVFWFLSA-N 445.588 5.594 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 13141060 SIOXAHMCISMZLZ-KRWDZBQOSA-N 434.590 5.024 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3cccnc3)C(=S)Nc3cccc(F)c3)c2c1 13283400 NNGLBONJVPFNNK-UHFFFAOYSA-N 448.567 5.461 0 40 IKAB O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)Nc1ccc(Cl)cc1 13940162 MXBSDJPVHLIVGD-UHFFFAOYSA-N 446.959 6.502 0 40 IKAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14115678 POYKKMSIHFSCOP-SNVBAGLBSA-N 441.607 5.370 0 40 IKAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC1=CCCCC1)c1ccccc1Cl 14171421 NPTQRLQFJHKDFX-DEOSSOPVSA-N 449.982 5.169 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c3ccccc3n2)o1 14357617 KPMPXGMUWDOTRM-UHFFFAOYSA-N 444.531 5.045 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(O[C@H](C)CC)cc2)c1 14831549 QKRZMWUJGXDKJE-CQSZACIVSA-N 447.988 5.383 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 16610825 PUHQSFCITWBASF-SFHVURJKSA-N 428.532 7.048 0 40 IKAB CC(C)(C)c1ccc(CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 16805112 XJKGQNGOSIKGET-UHFFFAOYSA-N 425.022 7.602 0 40 IKAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(Cl)c2)no1 16846579 KDMSUDVTAZJYMW-UHFFFAOYSA-N 449.916 5.083 0 40 IKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(-c2cccc(Cl)c2)o1 17097250 GMVPPEUZQBZPEN-UHFFFAOYSA-N 430.916 7.129 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 20239777 NSVLWHFUCASAKX-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2S(=O)(=O)c2ccc(C)cc2)c1 20285563 DYLLDAMJMUBPSB-QPLCGJKRSA-N 433.529 5.377 0 40 IKAB CCOc1c(Cl)cc(Cl)cc1CNn1c(-c2ccccc2OC)n[nH]c1=S 22111265 DJINZWAAJXJUMB-UHFFFAOYSA-N 425.341 5.065 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)N2CCc3sccc3C2)c1C 26045093 HIYHRUCHSMOXCV-UHFFFAOYSA-N 440.952 5.169 0 40 IKAB COc1ccc(CCNC(=O)CCc2c(C)c3cc4c(C)c(C)oc4c(C)c3oc2=O)cc1 28393311 TWXCTWWZIOECED-UHFFFAOYSA-N 447.531 5.073 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(Cn2c(C(F)(F)F)nc3ccccc32)cs1 29300534 KZPCXWKIMMQJPH-UHFFFAOYSA-N 430.455 5.553 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cc(C)nc3ccccc23)c1 32876204 CRXJQQUEPGBXBC-FQEVSTJZSA-N 437.543 5.905 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@H]12 33935957 QYXSLVBHLXGBFP-CKEIUWERSA-N 432.446 5.049 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 38651825 RIYSGGHJOIOYBD-UHFFFAOYSA-N 436.920 5.883 0 40 IKAB CCCCCCOc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)Nc3ncnn32)cc1 39427775 VRNDADJNKBAIBM-DEOSSOPVSA-N 445.567 5.473 0 40 IKAB Cc1oc(-c2cccs2)nc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 40128948 LJEWCZSMTISKOS-CQSZACIVSA-N 425.535 5.147 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN1CCCC[C@@H]1c1nc2ccccc2s1 58160618 AHFVXSDRNUDKAL-OAQYLSRUSA-N 445.592 5.265 0 40 IKAB COc1cc(/C=C2/SC(=S)N=C2O)ccc1OC(=O)c1ccc(Cl)cc1Cl 59167658 PRKNZIQNKWPHHG-VIZOYTHASA-N 440.329 5.550 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3NN=C(c4ccccc4)S3)cc2Br)cc1 59409077 UCZNKDIGLSGONE-JOCHJYFZSA-N 439.378 6.033 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)c2ccc(COCC)cc2)n1 72390662 RPPLISJVVMDLNK-XMMPIXPASA-N 444.579 5.395 0 40 IKAB Brc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1 106978692 LOGHVDCWCNBKJW-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1cccc(C)c1)C(C)C 108269879 AHVRUTVHNDAGMR-FQEVSTJZSA-N 443.016 5.679 0 40 IKAB C[C@H]1CCCN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 216839422 NPYSVZZOKJPIKE-AWEZNQCLSA-N 432.305 5.331 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 222715256 NQTYERVWMZZXBT-NPFVIJTESA-N 433.533 5.328 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 223344685 FHKBJLRPFCYOFQ-QFIPXVFZSA-N 445.003 5.058 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223429999 QGTQECSRXBSGOQ-JWQCQUIFSA-N 446.620 5.570 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 223457325 GBUOEEQGWLECOW-LOSJGSFVSA-N 445.636 5.573 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 223661800 QDEWVPCJJXODDL-UHFFFAOYSA-N 446.994 5.184 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1c(Cl)cccc1Cl 223669736 CRCYBNGBDVFOON-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224624968 XFFCHVURMWNVBO-RPWUZVMVSA-N 427.529 5.952 0 40 IKAB Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224748581 BLEBQQZKHPAMIE-JOCHJYFZSA-N 436.596 5.020 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)c(OC)c1 224799170 DUQIQSZUGPTIKZ-BJKOFHAPSA-N 448.592 5.029 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 224818006 JAUKDIQJLBMXGM-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225547588 WRBRXXDXYPCDGD-URXFXBBRSA-N 438.612 5.021 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)on2)c1 257271223 MXJUZHCWAXIIHS-QHCPKHFHSA-N 443.503 5.296 0 40 IKAB O=C(COc1ccc(F)c(Cl)c1)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 257292002 QJOOJWXBLBVNFI-HDJSIYSDSA-N 449.935 5.060 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5cnccc5c4)CC3)CCOCC2)c1 257322251 WFEUQPZISSGBOO-HSZRJFAPSA-N 442.603 5.463 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccc(Cl)cc3)cc2)cc1 408546760 VDMIQHDEEPXDJQ-UHFFFAOYSA-N 442.049 6.604 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 408608936 NCOHGBXOLNARLY-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408714228 LSUYGAHNVDQXRH-UHFFFAOYSA-N 427.932 5.033 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)c(OC)c1 408814570 VTUCCLWFGFUEOP-ARELOLJLSA-N 437.585 5.758 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1CCCc1ccccc1 409125541 ATJTXJJVOQEERQ-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1 409195394 PKOOVFUJDICQIL-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)c1 409203995 AYUCXEXZODUAAY-UHFFFAOYSA-N 447.387 6.644 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 409243960 ZRVLNSQVUMEQFA-DORSJAEJSA-N 442.943 5.317 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1 409344757 KGWJFDKUSIGLPF-MOSHPQCFSA-N 429.925 5.438 0 40 IKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3ccncc3)CC2)C1 643574055 ZRRWJHGBAGYDDN-UHFFFAOYSA-N 449.639 5.212 0 40 IKAB COc1ccc(CN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=S)NC2CCCCC2)cc1 884084 LZGMPDNOKJHBJE-UHFFFAOYSA-N 449.620 5.055 0 40 IKAB O=S(=O)(Nc1ccc(-c2cn3ccccc3n2)cc1)c1ccc2cccc3c2c1CC3 971769 KCCVNTQXZJQDPH-UHFFFAOYSA-N 425.513 5.054 0 40 IKAB O=C(N[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccc(Cl)cc1)c1ccc(Cl)cc1 1059836 LVLKSARGTZIDFB-LJQANCHMSA-N 433.722 5.757 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1 1224004 KMVGIJQUGQBRHB-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1ccccc1NC(=O)N(CCc1ccccc1)Cc1cc2ccc(C)cc2[nH]c1=O 1352853 KDOLPCMADWHQMY-UHFFFAOYSA-N 441.531 5.122 0 40 IKAB CCOc1ccccc1C(=O)N(CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 1359268 FQAUXVLKBFVEHK-UHFFFAOYSA-N 440.543 5.120 0 40 IKAB COc1cccc(NC2=C[C@H](c3ccc(C(C)C)cc3)N(c3cccc(OC)c3)C2=O)c1 1426105 POWGERZNHCVNHT-AREMUKBSSA-N 428.532 5.911 0 40 IKAB aggregator Cc1cc2c(cc1C)N(C(=O)CCC1CCCCC1)C(C)(C)c1ssc(=S)c1-2 2063141 RDKSJKHHBLJKMN-UHFFFAOYSA-N 431.692 7.765 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c1C 2074097 NJJNVLIPVCMWNR-UHFFFAOYSA-N 433.964 6.298 0 40 IKAB CCc1cc(=O)oc2c(C)c3c(cc12)CN(c1ccc2c(c1)c1ccccc1n2CC)CO3 2123016 VGNWBTOKCMUHRO-UHFFFAOYSA-N 438.527 6.148 0 40 IKAB biogenic COc1ccc2c(c1)N(S(=O)(=O)c1ccc(C)cc1)C(C)(C)c1ssc(=S)c1-2 2314796 DYBRUPFPLUJRPO-UHFFFAOYSA-N 449.644 5.967 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1 2411131 KHIOKGZPCZVYEJ-FQEVSTJZSA-N 432.501 5.015 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(Cl)c(Cl)c1 2424671 SUUHSGLAJIAWCB-HXUWFJFHSA-N 446.330 5.460 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Cl)c(Cl)c2)n1Cc1ccco1 2447047 IWVUQEYTERBKST-UHFFFAOYSA-N 434.323 6.325 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2OCc2ccc(Cl)cc2)c(Br)c1 2647054 CQKDKUYRWOBZAK-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)cc1 2714434 HVFBMXABDVYYKJ-UHFFFAOYSA-N 440.934 6.362 0 40 IKAB COC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1cccc(OC(C)C)c1 2756288 MFMSEPJKYMNVGO-UHFFFAOYSA-N 429.925 5.895 0 40 IKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccc(Cl)cc1Cl 3041616 IDPUBFNMEGKAOH-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB aggregator Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccccc2C(=O)N2CCCc3ccccc32)c1C 3216512 PVMLKDSDUVCZRL-UHFFFAOYSA-N 448.588 5.314 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3229342 REBIEACJLZDSSD-UHFFFAOYSA-N 441.965 5.751 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1 3267224 SGFFOPOWJCYSPY-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC[C@H]1CSc2n(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(OC(F)F)cc3)c[n+]21 3298620 JUSVIXPLXUCNOC-ZDUSSCGKSA-N 442.338 6.397 0 40 IKAB Cc1ccccc1-n1nnnc1S[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3314979 UMZLTGHOTFZNRB-HSZRJFAPSA-N 425.517 5.168 0 40 IKAB Fc1ccc(-c2csc(-n3nc(-c4ccc5ccccc5c4)cc3C(F)(F)F)n2)cc1 3765729 BBXOGEBAZUQTTI-UHFFFAOYSA-N 439.437 6.974 0 40 IKAB c1ccc(-c2ccc(-c3n(-c4ccccn4)c4ccccc4[n+]3-c3ccccn3)cc2)cc1 6190411 WHEVYUMSQZQMPM-UHFFFAOYSA-N 425.515 6.031 0 40 IKAB CC[C@H](C)c1ccc([C@@H](NCC(=O)Nc2cc(NC(C)=O)ccc2OC)C(C)C)cc1 7719308 UFILVDRYUJMLGM-GKVSMKOHSA-N 425.573 5.093 0 40 IKAB COC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)sc(C)c1-c1ccc(C(C)C)cc1 8455882 VPRBQAWIHMFLST-QZTJIDSGSA-N 441.549 5.239 0 40 IKAB C[C@H](c1ccccc1)n1c([C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752883 CGIPRDFXZVBGCA-MJGOQNOKSA-N 449.476 6.185 0 40 IKAB O=C(Nc1nc(C(c2ccccc2)c2ccccc2)cs1)C12CC3CC(CC(C3)C1)C2 9354664 IWIQQLJWOUJLQL-UHFFFAOYSA-N 428.601 6.478 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccco1)c1ccc[nH]1 9507755 VLXZUGHFMNZIIL-UHFFFAOYSA-N 433.320 5.196 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccc(F)c1)Nc1ccc(Cl)cc1 9599162 UGZSCSSNVBKMEK-UHFFFAOYSA-N 429.948 5.713 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCC(=O)NC(C)(C)C 9601163 VCZPNLSZNSPNFS-UHFFFAOYSA-N 449.035 5.091 0 40 IKAB COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccccc1F 9640223 YMYAUVORTPNBJS-UHFFFAOYSA-N 447.531 6.340 0 40 IKAB COc1cc(C(=O)Nc2ccc3oc(-c4ccc(C)cc4)cc(=O)c3c2)cc(OC)c1OC 9660249 SQNAWUATFAIFBF-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB biogenic Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 9779860 PONZAGKPMWKKRB-UHFFFAOYSA-N 447.926 5.541 0 40 IKAB CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)c1ccccc1CCc1ccccc1 9983267 WIRCCSUPSSXGJZ-UHFFFAOYSA-N 445.950 5.024 0 40 IKAB Cc1cc(C(C)(C)C)cc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccccc21 10059227 QRQAIPJGCTUQRI-GDLZYMKVSA-N 441.571 5.608 0 40 IKAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1Cl 10181955 RUWVEKTUWKYSTJ-MRXNPFEDSA-N 435.911 5.308 0 40 IKAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CNc1ccccc1Oc1ccccc1Cl 10181956 RUWVEKTUWKYSTJ-INIZCTEOSA-N 435.911 5.308 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)no1 11614377 KHPKNHTYLYFZPQ-GOSISDBHSA-N 445.233 5.285 0 40 IKAB Cc1cc(OS(=O)(=O)c2cc(C)c(C)cc2C)n(-c2ccc(Cl)cc2Cl)n1 11691500 UABGZHQQQHIXEO-UHFFFAOYSA-N 425.337 5.180 0 40 IKAB C[C@@H](C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1)c1ccccc1 12220845 NAFDHZYJHNYRHK-QGZVFWFLSA-N 445.588 5.266 0 40 IKAB Cc1cccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)c1 12237210 BJYUCZHBMXSWDS-UHFFFAOYSA-N 433.577 5.330 0 40 IKAB Cc1c(Cl)cccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1ccncc1 12527619 DFUYOMLLXJKJJU-CQSZACIVSA-N 440.960 5.651 0 40 IKAB O=C(CN1CCc2sccc2[C@H]1c1ccccc1)Nc1ccccc1Br 12762918 WJLHOURFDAUDQC-OAQYLSRUSA-N 427.367 5.097 0 40 IKAB Cc1noc(CSc2nc3cc(Cl)ccc3c(=O)n2-c2ccccc2C(C)C)n1 12920569 GKZLJFPIFZMACZ-UHFFFAOYSA-N 426.929 5.146 0 40 IKAB CCOc1ccc(-c2nc(CS[C@H](C)C(=O)NCc3ccc(F)cc3)cs2)cc1 13012569 IINGXNUKQKRJDC-OAHLLOKOSA-N 430.570 5.286 0 40 IKAB c1cncc(-c2nc(NC[C@H](c3cccs3)N3CCCC3)c3c4c(sc3n2)CCC4)c1 13030162 ATOZNYIIEKJYJU-GOSISDBHSA-N 447.633 5.553 0 40 IKAB COc1cc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)ccc1OCc1ccccc1Cl 13995226 UBLNCNSKHJWTLR-XCLFUZPHSA-N 443.956 5.122 0 40 IKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1ncc(Cl)cc1Cl 14138869 COUIQQGWYACRLR-UHFFFAOYSA-N 447.372 5.791 0 40 IKAB O=C(C1C[C@@H]2CC[C@H](C1)C21SCCS1)N1CCC(c2nc3ccccc3o2)CC1 14200351 PGBFWHQHESBFQH-AYHJJNSGSA-N 428.623 5.146 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)cc(Br)c1O 15947467 GIFWDTAGWMIFMU-VVVCHXIZSA-N 437.359 5.169 0 40 IKAB COc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C3CCCC3)c(C)o2)cc1 16991582 BVLLEVRCNAXAPE-UHFFFAOYSA-N 447.560 5.776 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2cc(NC(=O)c3ccccc3Br)ccc12 16993274 BLDXIDABGPHLHK-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB biogenic CC[C@@H](C(=O)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1)c1ccccc1 19500529 SPWXQHWMNPFRJQ-HSZRJFAPSA-N 426.564 5.316 0 40 IKAB COc1ccc2c(c1)C=C(C(=O)Nc1ncc(Cc3ccc(C)c(Cl)c3)s1)C=CO2 19809989 IXEAMSQZWGIEIT-UHFFFAOYSA-N 438.936 5.633 0 40 IKAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 20050332 WXWQXFKPIMIUBW-IBGZPJMESA-N 428.381 5.209 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCN(C)CC2)c1C 20192893 OLXKBMWTPOHITG-NRFANRHFSA-N 444.000 5.200 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1Cl 20239786 NHKKMOKESRRYOV-XMMPIXPASA-N 436.964 5.675 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3n2)cc1 20610500 RGXSSLOCBVOIFP-UHFFFAOYSA-N 446.379 5.492 0 40 IKAB OC1=Nc2ccccc2CC[C@H]1Sc1nnc(-c2ccc(O)cc2)n1C1CCCCC1 20738587 YGJRAXDHGDKLRG-OAQYLSRUSA-N 434.565 5.851 0 40 IKAB CCOc1cc(CN[C@@H](C)c2ccccc2)cc(Cl)c1OCc1ccccc1Cl 22074193 RUBVUAIMJXUPEH-KRWDZBQOSA-N 430.375 6.822 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2Cl)cc1 22511728 POXXXNYAEPHARU-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB CC(C)(C)c1ccc([C@@H]2NC[C@@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 25719531 JZQOEUZYAMGYPE-OFVILXPXSA-N 449.425 7.597 0 40 IKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OC(=O)c1ccc(OC)cc1 26464888 HMQFUOHQHCPPGN-YBEGLDIGSA-N 449.937 5.296 0 40 IKAB Cc1nn(C)cc1-c1nn(-c2cc(Cl)cc(Cl)c2)c(-c2cn(C)nc2C)c1Cl 36611588 ONASNLRKHJYSPI-UHFFFAOYSA-N 435.746 5.250 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1 38834464 XFBXTOXHJPQRLW-QGZVFWFLSA-N 435.351 5.021 0 40 IKAB Cc1ccc(CCCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 40155086 PLULVRGRRNDHDX-UHFFFAOYSA-N 436.577 5.374 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@H]1CC4 46159123 MCSMMGJCXCBSKD-ROEJAOJLSA-N 426.729 8.313 0 40 IKAB O=c1cc(CN2CCC(c3c[nH]c4ccccc34)CC2)nc2scc(-c3ccccc3)n12 48286629 YQKNAPNJLIZIDL-UHFFFAOYSA-N 440.572 5.284 0 40 IKAB CN(c1ccsc1C(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1 49004170 AYCOWJXONYVBOK-UHFFFAOYSA-N 441.361 5.132 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426019 MRYKEMMRSBKMRN-UHFFFAOYSA-N 436.002 5.197 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2c(Cl)cccc2s1 59294553 HTLMFYYAAZRMQO-ZRDIBKRKSA-N 439.949 5.736 0 40 IKAB Cc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c(C)c1 67206699 SDVXHYUNJMNXCV-UHFFFAOYSA-N 441.556 5.716 0 40 IKAB CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1ccc(C)cn1 67295209 VWPVEVUSSSEDBM-PNHLSOANSA-N 433.895 5.673 0 40 IKAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1cccs1 84064799 GXYXUDBGQADPEZ-INIZCTEOSA-N 426.954 5.143 0 40 IKAB Cc1ccc(NC(=O)[C@H]2[C@H]3NC(=O)N(c4ccccc4)[C@@]2(C)Oc2ccc(C)cc23)c(C)c1 101353200 YTWWESZASIDMRB-DXBVXKBHSA-N 441.531 5.246 0 40 IKAB C[C@@]1(O)CC(=O)[C@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccccc1 101584194 ORXBTMMYPIUXLC-QRXMYIDTSA-N 446.930 5.146 0 40 IKAB CC1(C)C[C@@H](NC(=O)COc2ccc3ccccc3c2Br)c2ccccc2O1 218906698 BMNRREDRSQFQSC-GOSISDBHSA-N 440.337 5.400 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)c(Cl)c3)n2)c1 222733695 OQZLFEMXUTVMNI-UHFFFAOYSA-N 436.364 5.244 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)COc2ccc(C)c(C)c2)cc1 222827708 PGXWQDBFJXHORF-ZOLHPDHPSA-N 448.588 5.028 0 40 IKAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223192781 QOEUSSREEFGKTJ-VWLOTQADSA-N 436.571 5.182 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223895515 OHWAMAPPYPRBCX-FQEVSTJZSA-N 438.587 5.358 0 40 IKAB Cc1nc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)ccc1Br 224005970 RMAMKQFREWRIGU-UHFFFAOYSA-N 436.394 5.480 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2)c1)c1ccc(C)cc1C 224111103 IZOVPJJKTJTQFT-XMMPIXPASA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1cccc(Cl)c1 224149494 LKBGKDRVZPHLAT-UHFFFAOYSA-N 449.978 6.023 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CSc1ccc(Cl)cc1 224350412 XUIXEFSTLLBQAD-UHFFFAOYSA-N 427.909 5.622 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224386519 XUARVPYIMCLMGM-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccn(C3CCCCC3)c2)N1c1ccc(Cl)cc1 224480473 FLHQDDMRMRMZCU-PKTZIBPZSA-N 437.012 6.219 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)c1 224519373 JIZMNUKWUFAKFA-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCCOc1ccc(C)cc1 224580151 OSPFPIUJGNPEGQ-VWLOTQADSA-N 438.612 5.042 0 40 IKAB CCN(c1ccc(C(F)(F)F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224627735 ZVFZOHYVYZKZNT-UHFFFAOYSA-N 428.259 5.236 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224901789 NISJUJWGGHJFNV-UHFFFAOYSA-N 428.444 5.056 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3OC)o2)cc1 224910944 ITPCTRFCMBLIAB-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225127713 HQGJUKOUELJVHM-FCHUYYIVSA-N 430.592 5.413 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OCC 225684782 WPPVBGJPJFLORY-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 257271563 MYUZHJANSZDPRY-XMMPIXPASA-N 447.460 6.293 0 40 IKAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3-c3ccccc3)C[C@H]2c2cccc(F)c2)N1 257315817 VCXBEUIIIQKMBO-LBNVMWSVSA-N 442.534 5.161 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCC[C@H](C)C3)n2)cc1 260712883 KQCPBTIOSYMSLC-IBGZPJMESA-N 447.608 5.300 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408580680 QQFGFBFGESCAAS-OAQYLSRUSA-N 447.343 5.613 0 40 IKAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 408589341 HCJAYXLWQCMHDW-UHFFFAOYSA-N 439.537 5.153 0 40 IKAB O=C(C(=O)N(Cc1ccccc1)Cc1ccccc1)c1c(-c2ccccc2)cc2ccccn12 408619501 IROQLKMESUHISZ-UHFFFAOYSA-N 444.534 6.018 0 40 IKAB CCn1c(S/C(=C\c2ccc(OC(C)C)cc2)C(=O)O)nnc1-c1ccc(Cl)cc1 408633163 LWHWGURGOJEMJF-UYRXBGFRSA-N 443.956 5.623 0 40 IKAB CCSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1 408680885 SJUNUKXBZUEXMI-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB O=C(Nc1cccc(F)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704452 NQGKOSGUJYDTEL-HSZRJFAPSA-N 440.927 5.506 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(OC)c2)C1=O 409243492 WWBVJWGZRDHMGE-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2ccc(C(C)C)cc2)C1=O 409338523 LIQDAPYTCBAGSA-BKUYFWCQSA-N 438.549 5.272 0 40 IKAB O=C(Oc1ccccc1-c1nc2ccccc2c(=O)n1Cc1ccccc1)c1cccs1 727426 CZRWTDIVQJTSGY-UHFFFAOYSA-N 438.508 5.393 0 40 IKAB CCn1c(S[C@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1OC 793565 UMRKHJPJJDFGCY-MRXNPFEDSA-N 432.549 5.246 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(OCc3ccccc3)cc2)c(Br)c1 873365 GJROLYGXUXDOFV-UHFFFAOYSA-N 426.310 5.354 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCOC2 892380 DMHUIROZJBPOLC-UHFFFAOYSA-N 435.954 5.426 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1nc(-c2ccccc2)cs1 1029325 VILFLYWZTCNGNU-UHFFFAOYSA-N 430.316 6.333 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1cccc(Cl)c1 1365903 BSUVRDSDYCFTMM-KRWDZBQOSA-N 444.906 5.487 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4ccc(Br)cc4)cc3N)n2)cc1 1405144 NWVLQSRUXBBCFY-UHFFFAOYSA-N 427.327 5.016 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 1935093 IJDLEOIYMUKGSV-UHFFFAOYSA-N 442.437 5.538 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccccc3Cl)sc3c2CCCCC3)c1 2062105 BFPPSKVWEQRDFC-UHFFFAOYSA-N 438.980 6.483 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3cccc(C)c3C)n2)cc1OC 2381037 DIMIUTUCJGPFFE-UHFFFAOYSA-N 429.476 5.290 0 40 IKAB Cc1cccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2Cc2ccco2)c1 2446351 KQGVJUDOFBMRMP-UHFFFAOYSA-N 430.360 6.494 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccccc3C(C)C)n2Cc2ccco2)c1 2447268 CTLFPAZZCDZCSS-UHFFFAOYSA-N 446.576 5.749 0 40 IKAB O=C(Nc1cccc(I)c1)c1sc2cc(F)ccc2c1Cl 2625585 MLKQNUZKCIKDEH-UHFFFAOYSA-N 431.657 5.551 0 40 IKAB Cc1nc(SCCOc2ccc(Br)cc2)c2c3c(sc2n1)C[C@H](C)CC3 2626320 RDYCLGPBDSZCGA-GFCCVEGCSA-N 449.439 6.058 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H](Sc1ncnc2ccccc12)c1ccccc1 3263583 FUDRTELYACPIQD-HXUWFJFHSA-N 440.355 6.409 0 40 IKAB O=C(CCOc1ccccc1)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 3366731 LSRIHKYTXXVGOP-UHFFFAOYSA-N 428.410 5.365 0 40 IKAB Cc1nc(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)n(C2CCCC2)c1C 7030990 SWGRPOOQACLXJJ-QFIPXVFZSA-N 425.623 5.674 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)cc1 8440056 XYTOAEIONOKMSG-UHFFFAOYSA-N 441.622 6.350 0 40 IKAB C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 8708523 KKGGOYXNUXPYGN-HNNXBMFYSA-N 438.582 5.222 0 40 IKAB C[C@H](NC(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C1CCCC1)c1ccccc1 8777265 IXSHXMLFFQXTMJ-HNNXBMFYSA-N 441.984 5.135 0 40 IKAB Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1c(Cl)cccc1Cl 8781509 QZHBDRFZNPIKFQ-ZHACJKMWSA-N 433.364 5.471 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828297 YWTPVMRKSUAUIY-HXUWFJFHSA-N 443.522 5.392 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2cccnc2)cc1 9193015 CHXUUZWXXVSHNQ-HVIPQOSHSA-N 449.535 6.211 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc12 9382272 KTIMHYAYLVEEQF-UHFFFAOYSA-N 432.336 5.001 0 40 IKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)C[S@](=O)C3)CC1 9413425 YJFUMOKBKNJOIJ-KUHNRFIWSA-N 434.005 5.223 0 40 IKAB O=C(/C=C/c1ccc(Br)s1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 9549666 BCHIZBCHUJSGTP-YXMGTMDOSA-N 434.355 5.049 0 40 IKAB C[C@@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(=O)Nc1ccccc1 9570694 CARBUIZCQBOXST-QGZVFWFLSA-N 448.979 5.631 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(OC)cc1 10035381 RATRTLPDSFQTGS-DEOSSOPVSA-N 425.488 5.034 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(OCc2ccccc2)cc1 10120031 GHQYZOWPEUIUJZ-UHFFFAOYSA-N 434.495 6.250 0 40 IKAB CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccc(OC)c3OC)nc12 10187563 SAYJSVMCYLRZSU-UHFFFAOYSA-N 433.533 5.118 0 40 IKAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 10272277 AHQGBTJUQBJWCN-WQELVGMLSA-N 436.592 6.107 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)cc2Cl)ccc1NS(=O)(=O)c1ccccc1 10327827 SALCQUMZLHHDDQ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC1(C)CN=C(N(C(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(F)c(F)c2)S1 12402434 GCSZZXQHJXJOBF-UHFFFAOYSA-N 429.414 5.904 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 12711589 LXEVUERRMQKLHT-UHFFFAOYSA-N 448.975 6.118 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2sc(-c3ccco3)nc2-c2ccccc2)CC1 12789347 IMEZPPJCDUPXPQ-UHFFFAOYSA-N 429.545 5.341 0 40 IKAB O=C(NCc1ccc(-c2ccc(F)cc2)o1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 13001027 WESCGKXDAZVTII-UHFFFAOYSA-N 447.363 5.359 0 40 IKAB Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)c1 13041152 DGLQNVGNGNFEHQ-KRWDZBQOSA-N 447.387 6.251 0 40 IKAB C[C@@H]1CCc2[nH]c3ccc(C(=O)Oc4ccc5c(C(F)(F)F)cc(=O)oc5c4)cc3c2C1 13097572 PQZIWNBHOWARDT-GFCCVEGCSA-N 441.405 5.637 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)cc3C)[C@@H]2c2ccccc2)cc1 13119635 BWELKUYWTJPBDZ-BVAGGSTKSA-N 428.532 5.435 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cc4c(C)nn(Cc5ccccc5)c4s3)sc2c1 13148695 QGKTXPGGLJIQRY-UHFFFAOYSA-N 448.573 5.715 0 40 IKAB Cc1cc(NC(=O)c2cccc(Oc3ccc4c(c3)OCO4)n2)n(-c2ccc(Cl)cc2)n1 13150201 IGRYEBNJVJWLNR-UHFFFAOYSA-N 448.866 5.002 0 40 IKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1nccnc1-c1nc2ccccc2s1 13164402 URMAPUOLGPVROD-UHFFFAOYSA-N 430.489 5.047 0 40 IKAB CCSc1nnc(NC(=O)c2ccccc2CSc2nc3ccccc3o2)s1 14740155 XXUZSRVYCKUTLX-UHFFFAOYSA-N 428.564 5.336 0 40 IKAB Cc1cccn2c(NC(=O)CCc3ncc(-c4ccccc4F)o3)c(-c3ccccc3)nc12 14780162 TVZHTARRGKEHTH-UHFFFAOYSA-N 440.478 5.675 0 40 IKAB CC(C)(CC12CC3CC(CC(C3)C1)C2)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 15721750 WCCIXRYSJDUEOF-ZYTNRUGMSA-N 438.568 5.275 0 40 IKAB Cc1cccn2c(=O)cc(COc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3)nc12 15865427 HIBOBULZWXBVHX-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1Cl 16610804 GUYJYODRJZFIAR-MRXNPFEDSA-N 448.950 7.313 0 40 IKAB Cc1ccc(-c2nn(Cn3nc(C)c(Cl)c3C)c(-c3ccc(C)cc3)c2Cl)cc1 17094330 NXFWIZJUTOREDQ-UHFFFAOYSA-N 425.363 6.460 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)c1 17098532 FHNLWWVVVXRHFF-UHFFFAOYSA-N 433.558 5.413 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)NCc1ccccc1Cl 18588836 CAWPIHKVQHKBDN-AWEZNQCLSA-N 429.973 5.485 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 19644997 QVNDBWSOGXTJPU-QGZVFWFLSA-N 446.572 6.503 0 40 IKAB Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccccc4Cl)no3)n2)cc1 19816299 SWJBGUVLZKJQRF-UHFFFAOYSA-N 438.940 5.783 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(Cl)ccc2OC)sc2c1CC[C@@H](C(C)(C)C)C2 20467906 OPDJXSREKVLFPY-GFCCVEGCSA-N 435.973 5.600 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(C[C@@H](C)c2ccccc2)CO4)cc1 20610010 AGQUCBAWQAMFJI-GOSISDBHSA-N 441.527 5.733 0 40 IKAB biogenic COc1ccc(NC(=O)[C@@H]2CC(O)=Nc3cc(-c4ccc(Cl)cc4)nn32)cc1Cl 20725466 OXEVLQRRHLDKRU-INIZCTEOSA-N 431.279 5.037 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 20767110 DPPVWSOIEQSGAE-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 21580421 ARRNYXJNVMLESH-UHFFFAOYSA-N 442.302 5.806 0 40 IKAB Cc1c(C)n(-c2ccc(F)cc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 21801699 SYZYNHAXWCFCID-UHFFFAOYSA-N 444.495 5.258 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22053414 OARNRXCGTMLGSG-UHFFFAOYSA-N 425.332 6.115 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C)c2cccc(Cl)c2C)cc1 22277754 PZNGQNNFSGWZFD-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1)C1=CCCC1 24700946 LKLBWUDVBLCYFO-UHFFFAOYSA-N 440.613 5.467 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@H]1[C@H](C)CCCC(C)C 25549053 VIXDHGDNWWEKMR-DDCZRDCQSA-N 430.632 8.203 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccccc2Br)c2c[nH]c3ccccc23)cc1 27746127 JKSQNHAUMGNWQN-FQEVSTJZSA-N 449.348 5.501 0 40 IKAB Nc1ccc(-c2ccc(N3C(=O)[C@H]4C5c6ccccc6C(c6ccccc65)[C@@H]4C3=O)cc2)cc1 28294422 ZMGHZLREOHCVDQ-PAIGMYNKSA-N 442.518 5.332 0 40 IKAB O=C1CSc2ccc(C(=O)Nc3ncc(Cc4cccc(C(F)(F)F)c4)s3)cc2N1 29793788 IUXXTRMJTYPLCD-UHFFFAOYSA-N 449.479 5.049 0 40 IKAB Cc1cc2occ(CC(=O)Nc3ccc(NS(C)(=O)=O)c(Cl)c3)c2cc1C(C)C 32003834 WBJFJXVSSZKNIX-UHFFFAOYSA-N 434.945 5.071 0 40 IKAB CCCCC/C=C/C/C=C/C/C=C\C/C=C\CCCC(=O)NCc1ccc(O)c(OC)c1 33902204 QVLMCRFQGHWOPM-JWDLLYTKSA-N 439.640 7.163 0 40 IKAB COc1cc(C(=O)Nc2ccccc2C(F)(F)F)cc(Cl)c1OCc1ccc(C)cc1 35085240 GRCGWJRARWDVES-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB Cc1ccc([C@@H](NC(=O)CN(Cc2cccs2)C[C@H]2CCCO2)c2cccs2)cc1 36398843 YXCSJRYPCIVNJA-HYBUGGRVSA-N 440.634 5.005 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501526 BRECSKYATRPKJT-UHFFFAOYSA-N 441.384 5.260 0 40 IKAB Cc1nc(Sc2nnc(-c3ccoc3C)n2C)c2c(-c3cccs3)csc2n1 40020240 MORXAQRJMGPPLT-UHFFFAOYSA-N 425.564 5.576 0 40 IKAB CCOc1ccc(Nc2cc(C(=O)N3CCC(C)CC3)nc3cc(OC)c(OC)cc23)cc1 44170100 MGKIZTIWWPVVHX-UHFFFAOYSA-N 449.551 5.266 0 40 IKAB Cc1ccccc1OC[C@H](C)NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44852577 FJVHGOKGXJLQKW-KRWDZBQOSA-N 435.395 5.098 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3c(F)cccc3Cl)CC1)CC(C)(C)O2 44855248 UIZCETYSAHVXGJ-QFIPXVFZSA-N 444.978 5.418 0 40 IKAB CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3ccc(F)cc3nc2C)cn1 48302001 PYIORPHAGQQRML-UHFFFAOYSA-N 431.467 5.198 0 40 IKAB O=C(CCc1nc(-c2ccco2)no1)N(CCc1ccccc1)c1nc2ccccc2s1 48312504 CFLPLCRLMMUKSW-UHFFFAOYSA-N 444.516 5.148 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CNc1cc(Cl)ccc1N1CCCCC1 57574272 CPYUFSVOCWVIPM-INIZCTEOSA-N 443.016 5.572 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1CCc1ccccc1 67259316 IBNZMJFOZUZGTM-UHFFFAOYSA-N 440.490 5.950 0 40 IKAB Brc1ccc(C2(c3nnc(Cc4ccc5ccccc5c4)o3)CCOCC2)cc1 71889955 VZJMXBGWFXUGNE-UHFFFAOYSA-N 449.348 5.673 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O)cc2F)cc1 72285149 ZEMVITPHVBFUKN-HOTGVXAUSA-N 437.602 5.053 0 40 IKAB Clc1ccc(COc2ccccc2CNc2ccc(Cl)cc2Cl)c(Cl)c1 106970782 HIEWDRFGIAJODK-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)CCC(F)(F)F)CC[C@H]4[C@@H]3CC[C@@H]2C1 118933514 FSIYIALQTPKKEU-JGDBJFFBSA-N 442.562 6.489 0 40 IKAB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccccc1 214045983 GWVVSFSTVVTRIQ-HAVVHWLPSA-N 431.513 5.381 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 222524748 VUPMHXJZEAMIOO-LJQANCHMSA-N 434.967 5.025 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 222631852 XVZRKALMNTYTBO-CFGAKRJMSA-N 430.360 6.238 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750023 MNMKRPYXRRSVPF-NRFANRHFSA-N 440.653 5.177 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 223134287 OIXOKQXDIFXCMA-FQEVSTJZSA-N 433.017 5.154 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223758309 LZZJIRMJRDAROR-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccco2)cc1 223792336 KLUQJBOUYWBOIY-BJKOFHAPSA-N 444.560 5.100 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccccc2)o1 224444195 UPCRRKBBOINMPL-PKTZIBPZSA-N 447.560 6.142 0 40 IKAB CCOc1ccc(C(=O)NC2CCCCCCC2)cc1COc1ccc(Cl)c(C)c1 224549484 JQKBZCITQYIERF-UHFFFAOYSA-N 429.988 6.469 0 40 IKAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1C 224866559 VHNKOSYJXRABHR-RTWAWAEBSA-N 426.973 5.056 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225676744 FFKXHVRLUPREED-LBPRGKRZSA-N 431.332 5.083 0 40 IKAB CCOC(=O)c1cc(Br)c(OC(=O)c2cccc3ccccc23)c(OCC)c1 226364791 KZJAVAXTDIPUGS-UHFFFAOYSA-N 443.293 5.397 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 245377553 MNDJWAKEJGFTBX-WIHVIGOGSA-N 427.931 5.891 0 40 IKAB Cc1cc(CCCC(=O)N2CCC(c3cncc(Nc4ncccc4C)n3)CC2)ccc1F 257275329 NOWPEANIJWIPKD-UHFFFAOYSA-N 447.558 5.100 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCC3CCCC3)CCOCC2)cc1 257310241 UEIOUGVFCSCKMG-UHFFFAOYSA-N 439.571 5.537 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)NCCSCc1c(F)cccc1Cl 408548734 UFQOQLVADVGNEM-UHFFFAOYSA-N 436.376 5.554 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3)c(Cl)c2)N1c1ccc(Cl)cc1 408557549 OOKRSJRWLALGLM-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)c(C)c2)cc1 408697551 HRIBDYDXWVXONI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)c(OC)c1 408814576 VTUCCLWFGFUEOP-ITVFJIHRSA-N 437.585 5.758 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1cc(Br)c(Sc2ccccc2)o1 409099567 UFFUPMDBKMEBFG-BOPFTXTBSA-N 430.348 6.279 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Cl)cc(Cl)c1OCc1ccccc1Cl 409120553 ZZZIGDJIIKNVIZ-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1Cl 409184058 WISDMXRZAMTKGK-ZPTXYVIGSA-N 442.990 7.197 0 40 IKAB CCCCCNC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1 409333380 OTDMFMSKGXEMES-UHFFFAOYSA-N 436.577 5.002 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Br)cc2C(C)C)nnc1-c1ccco1 409340020 OUMQHLHFELKXEZ-UHFFFAOYSA-N 449.374 5.175 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)c(C)c1 409376038 SOJFSHAFLHOAAC-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CC(C)c1ccc(OC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@H]2C(=O)O)cc1 585265931 YCEBUXBOPWNWIK-DWQJTFDBSA-N 444.955 5.860 0 40 IKAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2ccccc2F)CC1 1615528656 ADFVQPSCVLLJKO-MHZLTWQESA-N 443.566 5.147 0 40 IKAB CCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OC(=O)COc3ccccc3)cc12 708542 HGCLWZSBEKFXCH-UHFFFAOYSA-N 443.499 5.159 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@H](C)CCC[C@H]3C)n2)cc1 890648 JOMMXMBPNVRQMV-ZIAGYGMSSA-N 439.503 5.053 0 40 IKAB COc1ccc(Oc2coc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)cc1 957169 WCVFBRWPGXUMNV-UHFFFAOYSA-N 426.827 5.965 0 40 IKAB biogenic CCCCCCOC(=O)c1c(N)n(-c2ccc(C(C)=O)cc2)c2nc3ccccc3nc12 2394071 AHXUDZQWHGUOOP-UHFFFAOYSA-N 430.508 5.096 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2399629 SCOKLZMANQWSPK-QFIPXVFZSA-N 433.891 5.908 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)cc1)N(c1nc(C)c(C)s1)C3=O 2408138 GQFFCXXIUPXGCV-IBGZPJMESA-N 436.920 5.578 0 40 IKAB Cc1ccc(NC(=O)[C@H](CC(C)C)NC(=O)c2ccc(Cl)cc2Cl)cc1Cl 3326780 HHNXQMBDTBWZSK-SFHVURJKSA-N 427.759 5.738 0 40 IKAB O=C(O)/C(=C\c1ccc(Br)cc1)Sc1nnc(-c2ccccc2Cl)o1 3377736 ORZOFGRJZPXEJE-NTEUORMPSA-N 437.702 5.370 0 40 IKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CCCO2)c1 3412719 UJFHQIXMRULNFM-IBGZPJMESA-N 441.984 5.369 0 40 IKAB CC[C@@H](c1nnc(SCC(=O)c2ccc(Cl)s2)n1Cc1ccccc1)N(C)C 3551388 DGCOOCMDJLGKEY-HNNXBMFYSA-N 435.018 5.029 0 40 IKAB N=C1S/C(=C\c2ccc(-c3ccccc3F)o2)C(=O)N1c1ccccc1C(F)(F)F 8451719 FYZWIJIMUIVUQW-OVWOPLSRSA-N 432.398 6.160 0 40 IKAB Cc1ccc(-n2nc(C)c([C@@H]3C=C[C@@H](NC(=O)NCc4ccccc4)C3)c2C)cc1Cl 8636121 FJYKMOLHFBLKRQ-NHCUHLMSSA-N 434.971 5.362 0 40 IKAB biogenic,in-vitro Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)c1 8752972 IOXCBEIXAFRUCY-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB COc1cccc2c1O[C@@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@@H]21 9043611 VJYHOXGJQWDJRY-OZXSUGGESA-N 446.978 6.888 0 40 IKAB CCC(=O)N(c1ccccc1)[C@@H]1C[C@@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 9190029 LEGIQMMIBHNQFE-NTKDMRAZSA-N 428.532 5.619 0 40 IKAB COc1ccccc1[C@@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308642 MGLLAYOEPRNALP-CTNGQTDRSA-N 434.337 5.954 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccccc2F)N1CCc1ccccc1 9347714 IPAUJSYFUGGXLI-JOCHJYFZSA-N 433.866 5.373 0 40 IKAB CC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccc(Cl)cc4)no3)c(=O)oc12 9431195 QMRBGAZOPSCERR-UHFFFAOYSA-N 438.867 5.386 0 40 IKAB COc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 9433262 LGNTZQIHXXXLLH-GOTSBHOMSA-N 434.561 5.332 0 40 IKAB C=C1c2ccccc2C(=O)N1CC(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 9515357 JLHIJOHEHIJZPH-UHFFFAOYSA-N 427.485 5.154 0 40 IKAB CCOc1cccc2sc(N(Cc3cccnc3)C(=O)c3ccc(Cl)s3)nc12 9829710 MBSMKVZUVSEKIU-UHFFFAOYSA-N 429.954 5.652 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)CSc1ccccc1F)CC2 9984226 WGGWFZQQOGGDIL-RUZDIDTESA-N 437.536 5.109 0 40 IKAB COCCn1c(SCc2ncc(-c3ccc(F)cc3)o2)nnc1-c1ccc(Cl)cc1 10029576 UFHCDDDAZURZNK-UHFFFAOYSA-N 444.919 5.331 0 40 IKAB CCc1cc2c(=O)c(-c3nc(C)cs3)c(N)oc2cc1OCc1ccc(Cl)cc1 11867292 PVFLLZJFWUATRZ-UHFFFAOYSA-N 426.925 5.602 0 40 IKAB O=C(Nc1ccccc1N1CCCC1=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12682655 BUXIRIXJWYPVPO-UHFFFAOYSA-N 440.478 5.058 0 40 IKAB CCOc1ccc(N(C(=O)Cc2c(F)cccc2Cl)c2nc3ccccc3s2)cc1 12692575 MOXVCFUWGIDIDO-UHFFFAOYSA-N 440.927 6.395 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1C(=O)OCC(=O)c1cc(C)n(C(C)C)c1C 13038136 SFHHWVXMPFFZAH-UHFFFAOYSA-N 431.895 5.012 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)nc3ccccc23)cc1 13095960 TXNZFDIRCJGYDT-UHFFFAOYSA-N 442.562 7.945 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 15947473 WDINJFCEZYIXJT-GIGQVBGESA-N 433.360 6.869 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1oc2ccccc2c1C 16347674 GSHTUMFLEFGABT-UHFFFAOYSA-N 440.528 5.720 0 40 IKAB CCn1c(SCc2cccc(Br)c2)nc2sc3c(c2c1=O)CCCC3 16755503 WWJNELUHOZUALL-UHFFFAOYSA-N 435.412 5.412 0 40 IKAB O=C(CN(C1=NCCCCC1)c1ccc(OC(F)F)cc1)c1ccc(OC(F)F)cc1 16769182 QBUZDECZIDQYKX-UHFFFAOYSA-N 438.421 5.551 0 40 IKAB Cc1cc(C)c(NC(=O)c2nnn(Cc3nc(-c4cccc(Cl)c4)oc3C)c2C)c(C)c1 16994157 POZRPIBISJLWHE-UHFFFAOYSA-N 449.942 5.429 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H]([C@H]1CCCN(C(=O)[C@@H]3CC=CCC3)C1)N2 19083950 FPCRSUUEJYLAIR-VUHPKUFZSA-N 438.538 5.063 0 40 IKAB CCOc1cc2c3c(c1)[C@]1(SCC(=O)N1c1ccc(CC)cc1)C(=O)N3C(C)(C)C=C2C 19647846 OGHVWESYYZKRCO-SANMLTNESA-N 448.588 5.123 0 40 IKAB CC(=O)Nc1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 19929223 COSSDSYTSSAXQK-UHFFFAOYSA-N 444.516 5.152 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c(Cl)c1 20105088 RLOHIABIWAPTDC-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20152906 VLLWXWBUZPBADR-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB COc1cccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770795 OUXACDDJWBDHJA-RUZDIDTESA-N 442.584 6.827 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)c2ccccc2n1C(=O)c1ccc(F)cc1 28535413 KWWXPNRINWPGLD-UHFFFAOYSA-N 441.384 5.322 0 40 IKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2cc(Br)ccc2Cl)c1 33616293 FLFHXMHLDSHPLH-UHFFFAOYSA-N 427.751 5.058 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl 35047591 KBOJCECEPHHEFJ-OSMZGAPFSA-N 436.638 5.312 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC(c2nnc(-c3ccco3)o2)CC1 35597708 SRORGPAJWOMWSI-UHFFFAOYSA-N 428.492 5.008 0 40 IKAB O=C(c1c(F)cccc1Cl)N1CCC(Cn2c(C(F)(F)F)nc3ccccc32)CC1 38534164 UVRJTLISSYQGIB-UHFFFAOYSA-N 439.840 5.400 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(Oc2ccccc2)cc1 38700031 VFTBTEBOBHDESF-UHFFFAOYSA-N 448.522 6.324 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(Br)cc2)cc1 40485566 FGGWMTUXTFJXND-HSZRJFAPSA-N 448.360 5.853 0 40 IKAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(CCCc1ccccc1)C3 54313349 VDJDHGKSALUPKX-UHFFFAOYSA-N 441.527 5.562 0 40 IKAB biogenic COc1ccc(-c2cnc(CCC(=O)N(Cc3ccccc3)Cc3ccccc3)o2)cc1 58256492 WLCKCIFETXCCKL-UHFFFAOYSA-N 426.516 5.512 0 40 IKAB Cc1cc(Br)cc2sc(NC(=O)C3(c4ccccc4)CCOCC3)nc12 61992276 VMHUYDKDPXAXKY-UHFFFAOYSA-N 431.355 5.054 0 40 IKAB CC(C)(C)OC(=O)Cc1ccccc1NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 78951101 JUGPDZLEHCMYIT-MDZDMXLPSA-N 443.927 5.037 0 40 IKAB COc1ccc([C@@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c2ccccc12 96116786 VSDKNURJXFKBEG-BTYIYWSLSA-N 437.565 5.354 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(C)o5)cc34)cs2)cc1 96154503 SSKVEZZRHKHHQD-UHFFFAOYSA-N 429.501 5.758 0 40 IKAB COc1ccc(-c2nc(CC(=O)N[C@H]3CCCc4c3[nH]c3ccccc43)cs2)cc1OC 96223479 MQRABQZGSFDYEE-FQEVSTJZSA-N 447.560 5.045 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H]3c4cc(Br)ccc4O[C@@]2(C)[C@@H]3C)cc1 100889572 CDYJOPUBMFPEPU-LIUKBUMOSA-N 433.371 5.028 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N/c2cccc(C)c2)c2c(C)oc(C)c12 101283135 RPPPXYHBFQRXEY-SLMZUGIISA-N 427.500 6.385 0 40 IKAB Cc1cc2c(cc1C)N[C@H](c1cccc(Oc3ccccc3)c1)C1=C(O)CC(C)(C)CC1=N2 102858305 FHHJRYBHDMQRIE-MUUNZHRXSA-N 438.571 7.967 0 40 IKAB Cn1c(=O)c(C2=Nc3ccccc3N[C@H](c3ccc(Cl)cc3)C2)c(O)c2ccccc21 104827578 GUYJHLJENAPMJB-FQEVSTJZSA-N 429.907 5.575 0 40 IKAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)cc1 106937318 PLPOQLSFCNESQK-QPPBQGQZSA-N 447.332 5.510 0 40 IKAB O=C(Nc1ccccc1Br)c1ccc(CSc2ccc(Cl)cc2)cc1 147218267 AONSAGKKGUEPDM-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1c(F)cccc1F 169527662 SSILIVIEHFXVKW-QXVOXHNYSA-N 439.461 5.388 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 222537643 FPIMEBVJLXHSBG-HSZRJFAPSA-N 445.003 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1c(Cl)cccc1Cl 223141152 FGPNUEWZFRPPBB-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223499370 MSZLBOZWKWGOMB-NRFANRHFSA-N 449.422 5.648 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)cc1 224212221 ARBJCSIHFNWXGS-DQEYMECFSA-N 440.572 5.366 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 225034224 FAKNLDJLTWFWNB-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225346337 YGIOJLHGDDYXOR-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccccc1 225495185 FPHDMLNCFMGJEL-NFBKMPQASA-N 426.626 5.199 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)c2ccccc12 225919929 XBLGABPTJXOWRB-UHFFFAOYSA-N 437.511 5.704 0 40 IKAB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)O[C@@H]1CCC[C@@H](C)C1 226358115 DONFBPZWLZLMAR-GDBMZVCRSA-N 426.896 5.858 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccncc2)CCN(CCCc2ccccc2)CC1 257222074 DRTRLWMHJDLVHR-UHFFFAOYSA-N 441.619 5.094 0 40 IKAB CCC(C)(C)c1ccc(OCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1 257297750 RIRPCFAXJMSKFM-UHFFFAOYSA-N 435.539 6.976 0 40 IKAB CCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccc(C)cc1 408562333 OXVNDLDWDCZIRJ-ZIADKAODSA-N 440.612 6.367 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408637078 XAKNNPRJMBXBQP-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccc(Cl)cc3)C2)ccc(Br)c1Cl 408647362 XAKDKNPKUSSOLA-LLVKDONJSA-N 442.140 5.056 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccccc2OCc2ccc(Br)cc2)C1=O 409075297 YMZZLBKIMRZYNL-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1CCc1ccccc1 409218208 ZGYDLWCGQYETIX-LYBHJNIJSA-N 445.540 5.423 0 40 IKAB COc1cccc(CC[C@@H]2O[C@@H]3c4cc(Cl)ccc4OC(C)(C)[C@H]3C[C@@H]2C(=O)O)c1 585264821 PLENSTZBNCTKRD-BPBCIEFSSA-N 430.928 5.299 0 40 IKAB CCN(CC)c1ccc2cc(-c3nnc(-c4ccc(-c5ccccc5)cc4)o3)c(=O)oc2c1 1889303092 LSYIPDYYYNGLRM-UHFFFAOYSA-N 437.499 6.023 0 40 IKAB O=C1c2cccc3c(Br)ccc(c23)C(=O)N1c1cccc(Br)c1 678604 WQCKZUVRVSVBIG-UHFFFAOYSA-N 431.083 5.165 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 924839 HMSXTBWSNQGTGY-PZJWPPBQSA-N 435.593 5.465 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](COc2ccccc2)O[C@H](c2ccc(Cl)cc2Cl)O1 1027017 CFOHICJDVBLLHQ-CVDCTZTESA-N 444.314 5.544 0 40 IKAB COc1ccc2c(c1)Cc1cc(NC(=O)c3ccccc3-c3ccccc3C(=O)O)ccc1-2 1717016 RMWFLJABORPTNC-UHFFFAOYSA-N 435.479 5.884 0 40 IKAB CC(C)Oc1ccc(-c2nc(Oc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2372908 NTKIBSPICWXENS-UHFFFAOYSA-N 425.315 7.183 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccs1 2376641 URYBELGSPAHYQV-UHFFFAOYSA-N 425.560 5.160 0 40 IKAB Cc1ccc(C)c(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(C)ccc2C)c1 2426094 VPGHOXPAUPNKHU-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB C[C@@H](OC(=O)Cc1ccc(-c2ccccc2)cc1)C(=O)Nc1cccc(C(F)(F)F)c1 2633596 MMKMFRUCOQEZRP-MRXNPFEDSA-N 427.422 5.485 0 40 IKAB CCOC(=O)c1sc(NC(=O)Nc2cccc3ccccc23)c(C(=O)OCC)c1C 3098825 DRTDPSLNPLAFRI-UHFFFAOYSA-N 426.494 5.207 0 40 IKAB Cc1ccc(NC(=O)c2sc(Nc3c(F)cccc3F)nc2-c2ccccc2)cc1C 3253433 NWMBSEFNPHZLRT-UHFFFAOYSA-N 435.499 6.701 0 40 IKAB Cc1cccc(C)c1OCC(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655424 QREWFBVACJLSJP-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB CC(C)C[C@H](C)OC(=O)CC(CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 4403555 XBNWCMUBZMWBGY-UFYCRDLUSA-N 428.610 5.316 0 40 IKAB CCc1ccccc1N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928780 KHNRPIHLXRMZKI-NRFANRHFSA-N 427.544 5.533 0 40 IKAB CSc1nc(SC)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2n1 8386921 QRCLTEPWHRXBLK-UHFFFAOYSA-N 437.640 7.079 0 40 IKAB Fc1ccc(C2=NN3[C@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717698 QHXLVYPYKRNMER-RUZDIDTESA-N 427.523 5.362 0 40 IKAB COc1ccccc1CNC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 8855516 UDPNSAIXDWSRPZ-QGZVFWFLSA-N 429.545 5.102 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CN(C(=O)c1ccc(Cl)cc1)C1CCCCC1 8892289 HWXLJWZYXUDBHW-UHFFFAOYSA-N 435.351 5.416 0 40 IKAB COc1cc(C)c(NC(=O)c2cn(-c3ccc(F)cc3)nc2-c2cccc(C)c2)cc1OC 8981164 PKMQLXIHYCZAFO-UHFFFAOYSA-N 445.494 5.565 0 40 IKAB CSCC[C@@H](NC(=O)/C=C/c1ccccc1)c1nc2ccccc2n1Cc1ccccc1 9057703 PNHJBKYKRCQHBJ-GQRCBVMOSA-N 441.600 5.708 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)cc1Br 9158904 FVAQXQHMGOSKMN-LAUBAEHRSA-N 441.350 5.762 0 40 IKAB Cc1ccc(Nc2c(-c3c(C)nn(-c4ccccc4)c3C)nc3ccc(Cl)cn23)cc1C 9210966 UNCKQVUERWPTCG-UHFFFAOYSA-N 441.966 6.818 0 40 IKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 9278563 ZNTHWWLBNAANDM-UHFFFAOYSA-N 449.479 5.486 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2)c1ccc(Cl)cc1 9347233 XTEIMEQDOAOEDA-UHFFFAOYSA-N 447.947 6.317 0 40 IKAB O=C(Nc1nnc(SCc2cccc(C(F)(F)F)c2)s1)c1ccccc1Cl 9366756 GBHSLAKVDFSYQA-UHFFFAOYSA-N 429.876 5.755 0 40 IKAB CCCCc1ccc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)cc1 9394333 MREVMKNATXZPAZ-UHFFFAOYSA-N 428.601 6.763 0 40 IKAB COc1cccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3Cl)s2)c1 9600049 GOJHJNZZLBPVLV-UHFFFAOYSA-N 426.350 5.398 0 40 IKAB COc1cccc(CNC(=O)CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)c1 9635093 GFYCVIUBLKJKSD-UHFFFAOYSA-N 441.603 5.284 0 40 IKAB O=C(CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1cccs1 9638940 LKGJBDYGVNALFJ-UHFFFAOYSA-N 443.981 6.057 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1 9665072 JEBPKAYMDZENPF-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB Cc1nc(-c2cccc(NC(=O)C3CCN(C(=O)/C=C/c4ccccc4)CC3)c2)cs1 9671680 NEAXRWOHZQHJPP-ZHACJKMWSA-N 431.561 5.009 0 40 IKAB Cc1ccn2cc(-c3ccc(NC(=O)C4c5ccccc5Oc5ccccc54)cc3)nc2c1 10272027 DKOQZZPFJRSKRE-UHFFFAOYSA-N 431.495 6.186 0 40 IKAB CCn1c(C)cc(C(=O)COC(=O)c2ccccc2SCc2csc(C)n2)c1C 11596672 HTEUHAOLYONVNB-UHFFFAOYSA-N 428.579 5.222 0 40 IKAB O=C1/C(=C\Nc2cccc3c2CCCC3)c2ccccc2C(=O)N1c1ccccc1Cl 12311934 CRDOSEJMSWVHOR-PGMHBOJBSA-N 428.919 5.859 0 40 IKAB CCCCOc1ccc(C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)cc1OCC 12682793 UQIGEBGVZOLEHL-UHFFFAOYSA-N 432.492 5.918 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1sc(-c2ccccc2)nc1C 12756025 NHPAPCXRCQTRTP-UHFFFAOYSA-N 427.957 5.181 0 40 IKAB O=c1[nH]c(CN2CCC[C@H]2c2nc3ccccc3s2)nc2sc(-c3ccccc3)cc12 12769657 UNFSAKXWIKCYQR-SFHVURJKSA-N 444.585 5.598 0 40 IKAB CCOC(=O)c1cnn(-c2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C(F)(F)F 12860445 NQGSJOMVWAYGBG-UHFFFAOYSA-N 443.450 5.858 0 40 IKAB CCOc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nc2ccccc2c1=O 13009071 GFMCHSLIJMVAER-OAHLLOKOSA-N 436.537 5.144 0 40 IKAB CCOc1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13027049 FZLUQXUXNUXNJR-DEOSSOPVSA-N 432.520 5.125 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)Nc1ccccc1 13141077 HNFMRPMFKVYUHO-UHFFFAOYSA-N 432.524 5.058 0 40 IKAB Cc1nc(SCc2nnc(-c3ccccc3Br)o2)c2c(C)c(C)sc2n1 13163290 SMDCSPFDVOYOMQ-UHFFFAOYSA-N 447.383 5.721 0 40 IKAB CSc1nnc2n(Cc3ccccc3)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 13774970 RFMIPXLJBOXNHF-UHFFFAOYSA-N 442.588 5.086 0 40 IKAB Brc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 13778041 JYWZLYAXJZWTRI-XXBNENTESA-N 449.304 5.420 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3cccc(C(=O)Nc4c(C)n[nH]c4C)c3)sc2c1 14404596 KOSYXTMGVXTYAG-UHFFFAOYSA-N 438.940 5.708 0 40 IKAB Clc1ccc(COc2ccccc2CNCCc2c[nH]c3ccccc23)c(Cl)c1 16449683 WSZWOBHGCOPDTO-UHFFFAOYSA-N 425.359 6.386 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 17095179 GSLZOWLJDOERCC-UHFFFAOYSA-N 426.903 7.116 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cccc3ncccc23)CCO1 19697755 PYTNYTOEQSNCGS-QFIPXVFZSA-N 445.588 5.161 0 40 IKAB CCCCC1=C(C)/C(=C/c2ccc[nH]2)N=C1Cc1[nH]c(/C=C2/C=CC=N2)c(C)c1CCCC 20111381 SVQWEGUYCKGEFO-NLIPIICASA-N 440.635 7.520 0 40 IKAB biogenic CCCCOC(=O)c1ccc(NC(=O)c2c(C)nn(Cc3ccccc3)c2Cl)cc1 20935696 VVHMKFAIMJTOAR-UHFFFAOYSA-N 425.916 5.102 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(Br)cc1 22053453 YVJAGXBKDSIAFC-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1)Nc1ccccc1Cl 26780011 RVJCRKABPNCTDK-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CC1CCN(Cc2ccc(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)cc2)CC1 30867943 IZGHCLAYVBEGSH-UHFFFAOYSA-N 446.566 5.567 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2C)c1 36398078 IFBGBKPQHSZFRJ-UHFFFAOYSA-N 432.568 5.429 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC 36758945 PTLVOQKPJDXCLT-CYBMUJFWSA-N 428.476 5.024 0 40 IKAB O=C(O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 38528925 ZVVZCIYXWWJGCS-PKTZIBPZSA-N 431.513 5.136 0 40 IKAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833994 XPJSCSSLZUKILL-CQSZACIVSA-N 442.184 5.607 0 40 IKAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850865 AXQQQWIOGZEEGB-QFIPXVFZSA-N 445.434 5.687 0 40 IKAB CCCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)CO3 39321614 HACPEYLOTMOYFJ-UHFFFAOYSA-N 432.593 6.470 0 40 IKAB 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)N(C)C1 95911838 QFHXSIDXKCKLAC-KIMRCJMESA-N 429.689 5.264 0 40 IKAB biogenic,in-vitro COc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@@H]2c2ccco2)cc1 95946774 NKAZRGDPDDQREJ-HBNACULJSA-N 432.476 5.083 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 214821952 OJOQTXLIVZNWBD-RQZCQDPDSA-N 442.751 6.282 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222985517 JGBBAFHIRJQOEU-YADHBBJMSA-N 425.985 6.076 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1C1CCCCC1 223112402 MKEMVBKSEBNDQK-GOTSBHOMSA-N 435.618 6.131 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 223954148 YTYWHXLYQLUGQC-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1ccc(OCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1Cl 224154860 HBUOTGZWDGFPEY-UHFFFAOYSA-N 440.765 5.108 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)c1 224519207 PEUDOXLSXXDRAE-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224544949 UNDSNKSMKWDKCX-BJKOFHAPSA-N 445.519 5.666 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(OCCSc2ccccc2)cc1 224786146 DPPDMRIBNDGXDZ-UHFFFAOYSA-N 446.616 5.384 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224977283 PLMPORRMGRQQRU-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccccc1C(=O)NC1CCCCC1 225226972 HXKYLQNTPFISQY-UHFFFAOYSA-N 434.964 5.414 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 225346594 PMTIAJDYMNITIV-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225700478 IKGLHULYOOUDRS-NRFANRHFSA-N 433.017 5.154 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2Br)cc1N 226303428 HLGZLJZDZSHVGP-UHFFFAOYSA-N 439.397 6.060 0 40 IKAB Cc1cccc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)n1 257248887 JFRGZDVITKHBJR-SIKLNZKXSA-N 440.971 5.215 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Br)cc2)S1 260775273 PYWWTWRKELMWPH-VOBQZIQPSA-N 439.382 5.224 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1ccccc1F 408574857 LYQFIVINOPPBID-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2cn(C)c3ccccc23)C(=O)O)o1 408630796 BFFOKLILAXZRAH-NVMNQCDNSA-N 441.896 5.108 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)cc1 408642647 PIJNEKPQKFASII-GOSISDBHSA-N 434.923 5.741 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(I)cc1C 408677104 AIECUBOZZHCXBS-INIZCTEOSA-N 429.685 5.049 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Cl)c3)nn2-c2ccc(C)c(Cl)c2)cc1 408697037 DYKCMWXLQYSOMU-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NC3CCCCCCC3)cc2)cc1 408703314 RRTLXJYOJDMBKD-UHFFFAOYSA-N 446.638 5.076 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(Cl)c2)c2ccccc21 409119973 RNOSXZDSHPPUID-ODLFYWEKSA-N 442.317 6.619 0 40 IKAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409169752 ZESWHYGWVFGJPN-QJORRVHFSA-N 442.990 6.567 0 40 IKAB CC(C)COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccccc3Cl)C2=O)cc1 409223050 YQGHKIUOYGASHC-YBFXNURJSA-N 444.940 5.050 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc(Cl)c1O[C@@H](C)CC 409229252 MCQVOIQHYZGQOK-UZUMKDMXSA-N 428.916 5.009 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@@H]1C(=O)N(c3ccc(Cl)c(C(F)(F)F)c3)C(=O)[C@@H]21)c1ccccc1 409369499 PDEBELLZCKZYDC-RFZJPIJTSA-N 443.852 5.754 0 40 IKAB O=c1oc2ccccc2c(O)c1-c1c(-c2ccc(O)cc2)nc2ccc(C(F)(F)F)cn12 524729727 GWDRNVSZSLRZBO-UHFFFAOYSA-N 438.361 5.205 0 40 IKAB biogenic CC(Cc1ccccc1)(C1=N[C@@H]2c3ccccc3C[C@@H]2O1)C1=N[C@@H]2c3ccccc3C[C@@H]2O1 1942112083 SNOWSTWRZNRZRD-QEGGNFSNSA-N 434.539 5.425 0 40 IKAB Clc1ccc(-n2cc3c(-c4ccco4)nnc(-c4nc5ccccc5s4)c3n2)cc1 1071119 YTIKAHVMOWHXHV-UHFFFAOYSA-N 429.892 6.006 0 40 IKAB CC(=O)Nc1ccc(Nc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 1447572 XQWFXPSTRCMMND-UHFFFAOYSA-N 433.515 6.098 0 40 IKAB COc1cc(OC)cc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)c1 2209959 FXURMMQKMPJSPM-UHFFFAOYSA-N 438.531 5.950 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)C1CCCCC1 2301970 YOAAQGYVTZAEBG-CVEARBPZSA-N 440.897 5.602 0 40 IKAB Cc1oc2cc(OC(=O)c3ccccc3Cl)ccc2c(=O)c1-c1ccc(Cl)cc1 2417737 DDUHZPQSSGLJCU-UHFFFAOYSA-N 425.267 6.294 0 40 IKAB biogenic O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1cccc(OCc2ccccc2)c1 2630663 LHHDBXNHNXBUGG-UHFFFAOYSA-N 438.531 5.503 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(OC(F)F)c(OC)c1 2743572 SPTHIMNPMQVZNE-UHFFFAOYSA-N 447.459 5.454 0 40 IKAB COc1ccc(OCc2ccc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)o2)cc1 2797062 PEXBGWVHQVROGL-UHFFFAOYSA-N 432.505 5.065 0 40 IKAB COc1cnc(SCc2ccc(Cl)cc2Cl)nc1Sc1ccc(Cl)cc1 3133201 QDCWXNCMEFQIBF-UHFFFAOYSA-N 443.808 6.889 0 40 IKAB CCCCCOC(=O)c1c(NC(=O)CC)n(-c2ccc(C)cc2)c2nc3ccccc3nc12 3267750 RXYHJBSUXNMEEZ-UHFFFAOYSA-N 444.535 5.578 0 40 IKAB Fc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)cc1 3658682 SDYZMTRYTLVNML-UHFFFAOYSA-N 429.495 6.658 0 40 IKAB O=C(C[C@@H](Sc1ccc(Br)cc1)C(=O)O)c1ccc(Br)cc1 4118427 CTFMQCJXTXNQBH-OAHLLOKOSA-N 444.144 5.030 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccc(C)cc2)cc1 6406873 XVCTXDHAZRJIHB-UHFFFAOYSA-N 441.556 5.586 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1 6601768 JALKQRRLGKTKIG-SMIHKQSGSA-N 425.355 6.617 0 40 IKAB CC[C@H](C)NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)c(Cl)c1)N2 6821308 LIPPHDMICQMURW-JBCWJZNQSA-N 435.277 5.379 0 40 IKAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc(Br)c1OC 8435412 WLJDHVDSEYNHKO-UHFFFAOYSA-N 435.321 6.190 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8847691 KKYJZLXCHHMRHN-UHFFFAOYSA-N 436.515 5.369 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 9190455 RWVXDIVSBZZHTG-CYBMUJFWSA-N 442.302 5.911 0 40 IKAB CC(C)(C)c1ccc(Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 9191625 YXHQMWQYJSAGAO-HXUWFJFHSA-N 441.550 6.042 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(Cl)cc2)c1 9250127 YDKQQASHUGSOCV-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB Clc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2cccnc2)N2NC=NC2=N3)cc1Cl 9293260 IZYMSRNDGIYNOA-FGZHOGPDSA-N 448.313 5.193 0 40 IKAB CC(C)CC(=O)Nc1scc(-c2ccccc2)c1C(=O)Nc1cc(Cl)ccc1Cl 9425483 OYJLTSSYGKDYTB-UHFFFAOYSA-N 447.387 6.959 0 40 IKAB Cc1cc(N[C@@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)ccc1Br 9561402 ZQDOSOBLNAPWNP-FQEVSTJZSA-N 438.300 6.148 0 40 IKAB COCCn1c(SCC(=O)c2cc(C)c(C)cc2C)nnc1-c1ccc(Cl)cc1 9632850 GTOYTSZYMDXSTF-UHFFFAOYSA-N 429.973 5.145 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2cccc(C)c2)sc2c1CCCCC2 9781506 KMKWNHBQBOJHRB-UHFFFAOYSA-N 448.588 6.229 0 40 IKAB CC(C)(C)C(=O)NCc1ccc(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)s1 9883487 UWGDJIUBZAYKRM-UHFFFAOYSA-N 439.606 5.549 0 40 IKAB COCc1c(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)oc2ccccc12 9983065 AXWTZEFSHVTAJQ-UHFFFAOYSA-N 441.789 5.047 0 40 IKAB O=C(c1cc(Cl)c2c(c1)OCCCO2)N1CCC[C@H](c2nc3ccccc3s2)C1 10025357 GWQWWCUYBUNNON-AWEZNQCLSA-N 428.941 5.131 0 40 IKAB O=C(Cc1cccs1)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1 10060650 NMPIFHHXNSYISB-UHFFFAOYSA-N 444.379 5.291 0 40 IKAB CC(=O)N(c1nc(CSc2nccn2Cc2ccccc2)cs1)c1ccccc1F 10270828 MVBBPLUEIOYBKW-UHFFFAOYSA-N 438.553 5.504 0 40 IKAB COc1ccc(-c2c(C)c3cc(OCC(=O)c4ccccc4)ccc3oc2=O)cc1OC 11866230 DFXSZQYYPBIBGE-UHFFFAOYSA-N 430.456 5.047 0 40 IKAB biogenic CCCCN1C(=O)[C@@]2(Nc3ccccc3C(=O)N2c2ccc(Cl)cc2)c2ccccc21 12420103 UBKTWKXGFRZWRB-RUZDIDTESA-N 431.923 5.412 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccc5ccccc45)=NN23)cc1OC 12437280 VSTGRFASKVXDLM-YWEHKCAJSA-N 436.511 6.099 0 40 IKAB COCCn1c(S[C@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 12768844 YERLUOUSWYYLIK-MRXNPFEDSA-N 429.973 5.225 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)cc1 12792936 YMYCEKHJSZLCKO-UHFFFAOYSA-N 446.572 5.754 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1coc(-c2ccc(C)cc2C)n1 12796926 RYQSSRKSWCOWDT-UHFFFAOYSA-N 432.351 5.726 0 40 IKAB CN(C(=O)CSc1nnc(-c2cccc(Cl)c2)o1)C(c1ccccc1)c1ccccc1 12922906 HKUBQIQKCHKDGN-UHFFFAOYSA-N 449.963 5.730 0 40 IKAB CCOC(=O)/C=C/c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 13001419 AZSOWTPUIRHVTE-VMPITWQZSA-N 431.332 5.553 0 40 IKAB COc1ccccc1N1C[C@H](C(=O)N(c2ccccc2)c2nc3ccccc3s2)CC1=O 13109020 JZDVCZDQUAZXEW-QGZVFWFLSA-N 443.528 5.023 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 13137955 VHHNXMODWABSCX-HHHXNRCGSA-N 449.510 5.751 0 40 IKAB COc1ccc(N2C(=O)c3ccc(C(=O)O[C@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 13563245 PMZPXWIWNLLLIZ-YBVWCTEOSA-N 435.520 5.113 0 40 IKAB CC(C)c1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)C3CCCCC3)c2c1 13629681 GJSDVJWKVKIFPD-UHFFFAOYSA-N 429.516 6.848 0 40 IKAB biogenic O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2ccccc2c1 13998227 MHTQWLGQZQJDEI-SXOMAYOGSA-N 439.555 5.377 0 40 IKAB O=C1C[C@@H](c2ccc(C(F)(F)F)cc2)c2sc(C(=O)O)c(-c3ccc(F)cc3)c2N1 15082151 SGEXJAMMPHHDDU-AWEZNQCLSA-N 435.398 5.745 0 40 IKAB COc1ccc(N2C(c3ccccc3)=NN(c3ccccc3)[C@@H]2c2ccc(Cl)cc2)cc1 16216961 PBHLZEKBOQMWPC-HHHXNRCGSA-N 439.946 6.736 0 40 IKAB CN(Cc1ccc(Cl)s1)C(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 16699207 LNVWNKYTAICRJW-UHFFFAOYSA-N 426.969 5.066 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 16751679 LSAQAWFJUOQPFC-XMMPIXPASA-N 425.484 5.931 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc3oc(-c4ccccc4C)nc3c2)c(F)c1F 17096799 HFOAQEXDYLMFCL-UHFFFAOYSA-N 430.357 5.621 0 40 IKAB CCOc1ccc(Nc2nc(N3CCC[C@@H](C)C3)nc3c2cnn3-c2ccccc2)cc1 17308006 YUAWNCZXXAEFDJ-GOSISDBHSA-N 428.540 5.194 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2)cc1 18209736 JOMMXMBPNVRQMV-OKILXGFUSA-N 439.503 5.053 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)OCCCO3)n1 19691274 UVWHUYCMGMWTCM-XMMPIXPASA-N 446.522 5.264 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2cc(C)cc(C)c2)cc1 19947530 LUDBJTYROLJAIM-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccc(CSc3ccccc3)cc2)ccc1Cl 20035018 OWWXKRJOCCFWCK-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(C)c1 20453165 DONVIGZCQVTJHD-UHFFFAOYSA-N 428.532 5.377 0 40 IKAB CCN(C(=O)COc1ccc(F)cc1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991254 YKKJKHJPVDFMCY-AREMUKBSSA-N 432.495 5.333 0 40 IKAB N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)C(=O)Nc1cc(Cl)ccc1Cl 28393594 UYQSFAAUGCNTHN-LCYFTJDESA-N 428.231 5.707 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1cccnc1 29619636 SEAUDIUNRFUHNW-UHFFFAOYSA-N 427.451 5.151 0 40 IKAB CCOC(=O)c1c(C)n(C)c2ccc(OC(=O)CC(c3ccccc3)c3ccccc3)cc12 30768955 NVVDLGJZHMTZQZ-UHFFFAOYSA-N 441.527 5.791 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 30873204 IQZKRPFKGIJDTM-UHFFFAOYSA-N 428.576 5.399 0 40 IKAB COc1cc(CCC(=O)N[C@H](C)c2ccc(NC(=O)Nc3ccccc3)cc2)cc(OC)c1 32932422 KBSMQWQFGZOAHJ-GOSISDBHSA-N 447.535 5.158 0 40 IKAB Cc1ccc(-c2ccc(SCc3nc(-c4ccccc4Br)no3)nn2)cc1 33021892 NQGZRJXMASLILR-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB Cc1ccc2nc(COc3ccc(NC(=O)Nc4cccc(Cl)c4C)cc3)cc(=O)n2c1 33068194 RFKGQEFKEWVCGQ-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2)cc1OCc1ccccc1 33482021 MJGNKWVUZWMLEZ-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CCc1ccccc1NC1=NC(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)S1 35042776 VIMVOORYJHAQRU-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB Cc1c(C(=O)N(Cc2cccnc2)c2nc3c(F)cccc3s2)cnn1-c1ccccc1 36676159 XRGWOROHGLMZID-UHFFFAOYSA-N 443.507 5.172 0 40 IKAB C[C@@H]1C[C@H](N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)C2CC2)CC(C)(C)C1 40070969 KKLFOGLZDYVXNE-VGSWGCGISA-N 431.020 5.398 0 40 IKAB Cc1ccc([C@@H](NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)c2ccccc2)cc1 44841469 YKDXRUWONQTTLT-SANMLTNESA-N 429.541 5.855 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)cc1C 57315696 PYFZCXLIQQYIIV-NTCAYCPXSA-N 434.495 7.024 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64788027 MFYYFLYXIILCNI-UHFFFAOYSA-N 437.952 5.454 0 40 IKAB Cc1cc(-n2c(SCc3ccc(C(C)(C)C)cc3)nc3ccsc3c2=O)ccc1F 67257974 UQFMMFAKMWGJOC-UHFFFAOYSA-N 438.593 6.485 0 40 IKAB Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c2ccccc21 72330429 SJVXRBDLXUORKH-CLOONOSVSA-N 444.604 5.018 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN2C(=O)C(C)(C)c2ccccc2F)n1 72372723 YJEQKCIHXYPWHZ-HSZRJFAPSA-N 447.558 5.321 0 40 IKAB CCOc1ccc(-n2cc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 96324287 ILDTXIJPHUBVIK-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 106733852 CEDGPFPHOZRXEO-JAIQZWGSSA-N 449.931 5.903 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)S(C)(=O)=O)c1 113963012 DCPMBJXQMQQMNZ-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915031 QXDFHJAYYMOLSW-BDVIZXNFSA-N 436.680 7.600 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)CCCN2C(=O)c3cccc4cccc2c34)c1 219468804 RQKPDERVXCDJJF-UHFFFAOYSA-N 430.548 5.116 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 222729695 UIQCXFSJFJBVJF-LLVKDONJSA-N 448.177 5.006 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 223718141 YIDOYCHMZASEET-OAQYLSRUSA-N 449.422 5.301 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223807856 XAFAILLKOVHPTE-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224388946 RZFUDYCFZDGJGM-IAGOWNOFSA-N 434.359 5.222 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224519032 VORFQFYIPUOYTJ-HXUWFJFHSA-N 431.576 6.453 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 224605108 SJEAKBRZROYXSC-NRFANRHFSA-N 439.943 5.085 0 40 IKAB S=C(NCCCSC1CCCCC1)Nc1ccc(CSc2ccccc2)cc1 225590542 INIDCSMEORAQKI-UHFFFAOYSA-N 430.708 6.721 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F 225605591 UBAUHZRZLOPJTP-UHFFFAOYSA-N 425.525 5.463 0 40 IKAB COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)c1 257201083 AGFGSQZJYFTLMB-LJQANCHMSA-N 440.547 5.182 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 408636634 BKEURFSQPAQTMP-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 408644923 IKJZEMIZTSRYOO-UHFFFAOYSA-N 430.715 5.296 0 40 IKAB Cc1ccc(NCN2C(=O)S/C(=C/c3cccc(Br)c3)C2=O)cc1Cl 408719011 FSVMOTIZWPLTHC-LZYBPNLTSA-N 437.746 5.517 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)c3ccc(OC)c(Br)c3)sc2C)cc1 408824406 HNCCHTJZQVZEJZ-UHFFFAOYSA-N 447.354 5.541 0 40 IKAB CCOC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(-c2ccccc2)cc1 408996726 AFWSSPOHSKWNCX-XMMPIXPASA-N 427.504 5.131 0 40 IKAB Cc1ccc(Cl)cc1N(CC(=O)Nc1cccc(C)c1C)S(=O)(=O)c1ccccc1 409029080 VNXYJWNHRLFBNT-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(C(F)(F)F)c3)o2)C1=O 409055276 DNVSRFGEMUAJMI-YBEGLDIGSA-N 429.847 6.455 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nnc2-c2ccccc2)c1 409105516 KSRPEJGBGGSTAE-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 409107579 SILGQOWWSDUCMJ-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COc1ccc(NCc2ccc(OCc3cccc4ccccc34)c(Br)c2)cc1 409116470 VDJGUIOCALUTTF-UHFFFAOYSA-N 448.360 6.802 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(Cl)c1Cl 409184155 XJGHPDATNUXYPI-UHFFFAOYSA-N 434.650 5.475 0 40 IKAB Cc1nc(S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)n[nH]1 409191966 RHMPIJZLFLAVJE-JAIQZWGSSA-N 438.940 5.296 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 409261106 BERSHQAWXHLIPT-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccc1C 409409549 HWMADTLZCAJWJC-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1)CCC2)c1cccc(Br)c1 722366 XGJOGGSUSHHZKZ-UHFFFAOYSA-N 441.350 5.504 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Oc1ccc(I)cc1 726996 KJUWOVJPYHQWAP-UHFFFAOYSA-N 439.636 5.127 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1cc(I)ccc1Cl 855726 IFLUZYWOCIFCIO-UHFFFAOYSA-N 433.676 5.449 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2ccc(C)cc2C)c1C 868934 GCTARVZOCZDHOA-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C[C@H]2CCCO2)c(C)c1 885046 BIEWRPNHWVJOBH-JOCHJYFZSA-N 449.620 5.140 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccs1 1266053 RPRQFLDCJYEDDB-UHFFFAOYSA-N 429.979 5.805 0 40 IKAB C[C@H]1C(=O)N(Cc2c(F)cccc2Cl)c2ccccc2N1C(=O)c1ccc(F)cc1 1385962 MJQRQPHYLWXWOI-AWEZNQCLSA-N 426.850 5.200 0 40 IKAB Cc1cccc(C)c1NC(=O)Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21 1400794 SYHVHXUHNAXRMX-UHFFFAOYSA-N 435.980 6.238 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c1 2074099 NTBAOYWXIDPPKZ-UHFFFAOYSA-N 433.964 6.298 0 40 IKAB CCCCC(=O)N(c1cccc(F)c1)c1nc(-c2ccc(OCC)cc2)c(CC)s1 2170792 OIPFPVWZVKYODA-UHFFFAOYSA-N 426.557 6.765 0 40 IKAB Cc1cc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)ccc1Br 2229255 CIYGFSMUKSLYFD-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cc2ccccc2o1 2331457 MJASTWXBDGTHQZ-UHFFFAOYSA-N 438.870 7.300 0 40 IKAB Cc1nn(-c2ccccc2)c(NC(=O)c2ccccc2F)c(-c2ccccc2Cl)c1=O 2350202 YFWITMXVZOXKLL-UHFFFAOYSA-N 433.870 5.253 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccccc2)cc1 2364790 GGWZYRKVAWSRAB-UHFFFAOYSA-N 448.523 5.203 0 40 IKAB CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(C)cc4)cn13)CCCC2 2437240 HGJNFBMSJSMWQV-UHFFFAOYSA-N 445.994 6.513 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 2452698 JODIXSGEOAAMNP-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB CCc1ccc2oc(-c3cc(NC(=O)c4ccc5ccccc5c4)ccc3Cl)nc2c1 2744586 KJSBDSFRPGRPBH-UHFFFAOYSA-N 426.903 7.116 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)cc1 2770353 XJSMJDHFUJWYSJ-UHFFFAOYSA-N 446.816 5.387 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC(Cc4ccccc4)CC3)s2)cc1 3247984 DBJIGIZQTCASEN-UHFFFAOYSA-N 438.622 5.164 0 40 IKAB Cc1nnc(SCC(=O)Nc2cc(-c3cc(C)c(C)cc3C)nn2-c2ccccc2)s1 3370938 IKASRKNPWXWIAR-UHFFFAOYSA-N 449.605 5.355 0 40 IKAB C[C@H](NC(=O)c1ccccc1S(=O)(=O)N(C)c1ccccc1)c1ccc2ccccc2c1 3420507 SCXLBRQYHDQLSY-IBGZPJMESA-N 444.556 5.156 0 40 IKAB CC(C)(C)[C@H]1CC(C(=O)Oc2ccc(I)cc2)C[C@H](C(C)(C)C)C1 4426813 PGRQESGPGKWUSM-HOTGVXAUSA-N 442.381 6.321 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2c2ccccc2Br)cc1 8386759 SUJATHMRCGUZGF-QFIPXVFZSA-N 441.756 6.467 0 40 IKAB O=C1C[C@](/C=C/c2ccccc2)(Nc2cc(Cl)cc(Cl)c2)C(=O)N1C1CCCCC1 8453238 UCVYTLPMIOHMQG-LCJITAHGSA-N 443.374 5.949 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 8453354 NQTCSHCOVVSFKG-GFCCVEGCSA-N 441.163 5.488 0 40 IKAB COc1ccc([C@@H](CN(C)C(C)C)OC(=O)C(c2ccccc2)c2ccccc2)cc1OC 8612742 VNXGWXHCHMZQTK-AREMUKBSSA-N 447.575 5.460 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3cccs3)cc2s1 8673842 FYJPQCQDHIHIIA-UHFFFAOYSA-N 439.587 5.649 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@H]21 8789920 AJRXQQMYPFLZEZ-BXKMTCNYSA-N 444.918 5.529 0 40 IKAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](NCc1ccc(F)cc1)c1ccccc1 8825695 NKWBWVSYMOZQIA-HXUWFJFHSA-N 436.836 5.968 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccc(OC(F)F)cc4)o3)cs2)cc1 8826238 MBBIXGNLUXHBAX-UHFFFAOYSA-N 446.504 6.139 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccc(C(C)C)cc2)ccc1NC(=O)c1ccccc1Cl 8832318 MLDUSRVUPOTKSG-XNTDXEJSSA-N 448.950 6.376 0 40 IKAB COC(=O)c1ccc(N2CCC(c3cc(-c4ccc(Cl)cc4Cl)[nH]n3)CC2)cc1 8855369 DGOXVIMOLJBEOC-UHFFFAOYSA-N 430.335 5.554 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)C12CC3CC(CC(C3)C1)C2 8922564 QGEQBQYHLVNXLD-JMYRGNFHSA-N 449.978 5.250 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3c(C)c(C)cc(C)c3C)ccc1O2 8961278 WDVYPBLODJYFKS-UHFFFAOYSA-N 436.533 5.388 0 40 IKAB CC(C)Cn1c(S[C@@H](C)C(=O)N[C@H](C)c2ccccc2)nc2ccc(Cl)cc2c1=O 9091497 WUOIOSFZYSZSQG-CVEARBPZSA-N 444.000 5.064 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3cc4ccccc4o3)n2-c2ccccc2)c1 9146439 NCCJROWGIDZJJR-UHFFFAOYSA-N 425.513 5.964 0 40 IKAB Clc1ccc(-c2nnc(CN(CCOc3cc(Cl)ccc3Cl)C3CC3)o2)cc1 9253741 PSZSLBZESIAMQX-UHFFFAOYSA-N 438.742 5.740 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2F)n1Cc1ccco1 9308275 ISKZYCKRFSDHSV-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB CCn1c(SCC(=O)N[C@H](c2ccc(F)cc2)c2cccs2)nc2ccccc21 9416226 JZUWDKRWJNBICO-OAQYLSRUSA-N 425.554 5.255 0 40 IKAB Cn1ccnc1SCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 9492527 KGMIHZAIEPKRMK-HSZRJFAPSA-N 426.545 5.043 0 40 IKAB Cc1cccc(-c2nc(CC(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)cs2)c1 9512612 CATDYHIVDLNRTF-UHFFFAOYSA-N 443.576 5.285 0 40 IKAB COc1cc(C(C)=O)ccc1OCC(=O)Nc1nc(-c2ccc3ccccc3c2)cs1 9646199 RNKWTINHIWRXST-UHFFFAOYSA-N 432.501 5.192 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 9908161 GAULQINIFITMPT-XMMPIXPASA-N 438.499 5.034 0 40 IKAB Cc1cccc(OCCSc2nc3ccccc3n2CC(=O)N2CCC(C)CC2)c1C 12062284 PVFFLZYUVMERPF-UHFFFAOYSA-N 437.609 5.083 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2)cc1 12195840 PHNVJAWZPXECER-ILBGXUMGSA-N 434.923 5.990 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C(=O)c3cccc(Cl)c3)cccc2c1=O 12980045 PHZXYKRALSYELQ-MRXNPFEDSA-N 446.886 5.850 0 40 IKAB CCCN1CCN(c2nc(CSc3ccc(Cl)cc3)nc3sc(C)c(C)c23)CC1 13037927 IFQWWZHITVUYEW-UHFFFAOYSA-N 447.073 5.786 0 40 IKAB C[C@@H](SC(=S)N1CCCC1)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 13097342 PWLWDECZBCNFHI-SNVBAGLBSA-N 446.450 5.558 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@H](c2ccc(OCCC(C)C)cc2)n2c(nc3ccccc32)N1 13635054 YANDEOKPDAWITG-DEOSSOPVSA-N 433.552 5.702 0 40 IKAB COc1ccc([C@@H](NC(=O)c2ccc(OCc3c(C)noc3C)cc2)c2ccccc2)cc1 13987175 JTODAUCUKQYSJN-SANMLTNESA-N 442.515 5.398 0 40 IKAB O=C(Cc1ccc(Cl)cc1)Nc1cc(Cl)cc(Br)c1OC(F)F 14183747 RXBYFTHAQAZKQU-UHFFFAOYSA-N 425.056 5.539 0 40 IKAB O=C(Nc1ccccn1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 15835356 HYRZDDUDRTUPEI-UHFFFAOYSA-N 430.558 5.567 0 40 IKAB Fc1ccc(F)c(-n2nc3c(c2-c2ccc(Cl)c(Cl)c2)-c2ccccc2CC3)c1 16524023 VJEJRZSQATWCBC-UHFFFAOYSA-N 427.281 6.890 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccco4)cc3n2)c(C)c1 17096551 WBSVFADGBPGREV-ZRDIBKRKSA-N 429.524 5.128 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)n2)cc1OC 17103079 DKGOKMJONKNBQF-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB Cc1ccccc1-c1nc(CSc2nc3ccccc3c(=O)n2Cc2ccco2)c(C)o1 17136090 JQXZHEOATQNHIY-UHFFFAOYSA-N 443.528 5.602 0 40 IKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(Br)cc1F 19173397 DGAOHCRJFGPETB-UHFFFAOYSA-N 428.348 5.084 0 40 IKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccc(OC)c(OC)c2)C[C@@H]3c2ccco2)cc1 19638267 ZTARQAQPCKIUBT-OAQYLSRUSA-N 443.503 5.591 0 40 IKAB CCOc1cc2c3c(c1)[C@]1(SCC(=O)N1c1ccc(C)c(C)c1)C(=O)N3C(C)(C)C=C2C 19647841 SDBYCIVXGBJPKS-SANMLTNESA-N 448.588 5.177 0 40 IKAB CCN1CCC[C@@H]1CN[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 22932348 SUMBPUAQPZQJBA-YLJYHZDGSA-N 439.909 5.113 0 40 IKAB Cc1ccc(CCC2CCN(C(=O)c3ccccc3SCC(=O)NC(C)C)CC2)cc1 26655749 QIKJPDYTGWKOBX-UHFFFAOYSA-N 438.637 5.097 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(Cl)c(-c3nc4cc(Cl)ccc4o3)c2)c1 27533448 NHROFOSBZVLXJA-UHFFFAOYSA-N 441.314 6.843 0 40 IKAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2Cl)c1 31336289 CWBLVCJAXDHIQB-CYBMUJFWSA-N 435.380 5.069 0 40 IKAB O=C(COc1ccc(CNc2ccccc2)cc1Br)Nc1ccc(F)cc1 33375944 XEIYLDWPQZEXGE-UHFFFAOYSA-N 429.289 5.218 0 40 IKAB C[C@@]1(O)c2ccccc2[C@@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 35073629 FDVCVRVOUODMNO-SGTOGCSPSA-N 448.562 5.181 0 40 IKAB Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 38755553 DILQVFDRICHMOP-UHFFFAOYSA-N 429.560 6.321 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2nnc(-c3ccccc3)s2)c1)c1cccc(Cl)c1 39760885 ISVUBEXGLWUFJG-UHFFFAOYSA-N 434.908 5.363 0 40 IKAB CCOc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)c1 44848688 NSVYHMVNZHUIIT-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1Cc1ccccc1 57425533 YXKMSUYCUHLJOY-UHFFFAOYSA-N 449.601 5.361 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2Cl)[C@@H](NC(=O)c2ccc(F)c(F)c2)C1 57762989 PRLRDOQAVJOKOX-FQEVSTJZSA-N 429.898 5.307 0 40 IKAB COc1cc([C@@H](C)NC(=O)c2cc(Br)cnc2Cl)ccc1OCC(C)C 60341566 FVROXPRGDDCKME-GFCCVEGCSA-N 441.753 5.032 0 40 IKAB CN(C)c1ccc(-n2c(SCc3ccc(F)cc3Cl)nc3ccccc3c2=O)cc1 67259090 MTZDDOQSLDSXQT-UHFFFAOYSA-N 439.943 5.537 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc1OC 67294466 VAFDUNOEYOQXEE-PNHLSOANSA-N 434.879 5.588 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)cc3Cl)oc12 67295963 JTQOPSYUZMMTAY-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB COc1cc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)ccc1OCc1ccccc1F 72427728 LFVDIHVPGPAQPY-UHFFFAOYSA-N 446.478 5.307 0 40 IKAB O=C(Nc1cc2c(cc1NC(=O)c1cccs1)OCCO2)c1cccc(C(F)(F)F)c1 78974693 LISGKDOWBACCKP-UHFFFAOYSA-N 448.422 5.043 0 40 IKAB CCc1cccc(N2C(=O)N(C(=O)c3ccccc3C)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032916 IKPSHQRLFRRLSW-WNCULLNHSA-N 426.516 5.880 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@@H]4CC[C@@H]3C4)c3ccccc3n2)c1 101532344 FRBDFGGZBPEKEX-UECWXEIQSA-N 428.576 6.244 0 40 IKAB COC(=O)CC[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=C[C@@]21C 118924577 SWHWAFFISKDSIL-YIPQGILZSA-N 430.629 5.942 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222615201 CSWGDLZFKXCQKH-XXBNENTESA-N 429.004 5.037 0 40 IKAB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 222731258 HWKMTXMEDKZCRU-UHFFFAOYSA-N 426.409 5.764 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl 223277699 NAFSVUXJAPKVGC-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 223310634 QZCIFRHWRYKNLN-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)c(C)n1C1CCCCC1 223457378 GBUOEEQGWLECOW-DQEYMECFSA-N 445.636 5.573 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 223528080 OTZURBRWYFQZSN-XZOQPEGZSA-N 445.979 5.093 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 223735502 LCNLMWHAEBHNND-HSZRJFAPSA-N 445.003 5.059 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224124654 KPPOBLRFIQLDSZ-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccncc1 224156093 MRRFXWDMUDHRPK-DQEYMECFSA-N 439.588 5.120 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2C)cc1 224205523 CKRTZTPKFVJZNC-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1ccc(C)c(C)c1 224293381 LOYBEVMBABCIFY-UHFFFAOYSA-N 443.587 5.986 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc2ccccc2c1 224313102 MHLAYFOHMRSSGC-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224476118 ATMYNDULLYAODO-PKTZIBPZSA-N 449.938 6.311 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1 224538011 VEQPIXQOBHHOBW-UHFFFAOYSA-N 432.520 5.492 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 224556072 HJQUIXSYEVKSNU-XMMPIXPASA-N 440.653 5.116 0 40 IKAB CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1COc1ccc(-c2ccccc2)cc1 224559443 LCCKYOHSFNOOFQ-UHFFFAOYSA-N 444.575 5.109 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 224616427 CQXLKBBTGJOMKR-GOTSBHOMSA-N 447.947 5.878 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(Cl)c3)o2)cc1 224920168 ZTMMDOLFZUYXRL-UHFFFAOYSA-N 448.906 6.322 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C(C)C 225041391 XIWNUBUNHICXBW-JWQCQUIFSA-N 447.652 5.556 0 40 IKAB CC(C)C(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1Cl 225120162 GFVJFXXGOSLDJZ-PMACEKPBSA-N 440.956 5.100 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 225139229 LCUMSULBWHVOAV-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225558770 XZARCDJCSNNHAS-URXFXBBRSA-N 440.653 5.508 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4cccc5ncccc45)C3)c2)cc1 257200698 AENKFKMOEHSCMV-OAQYLSRUSA-N 437.543 5.634 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@@H](c4cc(Nc5nc(C)cs5)cc(C)n4)C3)c2c1 257229504 FYIQJPIOCUYJJH-QGZVFWFLSA-N 446.580 5.103 0 40 IKAB CC(C)(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)[nH]n1 257266780 MEMYPKRQELHTMR-LJQANCHMSA-N 426.948 5.307 0 40 IKAB O=C(N1CCC(Cc2cccc3cccnc23)CC1)C1(Cc2ccccc2)CCOCC1 257297458 RHHYOIHFJDIIPD-UHFFFAOYSA-N 428.576 5.055 0 40 IKAB CCOc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc1Br 260769290 LIZZUQIHXPNSLI-GDIGMMSISA-N 432.387 5.222 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(OC(C)C)cc1)c1cn(C(C)C)c3cccc(c13)N2 263586803 YDALVHZEAQLAMC-DEOSSOPVSA-N 443.547 5.210 0 40 IKAB biogenic CCCc1s/c(=N\C(=O)c2ccc(C(C)(C)C)cc2)n(CC)c1-c1ccc(Cl)cc1 408563655 WDFBWTVZMFFIAU-PNHLSOANSA-N 441.040 6.881 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)Sc1nc2ccccc2o1 408633636 LCDPDJZQHBJNJN-ZDLGFXPLSA-N 441.848 5.657 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccc(Cl)cc3C)NC2=O)ccc1OCC(C)C 408813573 NLWQHNJQYMHEKO-UHFFFAOYSA-N 445.992 5.845 0 40 IKAB CCc1ccc(N(CC(=O)Nc2ccc3ccccc3c2)S(=O)(=O)c2ccccc2)cc1 409029043 UMQZHGKRIJBCBX-UHFFFAOYSA-N 444.556 5.236 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccccc3)C2=O)cc1OCC 409226131 SYGHOHRSGRJVQX-JCMHNJIXSA-N 439.533 5.183 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1cccc(C)c1C 409362737 SREWWDDGWBHUAI-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)cc1 409380472 FDAQXEBEKXXIDX-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Clc1cccc(-c2cs/c(=N/Cc3ccccc3)n2CCc2c[nH]c3ccccc23)c1 575443017 NGGDTDDKIHYWDP-PBBVDAKRSA-N 444.003 6.695 0 40 IKAB CCc1ccc(C[C@]2(C)Cc3cc(C(=O)N(CCC(=O)O)CCC(C)C)ccc3O2)cc1 585266618 FQGMNPWDEOXEER-HHHXNRCGSA-N 437.580 5.148 0 40 IKAB CC(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCN(CC3CC3)C2)CC1 643570871 UYVHTZYYMLWJDY-UHFFFAOYSA-N 426.645 5.159 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccc(F)cc1)CO2 1848355652 ASXMWRIHTNULAG-QHCPKHFHSA-N 431.507 5.335 0 40 IKAB COc1cc(NC(=O)c2ccc(COc3cccc4ccccc34)o2)cc(OC)c1OC 800740 XVLBXFQXKZZQQW-UHFFFAOYSA-N 433.460 5.290 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 892415 MWYGBZILMDDVOA-UHFFFAOYSA-N 431.517 5.414 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)c3ccccc3)n2Cc2ccccc2)c1 916277 JPYHSWRHGLKOCZ-UHFFFAOYSA-N 429.545 5.189 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccco3)cc2c(=O)n1Cc1ccc(-c2ccccc2)cc1 930745 ILFIEBDIIDPFLB-UHFFFAOYSA-N 435.483 5.266 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(C(=O)Cc1cccs1)C1CC1 1341459 URKISQMQYDASGU-QFIPXVFZSA-N 431.001 5.125 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccc(F)cc3)cc2c1 1353185 XOMWHWIESJTKGG-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2ccccc2C(=O)N(c2ccccc2)c2ccccc2)cc1 2078155 PEDRXPKJYUDBER-UHFFFAOYSA-N 449.506 6.013 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 2093576 WCPPPSTURTXXMM-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3c(Cl)cccc3Cl)c(C)c2oc1=O 2150718 JSVHDPAQDXGRIC-UHFFFAOYSA-N 449.330 5.791 0 40 IKAB biogenic CCOc1ccc(-n2nc3c(Cl)nnc(-c4ccccc4)c3c2-c2ccccc2)cc1 2181160 OOAJYHKNPHQRBE-UHFFFAOYSA-N 426.907 6.202 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccc(F)cc4)c23)CO1 2222460 CTBAONBLGFLLDY-OAQYLSRUSA-N 448.610 5.769 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1OC 2440055 FINCHXFKXDOAMI-UHFFFAOYSA-N 434.419 5.144 0 40 IKAB biogenic C[C@H](NC(=S)NCCc1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 2567000 DKLKYCAQHYHOSF-LJQANCHMSA-N 440.505 5.390 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)c1ccc(Br)s1 2629542 XHYPRWDXMAOXGF-UHFFFAOYSA-N 442.290 5.359 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3ccc(F)c(F)c3)n2-c2ccccc2)c1 2631867 QWNXWCNRRMPCIG-UHFFFAOYSA-N 437.471 5.196 0 40 IKAB COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 2714492 ZMHDZBQKGUSROO-UHFFFAOYSA-N 437.341 5.298 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3218031 WIUCDZBVYHCLHV-UHFFFAOYSA-N 428.488 5.722 0 40 IKAB C[C@@H](Nc1oc(-c2ccccc2Cl)nc1S(=O)(=O)c1ccccc1)c1ccccc1 3265562 DCLRXALJJRZUGG-MRXNPFEDSA-N 438.936 6.001 0 40 IKAB S=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)Nc1cccc(Cl)c1 3324451 SXOJXZZMQVWRLR-UHFFFAOYSA-N 449.826 7.063 0 40 IKAB CC/C(=C(/CC)c1ccc(O[C@H]2C=CCCC2)cc1)c1ccc(O[C@H]2C=CCCC2)cc1 4775292 TTXGLJCLKHXJLQ-GLISXSIZSA-N 428.616 8.392 0 40 IKAB CSc1nc2ccc(S(=O)(=O)Nc3ccc4c(c3)oc3ccccc34)cc2s1 8439761 KRYREGOPXXAJEA-UHFFFAOYSA-N 426.544 5.718 0 40 IKAB CN[P@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2C)CC1 8617783 CMHPBWSNDXVJQX-MHZLTWQESA-N 448.718 5.484 0 40 IKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8758343 QCTJDMJBPGJCMG-HXUWFJFHSA-N 443.522 5.473 0 40 IKAB Cc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)n2C)cc1 8762385 SEUYPUFFIMCIEZ-UHFFFAOYSA-N 426.549 5.059 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C 8832001 POJATYWPAUAEJJ-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc(-c3ccccc3)cs2)c1Cl 8832045 VDJXGEXJVUFUMM-UHFFFAOYSA-N 441.767 6.405 0 40 IKAB Cc1csc(S[C@@H](C)C(=O)N2N=C(c3ccc(Cl)cc3)C[C@H]2c2ccco2)n1 8894950 PDISZDMWAJNWDT-GUYCJALGSA-N 431.970 5.556 0 40 IKAB Cc1coc(C)c1C(=O)C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21 8923702 ITMWACWCNQEDJB-HSZRJFAPSA-N 444.314 5.211 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 8928038 FBQHQKQSFUFZQW-IBGZPJMESA-N 448.375 6.122 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(CSc2nnc(-c3ccc(C)cc3)n2C)cs1 8939113 DSRANOAAGSFORG-UHFFFAOYSA-N 435.578 5.224 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(SC3=NCCS3)n2)cc1C 8951499 LFHVIKTXGOMZBJ-UHFFFAOYSA-N 436.610 5.787 0 40 IKAB Cc1ccc2nc(-c3c(-c4ccccc4)c4ccccc4[nH]c3=O)cc(-c3ccccc3)c2c1 8990076 XXDRMOSCZNZEOS-UHFFFAOYSA-N 438.530 7.386 0 40 IKAB CC(C)c1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc12 9034505 HCFQHPLPJORJFL-UHFFFAOYSA-N 440.421 5.750 0 40 IKAB COc1ccc(CCN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)cc1 9209471 CADDQPJTQQVEPJ-QHCPKHFHSA-N 445.902 5.243 0 40 IKAB CC(=O)N1N=C(c2cccc(O)c2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9420802 ZMCXFDTYDZDCFP-JOCHJYFZSA-N 428.517 5.004 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(C2CC2)n1C1CC1)c1ccccc1 9533549 SPANAFGTMMWBGB-OAQYLSRUSA-N 434.565 5.280 0 40 IKAB CCc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Br)cc4)c3c2c1 9675884 VXWFMAJNHISKLM-UHFFFAOYSA-N 428.333 6.566 0 40 IKAB Cc1nnc2sc(-c3ccc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)cc3)nn12 9846274 DGLMALOQLQGWCX-UHFFFAOYSA-N 435.896 5.327 0 40 IKAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3Cl)c3ccccc32)cc1 10059091 MDKCWVKTUXYGNO-AREMUKBSSA-N 433.935 5.471 0 40 IKAB O=C(COc1ccc(Br)cc1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120128 FPLANKIDCJIZBU-UHFFFAOYSA-N 437.293 5.199 0 40 IKAB O=C(c1cccc(Br)c1)N(Cc1ccccn1)c1nc2c(F)cccc2s1 10187581 CSYMLHJPBLOBPO-UHFFFAOYSA-N 442.313 5.440 0 40 IKAB CC[C@@H](C)n1c(S[C@H](C(N)=O)c2ccccc2)nc2sc3c(c2c1=O)CCCCC3 11424516 SBXNDTGFOCMKIO-KUHUBIRLSA-N 441.622 5.017 0 40 IKAB COc1ccc(CCNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 11867429 JTPBOERBRZNGJK-UHFFFAOYSA-N 447.531 5.055 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(Cl)cc3)=Nc3ccc(OC)cc32)cc1OCC 12485913 IFEBHIKZISZGNZ-UHFFFAOYSA-N 449.938 5.580 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3cc(C)n(C4CC4)c3C)nc3ccccc32)cc1 12546323 QRZJQFWHDXEVQI-UHFFFAOYSA-N 445.588 6.152 0 40 IKAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 12546696 UFNJNFCDMQTRTR-UHFFFAOYSA-N 448.960 6.388 0 40 IKAB O=C(Nc1ccc(Br)cc1Cl)c1ccc(Cl)c(N2CCCC2=O)c1 12913309 FUTZEHYJGIZPGC-UHFFFAOYSA-N 428.113 5.135 0 40 IKAB Cc1ccc(-c2nnc(CCC(=O)NC[C@@H]3CC4c5ccccc5C3c3ccccc34)o2)cc1 12929641 MYIBTSDOGBPPEJ-QCTGCNBBSA-N 449.554 5.391 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1Cl)C(=O)c1ccco1 13026958 XZRAEFPGGGCGHC-HSZRJFAPSA-N 436.939 5.376 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c1 14272169 FXJDTJNZMMGQPN-UHFFFAOYSA-N 448.950 6.906 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(OCC(C)C)cc1 14272751 UUKJMBFHMBQKCY-UHFFFAOYSA-N 442.563 6.139 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4C)ccc3c2C)cc1OC 15729391 YKUJPCSBUWMVLP-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic CCc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1 16841697 NGWYXCLVPYJGSQ-UHFFFAOYSA-N 430.577 5.813 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccc(C)cc3)csc2c1=O 16846181 FEHODRMWRNWZKQ-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 17098161 FUULXZYRNXNQIR-IBGZPJMESA-N 432.589 5.917 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 17100918 XWBRSPLUUNKINU-UHFFFAOYSA-N 436.939 6.151 0 40 IKAB O=C1CCC[C@H](C(Sc2ccccc2)(Sc2ccccc2)Sc2ccccc2)C1 17110539 WPDWXBXPPXADDC-FQEVSTJZSA-N 436.667 7.776 0 40 IKAB Cn1c(C(=O)NCc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)c2cc(Cl)ccc21 19894317 JJSUJSMONKJXLJ-UHFFFAOYSA-N 443.761 6.736 0 40 IKAB CC(C)C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)c1ccccc1 20112521 PBNWTYHBSFHOKQ-JOCHJYFZSA-N 449.016 5.032 0 40 IKAB Cc1cc2nc(-c3cc(NC(N)=S)c(Cl)cc3Cl)oc2c(Br)c1C 20156934 ANALJQGYNNTPJR-UHFFFAOYSA-N 445.169 5.836 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 20488247 AOUJAWCHNHKSLD-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB O=c1[nH]c(CSc2ncnc3ccccc23)nc2scc(-c3ccccc3Cl)c12 21174953 AKWKMCPBZLFUBK-UHFFFAOYSA-N 436.949 5.541 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1)C1CCCCC1 21305879 PDVBZTACGVFLET-UHFFFAOYSA-N 427.353 5.313 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(OC)c4)nc3c2)cc1 21579599 VVOVWERRCOOAQU-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB CC(C)c1ccccc1N(CC(=O)Nc1ccccc1Oc1ccccc1)S(C)(=O)=O 22399479 IYZREZAHRUPUJS-UHFFFAOYSA-N 438.549 5.007 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 22521578 QYMQRJQMDOJTPF-GOSISDBHSA-N 448.868 6.567 0 40 IKAB CCCC[C@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)O 27517374 HKRSUFNIVSFOCU-KRWDZBQOSA-N 446.370 5.432 0 40 IKAB Cc1ccccc1CSc1ncc(Br)c(C(=O)Nc2ccc(F)cc2)n1 27795534 JBJPKGMXPTXLFA-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2c(C)nn(Cc3cccc4ccccc34)c2C)c1 27922681 YSDMOTXVIVASRQ-UHFFFAOYSA-N 435.980 6.329 0 40 IKAB COc1cc(/C=C/C(=O)N(C2CC2)[C@@H](C)c2cccc3ccccc23)cc(OC)c1OC 32832524 VZFBWSHSDTXTHM-XOVFHRFOSA-N 431.532 5.631 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)nc1 32841585 DCMFFXMPPGIZRE-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB O=C(Nc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1)c1cccs1 32880020 AJBPKLAPSXNCAT-UHFFFAOYSA-N 428.916 5.598 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)Nc4ccccc4)cc3s2)c1 33018924 HNKWAYWCLNBAAJ-UHFFFAOYSA-N 448.573 5.980 0 40 IKAB COc1cc(OC)cc(-c2noc(CSc3ccc(-c4ccc(C)c(C)c4)nn3)n2)c1 33262530 FGVRYDYPAGSIBG-UHFFFAOYSA-N 434.521 5.120 0 40 IKAB CC(C)CCCCCCCCCCCCCCC(=O)O[C@H](C)C(=O)O[C@@H](C)C(=O)O 33637018 STCSWZPJESBYAV-LEWJYISDSA-N 428.610 6.052 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)c(Cl)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646133 OCQSUEVPZLYZPD-ZDLGFXPLSA-N 449.746 6.798 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)N[C@H](CC(C)C)c1ccccc1 38753877 RTGGQKMBPDFJFY-XMMPIXPASA-N 442.625 5.077 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc(Cl)cc2F)nnc1-c1cc2ccccc2o1 39752421 WLVNJAJVYWMLBZ-UHFFFAOYSA-N 444.919 5.796 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 44852875 ACYRJLSYCCFQJS-QGZVFWFLSA-N 435.395 5.098 0 40 IKAB CC1CCN(C[C@H]2CCCN(C(=O)c3ccccc3C(=O)c3ccc(Cl)cc3)C2)CC1 58196991 BHGSPNTVRZXXMN-HXUWFJFHSA-N 438.999 5.155 0 40 IKAB c1ccc(-c2csc3nc(-c4cccs4)nc(N4CCC(n5cncn5)CC4)c23)cc1 62582585 RGJFDKNWWQQSAE-UHFFFAOYSA-N 444.589 5.520 0 40 IKAB Cc1ccc2c(-c3cc4c(CNCc5cccnc5)cnc(C)c4o3)cc(=O)oc2c1C 95473118 XCBQMUWKYGDRGS-UHFFFAOYSA-N 425.488 5.211 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NC(=O)C[C@@H](CC(=O)O)c3cccs3)ccc1O2 96024590 HDZPMSQTRVGXCB-AWEZNQCLSA-N 436.489 5.002 0 40 IKAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 100156215 FYMSBJFVTRXSRW-NYMACZPPSA-N 445.902 5.179 0 40 IKAB CC1=C[C@H]2C[C@H]1[C@H]1C(=O)N(c3ccc(C(=O)OCc4ccc(C(C)(C)C)cc4)cc3)C(=O)[C@@H]21 101459494 SFPYDOIXKBOBNZ-GMHONNGPSA-N 443.543 5.043 0 40 IKAB CCN(CC)c1ccc(NC(=O)CN2C(=O)[C@@H]3CCCC3=Nc3cc(C)c(C)cc32)c(C)c1 101681189 PJSAOKMUWDYTOF-OAQYLSRUSA-N 446.595 5.316 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@H](C)O)c4)c3N2)cc1 103087724 HIFMEZWRVWHWBI-GKCIPKSASA-N 444.457 5.157 0 40 IKAB O=C(Cn1cc(C(=O)C2CCCCC2)c2ccccc21)Nc1cccc(Cl)c1Cl 107813244 JFDBVMXIFQBUFY-UHFFFAOYSA-N 429.347 6.350 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118918447 GODCGUYMQPRACL-CXEOFENMSA-N 442.640 5.928 0 40 IKAB COC(=O)CC[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 122618164 XHQVLSIVZIPGLE-JHMOMEIGSA-N 446.628 5.345 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222949219 NNEMOYQGAUFYDU-NRFANRHFSA-N 435.395 5.116 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223814722 PTRKDQCSDJKTCZ-GOSISDBHSA-N 445.028 5.049 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c1Cl 223914207 FTKQODYZBRMELI-UHFFFAOYSA-N 426.756 6.097 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2)c1 224308439 MSZVBOQNJGCUCY-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1 224324378 KDMDLOFIMXAYKV-RTBURBONSA-N 444.423 5.645 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3C)c2)cc1 224375621 GPQICLFENQFYGU-UHFFFAOYSA-N 433.504 5.402 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2OC)cc1COc1cccc(Cl)c1 224493138 KIIHSCLSFNQDMY-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224727634 DXDHDYVKQXZEIR-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225525890 HEGJASBOFGROGB-VGSWGCGISA-N 449.422 5.566 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1)N1CCCC1 225550424 MVCJXRCPZDCBTQ-UHFFFAOYSA-N 440.971 5.182 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(C)c1C 225674300 RBFZVNUHCUCAAS-UHFFFAOYSA-N 448.009 6.059 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1C/C(=C/c1ccc(OC(F)F)cc1)[C@H]2O 253499215 KUZBETODCMAEND-LIBUQEFFSA-N 444.562 5.966 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408563715 WWBCPFXYYCKXGR-LVWGJNHUSA-N 433.404 6.545 0 40 IKAB COc1ccc(CNC(=S)c2cccc(OCc3c(Cl)cccc3Cl)c2)cc1 408573229 JGFITXSRMACWLA-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408645345 UREFMZTTYOXVIC-OAHLLOKOSA-N 441.314 5.777 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1 408665181 ONSTXWHCTLDHEM-SFHVURJKSA-N 436.305 5.075 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2C)cc1 408674970 FNEBMERENNYKAW-UHFFFAOYSA-N 432.907 5.788 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OC(=O)c1ccc(Br)cc1 408737439 QTBMLYPKQLMWIW-RGEXLXHISA-N 448.272 5.013 0 40 IKAB Cc1ccccc1OCc1nn(CC(=O)N(C2CCCCC2)C2CCCCC2)c(=S)o1 409151296 FZWGRTLQOBMXPA-UHFFFAOYSA-N 443.613 5.587 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409178090 JHWPPKBHFWHHNA-OJSPLJLUSA-N 438.549 5.156 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccc(Cl)cc1 409182056 IEUVLYBMYHUFLF-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc(COc2ccc(Cl)cc2Cl)o1 409200428 SDJOGLHBABCBOA-UHFFFAOYSA-N 431.102 6.725 0 40 IKAB CN1CCCCCCCN(C(=O)c2ccccc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643584055 KEDIFPIJNDQFMV-RSXGOPAZSA-N 448.607 5.555 0 40 IKAB CC(C)[C@H]1C[C@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)c2ccccc21 685939978 PCTHXIHTUJIEHE-QDPGVEIFSA-N 441.527 5.649 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@@H]1c1cccc(Cl)c1 684635 HJPGXYMLMYKZAL-HXUWFJFHSA-N 426.929 5.138 0 40 IKAB C[C@@H](O)c1cccc(NC(=O)Nc2cccc(NC(=O)Nc3cccc([C@@H](C)O)c3)c2)c1 784054 VGFLXUCCRNYIKX-HZPDHXFCSA-N 434.496 5.081 0 40 IKAB Cc1cccc(NCc2nnc(SCC(=O)Nc3cccc(C)c3)n2-c2ccccc2)c1 886554 UJWATRVDPCSBOY-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)c1ccc(OC)c(OC)c1 1004508 VYFYGQSEDODWEQ-UHFFFAOYSA-N 445.924 5.515 0 40 IKAB Cc1cccc(Cn2cnc3c(NS(=O)(=O)c4ccccc4Cl)c(C)c(C)cc32)c1 1388559 OHMBZHBMGRTCRX-UHFFFAOYSA-N 439.968 5.464 0 40 IKAB Nc1cccc(Nc2nc(N3CCCCC3)nc(N(c3ccccc3)c3ccccc3)n2)c1 1796023 XQVPMQPAYNYUKO-UHFFFAOYSA-N 437.551 5.658 0 40 IKAB CCN(CC)C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2cc(C)cc(C)c21 1894937 DTIOIWHFHYKANC-VWLOTQADSA-N 426.604 6.295 0 40 IKAB Cc1cccc(OCc2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)c1C 2256639 ABGWJAZSSMVVIY-UHFFFAOYSA-N 446.510 6.400 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2c(Cl)cccc2Cl)cc1 2327391 POGFLDVOAWSXJF-UHFFFAOYSA-N 441.314 5.458 0 40 IKAB COc1ccc(-c2c(C)nc(N)nc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1 2345177 NPKRUFCQGHPOPV-UHFFFAOYSA-N 431.467 5.134 0 40 IKAB biogenic COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)cc5)c3c2N)CCC4)c1 2367118 PBFFGRJYVAQBTA-UHFFFAOYSA-N 429.545 5.604 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 2448550 WIXFRKRKAPMJMW-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(F)cc2)sc(C)c1-c1cccs1 2648403 VOTIMPIYXKJKLJ-UHFFFAOYSA-N 448.566 5.228 0 40 IKAB CCCN(CCC)c1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714870 NTUGLTKCLVKLQA-UHFFFAOYSA-N 438.497 6.733 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)c1sc2ccccc2c1Cl 3166075 ASUIBWOIWXRFGK-MHZLTWQESA-N 446.015 7.690 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)OCC(=O)c1cc2ccccc2o1 3255239 STQKTFNKWWDTTG-OUKQBFOZSA-N 449.466 5.120 0 40 IKAB Cc1ccccc1-n1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 3276511 VLMRSZABFRXJBF-UHFFFAOYSA-N 426.463 6.005 0 40 IKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NCC(=O)Nc2ccc(C)cc2)cc1 3321741 JMIDIRUQYIZPFX-UHFFFAOYSA-N 444.453 6.255 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)cc1 3333235 PAUDFFJLWSOLOD-UHFFFAOYSA-N 434.539 7.109 0 40 IKAB COc1cc(C(=O)OCC(=O)c2ccc(Cl)cc2)ccc1OCc1ccccc1Cl 3338093 RNEJDZZFMQYNBR-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB CN(c1ccc2ccccc2c1)S(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3357327 BCEGXVDNPNIIIF-UHFFFAOYSA-N 433.373 5.703 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(Cl)c(C)c2)cc1 3655510 UFAFHAYDSIJTEO-UHFFFAOYSA-N 433.891 5.952 0 40 IKAB C[C@@H]1CN=C(N(C(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(F)c(Cl)c2)S1 4207774 TXRKHHZPLOLGEQ-SECBINFHSA-N 432.735 6.316 0 40 IKAB CCOc1ccccc1NC(=O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cc(C)cc12 8383527 FRNXDQXARVTSKR-UHFFFAOYSA-N 430.935 6.823 0 40 IKAB CCOc1cc(NC(=O)c2sc(C)nc2C)c(OCC)cc1NC(=O)c1ccccc1 8717897 WRTPLZKFDFZNJC-UHFFFAOYSA-N 439.537 5.062 0 40 IKAB O=C(Nc1ncc(Cc2ccc(F)cc2)s1)c1ccc2noc(-c3ccccc3)c2c1 8753760 MIEDMVMVGZQODU-UHFFFAOYSA-N 429.476 5.934 0 40 IKAB Clc1ccc(-c2cs/c(=N/c3ccccc3)n2CCc2c[nH]c3ccccc23)cc1 8771465 DMUNVYYWDOVMFG-AZPGRJICSA-N 429.976 6.826 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)cc1 8828172 FLKXJCWFANQNHJ-QHCPKHFHSA-N 431.539 6.067 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4OC[C@@H]3c3ccccc3)o2)cc1 8966029 GEMBPYCVPMYJDX-OAQYLSRUSA-N 443.528 5.304 0 40 IKAB O=C(CSc1nc(Cc2ccccc2)nc2c1SCCC2)Nc1cccc(Cl)c1 9135166 FHZLSWHFCXVVIQ-UHFFFAOYSA-N 442.009 5.490 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1 9309058 RNWHXLHLJTXEKH-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB O=C(c1cc(=O)c2ccccc2o1)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 9373280 CXESEQLUPDJFGK-UHFFFAOYSA-N 438.527 5.104 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2sc3ccccc3c2Cl)o1 9512950 QAKQEXAPVLEHGV-UHFFFAOYSA-N 430.938 6.108 0 40 IKAB COc1cccc(-c2nc(C)c(-c3ccc(SCc4cccc(Cl)c4)nn3)s2)c1 9578035 SEENAPMWIUMTOB-UHFFFAOYSA-N 439.993 6.530 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ncnc4sc(C)c(C)c34)cc2)cc1OC 9579957 PTTWOUXSXDWTJV-UHFFFAOYSA-N 435.505 5.370 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 9906663 PPGFHVUPKQGPNB-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H](C)CCc1ccccc1 10142107 ZMDHLUQRBMDDRE-MOPGFXCFSA-N 449.620 5.130 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(F)c(F)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195691 WUCNIUYUQHBRSR-WIOPSUGQSA-N 436.458 5.614 0 40 IKAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCc1c(C)[nH]c2c(Cl)cccc12 12412248 IEHVEIMGLXOGDQ-UHFFFAOYSA-N 434.989 5.173 0 40 IKAB CCCOc1ccc(C(=O)CCC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1 12525161 XJNIVJFUUSBGPY-MHZLTWQESA-N 441.531 5.220 0 40 IKAB c1ccc(-c2nc(-c3cn(-c4ccccc4)nc3-c3cccnc3)[nH]c2-c2ccccc2)cc1 12551215 FREBEGNBXOIQFZ-UHFFFAOYSA-N 439.522 6.658 0 40 IKAB CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 12655839 NZDFRHCQINXFLI-UMXRJYAASA-N 428.613 5.800 0 40 IKAB biogenic CC[C@H](C)n1c(SCC(=O)Nc2ccccc2C(F)(F)F)nc2ccccc2c1=O 12780569 UTWFAHVHRMVGSR-ZDUSSCGKSA-N 435.471 5.117 0 40 IKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)c(C)c1 12790040 KTPZCWCKBRGYBV-AWEZNQCLSA-N 446.370 5.544 0 40 IKAB COc1ccc(CN(Cc2cccc3cccnc23)Cc2cccc3cccnc23)cc1OC 12804183 SQDIUCHGFGXIBP-UHFFFAOYSA-N 449.554 6.003 0 40 IKAB COc1ccc(Sc2nc(SCc3ccccc3)nc3c2sc2ccccc23)cc1 12952341 FSGGNTKQOJPSKL-UHFFFAOYSA-N 446.622 7.297 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 12972545 GUFVRVZYDXLIEP-SFHVURJKSA-N 445.544 5.743 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1nc(-c2ccc(F)cc2)cs1 13131820 ZOYYGUAOMCOZNY-UHFFFAOYSA-N 447.560 6.581 0 40 IKAB Cc1ccsc1-c1nnc(S[C@H]2CCc3ccccc3C2=O)nc1-c1sccc1C 13566494 YJHJKIDTWKYPPN-KRWDZBQOSA-N 449.626 6.235 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3C(=O)c2ccc(C)cc2)cc1 13616521 QHOASVHSWVUMND-WIOPSUGQSA-N 432.907 5.410 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NCCc1ccccc1 13686705 OBHCPSOMLGULMV-UHFFFAOYSA-N 448.566 5.820 0 40 IKAB O=C(Nc1ccccc1C(=O)NCC(F)(F)F)c1ccc(Oc2ccc(F)cc2)cc1 14084349 ZXMJZDKTHVWOJF-UHFFFAOYSA-N 432.373 5.162 0 40 IKAB FC(F)(F)c1cnc(N2CCN(Cc3sc4ccccc4c3Cl)CC2)c(Cl)c1 14184997 PZHRKHFVKAZHAH-UHFFFAOYSA-N 446.325 5.944 0 40 IKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1C 14270108 IXQBQDGTISFAHS-VQHVLOKHSA-N 445.371 6.397 0 40 IKAB O=C(CSCc1ccccc1Br)Nc1ccccc1Sc1ccccc1 14413287 AHSWEUCMDCFSJE-UHFFFAOYSA-N 444.419 6.472 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1ccccc1Cc1ccccc1 14850869 RFLXVSZRAZIUBF-UHFFFAOYSA-N 432.520 6.013 0 40 IKAB COc1cc2c(cc1NC(=O)C[C@@H]1c3ccccc3C=CN1C(C)=O)oc1ccccc12 15603216 QNYXKYPWBSSHES-JOCHJYFZSA-N 426.472 5.497 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(Cl)s2)sc2c1CCN(Cc1ccccc1)C2 15823461 UKHNGLTUAAAPSW-UHFFFAOYSA-N 446.981 5.060 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)cc1OC 16227246 NXRPBKZUOWHWDZ-OAQYLSRUSA-N 438.886 5.488 0 40 IKAB CCOc1cc(CNCCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 16689145 MXHKGVLNLFZCRF-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB O=C(Cn1nc(Cc2ccccc2)n(-c2ccccc2)c1=S)Nc1ccc(Cl)cc1 16769190 JFJXLPSDWAMACV-UHFFFAOYSA-N 434.952 5.286 0 40 IKAB Cc1[nH]c2ccc(Cl)cc2c1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1 16977189 YVUIGHSWFCQFLF-UHFFFAOYSA-N 441.959 6.304 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)c1 20453111 LPJPJUINRWEBAY-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CCOc1ccc(CCC(=O)N[C@@H](C)c2ccc(OCC)c(OCC)c2)cc1OCC 22520764 PKDMHDJUNCGKND-SFHVURJKSA-N 429.557 5.091 0 40 IKAB O=C(NCCc1cn2c(n1)CCCC2)c1ccc(CSc2nc3ccccc3s2)cc1 24751633 CVZXJQFANNSQNW-UHFFFAOYSA-N 448.617 5.094 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)CSC(c2ccccc2)c2ccccc2)cc1OC 25613780 OZSITUPIGKHHJB-QHCPKHFHSA-N 447.600 5.890 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2ccc(OC)c(Br)c2)cc1 28499991 ZZSQDGODVQKPLZ-OAQYLSRUSA-N 446.385 5.543 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCCSCc1ccccc1Cl 30859267 LDHIJMKWVMEJNE-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB COC(=O)c1cccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)c1 32724294 UEYDIALFAGDPEY-UHFFFAOYSA-N 441.456 5.259 0 40 IKAB COc1cc(C(=O)NCc2ccccc2)cc(Br)c1OCc1ccc(C)cc1 34869351 NWIQOZARSFUWFX-UHFFFAOYSA-N 440.337 5.275 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(Cl)c1 37188475 KDGBUPKGVSOBLM-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2Cl)cc1 38772426 SYGYJNYMHPSSEQ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Cn1c(COc2ccccc2Cl)nc2ccccc21)Nc1ccccc1Cl 40300834 ZWAYRFTVTDSTCT-UHFFFAOYSA-N 426.303 5.561 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCCC3)cc1 45932782 IPLHVPYZVSBUDR-UHFFFAOYSA-N 432.633 6.616 0 40 IKAB O=C(CN(CCOc1ccccc1)CCOc1ccccc1)C12CC3CC(CC(C3)C1)C2 58160827 QFALSNMWFDPLQZ-UHFFFAOYSA-N 433.592 5.232 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)cc3Cl)C(=O)[C@@H]12 59500415 GNTDGAJRAGDPMV-FGEXJBCWSA-N 448.349 5.954 0 40 IKAB biogenic Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCN(C(=O)CC3CCCC3)C2)n1 72346110 WEAVMGLIRPCYQF-QGZVFWFLSA-N 432.490 5.031 0 40 IKAB CCOc1ccccc1NC(=O)CSc1cc(C(F)(F)F)c2ccc(OC)cc2n1 95471999 CZLALMRQZHXIKU-UHFFFAOYSA-N 436.455 5.392 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)c(Cl)c1)C1=C(O)C[C@H](c3ccc(O)cc3)CC1=N2 102718131 NEGSYGMGTQLUEP-SPLOXXLWSA-N 441.314 6.603 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3F)CC(O)=C2[C@@H]1c1ccc(C)cc1 104077755 PVJKNBRRRAQJIF-NGOKVRLYSA-N 440.518 6.704 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)Nc3c(C)cccc3C)cc2)S(C)(=O)=O)c1 113963122 WFKOSEOAXFUVDG-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 195528916 FDBXCQIAUYDMBI-HGUFUWKXSA-N 430.481 5.487 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223226685 ROSKOAMCRQVFPC-QFIPXVFZSA-N 426.626 5.199 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 223632224 IJJXMWARWKYGJE-PMACEKPBSA-N 448.375 5.003 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223721079 HXNBGBMLMCBTSM-SFHVURJKSA-N 445.028 5.049 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1)C(C)C 223964407 GKAAGEYXMPYJDZ-QHCPKHFHSA-N 440.540 5.062 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCC1 224429978 VHIQZIJEQDASCR-DNQXCXABSA-N 434.584 5.931 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1C 224808905 WOAQHSWJURYENG-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3SC)o2)c(OC)c1 224937458 MPJXGVJRWFDBRA-UHFFFAOYSA-N 446.528 6.000 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 225051492 ODNHUKLXJDTISN-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 225260469 FOPXQRHZGFVZFS-BWAHOGKJSA-N 430.548 5.231 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)cc1 225284877 DTTOXZVVOVWLIZ-MHZLTWQESA-N 442.603 5.094 0 40 IKAB Fc1ccc(CSCCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225615537 VKCNLWFAXPQECZ-UHFFFAOYSA-N 447.826 5.852 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCC[C@@H]2C)cc1 225696174 BQIPUKWLPRFBLH-QFIPXVFZSA-N 432.649 5.746 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225749056 OALUTDSMMMEGHE-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(Cl)c(C(F)(F)F)c1 225806671 HZOZVKBIPKPOSM-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)c(N)c1 226348748 FOYLOPBBAKFWGU-UHFFFAOYSA-N 435.705 5.596 0 40 IKAB CC(C)c1ccc(CN(Cc2ccccc2)[C@H]2CC[C@H](N(C)Cc3ccccc3)[C@@H]2O)cc1 257208028 BKIPAHDOFLGODR-DTXPUJKBSA-N 442.647 5.836 0 40 IKAB O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 257308826 TYGUSYKRAVVJSI-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB O=C1CS[C@H](c2cccc(OCc3cccc(Cl)c3)c2)N1c1ccc(Cl)cc1 408557409 NGHUUMJJMQCBEM-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB CCn1c(-c2ccc(Br)cc2)c(C)s/c1=N\C(=O)c1ccc(OC)cc1 408562185 NXQHUPMYUNKOHN-XDOYNYLZSA-N 431.355 5.057 0 40 IKAB COc1cc(C(=S)NCc2ccc(C)cc2)ccc1OCc1ccc(Cl)cc1Cl 408571834 CSZQIRNYJQPDQH-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1ccc(N(CC(=O)Nc2c(Cl)cccc2Cl)S(=O)(=O)c2ccccc2)cc1 408578635 LELIPSNCOVKKPF-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccc3ccccc3c2)cc1 408724443 KJZILLHPMOHXLB-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB CC(C)Sc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408751042 VRORNNLTLPOZIS-UHFFFAOYSA-N 425.579 5.285 0 40 IKAB COc1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 408759166 ZBESIGJSWZSYSD-PHIRODEFSA-N 433.507 5.119 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409172937 MXPKOQYPZFPWLO-ZPTXYVIGSA-N 442.990 6.567 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(I)c1 409178747 NAJMZYCMDMNFDK-HXUWFJFHSA-N 442.252 5.072 0 40 IKAB CC(C)N(C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O)C(C)C 409214124 RGVSRUJBDHITJE-ODLFYWEKSA-N 446.956 5.282 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 409232240 PIQMMJPMJUSZOK-HMAPJEAMSA-N 435.545 6.522 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)cc1OC 409357835 KFHFADZLFSMQDW-NDENLUEZSA-N 445.924 5.057 0 40 IKAB CC1(C)CC(=O)c2c(oc3c2cc(NS(=O)(=O)c2cccs2)c2ccccc23)C1 645710 YUWDZPOHTUDBLR-UHFFFAOYSA-N 425.531 5.603 0 40 IKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2ccc(O)c(OC)c2)c1 646245 ONVGESAVESPJHI-UHFFFAOYSA-N 433.382 5.473 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1ccccc1Cl 648725 NONRYCGRUQWIHQ-UHFFFAOYSA-N 426.973 5.699 0 40 IKAB Cc1ccc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 931451 SFJLFUBPUISLDU-UHFFFAOYSA-N 431.536 5.375 0 40 IKAB COc1ccc(Oc2cnn(-c3cc(Cl)ccc3Cl)c(=O)c2Br)cc1 1393649 KISBQXIRSGXUFD-UHFFFAOYSA-N 442.096 5.103 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccccc2C(C)C)sc(C)c1-c1ccccc1 1944367 BOQYMRQIQZTUHT-UHFFFAOYSA-N 437.561 6.041 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2ccc3nc4c(nc3c2)-c2cccc3cccc-4c23)cc1 2078774 SYUCEEFQWXFCIC-UHFFFAOYSA-N 430.463 5.779 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccc(Br)cc4)OC3=O)cc2)c1 2084827 NOHBXQCJLHZBDZ-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB COc1cc(OC)c(OC)cc1CC[C@@H](C)NCCC(c1ccccc1)c1ccccc1 2106058 BENHUXHIBFRHAF-OAQYLSRUSA-N 433.592 5.845 0 40 IKAB biogenic CCCCc1ccc(N2COc3ccc4c(-c5ccc(OC)cc5)cc(=O)oc4c3C2)cc1 2118648 JUNQSFUSHDZRDU-UHFFFAOYSA-N 441.527 6.168 0 40 IKAB biogenic Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](NC5CCCCCCC5)C4=O)cc3)sc2c1 2152642 VFKPWYBLEXOGSV-QFIPXVFZSA-N 447.604 5.606 0 40 IKAB COc1ccccc1-c1cnc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 2231607 CBXASVOCSAWITH-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic CCOC(=O)c1c(NC(=S)Nc2ccc(OC(F)(F)F)cc2)sc2c1CCCC2 2549760 JEDSJWZNWSTCFU-UHFFFAOYSA-N 444.500 5.511 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)cc1 2590320 KIQZODWUTPRBRY-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2C)c(C)n1Cc1ccco1 2623698 GNVQEKJLBYSEFP-UHFFFAOYSA-N 440.956 5.170 0 40 IKAB O=C(CCC(=O)Nc1nc(-c2ccccc2)cs1)Nc1nc(-c2ccccc2)cs1 2750714 IPVSLONPXIBKFO-UHFFFAOYSA-N 434.546 5.291 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 3146860 ZNCTWZQIKCQSOU-JKURPRQGSA-N 433.507 5.119 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 3292235 WQUYIBRIFGZBNA-HXUWFJFHSA-N 443.616 6.523 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)N(Cc3ccccc3)C(C)(C)C)s2)c1 3295519 XQCWNRBBGWGLFS-UHFFFAOYSA-N 426.611 5.510 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)CSc3ccccc3Cl)cc2)cc1 3340186 VEPNBTNSWOEGMT-UHFFFAOYSA-N 426.925 5.332 0 40 IKAB Cc1nn(-c2ccccc2)c2c1C(c1ccc(Cl)cc1)=C[C@](C)(c1ccc(Cl)cc1)N2 3348820 IIRXKZFVLQOQMX-AREMUKBSSA-N 446.381 7.260 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2c(C)cccc2C(C)C)cc1 3355530 LLEGLKVZGMQDAS-UHFFFAOYSA-N 436.577 5.586 0 40 IKAB O=C(COc1ccc2c(=O)c(-c3ccccc3Cl)coc2c1)Nc1ccc(F)c(F)c1 3361639 VTIMRUAIYAUQFD-UHFFFAOYSA-N 441.817 5.409 0 40 IKAB CCCOc1c(Br)cc(C(=O)OCC(=O)c2cc(C)c(C)cc2C)cc1OC 3449783 BFWZAFFUIAEPGP-UHFFFAOYSA-N 449.341 5.211 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)ccc1Cl 3655487 PAZVASQSSZIALD-MRXNPFEDSA-N 433.891 6.032 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1C 3770809 FXLQZKBNPVBHHI-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)c(C)c1 6142852 IVDJACTWQHZDCL-UHFFFAOYSA-N 436.581 5.350 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3c(Cl)cccc3Cl)c2c1 6844283 HAXYAQKDEPZGAE-UHFFFAOYSA-N 443.374 7.597 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@H](c3ccco3)C2)cc1 6924950 XDNKPCQDRHHQNH-OAQYLSRUSA-N 435.936 6.421 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 8441577 ZSFLVHFUWQJPKV-UHFFFAOYSA-N 434.583 6.547 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 8590371 SXNHQIPFQGQCDN-OAQYLSRUSA-N 432.476 5.107 0 40 IKAB Cc1ccc2oc(C(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)cc(=O)c2c1 8612388 IAOVYSXZNZTOQG-UHFFFAOYSA-N 438.439 5.352 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 8828241 SEFDSHOKCIRFME-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB COc1ccc(C2=N/C(=C3/C=C(c4ccc(SC)cc4)Oc4ccccc43)C(=O)O2)cc1 9059167 LNASVQLOVLQPOC-FLFQWRMESA-N 441.508 5.565 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccc(F)cc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 9090039 NRPXUQNFIIKJER-MZNJEOGPSA-N 443.478 5.654 0 40 IKAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)Cn1cnc(-c2ccccc2)c1-c1ccccc1 9546410 WPGWWJIFBYIKSM-VWLOTQADSA-N 435.571 6.158 0 40 IKAB O=C(c1ccc(-n2nc(C(F)(F)F)c3c2-c2ccoc2CC3)cc1)N1CCc2ccccc21 9595543 NQOUYKRYCSFPAP-UHFFFAOYSA-N 449.432 5.453 0 40 IKAB O=C(N1CCN(c2cc(Cl)ccc2Cl)CC1)N(c1ccccc1)c1ccccc1 9601232 XIXSCSXWEVVPJI-UHFFFAOYSA-N 426.347 6.074 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(C)n2-c2cccc(C)c2)cc1 9730726 KGEYCNQRRDGXFR-UHFFFAOYSA-N 443.572 5.896 0 40 IKAB O=C(c1ccc(-c2cc(Cl)ccc2Cl)o1)N1CCC(C(=O)N2CCCCCC2)CC1 9866289 AHFQJUDVWXJWGV-UHFFFAOYSA-N 449.378 5.508 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@@H]1C 10153214 YDGYFEGBBYOEDX-NBGIEHNGSA-N 448.588 5.467 0 40 IKAB Cc1ccccc1NC(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 10490987 MYDQPJSHRLKXBH-UHFFFAOYSA-N 444.604 6.041 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(F)cc3F)n2)cc1 12442207 LWWKXIPQLAWVRC-UHFFFAOYSA-N 440.475 5.233 0 40 IKAB O=C(Nc1ccc(-n2nncc2-c2ccccc2)cc1)c1ccc(Br)cc1F 12821417 PJAZMMGACJOZJO-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1cc(NC(=O)COc2ccccc2F)cc(-c2nc3cc(Cl)ccc3o2)c1O 12856558 DTQPLRZXSRJABE-UHFFFAOYSA-N 426.831 5.319 0 40 IKAB CCOC(=O)C1CCN(c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)CC1 12859805 FWLGRXAVTOAVIJ-UHFFFAOYSA-N 437.543 5.743 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 12869879 NDVYIWVZBWARHI-UHFFFAOYSA-N 442.588 5.172 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)NCc1ccc(Cl)cc1 13016015 IOUKTIALAMHUBD-UHFFFAOYSA-N 442.418 5.379 0 40 IKAB CC(C)Cn1c(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F 13095489 WMKITGXMTKUKGS-ASXFNGKXSA-N 441.616 6.006 0 40 IKAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 14152969 NNUUXAXEWWXUJI-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CCC(=O)c3ccc(Br)cc3)c2)cs1 14184056 ZXUKOIQJGCOCPI-UHFFFAOYSA-N 429.339 5.483 0 40 IKAB COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(Cl)c(Cl)c3)o2)c1 14944198 RLDILVGEUGHFDG-UHFFFAOYSA-N 440.286 5.971 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)c2cc(Br)ccc2Cl)cc1OCC 15966496 WLFWXAIWNZODBG-GFCCVEGCSA-N 426.738 5.391 0 40 IKAB CCc1ccc(OCC(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1 16162025 YFKCICJHCQIOPE-SFHVURJKSA-N 428.532 6.588 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(Cl)c(Cl)cc3Cl)o2)cc1Cl 16313035 QUQJRNBFBNXRCU-FNORWQNLSA-N 441.141 7.521 0 40 IKAB O=C(Nc1ccc(CN2CCOCC2)cc1)c1ccc(-c2cccc(Cl)c2Cl)o1 17097381 ZNOHUUXOYXIWKR-UHFFFAOYSA-N 431.319 5.338 0 40 IKAB Fc1ccc([C@@H]2COC[C@H]2N(Cc2ccncc2)Cc2ccccc2C(F)(F)F)cc1 19348728 ALZCNOPGRICSHV-JTHBVZDNSA-N 430.445 5.424 0 40 IKAB COCc1ccc(C(=O)N2CCC(c3cc(-c4cccc(OC)c4)cc(C)n3)CC2)cc1 19690624 LKDVKMYLLQDCRX-UHFFFAOYSA-N 430.548 5.232 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)c2cc3ccccc3o2)ncc1C(=O)Nc1ccccc1 19755861 ZWHNQWGBIQWBPY-NRFANRHFSA-N 440.503 5.151 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20488984 REHZDBXFISGKTI-HSZRJFAPSA-N 427.903 5.532 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)c1 22531635 FFYAGYVERMSBTO-UHFFFAOYSA-N 434.989 5.162 0 40 IKAB CCOc1ccc2nc(NC(=O)Cc3csc(Nc4ccc(F)cc4)n3)sc2c1 23236066 UXOJMCVPZUNPJZ-UHFFFAOYSA-N 428.514 5.215 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)N[C@H](c1ccc2c(c1)CCCC2)c1cccs1 24278623 AEQVHOKQGOWWQF-ISKFKSNPSA-N 448.613 5.336 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@H]1c1ccccc1 25902736 CJUYATNNMHJPCO-RUZDIDTESA-N 432.520 5.649 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 26780079 VJMRSGNIWRZAPI-UHFFFAOYSA-N 448.759 5.075 0 40 IKAB Cc1ccccc1NC(=O)CCc1nc(CSc2nc(-c3ccccc3)cs2)no1 33087422 HXMROYULGAFHDO-UHFFFAOYSA-N 436.562 5.365 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nc2cc(-c3ccccc3)sc2c1=O 33278122 CAKDNAXOPBZOJH-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@H]1c1ccccc1 33747808 UUENVKHVYBAYBA-ZBYWLPPUSA-N 440.518 6.028 0 40 IKAB CC(C)(C)CC(=O)N[C@H](C[C@H]1CCCCN1Cc1cccc(Cl)c1)c1ccccn1 57774862 PTWPLXVMNNTQFN-FYYLOGMGSA-N 428.020 5.773 0 40 IKAB CSc1nc2ccc3nc(Nc4nc5c(C(C)C)cccc5s4)sc3c2s1 62017514 MYWPXQUMEGRDHQ-UHFFFAOYSA-N 428.633 7.105 0 40 IKAB CC(C)n1cnnc1CNCc1ccc(OCc2ccccc2)cc1OCc1ccccc1 72294579 NVXNGZFDEYRXLK-UHFFFAOYSA-N 442.563 5.307 0 40 IKAB Cc1cc(-c2ccc(N)nc2)cc([C@H]2CCCN(C(=O)CCc3cccc(Cl)c3)C2)n1 72353722 MIRLLRUXELTSLC-FQEVSTJZSA-N 434.971 5.026 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccc(C2CCCCC2)cc1)c1cccnc1 96191670 GSYWEFCUSGRHDZ-UHFFFAOYSA-N 440.465 7.193 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101144869 FEXTXOKTCVPOFJ-HJOGWXRNSA-N 444.506 5.174 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)C2=O)cc1 106703677 GPXHIVQKJYLDIW-ODLFYWEKSA-N 444.339 6.798 0 40 IKAB CNS[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118928403 HTHNWQMPMKADST-FVEYCNCKSA-N 431.774 8.264 0 40 IKAB 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@@H]2[C@@H](C)CCCC(C)C)C1 118930833 PHLIUSDPFOUISN-SJQQJJQDSA-N 430.717 8.039 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 223314371 YIEBMLHQBRORMD-KCWPFWIISA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223422940 UFELEYYSNPRDFQ-SFHVURJKSA-N 449.422 5.486 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223898673 CAVHVAXNWGDDBK-FQEVSTJZSA-N 446.566 5.388 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(C)c2)[C@H](CC)C(=O)NC2CCCC2)cc1 224234231 LRMHOEZEDDGWNJ-AREMUKBSSA-N 434.624 5.356 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(Cl)cc1Cl 224885958 ZQHKNKVBFGETLM-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225191436 KHZBNGOVAAUOPX-AREMUKBSSA-N 430.592 5.414 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@@H](C)C4)cc3)CCCC2)cc1 225513364 GPLZMDPCBLORQB-HSZRJFAPSA-N 434.624 5.946 0 40 IKAB CC1(C)C[C@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2O1 225577365 SUVYYJKGPCJQKL-HNNXBMFYSA-N 425.779 5.691 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225584606 WQHSLBRQLNABEG-UHFFFAOYSA-N 446.950 5.287 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 225608312 PZHBQOQUXFUAEK-XXBNENTESA-N 429.004 5.221 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CCCC[C@@]43C)[C@H]1CC[C@@H]2NC[C@H](O)COc1ccccc1 245232362 ULILXULMDVDQAM-RFSKJLEKSA-N 425.657 5.817 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)n1 257204386 AUIGYNRTYIXWPK-QGZVFWFLSA-N 434.515 5.078 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3C[C@@H](C)C[C@@H](C)C3)CCOCC2)cc1 257207250 BGZVNDNXWUXQNU-BGYRXZFFSA-N 439.571 5.345 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)cc12 257338486 YXQGKXWLJOYMSX-IBGZPJMESA-N 445.513 5.760 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3c(F)cccc3Cl)ccc21 408563721 OLNIIYCQVWYOMS-UHFFFAOYSA-N 426.944 6.479 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCC(=O)Nc1cccc2ccccc12 408643504 BJEGGMIBFMCIIV-UHFFFAOYSA-N 446.547 5.255 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(Cl)cc2)cc1 408693625 BDHCNCRTLXAPPW-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(C)cc2)cc1 408697758 JDTMDWCBSCKWCQ-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccccc3Cl)nn2-c2cc(Cl)ccc2C)c1 408700217 ZQPBDTQHEYAYKF-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(Cl)cc1 408834934 WGXRYZZCEZHHKA-UHFFFAOYSA-N 435.774 6.431 0 40 IKAB CCOc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc(Br)c1OC 409100704 RSTJRQXHSFXSKN-MLPAPPSSSA-N 442.231 5.368 0 40 IKAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccccc3Cl)c3ccccc23)C1=O 409123896 FPHXRUSSVBETRB-UDWIEESQSA-N 426.925 5.026 0 40 IKAB CSc1cccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)C)cc3)C2=O)c1 409153143 HGVLWMPSZRKZKU-YBFXNURJSA-N 426.563 5.207 0 40 IKAB Cc1sc(NC(=O)CCC(=O)c2ccc(F)cc2)nc1-c1ccc(Br)cc1 409207118 PIPBXEAFTCHORZ-UHFFFAOYSA-N 447.329 5.622 0 40 IKAB CCn1c(CSCc2ccc(F)cc2)nnc1SCC(=O)Nc1c(C)cccc1C 409364460 XLDAOZUGCZTZFX-UHFFFAOYSA-N 444.601 5.218 0 40 IKAB O=C1C[C@@H](C(=O)c2ccc(Cl)cc2)c2c(cc(O)c3c(=O)cc(-c4ccccc4)oc23)O1 524730497 LBDYFOPUCFKBSV-MRXNPFEDSA-N 446.842 5.095 0 40 IKAB biogenic Cc1noc(C)c1-c1ccc2c(c1)CNCCCCCCCN2C(=O)COc1ccccc1 643576401 WXZHBARJUFSYIM-UHFFFAOYSA-N 447.579 5.424 0 40 IKAB O=C(c1ccccn1)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1Cc1ccccc1 643581915 DMEKWVGJWIYAKI-VWLOTQADSA-N 449.554 5.340 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(Cc2cccnc2)CC1 1848351738 QOIWMLOEKOVXIQ-UHFFFAOYSA-N 427.592 5.018 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)c3ccccc3n2)cc1 670878 UPPVDSBYBLABOJ-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB Cc1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1Cl 800212 AZVXICOBOCEYAE-KRWDZBQOSA-N 444.906 5.405 0 40 IKAB COc1ccc2oc(=O)c(C(=O)Nc3nc(C4C5CC6CC(C5)CC4C6)cs3)cc2c1 811414 ATCREORDKZFOGG-UHFFFAOYSA-N 436.533 5.050 0 40 IKAB COc1cc(C(=S)N2CCCCC2)cc(OC)c1OC(=O)c1cccc2ccccc12 885697 JOOPRLJPFZZNKH-UHFFFAOYSA-N 435.545 5.238 0 40 IKAB COc1cc2cc(C)c(SCC(=O)Nc3ccccc3Br)nc2cc1OC 928249 TXWSDHCWGHLSAR-UHFFFAOYSA-N 447.354 5.054 0 40 IKAB CCCN1C(=O)c2ccccc2N(C(=O)Nc2ccccc2)[C@H]1c1cccc(OC)c1OC 1293528 CTEXEUHERDPVHI-DEOSSOPVSA-N 445.519 5.307 0 40 IKAB biogenic Cc1nc(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)sc1C 1332769 NIWYWJLIGWOATK-UHFFFAOYSA-N 430.624 5.252 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)c1C 1448865 GKXSMZSJWGNERB-HXUWFJFHSA-N 448.510 6.414 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2228940 SEZHIEAXNUWUIB-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2331357 JFDYDLPZTBRQPZ-NRFANRHFSA-N 442.471 5.600 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1 2412016 CAGPMJLKUSAECK-HXUWFJFHSA-N 446.330 5.460 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1ccccc1F 2427973 MLLJCSMRUWQZDX-RUZDIDTESA-N 445.515 7.828 0 40 IKAB O=C(Oc1ccc(Br)cc1Br)c1ccc(Br)cc1 2755965 JXPFNCUYIUXDPG-UHFFFAOYSA-N 434.909 5.193 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CSc1ccc(Cl)cc1Cl 3133625 VGMBMLGKSCFILT-UHFFFAOYSA-N 447.770 7.916 0 40 IKAB Cc1ccccc1Oc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3 3303092 WUIOVQYKKZGCGV-UHFFFAOYSA-N 439.005 7.226 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C/c1cn(-c2ccccc2)nc1C(=O)c1ccccc1 3328996 PVBNHMFCWYZWCC-BKUYFWCQSA-N 425.875 5.249 0 40 IKAB Cc1nc(Sc2nnc(CN3CCCCC3)o2)c2c(-c3cccs3)csc2n1 3416866 YKBXNMFVJKTGML-UHFFFAOYSA-N 429.596 5.248 0 40 IKAB CCN(CC)CCOc1ccc(C(C)(C)c2ccc(OCCN(CC)CC)cc2)cc1 4705907 JWZRIZYVQOKWBA-UHFFFAOYSA-N 426.645 5.454 0 40 IKAB C[C@@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5275464 XCDQFROEGGNAER-OMZVJQJHSA-N 428.745 8.249 0 40 IKAB Clc1ccc(CSc2nnc(CNc3cccc(Cl)c3)n2-c2ccccc2)cc1 6474884 PWISPSXXTZTRAZ-UHFFFAOYSA-N 441.387 6.479 0 40 IKAB C[C@@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2cccs2)o1 8708525 KKGGOYXNUXPYGN-OAHLLOKOSA-N 438.582 5.222 0 40 IKAB O=C(NCCCc1nc2ccccc2n1CCOc1ccccc1Cl)C1CCCCC1 8756406 CORBMQIFCYNSML-UHFFFAOYSA-N 439.987 5.398 0 40 IKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8831525 ONPMVEBRMKAWLQ-UHFFFAOYSA-N 449.403 5.682 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)cc1 8895841 FTZKGEBJZSMNGZ-OAQYLSRUSA-N 434.590 5.248 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2Cc2ccccc2)c2ccccc2)cc1 8897561 RWYVXWSKADHVLS-QHCPKHFHSA-N 428.561 5.415 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)CC(C)C)sc2c1CC[C@H](C(C)(C)CC)C2 9113069 UTDJRPYAIZCFPS-AWEZNQCLSA-N 438.659 5.325 0 40 IKAB C[C@@H]1CSC(N(C(=O)c2ccc(OC[C@H]3CCCO3)cc2)c2ccc(Cl)cc2)=N1 9125580 INAASPQVKXJWMI-FOIQADDNSA-N 430.957 5.036 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)o4)=NN32)cc1 9166103 RFQBIYMAMILLPK-DENIHFKCSA-N 439.309 5.601 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc2c(c1)CCCC2 9193356 OJSLBPGJTRTULS-UHFFFAOYSA-N 426.973 5.228 0 40 IKAB Cc1ccc(-n2c(/C=C/c3cc(Br)ccc3O)nc3ccccc3c2=O)c(C)c1 9457565 IYUGIQJKJLQOCA-XYOKQWHBSA-N 447.332 5.641 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 9507770 JWWHFQUBTOWWSG-HSZRJFAPSA-N 444.560 5.447 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4ccc(C)c(Cl)c4)ncnc32)c(C)c1 9517770 HRXVPBGRIYPDMH-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB O=C(CSC1=NC2(CCCCCC2)N=C1c1ccccc1)Nc1ccc(F)cc1F 9599204 IXWQSTJFYKAQEC-UHFFFAOYSA-N 427.520 5.588 0 40 IKAB CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)Nc2ccc3sccc3c2)cc1 9640208 CHCHHYMGNQUFET-LJQANCHMSA-N 428.579 5.107 0 40 IKAB CCOC(=O)Nc1ccc2c(CSc3nnc(-c4ccccc4C)o3)cc(=O)oc2c1 9698934 PDPLDXRZFXFDAG-UHFFFAOYSA-N 437.477 5.012 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 10325252 GFVUBYZVNPEXET-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CC[C@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 11667154 IUJSUVZZFLENHN-IBGZPJMESA-N 431.536 5.494 0 40 IKAB Cc1c(S(=O)(=O)c2ccccc2)c(NC(=O)c2ccccc2F)n(C2CCCC2)c1C 12409176 UHKZLTGMQPANAQ-UHFFFAOYSA-N 440.540 5.444 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1cc2c(s1)CC[C@H](C)C2 12481300 OYBVTNPVOGMTQL-LBPRGKRZSA-N 425.381 5.281 0 40 IKAB C[C@@H](NC(=O)c1ccco1)c1nc2ccccc2n1CCCCOc1ccccc1Cl 12547270 NFMOZXUGUGLRGH-QGZVFWFLSA-N 437.927 5.633 0 40 IKAB Cc1ccccc1[C@@H](C)NC(=O)c1cnn(-c2ccc(C(F)(F)F)cn2)c1C(F)(F)F 12734007 PDQSWSDFAYPDOI-GFCCVEGCSA-N 442.363 5.104 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 12945277 RUBBXNWTDMWONF-UHFFFAOYSA-N 427.504 5.373 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)Nc2ccc3c(c2)nc(C)n3-c2ccccc2)cc1 13074863 ROWZKWCVODONIE-UHFFFAOYSA-N 427.504 5.334 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N(Cc1ccccc1)Cc1ccccc1 13130465 OKFOELQQEHPPBG-XMMPIXPASA-N 441.600 5.662 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccccc3)c2)cc1 13628692 BVEBNMWSUYIQGE-UHFFFAOYSA-N 431.561 5.363 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc1 13799336 JCOSWLKWFVQNSZ-VPUSJEBWSA-N 446.978 7.070 0 40 IKAB CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13955536 LJBYWYWIOGJJHK-WXTAPIANSA-N 431.580 5.497 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CCc2sccc2[C@@H]1C 14202224 XFRBUYIPFUCPOR-SFHVURJKSA-N 443.572 5.428 0 40 IKAB COc1ccc(NC(=O)c2sc3c(c2C)[C@H](c2cccc(Cl)c2)CC(=O)N3)cc1 15106710 IFHXIXPUKRRMKX-KRWDZBQOSA-N 426.925 5.445 0 40 IKAB COc1cc(C(=O)N(C)[C@@H](c2cccs2)c2c[nH]c3ccccc23)cc(OC)c1OC 15835566 NXOJMVJWZGEDQJ-JOCHJYFZSA-N 436.533 5.117 0 40 IKAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 15999218 XAAMDARJJXKHEV-CQSZACIVSA-N 429.995 5.334 0 40 IKAB CCC(=O)N1N=C(c2ccc(Cl)cc2)Sc2c1nc(-c1ccccc1)n2C(=O)CC 16806870 NPAASGCNUOLGGF-UHFFFAOYSA-N 438.940 5.464 0 40 IKAB Cc1cccc(-c2nnc(SCc3c(F)cccc3F)n2-c2ccc(Cl)cc2)c1 16807870 IFEQPCULSAQOAY-UHFFFAOYSA-N 427.907 6.467 0 40 IKAB O=C(CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)NCCC1=CCCCC1 16849194 PHRUBYOLNIEJAO-UHFFFAOYSA-N 432.977 5.380 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)F)C[C@@H]([C@H]1CCCN(C(=O)CCc3ccccc3)C1)N2 19084016 RAHNGCUXMZUGPG-SLFFLAALSA-N 444.570 5.042 0 40 IKAB Clc1cc(Cl)cc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c1 22108115 DVQHHMYHOWRDAI-UHFFFAOYSA-N 446.363 5.111 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1C 24672921 GCJWMCIRBYGIOG-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)c1cccc(Br)c1 26124299 AHRFAYKHKAALLY-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB CCCN(c1ccc2sc(C(=O)N(CC)CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209331 PLCDMNNRXDYQFS-UHFFFAOYSA-N 444.622 5.297 0 40 IKAB COc1cccc(Cn2nc(C)c(NC(=O)C(c3ccccc3)c3ccccc3)c2C)c1 32610115 DTEDBWIJGSGWLK-UHFFFAOYSA-N 425.532 5.327 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(C)c(C)c3)o2)sc(C(=O)OC)c1C 33729760 XJJJAWLZFRRFBX-UHFFFAOYSA-N 441.505 5.149 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)cc1C 34890922 NNSCDSWLFXEXTK-UHFFFAOYSA-N 427.344 6.853 0 40 IKAB O=C(CCc1ccccc1Cl)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 40050750 UGYUHGISUQANJH-UHFFFAOYSA-N 446.978 5.378 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@@H]2c2ccccc2Cl)cc1 40485665 VVCARATVMMFVQU-JOCHJYFZSA-N 440.326 6.055 0 40 IKAB Cc1nc(-c2cccc(NC(=O)Cc3csc(Nc4ccc(Cl)cn4)n3)c2)cs1 49029718 SBVREYJLYLHRIJ-UHFFFAOYSA-N 441.969 5.548 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCn2c(C(=O)c3ccccc3)ccc21 51364481 CBIQJSNQVNZDNM-JOCHJYFZSA-N 434.495 5.076 0 40 IKAB CCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(C4CCCCC4)cc3)cc2s1 57313864 ITKHHDAAQRLDIZ-UHFFFAOYSA-N 437.565 5.710 0 40 IKAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(NC(=O)c4cccs4)cc3)cs2)cc1 58192391 PVARVNRATRIKJK-UHFFFAOYSA-N 447.585 5.405 0 40 IKAB CCC(CC)(NCn1nc(N(C(C)=O)C2CC2)sc1=S)c1ccc(Cl)cc1 58305350 BCERHYIFPDQIOB-UHFFFAOYSA-N 425.023 5.105 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NC(=O)/C=C/c1cc(Br)ccc1F 65488526 ULWLMRDZOAEFGZ-FPYGCLRLSA-N 428.261 5.131 0 40 IKAB O=C(C1CC1)N1CCCCC[C@H]1C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 69778814 IYXMMFFWTCJCIQ-SFHVURJKSA-N 429.914 5.151 0 40 IKAB C[C@@H]1CCc2noc(C3CCN(C(=O)c4ccc(COc5ccc(F)cc5)o4)CC3)c2C1 72392451 YUBMPQQFCHGYEF-MRXNPFEDSA-N 438.499 5.130 0 40 IKAB Fc1ccc(/N=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1 100813553 TZXKGBDFDBDPOS-LVWGJNHUSA-N 434.268 6.110 0 40 IKAB O=C(/C=C/c1ccc(F)cc1)Nc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1)N2 100880229 RBDULFMVGAQDCJ-HRNYAPDYSA-N 437.478 5.125 0 40 IKAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 101104921 SLBBMVAFOFXSKA-NQPYUKKHSA-N 447.534 5.509 0 40 IKAB Cc1ccc(C(=O)N[C@H](c2nnc(SCc3ccc(Cl)cc3)n2C)C(C)C)cc1 107625758 GIKGGZSGGLYXCU-IBGZPJMESA-N 428.989 5.196 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccc(OCc2ccccc2Cl)c1 219846872 YABNBIFTSZUUCK-QHCPKHFHSA-N 435.951 6.260 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222654977 HFVWULVLJASFKP-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSc1ccc(C)cc1 223028258 ZYNUBEWPFQTCNH-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223364684 KDTCKDHAHCMNNY-GOTSBHOMSA-N 449.963 6.069 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)cc1C 223470678 HRSASTVGXYXBND-GOSISDBHSA-N 433.423 6.008 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCC1 223532579 LQNKQGVAASRQPD-ZEQRLZLVSA-N 431.609 5.183 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 223807732 UHEOGYSCPCVHII-HSZRJFAPSA-N 429.004 5.223 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 223837567 MNHSABRGPDBSLA-UHFFFAOYSA-N 432.967 5.010 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2C)cc1 224207921 LTJNELUABZEGQT-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(-c2ccccc2)cc1 224217639 MOAHGKPAJYPEBI-UHFFFAOYSA-N 445.465 6.472 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224359808 AGCWCNFGRILBDD-DQEYMECFSA-N 439.588 5.568 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224518989 VORFQFYIPUOYTJ-FQEVSTJZSA-N 431.576 6.453 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 224621425 QRDCNSSPXGDZHJ-VWLOTQADSA-N 438.612 5.077 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224668380 QWUAIQRLBJWPMS-JOCHJYFZSA-N 447.044 5.402 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)c(OC)c3)o2)cc1 224919876 RNGBYHOUNTVLQG-UHFFFAOYSA-N 444.487 5.677 0 40 IKAB COc1ccc(CCNC(=S)Nc2cccnc2Sc2ccc(Cl)cc2)cc1 225191001 PUHPSJRJRYFURL-UHFFFAOYSA-N 429.998 5.424 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCCC2)ccc1O[C@@H](C)CC 225761199 ONAKYMSRFFCWMH-SFHVURJKSA-N 441.543 6.020 0 40 IKAB COc1ccccc1-c1ccc(CC2(C(=O)NCc3ccccc3F)CCOCC2)cc1 257304886 SNNBNWJWTNFLAM-UHFFFAOYSA-N 433.523 5.157 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ccc(Br)cc3)ccc21 408599916 OGVJPUKVMHCVNU-UHFFFAOYSA-N 439.378 6.308 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC2CCCCCCC2)c2cccc(Cl)c2)cc1 408617106 HPBJCHNTARDIDU-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB O=C(O)/C(=C/c1ccc(Br)s1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408634447 RJOQJCAIWIKPNT-XFFZJAGNSA-N 442.747 5.167 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cccc(C)c2C)cc1 408697955 KIAGRVMKESVNPP-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(Cl)c2)c1 408698653 QXIWXRXCVJTTPK-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB CCOc1c(Br)cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)cc1OC 409109918 NXNWMXQQGRBWBV-YVLHZVERSA-N 430.342 5.400 0 40 IKAB Cc1ccc(-n2cccc2/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409127048 GOLZXENZJHKXGE-CJLVFECKSA-N 436.964 6.108 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c(C)c1 409171561 DPNNIAWOPXACRP-HHHXNRCGSA-N 444.600 5.681 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)cc1 409380553 GUKHEYKTUAZIHM-UHFFFAOYSA-N 425.553 7.332 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)nc(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 409386434 TXMMDUGECDUPCX-UHFFFAOYSA-N 438.767 6.143 0 40 IKAB COc1ccc(CN2CCC[C@@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cc1 585262935 PWVWLPJMWNDAIB-LJQANCHMSA-N 432.955 5.438 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037835006 QPEURTQPNNIPQK-MRXNPFEDSA-N 426.948 5.239 0 40 IKAB COc1ccc([C@@H]2[C@@H](Oc3ccc(Cl)cc3)C(=O)N2c2ccc(F)cc2)cc1OC 720739 XZJATTBGOKZMLP-FGZHOGPDSA-N 427.859 5.032 0 40 IKAB Cc1cccc(NCc2n[nH]c(SCC(=O)Nc3ccccc3-c3ccccc3)n2)c1 863691 NSGCBZPDDDATAU-UHFFFAOYSA-N 429.549 5.123 0 40 IKAB Cc1cccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 1339017 GUNKHXXRYZNRDE-QHCPKHFHSA-N 433.577 5.289 0 40 IKAB O=C(Nc1ccc(Br)cc1Br)c1cccc(Br)c1 1434618 GGQPKZZFCLSNMP-UHFFFAOYSA-N 433.925 5.226 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)/C(Br)=C/c1ccccc1 1809185 HIBOTHWAJCOPHH-UYRXBGFRSA-N 440.724 5.946 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cccc(Cl)c1 2325145 SFPVQGGPSHCUIO-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB COc1cccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)c1 2347907 ROTTUIPGWGFYKI-UHFFFAOYSA-N 445.563 5.352 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2c(C)cccc2C)cc1 2407891 MPHKYVGUGGLIQK-UHFFFAOYSA-N 428.532 5.548 0 40 IKAB Cc1oc(-c2cccc(C(F)(F)F)c2)cc1-c1nn2c(-c3ccccc3)nnc2s1 2428845 XZJATSWPURVSOH-UHFFFAOYSA-N 426.423 6.107 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2ccccc2F)cc1 2438291 MNBFPLWJQIEPHN-UHFFFAOYSA-N 447.897 5.561 0 40 IKAB CC[C@H](C(=O)Nc1ccc2c(Cl)c(C(=O)OC)sc2c1)n1nc(C)c(Cl)c1C 2805189 SMHRKIXISOAKOK-CYBMUJFWSA-N 440.352 5.398 0 40 IKAB O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)OC[C@@H]1CCCO1 3164002 PDFINVHQUYHSJC-JOYOIKCWSA-N 436.550 5.007 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3ccc(C(=O)O)cc3)n2-c2ccccc2)cc1 3666143 XSNZRSSFSDSWOF-UHFFFAOYSA-N 443.572 6.222 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Oc2ccccc2-c2ccccc2)nc1 6144073 XLSBSJROHAHCLN-UHFFFAOYSA-N 430.529 5.756 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)cc12 6321726 WSEOPIVTWLKZCD-UHFFFAOYSA-N 437.584 5.816 0 40 IKAB COc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccc(C)cc4)=NN32)cc1 8426749 GGVLFDRIUMBEKG-ISKFKSNPSA-N 449.348 6.008 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2)cc1 8452368 UIJHTWHEUQXHBN-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB COc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc23)cc1 8722276 NAOBMVCYYRIWOG-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc(Oc2ccccc2)cc1 8757139 AHXUNTSYJQCXDG-UHFFFAOYSA-N 439.514 5.281 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)COc3ccc(C(C)(C)C)cc3)sc2c1 8903738 IBAILYRERVBJPC-UHFFFAOYSA-N 426.538 5.177 0 40 IKAB CCOc1c(Cl)cc(C(=O)N(Cc2ccc(Cl)cc2)C[C@@H]2CCCO2)cc1Cl 8915437 BOILMHDEQUUBCA-KRWDZBQOSA-N 442.770 5.867 0 40 IKAB Cc1ccc(C)c([S@](=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 8925802 IIEMZTDDLUIKAO-MHZLTWQESA-N 439.389 5.480 0 40 IKAB Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNC1CCCCC1 8926145 RCUPCYLSLFLHBU-SANMLTNESA-N 438.615 6.567 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nncs2)cc1 9215721 KCHRNDOCUBHYDC-GOSISDBHSA-N 437.908 5.171 0 40 IKAB COc1ccc2cc(CN(C)C(=O)c3cccc(OCc4c(C)noc4C)c3)ccc2c1 9216901 YAOSDRNCBFGMMF-UHFFFAOYSA-N 430.504 5.304 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)N[C@H](c1ccccc1)c1cccs1 9256062 ILGXDOPEQXLNCF-AUSIDOKSSA-N 433.602 5.401 0 40 IKAB CCCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 9355604 GBSKHQJWIVEOGS-NIYFSFCBSA-N 431.580 5.578 0 40 IKAB COc1ccc2nc(O)c(CN(C(=O)c3cccc(Cl)c3)c3ccc(C)cc3)cc2c1 9431091 GDCKZNHKHHUSNB-UHFFFAOYSA-N 432.907 5.758 0 40 IKAB CCOC(=O)Cc1csc(SCc2cc(F)cc3c2O[C@@H](c2ccccc2)OC3)n1 9439713 MRAFIKGXCAKSIM-NRFANRHFSA-N 445.537 5.288 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)cc1NC(=O)c1ccco1 9579261 BGGSXKRTESVUQC-UHFFFAOYSA-N 444.462 5.702 0 40 IKAB CC1(C)N=C(SCC(=O)Nc2ccc(Cl)cc2)C(c2ccc(Cl)c(Cl)c2)=N1 9599301 FNJIJGMKYXBNGT-UHFFFAOYSA-N 440.783 5.956 0 40 IKAB CCc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 10156936 SGSILGRKDXDYHD-HNNXBMFYSA-N 437.330 5.573 0 40 IKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cncc(Br)c1 10971662 WFIZLYUZUULYTB-UHFFFAOYSA-N 442.260 5.163 0 40 IKAB Fc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@H]3CC(c4ccc(Cl)cc4)=NN23)cc1 12193885 VJFMKVICVXBPSM-IRLDBZIGSA-N 447.724 7.028 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C(C)C)cc1 12414318 QQRLQZXZRPHZRQ-UHFFFAOYSA-N 429.563 5.434 0 40 IKAB Cc1sc(NC(=O)c2ccc(C(C)(C)C)cc2)c(C(=O)c2ccc(Cl)cc2)c1C 12484629 FCBMKXYPYJCMOE-UHFFFAOYSA-N 425.981 6.799 0 40 IKAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 13064825 PPORNZZGUNGVFE-DEOSSOPVSA-N 448.615 5.142 0 40 IKAB CCc1nnc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CC[C@@H](C)C4)s1 13065303 KDJFDMAQFSPNGK-LLVKDONJSA-N 447.655 5.084 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 13141107 QOCHHSOGCDJDKP-UHFFFAOYSA-N 426.545 5.351 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 13596866 DXEFUKFKUMSOOP-QRWLVFNGSA-N 433.371 5.339 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)cc1C 13667709 RTOBZBSAYIAHGG-LJQANCHMSA-N 434.561 5.004 0 40 IKAB O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 13717348 PUXORFRMGKIODY-UHFFFAOYSA-N 442.559 5.169 0 40 IKAB Cc1cc(C)nc(-n2nc(-c3ccc(Cl)cc3)c3c2N=C(O)C[C@@H]3c2cccc(O)c2)n1 13731372 QFNHGNPXICZRQR-LJQANCHMSA-N 445.910 5.429 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccc(Cl)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 13757587 SALBNUSWSPILRS-QHAWAJNXSA-N 439.298 5.045 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 14272063 LDUHTVFPDUAGEC-UHFFFAOYSA-N 444.943 7.437 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Cc3ccncc3)cc2)c1Cl 14273204 ZOSGUKILLNGOEA-UHFFFAOYSA-N 449.765 6.267 0 40 IKAB C/C=C/[C@H]1[C@H](C(=O)c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)C=C(C)[C@H]2CC[C@H](C)C[C@@H]21 14515798 BYVVOONSAAQMKI-RFKCMYLBSA-N 433.548 5.457 0 40 IKAB biogenic,in-vitro Cc1cc(-c2ccsc2)nc(C2CCN(C(=O)CCc3cn(C)c4ccccc34)CC2)n1 19118511 HBQYHKHBPDFVMB-UHFFFAOYSA-N 444.604 5.344 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 19634980 QCLLUVRWQVHVFE-UHFFFAOYSA-N 441.909 5.557 0 40 IKAB COc1c(C)cccc1CN1CCCC[C@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 19764792 ABRUFUVBXJCIPV-QHCPKHFHSA-N 448.542 5.221 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140125 AQCAWJUCZGPWQL-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OCC 20672308 YCSKCMOGEGSOJH-XMMPIXPASA-N 449.551 5.464 0 40 IKAB O=C(CCCOc1ccccc1)Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 22181900 YUCZQYQDXJALDA-UHFFFAOYSA-N 432.398 5.348 0 40 IKAB O=C(Nc1cc(Cl)ccc1OCC(F)(F)F)c1ccc(Br)cc1F 23074896 JGNBONUYRDKBSU-UHFFFAOYSA-N 426.591 5.435 0 40 IKAB O=C(CSCc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)Nc1ccc(Cl)cc1 28000901 VMJFHZCFZKBQTK-UHFFFAOYSA-N 441.965 5.177 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32114669 VVQQJWBHFQEYKH-UHFFFAOYSA-N 442.515 6.425 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2nc3c(Cl)c(Cl)ccc3s2)c1 32126856 LPRVFQKWCJDARO-UHFFFAOYSA-N 426.350 5.129 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNc1ccc(F)c(Cl)c1 35018420 NHDZUMCNLDTXDE-UHFFFAOYSA-N 437.534 6.015 0 40 IKAB FC(F)(F)c1ccc2c(c1)CCCN2Cn1nc(-c2cccnc2)n(C2CC2)c1=S 36398038 CAVNOPUHXAURDO-UHFFFAOYSA-N 431.487 5.240 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40034361 GFMSSBZZKLJRSJ-LBPRGKRZSA-N 441.375 5.620 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(=O)N2CCc3ccccc32)cc1 44086421 KRZAGDOMGZTCPJ-UHFFFAOYSA-N 425.557 5.529 0 40 IKAB CCOC(=O)c1cc(NC(=O)CSCc2c(Cl)cccc2Cl)ccc1Cl 44839908 JIZKSQDKLRTXOT-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCc1nnc(-c2ccsc2)o1)C1CC1 57997080 RLLLVUZQSDZVRI-ZDUSSCGKSA-N 435.471 5.502 0 40 IKAB C[C@@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)C(=O)NC(C)(C)C 58008662 KWXZEGAADCBFSK-OAHLLOKOSA-N 431.565 5.135 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)cc2)CC1 59294291 KXWQNZJPKWHKQK-JQIJEIRASA-N 443.547 5.047 0 40 IKAB C[C@@H](Sc1nc2ccc(NC(=O)c3ccccc3)cc2s1)C(=O)Nc1nccs1 59489613 DVNWOCBSPHFQLQ-GFCCVEGCSA-N 440.575 5.124 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc([S@@](C)=O)cc1 72300835 VAGHIVIYRWXHHQ-HPGBDJQBSA-N 432.895 5.171 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C(C)(C)C)CC1 72345276 BRNZGUJXELZJIH-UHFFFAOYSA-N 426.626 5.137 0 40 IKAB CCc1ncc(CN2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)cn1 72358217 BHAUEEKXXUMMLJ-QFIPXVFZSA-N 426.486 5.381 0 40 IKAB COc1cccc(-c2nc3c(s2)CN(C(=O)[C@H](C)Cc2ccccc2Cl)CC3)c1 72392035 JGSALPUQEHECAZ-OAHLLOKOSA-N 426.969 5.236 0 40 IKAB Cc1cc(=O)oc2cc(CCCCCCCCCCCCCCCCCC(=O)O)ccc12 80403714 UNGLODKQYWRUCC-UHFFFAOYSA-N 442.640 7.970 0 40 IKAB COc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(OC)c1Br 96319383 SEZPEQPQFOLEAH-UHFFFAOYSA-N 428.282 5.511 0 40 IKAB CC1=C(CC(=O)Nc2cccc(O)c2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101480030 IIVJQLHMWVTLKK-QYTKIBOQSA-N 447.531 5.625 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)cc1)[C@H]1C[C@@H]2CC[C@@H]1C2 102118986 OAYISQICTHPCKE-FZZOYGMESA-N 442.603 6.027 0 40 IKAB O=C1S/C(=C\c2ccc(C(F)(F)F)cc2)C(=O)N1Cc1c(Cl)cccc1Cl 106717655 WULOFZSEHBQNJT-NVNXTCNLSA-N 432.250 6.249 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1C1CCCCC1 223341854 SWXLRPYWPRMTMO-RPWUZVMVSA-N 434.609 5.771 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223372648 DYRIBMRVSQKERX-WNCULLNHSA-N 442.603 5.092 0 40 IKAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 223424414 KRUQUIDTKMZQQJ-AREMUKBSSA-N 448.994 5.569 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223926435 VGKAWPBHGHBYTF-UHFFFAOYSA-N 442.540 5.007 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 223946928 AGCDVSJCYMIIDF-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CC(C)Oc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 224015997 SXNHQZFLVMQJPR-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1ccc([C@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C(C)C)c(C)c1 224025974 LUIIEIGQAFLEPI-XMMPIXPASA-N 436.577 5.231 0 40 IKAB CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1C 224063421 KEXOUHLUHBFEII-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N(C)Cc3cccc4ccccc34)c2)c1 224078507 NCGIYADUZZIIPH-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(C)c(C)c1 224292101 PTTKFVIPNGYGEF-UHFFFAOYSA-N 425.912 5.805 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1COc1ccccc1 224364054 IVVDPYCUQWETIX-UHFFFAOYSA-N 439.511 6.709 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(OCCSc4ccccc4)cc3)s2)cc1 224644002 GJEZSGDSIFYXJX-UHFFFAOYSA-N 447.585 5.937 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1CSc1ccc(C)cc1 224664233 OVAQUXSLZIGWCC-UHFFFAOYSA-N 437.561 5.956 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1CSc1ccc(Cl)cc1 224675303 CISBKVGBQCQKLU-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224733017 OYRLMTJQMXJEGO-OAQYLSRUSA-N 438.637 5.262 0 40 IKAB CCc1nc2ccc(NC(=S)N[C@@H](CC(=O)O)c3ccc(SC)cc3)cc2s1 225229707 FSDFLXFMFBZNIE-INIZCTEOSA-N 431.608 5.083 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225246365 WKKSHJCHANLHAQ-CABCVRRESA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 225493924 KVSYOSIGLGJIKY-GCJKJVERSA-N 447.044 5.463 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(OC)cc32)cc1Cl 225683848 CSXBTVQARRDHDI-SFHVURJKSA-N 448.972 5.114 0 40 IKAB C[C@@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225740017 SQRPZOZXHYGABE-HXUWFJFHSA-N 447.673 6.107 0 40 IKAB CCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408561071 GHLNVOPUJMFVSM-GYHWCHFESA-N 430.957 5.211 0 40 IKAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1c(Cl)cccc1Cl 408573266 JMZIJJGCUNPIIM-UHFFFAOYSA-N 436.360 6.029 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc(Cl)c1OCC 408625075 WSAJIHATCFJPRA-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB O=C(O)/C(=C/c1cc(Br)c(N2CCCCC2)o1)Sc1nc2ccccc2[nH]1 408634776 UKHANHWVHBEMHL-WJDWOHSUSA-N 448.342 5.127 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408697437 HNCZTPGXOLNMLY-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725390 OLUSHNLAQWTKBF-UHFFFAOYSA-N 449.941 7.112 0 40 IKAB O=C(Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@@H]23)cc1)c1ccccc1 408991065 MOBMMUOHGMJRQC-HKTXXRBESA-N 439.511 5.901 0 40 IKAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1cccc2ccccc12 409004347 ANHVXQBRTASQFD-UHFFFAOYSA-N 441.512 5.686 0 40 IKAB CCCOc1c(I)cc(CNc2cccc(C)c2C)cc1OCC 409131291 IQHCIIRVIADYNV-UHFFFAOYSA-N 439.337 5.708 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccc(C=O)o2)ccc1Cl 409184947 ZAQCXLBAFDCRPW-UHFFFAOYSA-N 432.259 5.170 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCC(=O)Nc1ccccc1 409259907 HMNMGPATHFSEST-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1cc(-c2cc(C(=O)Nc3cccc(-c4ncco4)c3C)c3c(C)noc3n2)c(C)s1 553054900 LHRIRHOGNTYLMD-UHFFFAOYSA-N 444.516 6.092 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2 1615527144 YMUUVCGZHGOOAH-HSZRJFAPSA-N 445.534 5.187 0 40 IKAB COc1ccc(CC[C@H](C)NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)cc1 2037845766 KSMMGVVSMQBCQT-SFHVURJKSA-N 437.559 5.128 0 40 IKAB CSc1ccccc1NC(=O)N1CCC[C@@]2(CCCN(Cc3csc(C)n3)C2)C1 2056224382 PHVVAKUTJBPYMI-JOCHJYFZSA-N 430.643 5.084 0 40 IKAB CCCn1c2ccccc2c2nnc(S[C@@H](CC)C(=O)N[C@@H](C)c3ccccc3)nc21 659418 VRTVOYOXZRMDBM-JXFKEZNVSA-N 433.581 5.138 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)Cc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 725746 APAMXHLGKORGCF-UQBPGWFLSA-N 430.523 5.678 0 40 IKAB CCn1c(SCC(=O)N2c3ccccc3Sc3ccccc32)nnc1-c1ccccc1 778513 CZVHSWVOGDDVNF-UHFFFAOYSA-N 444.585 5.887 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2-c2ccccc2)nnc1-c1ccc(Cl)cc1 869904 BLXCNDRQIMKQPO-UHFFFAOYSA-N 434.952 5.533 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2sccc2C)n2nc(-c3ccccc3)nc2N1 956260 WTBONVDMCPACTP-HXUWFJFHSA-N 427.533 5.243 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)NC3CCCCC3)cc2c1 1327657 RGZRSEOQQPILNF-UHFFFAOYSA-N 439.581 5.033 0 40 IKAB COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2C)c1 1463818 YEINXDLUTFRMEZ-UHFFFAOYSA-N 443.480 5.606 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)c(C)c2)CO4)cc1 2122765 ZFTLSEUDMSKIJD-UHFFFAOYSA-N 427.500 5.750 0 40 IKAB biogenic CCOC(=O)CCc1c(C)c2ccc(OCc3c(C)c(C)c(C)c(C)c3C)cc2oc1=O 2148147 NACJNDHSZFUHBD-UHFFFAOYSA-N 436.548 5.718 0 40 IKAB biogenic CCCCCCc1cc2cc(C(N)=O)/c(=N/c3ccc(Br)cc3)oc2cc1O 2268632 NYCCHENVYBAIBU-LVWGJNHUSA-N 443.341 5.355 0 40 IKAB Fc1ccccc1CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1 2449215 GITLAAITKBRUQM-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)cc1 2452488 PAOIPURZPVUPQP-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@@H]3c2ccc(Br)cc2)cc1 2454052 XUMIDKJPOIZLDS-LJQANCHMSA-N 428.355 5.026 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](OC(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2)c1 2633732 QTGJWRYSSGTROF-ZUSJUXBOSA-N 437.499 5.183 0 40 IKAB O=C(CSc1cccc(Cl)c1)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 3049178 BOQOFJFUISPKGU-UHFFFAOYSA-N 429.781 6.501 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)ccc21 3208221 OYKZWEQNDVTIFF-UHFFFAOYSA-N 439.367 7.588 0 40 IKAB O=C1c2ccccc2-c2nn(C(=O)c3sc4cc(F)ccc4c3Cl)c3cccc1c23 3212912 WTDZUBKTOZANBB-UHFFFAOYSA-N 432.863 5.943 0 40 IKAB CCCCCCOc1ccc(/C=C2/N=C(c3cc(OC)cc(OC)c3)OC2=O)cc1OC 3316557 XGODLSGPEWEWKH-CIAFOILYSA-N 439.508 5.016 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 3372635 WRTXGFQOUSPBBY-JLHYYAGUSA-N 440.421 5.618 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)C)cc2)cc1 3655620 NIAXBORQNYHZMX-UHFFFAOYSA-N 427.500 6.113 0 40 IKAB Clc1ccc(Cl)c(CSc2nnc(-c3ccccc3)n2Cc2ccccc2)c1 3668842 AEDSMPCPNSCUGL-UHFFFAOYSA-N 426.372 6.593 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SC/C=C/c3ccccc3)n2-c2ccccc2)cc1 5485023 XDIVCUJRLQBYDE-JLHYYAGUSA-N 425.601 7.037 0 40 IKAB CC1(C)CC[C@]2(C)CC=C3[C@@]4(C)CC[C@@H]5C(C)(C)[C@H](O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]2C1 5699594 GGGUGZHBAOMSFJ-PFGCRWBMSA-N 426.729 8.169 0 40 IKAB endogenous,in-man Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 8752450 KXTLPTYOKACYIZ-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB COc1ccc(C(=O)Nc2cccc3c(NC(=O)c4ccc(OC)cc4)cccc23)cc1 8873627 JRMIOFKNBVIIQT-UHFFFAOYSA-N 426.472 5.362 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3cccs3)=NN12 9046587 CBZNIZRDUSZYLF-SFHVURJKSA-N 446.414 5.256 0 40 IKAB Clc1ccc(Cl)c(-c2ccc(C3=Nn4c(Cc5ccccc5)nnc4SC3)o2)c1 9119551 XHDTXCOAITTZTL-UHFFFAOYSA-N 441.343 5.794 0 40 IKAB Cc1ccc(/N=c2\scc(-c3ccc(Cl)cc3)n2CCN2CCOCC2)c(C)c1 9363718 ORQLSZYWXSWEPM-BZZOAKBMSA-N 428.001 5.051 0 40 IKAB CCN1CCN(c2ccc(N[C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)cc2)CC1 9367158 FDJXPEHRAHKWLO-MHZLTWQESA-N 442.607 5.237 0 40 IKAB CCc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 9518317 JUKGVWIFPUDOTN-UHFFFAOYSA-N 442.559 6.402 0 40 IKAB O=C(CCSc1ccc(F)cc1)N1CCC(C(O)(c2ccccc2)c2ccccc2)CC1 9592958 ARBQUPZSKQPKNG-UHFFFAOYSA-N 449.591 5.483 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1cc(Cl)ccc1Cl 9633278 PVSYANHJXZWPEN-LBPRGKRZSA-N 433.364 5.571 0 40 IKAB Cc1cc(C)c(C)c(OCC(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)c1 9636658 BPSFMHCYBQGXQV-UHFFFAOYSA-N 427.932 5.131 0 40 IKAB Cc1cc(C(=O)CCC(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c(C)s1 9842271 FXOZGHKQSXXIQN-UHFFFAOYSA-N 447.862 5.182 0 40 IKAB C[C@H](NC(=O)CCCC(=O)Nc1ccc(OCCC2CCCCC2)cc1)c1ccccc1 9851072 YMKZHSMCYKBKQI-NRFANRHFSA-N 436.596 6.022 0 40 IKAB O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 10112688 BWNXOJVWEBFPPU-UHFFFAOYSA-N 438.401 6.228 0 40 IKAB C[C@@H](OC(=O)c1sc2cc(F)ccc2c1Cl)C(=O)Nc1ccc(F)cc1Cl 11443867 VNFCRFNUNUFMLH-MRVPVSSYSA-N 430.259 5.670 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Oc3ccccc3)cc2)n(C[C@@H]2CCCO2)c1C 12535282 OGEXIEMEJQUIKX-QFIPXVFZSA-N 437.565 5.202 0 40 IKAB COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=S)NCc2ccccc2)c1 12563151 NJZYEWJKUAJHJB-XMMPIXPASA-N 445.588 5.238 0 40 IKAB Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5Cl)no4)c(=O)c23)cc1 12879489 GQXRKRZSYXAZKW-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB O=C(CSc1nccn1-c1ccc(Cl)cc1)Nc1ccc(OC(F)(F)F)cc1 13284041 UTQJEEDHMGXPAX-UHFFFAOYSA-N 427.835 5.155 0 40 IKAB CCC[C@@H](C)NC(=O)c1cc2cc(N(Cc3ccc(C)cc3)S(C)(=O)=O)ccc2s1 13584276 GCUDOYMQCPEVHA-QGZVFWFLSA-N 444.622 5.094 0 40 IKAB Cc1ccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)cc1C 13618598 QBQPIPQPNBQTFO-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3Cl)OC2=O)ccc1OC(=O)CC 13928759 ZNSRSGWWHXRAOW-SXGWCWSVSA-N 434.275 5.052 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14397041 BXULVLZRRDSAGL-IBGZPJMESA-N 430.548 5.320 0 40 IKAB CC(=O)c1ccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)n2)CCCC3)cc1 16778556 NDVUTWOFSCVCSU-UHFFFAOYSA-N 437.487 5.088 0 40 IKAB Cc1cccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3cccc(C)c3)c2Cl)c1 19632648 CXBCSWFAYFWMEZ-UHFFFAOYSA-N 440.896 7.554 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(OCC)c1 20672361 SQILLIYQIZVLBX-VWLOTQADSA-N 439.515 5.424 0 40 IKAB COc1ccc(Cl)c(NC(=O)[C@H]2CC(O)=Nc3c(-c4ccc(Cl)cc4)cnn32)c1 20737757 AVZJHTVFZSZDQU-QGZVFWFLSA-N 431.279 5.037 0 40 IKAB COc1cc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)c(OC)cc1Cl 22529208 NYYUTLWANLTWOJ-UHFFFAOYSA-N 433.961 5.529 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N3c4ccccc4C[C@H]3C)c2)cc1 30860576 PWEMSDLUXONHMN-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32096835 LJEZPKVSZJZPJR-UHFFFAOYSA-N 444.962 5.467 0 40 IKAB Cc1cc2oc(C(=O)N(C)[C@H](c3cccs3)c3c[nH]c4ccccc34)cc(=O)c2cc1C 32593463 YWLVXHMGYWDZPS-VWLOTQADSA-N 442.540 5.814 0 40 IKAB O=c1c2ccccc2n2c(=S)sc(-c3ccccc3F)c2n1CCOc1ccccc1 32975103 SKLUKVKSGZTPFV-UHFFFAOYSA-N 448.544 5.930 0 40 IKAB CCOc1cc(C(=S)N2CCC(C)CC2)ccc1OCc1ccc(Cl)c(Cl)c1 33726331 GXWKVDCLHULYKA-UHFFFAOYSA-N 438.420 6.379 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1cccc(Br)c1 35647539 MPILJAMPUDOSCS-VGOFMYFVSA-N 428.138 5.648 0 40 IKAB CN(Cc1ccccc1NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 40039650 AZFQODGHXQTXSF-UHFFFAOYSA-N 428.960 5.057 0 40 IKAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397797 IVMODVLVMXADID-MGPUTAFESA-N 436.943 5.262 0 40 IKAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3cccc(Cl)c3)n2)c1 49001796 GBNLDRPTYARGPN-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB Cc1nc(NC(=O)c2cccnc2Nc2cccc(F)c2)sc1Cc1ccccc1F 65476555 KQHRULRNTXFIRH-UHFFFAOYSA-N 436.487 5.711 0 40 IKAB Cc1cc2nc(C3CCN(C(=O)c4oc5ccccc5c4C)CC3)cc(C(F)(F)F)n2n1 72340825 XPRQRVFJXWXLKS-UHFFFAOYSA-N 442.441 5.131 0 40 IKAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC(=O)N(c2ccc3c4c(cccc24)CC3)C1 95481761 QLKAAEQFNBDCGN-IBGZPJMESA-N 439.540 5.054 0 40 IKAB CN1[C@H]2CC[C@H]1CC(NCC(=O)N1c3ccccc3Sc3ccc(C(F)(F)F)cc31)C2 100925500 ZQTWIVCZRWGKNL-IRXDYDNUSA-N 447.526 5.050 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 222719966 KJZUNXWGCBOWGE-PNTFMKQHSA-N 446.620 5.786 0 40 IKAB CCc1ccc(CC)c(CNC(=O)COc2ccc(C(C)(C)C)cc2Br)c1 222734488 GPBXPLKQPRHAEW-UHFFFAOYSA-N 432.402 5.567 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 223314425 YIEBMLHQBRORMD-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 223611281 KNMVLFBPDCQPQX-XMMPIXPASA-N 440.653 5.509 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223870396 WNWLXJZFHPTDSY-KRWDZBQOSA-N 449.422 5.603 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 224269182 ZTYBLRNMSGDDEW-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccccc1C 224301805 KXDKPLCRWMYVAO-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1CSc1ccc(C)cc1 224663461 FDKHLQGFDODVEY-UHFFFAOYSA-N 445.506 6.957 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 224725757 YOFLCHXUHCFNBI-HSZRJFAPSA-N 429.004 5.161 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(NC(C)=O)c3)o2)cc1 224923172 RPDCQXKXXGCBKP-UHFFFAOYSA-N 441.487 5.618 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225160804 ZFPMQVIZQVXBOE-AREMUKBSSA-N 430.592 5.414 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 225217499 XSHIPTUGHGGBKX-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 225253178 KNTGDXCNWYGFQP-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB Fc1ccccc1CSCCCNC(=S)Nc1ccc(Br)cc1F 225612646 NKFSCOPQLZUQHJ-UHFFFAOYSA-N 431.371 5.337 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1cc(Cl)ccc1Cl 225803849 UUKWXLGUCQMIRM-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB C[C@@H]1CCC[C@@H](OC(=O)c2cc(Cl)c(Cl)c(-c3cc4ccccc4oc3=O)c2)C1 226357724 XIWOIPGKTNLKLD-CZUORRHYSA-N 431.315 6.502 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OCCO)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609317 NPYXBHZQVNRAOF-IOBIFIASSA-N 430.717 7.405 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2cccc(F)c2)nc1COc1ccc(F)c(Cl)c1 257201543 AIAUEGCYQRSQGJ-HXUWFJFHSA-N 445.853 5.027 0 40 IKAB COc1ccc(CC(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1 257209020 BOQBGRSSLRFLPN-UHFFFAOYSA-N 430.479 5.235 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)cc1 257251014 JPAPHTFWLUHKPH-DEOSSOPVSA-N 444.575 5.622 0 40 IKAB O=C(c1ccc2[nH]ccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(C(F)(F)F)c3)n2)C1 257280078 OJIUYLLKBNCNIO-HXUWFJFHSA-N 449.476 6.269 0 40 IKAB COc1cc(C(=O)Nc2ccc(O)cc2)cc(Br)c1OCc1ccc(C)cc1 408551143 BXDPCSDSFMSAPU-UHFFFAOYSA-N 442.309 5.303 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Cl)n(CC)c1-c1ccc(Cl)c(Cl)c1 408564460 YLNIJUNFVRZYDT-GFMRDNFCSA-N 439.795 6.500 0 40 IKAB O=C(O)/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)Sc1nc2ccccc2[nH]1 408634364 QBROHGILEQSZLT-QRVIBDJDSA-N 443.503 5.923 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@H]1C(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 408662480 RPGFUBWZWNSBSM-YJPXFSGGSA-N 446.330 5.020 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)cc1 408693709 CGWYTEIHQULFRG-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408697147 FAZAYTOENWIGOA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2C)n1 408726030 RNETVDMMCRRXJB-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB Cc1cccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1C 408736846 JCTPCEFXWIEQER-DEOSSOPVSA-N 427.504 5.123 0 40 IKAB Fc1ccc(COc2ccc3ccccc3c2CNc2ccc(Oc3ccccc3)cc2)cc1 409112754 CSDGIKMRPVICSQ-UHFFFAOYSA-N 449.525 7.962 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)C34CC5CC(CC(C5)C3)C4)sc3c2CCCC3)cc1 409116737 OOGKWSZVFFTPMN-UHFFFAOYSA-N 448.632 6.343 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 409184473 YGPMJILPRMRIQP-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 409376693 CPXPWTKTFWYGGZ-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCN(C(=O)c3cccc(Cl)c3F)C2)n1 585263288 ANXFWZGWPIHKHF-AWEZNQCLSA-N 445.951 5.106 0 40 IKAB Cc1cc(C)c2c(c1)OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585265925 XRHZVAOKLLBETG-PBXDDXTRSA-N 438.564 5.824 0 40 IKAB O=C(c1cccnc1-c1cncs1)N1CCCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 1848353322 BWYUEDCJXRBUQH-HXUWFJFHSA-N 448.523 5.290 0 40 IKAB CCOC(=O)C1=CN(c2ccc(C)cc2)C=C(C(=O)OCC)C1c1cccc(Cl)c1 717186 PPYFZLVGIZQHDT-UHFFFAOYSA-N 425.912 5.146 0 40 IKAB CN(C(=O)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl)C1CCCCC1 848533 RYYUUOSOMSQJKR-UHFFFAOYSA-N 426.826 5.066 0 40 IKAB Cc1cc(C)cc(NC(=O)Cn2c(-c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c1 1106401 YJVQALHLHTZZHG-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB COc1ccc(CNC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)cc1 1378868 SIINVLLUBNPVJI-UHFFFAOYSA-N 441.622 5.111 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)cc1 1413987 PTMYEIRLOMYVBH-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1ccc(C)c(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)c1 2079555 RNTXWMHDOIECNA-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CC(C)CCSc1nc2c(c(=O)n1-c1ccccc1)C1(CCCC1)Cc1ccccc1-2 2117770 UUDMVEWEQRDIBT-UHFFFAOYSA-N 430.617 6.406 0 40 IKAB CCCCOP(=O)(OCCCC)[C@H](Nc1ccccc1)c1ccc(Cl)cc1Cl 2375829 FHUHRGZWSPKDEJ-NRFANRHFSA-N 444.339 7.931 0 40 IKAB CCCOC(=O)c1ccc(Oc2coc3cc(OCc4ccccc4F)ccc3c2=O)cc1 2418261 OJXBRVNKQGZLGZ-UHFFFAOYSA-N 448.446 5.870 0 40 IKAB biogenic Clc1ccc(-n2ncc3c2ncn2nc(Cc4cccc5ccccc45)nc32)cc1Cl 2422853 XQEYGXIUVCKCHV-UHFFFAOYSA-N 445.313 5.514 0 40 IKAB COc1nc(-c2ccc(Cl)cc2)ccc1-c1noc(-c2ccccc2Br)n1 2423595 WEYMISQEJBVWDR-UHFFFAOYSA-N 442.700 5.890 0 40 IKAB Brc1cccc(-c2nnn3c2nc(N2CCc4ccccc42)c2ccccc23)c1 2713106 SHVMLGNYOZIBIK-UHFFFAOYSA-N 442.320 5.401 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(NCCc4ccccc4)ncnc32)cc1Cl 2714231 QSOYIDVBDWSREM-UHFFFAOYSA-N 438.962 6.704 0 40 IKAB Cc1cccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3cccc(C)c3)c2Cl)c1 2733486 JUIQBKXRFAXKIR-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB Cc1cccc(NC(=O)c2ccc(OC(=S)Nc3ccc4ccccc4c3)cc2)c1C 3079624 WEVBAJHGTVEQRG-UHFFFAOYSA-N 426.541 6.485 0 40 IKAB COc1ccc(C(=O)[C@H](Sc2nnc(-c3cccs3)o2)c2ccc(OC)cc2)cc1 3287941 SLMDLVPVTAPQSO-HXUWFJFHSA-N 438.530 5.532 0 40 IKAB Clc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 3344960 WSYYMAQOXRQPBB-UHFFFAOYSA-N 425.804 6.278 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)NCCc3ccccc3)C3CCCCC3)cc12 6321718 NENZUXFOKCOOIU-UHFFFAOYSA-N 447.648 5.397 0 40 IKAB O=C(CSCc1ccccc1Cl)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 8417758 VKPXKKJSDMMLMN-UHFFFAOYSA-N 436.920 5.013 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 8446074 JFICPFYXXCDPPC-UHFFFAOYSA-N 435.936 5.690 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc(C)c1Cl 8589872 CENBMRDLLOLBEE-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB O=C(Nc1cccc(-c2cn3cccnc3n2)c1)c1cc(Br)ccc1Cl 8601110 WBYPDUXOVDOCJB-UHFFFAOYSA-N 427.689 5.065 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 8708051 YBTIQAURMMFKBK-QHCPKHFHSA-N 447.991 5.885 0 40 IKAB COP(=O)(OC)c1nc(-c2ccc(C(C)(C)C)cc2)oc1NCc1ccc(C)cc1 8915174 MMYPEZUHYUEHAD-UHFFFAOYSA-N 428.469 5.671 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)c1cccs1)Nc1c(Cl)cc(Cl)cc1Cl 8926496 AIVDCYWKPAOEQL-UHFFFAOYSA-N 443.739 5.582 0 40 IKAB Cc1c(CCC(=O)NCc2ccc(F)cc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 9198945 AZXRYKRVFPVZPS-UHFFFAOYSA-N 449.522 5.842 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9355413 VCYKYQXSFNQKGG-WRONEBCDSA-N 428.535 7.141 0 40 IKAB O=C(NCCCNC(=O)c1sc2cc(Cl)ccc2c1Cl)c1cc2ccccc2[nH]1 9355917 POVRSKDNOGUOMF-UHFFFAOYSA-N 446.359 5.239 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9664052 CWBZHEZPVUKSLW-QHCPKHFHSA-N 428.561 5.665 0 40 IKAB C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9717168 YURMRYNSHZRIAX-LBPRGKRZSA-N 425.535 5.048 0 40 IKAB O=C(CCCSc1nc2ccccc2s1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 9788993 ZWXDUPNJAANDFA-SFHVURJKSA-N 440.590 5.304 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)S(C)(=O)=O)c1 10325000 UYXYDYDFBKFNBY-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC[C@@H](NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1)c1ccc(Cl)cc1 10423595 QQQPJQVEOGKENL-XMMPIXPASA-N 434.967 5.613 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1)c1ccc2c(c1)OCO2 12249828 JSSRHAKOUBFPGL-UHFFFAOYSA-N 434.904 5.654 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2N2CCc3ccccc3C2)cc1 12419663 YDVVWJPGQDQMME-UHFFFAOYSA-N 436.558 5.107 0 40 IKAB CCOc1ccc(-n2c(S[C@H](C)C(=O)NCCC3=CCCCC3)nc3ccccc32)cc1 12542171 YNDYUKFUZSEFRK-LJQANCHMSA-N 449.620 5.912 0 40 IKAB COc1ccc(-n2c(SCC(=O)NC34CC5CC(CC(C5)C3)C4)nc3ccccc32)cc1 12565066 FRGQCERLHODZNE-UHFFFAOYSA-N 447.604 5.211 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)N(Cc1ccccc1)c1nc2c(s1)CCCC2 12580694 ZWDQYMSRLHOXJL-UHFFFAOYSA-N 434.590 5.224 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cc(Cl)ccc1Cl 12679096 FJMGQZDXKLUFSA-JTQLQIEISA-N 439.393 5.768 0 40 IKAB COc1ccccc1-c1csc(N2N=C(C)C[C@@H]2c2cc(OC)c(OC)c(OC)c2)n1 13569122 PVXPFHWAVBJDKA-GOSISDBHSA-N 439.537 5.172 0 40 IKAB CCc1oc2ccccc2c1C(=O)c1cc(Br)c(OC)c(Br)c1 13586699 BFNPMHRTUYWBIA-UHFFFAOYSA-N 438.115 5.760 0 40 IKAB CCCCOCCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12 13942341 PNJUMUKZMQSYGA-MUUNZHRXSA-N 438.571 6.587 0 40 IKAB COc1cc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)ccc1OCc1ccccc1 14185399 ATFAVHIDBQDBJI-UHFFFAOYSA-N 442.515 5.435 0 40 IKAB CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 15974883 YRJSSEWHYUFVCK-CQSZACIVSA-N 432.373 5.891 0 40 IKAB C[C@@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[nH]c(=O)c21 17058530 CAEXUQRJYCOYCC-MHZLTWQESA-N 446.616 6.002 0 40 IKAB O=C(NCC12CC3CC(CC(C3)C1)C2)C1CCN(C(=O)c2cccc3ccccc23)CC1 17062636 OQAXQTDXFVIRNN-UHFFFAOYSA-N 430.592 5.025 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(OC(C)C)c4)cc3)nc2c1 17095947 NJVXNYZLZQEUSN-GOSISDBHSA-N 428.532 7.048 0 40 IKAB CC[C@H](CNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(=S)[nH]c2c1)c1ccccc1 18153240 IROGOTBCMVDFAR-MRXNPFEDSA-N 447.535 5.111 0 40 IKAB O=C(Nc1s/c(=N\c2ccccc2)n(C[C@H]2CCCO2)c1-c1ccccc1)c1ccco1 19898745 SGMMECNIFIRWEO-ZELGORGJSA-N 445.544 5.473 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(OC)cc3)c2c1 20382522 ORUSJUBCNPZQNM-UHFFFAOYSA-N 432.545 5.251 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)Nc1cc(C(F)(F)F)ccc1Cl 22245865 VFZTUQQXVDPDIQ-UHFFFAOYSA-N 429.826 6.259 0 40 IKAB O=C(Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1)c1ccsc1 22593870 KYJIGKQUOYLLSE-UHFFFAOYSA-N 440.518 5.116 0 40 IKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc2c(c1)OCCO2 27912779 WKDPCDPALPPQRU-UHFFFAOYSA-N 438.549 5.352 0 40 IKAB Cc1ccc(-n2ncc(C(=O)Nc3ccc(Nc4ccccc4)cc3)c2C(F)(F)F)cc1 32753447 USBBUMIHEZVQIL-UHFFFAOYSA-N 436.437 6.195 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 33784038 ZIQJCHZCNQDBDU-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB COC1(OC)CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 34556501 GAQBBTSXSYYOIK-JQLPBIJHSA-N 432.733 8.097 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3nc2Cl)C(=O)c2cnccn2)cc1 35290138 QUMNBLMLMHUSSS-UHFFFAOYSA-N 446.938 5.146 0 40 IKAB Cc1ccc2nc(-c3cc(C(C)C)c(O)c(C(C)C)c3)c(Nc3ccc4c(c3)OCO4)n2c1 35615865 BGIULBOJQYWJAR-UHFFFAOYSA-N 443.547 6.734 0 40 IKAB CC[C@@H](C)n1c(=S)[nH]c(=O)c2c(C(F)(F)F)cc(-c3cccc(OC(F)F)c3)nc21 36617082 CBFUFUNAJNWOFI-SECBINFHSA-N 445.413 5.712 0 40 IKAB COc1ccc(-c2cnc(SCc3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 44087754 JGTLZPSBVGRWAN-UHFFFAOYSA-N 440.490 6.859 0 40 IKAB O=C(Nc1ccccc1Cl)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 44225015 PWLRNANCPWEOSO-UHFFFAOYSA-N 433.817 6.255 0 40 IKAB C[C@@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 44904947 FAZSAKDALVFMCD-DWXRJYCRSA-N 448.563 5.133 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccsc3)=NN2C(C)=O)cc1 69375159 CJMXCOCAKXEJEL-DEOSSOPVSA-N 442.544 5.307 0 40 IKAB O=C(Nc1ccccc1OC(F)F)N1CCCC[C@H]1c1ncc(-c2cccc(F)c2)[nH]1 79019480 YLEIJVFQWBESNP-SFHVURJKSA-N 430.430 5.576 0 40 IKAB CC(=O)Nc1cccc([C@H](C)NC(=O)[C@H]2CCCC[C@@H]2c2nc3cc(Cl)ccc3[nH]2)c1 95465142 FFCKGSXQSWBTLQ-GKCIPKSASA-N 438.959 5.326 0 40 IKAB Cc1ccccc1COc1cccc2[nH]c(C(=O)N3CCC(N4CCCCC4)CC3)cc12 96096688 TWGAYPJZTCXDFN-UHFFFAOYSA-N 431.580 5.146 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 96234450 JJPUHLUMBWPLRI-QGZVFWFLSA-N 436.364 5.573 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)/C(=C(\C)O)C(c1ccccc1)c1ccccc1)CC2 100887536 HJWLDOSTUUQPHF-LGUFXXKBSA-N 443.543 5.253 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1C 113937117 ZJZVHTCNTXTKMK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1cc(C)nc(Nc2cccc(C(=O)Nc3ccccc3Sc3ccccc3)c2)n1 170564519 HAWKFFOJZKCJFO-UHFFFAOYSA-N 426.545 6.241 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)NCCCc1ccc(Cl)cc1 218904568 JFBYCULLXTUCCJ-UHFFFAOYSA-N 432.745 5.384 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 222459878 AHLDKQCTUKXDGC-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 222704194 OEKIKZITWVHDCG-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223232153 OYTXHKKEKSVSLF-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224068004 ZNRUJDDQPJHXFG-SANMLTNESA-N 436.640 5.509 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1Cl 224239223 RKWUUIVQUWDNEX-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 224269706 MHIPRYHQFWIHPK-JOCHJYFZSA-N 447.044 5.134 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1cccc(OC)c1 224588056 GLAHRMUMRCSMOH-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C(C)C)c2)cc1C 225150426 XSACYCMKFBGJIY-RPWUZVMVSA-N 447.608 5.298 0 40 IKAB COC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1Cl 225555487 CGQWRMSATLZYEZ-MRXNPFEDSA-N 436.379 6.248 0 40 IKAB Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)ccc1N1CCCC1=O 225811027 LZDCQAZPXHKCNV-UHFFFAOYSA-N 425.573 5.059 0 40 IKAB C[C@H]1C[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@H](C)C1 239415181 TYSKRDIOCOSDQX-QKDCVEJESA-N 449.542 5.389 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1 253499687 MCVIVMYFDOKJSH-WBZBKIPSSA-N 438.608 6.186 0 40 IKAB CCCCOc1ccc(CC(=O)O)cc1-c1cc(-c2ccccc2OC)n(CC(C)C)n1 257296333 RCHWVIXYKNUCHZ-UHFFFAOYSA-N 436.552 5.688 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 408563451 MXFJKRGYBMZLEC-AREMUKBSSA-N 446.572 5.500 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccc(Br)cc2)cc1 408575258 NMCVEWPFKLVZOQ-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408641433 LJSUIFSEYODBNW-NSHDSACASA-N 442.140 5.056 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)cc1 408651879 CNLLCIKDERNWFB-GOSISDBHSA-N 433.935 5.624 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1 408684729 NVIXAHLFQCDKRR-CYBMUJFWSA-N 439.298 5.884 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1 408698027 LECCWOKFPUYDGA-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB COc1cc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)ccc1OCc1ccccc1 409081963 RAQVATLGEMDJMN-QNGOZBTKSA-N 436.577 5.007 0 40 IKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1 409119260 SAWYZWMWFUDEJM-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB COc1ccc(C(=O)N(c2ccccc2)[C@@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 830049 YCYGVALLZKTSPY-RXFWQSSRSA-N 442.559 5.865 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 865995 KYXZGKZXZOKMIX-NHCUHLMSSA-N 436.437 5.949 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C[C@H]2CCCO2)c(C)c1 885056 GITWSWNWWNGORF-OAQYLSRUSA-N 449.620 5.140 0 40 IKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccc(OC)cc3)cs2)cc1 929111 RLKWFBOMACBNFK-UHFFFAOYSA-N 444.556 5.717 0 40 IKAB O=C(Nc1cc(NC(=O)C2CCCCC2)cc(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 1095769 YLVKVKKQPRHGGP-UHFFFAOYSA-N 444.579 6.268 0 40 IKAB Cc1cccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2)c1 1371308 LOTMEPHYZGEJQA-UHFFFAOYSA-N 439.559 5.730 0 40 IKAB Cc1ccc(-c2nc(SCC(=O)c3ccccc3)c(S(=O)(=O)c3ccccc3)[nH]2)cc1 1464746 CHRPFXPBNUAETD-UHFFFAOYSA-N 448.569 5.193 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccnc4Cl)c3)nc2c1 1864303 AOYJGIFIPIBUMK-ZDUSSCGKSA-N 440.330 6.962 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccccc1CC(O)(c1ccccc1)c1ccccc1 1872846 KHMFUCSGTPKEQM-UHFFFAOYSA-N 427.931 6.071 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1OCc1cccc(Cl)c1 2337265 ISUFHTLNSHWKJY-UHFFFAOYSA-N 443.355 5.624 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C 2546442 QTYSJIAALFEGPV-DEOSSOPVSA-N 436.596 6.578 0 40 IKAB Cc1ccc(NC(=O)Cc2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)c(C)c1 2643184 FGYDRBIICLAPDS-UHFFFAOYSA-N 444.556 5.439 0 40 IKAB CCN(C(=O)COC(=O)CCSc1ccccc1Cl)c1cccc2ccccc12 3248243 AZKDCEVOIGXRID-UHFFFAOYSA-N 427.953 5.572 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)sc2c1CCCC2 3344155 HKZWNLUFBZTVSX-LLVKDONJSA-N 442.364 5.516 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2C)cc1C 3360629 YTYCDLXIWNLUEN-UHFFFAOYSA-N 428.557 5.594 0 40 IKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(C(=O)c5ccc(F)cc5)cc4)c23)cc1 3362425 MKIBJVFXNZMKFQ-UHFFFAOYSA-N 440.499 6.829 0 40 IKAB CC(=O)Oc1ccc(-c2ccc(C(=O)N[C@@H](C)c3ccc(Cl)c(Cl)c3)cc2)cc1 3414147 KXYJOYOAVTVSKD-AWEZNQCLSA-N 428.315 6.077 0 40 IKAB CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 4074097 XGDVSJLOTVQNKY-UEADHGJPSA-N 440.712 7.446 0 40 IKAB biogenic CCOc1ccc2nc(NC(=O)c3sc4nc5cc(C)ccc5cc4c3N)sc2c1 6134298 OQDIYWLSQOQXNU-UHFFFAOYSA-N 434.546 5.601 0 40 IKAB Cc1ccc(C)c(NCC(=O)Nc2ncc(Cc3cccc(Br)c3)s2)c1 6161555 DXRSBENRSWMKIS-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB FC(F)(F)c1ccccc1-n1c(S)nnc1COc1ccccc1-c1ccccc1 6190415 WIJYBOFHXLZRDB-UHFFFAOYSA-N 427.451 5.821 0 40 IKAB Cc1nc2c(Oc3ccccc3)cccc2c2c1CCN2c1ccc(OC(F)(F)F)cc1 8873600 PLQSTEQNBGCEAI-UHFFFAOYSA-N 436.433 6.928 0 40 IKAB CCc1ccc(-c2nc(C)c(C(=O)N3CCc4cc(OC)c(OC)cc4[C@@H]3C)s2)cc1 9059037 GJNDEAYQTWBPKR-INIZCTEOSA-N 436.577 5.458 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)o1 9062132 SFZWZUKIYQZUEG-NTCAYCPXSA-N 444.878 5.294 0 40 IKAB CC(C)(C)C1CCC(Nc2ccccc2)(c2nnnn2-c2cccc(C(F)(F)F)c2)CC1 9246806 ILJBFABLJHCJRP-UHFFFAOYSA-N 443.517 6.225 0 40 IKAB C[C@H](Sc1nnc(NCc2ccccc2)s1)C(=O)Nc1ccc(Cl)cc1Cl 9283334 LSQYUANLXXIJGM-NSHDSACASA-N 439.393 5.576 0 40 IKAB O=C(CN1C(=O)C[C@H](c2ccccc2)Sc2ccccc21)Nc1cccc2ccccc12 9345506 CFDHLIZVZPJNNO-RUZDIDTESA-N 438.552 6.049 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccco1 9512797 LFKADMJJRGQSGP-AWEZNQCLSA-N 430.961 5.276 0 40 IKAB COc1cccc(CSc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)c1 9514645 ZEMFZHTXHPTNRF-KRWDZBQOSA-N 426.561 5.254 0 40 IKAB CCCN(C(=O)c1cc(OC)ccc1Br)c1nc(-c2ccc(C)cc2)cs1 9606600 FQTTXJBQLXPYJB-UHFFFAOYSA-N 445.382 5.946 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccccc2CC)nc2c(oc3ccccc32)c1=O 9749520 KDDTWBULKJFJAU-UHFFFAOYSA-N 435.549 5.236 0 40 IKAB CC[C@@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccc(Cl)cn1 12630223 GSWFEKKHUQWZMR-MRXNPFEDSA-N 440.960 5.118 0 40 IKAB COCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C(F)(F)F)c1)CCCC3 12814751 CXLVNVCFHHDTEQ-UHFFFAOYSA-N 440.512 5.083 0 40 IKAB COc1ccc(OC)c(NC(=O)/C(=C/c2ccc(OC(F)F)cc2)c2ccccc2)c1 12845628 AGQYYEYGVJFPIL-XSFVSMFZSA-N 425.431 5.485 0 40 IKAB Clc1ccc(NC2=Nc3cc4c(cc3[C@H](c3ccc(Cl)cc3)O2)OCCO4)cc1 12854859 KVMCJVYNJRXRRV-NRFANRHFSA-N 427.287 5.984 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)c2c[nH]c3ccccc23)cc1 13038526 MNOIIAHXFHHBCG-XMMPIXPASA-N 428.532 5.526 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@H](c1ccccc1)OC2 14812054 IIQKRHZZUQQXOC-ZPIZUECNSA-N 441.458 5.738 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3cc(C)cc(C)c3)n2)cc1Br 15322894 HNPSWVIMNOSZBN-UHFFFAOYSA-N 447.354 5.216 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)Sc1nnc2sc3ccccc3n12 16763471 LAWHQZXGGQUKOG-NSHDSACASA-N 432.958 5.034 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2C)c1 17097139 KJGMWSKQPIHEAS-UHFFFAOYSA-N 430.573 6.721 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc(C)c(C)c4)cc3O)oc2c1 17097534 HNTQIUWKNVNFGP-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccc(F)cc4)nc3cc2C)c1 17097947 CLOXLHLMCYRIHC-UHFFFAOYSA-N 432.499 5.317 0 40 IKAB Fc1ccc(-c2cnc(NCc3cccnc3)nc2-c2cnn(Cc3ccccc3)c2)cc1 19372907 CQZRGVNNBPYPAA-UHFFFAOYSA-N 436.494 5.202 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373116 XJIALMYSOGARCF-IRLDBZIGSA-N 439.563 5.345 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373332 LCZNGMYTIOQZLF-HXUWFJFHSA-N 439.563 5.345 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2Cl)cc1 19933881 OEZCPNGVXQLQDV-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)c1 20040794 DOARXMOOSNREPZ-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)C)cc1 22256979 RBPPOLQSRNODQR-UHFFFAOYSA-N 433.961 5.113 0 40 IKAB O=C(c1cc(Br)ccc1F)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 24002996 QCXWPHUZAMJXSZ-ZDUSSCGKSA-N 435.318 5.024 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2ccc(Br)cc2)cc1 24522633 TXISRTBRRUBBCB-XNTDXEJSSA-N 447.332 6.150 0 40 IKAB Cc1nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c2c3c(sc2n1)CCC3 25387663 BCLQHPBJVUCGOI-UHFFFAOYSA-N 440.616 5.400 0 40 IKAB CCN(C(=O)COc1ccc(C)cc1)[C@@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27991115 NYFLEFZEKOXQNG-MHZLTWQESA-N 428.532 5.502 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2cnn(Cc3ccc(Br)cc3)c2)c1 28231495 UXVIHHRIZZMIPZ-UHFFFAOYSA-N 436.762 5.322 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2Cl)cc1 30860951 YDQDHSDXMUJYIG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CN(c1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(=O)(=O)c1ccc(Cl)cc1 34689785 UBMWTTIJAQLHJK-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 40566540 KPEBLOCUSAZTGS-HHHXNRCGSA-N 440.499 5.092 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2cccc(Cl)c2)cc1 44087308 OUVJWDJOVKHPNB-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccc2ccccc2c1 57312974 BLHJBOZILCNUSF-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1nccs1 67294911 QUBIKRIAWOYATO-GFMRDNFCSA-N 425.897 5.426 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccc(OCc4ccccc4)cc3)no2)CC1 72328599 TXSLGBLHNOMVQN-UHFFFAOYSA-N 435.524 5.430 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cc1 72349875 RMNAQYLMHJVNDJ-FQEVSTJZSA-N 433.939 5.380 0 40 IKAB COc1cc(C(=O)NCC23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)cc(OC)c1OC 95870109 BIAXFTFIYGOAAI-CFZCFRQTSA-N 449.591 5.289 0 40 IKAB C[C@H](NC(=O)C(C)(C)Oc1ccc([C@H]2CC2(Cl)Cl)cc1)c1nc2ccccc2[nH]1 96345306 MLQZFZYFTOXQGC-XJKSGUPXSA-N 432.351 5.259 0 40 IKAB O=c1[nH]c2ccccc2n1C1CCN(CCC[C@@H](c2ccccc2)c2ccc(F)cc2)CC1 199832002 PVCIEUVRTMSCLG-VWLOTQADSA-N 443.566 5.718 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222954155 ANUZZIGHGDWMEO-NHCUHLMSSA-N 433.606 5.255 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 223021363 MKAQVMCJKQGQJC-QFIPXVFZSA-N 428.960 5.461 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1C(C)C 223273494 KZICOEDBGKSAKD-JICACKBISA-N 427.541 5.043 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223848706 SILCAQFWSFVNHM-VGOFRKELSA-N 449.422 5.648 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 224013494 NKKRWTRANLGGCS-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1cc(C)cc(C)c1C 224278318 ZOYYYIUSVADXLP-UHFFFAOYSA-N 443.465 6.471 0 40 IKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224999404 HBDGTHPVLSIUGM-QHCPKHFHSA-N 448.651 5.651 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225442129 RJTJNYQUMOMNMZ-YADHBBJMSA-N 436.640 5.291 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 225504511 OQYAHLVRMADXEX-HXUWFJFHSA-N 434.914 6.743 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(F)cc1 225548996 BMINWRUFGBTQBZ-CVDCTZTESA-N 444.616 5.089 0 40 IKAB O=C(COc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1)N1CCCC1 225553319 DGVBDGABXKSLBH-UHFFFAOYSA-N 440.971 5.182 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576489 JHUKCVMZQPBYSC-UHFFFAOYSA-N 429.750 5.314 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)/C=C/c4ccccc4)[C@@H]3CC[C@@H]2C1 253617328 JBTRSWYBSZRTOK-UDMFDNQFSA-N 436.636 6.405 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cnc3ccccc3c2)CC1 257229402 FXYVTSDGCJYXCA-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB Cc1cccc(Oc2ccc([C@H]3CCCCN3C(=O)c3cccc(-n4cnnc4)c3)cn2)c1 257330575 XOYQBQZVWPCZME-XMMPIXPASA-N 439.519 5.130 0 40 IKAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1ccc(Cl)cc1 408553474 WSTBLEDTSFOYTF-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408671560 ZCYYRQRECRMKTM-FPMFRTRJSA-N 448.349 5.347 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2ccccc2C)n1 408697636 IVRRBISMNUJBFR-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc2nc(Sc3ccc(/C=C4/SC(=O)N(c5ccccc5)C4=O)o3)[nH]c2c1 408967719 XEIPBLDPHCDVSP-LDADJPATSA-N 433.514 5.856 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(OCc3cccc4ccccc34)cc2)C1=O 409100833 WVYXBEIQEKPXGY-CAUNFOBBSA-N 447.512 5.017 0 40 IKAB Cc1ccc(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)cc1 409121607 YXSOSSNEXZZDGH-UHFFFAOYSA-N 436.602 5.918 0 40 IKAB Cc1ccccc1NCc1ccc(OCc2cccc3ccccc23)c(Br)c1 409127107 CTRJSMVHGXNMPY-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)cc1C)S(=O)(=O)c1ccccc1 409139410 AQZXMPMYRUBFTE-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB c1ccc(-c2cc(-c3nc4ccccc4s3)c(-c3ccccc3)n2-c2ccccc2)cc1 409188591 FEICCCBANWSYRA-UHFFFAOYSA-N 428.560 8.088 0 40 IKAB Cc1ncncc1C(=O)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643568947 GYGONVCQYMSQMH-UHFFFAOYSA-N 442.607 5.788 0 40 IKAB CC(=O)O[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 1889196997 AHQGBTJUQBJWCN-ATRVUWAVSA-N 436.592 6.107 0 40 IKAB Cc1c(C(=O)N[C@H](C)c2ccc3c(c2)OCO3)c(-c2ccccc2)nn1-c1ccccc1 655836 KDIZYZOSYHGVLB-QGZVFWFLSA-N 425.488 5.067 0 40 IKAB Nc1c(C(=O)Nc2cc(Cl)ccc2Cl)sc2nc(-c3ccc(F)cc3)ccc12 661603 HXBCSCFKVPRZQG-UHFFFAOYSA-N 432.307 6.244 0 40 IKAB O=C(Nc1cccnc1Cl)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 674972 BUTQXSFMIXYRCH-GXSJLCMTSA-N 446.216 5.091 0 40 IKAB COc1ccc2c(c1)N(C(=O)Cc1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 822392 VRFHORQNOOLRDS-UHFFFAOYSA-N 431.579 6.178 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccncc2)cc1 897287 MKMKFWHDBUZOLN-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CCC(C(=O)c2ccccc2)CC1 1043638 WGCAZWGEIGGLKS-UHFFFAOYSA-N 443.330 5.692 0 40 IKAB in-vitro Cc1ccc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2ccccc2F)cc1 1339029 JXPMLTKNCKABHB-VWLOTQADSA-N 445.538 5.366 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(C)c1 1840251 IXTRZIDPJCVADK-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB O=C(N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054609 LPGJHLGEVWLYMU-CQSZACIVSA-N 446.976 6.185 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@@H](Nc2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1 2054650 VPQLRIJOOHBXQR-QGZVFWFLSA-N 434.194 6.176 0 40 IKAB COc1ccccc1[C@H](CCN(Cc1ccccc1)C(C)=O)c1ccc(OC(C)C)cc1 2106794 RDVIABFILVLRPD-AREMUKBSSA-N 431.576 6.053 0 40 IKAB biogenic O=C(CCCCC(=O)Nc1cc(Cl)cc(Cl)c1)Nc1cc(Cl)cc(Cl)c1 2133463 AYEUWOVBBCTWPQ-UHFFFAOYSA-N 434.150 6.438 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2c[nH]c3ccccc23)N1c1cccc(C)c1 2137774 WSCQYIQYUZIYBO-RUZDIDTESA-N 428.923 6.058 0 40 IKAB O=C(Oc1c(Br)cc(Br)c2cccnc12)c1cccc(Cl)c1 2176707 BOBBVNCQDXQGTA-UHFFFAOYSA-N 441.506 5.632 0 40 IKAB CCCCCOc1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 2290284 MASQZZJGIZOCQF-UHFFFAOYSA-N 447.418 7.212 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccccc1Br 2315891 LLNIORKLYXKIPF-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB CCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(Cl)cc1 2371303 MWFOKAYITOYHQX-AYWVHJORSA-N 442.927 6.547 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1cccc(OC)c1 2690630 QWWCQWSKSUGQAC-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB O=C(CSc1nc2c(c(=O)n1-c1ccc(Cl)cc1)SCC2)c1ccc(Cl)cc1 2720025 FJBKFLNJFBIACJ-UHFFFAOYSA-N 449.384 5.163 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)CCN3C(=O)c4ccccc4C3=O)cc2)cc1C 3282348 CDPRUXIERCMOJM-UHFFFAOYSA-N 430.529 5.079 0 40 IKAB CCOC(=O)c1c(Nc2ccc(OCC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 3953673 JSEKOJVYOFLPNZ-UHFFFAOYSA-N 439.515 6.130 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=S)Nc3ccccc3)sc3c2CC[C@@H](C)C3)cc1 4062396 CWJOTOIEPVJOEW-MRXNPFEDSA-N 435.618 6.243 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3cc4ccccc4s3)c(=O)n1C2 5410504 UKEMLLZAGQHEBZ-QFBILLFUSA-N 444.531 5.129 0 40 IKAB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(F)cc3)cs2)cc1 6075338 OQUSGHBNBAFAMN-OAQYLSRUSA-N 438.568 6.073 0 40 IKAB CCCCn1c(SCc2ccc(Cl)cc2Cl)nc2cc(S(N)(=O)=O)ccc21 6130567 CJMOCHSUVJXAKY-UHFFFAOYSA-N 444.409 5.083 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]12 6232820 RGNXWIPNUYECGQ-ZKKFKWFVSA-N 434.322 5.564 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1 6301272 VRKOEHRZWNMVFP-UHFFFAOYSA-N 437.584 5.816 0 40 IKAB O=C([C@H]1CCCN(Cc2cccc3ccccc23)C1)N1CCC(Cc2ccccc2)CC1 6529397 QZJSKHDTZVSGTB-MHZLTWQESA-N 426.604 5.533 0 40 IKAB COc1ccc([C@H](NC(=O)c2c(C)nn(Cc3ccccc3)c2C)c2ccccc2)cc1 6880811 IQTMFCORBKTZJE-AREMUKBSSA-N 425.532 5.076 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@@](O)(C(F)(F)F)C2)cc1 8711482 XWCJYGHEAKKFSV-IBGZPJMESA-N 437.874 5.637 0 40 IKAB CC(=O)CCSc1nnc(-c2ccccc2Cl)n1-c1cccc(C(F)(F)F)c1 8747065 TZYPIEOXTQTUOI-UHFFFAOYSA-N 425.863 5.678 0 40 IKAB CCOC(=O)[C@@H]1CSC2(CCC(c3ccccc3)CC2)N1C(=O)c1ccc(Cl)cc1 8782042 ATNOKZOSKNIADC-VZQLXNMESA-N 443.996 5.515 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1CCC[C@H](c2nnc3ccc(C(F)(F)F)cn23)C1 8825117 JQKGXMSDPSEMFX-LBPRGKRZSA-N 443.256 5.075 0 40 IKAB O=C(O[C@@H](CSc1nccn1-c1ccccc1)C(F)(F)F)c1cccc(Cl)c1 8857264 DCWQDMHWRYXWRY-INIZCTEOSA-N 426.847 5.406 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063434 LHDSAZWLDOYNST-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)c1 9161395 NDSZDQRMCRSCKX-HXUWFJFHSA-N 437.282 5.553 0 40 IKAB O=C(C[C@@H](Nc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 9233532 GVXZNXJAOXVCSF-HXUWFJFHSA-N 449.175 7.182 0 40 IKAB CC(C)c1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)NC1CCCCCCC1 9250422 OAERNZKSUBRGDK-UHFFFAOYSA-N 440.609 5.215 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cc(Br)cs2)N1c1ccc2c(c1)OCO2 9368428 FBZKDTFZMADEIW-GOSISDBHSA-N 429.295 5.010 0 40 IKAB CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 9409108 IWMYWKLDQZIAKA-VWLOTQADSA-N 447.579 5.440 0 40 IKAB O=C1c2ccccc2[C@@H](Nc2ccc(OCc3ccccc3)cc2)N1CCc1ccccc1 9435197 MZDNPENZHRYPOZ-NDEPHWFRSA-N 434.539 6.075 0 40 IKAB CCOc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc12 9543137 CKLYDCILNCYNQK-UHFFFAOYSA-N 442.393 5.026 0 40 IKAB COc1ccc(-c2csc(NC(=O)Cc3csc(-c4ccccn4)n3)n2)cc1Cl 9942889 KHTWRYRMBLPQGA-UHFFFAOYSA-N 442.953 5.172 0 40 IKAB O=C(Nc1ccc2oc(-c3c(F)c(F)c(F)c(F)c3F)nc2c1)c1ccc2c(c1)OCO2 10040552 HXLRWGZUOYSSMD-UHFFFAOYSA-N 448.303 5.171 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)cc1C 10059181 DHWLJOFDHJHIQF-AREMUKBSSA-N 433.935 5.273 0 40 IKAB CC(=O)N[C@H](CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1)c1ccc(Cl)cc1 10080384 FZXOIGYRBRGNLW-DENIHFKCSA-N 430.932 5.014 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCOCC1 11328499 WWBBTNYTCZEYDP-UHFFFAOYSA-N 446.334 5.056 0 40 IKAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4cccc(Cl)c4)CC3)C1)c1cccn1-2 12086189 HPMNYLUYUDYCMP-AREMUKBSSA-N 449.982 5.215 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)cc1)N1N=C(c3cccc(OC)c3)C[C@H]21 12195717 LLKDIIOWFJDXJK-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB Cc1ccc(-c2nnc(CSc3nc(C4CC4)nc4sc5c(c34)CC[C@@H](C)C5)o2)cc1 12639408 VQGFYLKULVVNEV-CQSZACIVSA-N 448.617 6.344 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H]1CCCc2ccccc21 12779511 ZIEWGCRESHUQJP-JTSKRJEESA-N 447.604 5.186 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12915008 XAOIWYVMVNRJGB-LLVKDONJSA-N 426.822 5.113 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2cccc(Cl)c2)n1 13000612 SUEQXHPAJPYJSS-ZDUSSCGKSA-N 426.929 5.399 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3cccc(Cl)c3Cl)c(=N)oc2cc1O 13382165 LFBMBGIIYSWYFA-UHFFFAOYSA-N 433.335 6.300 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)COc1ccc(C(C)C)cc1Br 13683920 ZEIWARJGHNRKFP-UHFFFAOYSA-N 447.373 5.120 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(Cl)cc2C(F)(F)F)c(Br)c1 13940330 PRPGOAGEXHFWTH-UHFFFAOYSA-N 436.655 5.756 0 40 IKAB COc1cc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc(C)cc3)c2)cc(OC)c1OC 14084000 PQRLERMHEOECGD-UHFFFAOYSA-N 425.528 6.725 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c(Cl)c1 14271366 AHYUTDRKPGJLOI-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB CN(CCCNC(=O)Nc1cccc2ccccc12)C(=O)Nc1cccc2ccccc12 16188515 LHUOAMUFIIYLMH-UHFFFAOYSA-N 426.520 5.669 0 40 IKAB Cc1sc2nc(SCc3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)c(=O)c2c1C 16265893 LXEAHBRIHFTMJG-UHFFFAOYSA-N 447.412 6.663 0 40 IKAB O=C(Nc1cccc(Cl)c1)OCC[C@@H]1CCCCN1C(=O)Nc1cccc(Cl)c1 16398959 PUKOGOWPWDAUQN-IBGZPJMESA-N 436.339 6.019 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 16639349 PBNXGYPDHMMLIL-UHFFFAOYSA-N 433.986 5.564 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2nc3ccccc3o2)cc1)c1cc2ccccc2o1 17095385 LIVIACNYCICZHE-UHFFFAOYSA-N 427.485 5.046 0 40 IKAB Cc1ccc(-c2nn(-c3cc(Cl)ccc3Cl)c(-c3ccc(C)cc3)c2Cl)cc1 17095625 HVTVRYHUURIOGS-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@H]3C)cc2)cc1Cl 17097771 YRMDGTSNFPWVIR-OAHLLOKOSA-N 431.989 5.244 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(OC3CCCC3)c2)CC1 19082051 LNOTYRPWWXFJKM-SANMLTNESA-N 449.639 5.519 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2c(C)c(-c3ccc(C)cc3)nc3ccc(Cl)cc23)c1 19639465 UQYBHFIAULHLSY-UHFFFAOYSA-N 443.934 6.383 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 20041561 KNWHHVZBHAEPMG-INIZCTEOSA-N 425.575 5.974 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(C[C@H](C)c1ccccc1)C3 20609933 NWABIRLEKXCORB-IBGZPJMESA-N 425.528 5.648 0 40 IKAB biogenic O=C(Nc1ccc(Cl)c(Cl)c1)N(C1=NCCS1)c1ccc(Br)cc1 22079378 KBFZJFOADLIIEK-UHFFFAOYSA-N 445.169 5.897 0 40 IKAB C[C@@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cc2ccccc2o1 22315828 NUAHEVNSRFGSDG-GOSISDBHSA-N 425.488 5.239 0 40 IKAB Cc1c(C(=O)N2CCN(C(=O)c3cccc(Cl)c3)CC2)oc2c1ccc1ccccc12 22969397 LYKPALCABAAETF-UHFFFAOYSA-N 432.907 5.146 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccccc2F)c1C 26770891 OTLJSXJXZACBRV-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H](c3ccc(C(C)C)cc3)N3CCOCC3)oc2c1 28291569 AQPZBUXHSGIMKQ-QHCPKHFHSA-N 434.580 5.285 0 40 IKAB Cc1ccccc1C(=O)NC1CCN(C(=O)c2ccccc2Nc2cccc(C)c2C)CC1 32305968 FSRITEOZWLZJNX-UHFFFAOYSA-N 441.575 5.390 0 40 IKAB COc1ccc(CCN2CCC[C@@H]2CO[C@@H](c2ccccc2)c2ccc(Cl)cc2)cc1 33965346 NYJCOVAWVHXMSJ-VPUSJEBWSA-N 435.995 6.162 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)c12 40024975 QIJFGSZIMJBQSN-FQEVSTJZSA-N 440.528 5.785 0 40 IKAB COc1ccc(C)cc1NC(=O)c1nnc2c(-c3cccc(Cl)c3)c(C(C)C)nn2c1C 40385096 SOAFCOQBYOVTOE-UHFFFAOYSA-N 449.942 5.446 0 40 IKAB Fc1ccccc1-c1nnc(Sc2nccc(C(F)(F)F)n2)n1Cc1ccccc1 46577107 XDWOYMIGGIPYOJ-UHFFFAOYSA-N 431.418 5.093 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(Sc2nc(-c3cccnc3)nc3ccccc23)o1 48291125 FLWSRCNHUWFLNK-AWEZNQCLSA-N 445.479 5.505 0 40 IKAB CCc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)c4cccc(F)c4)cc3)cn2)cc1 49421914 LOOJQIRFEDQQMP-UHFFFAOYSA-N 442.494 5.138 0 40 IKAB CC(=O)c1ccc(N2CCN([C@H](C(=O)Nc3cc(C)ccc3C)c3ccccc3)CC2)cc1 58219013 PEZAFOPWWJHLQD-MHZLTWQESA-N 441.575 5.008 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCCC1 72215588 KXFUMLGRZSUDOC-DEOSSOPVSA-N 435.612 6.493 0 40 IKAB Cc1ccc(C(=O)[C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN23)cc1 72332628 PLPOQLSFCNESQK-URXFXBBRSA-N 447.332 5.510 0 40 IKAB Cc1cc(C[C@H]2COC[C@@H]2N(Cc2ccc(F)cc2)Cc2ccccc2C(F)(F)F)on1 72395084 NRQFQQFFSZSCQV-CVDCTZTESA-N 448.460 5.401 0 40 IKAB COCc1c(C(C)C)nc(C(C)C)c(/C=C\[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 90555960 MCBZSKZRUIWKPM-RAKWIPDMSA-N 441.543 5.361 0 40 IKAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@@H]2NC(=S)Nc1ccccc1 100364869 QGKBSHAUAIEERO-DBYOASNMSA-N 438.666 5.153 0 40 IKAB O=C(C1CC1)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccs1 101373341 BRHVXVCDVNHEPY-BCHFMIIMSA-N 440.568 6.708 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@H]1C[C@@H]2CC[C@@H]1C2 101531109 SPFMYGMPPCZEPK-BQRJKJETSA-N 432.490 5.098 0 40 IKAB CCCOc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 102873813 UVHLZDGLNSPZSM-AREMUKBSSA-N 432.564 6.678 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)/C(=C/Nc3ccccc3CC)c3ccccc3C2=O)cc1 103003970 IKOSZOGVDZVPAX-HAVVHWLPSA-N 440.499 5.066 0 40 IKAB CNS[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118928394 HTHNWQMPMKADST-PXBBAZSNSA-N 431.774 8.264 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)c1 214608378 WNNBAKDSWDNPKJ-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CCOc1ccc(CNC(=O)CSCc2ccc(Cl)cc2Cl)cc1OCC 222722582 BXUJFPRBWNQFGJ-UHFFFAOYSA-N 428.381 5.340 0 40 IKAB CC(C)Sc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)s1 223064577 UNJWYEOEXMSWDK-UHFFFAOYSA-N 445.441 5.196 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C 223367649 NLTIXJDTXBSUFV-TZIWHRDSSA-N 443.031 5.870 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223851540 QTMRFGXKYOVZSI-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 224276452 LNQWSKUYPMKAKD-HHHXNRCGSA-N 448.651 5.917 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C(C)C 224461625 OQWDJTXTNTULSI-FGZHOGPDSA-N 425.001 5.911 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(C)c2)cc1COc1ccccc1C(C)(C)C 224509118 ZQYXDHODAAOSSH-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224846513 PRIAKBXLDGZWNX-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 225384271 XUHLBBHMAOUTGW-RUZDIDTESA-N 438.612 5.085 0 40 IKAB S=C(NCCCSCc1ccc(Cl)cc1)Nc1ccc(OC2CCCC2)cc1 225610596 ZMIKLFCWOKOJLU-UHFFFAOYSA-N 435.058 6.271 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cc1 257313132 URDVTVOEVVVMIN-OAQYLSRUSA-N 431.511 5.174 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3F)c(Cl)c2)cc1Cl 408555656 HTVFHCNKPUWFKI-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2OC)cc(Cl)c1OCc1ccccc1 408578323 XMBNFSLUQGUSCX-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)cc1 408697210 GCALTRUZLQCBBR-UHFFFAOYSA-N 447.336 5.512 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 409010110 DJGJVWYWKOYTCY-AWOYWQDDSA-N 442.375 5.470 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1Cl 409097207 HULLMZCCZJYECP-UHFFFAOYSA-N 449.407 5.947 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1C 409102523 AUWOKOANRQKJMZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc(CCCc2nnc(SCc3ccc(Br)cc3)n2C)cc1C 409327937 NSXZDYMRSBPBFR-UHFFFAOYSA-N 446.414 5.362 0 40 IKAB COc1ccc(-c2ccc(C(=O)O)c(CCC3CCCCC3)n2)c(OCc2ccccc2)c1 585265873 TWCUTXBYLLSSCT-UHFFFAOYSA-N 445.559 6.547 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccccc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 627555 QKLUKMGTPWHKOV-KBPBESRZSA-N 435.307 5.075 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1cccc2ccccc12 867616 LHHKLYSJJMKOHL-UHFFFAOYSA-N 426.501 5.411 0 40 IKAB COc1ccc(C(=O)N(CCc2ccccc2)c2nc(-c3ccc(C)cc3)cs2)cc1 932679 VPVLTUZIZDBBJR-UHFFFAOYSA-N 428.557 6.017 0 40 IKAB O=C(Oc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)c1ccccc1Cl 1775125 FMAMQMBCEJEPKU-UHFFFAOYSA-N 427.239 6.111 0 40 IKAB CCOC(=O)c1cnc2c(Cl)cc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1 1778645 RZLAFJGGIGEOCJ-UHFFFAOYSA-N 429.225 6.481 0 40 IKAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(Cl)ccc1Cl)c1nc3ccccc3nc12 1805558 JYBVZJLFWMPHMK-PKTZIBPZSA-N 426.347 5.904 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@](C)(CC)OC3 1822622 NKZSZPFVABVZCM-DEOSSOPVSA-N 442.650 6.361 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc1C 1839033 KFQSYYSCHGLDBI-UHFFFAOYSA-N 435.515 5.439 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)oc2c1 2056903 PICHFXBGCIXAAN-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB COc1ccccc1CNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccc(C(C)C)cc2)n1 2112654 JBCFEHWFJJWYCM-UHFFFAOYSA-N 449.554 6.445 0 40 IKAB biogenic CCO[P@@](=O)(NC(C)C)SCc1nc(COc2cc(C)c(Cl)c(C)c2)no1 2150290 BBOLREWYGLFGJI-SANMLTNESA-N 433.898 5.295 0 40 IKAB O=C(COC(=O)c1cc(Cl)nc2ccccc12)c1ccc(OCc2ccccc2)cc1 2303703 IYLSLSHIKVVTEM-UHFFFAOYSA-N 431.875 5.507 0 40 IKAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1 2704204 MLPMLWQWQDEFDF-OAQYLSRUSA-N 446.528 5.568 0 40 IKAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@H](c2ccccc2)C3)c1 2750873 WRFCQYMMSUEKKF-SFHVURJKSA-N 449.572 5.848 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(F)cc1)Nc1cc(Cl)ccc1Oc1ccccc1 3341952 ZOPDPPDILCGTQC-MDWZMJQESA-N 425.843 5.467 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12 3427501 GYAFLSGODYNCGT-INIZCTEOSA-N 429.520 5.506 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655515 DXMQPIMABWKNTQ-UHFFFAOYSA-N 445.490 6.118 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCc3c(F)cccc3Cl)c2c1 6844284 SDGXGCGORCWFNZ-UHFFFAOYSA-N 426.919 7.083 0 40 IKAB COc1ccc(OC)c([C@@H]2c3c(-c4ccccc4)n[nH]c3C(=O)N2c2ccc(Cl)cc2)c1 8694895 MAXBKRXEBSSSCY-XMMPIXPASA-N 445.906 5.497 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 8708492 QWCRBEMEOAHZBV-INIZCTEOSA-N 431.517 5.532 0 40 IKAB CCCCCOc1ccc(CN2C(=O)C(=O)c3cc(Br)cc(C)c32)cc1OC 8834591 CDMMYVDYRNCIOY-UHFFFAOYSA-N 446.341 5.065 0 40 IKAB COCCn1c(S[C@H](C)C(=O)Nc2ccc3ccccc3c2)nnc1-c1cccc(C)c1 8943120 PWSRPEIIZFMVHV-GOSISDBHSA-N 446.576 5.172 0 40 IKAB CSc1nc(NCc2ccncc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 9510719 ZVWAPMSONGCTHR-UHFFFAOYSA-N 435.622 5.656 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3ccc(OCc4c(C)noc4C)cc3)s2)cs1 9592881 JHFUQOZJRZIXAU-UHFFFAOYSA-N 439.562 5.294 0 40 IKAB C[C@@H](Oc1ccccc1F)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 9882540 CWJZLMPRKVTQIP-MRXNPFEDSA-N 449.507 5.893 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccc2c(c1)OCCO2 9960332 VPNVPGCBTSHHAL-UHFFFAOYSA-N 432.476 5.182 0 40 IKAB O=C(Cc1csc(-c2cccs2)n1)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10696025 CFLZBUMAIJIMNE-HXUWFJFHSA-N 443.597 5.844 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(SC(C)C)cc4)n3)oc12 10750867 KCMBSVHGNNQJLA-UHFFFAOYSA-N 438.574 6.708 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@H](c4ccccc4C)[C@@H]2C3(Cl)Cl)cc1 12318509 YFTAIBWAZMMXLG-KMDXXIMOSA-N 425.355 6.617 0 40 IKAB O=S(=O)(Nc1ccccc1Cl)c1ccc2nc(-c3cc(Cl)ccc3O)[nH]c2c1 12642295 UNXKQILHGDAXIF-UHFFFAOYSA-N 434.304 5.043 0 40 IKAB COc1ccc(C)cc1NC(=O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 13063381 NOSYKMWKOYZYRN-UHFFFAOYSA-N 435.911 5.224 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 13685420 PFKZRXQFLSBBLW-HXUWFJFHSA-N 438.527 5.218 0 40 IKAB CSc1nc(N2CCCC[C@H]2C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13786542 IDSDHUYHVAFTBA-OAHLLOKOSA-N 446.645 6.496 0 40 IKAB Cc1c(Cl)cccc1NCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 15303523 YJLBMPHUEHWQBX-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB Cc1cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc2cc1Cl 16284226 YYNAMDWRTWYAJU-UHFFFAOYSA-N 431.742 6.426 0 40 IKAB Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757886 UVQFWEFTNXEJNR-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=O)c2cccc3c(Br)cccc23)c1 17097704 BXCULPISDUBHHJ-UHFFFAOYSA-N 431.717 5.857 0 40 IKAB O=C(COc1ccccc1N1C(=O)[C@@H]2CCCC[C@H]2C1=O)c1ccc(-c2ccccc2)cc1 17987317 WJRUKMBVQKDLLX-DHIUTWEWSA-N 439.511 5.295 0 40 IKAB COc1cccc(OC)c1C(=O)NCC12C[C@H]3C[C@@H](C1)CC(c1ccc(C)c(C)c1)(C3)C2 18118983 KNYXGOBZQAFZSY-LHUUVIGISA-N 433.592 5.589 0 40 IKAB CC(C)CC(=O)N1CCC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19446401 RVEKCETVANACSZ-IBGZPJMESA-N 433.531 5.173 0 40 IKAB CCc1noc(CC)c1C(=O)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19521317 LOQFCJMZSIONGO-INIZCTEOSA-N 449.580 5.272 0 40 IKAB COc1ccc(OC)c(CC(=O)N2CCC(c3cc(-c4ccccc4)cc(C)n3)CC2)c1 19691109 ABZUWERZTGIROX-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB CC(C)CCSc1ncnc2c1sc1nc(N3CCOCC3)c3c(c12)CCCC3 20057750 OHUOERKUWPYOOJ-UHFFFAOYSA-N 428.627 5.093 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1cc(Cl)ccc1Cl 20061617 CJEWUBRZSPICIO-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140032 HEFLHIAPJMCYGL-UHFFFAOYSA-N 440.666 5.866 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(Cl)c2Cl)o1 20140153 ZEKPNVPHFBUCNA-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144932 FBFZXOQPFLTKMO-UHFFFAOYSA-N 439.939 6.158 0 40 IKAB Cc1cccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(Cl)cc3)n2)c1 23126897 UHDJIGADSYQRRY-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2cc(Cl)cc(Cl)c2)cc1 24980286 RVKZYFRPOQYKCY-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB Cc1nc(C)c(-c2nnc(SCC(=O)N(c3ccccc3)C3CCCCC3)o2)s1 25459363 RQUJFTYYBFJCSZ-UHFFFAOYSA-N 428.583 5.268 0 40 IKAB O=S(=O)(c1ccccc1F)N(Cc1coc(-c2cccc(Cl)c2)n1)Cc1ccco1 26777382 QQMJGNJCCIMVRM-UHFFFAOYSA-N 446.887 5.118 0 40 IKAB CC[C@@H](C)n1c(SCc2nnc(C(C)(C)C)o2)nc2sc3c(c2c1=O)CCCCC3 27224424 ZHJQUZRXYFVOOQ-CYBMUJFWSA-N 446.642 5.671 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)c4ccco4)c3)nc2c1 27828013 HPOOFBAJSPWWIC-UHFFFAOYSA-N 439.924 5.991 0 40 IKAB COc1ccc(-c2nsc(NC(=O)c3oc4cc(C)c(Cl)cc4c3C)n2)cc1OC 27992318 ICVPBWURQHQFAW-UHFFFAOYSA-N 443.912 5.491 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc(Nc4ccccc4)cc3)o2)cc1 32904331 XCPJICNDHAKVFD-UHFFFAOYSA-N 432.505 5.220 0 40 IKAB CC1CCN(c2nccnc2Oc2ccc(C(=O)NCc3ccc(Cl)cc3)cc2)CC1 33170782 ICGVEPLUZALSFV-UHFFFAOYSA-N 436.943 5.089 0 40 IKAB O=C1N/C(=N\c2ccc(F)c(Cl)c2)S/C1=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1 35646597 BLFNEYQQCHZYBP-ZDLGFXPLSA-N 443.843 5.539 0 40 IKAB O=C(NCCSC1CCCCC1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38852832 SQXJKYMILUVNNA-UHFFFAOYSA-N 429.457 5.388 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccc(C)cc4)CC3)ccc21 39756143 DPHQBJNOWXVKMX-UHFFFAOYSA-N 425.576 5.974 0 40 IKAB COc1ccc2nc(C(=O)N3CCC(C)CC3)cc(Nc3ccc(OC)c(Cl)c3)c2c1 44168115 FKQPGCQAHYZKCJ-UHFFFAOYSA-N 439.943 5.521 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(C)c1 44843822 GWGJQVKTIOXOOJ-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB CCOc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)cc1 46022246 DRNTXAIIBSAXRR-UHFFFAOYSA-N 427.595 5.380 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(c2nnc(-c3ccccc3)c(-c3ccccc3)n2)CC1 57740541 NSIAPSMVTSEFNV-UHFFFAOYSA-N 441.966 5.494 0 40 IKAB CO[C@H](C)C(=O)N(Cc1ccccc1)c1nc(-c2ccc(Br)cc2)cs1 59740689 FTYYHCYGKMGLQA-CQSZACIVSA-N 431.355 5.141 0 40 IKAB Cc1cccc(Cn2cnc3sc(-c4nc(-c5ccc(Cl)cc5)no4)c(C)c3c2=O)c1 67260325 MDYNCWAUPXCISC-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB CC[C@@H](c1ccccc1)N(CC(=O)OC)C(=O)c1ccc(C2SCCCS2)cc1 89947878 QFSAJGZDNZWQQW-FQEVSTJZSA-N 429.607 5.322 0 40 IKAB C[C@@]1(O)CC(=O)[C@@H](C(=O)c2ccccc2)[C@H](c2ccc(Cl)cc2)[C@@H]1C(=O)c1ccccc1 101584199 ORXBTMMYPIUXLC-ZOJNDGCKSA-N 446.930 5.146 0 40 IKAB Cc1cc(OCC(=O)NCCSCc2ccccc2Cl)cc(C)c1Br 218833800 GHGBFCVLTSCMEN-UHFFFAOYSA-N 442.806 5.148 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1C 219285578 USSCZPZYUMTBKC-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 223067339 LWVLQYQCDJRTCQ-RBUKOAKNSA-N 445.003 5.174 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 223211657 BLFBCAOQAUQZOO-IBGZPJMESA-N 436.577 5.158 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223267613 TZEJXEWMKAWBGY-HSZRJFAPSA-N 438.612 5.219 0 40 IKAB Cc1cccc(CN(C)C(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224101996 IQEKWMWIHCKSPT-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc(Cl)cc2)c(Cl)c1)S(=O)(=O)c1ccccc1 224229419 DWLQTVPBTIVTEY-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C[C@@H]2CCCO2)cc1 224363045 FHZDHJOYPDWZAZ-TUSQITKMSA-N 446.620 5.363 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COCc1ccccc1 224461608 NOCJPQPYVQMDMG-UHFFFAOYSA-N 449.856 6.337 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1ccc(C)c(C)c1 224621106 MHGDVOREGQPJCA-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225103926 QXOKWZISTMFGSX-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225453423 NKGHXPKLOGYVEY-FCHUYYIVSA-N 430.592 5.147 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc(C)c1OCc1ccccc1 225527726 LQUSXURSGPDJIL-UHFFFAOYSA-N 433.979 6.986 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)c2nc(N)sc2c1 226312093 BHBWFDROBJUGEU-UHFFFAOYSA-N 440.750 5.091 0 40 IKAB Cc1ccc2oc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccc(C)nc5)o4)CC3)cc2c1 257327747 XCOCIVLZRACEOW-IYARVYRRSA-N 430.508 5.198 0 40 IKAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 260712532 INHLFIGUBBPSPL-GOSISDBHSA-N 441.620 5.101 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)cc1C(C)C 260945428 VAHQGKNMOUPOEW-CTNGQTDRSA-N 426.576 5.356 0 40 IKAB O=C1CS[C@@H](c2cccc(OCc3ccc(Cl)cc3)c2)N1c1ccc(Cl)cc1 408553749 BOWWNSNGRBXTEI-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408647306 WVQAMCVUBAVCCL-CQSZACIVSA-N 435.749 5.019 0 40 IKAB COc1ccc(S(=O)(=O)NCCSCc2ccc(Cl)cc2Cl)cc1C(C)C 408695423 UMNPZECHWSPLGP-UHFFFAOYSA-N 448.437 5.337 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)cc1C 408695864 UFBSKCYKEDWNBC-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)cc1C 409172280 BQZLZTYTBHBABL-MTJSOVHGSA-N 438.549 5.013 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 409177845 ICAMNOYHUNNSAS-MHZLTWQESA-N 447.494 5.261 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(CC(=O)Nc2cccc3ccccc23)C1=O 409328374 TWAOZXHDSHDREH-HMAPJEAMSA-N 446.528 5.302 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 409411013 SHGGAFIYMVNQNQ-UHFFFAOYSA-N 436.577 5.481 0 40 IKAB Cc1ccc(CNC(=O)N2CCC[C@@]3(CCN(Cc4ccc(Cl)c(Cl)c4)C3)C2)cc1 1083264533 YFDASBFQKMHSSJ-DEOSSOPVSA-N 446.422 5.500 0 40 IKAB CC(C)(C)c1nc(-c2cccc(Cl)c2)c(CNC(=O)Nc2ccc(CO)c(F)c2)s1 1857523289 HKMPJRGWSUCANB-UHFFFAOYSA-N 447.963 5.714 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c1 1346149 SKSZWZQUELJXGQ-UHFFFAOYSA-N 443.528 5.198 0 40 IKAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1C 1378342 YQSHFJQXMAIKNT-LJQANCHMSA-N 439.943 5.011 0 40 IKAB O=C(O)c1cc(-c2ccccc2)nn1-c1nc(-c2ccc(Br)cc2)cs1 1414057 OMOVSEZZHGIJJJ-UHFFFAOYSA-N 426.295 5.124 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=S)NC(=O)CC(C)C)c3)nc2c1 1860053 CMFWDOTVJBCNJF-AWEZNQCLSA-N 444.000 6.521 0 40 IKAB COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCCC2 2081354 BRIZYRAZVJUMHI-UHFFFAOYSA-N 433.529 5.680 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@H](CC)C2 2082287 CNZJIEDZVLOXBF-AWEZNQCLSA-N 435.973 5.419 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 2089093 BZSATAZFKVUGHZ-UHFFFAOYSA-N 434.841 6.179 0 40 IKAB O=C(NCCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2ccccc2Cl)n1 2159933 JKFYCOWETFPOMT-UHFFFAOYSA-N 439.946 6.399 0 40 IKAB biogenic Cc1ccc([C@H]2C3=C(N=C4NC=NN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 2256248 VRKMJBZOEIIDHI-ZEQRLZLVSA-N 426.907 5.453 0 40 IKAB CCOC(=O)C(Sc1ccccc1)(Sc1ccccc1)P(=O)(OCC)OCC 2372457 DSMMVWVCJQYBHS-UHFFFAOYSA-N 440.523 6.054 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)NCCc1ccc(Cl)cc1 2769106 MGXIZCOBPZIWQG-UHFFFAOYSA-N 435.354 6.490 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc(C)cc1 2984287 MNPQZCQKORIHFQ-HAVVHWLPSA-N 443.499 5.196 0 40 IKAB CCOC(=O)c1c(C)oc2ccc(OC(=O)COc3cccc(Oc4ccccc4)c3)cc12 3170020 QAOCZQMWJXOYAS-UHFFFAOYSA-N 446.455 5.695 0 40 IKAB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3ccccc3C)c(Br)c12 3268627 IMBVUZAAQDHRPC-UHFFFAOYSA-N 445.265 5.021 0 40 IKAB O=C(COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1)Nc1cccc(Cl)c1 3285968 VHBOHXCJUAAUTB-UHFFFAOYSA-N 449.869 5.127 0 40 IKAB Cc1c(Cl)cnc(NC(=O)COC(=O)Cc2coc3ccc4ccccc4c23)c1Cl 3297495 BMMMXBPKEOCQFJ-UHFFFAOYSA-N 443.286 5.321 0 40 IKAB aggregator O=C(COc1cccc2cccnc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3344949 IXJGJRNNDZMYLI-UHFFFAOYSA-N 429.442 5.261 0 40 IKAB CCOc1ccc2nc(S[C@H](C)C(=O)Nc3cc(Cl)ccc3Cl)sc2c1 3446799 FTXNPDRRSXREIN-SNVBAGLBSA-N 427.378 6.121 0 40 IKAB COc1cc2c(OC)cc1CSCc1sc(C)c(c1Br)CSC2 5837484 SZRWPRLKDAHBTO-UHFFFAOYSA-N 431.442 6.016 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCCC1 6135489 BBNXHLNKDQZRHB-UHFFFAOYSA-N 433.621 5.931 0 40 IKAB Clc1ccc([C@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)cc1 8386294 YWTOWQBIFSWEHN-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB CCN(CC)CCC[C@@H](CNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)cc1 8603055 FTCNBUOQORTZBK-IBGZPJMESA-N 430.423 6.859 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)N(Cc4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8788784 OMRMWCXKBAFXLH-IADCTJSHSA-N 449.554 5.555 0 40 IKAB biogenic CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc3ccccc23)Nc2nc3ccccc3n21 8815703 UKXJKKVOXAYGKP-AREMUKBSSA-N 430.511 6.226 0 40 IKAB Clc1cc(Cl)c(-n2ccnc2SCc2ccccc2)cc1OCc1ccccc1 8857280 WQXAHPKAMYUNJQ-UHFFFAOYSA-N 441.383 7.050 0 40 IKAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccccc3F)ccc2c1=O 8990192 FLWQPJPSXIRASG-UHFFFAOYSA-N 449.434 5.059 0 40 IKAB CCCCN(CC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 9183420 QWHXOLGXBSLBRV-UHFFFAOYSA-N 446.620 6.384 0 40 IKAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)CSc1ccc(Cl)c(C(F)(F)F)c1 9222429 HNEHOJMJRVNHPE-LLVKDONJSA-N 428.863 5.215 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(CC)cccc1CC 9250397 QZCLMAQLLQZZRL-UHFFFAOYSA-N 448.588 5.188 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc(OC)c1OC 9281021 IETLLEJSUPDFJV-HFZDXXHNSA-N 430.504 5.263 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc4c(c3)OC3(CCCC3)O4)c2Cl)cc1 9461688 DIJLBLUYTNBUSR-UHFFFAOYSA-N 437.927 5.495 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc2ccccc2c1 9534878 ORGQKENKULQJKV-QFIPXVFZSA-N 447.535 5.391 0 40 IKAB Cc1cccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Br)cc4)ccc3o2)c1 9660229 UXXIOCZXYPTCEG-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB biogenic O=C(Nc1ccccc1)C1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 9712169 NHTKGJMGJWVUHK-UHFFFAOYSA-N 437.543 5.186 0 40 IKAB O=C(CNc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1)Nc1ccc(Cl)cc1 9892735 MJHFMNNNLWHJGM-UHFFFAOYSA-N 445.914 5.063 0 40 IKAB CCCC(CCC)C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1 12442310 NWMCEIAWXQSHLD-UHFFFAOYSA-N 426.542 5.188 0 40 IKAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 12857814 WHJHQYUMYZFSKB-UHFFFAOYSA-N 448.375 5.390 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)NCCc2ccc(C(F)(F)F)cc2)cs1 12914867 RCBWFHKGIBPQIT-UHFFFAOYSA-N 434.483 5.129 0 40 IKAB COc1cc(Cl)c(NC(=O)Cc2csc(-c3ccc(C(C)C)cc3)n2)cc1OC 13005514 XNHLMJFNICZRLL-UHFFFAOYSA-N 430.957 5.785 0 40 IKAB COc1ccc(CCN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1 13096359 TWJGXUQCSVZPPT-QFIPXVFZSA-N 428.454 5.226 0 40 IKAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 13119976 LSLSVKPBFHPNAP-BKMJKUGQSA-N 428.532 5.435 0 40 IKAB Cc1cc(I)ccc1NC(=O)CSCc1c(F)cccc1Cl 13896744 VWGWSDOMEHNSAQ-UHFFFAOYSA-N 449.716 5.264 0 40 IKAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)c(F)c1 14072423 LKHSTSHWRQRYRX-KRWDZBQOSA-N 432.470 6.097 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 14270992 LZDYIBMTUSEUDX-CYBMUJFWSA-N 447.387 6.894 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc(Cl)c1O 15946256 PGDJIJHLTGKWCX-ZUOKHONESA-N 449.016 6.476 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 17094686 QAKGANQXLINKGV-UHFFFAOYSA-N 425.966 5.847 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)c1 17097777 RCZBQZSRJUTPKW-UHFFFAOYSA-N 431.989 5.102 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1cccc(C)c1 17098544 WFFJABYMIANLKZ-UHFFFAOYSA-N 433.558 5.407 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(Cl)c2Cl)CC1 19082058 PEARAEPDLIUVNL-OAQYLSRUSA-N 434.411 5.504 0 40 IKAB CC(C)C(=O)N1CCCC[C@@H]1c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 19085608 RZYDMPDIQGBXMA-ZMSDIMECSA-N 426.508 5.315 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20045951 OWENXIQHJFTLST-HXUWFJFHSA-N 430.548 5.189 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20451471 UABJEQYNOAVCQS-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)N(Cc1ccccc1)Cc1ccccc1 20460030 AGMCCALWUOWKPF-UHFFFAOYSA-N 430.400 6.456 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccccc1 20482331 ZQMOHKJERCUQCF-ZEQKJWHPSA-N 430.573 5.342 0 40 IKAB CCCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22111636 VONLXNHANIKLMV-UHFFFAOYSA-N 442.350 5.734 0 40 IKAB CSc1ncc(Cl)c(C(=O)Nc2ncc(Cc3cccc(C)c3Cl)s2)n1 26040152 XTYUZMVTZSTVOG-UHFFFAOYSA-N 425.366 5.113 0 40 IKAB O=C(Nc1ccccc1Nc1nc(-c2ccccc2)cn1-c1ccccc1)c1ccccc1 27753500 YXMLVAGYYJHZDY-UHFFFAOYSA-N 430.511 6.535 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1 49005416 OZWCCNLORZFMJJ-CQSZACIVSA-N 439.357 5.316 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N[C@@H](Cc3ccccc3)c3nc4ccccc4[nH]3)o2)cc1 49590318 DEQXBSZPIMFRNR-DEOSSOPVSA-N 449.510 5.739 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3C)o2)c1 59179526 USSLKFACMLTHGV-UHFFFAOYSA-N 445.972 5.773 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(Cl)cc3F)oc12 67295918 DMWUUJOYKIIYNY-CLCOLTQESA-N 429.860 5.175 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2nc3ccccc3n2C(C)C)C1 72352489 KIYUKUXXJUPXHF-QGZVFWFLSA-N 432.593 5.181 0 40 IKAB O=C(O)C[C@H](C/C=C\c1ccccc1)NC(=O)OCC1c2ccccc2-c2ccccc21 90684953 MLWHGLZHUJARIA-WUQYLLKWSA-N 427.500 5.472 0 40 IKAB COc1ccc(C(=O)c2coc3ccc(OCc4ccc(Br)cc4)cc23)cc1 96184102 RPACWMZKEVJHMQ-UHFFFAOYSA-N 437.289 6.014 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 100738891 RUNXSXRJMMZABT-AWRGLXIESA-N 442.607 5.856 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H]1C[C@@H]2CC[C@@H]1C2 102190358 MHPVRNIEPWMZQJ-MCEIDBOGSA-N 444.604 5.239 0 40 IKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1cccc(Cl)c1 107889786 KULMFJRGSQLYNP-UHFFFAOYSA-N 435.914 6.870 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1ccc(OS(O)(O)c2ccc(Cl)cc2)cc1 112028612 OQJOOHYZRGKGPT-UHFFFAOYSA-N 445.345 5.930 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1C 139126947 XPCAZXHEPHKYHE-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219774451 IEDRNJZWFQCTHW-QFIPXVFZSA-N 435.951 6.260 0 40 IKAB Cc1ccccc1CN(C(=O)CCCOc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222698219 UKZDNSXCUKVGAB-LJQANCHMSA-N 445.003 5.139 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Br)cc1 222841552 KBATUKIETVIYPJ-UXHICEINSA-N 441.398 5.016 0 40 IKAB Cc1cc(O[C@H](C)C(=O)NCCSCc2ccc(Cl)cc2Cl)ccc1Cl 222841929 YUGQRGLAZQSZFJ-CYBMUJFWSA-N 432.800 5.772 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc2c(c1)CCCC2 223103797 BRTDOMGMCKWXFB-RUZDIDTESA-N 425.016 5.698 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 223375521 OBZUCGNJTAIDBH-DQEYMECFSA-N 442.588 5.314 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1cccnc1 223453567 UJMKCUDFOVPCMN-GOTSBHOMSA-N 445.979 5.093 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)NC(C)(C)CC(C)(C)C)c2cc(C)ccc2C)cc1 223550314 BRKRCGLFZORBOL-UHFFFAOYSA-N 444.641 5.138 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3cccnc3)c2C)c1 224227831 IWTGMFFZQPTXLW-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 224392991 QFYQPFUHESOCTM-ZEQRLZLVSA-N 446.551 5.457 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(CC)S(=O)(=O)c3ccc(C)cc3)cc2)cc1 224454954 JPXMKDGQZVNIHC-UHFFFAOYSA-N 436.577 5.021 0 40 IKAB Fc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224472449 ASULUEKRAMPCMQ-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)C1CCCCC1 224556408 MPGIJRPRMSNJSF-UHFFFAOYSA-N 427.353 5.313 0 40 IKAB Cn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224644167 PJPIUCMIUZWAMK-ZEQRLZLVSA-N 426.545 5.390 0 40 IKAB CC[C@H](NC(=O)COc1ccc(Cl)cc1Br)c1ccc(OC)c(C)c1 225514137 IQXKAJKBDTWYAM-INIZCTEOSA-N 426.738 5.066 0 40 IKAB Cc1cccc(CN2CCC(Cc3cccc(-c4ccccc4C)c3)(C(=O)N(C)C)CC2)n1 257257808 KREJBYLNDPSDQI-UHFFFAOYSA-N 441.619 5.279 0 40 IKAB S=C(NCCc1ccccc1)c1ccc(OCc2ccc(Br)cc2)cc1 408578863 ZZCRCINQMGIHGU-UHFFFAOYSA-N 426.379 5.536 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408610572 QGJBWFYJUPARNY-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N([C@H](C)c4ccccc4)C3)cc2)c1C 408637539 AGGAKZCSKDCRMP-IRLDBZIGSA-N 428.532 5.644 0 40 IKAB CC[C@H](Oc1ccccc1OC)C(=O)NCCSCc1c(Cl)cccc1Cl 408677140 AMDAGFQEQDJUKK-KRWDZBQOSA-N 428.381 5.209 0 40 IKAB CCCCOc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)c2ccccc12 408992088 RZMHJZWFESAFQL-UHFFFAOYSA-N 432.589 7.055 0 40 IKAB COc1cc(/C=C2\N=C(c3cc(Cl)ccc3OC)OC2=O)ccc1OCc1ccccc1 409005363 VENKECQSRUUHFQ-NDENLUEZSA-N 449.890 5.281 0 40 IKAB COc1cc(/C=C2\Sc3ccccc3NC2=O)ccc1OCc1ccc2c(c1)OCO2 409100016 PFRQVUMVENYPFV-FMCGGJTJSA-N 433.485 5.088 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1 409104505 FMUBHOXMPKXTEY-UHFFFAOYSA-N 433.964 5.795 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 409173448 NJTPKDBCGGILPT-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB O=C(Oc1cccc2ccccc12)c1ccc(COc2ccc(Br)cc2)cc1 409180368 RBSQRHQGPKKHNH-UHFFFAOYSA-N 433.301 6.401 0 40 IKAB O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 409182962 PQDRHHLXECCSCD-UHFFFAOYSA-N 428.315 6.045 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O 409228602 ZVQNVWVYCLTIFS-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB Cc1cc(NC(=O)CSCc2ccc(Br)cc2)ccc1Br 409411055 SWFIBCCQLMXUSI-UHFFFAOYSA-N 429.177 5.392 0 40 IKAB Cc1cccc(C(=O)N2CCC3(CCCCc4ccccc4OCCN(C)C3)CC2)c1C 643570724 PRMCOKSGUUUARI-UHFFFAOYSA-N 434.624 5.263 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC(c2cccc(Cc3cccc(F)c3)n2)CC1 1848355061 JLTUOILNERLTAQ-UHFFFAOYSA-N 427.523 5.242 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccccc1I 854697 AZZCXUXTCARVBU-UHFFFAOYSA-N 438.652 5.160 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)cc1C 1096003 VUKHZBPXOQSVIA-RUZDIDTESA-N 441.531 5.261 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCOc1c(Cl)cccc1Cl 1834073 UKKAXOODIVIEBF-UHFFFAOYSA-N 445.733 6.103 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 1911806 VBAPMYPPQSPHJX-UHFFFAOYSA-N 441.980 6.795 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(Cl)c1 2057303 CHWZJWOVBPCZTA-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3C(=O)Nc3ccc(C)c(C)c3)n2)cc1OC 2423216 YJAJEMCJTHOQIV-UHFFFAOYSA-N 429.476 5.290 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(F)cc4)nnc-3c3cc4c(cc32)OCCO4)cc1 2690139 YSZMLGQPWQJZDQ-UHFFFAOYSA-N 441.462 5.170 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)c1ccc(Cl)c(Cl)c1 2736342 XMLOANVGGQCJJY-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1cccc(-c2cc(C(=O)Nc3nc(-c4ccccc4)c(C)s3)c3ccccc3n2)c1 2739093 ZCPVKTJXNFROBX-UHFFFAOYSA-N 435.552 6.894 0 40 IKAB O=C(COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccc(Cl)cc1Cl 3223034 MGZQQQAKGNWKKA-UHFFFAOYSA-N 442.323 6.310 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3230839 HZJIAYUZSRGJOU-SFHVURJKSA-N 443.576 5.574 0 40 IKAB CSCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C)cc1 3250552 HJIVDYUANIJMTI-QHCPKHFHSA-N 429.589 5.617 0 40 IKAB CCOc1cc(/C=C/C(=O)OCC(=O)c2ccc3ccccc3c2)ccc1OCC(C)C 3297702 KMKKYTZDDDXDEU-GXDHUFHOSA-N 432.516 5.713 0 40 IKAB Clc1ccc(-c2csc3ncnc(NC4CCN(Cc5ccccc5)CC4)c23)cc1 3349324 QTINEKRVXVOKEW-UHFFFAOYSA-N 434.996 6.088 0 40 IKAB CCN(CC)c1ccc(C(c2c(C)n(C)c3ccccc23)c2c(C)n(C)c3ccccc23)cc1 8397968 NTZXWBHCXSYSNG-UHFFFAOYSA-N 449.642 7.313 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(-c2ccccc2)cc1)[C@H](c1ccccc1)C1CCCC1 9019440 YXXGIIIVUXNKIL-JSOSNVBQSA-N 445.606 7.533 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC 9303395 USRLRTYQDYXFBT-AJTFRIOCSA-N 444.531 5.572 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 9465919 GCKSLFUKLCUXGC-KRWDZBQOSA-N 430.533 5.062 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2ccccc2F)c1 9518416 QIBVLPSZRBQMCA-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB CN(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 9666594 ZXOLFLIGKWVTCR-UHFFFAOYSA-N 448.979 5.402 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1C1CC1 9711774 GHYKXVACLOWECL-UHFFFAOYSA-N 426.611 5.261 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(-c3ccco3)o2)c2ccccc2)cc1Cl 9954717 GCXZAJWAIPXBKU-SFHVURJKSA-N 425.897 5.764 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c1 9975608 UZRPBUFCDXIEDV-SFHVURJKSA-N 433.430 5.110 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccc(F)cc1 9988996 MAEQRXPXNUIBJA-UHFFFAOYSA-N 430.574 5.306 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1NC(=O)N[C@@H](C)c1cccs1 10035396 MROFKNGAAKLGKK-GJZGRUSLSA-N 428.583 5.883 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)N1CC=C(c2c[nH]c3ccccc23)CC1 11074545 RAFAFJKKUPSAIS-UHFFFAOYSA-N 445.744 5.279 0 40 IKAB COc1ccc([C@H]2Nn3c(C)ccc3S[C@@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 11117606 PDNQNBQRHGXTLI-UXHICEINSA-N 447.482 5.222 0 40 IKAB O=C(Nc1oc2ccccc2c(=O)c1-c1ccc(Br)cc1)C1CCCCC1 11691978 VROBNNSVCOOUKX-UHFFFAOYSA-N 426.310 5.741 0 40 IKAB O=C(CCc1csc(NC(=O)c2cccs2)n1)Nc1ccc(Oc2ccccc2)cc1 11834956 ZTYHJHGJJUZMFI-UHFFFAOYSA-N 449.557 5.821 0 40 IKAB CSc1nc2ccc3nc(NC(=S)NC(=O)c4ccc(C)cc4)sc3c2s1 11852826 YKVCRUHFGTZUSC-UHFFFAOYSA-N 430.605 5.063 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 12548967 UVWGKYLODFTVNF-IGCHPXFFSA-N 434.411 5.800 0 40 IKAB O=c1[nH]c(CSc2ccc3c(c2)OCCO3)nc2scc(-c3ccccc3Cl)c12 12568985 SUFOJMIYUYPUBU-UHFFFAOYSA-N 442.949 5.369 0 40 IKAB CC(CNC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)(c1ccccc1)c1ccccc1 12599159 UJDLBHBKDBIVBP-QFIPXVFZSA-N 441.575 5.053 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C 12778656 IBTUFQKEQBMRJR-LJQANCHMSA-N 428.561 5.369 0 40 IKAB Cc1ccc(/C=C/c2nc(S[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n[nH]2)o1 12840037 VEEAQBCYXDVZQS-PLSXKVAHSA-N 437.550 5.119 0 40 IKAB COc1ccc2nc(NC(=O)CSc3nc(-c4ccc(C)cc4)cs3)sc2c1 13471288 WCZADUVGTHESRP-UHFFFAOYSA-N 427.576 5.468 0 40 IKAB CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 13609578 CSLZLCJYCQWQSN-NHCUHLMSSA-N 442.485 5.921 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 14404956 XBIOKPDGJQJNOG-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)nc2cc1Cl 16284293 RZDRYTSOJKCDFZ-UHFFFAOYSA-N 433.986 5.420 0 40 IKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1 17095186 UYRZUFXXKDPVQA-UHFFFAOYSA-N 426.925 5.054 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c1 17097530 NTGXVWWGUBUPBI-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1cccnc1NC(=S)NC(=O)/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1 17097832 VCBKMODXAWNXRQ-CSKARUKUSA-N 432.332 5.483 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@H](c2nc(Nc3ccccc3)cc(-c3cccnc3)n2)C1 19373115 XJIALMYSOGARCF-UNMCSNQZSA-N 439.563 5.345 0 40 IKAB O=c1[nH]c(CN(Cc2ccccc2)Cc2ccco2)nc2sc(-c3ccccc3)cc12 19535996 CTDZZRBKNQENAJ-UHFFFAOYSA-N 427.529 5.447 0 40 IKAB COc1cccc(CN2CCC[C@@](Cc3ccccc3-c3ccccc3OC)(C(=O)O)C2)c1 19565007 XYWKOYQXXKUXSB-NDEPHWFRSA-N 445.559 5.280 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2cccc(Cl)c2)ncc1C(=O)NCc1ccccc1 19764298 VZXDOOWOMCNNPB-HSZRJFAPSA-N 434.971 5.096 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 20481331 SXWZVRVCECAZMY-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1OC 21789249 OQDZFHHPIUUQGX-JOCHJYFZSA-N 428.532 5.446 0 40 IKAB Cc1ccccc1CS(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 22514092 KRTHYYCOMCQGQV-UHFFFAOYSA-N 436.577 5.487 0 40 IKAB CCN1CCN([C@H](c2sccc2C)c2c(NC(=O)c3ccco3)sc(C)c2C)CC1 22920974 CREQXPHUTWNMTI-FQEVSTJZSA-N 443.638 5.307 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@@H]1[C@H](C)CCCC(C)C 25549062 VIXDHGDNWWEKMR-XFWJURFQSA-N 430.632 8.203 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccc(F)cc2)c1C 26770856 KAISQDHSPDASKX-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB O[C@H](CN(C1CCCCC1)C1CCCCC1)Cn1c2c(c3cccc(Cl)c31)CCCC2 28296812 IJRNLARHLQRPMC-JOCHJYFZSA-N 443.075 6.502 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33654293 DRZVACWLCDQNBG-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1ccc([C@H]2CCCN2[C@H](C(=O)O)c2c[nH]c3ccc(Cl)cc23)c2ccccc12 35105635 LQKDNTCCNBXOHV-VWNXMTODSA-N 434.923 5.946 0 40 IKAB O=c1c2ccccc2nc(SCc2nccn2Cc2ccccc2)n1-c1ccccc1F 40067278 LPVKKQNZVDCEPB-UHFFFAOYSA-N 442.519 5.062 0 40 IKAB O=C(N[C@H](Cc1ccc(Cl)cc1F)C(=O)O)OCC1c2ccccc2-c2ccccc21 40710594 LTGUFIDCGQXZES-JOCHJYFZSA-N 439.870 5.014 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 44937268 YCJAWBCHKVBDFY-XMMPIXPASA-N 429.004 5.464 0 40 IKAB CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C 51330454 FCHAMQYISDHWJM-PKXVSIRFSA-N 442.588 5.612 0 40 IKAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3(c4cccc(C(F)(F)F)c4)CCCC3)c2)n1 60774384 TVIWPURTUFDPCS-UHFFFAOYSA-N 441.453 5.215 0 40 IKAB CC(C)[C@@H](NC(=O)COC1CCCCC1)c1ccccc1NC(=O)COC1CCCCC1 95443734 INLDVBNOFPDKBE-AREMUKBSSA-N 444.616 5.137 0 40 IKAB CC(=O)O/C=C(\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 123210296 XMNVJWVQDFNIJF-ZYWSGAFXSA-N 430.585 5.223 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)c(Cl)c2)cc1 216469103 VSOCHCDZYZDQGP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 216473516 IXKDZQFEYQHACC-UHFFFAOYSA-N 437.539 6.629 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 222826437 FRRRNAVCIUXWBP-KRWDZBQOSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223216417 AEPOUEPZTMPOJM-VWLOTQADSA-N 436.640 5.773 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(F)(F)F)c1 223936930 ZGPZMOZJQKBWTG-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(C)cc3)cc2)cc1 223997439 ZBVDCDNIRKKOIZ-QGZVFWFLSA-N 440.590 5.009 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224034351 MORMSRJLFHUTIQ-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1C 224275900 SWAHSJCJQOOXJZ-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB COc1ccc(CNC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224299125 XEHYUNQZIJYXCV-UHFFFAOYSA-N 427.500 5.366 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccccc1Cl 224478713 GBQXADNYLTWVDK-UHFFFAOYSA-N 434.294 6.363 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccc(Cl)cc1 224497026 KIVLYTCQLBKAIQ-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB Cn1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c1 224653941 LYSSFDYSQXZDCT-ZEQRLZLVSA-N 426.545 5.390 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(C)c(C)c1 225120314 DTMZHLAZYDCWGH-AREMUKBSSA-N 434.624 5.411 0 40 IKAB O=C(c1ccc(Br)cc1)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225261552 MCQOWIHTXIEQFU-LICLKQGHSA-N 444.379 5.155 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225331305 ODJZFQNNNSQAGK-MSOLQXFVSA-N 449.422 5.566 0 40 IKAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225361033 YLRXXCIVPFAFRA-YADHBBJMSA-N 435.618 5.950 0 40 IKAB C[C@H](NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)c1ccc(Cl)cc1 225833844 IRHAJHLJJCBKSV-KRWDZBQOSA-N 431.923 5.867 0 40 IKAB C[C@H](NC(=S)Nc1nc(N2Cc3ccccc3C2)cc(C(F)(F)F)n1)c1ccccc1 225963689 IXRPEFBNPUWAMN-AWEZNQCLSA-N 443.498 5.063 0 40 IKAB Cc1c(Cl)cccc1S(=O)(=O)NC(=O)c1ccccc1Oc1ccc(Cl)cc1 257323626 WLEOFTCRRLBJIP-UHFFFAOYSA-N 436.316 5.213 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCC[C@H]3C)cc2)CCCCCC1 260818204 XRRCQOMIMJVNFR-JOCHJYFZSA-N 430.633 5.788 0 40 IKAB CCCCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 409004285 PDHFSKVSUPBMFM-MOHJPFBDSA-N 441.483 5.429 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccccc1F 409113858 OHZXIBQTZIMRET-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB O=C(O)c1cccc2c1N[C@H](c1cc3c(cc1Br)OCO3)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]21 409337019 SJOHSWVVQUXVAQ-VEFHTKKOSA-N 442.309 5.173 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc5c6c(cccc46)CC5)cc3n2)cc1 848909 PKPJAEFPPMSRMN-UHFFFAOYSA-N 434.499 5.323 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 883202 QUTOQTJUAQTFEG-GOSISDBHSA-N 431.561 5.067 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(C)ccc2C)cc1 888254 BLNHUALPTOCNPF-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 1813000 RVXCXYRTTXRPSD-UHFFFAOYSA-N 428.623 5.745 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c(C)c1 1840255 YUHZZMGKCCBAJA-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccc(Cl)cc1 1844925 OHYGPSBZSSMHFZ-UHFFFAOYSA-N 441.906 5.476 0 40 IKAB CC(C)c1ccc(N2C(=O)C(Nc3ccc(F)cc3)=C(Sc3ccccc3)C2=O)cc1 1918471 UGYWJTOBGIATIV-UHFFFAOYSA-N 432.520 5.938 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3cccc(Cl)c3)n2-c2ccccc2)cc1 2329603 ADUMOSFYJMAIOS-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cc(C)cc(C)c2)cc1 2441442 RBMHEHQTTVFFEA-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB Cc1nn(C(C)(C)C)c(OC(=O)c2ccc(Br)cc2)c1Sc1ccccc1 2718554 ARBDQDVLCRQKJQ-UHFFFAOYSA-N 445.382 6.079 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)c3sc4ccccc4c3Cl)c2C(=O)OC)C1 2742415 AGBDTGXSUDILQN-NSHDSACASA-N 433.982 6.170 0 40 IKAB O=C1CCCC(OC(=O)c2cc([N+](=O)[O-])ccc2Cl)=C1Sc1ccccc1[N+](=O)[O-] 3177635 SRKOZVUGJXGIIP-UHFFFAOYSA-N 448.840 5.070 0 40 IKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1 3230482 YALVKNBFQNCLLC-OAHLLOKOSA-N 437.914 6.694 0 40 IKAB C[C@@H](OC(=O)CCCSc1nc2ccccc2s1)C(=O)N1CCCc2ccccc21 3328844 CHYNHYVUWQPCDT-MRXNPFEDSA-N 440.590 5.080 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3cccc(Br)c3)c2C1 3342288 CHDYSZUATNPALX-AWEZNQCLSA-N 438.321 5.162 0 40 IKAB COc1ccc(CN2C[C@@H]3C[C@H](C2)c2ccc(-c4ccc5ccccc5c4)c(=O)n2C3)cc1 4237284 OHOMFZCJNJJATQ-SQJMNOBHSA-N 436.555 5.296 0 40 IKAB biogenic,in-vitro CN1CCN(c2ccc(/N=c3\cc(-c4ccccc4)oc4ccc(Cl)cc34)cc2)CC1 6144197 ABVWLQJURSQBCA-ZZIIXHQDSA-N 429.951 5.737 0 40 IKAB Cc1ccc(C)c(CN2C(=O)N(c3cc(Cl)ccc3C)S(=O)(=O)c3ccccc32)c1 8608514 HOXLEXVMZLODIW-UHFFFAOYSA-N 440.952 5.601 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 8690346 WMGBSVHUSLORKX-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Br)o1 8943669 NPEUHSQHUHGFHA-UHFFFAOYSA-N 431.233 5.361 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 9041136 AEMVLFYCLXAYJK-RPLLCQBOSA-N 442.559 6.244 0 40 IKAB C[C@H]1C[C@H](N(C(=O)c2cccs2)c2ccccc2)c2ccccc2N1C(=O)c1ccco1 9130166 SYCJJBDJESXAPU-AVRDEDQJSA-N 442.540 6.168 0 40 IKAB CC[C@@H](CO)Nc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9273971 IFLDLYLFGNHLPU-LBPRGKRZSA-N 446.642 5.119 0 40 IKAB S=C(Nc1cccc(Cl)c1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 9391134 YFIVPXLEHIKSMM-LJQANCHMSA-N 436.795 6.250 0 40 IKAB O=C(COc1ccc(Cl)cc1)Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1 9430730 VDLVZWBZCWTYOH-UHFFFAOYSA-N 447.295 5.813 0 40 IKAB CCOC(=O)c1sc(Nc2nc3ccc(SC)cc3s2)nc1-c1ccccc1 10068946 GLKHSLRODBWWJU-UHFFFAOYSA-N 427.576 6.062 0 40 IKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C(F)(F)F)nn23)cc1 10343825 NNYWDMCYBFADHZ-UHFFFAOYSA-N 446.860 6.519 0 40 IKAB CCn1c(SC[C@@H](O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10374458 IEYZTUZYGISFCG-GOSISDBHSA-N 440.565 5.418 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1nccs1)Nc1ccc2c(c1)oc1ccccc12 12360281 KPBVEKCSGXCKQW-UHFFFAOYSA-N 443.484 5.312 0 40 IKAB CC(=O)Nc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1 12491449 FYTIIWIERRXYRQ-HSZRJFAPSA-N 440.528 5.177 0 40 IKAB O=C(O)CC/C(=C\c1cccc(Oc2ccc(Cl)cc2)c1)c1nc2ccccc2s1 12620010 FLBGLEPTUHREPJ-SAPNQHFASA-N 435.932 7.147 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 12780745 RAHHXAQGWSGUKV-UHFFFAOYSA-N 434.348 5.136 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc4c(c3)CCC4)[C@@H]2c2cccs2)cc1 13040495 RWRUBUFZHDDDPX-RCZVLFRGSA-N 430.573 5.668 0 40 IKAB CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC[C@@H]3CCCC[C@@H]32)c1=S 13071828 RWGDUDCBAGTJRV-KXBFYZLASA-N 439.456 6.581 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1CCc1ccccc1 13097063 DJANGZNNIDBEGX-UHFFFAOYSA-N 431.561 5.296 0 40 IKAB COC(=O)c1ccc(COc2ccc(-c3ccc(I)cc3)cc2)cc1 13134240 XNELZLRXNGTDRO-UHFFFAOYSA-N 444.268 5.324 0 40 IKAB CCOc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N2CCCCC2)c2ccccc12 13550016 PVINCJMVXRVUTI-CLCOLTQESA-N 428.532 5.022 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncc(-c2ccccc2)n1C1CCCC1 13562206 RUOGIQNLNKBBJR-GOSISDBHSA-N 449.595 6.264 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(F)cc1)C1CCCCC1)c1nnnn12 13568271 OCYOPLBGJXBDCC-UHFFFAOYSA-N 448.571 5.257 0 40 IKAB COc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628221 RCTLQPOKOXCPJU-UHFFFAOYSA-N 432.520 5.263 0 40 IKAB O=C(NCCSCc1ccc(Cl)c(Cl)c1)c1ccccc1CCc1ccccc1 13688305 NYYRBSBBWZMMKY-UHFFFAOYSA-N 444.427 6.442 0 40 IKAB CCn1c(COc2ccccc2C)nnc1SCC(=O)Nc1cccc2ccccc12 14121512 KXXANTXDCGCOSP-UHFFFAOYSA-N 432.549 5.069 0 40 IKAB CCc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(OC)c(OC)c3)sc2c1 15881794 FSXSWIDRXKYYPO-UHFFFAOYSA-N 433.533 5.118 0 40 IKAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OCc1ccccc1 15947663 SUSJHEJVLLRLIP-WNSKOXEYSA-N 434.561 5.889 0 40 IKAB CSCC[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 16001410 FIKTZYPOVSZRHM-CQSZACIVSA-N 447.985 5.473 0 40 IKAB O=C(C[C@@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Br)cc1 16477276 SLBUFGQKBFGLNK-OAQYLSRUSA-N 431.782 7.209 0 40 IKAB CCOc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1 16689081 VXIZVMCIQAPMCW-UHFFFAOYSA-N 425.912 5.336 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cn1nc(C2CCCCC2)n(-n2cccc2)c1=S 16807075 GCWXBEZUHDCPDQ-UHFFFAOYSA-N 429.977 5.175 0 40 IKAB CC(=O)Nc1c(Br)cc(Br)cc1-c1nc2ccccc2s1 17094703 KPAJZPPMDGVDIJ-UHFFFAOYSA-N 426.133 5.447 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3cscn3)cc2N1 19083323 LALWJGVKPNTNAD-HRCADAONSA-N 441.523 5.041 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 19400610 FWYNNGDBIOFPQV-OFVILXPXSA-N 442.588 5.075 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(Cl)c(Cl)c3)nc2c1 19637657 UUDPRHQKYFYLBR-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 20107569 AAIWJBAFZORVFC-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20110172 UTWXYEIYDIUEGI-MHZLTWQESA-N 442.603 5.395 0 40 IKAB Brc1ccc(OCc2ccccn2)c([C@H]2NCCc3c2[nH]c2ccccc32)c1 20111544 JTWMFCPJMLUFQR-JOCHJYFZSA-N 434.337 5.140 0 40 IKAB biogenic O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)[C@@H](c1ccccc1)C1CCCC1 20509311 PWYSTSSRABAUCN-DEOSSOPVSA-N 430.935 7.061 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1 21305790 DKTDCGDNDBYXHA-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB CCc1ccc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)cc1 21595738 JZBAOGMJQKNKSC-UHFFFAOYSA-N 444.984 5.663 0 40 IKAB COc1cccc(CN(C)C(=O)c2ccccc2-c2ncc(-c3ccc(C)cc3)o2)c1OC 23178196 BAFXWIRVPTZMSQ-UHFFFAOYSA-N 442.515 5.606 0 40 IKAB CN(Cc1ccc(Br)s1)C(=O)c1ccccc1NC(=O)c1cccs1 24927495 WMNPQULZCQYTRQ-UHFFFAOYSA-N 435.368 5.097 0 40 IKAB CCOC(=O)[C@H](C)Sc1nnc(COc2ccc(Cl)c(C)c2)n1C1CCCCC1 27345848 IPNBBHJMWBOQTP-HNNXBMFYSA-N 437.993 5.368 0 40 IKAB O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)C12CC3CC(CC(C3)C1)C2 27468511 QSNDUTLLFIWFBZ-UHFFFAOYSA-N 428.359 6.379 0 40 IKAB Cc1ccccc1C1=N/C(=C/c2cc3cccc(C)c3nc2Sc2ccccc2)C(=O)O1 27573033 UYOOTVIGAYRJDY-XQNSMLJCSA-N 436.536 6.347 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3cccs3)n2-c2ccccc2OC)n1 27776408 KGWHIZGTTCROOW-ZDUSSCGKSA-N 427.555 5.193 0 40 IKAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccccc12 27794278 IQXJUASVLCNHFW-HXUWFJFHSA-N 428.919 6.438 0 40 IKAB CC(=O)c1cccc(NC(=O)Nc2c(C)nn(Cc3ccc(Br)cc3)c2C)c1 27921528 UKSOIEAGKSWPJK-UHFFFAOYSA-N 441.329 5.157 0 40 IKAB N#CC(C#N)=C1C=CC=CN1/C(=C/c1ccc(F)cc1)C(=O)c1ccc(Br)cc1 33738799 NYVLHHZXPZWWSQ-LPYMAVHISA-N 446.279 5.499 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N(Cc1ccccn1)c1ccc(Cl)cc1 48324996 QKSQBAWMDCGGSW-UHFFFAOYSA-N 446.938 5.326 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2cc(NCc3ccccc3Cl)ncn2)c(C)c1 49006706 DWDBVPGBTXPQEZ-UHFFFAOYSA-N 426.973 5.398 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n[nH]2)c(OC)c1 57413089 GNIVANRFEVOCHJ-UHFFFAOYSA-N 425.794 5.018 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12 57991516 YERPBAYZZQOBGD-UHFFFAOYSA-N 433.943 5.296 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(-c2ccc(Br)cc2)o1 59186107 WMFPZNXYAQKDPA-YBEGLDIGSA-N 434.211 6.221 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)s1 68713032 FLKIUXABHPZTPP-QHCPKHFHSA-N 425.937 5.026 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230077 PNSFBUWPTJFYNB-OAQYLSRUSA-N 430.331 5.871 0 40 IKAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCO2)[C@H](c1ccccc1)c1ccc(Cl)cc1 89827622 GGVSOLUXKDARRZ-OAQYLSRUSA-N 435.328 5.427 0 40 IKAB O=C(NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1)c1cccc(Cl)c1 100219450 ZFOLHFIEIBUKNX-MAEOIBBWSA-N 446.938 5.642 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100289556 KZJDDLZDKVGKTB-SJMAZCTISA-N 442.603 6.027 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@@]5(C)C[C@H]4CC(C)(C)C5)cc3)sc2c1 102971968 ZTPBCHLRBHJYTD-CLOONOSVSA-N 435.662 6.869 0 40 IKAB COc1ccccc1N1C(=O)/C(=C\Nc2cc(Cl)cc(Cl)c2)c2ccccc2C1=O 102981906 DUGZXAIJUHNJKT-UYRXBGFRSA-N 439.298 5.642 0 40 IKAB Cc1cc(OCC(=O)Nc2ccccc2Oc2ccccc2)cc(C)c1Br 218838204 NKNYYEQCSIOOFD-UHFFFAOYSA-N 426.310 5.876 0 40 IKAB Cc1ccc(N2CCC(C(=O)NCCSCc3ccc(Cl)cc3Cl)CC2)cc1 219853706 KTIFZTBEVUJKEX-UHFFFAOYSA-N 437.436 5.568 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 222501084 AJETTZXFSOQZIC-SANMLTNESA-N 430.592 5.413 0 40 IKAB Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1 223340591 OKWLKNDTDPFPLD-PKTZIBPZSA-N 447.585 5.900 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccccc1C 224142944 LKCUONROAQKTNE-XMMPIXPASA-N 436.577 5.010 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccccc1 224158193 IEMNJKIKWQMGMV-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181671 WNFZSIHVJKWWOU-XZOQPEGZSA-N 441.512 5.217 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224215670 ZDSRRERAXFTGEU-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2OC)c1 224255719 XNQGSLNWMMRNOW-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COCc3ccccc3)c2)cc1 224357008 BSPPNZUIQYCDDN-UHFFFAOYSA-N 447.531 5.621 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cc1COc1ccccc1 224368126 AYZHBWKJFOWUBH-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccccc3F)o2)cc1 224444717 AJPYFDHVYPSXQU-DHIUTWEWSA-N 433.483 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COCC(C)C 224737646 JVMMNDGNVNZFND-UHFFFAOYSA-N 430.759 6.470 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225176939 AHZXKTHKBIYOSD-FQEVSTJZSA-N 426.582 5.738 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225370870 WIYRWDQEFVUQSD-INIZCTEOSA-N 441.358 6.056 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225573904 RVIIXXAARYYZNN-CQSZACIVSA-N 441.786 5.131 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cccc1-c1ccc(C(=O)O)o1 226355519 PRATVHJAHJIBLN-UHFFFAOYSA-N 436.533 5.378 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccccc5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242495352 GCLTXTVXGOMTNM-LMBGGLNVSA-N 438.696 6.780 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@]32CSC(=O)N2c2ccccc2)cc1 248185225 GYYCHPLVFWVGCJ-RDGATRHJSA-N 443.528 5.266 0 40 IKAB CC(C)=CCC[C@@]1(C)Oc2ccccc2[C@@H]2O[C@@H]3CCN(C(=O)OC(C)(C)C)C[C@@H]3C[C@H]21 257336002 YMSQZDKVVMTSBL-FWMFXEEISA-N 441.612 6.287 0 40 IKAB O=C1CS[C@@H](c2ccccc2OCc2ccccc2Cl)N1c1ccc(Cl)cc1 408556881 KNHGHPGOSJHCEK-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)c1C 408699852 ZTMVKNJZEZRWIS-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C1/C(=C\c2ccncc2)N=C(c2ccc(Cl)cc2)N1c1ccc(Br)cc1 408843201 QVWUPNQLLVDFAL-CPNJWEJPSA-N 438.712 5.332 0 40 IKAB CCOc1ccc(C2=N/C(=C/c3ccccc3OCc3ccc(Cl)cc3)C(=O)O2)cc1 409008742 DPLHSYUOUMSKNW-PXLXIMEGSA-N 433.891 5.662 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1cccc(F)c1 409110319 BPHQAZBXIKKEKY-UHFFFAOYSA-N 443.518 7.208 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)cc1 409110690 FYCVQBRMVMQBQD-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CCc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(OC)c1 409117524 PBVOKROYFPTUNU-UHFFFAOYSA-N 426.354 6.211 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)c(C)c1 409133641 NPCGIBWMMUFFOY-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccccc1NC(=O)CCC(=O)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409174739 UMAFCUJTSQGXQN-RUZDIDTESA-N 435.907 5.535 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)OCC(=O)c2ccc3ccccc3c2)cc1 409184700 ZGKHETPXOJUTRC-UHFFFAOYSA-N 426.468 5.467 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 409198102 XAXXDFBEAHDPIX-UHFFFAOYSA-N 426.541 6.387 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409377577 IMJYZAUYBTXVQU-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(COc2ccccc2)n1-c1ccccc1 648747 XAQHTJXOFAKMNZ-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccncc2)c1 664066 NCKLFMLQRGJSMG-UHFFFAOYSA-N 437.366 5.693 0 40 IKAB O=C(Nc1ccccc1OC(F)(F)[C@H](F)C(F)(F)F)Nc1cccc2ccccc12 716907 YZSBYYGLWUYEHG-QGZVFWFLSA-N 428.332 6.356 0 40 IKAB O=C(Nc1cccc(-c2nc3cc(Cl)ccc3o2)c1)c1ccc(Br)cc1 826458 JGFXCWZBXOCBBB-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB COc1ccc(CCN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)C2CC2)cc1OC 1367664 WBINHMUFDUFBSM-UHFFFAOYSA-N 438.955 5.195 0 40 IKAB CCN(CC)c1ccc(N[C@H](c2ccc(Cl)cc2)[C@@H](O)c2ccc(Cl)cc2)cc1 1669485 ZDSGIPWJEGRVHD-RPWUZVMVSA-N 429.391 6.726 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(F)cc1 2060204 AFTZPMDEYYGOKF-UHFFFAOYSA-N 448.313 5.746 0 40 IKAB CCn1c2ccccc2c2cc(N3COc4ccc5c6c(c(=O)oc5c4C3)CCC6)ccc21 2125432 OGXHZNGFUPERBC-UHFFFAOYSA-N 436.511 5.766 0 40 IKAB biogenic CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 2177303 PFRCVDFDQAASQQ-AATYUJHQSA-N 436.382 7.111 0 40 IKAB CC(C)(COC(=O)Nc1ccc(Cl)cc1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1 3064709 YUQJFOZSJKAAHB-GOSISDBHSA-N 439.364 5.595 0 40 IKAB CCOc1ccc(-n2c(S[C@@H](C)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 3333786 FINDWYHWUAHKPT-SFHVURJKSA-N 431.561 6.195 0 40 IKAB Cc1c(C(=O)NCC(=O)Nc2ccccc2Br)oc2c1ccc1ccccc12 3455349 VTNSWEAXSKADES-UHFFFAOYSA-N 437.293 5.025 0 40 IKAB COc1ccc(CNCC[C@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC 6814139 PDOJPRSZBTWHHK-VWLOTQADSA-N 425.613 6.335 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Cl)cc2)=NN1c1cc(Cl)ccc1Cl 8427195 RLPNYOQXRRHRGH-HXUWFJFHSA-N 431.750 7.011 0 40 IKAB CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C 8660419 VKHAHZOOUSRJNA-NVVJBRLPSA-N 429.604 5.407 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)cc1 8871454 CSHYXBQEGHMQPF-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 9027294 OVWROFOXSJGFIW-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB CCCCCCc1cc2cc(-c3csc(/C=C/c4ccccc4)n3)c(=O)oc2cc1O 9070552 HGBMOUZLBAYJRN-OUKQBFOZSA-N 431.557 6.915 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccc(Cl)cc21)c1ccco1 9129483 IZDKOCBJZZAFEH-RUZDIDTESA-N 431.875 5.094 0 40 IKAB Cc1ccc(C)c(CSC2=NCCN2C(=O)C2c3ccccc3Oc3ccccc32)c1 9277461 SNRYBZHVQYGDGC-UHFFFAOYSA-N 428.557 5.673 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(C(=O)c2ccccc2)cc1 9494583 XBGFRBUVXOHGPH-UHFFFAOYSA-N 436.515 5.155 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)ccc1Cl 9730299 ZJGPAQWZRYLGNP-GOSISDBHSA-N 439.968 5.444 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2SCc2ccccc2)cc1NC(=O)c1ccco1 9872422 WKCBJXPLLNZKJF-UHFFFAOYSA-N 442.540 6.385 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccccc2F)sc1C 11614258 JEQKCRXMZKGMLZ-GOSISDBHSA-N 440.883 5.409 0 40 IKAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccccc4F)C3)cc2n1 12220363 BOPROLDWWDKKPT-AWEZNQCLSA-N 434.437 5.030 0 40 IKAB C[C@H]1CN([C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@@H](C)O1 12620830 JWVCPRQCIKOFRB-BIENJYKASA-N 426.866 5.148 0 40 IKAB CCCCOc1ccc(C(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C2CC2)cc1 12876985 UALYTPRSOUPNRT-UHFFFAOYSA-N 425.916 5.374 0 40 IKAB Cc1cccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)c1 12878266 JPIWQGUJQPDJMC-UHFFFAOYSA-N 429.014 5.291 0 40 IKAB Cc1ccc2cc(COC(=O)C3(CC(=O)NC(C)(C)C)CCCC3)c(Cl)nc2c1C 13002128 WMJZARZHHGWMTO-UHFFFAOYSA-N 430.976 5.413 0 40 IKAB CSc1nc(-c2ccco2)nc(C)c1C(=O)Nc1ccc(OC(F)F)c(Cl)c1 13008527 BXHSRSYETQLNTL-UHFFFAOYSA-N 425.844 5.274 0 40 IKAB CCOc1cc(/C=C(\Cl)c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1OC 13039400 KEDPKIVXFVUEHE-GQVHDAKQSA-N 430.957 5.254 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCC3)c(Cl)cc2Cl)c1 13039657 ZIYWHEMHJRKRQO-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB CCc1ccc(CN(Cc2cccnc2)Cc2ccc(OC)c(Cn3cccn3)c2)cc1 13569108 OWRZXFHGFKWMQG-UHFFFAOYSA-N 426.564 5.100 0 40 IKAB Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 13936242 KIDKAHPTUBEQOG-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4sc5ccccc5c4Cl)cc3n2)cc1 14272698 HKHWMPZSTMHCAS-UHFFFAOYSA-N 446.963 6.412 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1)c1ccccc1 14396791 BGWHJTHEPOITMA-VQTJNVASSA-N 444.575 5.881 0 40 IKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@@H]3c2ccc(OC)c(OC)c2)cc1 14607118 XYFHZSSJBJUESM-OAQYLSRUSA-N 443.503 5.591 0 40 IKAB Cc1c(C(=O)Nc2ccc(Br)cc2)sc2nc(-c3ccc(F)cc3)cn12 16992463 MCBXNZIWEYNQFJ-UHFFFAOYSA-N 430.302 5.525 0 40 IKAB Fc1ccc(CSCc2nnc(S)n2-c2ccccc2C(F)(F)F)c(Cl)c1 17098661 SVMGMJYTQRWJAJ-UHFFFAOYSA-N 433.883 5.801 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 17112928 CJSCLXGUVKYALZ-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)[C@H](C)c3ccccc3)cc2)on1 19123753 VXMFIFMCKKDJHT-LJQANCHMSA-N 440.547 5.650 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3ccccn3)n2)c1 19401741 JIRCPHMXIHUNLT-XMMPIXPASA-N 440.526 5.544 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C2CCCC2)CC1 19700281 KVSJFIQLUGWOMY-UHFFFAOYSA-N 438.637 5.281 0 40 IKAB CCN(C(=O)c1scnc1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711972 LEURNDAOJPJOAM-FCHUYYIVSA-N 442.531 5.779 0 40 IKAB O=C1CCC[C@@H]2[C@H](C[C@H](c3ccc(C(F)(F)F)cc3)N2Cc2cccc3cccnc23)N1 19713849 JVYIEASJNVWOMP-BHDDXSALSA-N 439.481 5.238 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 19856021 RFGKCOZDJQJUDH-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3C)cc2Cl)cc1 20459357 VAEMWOKAVQSSGL-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(-c3ccoc3C)o2)cs1)c1ccc(C)cc1C 26129143 JIPZTZDUYNQNIS-UHFFFAOYSA-N 440.550 5.688 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 30027966 WYNDGMJHCNIWHT-UHFFFAOYSA-N 446.503 5.546 0 40 IKAB Cc1cc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)c(C)c1 33089241 POROARZTJUIXMX-AWEZNQCLSA-N 425.326 5.059 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1 34910604 JNHHENCUADHQGF-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 40485578 PYIPZGKWVDJQPF-AREMUKBSSA-N 427.544 5.914 0 40 IKAB Cc1ccc(NC(=O)CSC2=NC3(CCCCC3)N=C2c2cccs2)c(Cl)c1 46022398 XUOUWUSOPLGKEZ-UHFFFAOYSA-N 432.014 5.943 0 40 IKAB Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccccn3)c3ccc(Cl)cc3)c12 48277596 HCAFZQHMOGSNDC-UHFFFAOYSA-N 444.878 5.687 0 40 IKAB Cc1c(C(=O)C(F)(F)F)c2ccccc2n1CC(=O)Nc1cc(Cl)cc(Cl)c1 59109438 HVENNWGWYBCZCO-UHFFFAOYSA-N 429.225 5.640 0 40 IKAB COc1ccc(-c2noc(-c3cn(-c4ccc(C)cc4)c(=O)c4ccccc34)n2)cc1OC 67245256 UWVMIHXQFONWBG-UHFFFAOYSA-N 439.471 5.033 0 40 IKAB CCOc1ccccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)Nc1cccc(C)n1 67294877 UVHUWDBHBOOYFL-PNHLSOANSA-N 433.895 5.673 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 71330004 BHHKGIJJMIHMAS-UHFFFAOYSA-N 428.542 6.731 0 40 IKAB NC(=O)NCc1ccc(NCc2cn(Cc3ccccc3Cl)nc2-c2ccccc2)cc1 95467767 JUJUTWXNCUSWQT-UHFFFAOYSA-N 445.954 5.032 0 40 IKAB CO[C@@H]1CCN(c2ccc(NS(=O)(=O)c3cccc(-c4ccc(Cl)cc4)c3)cc2)C1 96381994 ZBWLLLBFJVBIPL-JOCHJYFZSA-N 442.968 5.033 0 40 IKAB COc1cccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccc(Cl)cc4[C@H]3C2)c1 103176962 ZRJVQQDBLOTKDL-VWNXMTODSA-N 436.964 6.313 0 40 IKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4)C3=O)c2c1 106687552 QWYSERBAYKXDIW-MTJSOVHGSA-N 439.920 5.747 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 107678999 OJSFCSYGQUYJMP-HOTGVXAUSA-N 426.538 5.407 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 223093934 ZIAMZWPDVKSXCL-UHFFFAOYSA-N 444.575 6.125 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223184395 PCBDYXSYBZEQCV-FQEVSTJZSA-N 443.031 5.730 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2cc3c(cc2OC)CCCC3)cc1C(C)C 223383543 VGCWNRUJJKPNIS-KRWDZBQOSA-N 431.598 5.054 0 40 IKAB COc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)cc1COc1ccc(C)cc1 224129934 BVHOCCPXLJJGMA-UHFFFAOYSA-N 437.539 6.102 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(Cl)c(C)c1 224211292 HVRWPLUHTIZLSK-UHFFFAOYSA-N 438.911 5.447 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)nc1 224259773 DTCGDDBWAMWCMP-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(Cl)cc1 224501380 SWOYBDCSDPHFKS-UHFFFAOYSA-N 439.895 5.341 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225217267 UIBJCMNHDCREAT-HSZRJFAPSA-N 445.003 5.176 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccccc2Cl)ccc1N1CCCC1=O 225607969 MWVCKKQHKNDFQH-UHFFFAOYSA-N 448.057 5.385 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3cnccc23)CC1 257233897 GRFJBFGFWICCOW-HXUWFJFHSA-N 438.531 5.302 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@@]2(CC1)CN(c1ccccc1)C(=O)O2 257320364 VWMBFTVCFXLZLW-MUUNZHRXSA-N 440.543 5.227 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccc(-c4ccc(Cl)cc4Cl)o3)N21 260762900 HVBXVPCBGLKPCX-OREJSRFESA-N 444.387 6.628 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 306139840 UCEFXDULKJLEOH-HKUYNNGSSA-N 445.592 5.378 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1S(=O)(=O)Nc1ccccc1 408547717 LWGKOCSZYKZMGJ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCCOc1c(Cl)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408554281 CEOBOOYVAZVXQY-HXUWFJFHSA-N 426.365 5.960 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cc(C)ccc2C)cc1 408697687 LBCOIJHMENCRJA-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2ccccc2)s1)c1ccc(Br)cc1 409051866 NRFDTYFGZGGZIM-UHFFFAOYSA-N 441.375 6.553 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc(F)c3)c(OCC)c2)C1=O 409062648 YIONFVNXAYIXFL-STZFKDTASA-N 429.513 5.640 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccc(F)cc1 409120048 UNDYQXJWSPPFHY-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(Cl)c(Cl)c1 409356540 HRYFDJXNOMLLEJ-RQZCQDPDSA-N 432.284 5.336 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@H]3O[C@@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@@]1(COC(=O)C1)O2 504379584 CVOGMLCVYFNXLE-UUQFWEIJSA-N 440.580 5.188 0 40 IKAB biogenic COc1cccc(-c2nccc([C@H]3CCCN3C(=O)C(c3ccccc3)c3ccccc3)n2)c1 1848355705 IADZEADRDQHYGZ-AREMUKBSSA-N 449.554 5.648 0 40 IKAB CC(C)Oc1ccc(CSc2nc(N)c3c4c(sc3n2)CO[C@@H](C(C)C)C4)cc1 1250880 YLTRLJLMYLJKDQ-QGZVFWFLSA-N 429.611 5.450 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)c(Cl)c1 1854736 AESQEDVBCBJQND-UHFFFAOYSA-N 441.906 5.394 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)cc4C)ccc3o2)c1 1857994 ICKZYJQQGGDYDK-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccc(C)cc3C)cc2)cc1 1916191 KTAOHJKIOGIMCF-UHFFFAOYSA-N 430.548 5.916 0 40 IKAB CC(C)(C)OC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2249190 PLQMJDGGFBGHPQ-UHFFFAOYSA-N 428.414 5.130 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc(OC)c3)nnc2-c2ccc(OC)cc2)cc1 2440874 SXRLIRULBRDMAJ-UHFFFAOYSA-N 447.560 5.643 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccc(Cl)c4)ncnc32)cc1 2715179 WUCWCMWYPHQAAD-UHFFFAOYSA-N 440.934 6.362 0 40 IKAB Cc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(C)cc2)N2NC=NC2=N3)cc1 2915343 JYJZEMKRIHSWLE-DQEYMECFSA-N 440.934 5.761 0 40 IKAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 3249876 INGFPUNJYPDUAJ-UHFFFAOYSA-N 432.501 5.203 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 3324207 CNBYSYJODWNUME-IRXDYDNUSA-N 432.659 5.317 0 40 IKAB COc1ccc2nc(NC(=O)c3ccc(Cl)c(NC(=O)c4cccs4)c3)sc2c1 3352546 GUHPOMTVRWATOD-UHFFFAOYSA-N 443.937 5.524 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6147248 XVENMFDHHPWRJX-UHFFFAOYSA-N 446.503 5.546 0 40 IKAB COc1ccccc1-n1c(SCC(=O)OC2CCCCC2)nnc1-c1ccccc1C 6444242 JSDWADOWPDPBEP-UHFFFAOYSA-N 437.565 5.219 0 40 IKAB Clc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2c2cccc(Cl)c2)cc1 8386293 YWTOWQBIFSWEHN-NRFANRHFSA-N 446.175 7.112 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c(C)c1 8754679 HICQIQIBOSQYSW-HSZRJFAPSA-N 439.559 5.248 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)c3cccs3)c1)O[C@@H]1CCCC[C@H]21 8783015 JYQQAGGPXAPCLP-OSWQYVSFSA-N 449.572 6.163 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c1ncn1c(-c3ccc(Cl)c(Cl)c3)nnc21 9185471 QFNGWYQOGJMCQD-UHFFFAOYSA-N 429.698 5.399 0 40 IKAB CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1 9237216 VRNJKSSNWIHKKW-LFVJCYFKSA-N 440.499 5.120 0 40 IKAB O=C(Nc1nnc(SCc2ccc(C(F)(F)F)cc2)s1)c1ccccc1Cl 9366615 UOCYEBZBTBUKAN-UHFFFAOYSA-N 429.876 5.755 0 40 IKAB CCCOc1ccccc1/C=c1\sc2nc(-c3ccccc3)c(-c3ccccc3)n2c1=O 9375286 RMCDVBBWTIPPFK-NKFKGCMQSA-N 438.552 5.427 0 40 IKAB O=C(c1ccccc1Br)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 9461875 QFQZPOYENUPJFI-UHFFFAOYSA-N 433.305 5.138 0 40 IKAB Cc1ccccc1OCc1nc2c3c(ncn2n1)Oc1cc(O)ccc1[C@H]3c1ccccc1 9583884 LGBLBPJKTARNFM-HSZRJFAPSA-N 436.471 5.003 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)cc1 9730534 CVWNWJOSMIRKFY-HSZRJFAPSA-N 426.299 5.001 0 40 IKAB Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccc(F)cc3)n2)cc1C 9761223 OMBVYELBEAIQNZ-JOCHJYFZSA-N 433.577 6.983 0 40 IKAB COCCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21 9836820 STKNPFFRZCBIQF-JOCHJYFZSA-N 435.524 5.294 0 40 IKAB Cc1ccn2cc(-c3cccc(NC(=O)C4c5ccccc5Oc5ccccc54)c3)nc2c1 10272029 CUJKZDSFSQOTDQ-UHFFFAOYSA-N 431.495 6.186 0 40 IKAB COc1cccc2c1O[C@H](c1ccc(C(C)(C)C)cc1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 12193318 VJYHOXGJQWDJRY-ZEQKJWHPSA-N 446.978 6.888 0 40 IKAB Clc1ccc2c(c1)nc(CSc1nncn1-c1ccccc1)n2Cc1ccccc1 12822134 LNQMGNQOGOCQJS-UHFFFAOYSA-N 431.952 5.611 0 40 IKAB COc1ccc(-c2nc(CSCC(=O)c3cc(C)n(C4CC4)c3C)cs2)c(OC)c1 12917411 DQWUENJBXSIUIB-UHFFFAOYSA-N 442.606 5.697 0 40 IKAB O=C(CN[C@@H](Cc1ccccc1)c1ccccc1)Nc1c(Cl)cc(Cl)cc1Cl 13001337 ADNYDWVGONNMLT-FQEVSTJZSA-N 433.766 6.159 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[C@H]1CCSc2ccccc21 13028064 VNLKZFXHBLFNQT-SFHVURJKSA-N 449.626 5.804 0 40 IKAB Cc1cccc(C)c1OCCOC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 13062781 AYXOHMGYWSPNED-UHFFFAOYSA-N 433.335 5.399 0 40 IKAB Fc1ccc([C@H]2Nc3ccccc3Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1 13097501 ZEFVFMBSLPLAHJ-AREMUKBSSA-N 432.502 6.937 0 40 IKAB COc1ccc([C@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 13127682 XIBHUKMMNDQESO-XMMPIXPASA-N 432.568 5.054 0 40 IKAB Cc1ccc(-n2c(SC[C@@H]3CN(CC(C)C)CCO3)nnc2-c2ccccc2)cc1C 13145868 CTGFEBZDJMGKFP-QHCPKHFHSA-N 436.625 5.000 0 40 IKAB COc1ccc(OCCSc2nn(-c3ccc(Cl)c(Cl)c3)c(=S)s2)cc1 13525622 HGFRLRFPZWLJCW-UHFFFAOYSA-N 445.418 6.150 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(Cl)cccc1Cl 13708446 SNBMOLVPJQQOBO-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 13981731 IUKLYQNSRIKACH-UHFFFAOYSA-N 428.513 5.407 0 40 IKAB O=C(Nc1nc(-c2ccccc2Cl)cs1)c1cnn(-c2ccccc2)c1C(F)(F)F 14706266 FMMLTHFEBRVYHX-UHFFFAOYSA-N 448.857 5.920 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccccc3F)c(OC)c2)cc1 16216601 OVYJSFKYJKOLRJ-UHFFFAOYSA-N 429.919 5.408 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(Cl)c(-c2nc3cc(C)cc(C)c3o2)c1 17100827 DCACINULBYVLCG-UHFFFAOYSA-N 436.895 6.035 0 40 IKAB CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCCN3C(=O)c3ccc(OC)s3)cc2N1 19520625 GGKSSLKACDCJPM-IVMMDQJWSA-N 442.507 5.018 0 40 IKAB COc1ccc(OCCc2sc([C@]3(O)CCCN(C4CCCCC4)CC3)nc2C)cc1 19705423 RTUBZMWOSXXHED-VWLOTQADSA-N 444.641 5.088 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccc(Br)cc4)o3)o2)cc1 19927948 DBERBEWVBMTDIV-UHFFFAOYSA-N 449.717 5.495 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)c(Cl)c2)cc1 20151651 JLJHOIIPCGBYDV-UHFFFAOYSA-N 428.941 5.343 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20152071 UQEZCYJCSAGRCV-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB CCc1c(C)nc2nc(-c3ccccc3)nn2c1Nc1ccc(Cl)c(C(F)(F)F)c1 20191280 LFWFMJCXSRXPQR-UHFFFAOYSA-N 431.849 6.078 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 20241809 HLDRAECNZAJJBR-UHFFFAOYSA-N 435.571 5.410 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1 20453322 FFTODNXVJWGITN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3c(C)noc3n2)c(C)o1 21970497 LJQOPZBKIQMSDZ-UHFFFAOYSA-N 429.520 5.503 0 40 IKAB CC(C)C[C@@H]1Oc2ccccc2[C@H]2OC(c3ccccc3)(c3ccccc3)c3ccccc3N12 22027415 KMNLGDPHNNPIAN-XZWHSSHBSA-N 447.578 7.279 0 40 IKAB O=C(Nc1cccc(CN2CCOCC2)c1)c1cccc(COc2ccc(Cl)cc2)c1 23379239 PMSYEUPZEVPOSR-UHFFFAOYSA-N 436.939 5.004 0 40 IKAB CC(C)CNC(=O)C1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)CC1 24973130 KACQMYBJVGECDV-UHFFFAOYSA-N 449.982 5.180 0 40 IKAB N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3sc4cc(Cl)ccc4c3Cl)cc2)S1 27024986 INPIDXCNVVNHDL-AUWJEWJLSA-N 449.340 5.566 0 40 IKAB Cc1nc(N2CCC(c3nnc(C(C)(C)C)o3)CC2)c2c(-c3cccs3)csc2n1 32936793 KLCMRUTXJYATJI-UHFFFAOYSA-N 439.610 5.793 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cccc3)c2)cc1COc1cccc(C)c1 36611237 QMFJAXNDUBBJIG-NRFANRHFSA-N 440.543 5.864 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834715 TXJSLHYGTYPOBI-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1ccc2c(Nc3ccc(Br)cc3C)c(C(=O)N3CCCCC3)cnc2n1 49004673 LQZDRBRGLUKIBU-UHFFFAOYSA-N 439.357 5.379 0 40 IKAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 58179686 JIGSEEZPKKUHQU-DEOSSOPVSA-N 431.923 5.396 0 40 IKAB Fc1ccc(-c2nnn3c2nc(NCc2ccc(C(F)(F)F)cc2)c2ccccc23)cc1 67261405 YDYQEZWJLLXOBA-UHFFFAOYSA-N 437.400 5.715 0 40 IKAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)cc1OC 72328464 PASNAYQOPYZOLZ-UHFFFAOYSA-N 439.943 5.144 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(Nc3nc(C)cs3)cc(C)n2)cc1 72372542 LRVITRPARYUEBK-QFIPXVFZSA-N 436.581 5.203 0 40 IKAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177389 XBRMMILTTGXFDU-CYBMUJFWSA-N 435.446 5.383 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5)cc34)cs2)cc1 96154447 ZUHIUHRBRFLCJM-UHFFFAOYSA-N 428.473 5.274 0 40 IKAB CN(Cc1ccc(OC(F)F)cc1)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102377625 XEAFDHABQANQMN-AJHHTPGJSA-N 442.344 5.370 0 40 IKAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)N(C)Cc5ccc(OC)c(OC)c5)(C4)C2)C3)cc1 103558859 UKAZGWFTJAHORV-QHSPCKSISA-N 449.591 5.209 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(F)cc3)c2C)cc1 139139647 JJDOSFSNMQMYRY-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB COc1ccc(SCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 216380938 LWBYFVRGLHRTOR-UHFFFAOYSA-N 448.588 5.976 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Br)cc3)c2)cc1 216403731 YRYQAHFWZKYNAN-UHFFFAOYSA-N 436.349 6.230 0 40 IKAB C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1)c1ccc(C(C)(C)C)cc1 220005955 HJEMPUUTIBBGOK-LJQANCHMSA-N 442.625 5.040 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 222932470 YJFCMSAIJCKUKJ-IBGZPJMESA-N 448.588 5.166 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 222986066 JLHATVNGABATNI-FCHUYYIVSA-N 425.985 6.076 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2c(C)cc(C)cc2C)cc1 223639901 XWVBYUZBNOTPPU-UHFFFAOYSA-N 431.941 5.867 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 223713136 IEEOLLOGDJPFEC-QFIPXVFZSA-N 429.004 5.037 0 40 IKAB Cc1ccccc1CN(C(=O)CSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCC1 223757848 WBYRXLUERZZWHP-SFHVURJKSA-N 445.028 5.217 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCCC1 223854300 MEQJGGIGYYZUGV-LOSJGSFVSA-N 446.620 5.888 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1C 224016207 VTWREUJXLLCJBZ-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 224065118 BLULPUBQWFEYNN-DEOSSOPVSA-N 440.653 5.076 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 224233696 DINWRPYPQGKIBU-IBGZPJMESA-N 445.003 5.032 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 224668342 QWUAIQRLBJWPMS-QFIPXVFZSA-N 447.044 5.402 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1 224758220 ROKLKHGTBPMWGY-SFHVURJKSA-N 444.978 5.196 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)s1 224918406 OMTXAPCWESOWEA-RBUKOAKNSA-N 444.423 5.700 0 40 IKAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 225327734 RYYBRKANIPDKPT-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225333539 MJYWEYOQDGMUMJ-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB COc1ccc(NC(=O)Cc2ccc(-c3csc(-c4ccncc4)n3)cc2)cc1Cl 225339308 SAYWCQCJCKIXHY-UHFFFAOYSA-N 435.936 5.715 0 40 IKAB COC(=O)c1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1C 225364991 FUHAMGUDAMLUIE-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB COC(C)(C)CCOc1ccc(NC(=O)C2(c3ccccc3F)CCCCC2)cc1Cl 225546904 UVOFOFHVFISYAV-UHFFFAOYSA-N 447.978 6.514 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225606219 XDZDJOGFYSPEBW-MBSDFSHPSA-N 445.003 5.003 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)CC(C)(C)O2 225674544 WLCJXTMMIKBADB-INIZCTEOSA-N 439.806 6.000 0 40 IKAB CC(C)CC[C@]1(C)Oc2c(F)cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@@H]21 257234836 GVHFTOGVIIFKFK-PLFZTWNISA-N 447.591 6.116 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 408563315 LGNAVPZOSHZYLB-SANMLTNESA-N 446.572 5.500 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(Cl)cc2)C1=O 408600123 UXISXCHIURNZQR-YBFXNURJSA-N 444.940 5.050 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)c(C)c2)cc1C 408605495 KLJDINYCLJMMPL-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(O)/C(=C/c1ccccc1OCc1ccccc1Cl)Sc1nc2ccccc2[nH]1 408634823 VDNHJCCISWSWEK-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c1 408698810 PSZVZMSMIMMPGB-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1OC(=O)c1ccc(Cl)cc1 408840319 AMUICTBFQJEXST-XSFVSMFZSA-N 447.874 5.302 0 40 IKAB CCc1ccc(C2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@@](O)(C(F)(F)F)C2)cc1 409102365 SHPYKVREGLOKMN-DEOSSOPVSA-N 438.449 5.417 0 40 IKAB CCc1ccccc1NCc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12 409122587 ZZOMOCGJHHYCGC-UHFFFAOYSA-N 436.382 7.900 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O 409132410 ZRRPQTDZECOKRH-ULJHMMPZSA-N 448.588 6.255 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)cc2)sc2c1CCCC2 409132432 OMCFAYKWWKBLLJ-UHFFFAOYSA-N 437.586 5.958 0 40 IKAB O=C(Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S)Nc1ccc2ccccc2c1 409163311 PLXAQOSRQMFCBR-UHFFFAOYSA-N 445.544 5.455 0 40 IKAB S=C(c1cn(CCOc2ccc(Cl)cc2)c2ccccc12)N1CCc2ccccc2C1 409201055 USEHPAHUDJAEGQ-UHFFFAOYSA-N 447.003 6.108 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CC[C@H]1CCCO1 643582066 KCAQWSOYCBPKRR-BJKOFHAPSA-N 436.596 5.394 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 865994 KYXZGKZXZOKMIX-SFTDATJTSA-N 436.437 5.949 0 40 IKAB Cc1nc(C)c(C(=O)N(Cc2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)s1 1367155 CLHVARXFAWPZRT-QHCPKHFHSA-N 447.604 5.202 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 1391120 DAFVTDAYSLHTTD-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)C[C@H](C(C)C)OC3 1760723 WHFQAMRGDHEMGN-LJQANCHMSA-N 442.650 6.135 0 40 IKAB Cc1oc2cc(OCc3ccccc3)ccc2c(=O)c1Oc1ccccc1Br 2408298 QXAMIKAOALDUNK-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB biogenic O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccc(Cl)cc1Cl 2448377 DLXNEPZDCJUPSF-UHFFFAOYSA-N 425.267 5.910 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NCCc1ccc(Cl)cc1 2646853 OJIGZOHDSZVWIQ-UHFFFAOYSA-N 448.975 6.113 0 40 IKAB O=C1CN(C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 2685920 ZMGDTOSRMXOYPC-OAQYLSRUSA-N 445.733 5.831 0 40 IKAB CCCN(C(=O)c1ccc2ccccc2n1)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 3147005 WUEUSYMCZKWMOK-UHFFFAOYSA-N 443.591 6.045 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1c(Cl)cccc1Cl 3233595 PDHQEWONRBMQLN-UHFFFAOYSA-N 430.356 6.730 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1OC 3399656 RIVWCCYBUWNCCN-UHFFFAOYSA-N 445.446 5.098 0 40 IKAB CC1=C(CC[C@H](C)CNCc2ccc(OCCCN3CCCCC3)cc2)C(C)(C)CCC1 4683518 DJXWAVCRKORMMK-DEOSSOPVSA-N 440.716 6.974 0 40 IKAB Cc1nnc(SCC(=O)Nc2cc(Cl)ccc2Cl)n1-c1cccc(Cl)c1 6444316 BDKDRJGJAOJHJV-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB O=C(Nc1sc2c(c1C(=O)c1ccc(Br)cc1)CCCC2)c1cccs1 8445908 AMZWRWHAAQZKDW-UHFFFAOYSA-N 446.391 5.934 0 40 IKAB Cc1ccc(C2(c3ccc(C)cc3)O[C@H](c3ccccc3Cl)Nc3ccccc32)cc1 8816248 ZAWHAXHDACTFES-HHHXNRCGSA-N 425.959 7.390 0 40 IKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1 8904064 PBRXSFDXNJZJFO-UHFFFAOYSA-N 448.371 6.950 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2ccsc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 9089136 COHPOYDSHRYTHU-KSFYIVLOSA-N 431.517 5.577 0 40 IKAB Cc1ccc(NC(=O)Nc2nnc(-c3ccccc3SCc3ccccc3)s2)cc1C 9170327 INLNQASJUWNKBC-UHFFFAOYSA-N 446.601 6.758 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1Cc1ccccc1 9323947 CUVILVOAEBKWTM-LDADJPATSA-N 426.950 5.646 0 40 IKAB Cc1cccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c1C 9369283 BKOXROIMZMOKBE-UHFFFAOYSA-N 433.602 6.355 0 40 IKAB COCCCn1c(S[C@@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 9500485 UOSOBZAVOXENPJ-HNNXBMFYSA-N 445.972 5.007 0 40 IKAB CCc1ccccc1-n1nc(-c2ccccc2)c2cnc3ccc(Br)cc3c21 9675966 BWULBBISFPKRHA-UHFFFAOYSA-N 428.333 6.566 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1)c1ccco1 9724435 DQPAHKLNWGNUEG-QGZVFWFLSA-N 431.517 5.161 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 9867829 MGIBHOQSTIRQLE-GFCCVEGCSA-N 433.327 5.261 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)cc1 12160684 CKRQYAJBMKDSML-SXLOBPIMSA-N 448.533 5.084 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 12285222 WHDCWXDYGBQFQI-LPUCNNDASA-N 436.511 5.822 0 40 IKAB C[C@@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)cc1Cl 12569376 GCPUHGZRUZJVGW-SNVBAGLBSA-N 425.963 5.575 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3ccccc3Cc3ccccc3)n2)cc1 12681757 DGZMVPMOUBRBNA-UHFFFAOYSA-N 441.556 5.289 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccccc1N1CCCCCC1 12877184 JWVZFTGMXJQUKT-UHFFFAOYSA-N 448.636 5.495 0 40 IKAB Cc1cccc(-c2nnc(S)n2CC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 12909316 YYYMCNFSCXQZHS-UHFFFAOYSA-N 449.605 5.230 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 13057750 CAPNGEUGVDXCOF-UHFFFAOYSA-N 434.970 5.312 0 40 IKAB C[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(CSc2nc3ccccc3s2)cc1 13073015 JUEUCSFEIBNRPG-MRXNPFEDSA-N 440.590 5.146 0 40 IKAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 13102442 LICFELCERKBIIM-UHFFFAOYSA-N 447.541 5.312 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)cc1 13108826 HSHXDXDCZGHIRY-LJQANCHMSA-N 440.543 5.957 0 40 IKAB CCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 13303749 GDKBUQQZRLFZJM-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB Cc1ccc(C(=O)N2CCCc3ccccc32)cc1S(=O)(=O)Nc1cccc(C)c1C 13632603 CBNLFSIDVMWVGX-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccc(-c2cc(Cl)ccc2Cl)o1 13748527 WSMXMJCTVDPPQB-UHFFFAOYSA-N 449.403 5.827 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1cccc(C)c1 13928118 OTFWNRHBHWZXHY-HMAPJEAMSA-N 431.463 5.456 0 40 IKAB CCCC(CCC)C(=O)Nc1sc2c(c1C(=O)OCC)CCN(Cc1ccccc1)C2 14162697 IIPWKNQKJFUDJB-UHFFFAOYSA-N 442.625 5.638 0 40 IKAB Cc1ccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1Br 16311807 NEQFJGDXGPJHCD-NRFANRHFSA-N 443.724 6.192 0 40 IKAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F 16688748 WEEAJRVDMBPJNT-UHFFFAOYSA-N 431.910 5.928 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1ccccc1F 16789179 HNSPEBBRMWMMEQ-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)c(O)c2)cc1 17098541 NRVUOXOXRRGSSP-UHFFFAOYSA-N 433.558 5.358 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1nc(-c2ccc(Br)cc2)cs1 17103122 XZIZGKMHJBLHPF-UHFFFAOYSA-N 439.334 5.743 0 40 IKAB CCOc1ccc(N(Cc2nnc3n2CCCCC3)C(=O)Nc2ccccc2Cl)cc1 17307671 QZXUVJXPRFDYNC-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2C)c1 19638924 BNVUFBWMIXIXIF-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)o1 19690318 YNVKIOLUCYRAKY-LJQANCHMSA-N 443.469 5.316 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccccc2Cl)ncc1C(=O)Nc1ccccc1F 19764763 UCJBMWHRNVLVKB-JOCHJYFZSA-N 438.934 5.557 0 40 IKAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)nnc2c(-c3cccc4ccccc34)cnn12 19817181 XCHRLKWSTCXNAT-UHFFFAOYSA-N 447.420 5.524 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3ccccc3[nH]2)c2ccccc2)cc1 19926642 GIDZAFFYDVGKOJ-OAQYLSRUSA-N 431.517 5.212 0 40 IKAB Cc1nc2sc([C@H](c3ccc(Cl)c(Cl)c3)N3CCc4ccccc4C3)c(O)n2n1 22627443 HCQHBQYRSUVCBI-SFHVURJKSA-N 445.375 5.259 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccc(SCc3cc(=O)n4oc(C)cc4n3)cc2)c1 41089714 VTSKPMDWUULXGP-UHFFFAOYSA-N 434.521 5.149 0 40 IKAB COc1cc([C@H](C)NC(=O)c2cc3c(F)cccc3s2)ccc1OCc1ccncc1 59316069 RJQXXUNBDBZQNK-HNNXBMFYSA-N 436.508 5.514 0 40 IKAB Cc1[nH]c2ccccc2c1CSc1nnc(COc2ccccc2)n1-c1ccccc1 59417507 KCPADBLOTDINBC-UHFFFAOYSA-N 426.545 5.928 0 40 IKAB Cc1ccc(C(=O)Oc2cc(C)c(NC3=NS(=O)(=O)c4ccccc43)cc2C(C)C)cc1 59488065 JPRMKHYOSXFYKJ-UHFFFAOYSA-N 448.544 5.207 0 40 IKAB Cc1ccccc1-n1ncc(C(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)c1C 72306551 PLTIAKKRTYMTRV-DEOSSOPVSA-N 427.552 5.397 0 40 IKAB CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@@H]3CCCO3)CC2)n1 100152714 PINXLDWUMIWHGJ-HBMCJLEFSA-N 436.600 5.011 0 40 IKAB O=c1nc2n(nc1-c1ccc(F)cc1)[C@@H](c1cccc(Cl)c1Cl)Nc1ccccc1-2 101459252 GGBIKIVOKMALBV-NRFANRHFSA-N 439.277 5.391 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2n1 101567067 YSZKCWIBVNWOTP-VAWZGJIGSA-N 428.576 6.244 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN([C@H](C)CCc4ccco4)C3=N)n2)cc1OC 102724371 VAPAQSUREMNFPB-CQSZACIVSA-N 439.537 5.004 0 40 IKAB Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(C(C)(C)C)cc3)N(c3ccccc3)O[C@H]2C1=O 102749025 LNTRJTHXPKASLK-ISJGIBHGSA-N 440.543 5.344 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106732540 WGRPOHYBNIDOJG-VCRXTVNUSA-N 446.366 5.863 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3Cl)[C@@H]2C(=O)N1c1ccccc1 170591313 JSOJSWOILFOYBD-ACRUOGEOSA-N 439.298 5.045 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214802669 DSLZQJIJWBQIIE-OTGIAGGSSA-N 436.360 6.407 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 216248960 NMXZESLRNBLQEJ-HHHXNRCGSA-N 441.958 6.747 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cc2Cl)S1 222600351 GGPAICZCBMEQKF-GBLZOACLSA-N 429.376 5.768 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ncc(Cl)cc1Cl 223994860 JUJXBFHEADPFGR-UHFFFAOYSA-N 428.816 6.230 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccc(C)cc1 224466820 IPPHUHQNTYNENS-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(Cl)cc1 224500313 VMQVADZJEDITHP-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2ccc(Br)cc2)CC1 224548416 GWESDXWALJZITQ-UHFFFAOYSA-N 449.392 5.552 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc[nH]2)cc1 224659238 QPHSIOQDOVYLMT-ZEQRLZLVSA-N 426.545 5.688 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224675663 NLECBIAIRHAJMZ-NRFANRHFSA-N 436.596 5.055 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NC3(c4ccco4)CCCC3)c2)cc1 225865909 ABJDSTXECVDPDU-UHFFFAOYSA-N 446.616 6.564 0 40 IKAB O=C(OC12CC3CC(CC(C3)C1)C2)c1ccc(Cl)c(-c2cc3ccccc3oc2=O)c1 226357960 CTHGCGCPVYOFED-UHFFFAOYSA-N 434.919 6.239 0 40 IKAB O=C(COc1ccccc1/C=C1\C(=O)Nc2ccccc21)Nc1ccc(Cl)c(Cl)c1 408552847 KSNNOQNZGZTDNH-BOPFTXTBSA-N 439.298 5.504 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408621470 ODVLEUNXNFSQJL-UHFFFAOYSA-N 440.638 5.781 0 40 IKAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3cccc(C)c3C)cc2)CC1=O 408638935 DPZVQDFGTJRDLB-OAQYLSRUSA-N 428.532 5.650 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3cccc(NC(=O)c4ccc(N)cc4)c3)cc2)cc1 408668842 FMMNQSHMIOYUCG-UHFFFAOYSA-N 437.499 5.874 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1c(C)cccc1C(C)C 408701130 RYHUOBNOFMGCLT-UHFFFAOYSA-N 428.598 5.244 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(F)cc2)cc1)S(=O)(=O)c1ccc(SC)cc1 408703544 SJPRSTFUPGSRDM-UHFFFAOYSA-N 444.553 5.015 0 40 IKAB CCOc1cc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)ccc1OCc1ccccc1 409037648 UECKOUIXHBRCSR-JWGURIENSA-N 444.556 5.269 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3OC)C2=O)ccc1OCC(C)C 409061441 ZXJJUNKPSUJSTJ-BKUYFWCQSA-N 427.522 5.370 0 40 IKAB COC(=O)[C@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409104626 GBXYKOOKJORSHX-SITPEIFSSA-N 447.512 5.017 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)ccc1OS(=O)(=O)c1ccc(C)cc1 409112533 DFLNZIFGDCWGEF-UHFFFAOYSA-N 425.550 5.390 0 40 IKAB CCOc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1cccc(F)c1 409121624 ZANVCOUUAZIELP-IWIPYMOSSA-N 445.534 6.347 0 40 IKAB Cc1ccccc1N(CC(=O)Nc1cc(Cl)ccc1Cl)S(=O)(=O)c1ccccc1 409247089 BDTDQSHAIVWVDI-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCN(CC)CCCNC(=O)C1(Cc2cccc(-c3cc(C)cc(C)c3)c2)CCOCC1 585169162 BGUANLHTFBTKOF-UHFFFAOYSA-N 436.640 5.158 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(C(=O)CCC3CCCC3)CC2)C1 643570374 BZHNADGSHSMPSK-UHFFFAOYSA-N 426.645 5.303 0 40 IKAB Cc1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)cc1F 643576527 OXRMBPMKLIWCFC-UHFFFAOYSA-N 431.555 5.897 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(OCC)cc3)c2)cc1 1006657 SJOAPLTZVVSPOQ-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccco1)C(=O)c1cccs1 1333476 KXCITJKDCVRPMN-QFIPXVFZSA-N 440.540 5.313 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(-c4csc(NC(=O)C5CCCC5)n4)ccc32)cc1 1354676 MGXMIOYFUGBKMM-UHFFFAOYSA-N 431.561 5.450 0 40 IKAB COc1ccc(NC(=S)N(CCc2nc3cc(C)c(C)cc3[nH]2)Cc2cccnc2)cc1 1360837 DPENLASUQFVBGY-UHFFFAOYSA-N 445.592 5.025 0 40 IKAB CC1=C(C(=O)OC2CCCCCC2)[C@@H](c2ccc(OCc3ccccc3)cc2)NC(=O)N1 1508718 BFRLHYLKJMAIOY-XMMPIXPASA-N 434.536 5.160 0 40 IKAB Cn1cc(Cc2ccc(-c3ccccc3)cc2)c(=O)c(Cc2ccc(-c3ccccc3)cc2)c1 1626849 BKYMWEZMONFPMN-UHFFFAOYSA-N 441.574 6.901 0 40 IKAB CCO[P@@](=O)(SCC)SCc1nc(OCc2cccc(C(F)(F)F)c2)no1 2154319 MVTFLPGZVZTBFU-VWLOTQADSA-N 442.421 5.798 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 2272051 YJPNURDNYGQFMO-QGZVFWFLSA-N 440.678 6.799 0 40 IKAB CCOc1cccc2cc(-c3nc(-c4ccc(Br)cc4)cs3)c(=O)oc12 2275369 ONUONKRWRKGPJS-UHFFFAOYSA-N 428.307 5.745 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)cc1 2342120 XXEZJQRDEMAYMC-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB CCCCc1nc2sc3c(NC4CCCCC4)nc(SC)nc3c2c2c1CCC2 2400612 ZSYKRYIJEOSXCH-UHFFFAOYSA-N 426.655 6.537 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nnc2-c2ccc(C)cc2)cc1 2443428 QNELUXRNMFNTPK-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCOc1ccccc1Nc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 2714627 UWCBHTCVDLHSJJ-UHFFFAOYSA-N 440.934 6.883 0 40 IKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1CCCCC1 3254447 NHSJQZDZBOYYPE-LJQANCHMSA-N 439.861 6.162 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2ncc(Cl)cc2Cl)c1CC 3294863 HCVRCDLYAOIUKT-UHFFFAOYSA-N 446.334 5.247 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3c(C)[nH]c4ccccc34)n2CC(C)C)cc1 3297686 QTVUCHNPYHYPRP-UHFFFAOYSA-N 434.565 5.374 0 40 IKAB CSc1nc2ccc(N[C@@H](C)C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2s1 3342657 CWITVYODTCJNLX-HNNXBMFYSA-N 435.574 6.250 0 40 IKAB CC1=C2C[C@@H]3[C@@H](CN4CC=C(c5ccc(Cl)cc5)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 4085515 FKEAUJZKSIRFAS-HLMLHLEXSA-N 426.000 5.887 0 40 IKAB biogenic Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)c1 4122972 DEAGUWNHKCCJQA-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB c1ccc(C2=N[C@@](CCN3CCCCC3)(c3ccccc3)S[C@@H]2CN2CCCCC2)cc1 5496352 SMXZOBMDDWDWME-IXCJQBJRSA-N 447.692 5.806 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)cc2c1 6197681 DCTYMGKOXLQYLW-LJQANCHMSA-N 447.648 5.861 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@](=O)c1ccc(Cl)c(Cl)c1 8857020 NOUGAEKQDCROGD-MUUNZHRXSA-N 429.324 6.278 0 40 IKAB O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3o2)c1)c1ccc(F)cc1Cl 9009315 PHLQBKBVJCHPBU-UHFFFAOYSA-N 441.871 5.120 0 40 IKAB COc1ccccc1NC(=O)[C@H](C)Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9125263 SDQBPWDRCKYBBM-KRWDZBQOSA-N 442.544 5.334 0 40 IKAB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc([C@H]2CC2(Cl)Cl)cc1 9145290 NLRWDTFMLMUZTF-QGZVFWFLSA-N 432.376 5.042 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9309074 WPHFTWLHLOSSSL-UHFFFAOYSA-N 448.035 7.486 0 40 IKAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(Cl)cc1 9459456 KKLHEYRTIBRJLH-MUAVYFROSA-N 428.900 6.157 0 40 IKAB Cn1c(SCC(=O)N[C@@H]2CCCc3ccccc32)nnc1-c1ccc(C(C)(C)C)cc1 9493237 UCZZVORUFAWSBY-OAQYLSRUSA-N 434.609 5.066 0 40 IKAB COc1cc(CSc2nnc(C3CC3)n2-c2ccccc2)c(OC)cc1Br 9672672 KVRGWRXANSXOLQ-UHFFFAOYSA-N 446.370 5.217 0 40 IKAB CCCCN1C(=O)[C@](O)(CC(=O)c2ccc(CCC)cc2)c2cc(Br)ccc21 10058814 YZGOMKMLZGLBJS-QHCPKHFHSA-N 444.369 5.009 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2C)c1 10112461 AGFISTLZPGMQCK-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1Cl 10120336 MDQKHSGKRDONJP-UHFFFAOYSA-N 434.923 6.094 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4ccc(C(C)C)cc4)cc3)oc2cc1C 10120438 DISUDFUVJPJVPG-UHFFFAOYSA-N 428.532 5.930 0 40 IKAB C[C@@H](NC(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1)C12CC3CC(CC(C3)C1)C2 10128945 WZONQIFPLDLBFQ-LREROPASSA-N 427.544 5.795 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 10233182 WKVICGGDPROIQZ-FQEVSTJZSA-N 432.501 5.015 0 40 IKAB CCOc1ccc(-c2ccc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nn2)cc1 12140472 DHTGLMWPJFDVJX-UHFFFAOYSA-N 434.348 5.580 0 40 IKAB CC(C)(C)c1ccc(OCCC(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 12565281 BPGNYFRFENXYPX-UHFFFAOYSA-N 432.568 5.377 0 40 IKAB CC[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)Nc1ccc(F)cc1 12722889 WUCBWSYGEMCAOG-AWEZNQCLSA-N 447.944 6.253 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)c1 13025666 MXDJGNLOZICRBW-RUZDIDTESA-N 448.538 5.212 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(N(c3ccccc3)C(C)C)cc2)cc1OCC 13096478 IWFWAZWCHLGXSD-UHFFFAOYSA-N 446.591 7.063 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc1 13118104 HLENGOXMRCTWPN-MRXNPFEDSA-N 435.549 5.242 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13498420 FKWGVGKCZFPIMM-VWLOTQADSA-N 432.589 5.432 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@@H]1C 13592292 SHRGQDIZFCHWSK-NBGIEHNGSA-N 428.532 5.375 0 40 IKAB CCC1=NN(c2ccccc2)[C@]2(SC(C(=O)OC)=NN2c2ccccc2)c2ccccc21 13659280 SUVCFNMHHDLBDH-RUZDIDTESA-N 442.544 5.171 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccccc1CCc1ccccc1 13688371 YWIHLACTZSOYQO-UHFFFAOYSA-N 427.931 7.170 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccccc4Cl)c3)oc2c1 13946095 WLIACCSKSKHAQM-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 14272598 NTAKTIRUHGYWAQ-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cs1 14778838 QGRSIDUVSFJHHK-AWEZNQCLSA-N 434.483 5.648 0 40 IKAB COc1ccc(C(=O)Oc2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@H](C)C5)N3)cc2)cc1 15947850 VAJRHDYJZWCOPC-FPTDNZKUSA-N 448.544 5.530 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C)nc2sc3c(c12)CCCC3 16363301 WUZUHAVPQUVRFD-UHFFFAOYSA-N 433.986 5.271 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 17095964 MYVOZSDRZVKLCR-GOSISDBHSA-N 428.532 6.588 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)cc1 17096604 IUEIRNLJPDBWMZ-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)COc2c(Cl)c(C)c(Cl)c(C)c2Cl)cc1 17096670 XCTSCYDSTINRDO-UHFFFAOYSA-N 429.731 5.630 0 40 IKAB Cc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1Cl 17099847 ZSTISKPIYXOINB-UHFFFAOYSA-N 435.936 5.261 0 40 IKAB Cc1ccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2)cc1C 18121966 MXYMZYRTKYEMQT-UHFFFAOYSA-N 446.572 5.605 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC(c4cc5nc(C(F)(F)F)ccc5[nH]4)CC3)cc12 19236667 QGYLHFMNEOTJSU-UHFFFAOYSA-N 426.442 5.391 0 40 IKAB CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 19450606 JGLPXZVMZOABEA-OAQYLSRUSA-N 429.630 5.046 0 40 IKAB CCc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)O)c(C(=O)OC)c1-c1ccccc1 19634344 ZVWKPWOUKWZEGX-IAGOWNOFSA-N 441.549 5.150 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(Cc3ccccc3)CC2)c(C(C)C)c1 19866052 PMNAVYFDXJEKIN-UHFFFAOYSA-N 442.669 5.563 0 40 IKAB c1ccc(CN(Cc2cccs2)[C@@H](c2cccs2)c2nnnn2C2CCCC2)cc1 20098746 YIQKXVVJKRXCDK-QFIPXVFZSA-N 435.622 5.703 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1cccc(OCc2ccccc2)c1 20144969 FQVJJALSFVMMIV-UHFFFAOYSA-N 433.891 5.924 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1Cl 20152327 FUBUFRIYOZZVPJ-UHFFFAOYSA-N 435.332 5.181 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc(F)cc3)cc2Cl)cc1 20456190 HZUJXUSKKHLYKA-OAHLLOKOSA-N 446.931 5.079 0 40 IKAB CCn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c(=O)c2cc(Cl)ccc21 22234901 OGUXYAIQLFUYJX-UHFFFAOYSA-N 432.907 5.506 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nc3ccccc3c2=O)c1 27525922 QJZMTBFETUJNIO-UHFFFAOYSA-N 429.545 5.042 0 40 IKAB O=C(Cn1cnc2c(oc3ccccc32)c1=O)Nc1ccccc1SCc1ccsc1 27821808 PLYBGOZRIMNCJK-UHFFFAOYSA-N 447.541 5.135 0 40 IKAB O=C1CN(C(=O)c2ccccc2C(F)(F)F)[C@H](c2ccccc2)c2ccc(Cl)cc2N1 28047926 ITLNPYRGZYHRFD-OAQYLSRUSA-N 444.840 5.543 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)CC(C)C)cc3s2)c1 33000792 PFWNFUOWZXVNHA-UHFFFAOYSA-N 427.595 5.629 0 40 IKAB CC(C)c1nc2ccccc2c2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n12 35314742 ZWNHBCFKHQVGOI-UHFFFAOYSA-N 445.470 5.151 0 40 IKAB CCc1cc(C(=O)Nc2ccc(C)cc2C)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621716 IWECGQQIASVUFT-UHFFFAOYSA-N 428.511 5.869 0 40 IKAB COc1ccc(CCNC(=O)c2scc(-c3ccc(C)cc3)c2-n2cccc2)cc1OC 38486830 MTCWEOZYEPAGMS-UHFFFAOYSA-N 446.572 5.504 0 40 IKAB COc1ccccc1NC(=O)c1ccc(-n2nc(C(F)(F)F)cc2-c2cccs2)cc1 39852334 URAXGKIMOWZHKQ-UHFFFAOYSA-N 443.450 5.881 0 40 IKAB Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 40150033 MGXPEBWNFURLRW-GOTSBHOMSA-N 446.555 5.389 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(C)c3C)cc2Cl)cc1 44841306 REYFEHZXHSJULQ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 48290963 XSKNEDRFYCKZQJ-KRWDZBQOSA-N 441.988 5.067 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCC(C)C)cc1 57472538 LXUSSCBUJZMOQA-UHFFFAOYSA-N 437.609 5.516 0 40 IKAB CCN1c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2-c2ccccc2S1(=O)=O 65315065 LVLZZVHWSSJEJY-UHFFFAOYSA-N 426.925 5.096 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72356089 WZVSOTZBQCZIAD-NRFANRHFSA-N 439.481 5.414 0 40 IKAB COc1cccc(CC(=O)N2CCC[C@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 72370056 KEZRDRVFUUPJDG-QFIPXVFZSA-N 430.548 5.023 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc(-c2cn(-c3nccs3)c(C)n2)n2ccccc12 96037937 JPTQCIQVAHJVTJ-UHFFFAOYSA-N 441.560 5.219 0 40 IKAB CCOc1cc(/C=C2/CN(CC)Cc3c2nc2ccccc2c3C(=O)O)cc(Cl)c1O 96767624 RVKAGCFQDIMXML-DHDCSXOGSA-N 438.911 5.067 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccc(C)cc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 100427124 GJOLVIJGYYPNSF-PPHZAIPVSA-N 428.507 6.772 0 40 IKAB Cc1c(C)c2c(c(C)c1O)[C@H](C)[C@](C)(CCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 101314628 PMIMOLIQGNWOJE-SOCHWWIRSA-N 430.717 9.011 0 40 IKAB in-vitro CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2ccccc2Nc2ccc(SC(F)F)cc2)C1 102134100 FZSVQUBTVWJLLI-BXKMTCNYSA-N 430.564 6.786 0 40 IKAB O=C1S/C(=C\c2ccc(Cl)c(Cl)c2)C(=O)N1Cc1ccc(Br)cc1 106721946 QSWLKECUXOCXOE-NVNXTCNLSA-N 443.149 5.992 0 40 IKAB C[C@H](/C=C\C(=O)N(c1ccccc1)c1ccccc1)OC(=O)/C=C/C1=CCC[C@H]([N+](=O)[O-])C1 200637371 SIMVMXGCKDDNNL-KRGKWRRWSA-N 446.503 5.151 0 40 IKAB CC[C@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547668 GIJPTNDPXSOYLT-DENIHFKCSA-N 444.641 5.023 0 40 IKAB Cc1ccccc1CN(C(=O)COc1ccccc1C(C)(C)C)[C@H](C)C(=O)NC(C)(C)C 222709765 GHQZKHVPIYOWJQ-HXUWFJFHSA-N 438.612 5.003 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223072670 MDCDMFNNWRBNMQ-VQTJNVASSA-N 443.031 5.728 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 223225390 LMNBPYGDVUFIJN-NRFANRHFSA-N 447.044 5.463 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc1Cl 224159987 GCNIADIHUSSDQL-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224332233 LTZFZDWOZYVCEP-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1OC 224576528 RKHHXWXYQJQLIH-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1CSc1ccc(Cl)cc1 224676281 NNMSTEMOVRUOEY-UHFFFAOYSA-N 444.021 7.005 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224894473 GQMWVMSPPPPPGJ-UHFFFAOYSA-N 446.506 6.840 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)ccc1F 224895028 WKOYWQRHAKSBLQ-GOTSBHOMSA-N 432.524 5.149 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccccc3Cl)o2)cc1 224916063 FNZCPVBACJERIY-UHFFFAOYSA-N 432.907 5.991 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 225149880 DQUNECQOMKQFMB-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@H](CC(=O)O)c1ccc(Cl)cc1 225224054 ZBENFNQXXNSSLJ-OAHLLOKOSA-N 441.778 5.222 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 225612907 WFGVFSYUGSMBDR-HRAATJIYSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225613814 UELFGPTWAXTCJO-AUSIDOKSSA-N 429.004 5.221 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 257230149 GBAVOQNWKYELSU-HSZRJFAPSA-N 436.555 5.084 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257231372 GGKMRIIAWFEWDT-NRFANRHFSA-N 435.430 5.176 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H](Cc2cccc3ccncc23)CC1 257270251 MTILAVRQORUMKU-FQEVSTJZSA-N 437.547 5.253 0 40 IKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(Cl)c1OCc1ccc(C)cc1 408554615 SFZNWACUFNAZSX-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)c1C 408640237 IDRRPRQXLYLZJD-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1ccc(Cn2cc(/C=C3/NC(=O)N(Cc4cccc(C)c4)C3=O)c3ccccc32)cc1 409254360 WYBRGMSHWCETPY-MFKUBSTISA-N 435.527 5.399 0 40 IKAB CCOC(=O)[C@H](CC(Nc1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1 1714238 CGYFHJBIYNUOCE-MUUNZHRXSA-N 435.567 6.779 0 40 IKAB CSc1nc2c(c(=O)n1Cc1ccccc1)[C@](C)(C1CCCCC1)Cc1ccccc1-2 1883600 DTCOUGVHEKAOKS-MHZLTWQESA-N 430.617 6.075 0 40 IKAB COc1ccc2c(c1)N(C(=O)c1cccc(Cl)c1)C(C)(C)c1ssc(=S)c1-2 2070744 XOPUBVXNNIWIMP-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB CN(C)c1ccc(-c2nnc(-c3cc(-c4ccc(Cl)cc4)nc4ccccc34)o2)cc1 2072355 ZDGXOZUYPPDOLN-UHFFFAOYSA-N 426.907 6.338 0 40 IKAB COCCNC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccc(Br)cc12 2108205 HESUUBCOQIXFMM-UHFFFAOYSA-N 441.369 5.338 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1 2219194 LSUPKRMMKWRUBH-UHFFFAOYSA-N 433.508 5.269 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2418470 YJXKHCHYMFWOOL-RDPSFJRHSA-N 431.532 5.257 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(F)cc3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 2436453 YSPUIRYOJVHEIY-UHFFFAOYSA-N 441.506 5.525 0 40 IKAB CCOC(=O)[C@H](Oc1ccc2cc(-c3ccc(Cl)cc3)c(=O)oc2c1)c1ccccc1 2552321 CJPAHMUGIZQTJL-HSZRJFAPSA-N 434.875 5.797 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C)cc4C)cc3n2)cc1 2593133 LUHVGQNWGXUDBX-UHFFFAOYSA-N 432.955 6.286 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)CCC(=O)c2cccs2)c2ccccc21 2617111 YHQPDHDUZMWSSW-UHFFFAOYSA-N 431.513 5.296 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1c[nH]c2ccccc12 2620484 BCLWMKZIPCYUOB-XMMPIXPASA-N 445.950 5.041 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Br)cc3F)c2C)cc1 2737388 ISFIBYKNBZSQMZ-UHFFFAOYSA-N 449.323 6.673 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1sccc1SCc1ccc(Cl)cc1Cl 3128641 HHJVZANMHTXCLB-UHFFFAOYSA-N 428.793 7.253 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1Br 3182372 WLCRHGVJLHAQTG-UHFFFAOYSA-N 434.384 5.063 0 40 IKAB O=C(O[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1c(F)cccc1F 3314784 RNUOWXOTPTZPPP-IBGZPJMESA-N 435.348 5.520 0 40 IKAB Cc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1-c1ccccc1 3416374 NOESVSYOZZKXNE-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NCCC(c1ccccc1)c1ccccc1 3427571 HKNDKIPRKSPUPI-HHHXNRCGSA-N 442.603 5.478 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4811819 NDKACQGBXQYWOY-XTEPFMGCSA-N 426.560 6.888 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCCC1 6135484 FYUGUZOHLDPVKS-UHFFFAOYSA-N 447.648 6.239 0 40 IKAB Cc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1C 8762519 MKYQIWGSMXQQEW-GOSISDBHSA-N 429.545 6.140 0 40 IKAB O=C(NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccc(Cl)c(Cl)c1 9063972 OOZDCHDUFLBPNV-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB Cc1c(Cl)cccc1-n1c(SCc2c[nH]c3ccccc23)nnc1-c1ccncc1 9222101 AQLZPHXIVBIEAV-UHFFFAOYSA-N 431.952 6.065 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 9234678 DIRUGPJELBPAFD-KEBDBYFISA-N 428.916 6.251 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 9295690 XXTODMXXRSHJKX-HMAPJEAMSA-N 435.932 6.156 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC(c2nc3ccccc3s2)CC1 9338184 BHHWQRJBPQTIHK-UHFFFAOYSA-N 436.606 5.451 0 40 IKAB Cc1ccccc1NC(=O)c1sc2nc(-c3ccccc3)cc(-c3ccco3)c2c1N 9370948 MNEHPORIJNGJBB-UHFFFAOYSA-N 425.513 6.366 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)Nc1c(F)cccc1F 9476794 ASSIMMOBQPRIRJ-GFCCVEGCSA-N 439.491 5.159 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1C 9607336 ROUAXJJMQAHHAP-NRFANRHFSA-N 432.911 5.918 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc3c(=O)c(Oc4ccccc4)c(C)oc3c2)c1C 9748340 RQYBWTRHBADLMB-UHFFFAOYSA-N 445.471 5.303 0 40 IKAB O=C(CCC(=O)N1CCC(C(=O)Nc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 9782310 MCYLAIIBXHJABP-UHFFFAOYSA-N 440.543 5.194 0 40 IKAB CCn1c(CSc2nc3ccccc3s2)nnc1SCc1ccc(OC)c(F)c1 9820042 BFNMKJGJHWNVPM-UHFFFAOYSA-N 446.598 5.640 0 40 IKAB C[C@H](Oc1ccccc1F)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 9882539 CWJZLMPRKVTQIP-INIZCTEOSA-N 449.507 5.893 0 40 IKAB Cc1ccccc1-c1nc2cc(NC(=S)NC(=O)c3oc4ccccc4c3C)ccc2o1 9906511 AJDBFNWOJPAWKX-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB CN(C)CCCN(C(=O)c1cccc2ccccc12)c1nc2c(F)cc(F)cc2s1 10068814 ADKZPVKTYUEIBD-UHFFFAOYSA-N 425.504 5.326 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3Cl)cc2C)cc1 10314872 MKCQDLWEYMTFFC-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)c1 11866364 XDTSAFUPGYPSTK-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic O=C(CSc1nc2c(c(-c3cccs3)n1)CCCC2)Nc1ccccc1C(F)(F)F 12173288 AAMMLFWGKYXRMZ-UHFFFAOYSA-N 449.523 5.834 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 12311913 JWDWZEZMBQUAPC-HSZRJFAPSA-N 442.544 5.042 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cccc(C)c3C)c3ccccn23)cc1 12342021 VLOOHTWGACHOJV-UHFFFAOYSA-N 427.504 5.020 0 40 IKAB C/C(=N\NC(=O)c1ccncc1)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C 12659441 HIMZXVKKQBAUQS-SBNFSCNTSA-N 435.612 5.127 0 40 IKAB biogenic CC(C)Cn1c(S[C@H](C(N)=O)c2ccccc2)nnc1-c1ccc(Cl)cc1Cl 12814904 YCQLXPYDPNBUDM-KRWDZBQOSA-N 435.380 5.227 0 40 IKAB CCOc1cc(-c2cccs2)c/c(=N\c2ccc(OC)c(OC)c2)c2c(C)oc(C)c12 13541719 NYPQWBZWLBWPPU-LGUFXXKBSA-N 435.545 6.426 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(OC)c2)cc1 13660166 UBNWXKFLLCPFMW-UHFFFAOYSA-N 442.515 5.091 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccccc2F)cc1 13936082 JPHGCVUSEFWXLW-UHFFFAOYSA-N 435.933 5.089 0 40 IKAB CC(C)c1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 13946076 QVKJKRQQVMREMQ-UHFFFAOYSA-N 425.315 7.177 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 14153723 PVPJYRPGZDWNLQ-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB CCOc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)N=C2Nc1ccc(C)cc1 15906393 JEJPHNKTVHWKPN-HSZRJFAPSA-N 426.438 6.060 0 40 IKAB O=C(Nc1ccc(N(C(=O)NC2CCCCC2)c2ccccc2)cc1)NC1CCCCC1 16487835 DOQIPNFNZNRLCI-UHFFFAOYSA-N 434.584 6.321 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1ccccc1F 17096272 GJYVQGRPTHWBGB-VOTSOKGWSA-N 429.083 5.011 0 40 IKAB CCCCOc1cccc(C(=O)N(Cc2cccnc2)c2ccc(C(=O)OCC)cc2)c1 17097988 HFFMZSNHZQLTEE-UHFFFAOYSA-N 432.520 5.284 0 40 IKAB Cc1ccc2c([C@@H](O)CN3CCC4(CC3)C[C@@H](O)c3ccc5ccccc5c3O4)c[nH]c2c1 19219720 ZWROJRGVUNUVNA-FTJBHMTQSA-N 442.559 5.014 0 40 IKAB Cc1nc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)Nc1ccc(F)cc1 19766293 AOAAXFTVDGEDQS-UHFFFAOYSA-N 443.526 5.037 0 40 IKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nc3ccccc3o2)CC1 23058379 WWCQEAARZDWLOF-UHFFFAOYSA-N 440.421 6.126 0 40 IKAB Cc1cccn2cc(COc3cccc(C(=O)N(C)c4nc5ccccc5s4)c3)nc12 25058117 KHKIVIRKVUXMDS-UHFFFAOYSA-N 428.517 5.108 0 40 IKAB Cc1ccc([C@H](CC(=O)Nc2cc(Cl)ccc2Cl)c2ccc(OC(C)C)cc2)cc1 26503790 CRGPSKZOSZDHRJ-QFIPXVFZSA-N 442.386 7.250 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2ccc(C)c(C)c2)c2c[nH]c3ccccc23)cc1 27746268 YQTJHWKXMUROMK-DEOSSOPVSA-N 428.532 5.120 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1 32116482 CTJNZAMUVGDHAC-UHFFFAOYSA-N 443.135 5.348 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc(F)cc(F)c1 35196435 QMVJOBQJLOCTQV-USXZWKKNSA-N 439.461 5.388 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)oc2cc1C 59477574 VTZHBTLYMRBCGA-FYWRMAATSA-N 434.495 7.024 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@H](c2ccc(O)cc2)N1CCc1c[nH]c2ccccc12 66087609 LPHVFPPNZGBCMN-SANMLTNESA-N 434.499 5.052 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1cccc(C)c1C 67217143 RJLARZJQFXSJSG-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)c2ccccc2)cn1 72215184 UIKMWEODKMIDQO-SIKLNZKXSA-N 437.584 5.989 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(OC)c(OC(C)C)c2)C1 72352303 ATWYGXQTWXFZGM-GOSISDBHSA-N 438.593 5.046 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cc1 72354143 VIRGMRFZXMQWQM-DEOSSOPVSA-N 432.539 5.286 0 40 IKAB O=c1c([C@@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)c(O)oc2ccccc12 87724193 NZOWVZVFSVRNOR-RPLLCQBOSA-N 444.530 7.028 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN([C@@H](C)CCCC(C)C)C3=N)n2)cc1OC 102725741 VQXANEXPLMSCRK-HNNXBMFYSA-N 429.586 5.604 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3[C@@H](c4ccc(C(C)(C)C)cc4)N(c4ccccc4)O[C@H]3C2=O)c1 102752833 LDNOEDBPXLUFCK-ISJGIBHGSA-N 440.543 5.344 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)cc1 107620759 ZOSIEKHGYBUNMJ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCCO[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118916874 RNIJCNIWUSGVHJ-NWUHMLPSSA-N 442.772 9.213 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 223078639 PNIOYZUGBJVXOO-RTBURBONSA-N 447.044 5.214 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223960704 GLIHESMPKKBUMH-VGOFRKELSA-N 449.422 5.648 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224054524 KHJDCEZWSHKYGY-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)cc1 224244450 JYICRBICVJEBQA-DQEYMECFSA-N 440.572 5.366 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc2ccccc12 224306818 INVYAWZCCIDDSY-UHFFFAOYSA-N 429.541 6.402 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224422437 FYXYTCAZSBNKLC-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccccc1Cl 224480033 QJZJRPLGHNQGKY-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224926618 GTBIFYWVHIGTMN-UHFFFAOYSA-N 432.395 5.444 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225049949 WVMSLGPRFQTCNB-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 225158539 FZDAERQBEVIPAN-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(Cl)cc2Cl)sc2c1CCCC2 225371171 FUPJIQQVHZRAHS-UHFFFAOYSA-N 426.365 5.682 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225634912 GFUAOZOLFCWNBW-CVDCTZTESA-N 429.004 5.221 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 225640186 MWWDKQSVGRLNEG-DENIHFKCSA-N 445.003 5.058 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 225668741 UOYXJSPUUFALEY-KKSFZXQISA-N 435.395 5.258 0 40 IKAB C[C@H]1CCC[C@H](OC(=O)c2ccc(Br)c(-c3cc4ccccc4oc3=O)c2)C1 226357800 ALBBLMVTAYQRKN-YOEHRIQHSA-N 441.321 5.958 0 40 IKAB CC(C)C[C@H]1O[C@@H]2c3cc(C(=O)O)ccc3OC(C)(C)[C@H]2C[C@@H]1c1cccc(Cl)c1 257309281 UAIDRXCSOJBEGE-MBWHEUGSSA-N 428.956 6.485 0 40 IKAB O=C1CCCC[C@]2(CN(Cc3ccc(-c4ccccc4)cc3)C[C@H]2c2ccc(F)cc2)N1 257310952 UHHXMRLYWHHWNY-XTEPFMGCSA-N 428.551 5.521 0 40 IKAB CCN(c1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1)S(=O)(=O)c1ccccc1 260566929 ZSQPJYZLTLKCEV-HXUWFJFHSA-N 436.577 5.010 0 40 IKAB Fc1ccc(N2CCN(C(=S)c3ccccc3OCc3ccc(Cl)cc3)CC2)cc1 408578129 VVEQGTXOJJNGEG-UHFFFAOYSA-N 440.971 5.556 0 40 IKAB CC1CCC(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)CC1 408647148 BGEVIEQTYWXRNE-HVDQMUPISA-N 440.370 5.158 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408648376 XYRHZLQMICAOOX-NRFANRHFSA-N 428.532 5.704 0 40 IKAB CCCc1sc2nc(SCCc3ccccc3)n(-c3ccc(F)cc3)c(=O)c2c1C 409118570 RIROOWNIZBGCLO-UHFFFAOYSA-N 438.593 6.182 0 40 IKAB CCOc1cc(CNc2ccccc2CC)cc(Cl)c1OCc1cccc(Cl)c1 409119287 RTYJLZFAGWPLEB-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB CCOc1ccccc1[C@@H]1N(Cc2ccccc2)c2ccccc2C(=O)N1c1ccc(C)cc1 409172893 MPSTZCJIECZTRY-GDLZYMKVSA-N 448.566 6.760 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)OCc2ccc(Br)cc2)cc1 409180884 TYCJCUJEPNXQTB-UHFFFAOYSA-N 427.294 5.394 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409184459 YCLGNDXJVGIKFV-RSZPVBOMSA-N 438.549 5.156 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CC[C@@H](O)c3ccccc3)nc2-c2ccccc2)cc1 409207535 WEZGDMQQCRYBRJ-JOCHJYFZSA-N 428.557 6.238 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C\c3c(F)cccc3Cl)C2=O)c(C)c1 409373343 HHUQDZIOFKBMPI-MFOYZWKCSA-N 432.904 5.079 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C 2049238400 PECVQXJSAFWCOS-NVIVLMSBSA-N 446.716 6.822 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c(C)c1 672649 VMOLRAGMEYRMOS-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3c(C)cccc3C)c2c1 917199 ZOERZOFHYFIUOG-UHFFFAOYSA-N 429.545 5.653 0 40 IKAB O=C(c1ccc(COc2ccccc2Cl)o1)N(Cc1ccccc1)Cc1ccccc1 997989 ARYQXTMHPZSFGP-UHFFFAOYSA-N 431.919 6.355 0 40 IKAB CCc1nc(SCC(=O)c2ccc(NC(C)=O)cc2)c2c3c(sc2n1)CCCC3 1223160 SLAQUSUSROIBHL-UHFFFAOYSA-N 425.579 5.066 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)/C=C/c2ccccc2)cc1Cl 2255990 ALAYIWQOGSDRRU-SDNWHVSQSA-N 431.875 5.978 0 40 IKAB CCCCc1nc2sc3c(NCCc4ccccc4)nc(SC)nc3c2c2c1CCC2 2407463 SPRKRLCCDDOFLE-UHFFFAOYSA-N 448.661 6.447 0 40 IKAB COc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCC(C)CC2)cc1 2546367 QWPMCUGLBDHUBC-RUZDIDTESA-N 448.632 6.447 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1-c1ccccc1)C(=O)c1cccc(Cl)c1 2657156 OJFPRHBIYXNOQW-OAHLLOKOSA-N 437.927 6.090 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1cc(Cl)c(=O)n(Cc2c(Cl)cccc2Cl)c1 3041374 HXMOZYJVVBFMGP-UHFFFAOYSA-N 443.664 5.387 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nc3cc(Cl)ccc3c2=O)cc1 3291469 WSZJQDQQHHXYAV-UHFFFAOYSA-N 449.963 5.387 0 40 IKAB O=C(OCc1c(Cl)cccc1Cl)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 3319252 NGELFMGEBBAIEP-UHFFFAOYSA-N 441.289 6.342 0 40 IKAB Cc1cc(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c(C)n1CC(F)(F)F 3433745 IIGZUNFTCNGYFM-UHFFFAOYSA-N 434.487 5.100 0 40 IKAB COc1ccc(CN(CC[C@@]2(CCC(C)C)CCO[C@@H](C(C)C)C2)C(C)=O)cc1OC 4073367 KKSMWVZGZWUOSG-FTJBHMTQSA-N 433.633 5.700 0 40 IKAB biogenic COc1ccc(C[C@@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@H]23)CCCC5)cc1 6148321 XCUAPPLVYNFZIA-QPPBQGQZSA-N 430.573 5.052 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)c(C)c4)cs3)[C@H](c3ccco3)C2)cc1 8443299 HLPFCWGVNDBBLL-QHCPKHFHSA-N 429.545 6.384 0 40 IKAB CCS(=O)(=O)c1ccc(-c2csc(-c3ccccc3Cl)n2)c(Cl)c1Cl 8659738 SNGPZFLLHKWETL-UHFFFAOYSA-N 432.781 6.231 0 40 IKAB aggregator O=C(CCC(=O)N1CCC[C@@H]1c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 8772552 PKLKSGICBOZHAF-HSZRJFAPSA-N 440.568 6.290 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3cc(=O)oc4c(C)cc(C)cc34)oc3ccccc23)cc1 8879956 PJNVGJOWSYFYPD-UHFFFAOYSA-N 439.467 6.084 0 40 IKAB biogenic FC(F)(F)c1cccc(-c2nc(-c3nnc(-c4ccc(Cl)cc4Cl)o3)cs2)c1 8887896 OYZPHEQMPHLAMG-UHFFFAOYSA-N 442.249 6.853 0 40 IKAB C[C@@H]1CC[C@H]2[C@](C)(CC[C@@H]3O[C@H](c4ccccc4)OC[C@]32C)[C@@]12CC[C@]1(COC(=O)C1)O2 8952591 CVOGMLCVYFNXLE-FZCPYZSDSA-N 440.580 5.188 0 40 IKAB biogenic COc1cccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@H]2CCCO2)c1 8973140 SXYJKHDYDCTLEN-HXUWFJFHSA-N 444.535 5.088 0 40 IKAB Clc1ccccc1CSc1nnc(-c2ccc(I)cc2)o1 9200205 AXETUXLWJNMSAH-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB Cc1c(CSc2nnc(Cc3cccs3)n2C2CC2)noc1-c1ccc(F)cc1 9336731 WDQSIVIXNHDHLC-UHFFFAOYSA-N 426.542 5.660 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c3c(nn2-c2cccc(Cl)c2)CSC3)cc1 9391583 BAHWNHVTTVEJHK-UHFFFAOYSA-N 427.957 5.704 0 40 IKAB CC[C@@H](C)Sc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 9416610 IQXPLZONHVXUPH-GFCCVEGCSA-N 425.934 5.858 0 40 IKAB Cc1c(-c2ccccc2)nc(SCC(=O)Nc2ccc(Cl)cc2)n1-c1ccccc1 9434830 JBKBHBGDHHSEKP-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(Cl)cc3)c(SCC(=O)NCCCOC)[nH]2)cc1 9674168 QUDRBKCZYJRTMI-UHFFFAOYSA-N 444.000 5.204 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N(C)Cc1ccccc1 9864136 LFAVKVBASDHEJO-KRWDZBQOSA-N 431.536 5.575 0 40 IKAB Clc1ccccc1-c1nc(CSc2nnc(C3CC3)n2Cc2ccccc2)cs1 9865139 XGPPYNVNKQTDNV-UHFFFAOYSA-N 439.009 6.273 0 40 IKAB Cc1ccc(C)c(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 9892012 ZWVAIFNWHAHKGT-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB C[C@@H](Sc1nnc2sc3ccccc3n12)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658464 KKOLDRUTCXPPSY-SNVBAGLBSA-N 447.467 5.866 0 40 IKAB CCOc1ccc(-c2ccc(SCC(=O)Nc3nc4ccc(C)cc4s3)nn2)cc1 12140471 MJIXEVYIKOKNQJ-UHFFFAOYSA-N 436.562 5.191 0 40 IKAB Cc1ccc(Cc2cc(C)ccc2S(=O)(=O)Cc2cc(Cl)cc(Cl)c2O)c(C)c1 12346725 RBKKYRZNIJQOAI-UHFFFAOYSA-N 449.399 6.189 0 40 IKAB FC(F)(F)c1ccc(N2CCN(c3ncnc4sc(-c5ccccc5)cc34)CC2)nc1 12614530 KDZWKBQCEWPOJR-UHFFFAOYSA-N 441.482 5.099 0 40 IKAB C[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)Nc3ccc(C(F)(F)F)cc3)c2C1 12623513 XLJZNDQVAFMYSA-AWEZNQCLSA-N 442.437 5.174 0 40 IKAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1Cl 12872058 DQKUSMIWJNLADY-UHFFFAOYSA-N 429.303 5.544 0 40 IKAB CCc1ccc2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3OC)c2c1 12894497 CETTZSASKUTADQ-UHFFFAOYSA-N 439.467 6.030 0 40 IKAB biogenic CC[C@H](C)c1ccccc1OCC(=O)Nc1ccccc1C(=O)Nc1cccc(C(=O)O)c1 13942988 RVASBEAKFDKOCZ-KRWDZBQOSA-N 446.503 5.168 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1ccccc1Cl 14269136 XIDCQHJTRLYURX-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB Cc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Cl)cc2)n(-n2cccc2)c1=S 16807203 JFBVHGIRLXGEJC-UHFFFAOYSA-N 437.956 5.103 0 40 IKAB COc1cccc2ccc(CN3CCC[C@@H]3c3nnc(-c4nccc5ccccc45)o3)nc12 19568458 VEXOJGXLKWIWJI-OAQYLSRUSA-N 437.503 5.179 0 40 IKAB CCc1ccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(C)cc3)[nH]2)cc1 20182363 XRISIXGTAYVFRB-UHFFFAOYSA-N 434.590 5.802 0 40 IKAB Cc1nnc2sc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nn12 20427387 YSGDPGARCTUUMB-ACCUITESSA-N 427.489 5.073 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2cccc(OCCC(C)C)c2)n2c(nc3ccccc32)N1 20672478 SFTRDUUYQRQHDV-RUZDIDTESA-N 447.579 6.093 0 40 IKAB CN1CCc2c(sc3nc(SCc4ccccc4)n(C4CCCCC4)c(=O)c23)C1 20827401 GKEPUFQROPLXEV-UHFFFAOYSA-N 425.623 5.243 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1 20894891 DUIYYOQARAJUMO-UHFFFAOYSA-N 427.595 5.710 0 40 IKAB Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccccc3Cl)n3c2nc2ccccc23)cc1 23382106 XBBNWYRVSMNWCG-JOCHJYFZSA-N 444.922 5.115 0 40 IKAB Cc1c(C(=O)NCc2ccccc2-c2ccc(CN3CCCC3)cc2)[nH]c2c1C(=O)CCC2 26403505 ZXOJNDJMLMTOHI-UHFFFAOYSA-N 441.575 5.035 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1 30847794 DQXCZQZTAYLLDT-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Fc1ccc(-c2nnc(SCc3coc(-c4ccccc4)n3)n2C[C@H]2CCCO2)cc1 32691292 IJTWEOXYDLJLEM-HXUWFJFHSA-N 436.512 5.211 0 40 IKAB C[C@]12CCCC[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3cccc(Br)c3)C[C@H]12 34106773 OMJIZRMQBBHMOY-UBZMOPSTSA-N 441.453 7.444 0 40 IKAB biogenic O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H]2c1ccc(Cl)cc1 35092853 UCLWIBNAFORYLW-TYALPZDDSA-N 440.971 5.670 0 40 IKAB Cc1ccc(Sc2oc(-c3ccccc3)nc2-c2nnc(-c3ccc(C)cc3)s2)cc1 41154350 FKLAFEWJOSEDCW-UHFFFAOYSA-N 441.581 7.295 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 44843808 UNKKOUJWLOGGMI-AREMUKBSSA-N 433.617 6.813 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)cc1 44936321 FHKFVPZKNLDARY-QFIPXVFZSA-N 435.395 5.482 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)Nc1cc(C(F)(F)F)ccc1Cl 60512633 MLKSQDYIQIBNGV-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB Cc1cccc(Nc2ccc([C@@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)nc2)n1 72353094 SMQHXNSFIJWGBC-VWLOTQADSA-N 438.579 5.480 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(-c2ccc(Br)cc2Cl)o1 73638307 IAVAGDKDCFYAFK-GQCTYLIASA-N 434.511 5.701 0 40 IKAB COc1ccc2c(c1)[C@H](N(Cc1ccccc1)Cc1nnc(-c3cccc(F)c3)o1)CCO2 78947617 XJZMQLYMLMNEND-HSZRJFAPSA-N 445.494 5.410 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(Br)c(F)c1 95067955 WMBIMJRXPRMTIS-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB O=C(Nc1cnn(-c2ccccc2)c1C(F)(F)F)c1csc(Cc2ccccc2)n1 96006639 PGVLMPPPMKESJE-UHFFFAOYSA-N 428.439 5.191 0 40 IKAB COc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)NCCc5cccc6cccnc56)(C4)C2)C3)cc1 102724678 FGTRKYGLHTVXPX-QKBNKGEKSA-N 440.587 5.440 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 138404824 VDYVYZQLQJECNU-XNTDXEJSSA-N 426.925 5.101 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)o2)cc1C 216031264 XFRWJCWLHDFLJR-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 222786481 LAJSUJZKDLBRCG-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB O=S(=O)(Cc1c(Cl)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 223361251 XNUGMRSTLIZFOP-UHFFFAOYSA-N 446.406 5.079 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223480198 NGGQPKDTQTUVJU-SANMLTNESA-N 436.571 5.702 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223794610 QDFOIIHVKYDNTD-NRFANRHFSA-N 438.637 5.262 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 224069432 CGKZOSOAPWIDGF-HSZRJFAPSA-N 429.004 5.039 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1CSc1ccc(Cl)cc1 224350336 QKXKXAFSHSNMMP-UHFFFAOYSA-N 443.952 5.910 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c1 224393890 PCSYKDOUEFFORT-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cc(C)cc(C)c1 224532623 UHGZTUYDFLZPLX-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 224553386 ATGRQWLNZNWJKX-UHFFFAOYSA-N 438.549 5.145 0 40 IKAB CCN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224618115 ACMGRSVUTMVOHJ-UHFFFAOYSA-N 428.259 5.236 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2cc(C(F)(F)F)ccc2Cl)c(Cl)c1Cl 224626929 PTMSHNFCKUQDJD-UHFFFAOYSA-N 448.677 5.499 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 225176331 GGWPGSMROCLSOK-MOHJPFBDSA-N 439.540 5.144 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225267115 FFNVKZQODSINCG-QZTJIDSGSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 225515423 ZLAYSEFENRKQGC-XXBNENTESA-N 445.003 5.058 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225536531 YOCVIGIRSWKGSF-GOSISDBHSA-N 433.017 5.073 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 225667301 PLCUAPWENSQKTF-GAJHUEQPSA-N 425.997 5.848 0 40 IKAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCC3)n2)C1 226008562 USZUZAGFCNNDAA-QGZVFWFLSA-N 425.602 5.124 0 40 IKAB COc1c(Cl)cc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1Cl 226286753 ZRNXCQPSPGCYTI-UHFFFAOYSA-N 425.271 5.971 0 40 IKAB O=C(c1ccccc1Cn1ccnc1)N1[C@H]2CC[C@H]1CC(Cc1cnc3ccccc3c1)C2 257254105 KBQAUBGCXPIKHY-DQEYMECFSA-N 436.559 5.106 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCC[C@]2(C[C@@H](Oc3ccccc3)CO2)C1 257254429 KCZSBXZQGXQVFA-NAKRPHOHSA-N 427.544 5.048 0 40 IKAB Cc1cc(C(=O)N2CCC(Cc3ccccc3-c3ccccc3)(C(=O)N(C)C)CC2)cs1 257265213 LXTIIOBTBXFRGK-UHFFFAOYSA-N 446.616 5.277 0 40 IKAB CCCCC[C@@](C)(OCCC)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816955 SOJFYOFWYWWYNK-ATIYNZHBSA-N 432.649 6.034 0 40 IKAB CCCc1nc(S/C(=C\c2c(OCc3ccccc3)ccc3ccccc23)C(=O)O)n[nH]1 408631139 FDTPRHGOUVEIGL-JCMHNJIXSA-N 445.544 5.707 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)c1 408640753 IQUIMHQMCAJGEC-HXUWFJFHSA-N 428.532 5.902 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C(C)C)cc3)cc2-c2ccc3ccccc3c2)c1 408724273 JJHKMTBJQLLNGY-UHFFFAOYSA-N 445.566 7.377 0 40 IKAB COc1ccc(CSc2nc3ccc(N4C(=O)[C@@H]5CCCC[C@H]5C4=O)cc3s2)cc1 408748447 AKSIBKVFRGNBJF-QZTJIDSGSA-N 438.574 5.277 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409017379 WEPFCSWZDFRTGC-OTGIAGGSSA-N 449.931 5.902 0 40 IKAB COc1cc(CNc2ccccc2)cc(I)c1OCc1ccccc1 409110651 XMVBMFYXAPZQES-UHFFFAOYSA-N 445.300 5.491 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCc1ccc(Br)cc1 409115553 JQYPWASEAFXTPN-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 409117102 KQOHRCCBRBNOMP-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB Cc1ccc(Cl)cc1NCc1cc(Br)ccc1OCc1cccc(F)c1 409121498 YDPPYYOMSRDYNC-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB O=C1N/C(=C/c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 409172735 HQDQPWAWUBPXDU-FYJGNVAPSA-N 439.298 5.670 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)OCc3ccc(Cl)c(Cl)c3)cc2)cc1 409178945 KXWMPLCLZANFEA-UHFFFAOYSA-N 449.355 5.633 0 40 IKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1ccccc1C 409339018 DHOOFZCUYOVHGN-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB COc1cccc([C@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(-c3ncco3)c2)c1 543311736 QXEWPTFAAZRJPA-RPBOFIJWSA-N 439.515 6.113 0 40 IKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(OCC3CC3)c(F)c2)cc1 585091750 IQABREPHQIYPRU-UHFFFAOYSA-N 433.479 5.155 0 40 IKAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2ccc(Cl)cc2)CCC1 585261847 XEGAOZHZTQHXFY-HXUWFJFHSA-N 443.946 5.130 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N[C@@H](C)c5ccc6nc(O)[nH]c6c5)(C4)C2)C3)cc1 618092314 XUNNUGWGYPWBCN-ONOPDARFSA-N 429.564 5.292 0 40 IKAB COCCOc1ccc(NC(=O)c2cccc(-c3ccc(OC)cc3)c2C)cc1Cl 643586779 CUCDLYNCVCVSJS-UHFFFAOYSA-N 425.912 5.602 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H](Cn1cncn1)[C@H](Sc1ccccc1)c1ccccc1 630058 MCKCPBXNNGDCBE-LADGPHEKSA-N 433.964 5.964 0 40 IKAB COc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 687810 GNLNIDDHVUAECJ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cc2c(NCc3ccccc3)cc(O)c(CC(=O)Nc3ccccc3)c2cc1OC 754295 UTJJADQWFXUGMK-UHFFFAOYSA-N 442.515 5.356 0 40 IKAB biogenic COc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)cc1 863637 JYTILXNOBSSFNW-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378240 VCDPWMMHPGMVRB-UHFFFAOYSA-N 449.913 5.863 0 40 IKAB Cc1ccccc1OCCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1815702 SYLIFARQYAHOPB-UHFFFAOYSA-N 432.951 6.275 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1cc(C)c(C(=O)OC)o1)CCC3 2109431 VWPSPTZNYBNDHW-UHFFFAOYSA-N 438.520 5.672 0 40 IKAB biogenic O=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1SCc1ccc(F)cc1 2721758 NDCKQTJHHDKYHU-UHFFFAOYSA-N 449.525 5.806 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 2755406 DVHKYAPQIUNMSP-UHFFFAOYSA-N 440.455 5.060 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1ccccc1Sc1ccccc1 3258994 LOZMVQUQNYGGKX-UHFFFAOYSA-N 444.556 5.824 0 40 IKAB Cc1ccc(-n2c(SC[C@@H](O)COc3ccccc3)nnc2-c2ccccc2)cc1C 3323946 NBOFMQHIGSVOMN-QFIPXVFZSA-N 431.561 5.083 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)cc1 3655359 UAZVPRXAVMLCFU-UHFFFAOYSA-N 431.919 6.867 0 40 IKAB O[C@H](CN1CCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 5394919 WEOJIUMBVVUGJJ-YIXXDRMTSA-N 435.656 5.229 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2C/C=C/c2ccccc2)CC1=O 6134449 UQBPFSCOSHJKMO-KCQSEKJDSA-N 437.543 5.669 0 40 IKAB CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3ccc(C)cc3)ccc2Cl)cc1 8684425 ZPADVSURVSINRV-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 8817072 QHUCHETWCXZLTG-XCZPVHLTSA-N 442.559 6.507 0 40 IKAB O=c1c2ccccc2nc(SCc2nnc(-c3ccc(Cl)cc3)o2)n1-c1ccccc1 8825577 QHUHLZQEQNCLBY-UHFFFAOYSA-N 446.919 5.381 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 8828178 UXOSPPJFMINVEX-INIZCTEOSA-N 449.913 5.406 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1ccccc1C 8831210 HLUMDJBJLFEUHE-UHFFFAOYSA-N 443.576 5.288 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)c4cccc5c(Cl)cccc45)c3C)nc2c1 8832004 UXENCMBOMPJDDH-UHFFFAOYSA-N 440.930 7.479 0 40 IKAB Cc1ccn2c(=O)cc(COc3cccc(NC(=O)Nc4cccc(Cl)c4C)c3)nc2c1 8860220 RIEVIEAQRLUROV-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CC[C@@H](NC(=O)c1ccc(S(=O)(=O)c2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 8868034 KLTZAZPJHPOFPO-VTNVISAASA-N 437.605 5.244 0 40 IKAB CCc1ccccc1NC(=O)Cn1cnc2scc(-c3ccc(C(C)C)cc3)c2c1=O 8904170 DDFYDYYGGLPTID-UHFFFAOYSA-N 431.561 5.450 0 40 IKAB Cc1cccc2c(=O)c(-c3ccc4c(c3)OCO4)c(NC(=O)c3ccc(Cl)cc3)oc12 8972156 WRUHIEIITQIRBJ-UHFFFAOYSA-N 433.847 5.403 0 40 IKAB CCCCCN1C(=O)N(c2ccccc2C)[C@@H](N(O)C(=O)Nc2ccccc2C)C1(C)C 9019511 MMCTVUKDVKRYIG-QFIPXVFZSA-N 438.572 5.764 0 40 IKAB COc1cccc2c1O[C@@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@@H]21 9044390 WENAUEXWDPYYJE-WMZHIEFXSA-N 447.362 5.831 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)C3CCN(Cc4ccccc4C)CC3)ccc21 9062983 NXECEOGAFNWXSB-UHFFFAOYSA-N 425.576 5.974 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)C12CC3CC(CC(C3)C1)C2 9146164 ACWIQOBERIUPSG-UHFFFAOYSA-N 429.585 6.886 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2-c2nc3ccccc3s2)C1 9175825 ZSKKXVXIPWGKLC-ZDUSSCGKSA-N 448.569 6.131 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccc(C)cc2)cc1 9307470 VBIBFHMVKHZJSO-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB COc1ccc(-c2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1OC 9532258 ANQHBLJYVGEZNA-GOSISDBHSA-N 437.590 5.774 0 40 IKAB COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc(OC)c1OC 9594120 LRWSGTAEMDTYPP-KIVTUJJHSA-N 443.971 5.467 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc1 9595318 FNTHSGWHAPVJOH-XMMPIXPASA-N 427.935 6.634 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1CCc1ccccc1)c1ccc(F)cc1 9861661 HSEXKSQKFBILIJ-UHFFFAOYSA-N 437.565 5.287 0 40 IKAB C[C@@H](CC(=O)Nc1ccc(Oc2ccccc2)cc1)CC1=NS(=O)(=O)c2ccccc2N1 10273606 RCOPXPDTZIMCKL-QGZVFWFLSA-N 449.532 5.047 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)C[C@@H](C)N2S(=O)(=O)c1ccccc1 10325377 XXCBLVUNHGJAAG-OAHLLOKOSA-N 440.952 5.041 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)cc1 10338112 OQWVBKWYZGNAFI-UHFFFAOYSA-N 442.968 5.121 0 40 IKAB c1ccc(-c2ccc(OCCCc3nc(-c4ccncc4)no3)c(-c3ccccc3)c2)cc1 12655119 ZHMUGXLYCFONJK-UHFFFAOYSA-N 433.511 6.477 0 40 IKAB COc1cc(C(C)=O)ccc1OC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 12867705 VOBCHPDBZFTBCO-UHFFFAOYSA-N 435.423 5.568 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 14272260 LNRJHCSRPACMKW-UHFFFAOYSA-N 441.314 6.679 0 40 IKAB CCOc1ccc2nc(-c3ccc(NS(=O)(=O)c4ccc(Cl)cc4)cc3)sc2c1 16693095 ASEQOQKGACSZKE-UHFFFAOYSA-N 444.965 5.816 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 17085943 SFVPUTHNERPBEZ-LHSJRXKWSA-N 440.996 6.667 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3coc4ccccc4c3=O)on2)cc1 19558089 URIOGFHDDSEQNZ-QHCPKHFHSA-N 430.504 5.574 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C 19764577 JUXCVJUTWFYDBB-XMMPIXPASA-N 432.543 5.020 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 20481419 KKCNURAMJSRUOI-OAHLLOKOSA-N 426.409 5.934 0 40 IKAB COc1ccc(-c2c(C)oc3c4c(ccc3c2=O)OCN(CCc2cccs2)C4)cc1 20625031 XUNPAJZYBOZGQM-UHFFFAOYSA-N 433.529 5.233 0 40 IKAB biogenic CCCNC(=O)CSc1nnc(-c2cc(-c3ccc(C)cc3)nc3ccccc23)n1CC 21498481 YLCUESXEZMSKTA-UHFFFAOYSA-N 445.592 5.107 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)n1 24766258 VFUGMQKYJPDDTJ-INIZCTEOSA-N 434.569 5.812 0 40 IKAB Cc1nc2ccccc2c(=O)n1CCC(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 29779974 HRHBMTKELORBBJ-UHFFFAOYSA-N 440.528 5.010 0 40 IKAB CN1CCN(C(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)[C@@H](c2ccccc2)C1 30030388 JMLHZWJXPNEONG-OAQYLSRUSA-N 441.453 5.022 0 40 IKAB O=C1CCCN1c1cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)ccc1Cl 32781518 NQXKJJFYBYKYAW-OAQYLSRUSA-N 442.993 5.378 0 40 IKAB COc1ccccc1Cn1cnc2c3ccccc3n(Cc3ccccc3Cl)c2c1=O 35400229 KTBIVEJWEWRTCE-UHFFFAOYSA-N 429.907 5.110 0 40 IKAB Cc1nc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C 39762333 HBJZTLQFNKRJFF-UHFFFAOYSA-N 427.555 5.076 0 40 IKAB CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)(F)F)cc1 44088077 JAXYCPQGACOXJC-UHFFFAOYSA-N 429.261 5.922 0 40 IKAB CN(Cc1ccccc1NC(=O)C1CCN(C(=O)c2cccs2)CC1)C1CCCCC1 48287207 PAMXQSVQUZGMTD-UHFFFAOYSA-N 439.625 5.004 0 40 IKAB Cc1cc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)ccc1Cl 57317024 RYEBXDZZRZTYLF-UHFFFAOYSA-N 434.717 5.366 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc1 67190100 ZURAGCDBGYDBDN-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB COc1cc(Cl)cc2cc(/C=C/C(=O)Nc3ncc(Cc4ccc(F)cc4)s3)oc12 67339918 YAHDLEJNSQERSC-VOTSOKGWSA-N 442.899 5.933 0 40 IKAB Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccc(C)cc2)cc1 73686364 SETINKQYYJNCAW-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(F)cc3)C2)c(OC)c1 95945310 JJWGDMMZJPPABL-JOCHJYFZSA-N 438.886 5.488 0 40 IKAB Cc1nnc(-c2ccccc2NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)o1 103211101 YWFZBKWOBIEJDN-VKFLQFAXSA-N 430.346 5.108 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccc(C)cc1 216434438 YMSXAOJPRPQRLU-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2)o1 222892238 GKXRSOPDMNXYGM-UXHICEINSA-N 442.382 5.487 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222940683 IOXJWWBEKOMBTF-FGZHOGPDSA-N 425.985 5.932 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(F)cc1 223305160 VKUNQCGDHFYRQE-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 223414728 LKEHYYXUYZRWMQ-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CC(C)c1ccc(N(CC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 223632962 BGNILLSBFVCYTB-UHFFFAOYSA-N 436.533 5.114 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223816822 FLUQSHWTIKRZPK-QFIPXVFZSA-N 432.967 5.135 0 40 IKAB Cc1cccc(Nc2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)c1 223917543 KRVBAASLVYLHDJ-UHFFFAOYSA-N 448.979 6.534 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)c1 224243587 XSLMUQSVFBAYJD-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1 224325101 IZYWFUVYEBKRCD-RPWUZVMVSA-N 425.561 5.007 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)c1cccs1 224539474 DVOMQBBEKFZFGY-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 224594142 AGGVKXHYOROZDD-QFIPXVFZSA-N 447.044 5.320 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C)c2)cc1 224688214 CWDXYJGZLWLZAQ-JWQCQUIFSA-N 440.572 5.698 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225052060 MLLTYRCVCWOANL-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 225201225 MWJFNSDVLOPPMB-PMACEKPBSA-N 443.031 5.728 0 40 IKAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225457242 NTJAVFBIMGQMTO-UHFFFAOYSA-N 444.629 5.960 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225525829 HEGJASBOFGROGB-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CCOC(=O)c1cc(NC(=O)C(CC(C)C)(CC(C)C)OCC)ccc1O[C@H](C)CC 225823542 HVPGGJWFNAZPAL-LJQANCHMSA-N 435.605 5.847 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257211689 BZYKZMKPPREFFW-GOSISDBHSA-N 440.490 5.107 0 40 IKAB COc1cccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c1OC 257247597 IZPTURZZOAXBCO-IBGZPJMESA-N 434.511 5.233 0 40 IKAB O=C1CCC[C@]2(CN(Cc3cccc(OCc4ccccc4)c3)C[C@H]2c2ccccc2F)N1 257273254 NFWAFQRZMNZGAN-LBNVMWSVSA-N 444.550 5.043 0 40 IKAB O=C(/C=C/c1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 257340497 ZGKKQRINKCBVQG-ONVBKLTNSA-N 438.531 5.388 0 40 IKAB CCOc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1 408573837 KXEJRFLEDRTJME-UHFFFAOYSA-N 425.981 5.826 0 40 IKAB COc1ccccc1CNC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl 408615055 LHZPAKOBORWGPB-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cccc(Cl)c2C)cc1 408697112 HMYZMJYYZNJJIE-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(Cl)cc1 408821081 CDKMLHMEXFYDBJ-UHFFFAOYSA-N 435.774 6.431 0 40 IKAB CCOc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1 409117655 PUBNEODHBPMBBS-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1ccc(C(=O)OC(c2ccccc2)c2ccccc2)cc1N1C(=O)c2ccccc2C1=O 409177524 GOZHNTAJLJVROI-UHFFFAOYSA-N 447.490 5.742 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1-c1cc2cccc(OC)c2o1 409327553 KTWQDTPFBHFEGY-UHFFFAOYSA-N 436.537 5.067 0 40 IKAB CC1(C)O[C@H]2[C@H](O)C(F)=C(COC(c3ccccc3)(c3ccccc3)c3ccccc3)[C@H]2O1 504641126 MMPZYZZSNMTBBI-CYXNTTPDSA-N 446.518 5.113 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2cc1C 878728 UALFTTLDPONBPQ-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB COc1ccc(NC(=O)c2c(NC(=O)Cc3ccccc3)sc3c2CCCCC3)cc1 1081668 KIDFMVUYHFFJKE-UHFFFAOYSA-N 434.561 5.459 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3cccc(OC)c3)cc12 1322999 LCDYHAUGUHMVLL-UHFFFAOYSA-N 446.455 5.513 0 40 IKAB biogenic COc1cccc(C(=O)N(C2=NCCCS2)c2cc(C(F)(F)F)ccc2Cl)c1 1327931 PNQXAOSTNSHPPP-UHFFFAOYSA-N 428.863 5.507 0 40 IKAB COc1ccc(-c2coc3cc(OC(=O)/C=C/c4ccccc4)ccc3c2=O)cc1OC 1448054 DFMXHYFHHPERCA-MDWZMJQESA-N 428.440 5.096 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 1465829 NKXCMSURJQWNAD-UHFFFAOYSA-N 425.506 5.170 0 40 IKAB COc1ccc(-c2nnc(SCc3ccccc3Cl)nc2-c2ccc(OC)cc2)cc1 1756669 GKCYTDCWTXDLIF-UHFFFAOYSA-N 449.963 6.169 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1ccc(Cl)cc1 2367888 BWZLVBGEWCRRNJ-UHFFFAOYSA-N 436.294 6.248 0 40 IKAB CCn1ncc(Br)c1C(=O)Nc1cccc(COc2cc(C)cc(C)c2)c1 2727312 PCDMCHWLRMMTQL-UHFFFAOYSA-N 428.330 5.114 0 40 IKAB CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 3090413 LHKPNQMQJFEXGJ-UHFFFAOYSA-N 434.605 6.370 0 40 IKAB Cc1cc(Br)c(NC(=O)c2ccc(C(F)(F)F)cc2)c(Br)c1 3347280 VZGFNTMNVBJPCC-UHFFFAOYSA-N 437.053 5.791 0 40 IKAB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4C(F)(F)F)c(N)c3cc2c1 6134273 VVVKFJYMOUTTMH-UHFFFAOYSA-N 431.439 5.702 0 40 IKAB C[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@H]1[C@H]3CC[C@@H]4[C@H](CN5C[C@@H](C)CC[C@@H]5[C@@]4(C)O)[C@@H]3C[C@H]12 8438783 YSOKTNCRCPDOCA-NFRWQEDTSA-N 427.673 5.162 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CCCC1 8720917 LCODZWOOISOLFK-HHHXNRCGSA-N 449.558 5.503 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccccc3)CC2=O)c1 8752422 BLLYRIWSWHXYKW-QFIPXVFZSA-N 439.559 5.724 0 40 IKAB Cc1c(CCC(=O)NCc2ccc(F)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9198999 HUIYDGKLISDZBU-UHFFFAOYSA-N 435.495 5.533 0 40 IKAB Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(-c4ccc(OC(C)C)cc4)nc32)cc1 9227575 MOLWRYJZUKWLRW-UHFFFAOYSA-N 425.454 6.510 0 40 IKAB O=C1c2ccccc2N[C@@H](c2cn(Cc3ccccc3)nc2-c2cccs2)N1C1CC1 9339192 WLZVRVHFHFKFCO-XMMPIXPASA-N 426.545 5.389 0 40 IKAB Cc1ccc(-c2cc(OC(=O)COc3ccccc3Cl)cc3sc(=O)oc23)cc1 9408849 RHBVQEPBEIPUDB-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)no1 9450777 FWAZAVDQQRWZQW-JOCHJYFZSA-N 448.906 5.924 0 40 IKAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C(=O)N(C)C1CCCCC1 9544694 FKROUVZJSQVKPV-UHFFFAOYSA-N 437.536 5.050 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 9601624 GCSGLQVENNPJRG-UHFFFAOYSA-N 437.012 5.911 0 40 IKAB Cc1c(-c2ccccc2)sc2ncnc(Sc3nnc(NC[C@@H]4CCCO4)s3)c12 9619889 FUTCSBZPKJEUEV-AWEZNQCLSA-N 441.607 5.260 0 40 IKAB CC(C)(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(Cl)cc4)ccc3o2)cc1 9660226 ZEWZBKLTRPVHNX-UHFFFAOYSA-N 431.919 6.663 0 40 IKAB biogenic O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@@H]2C(F)(F)F)N1CCCc2ccccc21 9780492 DWWVXYCAPGPLNG-AZUAARDMSA-N 444.432 5.276 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3sc(-c4ccsc4)nc3C)n2)cc1F 9803133 QDYAHLIYXDOWBL-UHFFFAOYSA-N 431.539 5.704 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4cccc(C)c4OC)ccc3o2)cc(OC)c1OC 10120198 QFGXIRVAVOGDLL-UHFFFAOYSA-N 448.475 5.090 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 10128937 SHJCKFHHIUOKKD-UHFFFAOYSA-N 431.919 6.663 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 10324781 ZATYJXJHVMWTAV-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)COc4ccc(Cl)cc4)n3)oc12 10749723 NTCAIOOTTMGUDL-UHFFFAOYSA-N 428.897 5.626 0 40 IKAB CC[C@@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 10918211 AYDQSMDREHWACY-GOSISDBHSA-N 430.957 5.291 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)Cn2c(-c3ccc(C)cc3)n[nH]c2=S)cc1 11518793 PYSQFTCEZQZFFD-UHFFFAOYSA-N 446.532 5.356 0 40 IKAB Cn1c(=O)cc2c3c(c(Sc4nc5ccccc5s4)ccc31)C(=O)c1ccccc1-2 11612151 OHGNRDUBTJLJRF-UHFFFAOYSA-N 426.522 5.511 0 40 IKAB O=c1c2c(nc(SCc3ccc(Cl)c(Cl)c3)n1Cc1ccccc1)CCS2 12140517 LDFQAYKJDNZUBZ-UHFFFAOYSA-N 435.401 5.539 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@H](/C=C/c1ccccc1)C3 12322512 VZOCBXOCWPEFEW-DOJUMQAQSA-N 443.934 5.655 0 40 IKAB C[C@H](Sc1nc2ccc(Cl)cc2o1)c1nc(N)nc(N2CCCc3ccccc32)n1 12401965 YQDPUVFKOWSENA-LBPRGKRZSA-N 438.944 5.186 0 40 IKAB COc1cc2c(cc1NC(=O)O[C@H]1CCN3Cc4ccccc4N=C13)oc1ccccc12 12660203 PTKFADNXHNPQEW-NRFANRHFSA-N 427.460 5.461 0 40 IKAB biogenic Cc1ccc(Cl)c(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)c1Cl 12696298 YKNLCFKSBSOBDO-UHFFFAOYSA-N 439.393 5.688 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2Cl)n1Cc1ccccc1 13512265 YMNRDLUJJKZVAA-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB Cc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1C 13564718 YSCLCWRPKRAXQV-UHFFFAOYSA-N 438.506 5.749 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 14400782 ZQAXIFMOJVIWLH-SFHVURJKSA-N 436.939 5.629 0 40 IKAB Clc1ccc(-c2csc3ncnc(SCc4ccc(Cl)c(Cl)c4)c23)cc1 16713356 UKKHYOPXZXOMMB-UHFFFAOYSA-N 437.804 7.611 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(C(F)(F)F)cc1Cl 17094710 VLKZAPSUIFSZNW-JXMROGBWSA-N 426.221 6.924 0 40 IKAB O=C(O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1 17099382 HIXHNNKQKDFUHQ-UHFFFAOYSA-N 435.288 5.078 0 40 IKAB COc1cc([C@@H]2O[C@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 20228689 OEDFWOKQVJHDQD-CRDCFYADSA-N 444.527 6.149 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(OC)cc3)c2c1 20382534 XDCPVZXEQPCSRU-UHFFFAOYSA-N 446.572 5.559 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1 22504971 IZZVAQFDUPYZGV-UHFFFAOYSA-N 441.940 5.126 0 40 IKAB CCCOc1ccc(C(=O)c2ccccc2C(=O)Nc2ncccc2C)cc1OCCC 24836185 SGFWDXXHQYOOFA-UHFFFAOYSA-N 432.520 5.451 0 40 IKAB COc1cccc(-c2nc(C(=O)N[C@H](c3ccccc3)c3cccs3)cs2)c1OC 25775719 XFTWIHOLXGIXGR-HXUWFJFHSA-N 436.558 5.408 0 40 IKAB CSc1ccc(-c2noc(CSc3ccc(-c4ccc(C(C)C)cc4)nn3)n2)cc1 33022142 LZGCMANGAFNNEO-UHFFFAOYSA-N 434.590 6.331 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 33475437 QDUGHJLNMRVNIS-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CCCC[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 35039696 RQTWZWGQENEVSP-ZCQLHAAUSA-N 435.954 5.445 0 40 IKAB COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccccc4Cl)c3c2=O)c1 35400430 RITLCOBLWLOTOE-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1cc(Nc2ccc3nc(C)cc(N)c3c2)nc(Nc2ccc3nc(C)cc(N)c3c2)n1 36643620 CNRRJWSSDCTLTQ-UHFFFAOYSA-N 436.523 5.150 0 40 IKAB CSc1nnc(CCCNC(=O)Nc2ccc(Cl)c(Cl)c2)n1C1CCCC1 40007555 ZUVMHNOYUDMXTC-UHFFFAOYSA-N 428.389 5.176 0 40 IKAB Cc1ccc(-c2nnc(-c3nc(-c4ccccc4)oc3Sc3ccc(Cl)cc3)o2)cc1 41154355 GKUUNFRIHHIEJK-UHFFFAOYSA-N 445.931 7.172 0 40 IKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCC[C@H](C5OCCO5)C4)c23)cc1 69240052 HGOFUORYSLXYMS-SFHVURJKSA-N 444.560 5.010 0 40 IKAB CCc1ccccc1Nc1nc(C)c(C(=O)NC2CCN(Cc3ccccc3)CC2)s1 71326586 UCRQCEZHTZJVEZ-UHFFFAOYSA-N 434.609 5.152 0 40 IKAB CC(C)c1oc([C@@H]2CCCN2S(=O)(=O)c2ccccc2Cl)nc1-c1ccccc1 72307381 DUUCHJNVWAUUPV-SFHVURJKSA-N 430.957 5.644 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCCN3Cc3cccnc3)n2)c1 72391344 JIXFOSGEDHHUMR-XMMPIXPASA-N 440.526 5.544 0 40 IKAB COc1cc2cc(C(=O)Nc3ccc(Oc4cccc5[nH]ccc45)nc3)n(C)c2cc1OC 72405231 KANMZMGGUJHNQM-UHFFFAOYSA-N 442.475 5.116 0 40 IKAB O=C(N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84392814 SCBCPRWADSDPSV-HZMBPMFUSA-N 438.113 5.484 0 40 IKAB Fc1ccc(C2=C[C@@H](c3ccc(Cl)cc3Cl)n3nc(C(F)(F)F)nc3N2)cc1 102564400 DCXCQAJNLSJJKK-HNNXBMFYSA-N 429.204 5.799 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cccc(O)c1 102985168 TWGJGBATYROCRQ-AREMUKBSSA-N 432.564 6.765 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCc1ccc(Br)cc1 108973196 QULORGMNINJVOX-UHFFFAOYSA-N 432.387 5.549 0 40 IKAB Cc1ccc(SCC(CSc2ccc(C)cc2)C(=O)c2ccc(C(=O)O)cc2)cc1 114821615 VIRBIYLSQCHFHW-UHFFFAOYSA-N 436.598 6.385 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)ccc1OC(C)=O 215105514 OQAKCBOPGGCLMV-DJKKODMXSA-N 449.887 5.040 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 216348414 CJFAMVAZFCHPAV-HNNXBMFYSA-N 434.374 5.402 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 222459737 CFCDPCGXEJKCRZ-XMMPIXPASA-N 440.653 5.177 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 223181971 UAIPWFJIWRLQIE-QHCPKHFHSA-N 440.653 5.508 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 223376192 UBMYHRQVHROMGT-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223993339 PRVUFLKXXUHSRB-KDYMBEQYSA-N 446.572 5.030 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1)c1ccccc1 224008005 MRPKZGBDOAPEAN-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COc1ccccc1 224092662 FHKZQISKMYFAOT-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1c1ccccc1 224179713 XEUHSPQAQXDIFZ-DHIUTWEWSA-N 429.570 6.003 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3ccc(C(F)(F)F)cc3)ccc2OC)c1 224254373 QLIXSXCXVDKWLM-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1cccc(Cl)c1 224490097 AQPJAMCLVHZOHK-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1cccc(Cl)c1 224490844 AGDQOVLTRAURHV-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2cccc(Cl)c2)no1 224605060 SJEAKBRZROYXSC-OAQYLSRUSA-N 439.943 5.085 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2CC)cc1CSc1ccc(Cl)cc1 224671824 NWMKRYFTCKKPAL-UHFFFAOYSA-N 440.008 7.154 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225096543 GBXVIZOCZDFMSG-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB CCc1nc2ccc(NC(=S)NCCNc3ccnc4cc(Cl)ccc34)cc2s1 225229293 AFXVSTKPIXFSBT-UHFFFAOYSA-N 442.013 5.459 0 40 IKAB CCOC(=O)c1cc(-c2ccc(Br)cc2)nc2ccc(Br)cc12 226360188 SOPBLVTXCCPZTL-UHFFFAOYSA-N 435.115 5.604 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cccc3ccncc23)C1 257312135 UMQCATJQEBKMSV-QFIPXVFZSA-N 436.555 5.084 0 40 IKAB CC(C)COc1ccccc1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 408599836 MCFDYGCPDWLZOH-DJKKODMXSA-N 436.360 6.265 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N([C@@H](C)c4ccccc4)C3)cc2)c1C 408637540 AGGAKZCSKDCRMP-RBBKRZOGSA-N 428.532 5.644 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)c1 408697402 HAOFZCFHPIBMTJ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Cl)c(Cl)c3)o2)nc2sc3c(c12)CCCCCC3 408991666 QVXAHDXHQFYUMF-UHFFFAOYSA-N 445.371 7.290 0 40 IKAB O=C(Nc1ccccc1)c1c(NC(=O)C23CC4CC(CC(C4)C2)C3)sc2c1CCCC2 409134183 NZIFLVHRKNMVSI-UHFFFAOYSA-N 434.605 6.034 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 409140878 SZUSPIQXCYUDFD-GBDYGOOCSA-N 436.511 5.950 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)S(=O)(=O)c2ccccc2)cc1 409260615 SUBKEPMHIFKNFM-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(Cl)c2)nnc1[C@@H](C)Oc1ccccc1 409339064 DRJVBIQRTXFCKD-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB O=C(COc1ccccc1-c1nc(Cc2cccc(Cl)c2)no1)Nc1ccccc1F 504275029 PYSFVZJMCRCKSW-UHFFFAOYSA-N 437.858 5.137 0 40 IKAB CC(C)Cc1nc(CCc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265053 DXVDIAUYAFSSKK-UHFFFAOYSA-N 438.365 6.193 0 40 IKAB CC(=O)N1CCCCCCCN(Cc2ccncc2)Cc2cc(Nc3ccccn3)ccc21 2037931595 XFWFDKFNOMZELJ-UHFFFAOYSA-N 443.595 5.539 0 40 IKAB O=S(=O)(Nc1cc2c3c(oc2c2ccccc12)CCCC3)c1cccc2ccccc12 950310 SPEXGQOFKMQKGM-UHFFFAOYSA-N 427.525 6.419 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)cc1 1447607 DSPPIVBSUJMIBC-LJQANCHMSA-N 449.352 5.441 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCC(=O)c3ccc4ccccc4c3)cc2oc1=O 2208904 MNVMGAWPKALQLK-UHFFFAOYSA-N 444.483 5.012 0 40 IKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccccc2Cl)c(=O)c2ccccc21 2341742 YAYHHXVEJAUQIB-UHFFFAOYSA-N 444.962 6.409 0 40 IKAB O=C(Nc1ncc2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O)c1ccc(Cl)cc1Cl 2418167 JGHMAPQLEFWPOC-LBPRGKRZSA-N 446.721 5.602 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2ccccc2)cc1 2453306 WDXJGRNISKPVEG-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3217768 CNCRSKFCJXTFRK-UHFFFAOYSA-N 446.547 5.215 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NC(c1ccccc1)c1ccccc1 3254903 RBRNVNDIUJBTSD-UHFFFAOYSA-N 436.511 5.493 0 40 IKAB C[C@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 3268930 TZFNHMWQUAKROJ-OALUTQOASA-N 432.951 5.478 0 40 IKAB COc1ccccc1NC(=O)CN(c1nc2ccccc2s1)c1cccc(Cl)c1C 3318255 UVPUAKOEQUGBEE-UHFFFAOYSA-N 437.952 6.044 0 40 IKAB CCCC(=O)Nc1ccc2nc(CCC)n(Cc3ccc(-c4ccccc4)cc3)c(=O)c2c1 6510929 SUSJFKUIMVSUJH-UHFFFAOYSA-N 439.559 5.803 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3C)CC2=O)cc1 6753180 QPPAFBHJXCLXQL-NRFANRHFSA-N 425.532 5.312 0 40 IKAB CCc1ccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc1 6941109 PRPWXDMOROHUJM-UHFFFAOYSA-N 427.552 5.390 0 40 IKAB COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCCC2 8430676 MPAPOQFDHBUXDQ-LLVKDONJSA-N 442.364 5.516 0 40 IKAB Clc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCC(c3ccccc3)CC2)cc1 9031511 SZBAWOYCLMZJDQ-DEQUOLNYSA-N 428.963 6.938 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc(Cl)cc1 9072276 CPXKZOMKCYKVFU-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB COc1c(C(=O)NC(=S)Nc2cccc(Cl)c2)cc2ccccc2c1Br 9142434 ALEQAKNMMHMANL-UHFFFAOYSA-N 449.757 5.391 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc(Cl)c1O 9233384 FIOOACASMVEVEO-GIDUJCDVSA-N 428.268 5.083 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2Cl)n2c(nc3ccccc32)N1 9288255 KQQSFLIRQBFRIC-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB CCOc1ccc2oc(C(=O)Nc3nc(-c4cc(OC)ccc4OC)cs3)c(C)c2c1 9562772 NSBVXUASSKRLNC-UHFFFAOYSA-N 438.505 5.533 0 40 IKAB CCc1ccc(-c2n[nH]c(SCc3csc(N(C(C)=O)c4ccccc4)n3)n2)cc1 9639892 WPXWKZDLBDBFPC-UHFFFAOYSA-N 435.578 5.468 0 40 IKAB COc1ccc(Nc2nc(CSc3nnc(-c4cccs4)n3C3CC3)cs2)cc1 9645779 ROKYGIFYYCNXNZ-UHFFFAOYSA-N 441.607 5.843 0 40 IKAB Cc1ccc2c(CSc3nn(-c4ccc(Cl)cc4)c(=S)s3)cc(=O)oc2c1 9703956 HBXFQYNXJPAOQL-UHFFFAOYSA-N 432.979 6.024 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1)c1ccc2c(c1)OCO2 10039785 PYORKDUVQGRLLF-UHFFFAOYSA-N 429.259 5.227 0 40 IKAB O=C1c2ccccc2CC[C@@H]1[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21 10059610 YINNRXHQONSTFJ-SVEHJYQDSA-N 433.507 5.020 0 40 IKAB COc1cc(C(c2c(C)[nH]c3ccccc23)c2c(C)[nH]c3ccccc23)cc(OC)c1OC 11859584 JTECVVLOLIFJGU-UHFFFAOYSA-N 440.543 6.472 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@@H](c3cc4n(n3)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N4)C2)cc1 12160679 CKRQYAJBMKDSML-RLLQIKCJSA-N 448.533 5.084 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2cccc(Cl)c2Cl)NC(=O)N1 12619120 IUERIXRLCKQYKZ-INIZCTEOSA-N 444.240 5.279 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 12639549 WUYZKAKNFMIOBM-CYBMUJFWSA-N 433.602 5.827 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 12644420 LWLFIDKYEJTGJH-UHFFFAOYSA-N 432.470 5.266 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(OC(F)F)cc1)c1ccc(Br)cc1 12691099 SHXBNOBHYWWLPJ-IBGZPJMESA-N 432.264 5.570 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(OC)c(OC)c1)=NNC(c1ccc(C(C)C)cc1)=N2 12707502 LDBQPGXNMNMHFI-UHFFFAOYSA-N 443.547 5.660 0 40 IKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1C 12778660 IBTUFQKEQBMRJR-IBGZPJMESA-N 428.561 5.369 0 40 IKAB CC(C)CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)cc1 12913131 MWXRHWSKSZDGNI-UHFFFAOYSA-N 448.420 5.267 0 40 IKAB Cc1cc(C)c2c(n1)sc1c(N3CCCC3)nc(SCc3ccc(Cl)cc3)nc12 12954158 GVIZCKVZHAPNEB-UHFFFAOYSA-N 441.025 6.402 0 40 IKAB COc1ccc(NC(=O)CSc2nnc3c4ccccc4nc(C4CCCCC4)n23)cc1 13086069 NLMNGJKVXHCLGA-UHFFFAOYSA-N 447.564 5.065 0 40 IKAB O=C(Cc1csc(-c2cccs2)n1)Oc1ccc2cc(Br)ccc2c1 13096868 AAOALXPIOMBWOF-UHFFFAOYSA-N 430.348 5.935 0 40 IKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cc(-c2cccnc2)nc2ccccc12 13126732 QAGMWHOOIXRWFV-UHFFFAOYSA-N 436.559 5.559 0 40 IKAB O=c1[nH]c2ccccc2n1CCCSc1nn(-c2ccc(Cl)cc2)c(=S)s1 13146451 CLLDMQXRLDBMPP-UHFFFAOYSA-N 434.999 5.142 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1ccc(Cl)cc1Cl 14269663 SJKOJSYFTNSEBH-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2Cc2ccco2)cc1 16788783 ZDNGBUOHVUTFBO-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1 16844935 PNTPELXJSMQEIN-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17102752 VFXMWPTYDUSSFP-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB Cc1nc([C@@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccc(F)cc1 19765024 RQDSVHKHOGRWTI-QFIPXVFZSA-N 438.547 5.200 0 40 IKAB CCS(=O)(=O)Nc1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 19886486 NPONEPLZNIARHP-UHFFFAOYSA-N 438.593 5.168 0 40 IKAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(C)c(C)c3)C2)cc1OC 19974122 JEDMMPTZHKXBJR-UHFFFAOYSA-N 429.564 5.047 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)c(-c2ccc(CO)o2)c1 20144708 SCTXYJFOTPORFA-LLVKDONJSA-N 440.710 5.805 0 40 IKAB O=C(CSCc1ccccc1Br)NCCSCc1ccc(Cl)cc1 20238166 JBYZKCURZWDRKQ-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 22510453 VNULVQGADOAOLE-WOJBJXKFSA-N 430.548 5.707 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(CSc4ccccc4)cc3)cc2)CC1 22527954 PAZLODJYHCKUHE-UHFFFAOYSA-N 430.617 6.463 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H](Sc1ccccc1)c1ccccc1 24226777 DRDIFHOFMNFMPX-RUZDIDTESA-N 427.573 5.423 0 40 IKAB COCc1c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)oc2ccccc12 24729641 SABBPWSSGFKVKU-QFIPXVFZSA-N 425.488 5.169 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)cc2)C1 30755014 KDXVWMGHYWCOES-OAQYLSRUSA-N 441.575 5.101 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3cc4c(cc3cc12)OCO4 35288934 TWCSSUOZNKQIIX-UHFFFAOYSA-N 431.395 5.032 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@@H]2CCCC[C@H]12 36276143 OCBGRIQTTYHAGA-ASZGMNLJSA-N 436.478 5.177 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(COc2ccc(OC(F)(F)F)cc2)o1 36358195 VMJWREAXMXAMRA-UHFFFAOYSA-N 444.409 5.211 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(Br)cc3)cc(C3CC3)nc21 36616605 PJHZMILYODHUIR-UHFFFAOYSA-N 427.346 5.432 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccccc1 40251208 XYDAYOZOEXNMAH-INIZCTEOSA-N 436.342 5.912 0 40 IKAB Cn1c([C@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)nc2ccccc21 48310365 FTBSFIRDTDKPKR-JOCHJYFZSA-N 440.330 5.165 0 40 IKAB CC(=O)Nc1ccc(C(F)(F)F)cc1NC(=O)Cc1coc2ccc3ccccc3c12 48354237 TYPLQHPROZETHO-UHFFFAOYSA-N 426.394 5.744 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(F)cc4Cl)nc3c2)c(OC)c1 59294283 HPVXSDJOWUMMBH-UHFFFAOYSA-N 426.831 5.557 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=CC[C@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 59779534 ZDFUASMRJUVZJP-GIIHIBIBSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2noc(-c3nn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1C 64949875 BOVJAUJCQVBDBV-UHFFFAOYSA-N 428.879 5.373 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)n1 72375366 YIFROVUASUAURJ-HXUWFJFHSA-N 427.508 5.264 0 40 IKAB CCc1cccc(C2=NN(C(C)=O)[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 95945253 OVAJHDYHNTVKJX-HHHXNRCGSA-N 434.543 5.799 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2[C@@H]2CCOC(C)(C)C2)[C@H](c2ccc(OC(F)(F)F)cc2)S1 96117406 WYKUGNAGJSYPGW-CJNGLKHVSA-N 441.475 5.091 0 40 IKAB CCCOc1ccc(-c2nc3c(sc(=S)n3-c3ccccc3)c(=O)[nH]2)cc1OCC 98086464 WPUOCXNKFDGYIL-UHFFFAOYSA-N 439.562 5.359 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 222549648 DIAXIYXSHRIPIH-WZONZLPQSA-N 445.003 5.003 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222618148 UMQBBDLNTLCCAZ-AMGIVPHBSA-N 444.619 5.537 0 40 IKAB CC[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccc2c(c1)CCCC2 223023886 HAJGISJXOFNWRT-NRFANRHFSA-N 432.427 5.829 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1ccc(CN2CCc3ccccc3C2)cc1 223509630 ZCBWELYADUOEMP-UHFFFAOYSA-N 436.555 5.207 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc4ccccc34)cc2C)cc1 224205784 PJDRIEIAPQAKOP-UHFFFAOYSA-N 444.556 5.534 0 40 IKAB CCOc1ccc(C(=O)NCCC2=CCCCC2)cc1COc1cccc2ccccc12 224628484 GBZBTIVOKPJOPB-UHFFFAOYSA-N 429.560 6.438 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224913586 LYKSKHSQYQTFFA-UHFFFAOYSA-N 426.516 6.394 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225134373 PHYYMOAVNOFARI-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225555828 IZAYCRINXFJAQE-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@H](C)C1 225667271 PLCUAPWENSQKTF-SBUREZEXSA-N 425.997 5.848 0 40 IKAB FC(F)(F)c1cc(NC(=S)NCCCN2CCc3ccccc3C2)ccc1Cl 225742953 AJJPLSVARKDTGI-UHFFFAOYSA-N 427.923 5.094 0 40 IKAB Cc1cccc([C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)c1 225779955 IUONFJVIZIYMPP-HHHXNRCGSA-N 441.958 6.747 0 40 IKAB O=C(NCc1cccc2ccccc12)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225909845 WBRLXNQZWKEWDT-IBGZPJMESA-N 427.375 5.675 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 257200325 ACWJEKFKWHWQFV-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2c(Cl)cccc2Cl)cc1)c1ccccc1 408582836 YAYPWGBRMIRIGR-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1 408820282 VCZKSLCSXTZEJX-UHFFFAOYSA-N 443.863 5.200 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3)C2=O)cc1Cl 409017376 WDSHONLGBPLWDE-VCRXTVNUSA-N 444.940 5.192 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(CN2CCOCC2)cc1 409028149 KNHSYXWNRLZCMK-UHFFFAOYSA-N 430.592 5.239 0 40 IKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(c3ccccc3Cl)C2=O)cc1Cl 409053399 JSRGJFCYGLXOIZ-DHDCSXOGSA-N 428.724 6.286 0 40 IKAB CCc1ccccc1NCc1cc(Cl)c(OCc2cccc3ccccc23)c(Cl)c1 409119090 PNMZEADPYGPRBN-UHFFFAOYSA-N 436.382 7.900 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1C 409120316 VJHAKNZWXKZRBG-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1CC1CCCCC1 409124312 AWYHXAILKOSPJG-WQRHYEAKSA-N 436.360 6.870 0 40 IKAB O=C(Cn1nc(COc2ccccc2)oc1=S)N1c2ccccc2Sc2ccccc21 409157759 WHKLPTBUOYPMQE-UHFFFAOYSA-N 447.541 5.614 0 40 IKAB COc1ccc([C@H]2C[C@@H](NC(=O)c3ccccc3)[C@@H]3CCCC[C@H]3O2)cc1OC(F)F 2037843314 AKSMNZYHTLJDJQ-QEUVDIPISA-N 431.479 5.115 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cc3ccccc3cc2O)o1 867620 BFCOOKCPOXZYOB-UHFFFAOYSA-N 425.897 5.288 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871350 RBCGPPFWHQVVDF-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)NCc3ccccc3)c(=O)[nH]c2c1 875314 LEGODJGXCHWWGL-UHFFFAOYSA-N 445.563 5.053 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccccc3)cc2c1 875386 UTHIIHJNZXSCSC-UHFFFAOYSA-N 441.600 5.222 0 40 IKAB CCc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 928172 UQTQFGYTHLEYEY-UHFFFAOYSA-N 431.561 5.391 0 40 IKAB O=C(COC(=O)/C=C/c1ccc(OCc2ccccc2Cl)cc1)Nc1ccc(F)cc1 959608 CHZAYQOTRBNCRL-VGOFMYFVSA-N 439.870 5.253 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cc(C)ccc2C)c1C 976164 RIBKDKWNBIPRHS-UHFFFAOYSA-N 428.535 5.026 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 1377362 KKUDEXNHBHYKPF-UHFFFAOYSA-N 433.986 5.578 0 40 IKAB Cc1ccc(N2C(=O)[C@H](CSc3ccc(Br)cc3)[C@H]2c2ccccc2)cc1 1394094 DXGAUROYEGPQDM-FGZHOGPDSA-N 438.390 6.254 0 40 IKAB Cc1nc(C(=O)Nc2ccc(F)cc2F)nn1-c1cc(OC(C)C)c(Cl)cc1Cl 1400990 GGQZTKKXFFIPIX-UHFFFAOYSA-N 441.265 5.200 0 40 IKAB CC(=O)N(CC[C@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 1410112 YSBBYOTWFWUSLC-BJKOFHAPSA-N 437.580 5.451 0 40 IKAB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3ccccc3)cc12 2061253 WLTDQPGKZWMMAK-UHFFFAOYSA-N 447.512 5.288 0 40 IKAB COCCCNC(=O)c1c(C)c(-c2ccccc2)nc2c(C)cc(Br)cc12 2079552 PVGNNHPILHFEJP-UHFFFAOYSA-N 427.342 5.047 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2c(C)c(-c3ccccc3)nc3c(Cl)cccc23)cc1 2079605 BQKYZRMQXABQFZ-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB CCOc1cc(CNc2ccc(Oc3ccccc3)cc2)ccc1OCc1ccccc1F 2093828 SUPYRMFNPAZDJY-UHFFFAOYSA-N 443.518 7.208 0 40 IKAB Clc1ccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)c(Cl)c1 2267619 OFRSJEZKZFXLEZ-UHFFFAOYSA-N 443.333 8.063 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 2352592 HZRVRWVKEYAVQS-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1cccc(Cl)c1 2433385 YVMUTERMPAYHQY-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCC(C)CC2)c1C 2546538 WRJCAZWZHRAVKZ-DEOSSOPVSA-N 436.596 6.578 0 40 IKAB O=C(CCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 2643296 VKOLEAIXESIYPB-UHFFFAOYSA-N 437.952 5.995 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4)n2)Cc2ccccc2O3)cc1 2691149 VDLKQJIUXIWSMT-UHFFFAOYSA-N 439.540 5.879 0 40 IKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1c(Cl)cccc1Cl 3041620 YODRLVBIQYILMX-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB aggregator CC(C)CCC[C@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4[C@H](C)OC(=O)CC[C@]4(C)C3=CC[C@]12C 3851320 WKGUHYADFSJSGL-UOCOYFFGSA-N 426.685 7.880 0 40 IKAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1 5859844 BTHGGKYAWTZMCO-IRXDYDNUSA-N 430.593 5.471 0 40 IKAB Cc1nc2ccc(S(=O)(=O)Nc3ccc(-c4nc5cccnc5s4)cc3)cc2s1 8683788 MDIUHSXLUNWCLE-UHFFFAOYSA-N 438.559 5.077 0 40 IKAB C[C@@H](Cc1ccc(Cl)cc1)NCCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 8748954 XIRRZPCWSNKZAJ-XDHUDOTRSA-N 432.366 6.459 0 40 IKAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)Nc2ccc(Cl)c(Cl)c2)s1 8762407 CEXRXVCXEMBSCK-UHFFFAOYSA-N 428.793 7.350 0 40 IKAB O=C(NC1CCCCCC1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 8782186 XDNSBFPNXXJCFQ-UHFFFAOYSA-N 431.555 6.010 0 40 IKAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 8892226 LJQHVTRFOZQNII-MWJHTSKTSA-N 444.537 6.592 0 40 IKAB CCN(CC)C(=O)c1ccc(-c2nnc(Nc3cccc(Cl)c3)c3ccccc23)cc1 8920302 PKWVHEJIQHMRPK-UHFFFAOYSA-N 430.939 6.176 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c(C)c1 8922616 MEWMELBOMNIPEZ-HHHXNRCGSA-N 447.962 5.581 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1 9461391 OFTGYVHDASJJEY-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nc(C)c(C)n1C1CCCC1)c1ccccc1 9467426 WOTGAUGTEPNMOX-XMMPIXPASA-N 449.620 6.404 0 40 IKAB Cc1ccc(SCc2cccc(C(=O)Nc3ccnn3Cc3ccccn3)c2)c(C)c1 9469674 BFDGOIBZBADJBG-UHFFFAOYSA-N 428.561 5.488 0 40 IKAB COCCN(Cc1cccs1)C(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 9577945 XHURFSFFSFLQJP-QFIPXVFZSA-N 433.577 5.220 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCC[C@@H]1c1nc2ccccc2s1 9592055 GRYHPOZMDJRDHZ-MRXNPFEDSA-N 430.455 5.029 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccco3)nc2-c2ccc(C)cc2)cc1 9646079 IUTNJSKSVCBZTG-SFHVURJKSA-N 444.560 5.385 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2nnc(C)n2C2CC2)c2ccccc2)cc1Cl 9685025 XNPNPTGISRHVCI-IBGZPJMESA-N 428.945 5.056 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 9707773 TYQZSCSIXDCOSA-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 9904066 RYONYDLLXHJLRB-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(OC(C)C)cc3)ccc2C)cc1 10369699 SFHYVWHEMNVZLT-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB O=C1NCCCC[C@H]1Sc1nnc(-c2ccc(Cl)cc2Cl)n1Cc1ccccc1 11071470 RZBDEMXWIVZBAW-GOSISDBHSA-N 447.391 5.061 0 40 IKAB C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N(C)Cc1ccccc1N1CCCC1 12651018 IXOJOGRGSKXZBT-SFHVURJKSA-N 444.604 5.445 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 12904087 FSZRUZZZTASKRL-UHFFFAOYSA-N 432.332 5.183 0 40 IKAB Cc1ccc(Nc2nn(CN(C)CC(=O)Nc3ccccc3Cl)c(=S)s2)cc1C 13070042 QEJRWYMRWQKVHF-UHFFFAOYSA-N 448.017 5.216 0 40 IKAB COc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C 13109076 PHOBEWVBPNURCD-ZDUSSCGKSA-N 448.441 5.389 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2ccc(-c3csc(C)n3)s2)c2ccccc2)cc1 13128043 PVMGHMROWWABQH-HSZRJFAPSA-N 433.602 5.958 0 40 IKAB COc1ccc(CNc2nnc(SCC(=O)Nc3cccc4ccccc34)s2)cc1 13128245 ZBXMCIARXGREMZ-UHFFFAOYSA-N 436.562 5.043 0 40 IKAB CCc1cccc(C)c1NC(=O)C(=O)c1c(-c2ccc(OC)c(Cl)c2)cc2ccccn12 13609556 SFXWUMDRCBOFEK-UHFFFAOYSA-N 446.934 5.961 0 40 IKAB CSc1nc(N2CCCC[C@@H]2C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13786541 IDSDHUYHVAFTBA-HNNXBMFYSA-N 446.645 6.496 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2)c1 14155109 DASACHHUULYJKX-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1 15881928 NAJJNVXNEBZXOE-UHFFFAOYSA-N 437.956 5.059 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1C(/C=C/c2ccc(Cl)cc2)=N[C@H]2CCCC[C@@H]21 15906253 ZSRUAOVZKYBDSK-WVOLPMMFSA-N 425.359 6.272 0 40 IKAB CCCCCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc21 15979911 CABCCQJEWCEQNV-UHFFFAOYSA-N 441.685 6.813 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 16194622 KIWVUFUIEVQINJ-UHFFFAOYSA-N 446.768 5.392 0 40 IKAB Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 16401397 ICWKRUDMTOOYGI-UHFFFAOYSA-N 448.763 6.153 0 40 IKAB O[C@]1(C(F)(F)F)[C@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957579 PEAWIEYQMCERBF-JXFKEZNVSA-N 449.885 5.501 0 40 IKAB O=S(=O)(NCCSCc1ccccc1Cl)c1ccc(Oc2ccccc2)cc1 20108652 HHAFLJCOTYIFQU-UHFFFAOYSA-N 433.982 5.344 0 40 IKAB Clc1ccc(-c2nc3ccccn3c2CN2CCN(c3cccc(Cl)c3)CC2)cc1 20366647 XEWLPYLOBZMNEI-UHFFFAOYSA-N 437.374 5.630 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccccc1Br 21410458 IIEPKVWJGKVUFU-LBPRGKRZSA-N 435.268 5.192 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2ccccc2OCc2noc(C)n2)cc1 21487750 UDOSKEHSDWXZOA-UHFFFAOYSA-N 431.448 5.010 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc(N3CCCCC3)c(F)c2)c(Br)c1 21576474 HWQIXARSLAFROV-UHFFFAOYSA-N 435.337 5.213 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1cccc2c(Cl)cccc12 21580561 QADSDDXEHAYUOM-UHFFFAOYSA-N 427.891 6.297 0 40 IKAB O=C(CCSc1nnc(N2CCCCC2)n1C1CC1)Nc1ccccc1-c1ccccc1 24829086 NYCXIXVYNKGPMQ-UHFFFAOYSA-N 447.608 5.391 0 40 IKAB COc1ccc(-n2c(S[C@H]3CCCCCC3=O)nc3ccccc3c2=O)cc1Cl 28186713 JLTGMBBENJOOKO-FQEVSTJZSA-N 428.941 5.042 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](c3ccccc3)c3ccc(C)cc3)cc2)cc1 30853574 UFPNRIGVKBDZMD-NDEPHWFRSA-N 437.608 7.115 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1C 32115134 FWEISJNVQVHOPR-UHFFFAOYSA-N 442.849 6.061 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\NNc3nc4ccccc4s3)c3ccccc3C2=O)c(C)c1 32709452 TUEFJMBUUIVKFZ-RGEXLXHISA-N 440.528 5.058 0 40 IKAB Cc1ccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)cc1 33022038 KUOCARQAKUJUSP-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4ccc(F)c(F)c4)n(C)n3)n2)cc1 35683041 VNNXIXRXDPTWPH-UHFFFAOYSA-N 440.475 5.140 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC=CC[C@H]2c2nc3ccccc3s2)c(C)c1 37170592 SRFSWTHEYUURMI-RBUKOAKNSA-N 433.577 5.026 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cc(C)on3)n2-c2ccc(Cl)cc2)cc1 44087584 VWJVUAKYQUYPMH-UHFFFAOYSA-N 438.940 5.528 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 44903202 GIYYUACWPLWXIS-LJQANCHMSA-N 431.601 6.643 0 40 IKAB C[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(F)cc1 44950211 OQICVFKHGNCGEO-CRICUBBOSA-N 434.536 5.091 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)cc1C 57428514 MIYNXUBZXDPTLM-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1ccc(Cn2cnc3sc(-c4nc(-c5ccc(Cl)cc5)no4)c(C)c3c2=O)cc1 67260326 LUEPUBQXNIMRGK-UHFFFAOYSA-N 448.935 5.494 0 40 IKAB Cc1cccc(Nc2ccc(C3CCN(C(=O)c4cc5cc(F)ccc5n4C)CC3)nc2)n1 72374253 NUJUEWZURKDKJS-UHFFFAOYSA-N 443.526 5.179 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1ccc(C(F)(F)F)cc1 104153314 CHYODOHQZJRDOV-QFIPXVFZSA-N 428.454 6.518 0 40 IKAB Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(NC(=O)Nc4ccccc4)c3)C2=O)c1 113562473 HOMHSNWJLGZRMJ-OAQYLSRUSA-N 431.517 5.063 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219959550 VZSPTLGKIBIFPT-UHFFFAOYSA-N 442.603 5.422 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222956468 HTYDMXVCPDHRNB-NHCUHLMSSA-N 445.419 5.952 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C(=O)O)cc2C)o1 222985367 XRKXQWUBNGPLPR-FGZHOGPDSA-N 435.549 5.121 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 223363250 BLVQXFDAQXQVEO-NRFANRHFSA-N 439.943 5.085 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 223853987 RYVVUFMWKCENFY-RPWUZVMVSA-N 432.593 5.498 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)cc1Cl 224231448 UUTKUWQSXJVPNM-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c(C)c1 224232609 OUAVVAKZIPUTSQ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CSc1ccccc1 224395049 NHMVMGMECMCQJA-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCCCOCc1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC 224442508 GSCRALTVEGCWBS-UHFFFAOYSA-N 439.939 6.710 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccc(C)c(C)c1 224622917 ONZUYNOSQTXUKL-UHFFFAOYSA-N 439.939 6.195 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(CC)cc1 224940186 XILBAZSRDUQFBA-KRWDZBQOSA-N 449.422 5.432 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224966057 NDLQEPGYTNVXFX-GOSISDBHSA-N 430.935 6.413 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 224977320 PLMPORRMGRQQRU-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225076875 UFSXNPMYOZNSSH-PMACEKPBSA-N 445.003 5.139 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225340795 CGWUVHIADOKYHQ-LJQANCHMSA-N 427.573 5.552 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 225501414 KTOBOQKSFHVDOQ-QHCPKHFHSA-N 439.625 5.395 0 40 IKAB CC[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccccc1C 225758502 XGEMBXRUNXZQIW-VWLOTQADSA-N 444.644 6.961 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)ccc2O1 257233498 GPOBMWHHFQXYQI-OAQYLSRUSA-N 448.557 6.044 0 40 IKAB COc1ccc(C2(C(=O)N3CCC[C@@H]3c3ccnc(-c4ccccc4)n3)CCCC2)cc1 257248516 JDZBRSBHGPDIBA-XMMPIXPASA-N 427.548 5.328 0 40 IKAB COc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(C)cc1 408614219 ZVKGDRDFPMBDMM-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCOc1ccccc1N(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(OC)cc1 408624210 GFLRBEZNVWSHJD-UHFFFAOYSA-N 449.931 5.282 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1 408980053 UCKFHAMEADBCCQ-SFHVURJKSA-N 443.510 5.345 0 40 IKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409027046 SOPJINXSLCPNAE-UHFFFAOYSA-N 426.025 6.680 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCC(C)C 409342807 GVBJGJPRXNPGAQ-UDWIEESQSA-N 431.941 6.014 0 40 IKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN2CCCCC2)cc1 585293285 ZBQHPJCXJXDMCW-YGPDHOBYSA-N 442.043 6.722 0 40 IKAB Cc1ccc(-c2cccc(CN3C(=O)N[C@@H](c4ccccc4OC(F)(F)F)C3=O)c2)cc1 1615054553 AEZBANDZTGDPRA-NRFANRHFSA-N 440.421 5.354 0 40 IKAB Cc1cccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2)c1 712617 JMTJGHAQORJCRM-UHFFFAOYSA-N 426.541 6.201 0 40 IKAB CC(=O)Nc1ccc2nc(SCC(=O)NC(c3ccccc3)c3ccccc3)sc2c1 780268 WGNLKQKKUXOWJZ-UHFFFAOYSA-N 447.585 5.253 0 40 IKAB CC1=C(C(=O)OCc2ccc(C)cc2)[C@@H](c2cccc(Oc3ccccc3)c2)NC(=O)N1 861383 SLHUCIDDZHKHHM-XMMPIXPASA-N 428.488 5.159 0 40 IKAB CCCC(=O)Oc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)c(C(F)(F)F)oc2c1 939987 INPMRSGEMQEVNX-UHFFFAOYSA-N 436.382 5.202 0 40 IKAB CCOc1ccc(Oc2coc3cc(OCC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1448072 SFWBAACSYBRBCM-UHFFFAOYSA-N 434.419 5.385 0 40 IKAB biogenic CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)/C=C/c4ccccc4)c3)nc2c1 1860937 DNYPEEKODQHKSR-RKCSUWQLSA-N 430.935 7.314 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1ccccc1OC 1893025 KTSMNNXZTPRZHJ-UHFFFAOYSA-N 439.533 5.398 0 40 IKAB O=C(Oc1ccc2cc(-c3nc4ccccc4s3)c(=O)oc2c1)c1ccccc1Cl 2348772 SUYOWZGTXIQRLN-UHFFFAOYSA-N 433.872 5.942 0 40 IKAB biogenic CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)c1cc(C)c(C)cc1C 2363878 LKGKZIHFJAMBAC-UHFFFAOYSA-N 429.314 5.285 0 40 IKAB CCCCCOc1cccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)c1 2372184 FWPUVROIVCLPRU-UHFFFAOYSA-N 438.575 6.395 0 40 IKAB CCOc1ccc(NC(=O)c2cnn3c2N[C@@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012801 ALAWDGDPEKPIKC-UXHICEINSA-N 444.457 5.503 0 40 IKAB CCCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 3024365 CTGZSXAVSAOWGC-INIZCTEOSA-N 445.357 5.010 0 40 IKAB CCOC(=O)[C@H](C)Sc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104482 DSNALBSJCGDOSD-HNNXBMFYSA-N 445.009 6.133 0 40 IKAB O=C(c1ccccc1Cl)c1cc(Cl)ccc1NC(=O)c1cc(Cl)sc1Cl 3276749 URPHOGXEYRTOMB-UHFFFAOYSA-N 445.154 6.845 0 40 IKAB Cc1oc2cc(OCC(=O)Nc3ccccc3F)ccc2c(=O)c1Oc1ccc(F)cc1 3289921 VVZIJURSJOQMML-UHFFFAOYSA-N 437.398 5.189 0 40 IKAB COc1ccc(NC(=O)[C@@H](Sc2nc3ccccc3s2)c2ccccc2)cc1Cl 3318283 NGKZEOKKIQLHJG-FQEVSTJZSA-N 440.977 6.430 0 40 IKAB CCc1ccc(Nc2nnc(SCc3cc(=O)oc4cc5c(cc34)CCC5)s2)cc1 3372865 UZSGTHIRLRJLCG-UHFFFAOYSA-N 435.574 5.732 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OCc3ccccc3)cc2)sc2c1CCCC2 3766143 BFXBASMZVJKOTD-UHFFFAOYSA-N 435.545 5.635 0 40 IKAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cc(I)ccc1Cl 8448763 SFFYRMUCHODGFZ-UHFFFAOYSA-N 447.659 6.096 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(NC(=O)/C=C/c3ccc(F)cc3)ccc2C)c(C)c1 8685532 KASQKWYUPNRZQV-MDWZMJQESA-N 438.524 5.204 0 40 IKAB aggregator O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1F 8758287 UAPQVIKYNJNMPM-KRWDZBQOSA-N 449.913 5.428 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1CSCc1cccc(C(F)(F)F)c1 8857021 ZXCFYTMABYDGBB-UHFFFAOYSA-N 426.459 7.116 0 40 IKAB CCOc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)cc(OCC)c1OCC 8898817 CLQGSZJPFLBBOK-OAHLLOKOSA-N 428.554 5.326 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)cc1 9076206 QDIIWHWKYDTZPI-NZQKXSOJSA-N 437.337 6.408 0 40 IKAB CCn1c2ccccc2c2cc(N[C@@H]3c4ccccc4C(=O)N3CCc3ccccc3)ccc21 9113058 DJAXGAFGDQQFLN-LJAQVGFWSA-N 445.566 6.624 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9158049 OHNMMEZNPWRYIZ-NRFANRHFSA-N 432.476 5.107 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3cccc(OC)c3)c(O)c2)cc1 9409805 OYIDLUWMTJUOFP-UHFFFAOYSA-N 441.487 5.454 0 40 IKAB biogenic Cc1ccc(Nc2nnc(SCc3nc4ccc(Cl)cc4n3CCO)s2)cc1C 9464494 ZIXRVTCNXXIYCP-UHFFFAOYSA-N 446.001 5.186 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 9613599 DKBFBCZURUSEAR-HXUWFJFHSA-N 431.542 5.405 0 40 IKAB O=C(O)c1ccc(N2C(=O)c3[nH]nc(-c4ccccc4)c3[C@H]2c2ccccc2Cl)cc1 9679092 SSPODNUVKHHSMT-JOCHJYFZSA-N 429.863 5.178 0 40 IKAB Cc1ccc2c(c1)c(=O)c(C(=O)c1ccccc1)cn2CC(=O)Nc1ccc(C(C)C)cc1 9855780 KSKNNWZELBRDKD-UHFFFAOYSA-N 438.527 5.303 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccccc3OC(F)(F)F)cc(-c3ccco3)nc21 10927569 WKXGJWNPYVFLBO-UHFFFAOYSA-N 430.386 5.423 0 40 IKAB O=C(NC(Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F)c1ccccc1 12375904 YLUYDEIVIZKUCP-UHFFFAOYSA-N 431.163 5.656 0 40 IKAB c1ccc(Nc2nnc(SCc3csc(-c4ccco4)n3)n2-c2ccccc2)cc1 12376757 UAUIARSJFPEBCE-UHFFFAOYSA-N 431.546 6.020 0 40 IKAB C[C@@H]1S[C@@]2(C(=O)N(Cc3ccccc3Cl)c3ccccc32)N(c2ccccc2)C1=O 12417011 BCXVBOSDFJJECZ-FYSMJZIKSA-N 434.948 5.208 0 40 IKAB CC[C@H](CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 12637707 ZVTYDIUMWWARGO-CYBMUJFWSA-N 448.177 5.629 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccc(Cc3nc4ccccc4s3)cc2)c1C 12812741 OVZOPDWWMFAEDE-MRXNPFEDSA-N 431.561 5.718 0 40 IKAB CCOc1ccc(CNCC[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1OC 12864436 OHZCFVVRZGMNSE-RRPNLBNLSA-N 441.612 5.355 0 40 IKAB biogenic CC(C)c1ccc(C(=O)OCC(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1 13063139 ZUSJLECPOCXGTI-IBGZPJMESA-N 444.531 5.097 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CNc1ccc(C)c(C)c1 13129827 KBQQDVHHWMFMMJ-UHFFFAOYSA-N 426.513 5.398 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2)cc1 13536957 YXHIZMKPEVXIID-ISKFKSNPSA-N 449.348 6.090 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1OCc1ccc(C)cc1 13616016 FXUGUDHTQLEEJC-HAHDFKILSA-N 427.500 5.626 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@H](C)Oc1ccccc1Cl 13870831 WEBJYUUCJCLJFL-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB O=C(CCN1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12)Nc1ccc(Cl)cc1 13945803 OURBYRVWXHQSSE-DEOSSOPVSA-N 429.907 5.395 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1Cl 14272205 QMAACWAGECHJGY-UHFFFAOYSA-N 441.314 6.761 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)c3cc(C(C)C)nc4ccccc34)n2)c(F)c1 14702206 SOVYWGZKOYSFGS-UHFFFAOYSA-N 448.523 5.832 0 40 IKAB Cc1nc(/C=C/C(=O)Nc2nc3nc(-c4ccccc4)cc(C(F)(F)F)c3s2)cs1 14779917 QVEAEXRYBAAPRT-BQYQJAHWSA-N 446.479 5.794 0 40 IKAB COc1cc2c(cc1NC(=O)CSc1nnc(-c3ccc(F)cc3)o1)oc1ccccc12 15081068 NONQVGPGDXSDRY-UHFFFAOYSA-N 449.463 5.515 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3sc4c(c32)CC[C@H](C(C)(C)C)C4)cc(OC)c1OC 15106865 SIOXAIQOBKXQQW-HOCLYGCPSA-N 429.582 5.399 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)nc2c1 17099268 ZIQUVLKXPDSSJB-OAHLLOKOSA-N 434.923 6.923 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@@H](c3nc(Nc4ccccc4)n4ccsc34)C2)cc1 19594410 AWQYPFYRLZCPRC-HXUWFJFHSA-N 446.576 5.306 0 40 IKAB CCCCCOc1ccc([C@@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19851247 NMTSUZDLHHSAJZ-SVBPBHIXSA-N 425.613 5.215 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3SC(C)C)cc2)cc1 20612908 OJKIRUFAKRPZJC-UHFFFAOYSA-N 440.590 5.549 0 40 IKAB CCOC(=O)c1nnc2c(-c3ccc(F)cc3)c(C)nn2c1CSc1ccc(C)cc1 20633620 QEATVCSGJLWYJJ-UHFFFAOYSA-N 436.512 5.016 0 40 IKAB COc1ccc(-c2cnn3c2N=C(O)C[C@H]3C(=O)Nc2cccc(Cl)c2Cl)cc1 20731289 MARWXPPGIMYVHY-INIZCTEOSA-N 431.279 5.037 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22053472 BBCJNGBJDJZVSM-UHFFFAOYSA-N 426.225 6.403 0 40 IKAB C[C@H](NCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 22074156 FTYLWPGVPQOCMZ-INIZCTEOSA-N 430.773 6.532 0 40 IKAB CCOc1cc(CNCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1Cl 22076743 SCDPXMZDZYFBNE-UHFFFAOYSA-N 446.374 6.270 0 40 IKAB CCOc1ccccc1NC(=O)c1c(N)c(C(=O)c2ccc(C)c(C)c2)n2ccccc12 27526353 LHSFHXMUCLGASZ-UHFFFAOYSA-N 427.504 5.020 0 40 IKAB C[C@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(NC(=O)Nc2ccccc2)cc1 32932864 MFQZNPIFVDFISG-ZDUSSCGKSA-N 435.958 5.085 0 40 IKAB Clc1ccc(Cl)c(Oc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)c1 33010822 ZQYXLRSDQVUMTP-UHFFFAOYSA-N 436.364 5.111 0 40 IKAB O=c1c2c(ncn1CCc1ccccc1)c1cc(F)ccc1n2Cc1c(F)cccc1Cl 35400375 CMCWEYCJOJCTMY-UHFFFAOYSA-N 449.888 5.574 0 40 IKAB 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](OC(C)=O)[C@@]21C 38300232 KNHGHMDIHVHLKX-DVZLRXIUSA-N 446.628 5.345 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38860408 GZGPLKQWEHCEET-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCc4ccccc43)n2-c2ccc(C)cc2)cc1 44086505 XXPASCXLHJKXEZ-UHFFFAOYSA-N 439.584 5.838 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 44903124 OMPXZHHYSDZJFW-UHFFFAOYSA-N 430.573 5.662 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(Cl)ccc1Cl 59268253 GSJPWVBHFRCIOB-UHFFFAOYSA-N 449.146 6.081 0 40 IKAB O=C(NCCc1cc(F)cc(F)c1)c1cnn(-c2cccc(C(F)(F)F)c2)c1C1CC1 60310307 UJHJXOSJOGECKL-UHFFFAOYSA-N 435.396 5.019 0 40 IKAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCC(Cc2ccccc2)CC1 71326425 CZXSAOBOEPEEGA-UHFFFAOYSA-N 426.973 5.338 0 40 IKAB CCn1c2ccccc2c2cc(NC(=S)Nc3ccc(OC(F)(F)F)cc3)ccc21 71761655 CUXOXWIBQRYGSR-UHFFFAOYSA-N 429.467 6.522 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCCC[C@@H]2c2cc(-c3ccc(F)cc3)cc(C)n2)cc1 72370040 VPFWOTDGJUMXME-RUZDIDTESA-N 431.511 5.522 0 40 IKAB Cc1csc(CCCNC(=O)Nc2ccc(F)cc2-c2nc3ccccc3s2)n1 84268270 NUOQIXSXRAIIGI-UHFFFAOYSA-N 426.542 5.622 0 40 IKAB CC1=C(CC(=O)Nc2ccc(O)cc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101477181 INXJGLQKAJFXIC-PTKAHWJQSA-N 447.531 5.625 0 40 IKAB O=C1/C(=C\Nc2ccc(F)cc2F)c2ccccc2C(=O)N1c1ccccc1C(F)(F)F 105898720 UWCBTJSSRLLBIE-VBKFSLOCSA-N 444.359 5.624 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 144630736 BBOICQJJBZIZIJ-HSZRJFAPSA-N 440.927 5.506 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccc3ccccc3c2Br)c1 218906049 PUOVUJKCQGBTTN-UHFFFAOYSA-N 442.309 5.105 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1cccc(OCc2ccccc2Cl)c1 219837589 QKPARXLUZUENTG-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222607236 NCJQPPPUVARMDG-ZJSXRUAMSA-N 440.653 5.075 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccccc2Cl)c1 223125286 UZTAWRZYFMKEEA-JWGURIENSA-N 438.980 5.230 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 223406193 KGDBYFCVFALHMS-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 223747061 LEKMTUBYWADFIR-ZWKOTPCHSA-N 446.395 5.091 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1 224113745 ALRXDTSWNJZVNH-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(C(C)C)cc2)c1 224136978 PLJJLSNEDBDBOY-BWAHOGKJSA-N 446.616 5.700 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 224232838 OQLLCRFRUXGBLA-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)C1CCN(Cc2cccc(Cl)c2Cl)CC1 224541963 JLMHBZPKFRTSPY-UHFFFAOYSA-N 439.386 6.096 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCC2)c1C 224563808 QAUWZAOSBACJHW-JWQCQUIFSA-N 446.620 5.801 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1cccc(Cl)c1 224671231 DESOTBZLNVLALV-INIZCTEOSA-N 433.379 5.012 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(SC)c3)o2)c(OC)c1 224934699 DFTPIJZWIOZHEQ-UHFFFAOYSA-N 446.528 6.000 0 40 IKAB O=C(Nc1ccccc1F)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224950892 VEEAEYHMTXKPKW-UHFFFAOYSA-N 437.268 6.163 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1F 225158873 ZNGFKKSIOMNAIA-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2cccc3ccccc23)c(OCC)c1 226325249 UFECHNQSQJTBPW-UHFFFAOYSA-N 429.310 5.757 0 40 IKAB Clc1ccc2c(c1)[C@@H]1Oc3ccc(Cl)cc3[C@@H]3Oc4ccc(Cl)cc4[C@H](O2)N13 230126835 FIMOUKLUPREBRQ-ACRUOGEOSA-N 432.690 6.522 0 40 IKAB O=C(N1CCC[C@H](Cc2ccnc3ccccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257268551 MMFAPPYYJRYIGR-NRFANRHFSA-N 446.566 5.294 0 40 IKAB NC(=O)c1sc2ncccc2c1[C@H]1CC[C@H](CNCc2ccnc3ccccc23)CC1 257314954 UZGUXJWZTDQMON-QAQDUYKDSA-N 430.577 5.007 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccc(OCc2ccccc2Cl)c(Cl)c1 408578137 VYLIFUBFYHNQFD-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CC(C)c1cc(Br)ccc1NC(=S)NC(=O)Cc1ccc(Cl)cc1 408594108 FQFZGYUSMPHELR-UHFFFAOYSA-N 425.779 5.282 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)CC1=O 408642370 OGYQDJZXAMTVPA-IBGZPJMESA-N 430.504 5.178 0 40 IKAB Cc1c(Br)ccc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)c1C 408664661 CUXUZBVTGLMQRI-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(Cl)cc2)cc1 408698836 PYEGNSVPZSEEID-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/c1ccccc1O 408840706 ZWQQWOYOKQUQSI-KPKJPENVSA-N 434.698 5.367 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)O)cccc4[C@@H]4[C@H]5CC[C@@H](C5)[C@H]34)cc2)cc1 409000884 NOFTVFLFTJTMDG-UVSMYHIZSA-N 439.555 6.569 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Br)c3)CC2)cc1 409054920 WJAGHFXBVORJNE-UHFFFAOYSA-N 443.385 5.238 0 40 IKAB CCOc1ccc(NCc2cc(Br)c(OCc3ccccc3)c(OC)c2)cc1 409113076 GLNLRLZKYZNJNV-UHFFFAOYSA-N 442.353 6.048 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccccc2Cl)c(C)c1 409118963 QTJAJTDXMCMACH-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB COc1ccc(C(=O)CSc2cc(C)nc(SCc3ccc(Cl)cc3)n2)cc1 786376 ARGGHFSFHCFQIP-UHFFFAOYSA-N 430.982 5.714 0 40 IKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(Cl)ccc4n3)o2)c(Br)c1 934736 IBPAVZAULBZDQS-UHFFFAOYSA-N 442.696 6.584 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)o2)cc1 1333636 YEWIGNLLIPWAJT-XMMPIXPASA-N 436.577 5.334 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C1CCCC1 1339948 FPUANEPIBXBNDX-KRWDZBQOSA-N 435.568 5.874 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)CCC2 1380060 NUXSGPGVWRMXKN-HSZRJFAPSA-N 434.561 5.277 0 40 IKAB CSC1=Nc2sc3c(c2[C@@H](SCC(=O)N[C@H](C)Cc2ccccc2)N1)CCCC3 2117781 CICZKHRHCRHJSN-JLTOFOAXSA-N 445.679 5.060 0 40 IKAB Cc1ccc(CNC(=O)c2c(N)n(-c3ccc(C)c(C)c3)c3nc4ccccc4nc23)cc1 2253684 JINXNBSHICAPGS-UHFFFAOYSA-N 435.531 5.011 0 40 IKAB Nc1c(C(=O)Nc2cccc3ccccc23)c2nc3ccccc3nc2n1-c1ccccc1 2292203 VKMYZQXGUJMCAZ-UHFFFAOYSA-N 429.483 5.561 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)c1ccc2ccccc2c1 2430415 MBOYDGUMMYEQMK-UHFFFAOYSA-N 439.515 6.202 0 40 IKAB CCc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 2691315 HHUQRLMQTQXHDS-UHFFFAOYSA-N 439.490 5.724 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2S[C@@H](C)c2ccccc2)cc1 2721738 KVSFYHPIHNXQJP-INIZCTEOSA-N 441.599 6.398 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(Oc2ccc(NC(=O)Nc3ccccc3)cc2)cc1 3192144 MZMLMCOUYVDSBM-UHFFFAOYSA-N 438.487 6.767 0 40 IKAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(CSc2ccc(Cl)cc2)cc1 3319341 PXHIDOFHDSVTOZ-UHFFFAOYSA-N 436.882 7.008 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)c1ccccc1 3399863 GZZYXKISGVSQJO-UHFFFAOYSA-N 428.271 5.020 0 40 IKAB CCOC(=O)c1c(Nc2cccc(OC)c2)nnc(-c2ccccc2)c1-c1ccccc1 6144182 ONWIBEXGJYXBKE-UHFFFAOYSA-N 425.488 5.740 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(Cl)cc4Cl)nc3c2)c1 6631296 IKEWPKGVNUSTSQ-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)c1ccccc1 8862440 VMFNSFWOAWMFOG-OAQYLSRUSA-N 432.549 5.229 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Cc1coc2cc(OC)ccc12 8878226 LCSYRBXDAULNJA-UHFFFAOYSA-N 439.899 5.126 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)Nc3c(C(=O)Nc4ccccc4)oc4ccccc34)oc2c1 8916374 CDAJXTUJDZDLOQ-UHFFFAOYSA-N 438.439 5.352 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=O)cc1 8918495 HSVRUODOWQRXHM-ZCYQVOJMSA-N 437.499 5.050 0 40 IKAB biogenic CC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccs4)c4ccccc43)c2C1 8974143 BWHJLSMXQINIPR-HNNXBMFYSA-N 439.602 6.599 0 40 IKAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1ccccc1Cl 9057531 FCQYMHHMHSHJMD-UHFFFAOYSA-N 443.728 5.916 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2cccnc12)c1ccccc1C(F)(F)F 9108429 SNJVQCIVVZJJFG-UHFFFAOYSA-N 443.356 5.490 0 40 IKAB Cc1c(Cl)cccc1-n1c(SCC(=O)N(C)c2ccccc2)nnc1-c1ccncc1 9283513 ZQDVXCALDDCTTF-UHFFFAOYSA-N 449.967 5.046 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1cccc(OCCC(C)C)c1 9409264 YCZVIVXSIWFFNP-VWLOTQADSA-N 433.552 5.553 0 40 IKAB COc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)CCCc1ccccc1 9413714 MUHNUXIICQMQEG-UHFFFAOYSA-N 428.488 5.655 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9464742 ASYQBHWBBHDSQO-HNNXBMFYSA-N 435.480 5.787 0 40 IKAB Cc1ccc(C2=NN(C(=O)CSc3ncnc4ccccc34)[C@H](c3ccco3)C2)cc1 9496548 LUMSQAVXSSZILA-NRFANRHFSA-N 428.517 5.001 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1ccsc1 9502121 DKVNNPORMLAYOQ-UHFFFAOYSA-N 447.629 5.832 0 40 IKAB O=C(CCC1CCCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518506 WXWOEQBQTVCSCJ-UHFFFAOYSA-N 448.519 5.755 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cccc(-c2nc3ccccc3s2)c1 9613600 DKBFBCZURUSEAR-FQEVSTJZSA-N 431.542 5.405 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(F)cc2)ccc1NC(=O)c1cc2ccccc2o1 9850164 FWKNIVOOLULYEO-UHFFFAOYSA-N 447.491 5.259 0 40 IKAB O=C(CSC(c1ccccc1)c1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 9949939 PAJHPYXKCYDMBJ-UHFFFAOYSA-N 430.573 5.174 0 40 IKAB CCC[C@@H](NCc1cc(Cl)c(OCc2ccccc2Cl)c(OC)c1)c1ccccc1 10436005 IGHYYHXTBZAACW-HSZRJFAPSA-N 444.402 7.212 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(Oc5ccccc5)cc4)n3)oc12 10748374 OEMDKICMRMOBLQ-UHFFFAOYSA-N 442.496 6.610 0 40 IKAB C=Cc1ccc(COc2ccc(-c3ncncc3Oc3ccccc3OCC)c(O)c2)cc1 11866355 WNEYTTVOCJJYGP-UHFFFAOYSA-N 440.499 6.262 0 40 IKAB biogenic Cc1ccccc1CC(=O)N1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1 12160778 WCKFLZIELMIGRP-RLLQIKCJSA-N 448.533 5.084 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc2ccccc2c(=O)s1 12274392 YLVOTLOORFJOMP-UHFFFAOYSA-N 435.526 5.419 0 40 IKAB Cc1ccccc1C(=O)Nc1c(S(=O)(=O)c2ccc(F)cc2)c(C)c(C)n1C(C)C 12408451 MHBBSBRHNKAUKV-UHFFFAOYSA-N 428.529 5.218 0 40 IKAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 12412447 NWNQOAZCDWMOGB-FBERJCFSSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1nc2c(s1)CCCC2 12542328 NHYKWFDGVKDJQY-INIZCTEOSA-N 431.911 5.769 0 40 IKAB C[C@H](Sc1nn(-c2ccccc2)c(=S)s1)C(=O)Nc1ccc(F)cc1Cl 12569377 GCPUHGZRUZJVGW-JTQLQIEISA-N 425.963 5.575 0 40 IKAB N=C1c2ccccc2CN1c1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 12592109 MTNDMESJVXSNEV-UHFFFAOYSA-N 432.332 5.140 0 40 IKAB CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 12653958 OLBNGLBVDWDALE-RHRZQWJXSA-N 441.568 5.380 0 40 IKAB biogenic CCOc1ccc(/N=c2\cc(-c3ccc(OCC)cc3)cc(OC)c3c(C)oc(C)c23)cc1 12862765 RGLNKSHJLWAABL-XLVZBRSZSA-N 443.543 6.755 0 40 IKAB biogenic FC(F)(F)c1cccc(CSc2nc(SCc3ccccc3)nc3ccsc23)c1 12960132 PTGGRZDTUGLCOR-UHFFFAOYSA-N 448.560 7.295 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1cccs1 13025564 VIMIVZWCMBDDIQ-QHCPKHFHSA-N 436.577 5.135 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC[C@H](c2cccs2)c2c[nH]c3ccccc23)c1C 13128416 KFLIWZASLSTNTD-JXFKEZNVSA-N 433.577 5.370 0 40 IKAB COc1cc2c(c3oc(=O)c(CC(=O)Nc4ccccc4Cl)c(C)c13)CCC(C)(C)O2 13688710 SGQBVQVRHAFOLM-UHFFFAOYSA-N 441.911 5.048 0 40 IKAB CN(C)c1ccc([C@@H](CC(=O)c2ccccc2)Sc2ccc(Cl)c(Cl)c2)cc1 15023763 OJQZBDOGEZTBIJ-HSZRJFAPSA-N 430.400 7.166 0 40 IKAB COc1cc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)ccc1OC(=O)c1ccc(C)cc1 15945282 DJNLNGTTYFWUAH-JOCHJYFZSA-N 448.544 5.017 0 40 IKAB COc1cc(C(=O)NC[C@@H](SCc2ccccc2)c2ccccc2)cc(OC)c1OC 16195217 BOKUJBNYGKNEGN-HSZRJFAPSA-N 437.561 5.117 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@@H](C)CC)ccc4o3)c2)cc1Cl 16610802 GUYJYODRJZFIAR-INIZCTEOSA-N 448.950 7.313 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(N3C(=O)c4ccccc4C3=O)c2)cc1 17095827 QOQRGZOEGIIQAJ-QGZVFWFLSA-N 428.488 5.018 0 40 IKAB CCc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 17097852 AYWYPJNRMRUKCA-UHFFFAOYSA-N 432.348 6.005 0 40 IKAB CCOc1c(Br)cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc1OC 18917650 VNWOCPNBYFYHKZ-QPEQYQDCSA-N 441.734 5.705 0 40 IKAB CCOc1ccc(CCC(=O)N2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1 19533102 ATTXCCLNFKKRKG-QGZVFWFLSA-N 443.494 5.206 0 40 IKAB Cc1cc(OCc2ccc(C(=O)Nc3nc(-c4ccnn4C)cs3)o2)cc(C)c1Cl 19637332 YDCKIAFZGNUFHE-UHFFFAOYSA-N 442.928 5.238 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1cc(Cl)ccc1Cl 21966915 MZMQPOFCHXQMMP-UHFFFAOYSA-N 443.286 5.041 0 40 IKAB Cc1cccc(-c2c(C(=O)Nc3ccccc3C)c(C)nc3sc4c(c23)CC[C@H](C)C4)c1 22388148 UZRCLDRANBWGND-KRWDZBQOSA-N 440.612 7.266 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3nc(-c4ccccc4)c(C)s3)n2)c(C)c1 22528906 DZNYESZAIHGZFK-UHFFFAOYSA-N 449.623 7.872 0 40 IKAB COc1ccc(CN(C(=O)c2oc3ccc(Cl)cc3c2C)c2ccccn2)cc1OC 27663609 TVBJQAPXXNIXDN-UHFFFAOYSA-N 436.895 5.654 0 40 IKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2c(C)cccc2C)cc1 28288736 KSKWTFYFQYTXOY-AREMUKBSSA-N 428.532 5.420 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(F)cc3)c12)N1CCC(c2ccccc2)=N1 28720140 LJNBNYRHSCHTHU-UHFFFAOYSA-N 448.548 5.226 0 40 IKAB Cc1ccc(NC(=O)c2cc(Br)c(Br)s2)c2cccnc12 31094037 OJKYGQGDJBNFPN-UHFFFAOYSA-N 426.133 5.382 0 40 IKAB COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl 32578566 NUJDSHWVEDLQFW-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1-c1ccccc1 32686108 HHNKXCJRAVMKAV-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)n1c(=O)c(C(F)(F)F)nc2ccccc21 32801696 GTGJPUFGBVXCPC-HNNXBMFYSA-N 437.421 5.282 0 40 IKAB O=C(CCCc1nc2ccccc2s1)NC[C@H](c1ccccc1Cl)N1CCCC1 32988534 QTMUKPSFQAKAGY-HXUWFJFHSA-N 428.001 5.226 0 40 IKAB CCOc1ccc(-c2ccc(SCc3nc(-c4ccc(SC)cc4)no3)nn2)cc1 33022028 UIDYNWZTUIYOCH-UHFFFAOYSA-N 436.562 5.607 0 40 IKAB O=C(Cn1c(COc2ccc3ccccc3c2)nc2ccccc21)Nc1cccc(Cl)c1 40301248 JFBPTLJUBRERRZ-UHFFFAOYSA-N 441.918 6.061 0 40 IKAB COc1ccc([C@H]2CCCCCN2Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 57289832 BQJXWRWYBGJDHP-LJQANCHMSA-N 435.549 5.371 0 40 IKAB Cc1c(C(=O)N(C)Cc2ccccc2N2CCCC2)cnn1-c1cccc(C(F)(F)F)c1 58565862 IUPIJDATWVULNX-UHFFFAOYSA-N 442.485 5.072 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)ccc1OCc1cccc(C)c1 59195398 WAAHZWVHFMUNPF-HMAPJEAMSA-N 447.918 5.971 0 40 IKAB CCc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 64950077 VHRFLSLUPDNWNF-UHFFFAOYSA-N 428.879 5.319 0 40 IKAB CC(C)Oc1ccc(CC[C@H](C)NC(=O)N[C@@H](C)CCc2ccc(OC(C)C)cc2)cc1 65492618 VABDKDAHNXROHK-VXKWHMMOSA-N 440.628 5.903 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(Cl)cc4)nccn3n2)cc1 67290429 VQYKUJCXWCAUJI-UHFFFAOYSA-N 438.940 5.179 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)CC2CCCC2)c2ccccn2)C1 72330449 JOEJFBSVOQAJAR-VOUDCSDKSA-N 431.624 5.635 0 40 IKAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358208 QCUIIEQVCSWHHD-JOCHJYFZSA-N 443.469 5.202 0 40 IKAB Cc1cc(-c2cncnc2)cc([C@@H]2CCN(C(=O)c3oc4c(C)c(C)ccc4c3C)C2)n1 72374692 CLEAWRPMHOJRIJ-LJQANCHMSA-N 426.520 5.148 0 40 IKAB C[C@H]1CCCC(=O)CCC/C=C/c2cc3c(c(O)c2C(=O)O1)[C@H](c1ccccc1)CC(=O)O3 72404465 OUITXBPQJQRTKX-FHLNYQECSA-N 448.515 5.315 0 40 IKAB O=C(NCc1nc2ccccc2s1)c1ccc(Oc2ccccc2Br)nc1 84603474 JEQDFSURPKLNAO-UHFFFAOYSA-N 440.322 5.176 0 40 IKAB COc1ccc([C@@H]2C=C(Nc3ccc(C)cc3C)C(=O)N2c2ccc(C)cc2C)cc1OC 103678083 WKEQUWLVMNMMFD-VWLOTQADSA-N 442.559 6.021 0 40 IKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@H]4C[C@@H](C[C@H]4c4ccccc4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104091520 YHGCWRHZHLHVPR-VCKDATNZSA-N 443.028 6.888 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCc1ccc(Br)cc1 108086892 DZAOEKKWOZSUAG-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C[C@H](O)C(F)F)CC[C@H]4[C@@H]3CC[C@@H]2C1 118935213 ITDMQPFKAISKOA-QOJKLTRISA-N 440.571 5.162 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)/C=C/CC(C)C)C1 123241587 CJUZRVVXJPNXNH-PZXUXOGXSA-N 426.685 7.736 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccc(Br)c(Cl)c2)cc1OCC 216353217 UEHZVQBTIHXQCN-UHFFFAOYSA-N 426.738 5.471 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 222695714 XDDYWGCLMMVZHF-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223134135 OGJSRTKSWHYDLM-HSZRJFAPSA-N 429.004 5.242 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 223308029 DNDJXWJBFQXXAP-JOCHJYFZSA-N 429.004 5.303 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 223344745 FHKBJLRPFCYOFQ-JOCHJYFZSA-N 445.003 5.058 0 40 IKAB Cc1cccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCOCC3)cn2)c1 224014383 LZJFZWXHJMEBPK-UHFFFAOYSA-N 432.593 5.168 0 40 IKAB COc1ccc(OCc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2OC)cc1 224272758 KPYOJQPZGFBZLL-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224284368 DNAZASPTTCOQBP-IBGZPJMESA-N 437.967 6.344 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2cccnc2)cc1 224330195 GIJYSOVURPOJHD-DQEYMECFSA-N 439.588 5.066 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C1CC1 224360836 CQMLOLCXICVOJD-RPBOFIJWSA-N 430.621 6.135 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c(C)n1C(C)C 224461751 OQWDJTXTNTULSI-VXKWHMMOSA-N 425.001 5.911 0 40 IKAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 224598426 PGRXIVSWKKHLPO-UHFFFAOYSA-N 425.594 5.378 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224626013 HOOBILPXWXYLNH-HSZRJFAPSA-N 429.004 5.161 0 40 IKAB CC(C)(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c1 224865879 FEYGUVDSBJFYMJ-VQTJNVASSA-N 426.973 5.174 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)cc3C)o2)c(OC)c1 224931198 VWPDSJOSRMVZKN-UHFFFAOYSA-N 428.488 5.895 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225306757 QLTCNCUMKMHDJF-ZWKOTPCHSA-N 449.422 5.485 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225493717 HGLVDJIVJLZXKH-NFBKMPQASA-N 426.626 5.118 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225587019 XQNUDGIKKATRBA-UWJYYQICSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cccc(C)c1C 225612251 TVVCRXKIXJXPMQ-AVRDEDQJSA-N 445.003 5.058 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1)c1ccc(C)cc1 225634437 SKKBMVAVNOGOFI-NRPPHEFGSA-N 434.561 5.104 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c(C)c1 225751300 IVNHOWOMFTUDNY-INIZCTEOSA-N 430.570 5.017 0 40 IKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](CC[C@]12C)[C@@]1(C)CC[C@@H](C(=O)O)C[C@H]1C[C@H]3C(=O)O 253617585 XFIVUTDYPVXBJS-WNHMVEODSA-N 448.600 5.158 0 40 IKAB CCc1ccc(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)cc1 408673662 XKPJFKUGTNEXDC-OAQYLSRUSA-N 427.544 5.533 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2cccc(C)c2)cc1 408699438 UGHATBLLYRSCTC-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)c(C)c2)c1 408699766 WDFZFZKNYHOXTI-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cccc(Cl)c3)cc2)cc1 408701953 IBKZYYKXRQEHJM-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)cc1C 408906276 FCXRWBYYRUBDQU-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCOc1ccc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)c2c(OCC)cccc12 409104508 FNGSWCPSDNKZSG-PDGQHHTCSA-N 427.422 6.149 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc(Br)cc2CNc2ccccc2)cc1 409115523 JLHWXSNIROTSKC-UHFFFAOYSA-N 432.339 5.137 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)cc1 409178094 JHWPPKBHFWHHNA-WBRURWICSA-N 438.549 5.156 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(CN(c2ccccc2)S(C)(=O)=O)cc1 409326780 ODHPQPKTWVVJJA-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409352280 UZBSQBKNIBHRSG-LPYMAVHISA-N 446.528 5.140 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccccc3)ccc2Cl)cc1C 409381874 OKEPISRXGSRBOU-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB C[C@H]1COc2ccccc2CCCCC2(CCN(Cc3ccc(Cl)cc3)CC2)C(=O)N1 643563592 DOPQWTNXIBGTNT-FQEVSTJZSA-N 441.015 5.232 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3)n2Cc2ccccc2)cc1 874108 DGRIIWQWALHTJR-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)c4ccc(Br)cc4)sc3nc2C1 1298977 WYJQPVKYRXGPER-UHFFFAOYSA-N 429.339 5.027 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(Cl)c(=O)n(Cc2ccc(Cl)cc2)c1 1400096 SZSJURBUCFQJPH-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1SCCC(F)=C(F)F 1402588 DBVJCLVBDIHOKI-UHFFFAOYSA-N 430.451 6.686 0 40 IKAB COC(=O)c1c(C)n(CCOc2cc(C)ccc2C(C)C)c2c1cc(O)c1ccccc12 1440219 AKXNVGKQSLVZMW-UHFFFAOYSA-N 431.532 6.106 0 40 IKAB O=C(c1ccc(Cl)cc1)N(C(=S)N1CCN(c2ccccc2)CC1)c1ccccc1 1635189 ODFWILWVXGXJRJ-UHFFFAOYSA-N 435.980 5.094 0 40 IKAB CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccc(C)c(C)c2)c2ccccc2)cc1 1863148 GFMVMEJVXMHRIQ-NDEPHWFRSA-N 443.543 5.752 0 40 IKAB O=C(CSc1nnc(CN2c3ccccc3Sc3ccccc32)o1)c1ccccc1 2180831 XZLIJFPJRSLRLM-UHFFFAOYSA-N 431.542 5.848 0 40 IKAB CCCCCOc1ccc(/N=c2\ssc3c2-c2cc(OC)ccc2NC3(C)C)cc1 2296849 KHHDAKSIMPJKAM-BZZOAKBMSA-N 440.634 6.947 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2cccc(F)c2)n1 2392966 UKNMIFCGWGLNBT-QGZVFWFLSA-N 426.856 5.100 0 40 IKAB CCc1cc2c(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)ncnc2s1 2623107 BVSFBABTRFFXPW-UHFFFAOYSA-N 431.892 5.657 0 40 IKAB S=c1n(CN2CCc3ccccc3C2)nc(Cc2cccs2)n1CCc1ccccc1 2624112 IHRYQYSESVLNKU-UHFFFAOYSA-N 446.645 5.325 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799574 WSFDSKGUCKBAPV-CQSZACIVSA-N 447.482 5.680 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 3012871 LCFBKBPNDGPVOP-HIFRSBDPSA-N 444.335 5.408 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1CS(=O)(=O)c1ccc(Cl)cc1 3133630 OGQYUOXPSXGJOB-UHFFFAOYSA-N 445.323 5.945 0 40 IKAB Cc1cc(C)n2c(SCC(=O)Nc3ccc(N(c4ccccc4)C(C)C)cc3)nnc2n1 3222899 YZSPHPCCMMSYIC-UHFFFAOYSA-N 446.580 5.018 0 40 IKAB Cc1sc2ncnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)c2c1C 3253431 HUIKYYJOYANYKL-MRXNPFEDSA-N 445.997 5.275 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)cc1 3278965 ZBBBQIUTTDSKMC-OQLLNIDSSA-N 425.359 7.192 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1cccnc1Sc1ccc(Cl)cc1 3425113 AUVWXSCKNFMXFK-UHFFFAOYSA-N 430.960 6.729 0 40 IKAB O=c1oc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)nn1Cc1ccccc1 4105421 UKTJAIPHPNWQDK-UHFFFAOYSA-N 427.287 5.437 0 40 IKAB Brc1ccc(-c2csc3ncnc(SCCc4ccccc4)c23)cc1 4291032 XALJOZGQSMMCRJ-UHFFFAOYSA-N 427.392 6.456 0 40 IKAB O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1S(=O)(=O)c1ccc(Cl)cc1 8753529 VAFLHUXTCODXQV-UHFFFAOYSA-N 430.312 5.335 0 40 IKAB O=C(Nc1ccc(Cl)cc1)n1ccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1 8781630 WZTQOADWNBOYJA-AATRIKPKSA-N 427.213 5.854 0 40 IKAB Clc1ccc(OCc2nc3ccccc3n2Cc2cccc3ccccc23)c(Cl)c1 8860246 PWUNKAJQNQSBBJ-UHFFFAOYSA-N 433.338 7.124 0 40 IKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2Cc2ccc(Cl)cc2Cl)cc1 8860258 HTOGRFXRJIVNRB-UHFFFAOYSA-N 439.386 7.268 0 40 IKAB CCCCOC(=O)c1c(C)oc2cc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)cc12 8870329 NQTKNQMMXBDHRX-UHFFFAOYSA-N 435.929 5.461 0 40 IKAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1 8875938 XYPGEKJEYZQRSM-UHFFFAOYSA-N 433.562 5.010 0 40 IKAB C[C@@]1(c2ccc3ccccc3c2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8887245 FBTNQINPZNPNSZ-NDEPHWFRSA-N 434.495 5.157 0 40 IKAB CCCCCOC(=O)CSc1ncnc2c1sc1nc(CCC)c3c(c12)CCCC3 9008835 VGMDLLRVCLMZOU-UHFFFAOYSA-N 443.638 5.896 0 40 IKAB CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1[C@H](C)Oc1ccccc1 9096327 KRYHAVGPABFHBX-KRWDZBQOSA-N 434.565 5.388 0 40 IKAB Brc1ccc2c(c1)[C@@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1)O2 9185278 JYWZLYAXJZWTRI-CVDCTZTESA-N 449.304 5.420 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 9191351 QDBHHIFPYJLHRN-NJDAHSKKSA-N 439.298 5.045 0 40 IKAB Cc1ccccc1-c1nc2c3c(ncn2n1)Oc1c(ccc2ccccc12)[C@H]3c1ccccc1 9209699 ZYHVEYSWOARZQA-XMMPIXPASA-N 440.506 6.539 0 40 IKAB CCCn1c(-c2ccccc2)c(NC(=O)c2ccc(Cl)cc2)s/c1=N\c1ccccc1 9348279 SUNITKUYAASQFF-RFBIWTDZSA-N 447.991 6.765 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2Cc2ccco2)cc1 9410397 NDPBEGVCXLIQRC-UHFFFAOYSA-N 440.503 5.550 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)cc1OC 9518448 QKRYGVXTTODYRN-UHFFFAOYSA-N 444.487 5.192 0 40 IKAB CCCN(C(=O)Nc1cc(C)ccc1C)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9607089 FBICOLIAOYSOPE-UHFFFAOYSA-N 447.648 7.923 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCC(=O)Nc3cccc(C)c3C)c2n1 9632375 MZBXCAQLLQCPJG-UHFFFAOYSA-N 447.318 5.028 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9633193 RNNVXGNIROXKGI-UHFFFAOYSA-N 440.572 6.060 0 40 IKAB Cc1ccc(-c2nc(-c3ccc(Cl)cc3)[nH]c2SCC(=O)NCc2ccco2)cc1 9674114 HQTBBZJHPWXMDQ-UHFFFAOYSA-N 437.952 5.707 0 40 IKAB CC(C)n1ncc2c(C(=O)N3CCC(c4nc5ccccc5o4)CC3)cc(C3CC3)nc21 9835648 SZTQRAONKFUSAP-UHFFFAOYSA-N 429.524 5.051 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2)o1)C(=O)Nc1ccccc1-c1ccccc1 9949255 NVQNMMZGOXXATJ-HNNXBMFYSA-N 435.936 6.176 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 10060253 SSXJTCZLQCZTIG-NRFANRHFSA-N 430.888 5.099 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2C)cc1 10333225 MBKWMAMBBRSISO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc(C)c(N([C@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)S(C)(=O)=O)c1 10362217 QXLULYNVYBHQFP-GFCCVEGCSA-N 449.787 5.057 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)CC1 12062489 PAHRSXSFUWTVSY-JVPYDEADSA-N 447.685 5.496 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)c3ccc(Cc4ccccc4)cc3)sc2c1 12140915 LPEDDEBCEKDSTC-UHFFFAOYSA-N 443.616 5.794 0 40 IKAB COC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)cc1 12250918 IXLOCMPCVLHZAK-UHFFFAOYSA-N 437.908 5.238 0 40 IKAB Cc1cccc(OCCCC(=O)Nc2nc(-c3ccccc3)c(-c3nccn3C)s2)c1 12749978 FNKCLQYQPQQMTE-UHFFFAOYSA-N 432.549 5.317 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)CCc1nc2ccccc2n1-c1ccccc1 13040563 GLEIROLEVKMROH-UHFFFAOYSA-N 441.531 5.263 0 40 IKAB O=C(CSC1=Nc2ccccc2[C@H]2CC=NN12)Nc1cc(Cl)c(Cl)cc1Cl 13129581 JLVOQBZNWIGIRC-MRXNPFEDSA-N 439.755 5.752 0 40 IKAB Cc1cccc(C)c1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13498412 HHGMMBQOSQOIRP-SANMLTNESA-N 446.616 5.741 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2cc(-c3nc(-c4ccc(Cl)cc4)no3)nn12 13644855 DTHDOWXEQMQEOQ-UHFFFAOYSA-N 441.800 5.786 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(Cl)cccc1Cl 13709197 JQEQNAYEBPCGND-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)c(OCC)c1 14132338 LJENCJOOYVCDPX-OEAKJJBVSA-N 433.529 5.874 0 40 IKAB O=C(Cn1nc(CNc2ccc(Cl)cc2)n(-c2ccccc2)c1=S)c1ccccc1 16768964 DNNVLODZTRSGAX-UHFFFAOYSA-N 434.952 5.552 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)cc1 17099264 SKRAELKIZDVXIY-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB C[C@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)c(Cl)c1 17963076 HVHLFWMCUXGNKD-LBPRGKRZSA-N 431.348 5.344 0 40 IKAB O=C1S/C(=C/c2ccc3c(c2)OCO3)C(=O)N1CNc1ccc(-c2ccccc2)cc1 19202103 FYRWTGIUQMMZDK-LPYMAVHISA-N 430.485 5.188 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2cccc3ccccc23)cc1 19631720 RTPOKEDURKQQOT-UHFFFAOYSA-N 440.499 5.024 0 40 IKAB O=C(C[C@@H]1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 19962053 YTCACZRTMDGIBQ-JOCHJYFZSA-N 448.954 5.497 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@H](c2ccsc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 20058912 COHPOYDSHRYTHU-ZHRRBRCNSA-N 431.517 5.577 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CSCc3ccccc3)c2)cc1 20458177 HIIFZGMKKTXGTF-UHFFFAOYSA-N 432.589 6.108 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(Cl)cc2)C4)cc1 20632611 VDUVKVFJXRYDCO-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB COc1ccc(-c2nc(CC(=O)N3CCc4[nH]c5ccc(Cl)cc5c4C3)cs2)cc1 20738599 ZBICWXWCJVTRMB-UHFFFAOYSA-N 437.952 5.081 0 40 IKAB biogenic O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccccc1Br 22053613 QTFHOWSPXGMOHP-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CC(C)(C)c1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 23227787 PKVGNBXBDWIRQV-UHFFFAOYSA-N 440.631 5.851 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)N[C@@H](c1ccc2c(c1)CCCC2)c1cccs1 24278607 AEQVHOKQGOWWQF-UPVQGACJSA-N 448.613 5.336 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1cccc(NC(=O)[C@H]2CCCO2)c1 24831073 DRZMQXUMFKIBRS-JOCHJYFZSA-N 436.895 5.502 0 40 IKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cc(Br)ccc1Cl 32127820 VGNSILJXBVJKGB-UHFFFAOYSA-N 436.545 6.271 0 40 IKAB Cc1ccc2c(c1)c(O)nc1c(C(=O)Nc3ccc(-c4ccccc4)cc3)sc(=S)n12 32946505 HQSBBFLANMTLBL-UHFFFAOYSA-N 443.553 6.212 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccc(-c2cc([N+](=O)[O-])ccc2Cl)o1 33374923 XIAXKIZHPQHPEQ-GOSISDBHSA-N 449.916 5.051 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)C2CCN(c3nc4ccccc4o3)CC2)cc1 36391333 CPKOFJMWZLTIJF-QHCPKHFHSA-N 433.552 5.197 0 40 IKAB CCc1oc2cc(O)ccc2c1C(=O)c1cc(Br)c(O)c(Br)c1 38518209 FEXBXMFVRKZOOZ-UHFFFAOYSA-N 440.087 5.162 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 44880346 OJGPQYCXDNEPQJ-QHCPKHFHSA-N 442.481 5.365 0 40 IKAB O=C(NCc1ccco1)Nc1ccc2oc(-c3cc(F)ccc3Br)nc2c1 71798592 PTGXDCPHUJLTGA-UHFFFAOYSA-N 430.233 5.311 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@@H]2CCCN2C(=O)c2cccc(C)c2OC)n1 72390641 DIORAKOPHNSMMR-QFIPXVFZSA-N 430.552 5.094 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2C)ccc1OCc1c(F)cccc1Cl 95472042 PZXYZNISRCOYKZ-UHFFFAOYSA-N 443.902 6.076 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccco3)[C@@H](c3ccc(Cl)c(F)c3)C2)c(OC)c1 95945167 VDVCXAFGYOENFH-LJQANCHMSA-N 428.847 5.081 0 40 IKAB O=C(Oc1cccc(C(F)(F)F)c1)c1cccnc1Oc1cccc(C(F)(F)F)c1 96196300 SSCPUGXOCAVZFZ-UHFFFAOYSA-N 427.300 6.131 0 40 IKAB Cc1ccc(N[C@H]2SC=C(c3ccc(Cl)cc3)N2CCCN2CCOCC2)c(C)c1 103206235 MOORLJODRJFZNJ-XMMPIXPASA-N 444.044 5.422 0 40 IKAB Cc1cccc(OCc2n(CC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)c3ccccc3[n+]2C)c1 103796941 UMEWCIAJSNIUJY-RZPFDVGOSA-N 449.615 5.357 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1C 107027344 XTEUNZMDTCCIEZ-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1sc2cc(Cl)ccc2c1Cl 108028559 RLUHKXPJCIHEBE-UHFFFAOYSA-N 425.768 6.714 0 40 IKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3C=C[C@@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118936199 ZUXCJTMUJNGXDG-KNKKRCMWSA-N 430.629 5.942 0 40 IKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc(Cl)c1OCC 222661662 UIVBBVXNWZSUCK-UIAACRFSSA-N 431.989 5.512 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 222715116 NQTYERVWMZZXBT-URZJWIJPSA-N 433.533 5.328 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 222801026 AFDJVZDWYNKPEP-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 223078702 PNIOYZUGBJVXOO-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 223778284 CJSYFYQHKXRBIU-QHCPKHFHSA-N 445.003 5.223 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 223961021 KBBAEKZFYXMOPD-UHFFFAOYSA-N 426.513 5.004 0 40 IKAB Cc1cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)c(Br)c1 223986480 GUHHNWHONCPLHX-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC(C)(C)C)cc1 224080948 NKNYGIJOGHPXQT-LJQANCHMSA-N 426.576 5.214 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1 224553729 CTLFSYHOOFNRCE-UHFFFAOYSA-N 444.940 5.182 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccccc1C(C)C 224565518 OMDLOEMBVNOBHD-UHFFFAOYSA-N 437.967 7.002 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(C)cc1 224575342 DZWCUURLTPCAGX-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)cc3OC)o2)cc1 224919754 PFRPENYKJJZVIT-UHFFFAOYSA-N 444.487 5.677 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCCCC4)cc3)CCCC2)cc1 225513459 DBIMTTKODXZUGJ-UHFFFAOYSA-N 434.624 6.090 0 40 IKAB CCN(CC)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1 225550626 RWIZUBFVPAZBHF-UHFFFAOYSA-N 429.004 5.901 0 40 IKAB O=C(O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(I)c1 226334101 AVNCDMGQYHAQHE-ZZXKWVIFSA-N 449.071 5.275 0 40 IKAB OCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 236503497 XKMOMMYCVMYVJM-UHFFFAOYSA-N 440.946 5.590 0 40 IKAB C[C@@H](c1ccncc1)N1CCC[C@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 257253343 JYNCIIWGLXPXPJ-KSSFIOAISA-N 443.498 5.770 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@H]4C)cc3)CCCCC2)c1 260817039 UZMZYMAPKLIZPQ-XMMPIXPASA-N 448.651 6.479 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(OCc2ccccc2)cc1 408546071 QESNZBVLVCXICY-UHFFFAOYSA-N 442.378 5.900 0 40 IKAB CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(Cl)cc1 408563242 UXMTXZHGWGBFFY-PNHLSOANSA-N 443.056 6.486 0 40 IKAB Cc1cc(Br)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)cc1C 408595811 OPZIXLFBQSPXOF-UHFFFAOYSA-N 432.170 5.500 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1NC(=O)c1ccc(Cl)cc1 408611285 VSHFBOOZDKMFNT-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(N(Cc2c(F)cccc2Cl)S(=O)(=O)c2ccc(OC)cc2)cc1 408628147 UWOKDEXAHKVAMC-UHFFFAOYSA-N 449.931 5.282 0 40 IKAB O=C(O)/C(=C/c1cccc(Cl)c1Cl)Sc1nnc(-c2ccc(Cl)cc2)o1 408632711 HKTBNPSNWDCENE-JYRVWZFOSA-N 427.696 5.915 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1 408682636 KXTLATYHEFPIFE-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)c(C)c2)c1 408696353 AEYFQDZIHWLILV-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccccc3)c(Cl)c2)C1=O 409128822 SNDMMSBIUJZXDA-GZTJUZNOSA-N 438.332 5.255 0 40 IKAB Cc1ccc(NC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc1Cl 409182110 IFECCXRKEOHDBS-UHFFFAOYSA-N 430.729 6.242 0 40 IKAB CC(C)(C)OC(=O)N1CCC([C@@H](c2c(F)cccc2Br)n2ccnc2)CC1 725327726 DMJREUQVISNZHS-SFHVURJKSA-N 438.341 5.021 0 40 IKAB CC(C)(C)P(c1ccccc1[C@H](N[S@](=O)C(C)(C)C)c1ccccc1)C(C)(C)C 1857795117 NOTCXERCVBXXDA-KPURRNSFSA-N 431.626 6.532 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3sc(C)c(C)c3C(N)=O)c3ccccc3n2)cc1 669423 PFEWZAZFCDORED-UHFFFAOYSA-N 445.544 5.330 0 40 IKAB CC[C@@H](C)NC(=O)c1cc2nc(-c3ccc(Cl)c(Cl)c3)cc(C(F)(F)F)n2n1 670427 FSONJZZLZZCRID-SECBINFHSA-N 431.245 5.250 0 40 IKAB Cc1ccc2cc(C)c3nnc(SCC(=O)Nc4ccccc4C(F)(F)F)n3c2c1 903029 MDVYBIDZZRHBSA-UHFFFAOYSA-N 430.455 5.249 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C(=O)Nc3ccccc3OCC)ccc2Cl)cc1 1006647 JLGJXCOGJOZIDB-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCCC2)cc1 1224188 KNXMPTBDHJGXMT-UHFFFAOYSA-N 449.620 5.767 0 40 IKAB COc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCCC4)cc1 1299048 FJBOIPZUUMCQCH-UHFFFAOYSA-N 449.601 6.137 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 1327644 QHYZAQNRBJVLLX-UHFFFAOYSA-N 437.515 5.433 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)c3cccc(OC)c3)cc2c1 1359348 QNCQIXRTDQXMDI-UHFFFAOYSA-N 440.543 5.250 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)Cc1cc2cccc(C)c2[nH]c1=O 1378215 QFXDCLOJKZZWPZ-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB CCOC(=O)c1c(-n2cccc2)c2ccccc2n1-c1ncc(C(F)(F)F)cc1Cl 1400596 BRKCTNLMFCEXOD-UHFFFAOYSA-N 433.817 5.665 0 40 IKAB O=C(Nc1nc(-c2ccc(Br)cc2)cs1)c1cccc(Br)c1 1511396 HZLXICILCDPKNK-UHFFFAOYSA-N 438.144 5.587 0 40 IKAB c1ccc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5ccccc5)c4)c3)c2)cc1 1687816 KOKDSALTQSQPDH-UHFFFAOYSA-N 446.502 8.856 0 40 IKAB biogenic,in-vitro O=C(Nc1ccccc1Cl)c1cc(-c2cccc(Br)c2)nc2ccccc12 2083982 YJEGTQNTLZFRJQ-UHFFFAOYSA-N 437.724 6.570 0 40 IKAB COc1ccccc1-c1nc(C(=O)NCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 2112890 PAHFSTZCOSDDKR-UHFFFAOYSA-N 425.463 5.461 0 40 IKAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)c4ccc(F)cc4)c23)CO1 2222458 CTBAONBLGFLLDY-NRFANRHFSA-N 448.610 5.769 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 2256486 QUCLTTRYVNDGBS-PKTZIBPZSA-N 442.519 5.699 0 40 IKAB CC(C)(C)c1cc(C2=NO[C@H](c3ccccc3)N2c2ccccc2)cc(C(C)(C)C)c1O 2294889 ZDICBPCJPFAEAQ-AREMUKBSSA-N 428.576 6.884 0 40 IKAB CCCCc1ccc2nc(NC(=O)c3cc(-c4ccccc4)nc4ccccc34)sc2c1 2618758 REMXYTRKFHEPBE-UHFFFAOYSA-N 437.568 7.106 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc(Cl)c4)c3n2)c(OC)c1 2649287 JTHPAPYEGZNCQV-UHFFFAOYSA-N 447.844 6.085 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)c3ccc(C(C)(C)C)cc3)c2C(=O)OC)cc1 2889715 DCMKFLYEIMFTBB-UHFFFAOYSA-N 437.561 6.150 0 40 IKAB CCCc1ccc(C(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2Cc2ccccc2)cc1 3287085 QZZSRXLHZYENMZ-IBGZPJMESA-N 442.584 5.761 0 40 IKAB CN(C)CC(C)(C)CN[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 3434595 XMOHMCJLCJJPRG-LJQANCHMSA-N 441.925 5.216 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1F 6297423 KMTHQEZRZJLHQS-UHFFFAOYSA-N 437.521 5.238 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 8442221 IUEONDMREDACST-OOICKAIWSA-N 446.660 7.644 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3cccc(C)c3C)C2)nc2ccccc21 8758157 QXJDZPJQPVLJFD-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2cccc(-c3csc(C)n3)c2)cc1 8780282 MLPVWOMTOQKJQD-UHFFFAOYSA-N 435.578 5.047 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 8831900 ZFRWLOFCADBBPX-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB Cc1cc(NC(=O)CSc2nnc(-c3cccs3)n2C2CC2)ccc1Br 8901885 AFFBTTSIQPMAHL-UHFFFAOYSA-N 449.399 5.143 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(C(C)C)cc2)N(c2ccc(F)cc2)C3=O)cc1 8987782 MWGXYWRSIGPNMJ-AREMUKBSSA-N 425.507 6.397 0 40 IKAB CSc1nc(N2CCCC[C@@H]2C)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9013598 IFUPROQWCSHHBO-ZDUSSCGKSA-N 436.606 6.089 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)CC12CC3CC(CC(C3)C1)C2 9226643 ZLXXQCLAHCOGDP-UHFFFAOYSA-N 442.607 6.397 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2)cc1 9307100 PWMVKSMWFUOOTF-GOSISDBHSA-N 443.576 5.574 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3C3CC3)cs2)cc1 9365111 SZDSSONNGHQGEN-UHFFFAOYSA-N 425.970 5.744 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(Br)c(C(=O)c2ccccc2)c1 9368427 WOFDJKWMVXUPDV-JLHYYAGUSA-N 440.724 5.985 0 40 IKAB COc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)c3ccco3)cc2c1 9495105 FOMMSSVAVOLYFS-SFHVURJKSA-N 437.908 5.543 0 40 IKAB COc1cccc(/C=C(/C(=O)OCc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc2)c1 9634264 DKMJRKAEYLHPST-PXLXIMEGSA-N 446.890 5.683 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)sc2c1CC(C)(C)NC2(C)C 9639782 BHYIPZWSWSDPKX-UHFFFAOYSA-N 447.409 5.315 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)n1C)C(=O)Nc1ccccc1-c1ccccc1 9729692 OBXFFFGNNTXIBY-SFHVURJKSA-N 428.561 5.192 0 40 IKAB CCCOc1ccccc1NC(=O)c1ccccc1SCC(=O)Nc1ccc(F)cc1 9959949 ASIURQUUGAZLMX-UHFFFAOYSA-N 438.524 5.598 0 40 IKAB Cc1cc(-c2nc3ccccc3c(=O)o2)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 9986291 NOMBXRIVROXMQM-UHFFFAOYSA-N 442.515 5.478 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 10021532 WOYHKAGYIMSXER-VGSWGCGISA-N 447.608 5.311 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(/C=C/c2ccccc2)oc1NCc1ccco1 11617216 WXXASRMGOGVXSO-MDWZMJQESA-N 440.908 5.536 0 40 IKAB Cc1cccc(NC(=O)c2nnn(-c3ccc4noc(-c5ccc(Cl)cc5)c4c3)c2C)c1 12274500 IFKVJACBQBSHGA-UHFFFAOYSA-N 443.894 5.598 0 40 IKAB CCCCc1ccc(N[C@H](CC(=O)c2ccccc2)c2ccc(Br)cc2)cc1 12410948 ITCKZAHQEDFEIX-XMMPIXPASA-N 436.393 7.218 0 40 IKAB Cc1ccc(-n2c(SCCC34CC5CC(CC(C5)C3)C4)nnc2-c2ccccc2)cc1C 12538989 NWCPKRZGOWBOMN-UHFFFAOYSA-N 443.660 7.250 0 40 IKAB C[C@@H]1CCCN(C(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc23)C1 12646010 AGDHXIGAYZDKRC-ZFGQVMFLSA-N 435.637 5.448 0 40 IKAB CN(Cc1cccc(Cl)c1Cl)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 12888631 BXOCWMCKQRJURZ-UHFFFAOYSA-N 439.770 5.158 0 40 IKAB Cc1c(C(=O)N2CCC[C@H](c3nnc4ccc(C(F)(F)F)cn34)C2)sc2ccccc12 12974957 IXLQEOXWTXCWPS-AWEZNQCLSA-N 444.482 5.291 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2OC32CCC(C)CC2)s1 13510645 CZAHJPZRCSZXAX-JKPXSAOISA-N 431.399 6.269 0 40 IKAB Nc1c(C(=O)Nc2ccccc2N2CCCCC2)sc2nc3cc4c(cc3cc12)CCC4 13564167 QRYWXOZJUMZPAC-UHFFFAOYSA-N 442.588 5.763 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 13616281 HLYDHNXXNZTLMP-GOTSBHOMSA-N 447.325 5.798 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)N1c2ccccc2Sc2ccccc21 13717221 JFSCIGKDBCWIMA-UHFFFAOYSA-N 431.742 6.937 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)COc4ccc(Cl)cc4)c3)oc2c1 13946093 BPFWMLWLXLSUHY-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)c(Br)c1 13977703 JHYMQLNNHXJLNM-UHFFFAOYSA-N 426.310 5.821 0 40 IKAB CCOc1ccc(Nc2cc(C)nc3c(-c4ccc(C)cc4)c(C(F)(F)F)nn23)cc1 15840028 SXVOFRSPQFYRKQ-UHFFFAOYSA-N 426.442 6.174 0 40 IKAB COC(=O)c1ccc2c(O)nc(CN[C@H](c3ccc(C4CCCCC4)cc3)C(C)C)nc2c1 16046621 CUZLZOIMKUUONN-VWLOTQADSA-N 447.579 5.657 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CCc1c(C)c2ccc(OC)cc2oc1=O 16468024 ROWONBQHXAMXFR-UHFFFAOYSA-N 427.928 5.460 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1 16789509 CYLOIVWTWRYHHP-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c(C)c1 17101796 OXCCTFWPAXIWKU-UHFFFAOYSA-N 437.952 5.336 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CC4CCCC4)C3)cc2N1 19082329 IHDIYCCTENHPEE-BPQIPLTHSA-N 426.527 5.113 0 40 IKAB C/C(=C/c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236806 LXPNMDMFGKXEDV-MFYCNUBPSA-N 439.603 5.677 0 40 IKAB Cn1c(C(=O)N2CCC[C@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)cc2cc(F)ccc21 19289743 RNFGFMXIJGHWBX-ZDUSSCGKSA-N 444.432 5.232 0 40 IKAB C[C@@H](c1ccccc1)N1Cc2c(oc3ccccc3c2=O)N(C(=O)OCc2ccccc2)C1 19459463 IPNDWJOYEJLKDN-IBGZPJMESA-N 440.499 5.471 0 40 IKAB COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C 19577347 BRZXNEAPIYYDAO-SQJMNOBHSA-N 449.620 5.152 0 40 IKAB Cc1ccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)cc1 19635573 IQEIJSYMDOFWHK-UHFFFAOYSA-N 442.412 6.718 0 40 IKAB O=C(CCc1nc2ccccc2[nH]1)N1CCC[C@H](c2ccc(Cc3ccc(F)cc3)cn2)C1 19690303 AVNKIJVNPSSRIJ-NRFANRHFSA-N 442.538 5.027 0 40 IKAB Cc1ccc(CNC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 20367307 DDRVSJTWNIVYOJ-NRFANRHFSA-N 432.911 5.287 0 40 IKAB O=c1c(-c2cc3ccccc3s2)ccc2n1C[C@H]1C[C@@H]2CN(Cc2ccc(F)cc2)C1 20503194 JSGCFBMRZISMAM-AZUAARDMSA-N 430.548 5.488 0 40 IKAB biogenic,in-vitro CCCCN1C(=O)[C@@H](C(=O)OCC)[C@H](c2cccc3ccccc23)n2c1nc1ccccc12 20675448 MMSYQGHRZTWHTN-ZEQRLZLVSA-N 441.531 5.105 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccnc1Nc1ccc(C(F)(F)F)cc1 22053419 OOLCYLBZUYSZEJ-UHFFFAOYSA-N 425.332 6.115 0 40 IKAB Cc1c(Cl)cccc1N(CC(=O)Nc1ccccc1Cl)S(=O)(=O)c1ccccc1 22274947 ZSFOCYGXTBRZES-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 22509314 GYRRLRDYMFHHPM-SFHVURJKSA-N 449.016 5.013 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1cc2c(s1)-c1ccc(OC)cc1CC2 25277571 JLUSZDKZAFYOPF-UHFFFAOYSA-N 449.532 5.218 0 40 IKAB Cc1ccc([C@H](CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(OC(C)C)cc2)cc1 26503769 STYRNZJDSZXKIR-DEOSSOPVSA-N 441.493 6.962 0 40 IKAB CC[C@H](C(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccc(F)cc1)c1ccccc1 28047894 PBLSIJJOZGSUSR-RDPSFJRHSA-N 436.914 5.543 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Br)c2)sc(C)c1-c1ccc(F)cc1 28048211 AXQKQQQALDDUDF-UHFFFAOYSA-N 448.313 5.664 0 40 IKAB CC(=O)NCc1ccc(-c2nc(NC(=O)c3ccccc3C(F)(F)F)sc2C)s1 30528810 XZUCUGYHIMLPRW-UHFFFAOYSA-N 439.484 5.087 0 40 IKAB O=C(Nc1nnc([C@@H]2CCCO2)s1)c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 32502390 SLKIWZMNZFQSTE-AWEZNQCLSA-N 443.834 5.574 0 40 IKAB C[C@H](Cc1cccs1)N(Cc1ccc(Cl)cc1)Cc1cc(=O)n2ccsc2n1 32836184 RGQOVZZKTQFIKW-OAHLLOKOSA-N 429.998 5.104 0 40 IKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NCc1ccc(F)cc1 33719092 JPAZOPSBDBPSBY-UHFFFAOYSA-N 443.927 5.245 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1ccccc1F 34880956 UOWFAGDAEMAKIW-UHFFFAOYSA-N 425.316 5.142 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)oc1Nc1ccc(F)cc1 36293387 OQMITCWYAFCNMM-UHFFFAOYSA-N 446.862 5.850 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 40717296 ZSXOCIGQOKVYKM-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1nc(C2(NC(=O)c3sc(-c4ccc(C(F)(F)F)cc4)nc3C)CCCC2)no1 48272583 ZTPCDAOYNLIDRM-UHFFFAOYSA-N 436.459 5.028 0 40 IKAB O=C(C1CCN(c2ccc(C(F)(F)F)cn2)CC1)N(Cc1ccco1)c1ccccc1F 57996215 GWIQVFQJNXHABS-UHFFFAOYSA-N 447.432 5.282 0 40 IKAB Cc1c(C)c(C)c(S(=O)(=O)Cc2nnc(-c3ccccc3Br)o2)c(C)c1C 60928953 FEGTXSYJBMCYFS-UHFFFAOYSA-N 449.370 5.015 0 40 IKAB COc1ccc([C@H](NC(=O)/C=C(/C)c2ccc(-c3ccccc3)cc2)c2ccccc2)cc1 67192431 PGOVFNZQZSMXCW-RDAPHKKOSA-N 433.551 6.671 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(OC)cc2)cc1 71328024 ZJZMZCHQGZJUJQ-UHFFFAOYSA-N 439.581 5.183 0 40 IKAB CC[C@@H]1Oc2cc([C@H](C)NC(=O)[C@@H](C)Oc3ccc(-c4ccccc4)cc3)ccc2NC1=O 78950913 MDPMFSADSSYKMA-RHGYRFJNSA-N 444.531 5.108 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 87493046 UBUHIKQRNDOKCZ-KPQSKKGLSA-N 442.728 7.140 0 40 IKAB COc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@H]3[C@@H]2c2ccco2)cc1 95946772 NKAZRGDPDDQREJ-NDQPJXQWSA-N 432.476 5.083 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](CC(C(=O)Nc5nc(-c6ccccn6)cs5)(C4)C2)C3)cc1 103112910 BYVKTMNEBLLFHL-UFINEARASA-N 429.589 5.990 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 106701250 FECYWPCHFZFOMD-JCMHNJIXSA-N 446.528 5.304 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222750216 DAQHNLOQQBUMAP-GOSISDBHSA-N 447.044 5.214 0 40 IKAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1)c1ccc(F)cc1 223078747 KXNXYSQHJRPTPM-INIZCTEOSA-N 436.914 5.563 0 40 IKAB Cc1ccc(CNC(=O)[C@@H](Cc2ccccc2)N(Cc2ccc(F)cc2)C(=O)C(C)C)cc1 223201936 ISGUVCZMIXUIKJ-AREMUKBSSA-N 446.566 5.046 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 223373551 XPXWMGZSMMBVMA-SFTDATJTSA-N 444.575 6.015 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccccc2C)[C@@H](C)C(=O)NC2CCCC2)cc1 223758256 LZZJIRMJRDAROR-NRFANRHFSA-N 438.637 5.013 0 40 IKAB CC(C)(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 224160677 BRJCONZPDBEQJO-AREMUKBSSA-N 442.603 5.174 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224379372 ZAKZSKAYUSMHTG-GOSISDBHSA-N 449.422 5.342 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc(Cl)cc1 224471363 OETVNZCZPHVPCY-DHIUTWEWSA-N 437.012 6.219 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224732970 OYRLMTJQMXJEGO-NRFANRHFSA-N 438.637 5.262 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224747514 MYEAFBSTXIFWPR-IBGZPJMESA-N 426.988 5.057 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 225523329 NCHURUVTZQAPLD-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225558687 XZARCDJCSNNHAS-ZJSXRUAMSA-N 440.653 5.508 0 40 IKAB COc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCCC4)cc3)CCCCC2)cc1 225559256 YPULCTPWOCLUIQ-UHFFFAOYSA-N 436.596 5.401 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc2[nH]1 257263277 LPCGDYQWNMOIHF-IBGZPJMESA-N 430.939 5.607 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccc(C)n2)CC1 257274545 NLMUTVLTAVWWTC-UHFFFAOYSA-N 447.648 5.470 0 40 IKAB Cc1cc(Nc2ccccn2)cc(C2CCN(C(=O)CCc3c[nH]c4ccccc34)CC2)n1 257280925 OMZFMRYJDDMHLS-UHFFFAOYSA-N 439.563 5.349 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cnc3ccccc3c2)C1 257304849 SNJVWPISTNJIJU-HSZRJFAPSA-N 436.555 5.084 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257322656 WGWMGEBACAJMPO-GOSISDBHSA-N 431.467 5.079 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)CC2CCCC2)CC1 257328040 XDVWCZQRMRZIHG-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB CC(=O)NC[C@H]1CC[C@H](c2c(C(=O)NCCc3ccccc3)sc3ccccc32)CC1 257336317 YNXCFNHREWUGMX-MEMLXQNLSA-N 434.605 5.284 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Oc2ccc(Cc3ccccc3)cc2)CC1=O 408651873 CNFLQBFBBHWLPO-DEOSSOPVSA-N 427.544 5.361 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCc1cccc2ccccc12 409118382 PSAQXPYCLTZDJO-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB Cc1ccccc1NCc1cc(Br)ccc1OCc1cccc2ccccc12 409121186 WWWIDIMOODSHKK-UHFFFAOYSA-N 432.361 7.102 0 40 IKAB COc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1Br 409132987 YWRDWPPCBDNSEL-OQLLNIDSSA-N 444.778 5.728 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409163068 LJZUYRIYSMVZNL-VYVDHXHBSA-N 438.549 5.156 0 40 IKAB Clc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(Cl)c2)cc1 409181274 AOVJQAPIAAONDT-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Br)Nc1ccccc1 409377499 HNPXLMCCKFNMKG-UHFFFAOYSA-N 445.744 5.732 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)cc1 409411620 YAVRCUUJNJFVCZ-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB O=C(O)Cc1c(-c2ccc(F)cc2)oc2cc(O)c3c(=O)cc(-c4ccccc4)oc3c12 524729550 YFOGRJDBHUIBSD-UHFFFAOYSA-N 430.387 5.345 0 40 IKAB biogenic C[C@@H](N[C@H]1CCCc2ccc(Br)cc21)c1ccc(NC(=O)NC2CC2)cc1 536153161 SEEJEIXQFUVITR-SZNDQCEHSA-N 428.374 5.461 0 40 IKAB Cc1ccc(CNc2ccc3c(c2)CNCCCCCCCN3C(=O)c2cccnc2)cc1 643574061 ABZYCWDEJUFACK-UHFFFAOYSA-N 442.607 5.703 0 40 IKAB CCCCOc1ccc(S(=O)(=O)Oc2ccc(OCc3ccccc3)cc2)cc1C 1889298692 YHSUXPFWWVJTGJ-UHFFFAOYSA-N 426.534 5.521 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl 912849 XSODMMOIYRQLHT-UHFFFAOYSA-N 428.867 5.193 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c1 1102641 KDJCRPDYCNJUNO-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCCC1)c1cccn1C 1341474 ZGFFVWFAHGGRKP-VWLOTQADSA-N 449.620 5.161 0 40 IKAB Cc1cc2cc(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)c(=O)[nH]c2cc1C 1371196 ZTLVTUCJAPEAKY-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3nc4c(s3)CCCC4)c2c1C 1377424 SORZLZQEXQFBMW-UHFFFAOYSA-N 430.624 5.252 0 40 IKAB FC(F)(F)c1cc(-c2ccc([C@@H]3Nc4ccccc4-n4cccc43)o2)cc(C(F)(F)F)c1 1572100 SANVNBGAFPDHMG-OAQYLSRUSA-N 448.366 7.290 0 40 IKAB CCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 1794024 OZQBPIDBWUJYGF-UHFFFAOYSA-N 430.617 6.023 0 40 IKAB biogenic CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)coc2cc1OCc1ccc(F)cc1 2264349 NRKVLBUFRSZMLD-UHFFFAOYSA-N 446.474 5.902 0 40 IKAB biogenic CCCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2[C@H]1CCOC(C)(C)C1 2450765 YBIDGXYEKMQCHB-HRAATJIYSA-N 429.586 5.535 0 40 IKAB Cc1ccc(C2=N/C(=C/c3ccc(Br)cc3)C(=O)N2c2cccc(C)c2)cc1 3202816 QYFIAPRKIBYFHE-PXLXIMEGSA-N 431.333 5.900 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1c(Cl)cccc1Cl 3225735 IMIHGKWNGFQFSX-UHFFFAOYSA-N 441.270 5.597 0 40 IKAB COc1ccc(OCc2nnc(S[C@H](C(=O)c3ccccc3)c3ccccc3)n2C)cc1 3354410 JFAAVEASNLJWKV-DEOSSOPVSA-N 445.544 5.119 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)NC(c2ccccc2)c2ccccc2)cc1 3433837 ZMSBJVCTJQYYLI-UHFFFAOYSA-N 426.516 5.319 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)CCCC)c2)c1 6386555 ILJHBJCKTGABCL-UHFFFAOYSA-N 427.570 5.121 0 40 IKAB O=C1[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12 8497892 NEWZKXFPWSBRPF-QDBPJBAASA-N 435.910 5.587 0 40 IKAB CCc1ccc(NC(=O)C2CCN(c3ccc(Sc4ccc(C)cc4)nn3)CC2)cc1 8592495 UPIJEOTUKOGTCE-UHFFFAOYSA-N 432.593 5.354 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C(\CC(=O)O)c1nc2ccccc2s1 8672173 RTLMHOJYSNZDDT-JLHYYAGUSA-N 427.888 5.598 0 40 IKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccco3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 8717717 AXSUTYRUGZASNU-QFIPXVFZSA-N 433.939 5.469 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc([C@H]3O[C@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 8782723 OIHIHXHRQAFSFC-ACIOBRDBSA-N 440.586 5.970 0 40 IKAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 8783313 GBCUIBKOHUTPJW-DEOSSOPVSA-N 434.948 5.128 0 40 IKAB COc1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)c(OC)c1 8854448 RQCJYGWFIPSVSO-UHFFFAOYSA-N 434.970 5.287 0 40 IKAB Clc1ccc(-c2nc3ccc(Cl)cc3n2OCc2ccc(Cl)cc2Cl)cc1 8855388 QJXPCNMHVGAUEY-UHFFFAOYSA-N 438.141 6.946 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\c3ccc(Cl)cc3)S[C@H]2c2ccc(Cl)cc2)cc1 8869407 PHKZAQZUAVDEGJ-YJADQXIJSA-N 426.368 7.122 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)c(C)c3)CC2=O)cc1 8871456 LCVKBMCSKIPLLT-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 8984468 ZXXATUVQVXOJBR-HWFUFWNBSA-N 429.470 5.797 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc1Cl 9226591 XHFMSVLLGKSPHY-UHFFFAOYSA-N 427.291 5.378 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9281780 CUUHNKSDTZCGIL-RDPSFJRHSA-N 434.879 5.320 0 40 IKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3ccccc3C(F)(F)F)n2)cc1 9340426 ZOUHIIZQEMHXCN-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3c(Br)c2OC)cc1 9427037 QUKAYONYRVXMGK-UHFFFAOYSA-N 427.298 5.212 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)no1 9451793 IZAPLNXTOJQRJG-LJQANCHMSA-N 441.270 5.454 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccccc1 9485339 YESODRCNSUYYCS-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 9557812 NFQFAWWMBGIYOW-OAHLLOKOSA-N 435.911 6.074 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(-c4cccs4)n3C3CC3)o2)cc1C 9666720 XNRLCGBMXKOBES-UHFFFAOYSA-N 429.596 5.616 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)S(C)(=O)=O)c1 10328189 BBXDLLAAEULUGF-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F)c1ccc2ncsc2c1 10965422 YLKLQENXEGNINQ-UHFFFAOYSA-N 431.395 5.413 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](Sc2ccc(-n3nc(C)cc3C)nn2)c2ccccc2)c1 11068992 GPVSDRZJNUFDIL-DEOSSOPVSA-N 443.576 5.368 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(F)cc4)ccc3oc2=O)cc1OC 11866197 MNQYBOLFVRPNKX-UHFFFAOYSA-N 434.419 5.144 0 40 IKAB biogenic O=C1NC(c2ccccc2)=C(c2nc3ccccc3[nH]2)[C@@H](c2cccc(Br)c2)N1 12559609 HGQHHJBWPXDANG-OAQYLSRUSA-N 445.320 5.248 0 40 IKAB CN(CC(=O)N1c2ccccc2NC(=O)C12CCCC2)C(c1ccccc1)c1ccccc1 12692844 CKIADGQUPCGLCN-UHFFFAOYSA-N 439.559 5.006 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 12854856 GNFHLCROLGHBIK-UHFFFAOYSA-N 440.377 5.198 0 40 IKAB COc1cc(OC)c(NC(=O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1Cl 13000634 GGKHCWLPGCIFJX-OAQYLSRUSA-N 448.997 5.066 0 40 IKAB Cc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccc(Cl)c(Cl)c3)cs2)cc1 13001709 OJRDRBUKNKJWCR-UHFFFAOYSA-N 434.348 5.136 0 40 IKAB Cc1cc(C)c(C)c(C(=O)CSc2nc(/C=C/c3ccccc3)nc3ccccc23)c1C 13030047 DRVZVNMAADABGU-CCEZHUSRSA-N 438.596 7.009 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(-c3ccccc3)cc2)nc2ccccc12 13040929 NDYZCJYDSGUEPW-UHFFFAOYSA-N 442.562 7.692 0 40 IKAB COc1ccc(-c2cnnn2-c2ccc(C(=O)Nc3cccc(C(F)(F)F)c3)cc2)cc1 13114420 WCQQJAZMGJQACD-UHFFFAOYSA-N 438.409 5.214 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cccc2ccccc12 13709153 MRUZYWSSXDOITF-FQEVSTJZSA-N 427.569 6.847 0 40 IKAB Nc1nc2n(n1)[C@@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 13880444 XFQABZFFVGPTQF-LSDHHAIUSA-N 439.144 5.076 0 40 IKAB CC(C)c1ccc(Nc2c(-c3cc(C(C)C)c(O)c(C(C)C)c3)nc3ncccn23)cc1 15414249 GSBJIYYAGNOELV-UHFFFAOYSA-N 428.580 7.216 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccc(C2SCCCS2)cc1 15641608 ZWWYKKVQONJVPH-UHFFFAOYSA-N 429.998 5.706 0 40 IKAB CCOc1cc(CNCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 16689150 WXCFTWZQSWULOH-UHFFFAOYSA-N 430.375 6.303 0 40 IKAB CCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16736066 MVILZYJUSXMWGR-DEOSSOPVSA-N 440.499 5.507 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1 16741938 MEQDVJOJROYLBQ-VWLOTQADSA-N 437.539 6.144 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 16752424 HSIFIIHOQKDRPI-RUZDIDTESA-N 437.539 5.878 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1c(-c2ccccc2)c(-c2ccccc2)c2n1CCC2 16940706 IXUADUJVACNDMV-NMWGTECJSA-N 430.507 6.113 0 40 IKAB CCCC(=O)Nc1cccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)c1 17094679 ZXAGHQBQDBZJBM-UHFFFAOYSA-N 425.941 5.359 0 40 IKAB Cc1nc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)ccc1I 17102739 LBPFEYOJTLJXCY-UHFFFAOYSA-N 438.652 5.160 0 40 IKAB COc1c2c(cc3c1[C@H](CC(=O)CC1CCCCCCCCCCC1)N(C)CC3)OCO2 20111726 RUWMEGLSJPCIBS-QHCPKHFHSA-N 443.628 6.223 0 40 IKAB biogenic FC(F)(F)c1cnc(N2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c(Cl)c1 20405549 GEHHNIGHOQLEGD-UHFFFAOYSA-N 445.194 5.148 0 40 IKAB COc1cc(CNC(C)(C)CC(C)(C)C)cc(Br)c1OCc1ccccc1 22076245 IATGURTUNTWJRC-UHFFFAOYSA-N 434.418 6.341 0 40 IKAB CCn1c(CSc2nc3ccccc3s2)nnc1S[C@H](C)c1nc(C(C)C)no1 27777792 AVVKTRKPGBAZHI-GFCCVEGCSA-N 446.627 5.560 0 40 IKAB COc1c(Br)cc(Cl)cc1NC(=O)c1cc(Br)ccc1F 27829037 IYOKJXKGTXOIGE-UHFFFAOYSA-N 437.490 5.265 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 30860247 GFIJZZDKXUKCGG-CJFMBICVSA-N 430.548 5.591 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F 32072541 YBZVMXVYYSMZIS-MRXNPFEDSA-N 448.832 5.702 0 40 IKAB Cc1ccc(NC(=O)CSC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)cc1 33502932 GAIYMTSLOFJPDQ-PXLXIMEGSA-N 445.519 5.250 0 40 IKAB CC1CCN(c2oc(-c3ccc(F)cc3)nc2S(=O)(=O)c2ccc(Cl)cc2)CC1 36293390 VHWJZHXUTFMWJP-UHFFFAOYSA-N 434.920 5.203 0 40 IKAB O=C(c1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 38204417 JBRNEVFTJPFTDM-BOSJPIGCSA-N 428.482 6.402 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccccc1SCc1cn2ccccc2n1 40060288 XDVBSJQRMGGXJT-UHFFFAOYSA-N 428.561 5.479 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CCSCc3ccccc3)c2)cc1 44948304 NEIWODPLCKBAEA-UHFFFAOYSA-N 431.601 6.477 0 40 IKAB C[C@](NC(=O)OCC1c2ccccc2-c2ccccc21)(C(=O)O)c1cccc2ccccc12 55168272 WCWVMVITTKGHJZ-MUUNZHRXSA-N 437.495 5.678 0 40 IKAB COc1ccc([C@@H]2CCCCCN2Cc2nc3scc(-c4ccco4)c3c(=O)[nH]2)cc1 57289829 BQJXWRWYBGJDHP-IBGZPJMESA-N 435.549 5.371 0 40 IKAB O=S(=O)(c1ccc2nc(SCc3c[nH]c4ccccc34)sc2c1)N1CCCCC1 59417627 UOBNXWDLICYMSP-UHFFFAOYSA-N 443.619 5.245 0 40 IKAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2nc(SCc3ccc(F)cc3)sc2c1 59478021 FLZPSLFMJYBBHL-IAGOWNOFSA-N 444.553 5.557 0 40 IKAB C[C@H]1C[C@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)C1 67240744 JDSLGNHGUMMOML-GJZGRUSLSA-N 425.458 5.446 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C(C)C)cc4)nccn3n2)cc1C 67289786 GGDWXPXEYYRJFG-UHFFFAOYSA-N 430.577 5.867 0 40 IKAB Clc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)c1 72332600 DPXBDBBIJFLINC-IRLDBZIGSA-N 439.740 6.345 0 40 IKAB O=C(c1cccnc1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72349133 SGNVZSVXZRVERU-IBGZPJMESA-N 425.454 5.106 0 40 IKAB Cc1oc(=O)c(C2=Nc3ccccc3S[C@@H](c3ccccc3)C2)c(O)c1Br 96319399 QYLXYUPDKBPVFL-QGZVFWFLSA-N 442.334 5.774 0 40 IKAB COc1ccc(-c2[nH]c(-c3cc(OC)c(OC)c(OC)c3)nc2-c2ccccc2)cc1OC 96319661 XHFDTBHMLWCVBE-UHFFFAOYSA-N 446.503 5.454 0 40 IKAB CCCCCNC(=O)OC[C@@]12CO[C@@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 100741380 BTQCHPRUVKAYMZ-HNXAMZMRSA-N 429.557 5.238 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc(F)cc1Cl 106735313 HHBXLQXAWXTPCY-WQRHYEAKSA-N 445.924 6.460 0 40 IKAB Cc1cccc(COc2ccccc2/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)c1 214345508 RSUSBGKMXIZSTH-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1c(F)cccc1Cl 215152717 AQIQRCUBOFLIOU-FYJGNVAPSA-N 439.895 6.508 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223076750 GKGINLSCRLXDTJ-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(C)cc1 223227141 BHYATXBLZDYPIE-QHCPKHFHSA-N 440.653 5.508 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223313771 JWTFYRLMTRTBMZ-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1C(C)C 223349266 AAELNUXKIPWUDA-LJQANCHMSA-N 443.031 5.870 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223445041 ZTWIGAILAWIVJF-VWLOTQADSA-N 448.582 5.634 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1cccnc1 223473941 BKDPVDVHSIUSTJ-PKTZIBPZSA-N 444.585 5.394 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 223721131 HXNBGBMLMCBTSM-GOSISDBHSA-N 445.028 5.049 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223818381 ZBLSUAUZUYLGPU-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223861041 VWRAGSOMFUYJPW-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(F)cc2)c1 224171723 XFOUNXYNBNRDEM-UHFFFAOYSA-N 426.513 5.027 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224411647 PYOZJWYJWFEZNA-XZOQPEGZSA-N 449.938 6.311 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1ccccc1Cl 224479739 MDCFBNQWFZUJPU-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1cccc(Cl)c1 224493621 FOCBHRGBMCJZOO-UHFFFAOYSA-N 427.953 6.292 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cc(C)cc(C)c1C 224612002 YQBBXNSJFNTDAT-UHFFFAOYSA-N 433.548 6.159 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Cl)cc1COc1ccc2ccccc2c1 224640651 IRRMHYQIUFVVJG-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1CSc1ccc(C)cc1 224662739 MBIODLIVWLCHFO-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 225612941 QOMNSRDHSQHLNP-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225768882 DNNVQFCAPHBESS-DEOSSOPVSA-N 432.589 5.865 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NC2(CCc3ccccc3Cl)CCCC2)c1 225849777 AVLLTCNXCUEGEV-UHFFFAOYSA-N 426.935 6.591 0 40 IKAB CC(C)(C)n1ccc([C@@H]2C[C@@H](C(=O)Nc3cccc(F)c3)N[C@H]2c2ccc(Cl)cc2)n1 257222201 DSIYCVIPDREGPU-BVSLBCMMSA-N 440.950 5.256 0 40 IKAB COc1ccc(S(=O)(=O)NCCSCc2c(Cl)cccc2Cl)cc1C(C)C 408679578 OBCFPWGYBHNRFQ-UHFFFAOYSA-N 448.437 5.337 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408689943 ZUQPAIKNWXTIQT-GDBMZVCRSA-N 429.303 5.091 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cc(Cl)ccc2C)cc1 408698204 MDMDKFWEZOCOEC-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)c1 408699513 XLHQHKRKIRPGNA-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 408705848 OOEXIWONYZHFIK-LJQANCHMSA-N 428.381 5.209 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)cc2-c2cccc3ccccc23)cc1 408726753 TZGPKDOKTGBHPV-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408839060 MGTOOODFTLSBBR-PXLXIMEGSA-N 441.483 5.266 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409173578 MBODTVREFQTRGM-BFZJJYPJSA-N 438.571 6.552 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2cccc(Cl)c2)cc1 409178836 IUCSGAPKMFEPGW-MHZLTWQESA-N 438.958 7.014 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)ccc1O[C@H](C)CC 409214098 RCLLVTSTQYFASS-FIOICXDGSA-N 425.550 5.542 0 40 IKAB CC(=O)NC1CCC(NC(=O)c2c(Cl)cccc2Oc2ccc(F)c(Cl)c2)CC1 570239930 OZESVEZZPRWVAR-UHFFFAOYSA-N 439.314 5.102 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1Cc1cccc(F)c1 585265956 VHJNYVYUIQRXNP-UHFFFAOYSA-N 447.893 6.409 0 40 IKAB Cc1cccc(NC(=O)c2c(NC(=O)c3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)c1 643979 FBBXKAZTMCGTIE-INIZCTEOSA-N 436.577 6.305 0 40 IKAB CSc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccccc1)N2 673908 MEDGTNVTZGDPBK-MAUKXSAKSA-N 432.471 5.518 0 40 IKAB Cc1cccc2cc(CN(Cc3cccs3)C(=S)NC3CCCCC3)c(=O)[nH]c12 884541 CANQPUOKKILFDB-UHFFFAOYSA-N 425.623 5.107 0 40 IKAB CCc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(OC)cc4)nsc23)cc1 902735 ZKZIQLHQZDRFGD-UHFFFAOYSA-N 436.562 5.055 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCC4)cc1Cl 1103146 BERYJOXZFMNFDR-UHFFFAOYSA-N 439.993 6.310 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1cccs1 1338678 VPIKMHJUJGPOAB-QFIPXVFZSA-N 435.572 5.421 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 1352837 KLBLLNWHANTJIR-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB Oc1c(-c2cccc3ccccc23)sc(-c2cccc3ccccc23)[n+]1-c1ccccc1 1619561 GAPTXJYYSNUZKT-UHFFFAOYSA-O 430.552 7.371 0 40 IKAB Cc1ccc(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1 1754499 PYKKINWQNKDMGG-UHFFFAOYSA-N 434.923 5.121 0 40 IKAB COc1ccc(Oc2c(C)oc3cc(OCC(=O)c4ccc(OC)cc4)ccc3c2=O)cc1 2108080 WTYKTAIKHYORQB-UHFFFAOYSA-N 446.455 5.173 0 40 IKAB biogenic Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(Cl)cc4C)ccc3Cl)oc2c1 2137771 WLWOWUZKHZGXCL-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Brc1ccc([C@@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2332856 OWSSYKJUUWTEFB-VQTJNVASSA-N 445.154 6.442 0 40 IKAB O=C(CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1)Nc1ccc(F)cc1 2358507 ZDFRFKROHRKJOJ-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1 2424444 NWCLDCNGMXCADL-QGZVFWFLSA-N 443.311 5.615 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 2622592 VYNBQUZPIJVGCW-UHFFFAOYSA-N 437.421 5.620 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 2748440 FBEDWNBABVMDHJ-UHFFFAOYSA-N 448.591 6.915 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(-c3ccccc3)cc2)c2ccccc21 3321917 YHRKIUAHMFBGBQ-UHFFFAOYSA-N 445.518 6.552 0 40 IKAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3363796 VBXGOCLGQQNJCE-INIZCTEOSA-N 434.380 5.274 0 40 IKAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc(C(=O)Nc2ccccc2C(C)(C)C)c1 3383489 QZFGIHPNARCQKG-SFHVURJKSA-N 448.588 5.376 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ccc(Br)cc2)cc1 3664100 WZLXEUZWEOCYMA-HSZRJFAPSA-N 435.365 6.563 0 40 IKAB O=C1c2ccccc2C2(c3ccccc31)[C@@H](C(=O)c1ccccc1)[C@@H]2C(=O)c1ccccc1 4973028 CCPHOZPNGOCXHR-CLJLJLNGSA-N 428.487 5.529 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3ccc4ccccc4c3)ccc(=O)n1C2 5415069 YIUYUSKBAYEBHI-FDDCHVKYSA-N 438.502 5.067 0 40 IKAB biogenic,in-vitro CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4cc(C)c(C)cc4C)cc3c2C1 6059809 JBDOJOGACHQCBX-LJQANCHMSA-N 439.621 6.700 0 40 IKAB CSc1cc(-c2ccc(C)cc2)n(-c2ccccc2)c(=S)c1C(=O)c1ccc(C)cc1 8384910 XTANAQKJFVDPBS-UHFFFAOYSA-N 441.621 7.444 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(OC(F)F)cc2)N2CCCC2)c1C 8763382 NUUNZBVMYBPLNH-FQEVSTJZSA-N 446.519 5.997 0 40 IKAB COc1ccc2cc(CN(C)C(=O)c3cccc(NC(=O)c4cccs4)c3)ccc2c1 8860940 TYUUIQOXFWDASR-UHFFFAOYSA-N 430.529 5.434 0 40 IKAB COc1ccccc1Oc1c(C)n[nH]c1-c1ccc(OCc2ccc(Cl)cc2)cc1O 9130744 WJHAGEPFJOQSFY-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB COc1cccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)c1 9281453 FOTNJXGTUFUPDK-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB CCCCc1ccc(NC(=O)CN2C(=O)C[C@@H](c3ccco3)Sc3ccccc32)cc1 9414592 HWXNVONTSGFZSS-QHCPKHFHSA-N 434.561 5.831 0 40 IKAB O=C(O)Cc1sc(N2N=C(c3cccs3)C[C@H]2c2ccco2)nc1-c1ccccc1 9492121 HQGFUIPQPJEGJM-INIZCTEOSA-N 435.530 5.447 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)C1CCCC1 9518353 BYDWBPFXCCPSIY-UHFFFAOYSA-N 432.398 5.712 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)cc(=O)oc2c1 9766943 UBILTHCXRZAPAB-UHFFFAOYSA-N 444.491 5.176 0 40 IKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(Sc3nnc(C)n3N)c2c1C 9868381 RJKOXGQXVCLYMR-UHFFFAOYSA-N 449.030 5.019 0 40 IKAB O=C(Nc1ccccc1SCc1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 9872426 WFCSKMBRZXZZFG-UHFFFAOYSA-N 445.588 5.862 0 40 IKAB Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)oc2ccc(Br)cc12 11361638 LUNOMYBNWCJIDR-UHFFFAOYSA-N 439.265 5.601 0 40 IKAB Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2SCc2ccc(Cl)cc2)cc1 12462171 PIJKOAISTQFRTE-UHFFFAOYSA-N 425.384 7.447 0 40 IKAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccc(NC(=O)c2cccs2)cc1 12541530 NFEICRIACUFXTC-UHFFFAOYSA-N 430.533 5.329 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CCCC[C@]34C)[C@H]1CC/C2=N\N=C\c1ccccc1C(F)(F)F 12719823 FHIHDASURXFVSB-DFRHWHCWSA-N 444.585 7.913 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@@H]2C(F)(F)F 12847378 NKXCLSBUDOGTOG-UKRRQHHQSA-N 445.228 5.696 0 40 IKAB COc1ccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)cc1 13014102 IPZMWIRCPLXIMQ-OAQYLSRUSA-N 435.955 5.929 0 40 IKAB Cc1ccc2c(COC(=O)C3C[C@@H]4CCC[C@H](C3)C43SCCS3)cc(=O)oc2c1 13015570 BLLHKZDYFGLQOF-ZNXRZULTSA-N 430.591 5.147 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2cc(-c3cccs3)on2)n1C1CC1 13120764 OYEXFPPGAHQQCF-UHFFFAOYSA-N 444.969 5.854 0 40 IKAB CCC(=O)Nc1nnc(SCc2ccc(C(=O)Nc3ccc(C)cc3C)cc2)s1 13880091 MDVDFCULDPXJJV-UHFFFAOYSA-N 426.567 5.048 0 40 IKAB COc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1 16196303 BWNNKPIZXIHJEG-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB CCOc1cc(CNCCc2ccccc2)cc(Br)c1OCc1ccccc1 16688617 USDHDILYLBDTLK-UHFFFAOYSA-N 440.381 5.759 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccc(Cl)cc1 16713360 XNBPXLJMRLXIMP-UHFFFAOYSA-N 431.369 6.640 0 40 IKAB CCOC(=O)[C@@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1 16757849 XJCKPCUUDSJSBH-OAHLLOKOSA-N 437.952 5.785 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(Br)s4)n3)oc12 16960801 NMFUGTACRYQPRJ-UHFFFAOYSA-N 435.324 5.641 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4Cl)ccc3o2)c1 17099829 AUKCOAXJPQCDCD-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB O=C(CCCc1ccc(F)cc1)N1CC[C@H](c2cc(COc3ccc(Cl)cc3)[nH]n2)C1 19704340 LGGFSFRLIVGRKY-SFHVURJKSA-N 441.934 5.120 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c2nc(-c3cccnc3)cc(C(F)(F)F)c12 20100151 CGWATNLGHYTDAS-UHFFFAOYSA-N 433.231 5.572 0 40 IKAB Cc1ccc(Cn2c(=O)n(-c3cc(Cl)ccc3C)c(=O)c3sc4ccccc4c32)cc1 20354872 TZGLHCXKFZGVKH-UHFFFAOYSA-N 446.959 5.686 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccccc1 22274846 AOGDUXWVFLGLPW-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CSc1ccc(N2C[C@H](C(=O)Nc3ccc(SCc4cccnc4)cc3)CC2=O)cc1 24927524 AGLGDBMZVNZYKC-GOSISDBHSA-N 449.601 5.087 0 40 IKAB Cc1c(C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)oc2ccc(Cl)cc12 27793657 RAMRSDOZUOXTPL-OAQYLSRUSA-N 428.919 6.438 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 30869435 LZLAHMVCPQKKGA-JOCHJYFZSA-N 436.939 5.109 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@@H]3C=C(C)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 31502319 GODCGUYMQPRACL-NAEKRLSBSA-N 442.640 5.928 0 40 IKAB biogenic Cc1ccccc1-n1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 32671895 WWOVAHBCDBGANT-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB Cc1cccc(C(=O)N2CCCC2)c1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 36833218 XRLSPOHLSCYFSA-UHFFFAOYSA-N 426.582 5.080 0 40 IKAB CCc1ccc(OCC(=O)N[C@H](CC(C)C)c2ccc(OC)cc2)c(Br)c1 38756610 ALNVBDHADZTULH-HXUWFJFHSA-N 434.374 5.303 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCc1ccccc1 39995571 INXPGIZPVYPZSI-DEOSSOPVSA-N 428.557 5.882 0 40 IKAB C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccc(F)cc1 44904945 FAZSAKDALVFMCD-QYBDOPJKSA-N 448.563 5.133 0 40 IKAB Cc1cccc(OC2CCN(Cc3cc(=O)n4c(-c5ccccc5)csc4n3)CC2)c1C 48287537 WLZJXRVGBDBTTD-UHFFFAOYSA-N 445.588 5.083 0 40 IKAB c1ccc(-n2c(Cc3cccc4ccccc34)nnc2SCc2c[nH]c3ccccc23)cc1 59489568 MUKXUIHBYAVXHT-UHFFFAOYSA-N 446.579 6.785 0 40 IKAB CCOc1cc(-c2ccccc2)nc2ccc(NC(=O)c3ccc(OC)cc3OC)cc12 65033817 QQVRSGNOPCUUQG-UHFFFAOYSA-N 428.488 5.570 0 40 IKAB Cc1cc(C)c(NC(=O)CN2c3ccccc3N(C(=O)OC(C)(C)C)C[C@H]2C)c(Cl)c1 72305358 STWNFRWTXKCJDM-QGZVFWFLSA-N 443.975 5.546 0 40 IKAB COc1ccc(-c2cccc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)cc1 72349668 YHNVSGAYVYTHSH-HXUWFJFHSA-N 425.532 5.187 0 40 IKAB Cc1cccc(N(CCCC(=O)Nc2ccccc2-c2ccccc2)S(C)(=O)=O)c1C 95471641 XNRKDGVZEQOJKJ-UHFFFAOYSA-N 436.577 5.155 0 40 IKAB CCCOc1ccc2[nH]c(C)c(CN(Cc3ccccc3)Cc3ccccc3)c(=O)c2c1 96300406 BZUNPVFGWHXKKX-UHFFFAOYSA-N 426.560 5.828 0 40 IKAB CCCCCOc1ccc([C@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1 102859549 SWKZQCSMBQILNV-HHHXNRCGSA-N 432.608 7.744 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 223092639 DGWWEQCQIFVNCI-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 223184207 LJXUMLALIBCZCP-LJQANCHMSA-N 429.004 5.169 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1ccc(OCc2ccccc2Cl)cc1 223544180 ZKSHWPPDNHKMIP-UHFFFAOYSA-N 431.919 5.881 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C)c(C)c1 224626351 AMTFKGXHGSHXEX-UHFFFAOYSA-N 432.520 5.492 0 40 IKAB CC(=O)Nc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224965671 MHMWCVILYAQLAP-UHFFFAOYSA-N 431.879 5.873 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224972839 DKYXPUNNNVDUKY-JOCHJYFZSA-N 449.422 5.158 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029235 DEZAHDDEBBGFQT-GOTSBHOMSA-N 437.996 6.219 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(F)cc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225662211 TWWJIGIHUMGGJX-CYFREDJKSA-N 426.576 5.043 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCCCC3)n2)o1 225915915 MBGWHFYXHKMVIN-UHFFFAOYSA-N 437.569 5.037 0 40 IKAB Nc1ccccc1NC(=O)c1ccc(-c2ccc(Br)cc2Br)o1 226348644 ZWRPFCUMKGLHQL-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)C[C@H]2C=CCC2)CC1 257203990 ASNRQTWFXPRCBH-NRFANRHFSA-N 448.582 5.136 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257321717 WCXATXSDPYWSQB-DEOSSOPVSA-N 445.592 5.329 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccc(C)cc1 408558416 RLERNSORWXSMFU-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Fc1ccc(CNC(=S)c2ccc(OCc3ccc(Br)cc3)cc2)cc1 408573847 KYUHCEIJMDHRKP-UHFFFAOYSA-N 430.342 5.633 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccccc2F)cc1 408623097 CUSDAKOXMRSGCE-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1cccc(Cl)c1Cl 408668365 WJQOHKPEQKXEIP-HZVDNRATSA-N 446.330 5.020 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2c(F)cccc2Cl)C1=O 408812335 SHTJXXGGZNGKKB-BKOOLHNBSA-N 429.968 6.533 0 40 IKAB Oc1nc(-c2ccc(-c3ccc(Br)cc3)o2)nc2sc3c(c12)CCCCC3 408991826 RDCMRYYLFIOBEJ-UHFFFAOYSA-N 441.350 6.355 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccccc2OCc2ccc(C)cc2)C(=O)O1 409004794 RTYKSKJQTJGJFO-FYJGNVAPSA-N 433.891 5.581 0 40 IKAB CCOc1ccc(Br)cc1/C=C1/SC(=O)N(CCCc2ccccc2)C1=O 409134142 NISWNEDSMUUTCO-XMHGGMMESA-N 446.366 5.517 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc1OC 409245882 AJUMQJYMRJHXSZ-YXHQGMJNSA-N 435.307 5.277 0 40 IKAB O=C1S/C(=C/c2cc3ccccc3oc2=O)C(=O)N1Cc1ccc(Cl)cc1Cl 409363190 UFDSVJYCQVBECI-CAOOACKPSA-N 432.284 5.336 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc(Cl)cc2Cl)cc1 409411388 HNRYAJMZGWROFM-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1C(=O)CC1CCCC1 643581814 BFKIJZWAUAJJRJ-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CSc3nnc(-c4ccncc4)n3C)cc2)c(C)c1 624842 ULYSGYDBUUCTIY-UHFFFAOYSA-N 429.549 5.039 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)CSc2nc3ccc(OC)cc3cc2C)c1 875763 FEDXHZJPCVJZQT-UHFFFAOYSA-N 426.538 5.080 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(C)nc3c2sc(=S)n3-c2ccccc2)cc1 1638191 XMOZBELGYYTMOY-UHFFFAOYSA-N 438.603 5.559 0 40 IKAB Cc1ccc(N2CCN(c3cc(C(C)C)nc4c(-c5ccccc5)c(C)nn34)CC2)cc1 2212838 UBYPJCUNURQNBS-UHFFFAOYSA-N 425.580 5.463 0 40 IKAB COc1ccc(C(=O)Nc2cccc(-c3nc4cc(Cl)cc(Cl)c4o3)c2)cc1OC 2320275 JJAUJWUXCVIKGY-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CSc1nc(SCCN(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2413333 DKKYLVUYWUKZOY-UHFFFAOYSA-N 432.684 5.302 0 40 IKAB O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 2600866 JEWKVAYOSXNLFR-AAEUAGOBSA-N 442.850 5.216 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)Sc1ccc(NC(C)=O)cc1)oc1ccccc12 2640682 SAPMRIJLGBJLJJ-CQSZACIVSA-N 434.517 5.672 0 40 IKAB Cc1ccc(-c2c(OC(=O)COc3ccc(Cl)cc3)ccc3oc(=O)sc23)cc1 2697067 VJNLABMDKRGCQY-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB CCSc1nnc(CSc2nc(C)cc(C)n2)n1-c1cccc(C(F)(F)F)c1 2706440 RMUVMIOJEUBFAS-UHFFFAOYSA-N 425.505 5.097 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2C[C@@H]2c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 2757648 RVYLQTOFYCUVNF-RTBURBONSA-N 425.594 5.843 0 40 IKAB CC(C)c1ccc([C@@H]2SC[C@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N23)cc1 3330744 FOAJEJSOLTWMDN-HKUYNNGSSA-N 447.423 5.320 0 40 IKAB COC[C@@H](C)n1c(COc2ccccc2F)nnc1SCc1ccc(F)cc1Cl 3330777 AGELBFQUDMSRMJ-CYBMUJFWSA-N 439.915 5.288 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@@H]2CCOC2=O)c(C)c1 3346815 FWGJICKVFRHHHA-JOCHJYFZSA-N 429.545 5.036 0 40 IKAB CCOC1=CC(=O)O[C@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]43)C2)C1 4933940 KBYQUXJAZCAIJT-YOYYETCOSA-N 444.612 5.567 0 40 IKAB CCCCCc1ccc([C@@]2(O)CC(C(F)(F)F)=NN2C(=O)COc2ccccc2C)cc1 6472300 ZJOYIYRLPJCFJU-QHCPKHFHSA-N 448.485 5.102 0 40 IKAB Cc1ccc(C(=O)c2sc3nc(-c4ccc(F)cc4)cc(-c4ccccc4)c3c2N)cc1 8448430 HRVCIIYRZMQPKS-UHFFFAOYSA-N 438.527 6.891 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)s2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 8450992 NOGZYVQGEQLCJI-UHFFFAOYSA-N 444.912 6.572 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 8815658 LVNFFVBQVXCECR-KBPBESRZSA-N 435.929 5.075 0 40 IKAB CCCOc1cccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)c1 8831908 LNXVRKHUEQFOND-UHFFFAOYSA-N 441.314 6.843 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@H](c2ccccc2)C2=C(O)C[C@H](c3ccco3)CC2=N1 9015202 DPMNEGULJGOWCD-CLOONOSVSA-N 439.515 5.824 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 9190312 CWMKJRVMNJDJRL-WYMLVPIESA-N 434.495 7.024 0 40 IKAB CCCC[C@@H](C(=O)Nc1ccc(Oc2ccccc2C)cc1)N1C(=O)c2ccccc2C1=O 9202232 RASKOVJZYBOCMS-QHCPKHFHSA-N 442.515 5.581 0 40 IKAB CSCC[C@@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nnc2ccccn12 9216673 LTQJLCVFURBLFQ-HXUWFJFHSA-N 433.537 5.138 0 40 IKAB C[C@H]1CSC(N(C(=O)CCCc2nc3ccccc3s2)c2ccc(Cl)cc2)=N1 9222667 MDABIEPXUPZYKX-AWEZNQCLSA-N 429.998 5.797 0 40 IKAB O=C(CSC1=Nc2ccccc2[C@@H]2CC=NN12)Nc1cc(Cl)c(Cl)cc1Cl 9315541 JLVOQBZNWIGIRC-INIZCTEOSA-N 439.755 5.752 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)N1CCC[C@@H](c2nc3ccccc3s2)C1 9338157 VXKOSXFUYVMQIW-MRXNPFEDSA-N 436.606 5.451 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccn2)nc2ccccc12)Nc1ccc2ccccc2c1 9403193 WZLVEWNKFQZCBI-UHFFFAOYSA-N 433.467 5.246 0 40 IKAB O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)C(c1ccccc1)c1ccccc1 9455609 GURPMJKKHYYHGY-UHFFFAOYSA-N 434.543 5.514 0 40 IKAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9864893 HRKQUEHXNMKWEZ-HSZRJFAPSA-N 426.545 5.127 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCC3)c1ccccc1 11866547 WBJFCCZPHRGGGG-RUZDIDTESA-N 430.887 5.938 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c2ccccc2S1 13014932 DAYKCTLPJTWPOI-CYBMUJFWSA-N 430.986 5.135 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498408 SYAGFNOHSVUYIB-VWLOTQADSA-N 432.589 5.432 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 13590847 NIJXXEKLLYSRGC-STZFKDTASA-N 432.321 5.562 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 13685306 GGKLAPREKKRELW-PMACEKPBSA-N 438.527 5.737 0 40 IKAB O=C(c1ccccc1CCc1ccccc1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13688439 ARZGVNRXBSMAMV-UHFFFAOYSA-N 438.493 5.453 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccccc3Cl)n2CC)cc1 13871529 RLNSEXCLAZLXKQ-OAHLLOKOSA-N 444.988 5.385 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cc(-c2nc3ccccc3s2)ccc1Cl 13946065 YJTOGHIKLZIYGY-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB CCOc1ccc(-c2nc(CN[C@H](c3ccccc3)c3cccs3)cs2)cc1OC 14244629 MICBIJYBJRBTQU-HSZRJFAPSA-N 436.602 6.158 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 14272231 JSWMCPLVVPQOGV-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB CCc1ccccc1OCc1nnc(SCc2cc(=O)c3ccc(C)c(C)c3[nH]2)n1CC 15865319 NFNDPMBTDXWQRW-UHFFFAOYSA-N 448.592 5.190 0 40 IKAB Cc1ccc(C(=O)N2CCN(c3ccc(NC(=O)c4ccc5ccccc5c4)cc3)CC2)cc1 16291922 JWUNALHPMFABML-UHFFFAOYSA-N 449.554 5.363 0 40 IKAB O=C(CSc1nccc(-c2ccccc2)n1)N1c2ccccc2Sc2ccccc21 16493279 ZLNBHBKXXMQHGJ-UHFFFAOYSA-N 427.554 6.065 0 40 IKAB Cc1ccccc1NC(=S)NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1 17097412 SUKPJGFJOHWNCX-VQHVLOKHSA-N 431.344 6.088 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1nnc(-c2cccs2)o1 17660696 XVWLOSCQZQRYFK-OAHLLOKOSA-N 431.542 6.973 0 40 IKAB Cc1nc2ccc(N/C=C3/C(=O)N(c4ccccc4Cl)C(=O)c4ccccc43)cc2s1 17996119 FINNSRUAZGYXFJ-QGOAFFKASA-N 445.931 5.898 0 40 IKAB COc1ccc(CN(Cc2ccncc2)Cc2ccc(C)cc2)cc1Cn1ccnc1C 19210160 YIFOZAWHMZWOSY-UHFFFAOYSA-N 426.564 5.154 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2C)cc1 19648293 MXHYVBREULLAJT-INIZCTEOSA-N 448.950 6.988 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CN(c1ccccc1Cl)S(=O)(=O)c1ccccc1 20233633 OEGMIJYPWIJTCY-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 20411201 WUDIDIDATSEZKZ-UHFFFAOYSA-N 444.531 6.668 0 40 IKAB O=C(c1cnc2ccccc2n1)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 21908417 ZWFYTGWJRVBEEV-UHFFFAOYSA-N 436.540 5.643 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 27407259 MVMDECIMXWXGAN-KBXCAEBGSA-N 448.589 5.029 0 40 IKAB O=C(Nc1ccc(-n2cc(Br)cn2)cc1)Nc1ccccc1C(F)(F)F 27918154 XQYWSNCFNAMLJY-UHFFFAOYSA-N 425.208 5.298 0 40 IKAB CCCN(c1ccc2sc(C(=O)N3CCCC3)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209334 WVEJIGVPJRHICD-UHFFFAOYSA-N 442.606 5.051 0 40 IKAB CCC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 31483552 CCORPVHYPHHRKB-NNJJVJDCSA-N 442.728 8.350 0 40 IKAB biogenic CCc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 32111993 JIOKPNURNPOMAB-UHFFFAOYSA-N 428.488 5.573 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccc2ccccc2c1 32692327 FTIQXKUKWPTSEK-UHFFFAOYSA-N 435.552 6.628 0 40 IKAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(Oc3ccccc3)cc2)cc1OCC 38754039 MRAXKQJITHVKSU-SFHVURJKSA-N 441.549 5.316 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCc2ccccc2)cc1 44086618 IYCBVOUXKPVTGW-UHFFFAOYSA-N 425.384 7.447 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@H]2c2ccncc2)cc1 58356262 RAVXMLLYBQFYJD-VWLOTQADSA-N 425.532 5.535 0 40 IKAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@H](C)c1cccc(Br)c1 58356687 HPHLRAHYOVGPAW-CQSZACIVSA-N 443.370 5.581 0 40 IKAB COc1ccccc1-n1c(SCc2ccccc2C(F)(F)F)nc2ccccc2c1=O 67259558 XSMWFEWPFJDBNW-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB O=C(CSc1nnc(NC(=O)C2(c3cccs3)CCCC2)s1)c1ccccc1 70635108 KWIZAYZKKFWBTM-UHFFFAOYSA-N 429.592 5.025 0 40 IKAB Cc1nn(-c2ccccc2)c(Oc2cccc(F)c2)c1/C=C1/C(=O)Nc2ccc(Cl)cc21 89522464 VZLXOOGOTSWIJB-HYARGMPZSA-N 445.881 6.258 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccs5)cc34)cs2)cc1 96154493 VGQXVSKGTRLLIJ-UHFFFAOYSA-N 431.542 5.918 0 40 IKAB O=C1S/C(=C/c2cccs2)C(=O)N1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 96943342 PSWAMWPBJRXRLC-MDWZMJQESA-N 437.424 5.053 0 40 IKAB O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(C(F)(F)F)c1 98073058 COZSXSUJFPIFHA-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB COc1ccc(OC)c(NC(=O)NCC23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100888923 XNURUAAZYNOJRH-LNXYEHLSSA-N 434.580 5.672 0 40 IKAB COc1ccc(-c2csc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)n2)cc1OC 101035495 BFTBRKJICCYAJD-CFYSCFQDSA-N 432.973 5.344 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724984 YRAGKIXVLWXHGT-VCRXTVNUSA-N 446.366 5.863 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@@H](C)CCCC(C)C 118914694 QGGRDHGCNNAWIE-BYPUKNBRSA-N 444.700 7.218 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@H]4CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118914730 SFKSZNDXMPANHH-ARILJOLPSA-N 444.700 7.030 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 195532247 UVWGKYLODFTVNF-NFHUAXAMSA-N 434.411 5.800 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1Cl 216232159 DFCUUBLJYQEJKE-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1CCc1ccccc1 219007945 HPJYCVFZWQFBJK-UHFFFAOYSA-N 431.923 5.447 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 223094180 OSDDFGSBJDAYLB-UIOOFZCWSA-N 444.648 5.853 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1cc(C)cc(C)c1C 223644049 CUPHNNGSEHXDJD-DEOSSOPVSA-N 438.612 5.023 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1cccc(Cl)c1 224197288 NBKVGIUKCXNQOM-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)cc1C 224410699 MAMHXSZMTBSOBZ-GOSISDBHSA-N 449.422 5.342 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cccc(C)c2C)cc1)S(=O)(=O)c1ccc(C)cc1 224454886 QQUVLKQZNUGFIG-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cccc(C)c1 225158679 PZYUVUWQNYNFIQ-XMMPIXPASA-N 441.015 5.447 0 40 IKAB Cc1ccccc1CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1-c1ccccc1C 225542327 BVBARHLMPBKRCS-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC(C)CC1 225669276 FZYSXGZASJFKPN-UHFFFAOYSA-N 430.633 5.646 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225696598 OVVGELCHHFCKGD-QHCPKHFHSA-N 446.676 6.136 0 40 IKAB Cc1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1N1CCCC1=O 225779748 HMDOESHJCGGLNG-UHFFFAOYSA-N 434.923 5.607 0 40 IKAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257271376 MYAJOQFBULUEHC-FQEVSTJZSA-N 444.560 5.112 0 40 IKAB COc1cc(C)c(CN2CCC(c3ccc(-c4cccc(C(N)=O)c4)cn3)CC2)c(C)c1C 257276868 NVLKASABESVMEN-UHFFFAOYSA-N 443.591 5.161 0 40 IKAB COc1cccc(Cc2cnc([C@H]3CCCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)o2)c1 257282304 OTFRHQAGUALLBO-SFHVURJKSA-N 447.510 5.223 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)cc1 408572111 FFSBCBCFHSPIAS-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1ccc(OCc2ccc(Cl)cc2Cl)cc1 408572230 FTCYSHAFHNLINS-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408694743 MFQDDTSLYBDCER-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CCCN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3C)c3ccccc23)C1=O 409128129 DONYNWGBPFDARV-KQWNVCNZSA-N 434.561 5.865 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 409251672 QCEKGHDLAOEMLL-UHFFFAOYSA-N 446.355 6.325 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)COc2ccc(Cl)cc2)Cc2ccccc21 643587486 FWXCQWGPZOXJPJ-UHFFFAOYSA-N 442.987 5.455 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccccc23)nc1C 671566 QLYDZWJPNVFTKS-UHFFFAOYSA-N 445.544 5.713 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)Nc1cccc2ccccc12 867630 OSLNNWRLLOWKKV-KRWDZBQOSA-N 440.528 5.800 0 40 IKAB Cc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(F)cc4)cs3)CC2)cc1C 1349369 LZMVTUDSMHHFPB-UHFFFAOYSA-N 426.586 5.085 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)cc12 1371625 YZBNTVMEMXPVEF-HXUWFJFHSA-N 439.943 5.011 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 1403576 GOBHPKLONANCHZ-UHFFFAOYSA-N 440.874 5.454 0 40 IKAB COc1ccc([C@@H]2SC(=S)N(c3ccc(Cl)cc3)N2c2ccc(Cl)cc2)cc1 1711903 XCLDEEZHMHGTLE-FQEVSTJZSA-N 447.412 6.961 0 40 IKAB COc1ccccc1-c1coc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O 1782008 YOWXWJYTWXECJO-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB biogenic O=C(NC(=S)Nc1nc2ccccc2s1)c1cccc2c(Br)cccc12 1865059 OHEJEXPBKBNTBO-UHFFFAOYSA-N 442.363 5.339 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2C(=O)Nc2cccc4ccccc24)CCC3)cc1 2186014 FZGFMAQZZPPRRE-UHFFFAOYSA-N 426.541 6.203 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccc(C)cc1 2208449 HEVUNBFUPZPPIU-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 2221259 IVHJOQPFXLYZNQ-UHFFFAOYSA-N 447.516 5.029 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1C(=O)COc1nc2ccccc2s1 2260866 NKBHJLCJMINGTA-MHZLTWQESA-N 442.584 6.197 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)n(C)c3ccccc3c2=O)cc1 2342145 SWGPMCYQVOVQAI-UHFFFAOYSA-N 440.543 5.764 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(Cl)cc1 2405530 BSXNBIBBHQASKV-FQEVSTJZSA-N 446.330 5.460 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3c(F)cccc3Cl)ccc12 2420061 WGEUIYZJXJWHGI-UHFFFAOYSA-N 448.799 6.850 0 40 IKAB biogenic CC(=O)c1c(-c2ccc(F)cc2)c2c3n(c(-c4ccc(Cl)c(Cl)c4)cn13)CCCC2 2439475 VBKBNVHXSZCFDU-UHFFFAOYSA-N 441.333 7.060 0 40 IKAB Cc1ccccc1SCc1nc2ccccc2c(=O)n1-c1cccc(C(F)(F)F)c1 3050371 MHBKZMCRRMBMGV-UHFFFAOYSA-N 426.463 6.005 0 40 IKAB Cc1cccc(OP(=O)(Nc2ccccc2Br)Oc2cccc(C)c2)c1 3123390 NVUWXYCVRSWBJB-UHFFFAOYSA-N 432.254 6.744 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(C(C)(C)C)cc(C(C)(C)C)c1 3231903 RFQQOOBHZMULRH-UHFFFAOYSA-N 431.960 5.739 0 40 IKAB Cc1ccccc1S(=O)(=O)Nc1nc2ccccc2nc1NCc1ccc(Cl)cc1 3268628 DZAXXAFGGIVNBG-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@H](C)Oc1ccccc1Cl 3288547 OSFVTTKZEBNJGZ-AWEZNQCLSA-N 429.925 5.651 0 40 IKAB O=C(c1ccc(F)cc1F)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 3373878 VPCQIXRIELXLRA-UHFFFAOYSA-N 448.466 6.868 0 40 IKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3SC)sc1C2 3651681 WZMJDWPSDMYYLE-UHFFFAOYSA-N 447.379 5.460 0 40 IKAB aggregator Cc1ccc(NC(=O)c2sc3nc(-c4ccc(C)cc4)cc(-c4ccccc4)c3c2N)cc1 6246338 JRVAOOSRROEONX-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB COc1ccc(NC(=O)c2cccc(NC(=O)COc3cccc4ccccc34)c2)cc1 8453380 LFHHGNDTUHNITR-UHFFFAOYSA-N 426.472 5.118 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(COc2ccc(Br)cc2)s1 8856485 ISEMAJBHEGRWPK-UHFFFAOYSA-N 439.722 5.177 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(C)cc3)CC2=O)cc1 8871516 MQKONFLDFDAWHL-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB O=C(c1ccccc1)N1[C@H](c2ccccc2)Oc2c(ccc3cccnc23)[C@H]1c1ccccc1 8926430 MQVOWBJKXKHVER-OFSOJUDTSA-N 442.518 6.558 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1ccccc1C(F)(F)F)CC2 9139458 PHBAWKXUEGWABP-OAQYLSRUSA-N 447.478 5.572 0 40 IKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2cccc(OC)c2)cc1 9308914 VHARIECNFMWNDC-UHFFFAOYSA-N 437.952 5.897 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccccc2Cl)o1 9458352 UQMMHWCVYFSYTN-GHTZIAJQSA-N 443.728 6.246 0 40 IKAB COc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2C[C@H]2CCCO2)cc1 9481272 IMDCUCCEYCMKIM-QGZVFWFLSA-N 438.578 5.035 0 40 IKAB O=C(CCCc1ccc(Br)s1)N1CCC[C@@H]1c1nc2ccccc2s1 9513427 YRKXUTGFNZZKSL-OAHLLOKOSA-N 435.412 5.807 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3cc(C)ccc3C)c2C)cc1 9525776 RGNZHUYTBASXLR-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 9575459 LROYXIMQYZYMNT-DEOSSOPVSA-N 435.545 5.637 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1SC[C@H]1CCCO1 9739625 BSTVIZUACUPLCR-HXUWFJFHSA-N 448.592 5.195 0 40 IKAB CN(c1ccc(C(=O)Nc2ccccc2-c2ccccc2)cc1)S(=O)(=O)c1cccs1 10009654 SQZCHQGQFWWVBH-UHFFFAOYSA-N 448.569 5.493 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 10120104 AXGYDLLFIJMUFS-UHFFFAOYSA-N 428.875 6.584 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(S[C@H]2CCCCNC2=O)n1C1CCCCC1 10286654 CSSKRZNHDMSALF-IBGZPJMESA-N 449.020 5.085 0 40 IKAB Cc1ccc(C)c(CC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[C@@H](C)C3)c1 10700584 YSBOFBXQKUNXRO-MRXNPFEDSA-N 446.641 6.948 0 40 IKAB CCCCc1nnc(NC(=O)c2cc(-c3cccs3)nc3c2cnn3C(C)C)s1 11204723 KSAAYKAMICPGDJ-UHFFFAOYSA-N 426.571 5.187 0 40 IKAB COc1cccc(Oc2c(C)oc3cc(OCc4c(F)cccc4Cl)ccc3c2=O)c1 11865243 ZOTIOESQJNRQOG-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)c1 12380219 GHVOMBLDMXBYRR-JZTSUELASA-N 445.518 5.313 0 40 IKAB CCCCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3c2ccc2ccccc32)cc1 12485220 YTRKROOZSZEJGF-UHFFFAOYSA-N 449.554 6.461 0 40 IKAB COc1cc(C(=O)Nc2ccccc2N2CCCCC2)ccc1OCc1csc(C)n1 12528359 MJYKISITIPZHPR-UHFFFAOYSA-N 437.565 5.282 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)NCCc1ccccc1 12575186 BIHAPUMWPVXHHS-KVOJEJHXSA-N 442.326 7.572 0 40 IKAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccc(C2CCCCC2)cc1 12660535 PKAZYPKWKYZJHA-HHHXNRCGSA-N 444.596 6.994 0 40 IKAB CCn1c(S[C@@H]2CCCC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 12777385 BAUKFQKZLRJPKC-HSZRJFAPSA-N 428.561 5.702 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(CC(=O)Nc1c(C)cc(C)cc1C)CC2 12977945 DPWRBLURZLIBRP-NDEPHWFRSA-N 444.575 5.215 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)OCc2c(F)c(F)c(F)c(F)c2F)n1 13076233 LKUWGFSZKDPCHL-UHFFFAOYSA-N 445.434 5.796 0 40 IKAB Cc1cc2nc(CSc3ccccc3NC(=O)C34CC5CC(CC(C5)C3)C4)cc(=O)n2o1 13370313 CSOFIAZGAVLMDD-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(-c2ccc(C(F)(F)F)cc2)cc1 13534054 AEJJOPFHEVQHSC-DEDYPNTBSA-N 427.809 6.370 0 40 IKAB C[C@@H]1S[C@H](c2ccc(Cl)c(Cl)c2)N(c2ccc(Oc3ccccc3)cc2)C1=O 15277095 IKBYXAGYPKOQAO-RCDICMHDSA-N 430.356 6.953 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(C)cc4)c(C)c3c2)cc1OC 15729506 QCVDEQJRIYDQMA-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic Cc1nn(Cc2ccccc2)c2sc(C(=O)N[C@H](C)C34CC5CC(CC(C5)C3)C4)cc12 16045094 QRGJOCWVERNYGQ-GWKODMSMSA-N 433.621 5.789 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 16444796 AOQRJMSQGSNYJV-INIZCTEOSA-N 443.931 5.094 0 40 IKAB COc1ccc(-c2nn(Cc3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 17103142 QCCKPSQDHPMOIV-UHFFFAOYSA-N 439.342 6.589 0 40 IKAB O=C(Nc1ccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)cc1Cl)c1ccc(Cl)cc1Cl 18194892 OSRLTIMBRVXDOQ-OKILXGFUSA-N 449.721 5.355 0 40 IKAB Cc1cc(-c2cnc(C)nc2[C@@H]2CCCCN2C(=O)Cc2ccc(Cl)c(Cl)c2)on1 19121825 NSXUIRRYRZKOIH-IBGZPJMESA-N 445.350 5.352 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccccc1 22516475 HBZAZCHCSICHRK-QFIPXVFZSA-N 436.577 5.294 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 23313345 FCNDSRSAXFXNGX-HXUWFJFHSA-N 440.927 5.309 0 40 IKAB CCC[C@H](C)N[C@H](C(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2)c1ccccc1 25388179 CCDWAUMLYUPPOD-HOIFWPIMSA-N 442.625 5.508 0 40 IKAB CC(C)(C)c1ccc([C@H]2NC[C@H](c3ccc(Cl)cc3Cl)c3c2[nH]c2ccccc32)cc1 25719545 JZQOEUZYAMGYPE-PXDATVDWSA-N 449.425 7.597 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(OCc2ccccc2)cc1 32118853 UYCYXRVZQIMHBV-UHFFFAOYSA-N 447.343 5.405 0 40 IKAB CCN(Cc1ccccc1NC(=O)Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C 32925875 PFKQFRFMUZJXEM-UHFFFAOYSA-N 436.474 5.644 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@@H](C)C(=O)c2cc(C)c(C)cc2C)s1 35131961 KMXJZMZEEIXZOB-INIZCTEOSA-N 427.595 5.969 0 40 IKAB COc1c(Cl)cc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1OCc1ccccc1 35169244 SRWHAEYUONSOGQ-UHFFFAOYSA-N 445.298 5.621 0 40 IKAB CN(CCOc1ccc(Cl)cc1)C(=O)c1csc(COc2ccc(Cl)cc2)n1 36393372 BJQBPYQZWKMCQJ-UHFFFAOYSA-N 437.348 5.180 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)N3CCCC3)n2-c2cccc(C(F)(F)F)c2)cc1 44087775 DMHBMEZPVWLWHZ-UHFFFAOYSA-N 445.510 5.581 0 40 IKAB O=C(NC[C@H](Cc1ccc(Cl)cc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44544710 QLSXVPCWQQGLDI-KRWDZBQOSA-N 435.907 5.122 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Oc3ccc(F)cc3)c(C(F)(F)F)c2)cc1OC 59417223 SNQIOCCFYDEPMW-UHFFFAOYSA-N 435.373 5.906 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(c2nccn3nc(-c4ccc(Cl)cc4)cc23)CC1 67284810 NQHIULPGEOFSFU-UHFFFAOYSA-N 438.362 5.338 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(Cl)c4)n3)C2)cc1 72349876 RMNAQYLMHJVNDJ-HXUWFJFHSA-N 433.939 5.380 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358661 RBWRZWLNNCCSFO-FQEVSTJZSA-N 439.481 5.501 0 40 IKAB C[C@@H](c1nc(Cc2ccccc2)no1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 78969110 LOVRTXUDUVRQHC-INIZCTEOSA-N 449.505 5.269 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)cc1 102696224 GELAIDRTICEJSY-OFNKIYASSA-N 441.369 5.586 0 40 IKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Br)Nc1ccccc1 108987189 JHMANOAWRGDBOV-UHFFFAOYSA-N 429.289 5.218 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CC[C@H](C)C(C)C)[C@@H]3C=C[C@H]2C1 118924430 XGGXCIMQFOVACT-SHXFDWHISA-N 442.728 8.061 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 223849034 IGYPMHGMHNEBBS-RPWUZVMVSA-N 444.560 5.024 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223904472 BKIWSKYHHCYGAJ-JWQCQUIFSA-N 445.636 5.631 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 224034555 FCQXOLAQRQFNFM-DEOSSOPVSA-N 440.653 5.243 0 40 IKAB Cc1cc(C(=O)NCc2cccc(Cl)c2)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224090707 JZUHEUTYWXCALH-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 224656340 RFNVFOJKTPXOSU-RUZDIDTESA-N 446.591 5.107 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224700257 LAUMMNYKGXUYFS-HXUWFJFHSA-N 446.566 5.388 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2)c1ccccc1 224882591 STLFOQHPASTRLD-VQTJNVASSA-N 442.559 5.462 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225267146 FFNVKZQODSINCG-ZWKOTPCHSA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225311125 UWVPPXXJBXTWOU-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB COc1ccc(NC(=S)NCCCSCc2ccccc2Cl)c2cccnc12 225608494 FLJCGVFMRRAOQK-UHFFFAOYSA-N 432.014 5.507 0 40 IKAB CCCCC[C@](C)(OCCC)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225750023 DNRPOXFTSCKQJT-DRLORSAXSA-N 432.649 5.747 0 40 IKAB Nc1cc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)ccc1Br 226303276 JZJIKTURSCJPHL-UHFFFAOYSA-N 425.370 5.751 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Br)cc2)S1 260775265 PYWWTWRKELMWPH-JSNMRZPZSA-N 439.382 5.224 0 40 IKAB Cc1ccc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408646289 ASZMIZUKZGGJGJ-FPMFRTRJSA-N 448.349 5.401 0 40 IKAB CC(C)Sc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408681786 SVRYJHAUWALKQF-UHFFFAOYSA-N 426.563 5.240 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)c1 408697710 LGYRMLJYSQUKHM-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccccc2)cc1 408698597 OJRCZXIPPKKKES-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 408700752 LGISOWBDCNJWRV-UHFFFAOYSA-N 449.016 5.138 0 40 IKAB COc1ccc(CSCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 408871303 YIPHYGIKEAFIMW-UHFFFAOYSA-N 434.586 6.152 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C(=O)O1 409025865 YZCUZFDZRZDQQZ-XKZIYDEJSA-N 433.891 5.581 0 40 IKAB CCCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br 409114345 JETJBGLCFPBVSY-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2Cl)cc1 409122039 YIAFDNYCQGRZCP-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)C(=O)N1CCc1ccccc1 409200782 JLHJESCEOBUICF-XSFVSMFZSA-N 443.446 6.244 0 40 IKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Br)Nc1ccc(F)cc1 409378970 SZQKUYFQYVBJAX-UHFFFAOYSA-N 447.279 5.357 0 40 IKAB COc1cccc(-c2nccc([C@@H]3CCCN3C(=O)C3(c4cccc(F)c4)CCCC3)n2)c1 2037834800 QRMYJASPHIDGTR-DEOSSOPVSA-N 445.538 5.467 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc(Br)c(Cl)c2)c(Br)c1 673700 OCFRLBOYLQZKFV-UHFFFAOYSA-N 433.527 5.191 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871347 RDKBQARPLVRSMY-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(N(C)C)cc1 901184 GHNKJPCRIUOKAD-CQSZACIVSA-N 446.498 5.348 0 40 IKAB CCC(=O)Nc1ccc2nc(C)n(Cc3ccc(-c4ccc(Cl)cc4)cc3)c(=O)c2c1 930734 KPZUJRPZWQSVBC-UHFFFAOYSA-N 431.923 5.422 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c(C)c1 1436543 SBIHRMCKSCSROC-RUZDIDTESA-N 441.531 5.261 0 40 IKAB CCCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccccc2)c2ccccc2)C[C@@H]1C 1759851 FESBAMQBMONVEG-HFZDXXHNSA-N 426.560 6.390 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@H]1CC[C@]2(C)[C@@H]1CC[C@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 2048941 NJICGAVMYWKCMW-XUKRPAFTSA-N 442.728 7.738 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3)c3ccccc3n2)cc1 2105607 PWVDJUMZJGMLHU-NRFANRHFSA-N 438.571 6.880 0 40 IKAB Cc1c(CCC(=O)O)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 2129630 QCLNXCSEPQKIPZ-UHFFFAOYSA-N 427.250 5.294 0 40 IKAB biogenic Cc1cccc2c(-c3ccccc3)c3c(nc12)C(=O)N[C@H]3c1ccc(Br)cc1 2190060 UZMVCIQQMHVOFE-QFIPXVFZSA-N 429.317 5.806 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)c(OC)cc1Cl 2199271 NNXJRVXCKCCKEQ-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)sc1C 2245745 WIEWPIZHYXQDRK-NRFANRHFSA-N 444.556 5.914 0 40 IKAB COc1cccc(-c2nnc(SCc3cc(C)ccc3C)n2-c2ccc(Cl)cc2)c1 2444375 QBZRFMGSPWONNB-UHFFFAOYSA-N 435.980 6.505 0 40 IKAB COc1cc2ccccc2cc1C(=O)O[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 2622038 CEHZQNJONRMBJP-GOSISDBHSA-N 441.483 5.825 0 40 IKAB O=C(Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O)c1ccccc1C(F)(F)F 3041631 CSOQTQNBHICKDM-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB CCCCCCOc1cccc(NP(=O)(Oc2ccccc2)Oc2ccccc2)c1 3123420 RUESOEAEXGOUJY-UHFFFAOYSA-N 425.465 7.324 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ncc(Cl)cc2Cl)s1 3303755 WJLFUEWUQNOXPZ-UHFFFAOYSA-N 426.354 5.023 0 40 IKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1c(Cl)cc(Cl)cc1Cl 3349737 UHNDOSVHIYEUJZ-UHFFFAOYSA-N 448.733 6.038 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2)cc1 4090958 LXLVSCJVHMGDES-SDNWHVSQSA-N 445.569 5.498 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 5946789 AZBORSJAZBFZEG-UHFFFAOYSA-N 447.585 5.879 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756199 IFXPGFYICLGZFL-IBGZPJMESA-N 429.495 5.083 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904049 NPLJFKNAZTXGIY-UHFFFAOYSA-N 432.314 5.200 0 40 IKAB Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3cc(C)ccc3C)c3cc(Cl)ccc32)cc1 8922699 VHVADVMLPQXBTF-AREMUKBSSA-N 433.935 5.273 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(C)c(Cl)c4)o2)N3)C1 8928043 FXMMYXUGKAMLJI-HXUWFJFHSA-N 427.957 5.777 0 40 IKAB C[C@H](Sc1nn(-c2ccc(Cl)cc2)c(=S)s1)C(=O)N1c2ccccc2C[C@H]1C 9154045 OEGNIJUXSMFDNP-OLZOCXBDSA-N 448.038 5.775 0 40 IKAB CCOC(=O)C1=C(C)N(Cc2ccccc2Cl)C(=S)N[C@H]1c1ccc(Cl)cc1 9306244 PQGPUZXIKKQMAD-IBGZPJMESA-N 435.376 5.262 0 40 IKAB O=C(Oc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1)c1ccccc1Cl 9375670 ZEBATEISRRKSGW-UHFFFAOYSA-N 427.843 5.881 0 40 IKAB biogenic CC(C)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(Br)cc3)=NN12 9427329 FBULPKPHMSLOMY-OAQYLSRUSA-N 440.385 5.193 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)CCCSc2nc3ccccc3s2)c1 9531045 OYZKZSMJLKWMDU-LJQANCHMSA-N 442.606 5.550 0 40 IKAB COCc1c(C(=O)N(Cc2cccs2)c2ccc3c(c2)OCCO3)oc2ccccc12 9533846 ABZODTLRIBDSMU-UHFFFAOYSA-N 435.501 5.259 0 40 IKAB Nc1c(C(=O)c2ccccc2)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1 9636681 WFUFXXFHWFGPEC-JQIJEIRASA-N 438.508 6.449 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9691059 NYISKSBAHUMJJF-FOCLMDBBSA-N 426.516 5.369 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1ccccc1Br 9846258 CSFAWEWXPLVRRK-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(Nc3ccc(C)c(C)c3)c2c1 9847407 BDWCTQUDFMQXRS-UHFFFAOYSA-N 446.572 6.135 0 40 IKAB C[C@H](c1nnc(SCc2cccc(F)c2F)n1-c1ccc(F)cc1)N1CCCCC1 11416122 HUQWWRKMBACIJN-OAHLLOKOSA-N 432.515 5.524 0 40 IKAB Cc1ccc(OCCCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)c(C)c1 11692532 OVEVXSQBDBPYES-UHFFFAOYSA-N 431.536 5.378 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12042038 CRUSFBNHVRPYOV-UHFFFAOYSA-N 433.735 6.890 0 40 IKAB Cc1ccccc1-n1c(-c2ccc(Cl)cc2)cnc1S[C@@H](C)C(=O)Nc1ccccc1 12546451 KDJXWVBBMINEHI-SFHVURJKSA-N 447.991 6.620 0 40 IKAB C[C@@H](Sc1nc2cc(Cl)ccc2n1Cc1ccccc1)C(=O)N1CCc2ccccc21 12546473 VKRIDSWXQSREQD-QGZVFWFLSA-N 447.991 5.808 0 40 IKAB Cc1nc(SC(F)F)nc(C)c1CCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 12599221 GZYCSVZKSSUHGW-LLVKDONJSA-N 434.339 5.525 0 40 IKAB O=C(Nc1ccccc1OC(F)F)Nc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12644294 WDOICEWJLDUIGI-UHFFFAOYSA-N 438.409 5.924 0 40 IKAB Cc1ccc2cc(CSc3nnc(COc4ccccc4Cl)o3)c(Cl)nc2c1 12675063 ADTWHTMFYATLCA-UHFFFAOYSA-N 432.332 6.104 0 40 IKAB c1cncc(-c2nc(Oc3ccc(-c4nnc5n4CCCCC5)cc3)c3ccccc3n2)c1 12824001 QNEKPCNDFWHNQD-UHFFFAOYSA-N 434.503 5.469 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N1CCN(c2nc(-c3ccc(Cl)cc3)cs2)CC1 12878239 UOLOBHTUXQKBOO-UHFFFAOYSA-N 433.364 5.471 0 40 IKAB CCN(Cc1ccccc1)[C@H](c1cccc(C(F)(F)F)c1)c1nnnn1C(C)(C)CC 13561784 WNNHILSXFPQIEJ-HXUWFJFHSA-N 431.506 5.449 0 40 IKAB Cc1ccc2cc(COC(=O)c3nc(Cl)c(Cl)c(N)c3Cl)c(Cl)nc2c1 14704506 WQFCYNQISIZELA-UHFFFAOYSA-N 431.106 5.491 0 40 IKAB Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3cccnc3)n2)cc1 15835367 LGYDNIQOQARAAT-UHFFFAOYSA-N 444.585 5.876 0 40 IKAB COC(=O)c1ccc(COc2ccc(/C=C/c3nc4cc(C)c(C)cc4s3)cc2)cc1 15912670 QRNKJBKLWRWVST-MDWZMJQESA-N 429.541 6.449 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)c2Cl)cc1 16005128 GOLUJRCUQOBMSD-UHFFFAOYSA-N 440.277 5.709 0 40 IKAB COc1cccc(/C=C(/C(=O)OCC(=O)Nc2ccc3ccccc3c2)c2ccccc2)c1 16050364 VLTQPMSGLWMXQH-YZSQISJMSA-N 437.495 5.571 0 40 IKAB Cc1sc(NC(=O)CCCc2nc(-c3ccccc3)no2)nc1-c1ccc(Cl)cc1 16265056 PVDHHIASFTTWLB-UHFFFAOYSA-N 438.940 5.783 0 40 IKAB O=C(NCc1ccccc1NC(=O)Nc1ccc(Cl)cc1)Nc1ccc(Cl)cc1 16449597 FTWPUHLIIQGCKB-UHFFFAOYSA-N 429.307 5.959 0 40 IKAB C[C@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)c1ccccc1 16757761 HHLMFFQGUROXGY-SFHVURJKSA-N 441.987 7.594 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)cc1OC 16993215 FZMDOAACHRCGON-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(Cl)cc2)c1-c1ccc(OC)cc1 17098262 AJQRZASVNWAKLO-UHFFFAOYSA-N 432.951 6.498 0 40 IKAB CCOc1ccccc1[C@@H]1C(C(=O)Nc2ccccc2C)=C(C)Nc2nc(SCC)nn21 17315907 LLROPGPSFYIHEA-OAQYLSRUSA-N 449.580 5.025 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 19688251 BCISCDCUSINDJR-SFHVURJKSA-N 445.510 5.476 0 40 IKAB CCCCN(CC)c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3 20057287 CSWBOGNJFKTWAF-UHFFFAOYSA-N 439.629 5.317 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144727 RMYHPGNTZPDHSG-NSHDSACASA-N 440.710 5.805 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)Oc1ccc(Br)cc1 20144808 RYIKIBPPJJNVTO-UHFFFAOYSA-N 444.325 5.306 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 21595975 KOMQYUQGZMSABZ-DTQAZKPQSA-N 436.467 6.415 0 40 IKAB CCOc1cc(-c2ccc(OC(=O)c3ccco3)c(OC)c2)cc(=O)c2c(C)oc(C)c12 21782908 ORCATAPXLVGFES-UHFFFAOYSA-N 434.444 5.296 0 40 IKAB COc1cc(CNC2CCCCCCC2)cc(Br)c1OCc1ccccc1 22076289 UVLZQGUATJVRQP-UHFFFAOYSA-N 432.402 6.239 0 40 IKAB COc1cccc(-c2nc(C(=O)Nc3ccccc3Oc3ccccc3)cs2)c1OC 22990651 YVWWQTMZESFAAN-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB Cc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C\c2ccccc2)C[C@@H](C)C3)o1 23469937 LZRZZMSPYLIRHU-BAACNHRGSA-N 425.488 5.406 0 40 IKAB CN(C1CCCCC1)S(=O)(=O)c1ccc(SCc2csc(-c3ccco3)n2)nc1 24865331 DWBAWZYUOQDRFG-UHFFFAOYSA-N 449.623 5.044 0 40 IKAB CCc1ccc(N(C(=O)[C@@H]2CC(=O)Nc3ccccc32)c2nc3ccccc3s2)cc1 24905892 CLFRCIRNQIZGRO-LJQANCHMSA-N 427.529 5.649 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 25622163 BCZNHBQHBQELAT-UHFFFAOYSA-N 449.576 5.075 0 40 IKAB Cc1cc(-c2csc(NC(=O)C3CCOCC3)n2)c(C)n1Cc1ccccc1Cl 32722112 KXCOTNVDDZCEAT-UHFFFAOYSA-N 429.973 5.295 0 40 IKAB CC(=O)N[C@@H](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)c1cccs1 32882503 FGBTYLDZHDCCSA-QFIPXVFZSA-N 444.560 5.115 0 40 IKAB Cc1nnc(CNc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)o1 36395699 DAUYBPANQBOLQQ-UHFFFAOYSA-N 443.985 5.429 0 40 IKAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N(Cc1ccccc1)Cc1ccccc1 38833085 NZYWGAJSJHMIQY-VWLOTQADSA-N 432.995 5.781 0 40 IKAB CC[C@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 50073090 RRINXGACOWHPCW-BEFAXECRSA-N 445.412 5.405 0 40 IKAB CCCN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 58140201 YDYWJPBYHLFUJA-UHFFFAOYSA-N 427.552 5.169 0 40 IKAB Cc1cccc(OCc2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)c1C 59176120 KVEZXHGSFHEMPP-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB C[C@H]([C@H]1CCC[C@H]1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C 60291177 OUVCKUOWRWDEIS-NQHRYMMQSA-N 438.661 9.770 0 40 IKAB O=C(c1ccco1)c1cn(-c2cccc(Cl)c2)nc1C(=O)c1nc2ccccc2s1 71405176 DHSNTRRBBPQCGJ-UHFFFAOYSA-N 433.876 5.190 0 40 IKAB COc1cccc(Cc2cccc([C@@H]3CCCN3C(=O)Cc3c[nH]c4ccccc34)n2)c1 72358020 RERAFROYGVXJCJ-SANMLTNESA-N 425.532 5.069 0 40 IKAB FC(F)(F)c1cccc(-c2cncc([C@@H]3CCCN(Cc4ccc5nccnc5c4)C3)n2)c1 72359703 JUZIALNEIMTFRA-LJQANCHMSA-N 449.480 5.485 0 40 IKAB O=C(Nc1ccc2cc[nH]c2c1)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCC2 72401739 KEBHEIXZETVTAJ-XMMPIXPASA-N 427.548 5.601 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(Cl)cc3)oc12 73642719 AZSJADHXFYISBH-UHFFFAOYSA-N 430.527 5.818 0 40 IKAB CCc1cccc(C)c1NC(=O)Cn1nc(-c2ccc(Br)cc2)nc1C(C)C 96011635 CCMVPOUNTPTFRF-UHFFFAOYSA-N 441.373 5.341 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccnn2-c2ccc3ccc(-c4ccncc4)cn23)cc1 96155276 JBMHGYZRADRHHL-UHFFFAOYSA-N 437.503 5.227 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)cc1F 96171217 AVENGOYUKGLETI-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB COc1ccc(-c2nc(-c3cc(OC)c(O)c(OC)c3)[nH]c2-c2ccc(OC)cc2)cc1 100763983 PYRDFTNFJDJJSI-UHFFFAOYSA-N 432.476 5.151 0 40 IKAB CC1=C(CC(=O)NCc2ccccc2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 101377248 WKDGGHQUVMNSDK-WNUOTAKCSA-N 445.559 5.597 0 40 IKAB COC(=O)CC[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@@]21C 123294315 YWMXOBLUILSCFX-JKSYJIPYSA-N 446.628 5.345 0 40 IKAB COC(=O)c1cn(C(=O)COc2ccc(C(C)(C)C)cc2Br)c2ccccc12 222610882 QZKZKSFIKNUFFO-UHFFFAOYSA-N 444.325 5.207 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1ccc(C(C)C)cc1 223130587 YGVROSCGLDBGJL-PMACEKPBSA-N 426.576 5.214 0 40 IKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)C1 223916126 NDFSUPRGQDQOCS-MRXNPFEDSA-N 441.000 5.718 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc(-c2ccccc2)cc1 224215501 HIWQAKQQMQUYJE-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 224518120 BYFCGOAHBBWWRY-XMMPIXPASA-N 440.653 5.116 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1C)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224793938 OJGGQZCZSIJZDV-MHZLTWQESA-N 442.603 5.011 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225051934 MLLTYRCVCWOANL-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cc(C)cc(C)c1 225055089 OCZHLNXLZOHAQO-FCHUYYIVSA-N 440.653 5.177 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 225095433 RTVBRWXDDRQNBE-YADHBBJMSA-N 440.653 5.177 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225251717 GKDOLSYHGRFCRO-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 226756236 GMRXGJAEMLMBTK-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5ccccn5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242688056 VEFILIWPFIZDGV-GKKXXUTDSA-N 439.684 6.175 0 40 IKAB O=C(N1CCC[C@H](Cc2ccnc3ccccc23)CC1)C1(Cc2ccccc2)CCOCC1 257307434 SYPNXOWRDJFOPA-QHCPKHFHSA-N 442.603 5.446 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)cc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408642104 NTTXGSRTGIJJDT-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB CCN1C(=O)/C(=C\c2ccc(OCc3ccc(Br)cc3)cc2)c2ccccc21 409112710 GFZLVKPQKRBXIZ-JCMHNJIXSA-N 434.333 5.935 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)cc2C)C1=O 409181244 ADWHXKPHAMBHBE-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CCOc1cc(-c2nc3ccccc3s2)ccc1OCc1ccc(Cl)c(Cl)c1 409268734 YISBUTSDVOCMMK-UHFFFAOYSA-N 430.356 7.248 0 40 IKAB COc1cc(C(=O)N2CCCCCCN(Cc3ccccc3)CCC2)c2ccccc2n1 643562442 SOANPVBFFBWDAY-UHFFFAOYSA-N 431.580 5.152 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(CNc2ccc(Cl)cc2)n1CC 797562 UXHDPYZJVMFTNA-UHFFFAOYSA-N 444.004 5.165 0 40 IKAB O=C(c1ccc(Nc2nc(-c3ccccc3)c3cc(Cl)ccc3n2)cc1)N1CCOCC1 851852 YKBANKFUBRDOAY-UHFFFAOYSA-N 444.922 5.166 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccc(OC)cc2)cc(C(F)(F)F)n1 890616 MSIQCVYBUSXZQX-UHFFFAOYSA-N 447.482 5.464 0 40 IKAB O[C@@H](COc1ccc(Cl)cc1Cl)Cn1cnc(-c2ccccc2)c1-c1ccccc1 948013 ZILHHWOBUVCBAA-HXUWFJFHSA-N 439.342 5.964 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332755 DNWQDEAJRDVZKG-UHFFFAOYSA-N 439.606 5.577 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(N4CCC5(CC4)OCCO5)ncnc32)cc1 1447600 ONNABBXZQRKYBX-UHFFFAOYSA-N 446.938 5.084 0 40 IKAB CC[C@@H](C)N1C(=O)/C(=C2\C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)SC1=S 1477114 FPHOLZDVSPTEKR-NIVDNSEKSA-N 442.993 5.257 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1cccc2ccccc12 1746376 LZHOVZUYAGUBHF-UHFFFAOYSA-N 429.541 6.235 0 40 IKAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1 1771703 JQXDWCYTZWMYPY-GOSISDBHSA-N 444.483 5.971 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCC2 1811818 AIFUSQHFTULPEG-UHFFFAOYSA-N 442.540 5.881 0 40 IKAB COc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 2103719 FPVFEIBTNZKHAV-SERULOEGSA-N 433.592 5.727 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccccc2)N1c1nc2ccc(Cl)cc2s1 2333988 UIXUCCUWCSQZAC-HXUWFJFHSA-N 444.899 5.806 0 40 IKAB CCn1c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)nc2sc3c(c2c1=O)CCCC3 2646610 KUEMQRIZRUKAJQ-LBPRGKRZSA-N 448.013 5.129 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1ccccc1Br 3028068 MVPSFUQFWHFYNM-UHFFFAOYSA-N 427.264 5.711 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)n1C 3379166 OKAARQHDNMJTOA-JQWIXIFHSA-N 439.368 5.048 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658662 PIMCEMQGDVVKQP-HXUWFJFHSA-N 435.524 5.660 0 40 IKAB COc1ccccc1-n1cc(-c2ccccc2)c2c(SCc3ccc(F)cc3)ncnc21 3658715 GBLCTBRYZFGIMX-UHFFFAOYSA-N 441.531 6.528 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1C=C[C@@H](C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846384 GNVGQELMUVQTKO-LIUOYIQUSA-N 446.672 6.577 0 40 IKAB biogenic O=C1c2ccccc2[C@@](O)(c2ccccc2)N1CCOc1ccc(C2CCCCC2)cc1 4694429 XETDZUGBNUKSNB-NDEPHWFRSA-N 427.544 5.463 0 40 IKAB CCCCCCOc1ccc(C(=O)NC(=S)Nc2ccccc2N2CCCC2)cc1 6569759 LLOWRFODLCFNBW-UHFFFAOYSA-N 425.598 5.373 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)c(N)c3cc2C1 8451058 IGTYJHNHTZSASS-NUWSMOGQSA-N 437.653 5.728 0 40 IKAB O=C(Nc1ccc2nc(SCCOc3ccccc3Cl)sc2c1)c1ccco1 8673705 GIVUCBXUYKCZAC-UHFFFAOYSA-N 430.938 5.966 0 40 IKAB CCSc1nnc(NC(=O)c2ccccc2NC(=O)Cc2cccc3ccccc23)s1 8707961 OMLWCEAAQRWVJY-UHFFFAOYSA-N 448.573 5.237 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(-c3ccccc3F)n2C)c1 8735813 XEXZAFODQMYVMC-UHFFFAOYSA-N 446.551 5.255 0 40 IKAB COc1ccc(C(=O)Nc2c(C(=O)c3ccc(OC)c(Cl)c3)oc3ccccc23)cc1 8827162 JHVFWSMIPZQFFY-UHFFFAOYSA-N 435.863 5.587 0 40 IKAB CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccc(Oc3ccccc3)c2)n2ncnc2N1 8843541 WCZAHMYBNPCTNP-DEOSSOPVSA-N 438.487 5.103 0 40 IKAB COc1cccc2c1OC1(CCC(c3ccccc3)CC1)N1N=C(c3cccs3)C[C@H]21 9462430 IONMOTAOZJFGJH-MAGGMQRZSA-N 430.573 6.354 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2)cc1 9614909 RPKUULPTHKOHHE-UHFFFAOYSA-N 445.386 5.397 0 40 IKAB COc1ccc(CN(Cc2cccs2)C(=O)c2ccccc2C(F)(F)F)cc1OC 9882398 YFBAOJTYUFVPMA-UHFFFAOYSA-N 435.467 5.627 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)Nc1ccc(Cl)cc1)CC2 9950000 RPJHSGIPQHPNOE-NRFANRHFSA-N 428.941 5.598 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCc1ccc(C(=O)OC)cc1)CCCC3 10013981 OERSSZTUGZKNBA-UHFFFAOYSA-N 448.559 6.160 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(OC)c(OC)c3)oc3c(C)cccc3c2=O)cc1 10232991 DIEDPEVFIMJXLQ-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(OC(C)C)cc3)c2C)cc1 10313900 DIAZKFLSYRDFHX-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(F)cc3)cc2O)cc1OC 11866282 QEEHZIHJSYQHKG-UHFFFAOYSA-N 432.451 5.252 0 40 IKAB biogenic CC(=O)Nc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)cc1 12185744 RGGKQYBOIJADEI-JOCHJYFZSA-N 433.508 5.146 0 40 IKAB CC(C)c1cccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc12 12361778 NFKPFGVFZQZFMQ-UHFFFAOYSA-N 443.597 6.876 0 40 IKAB CCOc1cc(/C=C/c2ccc3cc(C)ccc3n2)ccc1OCC(=O)N(C(C)C)C(C)C 12523043 AGILCCJUCKEBEG-FMIVXFBMSA-N 446.591 6.137 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@@H](C)CCC[C@H]3C)sc2c1Cl 12604470 KENQHIAPXPYKAN-PHIMTYICSA-N 430.353 5.163 0 40 IKAB CSc1nc2ccc(NC(=O)c3sc(COc4ccc(F)cc4)nc3C)cc2s1 12902470 FVGSFHOBNIMHMF-UHFFFAOYSA-N 445.566 5.754 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl 13870838 ALEQKJNSINSWTJ-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)C12CC3CC(CC(C3)C1)C2 14129688 VIDCLXZWMHVBLU-SBNSQYLKSA-N 437.561 5.331 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc4ccccc34)C2=O)cc(OC)c1OC 14132166 JCPZNEKOTXTQDH-FYJGNVAPSA-N 435.501 5.102 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C(N)=O)C1 14273310 UBBFWNYAEHVUGC-CYBMUJFWSA-N 440.996 6.057 0 40 IKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 14396700 CIWFYRMNMKHLOG-IBGZPJMESA-N 428.381 5.209 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1ccco1 14704042 CLODSXVRVRTLFV-UHFFFAOYSA-N 428.941 5.374 0 40 IKAB Cc1ccc(C(=O)Oc2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)cc2)cc1 15947834 GCNAASKWBQDLSQ-QRQCRPRQSA-N 432.545 5.829 0 40 IKAB Cc1ccc(NC(=O)c2cc(Cl)cc(Cl)c2)cc1S(=O)(=O)N1CCCCCC1 15979764 CCOMWYKRDZACDT-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)c1ccc(Br)cc1 17094693 VHNNPSUBQZXYOG-UHFFFAOYSA-N 426.093 6.373 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2cccnc2)nc2c(Cl)cccc12 17095629 OGIWQZSYWRNRBU-UHFFFAOYSA-N 427.813 6.221 0 40 IKAB O=C(NC(=S)Nc1ccc(Cc2ccncc2)cc1)c1cccc2c(Cl)cccc12 17097748 BMDUZWXVWMSQPB-UHFFFAOYSA-N 431.948 5.606 0 40 IKAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccccc1Oc1ccccc1 19937703 KBELWJZURNITCY-UHFFFAOYSA-N 431.879 5.064 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140108 VMSGUWADGQUBOD-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccc(C)cc2)c2c[nH]c3ccccc23)cc1OC 21789253 OQDZFHHPIUUQGX-QFIPXVFZSA-N 428.532 5.446 0 40 IKAB Cc1nc(N(C)c2ccccc2)sc1C(=O)N[C@@H](C)c1cccc(Br)c1 22245604 NUYTXPBXZWIQLB-ZDUSSCGKSA-N 430.371 5.473 0 40 IKAB COc1ccc2c(c1)CCCN2C(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 27067237 AILRJPOGCLQHFW-UHFFFAOYSA-N 428.410 5.494 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccccc3OC)CC2=O)cc1 27792786 LRDNXNYHYKVNAY-NRFANRHFSA-N 425.532 5.176 0 40 IKAB CCOc1ccccc1-c1noc(CSCC(=O)N[C@@H](C)c2ccc3ccccc3c2)n1 31419726 QNNHPOMZTGRWSV-KRWDZBQOSA-N 447.560 5.399 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32114853 ZMXUEVRJZRJGLV-UHFFFAOYSA-N 442.849 6.468 0 40 IKAB CN(C(=O)Cc1csc(NC(=O)c2ccccc2)n1)C(c1ccccc1)c1ccccc1 32334669 QHEOUHPYDMGGHQ-UHFFFAOYSA-N 441.556 5.186 0 40 IKAB Cc1cccc(C)c1N1C(=O)CN=C1c1ccccc1C(=O)c1ccc(Br)cc1 32935030 BFNPHXFPZLEXCQ-UHFFFAOYSA-N 447.332 5.090 0 40 IKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1C 33439035 SWNBSYLWNXJYER-UHFFFAOYSA-N 438.380 5.700 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(NC(=O)c4cccc(Cl)c4)cc3)o2)cc1C 33803574 TWFNOTNMAUJGRN-UHFFFAOYSA-N 444.918 6.721 0 40 IKAB COc1cc(OC)c(-c2nc3sc4c(c3c(=O)[nH]2)CCCCCC4)cc1Br 35202552 JXJMXJFRWSMVAT-UHFFFAOYSA-N 449.370 5.090 0 40 IKAB COc1ccccc1Cn1cnc2c3cc(C)ccc3n(Cc3ccc(Cl)cc3)c2c1=O 35400664 POKXIYZQHMOYQZ-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38849805 MHSZOVBQQVVWJW-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3ccc(Cl)cc3Cl)C2)cc1Cl 38850220 UCIGWOILPRCNSH-AWEZNQCLSA-N 427.759 5.506 0 40 IKAB Cc1ccc(N(Cc2ccccc2)C(=O)C2CCN(C(=O)c3ccc(F)cc3)CC2)cc1 39976109 QSBXRZQJAFFZET-UHFFFAOYSA-N 430.523 5.220 0 40 IKAB Cc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)c(C)c1 40385057 IZRHQFUOOPNILQ-UHFFFAOYSA-N 433.943 5.746 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)N(Cc3ccccn3)c3ccc(F)cc3)c12 48300165 IRIIQHXENVBADF-UHFFFAOYSA-N 438.462 5.579 0 40 IKAB CCOC(=O)N1CCC(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)CC1 48325044 MCXNBLWJIJQQQD-UHFFFAOYSA-N 435.760 5.212 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)c1ccccc1)C1CCCC1 72215659 IDCMSFJOEOFNIL-HSZRJFAPSA-N 449.595 6.133 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3 72332885 BZNIIOGSANMIET-MODPRFTASA-N 442.728 7.238 0 40 IKAB Cc1cc(Br)c2oc(-c3ccc(Br)cc3Br)nc2c1 73638205 SCXDIZDEUSLDLJ-UHFFFAOYSA-N 445.936 6.091 0 40 IKAB COC(=O)c1sc2cc(C(F)(F)F)cnc2c1COc1ccc(Cl)cc1Cl 81225746 HSHQEINZFZMJHN-UHFFFAOYSA-N 436.238 5.988 0 40 IKAB CCc1nc(C)c(C(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)s1 83830229 VNPQRZXSWGUAQR-UHFFFAOYSA-N 439.968 5.399 0 40 IKAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 100252081 UTSDCHSVMLISRD-FHLBMDLUSA-N 444.604 5.892 0 40 IKAB C[C@@H]1CCCN([C@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)C1 102894224 SGWQTDWZVKVZQO-CXAGYDPISA-N 428.945 5.231 0 40 IKAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1cc(Br)cs1 103335959 JJPVMODGMUIOPR-UITAMQMPSA-N 427.245 5.184 0 40 IKAB CN1C[C@H](C(=O)c2ccc(Oc3ccc(Cl)cc3)cc2Cl)[C@H](c2ccccc2)C1 106343173 GDBDLBPXGKPWAX-VXKWHMMOSA-N 426.343 6.314 0 40 IKAB O=C1Nc2ccc(Cl)cc2/C1=C\c1cc(Br)c(O)c(Br)c1 137309340 MPIHOJMBMIMKAJ-XCVCLJGOSA-N 429.495 5.063 0 40 IKAB Cc1cc(C)c(NC(=O)CCCN(c2ccc(Cl)c(Cl)c2)S(C)(=O)=O)c(C)c1 222381732 VNDYPCWPQCEJBM-UHFFFAOYSA-N 443.396 5.104 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 222460866 RSHZUZWGUCQEDD-QHCPKHFHSA-N 426.626 5.118 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222896805 CGPWZUWXKCGGMK-WOJBJXKFSA-N 441.940 5.076 0 40 IKAB C[C@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1 222919062 SJVUPHIYYZPDDL-OAQYLSRUSA-N 436.571 5.182 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Br)s2)N1Cc1ccccc1 223370472 QEQOUURWBSKWNI-ROUUACIJSA-N 430.396 5.078 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 224086532 BNTWOODGMPRPAK-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1 224406747 GWOFZFJXJOQOEB-DNQXCXABSA-N 428.536 5.497 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224596910 FBEJSNGHWQKRKW-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1cccc2ccccc12 224633051 MZAISJSVUOCECH-UHFFFAOYSA-N 441.527 6.387 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccc(Cl)cc3)o2)cc1 224914694 HXQISXHBQPYWND-INIZCTEOSA-N 432.907 6.162 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1 224965813 FIBWWWMNUAXUAI-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)c3ccc(CSc4ccc(C)cc4)cc3)ccc21 225077995 JTAUBQZDUUCNKR-UHFFFAOYSA-N 434.586 5.936 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 225494150 XVMUBYMEDCWJQG-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)cc1 225509683 JGLDTGCYSXZTRK-HXUWFJFHSA-N 434.914 6.743 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 225603120 WGMARQMKDFRDSE-WMZHIEFXSA-N 445.003 5.221 0 40 IKAB C[C@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(Br)c(Cl)c1 225660016 ZFRXDOCRCWNXBC-CYBMUJFWSA-N 425.823 6.145 0 40 IKAB C[C@@H]1CCCN(c2ncc(-c3cccnc3)c([C@H]3CCCN(C(=O)C4CCCCC4)C3)n2)C1 253603941 PLNUAKYXAQBNBW-OFNKIYASSA-N 447.627 5.061 0 40 IKAB Clc1cccc(N=C/C=C(/Nc2cccc(Cl)c2)c2ccc(Br)cc2)c1 254821713 DMNSYNPOOVHBLO-HDQYPBAESA-N 446.175 7.611 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC(C)(C)C)CC1 257243113 IFNNAXZOHMALOC-UHFFFAOYSA-N 440.653 5.529 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccc(F)cc4)o3)cc2c1 257249612 JJBPZPYQSAKKSR-HSZRJFAPSA-N 433.483 5.262 0 40 IKAB COc1cccc(C(=O)O)c1OCC(=O)N(Cc1ccccc1)Cc1ccc(C(C)C)cc1 257289293 PXYJPPDRGPFNGB-UHFFFAOYSA-N 447.531 5.125 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2ccc3ccccc3n2)o1 257345022 ZZPYPNDVRYWIPM-HSZRJFAPSA-N 427.504 5.190 0 40 IKAB O=C(COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1)Nc1ccc(Cl)c(Cl)c1 408551508 DHQLNQCTSOWKHQ-WQRHYEAKSA-N 439.298 5.504 0 40 IKAB S=C(NCc1ccccc1Cl)c1cccc(OCc2ccc(Cl)cc2Cl)c1 408571319 AZTPDAKPXVQNLU-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 408573249 NCVROMRRNREENX-VQHVLOKHSA-N 433.316 5.485 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408638669 DCTSVEMZNHQOSC-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3c(C)cccc3C)cc2)cc1 408906900 KBUMUOAMMKVKEX-UHFFFAOYSA-N 440.590 5.143 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1CCc1ccccc1 409004396 AYJLCPMMOQBNDH-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)c1 409383830 JXBRMSUFWHUIRG-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)ccc2C)c1 409383909 OLBZTNOCFXIODP-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)c1 409383946 QUOHBCUUAHYQIY-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1cc(Br)ccc1Cl 841474 OMRXYTPPBXSTJZ-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 861646 PTNCAYXLMJPMKI-UHFFFAOYSA-N 432.520 5.506 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 951139 QZYMRKVLSFNSOT-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2c(C)noc2C)c2ccccc2)cc1 1353823 JECXFVCDRVYTAE-RUZDIDTESA-N 445.563 5.437 0 40 IKAB Cc1ccccc1CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)NC1CCCCC1 1378227 PDOLWXBEMYJWKR-UHFFFAOYSA-N 431.580 5.232 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1378385 JKIMAZPFQDJDCW-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB Cc1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)c1C 1380135 IDKKJGVQKALVJW-DEOSSOPVSA-N 434.511 5.482 0 40 IKAB O=C1c2ccccc2-c2ccc(NC3(Br)c4ccccc4-c4ccccc43)cc21 1614577 WRQYQFOLTSSEHN-UHFFFAOYSA-N 438.324 6.587 0 40 IKAB COc1cc([C@@H]2[C@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 2107227 HORBLPIYENOYJM-CNXMTQATSA-N 449.591 5.432 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccc4ccccc4c3)n2-c2ccccc2)cc1 2128632 GCRQROOVIWNEPX-UHFFFAOYSA-N 427.960 7.033 0 40 IKAB CC(C)Oc1ccc(CNC(=O)C[C@]2(c3ccc(Cl)cc3)CCOC(C)(C)C2)cc1 2147135 QFXXLWVIGVAWMX-RUZDIDTESA-N 429.988 5.661 0 40 IKAB biogenic CC(C)CCOC(=O)c1c(N)n(-c2cc(Cl)cc(Cl)c2)c2nc3ccccc3nc12 2245825 SQTMBPZWOBWJLF-UHFFFAOYSA-N 443.334 5.666 0 40 IKAB C[C@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 2268143 USPPXVKRCVRMPM-HRAATJIYSA-N 441.358 6.351 0 40 IKAB CCCSc1nc(NCCc2ccccc2)c2c3c(sc2n1)CO[C@](C)(CC)C3 2395013 OQWQLSONQYWFQJ-HSZRJFAPSA-N 427.639 6.089 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1C 2713722 RFTJJEBUYHXFHU-UHFFFAOYSA-N 435.932 5.569 0 40 IKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1cccc(COc2ccc(Cl)cc2)c1 2762495 XKSWRUYYSKZLQA-AOYPEHQESA-N 446.978 5.676 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 3012748 ABFDMKCHUPEWTK-MOPGFXCFSA-N 448.876 6.066 0 40 IKAB O=C(Nc1ccccc1F)c1ccc(OC(=S)Nc2ccc(Br)cc2)cc1 3088969 VHGWIMORDFYWFX-UHFFFAOYSA-N 445.313 5.616 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)c(C)c1 3164400 NFYKFCDCDQWAKT-UHFFFAOYSA-N 444.585 6.388 0 40 IKAB O=C(CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccc2c(c1)OCCO2 3314395 KBQPKBSRVWUIEZ-UHFFFAOYSA-N 436.967 5.063 0 40 IKAB CCN(C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1)c1cccc2ccccc12 3364856 GHLCEEFNHSGGAG-UHFFFAOYSA-N 428.517 5.516 0 40 IKAB COc1ccc(C2=NN(c3ccc(Cl)cc3)[C@@H](c3ccc(Br)cc3)C2)cc1 6924928 CQEVYWFDELVOLS-JOCHJYFZSA-N 441.756 6.467 0 40 IKAB CCn1c2ccccc2c2cc(NC(=S)NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 8433132 RLQACCHLCBDISL-UHFFFAOYSA-N 431.605 5.844 0 40 IKAB O=C(Nc1ccc(NC(=O)C2CCCCC2)c(-c2nc3ccccc3[nH]2)c1)C1CCCCC1 8443763 YLKULRUCICFHKN-UHFFFAOYSA-N 444.579 6.268 0 40 IKAB Cc1ccccc1NC(=O)[C@@]1(c2ccccc2)CC(=O)N1c1ccc(Br)cc1 9129991 GDQZNSGQPAJOSX-QHCPKHFHSA-N 435.321 5.028 0 40 IKAB O=C(Nc1nccs1)c1cccc(NC(=O)c2ccccc2-c2ccccc2C(=O)O)c1 9355163 LFKKDDAAOBQSDT-UHFFFAOYSA-N 443.484 5.013 0 40 IKAB Cc1cc(C(=O)COc2ccc(-c3nnco3)cc2)c(C)n1CCc1ccc(Cl)cc1 9499313 JMRRKBLIEXSNPN-UHFFFAOYSA-N 435.911 5.313 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2ccc(F)cc2)cc1OC 9518441 ZFLPDYDORBXCQG-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB Cc1cc2oc(=O)c(CC(=O)NCCc3ccc(O)cc3)c(C)c2c2occ(C(C)(C)C)c12 9547754 XVJOEDIAGWLZHD-UHFFFAOYSA-N 447.531 5.061 0 40 IKAB Cc1ccc(Nc2cc(C)nc(Nc3ccc(NC(=O)c4cc(C)cc(C)c4)cc3)n2)cc1 9573321 OTHLCBVXACJGNP-UHFFFAOYSA-N 437.547 6.450 0 40 IKAB Cc1ccc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)cc1Cl 9606387 TWYSAIJKDNIETR-FQEVSTJZSA-N 446.284 6.832 0 40 IKAB COc1cccc(-c2c([C@H]3c4ccccc4C(=O)N3Cc3ccco3)c3ccccc3n2C)c1 9668421 NASGONLAAVCVCX-MUUNZHRXSA-N 448.522 6.192 0 40 IKAB COc1cc(CC(=O)O[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)cc(OC)c1OC 9671126 FYULPOWRFZONJI-SANMLTNESA-N 448.515 5.039 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCC(c2nc3ccccc3s2)CC1 9781442 NCULDXSYZPRLGR-UHFFFAOYSA-N 442.610 5.225 0 40 IKAB COCCn1c(S[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nc2ccccc21 9836819 STKNPFFRZCBIQF-QFIPXVFZSA-N 435.524 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3C[C@H]2C)cc1 10326587 RPKLYPDPNBYEGE-LJQANCHMSA-N 434.561 5.004 0 40 IKAB CCOc1ccc(-c2ncnc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 11866381 UVINWACNYYKOSH-UHFFFAOYSA-N 439.231 5.696 0 40 IKAB biogenic COc1ccc([C@@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC 12196766 TXROMJPSJISKAU-CPJSRVTESA-N 434.467 5.094 0 40 IKAB Cc1ncc(-c2ccccn2)c(-c2ccc(CNC(=O)[C@H](C)Cc3cccs3)cc2)n1 12257176 PNROYQHIXHWQMS-QGZVFWFLSA-N 428.561 5.071 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(C[C@H](c3ccc(F)cc3)c3ccco3)o2)cc1 12389586 MIZUIJDVHFLPBR-LJQANCHMSA-N 437.496 5.216 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 12559522 FDGPVDPLYAHUOR-GDLZYMKVSA-N 439.522 6.528 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 12646036 SJADIWHEMSDUNU-UHFFFAOYSA-N 443.572 5.810 0 40 IKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@@H]21 12866951 JVNVZTKUUYCRQT-PZLWSPBMSA-N 432.608 5.758 0 40 IKAB biogenic CC(=O)c1cccc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)o2)c2ccccc2)c1 12918897 HFIKQWSULIGWIZ-FQEVSTJZSA-N 433.489 5.313 0 40 IKAB COc1ccccc1[C@@H]1[C@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 13042162 ZPGLYXBRLNTASV-SHQCIBLASA-N 442.559 5.743 0 40 IKAB O=c1[nH]c(/C=C/c2cccc(OCc3ccccc3)c2)nc2sc3c(c12)CCCCC3 13042427 FRIOIWZJSSNVQO-CCEZHUSRSA-N 428.557 6.003 0 40 IKAB CC(C)(C)c1ccc(C(=O)COC(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 13097580 AVZGUDUPXQSRHG-UHFFFAOYSA-N 448.485 5.040 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(c1ccccc1)c1ccccc1 13163388 RWMRDJOPWQNBNA-UHFFFAOYSA-N 429.951 5.455 0 40 IKAB CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cccc(C)c2[nH]c1=O)C1CCCC1 13500097 FCMQLBSZLNMPDC-HSZRJFAPSA-N 448.615 5.224 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1[C@H](C)Oc1ccccc1Cl 13870841 JAUAZFXURIWJCI-INIZCTEOSA-N 444.988 5.439 0 40 IKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccc(Cl)cc1 16689075 IIQBAICCIVDSKM-UHFFFAOYSA-N 434.967 6.131 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OC)c1 16752000 QBVIEUQWTDPBAX-XMMPIXPASA-N 449.547 5.572 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)COc3ccc(C4CCCCC4)cc3)c2C(N)=O)C1 17095078 ARXZJDFURXKEGI-HNNXBMFYSA-N 426.582 5.037 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)cc1 17096184 ZFZHMBZMERNTIU-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC(C)C)c4)cc3n2)cc1 20611234 WMTXDWAEVWYIIM-UHFFFAOYSA-N 428.536 5.578 0 40 IKAB CCOc1ccc2[nH]c(SCC(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)nc2c1 22118500 QRQWTUQGCBNBON-UHFFFAOYSA-N 446.528 5.147 0 40 IKAB CCc1cccc2c(C(=O)[C@@H](Sc3nnc(-c4cccnc4)o3)c3ccccc3)c[nH]c12 22149127 TVGJLYCPEANQMR-QHCPKHFHSA-N 440.528 5.892 0 40 IKAB C[C@@H](c1nn(CN2CCC[C@@H]2c2ccc(F)cc2)c(=S)n1-c1ccc(F)cc1)N(C)C 26240790 JIXVFDDGRDNDAW-HRAATJIYSA-N 443.567 5.099 0 40 IKAB CC(C)Cc1csc2c1c1nc(-c3ccncc3)nn1c(=O)n2Cc1ccccc1Cl 31821064 QMJVQXWRWYWDID-UHFFFAOYSA-N 449.967 5.068 0 40 IKAB Cc1ccc(NC(=O)c2cc(C)c3c(c2)-c2ccccc2S(=O)(=O)N3C)cc1Cl 33272019 SLCVOGZSLACPKS-UHFFFAOYSA-N 426.925 5.015 0 40 IKAB COc1cc(C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(C)cc1 33392481 MRZWSMIQGQOTNO-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CC[C@H](C(C)(C)C)C3)cc1 33678706 YEZSNQKEGVPQEH-ZDUSSCGKSA-N 438.515 5.961 0 40 IKAB CCCCn1c(SCc2csc(CC(=O)Nc3cc(C)ccc3C)n2)nc(C)c1C 40049964 PKARZGXTNPNNAA-UHFFFAOYSA-N 442.654 5.847 0 40 IKAB Cc1ccc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 44905848 PRDRFCYUKVZESM-SFHVURJKSA-N 429.402 5.155 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)ccc3o2)c(C)c1 59294303 IWZUQDVQRNHAQV-RVDMUPIBSA-N 434.495 7.024 0 40 IKAB O=C(NCc1ccc(Cn2ccccc2=O)cc1)[C@H](Sc1ccccc1)c1ccccc1 60012471 YNLOXSJWJDOXOG-AREMUKBSSA-N 440.568 5.046 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1C 67217268 KJPUQUCQZWYELA-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Clc1ccc(C(c2ccccc2)(c2ccccc2)C(c2ccccc2)c2ccccc2)cc1 90486507 SRPPJPDYGVDJHG-UHFFFAOYSA-N 445.005 8.507 0 40 IKAB O=C1C[C@@H](c2cc(F)c(F)c(F)c2)c2c(ccc3c(=O)c(-c4ccc(O)cc4)coc23)O1 96222250 YYFFFGVCFMDVLV-HNNXBMFYSA-N 438.357 5.024 0 40 IKAB biogenic CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3ccccc3C)OC2=O)cs1 96935662 VBQFHPZOMDIXOQ-CIAFOILYSA-N 431.517 5.097 0 40 IKAB COCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N\c1ccccc1 100857266 JDOJGPFKNMGSNZ-IZHYLOQSSA-N 449.601 5.718 0 40 IKAB FC(F)(F)[C@]1(c2ccccc2)NC(Nc2ccccc2)=N[C@@H]2SC3=C(CCCC3)N21 102197081 LPNUZJDVGVVRFO-LEWJYISDSA-N 430.499 5.591 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 222665153 LIIFFNAKKOJNBU-INIZCTEOSA-N 449.422 5.387 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222711532 HKDNQOMSLDDVJR-INIZCTEOSA-N 435.395 5.176 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222848570 UFTXMIHPWVRMNJ-LJQANCHMSA-N 445.003 5.139 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223081258 DNOZGPFUVKQUIZ-UHFFFAOYSA-N 430.523 5.796 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 223145947 PJIXICVJAZOHNI-SFHVURJKSA-N 433.017 5.156 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCc2nc(-c3ccc(C(C)(C)C)cc3)no2)c1 223183250 NOFOIEWBRZDMBM-GOSISDBHSA-N 435.568 5.550 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 223306420 LMDCEDPAFFKSHP-VWLOTQADSA-N 436.640 5.773 0 40 IKAB CCCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(F)cc1)C(=O)Cc1ccccc1 223492664 XWAQTBDNRWQDHN-HHHXNRCGSA-N 446.566 5.445 0 40 IKAB CC1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)CC1 223916047 VZIHOMYJRXYOFY-UHFFFAOYSA-N 441.000 5.718 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(Cl)cc1 224159905 DPCSDGINXSGNTO-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB CC(C)CSc1nnc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)s1 224332225 BJKNUMBOCSNHNP-SFQUDFHCSA-N 429.998 6.119 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 224333606 CQEYWMBQXBOXCX-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224472015 DKKGMCBGGDXKBP-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB Oc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 224616561 CQXLKBBTGJOMKR-DHIUTWEWSA-N 447.947 5.878 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc2ccccc2c1 224640399 MWBLXDYGXRHCCW-UHFFFAOYSA-N 447.534 7.223 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225026869 IWISTAHXAXVZNJ-DNQXCXABSA-N 433.577 5.655 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 225306784 QLTCNCUMKMHDJF-ROUUACIJSA-N 449.422 5.485 0 40 IKAB C[C@@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 225547959 GNQJWYRZNWFYPE-OAQYLSRUSA-N 438.587 5.777 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 226756169 RUGBRUNQPIXEIM-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB O=C1CCC[C@]2(CN(Cc3ccc4c(c3)Cc3ccccc3-4)C[C@H]2c2ccccc2F)N1 257309839 UCPCWIMPAOLJIK-LBNVMWSVSA-N 426.535 5.035 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)c(Cl)c1 408597128 WOWXFCRVWFHOES-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(Cl)ccc3C)n2)c1 408699000 QTQCWWWXTVAJLD-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4cccc(C)c4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409080726 MKUJJWUAZNOXIH-JFTOOJIJSA-N 445.562 6.035 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1cccc2ccccc12 409113509 GNVNYRBEDZVATR-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3ccc(F)cc3)n(C)c2-c2ccc(OC)cc2)cc1 409197468 GEXLBWUCJRKCFD-RFBIWTDZSA-N 448.519 5.318 0 40 IKAB Cc1ccc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)c1 409355526 DNXUDSUKYAUWLG-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(CC[C@@H](C)c2ccccc2)CC1 585166473 TYFZEYMZLRUKCM-HSZRJFAPSA-N 441.619 5.313 0 40 IKAB O=C(O)c1ccc(-c2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)cc1 643576069 HJQBOASTJVOZJJ-UHFFFAOYSA-N 443.547 5.147 0 40 IKAB O=C(Nc1cccc(O)c1)c1ccc(Oc2cccc(C(=O)Nc3cccc(O)c3)c2)cc1 692454 NZGSMEDCRCATNF-UHFFFAOYSA-N 440.455 5.395 0 40 IKAB COc1ccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900903 XTYIBOBFVYBSTO-CYBMUJFWSA-N 433.455 5.290 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 976168 DIFGXHPIWGKQEL-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1C(=O)N1CCCCCC1 978113 YRCWUMHRRJVNFB-UHFFFAOYSA-N 436.865 5.393 0 40 IKAB COC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccc(Cl)cc3)c(Cl)c1)C2=O 991637 YUCVKRSCKRSILF-UHFFFAOYSA-N 442.254 5.373 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(N2CCCCC2)cc1 1335270 ZLZZMOUTXZNFES-UHFFFAOYSA-N 434.609 5.105 0 40 IKAB O=S(=O)(c1ccccc1)c1cnn(-c2ccc(F)cc2F)c1-c1ccc(Cl)cc1 1396940 VSRKAZVXOTZJOS-UHFFFAOYSA-N 430.863 5.304 0 40 IKAB Cc1nc(C(=O)Nc2cccc(Cl)c2)nn1-c1cc(OC(C)C)c(Cl)cc1Cl 1400991 FBNNZKGOMDHCRN-UHFFFAOYSA-N 439.730 5.575 0 40 IKAB aggregator CCOC(=O)[C@H](Oc1ccc2c(=O)c(-c3ccccc3OC)coc2c1)c1ccccc1 1464038 ATVJIBXSJDXVAH-RUZDIDTESA-N 430.456 5.152 0 40 IKAB biogenic COc1c(C)cccc1C(=O)NC(=S)Nc1cc(-c2nc3ccc(C)cc3o2)ccc1C 2052473 MPDOPECZMBYVHL-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C\c1cccc(OCc2ccccc2)c1 2070439 RXFXJONDMYPUEG-FBHDLOMBSA-N 425.818 5.542 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)cc1 2184811 BENDLAWLLQCHMM-UHFFFAOYSA-N 431.941 5.487 0 40 IKAB Cc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(C(C)(C)C)cc1 2258961 SYXBAMZMLFTGBB-UHFFFAOYSA-N 439.671 7.708 0 40 IKAB COc1ccc([C@H](Nc2ccc(Cl)c(Cl)c2)P(=O)(OC(C)C)OC(C)C)cc1 2286155 AGKHSPAWJHWEEK-HXUWFJFHSA-N 446.311 7.156 0 40 IKAB CC(C)O[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccccc1F 2380208 QRAKUKZKAKDXCX-HLADLETHSA-N 426.472 6.031 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)oc3cc(OCc4ccccc4F)ccc3c2=O)cc1 2410284 RGUGXRNZWQTZRD-UHFFFAOYSA-N 444.380 6.206 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2417711 NZFBFCZKLSYSOO-CVDCTZTESA-N 431.532 5.123 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 2443817 LLDSYOPUMBLVIZ-UHFFFAOYSA-N 428.989 5.692 0 40 IKAB CC(C)(C)c1ccc(NC(=O)c2cccn(Cc3cccc(C(F)(F)F)c3)c2=O)cc1 3063527 YLMWVLMKSXFZOH-UHFFFAOYSA-N 428.454 5.465 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1Nc1ccc(SC(F)F)cc1 3193538 BHJHPBVDGIXULH-UHFFFAOYSA-N 438.421 7.016 0 40 IKAB COc1cccc(N(CC(=O)Nc2ccccc2C(C)C)c2nc3ccccc3s2)c1 3290939 LBYQSLOAOAWKFZ-UHFFFAOYSA-N 431.561 6.205 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nnc(Nc2ccccc2F)s1 3295074 NMDSMZWIPQMFJJ-UHFFFAOYSA-N 430.574 5.340 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1 3422926 SMTOLNFWCGARKR-UHFFFAOYSA-N 439.355 7.077 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)COc4ccc(C(C)(C)C)cc4)c3)nc2c1 3770778 HSYUUFPESGYKEA-UHFFFAOYSA-N 428.532 6.372 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 3865097 ZCJKFYHNWQJUCU-WOYJLCBPSA-N 430.529 5.220 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CCC(=O)N(Cc2ccccc2)Cc2ccccc2)cc1 4114064 AZDNRTLXKFQZBP-UHFFFAOYSA-N 428.576 5.932 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCC2CCCCC2)CC1=O 7543461 HSLLSRORIASHGO-NRFANRHFSA-N 431.580 5.926 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@H](C(C)C)C1)Cc1ccccc1F 8770525 NSCNRUHMLAWIIP-BDYUSTAISA-N 441.587 5.736 0 40 IKAB Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)c1C 8922532 UNBGJUKCDQEGHS-MHZLTWQESA-N 447.962 5.581 0 40 IKAB O=C(Cc1csc(SCc2cccc(Cl)c2)n1)NCCc1c[nH]c2ccccc12 8939034 RAJGHVGFAYNCLZ-UHFFFAOYSA-N 442.009 5.472 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 9096383 CZMXPLKOAJVGGV-CYBMUJFWSA-N 442.302 5.280 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)c1 9191896 MWJWQMZBPVTJGS-JOCHJYFZSA-N 430.891 5.516 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4cccc(OCc5ccccc5)c4)ccc3o2)cc1C 9226533 XUYIQPDFXNYSTG-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2cccc(C)c2)cc1 9309318 IENHEIUFSXULSM-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ncccc4o3)ccc2C)c(F)c1F 9594770 PHZRKPVUMSAWIS-UHFFFAOYSA-N 431.345 5.016 0 40 IKAB Cc1ccc2nc(NC(=O)Cc3csc(NC(=O)c4ccc(Cl)cc4)n3)sc2c1 9627907 HCUAWRUFBYLNTO-UHFFFAOYSA-N 442.953 5.148 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2C(C)C)nnc1-c1cccnc1 9663852 PZGKMLNWRGWJCO-UHFFFAOYSA-N 443.576 5.492 0 40 IKAB CN(C)C(=S)S[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1 9703494 HJOIJOGYGMSWSD-OAHLLOKOSA-N 432.920 5.618 0 40 IKAB CCCCn1c(SCC(=O)Nc2cccc(Cl)c2)nc2c(oc3ccccc32)c1=O 9749283 RBJUDPIZDPAMBD-UHFFFAOYSA-N 441.940 5.327 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 9781623 UFFYDIUXRPTHSJ-UHFFFAOYSA-N 428.469 5.331 0 40 IKAB Cn1c(COc2ccc(Cl)cc2)nnc1S[C@@H](C(=O)c1ccccc1)c1ccccc1 9873063 RFGMFQHTNJPIQM-HSZRJFAPSA-N 449.963 5.764 0 40 IKAB O=C(CSc1ccc2c(c1)OCCO2)N1N=C(c2cccs2)C[C@H]1c1cccs1 9911347 WWSNVJSVIZOYJW-INIZCTEOSA-N 442.587 5.051 0 40 IKAB CCc1onc(C)c1C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2ccccn2)cc1 12222229 OHLHKHUOMASCPX-UHFFFAOYSA-N 441.535 5.118 0 40 IKAB Cc1ccc2nc(-c3ccccc3)cc(-c3nn4c(Cc5ccccc5)nnc4s3)c2c1 12273742 KVYOUDMTTAFTDB-UHFFFAOYSA-N 433.540 5.967 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1cccc(C)c1 12350301 KAVMVKKDZLPXHQ-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB COc1ccc(OC)c2c1[C@@H](c1cccc(NC(=O)C3CCCC3)c1)O[C@H]1CCCC[C@H]21 12420168 GXAPBFIBEHYHFO-ISJBWFOZSA-N 435.564 5.978 0 40 IKAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)COc1ccccc1-c1ccccc1 12531840 MRZZBDNEDHKMTJ-UHFFFAOYSA-N 445.437 5.415 0 40 IKAB Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@@H](c1ccc(Cl)cc1Cl)N2 12628917 HEDRGVJCZWTCTD-UONOGXRCSA-N 429.138 5.620 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(S(=O)(=O)C(F)F)cc1 12636831 YCPKKHWHFSNQNP-UHFFFAOYSA-N 445.531 5.403 0 40 IKAB COc1cccc(NC(=O)N2CCC(NC(=O)Nc3ccccc3-c3ccccc3)CC2)c1 12644658 PXKHXGZEAURCIV-UHFFFAOYSA-N 444.535 5.180 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(-c4ccccc4)cc3)c3ccccc3C2=O)cc1 12651828 KYIIHTQJOBGUHT-DIBXZPPDSA-N 430.507 6.302 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc([C@@H](C)O)c4)c3N2)cc1 12850814 HIFMEZWRVWHWBI-UAOJZALGSA-N 444.457 5.157 0 40 IKAB CC[C@@H](C)c1ccc([C@@H](NC(=O)CCn2ncc(=O)c3ccccc32)c2cccs2)cc1 13022385 GKHIMJVZGKSSLM-WXTAPIANSA-N 445.588 5.267 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)N1CCC(c2nc3ccccc3s2)CC1 13039368 XWELIGQWCRSCLY-UHFFFAOYSA-N 437.565 5.508 0 40 IKAB COc1ccc2cc(/C=C/c3nc4ccccc4c(=O)n3-c3ccc(C(=O)O)cc3)ccc2c1 13087079 RWASLWQKJGIXES-VIZOYTHASA-N 448.478 5.416 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2cccc(F)c2)n1-c1ccc(C)cc1 13098904 JTBPNGAUFDWWNZ-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(F)cc2Cl)c1 13109072 JXJHLXRQVZPFLF-UHFFFAOYSA-N 442.903 5.275 0 40 IKAB C[C@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13115195 WDDAJAQMASXEHU-QMMMGPOBSA-N 432.880 5.325 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(C4CC4)n3CC)c3ccccc3)c[nH]c12 13119934 DSQXDTCMPMXODV-HSZRJFAPSA-N 430.577 5.935 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(Cl)cc2Cl)n2c(nc3ccccc32)N1 13634924 SMESCQMDDRJCSJ-HXUWFJFHSA-N 430.335 5.975 0 40 IKAB CCOc1ccccc1CCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 13670481 QKRVCYGSUILZMN-UHFFFAOYSA-N 440.008 6.394 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1CCc1ccccc1 13688294 VJLUYVNAJYIEHJ-UHFFFAOYSA-N 437.608 7.325 0 40 IKAB CCOc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(C)cc4)c23)cc1 13751996 CVBMWHOFVXUVQK-UHFFFAOYSA-N 435.574 5.796 0 40 IKAB CCCCCCOc1ccc(OCCOc2ccccc2/C=C2\SC(=N)NC2=O)cc1 13943636 UZPNWKMQXAGXPJ-XLNRJJMWSA-N 440.565 5.242 0 40 IKAB CCOc1ccccc1-c1nnc(SCC(=O)Nc2cccc3ccccc23)n1CC 14085504 GTTXZBBBLCDSKP-UHFFFAOYSA-N 432.549 5.248 0 40 IKAB COc1ccc(-c2cc(NC(=O)[C@H](NC(=O)Nc3ccccc3)C(C)C)ccc2OC)cc1 14125954 RCLFAUQZDHAVOH-XMMPIXPASA-N 447.535 5.156 0 40 IKAB O=C(/C=C/c1cccc2cccnc12)OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2 14812056 IIQKRHZZUQQXOC-RTHIIRHPSA-N 441.458 5.738 0 40 IKAB C[C@@H](NC(=O)C1CCN(c2ccc(C(F)(F)F)cn2)CC1)c1cccc(C(F)(F)F)c1 14942193 YAJSIFOSQLROTL-CYBMUJFWSA-N 445.407 5.213 0 40 IKAB Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCCC1)(Sc1ccccc1)CO2 15229086 VLKXHQUBUFTLAX-JOCHJYFZSA-N 446.410 5.350 0 40 IKAB COc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Oc2ccccc2)cc(OC)c1OC 15277002 QNBSEEGFWGMTOJ-UHFFFAOYSA-N 447.409 5.776 0 40 IKAB Cc1ccc(NC(=O)NC[C@H]2C[C@H](CNC(=O)Nc3ccc(C)c(C)c3)C2(C)C)cc1C 16312497 RGFFSHQHUIVXTQ-NHCUHLMSSA-N 436.600 5.526 0 40 IKAB Cc1ccc(CNc2nc(Nc3ccc(C)c(C)c3)c3cnn(-c4ccccc4)c3n2)cc1 17041634 VXVZWHFCAJLOKX-UHFFFAOYSA-N 434.547 6.096 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc(C)cc(C)c4)cc3n2)cc1 17098271 KUNYKCYXBBXYEL-UHFFFAOYSA-N 432.955 6.286 0 40 IKAB CCc1ccc([C@@H]2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccccc4)N3C2=S)cc1 17724630 XZFKBVYYEYUQPB-BFLUCZKCSA-N 436.580 5.740 0 40 IKAB COc1ccc2[nH]c(S[C@H](C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)nc2c1 17989069 XGDCHCXXOCVUGL-QFIPXVFZSA-N 431.517 5.246 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)s1 19687896 XRGYOSYTOBVQSJ-FQEVSTJZSA-N 445.510 5.742 0 40 IKAB Cc1nc(-c2cccs2)c(CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)s1 19819560 NNDUGENPTUHTAL-UHFFFAOYSA-N 432.014 5.115 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1oc2ccccc2c1Cl 19894090 OWWMGAHYXGIFFE-UHFFFAOYSA-N 434.904 6.624 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)/C(=C/c1ccccc1Cl)c1ccccc1)c1ccccc1 20036370 VQCSEICBEAIINY-NIJSQZSCSA-N 437.970 7.095 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)cc2C)c1)c1ccccc1 22516470 HBZAZCHCSICHRK-JOCHJYFZSA-N 436.577 5.294 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(CSc3nc4ccccc4s3)n2CC)n1 27777795 HOHUKQAUCFRTEE-GFCCVEGCSA-N 446.627 5.389 0 40 IKAB COc1cc(C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc(OC)c1OC 30855013 FVLDDARJFNCEKH-UHFFFAOYSA-N 447.531 5.493 0 40 IKAB CCn1c(COc2ccc(Cl)cc2)nnc1SCC(=O)N(c1ccccc1)C(C)C 32604138 FUWZCVCNQUTDII-UHFFFAOYSA-N 444.988 5.064 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1)c1cccs1 32882505 FGBTYLDZHDCCSA-JOCHJYFZSA-N 444.560 5.115 0 40 IKAB Cc1oc(-c2cccs2)nc1CC(=O)OCc1ccc(C(=O)Nc2ccccc2)cc1 32936200 FMWRFHGOBMRNJR-UHFFFAOYSA-N 432.501 5.250 0 40 IKAB Cc1cccc(NC(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)c1 33265114 ZGBGDFVDUQMSJY-UHFFFAOYSA-N 442.544 5.164 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272045 SXVYCXVHRRIZJB-UHFFFAOYSA-N 434.561 5.485 0 40 IKAB Clc1ccc(/C=C2/CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 36056435 AMGADLQGZRNVQK-KXENESABSA-N 433.382 7.794 0 40 IKAB CC1(C)Oc2ccc(NC(=O)Cc3csc(-c4ccc(C(F)(F)F)cc4)n3)cc2O1 58369673 LIGSGEXBHWUHPJ-UHFFFAOYSA-N 434.439 5.517 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1cccc(Cl)c1 59418217 LAAGSDDGJJVIAJ-CIAFOILYSA-N 439.895 6.299 0 40 IKAB CSc1ccc(-c2noc(-c3nn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1 64949788 FRTHKSXZHUOZBS-UHFFFAOYSA-N 426.501 5.133 0 40 IKAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4cccc(Br)c4)cc3s2)n1 72229760 QJXQMEPDKVBQAM-UHFFFAOYSA-N 427.327 5.114 0 40 IKAB C[C@H](NC(=O)c1sc2cc(Cl)cc(Cl)c2c1Cl)c1ccc2c(c1)CC(=O)N2 84651718 PVJFJLXRZDQARR-QMMMGPOBSA-N 439.751 5.847 0 40 IKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(F)cc1F)n2-c1ncccn1 96062681 HPIRYXPLQINDEO-UHFFFAOYSA-N 445.473 5.164 0 40 IKAB Cc1c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc2n1C 100156308 WSSSPCMMHYNNFX-CALCHBBNSA-N 434.565 5.302 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CCC2)Nc1ccccc1 101592364 AJLHQTMFTVNDAX-VLGSPTGOSA-N 438.483 5.500 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@H]1c1ccc(F)cc1 102481053 CUXOBOVWMVSPFU-PIIWDFAUSA-N 440.518 6.786 0 40 IKAB Cc1cccc(C)c1N(Cc1ccc(C(=O)NC2CCCCCCC2)cc1)S(C)(=O)=O 222385356 LYQNCSVULPWHAJ-UHFFFAOYSA-N 442.625 5.112 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 222683407 RLNZYHXWFPDVDK-PUCZYUMASA-N 426.948 5.644 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222785584 IWYAJDRZUYARBS-SFHVURJKSA-N 447.044 5.214 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4cccc(Br)c4)ccc32)c1 223082897 VOHZRFRSSATOAA-UHFFFAOYSA-N 449.348 5.603 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 223375030 FITLNWVVWHBOGB-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224051994 WAHDYZHKAFXIEM-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C(C)(C)C 224175082 VZSPRIFUPKQOIS-UHFFFAOYSA-N 435.589 6.546 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(Cl)c(C)c1 224206006 ZODKHCMQWHGRME-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COCc1ccccc1 224457928 KQGGNIUIYRIPSL-UHFFFAOYSA-N 430.331 5.649 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(Cl)c(C)c1 224542301 XKJKMSRFUVCCKK-UHFFFAOYSA-N 437.967 7.002 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 224557185 SZDBFLOEDXCFRE-DEOSSOPVSA-N 440.653 5.365 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1COc1ccccc1C(C)C 224568018 DKSSRRRFCJAEJW-UHFFFAOYSA-N 447.531 5.827 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225173168 DEFVYEZCXOBNCD-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)c1 225768662 ZPKMTMAXPSCIBF-QFIPXVFZSA-N 438.980 5.819 0 40 IKAB Cc1cc(OCC2(CC(=O)N3CCCCC3)CCN(C(=O)CC(C)C)CC2)ccc1Cl 257210070 BTACLVXHDQWPSO-UHFFFAOYSA-N 449.035 5.085 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cccc(F)c2)CC1 257276610 NUMDFNADGDIVHZ-UHFFFAOYSA-N 444.550 5.094 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)o2)c1 257282303 OTFRHQAGUALLBO-GOSISDBHSA-N 447.510 5.223 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)NC(SCc2cccc(C)c2)=N[C@H]1c1ccccc1 408988673 IUSSWWFWZWXLRB-DEOSSOPVSA-N 442.584 5.903 0 40 IKAB O=C1N/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C(=O)N1c1ccccc1 409009626 HAHPWIWQKXFWID-YZSQISJMSA-N 443.506 5.940 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccc(F)cc1 409115510 MOXDMSJLUVGSBU-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OCC(C)C)cc3)C2=O)c(C)c1 409182761 NZYYDOZWKSLSIX-MTJSOVHGSA-N 438.549 5.013 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)c1 409383099 ZDXXJLYMCWNQPN-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1cccc([C@@H]2[C@@H](c3ccccc3)CCN2C(=O)Nc2cccc(-c3ncco3)c2)c1 543311734 QXEWPTFAAZRJPA-JWQCQUIFSA-N 439.515 6.113 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4cccc5ncccc45)C3)c2C)cc1 643586770 CGAZZBQEGHCWGT-NRFANRHFSA-N 436.555 5.924 0 40 IKAB COc1cc(C)c(/C=C(/Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1C(C)C 1526035283 BSAUMLINDGSZNG-YBFXNURJSA-N 444.940 6.048 0 40 IKAB OCCN(Cc1ccccc1)C1=NCCCCCCOc2ccccc2Oc2ncccc21 1615141489 LYUWZTDQWGLBOV-UHFFFAOYSA-N 445.563 5.068 0 40 IKAB COc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 883149 AWOWXLPLHQISMD-SFHVURJKSA-N 449.620 5.307 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 937238 IHUNAHDTDZBDDK-UHFFFAOYSA-N 429.303 5.572 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(OC)c4)ccc3o2)cc1Cl 986846 QYMPPFZMTNERCB-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2OCc2ccccc2)cc1OC 1098012 LGPDKHADQVHERP-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccc(F)cc3)cc2c1 1327148 HYUCTWXCRFYNCS-UHFFFAOYSA-N 435.524 5.525 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2cc1C 1371175 QUZDGKZQTXSFJL-UHFFFAOYSA-N 445.950 6.033 0 40 IKAB Cc1ccccc1-n1c(N)c(C(=O)NCc2ccccc2Cl)c2nc3ccccc3nc21 2251796 ZXQWRYCLLUBCHO-UHFFFAOYSA-N 441.922 5.048 0 40 IKAB CCOc1ccc2c(c1)-c1c(sn(-c3cc(Cl)cc(Cl)c3)c1=S)C(C)(C)N2 2291852 WCBSBTKJJDBHIU-UHFFFAOYSA-N 437.417 7.301 0 40 IKAB COc1ccc(-c2csc3ncnc(N(C)CCc4ccc(OC)c(OC)c4)c23)cc1 2621633 NBDHLJNYHZEYDR-UHFFFAOYSA-N 435.549 5.063 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(OCC(C)C)cc2)sc2c1CCCCCC2 2752287 RROOBXFGZZDWEA-UHFFFAOYSA-N 429.582 5.871 0 40 IKAB COc1ccc(CNc2oc(-c3cccc4ccccc34)nc2P(=O)(OC)OC)cc1 2908130 UUJHIJUIJBLWFW-UHFFFAOYSA-N 438.420 5.227 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1CCc1ccccc1)c1ccc(Cl)cc1 2970147 RUABRPQCADYPMR-UHFFFAOYSA-N 434.948 5.268 0 40 IKAB CCCC[C@@H](CC)CN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 3205211 KGHLJBPWRRBGSW-FIOICXDGSA-N 444.497 6.039 0 40 IKAB O=C(COC(=O)C1(c2ccccc2F)CCCC1)Nc1c(Cl)cc(Cl)cc1Cl 3239176 MQDDPUXCGBBSMX-UHFFFAOYSA-N 444.717 5.780 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1F 3865101 KVALJVQIKPOBBW-TYDKAVGKSA-N 447.531 5.964 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3)nc3c(C)c(Cl)ccc23)cc1 8383506 AXDZMIAGHLBRGB-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Br)cc1 8862142 JJYDQTFISJZUHI-LLVKDONJSA-N 449.399 5.223 0 40 IKAB C[C@@H]1C[C@H](N(C(=O)c2ccccc2)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1 8984029 CJIMPNHZPWPCSQ-DFHRPNOPSA-N 446.550 6.514 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N[C@@H](C)c1ccccc1 9059466 NAHSPFVPZUIBTN-GJZGRUSLSA-N 431.483 5.520 0 40 IKAB Oc1cc(OCCN2CCCCC2)ccc1-c1n[nH]cc1-c1ccc(Br)cc1 9059641 ZQJDLCDTYZLDEH-UHFFFAOYSA-N 442.357 5.077 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9161090 ZHOJGJDPGDKWIB-HSZRJFAPSA-N 442.540 5.585 0 40 IKAB Cc1ccc(C(=O)N(Cc2ccc(F)cc2)C2CCCCC2)cc1NC(=O)c1ccco1 9252863 ULBQSCHMNVKLSQ-UHFFFAOYSA-N 434.511 5.955 0 40 IKAB Cc1ccccc1Cn1cc(SCC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 9394408 XJMWGFWZCDEZSV-UHFFFAOYSA-N 444.556 5.135 0 40 IKAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1cccc2ccccc12 9414584 UIAKXQWQTNDANQ-QHCPKHFHSA-N 428.513 5.642 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1c1ccccn1 9487632 WNDHLPYMBVOIQD-IBGZPJMESA-N 441.245 5.384 0 40 IKAB COc1ccc(-c2noc(CSc3nc(C(F)(F)F)nc4ccccc34)n2)c(OC)c1 9517005 YORBYWGTUSKBSC-UHFFFAOYSA-N 448.426 5.008 0 40 IKAB c1coc(-c2cc(CSc3nnc(Cc4cccs4)n3C3CCCCC3)no2)c1 9778403 LDAYZZBZUOEPHH-UHFFFAOYSA-N 426.567 5.976 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)Nc1ccccc1F 9989002 QVQYSLIKJUETCP-UHFFFAOYSA-N 430.574 5.306 0 40 IKAB COc1ccc(C)c2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc12 10254387 LGQYPNPJWKJPAZ-UHFFFAOYSA-N 449.601 5.506 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1cc(Cl)ccc1C 11119357 WNLVLTRYKGNCPH-UHFFFAOYSA-N 440.952 5.025 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@@H]1c1ccc(OC)cc1OC 11455096 XSBFOWUFNZKBFC-OAQYLSRUSA-N 430.976 5.258 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@H]1CC/C2=N\N=C\c1ccc([N+](=O)[O-])s1 11667008 BKFIBDWKIPCPQA-IWWHTUOISA-N 441.597 5.755 0 40 IKAB COc1ccc([C@H]2c3cccn3CCN2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 12344282 WKZAYYXVNXXTPH-DEOSSOPVSA-N 433.552 5.440 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccc(C)cc3)C[C@@H]2c2ccccc2)cc1 12558997 TWYYEZFPVJUTSA-GDLZYMKVSA-N 446.550 6.916 0 40 IKAB Cc1noc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(Br)cc3F)c12 12748483 UDJJDYNRSGXFRJ-UHFFFAOYSA-N 426.245 5.352 0 40 IKAB CN(C)[C@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3)c1ccccc1 13014177 XMZLXZHLHQLRMQ-HXUWFJFHSA-N 429.593 5.347 0 40 IKAB COc1ccc(CN(Cc2cccs2)C(=O)COc2ccc(Cl)c(C)c2)cc1OC 13075428 KMBGHQGLIVWURH-UHFFFAOYSA-N 445.968 5.335 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(Cn1nc(SC)sc1=S)CC2 14187266 ZIGPDMKFDBCCCI-LJQANCHMSA-N 445.635 5.018 0 40 IKAB C[C@H](Sc1ccc2c(c1)OCCCO2)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 14244613 XEPXOGVBTXDYQD-LBPRGKRZSA-N 442.587 5.728 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1cc(-c2nc3ccccc3o2)ccc1Cl 14272193 RGDVZEJRSOALCG-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB CCCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 14272988 CGCPBZFOINSGNR-PKNBQFBNSA-N 443.330 6.644 0 40 IKAB Cc1csc(N(C(=O)C2CCN(C(=O)c3ccc(Cl)cc3)CC2)c2ccccc2)n1 14586572 JTSWCGABJHSNNZ-UHFFFAOYSA-N 439.968 5.322 0 40 IKAB O=C1C[C@@H](c2ccc(F)c(Br)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15084949 HDVQAVPCQBRRHA-LBPRGKRZSA-N 446.297 5.489 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)cc1C 15906064 IYXPIIACAKBMGA-UHFFFAOYSA-N 444.585 6.388 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373218 KZLGVXDNXDHCAT-CVDCTZTESA-N 425.536 5.302 0 40 IKAB CCn1cc(C(=O)N2CCC[C@@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)c(C)n1 19524456 OMKAPTBQYWFNLO-HXUWFJFHSA-N 427.552 5.083 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(Cl)cc4C)cc3)nc2c1 19648272 OREFCVBGJZMEEU-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB CCn1c(SCc2nnc(-c3ccccc3Cl)o2)nnc1-c1ccccc1Cl 19928311 REULVTNHMIQXIR-UHFFFAOYSA-N 432.336 5.614 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1cccc(OC)c1 21005770 YUGLQNXAVFJIPC-DEOSSOPVSA-N 443.478 5.173 0 40 IKAB O=C1CN(C(=O)CCCc2ccccc2)[C@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047994 POESWAAQTCQGMD-RUZDIDTESA-N 436.914 5.372 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(Cl)c1Cl 32092192 MMYLWYHSGACQNT-OAHLLOKOSA-N 433.270 5.476 0 40 IKAB Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCc1nc(-c2cccs2)no1 32925823 CYCDXROGZDQPLX-UHFFFAOYSA-N 447.520 5.322 0 40 IKAB CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)cc1 33026455 WDVUQISUOSVESV-UHFFFAOYSA-N 444.560 5.502 0 40 IKAB CC(=O)c1ccc(-c2ccc([C@@H]3CC(O)=Nc4c3c(C)nn4-c3ccc(Cl)nn3)o2)cc1 36357233 XSEWQRQHYRINAC-INIZCTEOSA-N 447.882 5.210 0 40 IKAB Cc1nc(-c2cccc(NC(=O)Cc3csc(NC(=O)c4ccsc4)n3)c2)cs1 38575669 LOLVTTIHSCWMGO-UHFFFAOYSA-N 440.575 5.070 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1NCc1ccc(F)cc1 39844387 XPGOZGPHJNCANZ-UHFFFAOYSA-N 426.444 5.065 0 40 IKAB CC(C)CNC(=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 40309852 ZLYQIMSFKCNNRR-QUKDRKDGSA-N 447.704 5.166 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccc(F)cc2)c(Cl)c1 41076872 GCCXQEQWXIQRKY-UHFFFAOYSA-N 439.943 5.916 0 40 IKAB CCOP(=O)(OCC)c1ccc(C2N(c3ccccc3)CCN2c2ccccc2)o1 44831237 ZYFDKKGYVZEZOX-UHFFFAOYSA-N 426.453 5.196 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NS(=O)(=O)Cc3ccc(Cl)cc3)c2)cc1 44900263 XGCLOUIQPRZMHB-UHFFFAOYSA-N 441.980 5.810 0 40 IKAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)c1ccc(N2CCc3ccccc3C2)cc1 58141885 OSBABEBDPDSRGD-UHFFFAOYSA-N 425.532 5.159 0 40 IKAB CC(C)CCn1nc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c2ccccc2c1=O 58155433 UFRNTDUABKEQKH-UHFFFAOYSA-N 441.934 5.040 0 40 IKAB CCCn1c(SCCc2nc3ccccc3c(=O)[nH]2)nc2ccc(C(F)(F)F)cc21 60037444 YNBWSKKVJJHJHJ-UHFFFAOYSA-N 432.471 5.036 0 40 IKAB Cc1cccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)c1 71327647 NRZGLRHDGNRRMV-UHFFFAOYSA-N 426.994 5.955 0 40 IKAB Cc1cccc(NC(=O)Nc2cccc3c2N(CC(=O)Nc2cccnc2Cl)CCC3)c1 72308726 XUIXVFGMMFXJCS-UHFFFAOYSA-N 449.942 5.079 0 40 IKAB O=C(CCSc1nnc(-c2cccs2)n1C1CC1)Nc1cccc(Br)c1 78823975 UZYXYEYGAIKAMW-UHFFFAOYSA-N 449.399 5.225 0 40 IKAB O=C(COC(=O)c1ccccc1NCCc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC2 95944714 GOJQITKSMSKLMZ-UHFFFAOYSA-N 448.950 5.279 0 40 IKAB CCCOc1ccc([C@@H](C2=C(O)CC(C)(C)C[C@H]2O)C2C(=O)CC(C)(C)CC2=O)cc1 100511306 UCQZQYKKEPURTG-GCJKJVERSA-N 428.569 5.126 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2ccccc2o1 101189108 ZIRZWIYVRIZTAT-UHFFFAOYSA-N 447.347 5.749 0 40 IKAB C[C@@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@H]1C[C@@H]2CC[C@@H]1C2 101530985 RFBBNAHDSTYUGA-NTSLAIKJSA-N 432.490 5.098 0 40 IKAB CC(C)(C)c1ccc(N2C(=S)N[C@H]3C[C@@]2(C)Oc2ccc(Br)cc23)cc1 102448630 UXQKIQFCOINMCQ-LAUBAEHRSA-N 431.399 5.681 0 40 IKAB CC(C)(C)NC(=O)[C@@H]1[C@@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C 102674019 CRSMIGCCDJDVOE-DHIYETBGSA-N 426.560 5.497 0 40 IKAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]2ON1c1ccccc1 102763386 IRKTWDNRKMSRGK-UODIDJSMSA-N 434.495 5.199 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c1 107563398 BBOYZNTUBUHRGK-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 118925026 YYFZLFRYFOLELG-PAMFVNDTSA-N 431.661 7.605 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CSCc1cc(C)cc(C)c1 223087799 ZUTFSLRAZTVSPN-WOJBJXKFSA-N 444.616 5.008 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)N[C@H](C)CC 223848399 ZCQHOQWYFOMVIK-IERDGZPVSA-N 435.395 5.258 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2C)cc1 224012334 JDUQBDCOELRKNB-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc(Cl)c(C)c1 224207271 MQRJLMCIICYPLP-UHFFFAOYSA-N 425.912 5.805 0 40 IKAB CC[C@@H](C(=O)Nc1ccc2c(c1)oc1ccccc12)N(c1ccc(C)cc1)S(C)(=O)=O 224304389 VZIXDLDAJMSTAC-NRFANRHFSA-N 436.533 5.078 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224363262 NJLWZYPBNKNMNS-RPBOFIJWSA-N 442.588 5.825 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224415733 SMDDAGMZLSGUFA-GOSISDBHSA-N 449.422 5.342 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1)c1cccc(F)c1 224956076 UAYJZHNCIXWXLJ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028390 MRRDGEYSJBYBHW-GOTSBHOMSA-N 437.996 6.219 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225073289 AMTWMAIGGVERTD-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)CSc1ccccc1 225126855 XLQHBONXUSBBCV-SFHVURJKSA-N 445.028 5.298 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(OC)c(C)c1 225473917 WXVQPYHWXMKOJV-JOCHJYFZSA-N 432.967 5.276 0 40 IKAB Cc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1-c1ccc(C(=O)O)o1 226355542 CVJPGBKPUYJOCT-UHFFFAOYSA-N 436.533 5.378 0 40 IKAB CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCCN1Cc1ccc(Cl)c(F)c1 257200236 ACNXWMWBUBNUMP-JOCHJYFZSA-N 440.950 5.202 0 40 IKAB CCOc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1ccc(Cl)cc1 408633357 XXKPQQOHKRODTG-ODLFYWEKSA-N 446.912 5.227 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OCC 408681603 YLSYMOFPHBLVCN-UHFFFAOYSA-N 443.590 5.577 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408698754 PDSJEHDNUVHOIQ-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cc(C)ccc2C)c1 408699509 XHYZJMLJNLXQQR-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(Cl)cc1N[C]1NC(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S1 408810173 LPYBPRIHANRUHL-UHFFFAOYSA-N 431.965 5.552 0 40 IKAB CCc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1 409119861 UOBUANCJLDCSCB-UHFFFAOYSA-N 436.382 7.900 0 40 IKAB CCOc1cc(C[C@@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccc(F)cc1 409145278 NYYGTOJCQRCVSZ-NRFANRHFSA-N 431.529 5.066 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccccc1-c1ccccc1 409184650 YMVZLWJDWWSKIY-SANMLTNESA-N 426.899 6.788 0 40 IKAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](c2ccccc2Cl)S(=O)(=O)CC1 575616891 LCABCRYUBQSLSG-NRFANRHFSA-N 445.993 5.071 0 40 IKAB Cc1cccc(Cl)c1NC(=O)Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1 825591142 SAEWWGDBOLHEEN-UHFFFAOYSA-N 427.291 5.459 0 40 IKAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C(=O)CCc3ccccc3)C[C@@H]1CCO2 1534646915 WEPRYMRZZMQOIY-GOTSBHOMSA-N 434.580 5.019 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nnc(SCc2ccccc2F)s1 702348 KEQRVKWVVMFUJU-ZWNOBZJWSA-N 432.373 5.499 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)o1)N(c1ccccc1)c1ccc2ccccc2c1 892368 VFGMLIIXXTWJQD-UHFFFAOYSA-N 438.512 5.742 0 40 IKAB Nc1c(C(=O)Nc2c(Cl)cccc2Cl)sc2nc3c(c(C(F)(F)F)c12)CCC3 971488 JYSABAULTMZBCF-UHFFFAOYSA-N 446.281 5.945 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)Nc2ccccc2)c1 1371190 SYLLHIQGDRRLRA-UHFFFAOYSA-N 439.559 5.730 0 40 IKAB O=C(Cn1c(CSc2ccc(Cl)cc2)nc2ccccc21)Nc1ccc(Cl)cc1 1400790 HNWBIIFMQOCTHC-UHFFFAOYSA-N 442.371 6.274 0 40 IKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(OCc2ccccc2)cc1 1774757 SSVOUGHLAICJSM-UHFFFAOYSA-N 426.516 6.351 0 40 IKAB Cc1ccc2c(c1)N(C(=O)Cc1cccc3ccccc13)C(C)(C)c1ssc(=S)c1-2 1823528 OOMCGGDZVDGNLM-UHFFFAOYSA-N 447.650 7.492 0 40 IKAB CC(C)Cc1nc2sc3c(SCCc4ccccc4)ncnc3c2c2c1CCCC2 1834731 ZGHPARXHUMLPNA-UHFFFAOYSA-N 433.646 6.652 0 40 IKAB CCCCc1cc(=O)oc2c(C)c(OC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)ccc12 2151834 PSWOYKKYSOAVFZ-IBGZPJMESA-N 445.556 5.289 0 40 IKAB biogenic CCc1cc2c(=O)c(-c3ccc4c(c3)OCCCO4)c(C)oc2cc1OCc1ccccc1 2152089 FMMYWMSPJSOUIJ-UHFFFAOYSA-N 442.511 6.071 0 40 IKAB biogenic CCc1ccccc1/N=C1\S/C(=C\c2ccc3c(c2)OCO3)C(=O)N1C1CCCCC1 2163077 SMEIBFKIOWIDLV-JWMLTMDESA-N 434.561 5.914 0 40 IKAB Cc1ccc2c(c1)[C@@H](C)CC(C)(C)N2C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2170668 WDGFANRLWRCQDM-ZDUSSCGKSA-N 429.404 6.965 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(F)c3)n2-c2ccc(C)cc2)cc1 2452419 YHTYDWJTWHFKQA-UHFFFAOYSA-N 432.524 5.421 0 40 IKAB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(F)cc1)c1ccccc12 2497236 TYFYARNDKJALHQ-UHFFFAOYSA-N 427.453 5.011 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2635203 CLKWZIUHNMFZFP-UHFFFAOYSA-N 429.316 5.554 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2-c2ccccc2)c1 2718489 DSCWPNAWELSEAT-UHFFFAOYSA-N 446.528 5.568 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3cccs3)C(=S)Nc3ccccc3C)c2c1 2722592 IYXULCBFXYZUQD-UHFFFAOYSA-N 449.645 6.297 0 40 IKAB O=C(COC(=O)c1cc(-c2cccc3ccccc23)nc2ccccc12)NCc1ccco1 3217735 UOVRVAJMTLCIRM-UHFFFAOYSA-N 436.467 5.121 0 40 IKAB CN(C(=O)COc1ccc(Cl)cc1Cl)[C@@]1(c2ccccc2Cl)CCCCC1=O 3230746 DFOXJKLDYDKMCR-OAQYLSRUSA-N 440.754 5.523 0 40 IKAB O=C(COC(=O)CSCc1cccc(Cl)c1)Nc1cccc(Oc2ccccc2)c1 3331184 QGJGBGCFSFEXLX-UHFFFAOYSA-N 441.936 5.547 0 40 IKAB C/C(=N/NC(=O)c1ccncc1)C1=CC[C@@H]2[C@H]3CC[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 4015056 HIMZXVKKQBAUQS-JRNAIJDHSA-N 435.612 5.127 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4s3)c2C)cc1 5950105 AIYNPMBEHKHNNQ-UHFFFAOYSA-N 431.586 5.961 0 40 IKAB CC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc3c2C1 6025476 DYLVBTQTDUBMIS-HNNXBMFYSA-N 427.522 5.083 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCc3cc(C(=O)Nc4c(C)cccc4C(C)C)ccc32)cc1 8613986 MQIYYYZZLSJREN-UHFFFAOYSA-N 448.588 5.431 0 40 IKAB aggregator CC(C)(C)c1ccc(-c2nnc(S[C@H]3CCOC3=O)n2-c2ccccc2Cl)cc1 8622052 IVOIQEYQYXUQDT-SFHVURJKSA-N 427.957 5.293 0 40 IKAB CC[C@H](C)c1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(C)on3)c3ccccc3n2)cc1 8686311 WLMAUYANGCNLEK-INIZCTEOSA-N 443.503 5.507 0 40 IKAB aggregator C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)n1cnc2sc(-c3ccccc3)cc2c1=O 8717821 PCJQCZSDQZNHIC-LBPRGKRZSA-N 444.343 5.632 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(F)(F)F)oc2cc1O 8738360 HNOXNYKJKWUPSA-UHFFFAOYSA-N 444.453 6.194 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@H]4CCCC[C@H]4c4sccc43)cc2)cc1 8782722 OIHIHXHRQAFSFC-PUHATCMVSA-N 440.586 5.970 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 8832339 RMYCNCHAUFLZJA-UHFFFAOYSA-N 442.515 6.000 0 40 IKAB COc1ccccc1CC(=O)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 8851371 BGTAMTITXVFTEU-UHFFFAOYSA-N 440.377 5.327 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@@H](c2ccc3ncccc3c2)N1 9087026 WLALADCLIHXRQS-XMMPIXPASA-N 434.524 5.767 0 40 IKAB Cc1nc(N)nc(-c2ccc(OCc3ccccc3F)cc2O)c1-c1ccc(Cl)cc1 9130252 VULGKHFBRDKDGH-UHFFFAOYSA-N 435.886 5.778 0 40 IKAB biogenic COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccco5)nc4c32)cc1 9192093 YUDCFTQZMXGTPD-JOCHJYFZSA-N 446.466 5.832 0 40 IKAB CC(C)c1ccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)cc1 9218494 GPYJUZVCGMEWSS-UHFFFAOYSA-N 437.594 5.731 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 9232640 BVDOYNBYYXKAGN-MDBUFAAASA-N 436.360 6.407 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1c1c(-c2cc(OC)ccc2OC)n(C)c2ccccc12 9426289 BTUQWOVZXCJFML-HHHXNRCGSA-N 440.543 5.818 0 40 IKAB Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c(C)c1 9461868 PGQVZPIIJWLUAR-UHFFFAOYSA-N 429.321 6.015 0 40 IKAB CCOc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)sc2c1 9487373 SUYWZCDELFKWRK-HXUWFJFHSA-N 444.468 5.144 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)Nc3c(C)cc(C)cc3Cl)s2)cc1 9632148 INFNPXHVZQYPLN-UHFFFAOYSA-N 434.974 5.291 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccccc1-c1ccccc1)c1cc(Cl)ccc1Cl 9805575 RLRYASMXTCVKNX-UHFFFAOYSA-N 449.359 5.065 0 40 IKAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059518 MSVWZQXQYZYXAX-PMERELPUSA-N 449.550 5.971 0 40 IKAB COc1cc(C(=O)N(Cc2ccc(C(C)C)cc2)C2CC2)ccc1OCc1c(C)noc1C 10257917 CPVJQEIQUYNEHY-UHFFFAOYSA-N 448.563 5.807 0 40 IKAB CCN(C(=O)COC(=O)c1c(C)c(-c2ccccc2)nc2ccccc12)C1CCCCC1 12311738 BBBFCFPIIMQNIZ-UHFFFAOYSA-N 430.548 5.548 0 40 IKAB C[C@@H](Sc1nc2ccc(Cl)cc2o1)c1nc(N)nc(N2CCCc3ccccc32)n1 12401966 YQDPUVFKOWSENA-GFCCVEGCSA-N 438.944 5.186 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(C3CC3)nc3sc4c(c23)CCCC4)c(C)c1 12636126 MYFZBBTYGYJAEA-UHFFFAOYSA-N 437.634 6.104 0 40 IKAB C[C@H](NC(=S)N=[P@@](c1ccccc1)(N1CCOCC1)C(C)(C)C)c1ccccc1 12648322 OZNNEBVFCDKOKT-VKGTZQKMSA-N 429.570 5.195 0 40 IKAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)COc1cccc2ccccc12 12653976 GKFMSEBQQATAJN-UHFFFAOYSA-N 435.911 5.359 0 40 IKAB Cc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(-c3ccccc3)[nH]2)C2CCCC2)o1 12715411 DSUIKWINIRPXHX-XMMPIXPASA-N 447.579 5.624 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2CSCc2ccc(C(N)=O)cc2)cc1 12987868 XQFQIQVNNPEQJV-UHFFFAOYSA-N 429.545 5.080 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 13095939 QGLGAUHJIZDHLW-UHFFFAOYSA-N 436.533 5.878 0 40 IKAB CCn1c(SCc2cccc(Br)c2)nnc1-c1cc(Cl)ccc1OC 14084831 JWXFLUJAQDWRMO-UHFFFAOYSA-N 438.778 5.682 0 40 IKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 14272957 FVDWSCATNXRJLR-SDNWHVSQSA-N 443.374 7.060 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc(OC)c1Br 15586250 GFRQWNCFNWZVCP-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB O[C@H](CNCc1cc(Br)ccc1OCc1ccc(Cl)cc1)c1ccccc1 16477397 TYFUYBMLNZAZIB-OAQYLSRUSA-N 446.772 5.505 0 40 IKAB Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2-c2ccccc2)n1 16842931 QSQPBRJVFAOQHK-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB CCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)c1 17097205 URMXHVFUZXWQFU-UHFFFAOYSA-N 430.744 5.122 0 40 IKAB Cc1cc2nc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3C)oc2cc1C 17098440 RTMQNYKGRJBDRT-UHFFFAOYSA-N 433.508 5.686 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(-c2ccc(Cl)cc2Cl)o1 17099190 VSHVVAXLOAZLJR-UHFFFAOYSA-N 434.628 7.178 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccco3)c1)O[C@@H]1CCCC[C@H]21 17724523 UOWXKHBODKGGSD-CEYNDMKZSA-N 433.504 5.695 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)C[C@H](C)n4cccn4)C3)c(-c3ccncc3)c2c1 19220175 XKPNINLRIRRADH-FPOVZHCZSA-N 427.552 5.092 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3[nH]c4c(C)cccc4c3-c3ccncc3)C2)o1 19236545 WQYVGXDIYNFJOO-IBGZPJMESA-N 429.520 5.298 0 40 IKAB CC(C)n1c(CN2CCO[C@H](c3nccnc3-c3cccc(Cl)c3)C2)nc2ccccc21 19693405 YSWYDUVBVZJHGV-QFIPXVFZSA-N 447.970 5.301 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnc2scc(-c3ccccc3)n2c1=O 20767775 BBMFGSUOAMPQMK-UHFFFAOYSA-N 449.841 5.348 0 40 IKAB O=C(Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1)c1cccs1 21142458 CMDWPZDEMDKKFF-UHFFFAOYSA-N 447.368 6.774 0 40 IKAB S=c1[nH]nc(-c2ccncc2)n1NCc1c(OCc2ccccc2)ccc2ccccc12 22110670 PPMCLEDUGNGBRQ-UHFFFAOYSA-N 439.544 5.479 0 40 IKAB CCOc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1cccs1 22111313 NNDXMYHWBVVQPP-UHFFFAOYSA-N 438.578 5.391 0 40 IKAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)/C=C/c1ccc(-c2ccccc2Cl)s1 24841621 YOZAETNXMMRZMA-FMIVXFBMSA-N 431.966 5.432 0 40 IKAB CC1=NN(c2ccc(C)cc2)C(=O)[C@]12Cc1ccccc1N1CC[C@@H](Cc3ccccc3)C[C@@H]12 25184678 ZRJAPVMBHCFTAR-PDVBFRJSSA-N 449.598 5.788 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@]1(C)[C@@H]2CC[C@H]1[C@@H](C)CCCC(C)C 25549058 VIXDHGDNWWEKMR-NWAHNDBCSA-N 430.632 8.203 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3cccs3)o2)cs1 26254952 LRVXSTFAXWJIFK-UHFFFAOYSA-N 444.563 5.240 0 40 IKAB Cc1ccc(-n2c(SCc3noc(-c4cccs4)n3)nc3ccccc3c2=O)c(C)c1 30023260 PKRDCHCFHIPUEJ-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)[C@@H]1CCCCN1C(=O)c1cccs1 30857265 LRBOPDAWSINVEH-LBPRGKRZSA-N 437.999 5.220 0 40 IKAB CCn1c(COc2ccc(C)cc2OC)nnc1SCc1ccc(Cl)cc1Cl 34720809 IXZJYUNPLRWONX-UHFFFAOYSA-N 438.380 5.793 0 40 IKAB O=C(CSc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(F)c(Cl)c1 45922576 QPSOHHBFOYCWPO-UHFFFAOYSA-N 441.709 5.627 0 40 IKAB Cc1nn2c(=O)cc(CN(Cc3c(F)cccc3Cl)[C@@H]3CCC[C@H](C)[C@@H]3C)nc2s1 58248481 NBVDQWMITURYPV-PJSUUKDQSA-N 448.995 5.079 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1 59109406 MVDAQMXJXPMBRC-UHFFFAOYSA-N 439.231 5.096 0 40 IKAB CC(=O)Nc1cccc(Nc2nnc(S[C@@H](C)c3nc(-c4ccccc4)no3)s2)c1 59851453 WLKPZQVLLCSVCI-LBPRGKRZSA-N 438.538 5.143 0 40 IKAB Cc1onc(-c2ccccc2)c1-c1nnc(CSCc2c(Cl)cccc2Cl)o1 60825135 QZGMLVYYKNMLHU-UHFFFAOYSA-N 432.332 6.440 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCc1cccnc1 61240339 XRIKEBWNXRVXOE-UHFFFAOYSA-N 439.968 5.176 0 40 IKAB CC(C)n1c([C@H]2CCCN2C(=O)CCCOc2ccccc2Cl)nc2ccccc21 72306559 LAAGKNJPFYNSSI-OAQYLSRUSA-N 425.960 5.793 0 40 IKAB COc1ccccc1CNC[C@@H]1C=C(C)[C@H](Cc2nc3cccc(C)c3[nH]2)C[C@H]1C(C)C 72320974 QZAHHAWLSCJGOO-HJOGWXRNSA-N 431.624 6.067 0 40 IKAB biogenic,in-vitro CCCn1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)c2ccccc21 106740066 JNQRCWKWTWADFD-JAIQZWGSSA-N 428.916 6.080 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc(Br)cc2)sc(C)c1C 110217787 RICKWOQAEFIDNC-UHFFFAOYSA-N 428.373 5.035 0 40 IKAB O=C(COc1ccc(Br)cc1)NCCSCc1ccc(Cl)c(Cl)c1 218814075 RAKKQEKEUTXWCB-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB Cc1ccccc1CSCCNC(=O)COc1ccc(C(C)C)cc1Br 218871553 KVRVWDOUTSHKSR-UHFFFAOYSA-N 436.415 5.309 0 40 IKAB CCOc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218876752 ZOWKTYHBVHXNNT-UHFFFAOYSA-N 434.374 5.099 0 40 IKAB CCCOc1ccccc1CCCNC(=O)COc1ccc(Br)cc1Cl 218946614 DRWKOLNWTGOREE-UHFFFAOYSA-N 440.765 5.019 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C)o2)c(Br)c1 222760816 RRISJSKLUYUJHI-RBUKOAKNSA-N 428.355 5.015 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl 222941205 NOGJINAOFWGBQI-FGZHOGPDSA-N 425.985 5.932 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222943741 VGVOGOUBJXVLLC-INIZCTEOSA-N 435.395 5.176 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2)s1)c1ccccc1OCc1ccccc1 222987116 NQRFXPYQBQRFCY-UHFFFAOYSA-N 433.558 5.662 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223185935 RMGVGRQXIAUUNM-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB Fc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223395353 WULJIOPOBYMBJS-ZEQRLZLVSA-N 428.536 5.184 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1sc2c(c1C(=O)OC)CCCC2 223526521 IRWUVXJHPDMHBL-IBGZPJMESA-N 427.566 5.088 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 224051665 FNFQVHJXGPJOQT-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224209483 MBVSFJVANOJKEA-UHFFFAOYSA-N 436.577 5.252 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C)cc1 224677623 CHAIZDWMHNOOOW-LOSJGSFVSA-N 440.572 5.698 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1COCC(C)C 224738658 LLOZBDMKORVDEX-UHFFFAOYSA-N 433.548 6.089 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1c(F)cccc1Cl 225034560 HIUVHOWGDCNATF-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225055227 ULTOCDGUYGKZLY-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)cc1C(=O)OC 225753445 IAMULFDTMZYXJP-KRWDZBQOSA-N 425.525 5.110 0 40 IKAB Cc1cccc2nc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4cccc(Cl)c4)o3)cn12 257219561 DHFZDSDXKQTNEP-OAQYLSRUSA-N 434.927 5.242 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257224304 FBFJHZOXINTBGD-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)n[nH]1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257284771 PEFKLRXIQGYONG-QHCPKHFHSA-N 430.483 5.162 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1cc(Cl)ccc1OCc1ccccc1 408588243 VFHYDTZSGCUHSW-UHFFFAOYSA-N 429.903 6.964 0 40 IKAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408648962 YVYCBNYHRFUAEC-SFHVURJKSA-N 434.923 5.741 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)cc2)cc1C 408649252 ZTQADVNVYUTKHV-NRFANRHFSA-N 428.532 5.704 0 40 IKAB COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1C 408980073 UKQSPDGXQIEPOH-UHFFFAOYSA-N 446.550 7.307 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccccc1 409139879 BZILVLXIGNJAFK-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB COc1cc(Br)cc(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)c1OC 409207693 XQHBFIRAUILMNE-CPNJWEJPSA-N 436.305 5.685 0 40 IKAB O=C(CCc1ccccc1Br)NC[C@@H](O)c1ccc(-c2cccs2)s1 618256897 YOZRYUDUHZBDSD-OAHLLOKOSA-N 436.396 5.022 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NCCc3ccccc3)CCOCC2)cc1 2037834352 AMEZLZRHBXEIDQ-UHFFFAOYSA-N 447.550 5.200 0 40 IKAB CCN(CC)S(=O)(=O)c1cccc(C(=O)N2c3ccccc3Sc3ccccc32)c1 827244 CFUZEILLCPYUGM-UHFFFAOYSA-N 438.574 5.160 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccc(C)c(Cl)c2)c1C 868910 HZZZQXZHCNCJIB-UHFFFAOYSA-N 448.972 5.576 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1cc2ccccc2o1 1465683 PKOFEOJEZWFNQW-UHFFFAOYSA-N 425.893 6.244 0 40 IKAB CCN(CC)CCC[C@H](C)N(Cc1ccccc1)C[C@H](O)c1ccc(Br)cc1 1700112 WICROHNCQHELIX-RDPSFJRHSA-N 447.461 5.495 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)CCCc2ccccc2)c1 2073555 LNEFLGCVUHIMOQ-UHFFFAOYSA-N 436.939 5.952 0 40 IKAB FC(F)(F)Oc1ccc(-n2c(-c3ccc(Cl)cc3)nc3nc4ccccc4nc32)cc1 2211150 TWXNREYKLDTUSB-UHFFFAOYSA-N 440.812 6.188 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccc(F)cc1 2256810 KRSKMWXPJDSVOD-NHCUHLMSSA-N 448.548 5.761 0 40 IKAB COc1ccc2oc(=O)c(-c3nc(-c4ccc(Oc5ccccc5)cc4)cs3)cc2c1 2262131 IXFDAURREMJDAT-UHFFFAOYSA-N 427.481 6.384 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccs3)o2)c(C)n1CCc1ccc(F)cc1 2621504 PJTXZRBTPFMZRR-UHFFFAOYSA-N 441.553 5.573 0 40 IKAB Cc1ccc(-c2[nH]nc3c2[C@H](c2ccc(Cl)cc2)N(c2ccc(C(=O)O)cc2)C3=O)cc1 2746300 XINRXODWZGGTGE-QHCPKHFHSA-N 443.890 5.487 0 40 IKAB CCOP(=O)(OCC)[C@@H](NC(=O)Nc1ccc(Br)cc1)c1ccccc1 3197499 SCFHXYHZMJRPHD-QGZVFWFLSA-N 441.262 5.536 0 40 IKAB Cc1nc2ccc(NC(=O)c3oc4ccccc4c3CSCc3ccccc3)cc2s1 3297625 FYSKOLKJKKZNHJ-UHFFFAOYSA-N 444.581 7.037 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)c1ccccc1)c1cccc2ccccc12 3312011 KWQDYPYTRANPCT-HSZRJFAPSA-N 449.428 6.395 0 40 IKAB O=C(OCc1ccc(Cl)cc1Cl)c1cc(-c2ccccc2Cl)nc2ccccc12 3317119 AGAOTBLTIOMNFB-UHFFFAOYSA-N 442.729 7.219 0 40 IKAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)c2ccc3c(c2)-c2ccccc2C3)cc1 3345743 VIVVAVWIZGDLQB-UHFFFAOYSA-N 440.539 5.944 0 40 IKAB Fc1ccc(COc2ccccc2CNc2ccc(N3CCOCC3)c(Cl)c2)cc1 4113009 NCLRGNDQDRQVRU-UHFFFAOYSA-N 426.919 5.507 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@H]3CC=C(C(=O)O)[C@@](C)(CCC(=O)O)[C@@H]3CC[C@@]21C 5188434 QJUQBYMZJRWYDP-QWDWHTTJSA-N 432.645 6.793 0 40 IKAB CCCOc1ccc(CNC(=O)c2sc3nc4cc(OCC)ccc4cc3c2N)cc1 6078085 NNIRHNWPYLUDOH-UHFFFAOYSA-N 435.549 5.149 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC3CCCCC3)cc12 6321933 RKENRMOLSXOOOY-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB O=C1CSC2=NC(c3ccccc3)=C[C@@H](c3cn(-c4ccccc4)nc3-c3ccccc3)N12 8382960 JAJFUCMHCJEDDE-DEOSSOPVSA-N 448.551 5.567 0 40 IKAB CCC[C@H](NC(=O)[C@@]1(C)CC1(Br)Br)C12CC3CC(CC(C3)C1)C2 8454311 DFOQZEFZDFHNFZ-WTLBSLDQSA-N 447.255 5.384 0 40 IKAB Cc1ccc(-c2nnc(-c3ccccc3)c(Sc3ccc(Br)cc3)n2)cc1 8873329 CSWHVRAKOMUOIA-UHFFFAOYSA-N 434.362 6.428 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2[C@H]2CCCC[C@H]2C)c(C)n1C1CC1 8887729 IGQQOBMBDOMQHO-ZHRRBRCNSA-N 449.624 5.820 0 40 IKAB COc1ccccc1N(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1Cl 9075962 WCLXQFWCNLIOOQ-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccs2)cc1 9087160 NZRVWGOAZMGHHN-IBGZPJMESA-N 441.350 5.511 0 40 IKAB COc1cccc(NC(=O)c2ccccc2NC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1 9128516 IWVGXHCCUNLJFU-UHFFFAOYSA-N 440.503 5.002 0 40 IKAB CC(C)c1ccc([C@@H]2C(=O)N(c3ccccc3F)CC(=O)N2c2ccc(Cl)cc2)cc1 9130011 CYFIBHIFEMUXHU-XMMPIXPASA-N 436.914 5.724 0 40 IKAB c1ccc(-c2nnc(CSc3nnc(C(c4ccccc4)c4ccccc4)o3)o2)cc1 9200161 QVTJRTRBMPUBHB-UHFFFAOYSA-N 426.501 5.592 0 40 IKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2ccccc2)C1=O 9233080 ZQISIRXEYOISEI-HMAPJEAMSA-N 446.528 5.302 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2cccnc2)N2N=CNC2=N3)cc1 9309790 CLGLAHGFJQRIDE-YADHBBJMSA-N 448.313 5.193 0 40 IKAB O=C(Nc1cccc(F)c1)c1oc2ccccc2c1NC(=O)c1cc2ccccc2oc1=O 9413973 QZSHEIDEMNKKLO-UHFFFAOYSA-N 442.402 5.183 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccc(CN3CCCC3)cc2)c2ccccc2)c1 9516710 OYAVSBZRBKQKCH-MHZLTWQESA-N 427.592 5.369 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccc(Cl)cc2)nn1 9578262 KULJYXYEHBDTHF-UHFFFAOYSA-N 427.957 6.660 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cc(F)ccc1F 9583390 FCKQONYUBMHWNA-UHFFFAOYSA-N 428.489 5.005 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c(Cl)c1 9646922 FHEPPNOQTRGRQR-UHFFFAOYSA-N 441.380 5.037 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccc(F)cc4c32)cc1C 9676103 BIQRGKNFUCZWQB-UHFFFAOYSA-N 446.323 6.759 0 40 IKAB O=C(NC[C@@H](c1cccs1)N1CCc2ccccc21)c1ccc(Br)cc1 9708238 UEMFWPKSSPHSSJ-IBGZPJMESA-N 427.367 5.044 0 40 IKAB CCn1c(SC[C@H](O)c2ccccc2)nc2sc(C)c(-c3ccc(F)cc3)c2c1=O 10374457 IEYZTUZYGISFCG-SFHVURJKSA-N 440.565 5.418 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)c(F)c2)c1 12195591 IYMXEFRARXEVOL-JTHBVZDNSA-N 426.850 5.869 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 12249689 GYCBKATVQVRQMD-UHFFFAOYSA-N 437.908 5.238 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c(Cl)c3)c3ccccc3C2=O)c(C)c1 12651901 FZCXLEYCJGXKIJ-UYRXBGFRSA-N 437.326 6.250 0 40 IKAB CCCCCN1CC(=O)N2C[C@H](c3ccc(Cl)cc3)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12872830 JCBNIGDJJIATDY-IBVKSMDESA-N 449.982 5.043 0 40 IKAB biogenic O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1ccc(N2CCCCC2)cc1 12878608 IZUHBKOAEURWAP-UHFFFAOYSA-N 449.605 5.179 0 40 IKAB FC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3sccc3-n3cccc3)nn12 12961508 VJLYBIKWKSOEIX-UHFFFAOYSA-N 444.869 6.588 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(-c2cccc(Cl)c2)o1 13121314 ZXUZWQPNUSLRMY-LBPRGKRZSA-N 444.969 5.311 0 40 IKAB COc1ccccc1C(=O)N1c2ccc(Cl)cc2-c2c(ssc2=S)C1(C)C 13756442 NYPXFCLOQZMQNG-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\N=C(c4ccccc4Br)OC3=O)cc2)c1 13928366 XLQWQYZGTURIDV-HMAPJEAMSA-N 448.316 5.681 0 40 IKAB O=c1c2c3c(sc2[nH]c(=S)n1-c1ccc(Cl)cc1)CN(Cc1ccccc1)CC3 14162727 KMDSAGOIDDNJAH-UHFFFAOYSA-N 439.993 5.321 0 40 IKAB COc1cc(Br)cc(C(c2c[nH]c3ccccc23)c2c[nH]c3ccccc23)c1O 15015963 MGEPHZLMWMQVQB-UHFFFAOYSA-N 447.332 6.306 0 40 IKAB C=C(Cl)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OCC)cc1)CCCC3 15517349 VKDWTTCWZNNJIM-UHFFFAOYSA-N 432.998 5.569 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 16689130 PYSYMHPTIWFJMJ-JOCHJYFZSA-N 446.374 5.794 0 40 IKAB Cc1cc(Nc2ccccc2)nc(N2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)n1 17012383 CRYNRWKUAZHCAP-UHFFFAOYSA-N 449.558 5.158 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 17208337 UAFMOKPICXGMBA-UHFFFAOYSA-N 446.866 5.106 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N(C[C@H]1CCCO1)c1nc2ccccc2s1 19358170 NMDJACJOLQJRPP-MRXNPFEDSA-N 441.603 5.236 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1ccc(-c2ccccc2)cc1 19633037 KOLQTBBRXSGUTQ-UHFFFAOYSA-N 440.955 7.536 0 40 IKAB CC(C)(C)c1ccc(CCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20048056 HMOLLKABSJQSMX-UHFFFAOYSA-N 441.615 7.084 0 40 IKAB CCOc1ccc(CCC(=O)NCCSCc2c(F)cccc2Cl)cc1OCC 20450764 JYTBOHLSJPKNMT-UHFFFAOYSA-N 439.980 5.259 0 40 IKAB CC[C@@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20573310 ICTYOAUBCHBCQI-QGZVFWFLSA-N 439.606 5.810 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 20610400 PSRQEERMFYJZJW-UHFFFAOYSA-N 432.842 5.725 0 40 IKAB CCN1CCN(c2ccc(NC(=O)[C@@H](C)c3ccc4cc(OC)ccc4c3)c(C)c2)CC1 22067975 GHHCZWFTQZUXDX-FQEVSTJZSA-N 431.580 5.041 0 40 IKAB CCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2 27027896 ICRFARBOLLSSDE-UHFFFAOYSA-N 432.951 6.666 0 40 IKAB Cc1ccc(C)c(OCCn2c([C@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 27792674 VMJALWQWFSYSIR-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB Cc1cccc(C(=O)Nc2cc3c(cc2Sc2ccc(Cl)cc2)n(C)c(=O)n3C)c1 28049059 JVIROHOXQOMDNR-UHFFFAOYSA-N 437.952 5.242 0 40 IKAB Cc1ccc(C(C)C)c(OC[C@H](O)Cn2cnc(-c3ccccc3)c2-c2ccccc2)c1 28296620 WOJZNKVQDJNJIF-XMMPIXPASA-N 426.560 6.089 0 40 IKAB O=C(Cn1c(COc2ccccc2)nc2ccccc21)N1CCCSc2ccccc21 28643745 WICYDXHENRRSIK-UHFFFAOYSA-N 429.545 5.144 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COC(=O)c2ccccc2Nc2ccccc2)cc1 32124637 SRNYUXMQFKWPPR-UHFFFAOYSA-N 446.503 5.183 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2NC(=O)[C@@H]2COc3ccccc3O2)cc1 32923089 MUQQEOMHYMISAS-QHCPKHFHSA-N 430.504 5.015 0 40 IKAB COc1ccc(NC(=O)CCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1Cl 33326067 ZBLUOJATVFEZGN-KRWDZBQOSA-N 443.956 5.041 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(Br)cc3)c12 36615789 JHXNNKKHCRBGJV-UHFFFAOYSA-N 447.336 5.621 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(N(Cc2ccccc2)S(C)(=O)=O)cc1 38753657 FOBMACKHLOENRW-UHFFFAOYSA-N 440.590 5.017 0 40 IKAB COc1cc(C(=O)N(C)CCCCCc2cc(-c3ccccc3)n[nH]2)ccc1OC(C)C 40146853 FYLPLCMURYNNKM-UHFFFAOYSA-N 435.568 5.358 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(Br)cc2)n1-c1ccc(C)cc1 44085570 KIANNUDRXMATBW-UHFFFAOYSA-N 431.355 5.265 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 68561888 DANVKGKAPIZZNV-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB COc1ccc(NC(=O)NC2(c3nc(-c4ccsc4)no3)CCCCC2)cc1Cl 77197577 BPWMIYFJEPNZKC-UHFFFAOYSA-N 432.933 5.441 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3cccc4ccccc34)[C@@H]2C(=O)N1c1ccc(F)cc1 102707024 XDVFYFCTFGIXLK-SDHOMARFSA-N 438.458 5.030 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN([C@H](C)CCCC(C)C)C3=N)n2)cc1OC 102725735 VQXANEXPLMSCRK-OAHLLOKOSA-N 429.586 5.604 0 40 IKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1ccc(F)c(F)c1F 206892179 COYLTFUKMMRLGL-UHFFFAOYSA-N 426.423 5.618 0 40 IKAB CCc1ccc(O[C@@H](CC)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1 222882433 VFRFIYGTSZRYOQ-CLOONOSVSA-N 430.548 5.536 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222983653 YHCRAIZLGFWRHQ-SFTDATJTSA-N 446.403 6.421 0 40 IKAB CC(C)CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223134342 VPVDLASYHLPJQC-QHCPKHFHSA-N 429.004 5.098 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 223267177 KYWKQZLSNPAAKA-HXUWFJFHSA-N 440.603 5.389 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223817321 FAZHSDYRFBQRGR-SANMLTNESA-N 448.582 5.635 0 40 IKAB Cc1cc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)ncc1Br 223914600 CLXWYZKATMVUJB-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c1 224228767 NBLUCKMGQNOCRH-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)c2ccccc2O1 224389235 QSSYGAMKRJMJQA-NFBKMPQASA-N 441.015 5.751 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cccc(Cl)c1 224495531 TVSBDKOWULCFSG-MRXNPFEDSA-N 427.903 5.948 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1cccc2ccccc12 224633614 HWUZLPLLYGUTNI-UHFFFAOYSA-N 439.511 6.272 0 40 IKAB Cn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224644028 PJPIUCMIUZWAMK-DNQXCXABSA-N 426.545 5.390 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225194841 VDJTXONZFJVPFR-NRFANRHFSA-N 433.017 5.074 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225375763 AFGXSWMVAGUVNM-UHFFFAOYSA-N 432.734 6.449 0 40 IKAB COc1ccc([C@H](C)NC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225465877 GUTMIHMJRWJYIX-SFHVURJKSA-N 446.616 6.271 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2ccc(F)cc2)n1Cc1ccccc1 225543107 KEFWZWZYHNFRHN-UHFFFAOYSA-N 441.531 5.871 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)c1 225555987 LNXTVKQZEZQRBR-IBGZPJMESA-N 447.044 5.132 0 40 IKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)cc1Cl 225560510 VVUATPOJUFKVOS-KRWDZBQOSA-N 431.960 5.603 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccc(Cl)c(Cl)c1 225803901 MWTPGPNVTCXLEV-UHFFFAOYSA-N 430.213 5.634 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225963552 HLRMOTNOLGAHJV-QLFBSQMISA-N 437.535 5.025 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC(c3cccc(Nc4ncccc4C)n3)CC2)cc1 257323681 WLKSSTJYHDBEGC-UHFFFAOYSA-N 444.579 5.221 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(Cl)cc3)n(CCc3ccccc3)n2)c(OCC(=O)O)c1 257342098 ZNCHMNHGTSDDEW-UHFFFAOYSA-N 446.934 5.885 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)c1 408544768 JKWIACVTRMLNOO-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 408548778 UZMVZKLCQIVOND-OAQYLSRUSA-N 446.450 5.325 0 40 IKAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1c(Cl)cccc1Cl 408572745 IAJWZSZNZABNSY-CQSZACIVSA-N 426.365 5.025 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)Sc1nc2ccccc2o1 408634555 RLZRFJIKRACMAA-ZDLGFXPLSA-N 441.848 5.657 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408674959 FKPVCQMFDNTSDA-UHFFFAOYSA-N 426.369 5.586 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680447 ZANAVCGYPIGXFD-UHFFFAOYSA-N 427.262 5.874 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(CC)cc3)nc2-c2ccc(F)cc2)cc1 408698618 ORPLVJYEUZFPIH-UHFFFAOYSA-N 430.483 5.287 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)c(=O)c2cc(C)ccc21 408713415 XQEVZJYIEBJMNK-UHFFFAOYSA-N 432.907 6.028 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccc(OCc4cccc(F)c4)cc3)S2)cc1 408786894 PAWRYUOOXISJFM-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2cccc3c(Br)ccc(c23)C1=O 408977112 UFKXLEWZQQOSOG-UHFFFAOYSA-N 446.304 5.205 0 40 IKAB COc1cc(/C=C2\C(=O)N(CC(C)C)c3ccccc32)ccc1OCc1ccc(Cl)cc1 409112349 CFDRNKZKLFBLKD-UCQKPKSFSA-N 447.962 6.471 0 40 IKAB CC(C)c1ccccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 409117111 WNJGCNSRTIWFEF-UHFFFAOYSA-N 442.968 5.297 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(Cl)c1Cl 409172574 CZZXAPJGMUEKHD-UHFFFAOYSA-N 449.146 6.081 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)cc1 409236442 GHZNEXVHLTZZPU-ODLFYWEKSA-N 427.287 5.655 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1cc2cc(Cl)ccc2o1 409348107 REGBGMJOUNWQHJ-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB Cn1c(-c2ccc(Cl)cc2)csc1=Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 575628201 ATPBCIJSLAMBMU-UHFFFAOYSA-N 436.808 6.677 0 40 IKAB CCCc1nc(COc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265500 ROIXCSFTGAIGKO-UHFFFAOYSA-N 426.310 5.741 0 40 IKAB COc1ccc2o/c(=N\c3ccc(-c4nc5ccc(C)cc5s4)cc3)c(C(N)=O)cc2c1 652151 VDMDWDCJQOEQAQ-PNHLSOANSA-N 441.512 5.358 0 40 IKAB Fc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 843539 QIPZVDQHCSKCMN-DHIUTWEWSA-N 430.870 5.283 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2ccc(C)cc2C)c1C 868899 GITLBTOFXJRCQB-UHFFFAOYSA-N 428.554 5.231 0 40 IKAB COc1cccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)c1 1164000 FHJYIROIXKYIMS-UHFFFAOYSA-N 442.500 5.967 0 40 IKAB CCOc1ccccc1NC(=O)c1sc2nc(-c3ccc(OC)c(OC)c3)ccc2c1N 1302729 BYLKFNIWYYGFBV-UHFFFAOYSA-N 449.532 5.214 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1371563 RYBWXNWSSBUQOV-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)NCc3ccccc3)cc12 1371667 SNJYFRWMOOGDHQ-UHFFFAOYSA-N 439.559 5.099 0 40 IKAB COc1cc(-n2nc(C(=O)Nc3cccc(C(F)(F)F)c3)nc2C)c(Cl)cc1Cl 1397940 FGXOZJVHERCMIC-UHFFFAOYSA-N 445.228 5.162 0 40 IKAB COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)Sc2ccc(Cl)cc2)cc1OC 1798848 SMEVVCCXYQHTEQ-QHCPKHFHSA-N 447.383 7.117 0 40 IKAB CC(=O)c1c(C)oc2ccc(N(C(=O)c3ccccc3)S(=O)(=O)c3ccc(C)cc3)cc12 2061254 SUCBVQHGYIMUHJ-UHFFFAOYSA-N 447.512 5.288 0 40 IKAB CC(C)CCNC(=O)c1ccc(Cl)c(NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1 2069806 SNULEYLCSPXQKO-SFHVURJKSA-N 429.004 6.057 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C)C(=O)NCCC3=CCCCC3)n2C(C)C)cc1 2622714 XXHOHKUONROYQM-KRWDZBQOSA-N 428.602 5.022 0 40 IKAB O=S(=O)(Nc1ccc2oc3ccccc3c2c1)c1cc(C(F)(F)F)ccc1Cl 2649463 UVWBWCHXCKHFHG-UHFFFAOYSA-N 425.815 6.059 0 40 IKAB CCOC(=O)Cc1csc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1 3297394 SNDPGIJWXLLNME-UHFFFAOYSA-N 442.587 5.170 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccc(Oc3ccccc3)cc2)c(Br)c1 3297830 AHLMBCQWPPBVNX-UHFFFAOYSA-N 440.293 5.345 0 40 IKAB CCOc1ncccc1C(=O)Nc1nc(-c2cc(C)n(Cc3ccccc3)c2C)cs1 3414251 RBHRLVCCFWNQPK-UHFFFAOYSA-N 432.549 5.323 0 40 IKAB CCCCc1ccc2c(c1)[C@H](OC(C)=O)C(C)(C)[C@@H](c1ccc(Br)cc1)N2 3672752 NMIDGHGSVHONLN-YADHBBJMSA-N 430.386 6.589 0 40 IKAB C[C@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 4413506 IRKARXPTWCTTMK-GSTLAZBSSA-N 425.572 6.006 0 40 IKAB Cc1cc(Cl)ccc1NC1=NC(=O)[C@H](CC(=O)Nc2ccc(Cl)cc2Cl)S1 5892183 VKYDQDGPOZKLFN-HNNXBMFYSA-N 442.755 5.394 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 8317422 ZONZNFFZBFYGDZ-UHFFFAOYSA-N 427.548 5.605 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1C 8383504 SWKDOPLOUUHYAX-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB COc1ccccc1CNc1c(F)c(F)c2nc3c(cc2c1F)c(-c1ccccc1)nn3C 8453515 GLSPXUZPWIWZAG-UHFFFAOYSA-N 448.448 5.827 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8828247 NPEQYMPFQIXODH-JOCHJYFZSA-N 439.559 5.588 0 40 IKAB Cc1cc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)C[C@H]2CCCO2)ccc1Cl 8915464 FJHCZTNMJDCXST-GOSISDBHSA-N 442.770 5.542 0 40 IKAB Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)cc1C 8919591 UNEYNCIQUNSPRK-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cc(Br)ccc1Cl 8989993 XELVTYPPIDCDKK-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB COc1ccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9065464 UBZJEEBWQDOGGA-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1 9591627 BBCWGXYSXJZYPI-QGZVFWFLSA-N 447.918 6.340 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(SCC(=O)Nc3c(C)cc(C)cc3C)[nH]c(=O)c12 9645774 AFZDUSUJKDLNGW-LBPRGKRZSA-N 443.638 5.538 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN(Cc1ccc(F)cc1)C1CCCCC1 9672094 AXJSBLFALLTPFH-UHFFFAOYSA-N 434.559 5.402 0 40 IKAB Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4ccccc4c32)cc1C 9676172 CYDJSWHDPNVEJG-UHFFFAOYSA-N 428.333 6.620 0 40 IKAB COC(=O)C1=C(C)N(c2cccc(C)c2)C(C)=C(C(=O)OC)C1c1ccc(Cl)cc1 9730800 OCNNUOHWGIDDOT-UHFFFAOYSA-N 425.912 5.146 0 40 IKAB COc1ccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2cc(C)ccc2O3)cc1 9859501 TUPMWLPSWAYISF-UHFFFAOYSA-N 426.541 6.449 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@@H](c1ccccc1)C1CC1 9875393 AOQDLXYLBQUIPU-IBGZPJMESA-N 439.865 5.090 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3ccncc3)C(=O)c3ccc(Cl)s3)nc12 10254340 NIAFVSSKTUPHPY-UHFFFAOYSA-N 445.953 5.270 0 40 IKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1 12111331 NVKSYEGVUUKMRT-UHFFFAOYSA-N 425.872 5.794 0 40 IKAB O=C(c1nc2ccccc2s1)C1CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1 12132176 ABIPTQPDDZPJPI-UHFFFAOYSA-N 444.556 5.610 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN23)cc1Br 12192872 SBGXBLYDTBIBGK-OFNKIYASSA-N 435.321 5.700 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)N1CC[C@H]2CCCC[C@H]2C1 12598913 UOQOAZDREOLCDO-YADHBBJMSA-N 429.564 5.259 0 40 IKAB COc1ccc(CC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1OC 12775962 PEHDVHUDIPCQJD-UHFFFAOYSA-N 437.348 5.239 0 40 IKAB c1cncc(-c2nc(NC[C@@H](c3cccs3)N3CCCC3)c3c4c(sc3n2)CCC4)c1 13030159 ATOZNYIIEKJYJU-SFHVURJKSA-N 447.633 5.553 0 40 IKAB CCc1ccccc1NC(=O)c1cc(Br)c(OCc2ccccc2)c(OC)c1 13109429 FSKAHPDMDKPKRN-UHFFFAOYSA-N 440.337 5.851 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccc(-c2ccccc2Cl)o1 13115681 SAYOHNMGOLKEES-UHFFFAOYSA-N 432.911 5.837 0 40 IKAB CCN(C(=O)COc1ccc(Cl)cc1)c1nnc(-c2ccc(C(C)(C)C)cc2)s1 13510038 JVCPNSQHQSTWDL-UHFFFAOYSA-N 429.973 5.588 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)C1CCCC1)CC2 13695099 MOKJGDKNCVTFIV-UHFFFAOYSA-N 433.335 5.090 0 40 IKAB O=C1C[C@@H](c2cccc(Oc3ccccc3)c2)c2cc(Br)c3ccccc3c2N1 13940119 SAKXHONWTLSIGD-NRFANRHFSA-N 444.328 6.869 0 40 IKAB CC(C)(C)[C@@H]1C/C(=C\c2cccc(C(F)(F)F)c2)c2nc3ccccc3c(C(=O)O)c2C1 15979509 GSYVXLXHPINWNI-QIPHDZALSA-N 439.477 7.101 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16736072 BACXUSJBXUQDJB-QHCPKHFHSA-N 426.472 5.117 0 40 IKAB C[C@H](Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1)c1ccccc1 16756976 INFCSEKEXVPJOT-HNNXBMFYSA-N 438.940 5.257 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(CSc3ccccc3)n(-c3ccccc3)c2=S)cc1 16769469 HYXWDCKDHUWQGO-UHFFFAOYSA-N 446.601 5.643 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(-c3nc4cc([C@@H](C)CC)ccc4o3)cc2)cc1 17095965 MYVOZSDRZVKLCR-SFHVURJKSA-N 428.532 6.588 0 40 IKAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccncc2)CCCN(C(=O)CC2CCCC2)C1 19448799 ITYNVLLXBAWKDD-MUUNZHRXSA-N 447.623 5.005 0 40 IKAB CCCCCOc1ccc([C@](O)(CC(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19851224 FVWAVGXBYNLLFE-WUFINQPMSA-N 439.640 5.605 0 40 IKAB Cc1cc(-c2ccc(OC(C)C)cc2)n2nc(COc3ccccc3)c(-c3ccccc3)c2n1 20069304 RQTPWYWJONKPCJ-UHFFFAOYSA-N 449.554 6.738 0 40 IKAB c1ccc(C(c2ccccc2)N2CCN(CCCC3(c4ccccc4)OCCO3)CC2)cc1 22058279 LRMJAFKKJLRDLE-UHFFFAOYSA-N 442.603 5.074 0 40 IKAB investigational Cc1cc(C)cc(-c2nnc(SCc3nnc(-c4c(-c5ccccc5)noc4C)o3)o2)c1 22237883 VLZNPDDTPMHJAF-UHFFFAOYSA-N 445.504 5.659 0 40 IKAB CSc1cccc(NC(=O)Cn2cnc3c(-c4ccc(Cl)cc4)csc3c2=O)c1 23126794 BYNDXBFNSXITBW-UHFFFAOYSA-N 441.965 5.139 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1ccccc1SC[C@@H]1CCCO1 30013282 AZLIDYZXWDAKEH-IBGZPJMESA-N 447.604 5.749 0 40 IKAB CCCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 31806746 CKUMXVNYXSLOMW-UHFFFAOYSA-N 428.576 5.413 0 40 IKAB Cc1cc(C(=O)Nc2ccc3nc(N4CCCC4)sc3c2)c(C)n1Cc1ccccn1 32921251 YRPJEZIGXSATRI-UHFFFAOYSA-N 431.565 5.010 0 40 IKAB Cc1ccc(-c2noc(CCC(=O)NCc3ccc(COCc4ccccc4)cc3)n2)cc1 32925080 YJLWAUOQJPDDMZ-UHFFFAOYSA-N 441.531 5.011 0 40 IKAB CC(C)c1ccc(Nc2c(-c3ccc(OC(F)(F)C(F)F)cc3)nc3ccccn23)cc1 35606527 QPAWOOLOKIKAJL-UHFFFAOYSA-N 443.444 7.105 0 40 IKAB CCCC[C@@H](CC)Cn1c2cc(Br)ccc2c2ccc(Br)cc21 38845282 OLOMDFPWMJQODN-CQSZACIVSA-N 437.219 7.536 0 40 IKAB in-vitro COc1ccc(Br)cc1/C=C/C(=O)N(C)[C@H](c1ccccc1)c1ccccn1 40134787 HKCWYMDSWOLBSA-RBNVVWFDSA-N 437.337 5.114 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1Cl 45890997 QGJVKPDUXCTESY-UHFFFAOYSA-N 446.570 5.570 0 40 IKAB CC(=O)Nc1ccc2c(CSc3nc(C(F)(F)F)nc4ccccc34)cc(=O)oc2c1 49799693 YWIFEOXFLMPNLF-UHFFFAOYSA-N 445.422 5.006 0 40 IKAB c1ccc(CN2CCN(c3ncnc4c3c(-c3ccccc3)cn4-c3ccccc3)CC2)cc1 54387950 OQJPTPOMAABVEX-UHFFFAOYSA-N 445.570 5.410 0 40 IKAB Cc1ccc2[nH]cc(C(=O)CSc3nnc(-c4ccsc4)c(-c4ccsc4)n3)c2c1 57742558 ZWBJTDFBIOXDPS-UHFFFAOYSA-N 448.598 6.093 0 40 IKAB Cc1cc(Sc2ncccn2)ccc1NC(=O)N[C@@H](C)c1cccc(Br)c1 58356686 HPHLRAHYOVGPAW-AWEZNQCLSA-N 443.370 5.581 0 40 IKAB CC(=O)Nc1ccc(C)c(NC(=O)c2ccc(-c3cccc(Br)c3)nc2C)c1 58431616 IJEWRQJIYBTVJY-UHFFFAOYSA-N 438.325 5.339 0 40 IKAB COc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)c(OC)c1 67294870 QORVUTHIHFULPW-PNHLSOANSA-N 449.894 5.292 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 95454857 FNMDAQXRISRNJK-LJQANCHMSA-N 431.540 5.208 0 40 IKAB Cc1cc2ccccc2c(-c2c(Br)ccc3ccccc23)c1Br 95496238 DXMGDHIXPCKICU-UHFFFAOYSA-N 426.151 7.493 0 40 IKAB Cn1/c(=N\C(=O)c2ccc(Oc3ccccc3)cc2)sc2cc(Br)ccc21 103667295 UEGJGULBBQQIKX-XTQSDGFTSA-N 439.334 5.536 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(=O)(=O)c1ccc(Cl)cc1 107616544 VXBINCPEYXSZEB-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4Cl)c3)C2=O)cc1 214450665 NZUZCSZCTATZFW-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccccc1Cl 223054285 XCTXGHBSICMJRK-VWLOTQADSA-N 448.994 5.396 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223185886 RMGVGRQXIAUUNM-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 223235110 PGZIUTDMBBSQMN-LJQANCHMSA-N 447.044 5.215 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1ccc(C(C)C)cc1 223461778 BADLBROVGYKYNS-NRFANRHFSA-N 438.612 5.085 0 40 IKAB CC(C)C[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccccc1 223967872 FRCMVKXSRATWDG-QHCPKHFHSA-N 440.540 5.144 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 224138374 BLTWHTMYJHRECX-NRFANRHFSA-N 433.017 5.074 0 40 IKAB CC(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(F)cc3)c2)cc1 224166897 FOGTWOUZDAOSPC-UHFFFAOYSA-N 426.513 5.027 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 224200786 JXXFMRJLNKJPGY-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 224618130 HTJQFNGYBYNEQY-VWLOTQADSA-N 438.612 5.042 0 40 IKAB CCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628910 QOMUDYHCVCKIAP-UHFFFAOYSA-N 436.360 5.884 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 224690465 VYDWPTOODJLKTQ-QHCPKHFHSA-N 445.003 5.079 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 224872557 IIELSSUOEQGINZ-NRFANRHFSA-N 446.566 5.291 0 40 IKAB COC(=O)c1ccc(C)c(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225364735 GSBWXMAEMCOXMF-UHFFFAOYSA-N 443.421 5.308 0 40 IKAB C[C@@H](NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(C(C)(C)C)cc1 225406071 JFAYWVSXDCTYEH-GFCCVEGCSA-N 425.823 6.448 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCCC2)ccc1OCC 225765424 DDIVYRKPWGULHF-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)cc1C(=O)OCC 225773567 FGAQFJRNEALXPY-UHFFFAOYSA-N 439.552 5.038 0 40 IKAB Cc1ccc(C2=NN=C(SC(=O)Nc3cc(C(F)(F)F)ccc3Cl)CO2)cc1 226820622 QQIQGCWAYJOPTM-UHFFFAOYSA-N 427.835 5.723 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2c(-c3ccccc3)c[nH]c2c(=O)n1C(C)C 240122676 WGPBPMVQXHDALR-UHFFFAOYSA-N 432.549 5.012 0 40 IKAB COc1ccccc1-c1cccc(CC2(C(=O)N[C@H](C)CN3CCCC3)CCCCC2)c1 257217084 CXJCENKXMUBNLV-JOCHJYFZSA-N 434.624 5.456 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(F)cc3)n(CCc3ccccc3)n2)c(OCC(=O)O)c1 257228275 FTGHKMIZUHCPPT-UHFFFAOYSA-N 430.479 5.371 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2ccc3ccccc3n2)o1 257345023 ZZPYPNDVRYWIPM-QHCPKHFHSA-N 427.504 5.190 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1CC 408561007 ULNZXFSVXQPGGD-UHFFFAOYSA-N 444.604 5.644 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3ncn(-c4ccccc4)n3)ccc21 408600083 TZXJSIRHRZFBTJ-UHFFFAOYSA-N 427.533 5.126 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1OCc1ccc(C)cc1 408610200 OFRHOCRUILMKKH-UHFFFAOYSA-N 425.912 5.936 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)c(C)c1 408693771 DFWSJXYMQSDXIT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(F)c3)nc2-c2ccc(Cl)cc2)cc1Cl 408697445 JGITZYHVBPGNLD-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1[nH]c2ccccc2c1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@H]2C)C1=O 408816208 XYZBWDQPYARYBS-PMMNQCRDSA-N 430.597 6.530 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1)c1cccc(Cl)c1 408924652 LCGCIKSWMUMNBN-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)cc1 408971912 LUWXUVOZNSEROC-UHFFFAOYSA-N 428.724 6.291 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)O)cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@H]34)cc2)cc1 409001477 WCRFTXYLBXOVKK-DHYWSWINSA-N 439.555 6.569 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 409021327 BMNVZOUHWMKEML-UDWIEESQSA-N 431.941 5.762 0 40 IKAB CCOc1ccc(NC(=O)C2CCN(C(=O)c3ccc(-c4ccccc4)cc3)CC2)cc1 409065770 UAGUWISACATSEQ-UHFFFAOYSA-N 428.532 5.243 0 40 IKAB CCCn1c(SCC(=O)Nc2ccc(F)c(Cl)c2)nnc1-c1ccc(Cl)cc1 409086881 HPPRLGCLMKTWAT-UHFFFAOYSA-N 439.343 5.532 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 409108872 YOMHSRIUZJUNJA-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)cc(I)c1OCC 409110158 SSRZDKQEJUELJA-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB O=C1S/C(=C/c2cc(Cl)c(O)c(Br)c2)C(=O)N1c1cccc(Cl)c1 409200113 GSBOIHIKOHGEJO-AWNIVKPZSA-N 445.121 5.702 0 40 IKAB Cc1ccc(-c2sc(NC(=O)CCC(=O)c3ccc(F)cc3)nc2-c2ccccc2)cc1 409202409 RWHBNLOBFSLDGV-UHFFFAOYSA-N 444.531 6.526 0 40 IKAB COc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1cccc(C)c1 409252317 RRMNSCNBWDRGOQ-FYJGNVAPSA-N 448.906 5.333 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Br)c(Cl)c2)c2ccccc2)cc1 409311444 GCDHIBAZVFEUIF-CPNJWEJPSA-N 442.740 6.290 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4C[C@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@H]1CCC2=O 504776093 DCJVKINJRHKIHH-HGGXSKBVSA-N 429.645 5.386 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=S)Nc3ccccc3CC)cc2c1 894871 WCPPPNQTIJYIMG-QFIPXVFZSA-N 449.620 5.031 0 40 IKAB FC(F)(F)c1cccc(NCn2nc(-c3ccccc3Br)oc2=S)c1 1064268 UOAWRTJWQZXYTI-UHFFFAOYSA-N 430.249 5.723 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4ccc(C)cc4C)sc3n2)cc1OC 1088024 AUFKXQQBEAXZES-UHFFFAOYSA-N 433.533 5.432 0 40 IKAB COc1ccc2cc([C@@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 1254426 IFMZZZWTDXEPCS-QFIPXVFZSA-N 445.906 5.790 0 40 IKAB Cc1cc(C)c(S(=O)(=O)c2ccccc2)c(OC(=O)c2c(Cl)cccc2Cl)n1 1388262 LSMIZQNWFFWTPY-UHFFFAOYSA-N 436.316 5.057 0 40 IKAB Nc1nc(CCC(=O)Nc2cccc(C(F)(F)F)c2)cc(-c2cccc3ccccc23)n1 1625289 NXJXJCFZGNHRIP-UHFFFAOYSA-N 436.437 5.469 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1c1ccc(F)c(Cl)c1 2059607 FMUGBWKYRVFYAD-LJQANCHMSA-N 431.692 6.013 0 40 IKAB Cc1nc(N)nc(-c2ccc(OCc3c(F)cccc3Cl)cc2O)c1-c1ccccc1 2207026 YTQQFAQJHXYOKS-UHFFFAOYSA-N 435.886 5.778 0 40 IKAB biogenic CCCCc1ccc(-n2c(N)c(C(=O)OC[C@H](C)CC)c3nc4ccccc4nc32)cc1 2399348 CALXKNREIZSSIK-QGZVFWFLSA-N 430.552 5.701 0 40 IKAB O=C(/C=C/c1ccccc1)N[C@@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl 2674197 UWEIALNJIZNATP-ZNFPLGDCSA-N 438.569 5.931 0 40 IKAB CCc1c(C)sc(NC(=O)c2sc3cc(C)ccc3c2Cl)c1C(=O)OC(C)C 2737766 KDRVHSTYTXOTRV-UHFFFAOYSA-N 435.998 6.613 0 40 IKAB CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4Br)o3)cc2)CC1 3012074 KKFLDGBYHKQNIU-UHFFFAOYSA-N 425.370 7.240 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)OCC(=O)c1ccc(F)cc1 3220282 XVDBJMLBXUNMPI-SFHVURJKSA-N 431.813 5.361 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1 3225439 VXBPBAALBVHMMN-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB Cc1ccc(NC(=O)C[C@H](NC(=O)c2ccccc2Cl)c2ccccc2)cc1Cl 3248065 GESCVUIWLWSEPL-NRFANRHFSA-N 427.331 5.802 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)c1ccc(OC(F)F)cc1 3261541 XDRZSWYDOCOBIL-UHFFFAOYSA-N 443.500 5.572 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1Cl 3300497 BDHHOVGUKOHGLG-KHMHUBCMSA-N 440.326 6.238 0 40 IKAB CCc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 8590326 PFFQAPCPNOECKV-OAQYLSRUSA-N 430.529 5.487 0 40 IKAB Cc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@H]1CCCO1 8973185 VIRVWGRWVAGDNA-LJQANCHMSA-N 428.536 5.388 0 40 IKAB CCn1c(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc2ccccc21 9075814 QTRKIPBLJOFOED-FOCLMDBBSA-N 425.919 6.184 0 40 IKAB CSc1nc(SCC(=O)c2ccc(F)cc2)c2c3c(sc2n1)COC(C)(C)C3 9076183 ZVQYDFWSHMHXQL-UHFFFAOYSA-N 434.583 5.379 0 40 IKAB CCOCCCNc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3 9109744 ALYRHFNAPACVEU-UHFFFAOYSA-N 430.643 5.487 0 40 IKAB Clc1cccc(CSc2nnc(-c3ccc(I)cc3)o2)c1 9200467 MWRPPJKJKCPINJ-UHFFFAOYSA-N 428.682 5.287 0 40 IKAB Cc1ccc(CN2C(=O)[C@@]3(SCC(=O)N3c3ccc(Cl)cc3)c3ccccc32)cc1 9225571 QHOMDJHEIMFBIB-DEOSSOPVSA-N 434.948 5.128 0 40 IKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1c(F)cccc1Cl 9232653 REDXJYHEPVJACY-OVCLIPMQSA-N 426.694 5.478 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)N[C@H](C)c2ccccc2)cc1 9250249 JCRKLIFKLVEABT-LJQANCHMSA-N 447.604 5.483 0 40 IKAB Cc1c(OCC(=O)c2c(C)n(C)c3ccccc23)ccc2c3c(c(=O)oc12)CC[C@H](C)C3 9309305 OXEMDAHOGIEVGQ-HNNXBMFYSA-N 429.516 5.288 0 40 IKAB c1csc(Cc2nnc(SCc3nc4ccccc4s3)n2C2CCCCC2)c1 9466405 SLSBTBAEXJQYGP-UHFFFAOYSA-N 426.636 6.338 0 40 IKAB O=C(Nc1ccc(OCC(F)(F)F)cc1)c1cn(-c2ccccc2)nc1-c1cccnc1 10979627 OSMSKSRFUVHLSX-UHFFFAOYSA-N 438.409 5.128 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)Nc1ccc(Br)cc1F 11399743 HECGYYNAYQHHBV-UHFFFAOYSA-N 437.490 5.022 0 40 IKAB Cc1ccc(NC(=O)N(CCCCN2C(=O)c3ccccc3C2=O)c2ccc(C)cc2)cc1 11617230 KAOFSWAOJRANOO-UHFFFAOYSA-N 441.531 5.418 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4cc(C)c(C)s4)C3)cc2n1 12276486 BSUIEGRABBCZIX-AWEZNQCLSA-N 436.503 5.009 0 40 IKAB CC(=O)N1CCN(c2ccc(Oc3ncnc4scc(-c5ccc(C)cc5)c34)cc2)CC1 12534895 QNSBWSPBZFSJJH-UHFFFAOYSA-N 444.560 5.128 0 40 IKAB Cc1sc2nc(SCc3nc(-c4cccs4)no3)n(CC(C)C)c(=O)c2c1C 12787021 UHQLBIPHGIRVDT-UHFFFAOYSA-N 432.596 5.135 0 40 IKAB Cc1nc(C[S@@](=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 12955606 YNPLJDWCYJTOEU-SANMLTNESA-N 427.740 5.845 0 40 IKAB Clc1cccc(N2CCN(Cn3c(COc4ccccc4)nc4ccccc43)CC2)c1 13097713 JRVMRFYCHPSHMF-UHFFFAOYSA-N 432.955 5.048 0 40 IKAB Cc1nnc(SCc2nc3sc(-c4ccccc4)cc3c(=O)[nH]2)n1C1CCCCC1 13117516 ZEIGOZYKEMIECY-UHFFFAOYSA-N 437.594 5.349 0 40 IKAB O=C(COC(=O)C1(Cc2nc3ccccc3s2)CCCCC1)Nc1ccc(F)cc1 13150439 MRDVCJGFPTUVMO-UHFFFAOYSA-N 426.513 5.110 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(CCc1ccccc1)C(=O)Cc1cccs1 13498338 TVKQQZLETSKJFV-SANMLTNESA-N 446.616 5.162 0 40 IKAB CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C1CCCC1 13501067 QUSOATSFHYBNDL-QHCPKHFHSA-N 448.615 5.142 0 40 IKAB COc1ccc(-c2c(N)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 13609475 SMIZHCZFVBXEPM-UHFFFAOYSA-N 442.298 5.937 0 40 IKAB biogenic COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c1 13943869 LGJMUUUJBQTCNM-NDEPHWFRSA-N 436.555 6.721 0 40 IKAB Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 15670904 ICXHSJHYBCWYFR-UHFFFAOYSA-N 445.832 5.219 0 40 IKAB O=C(CN1C(=O)CC(c2ccc(F)cc2)=Nc2ccccc21)Nc1ccc(F)c(Cl)c1 15770934 PGVZJPZPKHSTMC-UHFFFAOYSA-N 439.849 5.114 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4ccc(Cl)c(Cl)c4)o2)N3)C1 15947469 WDINJFCEZYIXJT-DGIBIBHMSA-N 433.360 6.869 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc(F)cc1F 16713341 RVTKJVAJYQPCOK-UHFFFAOYSA-N 447.919 6.021 0 40 IKAB Cc1ccc(C(=O)Cn2nc(CNc3ccc(F)cc3)n(-c3ccccc3)c2=S)cc1 16769148 TUZABYTZDXUGCN-UHFFFAOYSA-N 432.524 5.346 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccccc3)csc2c1=O 16845109 VPPJIHWKKGVMEJ-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2ccccc2)C1 19636956 ZJXIRMVKFWGAQH-OAHLLOKOSA-N 442.581 5.345 0 40 IKAB Cc1cc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)ccc1Br 20105190 FMRNFDPTKHHNRO-UHFFFAOYSA-N 442.378 6.181 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCCc3ccccc32)cc1 20488570 SMXRBVYQISJAGN-UHFFFAOYSA-N 434.539 6.684 0 40 IKAB COc1ccc(N(Cc2cccs2)C(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1 28192543 CXIQBCIDUJHUTG-UHFFFAOYSA-N 445.466 5.359 0 40 IKAB COc1cc2c(cc1/C=C/C(=O)N(c1ccccc1)c1nc3ccccc3s1)O[C@@H](C)C2 32722592 YAMBGEKVOXNTNJ-UJGDBWEASA-N 442.540 6.006 0 40 IKAB O=C([C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc23)CC1 32904470 YKBICSCPQRCOBS-LEWJYISDSA-N 441.600 6.367 0 40 IKAB CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4ccc(C)cc4n3)c2)cc1 33068081 MVKITUVEZYSDER-UHFFFAOYSA-N 442.519 5.097 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccccc4Cl)cc3)n2)cc1 33318101 FMVDBDDEVZCDQR-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCOc1cc(C)c(/C=C2/C(=O)N(c3ccc(CC)cc3)C(=S)N=C2O)cc1C(C)C 33572245 KDTDMPIRALKKMG-KGENOOAVSA-N 436.577 5.751 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 33747810 UUENVKHVYBAYBA-CWYSJSGYSA-N 440.518 6.028 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1sc2cc(Cl)ccc2c1Cl 33779047 BSRQDTPRGBCHOB-UHFFFAOYSA-N 439.323 7.269 0 40 IKAB O=C(NCc1ccc(F)cc1)[C@H](c1ccccc1)N(Cc1cccs1)C(=O)c1ccco1 35312317 PKRSGZXUGCODON-QHCPKHFHSA-N 448.519 5.180 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(Cc3ccc(Cl)cc3)[C@H]2c2ccccc2Cl)cc1 40485668 VVCARATVMMFVQU-QFIPXVFZSA-N 440.326 6.055 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccc(Br)cc3)=NN21 40487529 XGQUTMJLDSGZSQ-REWPJTCUSA-N 435.321 5.700 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(CN4CCCC4)cc3)cc2)cc1 44857226 HNYLCXUOEFYHSS-UHFFFAOYSA-N 430.617 5.813 0 40 IKAB O=C(Nc1ccc2nc(Cc3ccccc3F)[nH]c2c1)c1ccc(F)cc1Br 58158019 UPBYGGUCPJDBOE-UHFFFAOYSA-N 442.263 5.447 0 40 IKAB Cc1sc(CNC(=O)c2c[nH]c(=S)n2-c2ccccc2)nc1-c1ccc(Cl)cc1 58394202 AFHQGANSVVVZGI-UHFFFAOYSA-N 440.981 5.550 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)N1CC[C@H](c2nnc(-c3cccs3)o2)C1 72390523 QBZIJSFVJIJUTN-INIZCTEOSA-N 443.528 5.442 0 40 IKAB Cc1nc(C)c(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)s1 100739094 OWDAVYYQDYOSIC-PUZFROQSSA-N 449.624 5.439 0 40 IKAB Cc1ccc(Cl)c(NC(=O)/C(=C/c2cccnc2Cl)C(=O)Nc2ccccc2)c1 215739532 MDNPDRNQGFSINL-GHRIWEEISA-N 426.303 5.358 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3Cl)o2)c1 216033062 KHWANOAWUUEYTR-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB Cc1ccccc1-c1noc(C[C@@H]2CCCN(C(=O)CSc3c[nH]c4ccccc34)C2)n1 220821327 GJKLGBXZZIMFPU-SFHVURJKSA-N 446.576 5.100 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3nc4ccccc4s3)N21 222676068 KGVHHYQGTAGNLT-IWMITWMQSA-N 431.590 5.461 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](Cc1ccccc1)C(=O)NCC(C)C 222909528 ZMMWCZXTPDPTGN-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 223330044 HTSFRWKZDZOAOP-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)c(C)c2)S(C)(=O)=O)cc1 223792478 IQRXZIWDIBOTGV-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223793541 OIVKEBPLDBWJCO-NRFANRHFSA-N 435.395 5.260 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223867121 RUZGLHWEGXGXIB-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(Cl)cccc1Cl)[C@@H](C)C(=O)NCC(C)C 224142550 DYXJZRKRVBTYAV-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1cccc(Cl)c1 224145507 RULZGPRNHLMUGB-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(=O)Nc2cccc3ccccc23)c1 224167239 DONVVETWNKMUQR-UHFFFAOYSA-N 434.492 5.056 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1COc1ccc(C(C)(C)C)cc1 224184185 SFQOVSDEKHCPFC-UHFFFAOYSA-N 431.532 6.027 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 224282415 NUDWQDVTQWTVBR-QHCPKHFHSA-N 444.978 5.196 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C)c(C)c3)c2)cc1Cl 224292184 PFHNWBPYXTXKET-UHFFFAOYSA-N 425.912 5.805 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 224628856 LPDQJTOROJPZCD-DEOSSOPVSA-N 438.612 5.077 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 224906795 XIJMFIQSRIFCNF-QGZVFWFLSA-N 435.395 5.096 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225131815 DCUJXHHDTVORNW-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225345048 BBRNRHFCLZITHW-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225604100 QEWUAEWTBLDPAJ-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225616363 OJRMEKCLUIEMGN-AVRDEDQJSA-N 447.044 5.544 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764955 OZENZIWPWAXMDM-IBGZPJMESA-N 435.995 7.511 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)c2ccccc12 225764985 AHEASIXDKDTAML-UHFFFAOYSA-N 435.995 7.369 0 40 IKAB CC(C)COc1ccc(NC(=O)C(C)(c2ccccc2)c2ccccc2)cc1C(F)(F)F 225955949 LMINQSAMMCJDAH-UHFFFAOYSA-N 441.493 6.685 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3ccc4c(c3)ncn4C)C2)n1 257288889 PWBZBSORHFHRQV-HXUWFJFHSA-N 428.511 5.103 0 40 IKAB CCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2OC)n1 257341196 ZJGSZGYFZWKEBK-UHFFFAOYSA-N 446.478 5.510 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCC[C@@H](C)C1 260814762 NINRTMZXLKOOEL-TVZXLZGTSA-N 430.633 5.501 0 40 IKAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1ccc(Cl)cc1Cl 408678925 KMXUVCMSGGGPDO-QGZVFWFLSA-N 428.381 5.209 0 40 IKAB CCc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)cc1 409026692 VHJCKURTQJQJOF-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2ccccc2F)C(=O)N1CCCc1ccccc1 409139581 BMGBNNZKQHZIPC-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc(Cl)c1 409202023 NRBUEOVMOXAJAF-YDZHTSKRSA-N 444.943 6.584 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)c2ccccc21 409354317 BZNRWFGKPOWQBQ-BKUYFWCQSA-N 433.533 5.035 0 40 IKAB CCOc1ccccc1CC[C@@H]1O[C@@H]2c3cc(Cl)ccc3OC(C)(C)[C@H]2C[C@H]1C(=O)O 585264817 PIUZPALOFHYCLV-WKHFQEMYSA-N 444.955 5.690 0 40 IKAB O=S(=O)(Nc1ccccc1Sc1ccc(Cl)cc1)c1ccc2nc(O)oc2c1 612918464 JTRZBPGVXKYAIE-UHFFFAOYSA-N 432.910 5.139 0 40 IKAB Cc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1ccc(Cl)cc1)CCOCCO2 643572944 QUNUTODJVJPUKC-UHFFFAOYSA-N 449.978 5.220 0 40 IKAB Nc1c(C(=O)NCCc2ccccc2)sc2nc(-c3ccccc3)cc(C(F)(F)F)c12 717968 DWVBMUSAKZVJMI-UHFFFAOYSA-N 441.478 5.537 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)COc1cc(C)ccc1C(C)C 724761 SDKCQMCCXAEYPH-UHFFFAOYSA-N 430.504 5.953 0 40 IKAB CCOC(=O)c1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccccc1OC 1463863 NORJMERQESJXIA-UHFFFAOYSA-N 448.446 5.363 0 40 IKAB biogenic Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 1878423 SCAXCWKCOODJHX-UHFFFAOYSA-N 431.706 7.016 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1nnc(SCc2ccc(Cl)cc2Cl)s1 2329709 AANWEHQEXFEXEX-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB CC(C)(C)c1ccc(-c2nnc3sc(COc4ccc(Cl)cc4Cl)nn23)cc1 2394375 LMTWHADAYSPHBQ-UHFFFAOYSA-N 433.364 6.036 0 40 IKAB O=C(Nc1ccc(N2CCCC2)c(Cl)c1)c1ccc(-c2ccc(Br)cc2)o1 2413513 JRXQQYVRXQKGDY-UHFFFAOYSA-N 445.744 6.215 0 40 IKAB C[C@@H](Oc1cccc2c1CCN(Cc1ccc(Br)cc1)C2=O)c1ccccc1 2716200 PGXZDBXTQBINIA-QGZVFWFLSA-N 436.349 5.788 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1Cl 2727578 VXOIMDLRAYWZKQ-AWEZNQCLSA-N 449.848 5.617 0 40 IKAB Cc1nn(CCc2nnc(-c3sc4cc(Cl)ccc4c3Cl)o2)c(C)c1Cl 2786495 LTQNADLFRPJZTA-UHFFFAOYSA-N 427.744 5.968 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1 3166905 UVXZXUORCRCZOV-UHFFFAOYSA-N 442.950 5.155 0 40 IKAB Cc1cc2oc(=O)cc(C[C@H](C(=O)Nc3ccccc3)C(=O)c3ccccc3)c2cc1C 3324679 LFMVCDSXAFJQKQ-QHCPKHFHSA-N 425.484 5.090 0 40 IKAB O=C(O)COc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)c(C(F)(F)F)oc2c1 6140643 BDFJMPQHVNHSJA-UHFFFAOYSA-N 449.164 5.374 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)c1c(C)nn(Cc2ccc(C)cc2)c1Cl 7007231 XMNUFCGZLJELFQ-UHFFFAOYSA-N 425.960 5.760 0 40 IKAB Brc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8386339 GVJMVYKQDNRJPG-QHCPKHFHSA-N 432.317 6.475 0 40 IKAB CC(C)(C)c1cc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc(C(C)(C)C)c1O 8400693 CVOSHAAHDIKXCY-MOSHPQCFSA-N 441.568 6.363 0 40 IKAB CCCCOc1ccc(C(NC(=O)c2ccccc2F)NC(=O)c2ccccc2F)cc1 8440284 JEPRZNOFSATJTC-UHFFFAOYSA-N 438.474 5.002 0 40 IKAB Cc1cc(-c2cccs2)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C(=O)O)sc2n1 8451276 GSSKELJHIOCTJM-UHFFFAOYSA-N 443.937 5.519 0 40 IKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2 8534852 CYCORSHQQJETLP-GWKODMSMSA-N 427.991 6.753 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(F)cc2)on1 8592898 IOFQNSWBKPWVEY-UHFFFAOYSA-N 436.464 5.638 0 40 IKAB Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccccc2Cl)CC[C@@H](C)C3)c1 8781324 IITWULYVMMLBGY-OAHLLOKOSA-N 438.980 6.339 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3cccc4ccccc34)CC2=O)c1 8871409 FEQHTJVECFXNOP-JOCHJYFZSA-N 447.538 5.767 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)NCc1cccs1 9119463 IDVBCBSUGINCHQ-UHFFFAOYSA-N 433.002 5.184 0 40 IKAB O=Cc1cc(Br)c(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 9295667 NESQWQMNNFKOHZ-UHFFFAOYSA-N 438.930 5.910 0 40 IKAB Cc1ccc(-c2nc(NC(=O)c3ccc(Br)cc3)sc2-c2ccccc2)cc1 9354675 BCHGITXSZHRDNF-UHFFFAOYSA-N 449.373 6.800 0 40 IKAB O=C(NCc1n[nH]c(=S)n1-c1ccc(Cl)c(Cl)c1)c1cc(Cl)ccc1Cl 9369262 LAYPXDCDLSMMPH-UHFFFAOYSA-N 448.162 5.473 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)c3cc(Br)cc(C)c3n2)cc1 9371765 XOTXLGFXMOMDSE-UHFFFAOYSA-N 445.360 6.211 0 40 IKAB CC(C)OCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(C(C)C)cc1 9409136 VRPKPEVLKRSJTJ-VWLOTQADSA-N 433.552 5.266 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)N1CCc2ccccc21 9508185 IYYUXPKPUPQWAV-UHFFFAOYSA-N 427.938 5.286 0 40 IKAB COc1ccc2ncc3c(-c4ccc(OC)c(OC)c4)nn(-c4ccc(F)cc4)c3c2c1 9676041 HCZIADPLDHUMSY-UHFFFAOYSA-N 429.451 5.406 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(OCC)cc23)cc1 9838602 ITJJEUIKKOVQTD-UHFFFAOYSA-N 448.544 5.609 0 40 IKAB C[C@@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1Cl 9956721 JQYIFRBUTKTEKC-HNNXBMFYSA-N 435.940 5.339 0 40 IKAB O=C(c1ccc(Br)s1)N(CCCn1ccnc1)c1nc2ccccc2s1 10337698 DSQCCQNYORVYKW-UHFFFAOYSA-N 447.383 5.054 0 40 IKAB CN(C)[C@@H](CNC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1)c1ccccc1Cl 11563523 BGBAYYPOMIRUOG-QFIPXVFZSA-N 446.938 5.090 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(C)=O)cc1 11847440 OIKZXNWVRLNNHN-HSZRJFAPSA-N 442.544 5.307 0 40 IKAB Cc1oc2cc(OCC(=O)C(C)(C)C)ccc2c(=O)c1-c1ccc(Br)cc1 11868349 UAYSFNPOZRPAJO-UHFFFAOYSA-N 429.310 5.525 0 40 IKAB biogenic Cc1cccc(-n2c(SCc3cn4cc(Cl)ccc4n3)nc3ccccc3c2=O)c1C 12624011 NKUKAAHEEFKIBF-UHFFFAOYSA-N 446.963 5.596 0 40 IKAB CSCC[C@@H](NCc1cc(C)n(-c2ccnn2C(C)C)c1C)c1nc2ccccc2[nH]1 13109880 MSGBAUHGWGGGKD-JOCHJYFZSA-N 436.629 5.332 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CNC2CCCCC2)cc1 13146601 AZLIJBXIYNQDQZ-MHZLTWQESA-N 441.575 5.448 0 40 IKAB COc1cc(C(=S)N2CCN(Cc3ccccc3)CC2)ccc1OCc1ccc(C)cc1 13547511 MZBMHFUWFVVLQV-UHFFFAOYSA-N 446.616 5.076 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)N1c2ccccc2Sc2ccccc21 13717108 GLOPRHJHOIKRSG-UHFFFAOYSA-N 426.994 6.586 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(Cl)c(C(=O)c2ccccc2)c1 13839313 JPCTYTZNBDYDFE-UHFFFAOYSA-N 444.712 5.594 0 40 IKAB COc1ccccc1C(=O)Nc1ccc(Oc2nc(C(F)(F)F)nc3ccccc23)cc1 14138883 BZUGNTQVDZYTEI-UHFFFAOYSA-N 439.393 5.702 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1SCc1cccs1 14170683 YCOUZFUNMLYLJJ-UHFFFAOYSA-N 447.629 5.832 0 40 IKAB CCN(CC)CCn1c(NC(=O)c2cc(Br)ccc2Cl)nc2ccccc21 14651471 FRFMWIWZFFQZDQ-UHFFFAOYSA-N 449.780 5.046 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccccc3Cl)c(OC)c2)cc1OC 16227440 SGVNEBCELSLDQX-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB COc1cccc(CNCCc2ccccc2F)c1OCc1ccc(Cl)cc1Cl 16228252 BNQWEMIQEWCZOR-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2Cl)c(OC)c1 16268751 QIMRYLLAPZFRDQ-UHFFFAOYSA-N 436.895 6.035 0 40 IKAB COc1c(C(=O)Nc2ccc(Cl)cc2Cl)cc2ccccc2c1Br 17094251 NAQSPMMRQNENQF-UHFFFAOYSA-N 425.109 6.170 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2ccccc2)CCC3)cc1OCC 17315538 XFCLZWRQPUFKLX-UHFFFAOYSA-N 444.531 5.329 0 40 IKAB Cc1cccc(CC(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C(C)C)cs2)c1 19234584 HPPFGUFZCRVQQQ-UHFFFAOYSA-N 447.604 5.259 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccc(-c3ccc(F)cc3)cc2)ncc1C(=O)N(C)C 19764575 JUXCVJUTWFYDBB-DEOSSOPVSA-N 432.543 5.020 0 40 IKAB COc1ccc(-c2csc3nc(CNc4ccc(Br)cc4)[nH]c(=O)c23)cc1 19926602 ANSYNTCWICXSDP-UHFFFAOYSA-N 442.338 5.035 0 40 IKAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(OCc3cccc(Cl)c3)c1)CC(O)=N2 20729659 KSUJYFMCEBGYPZ-FQEVSTJZSA-N 445.910 5.327 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(CN2CCC[C@H]2c2cccn2C)cs1 25051681 VKPPLCHCBGNXFY-FQEVSTJZSA-N 448.514 5.522 0 40 IKAB CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)[C@@H](Sc1ccccc1)c1ccccc1 26125526 MWUBQYUZJQKKAX-DEOSSOPVSA-N 430.573 5.071 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2ccc(Cl)cc2)c1C 26770863 PZEYHPDPENKTTN-DEOSSOPVSA-N 447.003 7.472 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccc(Br)cc2)c2c[nH]c3ccccc23)cc1 27744642 XTNYSYSWYGZZLZ-NRFANRHFSA-N 449.348 5.501 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccccc1CSc1nc2ccccc2o1 32666049 WSQMXMDUZVJXPM-UHFFFAOYSA-N 443.528 5.499 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)c1cc(-c2ccccc2)nn1-c1ccccc1 32906515 BOARIQCWMQKCQO-UHFFFAOYSA-N 436.515 5.028 0 40 IKAB Cc1c(Cl)cccc1Nc1c(-c2cc(Br)ccc2O)nc2cnccn12 35616335 PUXXBJRXILSNKZ-UHFFFAOYSA-N 429.705 5.570 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834598 UEKRADXYHLNGEW-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)c1 44947636 STXYJWWGPNCLFT-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CCC(C)(C)C1CCC2(CC1)S[C@@H](C)C(=O)N2c1ccc(OCc2ccccc2)cc1 49947097 PVVZWJPVEYKMNH-JIZYPXFJSA-N 437.649 7.057 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 59418205 AQSYCGTYRVDRMB-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5cccc(F)c5)n4ccn3n2)cc1 67260691 PLYCLCZGWBNTBZ-UHFFFAOYSA-N 447.539 5.654 0 40 IKAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2cccc(C)n2)cc1Cl 67295803 OVKWDPRAYAKGGW-PNHLSOANSA-N 449.894 5.292 0 40 IKAB O=C1CCCN1c1ccc(CC(=O)N(Cc2cccs2)C23CC4CC(CC(C4)C2)C3)cc1 72292675 HWGZWGFRPOSLII-UHFFFAOYSA-N 448.632 5.415 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2cc(Cl)c(Cl)cc2C)sc2c1CCCC2 72414572 UXBSHTPKLRKDMJ-UHFFFAOYSA-N 448.393 5.220 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@H]2C[C@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 100740224 FFZPKBOIZNYVTR-BORKOYIJSA-N 426.601 5.920 0 40 IKAB C[C@@]12C[C@@H](c3ccccc3)[C@](C)(C(c3ccccc3)=C1c1ccccc1)[C@]2(O)c1ccccc1 104155613 RYCCTEIDFGNPEH-KBOQGHHJSA-N 442.602 7.699 0 40 IKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(CCOc4ccc(C)cc4)C3=O)c2c1 106781562 VUOILBZMKGZBBD-HAHDFKILSA-N 449.528 5.281 0 40 IKAB CC[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)c1ccc(C)cc1 216233687 HACFTXIFZWPKDG-JOCHJYFZSA-N 449.016 5.094 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 222722608 UMSBUBXAHGWYNV-MRXNPFEDSA-N 435.395 5.213 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c1 223108984 OZWCUZMAFSQNQU-BJKOFHAPSA-N 432.593 5.186 0 40 IKAB O=C(Nc1ccc(OC2CCCC2)cc1)/C(=C/c1cccs1)NC(=O)c1ccccc1 223165958 PZTMBIXXWCPPFZ-QJOMJCCJSA-N 432.545 5.479 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)cc1Cl 224005484 BJJLDQMLTUXUMJ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1 224535332 HWAFONQOUMKPSL-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1cc(C)cc(C)c1C 224615251 ZKMOYUCPUTXXMA-UHFFFAOYSA-N 445.603 6.967 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1CSc1ccc(C)cc1 224662867 AANBRJSGEFMYND-UHFFFAOYSA-N 446.399 7.245 0 40 IKAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)cc2)n1 225287340 FUBIIDORITVSMK-UHFFFAOYSA-N 439.603 6.268 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225525961 XYDOHOAYQSRWSF-VGOFRKELSA-N 449.422 5.566 0 40 IKAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225833334 WURJGXCXGWVREZ-UHFFFAOYSA-N 425.532 6.318 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257211690 BZYKZMKPPREFFW-SFHVURJKSA-N 440.490 5.107 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C[C@H]2CCCO2)cc1 260912154 FHZDHJOYPDWZAZ-SDUSCBPUSA-N 446.620 5.363 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408699844 ZSFIMLCGHRKRRU-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB O=C(Nc1cccc2ccccc12)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408700017 YKSHAWBAAQXYDQ-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB O=C(Nc1ccccc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)c(Cl)c2)n1 408700244 ZYZRFNGKMGPVOG-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CCOc1ccc2ccc(OCC)c(/C=C3/C(=O)N(C4CCCCC4)C(=S)N3C)c2c1 409078081 HPEKGOWMMPJDMP-JWGURIENSA-N 438.593 5.370 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C1=O)c1ccccc1 409219816 QPYITZXZPOJCPY-OEAKJJBVSA-N 447.487 5.324 0 40 IKAB Cc1ccc(-c2nnc(Oc3ccc(NC(=O)c4ccccc4)cc3)c3ccccc23)cc1 719336 UZQPBZSYCYMHDN-UHFFFAOYSA-N 431.495 6.650 0 40 IKAB aggregator O[C@@H](COc1ccccc1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 850533 XBHJIMQNBYEHJC-QDPGVEIFSA-N 444.619 5.822 0 40 IKAB CCc1ccccc1NC(=O)c1cnn2c1N[C@@H](c1cccc(OC)c1)C[C@H]2C(F)(F)F 883997 QAHWGGZMPUUDOP-UXHICEINSA-N 444.457 5.367 0 40 IKAB COc1ccc2cc([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)c(Cl)nc2c1 1254425 IFMZZZWTDXEPCS-JOCHJYFZSA-N 445.906 5.790 0 40 IKAB CCCSc1nnc2c(n1)O[C@@H](c1sccc1C)N(C(=O)CC)c1ccccc1-2 2114090 WMVAYZJDNSBICX-FQEVSTJZSA-N 426.567 5.245 0 40 IKAB O=C(O)c1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1 2189943 JDEMLFSUNRYLRS-UHFFFAOYSA-N 448.569 5.317 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1 2220534 ATZSTCLTOIAWCY-UHFFFAOYSA-N 435.480 5.078 0 40 IKAB CC(C)c1ccccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2236648 BTDHYOACKRAFCK-UHFFFAOYSA-N 432.951 6.309 0 40 IKAB O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1)c1ccc(F)cc1 2317189 ZZMXRLJRCLXMKY-VWLOTQADSA-N 433.419 7.288 0 40 IKAB O=C(c1ccccc1)c1cc(C(=O)c2ccccc2)c(-c2ccccc2)nc1-c1ccccc1 3171834 LEVXACYCGIKDER-UHFFFAOYSA-N 439.514 6.878 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1 3230608 KCXNEQDYYZOSCD-UHFFFAOYSA-N 428.557 7.152 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)nc3ccccc23)c(OC)c1 3235481 AGZJBBFWJPAMPB-UHFFFAOYSA-N 434.495 6.325 0 40 IKAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1cc(Cl)cc(Cl)c1 3342229 QVPFTTWPWDLXCP-ZDUSSCGKSA-N 430.287 5.550 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2COC(=O)Nc2ccccc2OC)cc1 3367920 NWNYHEJOWUKPGH-UHFFFAOYSA-N 429.476 5.305 0 40 IKAB COc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc(-c2ccccc2)c1C 4195847 AMRWSYUMANDNRQ-UHFFFAOYSA-N 442.540 6.237 0 40 IKAB COc1ccc(-c2nc3ccccc3n2-c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1 4855403 ADXKFJFAJSDTQS-UHFFFAOYSA-N 428.576 7.002 0 40 IKAB Cc1cc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2cc1C 6320646 FOFRMYDFAKQJBQ-FQEVSTJZSA-N 447.648 5.915 0 40 IKAB Clc1ccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2-c2ccccc2)cc1 6474872 WKMUITVKQHGCDP-UHFFFAOYSA-N 446.790 7.187 0 40 IKAB CC(=O)N1CCc2cc(C(=O)[C@H](C)Sc3ncc(-c4ccccc4)n3C3CC3)ccc21 8725624 LYWVJGLPCAXIGK-INIZCTEOSA-N 431.561 5.158 0 40 IKAB Cc1csc(SCc2c(C(=O)Oc3ccc(-c4nnco4)cc3)oc3ccccc23)n1 8825539 WHUDIDMVABXNTA-UHFFFAOYSA-N 449.513 5.759 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 8831941 AJTFPANSQUEGST-UHFFFAOYSA-N 441.314 6.598 0 40 IKAB COc1c(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)cc2ccccc2c1Br 8832396 RTOGEBKGWRLTOC-IOAHRDFVSA-N 442.397 5.946 0 40 IKAB C[C@]1(C2CCCCC2)Cc2ccccc2-c2nc(SCCOc3ccccc3)[nH]c(=O)c21 8927602 CAEXUQRJYCOYCC-HHHXNRCGSA-N 446.616 6.002 0 40 IKAB COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](Nc3ccc(C)cc3)C[C@@H]2C)cc1OC 8997066 HWMNAYBHNOGHIA-CVDCTZTESA-N 430.548 5.913 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9158635 DBYKDXLWCPTVHU-WMZHIEFXSA-N 439.298 5.964 0 40 IKAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C 9265229 QKCVWTZFLFOBOW-QGZVFWFLSA-N 449.605 5.051 0 40 IKAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)c3nc4ccccc4s3)nc2c1C 9273505 PTMBBJYBMJMNME-UHFFFAOYSA-N 430.558 5.765 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)c(C)c3)n2-c2ccc(C)cc2)cc1 9308046 LVVKSUAOUHHCBT-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1cccc(-n2c(N)c(C(=O)NCCC3=CCCCC3)c3nc4ccccc4nc32)c1C 9308912 SLCIOUBLSLBCND-UHFFFAOYSA-N 439.563 5.393 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 9309920 OXRDWATYMRNBEQ-FAELENHSSA-N 440.897 5.600 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 9465111 PEWZJQRWZHEXDI-MRXNPFEDSA-N 449.507 5.574 0 40 IKAB CCc1ccc(NC(=O)N[C@@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1 9607536 FBEDXKIMYHOGNK-NRFANRHFSA-N 432.911 5.864 0 40 IKAB O=C(CSc1nnc(C2CC2)n1C1CC1)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 9815335 YTHSSKXSVCZWDJ-NRFANRHFSA-N 438.984 5.142 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)NC(=O)c4ccc5c(c4)OCO5)cc3)sc2c1 10003084 NBNFXDRZKWAHIV-UHFFFAOYSA-N 447.541 5.127 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 10060062 UHLNMROKNNIHIL-UHFFFAOYSA-N 432.520 5.906 0 40 IKAB C[C@@H](NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12)c1cccc(C(F)(F)F)c1 10237043 DSZDZSUXIBEOQU-CYBMUJFWSA-N 447.457 5.641 0 40 IKAB COc1ccc(-c2oc3ccc(OC)cc3c2C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 11866466 LHSRSWAFQCWDIB-UHFFFAOYSA-N 444.487 5.352 0 40 IKAB biogenic Cc1noc(C)c1Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4cc3N)C2)s1 12088077 CMFQOTGQOWKPQR-GOSISDBHSA-N 446.576 5.094 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3)C3CCCCC3)n2)cc1OC 12654046 MOJXQQGJMWFPAX-UHFFFAOYSA-N 436.512 5.121 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)c1 12789776 JTCWPIBJXTZXEC-UHFFFAOYSA-N 441.959 5.638 0 40 IKAB C[C@@H](SCc1nc(-c2cccs2)no1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 12868451 RVIMWJPMZXVZNT-SNVBAGLBSA-N 442.547 5.351 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)s2)cc1 12938642 CFLFJNVJQLWDHG-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB CN(Cc1ccccc1Cl)Cn1nc(-c2ccc(F)cc2)n(C[C@H]2CCCO2)c1=S 13073812 GWFKPZPZPWCFPZ-LJQANCHMSA-N 446.979 5.142 0 40 IKAB CCc1ccc(OCc2nnc(S[C@H]3CCCCC3=O)n2[C@@H](C)c2ccccc2)cc1 13121235 FCDYBSRFBNFXOQ-MBSDFSHPSA-N 435.593 5.633 0 40 IKAB O=c1c2cc(-c3ccccc3)sc2nc2n1CC/C2=C\c1ccc(Cl)cc1Cl 13129867 ZCMFBJYHFLEAKY-XNTDXEJSSA-N 425.340 6.376 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3Cl)n2CC)cc1 14070124 DWZPZGHFKUPTCH-UHFFFAOYSA-N 435.380 5.565 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1)c1cccc(OCc2ccccc2)c1 14269521 JAUQPMMXQFWHOB-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccccc1 15018877 KTOPHCMUDASVNG-UHFFFAOYSA-N 426.501 5.411 0 40 IKAB CCS(=O)(=O)c1cccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 15882504 VJEWBGCETDIXON-UHFFFAOYSA-N 436.558 5.318 0 40 IKAB COc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccc(F)cc1 16195556 PRDAECUQKNDNIF-UHFFFAOYSA-N 438.930 5.880 0 40 IKAB CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(OCCC(C)C)c(OCC)c1 16751119 YPIHILZJISDGLO-XMMPIXPASA-N 449.547 5.572 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccs2)cc1 17098759 CVTWGNNFIPYJGN-UHFFFAOYSA-N 434.344 6.079 0 40 IKAB CC1CCN(c2ccc(NC(=O)COc3ccc(Br)cc3)cc2Cl)CC1 17101708 XKOCKHAODGOEKN-UHFFFAOYSA-N 437.765 5.356 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)cc1OC 17103061 FLKZYESROOKEOW-UHFFFAOYSA-N 439.320 5.152 0 40 IKAB O=C(COc1cccc2ccc(N3CCCCC3)nc12)Nc1cccc(C(F)(F)F)c1 17170644 OIIGSSDYNUYURN-UHFFFAOYSA-N 429.442 5.261 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4Cl)cc3n2)cc1 19646739 QPBLJEYTAWZEOZ-UHFFFAOYSA-N 447.970 5.789 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(OC)ccc4OC)CC3)c2)cc1 19691125 QHQHEJBCUDWJPF-UHFFFAOYSA-N 446.547 5.103 0 40 IKAB CN(C)c1ncc(-c2ccc(C(F)(F)F)cc2)c(C2CCN(C(=O)C3CCCC3)CC2)n1 19695255 KZEOCIQEKQZADN-UHFFFAOYSA-N 446.517 5.125 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(Cl)cc3Cl)=NC23CCC(C)CC3)cc1 20152266 XAZWLXJQRDMGEB-UHFFFAOYSA-N 445.415 6.481 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OC 20456618 BBECYMVNTBRLNR-KRWDZBQOSA-N 439.602 6.115 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1Cc1ccccc1)c1nc(C(C)(C)C)no1 23904876 FQUVCSVCBRFYCH-AWEZNQCLSA-N 425.583 5.589 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CC(C)(C)CC(=O)Nc1cc(Cl)ccc1OC 24758570 GBDADBFNUDBGSR-UHFFFAOYSA-N 439.339 5.394 0 40 IKAB COC(=O)c1c(-c2cccs2)csc1NC(=O)CCCOc1cc(C)ccc1C 28540246 PBEPZTASBXWWFB-UHFFFAOYSA-N 429.563 5.678 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)cc1 32115514 QHPYZLZYMBHWDT-UHFFFAOYSA-N 440.877 6.976 0 40 IKAB COc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 33654472 UCQPKUIMSUREMS-UHFFFAOYSA-N 434.399 5.507 0 40 IKAB CCc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621697 SVUSTFPMOCSVRR-UHFFFAOYSA-N 432.474 5.699 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC=CC[C@@H]2c2nc3ccccc3s2)c(C)c1 37170589 SRFSWTHEYUURMI-MOPGFXCFSA-N 433.577 5.026 0 40 IKAB CCN(CC)Cc1ccc(NC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 39757261 HJKLJDFXGCSPTR-UHFFFAOYSA-N 431.983 5.172 0 40 IKAB CC[C@@H](NC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1)c1nc(-c2ccccc2)c[nH]1 48354606 OUBZWBDGDWXLAW-DOJUMQAQSA-N 425.916 5.028 0 40 IKAB Cc1ccc(C)c(OCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)c1 59109298 ZHNCRFVVWCHRNQ-UHFFFAOYSA-N 436.602 5.852 0 40 IKAB Cc1c(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)oc2ccc(Cl)cc12 69771160 SJPOBVZVGMIOQC-UHFFFAOYSA-N 429.259 6.146 0 40 IKAB COc1ccc(OC)c2c1cc(C(=O)Nc1ccc(Oc3cccc4[nH]ccc34)nc1)n2C 72405228 FZXMXDKACNELNE-UHFFFAOYSA-N 442.475 5.116 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1sc2ccccc2c1Cl 90500375 JVACQDQYPBDODF-UHFFFAOYSA-N 441.961 6.712 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Nc1ccccc1Cc1nc(-c2cccnc2)no1 96102977 VZRULPPCXZBQAK-UHFFFAOYSA-N 435.871 5.028 0 40 IKAB COc1ccc(/C=C2/N=C(SCc3ccc(F)cc3)N(c3cc(C)cc(C)c3)C2=O)cc1 96481840 IVPMSRNZSGKMKK-BUVRLJJBSA-N 446.547 6.128 0 40 IKAB CCCCCNC(=O)OC[C@@]12CO[C@H](c3ccc4c(c3)OCO4)[C@H](C(C)=C[C@@H]1C)[C@H]2C 100741378 BTQCHPRUVKAYMZ-CSDNAFPUSA-N 429.557 5.238 0 40 IKAB CC1=C(C(=O)Nc2cccc(C)n2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3ccco3)CC2=N1 102625309 DATGARPAGHMVFF-MHECFPHRSA-N 440.503 5.219 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3Cl)[C@H]2C(=O)N1c1ccc(Cl)cc1 102736700 QDBHHIFPYJLHRN-HKBOAZHASA-N 439.298 5.045 0 40 IKAB Cc1ccccc1N1C(=O)[C@@H]2ON(c3ccccc3)[C@H](c3ccc(C(C)(C)C)cc3)[C@H]2C1=O 102749028 LNTRJTHXPKASLK-UBFVSLLYSA-N 440.543 5.344 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1ccc(C(F)(F)F)cc1)[C@@H]2O 118916270 QUYCEUJYTAJEMW-JMHRPJEZSA-N 448.569 6.463 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4C[C@@](Cl)(N=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118928561 YUFHRWHHAMPWQY-RJVRFGKZSA-N 436.124 8.809 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](C(=O)C[C@H](O)C(F)F)CC[C@H]4[C@@H]3CC[C@@H]2C1 118935214 ITDMQPFKAISKOA-DDYGDYNNSA-N 440.571 5.162 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)/C(=C/c1ccccc1F)NC(=O)c1ccccc1 215701858 NTCCIINONWFYFH-ZHZULCJRSA-N 444.384 5.134 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)S1 222624958 LTXHGWZFKUHNND-KPOBHBOGSA-N 439.382 5.224 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc12 222679024 YEJRZJUGMPSVOD-INIZCTEOSA-N 443.374 5.243 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1C(C)(C)C 224171779 LHMNQVSXMLAGBF-UHFFFAOYSA-N 447.531 5.595 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224216230 QWPFVCSAEGMZOW-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1NC(=O)C(C)C 224220579 HXRJRTPCGAUOIK-MRXNPFEDSA-N 448.654 5.340 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1cccc2ccccc12 224630333 FPSMELVRLAQWFP-UHFFFAOYSA-N 447.534 7.223 0 40 IKAB S=C(Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)NC1CCCCCC1 226010829 UYEOEDQRINSTKF-UHFFFAOYSA-N 434.565 6.070 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC[C@@H](OC(=O)c5ccccc5)[C@@]4(C)CC[C@@H]32)C1 253505358 JVRUDYNTKOCRNP-BIBNKPHBSA-N 436.592 6.107 0 40 IKAB COc1ccccc1-c1cccc(CC2(C(=O)NCCc3ccccc3)CCOCC2)c1 257293133 QOHAIWQRYUUDPF-UHFFFAOYSA-N 429.560 5.060 0 40 IKAB CC(C)[C@@H]1O[C@@H]2c3cc(CC(=O)O)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccc(Cl)cc1 257298317 RLEMMWAQSJXRNA-SFTZYOPASA-N 428.956 6.024 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1F 408558810 WAZQKVSMDHOLTO-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(F)cc1 408561535 JHKOPRLDQGQSOZ-FLFQWRMESA-N 447.373 5.832 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(F)cc1 408564563 ZOXLXVMQDIQBDF-BZZOAKBMSA-N 428.529 5.086 0 40 IKAB Clc1ccc(NCc2cccc(OCc3ccc(Br)cc3)c2)c(Cl)c1 408610585 QIOZDXYNEPTNFC-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408619578 JLMMHEHGXLQWRP-UHFFFAOYSA-N 443.717 6.388 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)cc1 408639614 GCDIEBBWZMZURK-OAQYLSRUSA-N 442.559 6.211 0 40 IKAB Cc1ccc(S(=O)(=O)[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2Cl)cc1 408684732 NVQCVPLHWXDQQM-QFIPXVFZSA-N 433.356 6.090 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1cccc(Cl)c1 408698930 TXKSEHOCDPAOLS-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(Br)c3)nn2-c2ccccc2C)cc1 408723922 ALVOGZHHPMCYQK-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(C)cc2)cc1 408724175 HAOPIDKQUALSEJ-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 409122180 YGSXXQSTZIZXHN-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CCCc1ccccc1 409133077 QMZBEXFIHRETDJ-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccc1 409189395 KLVLXGAILHRDLI-UHFFFAOYSA-N 426.335 6.313 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2-c2ccccc2)c1 409347490 QAIAYWHVIYYPCZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(/C=C/c1cccnc1)N1CCC[C@@H](c2cc3ccccc3c(Nc3nccs3)n2)C1 585293517 YMHLJMZZEBVEKL-SQUSKLHYSA-N 441.560 5.249 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)cc1Cl 851896 VRAMPBNPQHQIRV-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 865629 YCRMEZZFHQVJSC-IAGOWNOFSA-N 448.876 6.012 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cc(C)cc(C)c2)cc1 888275 URCJKGQELJRCNJ-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB Cc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 969897 UGBBWRMDBUNWAC-DNQXCXABSA-N 444.897 5.592 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3cccc(OC)c3)c3cc(C)ccc3n2)cc1 993186 NEEXGMWBGUSTSL-UHFFFAOYSA-N 441.483 5.267 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccccn2)n1Cc1ccccc1 1362430 MBFNTDBSZUXLHW-LJQANCHMSA-N 443.576 5.125 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)cc12 1371644 KEEJESOIXDBQQL-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 1945625 QVTFNMXJVHQWOW-GOSISDBHSA-N 441.637 6.626 0 40 IKAB CCOc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(C)cc3)CC4=O)nc(C)c2c1 2194290 NLVMFSUPGGVACN-SFHVURJKSA-N 439.519 5.092 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2ccc(Cl)cc2)cc1Cl 2246747 PIFNZTJYTNSHDK-UHFFFAOYSA-N 440.282 6.232 0 40 IKAB CC(C)(C)c1ccc(-c2nc3nc4ccccc4nc3n2Cc2ccc(Cl)cc2)cc1 2253899 KJJGAPLRHHPJEO-UHFFFAOYSA-N 426.951 6.646 0 40 IKAB Cc1ccc(OC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c(-n2nc3ccccc3n2)c1 2591027 SEESLNDKNCTWOB-UHFFFAOYSA-N 441.575 6.543 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)NCc1ccc(F)cc1 2660452 YCSUQIMJURKPMU-NTCAYCPXSA-N 437.474 5.754 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCCO5)cc1 2690321 QWKGRUPDWWMCFZ-UHFFFAOYSA-N 425.463 5.470 0 40 IKAB O=C1c2ccc(-c3nc4ccccc4c(=O)o3)cc2C(=O)N1c1ccccc1-c1ccccc1 3144060 RGHZRDXRUYESKW-UHFFFAOYSA-N 444.446 5.323 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1F 3296106 JKSPDXXKPXTXON-UHFFFAOYSA-N 431.385 5.615 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)[C@@H](NC1CCCCCCC1)c1ccccc1 3325157 GUCFCNIKKNULPZ-NRFANRHFSA-N 438.921 6.741 0 40 IKAB CC[C@@H](C)NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C(F)(F)F)oc2c1C 3361628 WYEUQFSRRVOQQE-CYBMUJFWSA-N 433.426 5.081 0 40 IKAB COc1cc2c(cc1NC(=O)CN(C)Cc1ccc(C(F)(F)F)cc1)oc1ccccc12 3390059 GFXGNEDZXQSBFU-UHFFFAOYSA-N 442.437 5.684 0 40 IKAB CCc1ccc(NC2=C[C@H](c3ccc(C(C)(C)C)cc3)N(c3ccc(CC)cc3)C2=O)cc1 3670066 XVYDULKZBDZJAA-MUUNZHRXSA-N 438.615 7.193 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@@H]1CCC2=O 4082308 ZYGWUUXTYQHKMO-JJAANBCZSA-N 427.629 5.306 0 40 IKAB biogenic Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)c1 4122959 KZAZWYVSCMMHTN-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB C[C@H]1CC[C@@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C 4429039 FSLPMRQHCOLESF-KVSOSNODSA-N 426.729 8.025 0 40 IKAB O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc2cc(Cl)ccc2oc1=O 6006851 GPFYVQKYPVISDP-UHFFFAOYSA-N 440.952 5.623 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(F)c(Cl)c1)c1cccs1 6142860 CWBGXJWVTQMNJG-UHFFFAOYSA-N 434.905 5.028 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2Cl)CN1c1ccccc1F 8753233 DYWSNECLBJWXTD-KRWDZBQOSA-N 449.913 5.428 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C(c3ccccc3)c3ccccc3)c2C(N)=O)C1 8832441 PJNATCIGOOURCG-LJQANCHMSA-N 446.616 5.769 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1)c1ccc(Cl)cc1 8892315 GHAZCVVTZWZHGN-UHFFFAOYSA-N 438.358 5.754 0 40 IKAB CCCOc1cccc(/C=C2/S[C@H](c3ccc(C)cc3)N(c3ccc(OC)cc3)C2=O)c1 8916535 JWFXRAUKUYVIFO-NTWBUQQASA-N 445.584 6.612 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nc(-c3ccccc3)c2C)cc1 9435064 IJIVPMDDECOTLO-UHFFFAOYSA-N 447.535 5.726 0 40 IKAB Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)c2cccs2)cc1 9445934 DJXRTIASXQTODB-UHFFFAOYSA-N 437.517 5.302 0 40 IKAB Nc1nc2n(n1)[C@@H](c1c(Cl)cccc1Cl)C[C@H](c1ccc(Cl)cc1Cl)N2 9805327 HEDRGVJCZWTCTD-ZIAGYGMSSA-N 429.138 5.620 0 40 IKAB C[C@]1(c2ccc3ccccc3c2)NC(=O)N(Cc2ncc(-c3ccc(Cl)cc3)o2)C1=O 11379100 YBMBEQGVMRIHAY-XMMPIXPASA-N 431.879 5.115 0 40 IKAB Cc1cc2oc(C(=O)Nc3nonc3-c3ccc(OC(C)C)cc3)c(C)c2cc1Cl 11913973 AZYGPBZGPWVSPA-UHFFFAOYSA-N 425.872 5.793 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OCC)c2O[C@@H]3c2cccc(F)c2)cc1 12195949 RQZYOSJDZGDWNG-JYFHCDHNSA-N 432.495 5.865 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C(=O)NC4CC4)c4ccc(F)cc4)o3)cc2C1 12478506 ZYSIRNVKVBSYGN-HXPMCKFVSA-N 443.569 5.174 0 40 IKAB CC(=O)c1sc(NC(=O)COc2ccc(Oc3ccccn3)cc2)nc1-c1ccccc1 12521800 BRMVTKRHVKMNAO-UHFFFAOYSA-N 445.500 5.218 0 40 IKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc2[nH]c3ccccc3n12 12565402 GKUNNVXAJJAXEM-UHFFFAOYSA-N 426.498 5.033 0 40 IKAB CCOc1c(Br)cc(C(=O)N2CC[C@@H](C)Sc3ccccc32)cc1OC 12933535 GWTLYZZEGUWSOK-CYBMUJFWSA-N 436.371 5.388 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 13708418 HBWFAHBDYPTXOT-HNNXBMFYSA-N 434.388 5.964 0 40 IKAB COC(=O)c1ccc(OCc2ccc(C(=O)NC3CCCCCCCCCCC3)o2)cc1 13960306 OXHPHGBSNUJFLD-UHFFFAOYSA-N 441.568 6.048 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 16227060 UJKKLPROTVDOIQ-UHFFFAOYSA-N 436.851 5.706 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)cc4C)c3)nc2c1 16610729 LZMXQWAPVGBTGR-SFHVURJKSA-N 428.532 6.643 0 40 IKAB COc1ccc(NC(=O)[C@H](C)Sc2ncc(-c3cccc(Br)c3)o2)cc1 16841941 WCSCBQPOXQVFGE-LBPRGKRZSA-N 433.327 5.232 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3cccc(C(=O)O)c3C)o2)cc1Cl 17096194 ATHSDKWJFITSRE-UHFFFAOYSA-N 428.897 5.042 0 40 IKAB Cc1cc(C)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)c1 17246922 SALYCPRAXJOHDV-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB Cc1ccccc1CN1CC[C@H]2[C@@H](C1)[C@H](c1ccsc1)CN2C(=O)c1ccc(F)cc1 19237254 WJOTYKPKMSUOEA-SDHOMARFSA-N 434.580 5.326 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)c1cccc(OCc2ccccc2)c1 19647142 LZKUAOADUZMJJH-UHFFFAOYSA-N 448.478 5.319 0 40 IKAB Fc1ccc2[nH]c3c(N4CCN(C(c5ccccc5)c5ccccc5)CC4)ncnc3c2c1 20024977 QIUFDZIGGVDUFO-UHFFFAOYSA-N 437.522 5.162 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C)cc1 20487492 RZFJRQLFSKUETF-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 20571200 IERKBHBWUNEFGV-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Br)o4)cc3n2)cc1 20610563 ZVBIHVUTYYLVFV-UHFFFAOYSA-N 425.286 5.152 0 40 IKAB Cc1sc2nc([C@H](C)SCC(=O)N[C@H](C)c3cc4ccccc4o3)[nH]c(=O)c2c1C 25068818 ZWGVGTKPGKUYFD-OCCSQVGLSA-N 441.578 5.019 0 40 IKAB COc1ccccc1C(=O)NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27742234 RPUJAKAWFOOSPM-FQEVSTJZSA-N 449.348 5.501 0 40 IKAB CCN(C(=O)COc1ccc(Cl)cc1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993154 COSZDQGRKRMTTO-SANMLTNESA-N 432.951 6.147 0 40 IKAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 28697010 PBCBFUPUFKZKJJ-VIFPVBQESA-N 442.755 5.013 0 40 IKAB CN(Cc1nc2ccccc2s1)C(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 29604573 NJEJFKINHXEKMF-UHFFFAOYSA-N 447.507 5.640 0 40 IKAB O=C(c1ccc2c(ccn2Cc2ccccc2)c1)N1CCC(O)(c2ccc(Cl)cc2)CC1 32091270 PPDLHFQJKLGEGO-UHFFFAOYSA-N 444.962 5.467 0 40 IKAB O=C(Nc1nccs1)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCCC2 32095239 TZJCAPTUMKRFOL-OAQYLSRUSA-N 431.561 5.224 0 40 IKAB Cc1cccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3cc(C)ccc3n2)c1 33026497 CXPYSMFVFMAYFD-UHFFFAOYSA-N 430.533 5.248 0 40 IKAB COc1c(Br)cc(CNc2ccc(Cl)cc2Cl)cc1Br 35018447 SKGJGUFIUSKOHH-UHFFFAOYSA-N 439.962 6.139 0 40 IKAB COc1ccc(-c2nc3c(-c4ccc(Cl)cc4)cnn3c3c2CCCCCC3)cc1OC 35324312 DIDXOLQDAXLJPB-UHFFFAOYSA-N 447.966 6.393 0 40 IKAB Cc1cccc2nc(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)c(Nc3ccccc3)n12 35606584 IPGQBKKHOIQAGO-UHFFFAOYSA-N 427.592 7.354 0 40 IKAB CCn1ncc2c(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc(-c3cccs3)nc21 36729585 ODCWZCOUIQREDQ-UHFFFAOYSA-N 442.928 5.103 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@H]2c2cccc(Br)c2)cc1 40485319 NGDFOJVPISAAEY-QFIPXVFZSA-N 434.333 5.810 0 40 IKAB COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C 72330430 BRZXNEAPIYYDAO-OFVILXPXSA-N 449.620 5.152 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2cccc(Cl)c2)o1 102725159 VQTOZUFFNGWSIU-RXVVDRJESA-N 443.728 6.246 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccccc2Cl)C1=O 106683932 NKHUPJMOVFEYJU-HMAPJEAMSA-N 437.948 6.519 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106724923 GQYFUFCHBCVJEX-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccccc3)cc2)C(=O)N1CCOc1ccccc1 106759529 XXVBOWGGZVABJK-QJOMJCCJSA-N 431.513 5.381 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccco3)cc2)c(C)c1 216409274 KAEIPMKSGKDGEM-BVZFJXPGSA-N 434.561 5.162 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc2c(c1)CCCC2 222975314 VVIUSKGFGQQFON-QGZVFWFLSA-N 445.434 5.962 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSCc1ccccc1 223067848 NYWLMARYYIOZPS-RBUKOAKNSA-N 447.044 5.295 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)N[C@H]1CC(C)(C)Oc2ccccc21 223206740 PACIXPBMVLYPRV-GYZZIOIESA-N 446.572 5.246 0 40 IKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223359725 CJVPBSQXQQAGBF-AREMUKBSSA-N 448.994 5.569 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223409067 XEAAKSRUZDLMLG-VWLOTQADSA-N 434.967 5.445 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223436445 PHXDQGVTTVNPTN-JWQCQUIFSA-N 441.556 5.523 0 40 IKAB COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Sc2ccccc2)c1 223841570 DZCPXWACJVUQJV-UHFFFAOYSA-N 433.938 5.079 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccccc2-c2ccccc2)c1 223940202 DLMRXZZATISWKX-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224071701 ALLCSNONMOBBAQ-HHHXNRCGSA-N 444.619 5.539 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cc(C)cc(C)c1 224194258 GTWYJDKZBUNSJJ-UHFFFAOYSA-N 429.438 6.162 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccccc1C(C)C 224236840 YVVXPIWBNJPPGD-SFHVURJKSA-N 437.967 6.542 0 40 IKAB COCCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224365299 QAGKRAHSXGCNKI-JWQCQUIFSA-N 448.636 5.447 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224410245 BWIIXZSNTGBEJG-VXKWHMMOSA-N 449.942 5.237 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(C(C)C)cc2)cc1 224768611 GULPNRINVJYYBM-BWAHOGKJSA-N 446.616 5.700 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C1CCCC1 224865652 NGDQMKWNSCEEKW-YADHBBJMSA-N 438.984 5.534 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)cc1 225153137 AIXAJXIVPCLTPQ-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)ccc1OC(C)C 225684823 PCOBRUFEOIYQTQ-UHFFFAOYSA-N 429.944 5.754 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc2c(ccc3ccccc32)o1 408608493 NHTCWBYJKWFBMP-UHFFFAOYSA-N 425.871 6.723 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408693723 CMFLGHDMLBLETE-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408695360 QDWBPPBXYRJQBH-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(F)cc2)cc1Cl 408699359 SZVXGWOOLHWFQT-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(C)c2)cc1 408700091 YTEADIQVYKFXSO-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(c2ccccc2)c2ccccc2)cc1C 408726605 CHEGHIWLEYMPOZ-LSGCGUROSA-N 431.535 5.727 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1CCc1ccccc1 409006394 JHBPNSCGLZEFCL-MOSHPQCFSA-N 444.339 6.532 0 40 IKAB COc1ccc2ccc(OC)c(/C=C3\SC(=O)N(c4ccccc4Cl)C3=O)c2c1 409056791 NVJHFAPTYGJHLW-NDENLUEZSA-N 425.893 5.751 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OCC)c2)cc1 409111274 BYNDSNOMPQMEKU-UHFFFAOYSA-N 446.374 6.982 0 40 IKAB CCCOc1c(I)cc(CNc2cccc(Cl)c2C)cc1OC 409120597 RBUJETXZGRGRBK-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3c(C)cccc3C)C2=O)cc1 409160485 YUABMCZBYHEVES-VJOZSWGJSA-N 438.549 5.156 0 40 IKAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1ccc(Cl)cc1Cl 409162560 FXTKTLXWCSSUSK-UHFFFAOYSA-N 443.359 5.673 0 40 IKAB Cn1c(-c2ccccc2)c(-c2ccccc2)s/c1=N\C(=O)c1ccc(Br)cc1 409196255 UXKIXPHTWMYWFH-BZZOAKBMSA-N 449.373 5.924 0 40 IKAB Cc1ccc(-c2n[nH]c(O)c2C(c2ccco2)c2c(-c3ccc(C)cc3)n[nH]c2O)cc1 409367780 KNWFBWXHOLSHBQ-UHFFFAOYSA-N 426.476 5.268 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CC[C@@H]1CCCO1 643582067 KCAQWSOYCBPKRR-ZEQRLZLVSA-N 436.596 5.394 0 40 IKAB C[C@@H]1CCc2nc3sc(C(=O)N4c5ccccc5Sc5ccccc54)c(N)c3cc2C1 688347 XUWINNIWKZZAGD-CQSZACIVSA-N 443.597 6.446 0 40 IKAB COc1ccccc1NC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1 879001 SXYQPYVPFAVWSI-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB COc1ccc(-c2oc3ncn4nc(-c5cccnc5)nc4c3c2-c2ccc(OC)cc2)cc1 917884 BUGDGAQVUUHCTA-UHFFFAOYSA-N 449.470 5.284 0 40 IKAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1 957185 DOXXQXLBFPSYMD-OVCLIPMQSA-N 435.907 5.423 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3C)nnc2-c2ccccc2O)cc1 1223786 NIOBFELBPIRAOZ-SFHVURJKSA-N 444.560 5.376 0 40 IKAB Cc1sc(NC(=O)c2ccccn2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1238237 JPQCCTNZZVSMLM-UHFFFAOYSA-N 434.565 5.091 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)o1 1333617 PXIMOOZAJZVGNI-HSZRJFAPSA-N 440.540 5.164 0 40 IKAB CSc1ccc(NC(=O)N(CCc2nc3ccccc3[nH]2)Cc2ccc(C)cc2)cc1 1360729 ULLXNMPPBDLUSB-UHFFFAOYSA-N 430.577 5.870 0 40 IKAB C[C@@H]1C(=O)N(Cc2c(Cl)cccc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381832 XXGRNUUWSFHCNV-OAHLLOKOSA-N 425.315 5.576 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cccc(Nc2ncc(C(F)(F)F)cc2Cl)n1 1401601 UGYYWBWTMVKCLA-UHFFFAOYSA-N 442.228 6.190 0 40 IKAB COc1ccc(-c2nc3ccccc3c(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 2103047 GTZPLUBKTGWSRC-UHFFFAOYSA-N 437.326 6.778 0 40 IKAB COc1cc(C(=O)N2CCc3ccccc32)cc(Br)c1OCc1ccccc1 2650601 FYJMVUCAWINAOU-UHFFFAOYSA-N 438.321 5.240 0 40 IKAB Fc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(F)cc3)c2Cl)cc1 2733280 CGOFTUIAERZXRC-UHFFFAOYSA-N 435.688 7.445 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(F)(F)F 3224836 YHMCXFHGGALRBU-UHFFFAOYSA-N 427.422 5.409 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2s1)Nc1ccc(Cl)cc1C(F)(F)F 3241894 LCVYRTHMPNZYHF-UHFFFAOYSA-N 437.295 6.353 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSc1ncnc2scc(-c3ccccc3)c12 3348070 UFMCXZAZIDBSRR-UHFFFAOYSA-N 433.602 6.486 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)COc3ccc(Cl)cc3Cl)n2)c1 3450414 RVAYLWWTLYPDCW-UHFFFAOYSA-N 439.320 5.152 0 40 IKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12 3655475 ZRSBOMPGUAGFPY-AWEZNQCLSA-N 437.854 5.862 0 40 IKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658750 OACRKUQJSHASPK-INIZCTEOSA-N 433.533 5.140 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc(CCC(=O)N2CCCC2)cc1 4783785 HUVSBVPVHJOISO-UHFFFAOYSA-N 426.560 5.402 0 40 IKAB Cc1ccc(Nc2c(-c3c(F)cccc3Cl)nc3ccc(Br)cn23)cc1 4793993 MYBINHQNECISOO-UHFFFAOYSA-N 430.708 6.608 0 40 IKAB Nc1cc2c(cc1Br)[C@@H]1c3ccccc3[C@H]2c2cc(Br)c(N)cc21 6475059 JDODGUUBJUQXKL-PMACEKPBSA-N 442.154 5.363 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12 6631525 ARMFDQWFVMAXFS-UHFFFAOYSA-N 429.545 5.735 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccnc2)c(F)c1 8710624 PLYIZYZVVLYDDY-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)cc1 8755899 PSYFXFXMXXMPNM-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)cc1 8984244 YDCRLAQQWBEVNA-SANMLTNESA-N 433.935 5.471 0 40 IKAB CCCCCNc1nc(SC)nc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 9161263 ZZZXOJUUGKSLLW-UHFFFAOYSA-N 444.670 6.538 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2-c2ccccc2)cc1 9308926 NYHCCZSDNDMRAU-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@H]1c1c(-c2ccccc2)[nH]c2ccccc12 9355414 VCYKYQXSFNQKGG-OLILMLBXSA-N 428.535 7.141 0 40 IKAB Cc1ccc(N(C(=O)c2ccccc2F)C2(C(=O)Nc3c(C)cccc3C)CCCC2)cc1 9425454 KGUVYHCSYJACLD-UHFFFAOYSA-N 444.550 6.349 0 40 IKAB O=C(CN1CCc2cc3c(cc2C1)OCCCO3)N1c2ccccc2Sc2ccccc21 9430178 ZNJLAOUOYICHSF-UHFFFAOYSA-N 444.556 5.036 0 40 IKAB Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@@H](c1cccc(Br)c1)O2 9453941 ANQNCBIYXZXRGW-RBBKRZOGSA-N 439.740 6.345 0 40 IKAB COC(=O)c1ccc([C@@H]2Oc3c(OC)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 9462380 UCNVAOVGCZIFHQ-QPPBQGQZSA-N 448.906 5.378 0 40 IKAB C[C@H](NC(=O)CSc1nnc([C@H](C)Oc2ccccc2F)o1)c1cc2ccccc2o1 9870501 DTHSDOZFCCBIAI-KBPBESRZSA-N 441.484 5.064 0 40 IKAB Cc1ccccc1-n1c(SCc2nc(-c3ccccc3)no2)nc2ccccc2c1=O 10316153 GPZXPOINDIYXFJ-UHFFFAOYSA-N 426.501 5.036 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cc(C)ccc4C)cc3C[C@@H]2C)cc1 10326576 GPWDSDSFXZTMIM-IBGZPJMESA-N 434.561 5.004 0 40 IKAB CN(Cc1ccc(Cl)cc1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 11258260 QESUFDSYQXIWLM-UHFFFAOYSA-N 438.314 5.983 0 40 IKAB O=C(Cc1cccc2ccccc12)N1CCN=C1SCc1ccc(Br)cc1 11757694 TZFFPXBQTHAJLS-UHFFFAOYSA-N 439.378 5.276 0 40 IKAB COc1cc2cc(C3=NN(C(=O)C(C)C)[C@H](c4ccccc4)C3)c(Cl)nc2cc1OC 12981290 AHAPMIXXOVRRQF-FQEVSTJZSA-N 437.927 5.239 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cccc(C(F)(F)F)c3)c2n1 13148689 GRQOQZIFTXOJCV-UHFFFAOYSA-N 429.225 5.886 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N(c1cccc(Cl)c1)S(C)(=O)=O 13712697 FSLSGNJPHLODCQ-QFIPXVFZSA-N 442.968 5.190 0 40 IKAB Cc1ccc(C)c(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 13936106 NZTCKPWMZCCFBG-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB Cc1ccc(-c2nn(Cc3cccc(C(F)(F)F)c3)c(-c3ccc(C)cc3)c2Cl)cc1 13960458 HMVRGMNCAGDMDE-UHFFFAOYSA-N 440.896 7.554 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccc(Cl)cc1Cl 14069804 IAJKYSABOZNFIR-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CCOc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)CC)C4)N2)cc(Cl)c1O 15946250 PGDJIJHLTGKWCX-RBZFPXEDSA-N 449.016 6.476 0 40 IKAB CCCCOc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)cc1 16044039 RIYZGVZKORHVKM-GJZGRUSLSA-N 438.351 5.595 0 40 IKAB NC(=O)c1c(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)sc2c1CCCC2 16385153 LOTWLSPHORZOIA-UHFFFAOYSA-N 435.332 5.545 0 40 IKAB O=C(NCCN(C(=O)Nc1ccccc1Cl)c1ccccc1)Nc1ccccc1Cl 16487796 FXCWZRJNAAISSD-UHFFFAOYSA-N 443.334 5.854 0 40 IKAB Cc1cccc(C)c1OCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 16776843 DGOYCDUBBISGKZ-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB Cc1cccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 17095623 IHVXYBILYNVUES-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@@H](c1ccc(O)cc1)Nc1ccccc1S2 17099238 ITFCLETXCQQVRB-HXUWFJFHSA-N 434.904 5.132 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc3ncccc23)C1)c1cccs1 19400737 LUCARIUSSHTQDA-NBGIEHNGSA-N 442.588 5.075 0 40 IKAB CCc1ccccc1Nc1cc(-c2cccnc2)nc(C2CCN(C3CCOCC3)CC2)n1 19523082 HYWYZZIQPJJQGS-UHFFFAOYSA-N 443.595 5.203 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccc3ncccc3c2)CCO1 19697684 ZCIQFQWSQRMYKS-QFIPXVFZSA-N 445.588 5.161 0 40 IKAB COc1cc(C)ccc1CN1[C@@H](c2ccc(C(F)(F)F)cc2)C[C@@H]2NC(=O)CCC[C@H]21 19713923 DQMAPICLLBWWJW-PWRODBHTSA-N 432.486 5.007 0 40 IKAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3cccc(C)c3)s1)=C2 19809953 JCUUJNDGLNVIQQ-UHFFFAOYSA-N 438.936 5.633 0 40 IKAB CCOc1ccccc1C(=O)N[C@H](c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 20189996 MLHJLNBAHGATML-OAQYLSRUSA-N 433.895 5.308 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Br)o4)ccc3o2)cc1 20411246 QRPCTFTWSAUALA-UHFFFAOYSA-N 425.282 6.226 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2cccc(Cl)c2)cc1 22275951 YHBMJIMTKLDWJD-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)N1CCC(c2nc3ccccc3o2)CC1 22678166 KQZJUHDKWDQEGD-UHFFFAOYSA-N 431.492 5.031 0 40 IKAB O=C(C1c2ccccc2Oc2ccccc21)N(C[C@H]1CCCO1)c1nc2ccccc2s1 22893924 MYASEOQRSYIKAD-QGZVFWFLSA-N 442.540 5.746 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1cnn(-c2ccc(F)cc2)c1C(F)(F)F 24839719 OCWHUJHHDJZMAB-UHFFFAOYSA-N 446.429 5.330 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 27015813 IFWQEPZBUQMECD-IMFGXOCKSA-N 435.326 5.154 0 40 IKAB CCc1ccc(C(=O)CSc2nnc(COc3ccccc3)n2-c2ccc(C)cc2)cc1 27525232 JKVGPWAVIVIJTH-UHFFFAOYSA-N 443.572 5.692 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc(Cl)ccc3Cl)sc2c1 32119100 GEZGKULBPDZNMT-UHFFFAOYSA-N 438.405 6.073 0 40 IKAB Cc1ccc([C@H]2CCCN2C(=O)[C@@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 32754125 OCLLONJAWHHPGH-ZEQKJWHPSA-N 426.560 5.364 0 40 IKAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(Sc4ccccc4)o3)C2=O)o1 33388464 QSTGHJFVQPOQAG-GZTJUZNOSA-N 441.486 5.047 0 40 IKAB CCC(C)(C)[C@@H]1C/C(=C/c2ccc(C(C)C)cc2)c2nc3ccccc3c(C(=O)O)c2C1 33694600 JOJHBZGMOGNJNH-PHCAOYFPSA-N 427.588 7.596 0 40 IKAB Cc1ccc(O)c(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1 35042926 KPOMPVQYUZPXJW-GRSHGNNSSA-N 445.327 6.350 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3cc(C)n(C4CCCC4)n3)c12 36616460 AAGWJOISPXPAEC-UHFFFAOYSA-N 440.551 5.479 0 40 IKAB CSc1cccc(N2C[C@H](C(=O)Nc3nc4c(ccc5ccccc54)s3)CC2=O)c1 40160001 RBLJQWDLOCCKPO-OAHLLOKOSA-N 433.558 5.163 0 40 IKAB COc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 40385069 NUHSRMVYZXOTTO-UHFFFAOYSA-N 435.915 5.137 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)c1 57317087 ZXNHUCJBJVYCOK-HNNXBMFYSA-N 428.326 5.816 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 59294102 LTDQRVUUUFQTKV-UHFFFAOYSA-N 429.520 5.983 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCCN1Cc1ccccc1 72215888 SCNSJQWOKIFVGL-VWLOTQADSA-N 443.591 6.882 0 40 IKAB Cc1c(C(=O)Nc2cc(Cl)c(OCC(F)(F)F)c(Cl)c2)cnn1-c1ccccn1 95447571 MQTYDDLOIUGHDL-UHFFFAOYSA-N 445.228 5.076 0 40 IKAB CC(C)Sc1ccc(CC(=O)Nc2ccccc2Cc2nc(-c3ccco3)no2)cc1 96119691 HWNHHHABWQSYFH-UHFFFAOYSA-N 433.533 5.602 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(/C=C2/N=C(c3ccc(C)c(C)c3)OC2=O)cs1 96935650 RRLQVBIFDGQIJI-WSDLNYQXSA-N 445.544 5.406 0 40 IKAB CCOc1cc(CNc2ccc(F)cc2)cc(Br)c1OCc1ccccc1F 107027395 VKCOEPBQHGUITF-UHFFFAOYSA-N 448.307 6.317 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1cccc(Cl)c1 107032314 GYRAYYLMYODDFY-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1 107833073 KTWBHRGSHVKYMC-UHFFFAOYSA-N 442.968 5.541 0 40 IKAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 139136933 FNLIJRIEXJLMKJ-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1cccc(OCc2ccccc2Cl)c1 219837505 ZPGQYXOFVSBFNF-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222985452 JGBBAFHIRJQOEU-VXKWHMMOSA-N 425.985 6.076 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223357812 LOWMNKVKUAWSMO-DNQXCXABSA-N 444.560 5.037 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223858380 KAAMVHWCYGJLHV-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n(-c2ccccc2)c1C 224187356 GMTULSXEGIPRFC-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)ccc1N(C)S(=O)(=O)c1ccccc1 224190080 HDVZHBQUQZWHQI-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)c1 224290140 AFSHNUVEFMYJMX-RPWUZVMVSA-N 425.561 5.061 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CCCCC1 224556281 LHSCNUMQAJZZKC-UHFFFAOYSA-N 426.460 5.025 0 40 IKAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(OCCSc2ccccc2)cc1 224622396 MEPMKFXQQPUGSA-UHFFFAOYSA-N 446.616 5.384 0 40 IKAB C[C@H]1CCC[C@@H](OC(=O)c2ccc(Br)c(-c3cc4ccccc4oc3=O)c2)C1 226357792 ALBBLMVTAYQRKN-WMLDXEAASA-N 441.321 5.958 0 40 IKAB CC(C)COc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257227067 FNMJCWBJVJXNOL-UHFFFAOYSA-N 444.506 6.138 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)CCc1ccccc1 257337826 YUODWCXLFQEJSH-OAQYLSRUSA-N 448.632 5.550 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(OCC)cc3)n2)cc1 408695887 UQGWWTFJNIEWOK-UHFFFAOYSA-N 446.482 5.123 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3cccc(Cl)c3C)n2)c1 408698702 ROBCKUNDPMVNLS-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB Cc1cc2c(cc1/C=C1\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C1=O)OCO2 408800371 OOFLGWQYBVUHQA-XNHXYUIGSA-N 435.569 5.778 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1ccc(Cl)cc1 409119696 QLBVRXWSQOWYLI-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CCOc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(Cl)c(Cl)c2)cc1 409121270 XSKXCWOROTXDBD-UHFFFAOYSA-N 437.352 5.012 0 40 IKAB CCN1C(=O)S[C@@H](Cc2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409145348 NVNAERKQVGJMAV-INIZCTEOSA-N 428.312 5.338 0 40 IKAB O=C(c1ccccc1Cl)N1CCCCCCCCN(C(=O)C2CC2)c2ccccc2C1 2037885097 YDOXANWTENQHRZ-UHFFFAOYSA-N 438.999 6.080 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccc(O)cc2)n1-c1ccccc1 886648 FUTUOMANNRWKBC-GOSISDBHSA-N 444.560 5.376 0 40 IKAB Cc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2c(=O)n1Cc1cccc(Cl)c1 930702 KRPMHUIQNNFEFE-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C)ccc3C)c3ccccc32)cc1 1320440 KJJXZVHYDJVDIN-NDEPHWFRSA-N 427.544 5.263 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1 1341601 RKYNUWMRKQMDJA-RUZDIDTESA-N 446.547 5.434 0 40 IKAB CCOc1ccc2nc(NC(=O)CSc3nc(C(C)C)nc4ccccc34)sc2c1 1342955 RSVJCLBHDMMRMO-UHFFFAOYSA-N 438.578 5.492 0 40 IKAB COc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Cl)cc4)c3[C@H]2c2ccc(O)cc2)cc1 1413272 NKRNOYORVPRFRL-HSZRJFAPSA-N 431.879 5.194 0 40 IKAB Cc1cc(I)ccc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1800523 BCXNZBOVYUCTAF-XVNBXDOJSA-N 432.088 5.558 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1ccc(Br)cc1 1904237 GWWRSXDFSVFEFH-UHFFFAOYSA-N 444.350 5.915 0 40 IKAB CCCCOC(=O)c1ccc(N2COc3ccc4c(CCCC)cc(=O)oc4c3C2)cc1 2118949 KQLUXIZDUUWEJJ-UHFFFAOYSA-N 435.520 5.449 0 40 IKAB biogenic Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(Cl)cc4Cl)cc3n2)cc1 2138407 ZDAIMWYTUNZWGQ-UXBLZVDNSA-N 437.330 5.996 0 40 IKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 2177493 MVOPESAGXIYHJG-OVVICAPSSA-N 436.382 7.111 0 40 IKAB CCCCc1nc2sc3c(NCCN(CC)CC)ncnc3c2c2c1COC(C)(C)C2 2275765 MOWQREIDRMXYDK-UHFFFAOYSA-N 441.645 5.187 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 2354477 DNOCEGSLBAMVAA-WBMJQRKESA-N 430.397 5.722 0 40 IKAB O=C(CSCC(=O)Nc1ccc2c(c1)oc1ccccc12)Nc1ccc2ccccc2c1 3178045 WTEUKHLEWRXAOL-UHFFFAOYSA-N 440.524 6.050 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccccc3)oc2N2CCc3ccccc3C2)cc1 3226577 CSFJIRWMFCYACJ-UHFFFAOYSA-N 430.529 5.046 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3231602 HFLWGLUNPKNNGH-UHFFFAOYSA-N 448.544 5.260 0 40 IKAB O=C(CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O)c1ccc(-c2ccccc2)cc1 3350006 PAQOFWHWPLPMJX-UHFFFAOYSA-N 446.506 5.032 0 40 IKAB O=C(COc1ccc(Br)cc1F)Nc1ccc(Cl)cc1C(F)(F)F 3447818 LLYCARGEJMPCKL-UHFFFAOYSA-N 426.591 5.278 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc([C@@H]4COc5ccccc5O4)n3C)cs2)cc1 3503858 UUHQBJNIRNOUGH-IBGZPJMESA-N 436.562 5.052 0 40 IKAB COc1ccc([C@@H](C(=O)Nc2ccc(C(C)C)cc2)N(C)C(=O)Cc2cccs2)cc1 3615594 BKBWNZKCBLFZRW-DEOSSOPVSA-N 436.577 5.261 0 40 IKAB O=C(CSc1nnc(CNc2ccc(Cl)cc2)n1-c1ccccc1)c1ccccc1 6446014 JEQOBCGXSRXSCE-UHFFFAOYSA-N 434.952 5.508 0 40 IKAB COc1ccc(CN(C)C(=O)Cc2coc3cc(C)c(C(C)C)cc23)c(OC)c1OC 6787844 UCPSNOFCVYYHKU-UHFFFAOYSA-N 425.525 5.092 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(=O)O)cc4)cc3c2C1 8439335 ZYJBKPQFTOMOSE-MRXNPFEDSA-N 441.549 5.473 0 40 IKAB CN(C)C1(c2nnnn2[C@@H](c2ccc(Cl)cc2)c2ccccc2Cl)CCCCC1 8751093 UZKVHHXLZVWXFE-FQEVSTJZSA-N 430.383 5.339 0 40 IKAB Clc1cc2c(c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)c1)OCOC2 8825752 YBJVSUNUSLCMID-UHFFFAOYSA-N 435.936 5.747 0 40 IKAB CCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OCC)cc4)=NN32)cc1 8837792 KMFYGZYUQZOHCZ-AHKZPQOWSA-N 428.532 6.116 0 40 IKAB COc1ccc(OC)c([C@H]2CC(c3ccc(C)cc3)=NN2C(=O)/C=C/c2ccccc2)c1 9068864 IAQXOEDBIGUBBL-XAJMEMKASA-N 426.516 5.403 0 40 IKAB CSc1nc2ccc3nc(NC(=O)c4ccc(Br)cc4)sc3c2s1 9404739 OIZKIOGQAMWMBT-UHFFFAOYSA-N 436.381 5.643 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3ccc(C)c(C)c3)cc2c1 9427768 WRIMSGDIHMFWPA-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCOc1cc(NC(=O)c2cc(C)cc(C)c2)c(OCC)cc1NC(=O)c1ccccc1 9613375 XIFCETVJAHIADG-UHFFFAOYSA-N 432.520 5.605 0 40 IKAB O=C(NCCSc1ncc(-c2ccc(Cl)cc2)[nH]1)c1ccc(Br)cc1 9713866 LJUQIQSFTLGNKW-UHFFFAOYSA-N 436.762 5.015 0 40 IKAB Cc1ccc(-n2c(Cc3cccc4ccccc34)nnc2S[C@H]2C[C@@H](C)OC2=O)c(C)c1 9871006 QASVENCJUYSPON-JPYJTQIMSA-N 443.572 5.424 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(-c3ccccc3)[nH]c3ccccc23)cc1 9970993 XHPFVIILHXXBQR-GDLZYMKVSA-N 444.534 6.589 0 40 IKAB Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4cc5c(s4)CCCC5)C3)cc2n1 12257767 YVJRQELTCVLZIN-OAHLLOKOSA-N 448.514 5.017 0 40 IKAB Cc1c(C(=O)N(C)c2ccccc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274515 MCRAVGQTAXAICN-UHFFFAOYSA-N 443.894 5.314 0 40 IKAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)c1cccc(Oc2ccccc2)c1 12564295 PTNHYJGAAPZHAA-UHFFFAOYSA-N 431.561 6.051 0 40 IKAB C[C@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 12781989 VSLYOKLCCCSMNH-LBPRGKRZSA-N 444.347 5.242 0 40 IKAB O[C@H](COCc1ccccc1)CSc1ncnc2scc(-c3ccc(F)cc3)c12 12784909 KXTUSTPAKGHQNP-GOSISDBHSA-N 426.538 5.167 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2cccc(Cl)c2)c2ccccc2)c1 12811182 XRROKZQWYKDQCT-OAQYLSRUSA-N 449.967 5.405 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)c4c(ccc(OC)c4OC)[C@@H]3c3[nH]c4ccccc4c32)cc1 12884760 KNHKMDWJHCJIQX-RXFWQSSRSA-N 438.527 5.438 0 40 IKAB biogenic O=C(OCc1cc(F)cc2c1OCOC2)[C@H]1CCCC[C@H]1c1nc2ccccc2s1 12897527 BETLMHMTFGZPQJ-MSOLQXFVSA-N 427.497 5.319 0 40 IKAB Cc1ccc(Cn2c(S[C@H](C)C(=O)N3[C@@H](C)CCC[C@@H]3C)nc3ccccc3c2=O)cc1 13128428 NYCDSYQGKJMODO-SLFFLAALSA-N 449.620 5.023 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCc1ccc(-c2ccccc2)cc1 13133811 GOFPIBVEVJNAIP-UHFFFAOYSA-N 429.519 7.234 0 40 IKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)/C=C/c3c(Cl)nc4sccn34)n2)cc1 13134653 HEGUOWKNCIHZHI-MMQHEFTJSA-N 442.997 6.338 0 40 IKAB CCC(=O)Nc1cc(NC(=O)CSc2nc3ccc(OC)cc3cc2CC)ccc1C 13503564 HVSOQIIMFZFSBZ-UHFFFAOYSA-N 437.565 5.194 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccccc1O 13691625 PUPIACIJHDNCLW-UHFFFAOYSA-N 442.500 5.117 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(C)ccc2OC32CCN(Cc3ccccc3)CC2)cc1 13788065 LUGXZEVPDSZPSI-HHHXNRCGSA-N 437.587 5.839 0 40 IKAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 13936080 WBPKQQJBUAJVBN-UHFFFAOYSA-N 435.933 5.089 0 40 IKAB Cc1csc(N(C(=O)COc2ccc(OCc3ccccc3)cc2)c2ccccc2)n1 14067082 KEWJNPJPGQLFCS-UHFFFAOYSA-N 430.529 5.774 0 40 IKAB COc1cc2c(cc1NC(=O)c1cccc(OCc3c(C)noc3C)c1)oc1ccccc12 15081020 BSKVVMLVMKXFKC-UHFFFAOYSA-N 442.471 6.031 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 15412389 TTYJZAAAGHKGGM-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB O=C(NC(=S)Nc1ccccc1N1CCCCC1)c1cccc(OCc2ccccc2)c1 16480687 KFRTWUTXMZMPBF-UHFFFAOYSA-N 445.588 5.383 0 40 IKAB COc1ccc(NC(=O)CCc2csc3nc(-c4ccc(Cl)cc4)cn23)c(OC)c1 16848908 YOJZAOKSBYYUPA-UHFFFAOYSA-N 441.940 5.305 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 17097665 PTNOXXPDJHEXOH-UHFFFAOYSA-N 431.586 6.015 0 40 IKAB Cc1c(C(=O)N2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)oc2ccccc12 19689651 MBHVXOPSZYMKJK-NRFANRHFSA-N 444.510 5.381 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 20046944 BRILYPQXWHVCBH-LJQANCHMSA-N 448.588 5.638 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc(O[C@H](C)CC)c3)sc2c1 20411514 UZJSLVYRFDLTRL-OAHLLOKOSA-N 426.538 5.683 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(Cc1cccc(C(F)(F)F)c1)CO3 20609964 NHQCIJBYTGSLSD-UHFFFAOYSA-N 437.417 5.831 0 40 IKAB biogenic CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1Cl 22530144 HZNXEZJRPGNZMS-UHFFFAOYSA-N 448.950 5.722 0 40 IKAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2cccc(OC)c2)cc1 23467625 UBIGFUYKEHRJFW-PNHLSOANSA-N 434.879 5.588 0 40 IKAB CC[C@H]1CCCCN1C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 25586048 NMNHSZRPCOBOLX-BGWNEDDSSA-N 433.548 5.100 0 40 IKAB O=C(CSc1ncnc2ccsc12)N1CCc2sccc2[C@@H]1c1cccs1 29535970 UCKMSXFOLDMVGK-QGZVFWFLSA-N 429.617 5.081 0 40 IKAB Cc1ccc(-n2c(S[C@@H](C)c3nc(-c4ccco4)no3)nnc2-c2ccccc2F)cc1 29738468 FPTZJHRWTBQRTH-HNNXBMFYSA-N 447.495 5.878 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1ccccc1C(F)(F)F 32106286 OKHOJKCULZWJJV-MRXNPFEDSA-N 432.377 5.188 0 40 IKAB c1ccc(C[C@@H](NCc2cn(-c3ccccc3)nc2-c2ccncc2)c2ccccc2)cc1 32740426 NBVZMKCIRQMPLU-MUUNZHRXSA-N 430.555 6.008 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)OCCc1cc2cc(Br)ccc2o1 32925549 BLNAAOYJBLHRJF-UHFFFAOYSA-N 443.322 5.042 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3cccc(Cl)c3)n2-c2ccccc2C)cc1 44086794 CLQUQDXPJSAPCG-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CC(C)(C)O2 44855279 SIKJKYXOZMGNLB-AREMUKBSSA-N 440.587 5.586 0 40 IKAB C[C@H](Nc1ccc(NC(=O)[C@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 65577401 KYSCZITWDIWJOI-FDDCHVKYSA-N 431.561 5.014 0 40 IKAB COc1cccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2C)c1 67341685 IBURELQTIJLFBP-UHFFFAOYSA-N 427.327 5.137 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(OCc2ccccc2)c(C(=O)OCc2ccccc2)c1 77272666 DAZFYKGBHMONBD-UHFFFAOYSA-N 433.504 5.970 0 40 IKAB in-vitro CCN(CC)c1ccc(/N=N/c2ncc(Br)cc2Br)c(O)c1 96332146 IZWNVESNWHXBBU-FMQUCBEESA-N 428.128 5.574 0 40 IKAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cc(Br)cc(C(F)(F)F)c1 98071669 FJFQMVMTZYRNDE-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB CC1(C)C[C@@H](NC(=O)COc2ccc(C(C)(C)C)cc2Br)c2ccccc2O1 218884930 SKLUDQUPKKDGHO-GOSISDBHSA-N 446.385 5.544 0 40 IKAB O=C(COc1ccc(I)cc1)Nc1ccc(Oc2ccccc2)cc1 219830723 ZOPIEETXGKUXMA-UHFFFAOYSA-N 445.256 5.101 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@@H](C)C(=O)NC(C)(C)C 222708078 PQCJVWUJQRFFSS-NRFANRHFSA-N 430.592 5.413 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCSc1ccc(Cl)cc1 223679263 XQJLNQPTLMMSLS-GOSISDBHSA-N 433.017 5.074 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 223717238 YVBFUVDQXHHWSX-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224005992 OEZWOEQONBSSRI-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccccc1 224212125 ISQPJUWTIBGPNO-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224284057 ZXTKLCZBJBFKKN-QFIPXVFZSA-N 445.028 5.298 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1Cc1ccco1 224392915 QFYQPFUHESOCTM-RPWUZVMVSA-N 446.551 5.457 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1nccs1 224423167 UVURWDIITLLDRZ-RTWAWAEBSA-N 449.580 5.262 0 40 IKAB O=C(NCc1cccc(CN2CCCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 224591736 VQNQHZQESBLMGW-XIEYBQDHSA-N 430.979 5.793 0 40 IKAB CCN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628451 DCLZNHJKTOPQAS-UHFFFAOYSA-N 429.152 5.524 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224644926 KHHTTYIBLRRZKI-OAQYLSRUSA-N 438.637 5.343 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 224700214 LAUMMNYKGXUYFS-FQEVSTJZSA-N 446.566 5.388 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225742167 MQFVIPBIOGRSAB-HSZRJFAPSA-N 446.676 5.993 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccco1)N2 226484823 XYAHVIMQWBBBKK-ODYMNIRHSA-N 448.420 5.257 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cn5ccc(C)cc5n4)C3)c2)cc1 257213133 CGHKTJSKWZAMMK-NRFANRHFSA-N 440.547 5.042 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)CC1)C1(c2ccccc2F)CCOCC1 257238089 HJNGOIDOZMKLAT-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB O=C(c1cccnc1-c1cncs1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257261990 LJOPMLXABZBNTJ-FQEVSTJZSA-N 430.533 5.151 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)cc1 257313131 URDVTVOEVVVMIN-NRFANRHFSA-N 431.511 5.174 0 40 IKAB CSc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 408547250 XPGFYNSLTAFTMO-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)cc1 408573774 KLAFEAKSXPLPEA-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Cc1nc(-c2ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc2)c(C)s1 408579359 GDVYAXZNKRMTQK-UHFFFAOYSA-N 427.525 6.134 0 40 IKAB CCn1c(COc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc(C)cc1C 408594501 HNLVTENRGODEMT-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCOc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 408645823 MEXVUHFGVOZAJS-UHFFFAOYSA-N 444.462 5.235 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccc(OCC)cc1 408832064 PUIZDXCAUTWIQY-UHFFFAOYSA-N 445.382 6.176 0 40 IKAB CCn1c(COc2cc(C)ccc2C(C)C)nnc1SCC(=O)N[C@H]1CCCC[C@@H]1C 409158745 YUQDWZCFVSHUTF-ICSRJNTNSA-N 444.645 5.096 0 40 IKAB O=C(CCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 409174751 UOYSJJZCLDFFKW-UHFFFAOYSA-N 449.359 5.366 0 40 IKAB COc1ccc(C(=O)n2nc(Nc3ccccc3OC)cc2Nc2ccccc2OC)cc1 575443005 MXRLCELGPCFAHY-UHFFFAOYSA-N 444.491 5.085 0 40 IKAB CN(Cc1ccccc1)[C@H]1CC[C@H](N(Cc2ccccc2)Cc2ccc(Cl)cc2)[C@H]1O 585263555 JVYNBRIMELPFKE-QKDODKLFSA-N 435.011 5.366 0 40 IKAB Cc1ccc(CC(=O)N2Cc3ccccc3NCc3ccccc3OC[C@@H]2CC(C)C)cc1 643582044 JMINQMKZZXFNDY-SANMLTNESA-N 442.603 5.986 0 40 IKAB COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@H]2CCCN3CCCC[C@H]23)C(C)C)cc1 1565519843 JNOSKHWMPVDLKQ-QLBJFCOMSA-N 427.633 5.078 0 40 IKAB biogenic Cc1cccc(NC(=O)c2c(NC(=O)c3ccncc3)sc3c2CC[C@@H](C(C)(C)C)C3)c1 644017 XMNDNTBEKZJTFJ-GOSISDBHSA-N 447.604 6.107 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccsc1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1333674 FQFXGOIBBNINQP-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB aggregator COc1ccc(NC(=O)Oc2ccc(Cc3ncc(C(F)(F)F)cc3Cl)cc2)cc1 1389727 KJYJFLGYUBQFBV-UHFFFAOYSA-N 436.817 5.964 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)NC(c2ccccc2)c2ccccc2)cc1OC 1799565 XTPPNQXTBMFGKE-HTXNQAPBSA-N 429.560 6.183 0 40 IKAB CCOc1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3c(C)cc(C)cc23)cc1 2079748 UTEVDBVEHDNPFM-UHFFFAOYSA-N 444.962 7.131 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CC[C@H](C)C2 2087472 UBQLZMRNSSWRHG-INIZCTEOSA-N 437.561 5.609 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccco1)c1ccccc1OC)Cc1ccc(OC)c(OC)c1 2134473 UGYXBAYSSOBRDN-OAQYLSRUSA-N 437.536 5.266 0 40 IKAB biogenic CSc1nc(N2CCCCC2)c2sc3nc(C(C)C)c4c(c3c2n1)CC(C)(C)OC4 2195382 DNTQVKAAYFNOJD-UHFFFAOYSA-N 442.654 5.926 0 40 IKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc3c(c2)Cc2ccccc2-3)cs1 2262089 MVPLPACXVWFGKJ-UHFFFAOYSA-N 427.912 6.808 0 40 IKAB CC(C)c1ccc(Nc2nc(Nc3ccc(C(C)C)cc3)nc(N3CCCCCC3)n2)cc1 2317359 YACURXYKOZKQRI-UHFFFAOYSA-N 444.627 6.986 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2cc(C)cc(C)c2C)cc1 2329469 SSBUZXAKHDQKGZ-UHFFFAOYSA-N 428.532 5.466 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2c(C)ccc(C)c2C)cc1 2395682 ZDJFMDFOAKHQRZ-UHFFFAOYSA-N 442.559 5.857 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(Cl)cc2)N1c1nccs1 2422577 MSJVRSSJTIUQDQ-INIZCTEOSA-N 429.284 5.306 0 40 IKAB CCOc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Br)s2)cc1 2727604 JUZWREMKKJGMPO-HNNXBMFYSA-N 429.430 5.354 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1cccs1)N2 2753374 XGQRJHNDABGZGI-APWZRJJASA-N 442.466 6.010 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)NCc3ccc(Cl)cc3)c2c1C 3259380 UETORSWMPJLWAS-UHFFFAOYSA-N 439.993 6.043 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)ccc12 3259680 XPZPRVFHMQGFOF-UHFFFAOYSA-N 445.315 5.157 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1Cc2ccccc2CN1C(=O)c1ccco1 3369303 WUMCDZBNSAILST-GOSISDBHSA-N 448.828 5.158 0 40 IKAB CCCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccccc3)oc3ccccc23)cc1 3655441 PTXSPSPIGZYFRS-UHFFFAOYSA-N 427.500 6.485 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)N[C@H](C(=O)OC)C(C)C)c(C(C)(C)CC)c1 5501564 HVFIMKXUPUDHMD-QHCPKHFHSA-N 433.633 5.535 0 40 IKAB Cc1[nH]c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)nc1Cc1ccccc1 8706435 HOFJGBNOXAKTHQ-FQEVSTJZSA-N 448.617 5.374 0 40 IKAB Cc1[nH]c2ccccc2c1[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 8722581 KNKYIHVBDYUDSG-DEOSSOPVSA-N 437.326 5.566 0 40 IKAB CN(CCOC(c1ccccc1)c1ccccc1)CC(=O)Nc1ccccc1C(F)(F)F 8729110 OHWBVPIRNZIYNC-UHFFFAOYSA-N 442.481 5.382 0 40 IKAB O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8762855 YFLWLELMDYZTCE-GDLZYMKVSA-N 436.989 6.256 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cc(-c2cccs2)nc2c(C)c(Cl)ccc12 8919308 AKQZIKVBWVXCKE-UHFFFAOYSA-N 434.992 7.302 0 40 IKAB O=C(COc1ccc(Cl)cc1)NCCSc1c(-c2ccccc2)[nH]c2ccccc12 8923857 LHHDSUDKBNPJSG-UHFFFAOYSA-N 436.964 5.776 0 40 IKAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccccc2C3(C)C)cc1OCC 9087126 KBGIJNJVHXVDOI-XNWPQPEVSA-N 434.580 5.291 0 40 IKAB Cc1cccc(N2C(=O)CS[C@]23C(=O)N(Cc2ccc(Cl)cc2)c2ccccc23)c1 9225621 QCLVFNCQHFCBSS-XMMPIXPASA-N 434.948 5.128 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@@H]1CC(c3ccc(OC(F)F)cc3)=NN12 9332335 RXUKIKMBSHAQDO-NRFANRHFSA-N 427.495 5.034 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cncn3)o2)cc1 9593715 GMNPVDKXTWLRRR-UHFFFAOYSA-N 440.381 5.001 0 40 IKAB COc1ccc(Cl)cc1N[C@@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 9606530 HFZUOOCIBBZKIE-FQEVSTJZSA-N 444.293 6.393 0 40 IKAB Cc1cc(-c2nc3ncccc3o2)ccc1NC(=O)COc1ccc(Cl)cc1Cl 9669085 GTYSUVBWRJSSAQ-UHFFFAOYSA-N 428.275 5.523 0 40 IKAB CC(C)c1ccc(-n2c(-c3ccco3)nc3c(cnn3-c3ccc(Cl)cc3)c2=O)cc1 9678208 KHQGJLDFWIODMB-UHFFFAOYSA-N 430.895 5.608 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccc(Br)c3)o2)cc1 9884899 OXJSVHLKXIEGSS-GFCCVEGCSA-N 432.343 5.181 0 40 IKAB O[C@@H](COc1ccc(-c2ccccc2)cc1)CSc1nnc2c(Cl)cc(Cl)cn12 10202587 NXAMHVKGDUOONM-KRWDZBQOSA-N 446.359 5.235 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2ccc3ccccc3c2)cc1 10337937 DEZNPNDOZCQMKA-UHFFFAOYSA-N 448.519 5.197 0 40 IKAB O=C(N1CCN=C1SCc1ccc(Br)cc1)C12CC3CC(CC(C3)C1)C2 11757675 SBKPERSVWBNXPW-UHFFFAOYSA-N 433.415 5.097 0 40 IKAB C[C@H](NC(=O)CCN1c2ccccc2Sc2ccccc21)C12CC3CC(CC(C3)C1)C2 12623739 ZLYRVOVJFNXIOR-MBBDBFLNSA-N 432.633 6.401 0 40 IKAB CCSc1ccccc1C(=O)NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1 12794973 ISSFDOZMUBDOSA-UHFFFAOYSA-N 444.600 5.518 0 40 IKAB COCc1c(C(=O)Nc2cc3oc4ccccc4c3cc2OC)sc2cccc(F)c12 12920693 ZXBKQKXOXSKNOI-UHFFFAOYSA-N 435.476 6.347 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](Sc1nnc2n1CCCCC2)c1ccccc1 13110051 WVYFYHZDEWXHSM-LJQANCHMSA-N 446.498 5.495 0 40 IKAB COc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cccc(C)c3C)[C@H]2c2ccccc2)cc1 13119628 XDMYQTSHJPGNAV-JYFHCDHNSA-N 428.532 5.435 0 40 IKAB CO[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC(=O)[C@@]2(O)C1 13423784 MCXULCLKYCWUMP-NMHQMSSUSA-N 432.689 6.417 0 40 IKAB biogenic,in-vitro Cc1cc(C)nc(-n2nc(C)c3c2N=C(O)C[C@H]3c2ccc(OCc3ccccc3)cc2)n1 13569296 MCMOIBJLUHTGBM-QFIPXVFZSA-N 439.519 5.290 0 40 IKAB Cc1c(C(=O)c2ccccc2)oc2ccc(NC(=O)c3ccc(Cl)nc3Cl)cc12 13723691 MIBMFGPACNGDLM-UHFFFAOYSA-N 425.271 5.926 0 40 IKAB biogenic COc1cc(C(C)(C)C)c(OCC(=O)N(c2ccccc2)c2ccccc2)cc1C(C)(C)C 13939916 MCZCRARPRWCPBV-UHFFFAOYSA-N 445.603 7.034 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C2CCCCC2)c1 13943868 LGJMUUUJBQTCNM-MUUNZHRXSA-N 436.555 6.721 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc(OC(C)C)cc1 14272346 PLIDUYYBFPPPFR-UHFFFAOYSA-N 444.531 6.666 0 40 IKAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cccc(C)c2C)cc1 15413152 IQWVQKGFSNOJDQ-RUZDIDTESA-N 430.573 5.455 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccccc4Cl)ccc3c2C)cc1OC 15729413 OOEVMRWEOICWLP-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic COc1ccc(C(=O)c2oc3ccc(NC(=O)/C=C/c4ccccc4)cc3c2C)cc1OC 15729512 SQDKUFUNAPLTCY-NTEUORMPSA-N 441.483 5.641 0 40 IKAB biogenic CCOc1ccc(-n2c3c(c(S[C@@H](N)c4cccc5ccccc45)nc2=O)CCC3)cc1 15840508 OKHVVBCGJPWCON-XMMPIXPASA-N 443.572 5.023 0 40 IKAB CC(C)(NC(=O)NC1CCCCC1)c1cccc(C(C)(C)NC(=O)NC2CCCCC2)c1 16323356 YWEMKJUOVDQMNL-UHFFFAOYSA-N 442.648 5.421 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1ccc(Cl)nc1 16576185 PIBYFMXADJGRML-VOTNDGQHSA-N 441.015 6.017 0 40 IKAB CCCCCNCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OCC)c1 16638525 ISHQKHBZNCTWAV-UHFFFAOYSA-N 440.809 6.360 0 40 IKAB COc1cc([C@H]2CC(C)=Nc3c(-c4ccc(Cl)cc4)c(C)nn32)cc(OC)c1OC 17094633 KBOPFWOPOCGYOS-GOSISDBHSA-N 425.916 5.623 0 40 IKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 17314968 JNKJUTUSUVTHDC-CQSZACIVSA-N 433.766 6.750 0 40 IKAB Cc1cc(-c2ccc(N)nc2)cc(C2CCN(C(=O)CCCc3ccc(F)c(C)c3)CC2)n1 19692136 FJZLIWOMZVEQRF-UHFFFAOYSA-N 446.570 5.211 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc(Cl)c(-c4ccc(CO)o4)c3)o2)cc1Cl 20140339 XZDKFNQYEXOAFG-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(CSCc1cccc(Br)c1)NCCSCc1ccc(Cl)cc1 20238280 MBYXDXDNIOIAAM-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3n2)cc1 20610501 FZNBPGJQCMONDL-UHFFFAOYSA-N 432.527 6.463 0 40 IKAB Cc1ccc(N2CCC[C@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)C(C)(C)C)C2)cc1 22255710 DLJNRLLPFDRPLX-QFIPXVFZSA-N 446.595 5.397 0 40 IKAB COc1cccc(OC)c1C(=O)NC(=S)Nc1nc(-c2cccc3ccccc23)cs1 22528703 PTMLRNKCFLVZTF-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB COc1cccc([C@H]2CN[C@H](c3ccc(SC)cc3)c3[nH]c4ccccc4c32)c1OC 25480349 YUWKNXAQUIIHLZ-HYBUGGRVSA-N 430.573 5.732 0 40 IKAB C[C@H](CO)C1=C(c2c[nH]c3ccccc23)[C@@H]2[C@H](C)C[C@@H](O)[C@@]3(C)[C@H](C)CC[C@H](O)[C@@]23CC1 31457626 ZMEZVDUXYBOYTB-MPNNTWSSSA-N 437.624 5.144 0 40 IKAB biogenic CCCOc1ccc(-c2noc(Cc3nc(-c4ccc(OC)c(OC)c4)cs3)n2)cc1 33298243 FYSSYOKODMCQEB-UHFFFAOYSA-N 437.521 5.257 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3cc(C)n(Cc4ccccc4)c3C)C(O)=NC2=S)cc1 34745416 IEXCKCOHIQZATA-HZHRSRAPSA-N 443.572 5.387 0 40 IKAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccc(COc2ccccc2Br)cc1 36612041 FUGQAMZBLKXPOP-UHFFFAOYSA-N 448.320 5.466 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 38860826 UMQCYFCFIGXDFF-LJQANCHMSA-N 438.930 6.122 0 40 IKAB CC(C)C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccccc1 44936879 AACSPUKPGGYRBS-HSZRJFAPSA-N 433.423 6.109 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(N3CCCCCC3)C2=C(N2CCCC2)C1 49676334 IBCLQYAWVKLANK-SSEXGKCCSA-N 426.545 6.059 0 40 IKAB CC(C)(C)NC(=O)c1sc2c(NC(=O)c3ccc4ccccc4c3)cccc2c1Cl 59294251 ACWYKSZZEBVUCN-UHFFFAOYSA-N 436.964 6.489 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209196 TVSZRARQLACJAV-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1C(=O)Nc1ccccn1 67294969 DJACAZFJHBVTEA-LVWGJNHUSA-N 434.293 5.383 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1Cc1ccccc1 72215851 ULMZNUYWPVPWSI-DEOSSOPVSA-N 429.564 6.492 0 40 IKAB CCn1ccnc1CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72350305 YUZAUNWIVSGXIK-UHFFFAOYSA-N 428.502 5.287 0 40 IKAB COc1ccc([C@@H](CNc2ncccc2-c2nc(C)no2)c2c[nH]c3ccccc23)cc1 78903553 WSOJCYUVXHOODL-OAQYLSRUSA-N 425.492 5.174 0 40 IKAB O=C(CCCCCN1C(=O)c2ccccc2C1=O)N(Cc1ccccc1)Cc1ccccc1 96194483 LEOHDNSDWNZMBY-UHFFFAOYSA-N 440.543 5.072 0 40 IKAB CCOc1c(I)cc(C(=O)Nc2cccc3ccccc23)cc1OC 106371766 ITVLALKYWBIDID-UHFFFAOYSA-N 447.272 5.104 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 108864217 MHPVRNIEPWMZQJ-JZZBYWGLSA-N 444.604 5.239 0 40 IKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@H]3CC[C@@]21C 118927565 FDKJNVMJOZNFQP-LKKANZAFSA-N 430.629 6.086 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3cccc(C(F)(F)F)c3)N21 222706037 JRSPQRWYQMMQSH-MAODMQOUSA-N 442.510 5.871 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1C 223397506 GOWDMCOARVLXIA-CLJLJLNGSA-N 438.600 5.662 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225092257 WGJCJTOADMOBKT-SJORKVTESA-N 435.395 5.176 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225246859 HKMYJOXSDLDQTL-QFIPXVFZSA-N 447.044 5.297 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1cccc2ccccc12 225415219 VGNBMEVJQDASLL-RTWAWAEBSA-N 446.591 5.113 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 225515386 ZLAYSEFENRKQGC-WMZHIEFXSA-N 445.003 5.058 0 40 IKAB C[C@@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccccc3F)CCCC2)cc1 225516568 ZSVBLGAMVWFCIJ-OAQYLSRUSA-N 438.587 5.920 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCC[C@@H]3C)cc2)CCC[C@@H](C)C1 225664367 XUAOYKPJHRETSU-TVZXLZGTSA-N 430.633 5.644 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCC(C)(C)OC)c(Cl)c2)CCC[C@@H](C)C1 225667242 PLCUAPWENSQKTF-UZUQRXQVSA-N 425.997 5.848 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(C(=O)O)o3)ccc2Cl)cc1 226355736 JMCWZSCRTBZTNO-UHFFFAOYSA-N 442.924 5.548 0 40 IKAB COc1cc(/C=C/C(=O)O)c(Br)cc1OCc1ccc(Cl)c(Cl)c1 226360895 HOEDERZWTIHPMF-HWKANZROSA-N 432.097 5.441 0 40 IKAB C[C@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)[C@H]1C[C@H]2CC[C@H]1C2 239402821 RFBBNAHDSTYUGA-FOSQAFHUSA-N 432.490 5.098 0 40 IKAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3o1)[C@@H]2Cc1ccccc1 257204058 ASWVHVWGWHVLFB-RGXIMUQGSA-N 442.559 5.048 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1NC(=O)c1ccc(Cl)cc1 408610332 SXVXPVDXZFFXHT-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)C(=O)[C@@H]2C1 408682709 LGNDWFRIJGFZPW-DZGCQCFKSA-N 429.303 5.091 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4ccc(Cl)cc4Cl)c3)C(=O)[C@@H]2C1 408689346 YORNNFQWTNITGE-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(Cl)c2)c1 408696108 WEVRLCAXPRDFAN-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(CSc2nc3ccc(NC(=O)[C@H]4CCCC[C@H]4C(=O)O)cc3s2)c1 408750908 TZFBXFPBDFIKRF-ZWKOTPCHSA-N 440.590 5.727 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(C(C)(C)C)cc2)C1=O 408818581 XHSCPYMUNALICH-ANQPRWKQSA-N 433.641 7.038 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(CSc2ccccc2)cc1 409316593 ZPVLHGHWOGYMQC-UHFFFAOYSA-N 427.594 7.382 0 40 IKAB OCc1csc(-c2ccc(-c3cccc(-c4cccc5c4oc4ccccc45)c3)cc2)n1 585090208 MRGZMTCBYXAPNO-UHFFFAOYSA-N 433.532 7.536 0 40 IKAB CC(C)c1ccc(C[C@@]2(C)Cc3cc(CCC(=O)NCCC4(O)CCCC4)ccc3O2)cc1 2037875620 XJZHELJYFYDTRW-NDEPHWFRSA-N 449.635 5.490 0 40 IKAB CC1(C)CC(NCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)CC(C)(C)N1 848807 LQPQQDYUTDIVHR-UHFFFAOYSA-N 430.017 5.368 0 40 IKAB CCOC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccccc23)c1 905788 NJPNWDITJFRGLS-UHFFFAOYSA-N 443.528 5.204 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccc(F)cc2)cs1)C1CCCC1 1354684 HOLUKDFIABBSNJ-UHFFFAOYSA-N 435.524 5.281 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 1365901 TUFWWTINWGXOFB-KRWDZBQOSA-N 444.906 5.487 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccccc2)c2ccc(OS(=O)(=O)c3ccc(C)cc3)cc12 2074905 RLEYRVGSEPQYNZ-UHFFFAOYSA-N 449.528 5.192 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2089613 ZGICDRAJPWMEFV-UHFFFAOYSA-N 430.891 5.984 0 40 IKAB Fc1ccccc1-c1nnc(SCc2ccc(Br)cc2)n1-c1ccccc1 2205373 SZMPENDAZWSSSJ-UHFFFAOYSA-N 440.341 6.128 0 40 IKAB CC1(C)Cc2c(sc3nc(SCc4ccc(Br)cc4)nc(N)c23)CO1 2213281 KAZKSYVZYJEQBM-UHFFFAOYSA-N 436.400 5.180 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(CCc1ccccc1)C3=O 2224142 FTMXIRBICBQNGW-QHCPKHFHSA-N 429.903 5.543 0 40 IKAB CC(C)Cc1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1CCC2 2236617 UXVGGSZDCRFAOC-UHFFFAOYSA-N 433.602 5.902 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@@H](C(C)(C)C)C3 2270589 ZJUYYCNUDDVVTD-MRXNPFEDSA-N 426.651 6.409 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)COc3c(C)cc(Cl)cc3C)n2)cc1 2637465 ZQPCOJAXBFTDAL-UHFFFAOYSA-N 429.929 5.056 0 40 IKAB Fc1ccc(-n2cc(-c3ccccc3)c3c(N4CCN(c5ccccc5)CC4)ncnc32)cc1 2714039 FTYFKBYISRJYOC-UHFFFAOYSA-N 449.533 5.553 0 40 IKAB Ic1ccccc1C1N(c2ccccc2)CCN1c1ccccc1 3126782 QUNQJARMEGVTTB-UHFFFAOYSA-N 426.301 5.317 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S 3259376 COXAQTAYYXUWOZ-UGKGYDQZSA-N 426.674 6.573 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)Cc2ccc(-c3ccccc3)cc2)c2ccccc2)c1 3302737 WSHULJBVTGYSER-LJAQVGFWSA-N 449.550 6.436 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)c1ccccc1 3364122 MWIDRIVBFLDTGA-SFHVURJKSA-N 448.035 7.739 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1 3427901 YOEAXJKNRNEFLY-ZDUSSCGKSA-N 448.038 5.554 0 40 IKAB C[C@H](OC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(=O)Nc1nc(-c2ccccc2)cs1 3455336 IPJBZGWOOUYDMQ-KGLIPLIRSA-N 426.563 5.180 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)cc1 6059803 ABTZYGAATWMHJB-KRWDZBQOSA-N 433.573 6.635 0 40 IKAB C[C@H](NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 7109654 IYUQEYHXEQDTLP-MBBDBFLNSA-N 426.564 5.269 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4)cc3)C(=O)O2)cc1 8405717 BABSXOZWZDYFFU-QJOMJCCJSA-N 425.484 5.548 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)C1CCCCC1 8606452 SAETXHXUEMRMKO-UHFFFAOYSA-N 439.987 5.398 0 40 IKAB aggregator Clc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 8717703 JEHMUUGNGQASKI-VWLOTQADSA-N 443.978 5.876 0 40 IKAB Cc1[nH]c2c(C)ccc(Cl)c2c(=O)c1Cc1c(C)[nH]c2c(C)ccc(Cl)c2c1=O 8717984 CTQHLLJZSXTVFQ-UHFFFAOYSA-N 427.331 5.501 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)cc1 8830825 CPKVLBLLLBBOQB-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8831268 ZBDCLOYZXQJCLM-CYBMUJFWSA-N 447.387 6.894 0 40 IKAB Cc1ccccc1NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CN(C)CC3 8837627 WFQNXUYEZSWZBB-UHFFFAOYSA-N 434.590 5.156 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3ccc(F)c(F)c3)[C@@H](c3ccco3)C2)cc1 8849213 MPXWHJVPSUKGQQ-HXUWFJFHSA-N 428.460 5.036 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3c(OC)cc(Cl)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 8856453 UCNVAOVGCZIFHQ-ZJSXRUAMSA-N 448.906 5.378 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)COc1ccc(C(C)(C)C)cc1 8919429 UNDQEHFKFVPELE-UHFFFAOYSA-N 446.572 6.287 0 40 IKAB CCc1c(C)c2cc3c(-c4ccc(I)cc4)coc3c(C)c2oc1=O 8955705 RKLTZZUYXOZODH-UHFFFAOYSA-N 444.268 5.990 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccccc2Cl)cc1O 9130635 VVWUDIUYFOSFRG-UHFFFAOYSA-N 436.895 6.206 0 40 IKAB Cc1cc(C)cc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 9167267 SULPAZLLALINGN-OAQYLSRUSA-N 433.508 5.965 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1sc2cc(Cl)ccc2c1Cl 9280845 SITNIHQLQQPZCW-UHFFFAOYSA-N 438.339 7.004 0 40 IKAB CCC1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccccc3)=NN12 9290709 XUZQUSSXMMALQL-JCVMYPOKSA-N 425.370 6.289 0 40 IKAB COc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2Cc2ccccc2Cl)c1 9291789 KLUVKWKSAZNCIZ-JOCHJYFZSA-N 431.875 5.200 0 40 IKAB COc1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9291901 VRMXVWYENXLRDN-UNMCSNQZSA-N 434.337 5.954 0 40 IKAB CC(C)[C@@H]1C[C@](CCN2CCN(c3ccccc3)CC2)(Cc2ccccc2Cl)CCO1 9420532 VFJFJHQLZRMSMM-SVBPBHIXSA-N 441.059 5.916 0 40 IKAB O=C(Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1)c1ccco1 9517235 VTPSZUDAIFTPFS-UHFFFAOYSA-N 434.787 5.032 0 40 IKAB biogenic O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1c(Cl)cccc1C(F)(F)F 9634947 RPGQXXXBRCPNEI-UHFFFAOYSA-N 447.840 5.750 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccc(F)cc3)nc2SCC(=O)Nc2ccccc2)cc1 9674181 MYWPRYRIICMRSF-UHFFFAOYSA-N 433.508 5.622 0 40 IKAB Fc1cc(F)c2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 9675872 GEFRCTTUWNGBAR-UHFFFAOYSA-N 426.253 6.826 0 40 IKAB COc1ccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(C)cc3)n2C)cc1OC 10041545 IZVIPIIVQXJJNN-RQZHXJHFSA-N 444.556 5.487 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(OC)c(Cl)c2)nnc1-c1cc2ccccc2o1 10672814 NUDGJBVEJBSUSX-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)Nc1nc(-c2ccccc2)cs1 11347397 UMQMAJXQCGTZCM-CYBMUJFWSA-N 447.545 5.461 0 40 IKAB O=C(COC(=O)C1(c2cccc(F)c2)CCCC1)Nc1ccc(Cl)cc1C(F)(F)F 12883933 WNNQJZANZAMBES-UHFFFAOYSA-N 443.824 5.492 0 40 IKAB CSc1ccccc1C(=O)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1 12995426 IDUMUFCYQZIJMW-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC(C)CCn1c(SC/C=C/Cl)nnc1-c1cc(-c2ccccc2)nc2ccccc12 13098548 XOIZHAGHFZENAG-RIYZIHGNSA-N 449.023 7.051 0 40 IKAB O=C(/C=C/c1ccc2ccccc2n1)N(Cc1cccs1)c1ccc2c(c1)OCCO2 13116993 NNALHGRMJGFQBF-FMIVXFBMSA-N 428.513 5.314 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C 13498264 YOKMFFFOFRFJKE-SANMLTNESA-N 446.616 5.741 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 14397039 BXULVLZRRDSAGL-LJQANCHMSA-N 430.548 5.320 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(C)c1Cl 14398886 WJOZEHWZKWACPT-MRXNPFEDSA-N 430.331 6.809 0 40 IKAB OC1=N[C@@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 15947386 BEMVIGTVOXRBLJ-HXUWFJFHSA-N 444.387 6.042 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 16194590 KZUJGSLHEHZTQV-QPJJXVBHSA-N 439.751 6.431 0 40 IKAB CC(C)(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)Nc4ccc(Cl)cc4)nc3C2)cc1 16323183 UEEQZBWQVMRCCF-INIZCTEOSA-N 448.954 5.984 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccc(Cl)cc1 16840616 JTMAWKJURVDVSQ-UHFFFAOYSA-N 444.947 5.934 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 19014389 NEXFORKBUORCEF-AMSKCWDJSA-N 439.603 5.297 0 40 IKAB Cc1cccnc1NC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20734095 CRFQIAIMETYMQW-HSZRJFAPSA-N 425.532 5.476 0 40 IKAB COc1ccc(CNCc2cc(Br)ccc2OCc2ccccc2F)cc1 22076761 FGLYOVUNNMTJLX-UHFFFAOYSA-N 430.317 5.466 0 40 IKAB Cc1ccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 22415094 OGSNJSLJGHHKCJ-MRXNPFEDSA-N 448.375 5.646 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccc(NC(=O)c3ccco3)s1)oc1ccccc12 23698231 CNQRSFSSSPMGGK-UHFFFAOYSA-N 432.457 5.754 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cccc(C(F)(F)F)c1 32091948 HKFSEVXCUHOLRE-MRXNPFEDSA-N 448.832 5.702 0 40 IKAB COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)c(C)c1 32578656 YGPQAYQNMDXDIS-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCN(CC)[P@@]1(=Nc2ccc(C)cc2C)/C(=C2\N(C)c3ccccc3C2(C)C)C=NN1C 32693741 BTKXFDILNHZZEZ-WVQAKYLLSA-N 449.583 6.878 0 40 IKAB Cc1c(OCc2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)ccc2ccccc12 33776319 LWIGUSLLDJLQAZ-UHFFFAOYSA-N 444.387 6.455 0 40 IKAB O=C(Cn1cc(C(=O)COc2ccccc2)c2ccccc21)Nc1cccc2ccccc12 34721266 AFFFZIPLYPDIJH-UHFFFAOYSA-N 434.495 5.695 0 40 IKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1ccccc1 34771169 JHZHSORVPNFYBI-UHFFFAOYSA-N 434.399 5.444 0 40 IKAB COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4ccc(Cl)cc4)c3c2=O)c1 35400432 WDSVSZOPIDFXQX-UHFFFAOYSA-N 447.897 5.249 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2C)c1 35402846 HCQQTNNKZVLNPL-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(Nc1cccc(Br)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38833951 RTPFERRGSZEDCA-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@]2(O)C1 39614131 XGBHFLNWQIPOQW-JNDVAAQDSA-N 446.716 7.154 0 40 IKAB O=C(Nc1ccc(Cl)cn1)C1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 40148929 ZACGKPJNUOSFGF-UHFFFAOYSA-N 434.348 5.094 0 40 IKAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCc4c([nH]c5ccccc45)[C@@H]3C)c12 40155217 RJTABTWXYCBUHP-HNNXBMFYSA-N 440.478 5.578 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3cccc(C(=O)N4CCCCC4)c3)c(C)c12 40155984 MVAQENJBOYPAPR-UHFFFAOYSA-N 434.565 5.064 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(Cl)cc1 45891040 BTAZPQVTMBMECK-UHFFFAOYSA-N 446.570 5.570 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)C(c4ccccc4)c4ccccc4)c3)nn12 57316907 YJVITKDEGBAMDX-UHFFFAOYSA-N 439.544 5.186 0 40 IKAB CC(=O)N1CCc2cc(C(=O)N(c3cccc(N4CCCC4)c3)[C@H]3CCCC[C@@H]3C)ccc21 72290493 CJPBPRIWHWWCBE-FNZWTVRRSA-N 445.607 5.421 0 40 IKAB Cc1cccc(-c2nc(CS(=O)(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)no2)c1 95350609 YJRXOEMYTSUZGF-UHFFFAOYSA-N 440.471 5.028 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCC[C@@H]1C(O)=N2)c1sc2ccccc2c1Cl 95480311 UYHMVLJUBIEHJH-OAHLLOKOSA-N 425.897 5.013 0 40 IKAB CC(=O)[C@@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 100148319 DFIXEEFDUMGXRH-OYDLWJJNSA-N 449.300 5.083 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(Br)cc2C)nnc1-c1ccccc1 101189117 ODRBAFQVBKOIOL-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C\c1csc(Br)c1 102179338 LMKZVEOJOUBUDY-BJMVGYQFSA-N 427.245 5.184 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223363853 ATNILYQIBHMTTI-DHIUTWEWSA-N 449.963 6.069 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccs2)ccc1NC(=O)C(C)C 224077991 KGNXXPTXHMFSKA-SFTDATJTSA-N 436.606 5.223 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(C(C)(C)C)cc3)c2)cc1 224186499 HIPUOLIHISPLSJ-UHFFFAOYSA-N 445.603 7.167 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 224282458 NUDWQDVTQWTVBR-HSZRJFAPSA-N 444.978 5.196 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224542086 OKKDBWKLKXAQCL-UHFFFAOYSA-N 425.787 5.218 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COCc1ccccc1 224750693 FEGVTLWLWSBWDY-UHFFFAOYSA-N 443.587 5.897 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CC1 224863106 PCTZAHKKRMXZKA-FGZHOGPDSA-N 438.984 5.371 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3C(F)(F)F)o2)c1 224900634 RHKNXEINFLQTGD-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(C)ccc3OC)o2)c(OC)c1 224934537 ZKUBRPOKXSXRBK-UHFFFAOYSA-N 444.487 5.595 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225274840 OOAWSSMTGAHJSI-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC(c1ccccc1)c1ccccc1 225402983 YIQNNSYXKGWJEW-LJQANCHMSA-N 434.967 5.025 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 225634862 GFUAOZOLFCWNBW-WMZHIEFXSA-N 429.004 5.221 0 40 IKAB Cc1ccc(-c2csc(=NC(C)(C)C)n2-c2c(C)n(C)n(-c3ccccc3)c2=O)cc1 254746463 BEZVYSJIZMWIIW-UHFFFAOYSA-N 432.593 5.011 0 40 IKAB CC(C)(Oc1ccc(F)cc1)C(=O)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257229862 FZTJLAKFTKOYTF-OAQYLSRUSA-N 426.463 5.065 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2cccc(Cl)c2)O[C@@H](c2ccc(Cl)c(F)c2)C1 257264376 LUCFRVUIYUHWPR-VWPQPMDRSA-N 440.342 5.637 0 40 IKAB COc1cccc(CNc2cc(-c3cnc(C)nc3[C@@H]3CCCN(C(C)C)C3)ccn2)c1 257298439 RLPMILJDCVIRAO-JOCHJYFZSA-N 431.584 5.056 0 40 IKAB Cc1ccccc1CN1CCC(Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)CC1 257304326 SLBLJKWUWYGHDU-UHFFFAOYSA-N 441.619 5.407 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)c1ccccc1Cl 408561707 KKDVSQNFSHAPMW-NMWGTECJSA-N 425.768 6.246 0 40 IKAB Cc1cc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)ccc1Br 408576209 WAZYDEPODNZXRC-FMIVXFBMSA-N 441.350 5.544 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)cc(Cl)c1OCc1cccc(F)c1 408610734 RXQJTUCIZWKVMH-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)c1 408638079 BBLABOKRCXASLY-OAQYLSRUSA-N 442.559 6.211 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 408662899 MXMKHUJDVKDLOF-OAHLLOKOSA-N 430.342 5.095 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3cccc(C(=O)Nc4cccc(Cl)c4Cl)c3)C(=O)[C@@H]2C1 408675162 AEIRVMHAQANUMA-JKSUJKDBSA-N 429.303 5.091 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cc(Cl)ccc2OC)cc1 408676399 NOLSEMKDOXNTPU-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 408682547 YZBDGJBVTUOGEG-GOSISDBHSA-N 432.800 5.854 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)c1 408696652 DCEKQSBCRLRDMA-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(Cl)cc2)cc1 408698011 KYZSVRCMWRNDQU-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccc(F)cc2)c1 408699608 VEGIRPFLOPATBJ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cc(C)cc(NC2=C[C@H](c3ccc(C(C)(C)C)cc3)N(c3cc(C)cc(C)c3)C2=O)c1 408723789 NJJZXEPZESBVGZ-MUUNZHRXSA-N 438.615 7.302 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2ccc3ccccc3c2)c1 408724996 NLXNIKVDIFHIJE-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB O=C(CSCc1cccc(Br)c1)Nc1ccc(Oc2ccccc2)cc1 408775093 YVVFAEJDOHHAOS-UHFFFAOYSA-N 428.351 6.113 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)c2ccc(Cl)cc2)C1=O 409343825 INCDELVCOXKHQG-VCHYOVAHSA-N 436.316 5.311 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 409350574 RTMKSJURCWPLSN-UHFFFAOYSA-N 438.597 5.150 0 40 IKAB O=C(Cc1cc(Br)ccc1Br)Oc1cccc(Br)c1 575436409 WAZJNUMRNCZAIW-UHFFFAOYSA-N 448.936 5.122 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H](Cn1cncn1)[C@@H](Sc1ccccc1)c1ccccc1 630061 MCKCPBXNNGDCBE-VWNXMTODSA-N 433.964 5.964 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Cl 848509 HSVXOVUSDMIPTI-UHFFFAOYSA-N 441.196 5.567 0 40 IKAB COc1ccc(C(=O)CSc2cc(C)nc(SCC(=O)c3ccc(C)cc3)n2)cc1 900047 UCVZLNNJKDOOBO-UHFFFAOYSA-N 438.574 5.052 0 40 IKAB endogenous,in-man COc1ccc(NC(=O)N(Cc2ccc(F)cc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353211 LDSJLXGWNNXGFQ-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB COc1cccc(C(=O)N(Cc2ccc(Cl)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 1358595 DGOYXTBIBHGVEK-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB Cc1ccc(NC2=C(CC(=O)O)[C@H](c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 1884647 TZGAGWXXKMFTIF-VWLOTQADSA-N 430.479 5.371 0 40 IKAB C[C@H](OC(=O)Nc1cccc(Cl)c1)C(=O)OCCOc1ccc(Cl)cc1Cl 2037095 RVTQCMLKXQQCPQ-NSHDSACASA-N 432.687 5.206 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccccc4Br)ccc3o2)cc1 2051889 XYIHOACTBZDBHM-UHFFFAOYSA-N 449.348 6.807 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 2052140 HSOQFRAPJCLBSR-UHFFFAOYSA-N 438.380 5.639 0 40 IKAB Nc1c(Br)cc2oc(-c3cccc(Cl)c3Cl)nc2c1Br 2231649 DWLCXLCCAJMRFF-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB CCCCCCOc1ccc(NC(=O)c2c(O)n(CCCC)c3ccccc3c2=O)cc1 2274432 UOZNGZJOCQIZRJ-UHFFFAOYSA-N 436.552 5.719 0 40 IKAB CCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](Nc1ccccc1)c1ccc(OC)cc1 2399471 PNCAPBMRQSAXGP-FKAPRUDGSA-N 438.508 5.902 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2454491 HCHZRBONHCQDRQ-CQSZACIVSA-N 430.357 5.741 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1cccnc1 2629917 DSVZZHDTQOLZBI-QFBILLFUSA-N 432.553 5.434 0 40 IKAB CSc1cccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)c1 2654283 SPQKFNKOAGPJFS-UHFFFAOYSA-N 449.373 6.639 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)/C=C/c1cccs1 2679371 ZJWCMFPCNKJWDD-OUKQBFOZSA-N 439.602 6.603 0 40 IKAB CCCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[C@H](CC)C3)cc1 2752805 BUYVBINZHHUZIV-INIZCTEOSA-N 429.582 5.871 0 40 IKAB O=c1c2c(-c3ccccc3)csc2nc(SCc2ccccc2)n1-c1ccccc1 3234312 ZFNZACZYTWPAIO-UHFFFAOYSA-N 426.566 6.407 0 40 IKAB Cc1ccc(C(=O)[C@@H](Sc2nnc(NC3CCCCC3)s2)c2ccc(C)cc2)cc1 3357938 QWIVBGYIZIYBGO-QFIPXVFZSA-N 437.634 6.616 0 40 IKAB COc1ccc([C@H]2N[C@@H](c3ccc(OC)cc3)[C@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 4144005 BTUTYNXWDXRDAN-VGPHUIOHSA-N 431.576 5.335 0 40 IKAB CCCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 5792873 RNIJCNIWUSGVHJ-BWVDWJPHSA-N 442.772 9.213 0 40 IKAB biogenic,in-vitro CCCCn1c(SCc2ccc(Cl)c(Cl)c2)nc2cc(S(N)(=O)=O)ccc21 6346352 DAZYKSUOYGYXKT-UHFFFAOYSA-N 444.409 5.083 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(ccc12)OCN(c1ccc(C(C)C)cc1)C3 6900571 DYJGLEIWQJVQNG-UHFFFAOYSA-N 425.528 6.172 0 40 IKAB Cc1ccc(CSc2nnc(C[S@@](=O)Cc3ccc(Cl)cc3Cl)n2C)cc1 8670316 DNBBECPIWLKEEU-HHHXNRCGSA-N 440.421 5.172 0 40 IKAB CCCC(=O)N(c1ccc2oc(C)c(C(C)=O)c2c1)S(=O)(=O)c1ccc2ccccc2c1 8765775 YKNZYQLXMBYGBO-UHFFFAOYSA-N 449.528 5.619 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1cccc(Cl)c1)Cc1ccco1 8868689 YXMARPIDBIDKIN-UHFFFAOYSA-N 434.717 5.303 0 40 IKAB COc1ccc(Cc2nnc(SCC(=O)c3ccc(Cl)cc3)n2CC(C)C)cc1 9328223 XMWIKGZHSDEVKM-UHFFFAOYSA-N 429.973 5.162 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1cccc(C)c1 9518339 UQNATNHLWYSQKJ-UHFFFAOYSA-N 444.487 5.410 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)COc4cccc5ccccc45)ccc3Cl)oc2c1 9892111 CUMJQODQFJSPGW-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB O=C(C[C@@H](Sc1nnc(-c2ccccc2)[nH]1)c1ccccc1)NCCc1ccccc1 10381792 SBKQCZAYBOHLOW-JOCHJYFZSA-N 428.561 5.054 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1ccc(Br)o1 11758389 HXCFGZOBNGUVLM-UHFFFAOYSA-N 425.238 5.293 0 40 IKAB COC(=O)[C@@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 11866613 JXVSRWFHCGBLJV-VWLOTQADSA-N 428.484 5.294 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F 12507628 NLBVVWDJUOJBDY-XZOQPEGZSA-N 431.536 5.298 0 40 IKAB Cc1oc2cc(OC(=O)Nc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccccc1 12529495 VUIWYAFOJDLFMW-UHFFFAOYSA-N 440.282 6.686 0 40 IKAB C[C@H](NC(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 12678407 PNCNCRGTYRILHV-YOEHRIQHSA-N 438.877 5.088 0 40 IKAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 12730237 WINRCYOVCHUVLE-QGZVFWFLSA-N 432.659 5.319 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2cc(C)n(-c3nccs3)c2C)c1C 13017172 ZLVLWXBKLTUPRM-UHFFFAOYSA-N 433.533 5.009 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3ccc(Br)cc3)nc3ccccc3c2=O)cc1 13087014 BGKOQKGYJJKZNO-VGOFMYFVSA-N 447.288 5.017 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2cccc(F)c2)cs1)C1CCCC1 13564931 IOTRIZZHBURHMQ-UHFFFAOYSA-N 435.524 5.281 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14153219 ARLZQHXHILOLAG-JOCHJYFZSA-N 426.925 5.268 0 40 IKAB CCn1c(-c2ccc(OC)cc2)nn(CN(C)[C@H](C)c2nc3ccccc3s2)c1=S 14201594 HQSJXJZREZUQLT-OAHLLOKOSA-N 439.610 5.370 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)CN1C(=O)N[C@@](C)(c2ccc3ccccc3c2)C1=O 14238673 IJDONRLDMHUFLR-QHCPKHFHSA-N 442.346 5.003 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15412418 JTFKDABTRYZNQS-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCCCC(=O)NC(=S)Nc1cc2nn(-c3cccc4ccccc34)nc2cc1C 16637766 FNKFMIADSAWXAW-UHFFFAOYSA-N 431.565 5.275 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1c1ccccn1 16736038 NDXOVLVPXAWXLZ-RUZDIDTESA-N 446.462 5.730 0 40 IKAB CC1(C)[C@@H]2CC[C@H](O2)C(C)(C)[C@H]2CC[C@@H](O2)C(C)(C)[C@@H]2CC[C@@H](O2)C(C)(C)[C@@H]2CC[C@H]1O2 17130338 DPCOSXVVGHPESL-XAQZAPRVSA-N 448.688 6.295 0 40 IKAB Cc1noc(C)c1CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(Cl)cc1 18119605 QKZABXRZYLLIBU-UHFFFAOYSA-N 435.940 5.966 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)[C@@H]1Oc2ccccc2[C@@H]2CC(c3ccccc3)=NN12 19908586 ZLAHWROHXQEFNB-WNJJXGMVSA-N 430.507 6.106 0 40 IKAB Cc1ccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)cc1 20632614 VDUVKVFJXRYDCO-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 33783081 GNTGBYBHWOEDCQ-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB O=C(Nc1ccc(Br)cc1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38833999 PBZMDRUUSVYHGT-CYBMUJFWSA-N 442.184 5.607 0 40 IKAB Cc1ccc(NC(=O)N2CCC[C@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 40150032 MGXPEBWNFURLRW-XZOQPEGZSA-N 446.555 5.389 0 40 IKAB Cc1ccccc1Cn1c(SCC(=O)Oc2ccc(C(C)C)cc2)nc2ccccc21 41076853 CKFIPVBPHMENRC-UHFFFAOYSA-N 430.573 6.214 0 40 IKAB O=C1CCCN1c1ccccc1NCC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1 57517374 YQBCRAXBHDLDGN-HSZRJFAPSA-N 443.572 5.106 0 40 IKAB Cc1cc(=O)oc2cc(NC(=O)c3cc(-c4ccccc4)nc4c3cnn4C(C)C)ccc12 69532043 LDBYPMDYHMAUQE-UHFFFAOYSA-N 438.487 5.346 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ccc([C@H]2CCCCN2Cc2ccccc2)cn1 72215829 CWJXYEYEQVDLGL-RUZDIDTESA-N 443.591 6.882 0 40 IKAB O=C(c1ccsc1)N1CCCN(c2nc(-c3ccccc3C(F)(F)F)cs2)CC1 79092197 BPBSCMCURAYMHO-UHFFFAOYSA-N 437.512 5.243 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCc1ccc(C(=O)c2cccs2)s1 90610587 NSTPSWQMHVZGOR-UHFFFAOYSA-N 442.949 5.587 0 40 IKAB COc1cccc(NC(=O)c2ccc3onc(-c4coc(-c5cccc(OC)c5)n4)c3c2)c1 96154361 MYEYDXZWAGTMLN-UHFFFAOYSA-N 441.443 5.419 0 40 IKAB COc1ccc(NC(=O)N2CCN([C@@H](c3ccccc3)c3cc(C)ccc3C)CC2)cc1 96183757 HHRNUOQKUZVZIP-SANMLTNESA-N 429.564 5.251 0 40 IKAB CCc1cccc(C)c1NC(=O)CSCC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102310735 STCSCDXJNYQLFJ-WZGNDQMWSA-N 436.459 5.963 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N(Cc1ccco1)Cc1cccs1 102337389 JZYMSKSTPQEFRX-WZGNDQMWSA-N 448.426 5.994 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1OC 102730290 PDBSHOLBDQLWPN-MWTRTKDXSA-N 446.503 5.617 0 40 IKAB CC1(C)CC(=O)C(C(c2ccc(Cl)c(Cl)c2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 103423540 VDUWNNRYCWERII-UHFFFAOYSA-N 437.363 5.226 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222821156 OZDSIKLTYOSOLK-WOJBJXKFSA-N 431.392 5.560 0 40 IKAB Cc1c([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n(-c2ccccc2)c1C 223121449 YAEUCZMUXWIDFL-UIOOFZCWSA-N 444.648 6.103 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 223163841 OLTQYFFIYKHZFU-QFIPXVFZSA-N 445.003 5.221 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)o1 223364590 KDTCKDHAHCMNNY-PKTZIBPZSA-N 449.963 6.069 0 40 IKAB CN(c1ccc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1)S(=O)(=O)c1ccccc1 223746818 JLVZIPPQWIUSRN-UHFFFAOYSA-N 442.540 5.016 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1cnc(Br)cn1 224002891 DHWMCCMRVLKENR-UHFFFAOYSA-N 439.810 5.081 0 40 IKAB Cc1ccc(Nc2ccc(NC(=S)NCC3(c4ccccc4)CCOCC3)cn2)cc1 224014460 OWYLWYAZIAHCBS-UHFFFAOYSA-N 432.593 5.168 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1C 224259999 GIILFJAXNVQRPR-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CCc1ccccc1Cl 224277771 XRRZVUOJYHJTHD-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225159972 HSBSNJNJWBMZSV-RBUKOAKNSA-N 445.003 5.174 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225185942 GYOUZCZQLUIDFZ-XMMPIXPASA-N 438.612 5.005 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225205120 UYTPTUYKDFRKEB-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 225526333 GJKGQAATUYVNEU-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC(C)c1ccc(OCC(=O)NCc2cccc(C(F)(F)F)c2)c(Br)c1 225693669 MMPMLECGEFCWEX-UHFFFAOYSA-N 430.264 5.287 0 40 IKAB CN(c1cc(C(=O)Nc2ccccc2Sc2ccccc2)ccc1Cl)S(C)(=O)=O 225974538 KXNWMVJVILZIRJ-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB O=C1c2ccccc2CN1c1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1 226286574 NOAWCBZMYLOBSN-UHFFFAOYSA-N 439.696 6.071 0 40 IKAB CC1(C)CC[C@]2(CO)CC[C@@H]3[C@]4(C)CC[C@@H]5C(C)(C)[C@@H](O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@@H]2C1 247645443 JVNLDEJCBDVFDF-GQGWROEFSA-N 444.744 7.221 0 40 IKAB biogenic,in-vitro O=C(c1ccc2ncccc2c1)N1CCO[C@@H](c2cccc(Cc3cccc(Cl)c3)n2)C1 257276718 NUWAXSDVXJIHJU-RUZDIDTESA-N 443.934 5.088 0 40 IKAB O=C(Nc1cccc2ccccc12)[C@H]1CCCN(S(=O)(=O)c2ccc3ccccc3c2)C1 408528561 GNEBCELMGOUGRL-QFIPXVFZSA-N 444.556 5.032 0 40 IKAB O=C(O)/C(=C/c1ccc(Sc2ccc(Cl)cc2)o1)Sc1nc2ccccc2o1 408632006 CLSKUNLYJUSHQH-BOPFTXTBSA-N 429.906 6.443 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cccc(Br)c2)o1)Sc1nc2ccccc2[nH]1 408632369 FARPHUQCWNAEHU-WQRHYEAKSA-N 441.306 5.803 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)nc2-c2ccc(C)cc2)cc1 408694522 JZWQDXVALBUNRR-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(C)cc2)cc1 408697004 DNHWILPOUCJGNH-UHFFFAOYSA-N 434.499 5.657 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(C)c2)n(-c2ccc(C)c(Cl)c2)n1 408699141 RLLWGUUBWIOKSE-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc2nc(SCc3ccc(F)cc3)sc2c1 408748656 BONLIQDRRXLZHR-WZBLMQSHSA-N 436.533 5.039 0 40 IKAB O=C(CCC(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1 409205394 HZULRGIUVGXCNZ-UHFFFAOYSA-N 446.959 6.732 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 409375373 JTQWCUGSCXGKNJ-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB Cc1c(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)[nH]c2ccccc12 1848355225 YKACTPAAFMESGZ-KRWDZBQOSA-N 448.954 5.104 0 40 IKAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)N(c1ccccc1)c1ccccc1 1221535 YRDKBFOXILXFND-UHFFFAOYSA-N 437.528 5.273 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 1768495 FYTPUGBZDOZFLR-WLRTZDKTSA-N 428.315 6.233 0 40 IKAB CCc1ccc(Oc2coc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 1775148 HZXYSPSVEWZFEP-UHFFFAOYSA-N 441.310 7.034 0 40 IKAB CN(C1=C(Sc2ccc(Cl)cc2)C(=O)N(CCc2ccccc2)C1=O)c1ccccc1 1810718 JEKATODBYRRKKG-UHFFFAOYSA-N 448.975 5.392 0 40 IKAB O=C1OC(c2cc(F)c(F)cc2Cl)=N/C1=C/c1ccc(OCc2ccccc2)cc1 1835883 GQXJLBJWMSZAJM-UFFVCSGVSA-N 425.818 5.542 0 40 IKAB O=C(NC(=S)N(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc1Cl 1909197 WOQACIUOGYPTNV-UHFFFAOYSA-N 429.372 5.711 0 40 IKAB COc1ccc(N(Cc2ccccc2)C(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)cc1 2235664 CLGLRAMGFYOUMS-UHFFFAOYSA-N 433.891 5.610 0 40 IKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)COc1ccc(Cl)cc1Cl 2268144 USPPXVKRCVRMPM-IIBYNOLFSA-N 441.358 6.351 0 40 IKAB CCn1c(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nnc1-c1cccs1 2619392 XXBNBCKLAWCABB-UHFFFAOYSA-N 448.617 5.348 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(C)cc4)cc2-3)OCO5)cc1 2688735 XCGUUKQUMPUPDO-UHFFFAOYSA-N 437.499 5.687 0 40 IKAB O=C(OCc1ccc(Cl)cc1Cl)c1nn(Cc2ccccc2)c(=O)c2ccccc12 3260774 IDTQLWCLWDOLLU-UHFFFAOYSA-N 439.298 5.109 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)C(=O)N1CCc2ccccc21 3534142 GLCZABYFEMMPFG-GOSISDBHSA-N 438.556 5.276 0 40 IKAB aggregator O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)c1ccccc1 4428297 YXHQCPFGXOFHLR-LPOKLPNDSA-N 442.558 7.122 0 40 IKAB CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1 4897690 GCUNXFHHCXMPOA-XCZPVHLTSA-N 426.560 6.840 0 40 IKAB CCCC(=O)Nc1ccc(N2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)c(Cl)c1 5946067 ZQZYVILDYJSZDJ-UHFFFAOYSA-N 447.835 5.101 0 40 IKAB O=C(Nc1cc(Cl)c(NC(=O)NC2CCCCC2)cc1Cl)NC1CCCCC1 6320758 SHINYSWLIRNZDW-UHFFFAOYSA-N 427.376 5.902 0 40 IKAB Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccs4)c12)CCCC3 8448691 DRBOPWQLKIYPIL-UHFFFAOYSA-N 448.657 6.885 0 40 IKAB COc1ccc(CSc2nnc(-c3cnn(-c4ccccc4)c3-n3cccc3)o2)cc1 8763014 LALVKRVHNBNRBH-UHFFFAOYSA-N 429.505 5.014 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2cccc3ccccc23)c2ccccc21)c1ccc(Cl)cc1 8783287 MOYIKEZCKZCHQX-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB COc1ccc(Nc2nc(CSc3nnc(-c4ccccc4OC)o3)cs2)cc1 8966160 GQNGCTOYSPUDKH-UHFFFAOYSA-N 426.523 5.246 0 40 IKAB CCC(=O)N(CC[C@]1(c2ccccc2OC)CCO[C@@H](C(C)C)C1)Cc1ccccc1F 9075794 NSCNRUHMLAWIIP-VPUSJEBWSA-N 441.587 5.736 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)CC3CCCCC3)C3CCCCC3)n2)cc1OC 9095329 XKILIAQGALQAGJ-UHFFFAOYSA-N 441.572 5.386 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1 9303854 NWCLDCNGMXCADL-KRWDZBQOSA-N 443.311 5.615 0 40 IKAB COc1cccc(COc2ccc(-c3n[nH]c(C)c3-c3ccc(OC)c(OC)c3)c(O)c2)c1 9410812 WFWRXLXQCZMPEM-UHFFFAOYSA-N 446.503 5.363 0 40 IKAB O=C(CN1C(=O)C[C@@H](c2ccco2)Sc2ccccc21)Nc1ccccc1C(F)(F)F 9414604 YSTCXSKXGZICPL-IBGZPJMESA-N 446.450 5.507 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@@H](c2ccc(Br)cc2)C1 9435909 DLAKRFSCHHTMIG-OAQYLSRUSA-N 435.321 5.449 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccc(N3CCC(C)CC3)cc2)cc1 9465189 LZKIITOOGLRPGY-UHFFFAOYSA-N 433.552 5.288 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(C(=O)N(C2CCCCC2)C2CCCCC2)cc1 9600913 GJAOEHUVPAJIOT-YQXZIBMNSA-N 446.591 5.106 0 40 IKAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2nc3ccccc3[nH]2)[nH]c2c1C(=O)CC(C)(C)C2 9603749 HMKSUYDPZWWDDZ-FQEVSTJZSA-N 440.547 5.068 0 40 IKAB Cc1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccc(Cl)cc4)c3C)nc2c1 9635958 HLQHCZMFBFIJHL-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N(C)C(c3ccccc3)c3ccccc3)n2C)c1 10240662 POPMYJSTKJNRHA-UHFFFAOYSA-N 442.588 5.131 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cc(Cl)ccc2C)cc1 11117339 KBYBMTNELLFQAM-LEWJYISDSA-N 427.957 5.165 0 40 IKAB Cc1c(C(=O)Oc2cc(-c3ccccc3)c3oc(=O)sc3c2)oc2ccc(Cl)cc12 11915097 XFWAIZTXTKWABA-UHFFFAOYSA-N 436.872 6.449 0 40 IKAB Cc1ccc(-c2nc(CS[C@H](C)C(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 12853734 ULYWSYMFBBDPPR-CYBMUJFWSA-N 437.417 6.686 0 40 IKAB CCOc1ccc(CNCC[C@@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1OC 12864415 OHZCFVVRZGMNSE-KAYWLYCHSA-N 441.612 5.355 0 40 IKAB biogenic FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1ccc(Cl)c(Cl)c1 12956523 OOAUMYZKZLHFBC-UHFFFAOYSA-N 428.024 7.055 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1csc(Cc2cccc(C(F)(F)F)c2)n1 12956769 DNACWLOAECXSSY-UHFFFAOYSA-N 431.266 6.312 0 40 IKAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(-c3cccc(Br)c3)o2)c(C)c1 12978215 VDYUHHLIAPUCSG-AWEZNQCLSA-N 446.370 5.544 0 40 IKAB O=C(CN1CCN(c2ccccc2)CC1)Nc1ccccc1Sc1ccc(Cl)cc1 13056323 BOECVUCEARZOEF-UHFFFAOYSA-N 437.996 5.252 0 40 IKAB Cc1csc(SCc2c(C(=O)NCc3ccc4c(c3)OCO4)oc3ccccc23)n1 13112914 SQGYTCJRNBTTEP-UHFFFAOYSA-N 438.530 5.149 0 40 IKAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 13120219 FALMQNDBKKMJSR-UHFFFAOYSA-N 440.478 5.058 0 40 IKAB CCCCCCOc1ccc(/C=C(\Cl)c2nc3cc(C(=O)O)ccc3c(=O)[nH]2)cc1 13351403 LVDKGXJYMQYEPI-UYRXBGFRSA-N 426.900 5.317 0 40 IKAB c1ccc(CCN(Cc2cccs2)[C@H](c2cccnc2)c2nnnn2C2CCCC2)cc1 13561900 MGOIFMRYBHUXDU-XMMPIXPASA-N 444.608 5.079 0 40 IKAB COc1cccc(C(=O)Nc2c(-c3cccc4ccccc34)c(=O)c3ccccc3n2C)c1 13591585 YLCJJSUSIAJXSS-UHFFFAOYSA-N 434.495 5.620 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccccc1[C@H]1CC(c3ccc(Br)s3)=NN12 13596863 DXEFUKFKUMSOOP-FOIQADDNSA-N 433.371 5.339 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2Cc2ccco2)cc1 13804129 OILMTSXMIUVPTO-UHFFFAOYSA-N 448.548 5.024 0 40 IKAB CCCCCC1CCC(c2ccc(-c3nc(-c4ccc(OC(F)F)cc4)no3)cc2)CC1 13940097 JACGSWQVBWTYID-UHFFFAOYSA-N 440.534 7.859 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CCCC4)ccc1OCc1ccccc1F 15084833 WIKHPQUSZRKHJY-GOSISDBHSA-N 437.536 5.828 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)cs1)Nc1ccc(N2CCOCC2)cc1 16429655 YIKKAYAFCDMWSW-UHFFFAOYSA-N 445.997 5.031 0 40 IKAB O=C(CSc1ncc(-c2cccc(Br)c2)o1)Nc1ccc(F)cc1F 16841064 VWYCDLYEDSVYGA-UHFFFAOYSA-N 425.254 5.113 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)COc1ccc2ccccc2c1 17094803 QLEPLIBFLVPDKX-UHFFFAOYSA-N 426.451 5.039 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(-c3nc4cc(C)cc(C)c4o3)c2)cc1 17095923 LDSFVSLTCNWWMZ-GOSISDBHSA-N 428.532 6.643 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)/C=C/c2cc(Br)ccc2OC)cc1 17097808 WWYVWUVUDDFRBA-KPKJPENVSA-N 432.314 5.067 0 40 IKAB Cc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)c(C)c1 17180504 UDIWADYGDJMYMC-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1ccc(-c2nc(C(=O)N(C[C@H]3CCCO3)c3nc4ccccc4s3)cs2)cc1 17344603 VFTINCOEGSHTRL-QGZVFWFLSA-N 435.574 5.554 0 40 IKAB COc1ccccc1CN1CCC(Cc2ccccc2-c2ccc(C)cc2C)(C(=O)O)CC1 19132857 WLBCVNPEJPPHOW-UHFFFAOYSA-N 443.587 5.889 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)COc2c(C)cccc2C)n1 19525629 FOHPSZAGSVDZFU-HSZRJFAPSA-N 444.579 5.159 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)ccc2n1C 19687928 AHEPHJIOVXMCGB-VWLOTQADSA-N 444.966 5.498 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2SCc2ccccc2)c(Cl)c1 20044406 OLXNOSRTWNGMDV-UHFFFAOYSA-N 425.937 6.061 0 40 IKAB Cc1cc(C(=O)Cn2c(COc3ccccc3)nc3ccccc32)c(C)n1-c1nccs1 22315842 NLCCVNYIYYKSPI-UHFFFAOYSA-N 442.544 5.362 0 40 IKAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1 22528755 MLZIUYSYZCVSCZ-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)cc1 25390733 NNVPQCDIGHMUFL-QGZVFWFLSA-N 430.577 5.052 0 40 IKAB CC[C@H](C)n1c(SCc2nnc(C(C)(C)C)o2)nc2sc3c(c2c1=O)CCCCC3 27224427 ZHJQUZRXYFVOOQ-ZDUSSCGKSA-N 446.642 5.671 0 40 IKAB O=C1CN(C(=O)c2c(F)cccc2Cl)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28048050 NMAOJSYGPBMUKO-NRFANRHFSA-N 447.268 5.456 0 40 IKAB O=C(c1ccccc1CSc1nc2ccccc2o1)N1CCN(Cc2ccsc2)CC1 30027765 KCULMQKMPRJXCE-UHFFFAOYSA-N 449.601 5.140 0 40 IKAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccc(OC)c(COc2ccc(F)cc2)c1 32109692 CYXJCTZIOLZPCY-VWLOTQADSA-N 432.495 5.138 0 40 IKAB biogenic Cc1cccc(C)c1-n1c(SCc2noc(-c3ccsc3)n2)nc2ccccc2c1=O 32908187 WEOHBRJLVKFXTC-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB COc1ccccc1-c1nc(-c2cccc(OCC(=O)Nc3cccc(Cl)c3)c2)no1 33327369 VKJUGCLQRGHETF-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccc(C)cc1 34854231 PKOXILCHQWUKRE-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1 36615865 SUUIYVDHVLLGTO-INIZCTEOSA-N 426.520 5.106 0 40 IKAB COc1ccc(C(=O)N[C@@H](Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 41097949 QNAWJLRRCCTERC-NRFANRHFSA-N 433.895 5.112 0 40 IKAB CCCCn1c(SCCOc2ccc(F)cc2)nc2c(sc3ncccc32)c1=O 48989005 PULDXNFEXMFSMS-UHFFFAOYSA-N 429.542 5.117 0 40 IKAB c1ccc(-c2cc3c(N4CCN(Cc5cccc6cccnc56)CC4)ncnc3s2)cc1 57378608 MZYAGGHEZLFOHE-UHFFFAOYSA-N 437.572 5.229 0 40 IKAB COc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OC(=O)c1cccc(C)c1 59195087 YYVNYVCTIRHTCO-NDENLUEZSA-N 447.874 5.221 0 40 IKAB CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 72333078 KJUBZHQUJNPING-AZVUBCEASA-N 428.964 5.224 0 40 IKAB COc1ccccc1Cc1cccc([C@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72349681 BLNAAZXXXBLWFK-NRFANRHFSA-N 439.559 5.111 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1ccc(C)cc1 100425940 VEDLRAWCYYZOTG-MUAVYFROSA-N 436.555 6.873 0 40 IKAB COc1ccc([C@H]2c3c(ncn(Cc4ccccc4)c3=N)Oc3ccc4ccccc4c32)cc1 101175740 UZTNRHVAANRKFQ-RUZDIDTESA-N 445.522 5.859 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2ccc(N3C(=O)[C@@H]4[C@H]5CC[C@@H](C5)[C@H]4C3=O)cc2)cc1 102641588 RQSKSUQUROCAQH-ZRGHVXQMSA-N 431.532 5.129 0 40 IKAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=S)Nc1ccccc1)[C@H]2NC(=S)Nc1ccccc1 103211234 QGKBSHAUAIEERO-KTIHBUSBSA-N 438.666 5.153 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106723852 FXNVZCFTRCXHKI-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 107604234 WQHUUSCMKJBRES-CQSZACIVSA-N 449.407 5.697 0 40 IKAB CCCN1C(=O)S/C(=C\c2cc(C)n(-c3sc4c(c3C(=O)O)CCCC4)c2C)C1=O 107825126 UTNIYRGBWRUXFY-BOPFTXTBSA-N 444.578 5.179 0 40 IKAB COc1cccc(C(=O)Nc2ccccc2-c2csc(-c3ccccc3F)n2)c1OC 208010620 OBUKQSUZUGOIJT-UHFFFAOYSA-N 434.492 5.886 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 223046695 GXZAGLSCALAFBB-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 223094064 OSDDFGSBJDAYLB-FTJBHMTQSA-N 444.648 5.853 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc4ccccc34)c2)c1 224130683 CYJHNSOQDVYNJI-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1C 224556027 HJQUIXSYEVKSNU-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3nnc(SCC(C)C)s3)cc2)cc1 224594762 XNJGYDHNANEIJY-UHFFFAOYSA-N 429.636 6.139 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 224727002 CZLXPMQPBGINQK-HSZRJFAPSA-N 445.003 5.079 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 225248707 XJBXOPPYCVLEOQ-HSZRJFAPSA-N 429.004 5.169 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCCSCc1c(Cl)cccc1Cl 225326185 NVKKRHWQIBVGTN-UHFFFAOYSA-N 437.219 6.282 0 40 IKAB COc1cc(C)c(C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)cc1C(C)C 225659413 LITHCSAREJTLID-IBGZPJMESA-N 430.548 5.870 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNCc2cnc(C(C)C)nc2)CC1 257286363 PLGZKVPBQIMWGI-UAPYVXQJSA-N 436.625 5.238 0 40 IKAB CC(C)CC(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccccc3Cl)CC2)o1 257329129 XIQBOZNKLUWNIS-NRFANRHFSA-N 445.007 5.202 0 40 IKAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCSCc1c(Cl)cccc1Cl 408677146 AMDAGFQEQDJUKK-QGZVFWFLSA-N 428.381 5.209 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(Cl)cc2)c1 408699502 UOCXKAUEAKJALT-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C1OC(c2sc3cc(Cl)ccc3c2Cl)=N/C1=C/c1ccc(Br)o1 408841951 HJDWISPFLOCMNV-UXBLZVDNSA-N 443.105 5.908 0 40 IKAB CC(C)Cn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 409099650 SNHVLUNUEIGPAU-UHFFFAOYSA-N 436.806 6.309 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)c(C)c1 409104237 GSUBTNVZJAXZMX-UHFFFAOYSA-N 443.016 5.911 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Br)cc1 409110600 FGZOSSNMOAGJRX-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Cl)c1OCc1cccc2ccccc12 409116247 NBBITJXUOWEIFQ-UHFFFAOYSA-N 431.963 7.310 0 40 IKAB CC[C@@H](OC(=O)c1cc(-c2ccccc2Cl)nc2ccccc12)C(=O)c1ccccc1 409180300 WBLZSUBZUCTOJA-XMMPIXPASA-N 429.903 6.374 0 40 IKAB CC(C)Cc1nc(Cc2ccc(F)cc2Cl)c(C(=O)O)cc1-c1cccc(Cl)c1 585265561 SRYILASQCIPJEC-UHFFFAOYSA-N 432.322 6.682 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1sc2ccccc2c1Cl 624091 SVRAGIOKFAFZGX-UHFFFAOYSA-N 439.953 5.590 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1Cl)c1ccccc1 666141 SZNYASOXBMXEHD-UHFFFAOYSA-N 428.271 5.285 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(-c3nc4ncccc4o3)c2)cc1Br 817485 IISQZZJTYJCIET-UHFFFAOYSA-N 438.281 5.303 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nnc2-c2cccnc2)cc1 873209 PBVQXIDKEZLTTN-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@H]1CCCO1 894956 YMXDYXIJJCBIBK-OAQYLSRUSA-N 449.620 5.085 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C)C4)c(C)c1 1070819 WAIOHRDXEIHERI-HNNXBMFYSA-N 433.573 6.437 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCCC1 1371248 XOQGMZACSDYEBZ-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1371303 IFQIWVCISTZNGF-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1 1514399 GGHUNNJFUFMKDZ-UHFFFAOYSA-N 429.369 5.056 0 40 IKAB CCN(CC)CCOc1ccc(-c2c(-c3ccc(OC)cc3)c(=O)oc3ccccc23)cc1 1680079 FQUUJAHFDUTPAL-UHFFFAOYSA-N 443.543 5.856 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccccc1-c1ccccc1C(=O)O)-c1ccccc1C2 1717018 LMFHVKMWBCZPDL-UHFFFAOYSA-N 435.479 5.884 0 40 IKAB Cc1ccc2oc(-c3ccccc3Cl)c(OCC(=O)NCc3ccccc3)c(=O)c2c1 1942006 FHSPEYWBEGZRMQ-UHFFFAOYSA-N 433.891 5.117 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2c(C(C)C)cc(Nc3cccc(C)c3)cc2C(C)C)cc1 2024230 ZFRGCSMPPRCLDG-UHFFFAOYSA-N 437.605 7.062 0 40 IKAB COc1ccc2c(c1)c(C(=O)COc1cc(C)cc3oc(=O)c4c(c13)CCCC4)c(C)n2C 2095985 GMDVINBCXUWQOL-UHFFFAOYSA-N 445.515 5.051 0 40 IKAB biogenic CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3ccccc3Br)cc12 2107275 XNKXPPDBZYHQEW-UHFFFAOYSA-N 445.309 5.889 0 40 IKAB biogenic COc1ccccc1CNC(=O)c1cc2c([nH]c3ccccc32)c(-c2ccccc2OC)n1 2119477 HLKMKJCAKKDNRF-UHFFFAOYSA-N 437.499 5.330 0 40 IKAB biogenic O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1ccc(Cl)cc1 2221435 GMOLEWPZPCKANP-UHFFFAOYSA-N 443.684 5.869 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccc(Cl)cc2)cc1 2256140 LVQQGWHHVQFJNP-PKTZIBPZSA-N 430.870 5.283 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2285080 YWSGTDSNFIDLNJ-SFHVURJKSA-N 428.623 5.827 0 40 IKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)cc1 3097400 JQLXHCFIRVJOHS-UHFFFAOYSA-N 431.495 6.225 0 40 IKAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3251078 FWPIQMGPACQKJS-UHFFFAOYSA-N 438.597 5.078 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)OCc2c(Cl)cccc2Cl)cc1 3252851 XADCAXFCWXPMDS-UHFFFAOYSA-N 437.326 6.512 0 40 IKAB O=C(OCCNC(=O)c1sc2cc(F)ccc2c1Cl)c1cc(Cl)ccc1Cl 3256529 VJXLZSIKHILPBA-UHFFFAOYSA-N 446.714 5.587 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)n2)cc1 3319590 BDDYEDFNDGYGEE-UHFFFAOYSA-N 427.573 6.302 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)c1 4122541 NQWLXDSGPJOMDQ-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB CCN(CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(C)cc2)cs1 4214839 ODCOGGNHAUFDSC-UHFFFAOYSA-N 425.573 5.636 0 40 IKAB O=C(C1CCCCC1)N1C[C@@H]2C[C@H](C1)c1ccc(-c3ccc4ccccc4c3)c(=O)n1C2 4237086 JSENNNHXUAFKET-YADARESESA-N 426.560 5.195 0 40 IKAB biogenic,in-vitro CCc1ccc([C@@H]2C(C(=O)Nc3ccc(Cl)cc3)=C(C)Nc3nc4ccccc4n32)cc1 4787325 KNFHKGYLPHPXTI-XMMPIXPASA-N 442.950 6.180 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)c(=O)[nH]c2c1C 6410141 YCQFMYNBAPUCSB-LJQANCHMSA-N 433.621 5.525 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)c1C 8340749 PGIXZBCIAASAQA-UHFFFAOYSA-N 427.548 5.538 0 40 IKAB C[C@@]12C(=O)[C@@](C)(C(c3ccccc3)=C1c1ccccc1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]12 8383267 GWQANDHBBDBMJY-RRDXFFBTSA-N 433.507 5.012 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2cc(C)ccc2OC)c2nc3ccccc3nc12 8871035 LWRBWUIPNHTUDX-UHFFFAOYSA-N 432.524 5.066 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCSc1nc2ccccc2s1 9179371 MEWGRRXBZWFZEG-UHFFFAOYSA-N 442.606 5.475 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2c(F)cccc2Cl)c1 9283225 HSTXDKZQTZDPMH-UHFFFAOYSA-N 436.792 6.003 0 40 IKAB CCSc1nnc(NC(=O)CSc2cn(Cc3ccccc3)c3ccccc23)s1 9391690 HSSSOHYZQUZDIE-UHFFFAOYSA-N 440.619 5.384 0 40 IKAB COc1ccc(NC(=O)[C@@H]2c3ccccc3C(=O)N(CC(C)C)[C@H]2c2cccs2)cc1 9433260 LGNTZQIHXXXLLH-PKTZIBPZSA-N 434.561 5.332 0 40 IKAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)N1CCC[C@H]1c1nc2ccccc2s1 9643285 XQBJJMNGHLYPIW-OZSKJFCKSA-N 426.925 5.098 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2ccc(-c3nccs3)cc2)n1 9671008 CVJXCIRNCRFGPT-UHFFFAOYSA-N 432.574 5.762 0 40 IKAB CCOC(=O)c1c(NC(=O)CC(c2ccccc2)c2ccccc2)sc2c1CCCC2 9762534 HKADILIRDLWJJO-UHFFFAOYSA-N 433.573 5.964 0 40 IKAB Cc1ccc2sc(N(Cc3cccnc3)C(=O)COc3ccc(Cl)cc3)nc2c1C 9829750 OOWWMYRJFSSRDZ-UHFFFAOYSA-N 437.952 5.574 0 40 IKAB CCN(CC)c1ccc(C2(Cl)c3ccccc3N(c3ccccc3)c3ccccc32)cc1 9915895 VSDSLMUSMFOWGP-UHFFFAOYSA-N 439.002 7.847 0 40 IKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 9963844 DYMVSNSIRYRSKL-MJGOQNOKSA-N 449.620 5.118 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1ccccc1SCc1ccccc1 10331474 ROFHTNUFAHQILS-UHFFFAOYSA-N 428.022 6.296 0 40 IKAB Cc1ccc(Cl)c(NC(=O)COC(=O)c2sc3ccccc3c2Cl)c1Cl 11332063 PRLBZPYMVRZRAO-UHFFFAOYSA-N 428.724 5.965 0 40 IKAB COc1ccc([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(C(C)(C)C)cc2)cc1OC 12344285 WKZAYYXVNXXTPH-XMMPIXPASA-N 433.552 5.440 0 40 IKAB Cc1cccc(OCc2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)c1 12673891 CVXUHQRCYMSYJS-QFIPXVFZSA-N 449.507 5.568 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 12719737 UELTYJDTQILMTO-KIGHUMEXSA-N 446.553 6.671 0 40 IKAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1ccc(NC(=O)c2cccs2)cc1 12770072 UNFVEUDBZJZFDC-UHFFFAOYSA-N 434.439 5.171 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(CN(C)Cc3ccc(Cl)c(Cl)c3)[nH]c(=O)c12 13041612 KKHLQEJBCIZSHM-GFCCVEGCSA-N 438.424 5.820 0 40 IKAB O=C(NC1CCCCC1)c1ccccc1NC(=O)N1c2ccccc2Sc2ccccc21 13686746 MAIWFXYVIXORKZ-UHFFFAOYSA-N 443.572 6.584 0 40 IKAB CC(C)N(C[C@H](C)NC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)cc1)C(C)C 13960299 PNGFJKZNRHWNHL-HNNXBMFYSA-N 440.481 5.059 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1 13992082 QDDFJCGCULPAJG-UHFFFAOYSA-N 425.444 5.801 0 40 IKAB O=C(c1ccccc1OCc1ccc(F)cc1)N1CCC[C@H]1c1nc2ccccc2s1 14182727 BNAOWDHXAMYCAE-NRFANRHFSA-N 432.520 5.992 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)o1)C(=O)N1CCC(Cc2ccccc2)CC1 14241967 PLZOSJPAIBBIIU-QGZVFWFLSA-N 446.576 5.180 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3cccc4c(Cl)cccc34)c2C(N)=O)C1 14273312 UBBFWNYAEHVUGC-ZDUSSCGKSA-N 440.996 6.057 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14400816 YZKZMOBLSMQMMU-IBGZPJMESA-N 440.008 6.964 0 40 IKAB CCCCn1nc(C)c(NC(=O)c2cccc(NC(=O)c3cccc4ccccc34)c2)c1C 14405414 UHCWUHWUCIXZBF-UHFFFAOYSA-N 440.547 5.958 0 40 IKAB CC(C)c1ccc2c(c1)[C@]1(C)CCC[C@](C)(CNS(=O)(=O)c3ccc(F)cc3)[C@@H]1CC2 15305017 VFXUNXVHKCKVQJ-NXCFDTQHSA-N 443.628 5.938 0 40 IKAB COc1ccc(CCNCc2c(OCc3ccccc3Cl)ccc3ccccc23)cc1 16216570 OILFNYMXGNYKHC-UHFFFAOYSA-N 431.963 6.413 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 16611187 BVWJUORHALDEAF-QGZVFWFLSA-N 443.572 6.444 0 40 IKAB O=S(=O)(c1ccc(NC2CCCCC2)nc1)N(Cc1ccccc1)Cc1ccccc1 16779338 CTDCRIASQLVDJL-UHFFFAOYSA-N 435.593 5.217 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccccc3C)nc2c1 17095276 NICQOICSACDNAH-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 17096607 OHCSCTLCCLGOTA-UHFFFAOYSA-N 429.545 5.801 0 40 IKAB COc1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1 17101112 JTYRSNALZLZCAL-UHFFFAOYSA-N 437.304 5.094 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1OC 17167216 RHCCCKBUAJNGMP-PXNMLYILSA-N 442.295 5.386 0 40 IKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(CN2CCOCC2)cc1 18081491 IVXHIXPQIIJOFM-UHFFFAOYSA-N 429.545 5.048 0 40 IKAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCC[C@H](c2cc3nc(C(F)(F)F)ccc3[nH]2)C1 19346085 ZKEPIDRJZARZCY-LBPRGKRZSA-N 430.405 5.222 0 40 IKAB C[C@@H](c1ccncc1)N1CCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19459699 JYNCIIWGLXPXPJ-KBXCAEBGSA-N 443.498 5.770 0 40 IKAB CCOc1ccc(CN2CCC[C@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC 19533792 RAIZWOPXYPYBBN-INIZCTEOSA-N 431.483 5.256 0 40 IKAB CCOc1ccc(C2=C(CN3CCOCC3)[C@H](c3ccc(F)cc3)c3ccccc3O2)cc1 19802689 SDILMVGNWPKUBF-HHHXNRCGSA-N 445.534 5.492 0 40 IKAB CCc1ccc(NC(=O)C[C@H]2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 19962051 NJMCNTFAPZRQET-DEOSSOPVSA-N 442.563 5.406 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccccc1Br 20158400 PNFDFJLDWPKEFG-UHFFFAOYSA-N 425.307 5.684 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccccc4F)ccc3o2)cc1 20411344 UMJBQKKDUTUJOG-UHFFFAOYSA-N 433.508 5.884 0 40 IKAB O=C(CSc1nc2ccc(Br)cc2[nH]1)Nc1cccc(Cl)c1Cl 20765263 NXALOCDYEUFXGP-UHFFFAOYSA-N 431.142 5.363 0 40 IKAB CCOc1c(Br)cc(CN[C@@H](C)c2ccc(Br)cc2)cc1OC 22783622 GUAFDRJDDKIOLT-LBPRGKRZSA-N 443.179 5.470 0 40 IKAB CN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)s1 23039557 KHSVCJOGKJOEIC-UHFFFAOYSA-N 437.323 5.572 0 40 IKAB O=C(c1csc(-c2ccco2)n1)N(C/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 29599390 RWMXTKLWUFJNBN-XBXARRHUSA-N 444.512 5.535 0 40 IKAB COc1ccccc1NC(=O)COc1ccccc1-c1noc(-c2ccc(Cl)cc2)n1 33325075 IFATYBMKMHSWOJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1 35191415 NGZQPIDJKGPPTM-OVQGTLEDSA-N 438.593 5.739 0 40 IKAB c1ccc2c(CN3CCC[C@H]3c3nc(-c4ccc(OC5CCCCC5)nc4)no3)c[nH]c2c1 35425508 OUNARHOHWXBBJP-QHCPKHFHSA-N 443.551 5.662 0 40 IKAB biogenic,in-vitro COc1ccc(-c2noc3nc(C)cc(C(=O)Nc4cc(C)ccc4OC(F)F)c23)cc1 36619471 IWBKBFYRYGDVJY-UHFFFAOYSA-N 439.418 5.369 0 40 IKAB CCN(CC)c1nc2sc(C(=O)Nc3cc(OC)c(OC)cc3Cl)cc2s1 40155164 XCMMTHAZHHASEC-UHFFFAOYSA-N 425.963 5.127 0 40 IKAB COc1ccccc1NC(=O)COc1ccccc1-c1nc(-c2ccccc2Cl)no1 46012319 AYNCFODSDMCDKJ-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)Cc1ccco1 57614193 SKJFQDYGDDOQEC-QFIPXVFZSA-N 437.494 5.091 0 40 IKAB aggregator COc1ccc2oc(/C=C/C(=O)Nc3ncc(Cc4ccc(C)c(Cl)c4)s3)cc2c1 67339568 VQPQVMWQVGQTHW-SOFGYWHQSA-N 438.936 6.102 0 40 IKAB COc1ccc(CNc2c(C(=O)N3CCCCC3)cnc3ccc(Cl)cc23)c(OC)c1 72328463 SYNFNWBYZSXMIE-UHFFFAOYSA-N 439.943 5.144 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@H]3CCCN(C(=O)CCc4nnc(C(C)C)o4)C3)c2)c1 72354269 POIIRXYIOKWXPO-QHCPKHFHSA-N 446.595 5.134 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(OC(=O)c3ccccc3Cl)cc2)cc1C 89643250 VXPHVWYAVPJBGS-UHFFFAOYSA-N 429.925 5.001 0 40 IKAB CCc1cccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3ccccc3)C2)c1 95945252 OVAJHDYHNTVKJX-MHZLTWQESA-N 434.543 5.799 0 40 IKAB O=C(C1CC1)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1cccs1 101373342 BRHVXVCDVNHEPY-AFMDSPMNSA-N 440.568 6.708 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 101519263 IHTUQSVNUBACSA-WMEMMNBJSA-N 432.564 5.773 0 40 IKAB CC1(C)CC(=O)C(C(c2ccc(-c3ccccc3)cc2)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 104024947 OBRGUVUSFVEDON-UHFFFAOYSA-N 444.571 5.586 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(O)=C2[C@@H]1c1ccccc1 104171799 TWLBOFDAPGQBON-PPHZAIPVSA-N 426.491 6.396 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1SCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104750259 MHLLKEHGHYRKTM-JEEBJRHZSA-N 436.621 5.534 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 106700242 CGQWTRRPMADKIF-OCKHKDLRSA-N 431.344 6.205 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)c2ccccc21 106716984 HAAZCNYTPPAWKX-JAIQZWGSSA-N 445.371 6.595 0 40 IKAB Cc1cccc(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1C 149476032 SYVANVNDNFFEEK-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccc(OC)c(OC)c1 222732779 LULOZBLWBDOOIN-QGZVFWFLSA-N 428.381 5.511 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 222845129 KPQNMAMUAOVYEK-SANMLTNESA-N 446.591 5.113 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 222982033 BNGFBEYIZWKJMV-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 222984238 JEZMYJKZBQBFHJ-HSZRJFAPSA-N 442.603 5.542 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223303074 OVCQSTQGAANMMB-QHCPKHFHSA-N 438.612 5.021 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)c3cc(C(C)C)c(OC)cc3C)ccc21 223317655 TYGSYJODHLBXRN-UHFFFAOYSA-N 436.577 6.056 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223409762 MANWXNVZVKNTPK-VWLOTQADSA-N 434.967 5.179 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccc(C)cc1 224147223 BUEJINSDIFJJPB-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 224196106 ZMPQAWSFEOBTEX-JWQCQUIFSA-N 442.588 5.627 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)cc1 224212342 NDJCABHTVZENIR-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(Cl)c(C)c1 224212355 NBSPVBKCJWPKMD-INIZCTEOSA-N 444.358 6.380 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C[C@@H]2CCCO2)cc1 224363168 FHZDHJOYPDWZAZ-FTBPSBKWSA-N 446.620 5.363 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(Cl)c1 224437270 BFCSAJAXJHVPIF-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2CC)cc1COc1ccc(C(C)(C)C)cc1 224520265 KTDBCVXESDQHCF-UHFFFAOYSA-N 431.576 6.777 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 225134489 HKERJFIOVLOOLX-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)NCCCSCc2ccccc2Cl)c1 225607546 QVBAJIOVOUKDRU-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)Oc2cc(C(F)(F)F)ccc21 225822473 WLZFJCNOKZPFBN-UHFFFAOYSA-N 438.833 5.391 0 40 IKAB FC(F)(F)c1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225859615 NGYBIQYUYLXGLA-UHFFFAOYSA-N 426.935 6.591 0 40 IKAB CCCCOc1ncc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225877471 PPMKQFRTEZEMEA-UHFFFAOYSA-N 437.367 5.563 0 40 IKAB CCN(c1ccc2sc(C(=O)NCC(C)(C)C)cc2c1)S(=O)(=O)c1ccc(C)cc1 226091371 HFKYALIWJUGPJH-UHFFFAOYSA-N 444.622 5.201 0 40 IKAB COc1cccc2cc(CN3CC[C@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)oc12 257291280 QGIWTMZVNLKQCK-KRWDZBQOSA-N 434.561 5.347 0 40 IKAB Fc1ccc(O[C@@H]2COC3(CCN(Cc4cccc(OCc5ccccn5)c4)CC3)C2)cc1 257308687 TXSKUEWEAPFONE-SANMLTNESA-N 448.538 5.002 0 40 IKAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1NC(=O)c1cccc(Cl)c1 408552192 PCSZRNDEXUWYLH-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1c(Cl)cccc1Cl 408577655 UDJAKDWYFGASJM-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(C)c(Cl)c2)cc1 408675639 KBVVSXUTYBSOLX-UHFFFAOYSA-N 432.907 5.788 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@H]2C1 408685165 QFWJQNJXIYSRGS-SJORKVTESA-N 429.303 5.091 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)cc3C)n2)c1 408697254 IDLHEUPEFGCXRA-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB O=C(NCc1ccccc1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704649 QXBNCLMGOZIDDX-DEOSSOPVSA-N 436.964 5.044 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4cc(C(=O)OC)ccc4C)o3)S2)cc1 408768499 GNUGYQRUYJPXBL-GLSAMTQTSA-N 448.544 5.204 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)S2)cc1 408774192 BVDLQJJXJOAZRT-HVUZKSCUSA-N 438.637 6.149 0 40 IKAB C[C@@H]1CCCC[C@H]1N1[C](Nc2ccccc2)S/C(=C\c2cc(Cl)ccc2O)C1=O 408801699 WYDCEKGRICSTCZ-GUHZEUAUSA-N 427.977 6.100 0 40 IKAB COc1ccc(CCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 408877398 VPUXTYBKELPGLI-UHFFFAOYSA-N 441.980 5.622 0 40 IKAB S=C(Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)N1CCOCC1 408979081 LCVVBEOJZVZYAU-UHFFFAOYSA-N 438.603 5.116 0 40 IKAB Cc1ccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)c(C)c2)cc1 409179322 REDAVBKLKFLTSR-UHFFFAOYSA-N 433.511 5.983 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(Cl)cc2)cc1OCC 409179678 NECGIFIQRYYREW-UHFFFAOYSA-N 445.728 5.744 0 40 IKAB Cc1ccc(C)c(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)c1 409247043 AWFJUHLHOSBUEV-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cc(C)cc(C)c1 409360194 MCDZCWQCXXFUPD-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB Cc1cc2c(cc1-c1ccnc(N3CCN(Cc4ccccc4)CC3)n1)[C@H](C)CC(C)(C)N2 575473060 BBLQEWLUKBAHME-OAQYLSRUSA-N 441.623 5.472 0 40 IKAB C[C@H](NC(=O)CSc1nc(-c2ccc(F)cc2)cc(C(F)(F)F)n1)c1ccccc1 646606 BBLCAZMDHUTLJL-ZDUSSCGKSA-N 435.446 5.271 0 40 IKAB Nc1c(C(=O)NCc2ccc(Cl)c(Cl)c2)sc2nc(-c3cccs3)ccc12 660325 VOGRMNAAJXIAPB-UHFFFAOYSA-N 434.373 5.844 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCC2)cc1 874961 JDDHQJHACRMABV-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4C[C@H]3C)c2c1 906258 DWDWAXIGXIYBCX-QGZVFWFLSA-N 441.556 5.375 0 40 IKAB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc(O)cc3)C2)c(=O)o1 1278212 ITBOLXSQGKMINB-IBGZPJMESA-N 447.434 5.736 0 40 IKAB Cc1ccc(NC(=O)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 1364792 QWVJECMJHJAMCT-UHFFFAOYSA-N 433.939 6.641 0 40 IKAB aggregator O=C(Cc1cccs1)N(c1ccc(F)cc1)C1(C(=O)NC2CCCCC2)CCCC1 1368857 TWQDZHRSZRQAFN-UHFFFAOYSA-N 428.573 5.225 0 40 IKAB CN(O)C=C(C(=O)Nc1ccc(Cl)cc1Cl)C(=O)Nc1ccc(Cl)cc1Cl 1400425 UWNDYOITBYSFBJ-UHFFFAOYSA-N 449.121 5.082 0 40 IKAB CCC(C)(C)C(=O)[C@@H]1[C@](O)(C(C)(C)CC)C=C(c2ccccc2)C[C@@]1(C)c1ccccc1 1832125 JYXYBEIHSGHFQN-ARVREXMNSA-N 432.648 7.220 0 40 IKAB Cc1c(OC(=O)c2ccc(Cl)cc2)ccc2c(=O)c(-c3nc4ccccc4s3)coc12 2107234 XAVGHIKSQMCTKH-UHFFFAOYSA-N 447.899 6.251 0 40 IKAB biogenic Cc1ccccc1C(=O)Nc1c(-c2ccc(Cl)cc2)c(=O)c(C)nn1-c1ccccc1 2210953 BAIBTZBVXJSZNU-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB Cc1cccc(OCCOc2cccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)c2)c1 2304242 QDHDBRCPZSAZJO-UHFFFAOYSA-N 432.545 5.297 0 40 IKAB COc1cc([C@@H]2[C@@H]3CCCC[C@@]3(O)CCN2Cc2ccccc2Cl)cc(OC)c1OC 2330753 FHCDSSAQYVTDRX-DNVKUUNQSA-N 445.987 5.234 0 40 IKAB biogenic,in-vitro Cc1ccc(CN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 2342247 CLBNOQXTBLWXTF-QHCPKHFHSA-N 445.902 5.514 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2cccc(C)c2C)cc1 2359177 FXDGAYOIGMCYCL-UHFFFAOYSA-N 442.559 5.938 0 40 IKAB CCN(CC)C(=O)COc1ccc(-c2nnc(Nc3ccccc3C)c3ccccc23)cc1 2360216 JDLLCNHZKQYIDH-UHFFFAOYSA-N 440.547 5.596 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cc(Br)c(Br)s1 2620740 FSRLPCOOGQWZMK-UHFFFAOYSA-N 437.156 6.192 0 40 IKAB Cc1nn(Cc2ccc(C(=O)Nc3nc4c(C)cccc4s3)o2)c(C)c1Br 2745046 RWIYVFPCCXXEOT-UHFFFAOYSA-N 445.342 5.074 0 40 IKAB CCN(Cn1nc(-c2ccncc2)n(-c2cccc(Cl)c2C)c1=S)C1CCCCC1 3224537 KKWNVUABUXGWFO-UHFFFAOYSA-N 442.032 6.039 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)N3[C@H](C)CCC[C@H]3C)sc2c1Cl 3280473 KENQHIAPXPYKAN-GHMZBOCLSA-N 430.353 5.163 0 40 IKAB Cc1oc2cc(OCC(=O)c3ccc(Cl)s3)ccc2c(=O)c1-c1ccccc1Cl 3306049 QELBGQSBWLNPOV-UHFFFAOYSA-N 445.323 6.398 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)Cc3ccc(-c4ccccc4)cc3)sc2C)cc1 3366762 APOGEZXERMFMNA-UHFFFAOYSA-N 428.557 6.365 0 40 IKAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(OCc3ccccc3)cc2)n1-c1ccccc1 3433725 ZZVUXMAIBYVCIK-GOSISDBHSA-N 444.560 5.274 0 40 IKAB CC(=O)C(C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 3846278 RGMXZJHDZJTGFP-CTUHWIOQSA-N 448.559 5.332 0 40 IKAB biogenic COc1ccc2[nH]c3c(c2c1)CCN=C3CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 4728602 WJWMOAITXKZSDD-UHFFFAOYSA-N 432.608 6.455 0 40 IKAB Cc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccc(C)cc2)cc1 6245364 LHEQFELJPVGZNW-UHFFFAOYSA-N 434.996 6.442 0 40 IKAB CC(=O)OC1=CCC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@H]32)C1 6762179 DOZKIOWESDDEID-MSQUHMFHSA-N 442.728 8.555 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1 8752395 FCYXYJZECUYNRI-KRWDZBQOSA-N 433.914 5.706 0 40 IKAB CCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl 8832196 QJSYGLGGXYGHJP-UHFFFAOYSA-N 448.954 6.157 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c1 8875940 RIZCLPVHUQDVTR-UHFFFAOYSA-N 447.589 5.318 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@]2(c2ccccc2)C(=O)N1c1ccccc1 9013635 FWDPHRPQKVGFJL-IWVFXYMLSA-N 446.506 5.060 0 40 IKAB CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(C)cc(C)c3O)C(=O)N2Cc2cccnc2)cc1 9124608 GTOPPSCKTHUNCR-VWLOTQADSA-N 438.531 5.102 0 40 IKAB Oc1cc(OCc2ccccc2)ccc1-c1n[nH]cc1Oc1ccccc1Br 9157941 GTOAQSSQIDAKDG-UHFFFAOYSA-N 437.293 5.916 0 40 IKAB O=C(c1cccs1)c1ccccc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 9223817 TYDKXJCLCHHFPJ-UHFFFAOYSA-N 432.570 5.609 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2nc3cccnc3s2)c1 9278827 ZPAHMRMXYOSZEA-UHFFFAOYSA-N 430.316 5.683 0 40 IKAB CC(C)c1ccc([C@@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292689 PKHQQOBSUHZADT-UPVQGACJSA-N 436.386 7.613 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3)nnc2-c2cccc(C)c2)cc1 9309504 WILXUPTZQNYVGK-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1cccc(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1C 10365233 MUXVTKAORWDWDR-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCc1ccc(Cl)c(CC)c1NC(=O)CN1CCC[C@H]1c1ccc2c(c1)OCCCO2 11287989 CDAZLTLEBVCWKZ-NRFANRHFSA-N 442.987 5.402 0 40 IKAB O=C(Nc1cccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)c1)c1ccco1 11361080 WUPMHWUWBJMZQO-UHFFFAOYSA-N 431.300 6.306 0 40 IKAB O=C(c1ccccc1C(F)(F)F)N1CCN=C1SCc1ccc(Br)cc1 11757688 VYQLNYZONPDKBS-UHFFFAOYSA-N 443.288 5.213 0 40 IKAB COc1ccc(NC(=O)c2sc3nc(-c4ccc(Cl)cc4)ccc3c2N)c(OC)c1 12249684 QSFTZMQXQHHMQT-UHFFFAOYSA-N 439.924 5.468 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 12375347 NMQOZMPZOLXQII-UHFFFAOYSA-N 446.635 5.930 0 40 IKAB CSc1cccc2sc(N3CCN(C(=O)c4cc(Cl)sc4Cl)CC3)nc12 12493985 ZNMIGKBPVOHMRN-UHFFFAOYSA-N 444.434 5.349 0 40 IKAB Cc1ccc2c(COC(=O)CCN3c4ccccc4Sc4ccccc43)cc(=O)oc2c1 12637988 FDVAENJTVNVMRM-UHFFFAOYSA-N 443.524 5.838 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 12915013 XAOIWYVMVNRJGB-NSHDSACASA-N 426.822 5.113 0 40 IKAB FC(F)(F)c1cc(-c2cccc(Cl)c2)nc2cc(-c3ccc(Cl)c(Cl)c3)nn12 12956932 DKHNJWSBJRYBOU-UHFFFAOYSA-N 442.655 7.042 0 40 IKAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1ccc(Cl)cc1C(F)(F)F 12998656 AJDQRNZHYRALGP-UHFFFAOYSA-N 428.863 5.654 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)c1 13025903 XJPAIUDTGMHQEY-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB COc1ccc(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)cc1OC 13031984 WIESXFQUYYDXDU-QFIPXVFZSA-N 444.453 5.192 0 40 IKAB C[C@@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 13405259 NKAAAQIOGVGJLI-IRRGGTJQSA-N 442.640 6.925 0 40 IKAB biogenic Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4cccs4)cc23)cc1 13564699 VFCRONAERGLHBK-UHFFFAOYSA-N 426.545 5.041 0 40 IKAB COc1ccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)cc1 13564723 YVBONYAJGAPKEI-UHFFFAOYSA-N 440.478 5.141 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1ccccc1SCc1ccccc1 13677667 DYKBSEXOKGPIGL-UHFFFAOYSA-N 444.600 6.247 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2C)nnc1[C@H](C)Oc1ccccc1 13850081 RGXAQQUIZALWTO-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB CC(C)NCC(=O)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F 14169799 KXTBWWMDNASPTG-UHFFFAOYSA-N 431.252 5.197 0 40 IKAB CC(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 14607264 VRFXGUPNMCVBFM-CLOONOSVSA-N 434.561 5.077 0 40 IKAB O=C(Nc1ccc(Cl)cc1)[C@H]1CC(c2ccc(Cl)cc2)=Nc2ccccc2S1 16779102 XTPHKPKSMOMRRV-OAQYLSRUSA-N 427.356 6.617 0 40 IKAB Cc1ccc(CNc2nc(Nc3ccc(Cl)cc3)c3cnn(-c4ccccc4)c3n2)cc1 17041642 QOMJXHSNUYHMKI-UHFFFAOYSA-N 440.938 6.133 0 40 IKAB COc1cccc(-n2c(SCc3ccc(C)cc3)nc3c([nH]c4ccccc43)c2=O)c1 17041809 VCLKXOVYOQYPEI-UHFFFAOYSA-N 427.529 5.476 0 40 IKAB C[C@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)c(Cl)c1 17314971 JNKJUTUSUVTHDC-AWEZNQCLSA-N 433.766 6.750 0 40 IKAB CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 18272204 LFCGGILZHBVQQJ-UHFFFAOYSA-N 443.850 5.517 0 40 IKAB CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cc2ccccc2oc1=O 18835772 FLYYHBJATDUUPB-UHFFFAOYSA-N 438.277 5.088 0 40 IKAB O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1ccc(Cl)c(Cl)c1)nn2-c1ccccc1 19817301 KGCPSBGVJVSHPF-AWEZNQCLSA-N 438.314 6.428 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 20460927 APTKIHAGEOAOAX-VGOFRKELSA-N 436.939 5.627 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1ccc(Cl)cc1 20633746 QSFJZBZVBGNZLS-UHFFFAOYSA-N 426.307 5.221 0 40 IKAB Cc1ccc(-c2nnc(SCc3nnc(-c4c(-c5ccccc5)noc4C)o3)o2)cc1 21325436 ZIWDFRJUKZWGBN-UHFFFAOYSA-N 431.477 5.351 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 21578691 QZTUFUMYUOBJAJ-UHFFFAOYSA-N 436.511 6.834 0 40 IKAB Cc1ccccc1-c1noc(-c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)n1 23126896 ZKLPNMDDILDHPE-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB CCOc1cc(CN[C@H]2CCCc3ccccc32)ccc1OCC(=O)N(C(C)C)C(C)C 25259642 KXTAFIMFQSNPHN-DEOSSOPVSA-N 438.612 5.277 0 40 IKAB O=C(Cc1noc2ccccc12)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 32747495 VGNYADOLDZRRPU-LJQANCHMSA-N 429.907 5.453 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264242 KDNMWUGXFRIYSN-VZUCSPMQSA-N 445.733 6.551 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)NCc3ccccc3)c(Cl)nc2c1 35290142 HOVRILXQJNKHCC-UHFFFAOYSA-N 444.966 5.812 0 40 IKAB Clc1cccc(COc2nc3ccccc3nc2/C=C\c2ccc(Cl)cc2Cl)c1 36092274 LZNYSEQTPGZFJX-LUAWRHEFSA-N 441.745 7.339 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38849804 AHPPZAWNKLKFIE-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)c(C)c1 57488563 WXLBYNFXCVZJHK-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC(C)c1c(C(=O)NCC(C)(C)c2ccccc2F)cnn1-c1ccc(C(F)(F)F)cn1 60338177 YSDVOQDKBNUJOO-UHFFFAOYSA-N 448.464 5.256 0 40 IKAB CCN(CC)[C@H](C(=O)Nc1cccc(-c2nccn2C)c1)c1cccc(C(F)(F)F)c1 72284642 OHJZWSHFYHCFIX-FQEVSTJZSA-N 430.474 5.128 0 40 IKAB CC(C)(C)OC(=O)NCC1CCC(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)CC1 72326243 CGYUBYWOEBZTLZ-UHFFFAOYSA-N 437.584 5.115 0 40 IKAB biogenic O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2F)C1 72330453 UPNOWJXQNJEUJY-CPJSRVTESA-N 427.539 5.010 0 40 IKAB C[C@H]1CSc2ccccc2N1C(=O)c1oc2ccccc2c1CSc1ncccn1 79025184 GQNQICHOSQGVFV-HNNXBMFYSA-N 433.558 5.656 0 40 IKAB COc1cccc(-c2c[nH]c([C@H]3CCCN3C(=O)C[C@@H](c3ccccc3)C(F)(F)F)n2)c1 83973740 MOOGGLNLGMTSCW-PZJWPPBQSA-N 443.469 5.485 0 40 IKAB Cc1ccc(NC2=C[C@@H](c3ccc(F)cc3)N(c3ccc(C)c(Cl)c3)C2=O)cc1Cl 103764485 NZTAJQITXZDQBZ-QHCPKHFHSA-N 441.333 6.833 0 40 IKAB C[C@H]1C[C@@H](C)[C@@H](C)[C@H]2C3=CC[C@@H]4[C@](C)(CC[C@H]5C(C)(C)[C@@H](O)CC[C@]45C)[C@]3(C)CC[C@@H]12 105024113 APXOQDSIAUQKAU-VVYJOBGCSA-N 426.729 7.881 0 40 IKAB COc1ccccc1-c1ccc2c(N)c(C(=O)Nc3ccc(C(F)(F)F)cn3)sc2n1 215708815 VVEOJQPEHOEXOA-UHFFFAOYSA-N 444.438 5.220 0 40 IKAB Cc1c([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 222588260 WBMPAONHIFAGGM-SBQFXOPASA-N 437.012 6.040 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1Cc1ccccc1 223397913 FWKPAVSEICHQKE-XZOQPEGZSA-N 445.979 5.093 0 40 IKAB CC(C)CSc1nnc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)s1 223829229 PHWBNTTYTXPURD-UHFFFAOYSA-N 433.986 5.771 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223859475 BHLHPGOAARXGIO-LJQANCHMSA-N 441.015 5.311 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCCC2)N1c1ccc2c(c1)OCO2 224022074 ANDSZHVFDSUOOD-BJKOFHAPSA-N 446.576 5.294 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(F)c(Cl)c3)cc2C)cc1 224208924 WTQSQVYLXTYINP-UHFFFAOYSA-N 446.931 5.173 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 224344928 DXCMCNORTNKWMQ-DQEYMECFSA-N 440.572 5.317 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 225528469 BDNHINQMPFOESG-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 225690384 GZFYMCNJEILCIJ-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB C[C@H](COc1ccccc1)NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225783712 YNOOGQSLQGAGRH-LJQANCHMSA-N 446.616 5.969 0 40 IKAB O=C(c1snnc1-c1ccc(Br)cc1)N1CCC(Cc2ccccc2)CC1 225785108 YPKYKDHCRNJYFC-UHFFFAOYSA-N 442.382 5.063 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CCOCC2)c2ccccc12 225944690 YCBDSZKCSLOHME-UHFFFAOYSA-N 433.504 5.043 0 40 IKAB Fc1ccc(C[n+]2cc(Br)cc(-c3nc4ccccc4s3)c2)c(Cl)c1 226308506 YGODPGRWPDWCQZ-UHFFFAOYSA-N 434.741 5.854 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)c2ccccc2)c1 257206990 BFTBKYJLBLXPMS-SFHVURJKSA-N 437.923 5.515 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2[C@H]2CC[C@H](CNC(=O)CCc3ccccc3)CC2)on1 257336808 YQCRVFCFKRARNL-HZCBDIJESA-N 446.595 5.586 0 40 IKAB CCCCC1=NN(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@](O)(C(F)(F)F)C1 408562844 DZPVQRCRVBBFRQ-JOCHJYFZSA-N 434.458 5.217 0 40 IKAB O=C(O)Cc1sc(Nc2ccc(C(=O)O)cc2)nc1-c1ccc(Oc2ccccc2)cc1 408892797 CNTAQXYVXWGDCU-UHFFFAOYSA-N 446.484 5.671 0 40 IKAB CC(C)N1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O 409054323 IXXZGNUXNJKZDC-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccc(Cl)cc2)cc1Cl 409111712 CCRAFMKUGSVGBT-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCOc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)cc3)c3ccccc3n2)cc1 409182818 OFJBTXICKSTQPB-UHFFFAOYSA-N 429.447 5.479 0 40 IKAB CC(=O)[C@@]1(C)[C@H](C)C[C@@H]2[C@@H]3C[C@H](F)[C@@]4(Br)C[C@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 1547212316 AYBBUNORLTWYBV-TWNMXYPJSA-N 443.441 5.697 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)c2ccco2)cc1 868793 ATGYVSWQBDXTNE-HXUWFJFHSA-N 433.323 5.139 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(CCC1=CCCCC1)C(=O)c1ccco1 1380030 PBTBTVYTLCIZST-QFIPXVFZSA-N 426.582 5.474 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1c(-c2ccccc2)c2ccc(O)cc2oc1=O 1638615 KIZWXLXXALRDDF-UHFFFAOYSA-N 436.261 5.180 0 40 IKAB COC(=O)c1c(NC(=O)COc2ccc(C(C)(C)c3ccccc3)cc2)sc2c1CCC2 1768789 MJCIONQOPAYDLP-UHFFFAOYSA-N 449.572 5.367 0 40 IKAB O=C(Cc1cccc2ccccc12)N1c2ccccc2Sc2ccc(C(F)(F)F)cc21 2059466 VKGPZNCSMXMHSY-UHFFFAOYSA-N 435.470 7.231 0 40 IKAB CCc1ccc2nc(-c3ccccc3)cc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)c2c1 2079820 MKTJKASZDJKYQL-UHFFFAOYSA-N 438.527 6.282 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Nc3nc(Cl)nc(Cl)c3Cl)c2)cc1 2153199 NMKFIVORIUGRKY-UHFFFAOYSA-N 443.743 5.290 0 40 IKAB COc1ccccc1-c1c(C(F)(F)F)oc2cc(OC(=O)c3ccccc3)ccc2c1=O 2247291 JNSJPFYVUOUDOF-UHFFFAOYSA-N 440.373 5.707 0 40 IKAB biogenic O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Cl)c(Cl)c2)N1Cc1ccco1 2407502 LDJCJVRUYSUWBE-IBGZPJMESA-N 426.255 5.438 0 40 IKAB Clc1cc(Cl)c(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1 2521600 PJHBSPRZHUOIAS-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB in-vitro O=C1OC(c2cc(Cl)ccc2Cl)=N/C1=C\c1ccccc1OCc1ccccc1F 2744274 BDCKGEXWQLIENX-JAIQZWGSSA-N 442.273 6.056 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccccc3C)n2C)c2ccccc2)c1 3294925 XWDBWFQHKLJNFH-HSZRJFAPSA-N 442.588 5.879 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)NCc1ccc(Cl)cc1 3362142 IESJHHKPJCZRSR-UHFFFAOYSA-N 446.963 5.268 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1C 4903340 RPCGJJVGQBZWLJ-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 6601207 SCPOKYIUOGBHQZ-UHFFFAOYSA-N 437.326 6.860 0 40 IKAB C[C@@H](NCc1cc(Cl)ccc1OCc1ccccc1F)C12CC3CC(CC(C3)C1)C2 8534854 DPTIMYNFFUCOND-ZFGQVMFLSA-N 427.991 6.753 0 40 IKAB Cc1cccc(OCCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c1 8753319 VJMXICPCJMERFH-QHCPKHFHSA-N 439.559 5.330 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NC[C@H](c1ccsc1)N1CCCCCC1 8863176 KFDDKRFTGQOBPE-GOSISDBHSA-N 427.397 5.167 0 40 IKAB Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(Oc2ccc(Cl)cc2Cl)n1 8888059 YNPLJDWCYJTOEU-AREMUKBSSA-N 427.740 5.845 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21 9007996 OVLGPJFWFLOUQN-UUOWRZLLSA-N 444.478 5.125 0 40 IKAB O=C(Nc1ccccc1Br)C1CCN(Cc2c(F)cccc2Cl)CC1 9063663 RUMIOYJGVWNHDK-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1cccc2c(=O)c(-c3ccccc3)c(NC(=O)c3ccc(Br)cc3)oc12 9129589 NQDSUERZMJAYQJ-UHFFFAOYSA-N 434.289 5.783 0 40 IKAB Cc1ccc(COc2ccc(C(=S)N3CCN(c4cccc(Cl)c4)CC3)cc2)cc1 9189233 LOUPJFBIPFLUHT-UHFFFAOYSA-N 437.008 5.725 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3c(F)cccc3F)nc12 9326541 CTSBJSPTAHYOEU-UHFFFAOYSA-N 445.878 5.479 0 40 IKAB CCCCCc1ccc(-c2ccc(-c3noc(-c4ccc(CCCCC)cc4)n3)cc2)cc1 9659839 RDWCQEOZCHLFAQ-UHFFFAOYSA-N 438.615 8.536 0 40 IKAB Cc1ccc2c(CSc3nc4ccccc4c(=O)n3-c3ccccc3C)cc(=O)oc2c1 9664941 YKGZGQOFFDOMPB-UHFFFAOYSA-N 440.524 5.401 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1Cl 9810478 NVXPAYMNWGPNPX-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)n1C1CC1)c1ccc(F)c(F)c1 9867653 VIJDMQNRHQFLFZ-UHFFFAOYSA-N 435.883 5.099 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2cc(C)cc(C)c2s1 10067197 QFJWRGJLHFLQQZ-UHFFFAOYSA-N 438.622 5.511 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)Cc4ccccc4)cc3)nc2c1 10119769 BZPMHNNWWMTADD-UHFFFAOYSA-N 435.321 6.001 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)Nc1cccc2ccccc12 11003828 MJFIEKUHQLFRJZ-UHFFFAOYSA-N 426.314 5.013 0 40 IKAB COC(=O)[C@H](Oc1cc2oc(=O)c(Cc3ccccc3)c(C)c2cc1Cl)c1ccccc1 11866686 WTRZDAIVJOLJNV-XMMPIXPASA-N 448.902 5.639 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)c(Cl)c1)c1ccc(Cl)cc1Cl 12495361 VCUAZPLKDOQJNF-UHFFFAOYSA-N 438.561 5.536 0 40 IKAB Cc1ccc(Oc2ccccc2NC(=O)CCNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 12600039 MTHHANWDPJTHGC-UHFFFAOYSA-N 432.564 5.449 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)c2cc1C 12799226 AKZLEHUMYBUXLY-UHFFFAOYSA-N 428.513 5.205 0 40 IKAB CCN(C(=O)CSc1nn(-c2ccc(C)c(Cl)c2)c(=S)s1)c1ccccc1 13134395 PPKNFACLCWYOSC-UHFFFAOYSA-N 436.027 5.770 0 40 IKAB Fc1ccc(-c2cnc(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)o2)cc1 13148252 NAAWSCPJZPKTPW-UHFFFAOYSA-N 446.482 6.160 0 40 IKAB COc1ccc2cc(CN(Cc3cccc(C)c3)C(=O)c3ccc(C)cc3)c(Cl)nc2c1 13562043 SZUGFEQBLXWPGC-UHFFFAOYSA-N 444.962 6.356 0 40 IKAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(OC)cc3)c2)cc1 13590821 LRYRDADHYNXCMH-XLVZBRSZSA-N 443.543 6.755 0 40 IKAB CCn1c(SCC(=O)Nc2nc(-c3ccc(Cl)cc3)cs2)nnc1-c1ccco1 14059893 DXPXJVHCFCEUDJ-UHFFFAOYSA-N 445.957 5.066 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)Nc1ccccc1S 14270096 LEVIEOSXKBPZDU-SOFGYWHQSA-N 449.384 6.069 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc(Br)cc(Br)c2OC)cc1 14272855 TYVJNTXKTAFYKP-NSHDSACASA-N 441.163 5.986 0 40 IKAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 15227423 MRUOIWLNCJRXQQ-JZTSUELASA-N 445.518 5.313 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 15974818 SDEAXBDLFYOJET-SCLBCKFNSA-N 448.589 5.029 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)cc1 16216634 JBBMYRLBFGSCAT-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1cc2sc(NC(=S)NC(=O)c3cccc(Br)c3)nc2cc1Cl 16284308 RBXFGTWEHAYYMS-UHFFFAOYSA-N 440.775 5.147 0 40 IKAB O=C(CN(C1=NCCCCC1)c1ccc2c(c1)OCO2)c1ccc(-c2ccccc2)cc1 16768982 YWJMZZXBSHZUNU-UHFFFAOYSA-N 426.516 5.744 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2Cl)sc2c1CC[C@@H](CC)C2 17094761 ZNMMCAWKRANSEW-LLVKDONJSA-N 426.365 5.999 0 40 IKAB C[C@H](CCN1CCN(CC[C@@H](C)CC(C)(C)C)C1C[C@@H](C)CC(C)(C)C)CC(C)(C)C 19319873 ZBJYUIRAFQUXKQ-UBFVSLLYSA-N 436.813 8.317 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 19634702 JPYXQDUYABZACS-UHFFFAOYSA-N 441.579 5.951 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 20462661 BZCAATWEOWICLO-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-c2nnc(Sc3ncnc4scc(-c5ccc(F)cc5)c34)o2)cc1 20667121 LICVHQCSVRHAPY-UHFFFAOYSA-N 436.493 5.707 0 40 IKAB O=C(Nc1nnc(C2CCCCC2)s1)c1cc(-c2ccncc2)nc2ccc(Cl)cc12 22529133 KIHSHDMUWOKLQI-UHFFFAOYSA-N 449.967 6.102 0 40 IKAB Brc1cccc(-c2noc(CN3CCC[C@H]3c3nc4ccccc4s3)n2)c1 23968710 MOXDAEAERKMGSV-INIZCTEOSA-N 441.354 5.446 0 40 IKAB O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 25322233 HQCPRVXMEUQSJK-UHFFFAOYSA-N 443.931 5.094 0 40 IKAB O=C1CN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccc(F)cc2)c2ccc(Cl)cc2N1 28047968 BGMZBUOCBSEQBL-NRFANRHFSA-N 429.278 5.316 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115009 CWWRURWEUMKDNK-UHFFFAOYSA-N 437.899 5.820 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)oc2c1 32127005 LSJGPRAFADNUTH-UHFFFAOYSA-N 430.247 5.605 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38834699 HFOJDGCMNXHJMC-CQSZACIVSA-N 431.285 5.863 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)CC1 39767491 IIFCJLHYVDBBBG-UHFFFAOYSA-N 434.967 6.291 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3cccc(Cl)c3)no2)c1 49001784 HGCAUEPRHBHSSZ-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB COc1ccc(-c2noc(-c3ccc(SCC(=O)Nc4cccc(C)c4C)nc3)n2)cc1 49405674 QXBNHCLEISSDJP-UHFFFAOYSA-N 446.532 5.155 0 40 IKAB COc1cc([C@@H](C)NC(=O)c2cnn(C(C)C)c2C(F)(F)F)ccc1OCC(C)C 60337212 IFDVQYIOTCTAQK-CQSZACIVSA-N 427.467 5.017 0 40 IKAB CSc1ccccc1NC(=O)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64788025 MCFAHYGRXPWRRT-UHFFFAOYSA-N 427.938 5.051 0 40 IKAB Cc1ccc(Cn2c3ccc(F)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1C 72328615 RINZKWDZHCNJPO-UHFFFAOYSA-N 445.925 5.857 0 40 IKAB CC(C)Oc1ccc([C@H]2CC(=O)Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c32)cc1 96221238 FWSBBNGRABZQOL-OAQYLSRUSA-N 442.467 5.394 0 40 IKAB biogenic COc1ccc(-c2csc(C3=C(O)CN(C4CCCCCCC4)C3=N)n2)cc1OC 102729564 DMNZFCADPMJXOV-UHFFFAOYSA-N 427.570 5.502 0 40 IKAB O=C(c1cccs1)[C@H]1C(c2ccc(Cl)cc2Cl)=NO[C@@]12C(=O)Nc1ccccc12 102898466 RISIPFOKZDLDST-DYESRHJHSA-N 443.311 5.136 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(C)c(Cl)c2)cc1Br 106965096 LAECMTUNXDQZNH-UHFFFAOYSA-N 447.598 6.574 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)c3ccccc3)[C@]12C 118924348 ISNRJHYMWLUQIR-VENVTHHDSA-N 436.592 5.639 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OC(C)C)CC[C@]4(C)[C@H]3CC[C@@]21C 118924516 CZSGREWSSMQULY-AGBLQDLRSA-N 428.745 8.821 0 40 IKAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2ccccc2)C1=O 214180388 BUGBKSACFDEUJS-LDADJPATSA-N 432.339 5.474 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)c1ccc(C(C)(C)C)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O 219119484 YCMCZPYFWUEFGX-XXBNENTESA-N 444.641 5.023 0 40 IKAB CCCCc1ccc(NC(=O)[C@@H](CC)N(c2ccc(F)c(Cl)c2)S(C)(=O)=O)cc1 222507214 MMPPHNLRGKUVNE-HXUWFJFHSA-N 440.968 5.005 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3cccc4ccccc34)cc2C)cc1 222855508 PAQUVXAXSNOFJJ-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223452390 NXNGJNKNWJCQTB-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C(C)C)c(C)c1 223998935 LAOOGOCTUXZVEH-QFIPXVFZSA-N 442.606 5.293 0 40 IKAB O=C(NCC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 224123266 QFWAHBSWIQYLAV-DEOSSOPVSA-N 443.012 5.424 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 224137858 BJBLPHDCXVOJCY-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)(C)C 224174603 CTJFMJYDEPFYMQ-UHFFFAOYSA-N 447.531 5.230 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc4ccccc34)c2)cc1 224304275 BRNIVDHRSSZDAT-UHFFFAOYSA-N 441.483 5.466 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441161 RFRIOTNEXZIQFI-XZOQPEGZSA-N 432.499 5.328 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1C1CCCC1 225008582 MQHGUUQMXCNBOK-FCHUYYIVSA-N 445.617 5.397 0 40 IKAB CCOc1ccccc1CNC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225443209 BTSZZYHIOREDBM-UHFFFAOYSA-N 446.616 6.100 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 225557540 KMHSGXQINKSJIU-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC[C@@H](C)C2)cc1 225696123 SBIZTRCUQCYSGO-JOCHJYFZSA-N 432.649 5.603 0 40 IKAB CC(C)c1nc(COc2cccc(Br)c2)c(C(=O)O)cc1-c1ccccc1F 257255595 KIDBFHKAIMDKHL-UHFFFAOYSA-N 444.300 6.051 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@@H]2Cc2ccccc2)nc1COc1ccccc1Cl 257293666 QQPWHXPMFXMYPS-GOSISDBHSA-N 437.927 5.009 0 40 IKAB COc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c(OC)cc1Cl 408574599 IUPLICHBUOANQJ-UHFFFAOYSA-N 448.371 6.555 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)c(C)c2)cc(Br)c1OC 408623408 TVTATPNUXZLCDT-UHFFFAOYSA-N 443.135 5.180 0 40 IKAB COc1cc(OC)cc(-c2nnc(S/C(=C\c3cccc4ccccc34)C(=O)O)o2)c1 408633751 OYIIBGZRTPDAOG-NDENLUEZSA-N 434.473 5.125 0 40 IKAB CCc1ccccc1NC(=O)COC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 408667736 KHLCMPBDVMHCGO-UHFFFAOYSA-N 440.499 5.268 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2-c2cccc(Cl)c2)cc1Cl 408696246 YOURBYOYNFBYKL-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 408727947 SQXOFSOWAIQRHI-WOJGMQOQSA-N 447.354 5.262 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c(C)n1C1CCCC1 409128339 FDGJCOVTYKENMG-JMIUGGIZSA-N 449.403 6.763 0 40 IKAB Cc1ccc(-c2cc(C(=O)OC(c3ccccc3)c3ccccc3)c3ccccc3n2)cc1 409182476 LOECIXNXBOYBNB-UHFFFAOYSA-N 429.519 7.157 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Br)cc2)cc1 842368 YXCKJJVXQZQVKN-UHFFFAOYSA-N 439.309 5.352 0 40 IKAB Cc1c(-c2ccccc2)nc2c(C)cc(Br)cc2c1C(=O)NC[C@H]1CCCO1 993391 NTDXPIZKXJAMKF-GOSISDBHSA-N 439.353 5.190 0 40 IKAB Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)c1 1352867 RQLXHHDZMFWBOG-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2Cl)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 1383237 VBPUWSOQKBHDAT-MRXNPFEDSA-N 426.756 5.078 0 40 IKAB CCCc1c(C(=O)OCC)c(-c2ccccc2)c(CCC)c2c1-c1cccc3cccc-2c13 1573404 VUBAMNOADRQNNH-UHFFFAOYSA-N 434.579 8.236 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccc(Cl)cc2c1-c1cnn(-c2ccccc2)c1 2051043 NQSLFHPHAUDBLM-UHFFFAOYSA-N 433.294 6.823 0 40 IKAB CC(C)[C@@H]1Cc2c(sc3nc(-c4ccccc4)nc(SCc4ccccc4)c23)CO1 2215076 KGZMXOXGGBEULS-FQEVSTJZSA-N 432.614 6.748 0 40 IKAB O=C(O)CC1(CC(=O)Nc2ccc(Br)cc2C(=O)c2ccccc2)CCCC1 2240268 NAXRVXIGAULTLG-UHFFFAOYSA-N 444.325 5.044 0 40 IKAB CSc1nc(NCCCN(C)C)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2445472 BZMLYOZJYCXSJW-UHFFFAOYSA-N 429.659 5.012 0 40 IKAB COc1cccc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2-c2ccc(C)cc2)c1 2446034 LSDGWPPGRFTBBE-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(Br)cc2Br)cc1C 2652337 VPEMPUOJSGBUHI-UHFFFAOYSA-N 429.177 5.559 0 40 IKAB CN(Cc1ccccc1)C(=O)c1ccc2c(=O)n(Cc3ccccc3Cl)c(=S)[nH]c2c1 2969727 XEIDERRCINRARV-UHFFFAOYSA-N 449.963 5.033 0 40 IKAB CC(C)(C)c1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 3013381 ATAFUTMUWPYHAS-UHFFFAOYSA-N 430.544 6.720 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cccc(-c2ccc(OC(C)=O)cc2)c1 3216573 PAWXOHAQTWSCPX-UHFFFAOYSA-N 445.515 5.199 0 40 IKAB aggregator CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2cccc(C)c2)cc1 3220428 MCYIIFUCBHXMGD-UHFFFAOYSA-N 444.560 5.372 0 40 IKAB CCCCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1 3220589 VCVNYCFNUBAANL-UHFFFAOYSA-N 432.549 5.517 0 40 IKAB Fc1cc(Br)ccc1CSc1nnc(-c2ccccc2)n1Cc1ccco1 3285212 HRZAHYUPPKKCFC-UHFFFAOYSA-N 444.329 5.780 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4)ncnc32)cc1 3658773 AGVARKJZARVJDK-UHFFFAOYSA-N 437.568 6.779 0 40 IKAB CN(C[C@H](O)COc1ccc(C(C)(C)c2ccccc2)cc1)[C@@H]1CCCc2ccccc21 6906556 SWALGPRZWCNYDD-LBNVMWSVSA-N 429.604 5.762 0 40 IKAB O=C1c2cc3c(cc2[C@H]2C[C@H](OCc4ccccc4)CC[C@@H]2N1Cc1ccccc1)OCO3 8382457 DSTSQAROMMWVIN-PFATUAPWSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro Cc1c(Cl)ccc2c(C(=O)Nc3cccc4ccccc34)cc(-c3cccs3)nc12 8384440 YYTFWYBNSVXKGZ-UHFFFAOYSA-N 428.944 7.331 0 40 IKAB CC(C)Cc1nc2sc3c(SCC(=O)Nc4ccccc4)ncnc3c2c2c1CCC2 8738892 KJTVGRYBPAHFCB-UHFFFAOYSA-N 448.617 5.658 0 40 IKAB COc1ccccc1-n1c(COc2ccccc2-c2ccccc2)nnc1SCC(C)=O 8753089 UPQDRCBFQQDFKG-UHFFFAOYSA-N 445.544 5.203 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8828149 KZEYDMUPSFSTFZ-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB COc1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OC(=O)OCC(C)C)cc1OC 9042423 XIJKUFLFQURTFS-UHFFFAOYSA-N 432.856 5.302 0 40 IKAB COc1ccc(-c2c[nH]nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1OC 9160125 DRGWJIPMGOVBNW-UHFFFAOYSA-N 430.504 5.662 0 40 IKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9190024 QXKBOPHSPFAFFG-DFBJGRDBSA-N 428.532 5.619 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 9410375 BGTQDQSOFJSZIH-ZFWWWQNUSA-N 428.773 5.181 0 40 IKAB CCCN(C(=O)Nc1ccc(OC)cc1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9606990 ZLNVGGYCSCKSGY-UHFFFAOYSA-N 449.620 7.315 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)c(Cl)c2)nc2c(-c3ccc(Cl)cc3)cnn12 9934695 LGCPAKWPGOHTKR-UHFFFAOYSA-N 442.655 7.042 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(Cl)cc3Cl)o2)cc1 10045095 VQCRGBSMXSKXCH-UHFFFAOYSA-N 433.291 5.071 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)cc1C 10112441 XXUXDVKLLKNHSY-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nnc2c(Cl)cc(Cl)cn12 10202589 NXAMHVKGDUOONM-QGZVFWFLSA-N 446.359 5.235 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 10367261 HBBLVAVOMOGENH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1c(CC(=O)NCc2cccc(Cl)c2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 11691867 WYCQEDNOXFHMJD-UHFFFAOYSA-N 437.923 5.657 0 40 IKAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccc(C)cc1 11852697 KBWJURRELOLCCV-HHHXNRCGSA-N 434.543 5.854 0 40 IKAB CCCc1cc(-c2n[nH]c(CCCC(=O)O)c2-c2nc3ccccc3s2)c(O)cc1O 11867635 ZSKDUTDVCSQTNC-UHFFFAOYSA-N 437.521 5.124 0 40 IKAB CCOc1ccc2nc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)sc2c1 12378200 MBGJEEGIOLWKJP-UHFFFAOYSA-N 437.571 6.286 0 40 IKAB C[C@@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12550044 GDELKDSADKXXGL-OAHLLOKOSA-N 448.523 5.068 0 40 IKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccc2c(c1)OCCCO2 12567235 ZLSTZMZANWTTHH-UHFFFAOYSA-N 425.488 5.261 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)cc1 13026643 VBJIEPQWOOMZKI-RUZDIDTESA-N 446.547 5.352 0 40 IKAB c1ccc([C@H](CNc2nc(-c3cccnc3)nc3sc4c(c23)CCC4)N2CCCC2)cc1 13042127 JLCNPGBUHVCDFQ-NRFANRHFSA-N 441.604 5.491 0 40 IKAB Cc1cc2c(cc(C(=O)O[C@@H](C(=O)NC3CCCCC3)c3ccccc3F)n2C)s1 13561561 TYOLJONMTPHJGR-OAQYLSRUSA-N 428.529 5.034 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)c(C)c1 13568273 DOBYSFWPGBAPOX-UHFFFAOYSA-N 444.608 5.344 0 40 IKAB CC[C@H](NC(=O)c1cc(Br)ccc1OC(F)F)C12CC3CC(CC(C3)C1)C2 13959840 RRNBEUCIJOYMHA-GZDOSPBESA-N 442.344 5.775 0 40 IKAB FC(F)(F)[C@H]1CCCN(Cn2nc(Cc3ccccc3)n(-c3ccccc3)c2=S)C1 14206691 WPWMKVFRPUZUEL-SFHVURJKSA-N 432.515 5.226 0 40 IKAB CC(=O)c1sc(NC(=O)c2ncc(Cl)c(Cl)c2Cl)nc1-c1ccccc1 14658344 YPDLDYJWSUIPKN-UHFFFAOYSA-N 426.712 5.620 0 40 IKAB O=C1[C@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 17185523 QRYJUSMKRBSNCZ-HPUNYJORSA-N 449.575 6.613 0 40 IKAB Cc1cc(-c2cnc(-c3ccccc3)nc2C2CCN(C(=O)c3ccccc3C)CC2)on1 19236758 QLGFCLRIPRIWSP-UHFFFAOYSA-N 438.531 5.435 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 19236816 ADGJBNCZRZMHMZ-NBGIEHNGSA-N 435.518 5.052 0 40 IKAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 19376460 RFKQQJFKJABLQX-GOSISDBHSA-N 430.533 5.202 0 40 IKAB COc1ccc(-c2nc3ccccc3nc2N2CCN(c3ccc(Cl)cc3)CC2)cc1 19798562 PORFMRQWLQSCRN-UHFFFAOYSA-N 430.939 5.285 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20042266 AOTKJOZNUUHWMC-NIYFSFCBSA-N 430.573 5.260 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 20493006 DDHVFIUOLHZIBT-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4ccc(Cl)cc4)ccc32)cc1 20766042 FFYMDPMYTSJBKT-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCn1c(SCC(=O)N[C@@H]2CCSc3ccc(Cl)cc32)nnc1-c1ccccc1 32843056 NXVWZPAUBYGRMS-QGZVFWFLSA-N 445.013 5.064 0 40 IKAB Cc1ccc2nc(COc3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc3)cc(=O)n2c1 33068188 DYBBKPALOXYVJE-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB CC(C)c1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(Cl)c3Cl)C2=O)cc1 35418873 BRBNMUZYQNKAKN-LICLKQGHSA-N 449.359 5.792 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 35671350 NNVQQSHNAWDONZ-UHFFFAOYSA-N 426.498 5.185 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 39757600 ZZPYCIGHNIPSPZ-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB CCCCOc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 57317323 ZCBWRTCCESRSLG-UHFFFAOYSA-N 444.856 5.038 0 40 IKAB CCOCCCn1c(SCc2cccc(C)c2)nc2c(-c3ccccc3)cn(C)c2c1=O 57519928 VXDJISYOPBAVNF-UHFFFAOYSA-N 447.604 5.429 0 40 IKAB Cc1ccc([C@](O)(CCNC(=O)c2cc(C)n([C@@H](C)c3ccccc3)c2C)C(F)(F)F)o1 58440040 XSZICCRPAXQMHX-GAJHUEQPSA-N 448.485 5.186 0 40 IKAB O=c1c2sccc2nc(SCCc2ccccc2)n1CCc1ccc(Cl)cc1 71327642 NNEIITAEPCNOAO-UHFFFAOYSA-N 426.994 5.689 0 40 IKAB CCOc1ccc(N(C(=O)CCC2CCCC2)C2CCN(CC(F)(F)F)CC2)cc1 72271960 RMEHIVJTCBRSQI-UHFFFAOYSA-N 426.523 5.415 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(C)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1ccccc1C 72314638 HQZHGPGOTBPKFK-VWLOTQADSA-N 435.527 5.510 0 40 IKAB O=c1c2[nH]cc(-c3ccccc3)c2nc(SCc2cccc(F)c2)n1Cc1ccccc1 73686194 DAQGICDJIPPIPL-UHFFFAOYSA-N 441.531 5.871 0 40 IKAB Cc1ccc(NC(=O)N2CCSC[C@H]2c2ccc(Cl)cc2)c(Br)c1 78814357 YMQLJUMRFNKDCJ-KRWDZBQOSA-N 425.779 5.733 0 40 IKAB Cc1nn(C)c2ncc(C(=O)Nc3cc(C(F)(F)F)ccc3NCc3ccccc3)cc12 79096652 HULIOPXDLOMDLC-UHFFFAOYSA-N 439.441 5.160 0 40 IKAB CCOC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1-c1cc(OC)c(OC)cc1C2 95474032 HRBLTILNSYVBRD-UHFFFAOYSA-N 443.565 5.422 0 40 IKAB CC(C)c1noc(-c2ccccc2NC(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)n1 96346769 UYZIIWPVRBVIDS-UHFFFAOYSA-N 447.922 6.345 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc3ccccc23)C(=O)N1c1ccc(F)cc1 102707026 XDVFYFCTFGIXLK-CCDWMCETSA-N 438.458 5.030 0 40 IKAB COc1cccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4c(OC)cccc4[C@H]3C2)c1 103177084 WOAILKNGXYOOAL-RDGATRHJSA-N 432.545 5.668 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 216353025 LEFLNVULYIHGMW-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 222738288 UWWICHIEBHSOOV-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 222791920 LTECIUXJVHBEQT-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(C)cc2)o1 223048367 GHTPDWRTFBYSEM-YADHBBJMSA-N 439.606 5.143 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 223351594 JGRRGTVLQUDTRB-QFIPXVFZSA-N 429.004 5.221 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1cc(C)cc(C)c1C 224277817 INRJIZVBXPODCS-UHFFFAOYSA-N 444.358 6.759 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224315533 IRTSXGRTWXHWQY-UHFFFAOYSA-N 441.483 5.466 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 224476395 OJGIWCTZTLUVHR-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224518848 MXHBEFGBTRABKV-JOCHJYFZSA-N 447.044 5.402 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224519073 PEUDOXLSXXDRAE-ROUUACIJSA-N 446.395 5.091 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1S(=O)(=O)Nc1ccccc1 224953897 RCFLPONBAVPEKS-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 225543993 UATDRISEFDVWSI-RDGATRHJSA-N 438.612 5.185 0 40 IKAB Cc1nc(CC2CCN(C(=O)CC3CCCCC3)CC2)cc(Nc2ncc(C)s2)n1 257207684 BITPHJLLVDRDDF-UHFFFAOYSA-N 427.618 5.045 0 40 IKAB CC(=O)N[C@]12CCO[C@@H](c3ccccc3Oc3ccccc3)[C@@H]1C[C@H]1C[C@H]2[C@@H](C)NC1(C)C 257251605 JRLAXWKBBQEJAI-OQSGDYFVSA-N 448.607 5.228 0 40 IKAB S=C(NCc1ccccc1Cl)c1ccccc1OCc1ccc(Cl)c(Cl)c1 408573201 IZTMUDBWMBBXHR-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCCc1nc(S/C(=C\c2cccc(OCc3ccccc3Cl)c2)C(=O)O)n[nH]1 408632893 UTXIBXDRQZROHK-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 408635452 BMACDLGQNPIPDW-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 408644044 CRZQFUZBMACLTK-UHFFFAOYSA-N 448.881 5.798 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 408644853 HURDDCAQHHUNHY-UHFFFAOYSA-N 447.840 5.673 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2cc(Cl)ccc2C)cc1 408698840 SEIBEQGZTIXYKM-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cccc(Cl)c1Cl 408704817 TXCRKEARBCTDBT-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 408708940 VNAHNWMICBXWET-NRFANRHFSA-N 432.951 5.031 0 40 IKAB Cc1cc(C)c(CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c(C)c1 408750607 PHYSILOBEIHHGI-UHFFFAOYSA-N 432.614 7.075 0 40 IKAB O=C(O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccc(OC(=O)c3ccccc3)cc1)N2 408994206 HGKFFDYBDDXTEX-HFHBXGEPSA-N 439.511 5.901 0 40 IKAB O=C1/C(=C/c2ccc(OCc3cccc(F)c3)c(Cl)c2)NC(=S)N1C1CCCCC1 409083164 UPKMXVPYSPTMLW-MOSHPQCFSA-N 444.959 5.448 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(OC)c2)cc1 409263923 IPURFTJEKIZMLP-UHFFFAOYSA-N 438.955 5.849 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)cc1 409381761 WBJCVGHWYKTFCJ-UHFFFAOYSA-N 444.560 5.494 0 40 IKAB CC(C)CCN1CCOCCOc2ccc(-c3ccncc3)cc2Cc2cccc(c2)C1 643565923 MURYBXDPXLXKHY-UHFFFAOYSA-N 430.592 5.597 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 648811 UIHYTMZRWBZHNJ-UHFFFAOYSA-N 443.576 5.185 0 40 IKAB CCOC(=O)c1oc2cc(OCc3ccccc3F)ccc2c(=O)c1-c1ccc(OC)cc1 728013 PXAIAEQTIKTQMG-UHFFFAOYSA-N 448.446 5.363 0 40 IKAB biogenic COc1ccc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1 879794 MUPDTKQPBGUGGL-UHFFFAOYSA-N 447.535 5.075 0 40 IKAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3ccccc3Cl)c3c2sc(C)c3C)cc1 924540 ZUMPHQWVSILRNB-UHFFFAOYSA-N 436.964 5.394 0 40 IKAB CCOC(=O)c1c(C)n(CC)c2ccc(OC(=O)c3ccc(Br)cc3)cc12 1103530 VNBZCTIQQSKDFX-UHFFFAOYSA-N 430.298 5.128 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=O)c1cc(Cl)c(OC)c(Cl)c1 1255557 GPPUXZWJZLTXGR-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3)cc2c1 1327164 BLXIFHABNSCEKA-UHFFFAOYSA-N 425.532 5.633 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCCC2)c2ccco2)cc1 1336093 QZXKCWVSXKBYBL-XMMPIXPASA-N 436.577 5.415 0 40 IKAB Cc1sc(NC(C)(C)C)nc1-c1ccc2c(c1)CCN2S(=O)(=O)c1ccccc1 1354330 BPZUHXWSCMCTER-UHFFFAOYSA-N 427.595 5.080 0 40 IKAB O=C(Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1)c1cccs1 1363195 CGEKTVHKEQYBQN-UHFFFAOYSA-N 435.936 5.289 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccc(F)cc1 2256809 KRSKMWXPJDSVOD-LEWJYISDSA-N 448.548 5.761 0 40 IKAB CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2407471 XZKWLYBIFGTLHH-JOCHJYFZSA-N 431.463 5.568 0 40 IKAB COc1ccc(CCNc2ncnc3c2oc2nc(C(C)C)c4c(c23)CCC4)cc1OC 2440182 AFUNGINHOYTDEQ-UHFFFAOYSA-N 432.524 5.055 0 40 IKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccccc2Cl)o1 2444830 MIZXUVKJOMJXDA-AWEZNQCLSA-N 429.995 5.334 0 40 IKAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc(Oc3ccccc3)c2)N2C(=O)CCSC2=N1 2486107 UBBLXTZPYAAYHQ-JOCHJYFZSA-N 436.533 5.081 0 40 IKAB O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccco2)oc1SCc1ccc(F)cc1 2721844 BSWWNAZJRAGKHU-UHFFFAOYSA-N 433.457 5.338 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(C)ccc3c2Cl)sc2c1CCCC2 2779469 XFXRXMYKIGPFHG-UHFFFAOYSA-N 433.982 6.232 0 40 IKAB CCc1ccc([C@@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2795091 FITKBPLAYVCAJC-CYBMUJFWSA-N 434.392 5.969 0 40 IKAB O=C(Cc1cccc2ccccc12)OCC(=O)N(CCc1ccccc1)Cc1ccccc1 3225895 YGXLHBUFDWLICP-UHFFFAOYSA-N 437.539 5.197 0 40 IKAB COc1ccc2c(CCNc3nc(-c4ccc(C5CCCCC5)cc4)cs3)c[nH]c2c1 3304662 WEBIRXXNCQLXPE-UHFFFAOYSA-N 431.605 7.002 0 40 IKAB O=C(CCSc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 3333140 UTFWQDLJDWCHCH-UHFFFAOYSA-N 446.981 5.262 0 40 IKAB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)Nc1cccc(Cl)c1 3373555 MARYVZGUZODKMT-ZDUSSCGKSA-N 425.966 6.131 0 40 IKAB C[C@H]1CCCN(Cn2nc(-c3c[nH]c4ccccc34)n(-c3ccc(Cl)cc3)c2=S)C1 3377798 AHKLMLSYKNJUSD-INIZCTEOSA-N 438.000 5.894 0 40 IKAB Cc1cccc(C)c1NC(=O)CNC(=O)COc1ccc(Cl)cc1C1CCCCC1 7199053 KKOBDJIPDDWBQS-UHFFFAOYSA-N 428.960 5.138 0 40 IKAB O=C1N[C@@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8721979 GMOYKFKZDHZAQV-HXUWFJFHSA-N 444.387 5.467 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccccc3SC[C@H]3CCCO3)sc2C)cc1 8728244 JUCQLZNBBHQROL-GOSISDBHSA-N 440.590 5.651 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F)c1ccc(Cl)cc1 8810059 AYPCPZJDMKUWGA-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCCc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)cc1 8844896 XAUCFKQJIQKJHY-UHFFFAOYSA-N 445.950 6.001 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1C[S@](=O)c1ccccc1Cl 8857025 FYBCWGCVYXJOTG-MUUNZHRXSA-N 429.324 6.278 0 40 IKAB Cc1ccc2nc(Cl)c([C@@H]3CC(c4cccs4)=NN3C(=O)c3cccs3)cc2c1 9075321 YUIOHYBZNMRMFV-SFHVURJKSA-N 437.977 6.311 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2cccc(Cl)c2)c1 9250125 JVJZJCHPUJBJCU-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2cccc(Cl)c2)N1CCc1ccccc1 9293087 CIURACXCVRHDIH-DEOSSOPVSA-N 429.907 5.224 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(SCc2cccc(F)c2)s1 9366832 JNVCIKXIUQUADO-UHFFFAOYSA-N 444.340 5.294 0 40 IKAB CCOc1cc(/C=C/c2nc3c(ccc4ccccc43)s2)ccc1OCC(=O)N(C)C 9491045 XOTMFMLLTNKTCE-GXDHUFHOSA-N 432.545 5.486 0 40 IKAB CC(C)N(C(=O)CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)C(C)C 9570616 QFWBQDLPUVOGAL-UHFFFAOYSA-N 443.016 5.249 0 40 IKAB COc1ccc(-c2nnc(Nc3ccc(OCc4ccccc4)cc3)c3ccccc23)cc1 9680417 IQMKGTPPAQTDGY-UHFFFAOYSA-N 433.511 6.628 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 9684133 HFZWIAYLKUSZJU-OAHLLOKOSA-N 429.501 5.145 0 40 IKAB COCCn1c(-c2ccc(Cl)cc2)cnc1NCc1c(F)cccc1Br 9850017 SDTDFZUXCYAHAF-UHFFFAOYSA-N 438.728 5.364 0 40 IKAB COc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc(OC)c1OC 10041671 BLVOKSYYSRUUMY-JOCHJYFZSA-N 440.879 5.147 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(Cl)c1)N(c1nccs1)C3=O 10233038 VSOJBSCXKKZVPS-KRWDZBQOSA-N 443.311 5.615 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc(CN(c3cccc(Cl)c3)S(C)(=O)=O)cc2)c1 10333955 BWLXOIVBEJAGPR-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1cccs1 10434546 PYUQOWJVTZAOTK-JOCHJYFZSA-N 426.545 5.689 0 40 IKAB COc1ccc(-c2c(C)c3ccc(OCC(=O)Nc4ccc(C)cc4)c(C)c3oc2=O)cc1 11865154 HMFVNOZLGSXKHP-UHFFFAOYSA-N 443.499 5.411 0 40 IKAB biogenic CCOc1ccc([C@@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN23)cc1 12124321 JXASTVOPELZWBD-RSXGOPAZSA-N 430.504 5.345 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)c1 12621342 YATCEIFXXWWWSI-UHFFFAOYSA-N 433.558 5.993 0 40 IKAB O=C1C(Cl)=C(Nc2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 12623891 DDUJCAOTIRDLRY-UHFFFAOYSA-N 449.643 5.444 0 40 IKAB COc1cc(SC)ccc1C(=O)N[C@@H](Cc1nc2ccccc2n1C)c1ccccc1 12628685 HIGAKEDMWRBMLJ-NRFANRHFSA-N 431.561 5.018 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc(Br)cc1 12635001 RZTJBBJVDLJQHC-UHFFFAOYSA-N 438.321 5.306 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccccc3Cl)cc12 12644575 PNLUWQKBRLKEEM-UHFFFAOYSA-N 444.962 5.683 0 40 IKAB Cc1nc(COc2ccc(C(=O)N[C@@H](C)c3ccccc3Br)cc2)cs1 12819074 BHSVGXZKIOWRJJ-ZDUSSCGKSA-N 431.355 5.284 0 40 IKAB CCN(C(=O)[C@H](C)Sc1nnc(-c2cccnc2)n1C1CC1)c1cccc2ccccc12 12873930 VDHMUBQDCLIENZ-KRWDZBQOSA-N 443.576 5.362 0 40 IKAB CCCN(CC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1)Cc1nnc(-c2ccco2)o1 12914674 SMBXTYCYDITXRG-UHFFFAOYSA-N 446.507 5.281 0 40 IKAB Clc1cc(CSc2nnc(-c3ccccc3Br)o2)cc2c1OCCO2 13113059 FLSHUEJNHHXSJQ-UHFFFAOYSA-N 439.718 5.216 0 40 IKAB Cc1ccc(N[P@]2(=O)C3=C(N4CCCCC4)CC(C)(C)CC3=NN2c2ccccc2)cc1 13303000 UAOKUYBEMUCFFA-JGCGQSQUSA-N 448.551 6.994 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3C)cc2)c(C)c1 13936289 FWZGGEJQZJIAPU-UHFFFAOYSA-N 439.606 5.530 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)o1 13955748 NVGWFWDGRSKZOW-UHFFFAOYSA-N 430.529 6.138 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(F)cc3)ccc2Cl)c1 14153814 KWCNGWSFMIRGMG-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413315 OUQZTNPTAASPMI-RUZDIDTESA-N 432.951 5.893 0 40 IKAB CC1CCN([C@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)c2ccco2)CC1 15860074 WAUVMBRNMIEXTM-HSZRJFAPSA-N 433.552 5.016 0 40 IKAB O=C(OCc1cc(Cl)cc2c1OCOC2)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 16043511 ADJVSAKRCBLMEG-LJQDGHHOSA-N 438.951 5.788 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1ccc(-c2nc3ncccc3o2)cc1 16431635 BKQUNOFSZLINDD-UHFFFAOYSA-N 448.693 5.868 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2ccncc2)n1Cc1ccccc1 16773958 HFKCIVAIOTWEEA-LJQANCHMSA-N 443.576 5.125 0 40 IKAB COc1cccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)c1 17097303 OPYWOONNKQYAHO-UHFFFAOYSA-N 430.979 7.161 0 40 IKAB COc1ccc(Cn2nc(-c3ccc(OC)cc3)c(Cl)c2-c2ccc(OC)cc2)cc1 17099260 XAARCDJNTMPIMV-UHFFFAOYSA-N 434.923 5.945 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 19014391 NEXFORKBUORCEF-FFMDSGJWSA-N 439.603 5.297 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1ccccc1SCc1c(Cl)cccc1Cl 20031821 LIDRWRSJHSWXRY-UHFFFAOYSA-N 437.779 7.583 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)sc2c1 20412358 HGTNKGQJRIEMOX-DHZHZOJOSA-N 438.892 5.648 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1c(Cl)cccc1Cl 20481416 KKCNURAMJSRUOI-HNNXBMFYSA-N 426.409 5.934 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)c(Br)c2)cc1 20611597 KRLWQXVSFYLVAM-BJMVGYQFSA-N 429.358 5.061 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1OC 20899475 MUYNGFHFYNJBLD-NRFANRHFSA-N 448.950 5.791 0 40 IKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(Br)c1 22072682 LATPFTPCDOAJHY-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB O=C(C1CCN(c2ccc(-c3ccco3)nn2)CC1)N(Cc1ccccc1)c1ccccc1 22494772 NANMDCALROIMNU-UHFFFAOYSA-N 438.531 5.186 0 40 IKAB C=CS(=O)(=O)c1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1OC 26963443 FTVDYRCRFZOSNL-UHFFFAOYSA-N 442.345 5.386 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3cc(C)ccc3C(C)C)cs2)cc1 28293820 WTOQBBMGVCPZDF-GOSISDBHSA-N 438.593 5.377 0 40 IKAB CCOc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 33380364 DJCCINLEWOWRAV-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cc2cc(Cl)ccc2o1 33666599 ZLMBABFOBUVWRR-UHFFFAOYSA-N 438.767 6.964 0 40 IKAB COc1cc(C(=O)Nc2ccccc2Br)ccc1OCc1ccc(C)cc1 33763246 QQLZHLTXUUAZJU-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB Cc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1ccccn1 35289296 DCUWGUFEIPEKJI-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)c(Cl)c1)CCC2 35396188 HYMNETWKYSHJQA-UVTDQMKNSA-N 441.314 5.061 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(Cl)cc3)c2)cc1 44950035 FYRFETRTOPLCFI-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(Cl)cc4)o3)n2)cc1 49001750 MUZSVTGAELYFMP-UHFFFAOYSA-N 446.937 5.346 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@H](c2ccc(OCc3ccc(Cl)cc3)cc2)S1 85412272 GUNPRQCFUCYDTQ-FQEVSTJZSA-N 427.957 5.876 0 40 IKAB Cc1csc(NC(=O)N(Cc2ccccc2)C[C@H](O)c2ccccc2C(F)(F)F)n1 96012632 LHLLIDJKLYEJET-SFHVURJKSA-N 435.471 5.238 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)cc1OC 106718881 LVVOJLAEVFVJIB-HZRSJKMUSA-N 447.556 6.262 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CC(C)(C)CC(=O)Nc3ccccc3)ccc21 199423812 QJDGGIUFHPMLBJ-UHFFFAOYSA-N 427.548 6.198 0 40 IKAB Cc1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)Nc2ccc(OC(F)(F)F)cc2)cc1 215702273 YWFYOEQZOUSAPN-QNGOZBTKSA-N 440.421 5.303 0 40 IKAB CC(C)C[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccccc1 216436177 ZQSJEDNJIAIIMN-FQEVSTJZSA-N 432.402 6.029 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 222487997 CJKZXJUNTPAXHQ-WZONZLPQSA-N 445.003 5.003 0 40 IKAB Cc1ccc(CN(C(=O)CSc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222749482 WLMHDFLLNTULOH-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(C)cc1 223299430 JXSKAKVMQWLERE-XMMPIXPASA-N 438.612 5.185 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3cc(C)c(C)cc3C)cc2)cc1 223426369 CJOSXTMCGIKGTA-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCc1ccccc1)c1ccccc1 223481800 SJKWFTWEMLQKNO-SANMLTNESA-N 432.539 5.055 0 40 IKAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1C 223948667 DSLYGEMOGADBOO-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccc(C)cc1 224122078 HKINTWPBRSOBCF-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cccc(Br)c3)ccc2OC)c1 224252862 CHKHIXMUFVFEDQ-UHFFFAOYSA-N 442.309 5.298 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 224294975 LZDWYUNYDSVJGG-HSZRJFAPSA-N 443.031 5.514 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224342458 SENYIBDCMFMEDV-DQEYMECFSA-N 430.621 6.128 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 224392333 MLWYNGVBAPOMPG-DNQXCXABSA-N 443.551 5.200 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 224424818 YARGDXUGJWKWNC-UHFFFAOYSA-N 436.577 5.191 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1 224525723 MOHMPKKHDCKQQE-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 224643933 OGJXQDJBHFGVGF-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1Cl 225687815 MDUAWSQOHJDHNM-GOSISDBHSA-N 448.972 5.114 0 40 IKAB S=C(NCCOc1ccccc1Cl)Nc1ccc(CSc2ccccc2)cc1 225779961 YBXMKLSEYGXWIN-UHFFFAOYSA-N 429.010 5.998 0 40 IKAB C[C@@H]1CCC[C@@H](OC(=O)c2ccc(Br)c(-c3cc4ccccc4oc3=O)c2)C1 226357786 ALBBLMVTAYQRKN-RHSMWYFYSA-N 441.321 5.958 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@H]2[C@H](C)CCCC(C)C)C1 256379265 ACGNVBRAISEVDK-SGRTUCKHSA-N 426.685 7.880 0 40 IKAB Cc1ccc(C2(C(=O)N3CCC[C@@H](Cc4cccc5cccnc45)C3)CCOCC2)cc1 257243644 IHXJLVTVPZWRCI-QFIPXVFZSA-N 428.576 5.073 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3c(C)c(C)n(-c4ccc(OC)cc4)c3C)N21 260769176 KJZUNXWGCBOWGE-WVQWTBLQSA-N 446.620 5.786 0 40 IKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 260833574 ZEVNGPVGDXOFLX-YOEHRIQHSA-N 425.787 5.736 0 40 IKAB COc1cc(C(=S)NCCc2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 408578329 XNKMLEZKYYMAIN-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1cc2c(ccc3ccccc32)o1)c1ccccc1 408630081 NHVRRQJEYADPEL-GOSISDBHSA-N 434.495 6.329 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1 408647774 XKUKAJNIOBGTDS-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccc(CSc3ccccc3)cc2)cc(C)c1Cl 408706054 UESNRRYQFPEKGC-SFHVURJKSA-N 425.981 6.655 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2ccc3ccccc3c2)cc1 408724220 IEOKWLQQAJLUNF-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C 408816167 XXMRWMAMRHTFQD-UHFFFAOYSA-N 445.992 5.845 0 40 IKAB CCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)Nc2cccc(C)c2)C1=O 408931193 IHMJIHCXPBQVNM-HMAPJEAMSA-N 446.528 5.222 0 40 IKAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2c(C)cc(C)cc2C)=N1 408987191 DZWZUXCGNBZPSQ-FQEVSTJZSA-N 448.419 5.612 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1=O 409061326 ZFHRGYSYNXWJFX-UNOMPAQXSA-N 445.418 6.215 0 40 IKAB CCOc1c(Cl)cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409122863 CAYVVDJEHRBPFQ-XMHGGMMESA-N 431.941 5.416 0 40 IKAB O=C1S/C(=C/c2cccn2-c2ccc(Br)cc2)C(=O)N1CC1CCCCC1 409138607 FIQWVARZQSXCDP-CPNJWEJPSA-N 445.382 5.856 0 40 IKAB O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1ccc(Cl)cc1 409167469 MCXLIEXEDCCPCZ-YBEGLDIGSA-N 433.678 6.004 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)cc1 409254275 WTJAUJWLQMFUAF-HYARGMPZSA-N 432.907 5.320 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)ccc3C)C2=O)c2ccccc21 409362158 SBRMZJMNGWTLHP-XKZIYDEJSA-N 447.560 5.343 0 40 IKAB Cc1c(NC(=O)N2c3ccccc3Sc3ccccc32)c(=O)n(-c2ccccc2)n1C 887825 VAKJGPUXLIMSFQ-UHFFFAOYSA-N 428.517 5.319 0 40 IKAB Cc1c(Cl)cccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 1430347 MSQVQQLQHKMQJJ-GOSISDBHSA-N 433.914 5.706 0 40 IKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4cccc(Cl)c4Cl)cc3n2)cc1 1517052 QSQVQWGIWFZTJF-UHFFFAOYSA-N 441.318 5.663 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(S[C@@H](C)C(=O)OCc4ccccc4Cl)c23)C1 1778549 QIYPBDGZBPLTQB-STQMWFEESA-N 432.998 5.694 0 40 IKAB COc1ccc([C@H](Sc2ccc(Cl)cc2)[C@H]2CCc3ccccc3C2=O)cc1OC 1798838 OSDNTUDUPKOALG-OFVILXPXSA-N 438.976 6.636 0 40 IKAB Clc1ccc(-c2cn3nc(COc4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 1811976 LBFZDOMKHGKIOG-UHFFFAOYSA-N 446.765 6.678 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 1813750 SKBRVCBYFYRUEP-UHFFFAOYSA-N 446.641 6.554 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1cccc(OC)c1)C1(CCCCC1)Cc1ccccc1-2 1820274 PFYFRHQGUOVOQY-UHFFFAOYSA-N 446.616 6.168 0 40 IKAB biogenic CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cc(C)ccc3C)c2c1 2074113 DBKWZFXCOROMFW-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB O=C(NCc1ccc(Cl)c(Cl)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2081339 HNDHVPBSXAEIJE-UHFFFAOYSA-N 447.774 6.854 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)COc2ccc3ccccc3c2)sc2c1CC[C@@H](C)C2 2087474 UBQLZMRNSSWRHG-MRXNPFEDSA-N 437.561 5.609 0 40 IKAB COc1ccccc1-c1nc(C(=O)NCCc2ccc(F)cc2)cc2c1[nH]c1ccccc12 2114725 GPZZJQLGPMNJDN-UHFFFAOYSA-N 439.490 5.503 0 40 IKAB biogenic CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(C)cc1 2275960 RBIMZWMZRRRBST-UHFFFAOYSA-N 427.616 6.809 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccc(F)cc2)cc1 2364461 JOWYHJXSHXKJBI-UHFFFAOYSA-N 438.553 5.098 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2758533 RGSRZFKDRJWART-QGZVFWFLSA-N 428.963 7.629 0 40 IKAB CCOc1ccc(Nc2nc(S(=O)(=O)c3ccc(Cl)cc3)c(Cl)s2)cc1 3192885 XOVQQCLJOHSCSV-UHFFFAOYSA-N 429.350 5.425 0 40 IKAB Cc1ccc(-n2c(C)nnc2SCC(=O)Nc2ccc(OCc3ccccc3)cc2)cc1 3345561 ZBUMGOZVDDXWBQ-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)C(C)C 3457150 UZHLGAXZCWFODO-UHFFFAOYSA-N 428.989 5.325 0 40 IKAB C/C=C(/CC[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H]4[C@H](C)[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 4074031 LPZCCMIISIBREI-JXMPMKKESA-N 426.729 8.191 0 40 IKAB biogenic,in-vitro CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)C1 4124990 WLNPPJZIDCKHHE-COESMTMPSA-N 436.478 5.177 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 5458128 CICIKCBBPXYFIK-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(C)cccc12 5837809 CQQAUKSQKSIDAD-RUZDIDTESA-N 425.016 6.799 0 40 IKAB COc1ccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 8385077 GZIJERBGZJUSKF-QFIPXVFZSA-N 433.533 5.815 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NC1CCCCC1 8442696 NDCSEGKPMQNFEE-UHFFFAOYSA-N 449.378 5.854 0 40 IKAB Cc1ccc2nc(NC(=O)c3nc(SCc4ccccc4F)ncc3Cl)sc2c1 8613769 IKOQYXMSRXEXGH-UHFFFAOYSA-N 444.944 5.732 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccccc2)cc1 8788284 CCPHSMWWGFTDJW-UHFFFAOYSA-N 436.487 5.252 0 40 IKAB COc1cc(NC(=O)COc2ccc(Cl)cc2)ccc1NC(=O)c1ccccc1Cl 8832316 XNEUDGXVOPIFLD-UHFFFAOYSA-N 445.302 5.272 0 40 IKAB CC(C)c1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2)cc1 8836439 RRTSBXCCYPTWJV-UHFFFAOYSA-N 436.512 5.437 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c1C 8926545 XUKCWQNFJNCBEY-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB COc1cc(OC)c(NC(=O)c2ccc3c(c2)C[C@H](c2ccccc2)OC3=O)cc1Cl 9245236 URXYKJKASOEPSB-HXUWFJFHSA-N 437.879 5.064 0 40 IKAB COc1cc(CN(C(=O)Cc2ccc(-c3ccccc3)cc2)C2CC2)ccc1OC(F)F 9314477 JUVGDNSHELEBEY-UHFFFAOYSA-N 437.486 5.697 0 40 IKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccc(Cl)cc3)c3ccccc32)cc1 9391862 INFFHNQEHOJXEX-UHFFFAOYSA-N 434.992 6.325 0 40 IKAB Cc1coc2cc3oc(=O)c(CCC(=O)NCCc4c[nH]c5ccc(F)cc45)c(C)c3cc12 9435695 HODWBABJJOJERI-UHFFFAOYSA-N 446.478 5.068 0 40 IKAB COc1cc(Cl)c(C)cc1NC(=O)CSc1nnc(Nc2ccccc2F)s1 9507995 VUKVIZUKRMETBW-UHFFFAOYSA-N 438.937 5.122 0 40 IKAB CCn1c(CC(=O)Nc2cc(C)ccc2C)nnc1SCc1c(F)cccc1Cl 9582502 DFDRZCVLSGLGAO-UHFFFAOYSA-N 432.952 5.181 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)c1C 9591730 MHKPEGBBXSQFQF-KRWDZBQOSA-N 431.463 5.826 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2ccc(F)cc23)cc1OC 9676054 CGJVROWYIVTGAV-UHFFFAOYSA-N 433.870 6.050 0 40 IKAB COc1ccc(Cl)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 9724220 PYZIEEWRSMCTQO-UHFFFAOYSA-N 436.364 5.800 0 40 IKAB O=C(CSc1nc2ccccc2o1)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9794814 SOASNYLUQCXJOC-OAHLLOKOSA-N 425.560 5.421 0 40 IKAB CCOc1cc(C(=O)N(CC)c2nc3c(C)cccc3s2)cc(OCC)c1OCC 9986313 VYUPTDQTLMAUNJ-UHFFFAOYSA-N 428.554 5.468 0 40 IKAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)n1C1CCCCC1 12493872 IDCCOHCQVTYUIH-LJQANCHMSA-N 434.609 5.802 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)o2)cc1 12569684 OQQXSKJMHYGEEM-UONOGXRCSA-N 438.578 6.135 0 40 IKAB CC(C)(C)c1ccc(COC(=O)c2cccc(S(=O)(=O)N3CCc4ccccc43)c2)cc1 12644742 JQFUDVKEXMVQJW-UHFFFAOYSA-N 449.572 5.093 0 40 IKAB CCOc1ccc(-n2c(S[C@H](C)c3nc(C)no3)nnc2-c2cccc(Cl)c2)cc1 12747768 WAUYMNRVLCTFIV-CYBMUJFWSA-N 441.944 5.531 0 40 IKAB COCCn1c(S[C@@H](C)C(=O)c2cc(C)ccc2C)nnc1-c1ccc(Cl)cc1 12768839 YERLUOUSWYYLIK-INIZCTEOSA-N 429.973 5.225 0 40 IKAB COc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1Br 12911337 NXZZNVBYDKCTGH-GOSISDBHSA-N 434.380 5.369 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccccc1Cc1ccccc1 13110150 UWDPZEZKKKGAAF-UHFFFAOYSA-N 440.572 5.466 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3ccccc3c2)cc1Br 13627963 PKJIGGRPHNCTPM-UHFFFAOYSA-N 429.339 5.128 0 40 IKAB Cc1cc(SCc2nnc(-c3ccccc3Br)o2)nc2c(C)cccc12 14086478 UXWWLZACTYHIHE-UHFFFAOYSA-N 426.339 5.956 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)c2C(N)=O)C1 14273335 YWXIWPJNSJBPKB-JTQLQIEISA-N 449.359 5.791 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccc(Br)o2)c(C(F)(F)F)c1)c1ccco1 14367044 QLAMVQKDRJJSKW-UHFFFAOYSA-N 443.175 5.159 0 40 IKAB C[C@@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F 14419934 NEYUZGKGZRHQBN-QGZVFWFLSA-N 432.470 6.097 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)c2)cs1 14778835 OQXKRZVVKDCLBT-FEAKQIBJSA-N 446.494 5.940 0 40 IKAB O=C(Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl)C1CCCCC1 15906472 RJKNWBVFPYXRMK-UHFFFAOYSA-N 427.353 5.313 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o2)c(C)c1 15974911 XYVRKMORVGYQSH-QGZVFWFLSA-N 448.589 5.029 0 40 IKAB COc1cc(CNCc2cccs2)cc(Br)c1OCc1ccccc1F 16195878 VHXCUEKEOSCIDR-UHFFFAOYSA-N 436.346 5.527 0 40 IKAB Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccccc1F 16449533 DQLGGTVOEICSIH-UHFFFAOYSA-N 432.308 5.639 0 40 IKAB CN1CCc2c(sc(NC(=O)c3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1 16837159 DMJWWDZAEZETPQ-UHFFFAOYSA-N 439.993 5.918 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2ncc(-c3cccc(Br)c3)o2)cc1 16841083 IHPQCFHVQJOVFJ-UHFFFAOYSA-N 431.311 5.038 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc5c(c4)OCCO5)cc3)nc2c1 17095838 ONDQNCPGYURNRU-INIZCTEOSA-N 428.488 6.032 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)c(C)c1 17099603 CNLISRHJZYGUME-UHFFFAOYSA-N 435.515 5.439 0 40 IKAB c1ccc2c3c(cc(CNCCNCc4cc5c(c6ccccc46)CCCC5)c2c1)CCCC3 19364939 FHKUOAVORKIRNZ-UHFFFAOYSA-N 448.654 6.630 0 40 IKAB Cc1ccc(Cc2ccc([C@H]3CN(C(=O)c4ccc5nc(C)sc5c4)CCO3)nc2)cc1 19692227 KZZPTIRAOCHLNG-XMMPIXPASA-N 443.572 5.113 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(Cl)cc1)C3 20632596 WLRZHEDDZAPROS-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB CCOc1c(Cl)cc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1OC 24977963 WQWVHEOAKFEUOK-LJQANCHMSA-N 433.982 5.658 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 27015802 IFWQEPZBUQMECD-YVWKXTFCSA-N 435.326 5.154 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc2ccc(OC)cc2s1 27563461 WUZPXQWZYSODLQ-RUDMXATFSA-N 433.327 5.118 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)o2)c1 30583285 YGTJDBBMXTYSAU-CQSZACIVSA-N 430.480 5.864 0 40 IKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)Nc1cccc(-n2cc[nH]c2=S)c1 31564530 NJYOZICUBXBHMM-UHFFFAOYSA-N 426.448 5.039 0 40 IKAB COc1ccc(-c2nc(CSc3nc(C)c(C)n3C[C@H]3CCCO3)cs2)cc1OC 36395608 IBGDHEFWYGGRCI-GOSISDBHSA-N 445.610 5.112 0 40 IKAB CCCCn1nc(C)c2c(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cc(C3CC3)nc21 36616847 UAYNEEGHLOMCAJ-UHFFFAOYSA-N 448.901 5.924 0 40 IKAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38834903 RMCADPXLRUYLMJ-UHFFFAOYSA-N 442.184 5.607 0 40 IKAB O=C(c1ccccn1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 39142920 ITAUVHRNEHROPH-CWFXWZKHSA-N 429.470 5.797 0 40 IKAB O=C(Nc1ccc(-n2cccn2)c(F)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 40150949 QYXURLBBJJSOBC-UHFFFAOYSA-N 449.795 5.122 0 40 IKAB Cc1cccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)c1 49422193 YGFKGJOAVOFROZ-UHFFFAOYSA-N 430.552 5.401 0 40 IKAB O=C(Nc1ccc(NC2CCCCC2)cc1)c1nn(-c2ccccc2)c(=O)c2ccccc12 58134810 FUOMISMWCORTFW-UHFFFAOYSA-N 438.531 5.383 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1I)c1ccc(Cl)cc1F 58174998 VZFIFZGPDJUPKY-UHFFFAOYSA-N 443.565 5.355 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N[C@@H](C)CCc1ccc(Br)cc1 59988142 YPPXPDAREPAYLU-AWEZNQCLSA-N 446.776 5.348 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2ccccc2)CC1 72345030 NWDPYSQPOZHFJJ-UHFFFAOYSA-N 427.592 5.098 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(CCCOc2ccc(F)cc2)C1 72352492 YEXSEJQXOFPYMZ-QGZVFWFLSA-N 426.557 5.001 0 40 IKAB Cc1cc(Cc2cccc(Cl)c2)cc([C@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 72354025 VXUAPGKWALFUDF-FQEVSTJZSA-N 448.998 5.256 0 40 IKAB COCc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4ccccc4F)cc(C)n3)C2)cc1 72354141 MJNUYBIWOCCLSV-DEOSSOPVSA-N 432.539 5.286 0 40 IKAB C[C@H](c1nc(Cc2ccccc2)no1)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 78969118 LOVRTXUDUVRQHC-MRXNPFEDSA-N 449.505 5.269 0 40 IKAB O=c1c([C@@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)c(O)oc2ccccc12 87724191 NZOWVZVFSVRNOR-SHQCIBLASA-N 444.530 7.028 0 40 IKAB COc1cccc(-n2cnc3c2[C@H](c2ccc(OC(C)C)c(OC)c2)SCC(O)=N3)c1 95474465 SADGVVTVZCBHMF-QFIPXVFZSA-N 439.537 5.101 0 40 IKAB O=C(N[C@H](C(=O)O)c1cccc(C(F)(F)F)c1)OCC1c2ccccc2-c2ccccc21 95748957 ZEOKRQSOCRHGCY-NRFANRHFSA-N 441.405 5.370 0 40 IKAB Cc1ncc(CNCc2ccco2)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116445 YLZUVSHHXNCFTP-UHFFFAOYSA-N 426.472 5.281 0 40 IKAB biogenic CCc1cc(CNC(=O)c2sc3ccccc3c2[C@H]2CC[C@H](CN(C)C)CC2)on1 100658935 HIFHMUNLLDVJCJ-CALCHBBNSA-N 425.598 5.217 0 40 IKAB CC1(C)CC[C@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](O)C(C)(C)[C@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3 100769404 BZNIIOGSANMIET-HMNNMNEQSA-N 442.728 7.238 0 40 IKAB O=C(Nc1nc2n(n1)[C@H](c1ccc(Cl)cc1)C=C(c1ccccc1)N2)c1ccc(F)cc1 101008942 ARDADIUTSHCDKZ-NRFANRHFSA-N 445.885 5.379 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCc1ccc(Cl)cc1Cl 106970690 IIARVPSESQJUPP-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N(C)[C@H](c1csc2ccccc12)[C@H]1C[C@@H]1C 107508375 GTPJOUCVMBDGOE-PTRWSTAQSA-N 446.616 5.593 0 40 IKAB CC[C@H](NC(=O)COc1ccc(C(C)(C)C)cc1Br)c1ccc(C)cc1C 218886003 SDDZKODCGDLQGH-FQEVSTJZSA-N 432.402 6.010 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 222455401 QWZLOBPANBZLNH-HSZRJFAPSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 222508815 PCSKMPSDESHIMP-JOCHJYFZSA-N 447.044 5.463 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222604999 RUQXSPULNSNIPD-HNHYXYPQSA-N 438.778 5.095 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1ccccc1Cl 222615144 CSWGDLZFKXCQKH-WMZHIEFXSA-N 429.004 5.037 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCCc2ccc(Cl)cc2)cc1 222680072 LVUNNZNWQCYAMC-JWGURIENSA-N 438.980 5.230 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 222776952 VBAHQUIJIGWIEQ-LLVKDONJSA-N 448.177 5.006 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(F)cccc1Cl 222862811 BKBPKCOMVAITAV-AWEZNQCLSA-N 439.358 5.007 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)c1 222967562 CDNPCPIQXRTYDV-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 223267549 TZEJXEWMKAWBGY-QHCPKHFHSA-N 438.612 5.219 0 40 IKAB Cc1c(Br)cnc(NC(=S)NCc2ccc(-c3ccccc3)o2)c1Cl 223909457 YAONCFUTVDIRCW-UHFFFAOYSA-N 436.762 5.553 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCOCC2)c1Cl 224016076 MKFDEHHOTYWYCE-UHFFFAOYSA-N 444.815 5.385 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224155676 ITRDTWDTMCXGQG-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 224181951 NGKZJUUQJJLESS-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB Cc1cc(C(=O)Nc2cccc(C)c2C)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224216535 BVTXCRMLINUJGQ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCC1 224430058 VHIQZIJEQDASCR-BJKOFHAPSA-N 434.584 5.931 0 40 IKAB CCCOc1ccccc1CCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224599484 BQAFOQKOOHPUCU-NMWGTECJSA-N 448.588 5.057 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc2ccccc2c1 224641225 IQCJEHBSUCPTNQ-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 224849450 QWYJBNILNPDAEE-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB Cc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(I)c1 225017027 FGOCDBBHPUCMQS-UHFFFAOYSA-N 439.602 5.524 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225051402 LBENKSXWOSFLIC-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225369343 SXWPRQQJEWTGHE-XMMPIXPASA-N 441.015 5.529 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1ccc(C(C)C)cc1 225580199 HPFVJSBXNXRRHX-NVQXNPDNSA-N 436.640 5.773 0 40 IKAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225796967 UWEGINCEDZSVAF-UHFFFAOYSA-N 431.879 5.192 0 40 IKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(CCc2ccc(Cl)cc2)CCCC1 225869337 JPPBLSHBKXZUKY-UHFFFAOYSA-N 443.056 6.893 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(N)cc3Br)o2)cc1Cl 227148310 PEQADBHXHDQPTA-RMKNXTFCSA-N 431.717 5.905 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccccc5Cl)o4)C3)c2c1 257250094 JLAFCIFWCPIGJX-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)cc1 408659800 PMJWNCIKQQAKQK-AGYDLCDTSA-N 434.322 5.093 0 40 IKAB CN1C(=O)/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)N(C)C1=S 409035682 TVYVIZNZRMSICG-GRSHGNNSSA-N 430.360 5.026 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cccc(Cl)c3Cl)CC2)cc1 409054211 SOPPJGKFFZCUSL-UHFFFAOYSA-N 433.379 5.782 0 40 IKAB CCOC(=O)Cn1cc(/C=C2\SC(=O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21 409131734 XURRAZVDFUFZKQ-ODLFYWEKSA-N 440.908 5.099 0 40 IKAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccc4ccccc4c3)c3ccccc23)C1=O 409147981 NYNCYLKIQIOAIF-BUVRLJJBSA-N 442.540 5.526 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409344108 IVMLFUZLJFZIBA-VYVDHXHBSA-N 438.549 5.156 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 409379753 ZDFICXSIIJFYLZ-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB O=C(Nc1cccc(OC(F)(F)F)c1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 583652789 RGMOWKMCHFVBQH-ZCLUNYJNSA-N 435.490 5.012 0 40 IKAB biogenic CCN1CCOc2ccccc2CCCCC2(CCN(Cc3ccc(C)cc3)CC2)C1=O 643563755 RUWJADNGYNZAHS-UHFFFAOYSA-N 434.624 5.231 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccc(Cl)cc5)o4)ccc3o2)cc1 659037 KSGCCLGRCJNWPI-UHFFFAOYSA-N 444.874 6.669 0 40 IKAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2ccccc2)N1Cc1ccccc1Cl 846622 AALYZQNBCPNFQQ-RUZDIDTESA-N 445.975 5.967 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 883842 SJOAUYZJIDJWTH-UHFFFAOYSA-N 431.439 5.096 0 40 IKAB Cc1ccc(NCc2nnc(SCc3ccccc3)n2C[C@@H]2CCCO2)cc1Cl 915565 KZSRCZLAUGUAEV-IBGZPJMESA-N 428.989 5.323 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C(C)C)cc2)sc(C(=O)N(CC)CC)c1C 995070 HSRKEFXKFWHDMM-UHFFFAOYSA-N 430.570 5.091 0 40 IKAB Cc1cccc2cc(CN(Cc3ccc(Cl)cc3)C(=O)NC3CCCCC3)c(=O)[nH]c12 1378244 APXUPIOPVJKNTP-UHFFFAOYSA-N 437.971 5.534 0 40 IKAB COc1ccc(-c2csc(-n3nc(C(F)(F)F)cc3-c3ccc(OC)cc3)n2)cc1 1415688 ZSZCGXCICAQZAG-UHFFFAOYSA-N 431.439 5.699 0 40 IKAB O=C(OC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1 1688531 ARUBUBJNDDZSTJ-UIOOFZCWSA-N 441.571 5.051 0 40 IKAB COc1ccc([C@@H](Sc2ccc(Cl)cc2)[C@H]2CCc3ccccc3C2=O)cc1OC 1798840 OSDNTUDUPKOALG-SQJMNOBHSA-N 438.976 6.636 0 40 IKAB Cc1ccc(N[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(Cl)(Cl)Cl)cc1C 2054644 PQAGEJOCMKESJL-IBGZPJMESA-N 427.803 6.139 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)c(C)c3)c3cc(C)ccc3n2)cc1 2078764 BICLIYULBCKKFU-UHFFFAOYSA-N 439.511 5.875 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3ccc(Cl)cc3Cl)cc2oc1=O 2095989 CDZYSAZTFZIUDZ-UHFFFAOYSA-N 435.303 5.483 0 40 IKAB biogenic Cc1cc(C)cc(N2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)c1 2114428 URGRSJDPVIPDGP-UHFFFAOYSA-N 425.528 5.974 0 40 IKAB biogenic CCCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OCc1ccc(F)cc1 2148608 KHGROIRHVKWIIT-UHFFFAOYSA-N 446.474 5.902 0 40 IKAB biogenic CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(OC)c(COc2cccc(C)c2C)c1 2232855 YUTLANBDBUVLAO-AREMUKBSSA-N 430.548 5.868 0 40 IKAB COc1ccccc1-n1cnc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc21 2588988 RXFBOTRYHARTBU-UHFFFAOYSA-N 443.510 6.388 0 40 IKAB Cc1cccc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1C 2716464 LTMMGWCJCSRNPU-UHFFFAOYSA-N 448.950 5.173 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)NCCc4ccccc4Cl)c3n2)cc1 2769919 DBGTVELEKCRBSZ-UHFFFAOYSA-N 440.881 5.268 0 40 IKAB COc1cc(/C=C2/N=C3CCCCCN3C2=O)ccc1OCc1cccc2ccccc12 3412654 HRDRTMGRNCNVQI-XQNSMLJCSA-N 426.516 5.583 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Oc2cccc(Cl)c2Cl)cc1 3603313 RPQJSHXHOOPFJP-UHFFFAOYSA-N 436.316 5.038 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 6878253 JYAGASXYLQOJBJ-UHFFFAOYSA-N 448.979 6.075 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2cccc(C(C)=O)c2)c2nc3ccccc3nc12 8836548 ZUGYOILTGAAQQO-UHFFFAOYSA-N 430.508 5.096 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(CNC(=S)NC(=O)/C=C/c4ccco4)cc3)nc2c1 9142294 VQWQPUBLMYPLBF-ZRDIBKRKSA-N 445.544 5.415 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(Cc1cccnc1)C3=O 9233714 YDQQCDGZVWKUHV-OAQYLSRUSA-N 430.891 5.204 0 40 IKAB Cc1cccc(Nc2nc(Nc3cccc(C)c3)nc(Sc3nc4ccccc4o3)n2)c1 9246928 KKYXNNBEVKBBPW-UHFFFAOYSA-N 440.532 6.268 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nc2sc(C)c(C)c2c(=O)n1CC 9506740 GJBDSFMJOLYIQI-CJNGLKHVSA-N 443.638 5.728 0 40 IKAB Cc1ccc(Nc2nc(N)nc(COc3ccc(Cl)cc3Cc3ccccc3)n2)cc1 9587763 KZXIATWRJOJLJE-UHFFFAOYSA-N 431.927 5.329 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N1CCc2ccccc21 9737817 XXKFVUVQBKXGEA-INIZCTEOSA-N 429.520 5.506 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CCc1ccccc1-3 10013440 IYJYANWSRNBAKH-UHFFFAOYSA-N 432.614 6.164 0 40 IKAB Brc1ccc(-c2ccc([C@H]3Nc4ccccc4-c4nc5ccccc5n43)o2)cc1 12523844 FUTDCNDCDKCAEB-DEOSSOPVSA-N 442.316 6.698 0 40 IKAB O=C(C[C@H](C(=O)c1ccc(Br)cc1)c1nc2ccccc2[nH]1)c1ccccc1 12547141 YTIVAFWBAOBASC-GOSISDBHSA-N 433.305 5.565 0 40 IKAB Cc1ccc2c(CSc3nc(C)nc4scc(-c5cccs5)c34)cc(=O)oc2c1 12635208 IVFGVYRDDNWVNM-UHFFFAOYSA-N 436.583 6.435 0 40 IKAB CC[C@H]1CCCCN1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 12730244 WINRCYOVCHUVLE-KRWDZBQOSA-N 432.659 5.319 0 40 IKAB O[C@@H](COCc1ccccc1)CSc1ncnc2scc(-c3ccc(F)cc3)c12 12784904 KXTUSTPAKGHQNP-SFHVURJKSA-N 426.538 5.167 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CCc2ccc(-c3ccccc3)o2)cc1 13108403 UKILERIWABKNQN-UHFFFAOYSA-N 440.499 5.779 0 40 IKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C[C@@H]1c1ccco1 13126268 QWJXAQSWBVJBKO-HSZRJFAPSA-N 440.503 5.229 0 40 IKAB COc1ccc([C@@H](CNC(=O)CCCSc2ccc(Cl)cc2)N2CCCCC2)cc1 13134105 ZAPPWBISYXAEGR-HSZRJFAPSA-N 447.044 5.564 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN23)cc(OC)c1OC 13776163 WKLXYFDORGXFTG-AMGIVPHBSA-N 444.531 5.572 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1OCC(=O)N(Cc1ccccc1)Cc1ccco1 14233103 LFFLQWVIYMCZJH-UHFFFAOYSA-N 440.499 5.140 0 40 IKAB O=C(COc1ccc(F)cc1Br)Nc1ccc(-c2nc3ccccc3o2)cc1 14801921 ZNNXVZYXZDUONS-UHFFFAOYSA-N 441.256 5.414 0 40 IKAB COc1ccc(Cc2nc3c4c(C)c(C)n(C5CCCCCC5)c4ncn3n2)cc1OC 15842414 QKDZIVLMHRTGQT-UHFFFAOYSA-N 433.556 5.199 0 40 IKAB CCN(CC)P(=NN=C1C=C(Cl)C(=O)C(Cl)=C1)(N(CC)CC)N(CC)CC 15906498 WWQPXIOMISVRBT-UHFFFAOYSA-N 436.368 5.142 0 40 IKAB Cc1nc2ccccc2nc1SCC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 16265528 RBLNHVSZQHHCSI-UHFFFAOYSA-N 447.947 5.553 0 40 IKAB C[C@@H](NC(=O)CCc1csc(NC(=O)Nc2cccc(Cl)c2)n1)c1ccccc1 16849202 GQWDBYZNCRKGPZ-CQSZACIVSA-N 428.945 5.251 0 40 IKAB O=C1C2=C(C(=O)N1c1ccc(Cl)cc1)[C@H](c1ccc(O)cc1)Nc1ccccc1S2 17099237 ITFCLETXCQQVRB-FQEVSTJZSA-N 434.904 5.132 0 40 IKAB Cc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3ccc(Cl)cc3)c2c1 17121944 WDHFAKQRLGNYIQ-UHFFFAOYSA-N 437.996 6.473 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(=O)c2cccs2)CCC3)cc1 17270896 PCXVCEKMZMQKEE-UHFFFAOYSA-N 434.561 5.772 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3C3CCSCC3)nn21 19343875 XJZNJZYECPMVLA-LZLYRXPVSA-N 442.576 5.637 0 40 IKAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373043 YNNZYNLTXXZTFV-QHCPKHFHSA-N 436.519 5.045 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccccc4)cc3n2)cc1 19638931 JRTQMZIVSBXIMY-UHFFFAOYSA-N 443.576 5.198 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cc(OC)ccc3OC)c2)cc1 19691394 LUQRHXMGAXVHKX-XMMPIXPASA-N 432.520 5.060 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20112583 WVLVECWNTNWDCY-HNNXBMFYSA-N 426.409 5.934 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c(C)c1 20451685 JHYDFXSHWLCPLT-NFQMXDRXSA-N 444.600 5.569 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1nc(-c2ccco2)no1 29737524 PVAWFNUQLPNGPC-OAHLLOKOSA-N 447.495 5.629 0 40 IKAB C[C@@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C1O 36596527 MTZKOBDCISCBKC-FDDCHVKYSA-N 443.503 5.084 0 40 IKAB CC(=O)c1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2OCc2ccccc2)c1 38501228 JDNQXTMMONACKM-UHFFFAOYSA-N 429.451 5.045 0 40 IKAB Cc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@H]2c2cccc(Br)c2)cc1 40485433 YUUSGJHEVSZURO-JOCHJYFZSA-N 434.333 5.810 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1OC 44900147 FRTHPRRZUQYHSL-ZDUSSCGKSA-N 443.993 5.027 0 40 IKAB CC[C@@H](COC(=O)NC1CCCCC1)N1C(=O)CS[C@@H]1c1ccc(Cl)cc1Cl 50073092 RRINXGACOWHPCW-HNAYVOBHSA-N 445.412 5.405 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1[C@H](OC(=O)c1coc(-c2ccccc2)n1)C(F)(F)F 72310742 XKNOWOLUMVPHOX-FQEVSTJZSA-N 441.409 5.605 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccc(OCc4c(Cl)cccc4Cl)cc3)C(=O)O2)c1 96544528 CKEBNJFUUDXFKG-XKZIYDEJSA-N 438.310 6.225 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccc(C(C)C)cc4)C3=C(O)C2)c(OC)c1 102665279 QPJUJBIYVDBKKG-AVRWGWEMSA-N 444.535 5.484 0 40 IKAB CCn1cc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c2ccccc21 106725794 KISRZBSGROLRLV-ODLFYWEKSA-N 441.350 5.660 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(OC)cc2)cc1Br 106964554 MHZKACLCQKNFAU-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1cc2cc(Cl)ccc2o1 108025830 CYVJVHWMJCJVLO-BBRMVZONSA-N 432.977 5.152 0 40 IKAB Cc1ccc(-c2noc(CNC(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)cc1 219775545 WXRXTQFPIUIDNI-UHFFFAOYSA-N 433.895 5.207 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4ccc(C(=O)O)cc4C)o3)N21 222715174 NQTYERVWMZZXBT-WQTXXOFMSA-N 433.533 5.328 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccc(C(C)(C)C)cc1 224187272 ROKQUAZPAHCVKS-UHFFFAOYSA-N 446.547 5.782 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)c1 224230391 JOQKCADTZYHWSI-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1C 224275818 SWAHSJCJQOOXJZ-DQEYMECFSA-N 442.563 5.805 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCCNc1ccccc1 225034138 DFPLHEBKAWVOFG-WOJBJXKFSA-N 429.014 5.271 0 40 IKAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225457618 XOQKCNFVAVGQMQ-UHFFFAOYSA-N 435.778 5.083 0 40 IKAB CCCCOc1c(C)cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)cc1C 225530266 KTBNIIGZSRIQMU-UHFFFAOYSA-N 434.407 7.240 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCC 225611522 ZFPDJLBTGUUMMU-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2cccnc12 225864345 KABICTVIRUGLJQ-UHFFFAOYSA-N 443.374 6.781 0 40 IKAB Cc1cccc(CCC2(NC(=S)Nc3ccc(C)c(N4CCCC4=O)c3)CCCC2)c1 225870277 NRDDTUKCUUPRCH-UHFFFAOYSA-N 435.637 5.662 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccc(F)cc3)OC2)cc1C(F)(F)F 225954275 ZXVFJGWSKGWHSO-UHFFFAOYSA-N 441.421 5.322 0 40 IKAB CC(C)CCC[C@]1(C)Oc2ccccc2[C@H]2OC[C@@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 257254181 KCBHEVNFKTVEKW-UZGGCZOTSA-N 443.628 6.511 0 40 IKAB CC(C)c1ncc(-c2ccccn2)c([C@H]2CC[C@H](CNC(=O)CC[C@H]3CCCO3)CC2)n1 257285731 PINXLDWUMIWHGJ-NJDAHSKKSA-N 436.600 5.011 0 40 IKAB O=C(O)COc1cc(F)c(F)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 257299167 ROZJSBUNGPKNPL-UHFFFAOYSA-N 438.405 5.146 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1c1ncc(Cc2ccccc2Cl)o1 257306609 SVAKWIKNBXUUBA-QHCPKHFHSA-N 431.923 5.834 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)cc1Cl 408547280 YFWAXOJJEJQATA-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1cccc(C(=S)NCc2ccc(F)cc2)c1OCc1c(F)cccc1Cl 408575928 OWHMBXPMYQIEJF-UHFFFAOYSA-N 433.907 5.671 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(Cc2cc3c(cc2Cl)OCO3)C1=O 408599197 FVTHMZRXZNQUSU-DJKKODMXSA-N 431.897 5.094 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 408662869 MWPGMLWWSHUVFF-OAQYLSRUSA-N 427.544 5.588 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 408682639 KZJGZDSFVJVGMO-HOCLYGCPSA-N 429.303 5.091 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2cccc(C)c2)cc1 408695020 ODYRWGFTTHYXFY-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1ccc(CSc2nc3ccc(NC(=O)c4ccc(Cl)cc4)cc3s2)cc1 408750851 SLPLAKJOIZDQOR-UHFFFAOYSA-N 440.977 6.503 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(Cl)cc3)cc2)C(=O)N1CCc1ccccc1 409008438 YNQRLDFQUHVJOI-KQWNVCNZSA-N 449.959 6.198 0 40 IKAB Brc1ccc(COc2ccc(Br)cc2CNc2ccccc2)cc1 409111642 DIACHIDQCGDTIE-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(I)c1OCC 409113568 HIUFKFGEGXVGHP-UHFFFAOYSA-N 445.728 5.663 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccc(COc2ccc(Cl)cc2Cl)o1 409197526 HWENYPTTXALXPK-UHFFFAOYSA-N 441.108 6.180 0 40 IKAB CSc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccccc2)cc1 409351990 VJAWSZJJPUTONO-MHZLTWQESA-N 436.580 6.774 0 40 IKAB CC1(C)CC(=O)c2cc(C(=O)Nc3cccc(-c4ccc5ccccc5c4)n3)c(O)nc2C1 592864573 DVDSGZFIMBHAIZ-UHFFFAOYSA-N 437.499 5.410 0 40 IKAB C[C@H](NC(=O)c1sc2nc(-c3cccs3)cc(C(F)(F)F)c2c1N)c1ccccc1 658699 MLZYQNHMGBVJDM-NSHDSACASA-N 447.507 6.117 0 40 IKAB O=C(NC1CCCCC1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 673868 QGXLRPBMOJPXQK-WCQYABFASA-N 432.899 5.321 0 40 IKAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccc(-c2ccc(Cl)cc2Cl)o1 678284 ASOKMUUFFDRTPN-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3 707077 NEXYBLQQFDKIPC-ZDUSSCGKSA-N 437.590 5.469 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)c2ccccc2)c(Cl)c1 997094 XAKBDUFWLYBBLL-UHFFFAOYSA-N 449.721 5.917 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381851 KCUGNNIYQPFGOV-OAHLLOKOSA-N 425.315 5.576 0 40 IKAB Cc1cccc(Oc2nc(S(=O)(=O)Cc3ccc(Cl)cc3)nc3c2CCCC3)c1C 1398502 SBEARPUPHBSXNJ-UHFFFAOYSA-N 442.968 5.392 0 40 IKAB Cc1ccc(NC(=O)[C@]23C(=O)Oc4ccccc4[C@H]2[C@@]3(C)C(=O)c2ccc(Cl)cc2)cc1 1441870 FYMSBJFVTRXSRW-MZBJOSPHSA-N 445.902 5.179 0 40 IKAB O=C1O[C@H]2C=CC=C[C@@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 1452985 VPISIZKQRYTQNU-KUHUBIRLSA-N 428.435 5.056 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCC(=O)c4ccc(Cl)cc4)ccc3c2=O)cc1 1464062 UTDCCRHKFXXLRZ-UHFFFAOYSA-N 434.875 5.692 0 40 IKAB CCOC(=O)c1ccc(-n2c(-c3cccc(Cl)c3)nc3nc4ccccc4nc32)cc1 2240206 DUNWQFRBBCSERH-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB Cc1ccc([C@@H](NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2315677 IRVFILTVJFSHPH-SANMLTNESA-N 440.543 5.057 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 2446578 FCFWNGIDYXZNGD-HNNXBMFYSA-N 428.989 5.863 0 40 IKAB COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3cccc(F)c3)c2cc1OC 2691929 HTORCXIJKSGKAS-UHFFFAOYSA-N 447.897 6.061 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(O)cc1)N(Cc1ccccc1Cl)C3=O 2704195 PVXRCEXPQMRTLY-QFIPXVFZSA-N 431.875 5.206 0 40 IKAB Cc1c(Cl)cccc1OCc1ccc(/C=C2\N=C(S)N(c3ccc(F)cc3)C2=O)o1 2793745 LDDVSVNAEOQDPZ-ODLFYWEKSA-N 442.899 5.633 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(-c2ccc(C)cc2)nc2ccccc12 3316567 SLGOLWUOMFNIIW-UHFFFAOYSA-N 425.484 5.778 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(-c2cccs2)s1)c1cccc(Cl)c1Cl 3327495 YVZUGKBVOGPUNY-UHFFFAOYSA-N 437.398 7.159 0 40 IKAB Cc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(C)c(C)c2)cc1C 4416846 CAGGSVILUPYNMZ-UHFFFAOYSA-N 436.640 7.398 0 40 IKAB biogenic COc1cccc(NC(=O)CCCCCCCCCCC(=O)Nc2cccc(OC)c2)c1 8427390 NMDGPLOCQUZMCH-UHFFFAOYSA-N 440.584 6.182 0 40 IKAB COc1cccc(-c2nc(CSc3nnc(-c4ccc(OC)c(OC)c4)o3)cs2)c1 8862061 NSTMHYOAICFLLY-UHFFFAOYSA-N 441.534 5.178 0 40 IKAB CCN1c2ccccc2-c2nc3ccccc3n2[C@@H]1c1ccc(I)o1 9160325 ALLYBEGGRVFPSC-HXUWFJFHSA-N 441.272 5.288 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3cc(C)ccc3C)s2)cc1 9218996 MJIBJIPZGXQPJF-UHFFFAOYSA-N 431.608 5.187 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)no1 9451800 IZAPLNXTOJQRJG-IBGZPJMESA-N 441.270 5.454 0 40 IKAB CCCCn1c(SCc2nc(-c3cccc(Cl)c3)no2)nc2ccccc2c1=O 9588772 XMTSLURSEXEFJE-UHFFFAOYSA-N 426.929 5.192 0 40 IKAB CCOc1ccc2nc(SCc3csc(CC(=O)Nc4ccc(C)cc4)n3)[nH]c2c1 9596590 DBMITPQRYUZTSS-UHFFFAOYSA-N 438.578 5.200 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CN(C)[C@H](C)c3nc4ccccc4s3)cs2)cc1 9642468 ZGHURHMUPAEBAI-MRXNPFEDSA-N 436.606 5.435 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1 9683339 KIMBIESREMCHCF-UHFFFAOYSA-N 430.879 5.170 0 40 IKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)Nc1ccc(F)cc1Cl 9703316 HNJRIXXDGLUBMS-UHFFFAOYSA-N 429.926 5.326 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)c1 9924830 FZMKYFUSBIBAQM-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1NC(=O)N[C@H](C)c1cccs1 10035398 MROFKNGAAKLGKK-LSDHHAIUSA-N 428.583 5.883 0 40 IKAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nc2ccc(SC(F)F)cc2s1 10411034 QEKLAFOHJQRMGT-UHFFFAOYSA-N 433.509 5.497 0 40 IKAB Cc1ccc(SC2=C(Nc3ccc(C)c(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 11666826 JNDKGSYEJGWSTP-UHFFFAOYSA-N 448.975 5.942 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cs1 11763245 QDMORSBZQXJSQX-FMIVXFBMSA-N 447.560 5.118 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 12564821 TYUKSYAFNBGIEX-KRWDZBQOSA-N 431.561 5.716 0 40 IKAB Cc1cc(NC(=O)CSc2nc(C34CC5CC(CC(C5)C3)C4)nc3ccccc23)no1 12646022 NMMXWDNIDXKYEX-UHFFFAOYSA-N 434.565 5.125 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1C1CCCCC1)Nc1cccc(Cl)c1 12650040 JWDLJFDMCXRIHZ-UHFFFAOYSA-N 444.963 5.974 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1 12949320 AJDVSJLANYUENZ-FQEVSTJZSA-N 446.856 5.339 0 40 IKAB Cc1nc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)c2c(C)c(C)sc2n1 13119723 PQACTJLXASLYLD-GFCCVEGCSA-N 442.635 5.538 0 40 IKAB CCOc1cc(/C=C/c2ccccc2OC)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12 13540973 JSBRAJIOZGFCRR-DPPKVHKGSA-N 439.555 7.168 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@H](c1ccccc1Cl)O2 13769222 DGMWSJJKDLUBRZ-XXBNENTESA-N 439.298 5.964 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2C)nnc1[C@H](C)Oc1ccccc1 13850148 HCNKNKGYJXRSBR-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc2c(Cl)cccc12 14271139 SGSGERFZJDCYSN-UHFFFAOYSA-N 443.277 6.292 0 40 IKAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)c1ccccc1I 14582981 JOTNXKYNBORICS-UHFFFAOYSA-N 449.210 5.351 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc2sc(-c3ccccc3)c(C)c2c(=O)[nH]1 15379137 SIFLAQXFYPYDIG-UHFFFAOYSA-N 435.574 5.308 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1nc(Cl)ccc1Cl)CC2 16002347 MIROARLMPSCCBE-JOCHJYFZSA-N 443.330 5.194 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2ccc(Cl)cc2)o1 16429526 CZRNXMUUNFPDIC-UHFFFAOYSA-N 448.356 5.990 0 40 IKAB CCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 16681757 RXCIOKQWXULEBL-UHFFFAOYSA-N 433.173 5.843 0 40 IKAB CCCOc1ccc(-c2nonc2NC(=O)c2ccc(OC(C)C)cc2)cc1OCCC 16753427 NJSQBIPXXGRSKB-UHFFFAOYSA-N 439.512 5.354 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccccc1OC 16789003 MOJMJXASGDHXMD-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB O=C(NC(=S)Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc2c(Cl)cccc12 17096244 SBIJBHGKQPZPHO-UHFFFAOYSA-N 428.944 6.191 0 40 IKAB CC(C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(F)c4)c3)nc2c1 17098441 XOZDZDVSFGJUFA-UHFFFAOYSA-N 433.508 5.884 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccccc2F)cc(-c2nc3ccccc3s2)c1O 17101449 JNVHGCNBUUDLDX-UHFFFAOYSA-N 437.521 5.243 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3Cl)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17102760 IGCHSYUNSAKYCG-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB O=C(c1ccccc1F)N1C[C@H](c2ccsc2)[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]21 19347724 USZWDBLMVSLOED-CQOQZXRMSA-N 438.543 5.157 0 40 IKAB O=C1c2cc3ccccc3nc2N[C@@H](c2cc3ccccc3nc2Cl)N1c1ccccc1 20523112 YHQUAQSERDHAAV-RUZDIDTESA-N 436.902 6.208 0 40 IKAB Cc1cc(-c2cc(C(=O)Nc3nnc(CC(C)C)s3)c3c(C)noc3n2)c(C)s1 21996866 JHQUPVGSQQNMSM-UHFFFAOYSA-N 427.555 5.179 0 40 IKAB CCOc1cc(-c2nnc(S[C@H](C)c3nc(C(C)C)no3)o2)cc(OCC)c1OCC 24830877 APSBPJGQQHGPDH-CYBMUJFWSA-N 448.545 5.292 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 30858110 ROGLLDRKEFSNQF-SFHVURJKSA-N 448.868 6.567 0 40 IKAB O=C(Nc1ccc(Br)c(C(F)(F)F)c1)c1ccccc1Oc1ccccc1 32989089 ZCHAPYDKFVFAQJ-UHFFFAOYSA-N 436.227 6.513 0 40 IKAB CCc1ccccc1OCc1nnc(SCc2cc(=O)c3cc(C)cc(C)c3[nH]2)n1CC 33064375 RUTDYVCBYAGPKO-UHFFFAOYSA-N 448.592 5.190 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCCC1)c1sc2cc(Cl)ccc2c1Cl 33409253 FFDQWAANVJMDKT-UHFFFAOYSA-N 439.795 7.104 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3)c(=O)c1n2Cc1cccc(C(F)(F)F)c1 35400606 IWUHXOTUXLCJAR-UHFFFAOYSA-N 447.460 5.775 0 40 IKAB COc1ccc(/C=C2\C[C@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc1 36612189 JPPVXERJZNMYHM-QEWFROOVSA-N 446.587 6.185 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)N(C)[C@@H](c1ccccc1)c1ccccn1 40134786 HKCWYMDSWOLBSA-UDFXALJUSA-N 437.337 5.114 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(C(C)C)c3)nc3ccsc3c2=O)c1 57487468 LQGUHRDLNQCUAK-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N(Cc1ccccc1)Cc1ccccc1 57781420 RWOQXZAPZDTPGL-UHFFFAOYSA-N 431.923 5.552 0 40 IKAB Cc1ccc(/N=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c(C)c1 67295008 UQUUYWNUGSXJIQ-RWEWTDSWSA-N 448.320 5.692 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4coc(NC(=O)c5ccco5)n4)cc3)sc2c1 70846800 JXRVMQBPOIAEPO-UHFFFAOYSA-N 444.472 5.357 0 40 IKAB COc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCCCC[C@@H]2c2ccccc2)cc1 72311547 FUESGLIYBZHQFR-OAQYLSRUSA-N 436.581 5.150 0 40 IKAB CCn1c(C)nc2cc(NC(=O)c3sc4ccccc4c3[C@@H]3CCN(C(C)=O)C3)ccc21 72352588 PFLOASSLJDXEOH-QGZVFWFLSA-N 446.576 5.167 0 40 IKAB COCC(=O)N1N=C(c2c(C)nc3ccccc3c2-c2ccccc2)C[C@H]1c1cccc(C)c1 79112236 OSHPVQBTSAXSLE-SANMLTNESA-N 449.554 5.843 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)Cc2nc(-c3ccc(F)cc3)no2)c1 95947048 PLBPRIDBWDXTFS-SFHVURJKSA-N 444.510 5.598 0 40 IKAB COc1ccc(C)cc1N1C(=O)[C@@H](c2ccccc2)C(c2nc3ccccc3s2)=C1N 101558535 KTSWWPUFVKTTDE-NRFANRHFSA-N 427.529 5.071 0 40 IKAB aggregator COc1ccc([C@@H]2CC3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C3=C(O)C2)c(OC)c1 102659287 DYFYPNDWLNTWQW-JLCFBVMHSA-N 436.899 5.014 0 40 IKAB FC1(F)S[C@@H]2[C@@H](C1(F)F)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 102959922 IOTWKLDMBZIDBV-OEDSDGPASA-N 430.892 5.792 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)cc(Br)c1OCC 106956610 YEQYRBCSUHIUFJ-UHFFFAOYSA-N 429.152 5.621 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Oc3ccccc3)cc2)cc(C)c1Br 218832815 UVMBRBAQWVSROD-UHFFFAOYSA-N 426.310 5.876 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 222413577 CISMVWRHAMPWJA-OAQYLSRUSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 223315405 NMBQTJLGIFJFDO-FQEVSTJZSA-N 433.017 5.154 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3cccnc3)o2)cc1 223474483 LXDUHYCTECJHLA-PKTZIBPZSA-N 430.508 5.048 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 223770350 DUEITXJKYKTEMA-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224215154 SSQDXXDNKKMDLD-BJKOFHAPSA-N 445.975 6.481 0 40 IKAB CCCc1ccc(OCCNC(=O)COc2ccc3ccccc3c2Br)cc1 224257398 QVDBIDPPXHXOED-UHFFFAOYSA-N 442.353 5.129 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 224353599 KKFCHQFJJXLMFQ-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 224901014 LSLZUFQFVAVVSV-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225007819 ROATZHALIGLKBH-MOPGFXCFSA-N 447.044 5.544 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225055460 XKQDFRZCMZHSLJ-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225088244 ZPMBZECMQFSXFU-FGZHOGPDSA-N 430.592 5.413 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225173019 GQILOGKQPARSSS-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225245578 QBYBSQUGJPBDKI-CABCVRRESA-N 439.358 5.007 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1Cl)C(=O)CC 225587647 WDSWAGXFGLUBLA-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225742495 RFBPUOZYPCWWMB-UHFFFAOYSA-N 446.676 6.138 0 40 IKAB FC(F)(F)c1cc(N2Cc3ccccc3C2)nc(NC(=S)NC2CCCCCC2)n1 226011210 GHFKKESQFJHPFC-UHFFFAOYSA-N 435.519 5.025 0 40 IKAB CC(C)c1nc(Cc2ccc(NC(=O)c3cc4cc5ccccc5nc4s3)cc2)no1 226095783 HMNWNEJYIHDKIR-UHFFFAOYSA-N 428.517 5.799 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3cccs3)c1)O[C@@H]1CCCC[C@@H]21 245226185 JYQQAGGPXAPCLP-RRQZXNHTSA-N 449.572 6.163 0 40 IKAB CN(C(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12)c1ccccc1 306134568 NSFUABQGBOBHPZ-UHFFFAOYSA-N 439.544 5.347 0 40 IKAB Cc1cccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)c1 408578364 XTZBCXHULLBTHW-UHFFFAOYSA-N 426.379 5.802 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Oc4ccccc4)cc3)nc2-c2ccccc2)cc1 408694298 IPBHFZBNBMJINU-UHFFFAOYSA-N 446.510 6.287 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)c1 408699501 XGNVWQJDVDBDTF-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c(C)c1 408728713 RVALMTGQYQSQHV-PTRUDAKASA-N 431.535 5.727 0 40 IKAB Cc1cccc(NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)c1C 408736847 JCTPCEFXWIEQER-XMMPIXPASA-N 427.504 5.123 0 40 IKAB CCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)C1=O 409072952 WMDWFEMJBDPASS-GIJQJNRQSA-N 438.332 5.637 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1 409101920 ZGEIHYGJROYZCG-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CCCc1sc2nc(SCc3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1C 409114244 GPDLHUNUCAPNOH-UHFFFAOYSA-N 441.021 6.654 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNc2cc(Cl)ccc2C)cc1 409115331 IRZJEOXPNJMELM-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(Cc3ccccc3C)S(C)(=O)=O)cc2)cc1Cl 409180733 ZLVGVPGPNLJBSJ-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC(C)c1nc(COc2ccccc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265520 RWDXUUSVWAIKCK-UHFFFAOYSA-N 426.310 5.912 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(Cl)c(Cl)c2)Cc2ccccc21 643588450 GCCCXDMXFVZNTC-UHFFFAOYSA-N 433.379 5.953 0 40 IKAB CCc1cc([C@H](c2ccccc2OC)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1235999 MOYHVGLQPRVQOM-DEOSSOPVSA-N 434.605 6.147 0 40 IKAB CCc1cc([C@H](c2ccc(OC)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1298673 QSXNDEJXZMLTSO-DEOSSOPVSA-N 434.605 6.147 0 40 IKAB Cc1cc(C(C)(C)C)oc1C(=O)N(CC(=O)NC1CCCC1)Cc1ccccc1Cl 1361067 WLDJPNMYEPQBQE-UHFFFAOYSA-N 430.976 5.240 0 40 IKAB CCOc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)c(C(F)(F)F)oc2c1 1770892 UQMQYYLQWNOALW-UHFFFAOYSA-N 426.390 6.670 0 40 IKAB COCCCNc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CC(C)(C)OC3 2220347 ZLRKXTNMCKVBOD-UHFFFAOYSA-N 434.565 5.206 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(O)c1)N(Cc1ccc(F)cc1)C3=O 2343167 FNGRHQZIPVPVIZ-QFIPXVFZSA-N 449.865 5.345 0 40 IKAB CC(C)[C@@H](C(=O)N[C@H](Cc1ccccc1)c1ccc(-c2ccccc2)cc1)c1ccccc1 2371301 HAVDDOKQPHFPFA-LOYHVIPDSA-N 433.595 7.193 0 40 IKAB COc1cccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 2443147 CFIWMUBSACVQLD-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB COc1cccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)c1 2589868 NYSWSIFFJTUCHC-XMMPIXPASA-N 434.605 6.201 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCCc1ccc(F)cc1 2622929 MSDYTIUVVYICGT-UHFFFAOYSA-N 435.499 5.026 0 40 IKAB C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 2714794 OOYFYQMWQFXQDH-RXVVDRJESA-N 428.555 6.853 0 40 IKAB Cc1cccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3cccc(C)c3)c2Cl)c1 2733430 PNRHVHXYFSNKCJ-UHFFFAOYSA-N 427.762 7.783 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 3205788 ZJHLTVDEILXHPU-QPJJXVBHSA-N 449.347 5.229 0 40 IKAB CCOc1ccccc1Nc1nnc(S[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)s1 3266732 WMQSSVRCVHQLSW-CQSZACIVSA-N 442.566 5.002 0 40 IKAB COc1cc(CCC(=O)Nc2nc(-c3ccc4ccccc4c3)cs2)cc(OC)c1OC 3336755 HPMFGXWDGQGQTL-UHFFFAOYSA-N 448.544 5.560 0 40 IKAB COc1cccc(/C=C(/C(=O)OCC(=O)N(c2ccccc2)C(C)C)c2ccccc2)c1 3399888 NZFLKFAERKQSPV-XIEYBQDHSA-N 429.516 5.221 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)c1nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3nc12 3425952 KTFVKGCMVQQZTP-RCDICMHDSA-N 427.957 5.259 0 40 IKAB CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc(-c2ccccc2)n1 3469855 GSEQHIALOGMVHP-UHFFFAOYSA-N 446.523 6.400 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)C2CCCCC2)c1 4231064 LTVWEHBDUJVZSD-UHFFFAOYSA-N 430.592 5.605 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4cc5ccccc5oc4=O)cs3)c(=N)oc2c1 4419978 VBCSKEYQYSTADW-UHFFFAOYSA-N 443.528 5.655 0 40 IKAB CCOC(=O)N1CCN(CCCCCOc2ccc(CC(C)(C)C)cc2Cl)CC1 4429338 HWRANSOWKLLWPN-UHFFFAOYSA-N 425.013 5.252 0 40 IKAB CCCCOc1c(Cl)cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)cc1OCC 8437759 RHJUXXUCINSTAR-UYRXBGFRSA-N 429.900 5.271 0 40 IKAB COc1ccc2c(c1)CCc1c-2nn(-c2nc(-c3ccccc3)cs2)c1C(F)(F)F 8694676 PKCXXEYMFPNJMP-UHFFFAOYSA-N 427.451 5.789 0 40 IKAB CCCC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(C(=O)c2ccc(OC)cc2)c2ccccc21 9130341 RZXMOFJPBQYWQC-RXFWQSSRSA-N 442.559 6.009 0 40 IKAB Cc1cccc2sc(N(CCCN(C)C)C(=O)c3ccc(Cc4ccccc4)cc3)nc12 9151900 ZRSHWKOYJUZPHV-UHFFFAOYSA-N 443.616 5.794 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccc(F)cc3Cl)cc2O)cc1 9410228 UHOMCJMUAIPSIW-UHFFFAOYSA-N 439.870 6.403 0 40 IKAB biogenic COc1ccc(Nc2ccc(NC(=S)Nc3ccc(Nc4ccccc4)cc3)cc2)cc1 9427069 ZUQNPCUJJJCMJX-UHFFFAOYSA-N 440.572 6.991 0 40 IKAB O=C(Nc1oc2ccc(Cl)cc2c(=O)c1-c1cccc2ccccc12)c1ccccc1 9449593 WOLLVIUBUCJDRE-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1ccc(C(C)(C)C)cc1 9479162 FWFPKEBFAJRBOA-UHFFFAOYSA-N 444.604 6.147 0 40 IKAB Cc1ccc(-c2csc(N3CCN(C(=O)c4ccccc4-c4ccccc4)CC3)n2)cc1 12462025 LAARDXHLWGFAQF-UHFFFAOYSA-N 439.584 5.748 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)c1ccc(Cl)cc1Cl 12859137 KQXKHCVIIMSRHX-OJXHRBAXSA-N 431.363 5.123 0 40 IKAB CCOc1ccc(CNCC[C@]2(c3ccccc3OC)CCO[C@@H](C(C)C)C2)cc1OC 12864428 OHZCFVVRZGMNSE-SXOMAYOGSA-N 441.612 5.355 0 40 IKAB biogenic COc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCOCC2)cc1 13059197 PQWNWEOGDLTBHB-HSZRJFAPSA-N 436.577 5.047 0 40 IKAB CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H]1CC=CC[C@@H]1Cc1ccccc1 13551587 JCSHVURHHZHBHE-UYAOXDASSA-N 432.520 5.117 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1cccc(F)c1 13602458 NBLOATXCLBHQDO-UHFFFAOYSA-N 445.675 6.302 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 13659153 CKHWGQAGHQQPTC-ZNZIZOMTSA-N 434.495 5.199 0 40 IKAB C1=CC(=[N+]2N=C(c3ccccc3)C[C@H]2c2ccccc2)C=CC1=C1Sc2ccccc2S1 13739603 NVGHCIBPGRGAEE-VWLOTQADSA-N 449.624 7.225 0 40 IKAB CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 13955541 LJBYWYWIOGJJHK-QYBDOPJKSA-N 431.580 5.497 0 40 IKAB CCOc1cccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4Cl)CC3)cc2)c1 14273638 KIDHLOTVDJHVSP-UHFFFAOYSA-N 449.982 5.313 0 40 IKAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ccc(-c2nc3ccccc3s2)cc1 14778933 OVSPSOKQKQALKD-UHFFFAOYSA-N 425.513 6.190 0 40 IKAB Cc1ccc(Cn2c([C@@H](C)NC(=O)c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 15912057 GWDVJJWLRCIVFD-MRXNPFEDSA-N 438.358 6.191 0 40 IKAB Fc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 16401598 MULWMYQJUHHGJN-UHFFFAOYSA-N 434.736 6.110 0 40 IKAB CCOc1cc(CNCc2ccncc2)cc(Br)c1OCc1ccccc1 16688626 UMXNQEUIUKGLRH-UHFFFAOYSA-N 427.342 5.112 0 40 IKAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(Br)cc2)nc1 16736364 SFJTUGPDVJAAHX-HXUWFJFHSA-N 447.288 5.009 0 40 IKAB COc1ccc(-c2nc(CSc3nc(O)cc(-c4ccccc4)n3)c(C)o2)c(OC)c1 16841320 BSNCQYNEMGTAHC-UHFFFAOYSA-N 435.505 5.122 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)COc3ccc(Cl)cc3Cl)cc2s1 17101940 MZSDPHJUGNZWPC-UHFFFAOYSA-N 438.336 5.359 0 40 IKAB COc1c(C(=O)Nc2ccc(N3CCCCC3)cc2)cc2ccccc2c1Br 17103186 IBTSCVNVJJEAED-UHFFFAOYSA-N 439.353 5.854 0 40 IKAB O=c1c2[nH]c3ccccc3c2nc(SCc2ccc(F)cc2)n1-c1cccc(Cl)c1 17201069 RIAHAZCHCSNRKH-UHFFFAOYSA-N 435.911 5.952 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1NCCC1=CCCCC1)c1cccc(Cl)c1 17246164 CLSDEOXTULALMH-UHFFFAOYSA-N 442.972 5.386 0 40 IKAB COc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1-c1ccc(CO)o1 20139579 QPSYFYLSWANSNT-UHFFFAOYSA-N 448.327 6.221 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3ccccc3Br)sc2c1 20411395 NXUOPXTVCRHQDW-UHFFFAOYSA-N 433.327 5.268 0 40 IKAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1ccc(-c2ccc(F)c(Cl)c2)o1 20611344 AJLCHOOWLJAAAQ-UHFFFAOYSA-N 428.876 5.402 0 40 IKAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5)nc4nc3C2)cc1 20671709 JWOSIRMRYMKSJR-FQEVSTJZSA-N 428.561 5.453 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(Br)cc1F 21595894 JTCOTEKTZXINQK-UHFFFAOYSA-N 431.099 5.147 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1 24927437 HXOQIAAHQBADNW-JOCHJYFZSA-N 430.558 5.196 0 40 IKAB Oc1nc(CN2CCN(c3ccccc3)CC2)nc2cc(-c3ccc(Cl)cc3)sc12 25052741 TXTDZGFNXSPKRO-UHFFFAOYSA-N 436.968 5.040 0 40 IKAB Cc1ccc2nc(-c3ccc(OCC(=O)N4CCOCC4)cc3)cc(-c3ccccc3)c2c1 32616791 XSAXNKPIQXIVMO-UHFFFAOYSA-N 438.527 5.115 0 40 IKAB C(=C1\CCCC2=C1O[C@]1(N3CCCCC3)CCCC[C@@H]1[C@H]2c1ccccc1)\c1ccccc1 33632344 XHZACPFETSQKJX-ICTYBPMDSA-N 439.643 7.694 0 40 IKAB Cc1cc(C(F)(F)F)nc2sc3c(O)nc(-c4cc(Br)cs4)nc3c12 36611412 QFGPNXOADSMMMX-UHFFFAOYSA-N 446.273 5.763 0 40 IKAB O=C(Cn1c(SC(F)F)nc2ccccc21)N(Cc1ccco1)Cc1cccs1 37116035 XJJJGLLEYYJALY-UHFFFAOYSA-N 433.505 5.235 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(N4CCc5ccccc5C4)ncnc32)cc1 39404159 GFPCFZZUMAVBJX-UHFFFAOYSA-N 446.554 6.049 0 40 IKAB CC1(C)C[C@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc2O1 44918382 FVWKAQJTYHSRNA-NRFANRHFSA-N 447.406 5.624 0 40 IKAB Cc1ccc([C@H](NC(=O)c2ccc(I)cc2)c2ccccc2)cc1 44948612 IIJGSBXGYASTSD-HXUWFJFHSA-N 427.285 5.119 0 40 IKAB C[C@@H]1CCCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)C1 49006690 LZIYVLBYASCMAD-GFCCVEGCSA-N 444.910 5.116 0 40 IKAB O=C(NC(=S)Nc1c(Cl)ccc2nsnc12)c1ccc(-c2ccc(Cl)cc2)o1 57314014 AZFYNYFKXDMUKT-UHFFFAOYSA-N 449.344 5.385 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2ccccc2)cc1)c1ccc(CSc2ccccc2)cc1 59960871 BKEJLWMSXPYNDT-UHFFFAOYSA-N 438.552 6.484 0 40 IKAB CCc1ccc(-n2nc(-c3nc(-c4ccc(SC)cc4)no3)c3ccccc3c2=O)cc1 64950111 UOBPQDGTGAFHGN-UHFFFAOYSA-N 440.528 5.387 0 40 IKAB CC(C)c1oc([C@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 72305883 WYTRNTVBIAMNLW-LJQANCHMSA-N 443.469 6.853 0 40 IKAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NCCc2ccccc2)sc2ccccc12 72370817 PVTAXQJWGWHVKN-OAQYLSRUSA-N 434.605 5.207 0 40 IKAB CCc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 83820406 BCZLULWDBJTBHC-QFIPXVFZSA-N 439.563 6.221 0 40 IKAB CCN(Cc1ccccc1)C(=O)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037431 MMQAJIISWHHHNC-UHFFFAOYSA-N 449.558 5.448 0 40 IKAB Oc1ccc2cc(-c3nc4ccccc4[nH]3)/c(=N/c3cccc(Br)c3)oc2c1 100463241 RZIBSQWZAVDMRY-GYHWCHFESA-N 432.277 5.677 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc1c23)Nc1ccc(Br)cc1F 219462443 AXRDJLXYLNUKIF-UHFFFAOYSA-N 427.273 5.121 0 40 IKAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 224017749 MSOAJINKJOENSI-AWEZNQCLSA-N 449.359 5.285 0 40 IKAB CSc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)c(C)c1 224210423 UMSMSFQPDZOMGH-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCCC3)c2C)c1 224232536 QMQMVMAYKAOIRB-CLJLJLNGSA-N 444.648 6.491 0 40 IKAB CN(Cc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1)S(=O)(=O)c1ccccc1 224407013 CQTZJNQVZSZKDN-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)cc3OC)o2)c1 224901288 NMUCIQWUSZKUPR-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c(C)c1 224941096 CQYQEFKLDBBXJR-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3c(c2)oc2ccccc23)c(I)c1 225029991 FMPAGDSZDGBMPA-UHFFFAOYSA-N 427.241 5.751 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 225162837 POQCGNKJRAVDOU-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 225587347 YOIRRBIDYUBRIY-PGRDOPGGSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 225660073 PZWSGSQDQQEPFN-DVECYGJZSA-N 442.575 5.050 0 40 IKAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 225728514 RIBFBARKFQIBKY-PMACEKPBSA-N 427.683 5.633 0 40 IKAB Cc1cccc([C@@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)c1 225779938 IUONFJVIZIYMPP-MHZLTWQESA-N 441.958 6.747 0 40 IKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccccc2Sc2ccccc2)n1 225918514 XOFZFSPACRIWJX-UHFFFAOYSA-N 426.545 6.241 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(-c3ccc(OCc4ccccc4)cc3)nn12 227143145 OGLLULMUIJPYSF-UHFFFAOYSA-N 438.516 5.055 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)no1)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257245055 INYFOPQDWNRHJF-GOSISDBHSA-N 447.922 5.594 0 40 IKAB O=C(O)c1cnc([C@@H]2CCCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257315137 VAALMFQOZWDKHQ-DEOSSOPVSA-N 449.982 5.731 0 40 IKAB COc1cccc(CNC(=S)c2cccc(OC)c2OCc2ccccc2Cl)c1 408575269 NOPXKOGMXDYHAD-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccccc2Cl)cc1)Sc1nc2ccccc2[nH]1 408635038 XBENBGGNVCYVDE-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB COc1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1Cl 408636472 QTMICBNPLWPZNH-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 408644196 FBPGUZKYGVZWOV-UHFFFAOYSA-N 448.881 5.798 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408925997 WGSCMNLXPZYCKB-UHFFFAOYSA-N 446.981 5.262 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc4c(c3)CCCC4)o2)cc1Cl 409006799 LWIKREYYLCOUMU-UHFFFAOYSA-N 443.956 5.220 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccc2)cc1 409098285 PHQOGKAHYROWFN-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3C)C2=O)c2ccccc12 409181108 WODJUPYQSINJNT-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(CSCc2ccc(F)cc2)n1CC 409357675 CAVFXSDAMOLOSB-UHFFFAOYSA-N 444.601 5.164 0 40 IKAB Cc1ccc(C(=O)n2nc(Nc3ccccc3Cl)cc2Nc2ccccc2Cl)cc1 575443136 PJZOAXOGJZDSMR-UHFFFAOYSA-N 437.330 6.674 0 40 IKAB O=C1NCCc2ccccc2[C@H](c2ccccc2)N1C1CCN(Cc2cccs2)CC1 1615529183 FWMMJCLUDPVSHP-VWLOTQADSA-N 431.605 5.070 0 40 IKAB O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 865910 NXWKUGIKCUDCHF-YPMHNXCESA-N 442.850 5.216 0 40 IKAB Cc1sc2nc(S[C@H](C)C(=O)Nc3ccc(F)cc3)[nH]c(=O)c2c1-c1ccccc1 1290442 IDOIALWBDAEZNE-CYBMUJFWSA-N 439.537 5.218 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccc(F)cc3)CC2)c1C 1324302 FJOFTBFJUOHKNM-UHFFFAOYSA-N 447.579 5.469 0 40 IKAB O=C(CSc1cccc[n+]1[O-])c1ccc(Cc2ncc(C(F)(F)F)cc2Cl)s1 1398073 OZEDXXPZHCXWPI-UHFFFAOYSA-N 444.887 5.015 0 40 IKAB COc1cc2c(C(=O)N3CCCCC3)c(C)n(-c3ccccc3)c2cc1Br 1441966 GFFWJYDHDYNTMJ-UHFFFAOYSA-N 427.342 5.336 0 40 IKAB O=C(Nc1ccc2nc(NC(=O)c3ccccc3Cl)sc2c1)c1ccccc1Cl 1510044 SOLWDEVEGTWVBG-UHFFFAOYSA-N 442.327 6.108 0 40 IKAB CC(C)(C)c1ccc(-c2nc3scc(-c4ccc(Br)cc4)c3c(=O)o2)cc1 1825723 AICZPRSGUHJDJX-UHFFFAOYSA-N 440.362 6.644 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(Cl)c(Cl)c2)sc2c1CCCCCC2 2734320 JDYMCINOZIPLMD-PKNBQFBNSA-N 438.376 6.152 0 40 IKAB Cn1nc(CSc2ccc(Cl)cc2)c(CSc2ccccc2Cl)c1Cl 3105796 MFDNNLLIFSFFAT-UHFFFAOYSA-N 429.825 6.965 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccccc2)n1C)c1ccccc1 3347395 BKJCFKWABYMSFF-JOCHJYFZSA-N 444.560 5.271 0 40 IKAB Cc1ccccc1CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(F)cc1 3658670 UOWSIBAWGWQTSD-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CC(C)(C)NC2(C)C 4275281 OHMBDYZGQNFQAL-UHFFFAOYSA-N 428.598 5.244 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccc(C)cc2)CCO[C@H](C(C)C)C1)Cc1ccccc1F 5031929 KHFBTGSGQORUSE-AHKZPQOWSA-N 425.588 6.036 0 40 IKAB O=C(c1ccccc1)c1ccc(-c2nc(-c3cccc(Cl)c3)[nH]c2-c2ccccc2)cc1 8408080 IKINAGLZRQZTJA-UHFFFAOYSA-N 434.926 7.295 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)c2c1nn(C(=O)[C@@H](C)[C@@H](C)Sc1ccccc1)c2-c1ccccc1 8442224 IUEONDMREDACST-JCUDRXCFSA-N 446.660 7.644 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1ccc(CN2CCCC2=O)cc1 8718536 MFPZRAVVYPCNSC-UHFFFAOYSA-N 431.561 5.064 0 40 IKAB FC(F)(F)c1cccc(-c2cc3ccccc3nc2Oc2ccc(Cl)cc2Cl)c1 8733573 UPLYEFBIBIUVFR-UHFFFAOYSA-N 434.244 8.020 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)cc1 8903056 MWUKHOOPYHKSAQ-UHFFFAOYSA-N 429.545 6.053 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)sc2c1 8903708 WHYUSWZMJDQJAQ-UHFFFAOYSA-N 440.908 6.027 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3ccc(Cl)cc3Cl)c(=O)oc2cc1O 9035664 LLBXASZKDNXRFG-UHFFFAOYSA-N 434.319 6.181 0 40 IKAB CCN(Cc1nc(-c2ccccc2)no1)C(=O)N1c2ccccc2Sc2ccccc21 9190078 HXUVJLWWPQWITM-UHFFFAOYSA-N 428.517 5.981 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12)c1cc(=O)c2ccccc2o1 9194813 OJRVLBFDOITZPU-UHFFFAOYSA-N 427.387 5.162 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(C(c3ccccc3)c3ccccc3)o2)cc1 9200066 SVXXSEQFPNTVCO-UHFFFAOYSA-N 445.544 5.379 0 40 IKAB CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2C)cc1 9391312 GTAZRXPDQHXRSW-VWLOTQADSA-N 445.559 5.393 0 40 IKAB O=C(CN1C(=O)C[C@H](c2ccco2)Sc2ccccc21)Nc1cccc2ccccc12 9414588 UIAKXQWQTNDANQ-HSZRJFAPSA-N 428.513 5.642 0 40 IKAB Cc1c(CC(=O)Nc2ccccn2)c(=O)oc2c(C)c3occ(-c4ccc(F)cc4)c3cc12 9423265 KNQMPLLPEGQOSA-UHFFFAOYSA-N 442.446 5.538 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)N(C)c2ccccc2)n1-c1ccc(C)cc1 9631711 LKBAEUFMDYWPOP-UHFFFAOYSA-N 444.560 5.006 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cs1 11034687 ZAEKOYIARUBABB-FQEVSTJZSA-N 438.940 5.210 0 40 IKAB COc1ccccc1-c1nnc(SC[C@@H](O)c2ccccc2)n1CCc1ccccc1 11366747 PWCHBVYFPMECSM-JOCHJYFZSA-N 431.561 5.022 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)N(Cc2ccccc2)c2ccccc2)cc1)c1cccs1 11916196 MBZSZSDVWWFRDR-UHFFFAOYSA-N 448.569 5.396 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 12064375 YBAMZFSBCZSUDA-QFIPXVFZSA-N 428.513 5.277 0 40 IKAB Cc1ncccc1C(=O)N1CCCC[C@H]1c1cc2nc(C(C)(C)C)cc(C(F)(F)F)n2n1 12230053 SMMOLWHMFAWXLA-KRWDZBQOSA-N 445.489 5.116 0 40 IKAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(-c2cccc3ccccc23)nc2ccccc12 12618793 IJJNIUIWQQFEPG-UHFFFAOYSA-N 430.467 5.477 0 40 IKAB Cc1ccc(-n2nc(C)c(/C=C(\Cl)c3nc4sc(C)c(C)c4c(=O)[nH]3)c2Cl)cc1 12633312 JAEUVYQWJHLMSD-SXGWCWSVSA-N 445.375 5.794 0 40 IKAB CCCN(Cc1ccccc1)C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1 12744543 AHAZOZYDOJBFIW-BUHFOSPRSA-N 437.540 5.419 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1nc2cc(Cl)c(C)cc2s1 12843322 BKHOAWSNMREGQD-ZZXKWVIFSA-N 437.746 5.681 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)Nc4ccc5oc(=O)ccc5c4)c(C)c3cc12 12896062 BICYEIUJFYCVSG-UHFFFAOYSA-N 443.455 5.142 0 40 IKAB biogenic CCN(CC(=O)Nc1cc(Cl)ccc1C)CC(=O)Nc1c(C(C)C)cccc1C(C)C 13040228 AOMJDOXIYZPHBN-UHFFFAOYSA-N 444.019 5.794 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](c2ccccc2)N2CCC(c3nc4ccccc4o3)CC2)c1 13100496 RUPZSTCFSRLFMD-SANMLTNESA-N 439.559 6.004 0 40 IKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H](C)CCc1ccccc1 13113116 KROJZHJELHQQEU-CABCVRRESA-N 433.499 5.267 0 40 IKAB COc1ccc2c(-c3cccnc3)cc(SCc3ccc(Cl)cc3Cl)nc2c1 13117118 KVYUNYBBLWXFJE-UHFFFAOYSA-N 427.356 6.905 0 40 IKAB CCCCC(=O)Nc1c(S(=O)(=O)c2ccc(C)cc2)c(C)c(C)n1Cc1ccco1 13735869 FKBMKIVEVBUZPO-UHFFFAOYSA-N 428.554 5.016 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCc3ccc(Br)cc3)n2CC)cc1 13871450 HUAAVIGWTZRJCH-HNNXBMFYSA-N 446.414 6.055 0 40 IKAB O=C(COc1cc(Cl)ccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 15911651 PXFKXXRNWDJKCP-SFHVURJKSA-N 449.721 5.997 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc(SCc2ccc(Cl)cc2Cl)o1 16001671 JDZKHMFWSIVDHP-CQSZACIVSA-N 430.357 5.741 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)c12 16031422 IWUCBJASCQXJAP-KSFYIVLOSA-N 445.556 5.289 0 40 IKAB biogenic Fc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2F)cc1 16449994 FZHJHFNLKNKRHK-UHFFFAOYSA-N 432.308 5.639 0 40 IKAB Cc1cc(C)c(NC(=O)Cc2csc3nc(C45CC6CC(CC(C6)C4)C5)cn23)c(C)c1 16467923 FGUBVMIZRMPLNG-UHFFFAOYSA-N 433.621 5.970 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2c(c1)C(=O)N(c1ccc3ccccc3c1)C2=O 16545846 LSLULRPSLSVHTK-UHFFFAOYSA-N 442.474 6.046 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Oc2ccccc2)c1 16751676 LSAQAWFJUOQPFC-DEOSSOPVSA-N 425.484 5.931 0 40 IKAB O=C(COc1ccccc1)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17096340 SSBVSIJQTDEURK-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@@H](c3cccs3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 18043686 QNLQEZCOMBQHPE-CEXWTWQISA-N 445.327 5.106 0 40 IKAB O=S(=O)(Nc1cccc2cccnc12)c1c(Cl)cc(Br)cc1Cl 18996222 GGXKRGLGDPULKM-UHFFFAOYSA-N 432.126 5.105 0 40 IKAB Cc1ccc(OCCCC(=O)N2CCCC[C@H]2c2nnc(-c3scnc3C)o2)c(C)c1 19132817 WVVKOFCUHRHUPY-SFHVURJKSA-N 440.569 5.031 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3cc(Cl)ccc3O)o2)cc1Cl 19645658 CKWBESKJBBQNHC-RMKNXTFCSA-N 447.343 5.794 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(CCc2ccc(F)cc2)C4)cc1 19882500 GVKDIRASXSYJJT-UHFFFAOYSA-N 431.463 5.002 0 40 IKAB biogenic COc1ccc(CNc2c(S(=O)(=O)c3ccccc3)cnc3ccc(Cl)cc23)cc1 20382526 DLQOCWLDVSYCEA-UHFFFAOYSA-N 438.936 5.342 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1Cl 20451934 ZCZQHDZFVMRYRV-OAQYLSRUSA-N 448.415 6.354 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 21005707 YXWPQABZGNYERB-VWLOTQADSA-N 439.515 5.343 0 40 IKAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccc(Cl)cc3)n2)cc1 33012958 UXUZDBRDQHFCHN-UHFFFAOYSA-N 435.867 5.230 0 40 IKAB Cc1cccc(C(=O)N[C@H](C)c2nnc(SCc3ccc(Cl)c(Cl)c3)n2C)c1 33621759 VSSMHSOCSVHHJX-CYBMUJFWSA-N 435.380 5.214 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2cccs2)N=C1SCC(=O)Nc1ccc2ccccc2c1 35677952 XVFPBNBBRUZFQO-FYJGNVAPSA-N 449.601 5.468 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(F)cc1)N1CCc2ccccc21 44086959 PBIYYGPGIMJMKO-UHFFFAOYSA-N 429.520 5.360 0 40 IKAB Cc1ccc2nc(NC(=O)c3cc(O)c(OCc4cccc(Cl)c4)cn3)sc2c1 61718927 WYPXHDHMDHNKQQ-UHFFFAOYSA-N 425.897 5.190 0 40 IKAB CC(C)Oc1ccc(-c2noc(-c3cn(-c4cccc(F)c4)c(=O)c4ccccc34)n2)cc1 67245427 OXGLDOUMZCRNCC-UHFFFAOYSA-N 441.462 5.634 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72214733 OTGBQBFXXPIHHS-NRFANRHFSA-N 439.556 5.707 0 40 IKAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 103081658 IGQMXUPIVMMFEV-ATVHPVEESA-N 443.499 5.222 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc1OCC 216402758 OQQTUAAQRFZEEF-UHFFFAOYSA-N 438.568 5.072 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 216478661 BAUKHIZHKFPYGN-QHCPKHFHSA-N 428.488 5.159 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 222445659 LZMWDVGHRFDZGY-DEOSSOPVSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 223136182 QLQBWGHGURJIEF-JOCHJYFZSA-N 426.626 5.199 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223416635 RINRAOIEPJBLOR-RPWUZVMVSA-N 432.593 5.180 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NC(=O)c2ccc(Cn3ccnc3)cc2)c1 223888933 NOJVCPXMOFOEKL-UHFFFAOYSA-N 433.895 5.638 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1 223951967 LKRHSJCZSDYTDX-VNLJKWRZSA-N 446.572 5.030 0 40 IKAB COc1cccc(OCc2cc(C(=O)Nc3cccc(C(F)(F)F)c3)ccc2OC)c1 224254298 WCMFIUURQTZUQW-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1C 224279546 ACBNUOVCCCMYOC-DQEYMECFSA-N 439.588 5.120 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224319846 JNZCQFWGFOUZSN-LOSJGSFVSA-N 430.621 6.182 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224325186 IZYWFUVYEBKRCD-DNQXCXABSA-N 425.561 5.007 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224343829 DYVOUSNSFHYXAH-RPBOFIJWSA-N 442.563 5.751 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224379178 PBIBUSAKLYOAJS-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1COc1ccccc1Cl 224480323 SWRNLLDZXHZPRS-UHFFFAOYSA-N 439.895 5.357 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)C 224769684 LBJLOZFXGGPZRB-MHZLTWQESA-N 442.603 5.092 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 225056096 BANIKPKXPOZHCF-RTBURBONSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 225136914 YIMMAZNPKNXPSP-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB COc1ccc(CCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1OC 225316269 CYBZVNQCPDBRLX-UHFFFAOYSA-N 438.618 5.525 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225346065 VAKZQLXKPBPCJX-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225459583 CYTMOOVHPPITFI-XMSQKQJNSA-N 447.044 5.295 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)cc1 225510613 MXJPFDVMSZUWTB-HXUWFJFHSA-N 429.358 5.973 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc(C)c1OCc1ccccc1 225524749 AOUDHVQXFPXMRN-UHFFFAOYSA-N 433.979 6.986 0 40 IKAB CCOc1cc([C@@H]2[C@H](c3ccccn3)N=C3SC[C@H](CC)N32)cc(Cl)c1OCC 260783822 UIVBBVXNWZSUCK-RYGJVYDSSA-N 431.989 5.512 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccccc1NS(=O)(=O)c1ccccc1 408545234 JNKMBEPTKCPBLW-UHFFFAOYSA-N 428.513 5.407 0 40 IKAB CCn1c(Sc2oc(C=O)cc2Br)nnc1-c1ccc(Cl)cc1Cl 408554758 FJWQWCLJZQSNAL-UHFFFAOYSA-N 447.141 5.591 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(Cl)c3C)n2)cc1 408696160 WYTHEFGAALKQHJ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(C)c(Cl)c3)n2)cc1Cl 408698004 KWYHQPSGBLGSOW-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)cc1 408699963 XVJCBLMBMGTIKA-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CC(C)N(C(=O)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1)C(C)C 408979631 NMJUTTZYVIPBFQ-UHFFFAOYSA-N 436.606 6.738 0 40 IKAB S=C(NCc1ccco1)Nc1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408982446 XXGLTUFDQNGZAZ-UHFFFAOYSA-N 448.598 6.166 0 40 IKAB O=C1Nc2ccccc2S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1 409085654 FEJZPQGASCEXLK-BKUYFWCQSA-N 438.346 6.113 0 40 IKAB CC(C)c1ccccc1NC(=O)Cn1nc(COc2ccc3c(c2)CCCC3)oc1=S 409161253 ZWGPVYKVCOCPFG-UHFFFAOYSA-N 437.565 5.425 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)C(=O)O2)cc1Cl 409195390 IGMWOEWJRSDABJ-UUYOSTAYSA-N 438.310 6.225 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccccc4F)c4ccccc34)C2=O)cc1 409233720 WGYZGCVWQGSRSI-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB CC(C)[C@H](NC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc(-c2ccccc2)no1 526052251 KCYRFNSTCXJERK-VWLOTQADSA-N 448.526 6.079 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 2049238391 OSYGNEOCCSKLON-OYPGSEKSSA-N 438.652 6.325 0 40 IKAB O=C(Oc1ccc(Br)cc1C(=S)N1CCCCC1)c1ccccc1Cl 866334 HYFQXPOIAUFGGM-UHFFFAOYSA-N 438.774 5.483 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)o2)c1 882253 RKJIVUGWQSBPKT-UHFFFAOYSA-N 427.529 5.601 0 40 IKAB Nc1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccc(N)cc6)nc5c4)ccc3o2)cc1 911952 KFLYNILAXAHPJV-UHFFFAOYSA-N 432.483 6.058 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2cccc(F)c2)o1 2264024 AOZRINSAAVCDFF-SFHVURJKSA-N 429.517 5.310 0 40 IKAB CCc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 2337225 KBFMWCHHJUZMMS-UHFFFAOYSA-N 439.993 6.305 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nnc2-c2ccccc2F)cc1 2626069 FGAJBDDKNCOQDN-UHFFFAOYSA-N 426.561 5.119 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=S)N4C[C@]5(C)C[C@H]4CC(C)(C)C5)cc3)sc2c1 2643125 ZTPBCHLRBHJYTD-KBMIEXCESA-N 435.662 6.869 0 40 IKAB COc1cc(C(=O)Nc2nnc(SCc3ccc(C)cc3)s2)ccc1OC(F)F 2662188 KVSWWXMKHGUDOT-UHFFFAOYSA-N 437.493 5.001 0 40 IKAB CCCCCCC(=O)N[C@@H](NC(=S)Nc1cc(C)ccc1C)C(Cl)(Cl)Cl 2678320 GPHGLGGKFMGFHH-INIZCTEOSA-N 438.852 5.373 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(CC)cc2)cc1 2713709 AAOCHIPJPMKNPC-UHFFFAOYSA-N 445.540 5.260 0 40 IKAB C[C@H]1CN=C(N(C(=O)Nc2ccc(F)c(Cl)c2)c2cccc(C(F)(F)F)c2)S1 3103148 XIUVAQVUIOBRLH-JTQLQIEISA-N 431.842 6.028 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3226668 XASGCJDYBYMROD-MRXNPFEDSA-N 428.513 5.098 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(Cl)cc3)n2CCc2ccccc2)cc1 3283136 ZRWHMRURKQJZSG-UHFFFAOYSA-N 435.980 6.142 0 40 IKAB Clc1ccc(CSc2nnc(Cc3cccc4ccccc34)n2C2CCCCC2)cc1 3363362 LACVSXZWRYAZIR-UHFFFAOYSA-N 448.035 7.473 0 40 IKAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3604132 QYNBWFJRTOXNRP-MRXNPFEDSA-N 426.973 5.081 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)NCCNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 4027208 ADXAZTWBWFPYRO-SZPZYZBQSA-N 436.640 5.223 0 40 IKAB biogenic C[C@@H](NC(=O)c1cc(-c2ccccn2)nc2ccccc12)[C@H](c1cccs1)N1CCCC1 6182382 GXFLAVSLENXMFS-IQGLISFBSA-N 442.588 5.314 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 6753161 QFYXLLXJJHKDKX-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 8231991 GANQUGODZYJLAQ-VWLOTQADSA-N 427.548 5.031 0 40 IKAB FC(F)(F)c1cccc(N2N=C(c3ccc(Cl)cc3)C[C@@H]2c2ccc(Cl)cc2)c1 8427274 SYLIGYQTVHGAKM-OAQYLSRUSA-N 435.276 7.368 0 40 IKAB O=C(N[C@@H](C(=O)O)c1ccc(Cl)c(Cl)c1)OCC1c2ccccc2-c2ccccc21 8699162 IHZVAPWDHBFRTD-OAQYLSRUSA-N 442.298 5.658 0 40 IKAB COc1ccc(CCNc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1OC 8773120 JIPMLKPLJQQBCK-UHFFFAOYSA-N 436.943 5.338 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(O)cc2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 8843988 HHRMVTFRTOQDHH-UHFFFAOYSA-N 438.940 5.103 0 40 IKAB C[C@H](OC(=O)c1c2c(nc3ccccc13)CCC2)C(=O)Nc1ccc(Cl)cc1Cl 9125828 NRIDSHPKZKLLDN-LBPRGKRZSA-N 429.303 5.214 0 40 IKAB COc1ccc(/C=C/c2nc3ccc(Br)cc3c(=O)n2-c2cccc(C)c2)cc1 9190781 NQUFACOAACNBKN-MDWZMJQESA-N 447.332 5.636 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)CSc1ccccc1C)CC2 9223418 QRJCDGVYYCVIOU-XMMPIXPASA-N 439.602 5.340 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)c(C)n1C1CC1 9469008 FWCCIJLVVNAHOG-UHFFFAOYSA-N 447.539 5.197 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)cc1 9514292 HEGVUESXIDTHGN-UHFFFAOYSA-N 442.342 6.656 0 40 IKAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)c1ccc(OCc2cn3ccccc3n2)cc1 9746170 SYJYKGLNGAFTFM-UHFFFAOYSA-N 441.487 5.207 0 40 IKAB Cn1/c(=N\C(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c3ccccc3ccc21 11852849 PPOVQTWWSZCSQU-SJCQXOIGSA-N 445.547 6.349 0 40 IKAB CC(C)(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 12195391 XLAVZOQIROYJGL-YTMVLYRLSA-N 432.567 7.380 0 40 IKAB CCSC1=C(SCC)SC(=C2SC(SCC)=C(SCC)S2)S1 12561775 LLDJYFLUQDMPQI-UHFFFAOYSA-N 444.850 8.339 0 40 IKAB in-vitro CC1=C(C(=O)Nc2ccc(Br)cc2)[C@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 12564450 SDHHLYWETFXGJH-IBGZPJMESA-N 442.357 5.013 0 40 IKAB O=c1c(Cl)c(N2CCC(Cc3ccccc3)CC2)cnn1Cc1ccc(Cl)cc1 12981386 QWYVNPRANKHLGI-UHFFFAOYSA-N 428.363 5.058 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@@H]2c2cccs2)cc1 13041361 OKIGMVXMUVJBFM-WMZHIEFXSA-N 438.980 6.141 0 40 IKAB S=c1n(CN2CCc3ccccc3C2)nc(-c2ccccc2)n1-c1ccc(Cl)cc1 13063456 JQJZHGLACSKBKT-UHFFFAOYSA-N 432.980 5.739 0 40 IKAB C[C@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)N1CCc2ccccc21 13112368 CHDXNVBQMJIOIJ-LBPRGKRZSA-N 441.965 5.675 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccc(Br)cc1 14071273 DYWQUCIZWSXBLA-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1ccc2c([N+](=O)[O-])cccc2n1 15513903 HWAOZHOKRCTAMG-PKNBQFBNSA-N 439.302 6.173 0 40 IKAB COc1cccc(C(=O)Nc2ccc3c(=O)cc(-c4ccc(C(C)(C)C)cc4)oc3c2)c1 15729326 VGEGGGKKJZJQNY-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB biogenic CC(C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 15975097 RAZDPLMGZXUJGO-CQSZACIVSA-N 432.373 5.891 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1 16750256 DQFMHHVQWFXXAJ-UHFFFAOYSA-N 434.860 5.422 0 40 IKAB CCOc1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 16842890 SLTYOJRBQLITMA-UHFFFAOYSA-N 440.366 5.850 0 40 IKAB Cc1cc2nc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)oc2cc1C 17097842 HERHXXUDQMOKCA-UHFFFAOYSA-N 432.348 6.059 0 40 IKAB Fc1cccc(Nc2noc3c2CN(Cc2cccc(OCc4ccccn4)c2)CC3)c1 19402000 WPWIYNIJGWSFDQ-UHFFFAOYSA-N 430.483 5.090 0 40 IKAB Cc1ccc(CNc2c(S(=O)(=O)c3ccc(Cl)cc3)cnc3ccc(F)cc23)cc1 20382458 QPPPFAOPBQLZPB-UHFFFAOYSA-N 440.927 5.781 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20495381 FXHLOBBEXMNFRQ-UHFFFAOYSA-N 442.968 5.518 0 40 IKAB CCOc1ccc([C@@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868177 LOXAGULBWVHIBT-RUZDIDTESA-N 443.503 5.136 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(OCc4c(C)noc4C)c3)cc2)cs1 21677957 OWDAZVRQWZJXOX-UHFFFAOYSA-N 447.560 5.275 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(F)c(Cl)c1 21721360 YVWUBAGVYLMVTD-UHFFFAOYSA-N 448.932 5.335 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1F 22073878 UCYYMZSSXLBLOL-UHFFFAOYSA-N 443.990 6.515 0 40 IKAB COc1ccc(CNCc2ccc(OCc3ccc(Cl)cc3Cl)c(OC)c2)cc1 22076731 HPBIQSZZKDIKHF-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccc(C(C)C)cc3)c2)cc1 22520658 ANCIGUXEZRXUPI-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Oc1c([C@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852271 IXKYAEOBURUPIO-FQEVSTJZSA-N 446.507 5.043 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 22966428 OPDZZPYVVMCCRZ-XMSQKQJNSA-N 440.952 5.333 0 40 IKAB COc1ccc(C)cc1NC(=O)c1c2c(nc3ccccc13)CCN(Cc1ccccc1)C2 25391413 HYRGGIUKYGYYIA-UHFFFAOYSA-N 437.543 5.362 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccc(Br)cc1C(=O)c1ccccc1 27521279 ALFCPODFJANBNV-UHFFFAOYSA-N 444.712 5.351 0 40 IKAB CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)N[C@@H](C)COP(=O)(O)O 27644702 LONSAFDJFAGAFZ-AQNSPSBUSA-N 441.549 5.746 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 32124616 WNOKYADLHMBAED-UHFFFAOYSA-N 443.286 5.041 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)cc1 32127684 NSLWNTJLANZHHP-UHFFFAOYSA-N 449.985 5.264 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)[C@H](Sc1ccccc1)c1ccccc1 32895255 UHRCTZGVRVGCOC-JOCHJYFZSA-N 437.515 5.923 0 40 IKAB CCOC(=O)c1c(C)oc2c1c1c(c3ccccc32)OCN(Cc2ccc3c(c2)OCO3)C1 33406864 FLRZXYGXQWRXAC-UHFFFAOYSA-N 445.471 5.152 0 40 IKAB Cc1ccc2[nH]cc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c2c1 40566530 XLKFSFRZGVTQNQ-RUZDIDTESA-N 440.499 5.011 0 40 IKAB COc1ccc(/C=C(/C(=O)NCc2ccc(CN3CCCC3)cc2)c2ccccc2)cc1 44857216 MJTBDPDODPFOQX-ZXVVBBHZSA-N 426.560 5.148 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Br)cc2)nc1-c1ccccc1 46012655 FCAZRYSZTHGZFA-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1cccc(C)c1NC(=O)CSC1=NC2(CCCCCC2)N=C1c1cccs1 46022406 AVQLYTUQTMPCII-UHFFFAOYSA-N 425.623 5.989 0 40 IKAB CCCNC(=O)c1ccc(Cl)cc1NC(=O)c1sc(Cc2ccccc2)nc1C 58171555 MSJCHRLWXMWDLL-UHFFFAOYSA-N 427.957 5.088 0 40 IKAB CCOc1ccc(-c2nc(CC(=O)Nc3ccnc(Sc4ccccn4)c3)cs2)cc1 60340594 YYAPQSVOUKFNFH-UHFFFAOYSA-N 448.573 5.331 0 40 IKAB C[C@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)[C@H](c2ccco2)C1 72304657 CWYLHHPSQUCTAH-CYFREDJKSA-N 430.548 5.285 0 40 IKAB O=C(Nc1ccc(-n2cccn2)c(Cl)c1)NC1(c2ccc(Cl)cc2)CCOCC1 78612861 CNXQHMHSMGANQN-UHFFFAOYSA-N 431.323 5.007 0 40 IKAB CC(=O)c1c(C)cc(C)c(C[S@@](=O)Cc2csc(-c3ccccc3Cl)n2)c1C 84076889 OULSGILVPKUYNR-MUUNZHRXSA-N 432.010 6.040 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2ccccc2n1 101567080 YSZKCWIBVNWOTP-DZCCDHAISA-N 428.576 6.244 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2ccccc2n1 102640708 YSZKCWIBVNWOTP-QTDGGUCWSA-N 428.576 6.244 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(SC)cc2)c1 103176966 ZRJVQQDBLOTKDL-UPVQGACJSA-N 436.964 6.313 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 216394532 KHHVOESQXTUGAL-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 222671047 CQJYFWDVWZAVNN-GOSISDBHSA-N 447.044 5.544 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 223978999 YTBAZFOBCLKEAN-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1cccc(CNC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 224067974 RRYVDGMUHZCFTQ-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc2ccccc2c1 224320129 WDVPOAWNOPASME-SFHVURJKSA-N 445.946 6.572 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)c1 224550066 FAMUTDBUYVMWQN-DNQXCXABSA-N 432.593 5.574 0 40 IKAB CCOC(=O)c1cc(N(CC)S(=O)(=O)c2cc(Cl)ccc2Cl)ccc1Cl 224944249 MITSOZWXWLCMIA-UHFFFAOYSA-N 436.744 5.039 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225152217 PJWDXOFDYFSXBY-VWLOTQADSA-N 436.640 5.559 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225170667 PYGXMDBZIUOYQK-VNLJKWRZSA-N 446.572 5.030 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(C)c1 225288907 LQESYAOTDSFDAE-MHZLTWQESA-N 442.603 5.094 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cc(C)cc(C)c1 225459462 OQZITDPXOHAGLT-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 225478515 UPWPZHJZJZAJDL-AUSIDOKSSA-N 445.003 5.221 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=S)Nc1ccc(CSc3ccccc3)cc1)CC(C)(C)O2 225673972 IRXBYCIFDUDURM-QHCPKHFHSA-N 448.657 6.876 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC2)cc1 225742457 HDALBOVNWYECBC-UHFFFAOYSA-N 432.649 5.747 0 40 IKAB Fc1c(F)c(F)c(N2CCN(c3ccc(-n4cccc4)cc3Cl)CC2)c(F)c1F 226245825 UWWOKXFTGWVIOT-UHFFFAOYSA-N 427.804 5.153 0 40 IKAB Cc1cc(C)c2oc(-c3cc(Br)c[n+](Cc4ccc(F)cc4Cl)c3)nc2c1 226308488 DOVYLQCKVOBBGQ-UHFFFAOYSA-N 446.727 6.002 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCC(=O)O)CCc3ccccc3)c(-c3ccccc3)c2c1 257269938 MSAYVQAZOSJJNM-UHFFFAOYSA-N 426.516 5.303 0 40 IKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2C)cc(Cl)c1OCc1ccc(C)cc1 408553203 MROYKYQSAWGCOS-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(Cl)cc2)c1 408699426 WUUDOQTZIQKHBE-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408700072 YQPQBMFUBFYONI-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccccc2)C1=O 409071617 OSOTVCOEENCRIT-UYRXBGFRSA-N 446.366 5.865 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccccc1F 409111697 DMQPHQGYAJETEH-UHFFFAOYSA-N 444.344 6.405 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Br)cc3)c(C)s2)cc1 409204331 FOXGVODGGNGGQF-UHFFFAOYSA-N 443.366 5.791 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2Cl)c1 409382298 RHIIKXCGTYJGPL-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2ccccc2o1 678867 PJXBWJMXCBUQGW-UHFFFAOYSA-N 432.345 5.597 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C(=O)Nc2ccccc2)=C(C)N1 1306600 VJSGBIYTMJVNSD-UHFFFAOYSA-N 429.545 5.260 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)NCc3ccccc3)cc2c1 1371556 VIJNGFVGIQNRHO-UHFFFAOYSA-N 425.532 5.057 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)cc12 1371626 YZBNTVMEMXPVEF-FQEVSTJZSA-N 439.943 5.011 0 40 IKAB O=C(Cn1c(CSc2ccccc2)nc2ccccc21)Nc1ccc(Cl)cc1Cl 1400662 ZAARYHXWMTWVTM-UHFFFAOYSA-N 442.371 6.274 0 40 IKAB O=C(NC(=O)[C@H](Cc1ccccc1)c1ccccc1)[C@H](Cc1ccccc1)c1ccccc1 1622463 LZTSRBKLLPUGCI-VSGBNLITSA-N 433.551 5.682 0 40 IKAB CCOC(=O)c1cnc2c(C)cccc2c1Nc1ccc(OCc2ccccc2Cl)cc1 1775421 BBYOSXXLKPQUAB-UHFFFAOYSA-N 446.934 6.696 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2cc(C)ccc2C)sc2c1CC[C@@H](C)C2 1779153 CHERNXLFNBHCIP-MRXNPFEDSA-N 429.582 5.464 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)c(F)c2)n1-c1ccccc1 2203815 HONQARCRTVQKHS-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CC[C@H](C)c1ccc(-n2c(N)c(C(=O)NCCC(C)C)c3nc4ccccc4nc32)cc1 2264517 OTQGBZYROSCPJS-KRWDZBQOSA-N 429.568 5.445 0 40 IKAB Cc1ccc([C@H](CC(=O)NCC2(c3ccccc3)CCCC2)c2ccccc2)c(O)c1C 2264898 ODFXTFLPDRHAHD-AREMUKBSSA-N 427.588 6.159 0 40 IKAB CSc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccccc2F)N2NC=NC2=N3)cc1 2423420 FZHMDEXBEJQKPS-DNQXCXABSA-N 442.519 5.352 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCc5ccco5)ncnc4c23)CO1 2424818 GNXLXKBKEVJMIJ-UHFFFAOYSA-N 432.505 5.556 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCCC1 2474674 NNYZHYNXLTWYPL-GJZGRUSLSA-N 426.870 5.213 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)N1CCN(c2ccc(F)cc2)CC1 2636238 BCNSZBRXOVCEER-UHFFFAOYSA-N 433.552 5.167 0 40 IKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CC[C@H](CC)C2 2708174 PCEUAUHOKAPLBU-KBPBESRZSA-N 431.623 5.878 0 40 IKAB CCCCC1CCC(C(=O)Nc2c3c(nn2-c2cccc(C)c2C)C[S@](=O)C3)CC1 2724925 BLIASSRTGBQULU-ILPUNINZSA-N 427.614 5.187 0 40 IKAB Cc1nn(C)c(C)c1-c1cc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c2ccccc2n1 2805295 NXIKSDSYBLDJFL-UHFFFAOYSA-N 440.425 5.403 0 40 IKAB COP(=O)(OC)c1nc(-c2cccc3ccccc23)oc1NCc1ccccc1Cl 2908132 JJZXLXATKHPBHP-UHFFFAOYSA-N 442.839 5.872 0 40 IKAB CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)s2)cc1 3328146 IBUQFUDIAFVGQZ-UHFFFAOYSA-N 444.969 5.452 0 40 IKAB Cc1ccc(C)c(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)c1 3658688 ZMXAZDRCDZACLD-UHFFFAOYSA-N 439.559 7.136 0 40 IKAB CC(C)Cc1ccc(-c2csc(Nc3ccc(I)cc3)n2)cc1 3663781 KPCRLKOWYZJPIO-UHFFFAOYSA-N 434.346 6.357 0 40 IKAB Cc1cc(C)cc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1 4903661 BLRZOYZZIRWJDB-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CCCCCC(=O)[C@H]1[C@@H](c2ccc(C)cc2)[C@@H](CCCC)C(=O)C[C@H]1c1ccc(C)cc1 5707145 WRFIWFQYNGCGCJ-ATACATFBSA-N 432.648 7.716 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](C)n1cnc2sc(C)c(-c3ccc(F)cc3)c2c1=O 8717831 XIIOGCSGRHHHRZ-OAHLLOKOSA-N 449.551 5.643 0 40 IKAB CCCn1c(S[C@@H](C)c2nnc(-c3cccs3)o2)nc2cc(Cl)ccc2c1=O 8751072 KFPVJMDDAJASMV-NSHDSACASA-N 432.958 5.425 0 40 IKAB Cc1cccc(OCCn2c([C@H]3CC(=O)N(c4cc(C)cc(C)c4)C3)nc3ccccc32)c1 8753418 XIOKHEQBDYFWOZ-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC(C)c1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)cc1 8810662 CJISSNWICJHSBY-UHFFFAOYSA-N 430.476 5.141 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1c(O)nnc(-c2ccccc2)c1-c1ccccc1 8844036 JSKWENMMEVBSJP-UHFFFAOYSA-N 436.298 6.075 0 40 IKAB CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 9125925 JZDDGJVPEPCIJW-UHFFFAOYSA-N 443.937 5.538 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N(c2ccc(Nc3ccccc3)cc2)C(C)C)o1 9205984 VNJHZIRTFSDJLN-UHFFFAOYSA-N 448.548 5.915 0 40 IKAB Cc1nc2c(-c3ccccc3)c(C)nn2c(Nc2ccc(C(C)C)cc2)c1Cc1ccccc1 9293342 BGVXFWWCRRKXNV-UHFFFAOYSA-N 446.598 7.471 0 40 IKAB CCOc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308855 JHYBCWOKHOXHLG-RBBKRZOGSA-N 448.364 6.344 0 40 IKAB O=C(CSc1nnc(-c2n[nH]c3ccccc23)o1)Nc1ccccc1Oc1ccccc1 9335366 PWFDYONXGSNULG-UHFFFAOYSA-N 443.488 5.136 0 40 IKAB C=Cc1ccc(COc2ccc(-c3onc(C)c3-c3ccc(OC)c(OC)c3)c(O)c2)cc1 9409473 DBNZLOVNKYFJOB-UHFFFAOYSA-N 443.499 6.262 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)Cc1coc2cc(C)cc(C)c12 9430870 QRQYYSBLNYKIQT-UHFFFAOYSA-N 447.556 6.444 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1 9571692 ZJZVCXAVNHMHHR-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCCO3)c1 9712553 KMXBKLAJAGLHEO-HSZRJFAPSA-N 448.519 5.009 0 40 IKAB Cc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 10015595 ZIUKKSNNTIRABD-KRWDZBQOSA-N 431.517 5.957 0 40 IKAB Cc1ccccc1CN1C(=O)[C@](O)(CC(=O)c2ccc(C(C)C)cc2)c2cc(Cl)ccc21 10059097 JOBPUNVYISLZDU-MHZLTWQESA-N 447.962 5.779 0 40 IKAB Cc1ccc(CSc2ncc(Br)c(C(=O)Nc3cccc(Cl)c3)n2)cc1 11916278 NAVHDFBFFBNTBG-UHFFFAOYSA-N 448.773 5.746 0 40 IKAB c1ccc(CSc2nc3ccccc3s2)c(CSc2nc3ccccc3s2)c1 12375581 CXTALVYMXOXHTR-UHFFFAOYSA-N 436.652 7.491 0 40 IKAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 12479712 KKJDWBLRFIHLQB-XMMPIXPASA-N 448.519 5.221 0 40 IKAB CN(Cc1nc2ccccc2n1CCCCOc1ccccc1Cl)C(=O)c1ccco1 12539289 YTQGZUHVGBYOAO-UHFFFAOYSA-N 437.927 5.414 0 40 IKAB COC(=O)CSc1nc(C23CC4CC(CC(C4)C2)C3)nc2sc3c(c12)CC[C@H](C)C3 12636434 GPIXJBHTCKHGDJ-ZBNOLQPOSA-N 442.650 5.549 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 13083093 DBWNFNBMGCORHF-UHFFFAOYSA-N 426.516 6.810 0 40 IKAB Cc1nc(Cc2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cs1 13115692 CTKCIMKACWVBEO-AWEZNQCLSA-N 436.562 5.212 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)o1 13497560 VTHVXAJITGRBEX-DEOSSOPVSA-N 436.577 5.021 0 40 IKAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3C)c2)cc1 13616256 NTYANIOVXINPMO-URGPHPNLSA-N 441.571 7.363 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13632406 TVZJKWQIISNPSN-UHFFFAOYSA-N 430.548 6.278 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccccc2Sc2ccccc2)c2ccccc2)cc1 14411315 INWSASJKXOSWRR-LKUDQCMESA-N 437.564 7.026 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(-c3ccccc3)csc2c1=O 16845206 ADNJMKPHTVUOFG-UHFFFAOYSA-N 439.537 5.015 0 40 IKAB CCCCSc1nc(=O)c2c([nH]1)NC(C)=C(C(=O)OC(C)C)[C@@H]2c1ccc(Cl)cc1 17271131 ACHMVQJBMHDDAJ-KRWDZBQOSA-N 447.988 5.099 0 40 IKAB Cc1cc(Oc2ccc(N(C)C)cc2)cc([C@@H]2CCCN(C(=O)c3cc(C4CC4)on3)C2)n1 19570221 MHRZWIRKIZLSMH-LJQANCHMSA-N 446.551 5.134 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4ccccc4F)cc3)nc2c1 19646199 FRKSTTGLLCPFJT-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(COc3ccc(C(C)C)cc3)[nH]n2)C1 19704294 HGVKFRBLBICYBS-QFIPXVFZSA-N 435.616 5.496 0 40 IKAB CCCCC1CCC(C(=O)Nc2nc(-c3ccc4c(c3)NC(=O)[C@@H](C)O4)c(C)s2)CC1 19796586 BFNMMDKFHCYMNE-ODIFPOPNSA-N 441.597 5.773 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20107376 XPCHVEIYBCNNBK-HRFSGMKKSA-N 444.600 5.303 0 40 IKAB CC(C)(Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1 20133235 LHWARQJIKFIKRP-UHFFFAOYSA-N 439.762 5.641 0 40 IKAB COc1cc([C@@H]2O[C@@H]3CCCC[C@@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 20228685 OEDFWOKQVJHDQD-XCIGCYOISA-N 444.527 6.149 0 40 IKAB COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C2CCCC2)C12CCCCC2 20736959 JGBDGQGSYHCXQA-XMMPIXPASA-N 432.564 5.519 0 40 IKAB CCOc1cc(NC(=O)[C@H](CC)c2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 20886026 LNRUQPIRFFDIMQ-OAQYLSRUSA-N 446.547 5.869 0 40 IKAB COc1cc(CN[C@H](C)c2ccccc2)cc(Br)c1OCc1cccnc1 22076919 LNOXNNOXPWBLGL-MRXNPFEDSA-N 427.342 5.283 0 40 IKAB Cc1cccn2c(NC(=O)c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)nc12 26687854 OFHBBMSIGVGCTH-UHFFFAOYSA-N 440.728 5.978 0 40 IKAB Cc1c(Cl)cccc1-n1c(SCc2noc(CC(C)C)n2)nc2ccccc2c1=O 30790194 UUTDJHCTXSYBKI-UHFFFAOYSA-N 440.956 5.221 0 40 IKAB Cc1cc2ccccc2n1CC(=O)Nc1ccc(I)cc1C(C)C 32125031 MBHCWQJAAJMCFI-UHFFFAOYSA-N 432.305 5.316 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2N2CCN(C(=O)c3ccccc3)CC2)cc1 32125309 OFSTZBGWUOLOOI-UHFFFAOYSA-N 441.575 5.199 0 40 IKAB COc1ccc(Cn2nccc2NC(=O)c2oc3ccc(Br)cc3c2C)cc1 32593705 VDDAUSNSLTYILE-UHFFFAOYSA-N 440.297 5.009 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccccc2[C@H](C)CC)cc1Br 34965515 WCVYFIAPBHWVAB-CYBMUJFWSA-N 435.387 5.488 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)c1 35840036 LZJAARHNDNUNLR-UHFFFAOYSA-N 440.399 6.766 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(-c3cn4c(n3)CCCC4)cc2)cc(OCC)c1OCC 40156297 WAIICSOJGLUCTC-UHFFFAOYSA-N 449.551 5.335 0 40 IKAB CN(C)S(=O)(=O)c1ccc2nc(SCc3c(Cl)cccc3Cl)sc2c1 59417625 AQQQTYBBHDFFMT-UHFFFAOYSA-N 433.407 5.146 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)cc1 67216881 SOYXKEGRMHAZKX-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OCc1ccccc1 72214828 JXPWNYHTPYJUEQ-NRFANRHFSA-N 439.556 5.707 0 40 IKAB CCCc1ncc(-c2onc(C)c2C)c([C@@H]2CCCCN2C(=O)c2ccc(N(C)C)cc2)n1 72390735 GVUMFDGNEPFZOF-QFIPXVFZSA-N 447.583 5.134 0 40 IKAB Fc1ccc([C@H]2C=C(c3ccc(Cl)cc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100841448 JYJRWSQZRBROFA-OAQYLSRUSA-N 437.305 6.447 0 40 IKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC(C)C)cc1 104153590 YJVOYPLHJOXXDS-SANMLTNESA-N 432.564 6.534 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 107041909 AXVWVOKVRMTZBI-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(C)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915030 QXDFHJAYYMOLSW-ZKOFTHTHSA-N 436.680 7.600 0 40 IKAB C[C@H](O[C@@H]1OCCN(Cc2ccccc2)C1=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 164711444 KVPJNHLVRGUYGQ-DJJJIMSYSA-N 447.375 5.187 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223053323 RFRMYRMGUBNZFI-SANMLTNESA-N 432.608 5.433 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCc1ccccc1)c1ccccc1 223414228 YNTKHXUPFVRUMA-AREMUKBSSA-N 448.994 5.569 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1ccc(CSc2ccccc2)cc1 223544831 DTTWUMYKPIZQIQ-UHFFFAOYSA-N 431.985 6.643 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223818963 DMQNQFAHRRHICG-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)cn1 224008307 COIYTTWYHKVOTB-IBGZPJMESA-N 440.632 5.788 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccccc1 224180689 RVNZYCVUQVLRNT-DHIUTWEWSA-N 431.948 6.172 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(CC)cc2)cc1COc1ccccc1C(C)(C)C 224509323 SWXHUNLQBHGRRQ-UHFFFAOYSA-N 431.576 6.777 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(F)cccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 224758268 ROKLKHGTBPMWGY-GOSISDBHSA-N 444.978 5.196 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 225606180 UXIBHRRLJVNZBN-UGKGYDQZSA-N 445.003 5.058 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c2ccccc2O1 225689061 GSHALHNVXNFRDO-HXUWFJFHSA-N 431.598 5.488 0 40 IKAB Cc1c(C(=O)O)c2ccccc2n1C(=O)c1ccc(-c2ccc(F)cc2Br)o1 226769475 OHYJHDRBNNGYAK-UHFFFAOYSA-N 442.240 5.498 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@@H](Cc4ccc5ncccc5c4)C3)CCOCC2)c1 257248897 JFSDTYHQPKDEHM-QHCPKHFHSA-N 428.576 5.073 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)no1)N1CCC[C@@H]1c1ncc(Cc2cccc(F)c2)o1 257339471 ZBWDHDRAXHVSGO-OAQYLSRUSA-N 435.430 5.176 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)N=O 257350636 YWKIAPGRTFZIHG-DQWDWBGKSA-N 436.124 8.809 0 40 IKAB COc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408574247 LFVHANKHLVXUAX-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2cccc(C)c2)cc1 408699198 VKPCYHQMLDQTRT-UHFFFAOYSA-N 434.499 5.657 0 40 IKAB COc1ccccc1N1CCN(Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)CC1 408875921 MKQYNEASADSUKS-UHFFFAOYSA-N 449.982 5.232 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3Cl)CC2)cc1 409050833 AUXPBOXRXYLMBI-UHFFFAOYSA-N 433.379 5.782 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccccc2)C(=O)N1CCOc1ccc(F)cc1 409054279 UDKFPIZIBCAUJV-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1C 409094264 DAWDSJYYSJVKKD-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB CCc1ccc(-n2c(SCC(=O)NCC(C)C)nnc2-c2ccc(Cl)cc2)cc1 409211419 NDUPPLICZGXJGE-UHFFFAOYSA-N 428.989 5.014 0 40 IKAB COc1cc(CNc2ccc(NC(C)=O)cc2)ccc1OCc1c(F)cccc1Cl 624234 OOFHXFZMMRYYNK-UHFFFAOYSA-N 428.891 5.637 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 692998 QEGDZVHORLCBPO-UHFFFAOYSA-N 436.920 5.013 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(SCC(=O)Nc4cccc(C(F)(F)F)c4)c23)C1 873233 BVEGDEZRHFFXNH-NSHDSACASA-N 437.512 5.566 0 40 IKAB C[C@@H](Sc1nnc(-c2cccnc2)n1-c1cccc(Cl)c1)C(=O)Nc1ccccc1 874247 NRVMCIUQKKWTIR-OAHLLOKOSA-N 435.940 5.102 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)cc1 1224674 YRFGJBGPHQIRRI-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB O=S(=O)(c1ccccc1)N1CCc2cc(-c3csc(Nc4ccccc4)n3)ccc21 1354490 DZBXOXWTGPUKGO-UHFFFAOYSA-N 433.558 5.305 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)c3ccccc3OC)cc2c1 1359374 APNBROTZODOEHU-UHFFFAOYSA-N 444.506 5.081 0 40 IKAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc2c(c1)CCN2C(=O)CC(C)(C)C 1366794 GQVXZFBQIRNLPK-UHFFFAOYSA-N 434.565 5.091 0 40 IKAB COc1ccc(OC)c2nc3c(cc12)CCc1c-3n(Cc2ccccc2C)c2ccccc12 1385166 UVWZBBXZBFGSSB-UHFFFAOYSA-N 434.539 6.329 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)cc1 2073963 YSQGCFLTIXDYIS-LJQANCHMSA-N 428.561 5.670 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@]1(C)CC1(Cl)Cl 2103080 SKCVYBBQWPLTET-GOSISDBHSA-N 446.783 6.156 0 40 IKAB CCOc1ccc(CC(=O)Nc2sc3c(c2C(=O)OC(C)C)CCCC3)cc1OCC 2192739 BWAKWAYKBDCMNJ-UHFFFAOYSA-N 445.581 5.171 0 40 IKAB Cc1ccc(C2=N/C(=C/c3ccc(OCc4ccc(Br)cc4)cc3)C(=O)O2)cc1 2270619 KWTCVVNMQUHIDY-HYARGMPZSA-N 448.316 5.681 0 40 IKAB CC(C)CCSc1nc2ccc(NC(=O)c3ccc(Br)cc3)cc2s1 2356009 HZCTZFJREBCTBB-UHFFFAOYSA-N 435.412 6.449 0 40 IKAB Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c(Cl)c1 2521604 JDZUWXRNKHXZFE-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB CCc1cc([C@@H](c2cccc(Cl)c2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 2551886 XZZYBFZNQQYUGG-HSZRJFAPSA-N 439.024 6.792 0 40 IKAB CCOc1ccc2c(c1)c1nnc(-c3ccc(F)cc3)c-1cn2Cc1ccc(OC)cc1 2690643 HCPJRDYTJXOULL-UHFFFAOYSA-N 427.479 5.798 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 2753951 NBFNKMJQWUPSOO-UHFFFAOYSA-N 448.488 7.470 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(Cl)cc1 2798556 FPUCYSMVTOHUAU-LBPRGKRZSA-N 437.874 5.935 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cc(-c2cccs2)nc2ccccc12 3240285 PNPDCZGBABKANI-MHZLTWQESA-N 449.531 6.744 0 40 IKAB O=C(Oc1ccc2c(=O)c(-c3cnn(-c4ccccc4)c3)coc2c1)c1ccccc1Cl 3252737 LIHYLGZBTZYBCG-UHFFFAOYSA-N 442.858 5.518 0 40 IKAB C[C@H](Sc1nc2cc(Cl)ccc2c(=O)n1-c1ccccc1)C(=O)N(C)c1ccccc1 3362487 CXANYQSJRSMMLC-INIZCTEOSA-N 449.963 5.183 0 40 IKAB COC(=O)[C@]1(C)CCC[C@@]2(C)[C@@H]1CC[C@]13C=C(C(C)C)[C@H](C[C@H]21)[C@H]1C(=O)CCC(=O)[C@H]13 4028972 DCGMIQMNIOQACA-FTTDOVMBSA-N 426.597 5.149 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(Cl)cc4)nc3c2)c1 4122979 AGHPXKFCVQYSGU-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(-c3ccccc3)cc2)sc2c1CC[C@@H](C)C2 8432151 BLYJFJOYWDBESV-QGZVFWFLSA-N 433.573 6.359 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C/c4ccc(Br)cc4)ccc3o2)cc1 8448890 MFTCSLFIZJKFQC-YIXHJXPBSA-N 449.304 5.918 0 40 IKAB CC(C)(C)c1oc(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1COCC(F)(F)F 8815720 KVWWNAPFWHTHBA-UHFFFAOYSA-N 445.437 6.808 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3C)nc2c1 8831169 QTUFFTNNKFVDJI-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1OC 8903956 GARQMLBZUACDEK-UHFFFAOYSA-N 438.867 5.183 0 40 IKAB CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(C)cc3)c3ccc(Cl)cc32)cc1 8922706 RABIIEYBWSXKTL-SANMLTNESA-N 449.934 5.055 0 40 IKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(Cl)c2)c1 9216216 YYPWKRGXSBTUSO-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccccc1F)c1ccccc1 9354989 KPIHMKXGWXNFIX-SANMLTNESA-N 449.529 5.938 0 40 IKAB Cc1cccc(CSc2nnc(Cn3c(=O)sc4ccccc43)n2-c2ccccc2)c1 9382827 XYQFSQNLROQLNY-UHFFFAOYSA-N 444.585 5.293 0 40 IKAB COc1ccc(CCn2c(C)c(C)c(-c3nc4ccccc4[nH]3)c2NC(=O)C(C)C)cc1 9421293 CLFGDZLSKFZWPL-UHFFFAOYSA-N 430.552 5.494 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc2cc(Cl)ccc2s1 9512834 KXLBPEFWDHYDGE-NSHDSACASA-N 434.011 5.871 0 40 IKAB CCc1cccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc12 9542672 QQXMWPWSAICHKE-UHFFFAOYSA-N 443.572 5.613 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2S(=O)(=O)c1cccs1)c1ccc2ccccc2c1 9569288 ULMXRYIMQPUULD-UHFFFAOYSA-N 448.569 5.295 0 40 IKAB Cn1c(Cc2cccs2)nnc1S[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 9603599 AQJKHZYSNASGDP-FQEVSTJZSA-N 438.553 5.079 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)ccc2OC)cc1 10109656 NBQSRGGTLFPDHI-UHFFFAOYSA-N 442.471 5.468 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12447769 WAUHMWKUQMKFPU-NSYGIPOTSA-N 448.975 5.517 0 40 IKAB C[C@H](SCC(=O)Nc1ccc(F)cc1)C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 12550046 GDELKDSADKXXGL-HNNXBMFYSA-N 448.523 5.068 0 40 IKAB CCOC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccn1 12593892 DOISAMDSGBKQGX-UHFFFAOYSA-N 431.311 5.002 0 40 IKAB CCCn1c(NC(=O)[C@H](C)SCc2ccc(Br)cc2)nc2ccccc21 12700366 LTSPDYMKFHQXLY-AWEZNQCLSA-N 432.387 5.469 0 40 IKAB C[C@@H](Sc1ncnc2c1cnn2-c1ccccc1)C(=O)Nc1cccc(Cl)c1Cl 12781984 VSLYOKLCCCSMNH-GFCCVEGCSA-N 444.347 5.242 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nnc(Nc2ccc(C)c(Cl)c2)s1 12784080 XVBQJRRZDBAIBJ-UHFFFAOYSA-N 434.974 5.291 0 40 IKAB O=C(CCC(=O)c1cccs1)NCCC(=O)Nc1ccc(-c2cc3ccccc3o2)cc1 12786668 HGXHTYGKLSXTIW-UHFFFAOYSA-N 446.528 5.269 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)CN(Cc1ccc2c(c1)OCO2)C1CCCC1 12895247 RVZLNRJTKKIMAG-UHFFFAOYSA-N 436.596 6.045 0 40 IKAB CCc1cccc2c(SCC(=O)NCc3ccc(F)cc3)nc(-c3ccc(F)cc3)nc12 13084486 GFAZHRZZHMBJBB-UHFFFAOYSA-N 449.526 5.546 0 40 IKAB O=C(/C=C\c1ccccc1)N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl 13305792 WVOIEORSEWMOPI-BCTQVIJGSA-N 449.559 5.354 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccccc4Cl)ccc32)cc1 13583681 OVVDOGSBXZHKBZ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2Cl)c1 13668979 OUMDEFYCZOCLRB-INIZCTEOSA-N 440.952 5.041 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2Cc2ccco2)cc1 13787492 LQCRXNJSFVFMPE-UHFFFAOYSA-N 432.549 5.242 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3n2)cc1 14272664 QOVUIHFGCIXVOZ-UHFFFAOYSA-N 442.906 5.878 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Oc3ccccc3)c2)N1c1ccccn1 16736035 NDXOVLVPXAWXLZ-VWLOTQADSA-N 446.462 5.730 0 40 IKAB COc1cccc(-c2nn(Cn3cc(Cl)cn3)c(-c3cccc(OC)c3)c2Cl)c1 17096324 SHQVMJLMVCHDDC-UHFFFAOYSA-N 429.307 5.243 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1C 17098868 MAHXGFUXKOXKCP-UHFFFAOYSA-N 434.505 7.518 0 40 IKAB CCCCCCc1c(O)nc(SCCN(CCC)CCC)n(-c2ccccc2)c1=O 17159746 FDHJHQORZTXYOM-UHFFFAOYSA-N 431.646 5.275 0 40 IKAB COc1cc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)ccc1OCc1ccccc1 18194347 YSLMYQJNAORWGN-UHFFFAOYSA-N 438.552 7.060 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN3C(=O)c3ccc(OC)cc3OC)c2)cc1 19691369 FJDCBCURHNKUMH-DEOSSOPVSA-N 432.520 5.060 0 40 IKAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCc1ccc(OC)c(OC)c1 19792096 UUJMUEZTDVHYSB-UHFFFAOYSA-N 428.916 5.045 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1 19855849 XCZHYESHPGPZGT-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(-c3ccc(CO)o3)c(C)c2)cc1Br 20142380 SQKOKIAKYMBNEP-UHFFFAOYSA-N 430.298 5.161 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 20456308 HTVGLWFZKVWUEY-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(C)cc2)n2c(nc3ccccc32)N1 20797387 FZCARNRHOCBJTP-HSZRJFAPSA-N 428.923 5.926 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 21631568 AVKBRDLXGIWOBB-INIZCTEOSA-N 428.970 5.086 0 40 IKAB Brc1ccc(OCc2ccccc2)c(CNC2C3CC4CC(C3)CC2C4)c1 22073748 FMLPPKKZBAQMBO-UHFFFAOYSA-N 426.398 5.942 0 40 IKAB CCN(C(=S)Nc1ccc(F)cc1)c1ccc(Oc2ccc(C(C)(C)CC)cc2)cc1 26780225 UYQZAAXQIIVNAM-UHFFFAOYSA-N 436.596 7.529 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 30945243 YGGWKOAFXHPMOS-FQEVSTJZSA-N 445.994 6.319 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 32111930 BAMFKKKNMJLIHP-UHFFFAOYSA-N 442.515 6.425 0 40 IKAB Cc1cc2oc(C(=O)N(C)[C@@H](c3cccs3)c3c[nH]c4ccccc34)cc(=O)c2cc1C 32593462 YWLVXHMGYWDZPS-RUZDIDTESA-N 442.540 5.814 0 40 IKAB O=C(Cc1csc(-c2ccccc2Cl)n1)Nc1cccc(OC[C@H]2CCCO2)c1 32776652 NYBWREXGGZWUGC-GOSISDBHSA-N 428.941 5.203 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2Cl)S/C1=C/c1ccc(Br)cc1 35647590 JQURBZVCUWDVTH-VGOFMYFVSA-N 428.138 5.648 0 40 IKAB COc1cc([C@@H]2O[C@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 35741612 OEDFWOKQVJHDQD-GTFGCAHESA-N 444.527 6.149 0 40 IKAB COc1cc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 36614595 HORBLPIYENOYJM-WMIVCRMASA-N 449.591 5.432 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 39013169 OOUCIUZOGLWLAN-NDDUEHJASA-N 430.717 6.996 0 40 IKAB biogenic CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(Nc3ccccc3)C2=C(N2CCCCC2)C1 49676349 KJNJBYDCXNGCDM-HKBQPEDESA-N 434.524 6.685 0 40 IKAB Cc1cccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c1 57486948 BGDHWHWOYGZQHJ-UHFFFAOYSA-N 442.397 5.051 0 40 IKAB O=C(/C=C/c1ccccc1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 69147138 YCZUWCLURPMJHI-WUKNDPDISA-N 438.571 5.167 0 40 IKAB COc1ccc(C(F)(F)F)cc1N/C=C\c1nnnn1-c1ccc(Cl)c(Cl)c1 100661705 MBOYXBPNMMLRQZ-SREVYHEPSA-N 430.217 5.079 0 40 IKAB COc1cc([C@H]2Sc3ccccc3N=C3C2=C(O)c2ccccc23)ccc1OC(C)=O 101429297 JBSXCIIACCSYSH-RUZDIDTESA-N 429.497 5.871 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(NC(=O)NCCSCc5cccs5)(C4)C2)C3)cc1 101486112 TVZHXIKYQDSMGU-JSZXIJHASA-N 440.678 5.880 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)C1 118927940 JOBAYBRAHVTSSW-VDJOWXGMSA-N 442.728 8.206 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(Cl)cc2Br)cc1 218857070 RERXEHZUDWJLTE-UHFFFAOYSA-N 440.765 5.018 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)cc1C(C)C 223323276 CCAGYPBHPLWGPU-AWEZNQCLSA-N 430.397 5.614 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224337179 WOAYFYZVQVDHMS-HSZRJFAPSA-N 443.031 5.514 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224629752 XGFJGVSBVNCMJW-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1Cl)[C@H](C)C(=O)NC1CCCCC1 224700243 UWLYXZQTTLDHNW-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)N1CCCCCC1 224945200 WTROLEFLRQZOAC-UHFFFAOYSA-N 425.326 5.787 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 225163565 NPDNSOXGWCSSIU-VQTJNVASSA-N 443.031 5.728 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 225557425 WIIQMYHBMPCNGV-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB S=C(Nc1ccc(Br)cc1)NC1(CCc2ccccc2Cl)CCCC1 225846498 MPBCMYSFLFOSJZ-UHFFFAOYSA-N 437.834 6.335 0 40 IKAB Nc1nc2c(Br)cc(NC(=O)C(c3ccccc3)c3ccccc3)cc2s1 226311588 QKRLDARYNQDHNH-UHFFFAOYSA-N 438.350 5.412 0 40 IKAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1(c2ccc(Cl)cc2)CCCC1 244975125 ICJLCUDXOOLXTF-QFIPXVFZSA-N 432.010 5.327 0 40 IKAB O=C1CCC[C@]2(CN(Cc3ccc(Oc4ccccc4)cc3)C[C@H]2c2ccccc2F)N1 257319803 VUCDJLPDRRVSFC-RPLLCQBOSA-N 430.523 5.256 0 40 IKAB Cn1c(C(=O)N2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cc2cc(F)ccc21 257337466 YSWPFPXMSTWTQD-UHFFFAOYSA-N 445.513 5.462 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1cccc(Cl)c1 408558316 QMBOMTSKJDBSGC-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCc1ccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 408573226 JFWZXTQQGPJFJG-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB S=C(NCc1ccco1)c1cc(Br)ccc1OCc1ccccc1Cl 408577246 SBOWNTGMYUXFFI-UHFFFAOYSA-N 436.758 5.740 0 40 IKAB O=C(NC1CCCCCCC1)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 408621436 RVJPDCYZQJDGEL-SANMLTNESA-N 436.621 5.346 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)cc2)cc1 408638784 DNBOULZPYRXRLS-NRFANRHFSA-N 436.511 5.932 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccccc2C(=O)Nc2ccc3ccccc3c2)cc1 409179675 RMVRJURLQWJGHB-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB COc1cccc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccc(Cl)cc3)n2C)c1 409195417 PSPSYTBXYLJDTA-LCUIJRPUSA-N 434.948 5.824 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409348058 OPWQGTMQSWYKLS-OJSPLJLUSA-N 438.549 5.156 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3ccc(F)cc3)Cc3ccccc32)c1 643563313 OMHNWJCZGZRBRU-UHFFFAOYSA-N 446.566 6.057 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 872060 ULFURNGLNLUBHO-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB CCN(C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1)c1nc(-c2ccccc2)cs1 882051 KMSOOQOETMSBJQ-UHFFFAOYSA-N 444.585 6.186 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)N[C@H](C)c3ccccc3)cc2c1 884415 JRVSRQFBILPVCS-GOSISDBHSA-N 447.629 5.536 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc2oc(-c3cccnc3)nc2c1 1265613 SVPZVGZVQPSGRM-QPJJXVBHSA-N 440.286 5.857 0 40 IKAB CCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)ccc21 1366630 VUIBXJCQFQNSCV-UHFFFAOYSA-N 425.941 5.323 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OCc3ccc(Cl)cc3Cl)cc12 1797683 XJAYNMQODMZWQD-UHFFFAOYSA-N 441.310 7.162 0 40 IKAB biogenic Cc1ccc(Oc2ccc(NC(=O)c3cc(-c4ccccc4)nc4ccc(C)cc34)cc2)cc1 2079525 FOQLSHBICCYYAM-UHFFFAOYSA-N 444.534 7.563 0 40 IKAB Cc1ccc(Cn2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1 2255932 PBQCCVOTBYJIIK-UHFFFAOYSA-N 429.321 5.766 0 40 IKAB O=Cc1cn(-c2ncc(C(F)(F)F)cc2Cl)c2ccc(OCc3ccccc3)cc12 2567123 RHEASJFASGFLNY-UHFFFAOYSA-N 430.813 6.089 0 40 IKAB COc1ccc([C@H](Nc2ccccc2I)[C@H]2CCCCC2=O)cc1 2589194 SALSQZUNPVNDJT-JXFKEZNVSA-N 435.305 5.212 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccccc4C(C)(C)C)c3n2)cc1 2770300 SLSVJOOEEKYZBC-UHFFFAOYSA-N 434.490 6.192 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Br)cc4)ccc3o2)cc1 2886919 SFGUGZSYZYXLAO-UHFFFAOYSA-N 437.289 5.810 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cn(-c2ccccc2)nc1-c1cccs1 3166516 YCCFXUHWPFOQHQ-UHFFFAOYSA-N 447.869 6.525 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](OC(=O)c1cc2ccccc2cc1O)c1ccccc1 3275220 ZUGBQHLVELJPCA-VWLOTQADSA-N 441.483 5.481 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)c(OC)c1 3294830 XPXMPLHULQLADS-UHFFFAOYSA-N 449.507 5.184 0 40 IKAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)Oc1ccc(Br)cc1Cl 3327072 HPBRPWOHDSZTQJ-UHFFFAOYSA-N 445.696 5.318 0 40 IKAB Clc1cc(Cl)c(OCc2nnc(-c3ccccc3Br)o2)cc1Cl 3450804 GUQCCDROELBEAU-UHFFFAOYSA-N 434.504 6.038 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@H](Nc1ccccc1)c1ccccc1 6402941 RYYOZEZJEQLLOR-VWLOTQADSA-N 427.525 7.689 0 40 IKAB CCc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8755205 MNZMDRPTPKHOMM-GOSISDBHSA-N 447.941 5.960 0 40 IKAB Cc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(CCC(C)C)C2(C)C)cc1 8926370 IESWCZIMZMMQTJ-JOCHJYFZSA-N 438.572 5.620 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(SCc3nnc(-c4ccccc4)o3)[nH]c(=O)c12 8943387 BDFMNWAQKDLUGC-GFCCVEGCSA-N 426.567 5.224 0 40 IKAB CSc1nc2ccc(NC(=O)c3c(C)nn(-c4ccc(F)cc4)c3Cl)cc2s1 9255394 WWXVZVLNTYNIKI-UHFFFAOYSA-N 432.933 5.557 0 40 IKAB c1ccc(COc2ccc(CNc3nc4ccccc4n3CCN3CCCCC3)cc2)cc1 9356291 IWEPOJPZAPUASS-UHFFFAOYSA-N 440.591 5.713 0 40 IKAB CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1cc(C)on1)C3=O 9452941 IZQDABOJYUPGQL-QHCPKHFHSA-N 428.488 5.525 0 40 IKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)N(C)C1CCCCC1 9477146 GOYHEVCMOQWBFE-HNNXBMFYSA-N 449.020 5.117 0 40 IKAB O=C(Nc1nc(-c2cccs2)c(NC(=O)c2ccco2)s1)c1ccc(Cl)cc1 9485956 BQYCEEVLHBHYDZ-UHFFFAOYSA-N 429.910 5.623 0 40 IKAB O=C(Nc1cccc(-c2cc3ccccc3oc2=O)c1)c1c(F)c(F)c(F)c(F)c1F 9668137 CJROXKLLCFBUTE-UHFFFAOYSA-N 431.316 5.408 0 40 IKAB CCOc1ccc2nc(N(CCN(CC)CC)C(=O)/C=C/c3cccs3)sc2c1 10066473 WOWPJVSYYOBQTG-ZRDIBKRKSA-N 429.611 5.145 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2sc3ccccc3c2Cl)nc1-c1ccccc1 11666927 RNWZNRSCUAFKSD-UHFFFAOYSA-N 442.949 6.107 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3cc(Br)ccc3Cl)ccc2OC)cc1 12035010 KYTKZLNCUIGGTJ-UHFFFAOYSA-N 446.728 6.039 0 40 IKAB CCc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 13026793 RWQPZSWFGHLJCV-RUZDIDTESA-N 448.538 5.424 0 40 IKAB COc1ccc([C@H](CNC(=O)CCCSc2ccc(Cl)cc2)N2CCCCC2)cc1 13134106 ZAPPWBISYXAEGR-QHCPKHFHSA-N 447.044 5.564 0 40 IKAB COc1cc(COc2ccc(/C=C3/N=C(C)OC3=O)cc2)ccc1OCc1ccccc1 13407325 DJKTVKPCRKYJOD-OEAKJJBVSA-N 429.472 5.169 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628240 JDJOHUOQEAPUGY-LJQANCHMSA-N 430.548 5.951 0 40 IKAB CCOc1ccc(NC(=O)c2nnc3c(-c4cccc5ccccc45)c(C)nn3c2C)cc1 13635666 AGYMHVRFEVGJGW-UHFFFAOYSA-N 437.503 5.212 0 40 IKAB COCc1nn2c3c(cnc2c1-c1ccc(OC)cc1)C(=O)C[C@H](/C=C/c1ccccc1)C3 13638343 WKSNDAZUMOFOJB-CSHXORCISA-N 439.515 5.010 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)c1ccc(OCc2ccccc2Cl)cc1 13687537 UMWHUBAXMINRBK-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB COc1cc(NC(C)=O)c([C@@H](c2cccc(Br)c2)c2ccc(C)o2)cc1OC 13773787 ZNRDOAGWDOFPPY-JOCHJYFZSA-N 444.325 5.506 0 40 IKAB O=C1N/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(Cl)cc1 13894860 FXYFOXSVKKSPPA-LPYMAVHISA-N 436.870 5.151 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ccc(C)cc3o2)c1 13946107 HUFCYDVUYJESNL-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB COc1cc2c(cc1NC(=O)c1ccccc1OCc1noc(C)n1)oc1ccccc12 14186611 MCCSTAJUBSUKAX-UHFFFAOYSA-N 429.432 5.117 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cccc1C(=O)O 14269979 SXCVSDASRVTEJM-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1cc(Cl)ccc1Oc1ccccc1 14671144 HWJCXISZRFRFHO-UHFFFAOYSA-N 437.858 5.893 0 40 IKAB Nc1c(C(=O)Nc2cccnc2Cl)sc2nc3c(cc12)C[C@@H](c1ccccc1)CC3 15277073 VTVCDHGWRWFMKN-AWEZNQCLSA-N 434.952 5.452 0 40 IKAB CC(C)CCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 16042465 ZFLYROOQBJFYQF-SHQCIBLASA-N 443.591 5.022 0 40 IKAB biogenic COc1cc(NC(=O)c2ccccc2)c(C)cc1NC(=O)Nc1cccc2ccccc12 16268148 FUUWIYLDJQBXBJ-UHFFFAOYSA-N 425.488 6.053 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 20237971 WKVODPGVGRYRJG-UHFFFAOYSA-N 444.644 5.470 0 40 IKAB Cc1cc(C)c(OCC(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(Cl)c1 20411332 FHAJEWMNUDWAGM-UHFFFAOYSA-N 448.950 6.906 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)COc2ccc(Br)cc2Cl)cc1 20481538 ACVAYOPTEBHZDO-GOSISDBHSA-N 440.765 5.394 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(C)cc3C)ccc2C)cc1 20484928 CJWXKSNMBPJUCG-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(OCc2ccccc2Cl)c1 22258009 BSIFFZGYDZYLNJ-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccc2)c2cccc(F)c2)c1C 26770907 FVEAYCONINERQC-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB CCOc1ccc(N2C(=O)[C@@H](c3ccccc3)N(c3ccc(OCC)cc3)C2=S)cc1 28405714 QWDCLYMNTZSBIV-HSZRJFAPSA-N 432.545 5.363 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1)c1ccccc1 30756415 OZYJRZAPMZCXQM-QFIPXVFZSA-N 436.577 5.294 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCCCO[C@@H](C)c1ccccc1 32425814 XLALKWGZNQMFIU-INIZCTEOSA-N 427.595 5.133 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccc(NC(=O)Nc4cc(Cl)ccc4C)cc3)nc2c1 33068030 XMSGBVZFGQHOFF-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3Cl)ccc2C)c1 35124578 CUIMVTKSIJMVQW-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1nc2oc(C(=O)c3ccccc3)c(NC(=O)c3ccco3)c2c(C)c1Br 36559023 AYXOKFSVVKRLEZ-UHFFFAOYSA-N 439.265 5.283 0 40 IKAB CC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 38299874 NIJKPJNXBCARQP-GPJXBBLFSA-N 427.717 7.533 0 40 IKAB CCOC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087389 RSBYNWMIDIVCFU-UHFFFAOYSA-N 441.767 6.155 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1c(Cl)cccc1Cl 62714841 PTOWHDHDGDLOMK-WUXMJOGZSA-N 444.314 5.939 0 40 IKAB Cc1ccc(-c2nnc(Cc3nc(-c4ccccc4OCc4ccccc4)no3)o2)cc1F 65185530 SSTGKCDXZNDHHG-UHFFFAOYSA-N 442.450 5.404 0 40 IKAB CSc1ccc(NC(=O)c2oc3ccccc3c2CSc2ncccn2)cc1F 72296886 KYDQSWUMBQQEAX-UHFFFAOYSA-N 425.510 5.628 0 40 IKAB O=C(Nc1ccc(Cl)cn1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F 72307099 BQWUEHCFGUQGEU-UHFFFAOYSA-N 434.727 5.211 0 40 IKAB CC(c1ccccc1)(c1ccccc1)c1nn2c(C34CC5CC(CC(C5)C3)C4)nnc2s1 72333561 WVXXVVWNMNHLKT-UHFFFAOYSA-N 440.616 6.008 0 40 IKAB Cc1nc(C)c(-c2nnc(SCC[S@](=O)c3cc(Cl)ccc3Cl)o2)s1 84062531 OEEISXKPVAFUIF-RUZDIDTESA-N 434.395 5.017 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nc(-c2ccccc2Cl)no1 89662044 QAMLRPXMMZCXPN-OALUTQOASA-N 446.979 5.144 0 40 IKAB COc1cccc2[nH]cc([C@@H](CC(=O)NCc3ccco3)c3cccc(OC(F)F)c3)c12 95474349 YALMIEOXBAMSPJ-SFHVURJKSA-N 440.446 5.209 0 40 IKAB O=C1C2[C@@H](c3ccccc3)N[C@H](c3ccccc3)C1[C@H](c1ccccc1)N[C@@H]2c1ccccc1 95869668 ITTQAMYBEGYMAS-SHIBZZATSA-N 444.578 5.960 0 40 IKAB in-vitro CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(C)cc4)[C@H]2C3(Cl)Cl)cc1 100558502 JALKQRRLGKTKIG-WXFUMESZSA-N 425.355 6.617 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@H](c3cccc(F)c3)C2=C(O)C1 102509375 TUFKYZNHNOFOGI-HXUWFJFHSA-N 432.417 6.181 0 40 IKAB O=C1S/C(=C\c2c[nH]c3ccc(Br)cc23)C(=O)N1Cc1ccc(Cl)cc1 106686930 XSDNATGFRFKUFM-IDUWFGFVSA-N 447.741 5.820 0 40 IKAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764525 CLAQVFBXPHPALT-KRWDZBQOSA-N 436.939 5.700 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CSc1ccc(Cl)cc1 222563612 WSAUCKSUOQGLOY-GCJKJVERSA-N 447.044 5.197 0 40 IKAB CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)CCCSc1ccc(Cl)cc1 222697488 HBRSGHYQPYGFOT-UHFFFAOYSA-N 436.364 5.574 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222984394 VIUNKXGZTXRCBB-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1C 223011232 RHMOZKBACUFQRQ-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB COc1ccc(S(=O)(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1C(C)C 223702963 COOMATGMJDTNSM-UHFFFAOYSA-N 443.540 5.015 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1CSc1ccc(Cl)cc1 224350559 ZCAMEJOQNOWFHV-UHFFFAOYSA-N 427.953 6.210 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1ccccc1Cl 224479811 ASUQSDJUFOMOMN-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccccc1Cl 224479968 ICNHQWVPNCJOLO-UHFFFAOYSA-N 439.895 5.341 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 224596365 FMEKUBDBIMPUGY-GOTSBHOMSA-N 446.963 5.408 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cc(C)cc(C)c1C 224607158 QQIOPOTYZLKTKT-UHFFFAOYSA-N 433.548 5.528 0 40 IKAB Cc1ccc(N(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)cc1 224628951 BXPUMMLJYHUKOR-UHFFFAOYSA-N 436.533 5.079 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224885309 BNKUPIATYIOAQD-DHIUTWEWSA-N 446.963 5.408 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N(Cc1ccccc1)Cc1ccccc1 224894796 USUVTKZVJHEJGJ-UHFFFAOYSA-N 444.534 6.851 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)c1C 224941037 KULXTVKLCNQHIB-UHFFFAOYSA-N 447.332 6.640 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N(C)Cc2nc(-c3ccc(Cl)cc3)no2)c1 225011379 YNUIYZUAZTZZMO-MRXNPFEDSA-N 427.932 5.248 0 40 IKAB COC(=O)c1cccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)c1 225032869 LTAVHVNFONNGNO-DHIUTWEWSA-N 447.560 5.043 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)COc1ccccc1C(C)(C)C 225129614 NENCGCCJRXGPNH-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 225692039 LSRDFNZQXMKRJC-FQEVSTJZSA-N 434.555 5.101 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCC2)cc1C(=O)OCC 225750773 UDOKRLAVIKDGMV-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2Cl)o1 227146028 IBRDRJITQFYQOO-WEVVVXLNSA-N 431.717 5.905 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 245295542 HAQUBYZYPMXCSI-HNJSHPOXSA-N 438.571 6.634 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)c1ccc(Br)cc1 253573579 ROWPDVQLJPXNFO-UHFFFAOYSA-N 432.387 5.010 0 40 IKAB Cc1cc(Nc2cccc([C@H]3CN(C(=O)c4oc5c(C)c(C)ccc5c4C)CCO3)n2)no1 257240781 HVFGTFVYYRAZAC-HXUWFJFHSA-N 446.507 5.007 0 40 IKAB Cn1c(Cc2cccc3ccccc23)nnc1SCC(=O)Nc1ccc2ccccc2c1 408560584 LEJUPBXMLUWSLZ-UHFFFAOYSA-N 438.556 5.443 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccccc1C(C)C 408595316 GTXURZRIRQGDOA-UHFFFAOYSA-N 438.597 5.348 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(F)cc1 408612553 SLVCKDIWCBIOCA-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Br)cc2)o1)Sc1nc2ccccc2[nH]1 408635019 WPYQDLXRPBFKBS-WQRHYEAKSA-N 441.306 5.803 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)cc2)c1C 408642208 MDICWFBUQYMXQQ-GOSISDBHSA-N 434.923 5.741 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(C)cc2C)cc1 408700162 ZDRKACDWLAQMAU-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)OCc2ccccc2)c1Cl 408737932 PZYQCAXMMMMDAV-OXQOHEQNSA-N 432.948 5.086 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)ccc1OCc1ccccc1 408799879 IXZTVHWSGBNKFU-UHFFFAOYSA-N 449.527 5.566 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1ccc(CSCc2ccccc2)cc1 408878139 WVORITOPNKOKAK-UHFFFAOYSA-N 442.049 6.437 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2nc(-c3ccco3)c(-c3ccco3)nc2c1 408980037 TWICHIMCCKNYTK-UHFFFAOYSA-N 431.451 6.555 0 40 IKAB Cc1cccc(COc2c(Cl)cc(/C=C3/SC(=O)N(C(C)C)C3=O)cc2Cl)c1 409015704 PUQGNQJOLVUXNR-VCHYOVAHSA-N 436.360 6.326 0 40 IKAB CC(C)OC(=O)CN1C(=O)S/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C1=O 409095343 HOKROSYDLRZWCK-WOJGMQOQSA-N 447.965 5.479 0 40 IKAB COc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3OC)n2C)cc1 409207756 ZIQHGLZOPWTOAD-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB CCOC(=O)[C@@H](C)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 2037845448 DNZXMFMCZHVWDV-QGZVFWFLSA-N 436.581 5.080 0 40 IKAB CCOc1cc(C=O)ccc1Oc1nc(Nc2ccccc2)nc(Nc2ccccc2)n1 693663 PGWHFDOOUAAVDI-UHFFFAOYSA-N 427.464 5.362 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccc(Cl)cc2)c1C 778418 HDYBREXGVQKBRL-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4cccc5ccccc45)c3n2)cc1 848672 RNSYHORMXVLVDA-UHFFFAOYSA-N 446.432 6.129 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)cc2c1 875381 QFIYJRVBDJZJKO-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c(C)c1 900157 YXXDKMPDYUBWLR-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1327322 WLLWJPYMGZRMJP-UHFFFAOYSA-N 437.883 5.017 0 40 IKAB Cc1cc(Cl)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1Br 1748140 HQQPREBKKHAEQW-UHFFFAOYSA-N 431.713 6.062 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2084575 MXHUBCICLIPUFG-IBGZPJMESA-N 430.936 6.117 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccc(Cl)cc3)c2NC(=O)c2cccs2)cc1C 2228876 UVVAQMTUGFHDHY-UHFFFAOYSA-N 449.963 5.792 0 40 IKAB Clc1ccc(-n2ncc3c2ncn2c(Cc4cccc5ccccc45)nnc32)cc1Cl 2343700 WHWQZRDCVCMOAO-UHFFFAOYSA-N 445.313 5.514 0 40 IKAB Clc1ccc(OCc2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2399197 XAKDOFBXHIRRCB-UHFFFAOYSA-N 430.939 5.782 0 40 IKAB CCCOc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2[C@@H]1CCOC(C)(C)C1 2450767 YBIDGXYEKMQCHB-IIBYNOLFSA-N 429.586 5.535 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(F)c(F)c3)c3ccccc3n2)cc1 2616283 IGLFGWONZODSEC-UHFFFAOYSA-N 433.410 5.228 0 40 IKAB CC1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Br)cc2)CC1 2714580 IQETZPNQDXLXLJ-UHFFFAOYSA-N 447.380 6.086 0 40 IKAB Cc1sc(NC(=O)CCCc2ccccc2)c(C(N)=O)c1-c1ccc(Cl)cc1Cl 2769089 OKJJOLJDEYMPNY-UHFFFAOYSA-N 447.387 6.091 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)N(c1ccc(F)cc1)c1nc2ccccc2s1 3230753 MTZCQGCQJXPBNL-UHFFFAOYSA-N 447.318 6.486 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc4ccccc4s3)n2Cc2ccccc2)cc1 3252386 PGSMELIHGRGBQW-UHFFFAOYSA-N 449.004 6.549 0 40 IKAB CC(C)CCOc1ccc(/C=C2/N=C(c3ccc(Oc4ccccc4)cc3)OC2=O)cc1 3336779 ZLRCTQOTFACRQD-XIEYBQDHSA-N 427.500 6.248 0 40 IKAB COc1cc(/C=C/C(=O)O[C@H](C)C(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F 3433349 ITGXIJGFBJUZEU-INDWDQIESA-N 441.430 5.033 0 40 IKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O 4910920 HVZDFWPCHNOMJN-QGZVFWFLSA-N 425.960 5.273 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)c1cccs1 6232805 MWIGFJZTMJHYKP-VWLOTQADSA-N 431.645 8.019 0 40 IKAB O=C(OC1CCCCC1)c1ccc(NC(=O)c2ccccc2I)cc1 8904019 ZZTSBDIITJGJRR-UHFFFAOYSA-N 449.288 5.033 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 9412526 ZXEBMBFNRPFCJP-NRFANRHFSA-N 432.549 5.472 0 40 IKAB COc1cccc(NC(=O)[C@H](C)Sc2nc3ccccc3c(=O)n2C2CCCCC2)c1 9509409 PSQMDOKWUIOTFJ-INIZCTEOSA-N 437.565 5.030 0 40 IKAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3cc4ccccc4o3)n2C(C)C)sc1C 9595096 OVIOOICEMHHKHQ-CQSZACIVSA-N 441.582 5.465 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 9731097 XFLHRDOYTFMACC-UHFFFAOYSA-N 449.240 6.341 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccccc1OC 9886242 QJSYZMFXXOXQBD-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB Cc1ccc([C@H]2Cc3cc(C(=O)Nc4ccc(Br)cc4)ccc3C(=O)O2)cc1 11666565 NCBHPPGUEBQHFC-OAQYLSRUSA-N 436.305 5.464 0 40 IKAB COc1ccc(-c2c(C)c3cc(OC(=O)c4ccc(C)cc4)ccc3oc2=O)cc1OC 11866201 HAQANAOYAVRMNF-UHFFFAOYSA-N 430.456 5.313 0 40 IKAB biogenic Cc1[nH]c2ccccc2c1C(c1cccc(Br)c1)c1c(C)[nH]c2ccccc12 12042020 KFLLPGLVUYBABI-UHFFFAOYSA-N 429.361 7.209 0 40 IKAB COc1ccc2c(c1)N[C@@]1(COC3(CCN(Cc4ccccc4Cl)CC3)C1)c1cccn1-2 12086186 ZDKYNBCYHBXLSO-SANMLTNESA-N 449.982 5.215 0 40 IKAB Cc1ncc(-c2ccccn2)c(CN(Cc2ccccc2)C(=O)c2cc(C3CC3)oc2C)n1 12089199 VCGNOYBFLMLFRU-UHFFFAOYSA-N 438.531 5.468 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccc(F)cc2)C(=O)c2ccco2)cc1 12478437 NERHVWFALWJVGT-VWLOTQADSA-N 448.538 5.560 0 40 IKAB CC[C@H](C)N(C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1C)[C@H](C)CC 12774197 YDOBCWRJMIMCFE-OKILXGFUSA-N 449.667 5.241 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3N2)cc1 12846958 GPZSMSYTTQJDIX-IEBWSBKVSA-N 448.876 6.066 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(-c2ccc(Cl)cc2)o1 13096032 GGWVXDNRYSKPFR-UHFFFAOYSA-N 432.789 5.452 0 40 IKAB CC(C)c1ccc(-c2nc(COC(=O)CSc3ncnc4sccc34)cs2)cc1 13098472 KPMALODXKZAQSP-UHFFFAOYSA-N 441.603 5.774 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 13463776 OBDBBSYZODLPSX-UHFFFAOYSA-N 433.261 5.151 0 40 IKAB CCOc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN12 13769085 PQZBOLAUUSVQIX-RLWLMLJZSA-N 430.504 5.345 0 40 IKAB O=C(Nc1ccccc1N1CCOCC1)c1cc(-c2ccc(F)cc2)nc2ccccc12 14074897 MEWRESQUDQLXSD-UHFFFAOYSA-N 427.479 5.130 0 40 IKAB CC[C@@H](c1nnc(SCc2cc(-c3cccs3)on2)n1Cc1ccccc1)N(C)C 14244648 YIYIRGNJHMVWRG-SFHVURJKSA-N 439.610 5.348 0 40 IKAB CCOc1ccc(-n2c3c(c(S[C@H](N)c4cccc5ccccc45)nc2=O)CCC3)cc1 15840510 OKHVVBCGJPWCON-DEOSSOPVSA-N 443.572 5.023 0 40 IKAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)c1nnc(SCc2ccc(Cl)cc2)o1 15974913 ZKAMMAMRFDENDU-GOSISDBHSA-N 445.972 5.824 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@@H](C)c4ccc(F)cc4)c(=O)c23)cc1 16266324 DYEXEKOGEDKTER-KRWDZBQOSA-N 449.551 5.182 0 40 IKAB COc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccc(Cl)c1 16576189 NNYQKWKGRSFOHD-KXEBGOAGSA-N 440.027 6.622 0 40 IKAB CC(C)c1ccc(NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)c(O)n2)cc1 16777489 BOECHVCZRDRYSF-UHFFFAOYSA-N 436.581 5.396 0 40 IKAB O=Cc1cn(CC(=O)Nc2ccc(Cl)cc2Cl)c2ccc(Br)cc12 17094700 XBWKXYRYBGEYQE-UHFFFAOYSA-N 426.097 5.162 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)cc1C 17099272 JUSQTSZVYSKCKM-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB Cc1c(C(=O)N(C)CC(=O)Nc2c(Cl)cccc2Cl)oc2c(Cl)cccc12 18039361 JMLMPGOCXPJOHC-UHFFFAOYSA-N 425.699 5.412 0 40 IKAB O=C1[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccc(Cl)cc1 18141692 FMOSHKWMZZHYAP-QEGGNFSNSA-N 441.958 5.621 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(Cl)cc4)cc3n2)cc1 19648322 QRNPHSFEXGHGTF-UHFFFAOYSA-N 448.954 5.742 0 40 IKAB O=C(N1CCN(C(c2ccccc2)c2ccccc2)CC1)N(c1ccccc1)c1ccccc1 19862696 GQNVDUOOGWDWKO-UHFFFAOYSA-N 447.582 6.352 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2c(Cl)cccc2Cl)cc1 20111733 ZOGMEAXAIOSXND-HXUWFJFHSA-N 426.409 6.139 0 40 IKAB CCc1nc(NC(=O)COc2cccc(C)c2)sc1-c1nc(-c2ccccc2C)no1 20898185 ZUJGQMJNRUQSSF-UHFFFAOYSA-N 434.521 5.057 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 21123794 VGTOGWWTBUCSJX-CSKARUKUSA-N 444.314 6.471 0 40 IKAB CCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OCc1ccc(Cl)cc1Cl 22110512 KHPOZIKWQGPZAV-UHFFFAOYSA-N 443.787 5.786 0 40 IKAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 23507629 WWHRMACTVGYNTD-GFCCVEGCSA-N 439.289 6.079 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCc1cc(=O)c2c(C)ccc(C)c2[nH]1 33067694 LYIRPPRESFOFSN-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB Cc1cccc(C)c1NC(=O)Cn1c(-c2cccc(Br)c2)nc2ccccc21 40306867 RJAXZOFEQJPKDE-UHFFFAOYSA-N 434.337 5.721 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1ccc(OCCSc2ccccc2)cc1 44883735 SPDJGVIPNJWIAI-UHFFFAOYSA-N 432.372 6.095 0 40 IKAB COc1cc(C)ccc1NC(=O)c1nn(-c2cccc(Br)c2)c2c1CCCC2 48300353 YROQUZZAJAQXQD-UHFFFAOYSA-N 440.341 5.083 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)cc1C 57473525 FYXGRKUHHHBHPV-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB CC(C)n1ncc2cc(C(=O)Nc3cc4c(cc3Sc3ccccc3)OCCO4)cnc21 58357041 ZDVNYISULLXAQI-UHFFFAOYSA-N 446.532 5.187 0 40 IKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2cc(OC)cc(OC)c2)cc1 67258621 RAKLTQMACFKUEG-UHFFFAOYSA-N 430.529 5.338 0 40 IKAB CC1=C(C(=O)O[C@@H]2C[C@H](C)CC[C@H]2C(C)C)[C@@H](c2cccc(Cl)c2)n2ncnc2N1 72333080 KJUBZHQUJNPING-HCKZWYBISA-N 428.964 5.224 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](c3cc(Cc4cccc(C)c4)cc(C)n3)C2)cc1 72356190 QIIZYBBAERQSEP-VWLOTQADSA-N 441.575 5.267 0 40 IKAB Nc1cccc(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1 72361041 HUUSGVMIXFRVQE-GOSISDBHSA-N 425.454 5.369 0 40 IKAB C[C@@H]1CSc2ccccc2N1C(=O)c1oc2ccccc2c1CSc1ncccn1 79025178 GQNQICHOSQGVFV-OAHLLOKOSA-N 433.558 5.656 0 40 IKAB Cc1cc(N2CCC[C@@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccccn2)n1 84114708 GOZLSYDJVDEWQT-OAQYLSRUSA-N 425.536 5.967 0 40 IKAB CCN(CC(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1)c1ccccc1 96398816 WYPUQCMXCOJEKG-MMTAMCDMSA-N 449.598 6.336 0 40 IKAB CCCCC[C@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC 101343533 INXGAHHQCIHNOR-ZSEJKAPFSA-N 443.631 6.897 0 40 IKAB 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](OC(C)=O)[C@@]21C 123321155 KNHGHMDIHVHLKX-DXTSGOFCSA-N 446.628 5.345 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 169707609 WCEDYHUUIUESKE-XIFCMFAJSA-N 436.599 7.359 0 40 IKAB CCOc1ccc(-c2cnc(NCc3ccc(Br)cc3)n2C[C@@H](C)CC)cc1 199421931 PBSJHNDCKPTNGG-KRWDZBQOSA-N 442.401 6.370 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccc(C)cc4)C3=O)o2)cc1 214478573 MJFQBTMVYKAJHJ-FYJGNVAPSA-N 433.485 5.278 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Br)cc1 214911813 DILGNNVVHNHXCK-OQLLNIDSSA-N 442.256 5.704 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2ccc(Cl)cc2Br)cc1 216410307 FXGIUJGFSLJBAD-SFHVURJKSA-N 440.765 5.394 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222934886 AULNSWPJKUXRNF-RPBOFIJWSA-N 426.589 5.654 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079368 XNYRXDKEYFRCTK-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 223677456 CQKNGDSXLNVQOO-HSZRJFAPSA-N 440.653 5.242 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 223806521 KKNMIOUVMZDQOU-QHCPKHFHSA-N 445.003 5.223 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 223807877 SUULLWKERHGGLB-DEOSSOPVSA-N 443.031 5.559 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3ncc(Br)cc3Cl)CCCC2)cc1 223980438 IWPPKQQNBRICGL-UHFFFAOYSA-N 442.785 5.435 0 40 IKAB COc1cc(NC(=O)c2ccc(OC)c(COc3ccc(C)cc3)c2)c(OC)cc1Cl 224129653 OCHYCTGBUGWJER-UHFFFAOYSA-N 441.911 5.506 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224611342 KVORUJFALZDSPE-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c1 224704259 JEMJYNYIAAGIJX-RJDQKLELSA-N 446.616 6.002 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]3C[C@H]3OC(C)(C)O[C@@]32C(C)=O)C1 253501039 UHBMRCJLSUUKRV-BAMSFZQFSA-N 432.601 5.050 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4ccc(F)cc4)cc(C)n3)C2)c(OC)c1 257202717 AMZXTMVBBAYELB-LJQANCHMSA-N 434.511 5.233 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@H]3c3ccc(Cc4ccc(Cl)cc4)cn3)cc12 257226839 FMKDTODHRHWZOX-VWLOTQADSA-N 429.951 6.093 0 40 IKAB O=C(c1cccc(Cn2cccn2)c1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 257308827 TYGUSYKRAVVJSI-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB CC(C)=CCC[C@]1(C)Oc2ccccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@@H]21 257336001 YMSQZDKVVMTSBL-BHXSWCHUSA-N 441.612 6.287 0 40 IKAB CCCOc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(Cl)c2)C1=O 408600839 GMRDXYSWSGJKLM-YBFXNURJSA-N 444.940 5.112 0 40 IKAB O=C1N/C(=C/c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 409071898 QLGIRCDVFMNRTF-UDWIEESQSA-N 439.298 5.670 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccncc2)cc1C 409111869 CSZJSNWNHSEMGM-UHFFFAOYSA-N 441.387 6.545 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OCc1ccccn1 409265684 NUCQPQFJUSFPIA-UHFFFAOYSA-N 427.323 5.708 0 40 IKAB Cc1ccccc1CCc1nc(N2CCC[C@@H]2Cc2ccc(Cl)cc2)ncc1C(=O)O 585266744 GNURIMTUDQFYQL-OAQYLSRUSA-N 435.955 5.133 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)Nc3ccccc3)cc2c1 1327412 CUBCZPKSFOUOJF-UHFFFAOYSA-N 447.922 5.424 0 40 IKAB CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4cccc(Cl)c4)n3)ccc21 1365774 OEGRZLIGERMKCD-UHFFFAOYSA-N 425.941 5.261 0 40 IKAB CC(C)c1cccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1759577 RAZVHEJCFQCPMT-UHFFFAOYSA-N 432.951 6.309 0 40 IKAB CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1 1778572 KSTMRQHRUNZJDQ-FQEVSTJZSA-N 448.613 5.837 0 40 IKAB COc1ccc(-c2cc(=O)oc3cc(OCc4cccc(C(F)(F)F)c4)ccc23)cc1 1902806 XAYRNDWSIHDHGE-UHFFFAOYSA-N 426.390 6.066 0 40 IKAB biogenic O=C1c2ccccc2N[C@H](c2cccc(Br)c2)N1c1ccc2ccccc2c1 2070722 UPRLCXDZMCTUBJ-QHCPKHFHSA-N 429.317 6.373 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(COc2ccc3c(c2)CCC3)c1 2105193 LYWOHSJWPBBPAS-UHFFFAOYSA-N 435.523 6.799 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2cccs2)o1)c1ccccc1 2621527 ZHPXFSJEEHNCJV-LJQANCHMSA-N 437.546 5.587 0 40 IKAB aggregator CCCOC(=O)c1c(NC(=O)c2ccc(Br)cc2)sc2c1CC[C@H](C)C2 2737691 SMEUZFFGPFBJIE-LBPRGKRZSA-N 436.371 5.455 0 40 IKAB CCc1c(C)sc(NC(=O)CCCOc2ccc(Cl)cc2C)c1C(=O)OC(C)C 2738979 SLBQYRNUGDARMP-UHFFFAOYSA-N 437.989 5.944 0 40 IKAB CCc1ccc([C@H](C)NCC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc1 2795092 FITKBPLAYVCAJC-ZDUSSCGKSA-N 434.392 5.969 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1cccc(C(F)(F)F)c1 3253192 YTWQZPZCVRURDV-UHFFFAOYSA-N 428.436 5.170 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(CSc2ccc(Cl)cc2)cc1 3299631 YWWZMTACAWVMSY-UHFFFAOYSA-N 438.980 5.721 0 40 IKAB CC1(C)C[C@@](C)(c2cccc(Br)c2)c2ccccc2N1C(=O)c1ccccc1 3670860 JNDUWMXCOGMRLX-VWLOTQADSA-N 434.377 6.584 0 40 IKAB CC[C@@]1(C)C[C@](CCNCc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 4027799 OCZJOJKHSMJOSE-IZZNHLLZSA-N 427.585 5.109 0 40 IKAB biogenic Cc1cccc(C(=O)Nc2ccc(NC(=S)NC(=O)c3ccc(C(C)C)cc3)cc2)c1 4090484 GYXYUAIQYYMXDS-UHFFFAOYSA-N 431.561 5.498 0 40 IKAB CC1=C(C(=O)O[C@@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4141553 SLBKHXVFFDZUIS-WPSZSDGUSA-N 434.536 5.015 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(F)cc2)N2CCC(C)CC2)c1C 4247795 CKMZPJPIUFLWTL-QFIPXVFZSA-N 426.557 6.171 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2)n1-c1cccc(C(F)(F)F)c1 8398972 AYOVIYVKKAIURU-JLHYYAGUSA-N 426.825 6.228 0 40 IKAB Cc1c(Cl)cccc1-n1nc(-c2nc(-c3cccc(Cl)c3)no2)c2ccccc2c1=O 8857161 LJJFPQLADOKZON-UHFFFAOYSA-N 449.297 5.718 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2CC(C)C)c1 8880641 VSPQMJWHCINYSE-INIZCTEOSA-N 440.544 5.062 0 40 IKAB COc1cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@H]3[C@@H]2c2ccccc2)cc(OC)c1OC 9594122 LRWSGTAEMDTYPP-JTJYXVOQSA-N 443.971 5.467 0 40 IKAB Cc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1NC(=O)N[C@H](C)c1cccs1 10035406 MROFKNGAAKLGKK-HUUCEWRRSA-N 428.583 5.883 0 40 IKAB COc1cc(Cl)c(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1OC 11070217 XBETWTRDNSRXCC-UHFFFAOYSA-N 440.887 5.195 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@@H](C)c1ccccc1 11344107 ICMLZKZVPZZXCA-SFTDATJTSA-N 429.564 5.151 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3Cc3coc4ccccc4c3=O)no2)cc1 12185637 UPVGRCPIWRPIDW-QHCPKHFHSA-N 430.504 5.574 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(C)o3)C[C@H]21 12196280 YAKMPOFBWBYOOA-HYBUGGRVSA-N 432.476 5.016 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccccc2F)o1 12484059 PBVGQNCWPGIRAX-UHFFFAOYSA-N 435.282 5.493 0 40 IKAB Cc1cc(S[C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cc2Cl)nc2ccccc12 12658669 RKEUVDOZOQTFFI-NSHDSACASA-N 425.768 6.623 0 40 IKAB C[C@@H]1CCN(C(=O)CSc2nc(C3CC3)n(-c3ccccc3)n2)c2ccccc2S1 12682231 HKWKQWQUKBAVOP-MRXNPFEDSA-N 436.606 5.154 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12917807 GTAHPJXTWANYGW-AWEZNQCLSA-N 445.382 5.232 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccccc2)ccc1C 12974756 YSOQDVDZURMEIX-FQEVSTJZSA-N 436.577 5.043 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(C3CC3)n2C2CC2)cs1 13114841 QSOJIRFIDXTVBR-UHFFFAOYSA-N 439.610 5.486 0 40 IKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@@H]3[C@H](C(=O)O)C[C@@H]4C[C@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 13409189 XFIVUTDYPVXBJS-MRGFSTEXSA-N 448.600 5.158 0 40 IKAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 13631214 VPOCWVULNYJIQP-UHFFFAOYSA-N 444.575 5.963 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccccc4Cl)cc3)nc2c1 13954884 WOBOKOFYAJJWDI-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)N1[C@@H](C)CCC[C@H]1C 14092780 GSUHLVCXCHVJJA-KDURUIRLSA-N 446.547 5.269 0 40 IKAB Cc1ccc(NC(=O)C(C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)cc1Cl 16312908 XWGALAVLAYBYBT-UHFFFAOYSA-N 427.331 5.971 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccc(Cl)nc1 16605983 ANURULZDUHTRNF-FMLGTGLNSA-N 441.015 6.161 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4C[C@@H](C)CC[C@H]4C3=O)c2)cc1 18244595 LDFZKOYCRHBCOW-IMRHEYAYSA-N 433.548 5.519 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20048361 DSUANGAIBRFOJJ-FQEVSTJZSA-N 428.941 5.372 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 20110869 PJOVIIYFVRMOCH-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20274546 QHEUKDHYKYXSPG-UHFFFAOYSA-N 447.516 5.298 0 40 IKAB O=C1C[C@H](c2ccc(F)cc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 20671477 NGCLLFBWYDHLEG-OAHLLOKOSA-N 438.915 5.122 0 40 IKAB O[C@H](CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1)c1ccccc1 20876509 UTCIBSBILDZYNI-OAQYLSRUSA-N 446.772 5.505 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)N3CCC(c4nc5ccccc5s4)CC3)sc2c1 20897311 FNKJRNQNAJTVAI-UHFFFAOYSA-N 426.994 6.493 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)COc4c(C)cc(C)cc4Cl)ccc3o2)c1 21579516 YKLSTZKZIYCUAY-UHFFFAOYSA-N 436.895 5.791 0 40 IKAB CCc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2)cc1 22079391 YTXZRJMESQSJEE-UHFFFAOYSA-N 444.560 5.140 0 40 IKAB Cc1onc(-c2c(F)cccc2Cl)c1C(=O)NC[C@@H](c1cccs1)N1CCCC1 27608318 GJQQXCKMBPIGCS-INIZCTEOSA-N 433.936 5.071 0 40 IKAB Cc1ccc(/C=C2/CCc3c2nc2ccccc2c3C(=O)OCC(=O)NC(C)(C)C)cc1 33413477 ODRPFMPSCGWPON-CYVLTUHYSA-N 428.532 5.102 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCC(=O)c2ccc(Cl)cc2)cc1 33561554 QYDRZFWTIFZGHJ-OVCLIPMQSA-N 430.891 5.724 0 40 IKAB COc1cc(C(=O)Nc2cccc3ccccc23)cc(Cl)c1OCc1ccc(C)cc1 35087896 SNVKGEQXCYZLQQ-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB Cc1ccc(C2=NN3[C@H](c4ccc(Cl)cc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)o1 36352202 ZRCOSKIKYZGMFU-NQIIRXRSSA-N 433.722 6.791 0 40 IKAB CCc1cc(Br)c2c(c1)N[C@]1(C=C(C)Oc3c1c(C)nn3-c1ccccc1)O2 40546026 YKGMEMSOFVXGGN-JOCHJYFZSA-N 438.325 5.459 0 40 IKAB Cc1nc(NC(=O)C[C@@H]2CCCCO2)sc1-c1csc(Nc2ccccc2F)n1 40556462 RBNXMTOJIHRGBJ-ZDUSSCGKSA-N 432.546 5.355 0 40 IKAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1cccc2ccccc12 44563788 GBWLKBQIJHFDMB-SFHVURJKSA-N 437.495 6.068 0 40 IKAB C[C@@H](NCc1ccc(-c2ccc(C(F)(F)F)cc2)o1)c1ccc(NS(C)(=O)=O)cc1 48285649 ULOALJPVVTZJMA-CQSZACIVSA-N 438.471 5.188 0 40 IKAB Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3ccccc3Cl)c(=O)c12 67260396 HUIUWWDSKJHZDH-UHFFFAOYSA-N 440.937 5.247 0 40 IKAB CCC(CC)(NC(=O)Nc1ccc(C(N)=O)c(Cl)c1)c1ccc(Cl)c(Cl)c1 72271035 LSZCWEQJOCHOBY-UHFFFAOYSA-N 428.747 5.583 0 40 IKAB CCO[C@@H]1C[C@H](O)C12CCN([C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 72294853 MCJLBIKREMNEHK-AFAVFJNCSA-N 425.413 5.037 0 40 IKAB COc1ccccc1-c1cccc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72349664 BYDLUTWYNSWLJC-LJQANCHMSA-N 425.532 5.187 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1nccs1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 72394574 RREDMWPIZXKORN-GOSISDBHSA-N 440.440 5.566 0 40 IKAB COCCOc1c(Cl)cccc1NC(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccccc1 79052649 QDUUOQUVWXIZGW-DENIHFKCSA-N 446.975 5.265 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 100739658 JQJMUQPBYFANTJ-VABKMULXSA-N 429.318 6.448 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3ccc(Cl)cc3)C2=O)c(C)c1 102717385 LIEWMCGEEMYSGL-RJGXRXQPSA-N 432.907 5.008 0 40 IKAB COc1cc([C@@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc(OC)c1O 102720018 ZWMDKRHPXHNYDG-FPTDNZKUSA-N 448.475 5.019 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4ccc(C)cc4)C3=C(O)C2)cc1OC 104158637 RARIFBVFOAQOEU-WTYVLRPYSA-N 440.543 6.641 0 40 IKAB Cc1ccc(C)c(N(Cc2ccc(C(=O)NC3CCCCCCC3)cc2)S(C)(=O)=O)c1 222384118 SMVRBEMNOYTGJT-UHFFFAOYSA-N 442.625 5.112 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 223069878 XTNFFOWXXLWISX-SFTDATJTSA-N 427.957 5.004 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079450 SFQJDDOLWZOQSA-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223404876 VHJRRJZMCAVVNW-QHCPKHFHSA-N 441.358 5.400 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 224215597 RGGAETVRQIYCNJ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CN(c1cccc(C(=O)Nc2ccc(Cl)cc2)c1)S(=O)(=O)c1ccc(Cl)cc1 224267973 UIQLMPXRDWQQFD-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1C 224274796 UZCPAFFLJGCEMQ-RPBOFIJWSA-N 430.621 6.182 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1C 224374660 ISONKBMCKGIUGJ-SFHVURJKSA-N 449.422 5.342 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224392535 WTMWAVMUHDYNKW-OAHLLOKOSA-N 446.399 6.785 0 40 IKAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)c(C)c1 224943769 AZNOOBWEUBCGIJ-VQTJNVASSA-N 441.398 5.151 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225315625 OTSZYOLOULVMLO-UHFFFAOYSA-N 430.548 5.816 0 40 IKAB O=C(c1ccc(NC(=S)NC(c2ccccc2)c2ccccc2)cc1)N1CCCCC1 225520213 MUVMLBKIKISZJO-UHFFFAOYSA-N 429.589 5.389 0 40 IKAB C[C@H]1CCCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)C1 225547991 GNQJWYRZNWFYPE-NRFANRHFSA-N 438.587 5.777 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NCC(C)C)cc1 225658604 DBWHYKITIOIFRJ-LJQANCHMSA-N 447.044 5.071 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)s2)cc1 225749786 JGWKLJLGJVRZMR-UHFFFAOYSA-N 440.572 5.324 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2ccnc3ccccc23)CC1 257235563 GYJDEIVMLBZYGD-QFIPXVFZSA-N 438.575 5.273 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ccncc23)CC1)C1(c2ccccc2)CCOCC1 257238746 HMJDSUJETNCWQX-QFIPXVFZSA-N 428.576 5.154 0 40 IKAB COc1ccccc1-c1cccc(C(=O)N(CC(=O)O)Cc2cccc(C(F)(F)F)c2)c1 257269413 MPWAKUXURSRLGO-UHFFFAOYSA-N 443.421 5.108 0 40 IKAB COc1cc(C(=S)NCCc2ccccc2)cc(Cl)c1OCc1ccccc1Cl 408572415 GVLQMDOEDVJSCN-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1)Nc1ccc(Cl)c(Cl)c1 408584732 UHXPENUTZPKTDX-UHFFFAOYSA-N 438.380 5.575 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2cccc(C)c2C)c1 408697432 HKTSXWAMBPJSET-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc(C)c1Cl 408705808 NUFDGKGOIWXJAG-KRWDZBQOSA-N 428.960 5.425 0 40 IKAB O=C(Nc1ccccc1Cl)[C@@H]1[C@@H](c2ccccc2)C=C[C@@H](c2ccccc2)[C@H]1C(=O)O 408721025 CNBFKYSDWXFDJZ-WNXIRNOKSA-N 431.919 5.733 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C/c2ccc(OC(=O)c3ccccc3C)cc2)C(=O)O1 409005214 SGDYVBCYKOOZKA-FYJGNVAPSA-N 447.874 5.221 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)oc(-c2ccccc2)c1-c1ccccc1 409109392 CUKSXIFWQUQMIZ-UHFFFAOYSA-N 445.902 6.696 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(C)C)c2ccc(F)cc2)cc1 409127070 BXPZSMKKPKVPMG-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB Cc1ccccc1OCCn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 409195685 RPEXVXFHUPDBKU-UHFFFAOYSA-N 426.585 5.763 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)c(C)c4)c(N)c3cc2C1 661756 JBPZEZZFJSPMSI-GFCCVEGCSA-N 444.398 5.717 0 40 IKAB O=C(NCc1ccccc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 674980 VVYCOCZXWXVGDJ-FUHWJXTLSA-N 434.849 5.127 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc2c(C)cc3cc(OC)ccc3n12 928486 HLRSYKUFNDVASE-UHFFFAOYSA-N 434.565 5.055 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 1448862 FGCTXABKSPVAJP-NRFANRHFSA-N 428.985 6.439 0 40 IKAB CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1cc2c(cc1Cl)OCO2 1902824 TXAWSELZQXYOLW-UHFFFAOYSA-N 434.875 5.984 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccccc3C)c2c1 2074115 HMRGPXXUZNONEK-UHFFFAOYSA-N 431.536 6.038 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C(C)(C)C)cc2)cc1 2335254 ACYKNJUWLLLDDV-UHFFFAOYSA-N 428.532 5.449 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(Cc3cccs3)n2-c2ccc(C)cc2)cc1 2358560 YCPKRXJOVHIEKS-UHFFFAOYSA-N 448.617 5.521 0 40 IKAB CCCCCCc1cc2cc(-c3nc(-c4ccccc4)cs3)c(=O)oc2cc1OC(C)=O 2371982 KZPVCPTVMAIORF-UHFFFAOYSA-N 447.556 6.632 0 40 IKAB O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1ccc(Br)cc1 2412145 XUBDISAOUQMXHB-LQOCYXTFSA-N 444.328 5.380 0 40 IKAB Cc1cc(-c2csc(N[C@H](C)c3ccccc3)n2)c(C)n1CCc1ccc(Cl)cc1 2647097 FXJFVJUYIGPLNI-GOSISDBHSA-N 436.024 7.298 0 40 IKAB CN(C(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)c1ccccc1 2655378 MMKLPPJEFMSMQQ-UHFFFAOYSA-N 445.906 5.013 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)cc2)cc1 2712958 CSNLSEYSIMBWFA-UHFFFAOYSA-N 431.513 5.006 0 40 IKAB O=C(COC(=O)CCC(=O)c1ccc(Cl)cc1)Nc1ccccc1Oc1ccccc1 3235648 PPVPEJCDHJPALZ-UHFFFAOYSA-N 437.879 5.277 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc(NC2CC2)c1-c1nc2ccccc2s1 3246615 RNYUGKXYJSFCOV-UHFFFAOYSA-N 425.966 6.066 0 40 IKAB Cc1ccc(-n2c(SCCCC(=O)c3ccc(F)cc3)nnc2-c2ccccc2)cc1C 3252803 DXQKXHFCVCFIEL-UHFFFAOYSA-N 445.563 6.445 0 40 IKAB O=C(OCC(=O)N1CCC(Cc2ccccc2)CC1)c1c(Cl)ccc(Cl)c1Cl 3315722 SKDABWLLHZPJRK-UHFFFAOYSA-N 440.754 5.285 0 40 IKAB CC[C@H](C)c1ccc(-c2cc(C(=O)Nc3ccccc3OC(F)F)c3ccccc3n2)cc1 3342360 LXTSILAWWZVMLP-KRWDZBQOSA-N 446.497 7.269 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)CSc1cccc2cccc(Cl)c12 3349581 CMSWXNUASJKGJF-UHFFFAOYSA-N 427.953 5.891 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)c4ccccc4)ncnc32)cc1 3658746 ANPRVMMYVXBUNM-LJQANCHMSA-N 437.568 6.949 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cccc(Cl)c1 4109828 QWZKCEKZXLXQOS-UHFFFAOYSA-N 427.879 5.086 0 40 IKAB CCCCCCc1ccc(OC(=O)c2ccc(C3CCC(CCCCC)CC3)cc2)cc1 4697363 MIVQXVRFCKBQBG-UHFFFAOYSA-N 434.664 8.883 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1F 4786555 MRSDYMYHPHCCHU-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2)CN1c1ccc(F)cc1 8756121 ZTRBJNVDZUYZPJ-HXUWFJFHSA-N 443.522 5.555 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c1 8810209 QPORORMTVVBUTH-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)c(-c2nc3cc(Cl)ccc3o2)c1 8831881 CKJLSCOOCDYFBV-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB COC(=O)c1c(C(C)(C)C)oc2cc(C)c(NS(=O)(=O)c3c(C)cc(C)cc3C)cc12 8870356 JCRMJLGWGSRKIZ-UHFFFAOYSA-N 443.565 5.551 0 40 IKAB O=S(=O)(Nc1ccc2oc(-c3ccccc3)cc2c1)c1ccc(Br)cc1 8871952 QOVQHFFDJYHPCE-UHFFFAOYSA-N 428.307 5.663 0 40 IKAB C[C@H]1Sc2ccc(C(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2NC1=O 8879094 FFIIBVIUCILWQV-MRVPVSSYSA-N 434.361 5.409 0 40 IKAB C[C@@H](OC(=O)c1ccc2ncsc2c1)C(=O)Nc1c(Cl)cc(Cl)cc1Cl 8938530 BWIHTGCPHWOMQD-MRVPVSSYSA-N 429.712 5.441 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1ccc(C)cc1 9250053 RMKYRXLEIWBORX-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccccc2Cl)c1 9250118 SQAPMUIYUQAJLP-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(F)cc2)cc1OC 9328045 AIMQOILLJSGDJN-UHFFFAOYSA-N 435.476 5.337 0 40 IKAB COc1ccc(-c2nnc(SCCOc3cc(Cl)ccc3Cl)o2)c(OC)c1 9725668 DIIQWPXBNICQQK-UHFFFAOYSA-N 427.309 5.232 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccc(C)c(Br)c4)cc3)sc2c1 12040156 JWKKGFQUFBPWIL-UHFFFAOYSA-N 437.362 6.595 0 40 IKAB CCCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3cccc4ccccc34)=NN21 12437247 BTTFXCVYZPNVNL-LITSAYRRSA-N 434.539 6.871 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccccc2)c(Cl)c1 12641951 UKAVHXMQGQIPRG-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CC(C)c1ccc(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccccc2F)cc1 13025792 TUESLIFBBYTIFZ-RUZDIDTESA-N 448.538 5.989 0 40 IKAB COc1cccc(-c2nnc(SCc3cc(C(C)=O)ccc3OC)n2Cc2ccco2)c1 13117997 BLEIPKMHSCXFTR-UHFFFAOYSA-N 449.532 5.099 0 40 IKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2Cc2ccc(F)cc2)c2ccccc21 13942401 PAGSPVYSBQZNIL-GDLZYMKVSA-N 446.525 6.730 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)ccc4o3)ccc2C)c(Cl)c1 14270683 GIIFFMULLGKFFT-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB CCCCC1CCC(C(=O)N(Cc2ccc(C(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)CC1 16741750 IFNRTZNOGRXBSY-VZYOYLOZSA-N 433.658 5.322 0 40 IKAB CC(=O)N1CCc2c(sc(NC(=O)Cc3ccccc3)c2-c2nc3ccccc3s2)C1 16890366 ZTNDLJFFCQLILL-UHFFFAOYSA-N 447.585 5.111 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)OCc2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17098333 JLYUGQUIJSEQAJ-HNNXBMFYSA-N 433.331 6.889 0 40 IKAB Cc1ccc(-c2csc3ncnc(N[C@@H](c4ccc(F)cc4)c4nccn4C)c23)cc1 17590374 FVAOIOCDJIRXLK-NRFANRHFSA-N 429.524 5.741 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373239 ABSNCVAYEUNWQF-QHCPKHFHSA-N 439.494 5.399 0 40 IKAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 19632554 LFXJNFCJVQGAAZ-XQQFMLRXSA-N 440.744 5.251 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(O[C@H](C)CC)c4)cc3)nc2c1 19636538 XJQRYNGDQUQILL-RBUKOAKNSA-N 442.559 7.438 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3cccc(OC)c3OC)c2)cc1 19691385 HQBDRCOHOVYBQE-HSZRJFAPSA-N 432.520 5.060 0 40 IKAB Cc1cc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)ccc1Br 20238876 JPVWDMGYYXOSIQ-UHFFFAOYSA-N 446.797 6.956 0 40 IKAB COc1ccc(C(=O)Nc2ccc3nc(SCCOc4ccccc4)sc3c2)cc1 20895079 KILUXYQVTIVFHK-UHFFFAOYSA-N 436.558 5.728 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)Nc1cccc(OCc2cc(=O)n3cccc(C)c3n2)c1 21099928 BAXOMUUCXQBABS-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(Cc3cccc(F)c3)c2n1 21654975 SSUKWNLYOPGQPR-UHFFFAOYSA-N 446.869 5.263 0 40 IKAB Cc1cccc(-c2nnc(S)n2CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2Cl)c1 31336292 CWBLVCJAXDHIQB-ZDUSSCGKSA-N 435.380 5.069 0 40 IKAB CCCCSC1=N[C@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N1 33380011 PNRLCGMVMIAVII-JOCHJYFZSA-N 439.581 5.150 0 40 IKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)c(C)c1-c1nn2c(-c3ccccc3)nnc2s1 33547071 QZRINSJIQBNBIW-UHFFFAOYSA-N 441.343 6.703 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)O 34719570 RADZJAXNXHPDON-QZNJRLLKSA-N 438.310 5.540 0 40 IKAB O=C(N/C(=C\c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 34930431 DZUAOPWPGOOQPU-XSFVSMFZSA-N 432.328 5.196 0 40 IKAB COc1ccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1Cl 35271045 BFTKAGFEYCNPAW-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB O=C1N=C(Nc2cccc3ccccc23)S/C1=C\c1ccc(-c2ccccc2Cl)o1 35646023 YSKMGFFFMQKAPI-HMAPJEAMSA-N 430.916 6.836 0 40 IKAB Cn1ncc2c(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)cc(-c3ccccc3)nc21 36617024 QCYHMQKOLOHPCB-UHFFFAOYSA-N 430.817 5.560 0 40 IKAB CCOC(=O)C[C@H](c1ccccc1)C1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 40139128 LUVCOTKBWWQARX-XMMPIXPASA-N 432.564 5.076 0 40 IKAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CC[C@H](C)Sc4ccc(Cl)cc43)c12 40150722 SWOYSRWPPNIAKQ-ZDUSSCGKSA-N 428.989 5.585 0 40 IKAB CN(c1ccc2sc(C(=O)N3CCCCC3)cc2c1)S(=O)(=O)c1ccc(Cl)cc1 46058881 XSBIJOIFLRDYCF-UHFFFAOYSA-N 448.997 5.006 0 40 IKAB Cc1c(C)c2c(c(C)c1O)[C@H](C)[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2 65740375 PMIMOLIQGNWOJE-MEBOPQTQSA-N 430.717 9.011 0 40 IKAB in-vitro Cc1c(-c2nc(-c3cccs3)no2)sc2ncn(Cc3cccc(Cl)c3)c(=O)c12 67260398 YSFAVSSGWKEMRB-UHFFFAOYSA-N 440.937 5.247 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(C(F)(F)F)cc1 67294558 ZPKPPQLJESOBLA-IADYIPOJSA-N 442.824 6.590 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72358801 IQAOFABYUOYOIS-FQEVSTJZSA-N 435.955 5.144 0 40 IKAB O=S(=O)(NCc1ccc(OCc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 73633136 OQUOOCZCVUITFU-UHFFFAOYSA-N 445.540 5.536 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2C[C@@H]2c2cccnc2)c1 78718326 LAJXWCQLQBVGQQ-WOJBJXKFSA-N 425.410 5.095 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(F)cc3c2Nc2ccc(C)c(C)c2)cc1 100895196 ASSHQIKRUKGRAH-UHFFFAOYSA-N 436.508 5.576 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cc(F)cc(F)c1 101003527 QMVJOBQJLOCTQV-SAZLYLDSSA-N 439.461 5.388 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987171 JZHYJIYCLMFOKD-ZRXZBVFWSA-N 426.604 6.754 0 40 IKAB CC(C)c1ccc(/C=C2/CSCC3=C2NC(=S)N[C@H]3c2ccc(C(C)C)cc2)cc1 104310376 VWMQARYYHFGNNJ-MFUBYVTQSA-N 434.674 6.537 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Cl)cc4Cl)C3=O)c[nH]c12 106700534 WIOIIPXUVZEIMR-LSCVHKIXSA-N 431.344 6.274 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc(NC(=O)[C@]2(C)C[C@H]3C=C[C@H]2C3)cc1 112249671 XNEBKRKTJOUEAL-BKCZMFJTSA-N 440.547 5.282 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc1OCC 216250370 ZBTVJBKHFOMCTJ-UHFFFAOYSA-N 438.568 5.118 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1c(F)cccc1Cl 219677014 TVJVDFADIGXSNN-GFCCVEGCSA-N 446.769 5.059 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCCSc1ccc(Cl)cc1 222531816 XTEYNHXLJRTOAM-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](C)c3ccc4c(c3)CCCC4)cc2)cc1 222932545 YJFCMSAIJCKUKJ-LJQANCHMSA-N 448.588 5.166 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2C)cc1 222985171 RVWXNETXWDTBHS-FDJRJZQMSA-N 446.547 5.271 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](CC(C)C)c2ccccc2)c1 223085422 UYQGOXVUFBJNNZ-QHKNXTSZSA-N 432.589 5.731 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CSc1ccc(Cl)cc1 223867644 ZARPZJUBVGQQNF-INIZCTEOSA-N 448.991 5.047 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1CSc1ccc(Cl)cc1 224390614 SHNGTSWZYYPKEZ-UHFFFAOYSA-N 441.936 5.300 0 40 IKAB CN(Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1)S(=O)(=O)c1ccccc1 224412198 WEYIQPKHVLYWCT-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)cc1 224611253 KVORUJFALZDSPE-DNQXCXABSA-N 426.545 5.063 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(Oc3ccccc3)cc2)c(Cl)c1Cl 224617053 RIMVSJSZNUQPSW-UHFFFAOYSA-N 438.332 5.619 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2)c1 225699761 LTEHYAKROBLRHC-HXUWFJFHSA-N 445.813 6.487 0 40 IKAB Cc1ncsc1-c1cc(C(=O)N2CCC[C@H]2c2ncc(Cc3ccc(F)cc3)o2)ccn1 257201552 AICHONQPJKBFRH-NRFANRHFSA-N 448.523 5.209 0 40 IKAB Cc1nc(-c2cccnc2)sc1C(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3)o2)C1 257271377 MYAJOQFBULUEHC-HXUWFJFHSA-N 444.560 5.112 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(I)cc1 390039477 JGTVXSKWNMYRAS-UHFFFAOYSA-N 431.298 5.695 0 40 IKAB COc1ccc(-c2csc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)n2)cc1OC 408574579 SEIADGNWEXFHLI-JLHYYAGUSA-N 432.501 5.739 0 40 IKAB C[C@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Br)o2)C1=O 408805273 FQVRACSWTVJASK-WUBQLMRTSA-N 446.390 6.096 0 40 IKAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2)N([C@H]2CCCC[C@H]2C)C1=O 408805552 GPEJQIJMGMNRFS-MAKSOAMOSA-N 442.004 6.403 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc(Cl)c1O[C@H](C)CC 409072028 UGRGIZIWTNJAGQ-HVOBPNNYSA-N 449.334 5.667 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 409095099 GSDKDMJMUIUTOU-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB CCOc1cc(C[C@H]2SC(=O)N(CC(C)C)C2=O)ccc1OCc1ccccc1F 409145625 ORNYRVXWXDIGDU-OAQYLSRUSA-N 431.529 5.066 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409177257 FYELLRQKJLVYMT-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 409380535 GFKAPQNFGCKJBW-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCn1nccc1C(=O)N1Cc2ccccc2NCc2ccccc2OC[C@@H]1CC(C)C 643581948 JCMALYXIQHFLPQ-QHCPKHFHSA-N 446.595 5.355 0 40 IKAB Cc1cc(OC[C@]2(CC(=O)N3CCCCC3)CCCN(C(=O)CC(C)C)C2)ccc1Cl 2037905450 IOMVFYOPZDJSGY-VWLOTQADSA-N 449.035 5.085 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 648727 NAIIJMSYDHFDNY-SFHVURJKSA-N 448.592 5.637 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc(SCc4ccccc4)o3)cc2)cc1 897040 MXSNWMUEHRJJCX-UHFFFAOYSA-N 437.546 5.138 0 40 IKAB COc1ccc(NC(=O)CSc2ncnc3scc(-c4ccccc4)c23)c(OC)c1 904217 QGYXHRJYKKRZQG-UHFFFAOYSA-N 437.546 5.106 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3cc(C)c(C)cc3C)c3ccccc32)c1 1320438 XUTUOYNCZCGMBR-MUUNZHRXSA-N 427.544 5.236 0 40 IKAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 1378258 QUQWTFUWEVFRJC-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB CCc1cc(I)ccc1NC(=O)C(c1ccccc1)c1ccccc1 1861677 OCUCGIVYFKKPBF-UHFFFAOYSA-N 441.312 5.624 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)c1cccc3ccccc13)C(C)(C)c1ssc(=S)c1-2 2060921 FSVFRYXCIXJPGH-UHFFFAOYSA-N 447.650 7.872 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2083652 GPJYWSSRECOWGE-UHFFFAOYSA-N 436.920 6.046 0 40 IKAB CCc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 2128570 AGXQWGKFQFARSB-UHFFFAOYSA-N 440.399 7.096 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(CC)cc2)cc1 2128653 CCFGEHOSRQBEHT-UHFFFAOYSA-N 442.588 5.790 0 40 IKAB COc1ccc2c(c1)c(C(=O)COc1ccc3c4c(c(=O)oc3c1C)CCCC4)c(C)n2C 2148433 GSAUQRAKQVSJLV-UHFFFAOYSA-N 445.515 5.051 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc3ccccc3c2)cc1 2193907 RPPUCBXFUWVECG-UHFFFAOYSA-N 436.511 5.694 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)c3ccccc3C)cc12 2319552 HVHHVFBQULMNCG-UHFFFAOYSA-N 430.456 5.813 0 40 IKAB biogenic O=C1CS[C@@H](c2ccc(Br)cc2)c2c(O)nn(C3CCCCCC3)c2N1 2422080 FKFNDYDISZVPEF-KRWDZBQOSA-N 436.375 5.021 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SC[C@H]3CCCCO3)n2-c2ccc(Cl)cc2)cc1 2449998 JYGSISXQSLPAIM-OAQYLSRUSA-N 442.028 6.546 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(C(F)(F)F)ccc2N2CCCC2)cc1 2595235 JCOTZZDKUPZBPN-UHFFFAOYSA-N 435.515 5.556 0 40 IKAB C[C@@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ncc(Cl)cc1Cl 2654962 BGUAHOVYTOIYAQ-GFCCVEGCSA-N 443.286 5.401 0 40 IKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1ccc(Br)cc1 2669383 RXHLQIIWVPYTCG-UHFFFAOYSA-N 441.272 5.768 0 40 IKAB COc1ccc(Cn2cc3c(-c4ccc(OC)cc4)nnc-3c3cc(OC)ccc32)cc1 2688478 QXEXKZZGIYLIMW-UHFFFAOYSA-N 425.488 5.277 0 40 IKAB FC(F)(F)c1cc(-c2ccco2)nc(-n2nc(-c3cccs3)cc2C(F)(F)F)n1 2803274 WNVQXJZYCNVKEE-UHFFFAOYSA-N 430.333 5.688 0 40 IKAB CN(C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2)C1CCCCC1 3220547 CECILMHKORCXKY-FYWRMAATSA-N 443.547 5.115 0 40 IKAB CC(C)N(Cc1ccccc1)C(=S)NC(=O)c1cc(Br)ccc1Cl 3264231 GENVRXYCECBQSD-UHFFFAOYSA-N 425.779 5.028 0 40 IKAB O=C(COC(=O)c1cccc(Oc2ccccc2)c1)Nc1ccc(N2CCCCC2)cc1 3295999 PGWMCRPIHHEXFS-UHFFFAOYSA-N 430.504 5.265 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2C)CC1=O 7543462 RMDJDWNTHYUZML-OAQYLSRUSA-N 425.532 5.312 0 40 IKAB O=C(CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccccc1F 8442727 QSYHUSJCQKUCML-UHFFFAOYSA-N 425.407 5.406 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4nnc(SCC(C)C)s4)c(N)c3cc2C1 8451061 OLUPVAHCTTUVNS-LLVKDONJSA-N 447.655 5.245 0 40 IKAB CC[C@]1(C(=O)c2ccc(Cl)cc2)[C@@H]2c3ccccc3OC(=O)[C@@]21C(=O)Nc1ccccc1 8682504 LCHKXPXWDLBGEY-BYXVTNLJSA-N 445.902 5.261 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3nc4ccccc4s3)c3ccccc3n2)cc1OC 8774376 AQNITUOZPRWBTF-UHFFFAOYSA-N 441.512 5.781 0 40 IKAB Oc1cc(OCc2ccc(F)cc2)ccc1-c1onc(C(F)(F)F)c1-c1ccccc1 8995392 CAPSKBHIWFEXKK-UHFFFAOYSA-N 429.369 6.451 0 40 IKAB biogenic CCOCCCn1c(C)c(C)c(-c2nc3ccccc3[nH]2)c1NC(=O)c1ccc(C)cc1 9060432 PWHNJMDADBDKSJ-UHFFFAOYSA-N 430.552 5.636 0 40 IKAB Cc1nc2ccc(NC(=O)C3CCN(c4ncnc5sc(C)c(C)c45)CC3)cc2s1 9254052 KKRQKWNYESEXIU-UHFFFAOYSA-N 437.594 5.081 0 40 IKAB COc1ccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9291392 QBQHUJAQWDHEPP-IRLDBZIGSA-N 434.337 5.954 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccc4ccccc34)n2)cc1Br 9345684 UJORFXHECOSHKL-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB Cc1c(CCC(=O)Nc2cccnc2)c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12 9410378 MDAGUTGKANJGDG-UHFFFAOYSA-N 442.446 5.620 0 40 IKAB Cc1cc(N[C@H](c2ccccc2)c2nnc(-c3ccccc3F)o2)ccc1Br 9561403 ZQDOSOBLNAPWNP-HXUWFJFHSA-N 438.300 6.148 0 40 IKAB CCn1c(COc2ccccc2Cl)nnc1SCC(=O)Nc1ccccc1C(C)C 9601258 QMLZWBVYPYAMRD-UHFFFAOYSA-N 444.988 5.385 0 40 IKAB COC(=O)c1c(SCc2ccc(C)cc2)nc2ccccc2c1OCc1ccc(C)cc1 9640107 GIXRXMBUMXNOTN-UHFFFAOYSA-N 443.568 6.510 0 40 IKAB C[C@@H](Sc1nc(-c2ccc(Br)cc2)nc2ccccc12)C(=O)N1CCCC1 9642437 AHPYTYKUDFYGQV-CQSZACIVSA-N 442.382 5.162 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(SCc4nc(-c5ccc(F)cc5)no4)o3)cc2C1 9791914 QGOQEAXUXQFWOR-NSHDSACASA-N 428.514 5.404 0 40 IKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1c(F)cccc1Br 9846063 BWJSWJGBUOSBBU-UHFFFAOYSA-N 446.364 6.263 0 40 IKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1occc1CS(=O)(=O)c1ccccc1 9911237 GYQBQWIAVNZRLF-UHFFFAOYSA-N 429.497 5.077 0 40 IKAB Cc1c(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)sc2nc(-c3ccccc3)cn12 10069105 ONBSWWBDTKENKM-UHFFFAOYSA-N 435.858 6.296 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 11024904 CFNNBDMQWZZTNH-ZQUCTSJQSA-N 449.616 8.161 0 40 IKAB CCOC(=O)c1ccccc1NC(=O)c1c(-c2ccccc2)oc2ccc(OCC)cc12 11866420 XDJCTZUBFPMTKZ-UHFFFAOYSA-N 429.472 5.928 0 40 IKAB biogenic CCOc1ccc(C2=NN3[C@H](C2)c2cccc(OC)c2O[C@@H]3c2cccc(OC)c2)cc1 12196591 HAOLSZMHWDKLOT-ZEQKJWHPSA-N 430.504 5.345 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(OC)cc3)=Nc3ccc(Cl)cc32)cc1OCC 12485956 DCJQBVLBQFWQRT-UHFFFAOYSA-N 449.938 5.580 0 40 IKAB O=c1[nH]c(/C=C/c2ccccc2I)nc2sc3c(c12)CCCCC3 12551684 CASYAOPQSYVAMY-ZHACJKMWSA-N 448.329 5.029 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Nc1ccc(N2CCC(C)CC2)cc1)c1ccccc1 12568135 OJNMNUYRCCCUCU-HHHXNRCGSA-N 443.591 6.032 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 12572963 JKNHQPORZNMTDJ-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CCOC(=S)SCC(=O)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 12577778 AQJHTDKLBVYMQL-UHFFFAOYSA-N 428.604 5.398 0 40 IKAB Clc1ccc(-c2cs/c(=N\c3ccccc3Cl)n2CCc2ccccc2)s1 12632891 TXCDDOBFVQPNEH-FLFQWRMESA-N 431.413 7.060 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(C(=O)c3ccc(F)cc3)cc2)c(Br)c1 12694469 QHTAZMSLQVTKEV-UHFFFAOYSA-N 442.284 5.145 0 40 IKAB Cc1ccc(-c2nnc(SCCCc3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 12775184 MFQJEADNOBGYSR-UHFFFAOYSA-N 446.454 5.839 0 40 IKAB CC(C)[C@@H](NC(=O)c1ccc(-c2ccc(Cl)cc2)o1)c1ccc2c(c1)OCCCO2 13098512 LFQVTFRZLJLHCV-HSZRJFAPSA-N 425.912 5.888 0 40 IKAB CCCCCCSc1ncnc2c1sc1nc(C(C)C)c3c(c12)CC(C)(C)OC3 13228261 YSZURUXFNOCLFR-UHFFFAOYSA-N 429.655 6.887 0 40 IKAB CCC(C)(C)C(=O)[C@H]1[C@@](C)(c2ccccc2)CC(c2ccccc2)=C[C@@]1(O)C(C)(C)CC 13510308 JYXYBEIHSGHFQN-LQJQRVQGSA-N 432.648 7.220 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc([C@@H](C)Oc3ccccc3Cl)n2CC)cc1 13870846 YLBMKTPUJPGGBU-OAHLLOKOSA-N 444.988 5.385 0 40 IKAB CCCC(=O)Nc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C2CCCC2)cc1 14244684 WVDDTJQNOZVKFL-UHFFFAOYSA-N 449.576 5.225 0 40 IKAB COc1cc([C@@H]2CC(O)=Nc3c2sc(C(=O)O)c3-c2ccccc2)cc(OC)c1OC 15081532 WBJWGQWQPZMTAG-AWEZNQCLSA-N 439.489 5.263 0 40 IKAB CCOC(=O)c1c(C)n(CCOc2ccc(C(C)(C)C)cc2)c2c1cc(O)c1ccccc12 16683028 LQUSMVIRXLQROO-UHFFFAOYSA-N 445.559 6.362 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1cccc(NC(=O)c2ccccc2Cl)c1 17097223 BJQLTRHMHBKQQP-UHFFFAOYSA-N 430.891 5.763 0 40 IKAB CO[C@H]1CCC[C@H](C(=O)NCc2ccc(-c3nc(C(C)C)ncc3-c3cc(C)no3)cc2)C1 19123811 MCWBDTNTYKKDAH-SFTDATJTSA-N 448.567 5.052 0 40 IKAB CSc1nc(SCc2c(Cl)cccc2Cl)c2c3c(sc2n1)CN(C)CC3 20390955 WJBQSDPPSUUQSE-UHFFFAOYSA-N 442.462 6.000 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cccc2C)c2ccc(Cl)cc2)cc1 22276093 BSJUNYUJKADRGX-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CN(c1ccc(Oc2ncnc3ccccc23)cc1)S(=O)(=O)c1ccc2ccccc2c1 24058200 JFNXPGCPKGDOSY-UHFFFAOYSA-N 441.512 5.400 0 40 IKAB Cc1ccc(C(=O)n2c(N)c(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)cc1 28535234 QALPNXHYDFSSIU-UHFFFAOYSA-N 437.421 5.492 0 40 IKAB O=C(NC[C@H](c1ccc(Cl)cc1)N1CCCC1)c1cc(-c2ccc(Cl)cc2)on1 32622151 APIMFPSTLHMYFS-HXUWFJFHSA-N 430.335 5.215 0 40 IKAB CCN1c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2-c2ccccc2S1(=O)=O 33088712 SUAKHZCAXTUQHD-UHFFFAOYSA-N 426.925 5.096 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2F)nc2cc(-c3ccccc3)sc2c1=O 33278148 JMGULTHHRNTSEJ-UHFFFAOYSA-N 439.537 5.015 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)cc1C(=O)NC1CCCCC1 33658216 ISOOBHRMKCNULQ-UHFFFAOYSA-N 441.380 5.165 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1OCC 34746016 WQTQTLQXUJULQP-UHFFFAOYSA-N 447.156 6.196 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2cccc([N+](=O)[O-])c2)o1 35167911 NMCCIZCPGSXTOS-UHFFFAOYSA-N 425.400 5.915 0 40 IKAB O=C1N/C(=N\c2cccc(C(F)(F)F)c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646098 BQMCUGLSRAQBAJ-WQRHYEAKSA-N 448.853 6.510 0 40 IKAB Cc1cccc(NC(=O)Cn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)c1 59109405 OZZDYWLCTZNLFT-UHFFFAOYSA-N 439.231 5.096 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12 67289967 LHMYLHXSKWZSBT-UHFFFAOYSA-N 432.549 5.061 0 40 IKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2CCc2ccc(Cl)cc2)cc1 71327652 GEUVILIQWMPHNG-UHFFFAOYSA-N 439.005 6.289 0 40 IKAB Cc1ccc(C2(CNc3cc([C@@H](C)Cn4nc(C)c(C)c4C)nc(C)n3)CCOCC2)cc1 72373179 XZOYWASVIBSXBO-IBGZPJMESA-N 447.627 5.179 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)NC(c3ccccc3)c3ccccc3)s2)cc1 89635199 ZPQOGFBXXJJKOZ-UHFFFAOYSA-N 446.601 5.588 0 40 IKAB Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)coc2c1 100156310 SSBGUTFBYADQGA-CALCHBBNSA-N 435.549 5.485 0 40 IKAB CCOC(=O)/C(=C\Nc1ccc(OC)cc1)Sc1ncc(C(F)(F)F)cc1Cl 100915340 NIBRIDQDNWTTCJ-XNTDXEJSSA-N 432.851 5.371 0 40 IKAB COc1cccc(/N=c2/scc(-c3ccccc3)n2CCc2c[nH]c3ccccc23)c1 101379474 GWCOHNUCKNSRCB-BYCLXTJYSA-N 425.557 6.182 0 40 IKAB CC(C)(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccc(F)cc4)C3=C(O)C2)cc1 101472950 XEVKWAVTQJYFCZ-PIIWDFAUSA-N 440.562 7.752 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2)C(=O)N1c1c(Cl)cccc1Cl 102733428 GWFDKPXTLMKEHJ-IRFCIJBXSA-N 439.298 5.045 0 40 IKAB O=C(NCc1ccc2ccccc2c1)C1CCN(Cc2ccc(Br)cc2)CC1 222800406 FQLZTIGGTLHJQU-UHFFFAOYSA-N 437.381 5.131 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 223652872 OMCKFGRIYPROIG-XMMPIXPASA-N 438.612 5.221 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCC2)cc1 223759591 NKYJZPJFWOYSSK-OAQYLSRUSA-N 438.637 5.262 0 40 IKAB Cc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224050781 BWJJHRPSRBIDTO-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 224221459 OKUBWZDBYDADJO-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1cccc2ccccc12 224307026 UBWXFGSMXNOWID-UHFFFAOYSA-N 425.528 6.605 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(C)c1 224366008 DMRJLKFTKLSKAM-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccccc3)o2)N1c1ccc(Cl)cc1 224475917 BIPKZPGAMOOSAW-XZOQPEGZSA-N 431.948 6.172 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224550013 ICSSJYGAZXZJMU-UHFFFAOYSA-N 437.946 5.316 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224551523 WQQHRIUMKMEVJY-SANMLTNESA-N 430.592 5.352 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 224648365 JRONBMVBSQGYGD-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225244196 JDASRRHVVPUECW-QHCPKHFHSA-N 445.003 5.141 0 40 IKAB CCN(CC)CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1 225577474 XMTFRLQCAVRMPS-UHFFFAOYSA-N 445.003 5.138 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1C 225644063 FWXXHROYZYJXNP-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225664522 PVZZHXCWMNOHCH-IBVKSMDESA-N 448.582 5.634 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3Cl)CCCC2)ccc1OC(C)C 225750732 HAGNLLPXKKQJAS-UHFFFAOYSA-N 429.944 5.754 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 226324529 SAXBBVPBAYLCMR-VXGBXAGGSA-N 426.775 5.964 0 40 IKAB FC(F)(F)c1ccc(Cc2ccc(C3CCN(Cc4ccccc4Cl)CC3)nc2)cc1 257207971 BKDMEIWUOPNAIJ-UHFFFAOYSA-N 444.928 6.724 0 40 IKAB O=C1CC2(CCN(C(=O)c3ccccc3-c3ccccc3)CC2)[C@@H](c2ccc(F)cc2)CN1 257258037 KSDQJAFAVMYELW-RUZDIDTESA-N 442.534 5.019 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 408549404 YZDLQQZTFFINNU-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccccc2Oc2ccccc2)cc1OC 408559512 ZZODNPKGLSZBAA-UHFFFAOYSA-N 442.309 5.901 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 408563576 OIVQUUNMACWVLR-SIKLNZKXSA-N 438.490 5.143 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)cc3)cc2)c1 408681000 VMXMXVTXOIIJKR-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(OCc3cccc(C)c3)ccc3ccccc23)C1=O 409020377 OSHRBHMZJYHZIK-LSPPGFKNSA-N 431.557 6.562 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(C)C)cc2)C1=O 409163733 XBFZALVHUNZLCL-NDENLUEZSA-N 438.549 5.013 0 40 IKAB Cc1cc(C)cc(C(=O)N2CCC[C@@]3(C2)CN(C(C)C)Cc2c(-c4ccccc4)ncn23)c1 585106593 CJJRWXVTDKHPQX-MUUNZHRXSA-N 442.607 5.022 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c3ccccc3n2)s1 670564 HYPXQCPGZJSFLW-UHFFFAOYSA-N 447.585 5.563 0 40 IKAB O=C(Nc1ccccc1)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccccc1 842023 LYFJTNDIUWCUNA-XQOSCOKLSA-N 444.534 5.787 0 40 IKAB Cc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3nc4c(s3)CCCC4)c2c1 906290 AEDXQXVVJRGJBP-UHFFFAOYSA-N 446.601 5.671 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccccc3)s2)c1 977173 MKKMRZKPODNESJ-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)Nc2ccccc2)cc1 1353218 BRMLHQVTAKZQLG-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3N(Cc3ccc(C(F)(F)F)cc3)C(=O)[C@@H]2C)cc1 1381917 ZRGQMMMSHBSHCR-KRWDZBQOSA-N 438.449 5.596 0 40 IKAB O=S(=O)(Nc1cccc(COCc2ccc(F)cc2)c1)c1ccc(C(F)(F)F)cc1 1405925 IWVZUUMNBJAZMF-UHFFFAOYSA-N 439.430 5.362 0 40 IKAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)Nc1cc(C(F)(F)F)ccc1Cl 1973246 CJKBJLDLJMEYBY-UHFFFAOYSA-N 426.605 5.461 0 40 IKAB CCCOC(=O)c1c(NC(=O)C(c2ccccc2)c2ccccc2)sc2c1CC[C@@H](C)C2 2082428 PXXKEWNXGSXDTB-GOSISDBHSA-N 447.600 6.210 0 40 IKAB Cc1ccc(C)c(OCc2ccc(C(=O)Nc3ccc(C(=O)N4CCCCC4)cc3)o2)c1 2759731 DQXBCECKVIGDPP-UHFFFAOYSA-N 432.520 5.354 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)c3ccc(Br)s3)s2)c(C)c1 3300635 VEWZQRKCGGRWIU-UHFFFAOYSA-N 440.413 5.698 0 40 IKAB c1ccc(-c2nc(CSc3nnc(-c4cccs4)n3-c3ccccc3)cs2)cc1 3313435 WVZOLPDKKJWVIY-UHFFFAOYSA-N 432.599 6.412 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 8753005 MLWWDAIPUXPTDD-QFIPXVFZSA-N 439.559 5.643 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 8753302 LIIJEFLHZSOYDQ-HSZRJFAPSA-N 439.559 5.330 0 40 IKAB COc1cc(C)c(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)cc1OC 8900558 XPQOPIQODOYDRH-UHFFFAOYSA-N 429.472 5.346 0 40 IKAB COP(=O)(OC)c1nc(Cc2cccc3ccccc23)oc1NCc1ccc(F)cc1 8917187 VHCHKFWSZSSPLE-UHFFFAOYSA-N 440.411 5.281 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 9191636 VRSWQZYJKHVRPE-LJQANCHMSA-N 445.950 5.657 0 40 IKAB Cc1ccc(CSc2nnc([C@H](C)NC(=O)c3ccccc3F)n2-c2ccccc2)cc1 9426780 FXYFWAYSZPUVQW-SFHVURJKSA-N 446.551 5.498 0 40 IKAB O=C(Cc1csc(-c2ccc(F)cc2)n1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 9461452 AWHFGVWQUUZLDE-UHFFFAOYSA-N 447.539 5.115 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccs2)n1Cc1ccco1 9463877 MSMWZEASLOLWOH-UHFFFAOYSA-N 444.969 5.341 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3[nH]1)CCCC2)c1ccccc1C(F)(F)F 9511817 JGARAZWHDVBVIV-UHFFFAOYSA-N 441.478 6.441 0 40 IKAB O=C(Cc1ccc2c(c1)OCO2)Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2 9521381 FBTQBBVRNZWJBX-UHFFFAOYSA-N 448.569 5.814 0 40 IKAB CCc1cccc2c(C(=O)CSc3nnc([C@H](C)Oc4ccc(F)cc4)o3)c[nH]c12 9669729 IBUDFGOCJKWSGX-ZDUSSCGKSA-N 425.485 5.367 0 40 IKAB O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)C1 9872480 SVYSJXCLLMLUFF-NQIIRXRSSA-N 448.592 5.294 0 40 IKAB Cc1ccc(-c2cc3nc(-c4ccc(Br)cc4)cc(C(F)(F)F)n3n2)cc1 9907397 REELLJTUUOJIKD-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB O=C(Nc1ncc(Cc2cc(Cl)ccc2Cl)s1)c1cc2ccccc2oc1=O 11520955 QTZFIYIVWMCXRC-UHFFFAOYSA-N 431.300 5.399 0 40 IKAB CCOC(=O)c1ccc2c(c1)n(CN1CCC(Cc3ccccc3)CC1)c(=S)n2CC 12619245 VFDMCATWLWTRIR-UHFFFAOYSA-N 437.609 5.281 0 40 IKAB Cc1nc(-c2ccc(NC(=O)[C@H](Cc3ccccc3)NC(=O)OC(C)(C)C)cc2)cs1 12822659 HQVCPQSEBNXSGQ-FQEVSTJZSA-N 437.565 5.193 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)o1 12855240 ANNNMOKSVXTWLQ-UHFFFAOYSA-N 427.891 6.704 0 40 IKAB Cc1cccc(-c2nnc(SCCC(=O)N[C@H](C)c3ccccc3)n2Cc2ccco2)c1 12922273 FUCDMSSZIZIVSB-LJQANCHMSA-N 446.576 5.254 0 40 IKAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 13042161 ZPGLYXBRLNTASV-IGKIAQTJSA-N 442.559 5.743 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2 13694980 XKLYNTMFHRXNBR-UHFFFAOYSA-N 447.343 5.275 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccccc2)cc1 13712944 NDKVNSJUHRMKDC-XZOQPEGZSA-N 430.870 5.283 0 40 IKAB Cc1ccc(Cn2nc(-c3ccc(C)cc3)c(Br)c2-c2ccc(C)cc2)cc1 13960579 KNYNFOZMCZTEAB-UHFFFAOYSA-N 431.377 6.953 0 40 IKAB CCOc1ccccc1NC(=O)N[C@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 15778692 ZXYYAGSKYUELQV-OAQYLSRUSA-N 448.910 5.700 0 40 IKAB O=C(Cn1nc(COc2ccc(Cl)cc2Cl)oc1=S)c1ccc(Cl)cc1 16769538 WVOFYKFFFKGKRH-UHFFFAOYSA-N 429.712 5.628 0 40 IKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(F)cc12)Cc1ccccn1 17136001 LZBMUFZDHVALMA-UHFFFAOYSA-N 432.568 5.761 0 40 IKAB CC12[C@H]3c4cccc5cccc(c45)[C@@H]3N([C@H]3c4cccc5cccc(c45)[C@H]31)N2c1ccccc1 17948825 IDPUIWYSFAENMW-GSZGAJLASA-N 436.558 7.479 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373185 CXEBMIILEYDRIX-NFBKMPQASA-N 425.536 5.302 0 40 IKAB CC[C@H](NC(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 19637005 MNRHHJBECOCSDD-RAXRNYJGSA-N 442.607 5.669 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)COc2cc(C)c(Br)c(C)c2)cc1 20482023 WZPGMESNPCKTIZ-FQEVSTJZSA-N 434.374 5.357 0 40 IKAB Cc1ccc2nc(COc3ccccc3NC(=O)Nc3cc(Cl)ccc3C)cc(=O)n2c1 21156960 LBMZFLTYJYSXFO-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578908 MAKYJXSUKHWBLS-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB CCOc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1 21730645 HYELWUDDDFPRNU-UHFFFAOYSA-N 427.529 6.630 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)cc1 27992205 FCIBUBCAIKLQEK-HXUWFJFHSA-N 441.369 5.379 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)c2nc(SCc3ccccc3F)ncc2Cl)c1 28290434 WIVYFCUSWSLMGF-UHFFFAOYSA-N 430.932 6.212 0 40 IKAB COc1ccc(-c2cc(OCC(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 32985611 NYWZERXRYPWQQC-UHFFFAOYSA-N 432.907 5.890 0 40 IKAB CCOc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)cc1 33026634 USDWQOGWTYWFLB-UHFFFAOYSA-N 446.532 5.030 0 40 IKAB CCOC(=O)c1cnc2c(-c3ccccc3)c(C(F)(F)F)nn2c1-c1ccc(C)cc1 35074628 NDPWTQUYUPUJFW-UHFFFAOYSA-N 425.410 5.567 0 40 IKAB CCCCn1nc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3CC)cc1C 36613292 HOXLKHRMCGFEEC-UHFFFAOYSA-N 430.556 5.292 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)C[C@H]1COc2ccccc2O1 40040408 SJCLXJMEGLCGLC-INIZCTEOSA-N 448.466 5.049 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 44848715 KORTVHSEVNVCLT-KRWDZBQOSA-N 425.981 6.522 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 44915725 KODHYWNCSJRGPG-OAQYLSRUSA-N 432.951 5.422 0 40 IKAB CCc1nnc2c(S(=O)(=O)N(Cc3ccc(C)cc3)c3ccc(C(C)C)cc3)cccn12 49405059 SSACRZSBZNZZMI-UHFFFAOYSA-N 448.592 5.119 0 40 IKAB CCCCc1nc(-n2cccc2)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 49546974 NXJVHZRNELRHNC-UHFFFAOYSA-N 444.000 5.054 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)cc1 57487686 BGSKKQVFZWWPIO-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccsc3c2=O)c1 57488257 DVNPNFMKVOXCMW-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CCCCCOc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ccc(C(C)C)cc2)cc1 59498063 BCSAKRZDAVUEEM-MHZLTWQESA-N 428.576 7.150 0 40 IKAB O=C(O)c1cc(Cl)c(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(Cl)c1 59843143 ZTAMBYKFTSLEEZ-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB C[C@@H]([C@H]1CCC[C@H]1P(C(C)(C)C)C(C)(C)C)P(c1ccccc1)c1ccccc1 60291251 QBIZCKHDRQWUDD-FTBPSBKWSA-N 426.565 7.755 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(Cl)cc3C)oc12 67295784 ZQBZZQFXRFEZAP-PNHLSOANSA-N 433.895 5.591 0 40 IKAB CC(C)(C)c1cc(C(=O)N2CCC(S(=O)(=O)Cc3ccco3)CC2)cc(C(C)(C)C)c1 96099514 UARSECWXBJNURP-UHFFFAOYSA-N 445.625 5.094 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5cccs5)cc34)co2)cc1 96154279 PGYIWIBSVQKJPC-UHFFFAOYSA-N 431.473 5.150 0 40 IKAB CC(=O)N(c1cccc(Cl)c1)c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1 97987513 NAVJYDVTIOSQND-YBFXNURJSA-N 437.908 5.134 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)cc2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102062295 OAYISQICTHPCKE-RPEAPLKRSA-N 442.603 6.027 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cccc(Cl)c1N1CCCCC1 107778185 IMIAVBHRFGJRLY-ZDUSSCGKSA-N 427.759 6.043 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219961137 GQARCRJAUIWHQM-UHFFFAOYSA-N 442.603 6.181 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 222686792 KLJQABSJBXHYNZ-QFIPXVFZSA-N 449.422 5.566 0 40 IKAB COCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223028360 VEZBEHLPTHJGQU-PMACEKPBSA-N 448.375 5.267 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 223043385 UANWIWGJVWFIFK-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB COc1ccc(F)cc1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 223692740 QEXULBGSQLNJFC-UHFFFAOYSA-N 441.524 5.164 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223832037 KZANTELMEHQXDR-DQEYMECFSA-N 441.556 5.917 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccc(C(C)(C)C)cc1 224178547 BVZBGJPUWFVKJU-UHFFFAOYSA-N 437.967 6.155 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224384259 IUZRSWNDDXYLNV-RPBOFIJWSA-N 430.621 6.299 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)cc1C 224409890 OOKMGEFIFFQYRR-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2cccn2-c2ccccn2)N1c1ccc(Cl)cc1 224454521 FEIWOXZQIVOFNI-YADHBBJMSA-N 431.952 5.098 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 224582393 HZMZKKZYXRDXFH-XMMPIXPASA-N 449.978 6.731 0 40 IKAB CCN(c1ccc(OCc2ccccc2)cc1)S(=O)(=O)c1cc(Cl)ccc1Cl 224937386 GJXPETZVIUMGDU-UHFFFAOYSA-N 436.360 5.788 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CSc1ccccc1 224946475 MCZHCICQFAKVHI-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225076804 UFSXNPMYOZNSSH-VQTJNVASSA-N 445.003 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225092177 WGJCJTOADMOBKT-IAGOWNOFSA-N 435.395 5.176 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCc3ccccc3)c2)cc1 225385494 HDKXPFRGWUOOBI-UHFFFAOYSA-N 430.617 6.134 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCC(=O)N4CCCCC4)cc3)CCCCC2)c1 225539445 CABGRTXBFWLUES-UHFFFAOYSA-N 434.580 5.227 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)c(Br)c1 227157579 NJLUAYGARHBFJV-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB Cc1cc2cc(C(=O)N3CC[C@H](c4c(C(=O)NC(C)C)sc5ccccc45)C3)ccc2o1 257306061 SSTFTKNAYXZTHC-SFHVURJKSA-N 446.572 5.724 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C 257752787 ZCBDFGFNCFLBOL-MKMJMBCESA-N 426.729 8.335 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Br)cc2C)cc1OC 390470066 BGRCTIWUQNJJOZ-UHFFFAOYSA-N 443.179 5.930 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C(\Sc3nc4ccccc4o3)C(=O)O)o2)cc1 408632991 IONBJUGGCLDSFW-MOSHPQCFSA-N 435.457 5.482 0 40 IKAB COc1cc(/C=C(\Sc2nnc(C)o2)C(=O)O)ccc1OCc1cccc2ccccc12 408633270 XKFXFTQNKGGWBB-XKZIYDEJSA-N 448.500 5.337 0 40 IKAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 408646146 VPTZQVLBHVAWIK-SFHVURJKSA-N 434.923 5.686 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@H]3C)C2=O)ccc1O 408804945 HOAAUDLRFNXQAL-PUSCBPJZSA-N 437.585 5.845 0 40 IKAB Oc1nc(-c2ccc(Sc3cccc4cccnc34)o2)nc2sc3c(c12)CCCC3 408993822 WZZAMMPMBXOBKF-UHFFFAOYSA-N 431.542 6.235 0 40 IKAB O=C(CSc1nnc(COc2ccc3ccccc3c2)o1)Nc1ccc(Cl)cc1 409007789 RMRAXRCHXVXOCI-UHFFFAOYSA-N 425.897 5.186 0 40 IKAB Cc1cccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c1C 409116042 LHGSVEAYUSDCDS-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCc1sc2nc(SCCc3ccccc3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409118751 UIBAOJVMBOIZMP-UHFFFAOYSA-N 448.657 6.605 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4cccc(C)c4)C3=O)cc2)cc1 409251382 PUZXCBREJADFMU-HAHDFKILSA-N 431.582 6.691 0 40 IKAB O=C1S/C(=C/c2cccn2-c2ccc(Cl)cc2)C(=O)N1Cc1ccc(Cl)cc1 409253238 ZEOBEJUWNZWBDP-XDHOZWIPSA-N 429.328 6.021 0 40 IKAB COc1cccc(C(=O)n2nc(Nc3ccccc3OC)cc2Nc2ccccc2OC)c1 575442791 AKTGIQABHZNKAI-UHFFFAOYSA-N 444.491 5.085 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)NC[C@@H](O)c1ccc(-c2ccsc2)s1 675008445 ZMKIWPODGGZKKB-CQSZACIVSA-N 428.362 5.012 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Cl)cc(Cl)c1OC 812070 RYDSSQQTWKRDLN-UHFFFAOYSA-N 435.263 5.108 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1Br 817524 DTINGPKYLRIBCY-UHFFFAOYSA-N 439.309 5.352 0 40 IKAB COc1ccc(C(=O)N2c3ccc(OC)cc3-c3c(ssc3=S)C2(C)C)cc1 828388 JTVOIYBJBGSZCJ-UHFFFAOYSA-N 429.588 6.119 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 829957 WMTQIDINMIKZBK-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1Br 888090 FTLKMJLLPAMPLH-BWWMBTDCSA-N 444.328 5.154 0 40 IKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 1187689 GHVOMBLDMXBYRR-DMTYEBIYSA-N 445.518 5.313 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1224672 JPBDOFNNOACILS-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB Cc1ccccc1NC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1C 1378917 ACCZUFUAAWJOFF-UHFFFAOYSA-N 430.327 5.027 0 40 IKAB Cc1cc(NCCN(C(C)C)C(C)C)nc(Nc2nc3cc(Cl)c(Cl)cc3[nH]2)n1 1555867 LFKOKEPNPNOGQB-UHFFFAOYSA-N 436.391 5.242 0 40 IKAB Cc1ccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)cc1C 1895961 MBROACARRSSMNC-UHFFFAOYSA-N 446.978 6.583 0 40 IKAB Cc1ccc(N2CCN(c3cc(C(C)(C)C)nc4c(-c5ccccc5)cnn34)CC2)cc1 2332153 NUPZBNQZDZNVDF-UHFFFAOYSA-N 425.580 5.329 0 40 IKAB O=C(Sc1c(Cl)cccc1Cl)c1c(Cl)nsc1-c1ccccc1Cl 2380531 QRZQXHZSFFIAPH-UHFFFAOYSA-N 435.184 7.356 0 40 IKAB Cc1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1 2401188 ZVWKYDYVVYMZLH-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB biogenic Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)c1 2407755 PPCCUDAEMBTQSI-UHFFFAOYSA-N 446.576 5.914 0 40 IKAB CCN(CC)CCCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(C)cc1 2890280 UNUOVCHSUPVQHH-QFIPXVFZSA-N 438.955 5.032 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134461 TVLMGNOZTHTHSL-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSc4ncnc5ccccc45)cc3)sc2c1 3253912 DSFFSWTUIGYDIQ-UHFFFAOYSA-N 442.569 5.946 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 4994635 OCUUJCYZEABEMN-STZQEDGTSA-N 438.634 5.507 0 40 IKAB Brc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1 6143836 ISYSXAZFPFGGGE-UHFFFAOYSA-N 448.183 6.179 0 40 IKAB Cc1ccc(-c2nc3cccnc3s2)cc1NC(=O)C1c2ccccc2Oc2ccccc21 8685232 UGZBLEJEPMRJSI-UHFFFAOYSA-N 449.535 6.543 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)c1 8717701 WIRVQVBMBDMYDQ-SANMLTNESA-N 439.559 5.231 0 40 IKAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccc(N2CCCCCC2)cc1 8746610 YUEPXYLXVHGBDK-UHFFFAOYSA-N 431.565 5.179 0 40 IKAB Cc1cc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)c(C)s1 9056315 VRWFHDLMBQGSKT-UHFFFAOYSA-N 433.986 5.499 0 40 IKAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)Nc1ccccc1Oc1ccccc1 9128850 RKTDJQTXKKRCNE-UHFFFAOYSA-N 438.483 5.749 0 40 IKAB Cc1cc(-n2c(C)cc(C(=O)CSc3nc(C(F)(F)F)nc4ccccc34)c2C)no1 9170219 ZUIPBDANWGMJTO-UHFFFAOYSA-N 446.454 5.328 0 40 IKAB CSCC[C@H](NC(=O)C1CCC(C(C)C)CC1)C(=O)N1CC=C(c2ccccc2)CC1 9195267 MEEWRXMUNWUKLE-BOYUCYPVSA-N 442.669 5.003 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3cccs3)n(-c3ccc(C)c(C)c3)nc(C)c2=O)cc1 9232403 QXKNNIGZRYKLAE-UHFFFAOYSA-N 429.545 5.447 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)n1 9282649 QUBICXTVLJINPU-FQEVSTJZSA-N 437.282 5.553 0 40 IKAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1OCc1c(F)cccc1Cl 9327401 NDVKQGYYRTZRHZ-UHFFFAOYSA-N 443.931 6.148 0 40 IKAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3[nH]2)cc1 9444037 MTLJANHVHZZEGO-FQEVSTJZSA-N 448.573 5.103 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 9581470 RYHJQVMKGAKULU-IBGZPJMESA-N 426.516 5.702 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1cc(-c2ccccc2)nn1-c1ccccc1 9583758 BDHDWOXRIRUBMM-UHFFFAOYSA-N 428.473 5.008 0 40 IKAB COc1cc(C(=O)N2CC[C@@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc(OC)c1OC 9594118 LRWSGTAEMDTYPP-WPWBMXPQSA-N 443.971 5.467 0 40 IKAB O=C(Nc1nnc(SCc2cccc3ccccc23)s1)c1ccccc1C(F)(F)F 9600088 FBRQPXSDXDMDPX-UHFFFAOYSA-N 445.491 6.255 0 40 IKAB CC(=O)Nc1cccc(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 9670956 KBKFMQGHZOMSOL-OAQYLSRUSA-N 431.923 5.342 0 40 IKAB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(Cl)cc4)c3c2c1 9676118 YDEMIZRUGVVWIC-UHFFFAOYSA-N 448.751 6.965 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)cc3)nc3c(cnn3-c3ccccc3)c2=O)c(C)c1 9762200 FPMNLNUFGIBWLE-UHFFFAOYSA-N 426.907 5.509 0 40 IKAB Cc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1C 9847517 UKIDUMUENSSLAH-UHFFFAOYSA-N 429.541 5.532 0 40 IKAB C[C@H](NC(=O)c1ccccc1NS(=O)(=O)c1ccccc1)c1ccc(C(C)(C)C)cc1 10111979 XBPYCNKOOXTPFZ-SFHVURJKSA-N 436.577 5.276 0 40 IKAB COc1cccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)s2)c1 10267685 NVKOXLBOBUAGJX-UHFFFAOYSA-N 441.365 5.328 0 40 IKAB COc1ccc2c(c1)s/c(=N/C(=O)c1cc(-c3cccs3)nc3ccccc13)n2C 12139821 XBYVSQFEGKOYPU-WJTDDFOZSA-N 431.542 5.266 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193067 LYPPIHPRQAFBOM-ZCYQVOJMSA-N 447.376 6.815 0 40 IKAB COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc(F)cc4)=NN32)cc1 12196075 RWYHXFGKNALADQ-FYYLOGMGSA-N 436.870 5.508 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3ccc(F)cc3)C[C@H]21 12196108 DTFVQLHCRPOFPV-RCZVLFRGSA-N 446.478 5.253 0 40 IKAB CCOc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)ccc1OCc1ccc(C)cc1 12285441 JSHJAFOKZPZLGM-UHFFFAOYSA-N 446.572 5.817 0 40 IKAB COc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN12 12559850 HYUZMXWPYFYBRQ-UHSQPCAPSA-N 432.523 6.605 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](c1ccccc1)N(C)Cc1ccc(Cl)c(Cl)c1 13095667 IGTSCZCPQNBVPF-HSZRJFAPSA-N 443.374 6.204 0 40 IKAB Fc1ccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3ccc(F)cc3)c2Cl)cc1 13960804 DZCWJJSWSWQUFQ-UHFFFAOYSA-N 433.260 6.990 0 40 IKAB COc1ccc2cc(CSCc3cc4ccc(OC)cc4nc3Cl)c(Cl)nc2c1 14244023 PHZLKCYLWZTPTJ-UHFFFAOYSA-N 445.371 6.540 0 40 IKAB CSc1ncc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)n1-c1ccc(F)cc1 15322294 RWDMXBDQCBKKQD-UHFFFAOYSA-N 449.536 5.362 0 40 IKAB CCOc1ccccc1NC(=O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 15880648 TUBZUSRAPLMWBL-UHFFFAOYSA-N 430.917 5.020 0 40 IKAB COc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCc1ccccc1Cl 16606002 KDNVQDKZQLMXSD-WXIHSGNDSA-N 440.027 6.766 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)cc1 17097999 LQJAJQWGVWFXJP-UHFFFAOYSA-N 432.523 7.538 0 40 IKAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cl)c(NS(=O)(=O)c2ccc(F)cc2)c1 18125054 YUGKFMIYXGYIOD-OAHLLOKOSA-N 446.931 5.113 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@@H]3CCCN3[C@@H]3CCSC3)nn21 19343866 QUDLRRSRMZPSRT-VWNJHIHFSA-N 428.549 5.247 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](c2ccc(F)cc2)[C@@H]2CN(Cc3cccc(F)c3)CC[C@@H]21 19369005 UYRWOSLZKIILFR-GSDHBNRESA-N 432.514 5.095 0 40 IKAB COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)c(C)c1C 19577346 BRZXNEAPIYYDAO-PXDATVDWSA-N 449.620 5.152 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cccc(-c2nc3cc(Cl)cc(Cl)c3o2)c1 19637668 SECJIFZNRDEHSU-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CCOc1cccc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)c1 19638624 YUAMDAFZXFXDME-UHFFFAOYSA-N 443.551 5.226 0 40 IKAB Clc1cccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 19893497 XFNLXYCLRZTDIB-UNMCSNQZSA-N 429.734 6.889 0 40 IKAB c1cncc(CN2CN(c3nc4ccccc4s3)CN(c3nc4ccccc4s3)C2)c1 19899730 BZGCENQGLAJLCJ-UHFFFAOYSA-N 444.589 5.002 0 40 IKAB Cc1ccc(N2CCN(C[C@H](O)COc3ccc4ccccc4c3Cl)CC2)cc1Cl 19908860 BOTZTPZHUIUQLN-FQEVSTJZSA-N 445.390 5.017 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1 20862338 OCIQXNJIFYAXMZ-SFHVURJKSA-N 443.576 5.070 0 40 IKAB Cc1ccc2nc(COc3cccc(NC(=O)Nc4cccc(Cl)c4C)c3)cc(=O)n2c1 21100546 DVVQMXRUPXAPQG-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(Nc1cccc(-c2nn3cnnc3s2)c1)c1sc2cc(Cl)ccc2c1Cl 21123772 NCUNVDCZFCAZOG-UHFFFAOYSA-N 446.344 5.627 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1cc(C)cc(C)c1)S(=O)(=O)c1ccc(C)cc1 22275582 SQPLRDODWSEWHE-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Oc1c([C@@H](c2ccc(F)cc2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852273 IXKYAEOBURUPIO-HXUWFJFHSA-N 446.507 5.043 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)Nc3ccc(Cl)cc3Cl)nc(N)c2c1C 24773987 XGHLETALZMENPQ-VIFPVBQESA-N 427.382 5.316 0 40 IKAB Cc1cccc(CSc2ncc(Cl)c(C(=O)Oc3cc(C)ccc3C(C)C)n2)c1 28290488 KMVAPUQQAQEUIN-UHFFFAOYSA-N 426.969 6.382 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@H]2c1ccc(Cl)cc1 35092849 UCLWIBNAFORYLW-JMURAYMPSA-N 440.971 5.670 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1nnc(SCc2ccccc2Cl)s1 35671471 IRGQZADGGSBOEJ-UHFFFAOYSA-N 442.953 5.700 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O)c1ccc(Br)cc1 38940631 CYUKYTRZNNMISY-CXUHLZMHSA-N 436.714 5.022 0 40 IKAB O=C(Nc1nnc(SCc2ccc(Cl)cc2)s1)c1coc(Br)c1 40068196 LAMKBBGLMJIXGW-UHFFFAOYSA-N 430.736 5.092 0 40 IKAB CCOC(=O)C[C@H](c1ccccc1)C1CCN([C@H](C)C(=O)Nc2ccccc2Cl)CC1 40139325 IEXZYJMPPPXKKR-WIYYLYMNSA-N 442.987 5.116 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccc4ccccc4c3)o2)cc1 57858235 IVVJRKYTZFPXKO-UHFFFAOYSA-N 432.549 5.467 0 40 IKAB CSc1nccn1-c1cccc(C(=O)Nc2ccc(NC(=O)N3CCCCCC3)cc2)c1 58439277 HTZJFGDFVXKQBE-UHFFFAOYSA-N 449.580 5.254 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(Cl)c3)OC2=O)ccc1OCc1ccccc1 59195063 KKTBIORZGPAFJU-BKUYFWCQSA-N 433.891 5.662 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1cc(Cl)ccc1F 67294630 FTWRNOKTNSICJT-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB Nc1c(Br)cc2nc(-c3ccc(Cl)c(Cl)c3)oc2c1Br 70461363 ALUCJNSGLIIOJM-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB C[C@@H](Sc1nnc(COc2c(Cl)cccc2Cl)n1N)c1c(F)cccc1F 84647353 GWTMAORNGZWVCK-SECBINFHSA-N 431.295 5.009 0 40 IKAB Cc1cc(C)c2nc(-c3ccc(-c4ccc(Br)cc4Br)o3)[nH]c2c1 85345556 FQTSSUKFPCJPOB-UHFFFAOYSA-N 446.142 6.632 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(O)=C2[C@H]1c1ccco1 100429437 CLGJGVPRZABLNA-DNOBIOAJSA-N 442.515 6.248 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c(OC)c1 102839785 ZRVPLKLACAGKSC-VDNWNZSNSA-N 430.548 5.474 0 40 IKAB Clc1ccc(CCn2c(-c3ccc4c(c3)OCCO4)cs/c2=N/c2ccccc2)cc1 102962722 YQFARTZTTPXAQJ-IMVLJIQESA-N 448.975 6.116 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(-c4ccccc4C(F)(F)F)o3)C2=O)c1 214557829 UVBLZAVFVNCWAV-UDWIEESQSA-N 443.446 6.510 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 223690926 KHIAPAPRKDUUFJ-RUZDIDTESA-N 438.612 5.221 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224097671 CDISSKRLMLNIRE-QFIPXVFZSA-N 448.651 5.435 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc(Cl)cc3C)ccc2C)cc1 224307351 WOMGNKYITKWCKG-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224441745 VRNNMIKJZZVQAD-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB Cc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471768 AHTCWSACFDNWJE-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1cccs1 224539872 PRVYQLBDVWRWSK-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C(C)C 224567885 OIAFDLMXBLPNPN-UHFFFAOYSA-N 435.589 6.762 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1cccc2ccccc12 224632332 SIZYJLNGSGCNEK-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1COC(C)C 224721285 FKRQBDVADONLPQ-UHFFFAOYSA-N 439.939 6.708 0 40 IKAB CCCCc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1 224880884 OZNZUKPWDCVQLW-UHFFFAOYSA-N 427.342 6.018 0 40 IKAB CCn1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)c(C)c1 224943799 AZNOOBWEUBCGIJ-PMACEKPBSA-N 441.398 5.151 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 225632670 YDDJYTIABLVMEJ-DENIHFKCSA-N 445.003 5.058 0 40 IKAB C[C@H](C(=O)N1CC[C@H](c2cc3n(n2)[C@@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1)c1ccccc1 248195060 ONAOSPSDEHIPSY-SMMRIJLZSA-N 448.533 5.336 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257230462 GCMCIQZFVPFERL-QGZVFWFLSA-N 430.961 5.093 0 40 IKAB CC(=O)OC1=C(C)C2=CC[C@H]3[C@@H](CC[C@]4(C)[C@H]([C@H](C)CCCC(C)C)CC[C@H]34)[C@@]2(C)CC1 257348350 DUXQZAKZLLLKRV-MEJKXQBASA-N 440.712 8.475 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 408573080 LRUPVOXODABJSW-JQIJEIRASA-N 447.560 5.602 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)cc1 408697414 HDIPABJHVOIPSB-UHFFFAOYSA-N 430.939 6.019 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 408699307 STMHEBJLRAGURC-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C(O)[C@@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2nc(SCc3ccccc3)sc2c1 408750596 PESIAPJFZBSXRU-IQGAEYHTSA-N 436.558 5.050 0 40 IKAB CCCc1sc(Nc2ccc(Br)cc2)nc1-c1ccc(OC)c(OC)c1 408753531 AMYDCSLXYFUYTI-UHFFFAOYSA-N 433.371 6.286 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(OCc4ccccc4)cc3)n3ncnc3n2)cc1Cl 409058367 MVHWJYXXPQZCNE-UHFFFAOYSA-N 447.325 6.344 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)/C(=C/c1ccco1)c1ccccc1)c1ccccc1 409140880 SZUSPIQXCYUDFD-VHVXKRGMSA-N 436.511 5.950 0 40 IKAB CCOc1cc(/C=C2/C(=O)Nc3ccccc32)ccc1OCCOc1ccccc1OC 409205848 KRLLOUOWCYTVTN-CAPFRKAQSA-N 431.488 5.044 0 40 IKAB Oc1nc(-c2cc(Br)ccc2OCc2ccccc2F)nc2ccccc12 409250939 NSMRYBAGXBVOAM-UHFFFAOYSA-N 425.257 5.483 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc(F)c(F)c1 646578 MTHUTEYYKBPBQC-LLVKDONJSA-N 439.409 5.560 0 40 IKAB Nc1c(C(=O)Nc2cc(Cl)cc(Cl)c2)sc2nc(-c3ccc(F)cc3)ccc12 661677 CWTBUMFLYJQWJL-UHFFFAOYSA-N 432.307 6.244 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCc2c([nH]c3ccccc23)[C@H]1c1ccc2c(c1)OCO2 1103462 QDEVMYGQHGYALP-XMMPIXPASA-N 430.891 5.338 0 40 IKAB biogenic Cc1sc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1353800 KESGAZGIYKEWSG-UHFFFAOYSA-N 437.609 5.717 0 40 IKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccccc4C(F)(F)F)cc3n2)cc1 1517072 LPUFARNINJWHAM-UHFFFAOYSA-N 440.425 5.375 0 40 IKAB O=P(Nc1cccc(C(F)(F)F)c1)(Oc1ccccc1F)Oc1ccccc1F 1851899 UHUUBIGJHBHPCO-UHFFFAOYSA-N 429.281 6.662 0 40 IKAB CC/C(=C(\CC)c1ccc(OC(=O)C(C)(C)C)cc1)c1ccc(OC(=O)C(C)(C)C)cc1 1868495 OUMSBFSNFMXYEA-VHXPQNKSSA-N 436.592 7.320 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3o2)cc1 2056727 DGWYCVADRUEHHE-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB CCCCCN(CCCCC)C(=O)c1c(C)c(-c2ccc(Cl)cc2)nc2ccccc12 2083002 RVUINJNVSHOVIZ-UHFFFAOYSA-N 437.027 7.686 0 40 IKAB CC(C)[C@H]1Cc2c(sc3nc(-c4ccccc4)nc(SCc4ccccc4)c23)CO1 2215074 KGZMXOXGGBEULS-HXUWFJFHSA-N 432.614 6.748 0 40 IKAB O=C(CCn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1ccc(Cl)cc1 2260322 UNUYGHPCBYCCNB-UHFFFAOYSA-N 438.314 5.399 0 40 IKAB COc1cc2c(cc1NC(=O)COc1ccc(C3CCCCC3)cc1)oc1ccccc12 2339784 QWOJDHFIEVIENS-UHFFFAOYSA-N 429.516 6.660 0 40 IKAB CCCNC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2 2434030 GEXFVDMSFPBNRH-UHFFFAOYSA-N 449.957 6.343 0 40 IKAB CC(=O)N(CC[C@H](c1ccc(F)cc1)c1ccc(OC(C)C)cc1)Cc1ccc(F)cc1 2446407 RJMKQCYASVJMSQ-HHHXNRCGSA-N 437.530 6.323 0 40 IKAB Cc1nn(C)cc1-c1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)c2ccccc2n1 2805349 JVPNIIUQLGOZEW-UHFFFAOYSA-N 442.853 5.451 0 40 IKAB COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cc(C)ccc4C)cc3N2)cc1 3011653 LICYRNCXPDLYAF-QUCCMNQESA-N 444.457 5.421 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1ccc(Br)cc1 3232735 LXQHBGLKLYEUSV-UHFFFAOYSA-N 440.362 6.185 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(N2CCCCC2)cc1 3303918 NNYZTFCASCOEEJ-UHFFFAOYSA-N 444.560 5.366 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)NC(c1ccccc1)c1ccccc1 3340426 DIVDOEILWFGFTL-UHFFFAOYSA-N 431.586 5.178 0 40 IKAB Fc1ccccc1Nc1nnc(SCCOc2cccc(Br)c2)s1 3348185 KZVJMECCFOEEGI-UHFFFAOYSA-N 426.336 5.354 0 40 IKAB O=C(O)/C(=C\c1ccc(C(F)(F)F)cc1)Sc1nnc(-c2ccccc2Cl)o1 3378097 QUSCAJLJNNEVQN-NTEUORMPSA-N 426.803 5.627 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccccc1Cl 4109825 JLNVQLFWEYSGHP-UHFFFAOYSA-N 427.879 5.086 0 40 IKAB CCCN1CCC2(CC1)Oc1c(OC)cccc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 5093847 DUIQVZMYHHJIOJ-NRFANRHFSA-N 425.960 5.094 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OC(=O)c4ccccc4F)c3)C(=O)O2)cc1 6212656 MYEAGBJKUXHHSK-KQWNVCNZSA-N 443.474 5.687 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2Cl)N(c2ccc(C(=O)O)cc2)C3=O)cc1 8595567 GEXWOAADCSXIHV-QHCPKHFHSA-N 443.890 5.487 0 40 IKAB COc1ccc(-c2cc(OC(=O)c3ccc(F)cc3)c3c(C)oc(C)c3c(=O)c2)cc1OC 8612822 SWDXIFINLMFRDS-UHFFFAOYSA-N 448.446 5.452 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)nc3ccccc32)cc1 8755903 PSYFXFXMXXMPNM-IBGZPJMESA-N 445.950 5.598 0 40 IKAB Cc1cccc(N(N=O)C2(c3nnnn3-c3ccccc3C)CCC(C(C)(C)C)CC2)c1 8926077 FMQHJNZJLAGKJQ-UHFFFAOYSA-N 432.572 5.899 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 9313603 CDBSTZLXUKKQCY-QHCPKHFHSA-N 444.604 5.785 0 40 IKAB CC(C)CNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 9395140 COXROVKFVYVYNU-UHFFFAOYSA-N 441.428 5.621 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(CC)cc2)nc2c(oc3ccccc32)c1=O 9749535 GNGAWKYYSTVKHV-UHFFFAOYSA-N 435.549 5.236 0 40 IKAB Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(Br)cc3)c(Cl)c12 10220414 CYBITZPTYWIZRC-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB COc1ccc(-c2coc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)cc1OC 11866298 DRLPQEYKIAGSHI-UHFFFAOYSA-N 440.854 5.849 0 40 IKAB biogenic CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 12195832 MYZOPMPZJVTFQF-ISKFKSNPSA-N 439.342 6.634 0 40 IKAB COc1cccc(CN2CCC(Cc3ccccc3-c3ccc(C)cc3C)(C(=O)O)CC2)c1 12234813 XWQYRSOBVPRZBF-UHFFFAOYSA-N 443.587 5.889 0 40 IKAB O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1cccc2ccccc12 12635275 BCYBYMGWCDDIBI-UHFFFAOYSA-N 426.585 6.852 0 40 IKAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)C[C@H](C(C)(C)C)C2 12660121 MYYCJYUYCBBNOW-NOCRFKNCSA-N 448.588 5.348 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3cc2OCc2c(C)noc2C)cc1OC 12782815 JWRNBVZNZWRWOV-UHFFFAOYSA-N 432.476 5.293 0 40 IKAB Cc1ccccc1C1=NCC(=O)N(CC(=O)Nc2c(C)cccc2C)c2sc(C)c(C)c21 12833946 QQQGVIVYONIMHD-UHFFFAOYSA-N 445.588 5.113 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@@](C)(c4ccc(Cl)cc4Cl)C3=O)co2)c(C)c1 12921875 INABVXBEONHIKB-QFIPXVFZSA-N 444.318 5.232 0 40 IKAB Cc1ccc(CN(C)[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)cc1 13040514 SENXMCFHFNFWKD-QFIPXVFZSA-N 446.900 6.479 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 13068498 CUPBMNZNNMVNIS-UHFFFAOYSA-N 444.556 6.056 0 40 IKAB O=C([C@@H]1CC(=O)N(C2CCCC2)C1)N(c1ccccc1)c1nc(-c2ccc(F)cc2)cs1 13114288 UJLGMCDKMDKHLX-GOSISDBHSA-N 449.551 5.405 0 40 IKAB COC(=O)c1ccc(/C=C/C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)cc1 13117261 ZSFLDIIQRNDIQR-NTEUORMPSA-N 430.485 5.527 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3c(-c4ccc(Cl)cc4)nsc23)c(C)c1 13512658 YHPZYEQUEGAUSV-UHFFFAOYSA-N 440.981 5.754 0 40 IKAB O=C(C[C@@H]1C(O)=Nc2nc(SCc3ccccc3)nn21)Nc1ccc(Cl)cc1Cl 13730131 LQJVPJGAGWXOPY-OAHLLOKOSA-N 448.335 5.049 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009295 GNGAFWNGMQIIFB-UHFFFAOYSA-N 446.594 5.752 0 40 IKAB O=C(CN[C@@H](c1ccccc1)c1cccs1)Nc1ccccc1C(=O)Nc1ccccc1 14142361 MPTXVOXIWWWTQZ-VWLOTQADSA-N 441.556 5.318 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1ccccc1-c1nc2ccccc2s1 14270449 AVIHECAQGDVESZ-SDNWHVSQSA-N 449.988 6.143 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)cc1 14270645 DLSPOJBHLRPKKS-UHFFFAOYSA-N 445.544 5.087 0 40 IKAB O=C(C1CCCC1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(F)c3F)CC[C@@H]21 19292751 ARDBDNZWUFBMSI-ONTIZHBOSA-N 430.564 5.033 0 40 IKAB Nc1c(Cl)cc([C@@H](O)CN[C@@H]2c3ccccc3CSc3ccccc32)cc1Cl 19801897 JQXZAVXODXQBDJ-SIKLNZKXSA-N 431.388 5.594 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140419 CCBOTPZCQQZXRG-UHFFFAOYSA-N 425.843 6.052 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 20239002 QRAGEYVSEUBNSH-UHFFFAOYSA-N 439.580 6.951 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N(CCn1cccn1)c1nc2c(F)cccc2s1 23144867 RCUVPNYNEOWUOE-UHFFFAOYSA-N 441.340 5.347 0 40 IKAB Cc1cc2occ(CC(=O)Nc3ccccc3NS(=O)(=O)c3cccs3)c2cc1C 23194812 LLICFHFLFLDBBJ-UHFFFAOYSA-N 440.546 5.093 0 40 IKAB C[C@]1(CCc2ccccc2)NC[C@@H](c2ccc(Cl)cc2Cl)c2c1[nH]c1ccccc21 25480332 BHMUOSZNNXHPOJ-HFZDXXHNSA-N 435.398 7.058 0 40 IKAB CCn1c(SCc2ccc(F)cc2)nnc(Nc2cc(Cl)cc(Cl)c2)c1=O 28536809 NFHZHQKSJLZLGZ-UHFFFAOYSA-N 425.316 5.140 0 40 IKAB COCCn1c(S[C@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc2cc(Cl)ccc21 29794695 FESVQMWHIVTQBE-CYBMUJFWSA-N 444.944 5.248 0 40 IKAB Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nc(-c2ccc(F)cc2)no1 31814487 CJTJHTLRTJEVMB-UHFFFAOYSA-N 449.294 5.867 0 40 IKAB Cc1nn(COc2ccc(Cl)cc2Cl)c(C)c1NC(=O)Nc1ccc(Cl)cc1 32610733 BZKZDFXPIMVTQW-UHFFFAOYSA-N 439.730 6.141 0 40 IKAB CCN(CC)Cc1nc(Sc2nc(-c3cccs3)n[nH]2)c2c(C)c(C)sc2n1 32855726 IWSOYRQKQXGUQQ-UHFFFAOYSA-N 430.628 5.148 0 40 IKAB COc1cc(CN(C)C(=O)Nc2ccccc2Cc2ccccc2)ccc1OC(F)F 40098857 JBCAOOILDIEKBF-UHFFFAOYSA-N 426.463 5.551 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3CCN(C(=O)C(C)(C)C)CC3)cc2)cc1 57316840 IRZRAYQNLUTZCU-OVCLIPMQSA-N 433.596 5.157 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317062 JFXJFESTFRHHIB-INIZCTEOSA-N 442.353 5.918 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)ccc1OCc1ccc(Cl)cc1Cl 59056488 DNJGDFCLAALEPL-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB CCOc1ccc(-c2noc(-c3nn(-c4ccc(C)c(C)c4)c(=O)c4ccccc34)n2)cc1 64950028 NPXGDBXHRCGYKD-UHFFFAOYSA-N 438.487 5.118 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)C(C)(C)c3cccc(F)c3)n2)sc1C 72375854 ZOJSZMRZEHCDQD-HXUWFJFHSA-N 438.572 5.679 0 40 IKAB O=C1[C@@H]2[C@@H]3C=C[C@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 100025891 BRIOINWOBOGTMV-DOOQXGAZSA-N 437.926 5.764 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)C1 102844296 HBTAJJAUVNDCJS-XHNVNVPESA-N 445.434 6.363 0 40 IKAB CCCCOC(=O)c1ccc(-c2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)o2)cc1 208686916 FPMPWENKCVFEKL-JWGURIENSA-N 447.512 6.144 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H](C)C(=O)NC1CCCC1 223790737 HQAGEMKVWOCMBD-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 223793704 JKMVKOYIWSMIJU-UHFFFAOYSA-N 449.422 5.524 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224077694 FFSMWJNQAHAYIK-GOSISDBHSA-N 433.017 5.012 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1 224677751 KOCSRUZWJSFBOV-ODHYRZOZSA-N 430.548 5.534 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)cc1 224917178 LPPQMWSLHHRNCF-HLILLCKBSA-N 430.548 5.232 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225246822 HKMYJOXSDLDQTL-JOCHJYFZSA-N 447.044 5.297 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225314624 XTTPGCQKWNXHRQ-HHHXNRCGSA-N 442.603 5.094 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl 225631188 NULKUVUCBQPOEI-CQSZACIVSA-N 441.786 5.131 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1 225899969 IFOJAYXWWFYYKY-UHFFFAOYSA-N 425.271 6.693 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cn4cc(Cl)ccc4n3)C2)n1 257278327 OBUZHOOCPVYDAR-GOSISDBHSA-N 448.929 5.517 0 40 IKAB O=C(CN1CCC[C@H]1Cc1c(C(=O)O)sc2ccccc12)Nc1cccc2ccccc12 257321200 WAOSIKXTRICSMO-SFHVURJKSA-N 444.556 5.398 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@H](C)C3)cc2)CCCCCC1 260812528 FJHKPZGHJRCJRD-QFIPXVFZSA-N 430.633 5.646 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccc(F)cc1 408561345 IBNYLOKFOYTBED-FLFQWRMESA-N 447.373 5.832 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)c1C 408697061 GURKCENNXXIIQF-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccc(F)cc2)cc1 408700024 YNHZRQNSYIHSQJ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB O=C(Nc1ccccc1F)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408704559 POUKWZYZEOSGPA-HSZRJFAPSA-N 440.927 5.506 0 40 IKAB Cc1cc(OCC(=O)N(C)Cc2nnc(-c3ccc(C(C)(C)C)cc3)o2)cc(C)c1Cl 408713867 BJLBOFVNLNXEKO-UHFFFAOYSA-N 441.959 5.342 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408972053 PAIZBDOWBKKVCV-UHFFFAOYSA-N 448.758 7.906 0 40 IKAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O 409018712 YOFCUQNJCCLTDN-XBTXGSBDSA-N 440.304 5.241 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063185 IHDBLTLDNMWWEB-UHFFFAOYSA-N 432.951 5.806 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409115616 KEUHGIIIAVRUNC-IFYYMMSRSA-N 428.963 6.889 0 40 IKAB COc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409117236 QQABWFBZDHCOCA-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccccc1Cl 409376553 ZGRUVEYMLZRHIY-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@@H](c1csc2ccccc12)N(C)C 575622499 ZGVRXYVCDSVRIN-IBGZPJMESA-N 439.968 5.551 0 40 IKAB CCCN1CCCCN(C(=O)c2ccc(C)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643550944 LIOSQNMZRGEHFA-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB CCc1c(C(=O)N2CCCCCCN(Cc3ccccc3)CCC2)[nH]c2ccc(C)cc12 643562246 OCGDHUPMWWWSCU-UHFFFAOYSA-N 431.624 5.947 0 40 IKAB Cc1ccccc1OCC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643576100 PALXKMDNMLZPIM-UHFFFAOYSA-N 446.547 5.543 0 40 IKAB COc1cc(Br)c(Nc2nc(-c3ccccn3)cs2)c(Br)c1 853335 PFFCWDVSSSNDQV-UHFFFAOYSA-N 441.148 5.482 0 40 IKAB COc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)cc1 900899 XTYIBOBFVYBSTO-ZDUSSCGKSA-N 433.455 5.290 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)c(C)c1 1268573 SCSFWYQQNMHJQE-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2c2ccccc2C)cc1 1435850 VXVCAXJSVUXFOO-JOCHJYFZSA-N 433.891 5.440 0 40 IKAB COc1ccccc1-c1coc2cc(OC(=O)c3ccc(C(C)(C)C)cc3)ccc2c1=O 1780165 RGVKWYFYGDFHIE-UHFFFAOYSA-N 428.484 5.985 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3cccc(Cl)c3Cl)nc2c1 2052153 LXRZEXDGTMPQKM-UHFFFAOYSA-N 436.364 6.195 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3)c1ccccc1 2054309 KOEZIVQSTXOZAM-UHFFFAOYSA-N 432.570 5.301 0 40 IKAB COc1ccc(-c2nc(C(=O)NCc3ccccc3Cl)cc3c2[nH]c2ccccc23)cc1 2129092 OIDZUEXGMDVMOS-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic CCCCCOc1ccc(NC(=O)Cn2nc3c4c(cccc42)C(=O)c2ccccc2-3)cc1 2170506 NKERBBWHZDILCU-UHFFFAOYSA-N 439.515 5.455 0 40 IKAB COc1ccc2c(-c3cc4ccc(OCc5ccccc5F)cc4oc3=O)cc(=O)oc2c1 2346975 SYPZAJRWSFBANN-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1)c1cc(Cl)ccc1Cl 2358795 SWXHXEIWGGWGIK-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB Cc1ccc(-c2nc3cc(Cc4ccc5oc(-c6ccc(C)cc6)nc5c4)ccc3o2)cc1 2363633 YMKAEZXYEUFDSH-UHFFFAOYSA-N 430.507 7.511 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)cc1 2399961 YRHGQWHOGNYDPR-PGRDOPGGSA-N 437.923 5.294 0 40 IKAB O=S(=O)(Cc1ccc(Cl)cc1)c1cn(Cc2ccccc2Cl)c2ccccc12 2722312 RMTQOTNOKJODCI-UHFFFAOYSA-N 430.356 5.970 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc4c(c3)OCO4)nc3ccccc23)cc1 2767391 YEXZBNZTVFUNFK-UHFFFAOYSA-N 439.515 5.729 0 40 IKAB FC(F)(F)c1cccc(-c2nnc(C34C[C@@H]5C[C@H](C3)CC(n3cnc(Cl)n3)(C5)C4)o2)c1 2803574 KXTSFVVLADRLES-BRRVFRNMSA-N 449.864 5.247 0 40 IKAB CCOc1ccc2c(c1)S[C@H](c1ccc(N(C)C)cc1)C=C(c1ccc(OC)cc1)N2 3846941 GVSVDYLFQFMYIB-VWLOTQADSA-N 432.589 6.460 0 40 IKAB biogenic C[C@@H]1CCc2c(sc3[nH]c(=S)n(-c4ccc(Cl)c(C(F)(F)F)c4)c(=O)c23)C1 6016752 LJPYWLWMNLKAKI-MRVPVSSYSA-N 430.904 5.907 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)Nc3c(C(=O)c4ccccc4)oc4ccccc34)oc2c1C 8612419 SDCBJBLFQSYYDM-UHFFFAOYSA-N 437.451 5.639 0 40 IKAB CC(=O)N1CCN(c2ccc(Oc3ncnc4sc(-c5ccccc5)c(C)c34)cc2)CC1 8706764 BDTXOJUAFLMWMO-UHFFFAOYSA-N 444.560 5.128 0 40 IKAB Cc1ccc(C(=O)Nc2c(Cl)cc(Cl)cc2-c2nc3ccccc3s2)c(Cl)c1 8831829 YHSVNTXSGHZWDI-UHFFFAOYSA-N 447.774 7.484 0 40 IKAB O=C(/C=C/c1nc2ccccc2s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 8878594 AWIUVZVPAVWLOR-VAWYXSNFSA-N 436.924 5.204 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1coc2ccc(OC)cc12 8915617 QNOMYIOSHUOZRQ-UHFFFAOYSA-N 435.501 5.528 0 40 IKAB COc1ccc([C@]2(C(=O)Nc3c(C)cccc3C)CC(=O)N2c2ccc(Cl)cc2)cc1 9130015 DGGUOCYJMZUZRW-VWLOTQADSA-N 434.923 5.236 0 40 IKAB Cc1ccc(C(=O)CSc2nnc(SCC(=O)c3ccc(Cl)cc3)s2)cc1 9136178 DMCFAEMZJPIVGI-UHFFFAOYSA-N 434.995 5.450 0 40 IKAB Cc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2ccc(Br)cc2)C4)cc1 9153852 JWXRYNHDXZZADG-UHFFFAOYSA-N 448.316 5.887 0 40 IKAB Cc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 9242807 OWQLACCSFFJTCY-QFIPXVFZSA-N 430.891 5.204 0 40 IKAB COc1ccc(-c2nc3c(c(SCC(=O)Nc4ccc(C)cc4)n2)COC(C)(C)C3)cc1 9449275 YKBDKVSLZAOSHW-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB O=C(NC1CC1)[C@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)c1ccccc1 9614228 POHPAQZSWLGPTH-HSZRJFAPSA-N 429.520 5.548 0 40 IKAB O=C(Nc1nc2c(s1)Cc1ccccc1-2)c1ccc(-c2nc3ccccc3s2)s1 9640058 CVULDXNAUHWTRY-UHFFFAOYSA-N 431.567 6.305 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(C(=O)Nc3ccccc3)cc2)o1 9884638 VXZUIHCNHUAGPP-MRXNPFEDSA-N 449.507 5.893 0 40 IKAB Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)sc2cc1C 10526503 UQWFJQOSSLSJSF-LBPRGKRZSA-N 441.405 6.107 0 40 IKAB CCc1ccc(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 12140478 WIONJHOHTIKPHJ-UHFFFAOYSA-N 428.355 5.199 0 40 IKAB CC[C@@H](CCNC(=O)c1ccc(Cl)c(Cl)c1)NC(=O)c1ccc(Cl)c(Cl)c1 12637699 ZVTYDIUMWWARGO-ZDUSSCGKSA-N 448.177 5.629 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)c3ccc(C(C)(C)C)cc3)C3CCCC3)cc2c1 12645073 PQLHARVOJVCQSL-UHFFFAOYSA-N 446.591 5.809 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1C 12777664 SNODRRZDEFAUBG-LJQANCHMSA-N 428.561 5.369 0 40 IKAB COc1cc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)c(OC)cc1Cl 12809178 GNDKKGAROJMCEL-UHFFFAOYSA-N 441.846 5.260 0 40 IKAB CCc1nc(SCC(=O)N(C2CCCCC2)C2CCCCC2)c2c(C)c(C)sc2n1 13027900 TZHYQXKOZXJUJK-UHFFFAOYSA-N 445.698 6.457 0 40 IKAB COc1cc(/C=C(\Cl)C(=O)Nc2ccccc2C(=O)O)ccc1OCc1ccccc1 13488970 ASGHMJIIXMTOGM-UYRXBGFRSA-N 437.879 5.191 0 40 IKAB C[C@H](C(=O)NCc1noc(-c2ccccc2)n1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 13682116 UUBNEQLQBUIWAY-AWEZNQCLSA-N 430.895 5.444 0 40 IKAB COc1ccc([C@H]2[C@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 13778094 KYVWHOUGNSMFTK-FQLPYIGMSA-N 444.575 5.155 0 40 IKAB CCOc1cc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccc(C)cc3)c2)ccc1O 13811647 BOKCOYDTBQMIIU-BYNJWEBRSA-N 443.543 6.760 0 40 IKAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 14400380 MOTKHONIWVOOSC-KRWDZBQOSA-N 434.502 5.119 0 40 IKAB CCn1c(Cc2ccccc2)nnc1Sc1c(-c2ccccc2)c2ccccc2[nH]c1=O 15009447 SDJODGIVYXHVNR-UHFFFAOYSA-N 438.556 5.549 0 40 IKAB CCOc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(C)cc2)cc1 16788848 MLNYBBHOVUEVPK-JXMROGBWSA-N 427.573 6.447 0 40 IKAB CN(c1ccc(F)cc1)S(=O)(=O)c1ccsc1-c1nc(-c2ccc(Cl)cc2)no1 16846582 PXGJNAIVKISGQE-UHFFFAOYSA-N 449.916 5.083 0 40 IKAB O=C(N/C(=C/c1cc(Cl)ccc1Cl)c1nc2ccc(Cl)cc2[nH]1)c1ccccc1 16953087 LHWCSOURZKUQKJ-RGVLZGJSSA-N 442.733 6.451 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(F)(F)F)cc2Cl)cc1 17097216 WBAKLRHQOHFRAE-UHFFFAOYSA-N 430.879 5.665 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)NC(=S)NCc1ccccc1 17097421 QDKWUAZFGGMRGE-VQHVLOKHSA-N 431.344 5.458 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl 17098258 IEGSAXQYZHSOOI-JLHYYAGUSA-N 432.936 5.410 0 40 IKAB CC(C)Oc1ccc(CNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 20042298 VWQSQUOLWLWZFO-UHFFFAOYSA-N 425.981 6.350 0 40 IKAB CSc1cc(-c2ccc(Cl)cc2)c(C(=O)N2CCN(Cc3ccccc3)CC2)s1 20218995 BOBZIJHVJQXOAI-UHFFFAOYSA-N 443.037 5.748 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 20457983 WYNAYOGITSJCOW-SFHVURJKSA-N 432.800 5.854 0 40 IKAB CC[C@@H](NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 20490843 QNULUQVOXYZWDG-SHQCIBLASA-N 444.600 5.384 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4cccc5c(Cl)cccc45)ccc3o2)c1 21579241 LGAAMEHUUGOJQW-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCN(C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12)c1nc2ccccc2s1 23042124 VIAIUTZLOQJWHA-UHFFFAOYSA-N 440.524 6.045 0 40 IKAB CC/C=C/C(=O)OC[C@@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 26897352 NYEZVINCEJVQNO-OTVSBJOASA-N 443.587 5.170 0 40 IKAB CCCOc1ccc([C@@H]2c3c(-c4ccccc4)nn(C)c3C(=O)N2Cc2ccco2)cc1 32593611 HIYWAXIMPIINCY-XMMPIXPASA-N 427.504 5.214 0 40 IKAB COc1cccc(Cn2nc(C)c(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)c2C)c1 32610106 GMHAOYSGFHWDBR-OAHLLOKOSA-N 448.350 5.270 0 40 IKAB CCc1ccc(NC(=O)c2cc(Br)c(OC)c(OCc3ccccc3)c2)cc1 33600905 FVMWGYQSSZRHAZ-UHFFFAOYSA-N 440.337 5.851 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(Cl)cc2Cl)cc1OCc1ccccc1 34889121 ZIQCPLWOKGQDHJ-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](CC(C)C)NC(=O)c3ccccc3Cl)n2C)cc1 35074231 LSLAYISNHXOWSC-HXUWFJFHSA-N 443.016 5.586 0 40 IKAB COc1cc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2C(=O)/C=C/c2ccc(C(C)C)cc2)ccc1O 36614594 HORBLPIYENOYJM-ZQAXFKLCSA-N 449.591 5.432 0 40 IKAB O=C(c1ccsc1)N1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1 38542701 RHDCRRTZOXITOT-UHFFFAOYSA-N 431.561 5.229 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1SCc1ccsc1 40009614 BDOXLUYSIZSBLL-QFIPXVFZSA-N 434.586 5.943 0 40 IKAB CCOC(=O)N1CCC(C(=O)N(Cc2cccc(F)c2)[C@H](CC)c2ccc(F)cc2)CC1 40146393 XGJHTOVAUQVABK-HSZRJFAPSA-N 444.522 5.313 0 40 IKAB Cc1nc(COc2cccc(C(=O)N(C3=NC[C@@H](C)S3)C3CCCCC3)c2)cs1 48263586 IFONPIXBIPCKPP-OAHLLOKOSA-N 429.611 5.297 0 40 IKAB Cc1cccc(NC(=O)c2nc(Cl)c(Cl)c(Cl)c2Cl)c1C(=O)N1CCCC1 58371002 UYOSZEYBKVTAKB-UHFFFAOYSA-N 447.149 5.492 0 40 IKAB O=C1OC(c2ccccc2F)=N/C1=C\c1ccc(OCc2c(Cl)cccc2Cl)cc1 59194853 FIQUREFKKZHNPI-MTJSOVHGSA-N 442.273 6.056 0 40 IKAB Cc1cc(C)c2c(N)c(-c3nnc(SCC(=O)c4ccc(Cl)cc4)o3)sc2n1 68712463 UNUZAPFCAZETHJ-UHFFFAOYSA-N 430.942 5.174 0 40 IKAB c1cnn(CCN(Cc2csc(C3CCCC3)n2)Cc2csc(C3CCCC3)n2)c1 70037160 IHXODZRTOPVOFE-UHFFFAOYSA-N 441.670 5.814 0 40 IKAB Cn1cc(CCC(=O)NCc2ccc([C@@H]3CCCN3C3CCCCC3)nc2)c2ccccc21 72355724 FSLNXRHNMZLQBR-MHZLTWQESA-N 444.623 5.292 0 40 IKAB CCCN(CC(=O)Nc1cc(Cl)ccc1Cl)C(=O)c1cc(-c2ccccc2)ns1 78899745 YBCIJIGVRBMHCY-UHFFFAOYSA-N 448.375 5.608 0 40 IKAB Cc1ccc(C(=O)CSc2nc(C)cc(C)c2-c2nc(-c3ccccc3)cs2)cc1 95117480 RVJNFJUEWMQPRI-UHFFFAOYSA-N 430.598 6.772 0 40 IKAB Cn1ccnc1-c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2Cl)nc1-c1ccccc1 95348750 KYWKDHYMOHUUFW-DLBZAZTESA-N 434.952 5.606 0 40 IKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1cc(F)cc(F)c1)n2-c1ncccn1 96062683 NGDCLLFSYXHAMI-UHFFFAOYSA-N 445.473 5.164 0 40 IKAB COC1CCN(c2ccc(NC(=O)CCc3cccc(OCc4ccccc4)c3)cc2)CC1 96122388 LQCSHEXDPJUYAD-UHFFFAOYSA-N 444.575 5.452 0 40 IKAB CCN(Cc1nc(-c2cccs2)no1)C(=O)CSCc1ccc(Cl)cc1Cl 96265421 HTFBRXOUCGFNHR-UHFFFAOYSA-N 442.393 5.387 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3cccnc3C)CC2)on1 100743888 NCNNLTHKDBSWKD-KDURUIRLSA-N 447.583 5.145 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 105692104 MWHQGYKRJHROFV-AVHWCYKHSA-N 445.563 5.447 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OCC(C)C 106683313 NBRVPEYSZKCSNJ-JAIQZWGSSA-N 431.941 5.620 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3ccc(F)cc3)C2=O)ccc1O[C@H](C)CC 214241997 WVJRNWJLUAEQBG-NWGMWSOJSA-N 429.513 5.638 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)c2ccccc21 214826263 MBTMHACZMNTNOW-KEBDBYFISA-N 445.371 6.766 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc(C(C)C)cc2Br)c1 218872443 ATDZSNFSSRMLQX-UHFFFAOYSA-N 440.721 5.030 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Br)cc1Cl)CC(C)(C)O2 218946962 CAEKKWIQALIHDV-INIZCTEOSA-N 438.749 5.208 0 40 IKAB COc1ccc2c(c1)[C@@H](NC(=O)CCCN1C(=O)c3cccc4cccc1c34)CC(C)(C)O2 219472902 GPTMNHYIVGHDGZ-NRFANRHFSA-N 444.531 5.007 0 40 IKAB C[C@@H](NC(=O)c1ccc(OCCSc2ccccc2)cc1)c1ccc2c(c1)CCCC2 222965650 DPGFOASYJBOQFA-HXUWFJFHSA-N 431.601 6.228 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1nnc(SCc2ccccc2)s1 223094692 KKENIXZSCMBRQO-OAHLLOKOSA-N 425.579 5.115 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 223779772 YOTPJFRIBXHCFV-BJKOFHAPSA-N 432.593 5.574 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCC2)cc1 223891224 GWESBEIUYWOLMK-ZEQRLZLVSA-N 431.609 5.241 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCC2)cc1 223969185 CJRWIXROZDVVFO-DNQXCXABSA-N 445.592 5.134 0 40 IKAB Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 224019137 JMRNGVMHDKGRIN-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)cc1C 224265016 RCCQDLYJYPMOFG-UIOOFZCWSA-N 444.648 6.409 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(OC)c1 224594455 QKISJRBKXCHHNH-KRWDZBQOSA-N 439.939 5.817 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1)c1ccc(C)cc1C 224682797 YQQRNZCILDKRLW-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)c(OC)c1 224872418 DJZMSSZZCHCGAA-UHFFFAOYSA-N 444.487 5.722 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224881771 BONDZHWHQRPHBP-INIZCTEOSA-N 427.342 5.174 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1 224920710 LCTWEQFIRJRKPG-UHFFFAOYSA-N 441.487 5.618 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Cl)s2)N1CCCNc1ccccc1 225034214 DFPLHEBKAWVOFG-UXHICEINSA-N 429.014 5.271 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225259024 KDPWNMGZTOTXNI-UHFFFAOYSA-N 439.902 6.928 0 40 IKAB COc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1Cl 225364479 JIKXJJMQQNVTSH-UHFFFAOYSA-N 435.829 5.875 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225527972 XFBIKGKSBKRPQX-OFNKIYASSA-N 426.626 5.118 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)N[C@H](C)CC)cc1 225635506 DVOZRPBUQBNMPX-NTKDMRAZSA-N 443.031 5.557 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225695494 PQJBUOQWUYHOHL-JTSKRJEESA-N 449.422 5.566 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225697621 ZDRSZKSENWGWND-LJQANCHMSA-N 447.044 5.197 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 225814701 KNGQJOLCHFCRII-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(Br)c1 227157514 ANHIURCMVUFDCY-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CC(=O)N[C@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(C(=O)O)ccc2OCC(C)C)C1 257236944 HEMIOJWEEJJMBJ-JBRSBNLGSA-N 443.515 5.046 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 257267917 MJKOSJLSSXQURT-LJQANCHMSA-N 431.923 5.487 0 40 IKAB S=C(NCc1ccc(Cl)cc1)c1cccc(OCc2c(Cl)cccc2Cl)c1 408571509 BLCYZHWVRSZSBQ-UHFFFAOYSA-N 436.791 6.691 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccccc1Cl 408573195 IYQADKQBTIKOPL-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)cc2C)c1 408699136 VDQQPKJSALWWQA-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB Cc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c(C)c1 409121286 YYEKLZWKIUGIGY-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409229965 AILSKJXKKBYZMV-CXUHLZMHSA-N 425.699 5.138 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CC(=O)c3ccc(Cl)cc3)C2=O)c2ccccc12 409340996 BQEODQQBZHWYRX-CIAFOILYSA-N 437.904 5.421 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(Cl)cc1 409378763 RJCLRPKDTZZGLE-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CN([C@H]1CCSc2ccc(Br)cc21)S(=O)(=O)c1ccc(Cl)s1 507551571 ODXHXSOMDHMUBE-NSHDSACASA-N 438.821 5.022 0 40 IKAB CC(C)CC(=O)N1CCC2(CCCCc3ccccc3OCCN(CC(C)C)C2)CC1 643589526 ZFWITRGMWSJQKZ-UHFFFAOYSA-N 428.661 5.405 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)NCc3ccccc3)sc2c1 705350 SIUUYCCJGSHQET-UHFFFAOYSA-N 447.585 5.266 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)Nc1cc(C(F)(F)F)ccc1Cl 706855 YQQCJIYZIXQZGV-UHFFFAOYSA-N 443.903 5.583 0 40 IKAB Cc1sc(NC(=O)C2CCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 1354687 WTQVLAFXZYITKR-UHFFFAOYSA-N 449.551 5.589 0 40 IKAB Cc1nn(C(=O)c2cc3c(s2)CCCC3)c(-c2ccccc2)c1Sc1ccccc1 1802779 XXQXSYHWROCESG-UHFFFAOYSA-N 430.598 6.639 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cc(C)cc(C)c4)c3)nc2c1 1846355 FGTUSQYCKGJNPY-QGZVFWFLSA-N 432.951 7.531 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c(OCc3cc4c(cc3Cl)OCO4)ccc12 1902819 KWNKLVJPHAECOW-UHFFFAOYSA-N 448.902 5.962 0 40 IKAB C[C@@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 2714796 OOYFYQMWQFXQDH-NQIIRXRSSA-N 428.555 6.853 0 40 IKAB Cc1ccc(/C=C/C(=O)NC[C@]2(C)C[C@@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 2752650 FKJSNQKYYVGFEG-FIUKJUABSA-N 438.568 5.033 0 40 IKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2cc(Cl)cc(Cl)c2)s1 2887674 CHNOXKOYORPRHE-UHFFFAOYSA-N 442.371 6.245 0 40 IKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 2887737 LXZGXYQLEUHZOZ-UHFFFAOYSA-N 441.478 5.957 0 40 IKAB CCOC(=O)C1=CN(c2cc(C)cc(C)c2)C=C(C(=O)OCC)C1c1ccc(C)s1 2910659 XMYCOAUOVURBMW-UHFFFAOYSA-N 425.550 5.171 0 40 IKAB COc1ccccc1NC(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3290580 WSMYTJATEZBSPB-UHFFFAOYSA-N 429.394 5.177 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3nn(-c4ccccc4)c(=O)c4ccccc34)cc2)c1 3339612 WZMZPWSOLYIDAI-UHFFFAOYSA-N 447.494 5.739 0 40 IKAB CCn1c(SCc2ccc(Br)cc2F)nnc1-c1ccc(C(C)(C)C)cc1 3355579 YLEHVWFLVHDILP-UHFFFAOYSA-N 448.405 6.456 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)O[C@H]1[C@H]2CC[C@]2(C)[C@H]([C@H](C)CCCC(C)C)CC[C@@H]12 5104370 RWMSDNFAXBDHCY-HABHYSPOSA-N 446.672 6.555 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1C 6280402 LJVINHWHVWZYGM-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Ic1ccsc1/C=C\c1sccc1I 8431216 YNEGNZGVFGURBW-UPHRSURJSA-N 444.100 5.189 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C34CC5CC(CC(C5)C3)C4)c2C(=O)OC)C1 8444185 PIPQTRVWCWFLRU-BSRLHWHNSA-N 443.653 6.231 0 40 IKAB Cc1ccc(OCC(=O)Nc2ccc3c(c2)oc2ccccc23)c(-n2nc3ccccc3n2)c1 8721753 YGMIUSDUISBNOZ-UHFFFAOYSA-N 448.482 5.646 0 40 IKAB c1ccc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@@H]3CCCO3)cs2)cc1 8748186 STSPHGCAWUTPAA-KRWDZBQOSA-N 440.619 5.601 0 40 IKAB CC(C)c1ccc(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)cc1 8757195 NMAMFDPHJVTWQE-UHFFFAOYSA-N 431.923 5.479 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1 8831176 FKLODAPVUKPJBC-UHFFFAOYSA-N 443.572 6.555 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)cc1 8871449 BFUQRXUTTPLAQA-QGZVFWFLSA-N 433.914 5.706 0 40 IKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3ccc(Cl)cc3)CC4=O)nc(C)c2c1 9346048 FDNRPWJYAYXGRV-KRWDZBQOSA-N 443.938 5.600 0 40 IKAB COc1cc(/C=C(/C(=O)NCc2ccccc2)c2nc3ccccc3[nH]2)ccc1OC(F)F 9378202 MLWANGAYQREXMS-QGOAFFKASA-N 449.457 5.030 0 40 IKAB CC[C@H]1CCc2sc(-c3nnc(SCc4nnc(-c5ccccc5)o4)n3C)cc2C1 9385042 SCLCDXCDDDITGM-AWEZNQCLSA-N 437.594 5.401 0 40 IKAB Cc1ccccc1-c1nsc(SCC(=O)Nc2ccc(OC(F)(F)F)cc2)n1 9404024 SXOAONMPPSFCBX-UHFFFAOYSA-N 425.457 5.143 0 40 IKAB CC[C@@H](Sc1ccc(C)cc1)C(=O)Nc1nnc(-c2cc(OC)ccc2OC)s1 9404368 QSBGIMSQTOHOFP-GOSISDBHSA-N 429.567 5.040 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cc(C)ccc2C)CC1=O 9408860 BCOIODGEMVURSC-JOCHJYFZSA-N 439.559 5.621 0 40 IKAB Cc1ccc(OCc2nnc(SCc3cccc(Cl)c3)n2Cc2ccco2)cc1 9497281 VJFBEEVZCZNQKW-UHFFFAOYSA-N 425.941 5.753 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 9613929 BDHVAQOUIFCQBO-GOSISDBHSA-N 446.620 5.052 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)CSc3nc(-c4cccs4)n[nH]3)n2)c1 9669977 VNRAVLKRRSPCLO-UHFFFAOYSA-N 427.580 5.004 0 40 IKAB CC(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 9892191 PVUMBEJDGKGWKM-UHFFFAOYSA-N 435.955 5.050 0 40 IKAB CCC[C@@H](NCc1cn(Cc2ccc(Cl)cc2Cl)c2ccccc12)c1ccccc1 10315456 FCSJJEJGTDIWSH-RUZDIDTESA-N 437.414 7.627 0 40 IKAB CCCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1OC 12192889 QCAJQTVUTNCVIG-RBJSKKJNSA-N 442.559 6.507 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 12276392 UAOXAWRIMBAAGP-UHFFFAOYSA-N 447.604 5.861 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(S[C@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)nc2c1 12533424 DSJLZSYNJKFYHR-IXFSTUDKSA-N 434.605 6.086 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)N2CCCc3ccccc32)c(OC)c1 13075810 APNDVGXEQDQEDI-UHFFFAOYSA-N 439.515 5.150 0 40 IKAB Cc1ccccc1N[P@]1(=O)C2=C(N3CCCCC3)CC(C)(C)CC2=NN1c1ccccc1 13302902 INFZMVLEMWUBQA-JGCGQSQUSA-N 448.551 6.994 0 40 IKAB CC(C)(C)NC(=O)CSc1nc(COc2ccccc2)nc2sc3c(c12)CCCC3 13502665 VXVATOIEIDFNDM-UHFFFAOYSA-N 441.622 5.156 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2cccc(Br)c2)n2c(nc3ccccc32)N1 13634978 MZEGIOFRXYPYDU-FQEVSTJZSA-N 440.341 5.431 0 40 IKAB O=C(Oc1cccc2ccccc12)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Oc1cccc2ccccc12 14920903 XPWPZXGCDIIACE-BKJLSBSTSA-N 434.491 5.942 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1 15225610 UEOVJUPZHLIFPH-UHFFFAOYSA-N 429.545 5.240 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 15913229 DDGHYMFHUFOBKA-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB Fc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)c1 16757817 PXJUPBWTXONTLB-UHFFFAOYSA-N 445.950 7.172 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccn(Cc3ccc(Cl)cc3)n2)ccc1OC(C)C 17094634 BHVLDYGZTTYUIU-YRNVUSSQSA-N 425.916 5.033 0 40 IKAB COc1c(C)cccc1CN1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 19235929 YMIGXUQRSPBLFJ-SANMLTNESA-N 435.612 5.048 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc3c(Br)cccc23)cc1 19646909 LOELDACDXLVZLR-UHFFFAOYSA-N 448.364 5.796 0 40 IKAB Cc1nc([C@]2(O)CCCN(Cc3cccc(F)c3)CC2)sc1CCOc1ccccc1 19738688 CNIMHYJTYMKPTF-VWLOTQADSA-N 440.584 5.086 0 40 IKAB Cc1cc(Cl)ccc1OCc1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 19929313 WLRAAJPPARCQJB-UHFFFAOYSA-N 449.319 5.606 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20456600 DLGLDTJESFYJHR-HXUWFJFHSA-N 428.315 6.021 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccccc1Br 22072630 NAIRFUPCGCYVJX-UHFFFAOYSA-N 447.130 5.603 0 40 IKAB O=C(CCCc1nc2ccccc2o1)NCc1ccc(CN2CCc3ccccc32)cc1 32246488 DXLMYDAUTZYHDL-UHFFFAOYSA-N 425.532 5.030 0 40 IKAB CC(C)c1c(C(=O)Nc2ccc(F)cc2Cl)cnn1-c1ccc(C(F)(F)F)cn1 32815137 AWJVELMHNFCUCK-UHFFFAOYSA-N 426.801 5.454 0 40 IKAB COc1cc(OC)cc(-c2nnc(S[C@H](C)c3nc4ccccc4n3C(F)F)o2)c1 32879041 USDDYXBZYIFPIK-LLVKDONJSA-N 432.452 5.352 0 40 IKAB CC(C)COc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCCC2)c1 33863386 LWNIIOPXGUGHNK-UHFFFAOYSA-N 446.016 5.492 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)c3cccc(F)c3)c(Cl)nc2c1 35290145 FXUAJXROFWWZRQ-UHFFFAOYSA-N 433.914 5.882 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2ccc(Cl)cc2)cc1 46078799 XMSWGWULPGLVDG-UHFFFAOYSA-N 434.923 5.584 0 40 IKAB COc1cc([C@H](C)NCc2cccc(OCc3ccccc3Cl)c2)ccc1OCCO 48285678 MSMNJGJWGGASQS-SFHVURJKSA-N 441.955 5.150 0 40 IKAB Cc1ccc(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)cc1C 59109417 YDIPDPDGMRAOKS-UHFFFAOYSA-N 440.259 5.845 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2C)c(C)c1 67209149 PACOHTHLEPWCRK-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCC1 72215650 QQHSVEQZYBKFQP-HXUWFJFHSA-N 445.604 6.228 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C(F)(F)F)cc2)n1 72358093 JHLCIEFLRCVRHL-IBGZPJMESA-N 431.483 5.433 0 40 IKAB COc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccc5)cc34)cs2)cc1 96154456 GHARSQJUTGHUAR-UHFFFAOYSA-N 441.512 5.557 0 40 IKAB CC(C)(O)c1cccc(Br)c1-c1c(Br)cccc1C(C)(C)O 96171884 BEAVHXXZPUGITE-UHFFFAOYSA-N 428.164 5.333 0 40 IKAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 101715045 LFHRIHWUOKXWMB-FDDCHVKYSA-N 440.012 5.083 0 40 IKAB CCCCOc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)c1 102647890 IPFRZMXQXVUYEQ-AREMUKBSSA-N 432.564 6.678 0 40 IKAB CCOc1ccc2c(c1)NC(C)(C)c1ss/c(=N/c3ccc(Br)cc3)c1-2 103597495 HLNOHYPKLPEAPV-ZBJSNUHESA-N 447.423 6.531 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118932460 QRSNTERZEKNKIZ-UCFCOILNSA-N 444.700 6.930 0 40 IKAB CO[C@]12C[C@H]3[C@@H]4CC[C@H]5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H](C)[C@@]1(CC[C@H](C)CO1)O2 118936391 MZKXAXQZGWDJRJ-JWLOUULQSA-N 446.672 5.768 0 40 IKAB CSc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl 216286698 BXMLUBKGQPIXEM-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 223067451 LWVLQYQCDJRTCQ-OALUTQOASA-N 445.003 5.174 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)NCCSCc1c(F)cccc1Cl 223284512 SXSSTCVPNQFBGJ-UHFFFAOYSA-N 436.376 5.554 0 40 IKAB CCCCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223358957 ACCTWFOVINLVTF-NDEPHWFRSA-N 442.603 5.696 0 40 IKAB Cc1ccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1C 223395786 BWVCFODCBRMAKI-UHFFFAOYSA-N 425.981 6.058 0 40 IKAB COc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)cc1 223396034 MNXBSWGFVWUJPH-JWQCQUIFSA-N 440.572 5.054 0 40 IKAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCc2ccc(C)cc2)c2ccccc2)cc1 223554662 QZAUNPLGORBANG-AREMUKBSSA-N 444.575 5.046 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c1Br 223971921 JUBBVUMRBMHWHF-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 224006380 KIRTUTPXACLLOQ-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)C1 224008174 KEDQJSDSBQERKV-IBGZPJMESA-N 440.632 5.646 0 40 IKAB Cc1ccc(C(=O)NCCC2CCCCCC2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224054883 AXJRBCBMDQRRQA-UHFFFAOYSA-N 449.016 5.540 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cc(C)n(-c3nccs3)c2C)c1 224226677 PXRBXTHPNXPVLK-YADHBBJMSA-N 445.617 5.431 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccc(C)c(C)c1 224289491 DSQZPHMXHGCDKG-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1CSc1ccc(Cl)cc1 224670842 IHJNDZOCBHYGPM-QGZVFWFLSA-N 425.981 6.522 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1COC(C)C 224722756 LPSVCPBLLXNYSM-UHFFFAOYSA-N 427.522 5.264 0 40 IKAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225348676 JEXGWHXMOZXXBR-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB C[C@H]1CCCCN1CCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1 225520904 UOQBYQLTEMLLMZ-NRFANRHFSA-N 438.587 5.920 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCN(C(=O)CC4CCCC4)C3)cc2N1 248187750 IHDIYCCTENHPEE-SZMVWBNQSA-N 426.527 5.113 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cnccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257328383 XFJLEEDOAKWZBA-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(/C)CC/C=C(/C)CCC=C(C)C)C(=O)O 299888587 PKFBJSDMCRJYDC-VLCGDJPGSA-N 435.674 6.455 0 40 IKAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)c1 408644139 DUOSCLFOGCATTE-UHFFFAOYSA-N 438.483 5.208 0 40 IKAB O=C(COC(=O)CCC(=O)Nc1cccc2ccccc12)Nc1cccc(Cl)c1Cl 408663069 KTARHCANHLIMAF-UHFFFAOYSA-N 445.302 5.047 0 40 IKAB CC(C)c1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3)n2)cc1 408725909 QVWCKKMMBLTKDN-UHFFFAOYSA-N 431.539 7.068 0 40 IKAB COc1cc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)ccc1OCc1ccccc1 409005926 HEOWDGWZMIQAAP-ULJHMMPZSA-N 445.540 5.553 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1\NC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 409108065 RRDOCEVTBRWQGX-PXNMLYILSA-N 425.699 5.138 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2ccccc2Cl)cc1Cl 409109496 GCSWLKYRQIIASE-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCN1C(=O)/C(=C\c2ccccc2OCc2ccc(Br)cc2)c2ccccc21 409122226 ZFZLFGYGRNUPBO-QNGOZBTKSA-N 434.333 5.935 0 40 IKAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)C1=O 409240249 GCPBSIQBSGZNND-UDWIEESQSA-N 441.314 5.638 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3cccc(Cl)c3)C2=O)ccc1O[C@H](C)CC 409345602 JTGJPIHNXNSLBN-FAPYRAKZSA-N 431.941 6.157 0 40 IKAB CNc1nc(C)c(C(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)s1 1848351853 NEPXYDADYVELTH-INIZCTEOSA-N 439.560 5.099 0 40 IKAB COc1ccc(C2(C(=O)N3CCC4(CC3)C[C@@H](Oc3ccccc3)CO4)CCCCC2)cc1 1848355753 DETHNXYRQVVHJI-RUZDIDTESA-N 449.591 5.126 0 40 IKAB COc1ccc(-n2sc3c(c2=S)-c2cc(Br)ccc2NC3(C)C)cc1 727758 NLOVHGKWWGCOCW-UHFFFAOYSA-N 433.396 6.367 0 40 IKAB O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(C(F)(F)F)c1)c1ccccc1 859962 CVNDXWXJFHEKOG-UHFFFAOYSA-N 444.438 5.193 0 40 IKAB Nc1c(Br)cc2oc(-c3ccc(Cl)cc3Cl)nc2c1Br 1307179 WKCHVERQCDPNET-UHFFFAOYSA-N 436.918 5.909 0 40 IKAB Cc1ccc([C@@H](c2nnnn2C2CCCC2)N(Cc2ccccc2)Cc2cccnc2)cc1 1338345 BHJPZCDBFPNYAH-SANMLTNESA-N 438.579 5.283 0 40 IKAB Cc1ccc(N(C(=O)c2ccccn2)[C@@H](C(=O)NC2CCCCC2)c2ccc(F)cc2)cc1 1339125 NUAFMKVSNPFXRT-RUZDIDTESA-N 445.538 5.366 0 40 IKAB Cc1ccccc1N(C(=O)Cc1cccs1)[C@@H](C(=O)NC1CCCCC1)c1cccn1C 1341476 ZGFFVWFAHGGRKP-RUZDIDTESA-N 449.620 5.161 0 40 IKAB COc1cc([C@@H]2C[C@](C)(Nc3ccccc3)Oc3cc4c(cc32)OCO4)cc(OC)c1OC 1643575 VIOSAMYWANJHLU-AFMDSPMNSA-N 449.503 5.184 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc(C)c1-c1ccccc1 1791948 QRNGJPGQDDQPOT-UHFFFAOYSA-N 441.961 6.631 0 40 IKAB CCCCc1ccc(N2COc3ccc4c(C)c(Cc5ccccc5)c(=O)oc4c3C2)cc1 2117156 FQFJOSARMGLZSD-UHFFFAOYSA-N 439.555 6.391 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(C)cc2C)CO4)cc1 2118863 DQVLBMGWEVWQKB-UHFFFAOYSA-N 427.500 5.750 0 40 IKAB biogenic CCCCCCOC(=O)c1c(N)n(CCc2ccc(OC)cc2)c2nc3ccccc3nc12 2389073 OPUSOUHOFJBTPQ-UHFFFAOYSA-N 446.551 5.155 0 40 IKAB CCCSc1nc(NCCCN(CC)CC)c2c3c(sc2n1)CO[C@@](C)(CC)C3 2419054 REESQEDXJDWUTB-QFIPXVFZSA-N 436.691 5.579 0 40 IKAB COc1cccc(COc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)c1 2429645 QDWMVYJWCGJRSC-UHFFFAOYSA-N 426.390 6.066 0 40 IKAB CCc1nnc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)s1 2657045 AMOMNIXQEJLYPB-UHFFFAOYSA-N 440.532 5.062 0 40 IKAB O=C(COc1ccccc1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721220 WCDDGOHUBGFNHD-UHFFFAOYSA-N 436.964 5.776 0 40 IKAB CCCc1ccc(OCC(=O)Nc2scc(-c3ccc(OC)cc3)c2C(=O)OC)cc1 2889761 BMNHZZAJGPKQRI-UHFFFAOYSA-N 439.533 5.180 0 40 IKAB CCc1ccc(OC[C@@H]2c3cc(OC)c(OC)cc3CCN2C(=O)c2ccccc2)cc1 3006742 AEWSVXVEOGUZNJ-XMMPIXPASA-N 431.532 5.085 0 40 IKAB O=C(O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1cccnc1 3237366 UGJRUCMHRYFKLM-SFHVURJKSA-N 434.801 5.291 0 40 IKAB Cc1ccc(NC(=O)[C@H](OC(=O)/C=C/c2ccccc2Cl)c2ccccc2)cc1Cl 3300493 BDHHOVGUKOHGLG-HJSOSKBTSA-N 440.326 6.238 0 40 IKAB Cc1ccc2c(CSc3nnc(-c4cccnc4)n3[C@H]3CCCC[C@@H]3C)cc(=O)oc2c1 3365647 YHGDNZZBCVIOSX-UWJYYQICSA-N 446.576 5.798 0 40 IKAB CC(C)c1ccc([C@H]2C=C(Nc3cccc(Cl)c3)C(=O)N2c2cccc(Cl)c2)cc1 3670063 ISWSLZYHGGNYOV-XMMPIXPASA-N 437.370 7.201 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@@H]32)C1 4025728 WAVPHEOFLPWMCI-GASHUXMMSA-N 432.604 6.534 0 40 IKAB biogenic CCCCc1ccc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)[C@H](C)[C@@H]2CC)cc1 4794674 LSVVQGOVNUXOAF-UADAULAISA-N 426.604 7.258 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 8254697 GDUORWPNKBVFAG-UHFFFAOYSA-N 425.956 5.659 0 40 IKAB Cc1cc(C)cc(N[C@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c1 8594482 QYHTUXNZLHGKRQ-NRFANRHFSA-N 425.866 6.487 0 40 IKAB aggregator Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)c(O)c1 8845466 GFWQOLASQQOIQP-HSZRJFAPSA-N 433.895 5.391 0 40 IKAB Clc1ccc(OCc2nc3ccccc3n2Cc2ccc3ccccc3c2)c(Cl)c1 8846514 RLJRWIOHDAQNEA-UHFFFAOYSA-N 433.338 7.124 0 40 IKAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 8918379 MIMHOWBZOWDYHU-BWSGXRDBSA-N 425.370 5.039 0 40 IKAB biogenic COc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OCc2c(C)noc2C)cc1OC 8978065 UPIUXRMWLSCJPD-UHFFFAOYSA-N 435.476 5.278 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)c2ccccc2[C@@H]1Nc1ccc(OCc2ccccc2)cc1 8986064 BKNWBZBEQTWBCM-LYZGTLIUSA-N 434.539 6.593 0 40 IKAB CCn1c(SCC(=O)c2cn(CC)c3ccccc23)nnc1[C@@H](C)Oc1ccccc1 9096326 KRYHAVGPABFHBX-QGZVFWFLSA-N 434.565 5.388 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c2sc(C(=O)N(Cc3ccccn3)C3CC3)cc12 9117991 RNVQWQNYPMCVNH-UHFFFAOYSA-N 436.968 5.308 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1ccco1)Cc1ccccc1Cl 9431918 AFDCBSXHUIMEHT-UHFFFAOYSA-N 434.717 5.303 0 40 IKAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(-c3ccccc3F)n2CC(C)C)cc1 9464849 KVECKWBCVIQNHJ-UHFFFAOYSA-N 440.544 5.064 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nnc(-c4ccco4)o3)n2C2CCCC2)cc1 9609693 IFHVDPNWXHURAX-UHFFFAOYSA-N 449.580 6.293 0 40 IKAB CCCn1c(Cc2ccccc2)nnc1SCC(=O)Nc1ccccc1C(F)(F)F 9665812 COTYLEKFVSAXNK-UHFFFAOYSA-N 434.487 5.029 0 40 IKAB CCc1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1-c1ccccc1 9668990 SYKIIFLQVDYBRG-UHFFFAOYSA-N 440.878 5.233 0 40 IKAB Cc1ccc(-n2nc(-c3cccc(Br)c3)c3cnc4c(F)cccc4c32)cc1C 9676170 RRMIEOLECWBPFM-UHFFFAOYSA-N 446.323 6.759 0 40 IKAB O=C(Cc1csc(NC(=O)Nc2ccccc2)n1)Nc1ccccc1Oc1ccccc1 9784632 HOXWFIBREHKDKR-UHFFFAOYSA-N 444.516 5.761 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)cc1 9951416 QJIZWSWQFPIVDE-IBGZPJMESA-N 447.560 5.500 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 10058994 DDKOBMRJHOZXOI-CYFREDJKSA-N 446.616 6.907 0 40 IKAB CCOc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 11617334 WZUJMZILPXHGMJ-UHFFFAOYSA-N 434.586 6.555 0 40 IKAB O=C(NC1CCCCC1)N(Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 12249862 PMXCPHBHZSAPHM-OAQYLSRUSA-N 445.563 5.293 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc(N5CCCCC5)cc4)cc3)o2)cc1 12524867 GQXQXGWRTRVTKQ-UHFFFAOYSA-N 438.531 5.955 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/C(=O)Nc2ccccc2F)cs1 12929634 ZGJRHOCTYFINQR-MDZDMXLPSA-N 449.429 5.638 0 40 IKAB O=C(c1cc2cc(Br)cc(Br)c2o1)c1ccc(Cl)cc1Cl 12956360 NAHUZCNIRAUXJZ-UHFFFAOYSA-N 448.925 6.496 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)c1C 13083050 BKAWMWADRZJXCL-UHFFFAOYSA-N 429.589 5.330 0 40 IKAB O=C(Cc1coc2ccc3ccccc3c12)NCCNc1ncc(C(F)(F)F)cc1Cl 13097314 RNSSKNNKUZYXPK-UHFFFAOYSA-N 447.844 5.424 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3OC(=O)/C=C/c3ccccc3)=NN2C(C)=O)cc1 13120579 YLIRMQHTZDSFLG-GCTXXEFPSA-N 440.499 5.012 0 40 IKAB C[C@@H](NC(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc(Cl)cc1Cl 13140871 IIASWWWWCLDJIH-CYBMUJFWSA-N 447.391 5.421 0 40 IKAB COc1ccc([C@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)cc1OC 14163863 YGSKFWIAJWJMKJ-QGZVFWFLSA-N 447.922 5.288 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=S)NC(=O)COc4ccccc4C)c3)nc2c1 14270712 FXMFPOXYVOTNMU-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB Cc1nn2c(c1-c1ccc(Br)cc1)N=C(c1ccco1)C[C@@H]2c1ccccn1 14607640 UEFXNWNNHCSXIY-LJQANCHMSA-N 433.309 5.723 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)/C=C/c4ccccc4)ccc3c2C)cc1OC 15729398 TWNYSKFKTOHKNK-NTEUORMPSA-N 441.483 5.641 0 40 IKAB COc1ccc(CCNCc2cc(Br)ccc2OCc2ccccc2)cc1 16216618 OSUHNLNKZAPFJA-UHFFFAOYSA-N 426.354 5.369 0 40 IKAB COc1cc(C(C)=O)ccc1OCc1csc(-c2cc(Br)ccc2OC)n1 16655162 VDEOSSOERCALLF-UHFFFAOYSA-N 448.338 5.371 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccccc2O)S1 16754533 FGZKZBVQBIGZJA-KCNAVOCSSA-N 441.512 5.087 0 40 IKAB Cn1c(Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)nnc1C1CCCC1 18143511 ZYXZZYFKWGNGDJ-UHFFFAOYSA-N 436.968 5.786 0 40 IKAB CCCOc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)cc1 20152841 SRTNIJFXPLNUAV-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB COc1ccc(S[C@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 20495122 OHDNSLBQLQWNHK-QGZVFWFLSA-N 425.525 5.210 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@H]1c1cccs1 21493439 PGTPZLBBYAWIOH-QHCPKHFHSA-N 438.549 5.711 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2ccc(NC(=O)CCCC)c(OC)c2)cc1 32115491 LSRGXUSBVPHSGO-UHFFFAOYSA-N 426.557 6.035 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 34746967 XETRSTYESXLXIT-UHFFFAOYSA-N 439.345 5.342 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)c(Cl)c2)c2ccc(C)c(C)c2)cc1 35376248 BVOSRBSYSFIDAX-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB Cc1ccc(Cn2c3ccc(C)cc3c3ncn(Cc4ccccc4Cl)c(=O)c32)cc1 35400872 JSLQFJZZMGVSLM-UHFFFAOYSA-N 427.935 5.718 0 40 IKAB CC(C)c1ccccc1N[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 59121226 XXZBHNZCQPDXEY-HSZRJFAPSA-N 428.985 5.595 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(Cc1ccccc1F)CO3 61997656 DQGIOBPQWRUZIB-UHFFFAOYSA-N 429.491 5.492 0 40 IKAB biogenic O=C(COc1ccc(C2SCCCS2)cc1)N1CCC(c2ccc(O)cc2)CC1 69703628 BXTNXSWEVVPEPG-UHFFFAOYSA-N 429.607 5.046 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 100025889 BRIOINWOBOGTMV-JZKJUIAGSA-N 437.926 5.764 0 40 IKAB CCc1ccc([C@H]2C=C(c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 101638872 MPBXHPONGCMAOM-HSZRJFAPSA-N 430.349 6.417 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(Br)cc4)C3=N)n2)cc1 102729316 DIMXAXMBZABEOR-UHFFFAOYSA-N 442.338 5.348 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)o1 106698340 IQKRBYGINCNDCJ-JAIQZWGSSA-N 437.448 5.329 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc2n1C 106700272 PFQPNZFJMWDYJJ-GRSHGNNSSA-N 431.344 6.030 0 40 IKAB CCOc1cc(Br)cc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)c1O 106704033 BBDVFDBZSUAWIM-MFOYZWKCSA-N 448.338 5.098 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1[C@@H](O)C[C@H]2[C@@H]3[C@H](O)C=C4C[C@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 169744797 GSNYNPKRIFCZGN-JJPOBYDHSA-N 446.716 5.966 0 40 IKAB O=C(Nc1ccccc1C(=O)c1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 218990197 ZIFSOXYLBHFYNO-UHFFFAOYSA-N 441.914 6.402 0 40 IKAB CC[C@@H](Oc1ccc(C)cc1C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222956736 QXXZQFWOKNFYEJ-AREMUKBSSA-N 442.603 5.395 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 223606918 FXOQXAQWNDNAGN-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(SC)cc2)cc1 223650419 LHSMQGNUCINMAD-UHFFFAOYSA-N 435.954 5.664 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 223721213 ZPDSYXAAWOMBTL-SFHVURJKSA-N 445.028 5.049 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223865249 MYQYPBGJVCUZGW-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)c(Cl)c3)c2)c1 223948988 FRARICRDSZTASE-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1ccc(C(C)(C)C)cc1 224185881 GIVDUDPMOSMHGA-UHFFFAOYSA-N 429.560 5.770 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc2ccccc2c1 224313821 DGQDFEJPAZOYIG-UHFFFAOYSA-N 435.882 6.472 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccccc2C(C)C)cc1)S(=O)(=O)c1ccccc1 224447853 NNPWOXXGQZLFJL-UHFFFAOYSA-N 436.577 5.273 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1cc(C)cc(C)c1 224534299 BJNCJKOKLIJOOH-UHFFFAOYSA-N 433.504 5.305 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1ccc(CN2CCCCC2)cc1 224534655 UNTPVMCBLSRWIB-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)CCc3ccccc3)o2)cc1 224923538 IHOFIHRUVKMDKF-FQEVSTJZSA-N 440.543 6.158 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 224974732 QBNIXFDKKHMTPY-UHFFFAOYSA-N 448.588 5.100 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 225197788 DGYXGGOVGUFULD-HXUWFJFHSA-N 434.555 5.245 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225495612 MTRVWCUUZASONO-ZJSXRUAMSA-N 440.653 5.508 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)ccc1OCC(C)C 225767952 FLXXBJCWJLWGIT-UHFFFAOYSA-N 439.552 5.357 0 40 IKAB CCCOc1ccc(C(=O)O)cc1-c1cc(-c2cccc(F)c2)n(CCc2ccccc2)n1 257226708 FLUMZGFTFFQQIU-UHFFFAOYSA-N 444.506 6.086 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccccc2OCC)n(CC(C)C)n1 257322192 WEZIORINFZJZTD-UHFFFAOYSA-N 436.552 6.149 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2F)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562459 PSCBYKREOIYWRB-DAFNUICNSA-N 437.367 6.376 0 40 IKAB S=C(NCc1ccc2c(c1)OCO2)c1ccc(OCc2c(Cl)cccc2Cl)cc1 408577489 SUCFZWDJWUHWGP-UHFFFAOYSA-N 446.355 5.766 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3C)n2)cc1 408693729 CPMYGXPBSJKPPA-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c(C)c1 408695733 SNJYWTGSOQHCGF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccccc3)nc2-c2ccc(Br)cc2)c1 408697176 FQRSNJFFTRFWRO-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)S2)cc1 408784261 VANIZCMFOQJUNP-BIWBSIMWSA-N 439.584 5.852 0 40 IKAB CCN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)NC1=S 409008176 VUPWAUVKJYWCTB-SXGWCWSVSA-N 441.767 5.303 0 40 IKAB COc1ccc(CCCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 409018358 URZYUYFCPVHSGX-UHFFFAOYSA-N 425.554 5.108 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1 409044518 GTZJPPQPHNGHBC-PDGQHHTCSA-N 429.328 5.858 0 40 IKAB O=C1N/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1c1cccc(Cl)c1 409094330 DDGADPAVFRDWJU-YBEGLDIGSA-N 433.678 6.004 0 40 IKAB CC(C)CN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)c(Cl)c2)c2ccccc21 409114502 KCUNOFHCFXMOFW-BKUYFWCQSA-N 435.926 6.601 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409181697 FBAYFEJGXLQISN-XHIKKIPFSA-N 436.599 7.106 0 40 IKAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(Sc3ccc(C)cc3)o2)C1=O 409202189 PUFZFCISLZJKDK-RQNDZEIBSA-N 431.535 5.117 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 409252309 DAVKRZGGZZIDCT-MHZLTWQESA-N 444.600 6.056 0 40 IKAB COc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(CCc3ccccc3)n2)c1 585265470 MUVUMRFBCAGPQP-UHFFFAOYSA-N 439.511 5.820 0 40 IKAB O=C(NCCc1ccc(F)cc1)c1ccc2c(c1)Cc1cccc(c1)CNCCCCCO2 643584102 SEPFXWHERAMBFO-UHFFFAOYSA-N 446.566 5.041 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3n2)c1 661281 CQZHVGXGTODKOG-UHFFFAOYSA-N 443.450 5.825 0 40 IKAB CC[C@@H](C)NC(=O)c1nn2c(C(F)(F)F)cc(-c3ccc(Cl)cc3)nc2c1Cl 848593 NMZKVSFMRMCHHS-SECBINFHSA-N 431.245 5.250 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1C1CCCCC1)Nc1cccc2ccccc12 924498 VLQVOWSTEKTEGB-UHFFFAOYSA-N 443.576 5.729 0 40 IKAB Cc1cc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371143 ORXWNVVAWGDTBZ-IBGZPJMESA-N 439.943 5.011 0 40 IKAB Cc1cccc(N(CC(=O)NC2CCCCC2)C(=O)c2nsc(Cl)c2Cl)c1C 1380302 CDOCUNSGADBOFP-UHFFFAOYSA-N 440.396 5.162 0 40 IKAB O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 1383089 IHVCLHVDRWKELJ-LJAQVGFWSA-N 437.977 5.651 0 40 IKAB Cc1sc(NC(=O)/C=C/c2ccc(OCc3ccccc3)cc2)nc1-c1ccccc1 1781744 SCNFIIYNBHYOFM-SAPNQHFASA-N 426.541 6.349 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3ccccc23)cc1 2081690 MCONFZAYSIIPAN-UHFFFAOYSA-N 438.527 6.283 0 40 IKAB Clc1cc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1Cl 2569356 DCPDZFRGNJDWPP-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic,in-vitro CCn1c(-c2ccccc2)c(-c2csc(Nc3cccc(OC)c3)n2)c2ccccc21 2652209 CNMGQHDZDAJYIY-UHFFFAOYSA-N 425.557 7.204 0 40 IKAB CCOC(=O)c1c(Nc2nc3ccccc3nc2N2CCCCC2)sc2c1CCCC2 3193239 HECOSHJXILEMMQ-UHFFFAOYSA-N 436.581 5.481 0 40 IKAB C[C@H]1CCc2c(sc3ncnc(N4CCN(c5ccc(Cl)c(Cl)c5)CC4)c23)C1 3267712 PWNCRYTYQXKKPK-ZDUSSCGKSA-N 433.408 5.450 0 40 IKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3270000 DBBWAPDYKKIESK-MDWZMJQESA-N 426.442 5.342 0 40 IKAB O=C(OCc1cccc(C(F)(F)F)c1)c1cc(-c2ccccc2Cl)nc2ccccc12 3275718 SLPMDBQLZHZQLT-UHFFFAOYSA-N 441.836 6.931 0 40 IKAB NC(=O)c1ccc(-c2nnc(Nc3ccc(OC(F)(F)Cl)cc3)c3ccccc23)cc1 3672574 GUSAPNPQBHFHSX-UHFFFAOYSA-N 440.837 5.307 0 40 IKAB in-vivo Cc1ccc2c(C)cc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)nc2c1C 6281984 VAVQTDWYYMONNY-UHFFFAOYSA-N 438.902 6.563 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cn4)cc3N2)cc1 8442770 OONMABNCULGBQV-GDBMZVCRSA-N 435.837 5.153 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccccc3)cc(-c3ccc(F)cc3)c12 8448583 JXHZAXDHYUETMI-UHFFFAOYSA-N 439.515 6.604 0 40 IKAB Cc1ccnc(-n2c(SCc3ccc(Cl)cc3)nc3sc(C)c(C)c3c2=O)c1 8450701 MLOWMUYJJVQJDW-UHFFFAOYSA-N 427.982 5.713 0 40 IKAB CC(C)Cc1ccc([C@H](C)C(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1 8452538 SZEJXKFOZCECRP-SFHVURJKSA-N 434.967 6.533 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSC1=NC2(CCCCCC2)Nc2ccccc21 8756977 LXEHDFSDLLUJPK-UHFFFAOYSA-N 428.001 6.243 0 40 IKAB C[C@@H](C(=O)NCCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 8992240 AZRHASKNKOCFPQ-OAHLLOKOSA-N 444.922 5.487 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4ccc(C)cc4)c3)s2)cc1 9062316 VLBJMVSRCXSTQR-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB O=C(Cc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1)Nc1ccccc1F 9264837 RRPBLLWFSRXELA-UHFFFAOYSA-N 436.487 5.019 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2Cc2ccco2)cc1 9307316 NKKFFHQRGLNDEY-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3ccc4c(c3)OCO4)c3ccccc32)c1 9391761 MCHPHNXTLGPCBU-UHFFFAOYSA-N 444.556 5.766 0 40 IKAB Cc1ccc2c(CC(=O)Nc3sc4c(c3C(=O)NCc3ccco3)CCCC4)coc2c1 9430922 DMUBDJZFTBJERG-UHFFFAOYSA-N 448.544 5.386 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)Nc1cccc(Cl)c1 9633043 ICIUEDJCXULQTB-UHFFFAOYSA-N 426.954 5.380 0 40 IKAB COc1cc2c(cc1/C=C/C(=O)N1CCC(c3nc4ccccc4s3)CC1)O[C@H](C)C2 9664133 FTYNJDSXUGPTMV-KXPUMZMLSA-N 434.561 5.048 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 11497803 YIXYKUSRWXJATP-UHFFFAOYSA-N 445.498 5.037 0 40 IKAB COc1cccc2s/c(=N/C(=O)c3cc(-c4cccs4)nc4ccccc34)n(C)c12 11853042 MLMKBBYBLVNBDG-WJTDDFOZSA-N 431.542 5.266 0 40 IKAB COc1cc(CSCc2csc(NC(=O)c3cc4ccccc4o3)n2)cc(OC)c1 12230273 JDKJLYGYKFIGMT-UHFFFAOYSA-N 440.546 5.592 0 40 IKAB c1ccc(COc2ccc([C@@H]3Oc4ccccc4[C@H]4CC(c5ccccc5)=NN34)cc2)cc1 12275981 VDUBVYWQKRFDKU-PXJZQJOASA-N 432.523 6.508 0 40 IKAB COC(=O)c1cc(COC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)oc1C 12484179 HQXLSOZHTDQXLS-YDXVBCDDSA-N 436.548 5.573 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2Cc2ccccc2)c(C)n1Cc1ccco1 12550047 CQTGBAHRZAMHDA-UHFFFAOYSA-N 446.576 5.238 0 40 IKAB O=C(COc1ccccc1Cc1ccccc1)OCc1cc(Cl)c2c(c1)OCCCO2 13029681 RWUORQZKVBBFSK-UHFFFAOYSA-N 438.907 5.214 0 40 IKAB O=C(CSc1ccc2c(c1)CCC2)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 13037775 BVFFDSIVMGQXEG-UHFFFAOYSA-N 439.968 5.162 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCC(c1ccccc1)c1ccccc1 13121266 MXFMJOPEWSPJFZ-UHFFFAOYSA-N 443.978 5.845 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Br)c3ccccc3)cc2c1 13511757 PHLNXNQZAINWKY-UHFFFAOYSA-N 447.332 5.446 0 40 IKAB Clc1cccc(Cl)c1-c1nc(-c2ccc(Br)cc2)c(-c2ccccc2)[nH]1 13564326 JMSISQDZSZOGPB-UHFFFAOYSA-N 444.159 7.480 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4)=NN23)cc(OC)c1OC 13768465 IETLLEJSUPDFJV-RLWLMLJZSA-N 430.504 5.263 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cccc(-c3nc4cc(C)c(C)cc4o3)c2)c(F)c1F 14272390 OLDJPBJPDZLWNJ-UHFFFAOYSA-N 444.384 5.929 0 40 IKAB O=C(c1ccccc1)c1ccc(Oc2ccc(Cl)cc2NC(=O)c2cnccn2)cc1 14820667 VEWDFMNUCQLPOK-UHFFFAOYSA-N 429.863 5.406 0 40 IKAB O=c1c2ccccc2nc(SCc2nc3ccccc3n2C(F)F)n1Cc1ccco1 14901795 WWPIXAAMKOYLDG-UHFFFAOYSA-N 438.459 5.075 0 40 IKAB O=C(NCCCOc1c(F)c(F)c(F)c(F)c1F)Nc1ccc(Cl)c(Cl)c1 15319002 YVYQDJLBMMRYKB-UHFFFAOYSA-N 429.172 5.280 0 40 IKAB COP(=O)(OC)c1nc(Cc2ccc(Cl)cc2)oc1NCc1ccccc1Cl 16751438 ZKDSSUXGCWONAU-UHFFFAOYSA-N 441.251 5.296 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3)c(-c3ccc(OC)cc3)c2Cl)cc1 17094286 WTIKNYPIIXGSCK-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3cc(Cl)ccc3Cl)c2C(N)=O)C1 17094332 MACKPRPEZVGVIQ-SNVBAGLBSA-N 425.381 5.557 0 40 IKAB COc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 17095658 GJWDZBJTPOAEIN-UHFFFAOYSA-N 427.938 5.238 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2ccc(NC(=O)c3cccc(C)c3)cc2)c(F)c1F 17097865 VVJMKMQCFLUEGO-UHFFFAOYSA-N 432.373 5.065 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 17099201 CUMDTHFSOQHSPM-UHFFFAOYSA-N 434.706 6.139 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1ccc(C(C)C)cc1 17101521 VKFUIKKHGJCYLO-SANMLTNESA-N 437.543 6.149 0 40 IKAB O=C(CSc1nccn2nc(-c3ccccc3)cc12)Nc1ccccc1C(F)(F)F 17191846 DRTIDTMIWRUVOK-UHFFFAOYSA-N 428.439 5.146 0 40 IKAB COc1cc(NC(=O)c2ccc(-c3ccccc3)cc2)ccc1N1C(=O)c2ccccc2C1=O 19647130 QZQOGOOWRLTKRU-UHFFFAOYSA-N 448.478 5.415 0 40 IKAB C[C@@H]1CCCN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 22851836 LZWZYLRIDMBKKK-DYVFJYSZSA-N 428.945 5.231 0 40 IKAB CCOc1cc2c(cc1CNC(=O)c1c(-c3c(F)cccc3Cl)noc1C)O[C@@H](C)C2 24317406 LBEFMDNAKZUZGI-LBPRGKRZSA-N 444.890 5.095 0 40 IKAB CCc1ccc(OCC(=O)N(C)[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 28288768 UDPMPWNGQZMEBA-HHHXNRCGSA-N 428.532 5.366 0 40 IKAB COc1ccc(Cc2nc(SCC(=O)N(c3ccccc3)c3ccccc3)no2)cc1 28527244 ZYNPOOFIGCOYML-UHFFFAOYSA-N 431.517 5.126 0 40 IKAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccncc4)C=C3C)o2)cc1 30883277 LFWGKDYIULAZNX-LSQMVHIFSA-N 446.595 5.327 0 40 IKAB biogenic,in-vitro COc1ccc(Br)cc1C(=O)Nc1nc2c(Cl)c(Cl)ccc2s1 32127323 RZKWPEHHFLICBT-UHFFFAOYSA-N 432.126 5.627 0 40 IKAB COc1ccc(NC(=O)COc2ccc(-c3nc(-c4ccc(C)cc4)no3)cc2)cc1Cl 32578658 UYRHVRUADHCHHC-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccc(F)cc4)c(OC)c3)C(=O)O2)cc1 33726785 BZNXKKAZUSTNJR-HMAPJEAMSA-N 447.462 5.157 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3Cl)c(Cl)c2)cc1 35152923 YTOFEEWESCFFQT-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB CCc1ccc(Oc2cc(N3CCC(C(=O)Nc4ccc(C)c(C)c4)CC3)ncn2)cc1 35528197 MOSLKCRWLZKIFJ-UHFFFAOYSA-N 430.552 5.303 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 38755628 UDVQAFWIJUTSCV-CYBMUJFWSA-N 425.381 5.394 0 40 IKAB OCC[C@@H]1CCCCN1c1ccc(CNc2ncnc3scc(-c4ccccc4)c23)cn1 40149338 WGSWTBNGXARIPZ-FQEVSTJZSA-N 445.592 5.107 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1scc(-c2ccc(F)cc2)c1-n1cccc1 64872343 KYSBRIFOQFYWRY-UHFFFAOYSA-N 430.426 6.616 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@H](c1ccc(Cl)cc1)c1cccnc1 72277978 QAAJTURREAVTAG-RUZDIDTESA-N 435.999 7.235 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN2C(=O)c2cc3c(C)cccc3[nH]2)n1 72372629 PIYPHMVSWLULPJ-DEOSSOPVSA-N 440.551 5.307 0 40 IKAB O=C(Nc1cccc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)c1)c1cccnc1 79050126 PXMRWLFUPSZNJS-UHFFFAOYSA-N 435.474 5.197 0 40 IKAB Cc1c(C(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)cnn1-c1cccc(C(F)(F)F)c1 89544937 IIKVJWFEPBEZSW-UHFFFAOYSA-N 435.356 5.266 0 40 IKAB CN1/C(=C\C=C(/C=C\C2=[N+](C)c3ccccc3C2(C)C)CCCO)C(C)(C)c2ccccc21 95913082 NPAAZGYPFMYJRB-UHFFFAOYSA-N 441.639 6.259 0 40 IKAB COc1cc(-c2c(NC(=O)c3ccc(C)cc3)oc3ccccc3c2=O)cc(OC)c1OC 101192132 SUVMPQMMCLJVQS-UHFFFAOYSA-N 445.471 5.047 0 40 IKAB Clc1cccc([C@@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 104339827 WCSYSQZEDFGLRT-WJOKGBTCSA-N 445.005 8.507 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106688118 JEKNERSJPQIHSR-FAPYRAKZSA-N 431.941 5.762 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214815434 YMVCBLIOPRSOAJ-GIDUJCDVSA-N 433.143 6.537 0 40 IKAB O=C(Nc1ccccc1)/C(=C\c1cccnc1Cl)C(=O)Nc1cccc(C(F)(F)F)c1 215737935 HHHLOSWRPWHMQU-LDADJPATSA-N 445.828 5.415 0 40 IKAB COc1cc(CNC(=O)CSCc2ccc(Cl)cc2Cl)ccc1OC(C)C 222722675 NSFLSTSCQFPEHN-UHFFFAOYSA-N 428.381 5.339 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)ccc1C 222792081 SATFKQFILGHGRQ-JOCHJYFZSA-N 449.422 5.485 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C 223892409 WQBWKDLKFJONJH-DNQXCXABSA-N 433.625 5.324 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1cccc(C)c1 224109935 QCWSYDXGLQJHQY-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccccc1C(C)C 224236297 KHRFBGIARHITME-OAQYLSRUSA-N 431.576 6.149 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C 224364574 PEUVQORQFMMQSW-RPBOFIJWSA-N 432.637 6.381 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1CSc1ccc(Cl)cc1 224391572 UEXNVIJXFHKGAG-UHFFFAOYSA-N 440.952 5.852 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc(OC)c(C)c1 224516083 ZUKLPBZNJFYPPM-MRXNPFEDSA-N 426.738 5.066 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3cccn3C)cc2)cc1 224711836 PDXBXCOCGFKZHM-JWQCQUIFSA-N 440.572 5.698 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)cc1OC 224962028 KLDJGKKFTBPNGV-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225161135 NTMUYTXAAKGUPX-DEOSSOPVSA-N 441.015 5.529 0 40 IKAB COc1cc2c(cc1OC)-n1cccc1[C@@H](c1ccc(NC(=O)c3ccco3)cc1)CC2=O 225381839 AMMSGCLQKBFCQS-GOSISDBHSA-N 442.471 5.058 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 225528371 IORRVYUIEYFAQU-QPPBQGQZSA-N 440.653 5.259 0 40 IKAB CCOC(=O)c1cccc(NC(=S)N[C@@H](C)c2ccc(OCC)c(OCC)c2)c1C 225751170 DEAHERDEDHWRGZ-INIZCTEOSA-N 430.570 5.017 0 40 IKAB CCCCC(=O)N1CCC[C@](COc2ccc(Cl)c(C)c2)(CC(=O)N2CCCCC2)C1 257218369 DCWQKOBTBBCGRE-VWLOTQADSA-N 449.035 5.229 0 40 IKAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H](c2ccc(Cc3cccc(F)c3)cn2)C1 257259214 KXIYUPYJRNAVAB-LJQANCHMSA-N 444.959 5.033 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 257322376 WFSRKUOCMWFQGH-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc5ccccc45)C3)cc2)c1 408642047 NHOJCRGXCUPSAZ-OAQYLSRUSA-N 436.511 5.932 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccccc3C)n2)cc1 408696254 YQVRWFSUEAUGEN-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c(C)c1 408725865 QJZFMXJLTLEVQL-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB COc1cc(CNc2ccc(Oc3ccccc3)cc2)cc(Cl)c1OCc1ccccc1 409122106 ZDJSAKWCIUTHBG-UHFFFAOYSA-N 445.946 7.332 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)NCc1cncc(-c2cccnc2)c1 675008121 BFZNBIOBIKLVAQ-UHFFFAOYSA-N 427.479 5.324 0 40 IKAB Cc1ccccc1[C@H](N[S@](=O)C(C)(C)C)c1ccccc1P(C(C)(C)C)C(C)(C)C 1857794990 DDRKSUSIFOAIHS-YUDQIZAISA-N 445.653 6.840 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2ccc(OC)cc2[nH]c1=O 895009 ANPNOSHMLOQOLH-UHFFFAOYSA-N 447.560 5.091 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2ccccc2c1 989858 MPTQJWZZVCCVEQ-MHZLTWQESA-N 441.914 5.501 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(CCc1ccccc1)C(=O)c1cccs1 1333449 JZYPLFIAKSXFAZ-RUZDIDTESA-N 446.616 5.623 0 40 IKAB COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Br)cc3)cc2)cc1 1383704 NCMWBYPPNXXARV-GIDUJCDVSA-N 438.321 5.689 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)Nc4cccnc4Cl)cc3n2)cc1 1431267 AQQZVWFOZCUKQG-UHFFFAOYSA-N 431.805 5.024 0 40 IKAB O=C(O)c1ccccc1SC(Sc1ccccc1C(=O)O)c1ccccc1Cl 1599625 VJPLNZUDDIDDBC-UHFFFAOYSA-N 430.934 6.320 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 1752393 TXHAWOCRWOMNKB-UHFFFAOYSA-N 445.146 5.608 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2cc(Cl)cc(Cl)c2OC)sc2c1CCC2 1862717 ICDUMSIXIISZST-BQYQJAHWSA-N 440.348 5.381 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)/C=C/c2ccc(C(C)C)cc2)c1 2240325 BJLVVSNPYYACRI-MDWZMJQESA-N 444.000 5.728 0 40 IKAB CCCOc1ccc(C(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 2259574 MDXJWRNBFQPLTB-UHFFFAOYSA-N 447.354 5.622 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccccc4C)[C@@H]2C3(Cl)Cl)cc1 2269886 YFTAIBWAZMMXLG-TZRRMPRUSA-N 425.355 6.617 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccco2)cc1 2403499 JBHDIVBXQPLIBB-UHFFFAOYSA-N 447.564 5.055 0 40 IKAB FC(F)(F)c1cccc(OCc2nn3cc(-c4ccc(Cl)cc4)c4c3n2CCCC4)c1 2619160 UJOSIYBWIMTDRL-UHFFFAOYSA-N 445.872 6.390 0 40 IKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cn1 2640110 UTMZPRZQWOOJPM-UHFFFAOYSA-N 447.343 5.476 0 40 IKAB Cc1cccc(Cl)c1OCc1ccc(-c2nc3c4c5c(sc4ncn3n2)CCC5)o1 2791427 YULFOWXTVIAKKU-UHFFFAOYSA-N 436.924 5.629 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(Br)cc1 3317424 UUSRTYDERFTQJI-UHFFFAOYSA-N 442.693 5.252 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1oc2ccccc2c1COc1ccccc1 3325727 NKCYIWXGAKIOES-UHFFFAOYSA-N 433.507 6.531 0 40 IKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(Cl)s1 3328430 RRYXVBLPFMLEDG-UHFFFAOYSA-N 444.969 5.452 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 6632062 FMHHFDNLURANAG-OAGGEKHMSA-N 440.897 5.602 0 40 IKAB Clc1ccc(-c2cn3nc(N4CCN(c5cccc(Cl)c5)CC4)sc3n2)cc1 8770098 WCLWRHGAACPECK-UHFFFAOYSA-N 430.364 5.091 0 40 IKAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(=O)/C=C/c1ccc(OC)cc1 8783185 NWNQOAZCDWMOGB-DOQWNWBTSA-N 435.564 5.002 0 40 IKAB biogenic,in-vitro COc1cccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1 8871406 ZQZHLJCNQCPVQT-FQEVSTJZSA-N 441.531 5.035 0 40 IKAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)Nc1ccc(Cc2nc3ccccc3s2)cc1 9255864 MPWMCFBVGPFGSU-ZDUSSCGKSA-N 436.562 5.267 0 40 IKAB Cc1c(CCC(=O)NCc2ccccn2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 9429172 YZQMNZDROCWQTD-UHFFFAOYSA-N 432.520 5.098 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(F)cc1Cl)c1ccccc1 9666414 ACSHZHSLJJXRSE-NRFANRHFSA-N 427.859 5.333 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc(Cl)cc1 9730535 CVWNWJOSMIRKFY-QHCPKHFHSA-N 426.299 5.001 0 40 IKAB CCC(=O)Oc1cc(C(C)(C)C)cc2cc(-c3nc(-c4ccccc4C)no3)c(=O)oc12 9941224 MYJNKKFLNDFKBV-UHFFFAOYSA-N 432.476 5.431 0 40 IKAB C[C@H](Sc1nc(-c2ccc(F)cc2)cs1)C(=O)Nc1ncc(Cl)cc1Cl 9958102 QVBPATAEKNXPPA-VIFPVBQESA-N 428.341 5.770 0 40 IKAB Cc1ccc(CCC(=O)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)cc1 10334538 MEJMLQURHFHMFN-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 11852391 RLPQOIHPNNITLD-JOCHJYFZSA-N 425.315 5.994 0 40 IKAB Cc1cc(C)c2sc(N(CCN(C)C)C(=O)c3cc(Cl)sc3Cl)nc2c1 12140827 UQMCSMWWZQEARQ-UHFFFAOYSA-N 428.410 5.490 0 40 IKAB Cc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccc(Cl)cc3)cc2O)n1 12427671 KSOLGZZIFUZUSV-UHFFFAOYSA-N 437.326 6.710 0 40 IKAB CCOc1cc(/C=C/C(=O)OCc2nc3ccccc3n2C(F)F)cc(Cl)c1OC 12530064 JYSKQDLFZWKHDX-CMDGGOBGSA-N 436.842 5.249 0 40 IKAB Fc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl 12960084 NRYGRSFDCITIQH-UHFFFAOYSA-N 433.245 5.493 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1Br 13011606 GFZKBNADJLASHP-UHFFFAOYSA-N 442.310 5.123 0 40 IKAB COc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)ccc1OCc1c(C)noc1C 13109078 PHOBEWVBPNURCD-CYBMUJFWSA-N 448.441 5.389 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)c3cc(C)n(Cc4cccs4)c3C)cc2)n1 13129299 PZLFMMPHCOGBRN-UHFFFAOYSA-N 447.560 5.057 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)cc1 13632220 ZTDNCQLGXNDFKF-UHFFFAOYSA-N 444.575 6.377 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1ccccc1)c1cccc(OCc2ccccc2)c1 13684608 RLSJWMGRLHNPDO-UHFFFAOYSA-N 436.511 5.448 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cnc3sc4c(n3c2=O)CC[C@H](C(C)(C)C)C4)cc1 14291530 PMYCULZVGGSGAV-KRWDZBQOSA-N 437.609 5.457 0 40 IKAB O=C(Nc1cc(F)ccc1F)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 15004717 STPPHZWWMZBEQN-UHFFFAOYSA-N 439.512 5.862 0 40 IKAB CC(=O)Nc1c(C)ccc(NC(=O)C(=O)c2c(-c3ccccc3)[nH]c3ccccc23)c1C 15109070 HNDYFFZNUZDAQL-UHFFFAOYSA-N 425.488 5.232 0 40 IKAB Cc1cc(SCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)nc(C(C)C)n1 16454531 VBBCHXMCGCRKQL-INIZCTEOSA-N 426.567 5.033 0 40 IKAB O=C(c1ccccc1)c1noc(-c2cccc3ccccc23)c1S(=O)(=O)c1ccccc1 16476894 GCDITZFILDLOCJ-UHFFFAOYSA-N 439.492 5.559 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](Cc2cc(Cl)cc(Cl)c2O)C(=O)c2ccccc2)cc1 16940400 BGCMQBUGXHYPCK-HXUWFJFHSA-N 449.355 5.275 0 40 IKAB O=C1CCCC(=O)C12Cc1ccc(Br)cc1N1CC[C@@H](c3ccccc3)C[C@@H]12 16957234 XIEPITOOPZYXGG-DYESRHJHSA-N 438.365 5.066 0 40 IKAB COc1ccc(NC(=S)N(CCc2c(C)[nH]c3ccc(OC)cc23)Cc2ccco2)cc1 16977511 KJJLWOOPVFWLOF-UHFFFAOYSA-N 449.576 5.528 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1cccc2c(Cl)cccc12 17095154 YCYHKDIUBVVWJW-UHFFFAOYSA-N 426.859 5.546 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 17097998 QGCXARFRFHCMQW-SFQUDFHCSA-N 432.523 7.423 0 40 IKAB CCOc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1Cl 17099360 UEYNADNNKDTLFP-CYBMUJFWSA-N 434.989 5.302 0 40 IKAB O=C(c1ccccc1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19368693 KQWHFMLWDTVSDW-UHFFFAOYSA-N 435.531 5.302 0 40 IKAB CCCCc1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1 20594900 JUJGYEGMLHPZRR-UHFFFAOYSA-N 449.381 7.804 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610658 HTPZWYSZERKLOW-UHFFFAOYSA-N 428.536 5.685 0 40 IKAB CCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633450 JQJWGFSITUWADW-HSZRJFAPSA-N 435.524 5.074 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4cc(Cl)c(OC)c(Cl)c4)ccc3o2)c1 21579086 BAEOKTCSHZIWEH-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 22534272 LQERHBDYKCHIPT-HHHXNRCGSA-N 443.518 6.032 0 40 IKAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)CCc1ncc(-c2c(F)cccc2F)o1 31337022 UAJVFUDZDNRVOJ-LBPRGKRZSA-N 439.289 6.079 0 40 IKAB O=c1c2ccccc2nc(CSc2nc(-c3ccccc3)c[nH]2)n1-c1ccccc1Cl 32109849 VYSANKLRGSBJEB-UHFFFAOYSA-N 444.947 5.722 0 40 IKAB CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccc(C)cc1 33645947 OGPJKMFFVHJTSG-UHFFFAOYSA-N 448.426 5.897 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 36616669 JBTKEHGIEAQJED-UHFFFAOYSA-N 435.487 5.514 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 39758618 TWRPVTCQRYDWBD-OVCLIPMQSA-N 444.878 5.294 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1OCC 39760126 MYFBYCIZSKMDMU-SFHVURJKSA-N 445.003 5.227 0 40 IKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44900402 RHMUJEDNFCDHCW-UHFFFAOYSA-N 427.592 5.734 0 40 IKAB CC(C)c1ccc(-c2cc3c(SCc4cccc(Br)c4)nccn3n2)cc1 45925428 DSNUTTNLWNRBPV-UHFFFAOYSA-N 438.394 6.575 0 40 IKAB CCOc1ccccc1Oc1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cn1 48310271 MELIQYRTHGMJBX-UHFFFAOYSA-N 427.504 5.368 0 40 IKAB CCc1nnc2sc(-c3cccc(NC(=O)c4sc5ccccc5c4Cl)c3)nn12 57316886 MBRXFQWJEQRXPQ-UHFFFAOYSA-N 439.953 5.536 0 40 IKAB Brc1ccc(COc2ccccc2[C@@H]2NN=C(c3ccccc3)S2)cc1 59409044 NBXDYJWNZCOLSS-OAQYLSRUSA-N 425.351 5.725 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2C(F)(F)F)n1Cc1ccccn1 67259378 UDWKYMQYFILHOC-UHFFFAOYSA-N 427.451 5.151 0 40 IKAB Cc1c(Cl)cccc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@@H]1CCCO1 67293036 MIWACRGODGODCU-DAAIQYDRSA-N 431.319 5.189 0 40 IKAB CC[C@H](NC(=O)CCc1ccccc1Cl)c1noc(-c2cccc(Br)c2)n1 84734893 DDSDBFLEVCZPLD-KRWDZBQOSA-N 448.748 5.353 0 40 IKAB Cc1ccc(C(=C2[C@@H]3C=C[C@@H]2[C@H]2C(=O)N(Cc4ccccc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 100999575 SRFOTTJWRPTJKS-LYWOHPCHSA-N 445.562 5.723 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1ccc(C)cc1 108073836 NYPOKWIMJWWNLU-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB O=C(Nc1ccc(S[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2=O)cc1)C1CCCCC1 113563796 KGWXZYSYDKVJOO-HXUWFJFHSA-N 442.968 5.283 0 40 IKAB CC(=O)O/C=C(\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 118923190 XMNVJWVQDFNIJF-FPMNZSROSA-N 430.585 5.223 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3C(=O)C[C@H]2C1 123260124 GPYWHLREAIMALG-VGJWNYLPSA-N 444.700 7.218 0 40 IKAB CC(C)n1c(Cl)nc2cc(C(=O)N(Cc3ccc(C(=O)O)o3)C3CCCC3)ccc21 222553974 AGVCZHNILHPTFY-UHFFFAOYSA-N 429.904 5.147 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 222683532 RLNZYHXWFPDVDK-XMDBHEJHSA-N 426.948 5.644 0 40 IKAB CN(c1ccc(C(=O)NCCC2CCCCCC2)cc1)S(=O)(=O)c1ccc(Cl)cc1 224182124 QEXQQTSYGBZLAE-UHFFFAOYSA-N 449.016 5.255 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1)S(=O)(=O)c1ccccc1 224357706 MUPNCPVHKNQOGV-UHFFFAOYSA-N 428.941 5.116 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225095895 KLHNAGNQHWGVBI-RTBURBONSA-N 447.044 5.214 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225283251 VYHYIUCTRRHXBS-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)ccc1OC1CCCC1 225583013 CQVCNAFZVMXICC-UHFFFAOYSA-N 448.390 6.310 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3ccc(Cl)cc3F)CC1)CC(C)(C)O2 225587248 PUNXDVFVVSBWNX-JOCHJYFZSA-N 444.978 5.418 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](CC(C)C)c2ccccc2)cc1 225731141 IIANDQSPIHBIHH-QHKNXTSZSA-N 448.588 5.431 0 40 IKAB S=C(Nc1cccc(Br)c1)NC1(CCc2ccc(Cl)cc2)CCCC1 225845936 ZTFMCDSZBPGBTR-UHFFFAOYSA-N 437.834 6.335 0 40 IKAB Cc1cc(C)n(-c2nc3c(Br)cc(C45CC6CC(CC(C6)C4)C5)cc3s2)n1 226302901 DEKKTPFKDGZAFK-UHFFFAOYSA-N 442.426 6.329 0 40 IKAB C[C@H](Sc1nnc2c(n1)[C@@]1(C)CC[C@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 229798899 UTSDCHSVMLISRD-ADLZZSLISA-N 444.604 5.892 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@H]3CC[C@]12C 253497750 AHQGBTJUQBJWCN-ZHKDXRFSSA-N 436.592 6.107 0 40 IKAB Cc1cncc(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)c1 257283705 OZLKGSMJYVKOCP-RBBKRZOGSA-N 440.971 5.215 0 40 IKAB CCOc1cc(COc2c(Cl)cc(C=O)cc2Cl)ccc1OCc1ccccc1 408541103 XSHRXFMLZCFOJH-UHFFFAOYSA-N 431.315 6.363 0 40 IKAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c1 408641092 JPTVWDRWLAUVRY-LJQANCHMSA-N 430.504 5.096 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(C)c3C)CC2=O)cc1Cl 408646155 TVFVJVHBECGRON-CQSZACIVSA-N 435.749 5.019 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(-c3ccccc3)cc2)s1)c1ccncc1 408835394 YRDNJWPXOLNUDJ-UHFFFAOYSA-N 433.536 6.791 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409020418 PAZGPZTZPHORKI-SYXCRGJESA-N 447.556 6.262 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1ccc(Br)cc1 409118645 OVVMGWFQCZRAIC-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB Cc1cc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)c(C)n1Cc1ccccc1 409126475 OKMNLZUHLUGMRH-JJIBRWJFSA-N 430.573 5.822 0 40 IKAB O=C1S/C(=C\c2cn(CCOc3ccccc3)c3ccccc23)C(=O)N1c1ccccc1 409139024 LJPQVCQVAJJWIU-ULJHMMPZSA-N 440.524 5.961 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 409185564 MNZBVFOWAIULKC-UHFFFAOYSA-N 432.614 6.760 0 40 IKAB CCC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(C(C)(C)C)cc3)[C@@](O)(C(F)(F)F)[C@H]2C1 409352539 DEKHUCXCUOCCPU-STSQHVNTSA-N 438.534 5.899 0 40 IKAB CCNCCOc1ccc(Oc2c(-c3ccc(OC)cc3)sc3cc(O)ccc23)cc1 2362803840 RQWUNPGJLIEMDD-UHFFFAOYSA-N 435.545 6.063 0 40 IKAB O=C(Nc1ccc(Cn2cccn2)cc1)c1ccc(COc2cc(Cl)ccc2Cl)o1 653942 XQLJEKZHOKUXAS-UHFFFAOYSA-N 442.302 5.663 0 40 IKAB COc1ccc(C(=O)Oc2ccc3ccc(OC(=O)c4ccc(OC)cc4)cc3c2)cc1 683132 TVTGUMZJZVFBGG-UHFFFAOYSA-N 428.440 5.295 0 40 IKAB Cc1cc2cc(CN(C(=S)NCCc3ccccc3)C3CCCC3)c(=O)[nH]c2cc1C 879013 SCMUIPXQJAEFIV-UHFFFAOYSA-N 433.621 5.007 0 40 IKAB CCOc1ccc(-c2nc3c(sc(=S)n3Cc3ccccc3)c(=O)[nH]2)cc1OCC 1080782 RSEPBPGAKNVOTR-UHFFFAOYSA-N 439.562 5.028 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1cccs1)N(C(=O)c1ccccn1)c1ccc(F)cc1 1339002 DGXLLBVCQRLGHA-QFIPXVFZSA-N 437.540 5.119 0 40 IKAB COc1cccc(-c2nnc(SCc3ccc(-c4ccccc4)cc3)n2-c2ccccc2)c1 2068459 YNZGCEYIAGPHNC-UHFFFAOYSA-N 449.579 6.902 0 40 IKAB CCCCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1 2702771 CIWJEOXZPPNKDV-NRFANRHFSA-N 446.528 5.568 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1OCc1ccccc1C 2738636 PMEXSNBVTZYIHS-HZHRSRAPSA-N 427.500 5.626 0 40 IKAB Cc1cccc(NC(=S)Oc2cccc(C(=O)Nc3ccc4ccccc4c3)c2)c1C 3088261 XZNYYGFMADWMED-UHFFFAOYSA-N 426.541 6.485 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc(OC)c1OC 3213986 QZFOYHBPTFNYKE-UHFFFAOYSA-N 446.528 5.755 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1cccnc1 3237367 UGJRUCMHRYFKLM-GOSISDBHSA-N 434.801 5.291 0 40 IKAB O=C(COC(=O)c1cc(F)c(F)cc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 3238935 JDBYONXNGPOIIG-UHFFFAOYSA-N 429.033 5.374 0 40 IKAB O=c1c2ccc(Cl)cc2nc(SCCOc2ccccc2Cl)n1-c1ccccc1 3299587 NTGBYYNFIDLWCX-UHFFFAOYSA-N 443.355 5.864 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccccc1NC(=O)CC12CC3CC(CC(C3)C1)C2 4703762 CUIWKJMHXWUAGT-UHFFFAOYSA-N 430.592 6.607 0 40 IKAB O=c1[nH]c2cc(Cl)ccc2c(-c2ccccc2Cl)c1Sc1nc2ccccc2[nH]1 8691881 WEQXLHDLICKEGR-UHFFFAOYSA-N 438.339 6.529 0 40 IKAB Cc1cc(C)c(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)c(C)c1 8997297 XIMGSYWVNWXMCR-UHFFFAOYSA-N 431.561 6.195 0 40 IKAB Cc1cc(C)n2cc(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)nc2n1 9141646 JTVWAZCEAIBAFX-UHFFFAOYSA-N 430.512 5.025 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 9305603 WEFFPIKWZTYQCY-UHFFFAOYSA-N 440.878 5.194 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2cccc(C)c2)cc1 9308369 UOBWQRKLDZEMCT-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(Oc2ccccc2)cc1 9367802 QCQJJJJKUQUYMS-UHFFFAOYSA-N 443.524 6.636 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3F)n2Cc2ccco2)c1 9498292 CMMDVIPTQAACRL-UHFFFAOYSA-N 436.512 5.073 0 40 IKAB COc1ccc(Cl)cc1N1C[C@H](C(=O)Nc2ccc3c(c2)oc2ccccc23)CC1=O 9581464 HOEKCKWYBBSTNW-CQSZACIVSA-N 434.879 5.240 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](CC(C)C)n2nc(SCc3cccc(C)c3)nc2N1 9608543 BDVBVSQVSNXJDM-NRFANRHFSA-N 447.608 5.804 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 9613578 ITHDDLLGFHNAPP-UHFFFAOYSA-N 437.927 5.495 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C(C)C)cc1 9664076 LQDFCVCSYYYREF-UHFFFAOYSA-N 432.549 5.419 0 40 IKAB Cc1ccc2c(CC(=O)N(Cc3nnc(-c4ccccc4Cl)o3)C3CC3)coc2c1C 9671580 WLQSCRNPAYIBDU-UHFFFAOYSA-N 435.911 5.487 0 40 IKAB Cc1nnc(SCC(=O)N(Cc2ccc(F)cc2)C2CCCCC2)n1-c1ccccc1 9730083 GSGVBVSCLLOBGU-UHFFFAOYSA-N 438.572 5.168 0 40 IKAB Cc1csc(SCc2cc(=O)c(OC(=O)c3ccc(Cl)cc3Cl)co2)n1 9739633 FEMMJOJPWZZJPB-UHFFFAOYSA-N 428.318 5.223 0 40 IKAB CCCCn1c(-c2ccc(OCC)cc2)cnc1NCc1cc(OC)c(OC)c(OC)c1 9846069 BTZCXWCYXZZZAW-UHFFFAOYSA-N 439.556 5.387 0 40 IKAB COc1cc(CC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc(OC)c1OC 9988636 XXKDGGIPOINOGH-UHFFFAOYSA-N 427.884 5.339 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccs2)cc1 12192769 NBAXVZLVEBDJEJ-GHTZIAJQSA-N 425.351 6.061 0 40 IKAB Cc1ccc(C(=O)N(C)c2nc(-c3ccc4c(c3)CCCN4C(=O)C3CC3)cs2)cc1 12237223 OQKMBLHRJRKVOI-UHFFFAOYSA-N 431.561 5.084 0 40 IKAB COc1cccc(-c2nnc(SC[C@@H](O)c3ccccc3)n2-c2ccc(Cl)cc2)c1 12264713 VHAYJUALHNIUCX-OAQYLSRUSA-N 437.952 5.422 0 40 IKAB O=C(/C=C/c1cccnc1)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 12521651 MSROFARDGBEZGA-KPKJPENVSA-N 439.512 6.384 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)C13CC4CC(CC(C4)C1)C3)CC2 12569726 ZCVISYMJYWAPHE-TWSMWQQMSA-N 437.605 5.456 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCc4cc(=O)[nH]c5ccccc45)c23)C1 12639555 WUYZKAKNFMIOBM-ZDUSSCGKSA-N 433.602 5.827 0 40 IKAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(C)c2)CCC(=O)N1c1ccc(C)cc1 13039251 AVPSPJJCBUHCHH-RPLLCQBOSA-N 442.559 5.743 0 40 IKAB O=C(Oc1ccc(Br)cc1Cl)c1cc(-c2cccs2)nc2ccccc12 13134063 NUAAYYQRJIJQFN-UHFFFAOYSA-N 444.737 6.598 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 13498297 PRNOBTWELDKRJP-AREMUKBSSA-N 446.616 5.428 0 40 IKAB Nc1c(C(=O)Nc2ccccc2C(F)(F)F)sc2nc3cc4c(cc3cc12)OCCO4 13503456 LEKVHHGEDUBAOF-UHFFFAOYSA-N 445.422 5.074 0 40 IKAB Cc1ccc(-c2noc(-c3cc4nc(-c5cccs5)cc(C(F)(F)F)n4n3)n2)cc1 13644803 QOILIATUWMTUMA-UHFFFAOYSA-N 427.411 5.502 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)NCCSCc1ccc(Cl)cc1Cl 13716997 RJYBOFGMMBLNTB-UHFFFAOYSA-N 444.427 6.565 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1csc(-c2ccccc2)n1 13841806 LQKNLJXHMUKKQF-UHFFFAOYSA-N 428.970 5.463 0 40 IKAB Cc1ccccc1OCC(=O)Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl 13946081 JOAGDLVCTAVUEX-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)COc4ccccc4Cl)ccc3Cl)nc2c1 13946084 NUMDVCYZULEBHV-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB COc1ccc(C(=O)c2sc(-c3c(C)nc4sccn34)nc2-c2ccccc2)cc1 15912999 KSLOHVWIHHCFEB-UHFFFAOYSA-N 431.542 5.734 0 40 IKAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(-c4cc(Cl)ccc4Cl)o3)sc2c1 16321437 ZZMBHUNRHXBKDJ-UHFFFAOYSA-N 446.315 6.074 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccccc1Cl 16840611 NFBVKOLJUFHLOI-UHFFFAOYSA-N 444.947 5.934 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Cl)o2)c1 17097378 SSCJLLSHVVIYQW-UHFFFAOYSA-N 431.319 6.634 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1 17097636 LRDACWHDVAESLE-UHFFFAOYSA-N 431.561 5.118 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc2c(Cl)cccc12 17098311 JBISMCQNWNEPJI-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB CCOC(=O)c1ccc(N/C=C2/C(=O)N(c3cccc(Cl)c3)C(=O)c3ccccc32)cc1 17746640 ZWMYMMZBXUPTLT-PXLXIMEGSA-N 446.890 5.157 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 18152881 BPCKCISMEYBLFD-SGNDLWITSA-N 426.516 5.035 0 40 IKAB Cc1cc(C(=O)N2CCC[C@H]2c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)cs1 19571801 GELCUVVXSOMPJE-QFIPXVFZSA-N 441.560 5.629 0 40 IKAB O=C(Cc1ccc2c(c1)CCCO2)N1CCC[C@H]1c1ccc(Cc2ccc(F)cc2)cn1 19688540 XUMSBGHMKWBWGW-VWLOTQADSA-N 430.523 5.043 0 40 IKAB O=C(c1cccc2cccnc12)N1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692910 SIFSUDFISFEEDG-DEOSSOPVSA-N 443.934 5.088 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19849727 XLKVMADPKSYFGR-UHFFFAOYSA-N 432.567 5.901 0 40 IKAB COc1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)c(OC)cc1Cl 20040260 KLAQMUHBHGFPLC-UHFFFAOYSA-N 436.939 5.562 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 20452991 DIHAVTFLUYWUDY-QHCPKHFHSA-N 443.971 6.245 0 40 IKAB Clc1ccc(-c2n[nH]c(SCc3ccc(I)cc3)n2)cc1 20763639 DODSOFCWLUOHBW-UHFFFAOYSA-N 427.698 5.022 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@H]1c1cccc(Cl)c1 21005555 RNXGMCZHIWHKJK-QHCPKHFHSA-N 429.907 5.679 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc4ccccc4n4c(C)nnc34)c(C)o2)cc1 21658056 MHKNVTMOOPYZIY-UHFFFAOYSA-N 431.521 5.240 0 40 IKAB CCc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1 23623882 FUKWQYIARRPJGM-UHFFFAOYSA-N 444.556 5.384 0 40 IKAB COCCCn1c(SCc2coc(-c3cccc(Cl)c3)n2)nc2ccccc2c1=O 26014396 ZFGOWJOYVBEZCL-UHFFFAOYSA-N 441.940 5.034 0 40 IKAB CCCCCn1c(-c2ccccc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 26688734 CAUWYHUWNHYPAI-QPLCGJKRSA-N 431.561 6.485 0 40 IKAB CCOc1ccccc1C(=O)CSc1c(CC)c(C)nc2c(-c3ccccc3)c(C)nn12 27584871 DDFQJTYTCYRGLZ-UHFFFAOYSA-N 445.588 5.949 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc2c(c1)OCO2 27689245 BTFHONXGPVFKJV-LBPRGKRZSA-N 433.291 5.187 0 40 IKAB CC(C)c1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c[nH]c3ccccc23)cc1 28222689 DXQRKVMBLWBPLG-HHHXNRCGSA-N 437.543 5.865 0 40 IKAB C[C@H]1CCc2c(sc3nc(S[C@H](C)c4nnc(-c5cccs5)o4)nc(N)c23)C1 32741643 LJIHNCQMHZTZJI-VHSXEESVSA-N 429.596 5.363 0 40 IKAB Cn1c(SCc2ccccc2Cl)nc2c(sc(=S)n2-c2ccccc2)c1=O 32952550 VUKJXMRFTJGIKD-UHFFFAOYSA-N 431.995 5.461 0 40 IKAB COc1cccc(N2CCN([C@@H](C(=O)c3c(C)[nH]c4ccccc34)c3ccccc3)CC2)c1 37100523 QMBVBIABUPVZDO-HHHXNRCGSA-N 439.559 5.231 0 40 IKAB CCOc1c(Br)cc(CNc2cc(Cl)ccc2C)cc1Br 37184677 MESBDXILPZSBHO-UHFFFAOYSA-N 433.571 6.184 0 40 IKAB O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N(Cc1ccccc1)Cc1ccccc1 39748339 CUMNXNKDIISGGD-UHFFFAOYSA-N 432.995 5.781 0 40 IKAB Nc1c(-c2nc(-c3cccc(Cl)c3)cs2)nnn1-c1ccc(Oc2ccccc2)cc1 49421766 NNGXRQIPMBEQQE-UHFFFAOYSA-N 445.935 6.086 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)N3CCCCCC3)CC2)c1 57273600 MFLYCOVBAWSXGK-SANMLTNESA-N 447.623 5.098 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)/C=C/c1cc2ccccc2o1 67339296 ZNXMCDBOSWYYFA-VAWYXSNFSA-N 435.476 6.129 0 40 IKAB Nc1cccc(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)c1 72361042 HUUSGVMIXFRVQE-SFHVURJKSA-N 425.454 5.369 0 40 IKAB O=C(/C=C/c1ccccc1)NC[C@H]1CC[C@H](c2nnc(-c3nccc4ccccc34)o2)CC1 100219422 ZGKKQRINKCBVQG-DSKJWWGSSA-N 438.531 5.388 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(OC)cc3)CC(O)=C2[C@@H]1c1ccco1 100429432 CLGJGVPRZABLNA-CLYVBNDRSA-N 442.515 6.248 0 40 IKAB Clc1ccc2[nH]cc(CCn3c(-c4ccccc4)cs/c3=N/c3ccccc3)c2c1 101379491 CFOFZELIAOMFSP-AZPGRJICSA-N 429.976 6.826 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@@H]3ON2c2ccccc2)cc1 102734266 CZUDJILWSYVQCR-DNVJHFABSA-N 432.907 5.008 0 40 IKAB O=C1S/C(=C\c2ccc(Br)o2)C(=O)N1Cc1ccc(Br)cc1 106723750 KAQGMHKCDOFDGN-GHXNOFRVSA-N 443.116 5.041 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C2CCCCC2)c1C 223049742 KUECOBNSNQJEFV-XZOQPEGZSA-N 426.630 5.014 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccccc3F)CC2)cc1C(C)C 223350285 MWDWXDQZFXCPCZ-IBGZPJMESA-N 426.576 5.356 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224002908 RSULDWQZRIVVRB-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1 224069486 XPPMOQUYZXKDKC-MHZLTWQESA-N 442.603 5.094 0 40 IKAB CCOc1ccc(C(=O)Nc2c(CC)cccc2CC)cc1COc1ccccc1Cl 224483072 CNGSSBKSZJVSFS-UHFFFAOYSA-N 437.967 6.695 0 40 IKAB CCOc1ccc(CCC(=O)N[C@H]2CC(CC)(CC)Oc3ccccc32)cc1OCC 224596716 NJUVZNAGQHLMHK-NRFANRHFSA-N 425.569 5.615 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 224664423 DNXINLAGRLLJKJ-SFHVURJKSA-N 433.017 5.156 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCc1cccc2ccccc12 224809631 KNSFCNDPTPTNRM-IBGZPJMESA-N 436.983 5.369 0 40 IKAB CCOc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2OC)o1 224934029 SFVQHZWALPEQGS-UHFFFAOYSA-N 444.487 5.677 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(Cl)cc1 225095933 KLHNAGNQHWGVBI-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB C[C@H]1C[C@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225516081 AQRPQQBRGHZPTA-SFTDATJTSA-N 438.587 5.633 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 225582209 DCFJEYSKTKJLOD-AJTFRIOCSA-N 444.619 5.803 0 40 IKAB Cc1cc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)ccc1F 225605633 RSYAYMVDFFAIAB-UHFFFAOYSA-N 440.540 5.485 0 40 IKAB Cc1ccc2c3c(oc2c1)[C@H]1OCC2(CCN(Cc4ncccc4C)CC2)C[C@@H]1C(C)(C)C3 257279381 OGHIURSNSAYZAM-HOFKKMOUSA-N 444.619 6.387 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)[C@]4(C)CC[C@H]32)C1 257349129 LQYOPAXXSAPFCV-ADYCPGKUSA-N 442.728 8.061 0 40 IKAB COc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408572772 ICMIWDTZQLSNBK-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1cc(Br)ccc1NC(=O)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408639339 FPDDSINNTVXCJV-NSHDSACASA-N 442.140 5.056 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408699665 VNSBVEXDDOTQSR-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1ccc(C(=O)Nc2ccc3nc(SCc4ccc(C(=O)O)cc4)sc3c2)cc1 408750114 KMPHYRFSRRLSMG-UHFFFAOYSA-N 434.542 5.848 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(C(=O)c2ccc(Cl)cc2Cl)CC1 408971476 PCERRECUGLETJL-UHFFFAOYSA-N 445.268 5.503 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4ccc(C(=O)O)cc4[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)cc1 409001474 WCRFTXYLBXOVKK-BUFOOBCNSA-N 439.555 6.569 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1ccccc1F 409113755 FJDJXYXTASOGME-UHFFFAOYSA-N 444.344 6.486 0 40 IKAB CC(C)CN1C(=O)S/C(=C\c2cn(CCCOc3ccccc3)c3ccccc23)C1=O 409136580 XOZVIWQWJBPCFP-HAHDFKILSA-N 434.561 5.803 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccccc3)o2)C1=O 409153901 NYCGDZDLRFRNQQ-MOSHPQCFSA-N 432.501 5.238 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc(C)cc4)c4ccccc34)C2=O)cc1 409249783 VPCSXGRGADNPOO-MFKUBSTISA-N 435.527 5.399 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3Cc3ccc(C)nc3Cl)cs2)cc1 585295104 LWWZVPCKLWMWGQ-FQEVSTJZSA-N 441.000 5.652 0 40 IKAB CC(C)c1ccccc1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Oc1ccccc1 871691 PHOVBURROUESKW-RUZDIDTESA-N 441.531 5.630 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)Nc3ccc(F)cc3)c(=O)[nH]c2c1 874523 NYPHOVGTJLAJQO-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB Cc1nc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)sc1C 881413 ZMVYVXSXQRITNV-UHFFFAOYSA-N 433.562 5.010 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)cc3[nH]c2=O)c1 884476 KAVHAKGMBQGRCU-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB COc1ccccc1N1C(=O)C(Nc2ccc(C)cc2C)=C(Sc2ccc(C)cc2)C1=O 1809084 VXJCIVPEJLXMDC-UHFFFAOYSA-N 444.556 5.610 0 40 IKAB Cc1cc(N2CCC(Cc3ccccc3)CC2)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 2209362 HBQVTZFVLHMHLI-UHFFFAOYSA-N 430.983 6.126 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)cc1)N(CCCOC(C)C)C3=O 2421081 IQFYUSWPDBQCFL-OAQYLSRUSA-N 425.912 5.115 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccc(Cl)cc2)N2CCCCC2)c1C 2546445 WPFDHGLOCYBXTF-HSZRJFAPSA-N 439.024 6.846 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2cccc(Cl)c2)c1C 2546512 DKIITPOKZQDSDY-HSZRJFAPSA-N 447.991 6.867 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(F)c2)N2CCC(C)CC2)c1C 2546535 WRJCAZWZHRAVKZ-XMMPIXPASA-N 436.596 6.578 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)Nc3ccccc3OC)sc2c1 2654182 GAHQRJHANACLAM-UHFFFAOYSA-N 433.533 5.942 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4cccc(C)c4)cc2-3)OCO5)cc1 2687749 QBBZZFCBCAZLDK-UHFFFAOYSA-N 437.499 5.687 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1CCN(c2ccccc2Cl)CC1 3217363 IJPLJSQIKQCXJD-UHFFFAOYSA-N 448.979 5.217 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C(=C/c1ccc(OC)cc1)c1ccccc1 3247177 IFBNEYMZMDBHGO-CBTVAOKPSA-N 428.532 5.403 0 40 IKAB CC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(Cl)ccc1Cl 3276091 LGTGENZMPIFAOL-UHFFFAOYSA-N 438.332 5.360 0 40 IKAB O=C(CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)N1CCCCC1 3317874 JKSRFUTVTIGHPW-UHFFFAOYSA-N 448.636 5.632 0 40 IKAB Cc1cc(C(=O)COC(=O)CC(c2ccccc2)c2ccccc2)c(C)n1Cc1ccco1 3317999 WJVNJELRSMDPTH-UHFFFAOYSA-N 441.527 5.694 0 40 IKAB CC(C)(C)c1cc(CCc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 5355178 LRRMGPGVHYPBPL-UHFFFAOYSA-N 438.696 8.073 0 40 IKAB biogenic O=c1oc2ccccc2cc1-c1cn2cc(Cc3ccc(Cl)c(Cl)c3)sc2n1 6143843 GIFYTFFZLYDWTQ-UHFFFAOYSA-N 427.312 6.067 0 40 IKAB CC1CCN(CC(=O)N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@H]2c2ccccc2)CC1 6634565 BGWAFHYACKIQPE-LZMZUMLESA-N 427.592 5.542 0 40 IKAB Cc1nc(SCC(=O)N2CC[C@@H](C)Sc3ccccc32)n(C2CCCCC2)c1C 7988978 MXLQLHXSWUYXFT-MRXNPFEDSA-N 429.655 6.015 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 8832142 NQNUDBWQMOVQKU-UHFFFAOYSA-N 447.705 6.473 0 40 IKAB Cn1c(Sc2ccc(Cl)cc2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 8857349 CTBIPZMHKKPFEP-UHFFFAOYSA-N 427.356 6.889 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 9057160 ZXXKJQKVFZRRAS-UHFFFAOYSA-N 430.548 6.278 0 40 IKAB COc1ccccc1-c1cnoc1-c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1O 9129586 GOUFXEXGEUUHBZ-UHFFFAOYSA-N 442.298 6.609 0 40 IKAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)c2cc(-c3ccco3)on2)c1 9314473 VPGGUTVRUPILJT-UHFFFAOYSA-N 441.365 5.458 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1OC 9444115 UIOFFFGGPCFPKI-UHFFFAOYSA-N 445.544 5.492 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CCc3nc4ccccc4s3)cc2)cc1 9508365 YRGJNTZEYIJZDL-UHFFFAOYSA-N 445.544 5.519 0 40 IKAB CCN(C(=O)Nc1cccc(C(C)=O)c1)c1nc(-c2ccc(Br)cc2)cs1 9606915 PHHTXQFGXLMHIL-UHFFFAOYSA-N 444.354 5.834 0 40 IKAB CCCCc1ccc(Nc2nc(Nc3ccc(C)c(C)c3)nc(N3CCOCC3)n2)cc1 9708861 PHDQDDVIFPNHDJ-UHFFFAOYSA-N 432.572 5.155 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2ccccc2c1 9831927 MFQGGTNIUWQWMZ-GOSISDBHSA-N 442.588 5.327 0 40 IKAB O=C(c1ccccc1)c1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1 9950290 FCVMOMWZUQNOPN-OAQYLSRUSA-N 426.541 5.547 0 40 IKAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3cccc4ccccc34)c3ccccc32)cc1 10059217 OIBVCGZNTJQPJU-SSEXGKCCSA-N 449.550 5.800 0 40 IKAB C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccccc2)c1)c1ccc(C(C)(C)C)cc1 10112020 MVAKKMKGAPPHLB-GOSISDBHSA-N 436.577 5.276 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1C 10112102 PEIQAXRQWUHFMH-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)cc1 12193071 LYPPIHPRQAFBOM-NOZRDPDXSA-N 447.376 6.815 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)N(Cc2ccccc2Cl)c2ccccc23)cc1 12447767 WAUHMWKUQMKFPU-CRICUBBOSA-N 448.975 5.517 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2C)n1 12522983 UFLACYYFTSAXSK-CQSZACIVSA-N 440.960 5.480 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)CSc2nnc(C)n2-c2ccccc2)c1 12543384 ZKFGWCLSKWYYPU-UHFFFAOYSA-N 430.533 5.407 0 40 IKAB Cc1cc(Br)cc(Cl)c1OCC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12578497 XYWXUYUIGLIPPQ-QGZVFWFLSA-N 448.748 5.030 0 40 IKAB COc1ccccc1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)c1cccc(C)c1 12644393 ZWMHQSQFTCKMSQ-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB O=C(Nc1ccccc1OCC(F)(F)F)c1csc(COc2ccc(F)cc2)n1 13020416 LMMJTZNUNSXBLH-UHFFFAOYSA-N 426.391 5.055 0 40 IKAB Cc1ccccc1[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1cccc(F)c1 13502174 HLIUNUPMSKLXAV-VWLOTQADSA-N 445.538 5.366 0 40 IKAB CC(C)N1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 16837199 RPGYVTHNESFYPW-UHFFFAOYSA-N 439.631 6.105 0 40 IKAB CC1CCN(c2ccccc2NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)CC1 17096364 IRVNBMVAOPJZLJ-UHFFFAOYSA-N 429.347 6.742 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1)c1ccc(OCc2ccccc2)cc1 17097424 JJLTUUBDFCXADF-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB COc1ccc(-c2csc(-n3nc(-c4cccc(C)c4)cc3-c3cccc(C)c3)n2)cc1 17101582 VOOPETGNXKSXTF-UHFFFAOYSA-N 437.568 6.955 0 40 IKAB O=S(=O)(NCCSCc1cccc(Cl)c1)c1ccc(Oc2ccccc2)cc1 20045571 WSHUBRVOMLZARC-UHFFFAOYSA-N 433.982 5.344 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@@H](C)c2ccccc2)c1 20453505 CUCFMCGUOSZNHP-SFTDATJTSA-N 430.548 5.509 0 40 IKAB Cc1nn(-c2ccc(NC(=O)c3cccc(OC(F)(F)C(F)F)c3)cc2)c(C)c1Cl 20608130 GELRCLMRZGUYOE-UHFFFAOYSA-N 441.812 5.632 0 40 IKAB C[C@@H](SC1=Nc2ccccc2CS1)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 22022033 UMXLMMALPBNAPB-LLVKDONJSA-N 447.557 6.083 0 40 IKAB O=C(c1cccc(OCc2ccccc2Cl)c1)N(C1CCCCC1)C1CCCCC1 22258357 NPCJRYKMHSCUFW-UHFFFAOYSA-N 426.000 7.027 0 40 IKAB CC1CCN(Cc2ccc(C(=O)NCCSCc3c(F)cccc3Cl)cc2)CC1 22533418 ALGYBGXXMVXTKI-UHFFFAOYSA-N 435.008 5.374 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N(Cc1cccs1)Cc1cccs1 24467886 WFHKOFJCNSZKAP-UHFFFAOYSA-N 442.587 5.867 0 40 IKAB C[C@@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(F)cc1F 24831532 XVJLARYHOWOKBJ-LLVKDONJSA-N 431.895 5.434 0 40 IKAB CCC(=O)c1c(-c2ccccc2)c2c3n(c(COc4ccc(Cl)cc4)nn13)CCCC2 27526407 GSYMHICUJVCGRE-UHFFFAOYSA-N 433.939 5.964 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1 32112019 NVFGSOCHIHTBAJ-UHFFFAOYSA-N 441.940 5.321 0 40 IKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(I)c1 32127475 CPNUDZDSSUNEJU-UHFFFAOYSA-N 449.100 5.460 0 40 IKAB COc1cccc(CSc2nc3c(sc(=S)n3-c3ccc(C)cc3)c(=O)[nH]2)c1 32948583 KDDCDBTZBNJOGF-UHFFFAOYSA-N 427.576 5.114 0 40 IKAB O=C(O)CC/C(=C/c1cc2ccccc2nc1N1CCOCC1)c1nc2ccccc2s1 33531032 BHAKXGWEEXIMFM-VLGSPTGOSA-N 445.544 5.087 0 40 IKAB COc1ccc(-c2nsc3c(SCC(=O)Nc4ccccc4Cl)ncnc23)cc1 35289194 LZQGWAZUJGUMRO-UHFFFAOYSA-N 442.953 5.146 0 40 IKAB CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)c(-c3ccc(O)cc3)c[nH]c2=O)CC[C@H]1C 35801376 YDGOHTBOOYAVOP-JHHJLNCCSA-N 439.596 6.328 0 40 IKAB biogenic,in-vitro O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1SCc1cscn1 40042989 JXIZLLVKZGRDSU-UHFFFAOYSA-N 428.888 6.360 0 40 IKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(Oc2ccccc2)cc1 49005549 DDUVKLWKJFMLRS-UHFFFAOYSA-N 426.520 5.956 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(-c2ccccc2)cc1 57317019 OQZMLBAVYSXQKA-UHFFFAOYSA-N 432.317 6.306 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)c1 57317331 HGCWLHMPRSLNKB-GFCCVEGCSA-N 444.856 5.036 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2ccc(Nc3cccc(C)n3)cn2)cc1 72353247 DBSLCNJEYVIYDA-HSZRJFAPSA-N 430.552 5.179 0 40 IKAB CC(C)c1nc2cc(N(C)C(=O)Cc3csc(-c4ccccc4Cl)n3)ccc2o1 95465478 MITGNXSCKZPIML-UHFFFAOYSA-N 425.941 5.934 0 40 IKAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1Br)c1cccc(C(F)(F)F)c1 95469225 SOMRDGGWTCCJPR-LBPRGKRZSA-N 438.247 5.145 0 40 IKAB c1ccc(-c2nnc(Sc3ncnc4sc5c(c34)CCCC5)c3ccccc23)cc1 96305901 UMEHJBHAFUNAJF-UHFFFAOYSA-N 426.570 6.332 0 40 IKAB O=C(Nc1ccc(Br)cc1)Nc1c(NC2CCCC2)c2ccccc2oc1=O 96315520 OOLGIYBIEWAFMR-UHFFFAOYSA-N 442.313 5.554 0 40 IKAB COc1ccc(-c2nc(Nc3cc(Cl)cc(Cl)c3)sc2CC(=O)O)cc1OC 96592466 ABHXDMBNTJDYLY-UHFFFAOYSA-N 439.320 5.505 0 40 IKAB Ic1ccc(C2=C[C@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 100766398 BSUYEIQQKYFQOV-OAQYLSRUSA-N 449.295 5.697 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(NC(=O)c4ccccc4)ccc23)C1 101642662 MWHQGYKRJHROFV-HLULCQHTSA-N 445.563 5.447 0 40 IKAB 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]3OC(C)=O 118924478 PMJBQFRZSVOFFB-BXXIHELYSA-N 448.644 5.137 0 40 IKAB Cc1cc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2nc1-c1ccccc1 215735667 HLIHQHSHRICISL-UHFFFAOYSA-N 443.450 6.005 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224211062 VVHPKVHDWZSQGC-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCCOc1ccccc1 225024477 PMBZOXRQBVQYTK-RUZDIDTESA-N 436.596 5.102 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)cc(Cl)c3)cc2)c(C)c1 225056020 SYDBPBAWDNWYDV-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCCc1ccc(NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(OC)c(OC)c2)cc1 225187049 KDNKTCKUAIWCFQ-XLNRJJMWSA-N 448.519 5.049 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccccc1C(C)(C)C 225490152 CUFBCLWSPFIGHW-NFBKMPQASA-N 438.612 5.085 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 225670953 IGYACDGNAJAANE-VGSWGCGISA-N 449.422 5.648 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NC(c1ccccc1)c1ccccc1 225830165 UKJZRYOJQTZPJO-UHFFFAOYSA-N 433.511 5.728 0 40 IKAB CCCOc1ccc(S(=O)(=O)Oc2c(Cl)cc(Cl)c3cccnc23)cc1C 231425360 LPOKUQHCOCCLTG-UHFFFAOYSA-N 426.321 5.407 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ccncc3c2)CC1)C1(c2ccccc2)CCOCC1 257261956 LJLLNGYJURBXGW-JOCHJYFZSA-N 428.576 5.154 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2c(C)cccc2CC)cc1NC(=O)c1ccccc1 408555803 GKFWLJPSBCPVEK-UHFFFAOYSA-N 438.549 5.009 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc(Cl)c1O[C@H](C)CC 409016731 VNKSSCCLQRKNDH-HIPSJFSSSA-N 446.906 5.148 0 40 IKAB Cc1ccccc1NCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Cl)c1 409121092 YDKWIECAAGGPDI-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB CCn1c(COc2ccc3ccccc3c2C)nnc1SCC(=O)Nc1cccc(C)c1 409342989 CEMODZIILWTTGA-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3cc4cc(Cl)ccc4o3)n2C)c1 409346910 OZGJPWNAQZNHIL-UHFFFAOYSA-N 426.929 5.229 0 40 IKAB CCCCOc1ccc(-c2n[nH]cc2-c2nc(-c3ccc(OCC)c(OC)c3)no2)cc1 1889302877 LTMAQDCZIQFDAQ-UHFFFAOYSA-N 434.496 5.380 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)cc2)cc1 841568 XGJPOTDOGPDNLT-UHFFFAOYSA-N 447.494 5.928 0 40 IKAB Fc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(Cl)cc2)N2NC=NC2=N3)cc1 843540 QIPZVDQHCSKCMN-PKTZIBPZSA-N 430.870 5.283 0 40 IKAB CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@H]3C(F)(F)F)cc1 865630 YCRMEZZFHQVJSC-IRXDYDNUSA-N 448.876 6.012 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2ccc3oc(-c4cccc(C)c4C)nc3c2)c1 1413984 HVXAAHFFVGTVAP-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB Cc1cc(C)c(C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1778139 XUMFXHNLDOCCJA-UHFFFAOYSA-N 432.951 6.111 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc(C)c1-c1ccc(Cl)cc1 2107890 JNVLGZKCCOBTKT-UHFFFAOYSA-N 448.371 6.849 0 40 IKAB COc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccccc2)cc1 2390404 YCEOSHZOOKJJMS-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccc(Cl)cc3)ccc12 2425598 QCIDEUUCEAYCLK-UHFFFAOYSA-N 430.809 6.711 0 40 IKAB biogenic CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4C)c3)nc2c1 2593785 QKQUCEHQXAGKBT-INIZCTEOSA-N 448.950 6.988 0 40 IKAB Cc1ccc(NCc2nnc(SCC(=O)c3ccc(Cl)cc3)n2-c2ccccc2)cc1 2684281 LHTMLHVIHWELSZ-UHFFFAOYSA-N 448.979 5.816 0 40 IKAB COc1ccc2ncc(C(=O)c3ccc(C)cc3)c(S(=O)(=O)c3ccc(C)c(C)c3)c2c1 2713726 OQZQUQPEXOLXFX-UHFFFAOYSA-N 445.540 5.232 0 40 IKAB O=C(NCCOc1ccccc1)c1cc(-c2ccccc2)nc2ccc(Br)cc12 3669970 NBWDLQWAQJFCTN-UHFFFAOYSA-N 447.332 5.473 0 40 IKAB CC(C)(C)P(=NC(=S)N1CCOCC1)(N1CCCCCC1)N1CCCCCC1 5446707 HPCGMNHNLWEUNI-UHFFFAOYSA-N 428.627 5.185 0 40 IKAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(C(C)C)oc2cc1OC(=O)C(C)(C)C 6143316 VXMXNVJEHFFELV-UHFFFAOYSA-N 446.547 5.984 0 40 IKAB biogenic O=C(CSc1ncc(-c2ccc(Cl)cc2)[nH]1)N(C1CCCCC1)C1CCCCC1 6445732 DJDCLSQSENCYQE-UHFFFAOYSA-N 432.033 6.316 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 8722386 RQAOAQLTXBGWLD-OVWNDWIMSA-N 433.360 6.294 0 40 IKAB CCOC(=O)c1c(C)oc2c(Cl)cc(NS(=O)(=O)c3ccc4ccccc4c3)cc12 8765711 TVSKCZXXJMLGSV-UHFFFAOYSA-N 443.908 5.525 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OC(=O)CCC3CCCC3)cc12 9044042 BLOHRKDKRBBCNI-UHFFFAOYSA-N 436.504 6.161 0 40 IKAB biogenic CCc1ccccc1NC(=O)[C@H]1CCC(=O)N(c2ccc(OC)cc2)[C@@H]1c1ccccc1 9056665 XISQUFYSDMNNIZ-JYFHCDHNSA-N 428.532 5.381 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)C1CCN(Cc2ccc(F)cc2)CC1 9063622 BSNZRWRPFBXSQR-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB COc1ccc(/N=c2\cc(-c3cc(OC)c(OC)c(OC)c3)oc3ccccc23)cc1OC 9186349 BMFRJBVAMBRAMY-ZXVVBBHZSA-N 447.487 5.375 0 40 IKAB CN(C)c1ccc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1 9363727 SAQPVJYEJVRQHB-UHFFFAOYSA-N 427.529 5.359 0 40 IKAB COc1ccccc1Oc1cncnc1-c1ccc(OCc2ccccc2Cl)cc1O 9409949 WDDKEFZVJRAMQY-UHFFFAOYSA-N 434.879 5.883 0 40 IKAB biogenic COc1ccccc1C(=O)CSc1cc(C(C)(C)C)nc2c(-c3ccccc3)c(C)nn12 9450507 GILBGCNWHRYXCL-UHFFFAOYSA-N 445.588 5.986 0 40 IKAB COc1cccc(Nc2nc(NCCc3ccccc3)nc3c2cnn3-c2ccccc2)c1 9573612 DEZCLSMWGDYGQV-UHFFFAOYSA-N 436.519 5.222 0 40 IKAB COc1cc(CN(C)[C@@H](C)c2nnc(-c3cccs3)o2)ccc1OCc1ccccc1 9594033 MIBRUQQVLQDCNO-KRWDZBQOSA-N 435.549 5.579 0 40 IKAB CCCC(=O)Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1 9601310 GRJFROGEVHSCSO-UHFFFAOYSA-N 427.298 5.700 0 40 IKAB Nc1nnc(Sc2nc(CSc3ccccc3)nc3sc4c(c23)CCC4)s1 9745444 UPKNZVOYQRWLIN-UHFFFAOYSA-N 429.621 5.057 0 40 IKAB CCOC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CCCC2 9763487 CHFUXMVFNXVSKN-UHFFFAOYSA-N 433.529 5.680 0 40 IKAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCC[C@@H](c2nc3ccccc3s2)C1 9963846 DYMVSNSIRYRSKL-IEBWSBKVSA-N 449.620 5.118 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCSc3ccc(F)cc3)n2)cc1OC 10218095 ATMTXGJISOLBNS-UHFFFAOYSA-N 432.542 5.477 0 40 IKAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)c1ccc(NC(=O)C2CC2)s1 11836655 ZLAOKFCVIBQRSX-UHFFFAOYSA-N 442.487 5.541 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4cccc(F)c4)n3)ccc21 12220040 BDECQBPDAQZASK-UHFFFAOYSA-N 437.540 5.161 0 40 IKAB CC[C@@H](C(=O)Nc1cc(C)nn1-c1nc(-c2ccc3c(c2)OCO3)cs1)c1ccccc1 12442355 YRJHIHACYFQHIK-GOSISDBHSA-N 446.532 5.165 0 40 IKAB Cc1cccc(NC2=C[C@@H](c3ccc4oc5ccccc5c4c3)N(c3cccc(C)c3)C2=O)c1 12462841 WVSVUFLYUPAIKE-MHZLTWQESA-N 444.534 7.287 0 40 IKAB CCc1noc(CSc2nc3sc(-c4ccccc4)cc3c(=O)n2-c2ccccc2)n1 12749543 APLRNDSIQJSZBY-UHFFFAOYSA-N 446.557 5.352 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4c(Cl)cc(Cl)cc4c3=O)c2cc1C(C)C 12822063 UYKNICPAVQKHHV-UHFFFAOYSA-N 429.303 5.290 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2ccc(OC)c(Br)c2)c1 12843178 MUQYGQMIRABCFZ-UHFFFAOYSA-N 425.710 5.102 0 40 IKAB CCOc1ccc(-c2cc(OC)c3c(C)oc(C)c3/c(=N/c3ccc(C)c(C)c3)c2)cc1 12860781 GQWFMFBGQJHWNG-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic COc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2)cc1 13026663 KLKAAWIABXSTRJ-XMMPIXPASA-N 432.520 5.044 0 40 IKAB CN(Cc1ccccc1)Cn1nc(-c2ccc(Cl)cc2)n(Cc2ccccc2)c1=S 13071630 NSZHYDDFXZHETD-UHFFFAOYSA-N 434.996 5.872 0 40 IKAB Cc1ccc(C)c(N2CCN(C(=O)c3cc4sccc4n3Cc3ccccc3)CC2)c1 13083055 GTGFPGXMPZCUDO-UHFFFAOYSA-N 429.589 5.330 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@H]1c1ccccc1 13408849 SSHZMKOIMDTLHW-VFRYSNAESA-N 446.631 6.541 0 40 IKAB biogenic Clc1ccc(CSc2nnc(CNc3ccccc3Cl)n2-c2ccccc2)cc1 13496041 YDYDUXUMIZOPRQ-UHFFFAOYSA-N 441.387 6.479 0 40 IKAB Cc1cccc2cc(CN(C3CCCC3)[C@H](c3nnnn3C3CCCC3)C(C)C)c(=O)[nH]c12 13500605 HDZJPZWRVUTDQT-DEOSSOPVSA-N 448.615 5.080 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=S)NC(=O)c3ccccc3F)c2)cc1 13628824 ILKJKFCTIKSEKC-UHFFFAOYSA-N 449.551 5.502 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 13687784 URTGBULHBCOMGN-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccccc1Cl 14068059 GGIWUHIBWLDBON-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCCc3nc4ccccc4s3)ccc2OC)cc1 14084257 KRPQFEAUSDIJMS-UHFFFAOYSA-N 432.545 5.942 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccccc1SCC(=O)N1CCCC1 14198209 XRHMMUYXZWUCAL-UHFFFAOYSA-N 446.572 5.232 0 40 IKAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C 14357040 XQQRZJNAYJNLCY-QRVBRYPASA-N 438.593 5.164 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1c2c(nc3ccccc13)CCC2 14673203 ZZYFDQMENXCOIZ-UHFFFAOYSA-N 437.330 5.527 0 40 IKAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(F)cc3Cl)nc2n1 15009878 VDEGGEITLCGLFP-UHFFFAOYSA-N 441.919 5.078 0 40 IKAB Cc1ccc(N2CC(=O)N(c3cccc(C)c3C)[C@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413082 XRVSENZFNOGMKS-HHHXNRCGSA-N 426.560 5.856 0 40 IKAB O=C(Nc1cccc(-c2csc(NC(=O)c3ccc(F)cc3)n2)c1)c1ccc(F)cc1 15634708 SYMZYUSHECHAQD-UHFFFAOYSA-N 435.455 5.593 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nc2ccccc2n1CCc1ccccc1 15912960 WQUYIBRIFGZBNA-FQEVSTJZSA-N 443.616 6.523 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)c1 16789501 SCXRKTYLLMVGRB-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1cccc(-c2nc3ccccc3s2)c1 17201262 PUAQPKJOERTURH-UHFFFAOYSA-N 442.949 5.029 0 40 IKAB COc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC1)CCCC2 19082011 GNZBKWQBIWCSPJ-AREMUKBSSA-N 449.639 5.085 0 40 IKAB CSc1cccc(NC(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)ccc2Cl)c1 19170811 CGWGTCJBRDUXGY-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3cc(Cl)cc(Cl)c3)C2)n1 19286821 SHCXQQDMFXWICM-MRXNPFEDSA-N 427.335 5.174 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294119 OUPZOOKRLHQXKL-MBSDFSHPSA-N 443.526 5.441 0 40 IKAB COc1c(Cl)cc(Cl)cc1C1N(Cc2ccccc2)CCN1Cc1ccccc1 19322472 JLBQZCYZKURYCT-UHFFFAOYSA-N 427.375 6.019 0 40 IKAB O=C(c1ccccc1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19368768 NTMCVYVIKMIVEH-HSZRJFAPSA-N 439.494 5.399 0 40 IKAB CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)s1 19632230 VXGXKPBCEDMZSK-RGEOSTQVSA-N 440.565 5.199 0 40 IKAB NC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCCC2 19633408 HPYOYGBNFICREZ-UHFFFAOYSA-N 441.380 5.220 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)cc1 19634164 DFBIXBVJXKHURS-SFHVURJKSA-N 441.527 6.299 0 40 IKAB CNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCCCC2)CC1 19700039 PTZBBKFRLACSJM-UHFFFAOYSA-N 432.608 5.140 0 40 IKAB CC(C)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 19851204 MXDWGGPCECHONE-INIZCTEOSA-N 426.651 6.346 0 40 IKAB CCn1c(SCc2cccc(Br)c2)nnc1-c1cc(OC)cc(OC)c1 19928906 PKDWAFQJJGIAOR-UHFFFAOYSA-N 434.359 5.037 0 40 IKAB COc1ccc(S(=O)(=O)c2cnc3ccc(Cl)cc3c2N2CCCC[C@@H]2C)cc1 20381800 JQWLNIKOJZUWLS-HNNXBMFYSA-N 430.957 5.108 0 40 IKAB Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCC(C)CC2)cc1 20459340 HVVMQEHLISSRPK-UHFFFAOYSA-N 448.348 5.084 0 40 IKAB CC(C)(C)c1ccc(CN2C(=O)N(Cc3ccccc3)S(=O)(=O)c3ccccc32)cc1 21658081 WDXCSMNMXJIXIJ-UHFFFAOYSA-N 434.561 5.315 0 40 IKAB NS(=O)(=O)c1ccc(-c2cc(-c3ccccc3Cl)c3cc(Cl)ccc3n2)cc1 22461158 ZEEXYLMJHCZWHV-UHFFFAOYSA-N 429.328 5.523 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1C 24298671 RAKDUGUETZUNQV-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB CCn1c2ccccc2c2cc(NS(=O)(=O)Cc3c(Cl)cccc3Cl)ccc21 26111091 MDVDZTKLTYFADV-UHFFFAOYSA-N 433.360 6.063 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C)nc3c(-c4ccccc4)c(C(F)(F)F)nn23)cc1 27585657 JCRYMCBTXFANMF-UHFFFAOYSA-N 425.414 5.426 0 40 IKAB O=c1oc2cc(Br)ccc2n1CN1CCCC[C@@H]1c1nc2ccccc2s1 29500682 NCXRWTNWMJJOFC-MRXNPFEDSA-N 444.354 5.151 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccccc1 31082146 NZBHYCWHJVPVHJ-UHFFFAOYSA-N 440.540 5.092 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 32118929 ZRXRSIUBMNFFCD-DUXPYHPUSA-N 436.147 5.532 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2CN(C)C2CCCCC2)cc1Br 32903624 QDJSLGWUQFMIKL-UHFFFAOYSA-N 431.374 5.475 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(Cc3cccs3)C(=O)c3cccnc3)cc2c1 35312822 RMSXXRXLYXIOKB-UHFFFAOYSA-N 437.952 5.586 0 40 IKAB Cc1sc2nc(SCC(=O)c3cc(C)n(C4CC4)c3C)n(C(C)C)c(=O)c2c1C 36821693 BJCYFRQCHJZLLL-UHFFFAOYSA-N 429.611 5.384 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c(OC)c1 59294050 OHFSJCWGCAQKFN-UHFFFAOYSA-N 445.302 5.515 0 40 IKAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cccc(Cc3ccccc3Cl)n2)cc1 72358095 FTLOJJBQPQBWOE-DEOSSOPVSA-N 433.939 5.262 0 40 IKAB CCc1nnc(Nc2cccc([C@@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)s1 72375367 MHKUYUWABSGWKF-KRWDZBQOSA-N 433.537 5.271 0 40 IKAB Cc1ccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccc(Cl)cc5)cc34)co2)cc1 96037809 ODDFYMIHQXNSKE-UHFFFAOYSA-N 443.890 6.042 0 40 IKAB C[C@H](NC(=O)C(C)(C)Oc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1nc2ccccc2[nH]1 96345304 MLQZFZYFTOXQGC-BBRMVZONSA-N 432.351 5.259 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(Cc4c(F)cccc4Cl)C3=N)n2)cc1 102718315 VVKOFCJQZBCLGX-UHFFFAOYSA-N 429.904 5.373 0 40 IKAB Fc1ccc(C2=NN3[C@H](c4cc(F)ccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 106937288 WHKFWYWQPHNMPH-IRLDBZIGSA-N 431.269 6.514 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 222607076 CWLZEIAMLOHYLG-HSZRJFAPSA-N 444.616 5.008 0 40 IKAB O=C(CCc1cccc2ccccc12)N1CCN(C(c2ccccc2)c2ccccc2)CC1 222667045 CIRRRXKNITXOJP-UHFFFAOYSA-N 434.583 5.706 0 40 IKAB COC(=O)c1c(NC(=O)CSCc2ccc(Cl)cc2Cl)sc2c1CCCC2 222719900 YJPWWDGVSUKGSB-UHFFFAOYSA-N 444.405 5.592 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222826911 JGVYVSVOHKLILE-GOSISDBHSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 222998443 ARCCXUOUAUZZNS-OAQYLSRUSA-N 426.626 5.119 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2cc(Cl)ccc2OCc2ccccc2)c2ccccc2O1 223106660 ODPNTXZQJNEOKU-HSZRJFAPSA-N 449.978 6.731 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 223668322 NEELQNYYMTXZNA-QFIPXVFZSA-N 445.003 5.003 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 224244504 YYPQHAXGAQOQOE-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 224526290 RDYVBPFVQOFIGJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224536033 TWKGGDCLLDRBBY-OAHLLOKOSA-N 446.981 5.260 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 224566283 IOXLJLUOENRXQW-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 224570563 DKWMKPHRRXQCPW-HSZRJFAPSA-N 440.631 6.195 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1ccc(OC)cc1 224605172 RMJCCMHHTDRWFE-KRWDZBQOSA-N 439.939 5.817 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2c(F)cccc2Cl)CC1 224884836 BPPXUNXOPNCLPQ-UHFFFAOYSA-N 430.829 5.228 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225040538 PWSGRMKJIDNLGN-SFTDATJTSA-N 438.612 5.003 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(Br)cc2F)c2ccccc2)c1 225699948 COZKVJSMDRPYBO-HXUWFJFHSA-N 429.358 5.973 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 225720975 MCMTXLBYJAKEIY-JOCHJYFZSA-N 447.044 5.463 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225721114 MQLAVBDEQCCJOP-HSZRJFAPSA-N 426.626 5.118 0 40 IKAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3cccc(Cl)c3)CCCC2)n1 225981209 NRGOFGSCWIHTRG-UHFFFAOYSA-N 444.048 5.227 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@@H](c2ccccc2)N3)cc1 245312582 WCEDYHUUIUESKE-HNDRIHRZSA-N 436.599 7.359 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)N3CCCC(C)(C)C3)CCOCC2)cc1 257200797 AEYVEKZJRQPOFM-UHFFFAOYSA-N 439.571 5.489 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C(C)C)c3ccccc23)C1 257206090 BBUQVGSCWZCUKA-SFHVURJKSA-N 431.605 5.786 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCc3nc(O)c4ccccc4n3)n2)cc1 408580802 DZEIVENAEMDMIF-UHFFFAOYSA-N 444.438 5.112 0 40 IKAB COc1ccc(Cl)cc1-c1nc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)n[nH]1 408633204 XBNYNNZKFZXDFN-ZDLGFXPLSA-N 429.929 5.475 0 40 IKAB O=C(NC1CCCCC1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408692804 VVWUNDMPWHANHD-UHFFFAOYSA-N 449.769 5.957 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408694317 IWUHMKNMNMQCGY-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(Cl)c3C)n2)c1 408697399 HADQGJRPYCBYIY-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)cc1OC 408809075 HHLYFNKPOIYBQB-UHFFFAOYSA-N 431.965 5.599 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N1CCc1ccccc1 409004383 AWMIUWXWZROTHQ-MOSHPQCFSA-N 444.339 6.532 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1ccccc1Cl 409015553 SLXOBUIIWHHSNZ-NWGMWSOJSA-N 445.968 6.153 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CCCc1ccccc1 409135755 QMRSJEYWZIBBGP-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3coc4c(Cl)cc(Cl)cc4c3=O)C2=O)c1 409369290 ANKJKBHBXSWWFK-FMQZQXMHSA-N 446.311 5.645 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3ccc(N4C[C@H](C)O[C@H](C)C4)cc3)c2C)cc1 643551958 VFBDBWDWHILOFY-KDURUIRLSA-N 430.548 5.537 0 40 IKAB COc1ccc(C(F)(F)F)cc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 660293 FDXSHPYFHMBWJI-UHFFFAOYSA-N 449.479 5.887 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1ccc(COc2ccccc2Br)o1 667846 RNGLCZFJHZQHJY-CQSZACIVSA-N 444.300 5.742 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc(C(=O)Nc2ccccc2Cl)c1C 871430 NRLYUPVMKHQHFB-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1 1352818 NKLCZTPUTQMWDO-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(F)c2)c1 1359132 RKBDBLXJFSADDK-UHFFFAOYSA-N 428.507 5.169 0 40 IKAB CCS(=O)(=O)c1ccc(-c2cnc(-c3ccc(OC)cc3)s2)c(Cl)c1Cl 1393808 INBNBQFUBFISKU-UHFFFAOYSA-N 428.362 5.586 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)Cn1nnc2sc(-c3ccccc3)cc2c1=O 1784875 FQUGBUJFNHDOHP-UHFFFAOYSA-N 446.576 5.406 0 40 IKAB COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 2086239 CQZHSKLUQAPMOV-CSKARUKUSA-N 446.355 6.469 0 40 IKAB Cc1cc(C)n(Cc2ccc(-c3nc4c5c(-c6ccccc6)c(C)sc5ncn4n3)o2)n1 2792103 POFRNZRVTOKKJZ-UHFFFAOYSA-N 440.532 5.436 0 40 IKAB Cc1cc(C)nc(SCc2nc3ccccc3c(=O)n2-c2cccc(C(F)(F)F)c2)n1 3027562 UFAGHKMXGIDMPT-UHFFFAOYSA-N 442.466 5.104 0 40 IKAB O=C(Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1)c1cc2ccccc2oc1=O 3172557 XCFKDFGKWFPFQZ-UHFFFAOYSA-N 430.407 5.111 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2ccc3ccccc3n2)c2ccccc2)cc1Cl 3224080 DYNSFRVPAPRLEC-QHCPKHFHSA-N 430.891 5.733 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1cc(C(F)(F)F)ccc1Cl 3228531 INWFAFRRDPFKHH-UHFFFAOYSA-N 438.833 5.345 0 40 IKAB CCC(CC)(C(=O)Nc1ccc(OC(F)F)cc1)C(=O)Nc1ccc(OC(F)F)cc1 3236237 ORBKLWLRAJKVTP-UHFFFAOYSA-N 442.409 5.273 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C(C)(C)C 3364906 FKAWIYKDVRKMKS-IBGZPJMESA-N 426.910 6.732 0 40 IKAB O=C(CS[C@H](c1ccccc1)c1ccc(Cl)cc1)OCC(=O)c1ccc(F)c(F)c1 3443963 BWQXWQDXXKFVBW-HSZRJFAPSA-N 446.902 5.867 0 40 IKAB CC(C)=CCCC1=CCC2(COC([C@H]3CC=C(CCC=C(C)C)C[C@H]3C)OC2)[C@@H](C)C1 4025313 MFGNVTISQZYJEE-MHDKWGHQSA-N 426.685 8.167 0 40 IKAB biogenic COc1ccc(CN(CC[C@H]2CC(C)(C)OC[C@H]2c2ccccc2)C(C)=O)cc1OC 4616543 KWLNJGMDUQTJML-GOTSBHOMSA-N 425.569 5.041 0 40 IKAB O=C1c2ccccc2C(=O)N1c1ccc2nc(SCc3cccc(Cl)c3)sc2c1 8438337 LBFNIGXMNBGYOI-UHFFFAOYSA-N 436.945 6.043 0 40 IKAB COc1cccc(-n2c(SCc3ccccc3C)nc3c([nH]c4ccccc43)c2=O)c1 8601083 SAZHOKRGYUCIBS-UHFFFAOYSA-N 427.529 5.476 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2OC32CCN(Cc3ccccc3)CC2)cc1 8717695 XAWWOBYQYQZUNV-SANMLTNESA-N 439.559 5.231 0 40 IKAB COc1ccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1OC 8772050 CLFYILNJUVLDCR-IBGZPJMESA-N 434.923 5.400 0 40 IKAB C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2ccccc2c1 8772249 NJJDBCGAWXCDKW-OAHLLOKOSA-N 434.590 5.538 0 40 IKAB O=C(Nc1ccc(NC(=S)NC(=O)c2ccccc2Cl)cc1)c1cc2ccccc2o1 8831439 HQDHNIHFPBTNJR-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1Cl 8902681 REZKANMAQMRTTD-UHFFFAOYSA-N 427.869 5.056 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 9517988 LUHJPBCOAZEUAC-UHFFFAOYSA-N 431.920 5.208 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 9578707 NJRVOFFXSFPFDT-QFIPXVFZSA-N 448.617 5.556 0 40 IKAB O=C(NCc1cn(Cc2ccccc2)nc1-c1ccccc1)c1ccccc1Br 11339566 QTZAKOGWYYISAR-UHFFFAOYSA-N 446.348 5.291 0 40 IKAB CC[C@@H](C)c1ccc(OCCn2c(CN(C)C(=O)c3ccco3)nc3ccccc32)cc1 11667153 IUJSUVZZFLENHN-LJQANCHMSA-N 431.536 5.494 0 40 IKAB CCOc1ccc(NC(=O)CCCCCN2C(=O)c3cccc4cccc(c34)C2=O)cc1 11847394 RDWMZULSHJCASY-UHFFFAOYSA-N 430.504 5.034 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)c1 12178914 KNCRPDRDNIWKCH-UHFFFAOYSA-N 443.834 5.148 0 40 IKAB O=C(CCc1nnc(-c2cccc(C(F)(F)F)c2)o1)Nc1cccc(Br)c1 12227024 RKELAZBEXGFZSY-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB Cc1ccn2c(NC(=O)COc3cccc(Br)c3)c(-c3ccccc3)nc2c1 12596486 OTZOPHJUHVXPGW-UHFFFAOYSA-N 436.309 5.090 0 40 IKAB O=C(COc1cccc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 12623572 HKJSOSHVDAYWJD-QFIPXVFZSA-N 430.891 5.843 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)OCCOc3ccccc3)[C@@H]2c2cccs2)cc1 12630560 YIZFEFYPIFJWLF-ZJSXRUAMSA-N 435.545 5.163 0 40 IKAB CC(C)[C@H](NC(=O)Cc1coc2ccc3ccccc3c12)c1ccc2c(c1)OCCCO2 13095955 WYHITTLVCCJWOZ-MHZLTWQESA-N 429.516 5.803 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccc4c(c3)OCO4)=NN1[C@@H](c1ccccc1Cl)O2 13769225 DGMWSJJKDLUBRZ-AUSIDOKSSA-N 439.298 5.964 0 40 IKAB COc1cccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN23)c1 13786155 SWPZOBJVMLVQAG-NQIIRXRSSA-N 441.350 5.762 0 40 IKAB COc1ccc(NC(=O)[C@H](C)SCCCC(=O)Nc2c(C)cccc2C)cc1Cl 15491960 CXPJODPSBJFLNN-INIZCTEOSA-N 434.989 5.445 0 40 IKAB COc1ccc(Cl)cc1NC(=O)Cn1c(-c2nnc(CC(C)C)o2)cc2ccccc21 15881595 MKXXHRRKIXPRFR-UHFFFAOYSA-N 438.915 5.191 0 40 IKAB Cc1ccc2oc(-c3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3)nc2c1 16348437 CMMYHKOJJZZJEA-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 16691525 WGILVFNOZZELQO-UHFFFAOYSA-N 427.287 6.453 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3cc4ccccc4oc3=O)c2)c1 17095878 WMICVGATPIIJPD-UHFFFAOYSA-N 428.513 5.204 0 40 IKAB CCN1CCc2c(sc(NC(=O)c3cccs3)c2-c2nc3ccccc3s2)C1 17288798 AIPNKSNMEXCKPX-UHFFFAOYSA-N 425.604 5.717 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 17344580 XOZJEVZFUAUMRR-KRWDZBQOSA-N 435.574 5.554 0 40 IKAB CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccccc2)C1 19449396 OKGUFKLIIIZCAT-AREMUKBSSA-N 432.589 5.015 0 40 IKAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCN2Cc2ccc3ncccc3c2)n1 19687422 KRDDMDGBAAWLPX-DEOSSOPVSA-N 427.527 5.234 0 40 IKAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 19688182 MEZFSIIQFAMADH-HXUWFJFHSA-N 443.497 5.519 0 40 IKAB COC(=O)c1c(-c2ccc3ccccc3c2)csc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 20220608 NPOSEQSFOMKTER-BWPNAZKDSA-N 449.528 5.040 0 40 IKAB CCOc1ccc(C(=O)c2sc3nc4c(cc3c2N)CN(Cc2ccccc2)CC4)cc1 20348165 UEKISVIZWZBIQO-UHFFFAOYSA-N 443.572 5.067 0 40 IKAB CC(C)Sc1ccc(C(=O)N(CCn2cccn2)c2nc3c(F)cccc3s2)cc1 23144918 CMWKKPZPXNVFEF-UHFFFAOYSA-N 440.569 5.479 0 40 IKAB COC(=O)c1c(NC(=O)CSCc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 30848230 DWJZKXATMASEQX-UHFFFAOYSA-N 444.405 5.592 0 40 IKAB CCCN1C(=O)/C(=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)c2cc(C)ccc21 33435803 JHHRPEQETMXOSF-HAVVHWLPSA-N 435.527 5.300 0 40 IKAB O=C(NC(=S)Nc1cccc2ccccc12)c1sc2cc(Cl)ccc2c1Cl 34861946 PQMWEJGOBDPCKS-UHFFFAOYSA-N 431.369 6.488 0 40 IKAB C[C@@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1F 36394189 MFXMPIWOVRBXKP-CQSZACIVSA-N 426.879 5.562 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38835014 YWERSXHKMHUYHW-LBPRGKRZSA-N 432.178 6.151 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1cc(Cl)ccc1F 40050339 MEKXHQFLHMUNEY-UHFFFAOYSA-N 436.914 5.199 0 40 IKAB Cc1ccc(-c2cnc(SCc3ccc(F)cc3)n2-c2ccc(OC(F)F)cc2)cc1 44088196 HYWPDGUHYDPVNJ-UHFFFAOYSA-N 440.490 6.881 0 40 IKAB C[C@@H](CN(Cc1ccccc1)Cc1ccccc1)OC(=O)c1ccc(Cl)cc1Cl 57322410 UMOXMVJJAGHDMD-SFHVURJKSA-N 428.359 6.241 0 40 IKAB CC(C)c1c(C(=O)Nc2ccc(F)cc2Br)cnn1-c1cccc(Cl)c1 59304842 IKZREQAPBCIHBY-UHFFFAOYSA-N 436.712 5.803 0 40 IKAB O=C1N[C@@H](c2ccc(OCc3ccccc3)cc2)Nc2c1sc(=S)n2-c1ccccc1 59459478 SROLSRBTMQKHMU-NRFANRHFSA-N 445.569 5.701 0 40 IKAB O=C(Nc1cccc(-c2cnco2)c1)c1ccc(Oc2ccccc2Br)nc1 65158988 DMZRJGCYMJKPOY-UHFFFAOYSA-N 436.265 5.544 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3cccc(C(F)(F)F)c3)oc12 67293581 GUJOKAPPDDAOIG-SLMZUGIISA-N 439.393 5.340 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN2C(=O)c2oc3ccccc3c2C)n1 72372581 CLUAOFKNAFJEOI-JOCHJYFZSA-N 441.535 5.572 0 40 IKAB COc1ccc(CCC(=O)Nc2ccccc2C(=O)OCc2nc3ccccc3s2)cc1 89442184 JAFSVQLEKVPPAG-UHFFFAOYSA-N 446.528 5.233 0 40 IKAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccc(-c5ccc(F)cc5)cn34)n2)c(F)c1 96038149 MTIMINATBYTCTM-UHFFFAOYSA-N 428.442 5.631 0 40 IKAB COc1cc([C@H](C)NCC(=O)Nc2cccc(Br)c2)ccc1SC(F)F 97048939 WOBDURBQHVXAAN-NSHDSACASA-N 445.329 5.062 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)c1 101095113 DLKQKDZMOBXHFP-UHFFFAOYSA-N 440.565 5.264 0 40 IKAB C[C@@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 102673753 LBMQWGLSKLHDSA-CTZUUEIXSA-N 445.606 7.163 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl 222844966 SOSACDURFIGANP-NRFANRHFSA-N 448.994 5.350 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 223008384 HQXOLZICRGXZTB-KRWDZBQOSA-N 449.422 5.566 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1C 223110988 PDFFFVSUVQVZPQ-JWQCQUIFSA-N 430.621 5.794 0 40 IKAB CC(C)CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 223360441 HZDRTJPGBLUBCL-AREMUKBSSA-N 448.994 5.425 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCC1 223492892 ICJJYYMFDYPCQE-RPWUZVMVSA-N 431.609 5.183 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223755652 XNVLJVKDFUZRCO-INIZCTEOSA-N 433.379 5.012 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)cc1 223955889 HLLIUUKNBPUINR-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1c(Br)cnc(NC(=S)NCC2(c3ccccc3)CCCC2)c1Cl 223972000 DJLMOQAYWXFPKA-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB CCOc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1 224538974 RIMIVEVJUIGHDV-IBGZPJMESA-N 437.967 6.426 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)Nc2ccc3c4c(cccc24)CC3)cc1 225202913 BVUXVAHKJUBJQC-JLPGSUDCSA-N 438.552 5.718 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1C 225367367 PPOYZYFWNDORAY-RPBOFIJWSA-N 446.620 5.535 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225491693 BUVMKDAZYICYHC-HRAATJIYSA-N 435.395 5.258 0 40 IKAB COc1ccc(NC(=O)C(Cc2ccc(Cl)cc2)(c2ccccc2)c2ccccc2)cc1 225936419 CNVGZZDPNILJIX-UHFFFAOYSA-N 441.958 6.516 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 248204584 ZCRCAFFPDJPSJH-SZMVWBNQSA-N 426.527 5.113 0 40 IKAB Cc1nn(C)c2ccc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)cc12 257209700 BROMLNHADUOPOS-FQEVSTJZSA-N 444.966 5.617 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3cccnc23)CC1)C1(c2ccccc2)CCOCC1 257332636 XYCIBXJFMPICCR-JOCHJYFZSA-N 428.576 5.154 0 40 IKAB COc1cccc(Cc2ccc(C3CCN(C(=O)CCCc4ccc(F)cc4)CC3)nc2)c1 257341349 ZJYWBPOJTSOBER-UHFFFAOYSA-N 446.566 5.549 0 40 IKAB Cc1ccc(CNC(=S)Nc2nc(Oc3ccccc3)cc(N3CCCC[C@H]3C)n2)cc1 260712549 IWJBCCXYKSFMPY-LJQANCHMSA-N 447.608 5.443 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1NC(=O)c1cccc(Cl)c1 408550040 AUTGAHGQBPDWQH-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Br)cc1 408559652 AQFHZUFYSWDLEZ-GYHWCHFESA-N 443.410 6.001 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)cc2-c2ccc3ccccc3c2)cc1 408724448 KNMZGUZMZXZJFC-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3C)n2)cc1 408724974 NIBIWDRLLUDCPL-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccccc2Cl)N[C@@H]1c1ccccc1OCC 408987995 GOGDQHRNLVLTDY-OAQYLSRUSA-N 444.984 5.510 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2)C1=O 409061279 CKXGINVIDPLDJW-UNOMPAQXSA-N 436.360 6.409 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 409121122 WDQKQBADXOZOMC-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB Cc1cc(O)nc2cc(C(=O)N3CC4(CCCC4)c4cc5c(cc4[C@H]3C)OCCO5)ccc12 577877529 GEYQOVUILUFUHO-QGZVFWFLSA-N 444.531 5.049 0 40 IKAB CC[C@@H](C)c1cccc(C)c1N(C(=O)CSc1nc2ccccc2[nH]1)[C@H](C)COC 584906194 KVYSAROQHICKLR-SJLPKXTDSA-N 425.598 5.545 0 40 IKAB CCOc1cccc2c1N(C(=O)c1cccc(OC)c1)C(C)(C)c1ssc(=S)c1-2 823988 OYJWDZMIFUFGGU-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB COc1ccc(NC(=O)c2ccc(OCC(=O)Nc3cc(C)ccc3C)cc2)cc1Cl 952113 UTHUFDSRLSXYDI-UHFFFAOYSA-N 438.911 5.235 0 40 IKAB OC(COc1ccc(Nc2ccccc2)cc1)COc1ccc(Nc2ccccc2)cc1 1049724 ZZMOXLMMPVFJHG-UHFFFAOYSA-N 426.516 5.993 0 40 IKAB CC(=O)Nc1ccc(C(=O)COc2c(-c3ccccc3Cl)oc3ccccc3c2=O)cc1 1993943 PSQVIVQWJZFQRN-UHFFFAOYSA-N 447.874 5.334 0 40 IKAB Cc1c(-c2ccccc2)nc2c(Cl)cccc2c1C(=O)O[C@H](C)C(=O)c1ccccc1 2079607 DVSCMOBHVKYZFJ-QGZVFWFLSA-N 429.903 6.292 0 40 IKAB CN(C)c1ccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)cc1 2083886 WAFWFWMLICEHLS-UHFFFAOYSA-N 436.342 6.527 0 40 IKAB CC(C)c1ccc(-c2nc(C(=O)NCCCc3ccccc3)cc3c2[nH]c2ccccc23)cc1 2112503 CSSSAVOCTJPTEH-UHFFFAOYSA-N 447.582 6.869 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2c(C)cc(C)cc2C)cc1 2361319 SCFSWVLKOCPXDW-UHFFFAOYSA-N 428.532 5.466 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1nccs1)C3=O 2408997 SAUUPMQKNCPXCA-FQEVSTJZSA-N 430.529 5.605 0 40 IKAB O=C(COc1ncnc2sc3c(c12)CCCCC3)NC(c1ccccc1)c1ccccc1 2645962 HTOANYVHXCXHNZ-UHFFFAOYSA-N 443.572 5.245 0 40 IKAB O=C(Nc1nccs1)c1sc2c(Br)ccc(OC(F)F)c2c1Cl 2783384 BBDFYYIYVLXFEO-UHFFFAOYSA-N 439.690 5.627 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(Cl)cn(Cc2ccc(Cl)c(Cl)c2)c1=O 3041652 BUVMQBCDASYQIM-UHFFFAOYSA-N 435.738 5.726 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccccc2)cc1Cl 3059320 NCYZYBIUEWCINS-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134472 BJXFUYRPCWJSEM-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(Nc2ccc(C)c(C)c2)s1 3245397 CGUDDEHJWZKUSN-CQSZACIVSA-N 426.611 6.143 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnnn2-c2ccc(Cl)cc2)c2ccccc2)c1 3266361 RNUOZDDMZCOCJU-OAQYLSRUSA-N 449.967 5.405 0 40 IKAB O=C(COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)c1ccc(Cl)cc1 3283882 AWSDLOAPEJZCKG-UHFFFAOYSA-N 442.323 6.310 0 40 IKAB COc1ccc2oc(C(=O)OCC(=O)Nc3ccccc3Sc3ccccc3)c(C)c2c1 3323055 MDYNNZDWNMLKFE-UHFFFAOYSA-N 447.512 5.697 0 40 IKAB CC(C)c1ccc(N(C(=O)[C@@H]2COc3ccccc3O2)c2nc3ccccc3s2)cc1 3327668 MXPZAVNIWCMIOF-QFIPXVFZSA-N 430.529 5.924 0 40 IKAB CCCCNc1ccc(C(F)(F)F)cc1NC(=O)/C=C/c1c(Cl)nc2sccn12 3422800 QYYUBBCGNWCLSQ-VOTSOKGWSA-N 442.894 5.932 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc2scc(-c3ccccc3)c2c(=O)n1C 3445697 RNNDPLOOLPHODH-UHFFFAOYSA-N 436.558 5.166 0 40 IKAB O=C(CSc1ccc(Cl)cc1)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109864 HAULUJRCZWGEJH-UHFFFAOYSA-N 428.907 6.080 0 40 IKAB COc1ccc([C@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCCC2)cc1 7063305 XPDJIMNFWFFXKM-AREMUKBSSA-N 427.548 5.012 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 8007679 PBAVTZRUAMWZDA-UHFFFAOYSA-N 431.580 6.012 0 40 IKAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCC(=O)c1ccc2ccccc2c1 8383291 DJCZZPVMTXKAQW-UHFFFAOYSA-N 431.491 6.403 0 40 IKAB Cc1ccc2nc(-c3ccc(Br)cc3)cc(C(=O)OCC(=O)C(C)(C)C)c2c1 8383422 JYWYXHLOUNCOAJ-UHFFFAOYSA-N 440.337 5.745 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 8452526 CROXJQNWMYYQFM-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 8752969 RQUWEDBPWFGNNK-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8871286 JVMJTPYZRLXXAX-IBGZPJMESA-N 445.950 5.657 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nc(C(F)(F)F)nc2ccccc12 8943307 SELRQIVBNNSCSW-SNVBAGLBSA-N 441.862 5.430 0 40 IKAB COc1ccc([C@H](NC(=O)c2ccc(NC(=O)c3cccs3)cc2)c2ccccc2)cc1 9222539 SBDLTHQRKAJKIB-XMMPIXPASA-N 442.540 5.528 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)c(OC)c1 9361252 QSXSSCPEQSUJDL-RUZDIDTESA-N 443.478 5.291 0 40 IKAB Cc1cc2nnc(SCC(=O)N[C@@H](C)C34CC5CC(CC(C5)C3)C4)n2c2ccccc12 9373646 MDFMMPVWEQNXRH-DUXBZUBYSA-N 434.609 5.004 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cccc(C)c2C)c1 9427944 HMYCOFWDQXDPPR-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1cccc(Cl)c1Cl 9501055 YBLKZOBECSCVFP-JTQLQIEISA-N 439.393 5.768 0 40 IKAB COc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(OC)c(OC)c4)ccc3c2C)cc1 9546994 YJYLOPSTHKYRBL-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCCC[C@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)[nH]c2ccccc12 9581833 BRCDLBOHWWDYGL-SIBVEZHUSA-N 431.580 5.354 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)NCc1cccs1 9606560 HZRSSQYUCPSYJU-AWEZNQCLSA-N 447.029 5.572 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 10035210 IXGPLDBBFINXDQ-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB O=C(Nc1nc(-c2ccc(I)cc2)cs1)c1ccc(Cl)s1 11617436 FMBIJWCDKCOCHX-UHFFFAOYSA-N 446.722 5.382 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccccc1Cl)N1N=C(c3cccc(OC)c3)C[C@H]21 12195672 COEVEHAWLCVMMA-RCZVLFRGSA-N 434.923 5.990 0 40 IKAB CN(C(=O)C[C@@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 12408608 TULKOYIVOUPXHN-CTNGQTDRSA-N 434.407 6.126 0 40 IKAB O=C(CSc1nc2ccccc2cc1CC1CCCC1)Nc1ccccc1C(F)(F)F 12500128 PNXYHWVFKLYQIU-UHFFFAOYSA-N 444.522 6.717 0 40 IKAB O=c1[nH]c(CSc2ncc(-c3ccccc3)n2-c2ccccc2)nc2cc(Cl)ccc12 12535622 PEQRHGFWAUALGA-UHFFFAOYSA-N 444.947 5.722 0 40 IKAB Cc1sc2nc([C@H](C)Sc3nc(C(F)(F)F)nc4ccccc34)[nH]c(=O)c2c1C 13112695 JEKOSJBSXUFILN-JTQLQIEISA-N 436.484 5.417 0 40 IKAB FC(F)(F)c1cccc([C@H](c2nnnn2C2CCCCC2)N2CCCc3ccccc32)c1 13561746 XCCLWTZIWNPWIP-JOCHJYFZSA-N 441.501 5.739 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628232 DJYZBPSNOZSGHB-LJQANCHMSA-N 430.548 5.951 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cc(C(F)(F)F)ccc1N1CCCC1 13946156 LMNZQDRKIPWUMX-JLHYYAGUSA-N 426.438 6.218 0 40 IKAB COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 13960639 OMNKNUDNZHSPOA-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB Cc1cc(C)c2c(-n3cccc3)c(-c3nc(-c4ccc(C(F)(F)F)cc4)no3)sc2n1 15107980 BDYUYFUUIVUNJC-UHFFFAOYSA-N 440.450 6.440 0 40 IKAB Cn1c(CC(=O)Nc2ccc(Cl)cc2Cl)c(Sc2ccccc2)c2ccccc21 15305188 NQZORBWBESYKKM-UHFFFAOYSA-N 441.383 6.818 0 40 IKAB Cc1c(NC(=O)Nc2cccc(Cl)c2)cccc1NC(=O)Nc1cccc(Cl)c1 16250090 PAZMUOBMPTVIQB-UHFFFAOYSA-N 429.307 6.590 0 40 IKAB CSc1ccc(-c2noc(-c3ccc(CS(=O)(=O)c4ccc(C)cc4)o3)n2)cc1 16846386 GGRVWMUVUBSRQA-UHFFFAOYSA-N 426.519 5.001 0 40 IKAB CCC(=O)NC(=S)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 17095646 WCGCLZQDDJQIAV-UHFFFAOYSA-N 427.913 5.075 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)[nH]c(=O)c12 17189524 PHBUZFXTAKBFTL-TZMCWYRMSA-N 440.594 5.785 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373188 CXEBMIILEYDRIX-OFNKIYASSA-N 425.536 5.302 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nc2c1 19644883 NNGNBDGRIKYLEO-HXUWFJFHSA-N 446.550 7.928 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(F)c(Cl)c3)o2)cc1Cl 19648589 JGXXQVUAVDPHEX-RMKNXTFCSA-N 449.334 6.227 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2Cl)ncc1C(=O)Nc1ccccc1F 19764761 UCJBMWHRNVLVKB-QFIPXVFZSA-N 438.934 5.557 0 40 IKAB CCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OCC 20633543 BPUXHYZZCLBFPD-QHCPKHFHSA-N 435.524 5.074 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671781 QJLPEUWBDVDUMI-NRFANRHFSA-N 442.588 5.761 0 40 IKAB C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc(C(C)(C)C)cc1 22913661 MPNRDKGQWSVHOO-NRFANRHFSA-N 426.604 6.033 0 40 IKAB Cc1cccn2c(=O)cc(CSc3ncnc4scc(-c5ccc(F)cc5)c34)nc12 23223410 RHNCPCVJHRVJFB-UHFFFAOYSA-N 434.521 5.106 0 40 IKAB COc1ccc(-c2c(C)nn3c(Nc4cc(Cl)cc(Cl)c4)cc(C)nc23)cc1OC 27585445 XRCMLCVAHXBRPZ-UHFFFAOYSA-N 443.334 6.081 0 40 IKAB CCc1ccc(OCC(=O)N(C)[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 28288765 UDPMPWNGQZMEBA-MHZLTWQESA-N 428.532 5.366 0 40 IKAB CCCOc1ccc(C(=O)Nc2nc(C)c(-c3nc(-c4cccs4)no3)s2)cc1 31813302 HRPMYMNTZPAUAG-UHFFFAOYSA-N 426.523 5.271 0 40 IKAB COc1ccc(-c2nc(-c3cc4ccc(OCC(=O)C(C)(C)C)cc4oc3=O)cs2)cc1 32104814 SZFCGAVHLGNKLY-UHFFFAOYSA-N 449.528 5.586 0 40 IKAB O=C(Cc1cccc2cccnc12)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 32885605 ZEBGZWDDFRQAQI-JOCHJYFZSA-N 439.946 5.860 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 33694644 MPDYELRIKBKBAA-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB O=C1S/C(=C/c2ccc(-c3ccc(Br)cc3)o2)C(=O)N1Cc1ccccc1 34931862 RNFORHKJIYENEO-XDHOZWIPSA-N 440.318 5.946 0 40 IKAB CCCCc1ccc(N2C(=O)/C(=C\c3ccc(Br)cc3)SC2=S)cc1 35040644 YANDUIMBHIOOBY-QGOAFFKASA-N 432.408 6.198 0 40 IKAB CCc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccc(C)c(C)c1 45890595 SLTKFYHXFHVPGC-UHFFFAOYSA-N 440.179 5.534 0 40 IKAB O=C(CCCCc1nc2ccccc2s1)N1CCC(Nc2ccccc2Cl)CC1 69977845 NHMQVPWHKNLOJM-UHFFFAOYSA-N 428.001 5.766 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2s1 72356487 DCOSSSHXNWFTHW-IBGZPJMESA-N 431.536 5.826 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(C(C)C)cc3)oc12 73642713 UNOORCIZIAJLRQ-UHFFFAOYSA-N 438.163 6.288 0 40 IKAB CO[C@@H]1CCN(c2ccc(NC(=O)CCc3ccc(OCc4ccccc4)cc3)cc2)C1 96122241 XAJIANCUFLLFRL-AREMUKBSSA-N 430.548 5.062 0 40 IKAB Fc1ccc(-c2ccc(/C=C/c3nn4c(-c5cc6ccccc6o5)nnc4s3)o2)cc1 96193973 DHZATEPSKHZHJV-ZRDIBKRKSA-N 428.448 6.169 0 40 IKAB Cc1ccc([C@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(O)=C32)cc1 102648173 ACWAEVCSYLUJHP-PZGXJGMVSA-N 436.599 7.922 0 40 IKAB CC1(C)c2ccccc2N2[C@@H](C(=O)Nc3ccccc3)[C@H]3C[C@]21Oc1ccc2ccccc2c13 102674422 PMHSFIULDHIJHK-JGNKLCKRSA-N 446.550 6.221 0 40 IKAB O=C(NCc1ccc([C@H](O)c2ccccc2)s1)C1c2ccccc2Oc2ccccc21 207970571 SWKKYOIJBSVEDK-RUZDIDTESA-N 427.525 5.384 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 223074778 RVJKDHOHQIZRQY-SJORKVTESA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 223095116 YPNOYWNROIWGCV-QFIPXVFZSA-N 440.653 5.179 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 223654032 BINVHOSFLLCMHI-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223657673 MBMKBTUQAQNETI-QHCPKHFHSA-N 426.626 5.201 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223816804 FLUQSHWTIKRZPK-JOCHJYFZSA-N 432.967 5.135 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)cc1C 224756812 ZHRIBNTVFOXCBE-MHZLTWQESA-N 442.603 5.011 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926010 ZTGQSOYXMGUESL-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024045 LHSJHRDRBRGRIH-DNQXCXABSA-N 432.593 5.186 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225104112 YDEZTDRYBGMVFN-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB Cc1nc(-c2cccc(NC(=S)N[C@@H](CC(=O)O)c3ccc(Cl)cc3)c2)cs1 225219147 UGOJPEWMUCWLDJ-KRWDZBQOSA-N 431.970 5.274 0 40 IKAB Cc1nc(-c2cccc(NC(=S)N[C@H](CC(=O)O)c3ccc(Cl)cc3)c2)cs1 225219185 UGOJPEWMUCWLDJ-QGZVFWFLSA-N 431.970 5.274 0 40 IKAB COC[C@H](C)Oc1ccc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc1Cl 225578752 NMPISXFWNRAMEZ-HNNXBMFYSA-N 438.351 5.094 0 40 IKAB NC1=C(c2ccccc2)[S@@](=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3)c21 245256367 PSCMSNVGCKPEJP-HKBQPEDESA-N 425.509 6.177 0 40 IKAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257326498 WXJVDCZHDUNYFE-FQEVSTJZSA-N 426.948 5.143 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408638812 DMMNBLGAJPTCEO-HNNXBMFYSA-N 441.314 5.777 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2ccc(Cl)cc2)c1 408697230 GIIVKBKEBKRFLQ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1)c1ccccc1C(F)(F)F 408713444 YZOZZFICKAMATN-UHFFFAOYSA-N 432.467 5.799 0 40 IKAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)C2(C)c4ccccc4C3(C)c3ccccc32)cc1 408722828 GONQSHFACSVDIH-HVJZFTSCSA-N 437.539 5.220 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3)cc2-c2ccc3ccccc3c2)c1 408727227 VFBMKXSEXGKPAV-UHFFFAOYSA-N 437.930 6.907 0 40 IKAB O=C(O)c1ccccc1C(=O)Nc1ccc2nc(SCc3cccc(F)c3)sc2c1 408750936 UGVNCYGUALXFLQ-UHFFFAOYSA-N 438.505 5.678 0 40 IKAB O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=O)N1CCc1ccccc1 409007787 RMFFBSWUKYQZAM-UYRXBGFRSA-N 444.339 6.532 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCc1cccc2ccccc12 409120569 UHKRKSNUWWWVCJ-UHFFFAOYSA-N 431.963 7.391 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)o2)cc1 409158455 YEFSZEXUOPRSKU-UHFFFAOYSA-N 433.533 5.656 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2C)nnc1[C@@H](C)Oc1ccccc1 409344161 FWOUANCZOXCXHU-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB CN(C[C@H]1CCCO[C@H]1c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622808528 LLOQPZYPONHRKU-BEFAXECRSA-N 445.403 5.964 0 40 IKAB Cc1ccccc1C(=O)N1CCCCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21 643582025 HZDBOIHNNYQFGA-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 623786 YLVVRVJSTFOMKG-UHFFFAOYSA-N 436.899 5.124 0 40 IKAB CSc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 683124 CPOSATSHRQAVFC-SNVBAGLBSA-N 445.176 5.340 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(F)cc12)c1ccc2c(c1)OCCO2 922149 UBCUXAHCRKKKBX-UHFFFAOYSA-N 432.476 5.182 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3)C2=O)cc(Br)c1OC 1104077 DRDXUGJTNFTLHK-BOPFTXTBSA-N 448.338 5.093 0 40 IKAB Cc1ccc(NC(=O)N(O)[C@@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 1278390 VJEBRRFJUZARAN-QFIPXVFZSA-N 436.556 5.516 0 40 IKAB CCOP(=O)(Nc1ccc2c(c1)Cc1c-2cc(Cl)c(NC(C)=O)c1Cl)OCC 1662440 NLFHACZPKMPUNP-UHFFFAOYSA-N 443.267 6.116 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4ccccc4c3)c3ccccc3n2)cc1 1860242 MQTCPCBBYHVMQK-UHFFFAOYSA-N 431.491 6.403 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1 2066405 CWBGLVQBYSTRCH-UHFFFAOYSA-N 446.131 6.122 0 40 IKAB O=c1oc2ccc(Cl)cc2cc1-c1nc(-c2ccc(Sc3ccccc3)cc2)cs1 2208137 ZXOGFGJSYIHUSI-UHFFFAOYSA-N 447.968 7.388 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccccc2C(C)(C)C)cc1 2248502 SWXGUKCVCKPWEL-UHFFFAOYSA-N 442.559 5.839 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 2382280 ZMFYSDHILDIVNE-UHFFFAOYSA-N 435.574 5.715 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C 2546457 XKRJOCZTXQEHDJ-QHCPKHFHSA-N 447.991 6.867 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4ccc5c(c4)CCC5)cc23)cc1 2586518 FBELYTOCIREDPP-UHFFFAOYSA-N 446.554 5.790 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C)n2Cc2ccccc2)c(C)n1Cc1cccs1 2660730 YXROOLXLOCESAI-UHFFFAOYSA-N 436.606 5.138 0 40 IKAB O=C(/C=C/c1ccccc1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721221 BLBYYDZWLZNCTQ-XNTDXEJSSA-N 432.976 6.410 0 40 IKAB Cc1cccn2c(=O)c3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)sc3nc12 2722911 NOODFJDRVCLSFI-UHFFFAOYSA-N 427.485 5.262 0 40 IKAB Cn1c2ccccc2c2cc([C@H]3Nc4ccccc4C(=O)N3c3ccc(Cl)cc3)ccc21 2785186 XASODDQFCAAZPN-SANMLTNESA-N 437.930 6.756 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 3011642 KQQNLEVBHLEXGC-IEBWSBKVSA-N 430.430 5.113 0 40 IKAB Cc1oc(C(=O)Nc2ccccc2)cc1COc1ccccc1C(=O)Nc1ccccc1 3145038 SJRCLGOWPHSNLD-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB CCOc1ccc2nc(SCC(=O)N3CCC(Cc4ccccc4)CC3)sc2c1 3249483 CSWXNIHOFYNLEE-UHFFFAOYSA-N 426.607 5.268 0 40 IKAB Cc1cc(OC(=O)c2ccc(OCc3ccccc3)cc2)n(Cc2ccccc2Cl)n1 3290254 OHCASRQPRPDKHB-UHFFFAOYSA-N 432.907 5.691 0 40 IKAB CCCSc1nnc(COc2ccc(Br)cc2)n1-c1ccc(OCC)cc1 3307757 AMZGEQZTAWQRAL-UHFFFAOYSA-N 448.386 5.510 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 6075547 AHIWFLYUBMWYHP-UHFFFAOYSA-N 443.572 6.491 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccccc3)cc2c1 6133860 HOWLXMYWCNZQQO-UHFFFAOYSA-N 449.601 5.388 0 40 IKAB Cc1c(CC(=O)NCc2ccccn2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 8791619 WMPSDUKGTQSLJR-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic COC[C@H](C)N(C(=O)Cn1c(/C=C/c2ccc(F)cc2)nc2ccccc21)c1ccccc1 8835105 DKLZKTDAVFSOFE-QMEWPPBRSA-N 443.522 5.414 0 40 IKAB CN(c1ccccc1)[C@H]1c2cccc3cccc(c23)[C@@H]1NS(=O)(=O)c1ccc(Cl)cc1 8838167 HWJCIWCLDIZRDL-DQEYMECFSA-N 448.975 5.704 0 40 IKAB COc1ccc(C(=O)c2c(N)c(-c3nc(-c4ccc(F)cc4)cs3)c3ccccn23)cc1 8844888 GPVFGBVRXJYEOJ-UHFFFAOYSA-N 443.503 5.691 0 40 IKAB CN(Cc1cn(-c2ccccc2)nc1-c1ccc(-c2ccccc2)cc1)C(=O)CCC(=O)O 8861903 LRLMYNGYPRIQLE-UHFFFAOYSA-N 439.515 5.030 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(Cc2cccs2)n1C1CC1 8901794 LYMXGDHHASYIBR-GFCCVEGCSA-N 449.001 5.047 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)C1CCN(Cc2cccc(Cl)c2)CC1 9063364 PGFYHPJBBRNMGQ-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB COc1ccccc1CCC(=O)Nc1nc(-c2ccc(NC(=O)c3ccco3)cc2)cs1 9315704 ILBDHWXMOPTAGH-UHFFFAOYSA-N 447.516 5.235 0 40 IKAB COc1ccc(-c2cc(-c3nn4c(-c5cccnc5)nnc4s3)c3ccccc3n2)cc1 9409809 LGLHKNRHOIAWCM-UHFFFAOYSA-N 436.500 5.139 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccccc1N(Cc1ccccc1)S(C)(=O)=O 9849475 ZYOHBYWHVWDJFP-UHFFFAOYSA-N 436.577 5.030 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnnn2-c2cc(C)ccc2C)c2ccccc2)cc1 9882496 ZKQVGGPRYOSTPI-QFIPXVFZSA-N 429.549 5.060 0 40 IKAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)Nc1ccc(F)cc1Cl 9883448 XXPNGCGRUIOFDQ-VIFPVBQESA-N 429.826 5.560 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H]2CCSc3ccccc32)cs1 9959103 JOTOIGPMKCXAAQ-SGWGQVFISA-N 435.574 5.194 0 40 IKAB Fc1ccccc1[C@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 10336736 SOEVTCLAOPWVQX-VQTJNVASSA-N 437.887 5.087 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3Oc3ccc(OC)cc3)c(O)c2)cc1 11866310 UQVBXILXGUONEI-UHFFFAOYSA-N 441.487 5.454 0 40 IKAB biogenic CSCCc1[nH]c(SCC(=O)N2c3ccccc3Sc3ccccc32)nc1C 12372037 NTRVIXWKYNPQMK-UHFFFAOYSA-N 427.620 5.545 0 40 IKAB C[C@H](NC(=O)c1oc2ccccc2c1CSCc1ccccc1)c1nnc2ccccn12 12679070 AMLAYPRWCKLUEW-KRWDZBQOSA-N 442.544 5.400 0 40 IKAB CSc1ccc(Cl)c(C(=O)Nc2ccnn2Cc2ccc(Br)cc2)c1 12929449 JLYAGJRRWKTDIQ-UHFFFAOYSA-N 436.762 5.322 0 40 IKAB CC(C)[C@H](C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1)c1ccc(Cl)cc1 13109326 UAVMQBXWMNWHHP-FQEVSTJZSA-N 428.941 5.613 0 40 IKAB O=S(=O)(NC[C@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)s1 13129422 ILMADWZAFQRUFL-INIZCTEOSA-N 427.378 5.187 0 40 IKAB COc1ccc2nc(Cl)c(CN(Cc3cccc(C)c3)C(=O)c3ccccc3F)cc2c1 13562046 DSHKBVVGQZMKLY-UHFFFAOYSA-N 448.925 6.187 0 40 IKAB COc1ccc([C@H]2[C@@H]3CCCC[C@@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 13778091 KYVWHOUGNSMFTK-SAAIGDAKSA-N 444.575 5.155 0 40 IKAB CC(C)(C)N1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 13844908 OGHCBNCKGYTQKR-XMMPIXPASA-N 449.381 7.485 0 40 IKAB CCn1c(-c2ccco2)nn(CN2CCc3sccc3[C@H]2c2cccs2)c1=S 14183189 XDMGPWSJBYDFBP-SFHVURJKSA-N 428.608 5.422 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)cc1OC 15729525 LJEFJYVQLKNGJD-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)c(Cl)c1 16196301 OGLPRWUCCDABLS-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(Cl)c(Cl)c3)c2)cc1 16323145 NSNILTKXASDXNU-UHFFFAOYSA-N 441.358 6.796 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccc(Cl)cc3)c12)Nc1ccc(F)c(F)c1 16713345 GDEKKIFBGWDLSJ-UHFFFAOYSA-N 447.919 6.021 0 40 IKAB CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccccn2)cc1 16736069 MVILZYJUSXMWGR-XMMPIXPASA-N 440.499 5.507 0 40 IKAB CCCOc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 17095953 DOMXKJUYLUKQNZ-GOSISDBHSA-N 428.532 7.049 0 40 IKAB Cc1cccc(N2C(=O)C3=C(C2=O)[C@H](c2ccc(Cl)cc2)Nc2ccccc2S3)c1 17098243 MQAXJEWOMVBLAE-NRFANRHFSA-N 432.932 5.735 0 40 IKAB Cc1ccc(-c2nc(C)c(CN3CCN(C(c4ccccc4)c4ccccc4)CC3)[nH]2)cc1 19368434 HTDFEXRUDGWNHA-UHFFFAOYSA-N 436.603 5.601 0 40 IKAB in-man C[C@H](C(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1)c1ccccc1 19459000 ONAOSPSDEHIPSY-UUXHPUJUSA-N 448.533 5.336 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Cl 19634871 QVCOROYQRQONSJ-UHFFFAOYSA-N 441.771 5.656 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3n[nH]c4c3CCCC4)cc2)O[C@@H](C(C)C)C1 19711769 DPKKXGORWWNGGL-HUVFLSCGSA-N 438.616 5.127 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3cc(F)ccc3F)oc12 20285570 OPHSFHXXWBJOHU-RWEWTDSWSA-N 441.455 5.093 0 40 IKAB O=C(C[C@H]1c2ccccc2Sc2ccc(Cl)cc21)NCCc1c[nH]c2ccccc12 20436626 IHSOKIWXUDCYHL-FQEVSTJZSA-N 432.976 6.167 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 20609932 LUQSGXFCPXPBAL-UHFFFAOYSA-N 434.499 5.560 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610690 HADBSGFHAFEJSA-UHFFFAOYSA-N 442.563 5.993 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20807937 UTVJXJAOJRMLQX-JQIJEIRASA-N 436.536 7.184 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1ccc(C)cc1C)S(=O)(=O)c1ccc(C)cc1 22275575 JYPSSRYTFHUNOO-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1c(C(=O)N2CCN(C(=O)c3ccc(Cl)cc3)CC2)oc2c1ccc1ccccc12 22993849 JNMNXWIRRFJMQZ-UHFFFAOYSA-N 432.907 5.146 0 40 IKAB O=C(Cc1coc2cc3c(cc12)CCC3)Nc1cc(-c2nnc3n2CCCCC3)ccc1F 24831311 BHBXBMMHPVHLOT-UHFFFAOYSA-N 444.510 5.227 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(-c2cs/c(=N\c3ccccc3)n2C(C)(C)C)cc1 27019781 HHDPOQNHDXCRPR-GYHWCHFESA-N 443.638 5.235 0 40 IKAB CCN(C(=O)COc1ccc(C)c(C)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993128 KDSLGZHDKULYEL-NDEPHWFRSA-N 426.560 6.110 0 40 IKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@@H]1C[C@H]1c1ccccc1 32609864 SDCQTEGDGCILPL-VQTJNVASSA-N 429.442 5.297 0 40 IKAB CCN(CC)C(=O)c1ccc(NCC(=O)Nc2ccccc2SC(F)F)cc1Cl 32932745 JDYNTLZPDWWNNX-UHFFFAOYSA-N 441.931 5.187 0 40 IKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC(c2nc3ccccc3o2)CC1 32967078 JMMKJCHPDGVNLJ-XMMPIXPASA-N 428.557 6.067 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccccc1Cl 35333431 IIKRUEHVUIDGBE-UHFFFAOYSA-N 438.955 5.931 0 40 IKAB O=C(Nc1cc2c(cc1Sc1ccccc1)OCCO2)c1ccc2c(c1)OCCCO2 58312187 IMJRAPXHLODEEC-UHFFFAOYSA-N 435.501 5.023 0 40 IKAB CCCCOc1ccc(-c2nc3sc(-c4ccc(OCCCC)cc4)nc3s2)cc1 59386337 GFZKOGVDNVMRNK-UHFFFAOYSA-N 438.618 7.445 0 40 IKAB O=C(c1cnc2ccccc2c1Nc1ccc(Br)cc1F)N1CCSCC1 64471868 MQLHMMGUHJZBOB-UHFFFAOYSA-N 446.345 5.069 0 40 IKAB CCn1nc(C)c2nc(SCc3cccc(Cl)c3)n(Cc3ccc(C)cc3)c(=O)c21 64817164 KBSJHKJPQJQZHR-UHFFFAOYSA-N 438.984 5.224 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C[C@H](O)[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1 87493045 UBUHIKQRNDOKCZ-FIZWBJOGSA-N 442.728 7.140 0 40 IKAB CC[C@@H](NC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1)c1nc(-c2ccccc2)c[nH]1 95460881 SSZZUUQWLAQVBV-JOCHJYFZSA-N 442.567 5.718 0 40 IKAB C[C@@H]1[C@@H](O)CC[C@]23C[C@]24CC[C@]2(C)[C@@H]([C@H](C)C/C=C/C(C)(C)O)CC[C@@]2(C)[C@@H]4CC[C@@H]13 96023916 KOFMMFYDTYVKTQ-GCMQLGSKSA-N 428.701 6.750 0 40 IKAB biogenic Clc1ccc(-c2nc(CN3CCN(Cc4nc5ccccc5s4)CC3)cs2)cc1 96437975 PDJABMHVEZMQQO-UHFFFAOYSA-N 441.025 5.391 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 101001550 MCAJYCWBANOJCU-NHTMILBNSA-N 446.934 5.316 0 40 IKAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1cc2ccccc2o1 101189013 UAMHDURYDGCSCT-UHFFFAOYSA-N 442.338 5.449 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3[C@@H](ON(c4ccccc4)[C@H]3c3cccc4ccccc34)C2=O)c1 102706571 VCKMBHWNGBOGEH-KKUQBAQOSA-N 434.495 5.199 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@H](c4ccc(O)cc4)C3=C(O)C2)cc1OC 102728025 CKOWHYRAUUEWKP-MWTRTKDXSA-N 432.476 5.314 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 222602469 NSYCUQVDZMXGNH-JOCHJYFZSA-N 445.003 5.174 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 223656774 LSCAMGXDVHSSAS-XMMPIXPASA-N 440.653 5.260 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2Cl)cc1 223960459 YBJWQTPGUOBCNK-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1c1ccccc1 224179810 XEUHSPQAQXDIFZ-PKTZIBPZSA-N 429.570 6.003 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1)c1ccccc1C 224201875 BNQMOLXIYWEEAN-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 224224868 MMSUWEMMFMAZLY-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccccc1C 224366561 VVGZCNXPUKBORC-XMMPIXPASA-N 436.577 5.091 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NCC(C)C)cc1 224372096 GBQYBTMALZGDPD-SFHVURJKSA-N 449.422 5.424 0 40 IKAB CCc1ccccc1N(Cc1ccc(C(=O)NC(C)(C)CC(C)(C)C)cc1)S(C)(=O)=O 224662289 HKUXLYVDPWAANC-UHFFFAOYSA-N 444.641 5.160 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 224884662 AKRXNXKMEHKTMG-UHFFFAOYSA-N 447.284 5.743 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225079986 IXPGVFWBNWZHSV-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 225374535 MPCWVPWXXGKUTG-AREMUKBSSA-N 434.624 5.145 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)c1ccc(OCCSc2ccccc2)cc1 225398223 XUGNXXHWOHBDNR-UHFFFAOYSA-N 433.558 5.629 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 225641763 OVONOEKGUDXFNZ-XXBNENTESA-N 429.004 5.221 0 40 IKAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 225911112 UHAJYWMXWKZCCQ-GOEBONIOSA-N 425.787 5.736 0 40 IKAB Cc1cccc(CN2CCC(Cc3ccccc3-c3ccccc3C)(C(=O)N(C)C)CC2)n1 257264678 LVPKOPARRCSRKK-UHFFFAOYSA-N 441.619 5.279 0 40 IKAB COc1cc(C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1 408554709 TWXXDOMMFDZPIN-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1 408585259 YFXJHUAITLGFAT-UHFFFAOYSA-N 442.625 5.301 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 408646790 WKYPNJURUIOFCF-OAQYLSRUSA-N 442.559 6.211 0 40 IKAB CN1C(=O)S/C(=C\c2cc(Br)ccc2OCc2ccc(Cl)cc2)C1=O 408810454 JBDTWCDQQSJNHC-SXGWCWSVSA-N 438.730 5.348 0 40 IKAB CCc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 409088893 MDOFJCCEGXFPEH-UHFFFAOYSA-N 433.964 6.125 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)ccc1OCc1cccc(F)c1 409105986 PVQBNWLCTLYRLW-GRSHGNNSSA-N 443.396 5.925 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(Cl)c3)c(OCC)c2)cc1 409116849 NBMLSAQHQUVJGI-UHFFFAOYSA-N 446.374 6.982 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 409175090 PTECYZRBQUFOSH-KRWDZBQOSA-N 446.576 5.402 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1cccc(I)c1 409178742 NAJMZYCMDMNFDK-FQEVSTJZSA-N 442.252 5.072 0 40 IKAB COc1cc(-c2nc3ccccc3s2)c(Br)cc1OCc1ccccc1 409195654 UTRFZLNKLFBJHK-UHFFFAOYSA-N 426.335 6.313 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1ccc(COc2ccc(Cl)cc2Cl)o1 409205676 DXTLTRTXMMSCQI-UHFFFAOYSA-N 441.108 6.180 0 40 IKAB CCOc1ccc(CC(=O)N2CCCCCCCCN(C(C)=O)c3ccccc3C2)cc1 643553511 YHAIDASGHZEOJX-UHFFFAOYSA-N 436.596 5.364 0 40 IKAB CCN1CCN(Cc2cn(C3CCCC3)c3ccccc23)CCOc2ccccc2CC1=O 643568863 LEGBZLIITMJRNX-UHFFFAOYSA-N 445.607 5.042 0 40 IKAB O=C(Nc1ccccc1Sc1ccc(Cl)cc1)c1ccnc(Cc2cccc(F)c2)c1 2037844108 OQQZICKVXCKCOR-UHFFFAOYSA-N 448.950 6.868 0 40 IKAB Cc1cc(-c2nn3c(C)nnc3s2)ccc1NC(=O)c1sc2ccccc2c1Cl 815725 QOVDKALXHHFMQO-UHFFFAOYSA-N 439.953 5.590 0 40 IKAB Fc1ccc(NCc2nnc(SCc3ccccc3Cl)n2C[C@@H]2CCCO2)cc1 877806 SRZFBWHLLMHGFZ-SFHVURJKSA-N 432.952 5.154 0 40 IKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2ccc(C(C)(C)C)cc2)c2ccccc21 990066 VLYCUTODYWPLLC-MUUNZHRXSA-N 427.544 5.300 0 40 IKAB COc1cccc(C(=O)N(c2nnc(-c3ccc(Cl)cc3)s2)C2CCCC2)c1OC 1345588 WHYKJXKOBFRPHL-UHFFFAOYSA-N 443.956 5.465 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccccc1I 1837848 NHJOVEUFLPTYCH-VOTSOKGWSA-N 448.087 5.259 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(C)c(C)c4)c3)nc2c1 1850008 GPRJBOOOOPHGFA-OAHLLOKOSA-N 432.951 7.531 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4Cl)ccc3c2=O)cc1 2107248 NYGIENSDAYGZCC-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB biogenic CCOc1ccc(-c2cn3nc(-c4ccc(Br)cc4)n4c3c2CCCC4)cc1 2251793 FADBQWVFZAWZGT-UHFFFAOYSA-N 436.353 5.967 0 40 IKAB Cc1cccc(NC(=O)c2c(N)n(CCc3ccc(F)cc3)c3nc4ccccc4nc23)c1 2361173 XRNCHFJUFZATPK-UHFFFAOYSA-N 439.494 5.109 0 40 IKAB O=C(CSc1nnc(-c2ccncc2)n1Cc1ccco1)c1ccc2ccccc2c1 2368538 RANBFRJLKUUUHD-UHFFFAOYSA-N 426.501 5.110 0 40 IKAB CN1c2ccccc2C(C)(C)[C@]12C=Cc1cc(Br)cc(Br)c1O2 2420943 SGACMEJZUBOUBY-LJQANCHMSA-N 435.159 5.741 0 40 IKAB Cc1ccc(-n2nc(C)c3c2NC(=O)CS[C@H]3c2ccc(Br)cc2)cc1 2454053 XUMIDKJPOIZLDS-IBGZPJMESA-N 428.355 5.026 0 40 IKAB O=C(COc1ccc(Cl)cc1)Oc1ccc2oc(=O)sc2c1-c1ccc(Cl)cc1 2696635 FIRDZTOKWMVFMF-UHFFFAOYSA-N 447.295 5.813 0 40 IKAB Cc1ccc(CSc2nc3c(c(=O)n2-c2ccc(Br)cc2)SCC3)cc1 2720049 UONOMDHVMPHPQT-UHFFFAOYSA-N 445.407 5.244 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc(C)c1C 2752726 XIZBKXIXDATIMQ-UHFFFAOYSA-N 436.558 6.071 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@H](c3ccccc3)N(C)C)cc12 3324811 IKMQWHYXUVGEQX-HXUWFJFHSA-N 438.984 5.082 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)C(=O)N(C)c1ccccc1 3352050 XQOBXFNGIGSIKL-GOSISDBHSA-N 446.551 5.276 0 40 IKAB COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)Nc2ccc3ccccc3c2)ccc1OC(F)F 3433344 ITGXIJGFBJUZEU-JQVXPOPVSA-N 441.430 5.033 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 4163403 DKNPZRUGYWSHSX-VOBQZIQPSA-N 444.457 5.157 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nc(C2CC2)nc2sc(C)c(C)c12 4218033 JLKMLCZXTWJRGW-UHFFFAOYSA-N 425.623 6.041 0 40 IKAB CC(C)(C)c1cc([C@H]2CC(c3ccccc3)=NN2c2ccccc2)cc(C(C)(C)C)c1O 5069655 VMIXFKHIBKZRNB-AREMUKBSSA-N 426.604 7.343 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)O[C@H]1[C@H]2CC[C@]2(C)[C@@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 5104373 RWMSDNFAXBDHCY-RRPQVXKFSA-N 446.672 6.555 0 40 IKAB Cc1cccc2cc(CN(Cc3ccccc3)C(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c12 6443531 CDQRMKCNLYHDPS-UHFFFAOYSA-N 438.571 5.977 0 40 IKAB Cc1ccc(NC2=C[C@H](c3cccc(Br)c3)N(c3ccc(C)cc3)C2=O)cc1 8424600 ATYXXWBVRBLZJY-HSZRJFAPSA-N 433.349 6.150 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 8430027 LSEFRFXCYUDJGN-LNOKMCRLSA-N 428.963 6.889 0 40 IKAB Cc1cccc(NC(=O)CSC2=N/C(=C\c3ccc(F)cc3)C(=O)N2c2ccccc2)c1 8438514 UOWIFADNVVUEIL-JCMHNJIXSA-N 445.519 5.250 0 40 IKAB CCCCSc1ccccc1NC(=O)c1sc2nc(-c3ccncc3)ccc2c1N 8451038 FLHVXNNAOXJKAF-UHFFFAOYSA-N 434.590 6.085 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccco1 8620534 LCYZUEBUHOMMIZ-UHFFFAOYSA-N 431.732 5.249 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4ccccc4)c12)COCC3 8706669 FXKNNKZMGGVBDS-UHFFFAOYSA-N 435.936 5.524 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)cc2Cl)o1 8743373 ZRCOSKIKYZGMFU-WIYYLYMNSA-N 433.722 6.791 0 40 IKAB CC(C)CCC[C@H](C)NC(=O)c1c(N)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 8871079 OTOFQXHBCSFACT-INIZCTEOSA-N 449.986 5.754 0 40 IKAB CC1(C)CC(=O)C(C(c2ccc(Cl)cc2Cl)C2C(=O)CC(C)(C)CC2=O)C(=O)C1 8934158 LORDBJNMFSHHRD-UHFFFAOYSA-N 437.363 5.226 0 40 IKAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(OCc2c(F)cccc2Cl)cc1 8951835 VCYUUMSBNMKEEC-SRZZPIQSSA-N 425.818 5.542 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)o2)cc1 8966030 GEMBPYCVPMYJDX-NRFANRHFSA-N 443.528 5.304 0 40 IKAB COc1ccc(C(=O)N2c3ccc(C)cc3[C@H](Nc3ccc(C)cc3)C[C@H]2C)cc1OC 8997067 HWMNAYBHNOGHIA-AUSIDOKSSA-N 430.548 5.913 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c1 9116615 JTERHSTVWUBWIR-UHFFFAOYSA-N 446.601 5.923 0 40 IKAB C[C@H](NC(=S)NC(=O)c1ccc(OCc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 9142354 ISDONNFKCFGCFU-DPDSROAVSA-N 448.632 5.475 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1)c1ccc(F)cc1Cl 9189830 DVSVAZCTKUDWCE-UHFFFAOYSA-N 425.872 5.414 0 40 IKAB O=C(Nc1cccc(-c2csc(NC(=O)c3ccccc3F)n2)c1)c1ccccc1F 9354731 WBIUHBBKYDWJTC-UHFFFAOYSA-N 435.455 5.593 0 40 IKAB Cc1ccc(C)c(Cn2cc(SCC(=O)Nc3cccc(C)c3C)c3ccccc32)c1 9391760 ZDYWLPUKOAGOJW-UHFFFAOYSA-N 428.601 6.654 0 40 IKAB Cc1cccc(C)c1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 9426950 ZLOODGSKTZILTD-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(C2=NN(C(=O)CSCc3ccccc3)[C@@H](c3ccc(F)cc3)C2)cc1 9444077 SPXQDZVNCZNTRS-XMMPIXPASA-N 434.536 5.445 0 40 IKAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(COc3ccccc3Cl)n2C2CC2)cc1 9500512 QMQJHVVUCGGWPF-CQSZACIVSA-N 443.956 5.218 0 40 IKAB O=C(CCC(=O)OCc1ccc(Cl)cc1Cl)Nc1ccc2c(c1)oc1ccccc12 9581448 MCTQNMRTABYBEC-UHFFFAOYSA-N 442.298 6.355 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2ccc(Cl)cc2)on1 9597807 KZWPXPUMWJALNZ-UHFFFAOYSA-N 441.318 5.762 0 40 IKAB Cc1cccc(Oc2ccc(Cl)cc2NC(=O)CCS(=O)(=O)c2ccccc2)c1 9711901 FBQBKHSRLFDROQ-UHFFFAOYSA-N 429.925 5.243 0 40 IKAB Cc1cc(C(=O)CSc2nnc(C)n2C2CC2)c(C)n1CCc1ccc(Cl)cc1 9725740 SAIWBTQZAFFLTF-UHFFFAOYSA-N 428.989 5.211 0 40 IKAB Nc1nc2n(n1)[C@@H](c1ccc(Cl)cc1Cl)C[C@H](c1ccc(Br)cc1)N2 9763451 NXBLBFHPOKCBJE-HUUCEWRRSA-N 439.144 5.076 0 40 IKAB C[C@H](NC(=O)[C@@H]1CS[C@H](c2ccc(Cl)cc2)N1C(=O)OC(C)(C)C)c1ccccc1 9849930 HOWHGGJWBVJQGK-PAXLWEDBSA-N 447.000 5.569 0 40 IKAB O=C(COC(=O)c1cc(Br)c(Br)s1)c1ccc(Cl)s1 10021730 SKBADVPTTXEOJG-UHFFFAOYSA-N 444.553 5.028 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10127540 CLUNOTNNODFYEN-OZZUTDSSSA-N 440.628 6.032 0 40 IKAB Cc1ccc([C@H](NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c2ccccc2)cc1 11374158 YENBZBZYJIPIRF-AREMUKBSSA-N 426.564 5.040 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc(Br)ccc1C(=O)c1ccccc1 11617155 JGVKDELIUOKBKK-UHFFFAOYSA-N 444.328 6.015 0 40 IKAB COc1ccc2cnc([C@H]3CCCN(C(=O)c4nsc(Cl)c4Cl)C3)cc2c1C 12187895 IESCERMJWHYDET-ZDUSSCGKSA-N 436.364 5.335 0 40 IKAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1NC(=O)c1ccc(Cl)nc1 12390301 OHQRGQBSJNJIAW-UHFFFAOYSA-N 445.972 5.039 0 40 IKAB CSCC[C@H](NC(=O)CSCc1ccc(Cl)s1)c1nc2ccccc2[nH]1 12560227 SITSBMCWGXHLHI-HNNXBMFYSA-N 426.032 5.122 0 40 IKAB CC(C)c1ccc(NC(=S)N=[P@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1 12648325 KWFDSGBKLUJAGF-GDLZYMKVSA-N 443.597 6.079 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 12754916 YKMUZVRUKBKQRH-UHFFFAOYSA-N 434.632 6.104 0 40 IKAB Cc1nc(SCC(=O)c2ccc3c(c2)CC(=O)N3C)c2cc(-c3ccccc3)sc2n1 12987645 FWEOVWIZVBKLAE-UHFFFAOYSA-N 445.569 5.161 0 40 IKAB Cc1c(C)n(Cc2ccco2)c2ncnc(NC(=O)Cc3c(Cl)cccc3Cl)c12 13134684 ZNAGZHQZWRSVAB-UHFFFAOYSA-N 429.307 5.177 0 40 IKAB COc1ccc(Cc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1 13454291 WPZACWGUNPVUMW-UHFFFAOYSA-N 431.517 5.126 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3)cc2c1 13566056 SCSIGFLMXWLRCV-UHFFFAOYSA-N 430.939 6.134 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 15981083 HBHBTHSSEDOXMI-SFHVURJKSA-N 445.588 6.278 0 40 IKAB c1ccc([C@H]2N[C@@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@@H]2c2ccco2)cc1 16478164 DDHXGJCURYWKBG-OLUZHXLYSA-N 439.558 7.416 0 40 IKAB O=C(N[C@H]1CCSc2ccccc21)C1CCN(C(=O)c2cccc3ccccc23)CC1 16698983 FKQZRLIRCASIJE-QHCPKHFHSA-N 430.573 5.045 0 40 IKAB Cc1ccc(NCc2nn(CC(=O)c3ccc(C)cc3)c(=S)n2-c2ccccc2C)cc1 16769317 FJUJTYYFHUWASJ-UHFFFAOYSA-N 442.588 5.824 0 40 IKAB O=C(O)c1ccc(Cl)c(NC(=S)NC(=O)c2sc3ccccc3c2Cl)c1 17094300 CZCXGFICOYDPDI-UHFFFAOYSA-N 425.318 5.033 0 40 IKAB CCc1c(-c2cccc(OC)c2)nn(Cc2cccc(OC)c2)c1-c1cccc(OC)c1 17095925 FBFQLVQFEBKNIV-UHFFFAOYSA-N 428.532 5.854 0 40 IKAB COc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1NC(=O)c1ccc(C(C)(C)C)cc1 17095928 QHWOVUWADVIHIP-UHFFFAOYSA-N 428.532 6.670 0 40 IKAB CC1C[C@H](C)N(C(=O)CSc2nc3c(c(C(F)(F)F)n2)CCc2ccccc2-3)[C@H](C)C1 18099035 TYSKRDIOCOSDQX-GOOCMWNKSA-N 449.542 5.389 0 40 IKAB CC1(C)CC(N(Cc2ccncc2)Cc2coc3ccc(Cl)cc3c2=O)CC(C)(C)N1 19461059 DVXJNNJJLVLBSB-UHFFFAOYSA-N 439.987 5.153 0 40 IKAB C[C@H](SCc1ccccc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 20040672 LDIXTTMSOZUBNI-IBGZPJMESA-N 446.616 6.497 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20111616 XKCNDZSWHQQSKG-JOCHJYFZSA-N 438.980 5.779 0 40 IKAB C[C@@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1ccc(F)c(F)c1 23818374 PPZCZGVFIUNAJE-LLVKDONJSA-N 447.835 5.126 0 40 IKAB CC[S@@](=O)c1ccccc1C(=O)OCC(=O)c1c(-c2ccccc2)[nH]c2ccccc12 25256499 JKNCNBCALPZXHQ-HKBQPEDESA-N 431.513 5.002 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccccc3F)ncc2Br)cc1 28293323 ULCNYXUCBJHVLD-UHFFFAOYSA-N 432.318 5.231 0 40 IKAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)Cc1coc(-c2ccc(C)cc2C)n1 29973354 PDCCNOOSAOBSKG-UHFFFAOYSA-N 431.458 5.226 0 40 IKAB CSc1nc(-c2cccs2)nc(C)c1C(=O)NCCCO[C@H](C)c1ccccc1 32425815 XLALKWGZNQMFIU-MRXNPFEDSA-N 427.595 5.133 0 40 IKAB O=C1c2ccccc2[C@@]2(O)[C@H]1[C@H](c1ccccc1)[C@@H](c1ccccc1)[C@]2(O)c1ccccc1 37259942 XIHNGQBYDVKORK-AWYWNVKQSA-N 432.519 5.156 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1C1CCCCC1)Nc1ccc(Cl)cc1 44086246 WQHYURNQJHNRQT-UHFFFAOYSA-N 425.985 6.440 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1OCC 44903687 MAVDBVNJZUULFC-UHFFFAOYSA-N 447.619 6.523 0 40 IKAB CCOc1ccc(-n2nc(-c3nc(-c4ccccc4Cl)no3)c3ccccc3c2=O)cc1 64949814 LYODWCOYYFHMOQ-UHFFFAOYSA-N 444.878 5.155 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C=C(C)/C=C/C=C(C)/C=C\C2=C(C)CCCC2(C)C)cc1 95908362 VRSMJNVXOITYPE-SECULHMASA-N 447.619 7.333 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3ccc(C)c(C)c3)CC2)N=C1c1ccc(C)c(C)c1 96399240 RUNKVPVQXYXGOQ-UHFFFAOYSA-N 448.636 5.899 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cs1)c1c(C)cccc1C 96635011 LZFFQTMDTZRVOK-UDWIEESQSA-N 431.517 5.097 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101068342 IUTLYTNICBKNHE-GVAUOCQISA-N 440.543 5.031 0 40 IKAB CCCCC[C@@H]1[C@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@@]1(O)c1ccccc1OC 101343531 INXGAHHQCIHNOR-IICWPQHPSA-N 443.631 6.897 0 40 IKAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1 102149587 QPYDBSQLXAYYBH-KDYSTLNUSA-N 427.629 5.866 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C[C@@H](c2cccc(Cl)c2)C1 102602878 SYBSIRDXDUIKFS-MZNJEOGPSA-N 426.907 6.150 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@H]2O 123437357 UVKLEPAXPBFJMQ-IVDXEQOSSA-N 447.446 6.671 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 164996865 OQIBPAJRXPAKEG-UHFFFAOYSA-N 449.506 5.954 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(I)cc1)c1ccccc1 216348523 DPRNXJTZTMLKKQ-HXUWFJFHSA-N 427.285 5.119 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cc(Cl)ccc2C)o1 222985561 JGBBAFHIRJQOEU-FCHUYYIVSA-N 425.985 6.076 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 223393186 URTYVFJLFNTEQZ-NRFANRHFSA-N 445.003 5.058 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1C1CCCC1 223854047 RYVVUFMWKCENFY-BJKOFHAPSA-N 432.593 5.498 0 40 IKAB Oc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224473708 KJUHPPKYSFGHBF-DHIUTWEWSA-N 446.963 5.408 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(C(C)(C)C)cc1 224519108 SNFFQXHFQGZTEB-UHFFFAOYSA-N 431.576 5.934 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1cccc(OC)c1 224588269 DMWNDEPBFBTZRK-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)ccc1F 224909985 OLXYYASFLSEZSM-DNQXCXABSA-N 429.520 5.966 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1 225055582 NVGQYDJBIBDOKI-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225080027 IXPGVFWBNWZHSV-LEWJYISDSA-N 438.612 5.003 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCCSCc2ccccc2C)ccc1Cl 225601690 SZZMKPTXIINNCE-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB O=C(CSCc1ccc(Cl)cc1F)Nc1nnc(-c2ccc(Cl)cc2)s1 225608414 ASOVLHRWLMOKMY-UHFFFAOYSA-N 428.341 5.523 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 225640721 ZKBVIIYHYOXAES-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCCC2)cc1C(=O)OC 225763652 IPIAGMUDATYQIL-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB C[C@@H]1CCCCN1c1cc(Oc2ccccc2)nc(NC(=S)NCc2ccccc2)n1 225928338 AZEMANSKOVAAPW-GOSISDBHSA-N 433.581 5.134 0 40 IKAB COc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1 227146145 SFNNHAIRPQYUCQ-SOFGYWHQSA-N 436.817 5.862 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CC[C@H](O)C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@H]1OC3 248328624 BZNIIOGSANMIET-GVYUMKQVSA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro O=C(O)c1sc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1CCCc1ccccc1 257235798 GZNFOSNJQQPLQJ-QFIPXVFZSA-N 448.588 5.313 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)cc3C)nn2-c2ccc(C)c(Cl)c2)c1 408694063 HVOKXCMIHMNSTF-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cc(C)ccc3C)nn2-c2cccc(Cl)c2C)c1 408700022 YLZUISODKZIJPU-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCCc1sc(NC(=O)c2ccc(Cl)cc2)nc1-c1ccc(Cl)c(Cl)c1 408832948 SIJGNHUGTCDMKW-UHFFFAOYSA-N 425.768 6.975 0 40 IKAB COc1ccc(OC)c(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)c1 408972479 CNINXLSRQIXFAH-CAOOACKPSA-N 439.320 5.117 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(Cl)cc2)C(=O)N1CCc1ccccc1 409007354 PMPSLEZABCSWDZ-KQWNVCNZSA-N 449.959 6.198 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1C 409096859 FEAQQJLYMLITFP-UHFFFAOYSA-N 441.387 6.545 0 40 IKAB CCOc1ccc(-n2c(SCc3ccc(F)cc3)nnc2-c2ccc(Cl)cc2)cc1 409101615 PUYKPSMEECCAQB-UHFFFAOYSA-N 439.943 6.418 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1ccncc1 409107003 OCEXATZAJUFFLA-UHFFFAOYSA-N 436.368 5.034 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1CC1CCCCC1 409132353 ZZYKPWNBXOGAAR-HYARGMPZSA-N 425.525 6.021 0 40 IKAB Cc1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c(C)n1C1CCCC1 409143053 YUJODYUSXDVTJB-STZFKDTASA-N 428.529 5.474 0 40 IKAB O=C1N/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1ccc(Cl)cc1 409221585 SIIFAELPELYPRN-GZTJUZNOSA-N 432.785 5.716 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)cc1 409348053 OOEZXVWGZXMJEF-STZFKDTASA-N 438.549 5.157 0 40 IKAB CCOc1ccccc1-c1ccc(C(=O)O)c(COc2ccc(Cc3ccccc3)cc2)n1 585265794 RSGWEWQXUNTDDJ-UHFFFAOYSA-N 439.511 6.015 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1CCC1CCCC1 585266010 YRADZZASGKHLCU-UHFFFAOYSA-N 435.951 6.802 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)o1 858839 PARJLJNHPMXQEH-UHFFFAOYSA-N 431.542 5.967 0 40 IKAB COc1cccc2cc(-c3nnc(SCC(=O)Nc4cccc5ccccc45)n3C)oc12 1105592 LEBLKOCPPPNKPK-UHFFFAOYSA-N 444.516 5.121 0 40 IKAB Cc1ccc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1352874 OXTAJVTWHKDHLH-UHFFFAOYSA-N 433.458 5.349 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3Cl)cc2c1 1353119 QHTODMYZOGHDLB-UHFFFAOYSA-N 437.952 5.786 0 40 IKAB CCCC(=O)N1c2ccc(-c3csc(NC(=O)c4cccc(OC)c4)n3)cc2C[C@H]1C 1365694 XEPQTDMCTAEZJX-OAHLLOKOSA-N 435.549 5.149 0 40 IKAB O=C(c1ccccc1)c1ccc(NC(=S)Nc2ccc(C(=O)c3ccccc3)cc2)cc1 1730268 YJRYNVYJKKLFTM-UHFFFAOYSA-N 436.536 5.958 0 40 IKAB Cc1cc(C)c(OCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C)c1 1902475 SLYXRYSLXHUWAM-UHFFFAOYSA-N 446.978 6.501 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2ccc(OC)cc2)n1C(C)C 2620352 DKYNHFMJFFNYHQ-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB COc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCc2ccccc2)c1 2703538 JNGJTSQUGLNWAL-HSZRJFAPSA-N 445.902 5.243 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4)cc3N2)cc1 3011640 KQQNLEVBHLEXGC-PKOBYXMFSA-N 430.430 5.113 0 40 IKAB COC(=O)NC(=C(c1nc2ccccc2s1)c1nc2ccccc2s1)C(F)(F)F 3277615 OSYNYCYCPQCBDM-UHFFFAOYSA-N 435.452 5.584 0 40 IKAB O=S(=O)(Nc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccc2ccccc2c1 3342864 PPVKWDLVVJQVOA-UHFFFAOYSA-N 438.512 5.160 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(F)cc3)s2)nc2ccc(Br)cc12 3407950 AZDRZMYONIIKGA-UHFFFAOYSA-N 428.282 6.230 0 40 IKAB CCCCCN(CCCCC)CCCNc1c2c(nc3c(OC)cccc13)CCCC2 4404064 BFUOOBHZNJXDCX-UHFFFAOYSA-N 425.661 6.607 0 40 IKAB Cc1ccc2cc(CN(C(=S)Nc3ccc(F)cc3)C3CCCCC3)c(=O)[nH]c2c1C 6410151 KTBYYVAUPAKINT-UHFFFAOYSA-N 437.584 5.816 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8828211 YKCHLDUCMFSSJT-NRFANRHFSA-N 425.532 5.334 0 40 IKAB O=C(OCC(=O)c1cccc2ccccc12)c1cc2cc(Cl)cc(Cl)c2oc1=O 8834667 CROWSOCWLMOHLJ-UHFFFAOYSA-N 427.239 5.293 0 40 IKAB Cc1nc2[nH]c(SCC(=O)Nc3ccccc3C(C)(C)C)nc2cc1Br 9210885 RSCCSYFGPVOZEK-UHFFFAOYSA-N 433.375 5.057 0 40 IKAB Cc1ccc(-c2nnc(SCc3cccc(Br)c3)n2-c2ccccc2)cc1 9309009 NMMAXEORFXXGQD-UHFFFAOYSA-N 436.378 6.298 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 9343899 HISODHXFIPEECA-UHFFFAOYSA-N 446.506 6.533 0 40 IKAB C[C@@H](NC(=O)[C@H]1CCCN(C(=O)Nc2ccccc2)C1)c1ccc(-c2ccccc2)cc1 9446424 UEUYOFXRFJVEFQ-YKSBVNFPSA-N 427.548 5.475 0 40 IKAB COc1cccc(-n2nc(C)c(CCC(=O)N[C@@H](C)c3cccc(C(F)(F)F)c3)c2C)c1 9448602 ASCBUYBNWSKAKY-HNNXBMFYSA-N 445.485 5.327 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(-c2ccccc2Br)o1 9464401 OUXIRCFFKJJOBH-LBPRGKRZSA-N 442.338 5.652 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)c2nc(-c3ccccc3)oc2C)c2ccccc2)c1 9465796 OBIIVZSVNGCZGX-DEOSSOPVSA-N 440.499 5.804 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1cccc(C)c1 9570210 BJWFOFFEORVUCJ-UHFFFAOYSA-N 442.588 5.460 0 40 IKAB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccc(C)c(C)c4)c3c2c1 9676087 PEMDMDXXUYHQEX-UHFFFAOYSA-N 442.360 6.928 0 40 IKAB COCCc1ccc(-c2csc(NC(=O)c3cc(OC)ccc3Br)n2)cc1 9821960 WQQHNODXHXMAIB-UHFFFAOYSA-N 447.354 5.022 0 40 IKAB Cn1c(C(=O)N2CCN(c3ccccc3F)CC2)cc2cc(Oc3ccccc3)ccc21 9892505 MQJUOGQKKNGRTM-UHFFFAOYSA-N 429.495 5.072 0 40 IKAB CC(C)n1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nc2ccccc2c1=O 10864982 UKFCNZBJBGAVBZ-UHFFFAOYSA-N 437.565 5.149 0 40 IKAB Cc1ccc(-c2nc(Cn3ccn4nc(-c5ccc(Cl)cc5)cc4c3=O)c(C)o2)cc1 12414772 VQOLKKGNTUVWEW-UHFFFAOYSA-N 430.895 5.137 0 40 IKAB CC[C@@H](C)N(CC(=O)Nc1ccccc1C(F)(F)F)Cc1cc2ccccc2nc1Cl 13029074 NWMNJUMUNJOGTE-OAHLLOKOSA-N 449.904 6.146 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3F)C3CCCCC3)cc2c1 13513923 UBOGORZSNBESRQ-UHFFFAOYSA-N 439.962 7.011 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 13777066 FEXTXOKTCVPOFJ-SGNDLWITSA-N 444.506 5.174 0 40 IKAB O=C(Nc1cccnc1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 15835352 YUYQHZUKFHVDKM-UHFFFAOYSA-N 430.558 5.567 0 40 IKAB CC(C)c1ccc(-c2cc(=O)c3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3o2)cc1 15881254 GBKJRNBLKWGHPM-UHFFFAOYSA-N 439.555 7.133 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)c(C)c1 16840647 IARPOEROQQXABH-UHFFFAOYSA-N 438.556 5.897 0 40 IKAB Cc1cccc(-c2noc(CSc3nc4ccsc4c(=O)n3CCC(C)C)n2)c1 16843545 PXTOOSVYLYXMKA-UHFFFAOYSA-N 426.567 5.155 0 40 IKAB Cc1ccccc1NC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1ccccn1 17135999 CXFUVIVIMRFADT-UHFFFAOYSA-N 449.023 6.275 0 40 IKAB Cc1cccc(CN2CCC[C@H]([C@@H](NC(=O)CCc3ccccc3)c3ccccn3)C2)c1 19234964 HIXPCWQFYIIFFW-LBNVMWSVSA-N 427.592 5.092 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)cc1 19641123 BSTSFMGEUHJXJC-QGZVFWFLSA-N 444.535 5.269 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cc(Cl)ccc4OC)cc3n2)cc1 19648319 ZRSPTFRJFWTELB-UHFFFAOYSA-N 448.954 5.986 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2cccc3ncccc23)ncc1C(=O)Nc1ccccc1 19755774 MKTLIYMYMZJBGZ-VWLOTQADSA-N 437.547 5.313 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2cccc(Cl)c2)ncc1C(=O)NCc1ccccc1 19764296 VZXDOOWOMCNNPB-QHCPKHFHSA-N 434.971 5.096 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(F)cc2)cc1 20970077 KKGLOEORPKATFD-XMMPIXPASA-N 426.495 5.665 0 40 IKAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21624422 DHPCGPCARNXPCJ-BKMJKUGQSA-N 442.559 5.064 0 40 IKAB CCOc1ccc2nc(NC(=O)c3cccnc3SCc3c(C)noc3C)sc2c1 21973330 VZXTYPQSUSNKJA-UHFFFAOYSA-N 440.550 5.239 0 40 IKAB COc1cc(CNC2CCCCC2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22073687 VNBYPZCNINLBTR-UHFFFAOYSA-N 428.787 6.657 0 40 IKAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)Nc3cccc(OCc4ccccn4)c3)c12 31453712 JEVVXKWTPKRPJX-UHFFFAOYSA-N 449.514 5.170 0 40 IKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1ccc(OCc2ccccc2)cc1 32126956 LGACLVRPHMPZQL-UHFFFAOYSA-N 429.328 6.434 0 40 IKAB Cc1ccc(C)c(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)c1 33067933 FIIWBSPXHAGHIV-UHFFFAOYSA-N 442.519 5.151 0 40 IKAB Cc1ccc(-c2cc(N3CCOCC3)c3cc(NC(=O)c4cccc(C)c4)ccc3n2)cc1 33310112 OGKWWHSDGFCVTH-UHFFFAOYSA-N 437.543 5.608 0 40 IKAB COc1ccc(COc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CCCCC5)cc2)cc1 35316388 GALGAJBPBRNLJS-UHFFFAOYSA-N 432.545 5.508 0 40 IKAB CN(C)c1ccc(/C=C2/S/C(=N/c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 35647709 NNZUUAZMKFNZHU-CXUHLZMHSA-N 425.863 5.316 0 40 IKAB C[C@H](c1ccccc1)N1C(=O)[C@@H](CCC(=O)Nc2ccc(Oc3ccccc3)cc2)N=C1O 36596529 MTZKOBDCISCBKC-WZONZLPQSA-N 443.503 5.084 0 40 IKAB CC[C@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 36760968 QIHHTRPIBBLGDZ-MHLWUJJFSA-N 443.031 5.303 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1 57522939 XPQNJQNAVCOQBE-UHFFFAOYSA-N 444.560 5.020 0 40 IKAB CC(C)[C@@H](NC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1)c1ccc(F)cc1 58172376 DAOYOJBNQHCLHK-XMMPIXPASA-N 435.543 5.206 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1c(C)cc(C)cc1C 59176427 FAICEHJPCFPLII-UHFFFAOYSA-N 438.597 5.150 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3ccsc3)=NN2C(C)=O)cc1 69375166 CJMXCOCAKXEJEL-XMMPIXPASA-N 442.544 5.307 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72214778 AOYSOYIVPZZAQZ-UHFFFAOYSA-N 435.565 5.111 0 40 IKAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1N(C(=O)OC(C)(C)C)C1CCC1 72215542 JAGCFILKXXZPED-UHFFFAOYSA-N 447.576 5.253 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCCN1Cc1ccccc1 72215889 SCNSJQWOKIFVGL-RUZDIDTESA-N 443.591 6.882 0 40 IKAB Cc1cc(-c2cn(C)nc2[C@H]2CC[C@H](CNC(=O)c3oc4ccccc4c3C)CC2)on1 100744063 NZBSTTRQUIQIOZ-HDICACEKSA-N 432.524 5.142 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3ccc(Cl)cc3)C2=C(O)C1 102927909 XWZIIQCMRFMWSQ-FQEVSTJZSA-N 448.872 6.695 0 40 IKAB CC(=O)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@H]3C[C@H](OC(=O)c3ccccc3)[C@]12C 118924350 ISNRJHYMWLUQIR-LXXGQMHISA-N 436.592 5.639 0 40 IKAB Cc1cc(NC(=O)COC(=O)c2ccc(Cl)cc2Cl)cc(C)c1Br 139047844 MIIASCJXXWGTOM-UHFFFAOYSA-N 431.113 5.168 0 40 IKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214877347 VDLLAGLZOKSANS-OVCLIPMQSA-N 443.149 5.992 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222714597 UDRMVHHCMUJLED-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223178064 MPGCRCBFJBOURN-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB COc1cc(C)c(S(=O)(=O)N[C@H](c2ccccc2)c2ccc(C)cc2C)cc1C(C)C 223512569 TXPCBJYTOVBEJQ-AREMUKBSSA-N 437.605 5.812 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C1CC1 223888511 YZCXZLRFDLZEQK-BJKOFHAPSA-N 431.609 5.078 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224018658 YPMDLVWOMLQURG-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccncc1 224155982 MRRFXWDMUDHRPK-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 224196203 ZMPQAWSFEOBTEX-LOSJGSFVSA-N 442.588 5.627 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1C 224279620 ACBNUOVCCCMYOC-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 224342509 SENYIBDCMFMEDV-RPBOFIJWSA-N 430.621 6.128 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCC1 224430026 VHIQZIJEQDASCR-RPWUZVMVSA-N 434.584 5.931 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 224575184 KKXOZZXCJIMPQJ-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1cccc(C)c1 224663593 ORGSSYXJRHTXCE-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1cc(Cl)cc(Cl)c1 224877141 NNDADBOJGCZDLJ-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCOc1ccc(CCC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)cc1OCC 224885067 IBDIDKLZGZBYPR-UHFFFAOYSA-N 431.945 5.227 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)ccc1F 224894634 MHGBXJOEKVPYHW-ZEQRLZLVSA-N 443.551 5.200 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1ccc(Cl)cc1Cl 224971362 IEHVOQMEGQNNQJ-UHFFFAOYSA-N 430.400 6.253 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225132373 FKHGVJVVINHGRB-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 225515352 ZLAYSEFENRKQGC-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534329 ZNYUPJLFAQHRGR-DHIUTWEWSA-N 434.624 5.884 0 40 IKAB Cc1cc(C)nc(Nc2ccccc2C(=O)Nc2ccc(Cc3noc(C(C)C)n3)cc2)n1 225916629 DUYXXDDTGZKEHC-UHFFFAOYSA-N 442.523 5.187 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@H]2C)cc1 260816729 OVVGELCHHFCKGD-HSZRJFAPSA-N 446.676 6.136 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1Cl 408571587 BSUPIRHEAHTYTD-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC(C)C)cc1 408693243 YOVYRNGPGOFOON-UHFFFAOYSA-N 440.590 5.549 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(Br)cc2)n(-c2ccccc2)n1 408696110 WFNDRVKITRIAET-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2cccc(Cl)c2)c1 408699867 WQJFJYXHXWERNT-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB CCOc1cc(/C=C2\S[C@@H](Nc3ccc(CC)cc3)NC2=O)cc(Cl)c1OCC 408767860 QEPHANSXPKGCGD-QUYTYNJFSA-N 432.973 5.299 0 40 IKAB COC(=O)c1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408811358 NNAQWTJHEAPSGC-FEQQAMHBSA-N 435.569 5.527 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(COc2ccc3ccccc3c2)o1 409007096 NPWZOJYEBONCRC-UHFFFAOYSA-N 439.924 5.494 0 40 IKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3cccc(Cl)c3)sc1C2 409054609 UGCCGVLZBPTJGM-UHFFFAOYSA-N 435.730 5.391 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2/C1=C/c1ccc(OCc2ccc(F)cc2)c(Cl)c1 409088403 LMMYNRAQPLWCAC-NVMNQCDNSA-N 447.815 6.570 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@H]2[C@H](c2ccccc2)N3)cc1Cl 409184061 WISDMXRZAMTKGK-ZYAQVELZSA-N 442.990 7.197 0 40 IKAB COc1cc(OC)cc(C(=O)/N=c2\sc(-c3ccccc3)c(-c3ccccc3)n2C)c1 409198956 GJQKFDSWFQHGTM-QPLCGJKRSA-N 430.529 5.179 0 40 IKAB C[C@@H]1CCCCN1C(=O)CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O 409203294 VIBBYCDJLGTVGV-VCRXTVNUSA-N 444.940 5.037 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 409335173 ZCCKPUDNAJZWEO-SFHVURJKSA-N 438.597 5.174 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)c1 409367193 JSBLBFZVWHWNFM-UHFFFAOYSA-N 442.625 5.191 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)cc1C 409383850 LAUNEXRSJGWLKD-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CC=C4C[C@H](OC(=O)CCN5CCCCC5)CC[C@@]43C)[C@H]1CCC2=O 503996192 ZYGWUUXTYQHKMO-STCUNNHWSA-N 427.629 5.306 0 40 IKAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 585291417 CNJIUEYHHMJWJS-YVNCXZRQSA-N 433.581 5.021 0 40 IKAB O=C(NCc1cccc(-c2cccc(C(=O)O)c2)c1)OCC1c2ccccc2-c2ccccc21 1535645713 HBWPUJHVWHMXJE-UHFFFAOYSA-N 449.506 6.091 0 40 IKAB O=C1NCCCc2ccccc2[C@@H](c2ccccc2)N1C1CCN(Cc2ccccc2)CC1 2037978481 YJZOKKBLQMFTSZ-MUUNZHRXSA-N 439.603 5.398 0 40 IKAB Cc1cc(C)c(NC(=O)[C@H](C)Oc2ccc(Br)cc2Br)c(C)c1 682904 ITJVBVAKLJPRFE-ZDUSSCGKSA-N 441.163 5.543 0 40 IKAB COc1cc(C(=O)Nc2ccc(Br)cc2)ccc1OCc1cccc(F)c1 719073 FSMWGIQATANHMQ-UHFFFAOYSA-N 430.273 5.428 0 40 IKAB O=C(Nc1nnc(Cc2ccc(Cl)cc2Cl)s1)c1ccc(Br)cc1 727138 OAEWUKROECUXKU-UHFFFAOYSA-N 443.153 5.451 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 1413880 UEPKHJPFVVKWFH-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CCN(CC)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC)cc1 1758934 ZSTUITHBPNLNIQ-UHFFFAOYSA-N 430.592 5.592 0 40 IKAB CCc1cc(I)ccc1NC(=O)c1cccc2c(Cl)cccc12 1839008 YYZXSVPSIUIGJU-UHFFFAOYSA-N 435.692 5.913 0 40 IKAB CCc1cc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)ccc1Cl 1895860 JFWQNAYAAIQOKP-UHFFFAOYSA-N 439.342 6.012 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccccc3)c2C(=O)Nc2ccc(Cl)cc2)C1 2062341 QNSIWIBYBQXTLA-HNNXBMFYSA-N 438.980 5.960 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(Cl)cc3)c3cccc(C)c3n2)cc1 2079497 YIAKEZHRWCFNJQ-UHFFFAOYSA-N 445.902 5.912 0 40 IKAB CC(C)(C)c1cc(NCc2ccc(Cl)cc2Cl)n2ncc(-c3ccccc3)c2n1 2205001 HGDCVNQFFXONDM-UHFFFAOYSA-N 425.363 6.613 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(c1nnc(CC(C)C)s1)C3=O 2407902 BGJNBFGUMUSOBB-HXUWFJFHSA-N 449.507 5.040 0 40 IKAB O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1CCc1ccccc1 2925274 PRTFSUINUGCAAD-UHFFFAOYSA-N 430.957 5.786 0 40 IKAB Clc1ccc(/C=N/N=C/C2=C(N3CCOCC3)/C(=C/c3ccccc3)CC2)c(Cl)c1 3208789 YGXDHBMIXAEQOA-MATSBHBMSA-N 440.374 5.862 0 40 IKAB CN(C)c1cccc(C(=O)O[C@@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)c1 3279868 VASOPKMZGRJUDH-OAQYLSRUSA-N 443.330 5.596 0 40 IKAB O=C(COC(=O)CCCc1c[nH]c2ccccc12)Nc1c(Cl)cc(Cl)cc1Cl 3293896 JWHKSMLVEFCEDY-UHFFFAOYSA-N 439.726 5.633 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](OC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1 3319196 UJXQHCZIPSWPOG-DEOSSOPVSA-N 431.532 5.838 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)cc12 6321958 CHJVHFSEBCTQEZ-IBGZPJMESA-N 445.588 5.376 0 40 IKAB O=C1C[C@@H](c2ccc(-c3ccccc3)cc2)c2cc(Br)c3ccccc3c2N1 8443978 CXWNEZSOOFKCRD-NRFANRHFSA-N 428.329 6.743 0 40 IKAB COC(=O)c1c(-c2c(Cl)cccc2Cl)noc1/C=C/Nc1ccc(C(=O)O)cc1 8781604 WJLJRIUNTUFTOV-MDZDMXLPSA-N 433.247 5.216 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)c1 8872049 RVOSTYHXLNPYPU-UHFFFAOYSA-N 444.512 5.311 0 40 IKAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)c1 8922627 GSDZZEPAAQFAAK-AREMUKBSSA-N 433.935 5.273 0 40 IKAB CC1(C)CCc2c(c3c(-c4ccc(F)cc4)coc3c3c(-c4ccccc4)cc(=O)oc23)O1 8991743 GFIBFXVTDPPJBT-UHFFFAOYSA-N 440.470 7.116 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(Cl)ccc(C)c3Cl)s2)c1 9507779 LJTIWVLJRNTANY-UHFFFAOYSA-N 439.393 5.936 0 40 IKAB COc1cc(C(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1c(C)noc1C 9630925 NVVOAVWQZRYJFN-ZFGQVMFLSA-N 438.568 5.214 0 40 IKAB CCCNc1nc(Nc2ccc(SC(F)F)cc2)c2cnn(-c3ccccc3)c2n1 9648297 GQKDVGIOQVTXAV-UHFFFAOYSA-N 426.496 5.696 0 40 IKAB Cc1ccc(-n2nc(-c3ccc(Br)cc3)c3cnc4ccccc4c32)cc1C 9676099 XDIBJXWTZLEONY-UHFFFAOYSA-N 428.333 6.620 0 40 IKAB Nc1c(C(=O)Nc2ccccc2)sc2nc(-c3ccc(Cl)cc3)cc(-c3ccco3)c12 12250436 FFTIISIOWURNRD-UHFFFAOYSA-N 445.931 6.711 0 40 IKAB C[C@@]1(c2ccccc2)CC(c2ccccc2)=C[C@@](O)(c2ccccc2)[C@H]1C(=O)c1ccccc1 12384234 WXOFSVGQZXAZRK-OWHBQTKESA-N 444.574 6.819 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1C 12414872 KFMSCNYAUBPZOJ-UHFFFAOYSA-N 429.563 5.318 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)c(F)c1 12414874 SVLKVCNLQXKRDZ-UHFFFAOYSA-N 433.526 5.149 0 40 IKAB C[C@@H](NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 12607703 XCWGKYBZBOQABH-MRXNPFEDSA-N 441.453 5.247 0 40 IKAB C[C@H]1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@@H](C)O1 12620836 JWVCPRQCIKOFRB-KSMMKXTCSA-N 426.866 5.148 0 40 IKAB Cn1c(C[C@@H](NC(=O)c2ccccc2Br)c2ccccc2)nc2ccccc21 12732469 PVNPWVANNGPBEZ-HXUWFJFHSA-N 434.337 5.050 0 40 IKAB O=C(CCCSc1nc2cc(Cl)ccc2c(=O)n1Cc1ccco1)c1cccs1 12822234 HKXQAKBGCVVGNW-UHFFFAOYSA-N 444.965 5.508 0 40 IKAB O=C(Nc1cccc(/C=C(\Cl)c2nc(O)c3ccccc3n2)c1)c1ccccc1Cl 12972998 JSUOYCUUIGCDRL-UYRXBGFRSA-N 436.298 5.978 0 40 IKAB CCOc1ccc2nc(NC(=O)c3ccccc3SCc3cscn3)sc2c1 13010844 IRRXUCUUZLDFOS-UHFFFAOYSA-N 427.576 5.696 0 40 IKAB C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 13038343 QSOBKBBDAPDBDC-SNVBAGLBSA-N 449.165 5.198 0 40 IKAB O=C1c2ccccc2[C@@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1C1CCCCC1 13942370 KNGIVVRBPBEWJW-MHZLTWQESA-N 440.974 7.366 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cccc(Br)c1 13946060 CODNRHJEUUTOME-UHFFFAOYSA-N 439.334 5.987 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1Cl 14155745 BBVUOUNLOUXUJD-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCn1c(-c2ccco2)nn(CN2CCc3sccc3[C@@H]2c2cccs2)c1=S 14183188 XDMGPWSJBYDFBP-GOSISDBHSA-N 428.608 5.422 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2ccccc2F)CC1 14608367 JBVPBDFXJLNMSY-AREMUKBSSA-N 427.523 5.362 0 40 IKAB O=C1N/C(=C/c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1c1cccc(Cl)c1 15013436 XYFJFHAMNQSPHX-XDHOZWIPSA-N 441.339 6.242 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@@H]2/C(C)=C/c2ccccc2)cc1 15413189 KMRGNISAKBRHEX-BHAFLUAZSA-N 440.543 5.164 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)ccc1OCc1c(Cl)cccc1Cl 16196250 ZJCCMKOEXOWEFZ-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB Clc1ccccc1COc1ccc(Br)cc1CNCCc1ccccc1 16479340 IHMPOOHHKRQPJF-UHFFFAOYSA-N 430.773 6.014 0 40 IKAB Cc1cccc(NC(=O)Cn2nc(CSc3ccccc3)n(-c3ccccc3)c2=S)c1 16769471 AAOHFIAFJQSHFL-UHFFFAOYSA-N 446.601 5.643 0 40 IKAB COc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccccc23)Cc2ccccn2)c1 16977649 AQEKJIGHKDWCPY-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 17056669 WCYYXMVPPZMWSF-UHFFFAOYSA-N 448.162 6.387 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)/C=C/c2ccc(C(C)C)cc2)cc1 17095955 PKXCVCVVFVZUIM-VGOFMYFVSA-N 428.532 5.628 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)Cc4ccc(Cl)cc4)cc3n2)cc1 17098272 CHMAAQOIUCNJCS-UHFFFAOYSA-N 432.955 5.906 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ncccc4o3)c2C)cc1Cl 17100898 YGGFZPOEXYAWAW-UHFFFAOYSA-N 436.924 5.287 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 17101798 FRVIRLQOOAKMLZ-UHFFFAOYSA-N 437.952 5.336 0 40 IKAB Clc1ccc([C@@H](CCOc2ccccc2Br)Cn2ccnc2)c(Cl)c1 17108792 PPLWPROWGNAGPZ-AWEZNQCLSA-N 440.168 6.205 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)CC2CCCC2)c2ccccn2)C1 19014387 JOEJFBSVOQAJAR-CMTIOCDXSA-N 431.624 5.635 0 40 IKAB CCC[C@H]1N=C2c3ccccc3N=C(S[C@@H](CC)C(=O)Nc3c(C)cccc3C)N2C1=O 21936148 VUHSNAVHHDKHNF-UXHICEINSA-N 448.592 5.213 0 40 IKAB COc1cc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)[nH]c2c(OC)c1OC 24824304 VKRLSIONUNINGP-UHFFFAOYSA-N 440.883 5.037 0 40 IKAB Cc1nc(COc2ccc(C(C)(C)C)cc2)sc1C(=O)Nc1ccc(Cl)c(Cl)c1 27912824 FTACCCSGMRKGFC-UHFFFAOYSA-N 449.403 6.887 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1OC 30859283 YHAVWNZNCCOBSN-SFHVURJKSA-N 437.561 5.366 0 40 IKAB Cc1nc(NC(=O)c2cc(-c3ccccc3)on2)sc1-c1nc(-c2cccs2)no1 31814540 USRCMAGGHZTKQS-UHFFFAOYSA-N 435.490 5.137 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900641 VDBSCKGRROJIDZ-UHFFFAOYSA-N 443.482 5.525 0 40 IKAB COc1cccc(CC[C@@]2(O)CCC[C@@H]3[C@@H]2CCC[C@]3(O)CCc2cccc(OC)c2)c1 34914718 IPWGEHIMZTUZSY-PUHABZHSSA-N 438.608 5.332 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36357851 FUUAPOJBFKMPDX-UHFFFAOYSA-N 446.938 5.118 0 40 IKAB COc1ccccc1CNC(=O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCC2 36360479 LVSHWVYGYMXKCQ-RUZDIDTESA-N 440.543 5.068 0 40 IKAB CC(C)Cc1ccc(-c2csc(-c3ncc(-c4ccc(CC(C)C)cc4)s3)n2)cc1 44827467 SUVNYRJEQLZYAQ-UHFFFAOYSA-N 432.658 7.998 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(C2SCCS2)cc1 48313328 SRZYPVLJNSQJFD-UHFFFAOYSA-N 425.579 5.266 0 40 IKAB CCCc1cc(-c2nc(C)c(C(=O)Nc3nnc(Cc4ccccc4)s3)s2)ccn1 71283921 DHRMVLOEYULFDZ-UHFFFAOYSA-N 435.578 5.161 0 40 IKAB COc1ccc(-c2nc(CSCC(=O)Nc3ccc(Br)cc3)cs2)cc1 71855217 KYSURKBPACNLDU-UHFFFAOYSA-N 449.395 5.453 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)c1ccccc1)C1CCC1 72215538 GFGXNQNFCCTILZ-QFIPXVFZSA-N 435.568 5.743 0 40 IKAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 72330447 OPUAYHSYFGHNBL-CPJSRVTESA-N 427.539 5.010 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3n2C)n1 72372593 JBOZQBTXFBJQPH-OAQYLSRUSA-N 449.555 5.507 0 40 IKAB O=C(c1ccc(F)cc1)N1CCCC[C@@H]1c1ccnc(Nc2cc(C(F)(F)F)ccn2)n1 72377523 SNSNSPPVHBZWJA-GOSISDBHSA-N 445.420 5.141 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccccc1Sc1ccccc1 89847899 ADQRKSONERFZBI-UHFFFAOYSA-N 426.950 6.363 0 40 IKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(Cl)c1OC(C)C 96767674 QKWPUBOBAUSZTB-GDNBJRDFSA-N 431.941 6.151 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102703524 FWPXXWJCAFWHHE-XPWALMASSA-N 432.907 5.008 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccc(Cl)cc1 107027946 GHSBNTCIYNJNMY-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccccc1Br 215101597 WCZBNOUGHIAMOK-OQLLNIDSSA-N 442.256 5.704 0 40 IKAB O=C(c1cc(Cl)ccc1OCc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 219764954 VLOYVLPDEYHREG-UHFFFAOYSA-N 441.358 5.535 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)NCCSCc1ccc(Cl)cc1Cl 222684995 KWDSIKPURNNHIP-UHFFFAOYSA-N 448.868 6.569 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(OC)c(C)c1 222691054 GDGICNQXKQCFPJ-JOCHJYFZSA-N 449.422 5.790 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC(C)(C)C)c1 222865450 IPWLOVRNAGOPOE-IBGZPJMESA-N 444.616 5.008 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(F)c(Cl)c1 222910803 ODQSOEQUYQRMAL-NHCUHLMSSA-N 428.964 5.293 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 222941967 CSDYHHPMZKLTMU-FQEVSTJZSA-N 441.959 5.504 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccc(C)cc1 223029325 OLJHIGUQVRWTQI-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC2CCCC2)c1 223804937 RSVJDDFBTWDGAA-JOCHJYFZSA-N 448.651 5.701 0 40 IKAB Cc1cc(C)cc(CSCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NCC(C)C)c1 224145031 ZARTWPFKLPAWQI-JOCHJYFZSA-N 440.653 5.035 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Cl)c(C)c1 224204019 RHBMNOKEUQZTTM-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1cccnc1 224459821 GOGUSEADMKUDBF-DHIUTWEWSA-N 445.979 5.406 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)CSc1ccc(Cl)cc1 224555844 UTWVDNBEBXSLIB-JOCHJYFZSA-N 447.044 5.320 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCSc1ccc(Cl)cc1 224669460 WFKZARALVFLVRE-GOSISDBHSA-N 433.017 5.074 0 40 IKAB COc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@H]3c3ccc[nH]3)cc2)cc1 224727754 LSTBEKIIADSUGM-DNQXCXABSA-N 442.544 5.388 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)ccc1Cl 225024987 GKUDWKGVLMIMSM-DHIUTWEWSA-N 437.012 5.749 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225286074 SXYGLNOUHAEDLB-IAGOWNOFSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 225346296 YGIOJLHGDDYXOR-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 225547502 WRBRXXDXYPCDGD-ZJSXRUAMSA-N 438.612 5.021 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CCc2nc(-c3cccc4ccccc34)no2)cc1 225830072 OZSMHPNMZQDVBA-UHFFFAOYSA-N 443.503 5.418 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccco2)NC(=O)c2ccc(C)cc2)cc1 225839723 KVRAMHBNSGBMJQ-KRFWEUHSSA-N 446.547 5.271 0 40 IKAB C[C@@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)NC3CCCCCC3)n2)C1 226010436 JTPCVCUAFMOUFP-GOSISDBHSA-N 439.629 5.514 0 40 IKAB CCOc1cc(COc2c(Cl)cc(CO)cc2Cl)ccc1OCc1ccccc1 408538606 AKCIEADRGAMGGV-UHFFFAOYSA-N 433.331 6.042 0 40 IKAB COc1cc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)c(OC)cc1Cl 408573963 GEHVXIHLMOJSLO-SFQUDFHCSA-N 428.315 6.190 0 40 IKAB Cc1nc(-c2ccc(C(=O)Nc3ccc(I)cc3)cc2)c(C)s1 408580630 QDEAQKPHBVDTHO-UHFFFAOYSA-N 434.302 5.284 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1)N1CCCCCC1 408583247 GPPHRRGNCAKAAM-UHFFFAOYSA-N 442.368 5.202 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2CNc2cccc(C(=O)O)c2)cc1 408613440 UHFRLGFNGSXSQT-UHFFFAOYSA-N 426.310 5.647 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccccc3C)cc2)cc1OCC 408623343 SOSNPODSDUXGQN-UHFFFAOYSA-N 439.939 6.881 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2cccc(Cl)c2)c1 408699512 XKIQUQYROQPZPG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC(=O)c1ccc(C2CCCCC2)cc1 409003695 UGUFUETXMSDKNU-NRFANRHFSA-N 431.573 5.400 0 40 IKAB CC(=O)c1ccccc1OC(=O)c1ccc(COc2ccc(Br)cc2)cc1 409179899 PKHMJYOKLLTZHP-UHFFFAOYSA-N 425.278 5.450 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1ccc(Br)c(Cl)c1 409181788 DXVHPCRUJAKXRF-UHFFFAOYSA-N 435.568 5.596 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1CCc1ccccc1 409203754 YRACWACGLRFACR-XQNSMLJCSA-N 433.504 5.684 0 40 IKAB CC1CCN(C(=S)c2ccc(OCC(=O)Nc3cccc(Cl)c3Cl)cc2)CC1 409238375 NIAFDCWMIJBFTB-UHFFFAOYSA-N 437.392 5.418 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)c(C)c1 409270568 QXWCTGPQEOHBAD-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 409376955 CQNQXOSIRRCEBT-CCOVPTLTSA-N 449.334 5.272 0 40 IKAB Cc1ccc(C(=O)OCC(=O)c2ccc(OCc3ccccc3)cc2)cc1Br 986081 DKUSGLHEILFRMK-UHFFFAOYSA-N 439.305 5.376 0 40 IKAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c12 1224268 IUKJQVRIGVQMIL-GOSISDBHSA-N 431.561 5.067 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COc1ccc(Cl)cc1C 1986317 PNJWQSJWMLUYHU-UHFFFAOYSA-N 429.925 5.571 0 40 IKAB Cc1cc(C)cc(COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2C)c1 2115916 OSKMVTLEMHOLSN-UHFFFAOYSA-N 438.479 6.071 0 40 IKAB biogenic COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2ccccc2Cl)cc1O 2223995 BZXXHYUTGOKHGS-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cccc(C(C)C)c2)cc1 2330041 BCEKQWPUDIFLCL-UHFFFAOYSA-N 442.559 6.055 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC[C@H](C(C)(C)C)C3 2340966 JTRSSLZEUJTIQN-INIZCTEOSA-N 426.651 6.409 0 40 IKAB Cc1ccccc1CSc1nnc2nc3c(c(O)n12)C1(CCCC1)Cc1ccccc1-3 2420979 GRGRSGSEFBNREU-UHFFFAOYSA-N 428.561 5.466 0 40 IKAB Cc1ccc(Cl)cc1NP(=O)(Oc1ccc(Cl)cc1)Oc1ccc(Cl)cc1 2592890 KMKSRGFKFZZLJF-UHFFFAOYSA-N 442.666 7.633 0 40 IKAB CCCCCCC(=O)N[C@@H](NC(=S)Nc1ccc(Cl)cc1)C(Cl)(Cl)Cl 2678314 WHUBWYDDQGMSGL-AWEZNQCLSA-N 445.243 5.409 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(NC4CCCC4)ncnc32)cc1 2714544 UQRLDQKAEFUZFJ-UHFFFAOYSA-N 433.353 6.205 0 40 IKAB Cc1ccc(C(=O)Sc2nnc(-c3ccncc3)n2-c2ccc(Cl)c(Cl)c2)cc1 3328474 SYBYIPFKEGQSPZ-UHFFFAOYSA-N 441.343 5.877 0 40 IKAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1Cc1ccccc1 3408545 PXFPPSOMPLCYKE-GOSISDBHSA-N 444.560 5.546 0 40 IKAB Cc1cccc(C(=O)Nc2c(C(=O)c3ccc(Br)cc3)oc3ccccc23)c1 3655354 JODFLCNCQCCHAQ-UHFFFAOYSA-N 434.289 5.987 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)C 3864903 ITBZCTBEJMCLOU-LUVQKMASSA-N 430.610 7.109 0 40 IKAB CCC(C)(C)[C@@H]1CCc2oc3cc(C)c(NS(=O)(=O)c4ccc(C)cc4)cc3c2C1 4735781 DSYFTFPCOMTHDI-GOSISDBHSA-N 425.594 6.392 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(Cl)cc1 4786597 WGOKMNKWXWSQET-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)cc1 5180328 LDQGJZOUJXXAOB-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB CCCCCCOC(=O)/C=C(/CC(=O)OCCCCCC)C(=O)OCCCCCC 5820295 NTXWYMGTJGKIRK-VZCXRCSSSA-N 426.594 5.673 0 40 IKAB Cc1nccc(Sc2ccc(Cl)cc2)c1Oc1ncc(C(F)(F)F)cc1Cl 8763261 OQQDOXQQGQICQJ-UHFFFAOYSA-N 431.266 7.054 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 9308985 OXZWOHVFDRJCCA-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2Cl)n(Cc2ccco2)c1C 9410861 LJPUXPQYMBESFE-UHFFFAOYSA-N 444.922 6.195 0 40 IKAB Cc1nn(CC(C)C)c(Cl)c1C(=O)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1 9466184 UHDKPLJPKVLZCQ-UHFFFAOYSA-N 439.972 5.781 0 40 IKAB Cc1nc2cc(NC(=O)c3cc(-c4ccccc4C)nc4c3cnn4C(C)C)ccc2o1 9709834 BWQTTXCUHRBTQA-UHFFFAOYSA-N 425.492 5.690 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(Cl)cc2)nc2c(oc3ccccc32)c1=O 9749290 IHMDXCZFNUNBPS-UHFFFAOYSA-N 441.940 5.327 0 40 IKAB CC(C)(C)c1cc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c3ccccc23)on1 9864023 OELKFAKMOXSQAF-UHFFFAOYSA-N 436.512 5.452 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 11088103 COYXKENZRWYIDL-KRWDZBQOSA-N 446.938 5.835 0 40 IKAB CCc1ccc(NC(=O)c2nc(SCc3ccc(F)cc3)ncc2Br)cc1 11916314 CQJUKARPTHKJIO-UHFFFAOYSA-N 446.345 5.485 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@@]23C(=O)N(CC)c2ccccc23)cc1 12410931 VPWRRIXHADBIEQ-HHHXNRCGSA-N 425.532 5.321 0 40 IKAB CCN(CC)Cc1nc(NCc2cn3cc(Cl)ccc3n2)c2c(C)c(C)sc2n1 12550708 GQNYTLARHKHJAK-UHFFFAOYSA-N 428.993 5.063 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CC(=O)N(C)[C@H](C)c1cccc(NC(=O)c2ccccc2)c1 12754406 HOVXFPKSTVBRMV-HXUWFJFHSA-N 446.595 5.170 0 40 IKAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N(C)CC(=O)Nc2c(C)cccc2C)cc1Cl 13039655 WKMUUZGGWLPBFK-RUZDIDTESA-N 449.982 5.516 0 40 IKAB CC[C@H](C)/C=C(\C)CCC[C@H](C)/C=C(C)/C=C(\C)C[C@@H](C)c1oc(=O)c(C)c(O)c1C 13312150 ZPFTUJZLXSKBKE-QLAPPLHNSA-N 428.657 8.147 0 40 IKAB biogenic COc1ccc(C(=O)N/C(=C\c2ccc(Br)cc2)c2nc3ccccc3[nH]2)cc1 13590825 MLALGXASONXJIF-STZFKDTASA-N 448.320 5.262 0 40 IKAB COc1cccc(C(=O)Nc2oc3ccccc3c(=O)c2-c2ccc(Cl)c(Cl)c2)c1 13591414 BEBAKIPIQLLOTF-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1c(Cl)cccc1Cl 13709195 JQEQNAYEBPCGND-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2Cl)cc1 14154822 RYAZARAYHSDZMX-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2cccs2)[C@H]1c1ccc(OC)c(OC)c1 14608116 SERQONPIDLCSKS-QFIPXVFZSA-N 433.533 5.505 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(OC)cc4)cc3)nc2c1 17096943 FFDNLCVPDIKJOU-QGZVFWFLSA-N 430.504 6.034 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]21 19334360 NKIHNIKKZXCIHK-HJOGWXRNSA-N 438.543 5.157 0 40 IKAB CC(C)CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19446643 NLOUZHBDVCTNBO-MBSDFSHPSA-N 434.411 5.504 0 40 IKAB C[C@@H](C(=O)N1CCC([C@@H]2C[C@H](C(F)F)n3nc(C(C)(C)C)cc3N2)CC1)c1ccccc1 19459090 DNHFYMJPFVGGGC-LSTHTHJFSA-N 444.570 5.213 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CCN(C)C3 20023717 UBMYGKNMDJVFOR-UHFFFAOYSA-N 427.639 5.416 0 40 IKAB OC(CNCc1ccc(Cl)cc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365346 GEMFEHGELLSSBX-UHFFFAOYSA-N 441.185 6.326 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3cccc(Cl)c3)CC2)N=C1c1ccccc1 20578433 IUMAHVDVRIAKFU-UHFFFAOYSA-N 426.973 5.319 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)CC(C)C)cc3s2)c(C)c1 20895016 ITRQXRMHNFHZNQ-UHFFFAOYSA-N 427.595 5.629 0 40 IKAB CCOc1ccc(-c2noc(-c3cnn4c(C)c(Cc5ccccc5C)c(C)nc34)n2)cc1 21657836 NHCKREMODBXTGQ-UHFFFAOYSA-N 439.519 5.361 0 40 IKAB Fc1ccccc1COc1ccc(Br)cc1CNC1C2CC3CC(C2)CC1C3 22073844 ZPBBVTVEOXLMKA-UHFFFAOYSA-N 444.388 6.082 0 40 IKAB Cn1c(SCc2nc(-c3ccccc3)no2)nc2cc(-c3ccccc3)sc2c1=O 23127070 COHCZIPKGJSVIQ-UHFFFAOYSA-N 432.530 5.004 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc2c(c1)OCCO2 25394843 QFSDDLFTINUYIL-UHFFFAOYSA-N 428.513 5.490 0 40 IKAB CCCOc1c(Br)cc(C(=O)N2CCC[C@@H]2c2ccc(OC)cc2)cc1OC 27394877 BZNVEZDNYDZVRV-LJQANCHMSA-N 448.357 5.232 0 40 IKAB CC(=O)c1cccc(NC(=O)Nc2ccc(-n3nc(C)c(Br)c3C)cc2)c1 27924728 SXBAFPNSFQXDIF-UHFFFAOYSA-N 427.302 5.098 0 40 IKAB Cc1ccccc1CN1CCC(C(=O)Nc2ccc(CSc3ccccc3)cc2)CC1 39752791 PRRADXKJSKWRMV-UHFFFAOYSA-N 430.617 6.138 0 40 IKAB Cc1cc(OC(=O)[C@@H](N)CCCCN)cc2c1[C@]1(C)CC[C@H]3C(C)(C)CCC[C@]3(C)[C@H]1C2 43154456 FETXNEPHJSHBDW-HLSUJQSVSA-N 440.672 5.413 0 40 IKAB O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1ccc(CNC(=O)c2cccs2)cc1 58295119 UHSQECLGJIAVDP-UHFFFAOYSA-N 430.533 5.074 0 40 IKAB O=[P@@](Nc1ccc(SC(F)(F)F)cc1)(OCC(F)(F)F)Oc1ccccc1 100754208 KYOGHBDDQHHEKV-SANMLTNESA-N 431.294 6.476 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)O)[C@@H]4C=C[C@H]3[C@H]3C[C@H]43)cc2)cc1 102093706 ZRHFBCGGZHHNBG-GSZVYYIFSA-N 431.532 5.484 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 106717866 MIXNINLKPHDKMI-UNOMPAQXSA-N 436.360 6.409 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(Cl)c1OCc1ccc(Cl)cc1 107043117 DGIPDBRSRFWCQE-UHFFFAOYSA-N 430.375 7.200 0 40 IKAB O=C1S/C(=C/c2cccc(C(F)(F)F)c2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 214851575 GRSNTVDPSIPCBL-OVCLIPMQSA-N 432.250 6.249 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)c3ccc(OCc4ccccc4Cl)cc3)n2)cc1 218992944 YHCISMQSWXFWFQ-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 222612881 WGXIZOBTBKPKLD-GJZUVCINSA-N 436.640 5.507 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 222756441 DQHJFUCAHXPYCJ-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 223002164 RMHYFASSAOFJQY-AREMUKBSSA-N 428.576 5.070 0 40 IKAB Cc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@@H]3C)cc1Cl 223104785 NLVCUCKWQGFZTC-NSHDSACASA-N 431.717 5.095 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 223166802 ITZVQWCWZDMKAG-NRFANRHFSA-N 445.003 5.058 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cc(C)cc(C)c1C 223258725 LEUZAGHZIDGWTL-QHCPKHFHSA-N 438.612 5.021 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223361193 JTMVFHNUWXPSSB-NRFANRHFSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 223809040 JMHFKFYQDMADTN-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](C)C(=O)NC1CCCC1 223939543 XBFLGECJEIWDDS-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 223944778 AYPGJTSCXKCVOU-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C)(C)CC(C)(C)C)ccc2C)c(C)c1 223971552 UAHUHQSQIKEOQT-UHFFFAOYSA-N 430.614 5.357 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1cccc(C)c1 224229068 HPFFTLKOQNHEEG-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB O=C(NCc1cccc(CN2CCCCC2)c1)c1ccccc1SCc1ccccc1 224668827 DIYHDOPWVNBCGB-UHFFFAOYSA-N 430.617 5.895 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224890864 XRUZVJRHDLUKRZ-INIZCTEOSA-N 427.342 5.174 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(Cl)ccc3C)o2)cc1 224918335 TXGZDEKEQBDZMN-UHFFFAOYSA-N 432.907 6.621 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cccc(I)c1 224961291 IOOHRPHIUZNCMW-UHFFFAOYSA-N 445.325 5.836 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCSCc1c(Cl)cccc1Cl 224971720 UJOIOBNQKKSYAE-UHFFFAOYSA-N 430.400 6.253 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 224980742 CIUHZSSACBJIDW-UHFFFAOYSA-N 429.967 5.320 0 40 IKAB C[C@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225516519 AMSIGEYRXNBIMC-NRFANRHFSA-N 438.587 5.777 0 40 IKAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 225595561 MRAARSIQOMPETG-UHFFFAOYSA-N 440.540 5.485 0 40 IKAB CCOC(=O)c1cccc(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1C 225751199 DEAHERDEDHWRGZ-MRXNPFEDSA-N 430.570 5.017 0 40 IKAB C[C@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccccc2Cl)n1 225938555 QBOONEBBMKCJSP-LBPRGKRZSA-N 443.926 5.014 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(NC(C)=O)cc4)C3)c2)cc1 257201028 AFVZDMYBDYHHOV-JOCHJYFZSA-N 443.547 5.044 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)CC1)C1(c2ccccc2)CCOCC1 257226991 FNDCOSMDQJZTMT-QFIPXVFZSA-N 428.576 5.154 0 40 IKAB Cc1ccc(F)c(NC(=O)C(C)(C)N2CCC(c3cccc(Nc4ccccn4)n3)CC2)c1 257249052 JGMQLFOBSQWBNS-UHFFFAOYSA-N 447.558 5.264 0 40 IKAB CCCC(=O)N[C@@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4ccc(OC(F)F)c(OC)c4)OCC[C@@]31C2 257313585 UTGYDEIXSGOLJV-XQKXNWCXSA-N 437.527 5.095 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(Br)c2)n(CC)c1-c1ccc(C)cc1 408562307 OTHFWPNEBKTJRG-GYHWCHFESA-N 443.410 6.001 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)cc1 408562390 PIIUNKCNUWDMNQ-GYHWCHFESA-N 443.410 6.001 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)C(=O)[C@@H]2C1 408689944 ZUQPAIKNWXTIQT-GOEBONIOSA-N 429.303 5.091 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)c1 408696976 CYWPLDJZJTVWIS-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)cc1 408700170 ZFMWTQVTMZVVOE-UHFFFAOYSA-N 438.462 5.488 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc2sc(C(=O)N3CCCCC3)cc2c1 408713215 OJEZRAYQSRSNSD-UHFFFAOYSA-N 428.941 5.442 0 40 IKAB COc1cccc(/C=C2\N=C(c3sc4cc(Cl)cc(Cl)c4c3Cl)OC2=O)c1 408969005 FQCFPGAYIAIOEM-MLPAPPSSSA-N 438.719 6.215 0 40 IKAB COC(=O)c1ccc(/C=C2\N=C(c3sc4cc(Cl)ccc4c3Cl)OC2=O)cc1 408971766 KXEWOJRMKWCHMU-ZSOIEALJSA-N 432.284 5.339 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3ccccc3Cl)c(Cl)c2)cc1Cl 409118482 NLWRFXGNVIDYMX-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB COCCN1C(=O)S/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)C1=O 409128779 UGUQBIYDANNSRK-VCHYOVAHSA-N 438.332 5.255 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccccc3C)cc2Cl)cc1Cl 409252110 SOWRPULHDNGCLE-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CN1CCOc2ccccc2CCCCC2(CCN(Cc3cccc4[nH]ccc34)CC2)C1=O 643562199 MNXOJNMEINQEPL-UHFFFAOYSA-N 445.607 5.014 0 40 IKAB Nc1c(C(=O)N2c3ccccc3Sc3ccccc32)sc2nc3c(cc12)CCCC3 688342 PDPCUSUSLODSPE-UHFFFAOYSA-N 429.570 6.200 0 40 IKAB O=C(Nc1cccc2ccccc12)c1cnn2c(C(F)(F)F)cc(-c3ccccc3)nc12 799072 CKHUXXWXBZGOEI-UHFFFAOYSA-N 432.405 5.821 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F 800164 WUCPATQBYQPQEQ-QGZVFWFLSA-N 444.906 5.093 0 40 IKAB O=C(COC(=O)c1cccc(NC(=O)c2ccccc2)c1)c1ccc(-c2ccccc2)cc1 836544 YIZGMCZHZKXONQ-UHFFFAOYSA-N 435.479 5.646 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2Cc2ccccc2)cc1 900629 VOPQHISKOCDDCK-UHFFFAOYSA-N 444.560 5.123 0 40 IKAB O=S(=O)(Nc1ccc(Oc2ccc3ccccc3c2)cc1)c1cc(Cl)ccc1Cl 991944 OULGKEMJJMEKJR-UHFFFAOYSA-N 444.339 6.740 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)c1ccco1 1341745 MYTGPBSVDACOCW-QFIPXVFZSA-N 440.927 5.359 0 40 IKAB Cc1ccc(SC2=C(Nc3cc(Cl)ccc3C)C(=O)N(Cc3ccccc3)C2=O)cc1 1907281 IAZZQLWCIXXTQY-UHFFFAOYSA-N 448.975 5.942 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(SC)cc1)Nc1ccccc1-2 2073676 GWXZMCUDGAGMQB-OAQYLSRUSA-N 438.622 6.436 0 40 IKAB CCC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccc(OCc2ccccc2)cc1 2263401 JTCQHBAZHORCTE-AOMKIAJQSA-N 437.565 5.304 0 40 IKAB CCOc1ccc(/N=c2\cc(-c3ccc(OC)cc3)cc(OCC)c3c(C)oc(C)c23)cc1 2432171 VZDVIWYZRPUTMD-XLVZBRSZSA-N 443.543 6.755 0 40 IKAB O=S(=O)(Nc1ncnc2scc(-c3ccc(Cl)cc3)c12)c1ccc(Cl)s1 2641890 KRRKHTZPSGFQRD-UHFFFAOYSA-N 442.374 5.527 0 40 IKAB Cc1ccccc1-n1c(SCCCC(=O)c2ccc(F)cc2)nnc1-c1ccncc1 2642539 QYHZSJOGHMNTKR-UHFFFAOYSA-N 432.524 5.532 0 40 IKAB O=S(=O)(Nc1ccccc1Oc1c(Cl)cc(Cl)cc1Cl)c1ccccc1 3065550 CRUJQQBZEZFQTI-UHFFFAOYSA-N 428.724 6.240 0 40 IKAB O=S(=O)(CC(O)(c1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccccc1Cl 3128215 QUTBTJZIAWJPGI-UHFFFAOYSA-N 441.763 5.357 0 40 IKAB CC(C)CCN(CCC(C)C)P1(=O)C=C(c2ccccc2)SC(c2ccccc2)=C1 3174577 WGYULKMGERUACO-UHFFFAOYSA-N 439.605 8.403 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccccc3)nnc2-c2ccccc2Cl)c1 3220302 DOKBIGAXSFCHNS-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1c(Cl)cccc1-n1c(-c2ccncc2)nn(CN2CCc3ccccc3C2)c1=S 3243606 DHFRAEQLFRNRIK-UHFFFAOYSA-N 447.995 5.443 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2-c2c(C)c3cc(F)ccc3oc2=O)cc1 3374880 OYMXTFIFTOQGQO-UHFFFAOYSA-N 427.500 7.006 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3ccc(C(C)C)cc3)N2C1=O 3636793 QRGHJGZLQRGBAF-GGAORHGYSA-N 448.588 5.592 0 40 IKAB O=C(CSc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(F)c1)c1ccccc1 3658705 OPSMNCYTKOTBOS-UHFFFAOYSA-N 439.515 6.202 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)n2)cc1OC 4757767 DUGYWDXJMJCOLK-NYHFZMIOSA-N 435.490 5.585 0 40 IKAB COc1ccc(NCc2nnc(SCc3ccc(Cl)cc3)n2-c2ccccc2)cc1 6136722 OMBQKQQJNXNBLU-UHFFFAOYSA-N 436.968 5.834 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2cc(Cl)cc(Cl)c2)cc1 6143795 MXTINYZEBJQTFE-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)c1 6146675 ZFECLBZPQNTKHY-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1cc(NC(=O)COc2ccc(-c3nc4ccccc4s3)cc2)c2ccccc2n1 6183474 LPPDIPKPEISFLI-UHFFFAOYSA-N 425.513 5.837 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 8346078 PKYUGNIAUZDCAT-HXUWFJFHSA-N 427.548 5.475 0 40 IKAB Clc1cccc(Cl)c1[C@@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 8665392 QJKYPKWPSHZWHV-RGHJJJJLSA-N 427.375 6.655 0 40 IKAB CC1(C)SC(=S)N(Cc2ccc(F)cc2)[C@@H]1N(O)C(=O)Nc1cccc(Cl)c1 8934568 YZYJIQBWKOZQNA-MRXNPFEDSA-N 439.965 5.341 0 40 IKAB COc1cccc2cc(C(=O)N(Cc3ccccn3)c3nc4c(F)cccc4s3)oc12 8962638 BZPHWFYGDWLNCT-UHFFFAOYSA-N 433.464 5.432 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCN(Cc2ccc(Cl)cc2)CC1 9063415 MEFLDMLGNYDBAE-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB O=C(Nc1cccc(NC(=S)NC(=O)c2ccccc2Cl)c1)c1cc2ccccc2o1 9064511 IMXVRFKTKDOVAI-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N[C@@H](Cc1ccccc1)c1ccccc1 9222150 FADZCWZPGVPARO-NRFANRHFSA-N 433.508 5.068 0 40 IKAB C[C@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(Br)cc2F)o1 9500556 CZJWOIZOWBMTAO-JTQLQIEISA-N 427.270 5.543 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)cc1Cl 9665538 WSJGIWILDRJIOL-OAHLLOKOSA-N 440.878 5.268 0 40 IKAB CC(=O)Nc1cccc(C(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)c1 9670954 KBKFMQGHZOMSOL-NRFANRHFSA-N 431.923 5.342 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3nc4ccccc4s3)[C@@H](c3ccco3)C2)cc1 9730141 SAXQCKVLTJAQCM-LJQANCHMSA-N 449.557 5.368 0 40 IKAB Cc1ccc2c(c1)[C@](C)(c1ccccc1)CC(C)(C)N2C(=O)c1ccc(Cl)c(Cl)c1 9860933 KRSFCLUIAVQDQG-SANMLTNESA-N 438.398 7.437 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)/C(=C/c3ccc(C(F)(F)F)cc3)C[C@H]12 10272235 UELTYJDTQILMTO-JODJSYTCSA-N 446.553 6.671 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CC(=O)N4CCCCC4)c(C)c3cc2c1-c1ccccc1 11867596 BKZANDINKUZWET-UHFFFAOYSA-N 429.516 5.686 0 40 IKAB CCOc1ccc(-n2c(S[C@H](C)C(=O)N(C)c3ccccc3)nc3ccccc32)cc1 12542869 XJKOKULOLLHHHR-GOSISDBHSA-N 431.561 5.568 0 40 IKAB CCn1c2ccccc2c2cc(CN(C)Cn3nc(-c4cccnc4)n(C)c3=S)ccc21 12558105 UZCOWCDYBHFNLL-UHFFFAOYSA-N 442.592 5.230 0 40 IKAB CCOc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1OCC 12588480 NYXYORDOYYMGDT-GFCCVEGCSA-N 430.854 5.595 0 40 IKAB C[C@@H]1CN(C(=O)c2ccccc2NC(=O)c2sc3ccccc3c2Cl)C[C@@H](C)O1 12782171 QGDZFORVMHQMKU-ZIAGYGMSSA-N 428.941 5.056 0 40 IKAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 12926161 PZFBWVCLPCVFIA-DEOSSOPVSA-N 437.543 5.219 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1 13040355 PMZQKEXAVHHNKZ-HSZRJFAPSA-N 439.481 5.207 0 40 IKAB CC(C)[C@H](C)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 13098731 PKGVFMYEOALGLD-HNNXBMFYSA-N 435.515 5.356 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc2c(c1)OCCO2 13140995 YOLLSJIOSBFXKJ-UHFFFAOYSA-N 444.921 5.351 0 40 IKAB CCC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2cc(C)ccc2[nH]c1=O)C1CCCC1 13500135 VOVWKJUKKGOZLP-XMMPIXPASA-N 448.615 5.224 0 40 IKAB CC[C@@H](C(=O)Nc1cc(Cl)c(Cl)cc1Cl)N(c1ccc(C)cc1)S(C)(=O)=O 13713939 MLTCIRHDMPOMSU-KRWDZBQOSA-N 449.787 5.139 0 40 IKAB COc1cc(CNCCc2ccccc2)cc(Br)c1OCc1ccccc1 16195715 ARJXGWOOKBOION-UHFFFAOYSA-N 426.354 5.369 0 40 IKAB COc1ccc(Nc2nc(NCCC3=CCCCC3)nc3c2cnn3-c2ccccc2)cc1 16954257 UJDAPWZYXPRTRE-UHFFFAOYSA-N 440.551 5.870 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 17095404 KCAVNFDGOPKDTN-GOSISDBHSA-N 427.500 5.991 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(C)cc(C)c4o3)cc2)cc1 17095967 MCTVGIGNSNCFLI-SFHVURJKSA-N 428.532 6.643 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)nc2c1 17102662 NWBBSQQMGVIHLB-CFIBSBMNSA-N 438.571 7.784 0 40 IKAB O=C(CSc1nccn1-c1cccc(C(F)(F)F)c1)Nc1ccc(Cl)c(Cl)c1 17155378 NOWDUXQKXCSPSP-UHFFFAOYSA-N 446.281 5.929 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(Cl)ccc2C)cc1 17209332 JHIWSDYSAGMUTD-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 18023916 SEPGHCCRPAHPBO-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 19081969 QSUNDQZKZQFYRI-NVQXNPDNSA-N 449.639 5.519 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 19400666 IJYQIGXWGGCOGZ-HOFKKMOUSA-N 447.623 5.273 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3C)n2)cc1OC 19641019 LJCNOMJFMBFBQU-UHFFFAOYSA-N 444.531 5.608 0 40 IKAB Cc1cc(Cc2c(F)cccc2F)cc(C2CCN(C(=O)c3cc(C(C)C)n[nH]3)CC2)n1 19691575 KUWKBMKREUSXQG-UHFFFAOYSA-N 438.522 5.125 0 40 IKAB Cc1cc(Cc2ccc(Cl)cc2)cc(C2CCN(C(=O)Cc3csc(C)n3)CC2)n1 19691842 NQXNQTLEBWORND-UHFFFAOYSA-N 440.012 5.348 0 40 IKAB Brc1ccc2nc(SCc3ccc(I)cc3)[nH]c2c1 20765222 ULDFDSFDPFHHNX-UHFFFAOYSA-N 445.123 5.222 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COC(=O)CCc2ccc3ccccc3n2)cs1 21432382 MRGDYASOWZVILB-UHFFFAOYSA-N 431.517 5.052 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNC2CCCC2)c(Cl)c1 22074259 IJVHBCGCICOVIM-UHFFFAOYSA-N 429.185 6.367 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCc3ccccc3Cl)nc2c1 25422790 PECCBVOJXSZJCV-UHFFFAOYSA-N 448.975 5.972 0 40 IKAB Cc1ccc(-c2nonc2NC(=O)c2oc3cc(Br)ccc3c2C)cc1C 27662269 QYMSLCBOTZWXEX-UHFFFAOYSA-N 426.270 5.423 0 40 IKAB CCOc1ccc(N(Cc2nc3n(n2)CCCCC3)C(=O)Nc2cccc(Cl)c2)cc1 28527779 SBMBPLQNSVRNPG-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Br)cc3)c3ccccc23)cc1 28535151 DZHYPDJHDOPELS-UHFFFAOYSA-N 448.320 5.235 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)CCOc4ccc(F)cc4)cc3)o2)c1 30947277 NWWPUKUSZTYKEE-UHFFFAOYSA-N 431.467 5.002 0 40 IKAB CC(C)c1c(C(=O)Nc2nc(C(C)(C)C)cs2)cnn1-c1ccc(C(F)(F)F)cn1 31835543 CRFPGSYZWXLRMI-UHFFFAOYSA-N 437.491 5.416 0 40 IKAB COc1cc(-c2nc3sc4ccccc4c3c(=O)[nH]2)ccc1OCc1ccc(Cl)cc1 32125242 XDPDRBXECCJLJT-UHFFFAOYSA-N 448.931 6.046 0 40 IKAB CCc1ccc(NC(=S)Cc2nc(Oc3ccc(Br)cc3)n(CC)n2)cc1 32615257 YWOJCXQNIOTGKQ-UHFFFAOYSA-N 445.386 5.397 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)cc1C 33784035 QNGZCEBPJDHEGP-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1Cl 34965792 JWNQDTUABAYSQZ-NSHDSACASA-N 425.779 5.743 0 40 IKAB COc1cc(-n2cccc2)c(Cl)cc1C(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 58265159 WWGKIGMCMRSVRH-UHFFFAOYSA-N 437.849 5.476 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CC(c2nc(-c3cccc(Cl)c3)no2)C1 70637102 XWZBQUKHKSMKLR-UHFFFAOYSA-N 429.907 5.148 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@@H](C)[C@@]5(O)C[C@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 70664508 KEOLCBLQBIWDBI-NZNBMRQTSA-N 446.672 5.155 0 40 IKAB biogenic CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@@H]1CCCN1C(=O)OC(C)(C)C 72215860 CMJGOEBDLJFSGN-FQEVSTJZSA-N 439.556 6.227 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2)o1 72229912 JKSLZFQEEHPTQR-HSZRJFAPSA-N 438.310 6.587 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 72345116 CFILZXKUNPQXKT-OAQYLSRUSA-N 448.582 5.136 0 40 IKAB FC(F)(F)c1cccc(-c2noc(C3CN(Cc4ccc(Br)cc4)C3)n2)c1 77191102 NQKVKIBKGCFQLV-UHFFFAOYSA-N 438.247 5.117 0 40 IKAB Cc1cc(C(=O)Nc2nnc(-c3ccccc3Cl)s2)c(C)n1Cc1cccs1 95369456 IGHVHJKISKECQF-UHFFFAOYSA-N 428.970 5.639 0 40 IKAB COc1ccc2cc(C(N)=O)/c(=N/c3ccc(-c4nc5ccc(C)cc5s4)cc3)oc2c1 96581219 OHRYAJBZXQASQX-PNHLSOANSA-N 441.512 5.358 0 40 IKAB CCc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 100946023 SDKLWRWAVXGWGH-PVHODMMVSA-N 448.522 5.453 0 40 IKAB O=C(c1ccsc1)c1ccc(CNC(=O)C2c3ccccc3Oc3ccccc32)s1 211084662 GCRHSUZHNDMEJT-UHFFFAOYSA-N 431.538 5.595 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2C)o1 222984317 KKZXXHKKBJROGX-FCHUYYIVSA-N 425.985 6.076 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 223358835 JQNPGTLZLXOQKJ-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223475484 YUZFWPPRCIMRSA-OAQYLSRUSA-N 444.641 5.338 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccc(C)cc1 224122165 SJJNFUUYOGGNFH-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB CC(C)(C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 224160735 BRJCONZPDBEQJO-SANMLTNESA-N 442.603 5.174 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cccc(Cl)c3)c2)cc1 224340376 DDSAXABKBIZZET-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccccc1C 224375327 BXEYBNCVQRDBDW-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCCC1 224430217 IQKVUKJNCXVNFW-RPBOFIJWSA-N 448.611 6.321 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2)cc1 224953767 UTOPBTRNOCQDKQ-UHFFFAOYSA-N 449.576 5.038 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225007861 ROATZHALIGLKBH-OALUTQOASA-N 447.044 5.544 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccnc3ccccc23)CC1)C1(c2cccc(F)c2)CCOCC1 257268552 MMFAPPYYJRYIGR-OAQYLSRUSA-N 446.566 5.294 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3cc(C)c(Br)cc3C)CC2=O)cc1Cl 408641675 KYQOTGNQHVGDEJ-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2cccc(Cl)c2)c1C 408696837 CKZFZJBGQHFIFV-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3c(C)cccc3C)nn2-c2ccc(C)c(Cl)c2)c1 408699821 ZNUDOCDJEZPSOB-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc(C)cc(CSCC(=O)NCCSCc2c(Cl)cccc2Cl)c1 409027119 ACKSXSATMKKFTO-UHFFFAOYSA-N 428.450 5.893 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccccc3F)c(OC)c2)C1=O 409069209 LYOYZPNMGAYWBI-UNOMPAQXSA-N 449.931 5.903 0 40 IKAB CC(C)Cn1c([C@@H]2CCCN2C(=O)C[C@@H](c2ccsc2)n2cccc2)nc2ccccc21 524735617 NTTLGTSHRSMWBN-ZEQRLZLVSA-N 446.620 5.899 0 40 IKAB Cc1nc(CC(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)cs1 643576097 OYRZRMWOMCUALX-UHFFFAOYSA-N 437.565 5.163 0 40 IKAB CN1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3cc(F)ccc3[nH]1)[C@H]2Cc1ccccc1 2037845590 DOUQPPKLUFSIKC-WOKGGPCBSA-N 431.555 5.006 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)N1c2ccccc2C[C@@H]1C 901305 LKOROUZPJCWFPJ-GJZGRUSLSA-N 443.494 5.621 0 40 IKAB COc1ccccc1NC(=O)[C@@H](Cc1ccc(OC)c(OC)c1)c1nc2ccccc2s1 907871 SEWQCGWQERGAGZ-QGZVFWFLSA-N 448.544 5.287 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)N1c2ccccc2CCc2ccccc21 928237 JUDYKTNSHGVYMH-UHFFFAOYSA-N 431.492 5.431 0 40 IKAB O=C(OCc1ccccc1)c1ccc2c(c1)C(=O)N(c1cccc(Cl)c1Cl)C2=O 990549 YEYPVNNNSCKDIE-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB O=C(NCc1ccco1)Nc1ccc(-c2ccc(NC(=O)NCc3ccco3)cc2)cc1 1020872 RSALCXDTGKDEAU-UHFFFAOYSA-N 430.464 5.183 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2cccc(Cl)c2)c1 1223930 HUTKRKSCZGQUPG-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(CSc3ccccc3)cc2)c(Cl)c1 1401513 SIQIUDIMGIVGPU-UHFFFAOYSA-N 431.966 5.288 0 40 IKAB Cc1cccc(NC(=O)c2ccc(-c3ccc(C(=O)Nc4cccc(C)c4C)cc3)cc2)c1C 2069591 UPSWZMOQIPKGRO-UHFFFAOYSA-N 448.566 7.092 0 40 IKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)sc2c1CCCCCC2 2083733 CIQYWLBKGQGPOJ-AWEZNQCLSA-N 435.973 5.562 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)sc2c1CCCC2 2187665 HVHGATAKMSQBQG-UHFFFAOYSA-N 433.529 5.287 0 40 IKAB Cc1ccc(N2C(=O)[C@H](Oc3ccc(Cl)cc3C)[C@@H]2c2ccccc2Cl)cc1C 2192788 AKBHEZHCQDZOJK-XZOQPEGZSA-N 426.343 6.454 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nccs1)C3=O 2408998 SAUUPMQKNCPXCA-HXUWFJFHSA-N 430.529 5.605 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 2441115 PAUJAEXIDZPBTN-UHFFFAOYSA-N 429.549 5.184 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2ccc(Cl)cc2)c(C)c1 2446857 SCUCGVQRKKSELB-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](c1ccccc1)N1CCCc2ccccc21 2658500 CYLJMTIHOGVOLE-JOCHJYFZSA-N 444.884 6.491 0 40 IKAB CCCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 2659277 SHVBLVYYXZRWRS-QGZVFWFLSA-N 440.461 6.753 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(Cc3ccccc3)cc2)nc1-c1ccccc1 3209620 XDJKTNYPQZHKIR-UHFFFAOYSA-N 442.540 5.830 0 40 IKAB O=C(COC(=O)c1ncc(Cl)c(Cl)c1Cl)Nc1cc(Cl)cc(Cl)c1 3220511 FZZHCQATZLBRLH-UHFFFAOYSA-N 428.486 5.144 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 3230838 HZJIAYUZSRGJOU-GOSISDBHSA-N 443.576 5.574 0 40 IKAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)cc1 3418645 PKJGRCNFYZMMOD-RUZDIDTESA-N 430.548 5.357 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](CC)C(=O)OC)ncnc32)cc1 3658787 APDKFHHHPHAMND-NRFANRHFSA-N 447.560 5.530 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1)Oc1ccccc1 3663225 XKQHKPHKORTDTL-NRFANRHFSA-N 443.528 5.149 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426981 NFGRVVXYMOCXDC-XMMPIXPASA-N 446.963 5.850 0 40 IKAB COc1ccc2nc(Sc3c(-c4ccccc4)c4cc(Cl)ccc4[nH]c3=O)[nH]c2c1 8695025 QSOHSTJPIHRANR-UHFFFAOYSA-N 433.920 5.885 0 40 IKAB Cn1ccnc1[C@H](NC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1)c1ccc(F)cc1 8746520 NXROUZBADIHNLT-HXUWFJFHSA-N 443.400 5.357 0 40 IKAB COc1ccc(N[C@H](c2ccc(Br)cc2)[P@]2(=O)OCC[C@@H](C)O2)cc1 8763955 OWKYCHXIPTVBLP-FSICJAGISA-N 426.247 5.587 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)/C=C/c2ccccc2)cc1 8773122 UHKQCLUYDWSYTJ-GCTXXEFPSA-N 440.499 5.012 0 40 IKAB O=S(=O)(c1ccc(C2CCCCC2)cc1)N1CCN(C23CC4CC(CC(C4)C2)C3)CC1 8869223 ZNPIPSPIPBLLRE-UHFFFAOYSA-N 442.669 5.009 0 40 IKAB O=C(Nc1nc2ccc(F)cc2s1)c1nc(SCc2ccc(F)cc2)ncc1Cl 8915618 VZHCGPNLTKLUBQ-UHFFFAOYSA-N 448.907 5.563 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(Br)s2)N1c1ccc2c(c1)OCO2 9157394 GXZVTGJMFCLTNS-SFHVURJKSA-N 429.295 5.010 0 40 IKAB O=C(Nc1nnc(-c2ccc(Br)cc2)o1)c1cccc(Oc2ccccc2)c1 9275181 XDWISCLMWMWPAB-UHFFFAOYSA-N 436.265 5.544 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)N[C@H](C)c4cccc(Cl)c4)c(=O)c23)s1 9466107 MUXKMALRWRXFOE-CYBMUJFWSA-N 443.981 5.026 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 9669577 WAAKCHNQRXOLGK-YADHBBJMSA-N 431.561 5.314 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(NC(=O)c2cccs2)c1 9868278 PDRZYBAALMCFMM-UHFFFAOYSA-N 449.513 5.105 0 40 IKAB Cc1cc(Nc2cccc(Cl)c2)n2nc(C(F)(F)F)c(-c3ccc(Cl)cc3)c2n1 10493607 QZZJAJJCGNHPFQ-UHFFFAOYSA-N 437.252 6.774 0 40 IKAB COc1cc2c(cc1OC)[C@H](COc1cc(C)cc(C)c1)N(C(=O)c1ccccc1C)CC2 11726248 LFFIMUNTVYQGJW-VWLOTQADSA-N 445.559 5.448 0 40 IKAB Cc1c(CCC(=O)NCc2ccccc2)c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12 11867597 JYLPYOMFYQJCPF-UHFFFAOYSA-N 431.532 5.703 0 40 IKAB O=C(Nc1ccc(Nc2cc(-c3ccccc3)ncn2)cc1)c1ccccc1Br 12230388 RTXAWWBMJCPORW-UHFFFAOYSA-N 445.320 5.902 0 40 IKAB O=C1S/C(=C\c2ccc(O)c(Br)c2)C(=O)N1Cc1ccc(F)cc1Cl 12351760 BUUYDFWRTGCDNM-UUASQNMZSA-N 442.693 5.184 0 40 IKAB S=c1sc2c(N3CCCCCC3)nc(-c3cccs3)nc2n1Cc1ccccc1 12376614 WAKBBCWLYOPTFH-UHFFFAOYSA-N 438.647 6.379 0 40 IKAB COc1ccc(NC(=O)[C@@H](Nc2ccc(N3CCCC3)cc2)c2ccccc2)cc1Cl 12589945 WMUONEKCDVLBTP-DEOSSOPVSA-N 435.955 5.741 0 40 IKAB O=C(N[C@H]1CCSc2c(F)cccc21)c1ccc(OCc2cn3ccccc3n2)cc1 12622587 CEAUYOPZLVDGDB-NRFANRHFSA-N 433.508 5.019 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccccc3Cl)C(=O)c3ccc(F)cc3)cc12 12644521 NKFCHELVXSYALO-UHFFFAOYSA-N 448.925 5.780 0 40 IKAB O=C(O)CCn1cc([C@@H]2CC(c3ccccc3)=NN2c2ccccc2)c(-c2ccccc2)n1 12661194 KYLOMUHBOLWKEF-VWLOTQADSA-N 436.515 5.381 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)Cn1c(-c2cscn2)nc2ccccc21 12728604 ZLXMKIGNHZRQNT-UHFFFAOYSA-N 431.348 5.125 0 40 IKAB Cc1cnc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)cn1 12774082 PIIKDAJXFLWQSQ-AWEZNQCLSA-N 449.363 5.041 0 40 IKAB Cc1c(NC(=O)c2cnc(Cl)c(Cl)c2)cccc1C(=O)N1CCc2sccc2C1 12918023 LQBDWCJTSLNUEL-UHFFFAOYSA-N 446.359 5.209 0 40 IKAB CCn1c(S[C@H](C)C(=O)Nc2cc(Cl)cc(Cl)c2)nnc1-c1cccs1 13141099 KIYHEQVZYTXQHN-SNVBAGLBSA-N 427.382 5.453 0 40 IKAB CCCCCCn1c(-c2cccc(S(=O)(=O)N(C)C)c2)cs/c1=N\c1ccccc1 13759182 WPHZLCMUENEMIP-VHXPQNKSSA-N 443.638 5.280 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nnc1[C@H](C)Oc1ccccc1Cl 13870833 VNGRTCODBJGKRW-INIZCTEOSA-N 444.988 5.439 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 14245734 YVBUCBDCDGNBPQ-UHFFFAOYSA-N 431.319 5.581 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCCC2)o1 15860414 JZBXXPISENLAHG-SFHVURJKSA-N 445.357 5.362 0 40 IKAB OC1=N[C@H](c2cccc(Cl)c2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 15947388 BEMVIGTVOXRBLJ-FQEVSTJZSA-N 444.387 6.042 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(NC(=O)Cc3ccccc3)cc2)cc1Cl 16194505 CXNIQNVUGPGQRA-UHFFFAOYSA-N 429.303 5.436 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc2nn(-c3ccccc3)nc2cc1C 16284393 YSZQQVAZVQXANW-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB Cc1ccc(-n2cc(-c3ccccc3)c3c(N(C)Cc4ccccc4)ncnc32)cc1Cl 16768305 IQBXFEMGRCQOSM-UHFFFAOYSA-N 438.962 6.686 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1c(F)c(F)c(F)c(F)c1F 17102764 LSAFGYRZALNOCO-UHFFFAOYSA-N 438.743 5.022 0 40 IKAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(Cl)cccc1Cl 20107064 FHUOIFQROKHWSD-IBGZPJMESA-N 426.409 5.817 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 20111618 XKCNDZSWHQQSKG-QFIPXVFZSA-N 438.980 5.779 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1occc1CS(=O)(=O)c1ccccc1 22020149 ZDPJFJTVOHEDMA-UHFFFAOYSA-N 443.830 5.178 0 40 IKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ccc(-c2cn3ccsc3n2)cc1 24928599 UERDLGNUYKVGLA-UHFFFAOYSA-N 442.500 5.268 0 40 IKAB COC(=O)[C@@H]1Cc2ccccc2CN1Cn1c(=S)n(-c2cccc(C)c2)c2ccccc21 25426988 IQGMYNLSGUKWTK-DEOSSOPVSA-N 443.572 5.027 0 40 IKAB C[C@@H](Sc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 32876433 ZWOOXTISLBSIRJ-MRXNPFEDSA-N 428.517 5.281 0 40 IKAB CCOc1ccc(-c2csc(-c3cc(NC(=O)c4cc5ccccc5o4)n(C)n3)n2)cc1 35683048 SBUZIVQLBGUJSK-UHFFFAOYSA-N 444.516 5.608 0 40 IKAB O=C(/C=C/c1ccc(OCc2ccccn2)cc1)NCc1csc(-c2ccccc2)n1 36397477 MBHKAZFQMKGABW-SDNWHVSQSA-N 427.529 5.114 0 40 IKAB Cc1ccc(-c2nc(CSc3nccn4nc(-c5cc(C)ccc5C)cc34)c(C)o2)cc1 38486625 UNDUSJAZXVVHMI-UHFFFAOYSA-N 440.572 6.577 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C\c3cccs3)CCC[C@@H]2[C@H]1c1cccs1 39404512 JFKHTAOEQKQUED-KTBQNSCASA-N 439.005 6.900 0 40 IKAB Cc1ccc(CN2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)cc1 39750029 SSBKBLQOLZXKNP-UHFFFAOYSA-N 446.566 5.242 0 40 IKAB O=C(c1cccc(F)c1)N1CCCc2cc(-c3csc(NC4CCCCC4)n3)ccc21 57740609 LRAWFTBIXYPFTC-UHFFFAOYSA-N 435.568 6.287 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 72353971 XEUHZRODVPCQNU-FQEVSTJZSA-N 440.012 5.727 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2cccc(NC(C)=O)c2)C12CCCCC2 79479423 SIUUGSKADPXMTD-DEOSSOPVSA-N 447.579 5.326 0 40 IKAB COc1cccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3C(C)C)c1OCc1ccc(F)cc1 85411821 STOIZOANMHTBKQ-OAQYLSRUSA-N 441.528 5.370 0 40 IKAB C[C@@H]1[C@@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 85764169 OFLPXEYYLDOAPP-QEAFYANCSA-N 444.744 7.220 0 40 IKAB COc1cccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2cccc(Br)c2)c1 89467220 HESHLERGDLIIJS-LJQANCHMSA-N 425.282 5.042 0 40 IKAB Cc1cccc(-c2ccc(C(=O)N[C@@H](Cc3ccc(Cl)cc3)c3ccccn3)c(=O)[nH]2)c1 95453603 ORSMIXRLVCSSFA-DEOSSOPVSA-N 443.934 5.113 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 102799579 XYAHVIMQWBBBKK-XFHNUULXSA-N 448.420 5.257 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)c1ccc(OCc2ccccc2Cl)cc1)c1ccccc1 216248915 NMXZESLRNBLQEJ-MHZLTWQESA-N 441.958 6.747 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccc(C)cc1 216249931 APPHQDNTRURYPC-DHLKQENFSA-N 434.561 5.243 0 40 IKAB CCCOc1ccccc1CCCNC(=O)COc1ccc(C(C)C)cc1Br 218876854 KXYLLMQHRCSLMZ-UHFFFAOYSA-N 448.401 5.489 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)c(Cl)c3)o2)S1 222632024 XVZRKALMNTYTBO-KNMUDHKVSA-N 430.360 6.238 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222785234 RHWILUAUPANSCW-QGZVFWFLSA-N 433.017 5.073 0 40 IKAB CC[C@H](Oc1ccc(C)cc1C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 222954455 NYWCWWOBWVHSFB-DEOSSOPVSA-N 430.548 5.072 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(CC)cc1 223782846 QEZXAAJWDVYSMQ-HSZRJFAPSA-N 445.003 5.005 0 40 IKAB C[C@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)C1 223978643 UJFZUZFOUNNDQP-SFHVURJKSA-N 443.060 5.770 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 224047061 UNXBMVNCTQMQJS-INIZCTEOSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224114048 ZQIBKTRTSNDFGP-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)c1 224176687 XHFOYHHAAKHQSY-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cccc2ccccc12 224307467 PRTCJCSNCOTVAS-UHFFFAOYSA-N 440.499 5.638 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccccc1Cl 224477910 XTYCIEKLXHZQRF-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccc[nH]3)cc2)cc1 224693523 GGSQFAZZJXQCOE-RPWUZVMVSA-N 426.545 5.688 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1cccc(C)c1 225222716 ORNALSZNNLOUGU-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB COc1ccc(NC(=S)NCCSCc2ccc(Cl)cc2Cl)cc1Cl 225341074 ZWCXDWLHDWLPSV-UHFFFAOYSA-N 435.829 5.875 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225495674 MTRVWCUUZASONO-QPPBQGQZSA-N 440.653 5.508 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCCCCC2)cc1 225742335 GWHHKHBXVOCLDE-UHFFFAOYSA-N 446.676 6.138 0 40 IKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(OC3CCCC3)cc2)cc1OCC 225751829 UWZJLXZHJMXSGX-QGZVFWFLSA-N 428.598 5.853 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccc(F)cc3)c3ccc(F)cc3)[C@H]2C(=O)N1c1ccccc1 230106603 CJAFSGJMWMUDMF-CNXCYTMISA-N 439.461 5.388 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@H](Cc5ccccn5)[C@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 242688063 VEFILIWPFIZDGV-SXCXKZDQSA-N 439.684 6.175 0 40 IKAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 260723368 XYJHGAWMQCTKCD-IBGZPJMESA-N 437.657 5.210 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408547294 IEOKBMJPJNJODJ-QFIPXVFZSA-N 426.925 5.268 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 408563577 OIVQUUNMACWVLR-UGKGYDQZSA-N 438.490 5.143 0 40 IKAB COc1cc(/C=C2\S[C](Nc3cc(Cl)ccc3C)NC2=O)ccc1OCC(C)C 408810677 UKAMGLNTISNNBW-UHFFFAOYSA-N 431.965 5.455 0 40 IKAB CCCc1sc(NC(=O)c2ccccc2Br)nc1-c1ccc(OC)cc1 408827110 UPXHJGONAZTWNJ-UHFFFAOYSA-N 431.355 5.786 0 40 IKAB COc1ccc(NC(=O)Nc2ccc3nc(-c4ccccn4)c(-c4ccccn4)nc3c2)cc1 408975640 BROSPLAREIRPLT-UHFFFAOYSA-N 448.486 5.406 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2CC(C)C)cc1 409101907 XCICZUQRBMWZCK-UHFFFAOYSA-N 428.989 5.548 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1CC 409350749 YWYUHTJXITZQNQ-UHFFFAOYSA-N 440.956 5.658 0 40 IKAB CN1CCCCN(C(=O)c2ccc(Cl)cc2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643550932 KNMCXKDVXUDTAM-GGAORHGYSA-N 440.971 5.038 0 40 IKAB CN([C@@H](c1ccccc1)c1ccccc1P(C(C)(C)C)C(C)(C)C)[S@](=O)C(C)(C)C 1857795075 KJFQHFCHUMQGIB-YUDQIZAISA-N 445.653 6.874 0 40 IKAB CC(C)(C)c1ccc2c(=O)c(C(=O)N3CCCCC3)cn(Cc3cc(F)cc(F)c3)c2c1 1889149427 ZHRUZNMNSAMXBL-UHFFFAOYSA-N 438.518 5.252 0 40 IKAB CC1=CC(C)=[N+]2C1=C(c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1c(C)cc(C)n1[B-]2(F)F 2362801932 ZFZBGWXMGWVGSD-UHFFFAOYSA-N 436.399 7.129 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 820437 IHJIYDUNPXRWBC-UHFFFAOYSA-N 438.918 6.277 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)cc1 874472 PGAUBJHBEJSONZ-UHFFFAOYSA-N 435.593 5.295 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O 894979 KWFYWKPOROGBEF-UHFFFAOYSA-N 447.560 5.091 0 40 IKAB Cc1ccc(NC(=O)c2cnn(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1 1081016 WLMBMQKYNAKKBI-UHFFFAOYSA-N 430.895 5.339 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3Cl)cc2c1 1327347 JKMYKWHGEZHUIG-UHFFFAOYSA-N 447.922 5.424 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 1353143 PQOCPZZAGDBFJX-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(I)cc1 1769204 BGMQZRIMDCQSBD-UHFFFAOYSA-N 432.261 5.068 0 40 IKAB O=c1c(Oc2ccc3ccccc3c2)coc2cc(OCc3ccccc3Cl)ccc12 1772374 QUGSZBIHTGRNBL-UHFFFAOYSA-N 428.871 6.971 0 40 IKAB CC(C)(C)c1ccccc1OCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1835444 CQXQAXVXOIVPCL-UHFFFAOYSA-N 446.978 6.484 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5c(Cl)cccc45)nc3c2)cc1 1857092 CXBPTCKLOJZLKG-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB Cc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(-c3ccccc3)cc2)cc1Cl 2068214 UTUPQHXDVDJNQY-UHFFFAOYSA-N 435.907 5.460 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1c(F)cccc1Cl)Nc1ccccc1-2 2084574 MXHUBCICLIPUFG-LJQANCHMSA-N 430.936 6.117 0 40 IKAB CCCn1c(SCc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2 2224120 JNEZLCMGFFNGIR-UHFFFAOYSA-N 444.644 6.679 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)n1-c1ccccc1)Nc1ccc(F)cc1F 2229879 GXNWWQTVKTXLRX-UHFFFAOYSA-N 440.450 5.082 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccc(F)cc1 2256808 KRSKMWXPJDSVOD-RTWAWAEBSA-N 448.548 5.761 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2ccc(Cl)cc2)n1CC 2450512 OILUIMLJMVZBAG-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB O=C(Cc1ccccc1)Nc1sc2c(c1C(=O)Nc1cccc3ccccc13)CCC2 2742243 NNRYRNPYRDCASE-UHFFFAOYSA-N 426.541 5.824 0 40 IKAB O=C(NCCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 2753472 NDYXZPCWHKCELG-UHFFFAOYSA-N 434.539 5.571 0 40 IKAB Cc1ccc2nc(-c3ccc(Br)c(NC(=O)c4ccccc4Cl)c3)oc2c1 3030233 XCUHBZKNYWSNEJ-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(Cl)cc1Cl 3225758 LHMSPMVGVVXOEE-UHFFFAOYSA-N 428.315 5.697 0 40 IKAB O=C(Cc1ccc(Br)cc1)O[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3316108 SKMCYNACRCSDTM-DEOSSOPVSA-N 448.316 5.640 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2[C@@H](C)N2CCCCC2)cc1 3318540 WRIMJNDLTKBZJR-QGZVFWFLSA-N 443.016 5.769 0 40 IKAB O=C(COc1ncnc2sccc12)Nc1ccccc1Sc1ccc(Cl)cc1 3334675 NPSHDWICFUKLAI-UHFFFAOYSA-N 427.938 5.513 0 40 IKAB O=C(CSc1nnc(-c2ccccc2F)o1)NCCC(c1ccccc1)c1ccccc1 3379179 SXGSGJMJMSYXNL-UHFFFAOYSA-N 447.535 5.306 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C(C)C)cc2)cc1 6142858 FQLHMLZFZWMRKO-UHFFFAOYSA-N 432.549 5.606 0 40 IKAB Cc1nc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)c2c3c(sc2n1)CCCC3 8431737 AXBLALLTEONSLY-UHFFFAOYSA-N 432.515 5.224 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3Br)o2)cc1 8708599 YCHYMRAZMZKAAQ-LBPRGKRZSA-N 433.327 5.261 0 40 IKAB Cc1sc2nc(S[C@H](C)c3nnc(-c4ccccc4)o3)n(C(C)C)c(=O)c2c1C 8772662 ZOGPATHCHOZNIP-CQSZACIVSA-N 426.567 5.559 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)c1 8828298 YWTPVMRKSUAUIY-FQEVSTJZSA-N 443.522 5.392 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)NCc2ccc(-c3nc4ccccc4o3)cc2)c1 8830998 DQDLSJOAWGLJBL-UHFFFAOYSA-N 445.544 5.087 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 8831928 WNOANMHRNCWHJW-UHFFFAOYSA-N 448.950 6.906 0 40 IKAB Cc1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 8896657 WOFYMDAMNRZXBS-SFHVURJKSA-N 428.561 5.212 0 40 IKAB CC(C)C(=O)N1CCN(c2c(Cl)cccc2NC(=O)c2ccc(C(C)C)cc2)CC1 8904340 IKCNHBLEAMGARF-UHFFFAOYSA-N 427.976 5.020 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCC(=O)N(c1ccccc1)C1CCCCC1 8965668 HCWGNCBOYIBMCT-UHFFFAOYSA-N 434.609 5.347 0 40 IKAB CC(=O)Nc1ccc(Nc2cc(C(C)(C)C)nc3c(-c4ccccc4Cl)cnn23)cc1 8994626 UKXCKRYQNBZSHJ-UHFFFAOYSA-N 433.943 6.049 0 40 IKAB COc1ccc(-c2csc(N3N=C(C)C[C@H]3c3ccc(OC)c(OC)c3)n2)cc1OC 9052697 YPMOWABWTAXRJY-SFHVURJKSA-N 439.537 5.172 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1cc(Br)ccc1OCc1ccc(Cl)cc1 9296325 UUHBBYQNRBAQNX-XDHOZWIPSA-N 440.724 6.174 0 40 IKAB FC(F)(F)c1cc(-c2ccc(Cl)cc2)nc(Nc2ccc(Br)cc2)n1 9310060 CFCMDXKFIZMRSU-UHFFFAOYSA-N 428.639 6.322 0 40 IKAB Cc1ccc(CSc2cn(CCNC(=O)c3ccc(C)c(C)c3)c3ccccc23)cc1 9391935 IVBRGYANCIOSPK-UHFFFAOYSA-N 428.601 6.289 0 40 IKAB O=C(Cn1cc(SCc2cccc3ccccc23)c2ccccc21)N1CCCCCC1 9519540 LOFAXGQILWLGJK-UHFFFAOYSA-N 428.601 6.489 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc(C(C)C)cc3)cc2)S(C)(=O)=O)c1 10433963 NJPQFBSWTFRLSB-UHFFFAOYSA-N 436.577 5.337 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)o1)Nc1cc(C(F)(F)F)ccc1Cl 12177811 MOBQEEMRTZXMAA-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1Oc1ccccc1 12555820 IUDYGRRDKUPCDE-UHFFFAOYSA-N 447.585 6.093 0 40 IKAB Cc1nc(SCC(=O)N(C)Cc2ccccc2Br)n(C2CCCC2)c1C 12556701 RHQOYWJMKZZKHU-UHFFFAOYSA-N 436.419 5.128 0 40 IKAB O=S(=O)(Nc1nc2ccccc2n1Cc1ccccc1)c1cccc(Cl)c1Cl 13057402 IISBUIZDGSFOCT-UHFFFAOYSA-N 432.332 5.192 0 40 IKAB CCOC(=O)Cc1csc(S[C@H](C(=O)c2ccc(C)cc2)c2ccc(C)cc2)n1 13097476 DRRSDEYGGIDOST-QFIPXVFZSA-N 425.575 5.582 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(-c2ccc(OC)c(OC)c2)nc2ccccc12 13129382 NVHWFLBREKHDJJ-UHFFFAOYSA-N 426.516 6.042 0 40 IKAB CCCCN(CCCC)c1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13597979 CNELNKXKWZRKCF-UHFFFAOYSA-N 430.621 6.802 0 40 IKAB COc1ccc(OCc2nnc(SCc3csc(-c4cccc(C)c4)n3)n2C)cc1 13845109 YFLFDMPWWQRVBR-UHFFFAOYSA-N 438.578 5.127 0 40 IKAB O=C(Oc1cc(-c2cccc(C(F)(F)F)c2)c2oc(=O)sc2c1)c1ccc(F)cc1 15906659 RXMVJDSCVSEOLG-UHFFFAOYSA-N 434.366 5.899 0 40 IKAB CC(=O)C[C@H](SCCSCCS[C@H](CC(C)=O)c1ccccc1)c1ccccc1 16890793 AOKADWHXGUNZMD-PSWAGMNNSA-N 446.703 6.627 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 17096350 KWVXNEKJYAAUTB-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)/C=C/c4ccccc4)ccc3O)oc2c1 17096518 JMIKBKKVBNSKDI-XYOKQWHBSA-N 429.501 5.035 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(C(=O)NCC(C)C)c3ccccc3n2)C1 19761754 NZTQROPGBPFJIT-OAQYLSRUSA-N 447.627 5.004 0 40 IKAB S=C(SCSc1nc2ccccc2s1)N1CCN(Cc2ccccc2)CC1 19831908 OPAJAHVXWLMTAR-UHFFFAOYSA-N 431.677 5.182 0 40 IKAB N=c1n(CC(=O)c2ccc(Cl)c(Cl)c2)c2ccccc2n1Cc1ccc(Cl)cc1 20010381 UZCGMOAUXCGISB-UHFFFAOYSA-N 444.749 5.814 0 40 IKAB On1c(-c2ccccc2)c([C@H](Nc2ccccn2)c2cccc(Cl)c2)c2ccccc21 20192853 AWCHUXOBSHQALF-RUZDIDTESA-N 425.919 6.796 0 40 IKAB FC(F)(F)c1cnc(N2CCC(c3n[nH]c(=S)n3-c3ccccc3)CC2)c(Cl)c1 20365817 WOJPHUNUANBFIQ-UHFFFAOYSA-N 439.894 5.381 0 40 IKAB OC1=Nc2ccccc2CC[C@@H]1Sc1nnc(-c2ccc(O)cc2)n1C1CCCCC1 20738590 YGJRAXDHGDKLRG-NRFANRHFSA-N 434.565 5.851 0 40 IKAB CCOc1cc(CNC(C)(C)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22074140 KBKDVDWTBRACMQ-UHFFFAOYSA-N 432.775 5.485 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(-c4ccc(C)cc4)csc3c(=O)n2C)c1 23126907 DLPDUAMYOBCCIG-UHFFFAOYSA-N 449.601 5.264 0 40 IKAB Cc1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCN(C(C)C)C3)cc1 23153842 IRPWKBDMARFQMR-UHFFFAOYSA-N 447.629 6.352 0 40 IKAB CCc1sc(-c2nnc(CSc3nnc(NCCc4ccccc4)s3)o2)cc1C 23907871 NRUUKBVREYWWPG-UHFFFAOYSA-N 443.623 5.467 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2cccc(C(=O)OCc3c(F)cccc3Cl)c2)cc1 24522593 QCNQPHXGSJQTOD-UHFFFAOYSA-N 432.900 5.118 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H](c2nc3ccccc3o2)C1 24683190 PZNUGFUIHBTDHC-GFCCVEGCSA-N 444.862 5.068 0 40 IKAB O=C1CCCCC[C@@H]1Sc1nnc(-c2ccc(Br)o2)n1Cc1ccccc1 24755848 FQIURAOFPYYWKO-KRWDZBQOSA-N 446.370 5.343 0 40 IKAB CCOc1cc2c(cc1NC(=O)c1cc(-c3ccncc3)nc3ccccc13)O[C@@H](C)C2 26885833 QXLITHSKEXZUHF-INIZCTEOSA-N 425.488 5.271 0 40 IKAB CCCCOc1ccccc1-c1nnc2n1N=C(c1ccc(Br)cc1)CS2 27645359 NXICFHCVRAHXTQ-UHFFFAOYSA-N 443.370 5.245 0 40 IKAB CSc1ccc(Oc2ccc(Br)cc2CN(C)C(=O)OC(C)(C)C)cc1 33414769 GHELSEYTDMWQSL-UHFFFAOYSA-N 438.387 6.330 0 40 IKAB O=C(/C=C/c1cn(Cc2ccccc2)nc1-c1cccs1)Nc1nnc(C2CC2)s1 40159714 JTCDJKIFAPUJPQ-ZHACJKMWSA-N 433.562 5.041 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1cc(-c2ccc(Cl)cc2)nn1-c1ccccn1 41156029 HBQHRTVCLCGJDE-UHFFFAOYSA-N 439.302 5.259 0 40 IKAB Cc1cc(Sc2ncccn2)ccc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 58190834 JQNPKPUPSUYRQG-UHFFFAOYSA-N 430.489 5.034 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3)o2)c1 59179519 LTHDGSLHZOJLPB-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB CCN(C(=O)CSc1nccn2nc(-c3ccc(C)c(C)c3)cc12)c1cccc(C)c1 67289718 PJEIAOGHCDOIML-UHFFFAOYSA-N 430.577 5.467 0 40 IKAB 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](OC)CC(=O)O3)[C@@H]21 67665422 OLSYISKGDWQZSZ-GLFZMXHESA-N 432.601 5.240 0 40 IKAB in-vitro O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@@H](CSc2ccccc2)C1 72303135 AFCSQFBZHYVEPM-GOSISDBHSA-N 445.675 5.575 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@H]2CCN(C(=O)c3ccccn3)C2)n1 72374748 FLNQLRNDYRCUHL-IBGZPJMESA-N 425.454 5.024 0 40 IKAB CC[C@@H](NC(=O)CCc1ccccc1Cl)c1noc(-c2cccc(Br)c2)n1 84734896 DDSDBFLEVCZPLD-QGZVFWFLSA-N 448.748 5.353 0 40 IKAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2cccc(-c3ncco3)c2)[C@@H]1c1ccccc1OC 95436498 KISBGDCWVGIFRI-QPPBQGQZSA-N 447.535 5.069 0 40 IKAB CCCCc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(OC)c(F)c3)no2)cc1 98211437 CYNWOOBVTCSPJW-UHFFFAOYSA-N 448.498 5.334 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 223703593 MMLJYLBWWKSPJP-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 223841762 KYXMGUMFOQPHQP-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223851595 QTMRFGXKYOVZSI-LJQANCHMSA-N 426.988 5.057 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224192523 OQOFRYAMODZPFD-XMMPIXPASA-N 441.015 5.447 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)c1 224247295 UWXFGHDFGKTLQA-RPWUZVMVSA-N 429.520 5.966 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224343686 PPQNMHMGXRCPHP-KRWDZBQOSA-N 425.981 6.440 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1 224876166 RNKRSQOWWFYLSR-GOTSBHOMSA-N 446.963 5.408 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1 225161177 NTMUYTXAAKGUPX-XMMPIXPASA-N 441.015 5.529 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225246746 BSTONTKLHNOBIY-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 225458837 JUTWPPYENHSKQY-LAUBAEHRSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225555635 HHKMBFOLFWYDCI-VGOFRKELSA-N 432.967 5.052 0 40 IKAB CC(=O)O[C@@H]1C(=O)CCc2c1ccc1c2CC[C@]2(C)[C@@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C 227368519 NBPHAHNFMOQFSI-LUSNDTINSA-N 438.652 6.961 0 40 IKAB C[C@@]12C(=O)N(c3cccc(Cl)c3)C(=O)[C@@H]1[C@@H](c1ccccc1)C=C[C@@H]2c1ccccc1 229920033 DHPABJAAWYDUQJ-INADMSBESA-N 427.931 5.973 0 40 IKAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 231425709 WGFJHBZAJBVLTD-UHFFFAOYSA-N 440.348 5.615 0 40 IKAB CC1(C)Cc2cc(CN3CCC[C@H](c4ccc(Cc5cccc(F)c5)cn4)C3)ccc2O1 257318819 VPNBAEKUHTZFPY-QHCPKHFHSA-N 430.567 5.905 0 40 IKAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1)c1ccc(Cl)cc1 260833573 ZEVNGPVGDXOFLX-PBHICJAKSA-N 425.787 5.736 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)c3ccccc3)n2)cc1OC 408547507 YOXIXRQGOIGWQH-UHFFFAOYSA-N 434.439 5.155 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Br)c(Cl)c3)cc2)cc1 408558748 VJZWHGHLFWFNDI-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Cl)c(Cl)c2)cc1 408679397 WLOFDZXSUCMXCV-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(C)c2)cc1 408697023 DRDKJUAWVWUOSW-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3Cl)nc2-c2ccc(F)cc2)cc1Cl 408697773 JHGRITYYDUAVAM-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(F)c3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408697885 MGMPDBMFCCGSCF-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1cc(CNc2cc(C)ccc2C)cc(Br)c1OCc1ccccc1 409132737 LOZKXHDCFRVANW-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 409211797 KDNMRVCOTHXVQF-CIAFOILYSA-N 439.895 6.299 0 40 IKAB COCCN1C(=O)S/C(=C\c2cn(Cc3ccc(F)cc3Cl)c3ccccc23)C1=O 409212894 RPBRDBBJWSKQGA-JMIUGGIZSA-N 444.915 5.165 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OCc1ccccc1 409235914 DANNTDSNECRVBE-KGENOOAVSA-N 448.906 5.415 0 40 IKAB CN1CCCCCOc2ccc(C(=O)NCCc3ccccc3)cc2Cc2cccc(c2)C1 643579591 BIPOHWKIEGCKRK-UHFFFAOYSA-N 442.603 5.244 0 40 IKAB CCc1ccc2c(c1)cc(CN(C(=S)Nc1ccc(F)cc1)C1CCCC1)c1nnnn12 1346595 DEBZFFLZLJBDIY-UHFFFAOYSA-N 448.571 5.121 0 40 IKAB Cc1nn(C)c(Sc2cccc(C(F)(F)F)c2)c1C(=O)Nc1ccc(F)cc1F 1401154 WMHNQZQKGLMZQK-UHFFFAOYSA-N 427.398 5.429 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2Cl)c1 1512754 ZAEBYMFTICZDEB-UHFFFAOYSA-N 430.287 5.494 0 40 IKAB CCCCc1ccc(NC(=O)COc2ccc(Br)cc2Br)cc1 1909330 DQAGBSXDQNVUTC-UHFFFAOYSA-N 441.163 5.572 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccco3)sc2c1 2203852 BCGZQJMDWYKIGK-HXUWFJFHSA-N 428.469 5.362 0 40 IKAB Cc1cc2c(cc1C)N(C(=O)c1ccccc1Cl)C(C)(C)c1ssc(=S)c1-2 2230162 UYUILQZSWMNBQI-UHFFFAOYSA-N 432.035 7.372 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 2257988 SPDSPJFXXCHCNO-NHCUHLMSSA-N 430.558 5.621 0 40 IKAB Cc1ccc(COc2ccc(-c3nc(N)nc(C)c3-c3ccc(Cl)cc3)c(O)c2)cc1 2365752 AEHZCKCAZYZDRQ-UHFFFAOYSA-N 431.923 5.948 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1 2405418 LWABGKQWLFFCTG-SFHVURJKSA-N 438.892 5.051 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2cccc(Cl)c2)N1Cc1ccco1 2439373 MAYAORKXJRWIJU-IBGZPJMESA-N 426.255 5.438 0 40 IKAB COc1ccc(NC(=O)c2ccc(NC(=S)Nc3ccc(Cl)cc3Cl)cc2)cc1 2629386 WVZZOTYLKKTKIB-UHFFFAOYSA-N 446.359 6.063 0 40 IKAB O=C(c1ccccc1)c1cnc2ccc(F)cc2c1S(=O)(=O)c1ccc(Cl)cc1 2692657 SZXNWEHKSLRVIS-UHFFFAOYSA-N 425.868 5.091 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(OC)cc3)c2C(N)=O)C1 2747050 VRJGVWYXHNXJON-OIQJVACTSA-N 426.582 5.049 0 40 IKAB O=c1[nH]c(-c2ccncc2)nc2c1sc1nc(C(F)(F)F)cc(-c3cccs3)c12 2785783 IXOGVBLUFGJVGJ-UHFFFAOYSA-N 430.436 5.342 0 40 IKAB CC(C)[C@@H]1N=C2c3ccccc3N=C(SCC(=O)c3ccc(Cl)c(Cl)c3)N2C1=O 2965377 TYEXQZZQGAFPEM-SFHVURJKSA-N 446.359 5.224 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2SCC(=O)N2Cc2ccccc2)cc1 3111778 SRFPWULGPUPYKK-AREMUKBSSA-N 425.557 5.622 0 40 IKAB O=S(=O)(NC(c1ccccc1)c1ccccc1)c1cc(C(F)(F)F)ccc1Cl 3246652 KGGJXLXRTWIMNJ-UHFFFAOYSA-N 425.859 5.427 0 40 IKAB O=C(Nc1ccccc1F)C(=Cc1ccccc1OC(F)F)C(=O)Nc1ccccc1F 3303970 ISNOUEWQMWSZFG-UHFFFAOYSA-N 444.384 5.227 0 40 IKAB Cc1ccc(-c2nc(NC(=O)CCCNC(=O)c3ccc(Cl)cc3)sc2C)cc1 3354204 YSDZAAHMXDARAV-UHFFFAOYSA-N 427.957 5.229 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl)c1ccccc1 3383968 IRKJGESZGLIHHE-HNNXBMFYSA-N 427.331 5.666 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccc(-c2nc(-c3ccccc3Cl)cs2)cc1 3469541 DCGASMGZOQKPCB-UHFFFAOYSA-N 426.875 6.661 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3c(=O)n2-c2ccc(C)cc2)cc1Br 8446443 GKFMRMPCKSKSNT-GXDHUFHOSA-N 447.332 5.636 0 40 IKAB COc1cc2c(cc1NC(=S)NC(=O)c1ccc(Cl)cc1Cl)oc1ccccc12 8738626 ULUCKVNWDKKQAM-UHFFFAOYSA-N 445.327 6.028 0 40 IKAB CC(C)CCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21 8753146 JJFKXAQMVONCCV-MRXNPFEDSA-N 426.358 5.365 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2C/C=C\c2ccccc2)CN1c1cccc(Cl)c1 8871277 BWIJTPOWDFCUPC-ROFLEHJCSA-N 427.935 5.924 0 40 IKAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 9064851 OSQXIIQEYIACCY-VQHVLOKHSA-N 447.343 5.788 0 40 IKAB Clc1cccc(Cl)c1OCCSc1nnc(Cc2cccs2)n1C1CC1 9257071 IIAKVXGMSZGWMG-UHFFFAOYSA-N 426.394 5.743 0 40 IKAB Cc1csc(N(C(=O)CSc2nnc(C3CC3)n2-c2ccccc2)c2ccccc2)n1 9337481 HPTSHKXKEQBEGJ-UHFFFAOYSA-N 447.589 5.367 0 40 IKAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cccc(NC(=O)c2cccs2)c1 9494441 CAPWEGCMEZQQPM-UHFFFAOYSA-N 441.484 5.654 0 40 IKAB Cc1sc2nc(CSc3ccccc3)nc(NCCCN3CCCC3=O)c2c1C 9516063 SXBNNDGVQQFYQK-UHFFFAOYSA-N 426.611 5.025 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)/C=C/c2ccccc2)CC1 9575454 PLWOQXJHJWZQPC-LFIBNONCSA-N 440.543 5.156 0 40 IKAB Cc1ccc(-c2nc(C)sc2CC(=O)Nc2ccc(Br)cc2Cl)cc1 9632513 KSYSBKXJKSQUOZ-UHFFFAOYSA-N 435.774 6.024 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)c1ccc(Cl)c(Cl)c1 9662038 BYSGDJBDZMLJHF-UHFFFAOYSA-N 429.259 5.227 0 40 IKAB CCOc1ccccc1NCc1nn2cc(-c3ccc(OC)c(OC)c3)c3c2n1CCCC3 9715197 BZODIVKDAKIKMW-UHFFFAOYSA-N 446.551 5.167 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)cc1Cl 9980368 CGLWZCZYYSOOBC-UHFFFAOYSA-N 440.912 5.432 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)C1(c2ccccc2)CCCC1 10372825 RRNMCMYZKXVIHF-UHFFFAOYSA-N 428.557 6.422 0 40 IKAB CCOc1c(Br)cc(CNCc2ccccc2Cl)cc1Br 10474129 QVWGFTBSXNISDC-UHFFFAOYSA-N 433.571 5.554 0 40 IKAB CCn1c(SCC(=O)N2CCc3sccc3[C@H]2c2cccs2)nc2ccccc21 11421559 PHSLYIFFESKBCA-NRFANRHFSA-N 439.631 5.446 0 40 IKAB COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 12193977 RSQJJSXNXBRMGB-UPVQGACJSA-N 439.342 6.553 0 40 IKAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1 12599384 JYKFBMVOAOFWHI-IERDGZPVSA-N 438.572 5.557 0 40 IKAB COc1ccc(CCCC(=O)N[C@H]2CC(C)(C)Cc3nc(-c4ccncc4)ncc32)c(C)c1 12760296 VFFQOJCHJJQZLU-QHCPKHFHSA-N 444.579 5.008 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(SC(F)F)cc2)cc1OC 12821268 KJXIIWWBEBUFEH-UHFFFAOYSA-N 446.313 5.814 0 40 IKAB COc1ccccc1-c1csc(N2N=C(C)C[C@H]2c2cc(OC)c(OC)c(OC)c2)n1 13569124 PVXPFHWAVBJDKA-SFHVURJKSA-N 439.537 5.172 0 40 IKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2cccc(C(F)(F)F)c2)n1 13629159 RKJZIBPVYTWPOH-UHFFFAOYSA-N 437.874 6.002 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccc(C)cc2)c2ccccc21 13940837 HRYUMIHLYXRGMP-IBVKSMDESA-N 428.532 5.293 0 40 IKAB O=C(c1ccccc1SC[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3s2)C1 14083854 LQLMNKYLIPREDC-QZTJIDSGSA-N 438.618 5.587 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 14153626 COJSPMZTCJDARR-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB O=C(COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)NC1CCCCCCC1 15982298 AYKKIAADXGMJDH-UHFFFAOYSA-N 446.012 6.018 0 40 IKAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)c3cc4ccc(F)cc4[nH]3)CC[C@]21C 19713709 BQNNPNROIIVYGZ-SHQCIBLASA-N 447.554 5.191 0 40 IKAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 19962049 NJMCNTFAPZRQET-XMMPIXPASA-N 442.563 5.406 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 20495414 UYMXNFXGQHMFHI-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnc2scc(-c3ccccc3)n2c1=O 20767785 ZYOYNDVGINSOEP-UHFFFAOYSA-N 439.496 5.468 0 40 IKAB COc1ccc(-n2nc(Nc3cccc(C(F)(F)F)c3)c3c2CC(C)(C)CC3=O)cc1 20797045 BMTJORRXYQICEV-UHFFFAOYSA-N 429.442 5.798 0 40 IKAB CCC(=O)Nc1nc2ccc(NC(=O)c3ccc(OCc4ccccc4)cc3)cc2s1 21595301 VECBWFSREGVYLM-UHFFFAOYSA-N 431.517 5.476 0 40 IKAB CCn1cc(C(=O)Nc2cc(Cl)ccc2Cl)c(=O)c2cc(C(F)(F)F)ccc21 22236782 NENSUBMCVNRCSV-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc32)cc1 22511506 RSOJABJGPLIZAR-UHFFFAOYSA-N 427.548 5.032 0 40 IKAB Cc1sc2ncn(Cc3nc(-c4ccc(Cl)cc4)no3)c(=O)c2c1-c1ccccc1 22713555 OYEAOLBGVCNLBP-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2CN(C)C(=O)c2n[nH]c3ccccc23)cc1C 25105317 BMSYCCDQPQTQAK-UHFFFAOYSA-N 435.531 5.305 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25434594 AQTIVACOLZPZJS-UHFFFAOYSA-N 441.457 5.190 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 27161275 WZVNTLGLYBNYMM-DEOSSOPVSA-N 449.547 5.195 0 40 IKAB O[C@@]1(c2ccc(-c3ccccc3)cc2)CN(c2ccc(OC(F)F)cc2)C2=[N+]1CCCCC2 27525171 BUXVKUUWDBAAMJ-HHHXNRCGSA-N 449.521 5.605 0 40 IKAB Cc1ccc(-c2nsc(NC(=O)c3oc4ccc(Br)cc4c3C)n2)cc1 27988972 HQXXOBKBFXOKRA-UHFFFAOYSA-N 428.311 5.583 0 40 IKAB CC(=O)N1c2ccccc2N=C(c2ccc(Br)cc2)C[C@@H]1c1ccc(F)cc1 28121470 QVIKKJJSGKNIFX-HSZRJFAPSA-N 437.312 6.207 0 40 IKAB c1ccc(-c2nc(N3CCN(c4ccccc4)CC3)c3oc(-c4ccccc4)nc3n2)cc1 28287161 ZDEOWBAXBLVKMG-UHFFFAOYSA-N 433.515 5.278 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2cccs2)on1)c1ccc(C(C)(C)C)cc1 32622635 ZIRHHRQTORDJAU-FQEVSTJZSA-N 425.598 5.514 0 40 IKAB COc1ccc2cc([C@@H](C)C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)ccc2c1 32855859 DDGLOCPYJUALBB-HZPDHXFCSA-N 437.490 5.617 0 40 IKAB Cc1ccc(-c2csc(NC(=O)CCCc3nc(-c4ccc(Cl)cc4)no3)n2)cc1 33000075 YEKRXHQBAHZTTB-UHFFFAOYSA-N 438.940 5.783 0 40 IKAB CCC(=O)N1CCN(c2ccc(Cl)cc2NC(=O)/C=C/c2ccc(C(C)C)cc2)CC1 33389634 RKDOVMSPAGBWCP-KPKJPENVSA-N 439.987 5.174 0 40 IKAB Cc1ccc(CN(Cc2cc3cc4c(cc3nc2Cl)OCO4)C(=O)c2ccco2)cc1 35292100 RYJMUJIULCDGJB-UHFFFAOYSA-N 434.879 5.361 0 40 IKAB CCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccc(-c2cc(C(F)(F)F)ccc2Cl)o1 35332081 SCCKJFYCGSNAOT-QGZVFWFLSA-N 442.821 5.152 0 40 IKAB CCc1ccccc1NCc1cc(Br)c(OCc2ccc(C)cc2)c(OC)c1 40487616 ATXUCZLGENZLPA-UHFFFAOYSA-N 440.381 6.520 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44883759 UOIOLBISKMCNCV-HHHXNRCGSA-N 442.603 6.165 0 40 IKAB CCCCOC(=O)c1ccc(Nc2c(C(=O)N(CC)CC)cnc3nc(C)ccc23)cc1 49005607 ROSXHRRJUKXPAH-UHFFFAOYSA-N 434.540 5.121 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 57313524 BGMHXIDWGIIWMD-POWXATIXSA-N 445.588 5.852 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnc2scc(-c3ccccc3Cl)n2c1=O 64787998 DCZMRTMXEUFTKT-UHFFFAOYSA-N 449.841 5.348 0 40 IKAB CC(C)c1ccc(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1 67206946 FONUNMJISLUTFZ-UHFFFAOYSA-N 427.367 6.005 0 40 IKAB Cc1ccc(Cl)cc1/N=c1\oc2ccc(Cl)cc2cc1C(=O)NC[C@H]1CCCO1 67293052 NVZUXLDCAPHBRT-LYYOGKFUSA-N 431.319 5.189 0 40 IKAB Cc1cc(O)c(C2=Nc3ccccc3N[C@@H](c3ccc(Br)cc3)C2)c(=O)o1 71782817 XGSKMSOACGIELE-QGZVFWFLSA-N 425.282 5.094 0 40 IKAB CCc1nnsc1C(=O)N1CCC[C@H](c2cc(Cc3cccc(Cl)c3)cc(C)n2)C1 72354190 JLHZUGPCSRDHNM-SFHVURJKSA-N 441.000 5.068 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc3nc(C)cc(C)n3n2)n1 72370049 ZQBCOKRNRIDJRM-XMMPIXPASA-N 443.526 5.223 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3Cl)n2)cc1 95482472 FLIBLVVPIFKRHU-UHFFFAOYSA-N 436.364 5.244 0 40 IKAB Cc1ccc(N2C(=O)N(C(=O)c3cccs3)[C@H]3C[C@@]2(C)Oc2ccc(Cl)cc23)cc1 100033550 GPAFUZMFBZLSSU-FDDCHVKYSA-N 438.936 6.032 0 40 IKAB COc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2cccc(OC)c2)cc1 101353292 VGEAXFGXBVPIKY-UHFFFAOYSA-N 435.863 5.383 0 40 IKAB CC(=O)N1c2ccc(-c3ccc(C(=O)O)cc3)cc2[C@@H](Nc2ccc(Cl)cc2)C[C@H]1C 117492125 FAWSUKOIROHXAP-CMJOXMDJSA-N 434.923 6.004 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1C 218799937 ZGGDOBXNROSTJV-NRFANRHFSA-N 442.606 5.071 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](CC)c1ccc(C)cc1 219478591 GDTGGGQWPSUDIB-HSZRJFAPSA-N 448.588 5.001 0 40 IKAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222849002 LLNVNUKBHSZAOQ-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1cccc(C)c1)C(=O)CC(c1ccccc1)c1ccccc1 223048864 NBZZZRIEAZDBIW-SANMLTNESA-N 428.576 5.070 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 223314012 WLXHMTARLDNJQJ-YIXXDRMTSA-N 442.603 5.092 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 223398474 CVUKBYAUAPZKEY-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223399182 YOWBDRJPACNHGU-RPWUZVMVSA-N 429.520 5.653 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccccc3)o2)cc1 223832089 KZANTELMEHQXDR-RPBOFIJWSA-N 441.556 5.917 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3SC)cc2)cc1 223996799 JNWMZUKYEHWFEL-UHFFFAOYSA-N 444.603 5.184 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(C)cc1 224122007 FQWMUQLGEDTLJN-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1cccc2ccccc12)[C@H](C)C(=O)NCC(C)C 224139651 ZAZAIEPKFJNHAB-JOCHJYFZSA-N 430.592 5.270 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccccc3C(C)C)cc2C)cc1 224209319 VXXLEEGBVZCMPR-UHFFFAOYSA-N 436.577 5.504 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)cc1COc1ccc2ccccc2c1 224315220 TZVHMQYMPFPONF-UHFFFAOYSA-N 427.500 5.997 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224841392 VLJJEXSJFQWTNI-IBGZPJMESA-N 429.004 5.340 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 224912549 RRGLTRXASRRKEI-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225217307 UIBJCMNHDCREAT-QHCPKHFHSA-N 445.003 5.176 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1 225318401 WHYOVEYMPAPWJR-OYADDEIPSA-N 434.561 5.022 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(OC)cc3)CCCC2)ccc1O[C@H](C)CC 225754224 HBNCKYAHYHJTBJ-GOSISDBHSA-N 439.552 5.500 0 40 IKAB O=C1CCCN1c1cccc(NC(=S)NC2(c3cccc(C(F)(F)F)c3)CCCC2)c1 225870444 DLDWUWZNADJLAC-UHFFFAOYSA-N 447.526 5.588 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)C(c1ccccc1)c1ccccc1 408561190 HBDDQXPTLAFQOS-SGEDCAFJSA-N 447.003 6.458 0 40 IKAB CCn1c(-c2ccc(Cl)c(Cl)c2)c(C)s/c1=N\C(=O)C12CC3CC(CC(C3)C1)C2 408562228 OFCLPNMJHDGENS-ROMGYVFFSA-N 449.447 6.495 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2ccc(SC)cc2)C(=O)O)o1 408634215 SEEVQJAAVNTHQH-SXGWCWSVSA-N 434.926 5.338 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)o1 408634292 TXXZEONGOJKFCB-IUXPMGMMSA-N 427.869 5.098 0 40 IKAB O=C(O)/C(=C/c1cccc(OCc2ccccc2Cl)c1)Sc1nc2ccccc2o1 408634394 QPVCRLANZCGTJF-BKUYFWCQSA-N 437.904 6.278 0 40 IKAB O=C(CCNC(=O)OCc1ccccc1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409002495 NUTNMXYXWUQNIN-UHFFFAOYSA-N 432.564 5.409 0 40 IKAB CCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O 409067855 QFMGHIIHGZCCJA-WOJGMQOQSA-N 432.339 5.393 0 40 IKAB Fc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2Cl)cc1 409103546 DIDYDXOWCCRPEA-UHFFFAOYSA-N 444.362 6.596 0 40 IKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1 409108325 WAWMVYXHWORYMT-UHFFFAOYSA-N 437.568 6.312 0 40 IKAB CCOc1cc(C(=O)Nc2cc(Cl)ccc2Cl)cc(Br)c1OCC 409369210 HZEVDOVONKJTCM-UHFFFAOYSA-N 433.129 5.806 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)c1 409383802 HYOAKMAUOJZUNX-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(Cc3cccs3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242607 CQZXYSPFWXOJTB-IKVMQTKTSA-N 444.604 5.332 0 40 IKAB CC[C@@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)cc4)c(N)c3cc2C1 661708 RDAVFDHCERQHOU-LLVKDONJSA-N 430.371 5.408 0 40 IKAB Cc1ccc(C(=O)CN2C(=O)CN=C(c3ccc(C)cc3)c3c2sc2c3CCCC2)cc1 924538 UPOJOQKOQBPWTK-UHFFFAOYSA-N 442.584 5.311 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3cccc(Cl)c3)cc12 1371624 VJMIXWVDVKDNJK-FQEVSTJZSA-N 439.943 5.011 0 40 IKAB CCCc1nc2ccc(NC(=O)OC(C)(C)C)cc2c(=O)n1Cc1cccc(Cl)c1 1372457 JKYWCGWAMSRVFV-UHFFFAOYSA-N 427.932 5.398 0 40 IKAB Cc1cc(Nc2nnc(-c3cccnc3Oc3ccccc3)s2)ccc1Br 1573990 OBUUYWXARPXDPT-UHFFFAOYSA-N 439.338 6.207 0 40 IKAB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1cccc(OCc2ccccc2)c1 2187750 OBJBSFTYEUSUMS-KGENOOAVSA-N 434.289 5.373 0 40 IKAB Cc1cccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4cccc5ccccc45)[C@@H]3C2=O)c1 2200523 VCKMBHWNGBOGEH-NXCFDTQHSA-N 434.495 5.199 0 40 IKAB Cc1ccccc1N1CCN(c2cc(C(C)C)nc3c(-c4ccccc4)c(C)nn23)CC1 2203142 CQDCDKWKINDBRW-UHFFFAOYSA-N 425.580 5.463 0 40 IKAB CC(C)OC(=O)c1c(NC(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)sc2c1CCCC2 2354481 DNOCEGSLBAMVAA-LRDDRELGSA-N 430.397 5.722 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccccc1-c1ccccc1 2454484 CUHTYBCZTSJOTP-UHFFFAOYSA-N 431.586 5.968 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCC(=O)NC(c2ccccc2)c2ccccc2)c1 3219336 LAHCGRIDTJCBNT-UHFFFAOYSA-N 425.937 5.125 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)cc3)n2Cc2ccco2)c1 3440066 DPDHUCKFEIQVJB-UHFFFAOYSA-N 439.924 5.223 0 40 IKAB CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(Cl)cc3)oc3ccccc23)c1 3655561 JRXBSZFCVUZCGK-UHFFFAOYSA-N 447.918 6.748 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4C)ncnc32)cc1 3658761 JGWGIDULHWTSLP-UHFFFAOYSA-N 437.568 6.697 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C1CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 3846391 KRLZDCUGJCHXMY-DSEDTWFCSA-N 448.688 6.801 0 40 IKAB biogenic O=S(=O)(Nc1nc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1)c1ccccc1 6142866 RWAIKNDGQKZQBW-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB CC[C@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 6821301 SDYDJBWUOMWXJC-ZWKOPEQDSA-N 435.277 5.379 0 40 IKAB COc1ccccc1C(=O)Oc1cccc2c(OC(=O)c3ccccc3OC)cccc12 8453364 GYWUWMCNOMYRLT-UHFFFAOYSA-N 428.440 5.295 0 40 IKAB C[C@H](c1nnc(SCc2cc(-c3ccccc3)on2)n1-c1ccc(Cl)cc1)N(C)C 8723976 JSBLFFAIGAQLLE-OAHLLOKOSA-N 439.972 5.491 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8828189 YGNQYBHTMULWAT-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=S)NC(=O)c1cccc(F)c1 8831225 KGIOZRIHOKYWKT-UHFFFAOYSA-N 447.539 5.118 0 40 IKAB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1cccc(Cl)c1 8831437 TUGJUXAUSFUUNN-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB COc1c(C(=O)Nc2nc3c(C)cc(C)cc3s2)cc2ccccc2c1Br 8832039 HNCCJTJNPZKVSN-UHFFFAOYSA-N 441.350 6.090 0 40 IKAB Cc1noc(C)c1COc1ccccc1C(=O)Nc1cccc(/C=C/c2ccccn2)c1 8900739 NMLROHVRNXMKAI-BUHFOSPRSA-N 425.488 5.688 0 40 IKAB CCN1C(=O)c2cc(NS(=O)(=O)c3ccc4c(c3)CCCC4)ccc2Oc2ccccc21 8961130 CMMNXTCAHZLEEJ-UHFFFAOYSA-N 448.544 5.139 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1 9062195 FLTRBCYXLQTDAH-FOCLMDBBSA-N 426.501 5.109 0 40 IKAB Nc1c(C(=O)Nc2nccs2)sc2nc3c(c(-c4ccc(Cl)cc4)c12)CCCC3 9089955 RUQSXAXZAVECQC-UHFFFAOYSA-N 440.981 5.787 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(Cl)c(NC(=O)c2cccs2)c1 9125874 UTTNBTFUQRFQMK-UHFFFAOYSA-N 448.931 6.698 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CC34CC5CC(CC(C5)C3)C4)c2C(N)=O)C1 9226644 MGAFFLFGHINHSN-UHPHFRDNSA-N 428.642 5.543 0 40 IKAB O=C(CSc1nnc(-c2cccs2)o1)N1c2ccccc2OC[C@@H]1c1ccccc1 9254823 PNTQHAPEPWXHHI-QGZVFWFLSA-N 435.530 5.057 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)c3ccccc3[C@@H]2c2cn(C)c3ccccc23)cc1Cl 9289220 BZNDVTGNUWOXLN-RUZDIDTESA-N 443.934 5.324 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 9307811 BKGMDMLMJLUVLD-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB COc1ccc([C@@H]2CC(=O)c3cnc4c(-c5ccc(Cl)cc5)c(C)nn4c3C2)c(OC)c1 9427245 IHRAWPYLZNIIIH-INIZCTEOSA-N 447.922 5.288 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 9975320 SVGRPNCJULMHKL-IBGZPJMESA-N 438.527 6.091 0 40 IKAB COc1cccc(CNC(=O)Cc2c(C)c3c(cc(C)c4c(C(C)(C)C)coc43)oc2=O)c1 11867443 AZKUHBLOCYJRJP-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 12195812 NDOHUDLCAOTDRY-LADGPHEKSA-N 436.964 6.313 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 12578443 PTYANRLZQNQFAF-UHFFFAOYSA-N 428.344 6.063 0 40 IKAB CCC[C@@H](NC(=O)Cn1cnc2sc(C)c(-c3ccccc3)c2c1=O)c1ccccc1 12764071 XSMIMPIAGOJMEZ-HXUWFJFHSA-N 431.561 5.091 0 40 IKAB C[C@@H](OC(=O)CCC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1cccc(Cl)c1Cl 12854611 JLFTXUJTOSUIMP-CYBMUJFWSA-N 434.319 5.015 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(SCc3noc(C)n3)nc3cc(Cl)ccc3c2=O)cc1 12918792 WXVCMTJJRYONRD-CYBMUJFWSA-N 440.956 5.536 0 40 IKAB Cc1ccc(-n2cc(C(=O)c3ccccc3OCc3cccc(C(F)(F)F)c3)cn2)cc1 12955233 TWWZRHZIYZVVBF-UHFFFAOYSA-N 436.433 6.010 0 40 IKAB FC(F)(F)c1cnc(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)c(Cl)c1 12960497 RODYYVCYQDKXEG-UHFFFAOYSA-N 444.869 6.424 0 40 IKAB O=C(CSc1cccc2cccc(Cl)c12)OCc1cc(Cl)c2c(c1)OCCCO2 13040844 FDXGUSKATXRZFT-UHFFFAOYSA-N 449.355 6.143 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c2sc(C(=O)Nc3ccc(C(=O)O)cc3)cc12 13259689 GQHBSXUOIQGPCG-UHFFFAOYSA-N 445.422 5.365 0 40 IKAB COc1cccc(-c2nn(Cc3ccc(F)cc3Cl)c(-c3cccc(OC)c3)c2C)c1 13960506 CPRPZHJDIOHGEG-UHFFFAOYSA-N 436.914 6.384 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1 14492687 NKYUZOHIBFKLFP-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(-c2cccs2)nn1-c1ccccc1 15324006 PPXPOWLVFCRNHI-UHFFFAOYSA-N 429.530 5.372 0 40 IKAB COc1ccc(C(=O)CCCCCCCCCCC(=O)c2ccc(OC)cc2O)c(O)c1 16215391 WNZPRUPAOMQKSR-UHFFFAOYSA-N 442.552 6.082 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@H](c3ccc(F)cc3)C2)cc1OC 16227248 NXRPBKZUOWHWDZ-NRFANRHFSA-N 438.886 5.488 0 40 IKAB Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4ccccc4Cl)ncnc32)c1 16757649 HLXQUYUZPXDNFL-UHFFFAOYSA-N 441.987 7.342 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2ccccc2c1 17100267 FLLSTMSFLPFOMY-UHFFFAOYSA-N 436.511 7.032 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)COc2ccc3ccccc3c2)cc1 19631723 XORAVKHLLFVPRV-UHFFFAOYSA-N 440.499 5.024 0 40 IKAB CCN(C(=O)c1ccc(C)nc1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711966 FJLKMAZTDUFJJA-LOSJGSFVSA-N 436.502 5.718 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)nnc2c1-c1cccc2ccccc12 20672779 DWIHMIPUURGCRN-UHFFFAOYSA-N 441.922 5.721 0 40 IKAB C[C@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 21331339 MODKXLFNXCJTTB-NVXWUHKLSA-N 444.457 5.167 0 40 IKAB Cc1ccc2cccc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)c2n1 21595805 VZHZHGMUYIOGBT-UHFFFAOYSA-N 427.529 5.249 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1c(F)cccc1Cl 22510815 OMYXMARQLKTLDC-QFIPXVFZSA-N 431.960 5.839 0 40 IKAB Fc1ccc(OCc2nc(CN3CCC[C@@H](c4nc5ccccc5s4)C3)cs2)cc1 24971431 LBSGWBCBPSXUBA-MRXNPFEDSA-N 439.581 5.851 0 40 IKAB CCO[P@@](=O)(c1ccccc1)[C@@H](NC(=O)c1ccccc1C)C(Cl)(Cl)Cl 26962884 SGDZPTMIISDAHO-QUGAMOGWSA-N 434.687 5.061 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3cccn3-c3cccc(C)c3C)C(O)=NC2=S)cc1 33735696 JYKWRGIPVCHCJL-RCCKNPSSSA-N 429.545 5.328 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2Cl)c1 33879265 MMURTXHLASBQIT-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O 33910087 MNDJWAKEJGFTBX-YENTXNKWSA-N 427.931 5.891 0 40 IKAB COc1cc(-c2nc3ccc(Cl)cn3c2Nc2ccc(C(C)C)cc2)cc(OC)c1O 35606374 FYCJCBONGVLZSM-UHFFFAOYSA-N 437.927 6.245 0 40 IKAB COc1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1Cl 46078711 AQIKWHVSSKDQDP-UHFFFAOYSA-N 434.923 5.502 0 40 IKAB COc1ccc(CN2Cc3cc4c(C(C)(C)C)nn(-c5ccccc5)c4nc3OC2=O)cc1 57744281 VMRGPTNOVPULGH-UHFFFAOYSA-N 442.519 5.241 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)NC(C)(C)c2c(Cl)cccc2Cl)cc1 58377574 KIIAFBBWEZVJFM-UHFFFAOYSA-N 435.380 5.026 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(Cl)c3)n2)cc1 58960170 DCDLKMDRYYVNRW-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3ccc(C)c(C)c3)n2)cc1 58960189 FGVUWLPDZFYKLE-UHFFFAOYSA-N 431.483 5.818 0 40 IKAB COc1ccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)cc1OC 67297136 UYYISTKEDNZWLS-RQZHXJHFSA-N 428.488 5.552 0 40 IKAB COCc1cc(CN2CCC[C@H]2c2cncc(Nc3ncccc3C)n2)ccc1OC(C)C 72376454 ZNAMJNMPOSNKGR-QHCPKHFHSA-N 447.583 5.194 0 40 IKAB Cc1ccc(Nc2cnn(C34C[C@H]5C[C@@H](CC(CC(=O)O)(C5)C3)C4)c(=O)c2Cl)c(C)c1 101095993 YVDKEWVWUCIMIQ-GAAJCNLQSA-N 441.959 5.027 0 40 IKAB CC(=O)C(Sc1c(Cc2ccccc2)c(C)nc2c(-c3ccccc3)c(C)nn12)C(C)=O 101180507 YIRYDOIBEQAIGK-UHFFFAOYSA-N 443.572 5.243 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2-c2ccccc2)cc1)[C@H]1[C@@H]2C[C@H]3OC(=O)[C@H]1[C@H]3C2 101632071 QBBBQKLXRHRJKQ-OUZCYRFOSA-N 425.484 5.282 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222553543 KEOOENFYHUGLNN-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Br)cc2)S1 222625132 PYWWTWRKELMWPH-GKCIPKSASA-N 439.382 5.224 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cc(C)cc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222750077 MNMKRPYXRRSVPF-OAQYLSRUSA-N 440.653 5.177 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 222983465 MLGPINVKNPMTJX-RTWAWAEBSA-N 446.403 6.421 0 40 IKAB COc1ccc(CN(C(=O)CCc2cccc3ccccc23)[C@@H](C)C(=O)NC(C)(C)C)cc1 223090211 LXFRZKLZNFUYTH-FQEVSTJZSA-N 446.591 5.113 0 40 IKAB Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223091931 XGVZIVCZVUDPRX-DNQXCXABSA-N 449.645 6.439 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 223127741 GLXBYVUEBWOYFE-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB COc1cccc(OCc2cc(C(=O)N[C@@H](C)c3ccc(Cl)cc3)ccc2OC)c1 224260728 ALLWPTZWYSBXBE-INIZCTEOSA-N 425.912 5.427 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NC(C)(C)CC(C)(C)C)c(Cl)c2)cc1 224403797 BQCJPCYZVMBVMO-UHFFFAOYSA-N 437.005 5.394 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(F)cc3)o2)cc1 224411373 LCBAZYMSNYIGGX-DHIUTWEWSA-N 433.483 5.797 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 224689175 IQDMCVFPFWVEKT-QHCPKHFHSA-N 429.004 5.161 0 40 IKAB CC[C@@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C)c1ccc(C)c(C)c1 225100885 XLBLSORRHFQLOY-KDYMBEQYSA-N 432.589 5.712 0 40 IKAB CC(C)Oc1ccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)cc1 225365866 OPOWKOUFIFCPMI-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB CC[C@H](NC(=S)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1)c1ccc(C)cc1 225485051 XUMTYHSDEOQBHR-VWLOTQADSA-N 444.644 6.961 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1 225606529 HJXVYQSYCKAPTJ-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB C[C@@H]1Cc2cc(Br)ccc2N1C(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 225903896 XQWZMEHORIKUKF-NVXWUHKLSA-N 447.804 5.292 0 40 IKAB COc1ccc2[nH]cc(CCN[C@@H]3CCN(Cc4ccccc4)C[C@H]3c3ccccc3)c2c1 245227397 LFBLAPKRGFZMMM-LMSSTIIKSA-N 439.603 5.367 0 40 IKAB O=C1CS[C@H](c2c(OCc3ccccc3)ccc3ccccc23)N1c1ccc(Cl)cc1 408555014 GROCXMWEJCKACR-AREMUKBSSA-N 445.971 6.851 0 40 IKAB COc1ccccc1Oc1ccc(NC(=O)c2ccc(-c3ccc(F)c(Cl)c3)o2)cc1 408625126 WWUVOKRRJJYLFA-UHFFFAOYSA-N 437.854 6.792 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc3ccccc3c2)nc1-c1ccccc1 408699103 USFBHHSJHYAXHE-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1 408699726 YUXTXDAJJNERJZ-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cc(Cl)ccc3OCc3ccccc3)o2)cc1 408713847 APRCQPGNELGCSR-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB O=C1S/C(=C\c2ccccc2Sc2ccc(Cl)cc2)C(=O)N1CC1CCCCC1 409127158 QGVNYAMNZMSVLV-STZFKDTASA-N 444.021 7.108 0 40 IKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CC(=O)N(C(C)C)C(C)C)C2=O)cc1C(C)C 409218352 UMTJUUFOSNOBST-MTJSOVHGSA-N 446.613 5.199 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@H](O)c1ccc(-c2ccsc2)s1 828019310 BEEUUCVOORCZFG-INIZCTEOSA-N 425.497 5.278 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccccc2)cc1 664309 VYJVEZPNNYIZJP-UHFFFAOYSA-N 429.545 5.232 0 40 IKAB CCc1ccc(C(=O)CSc2nnc(-c3ccc(OC)cc3)n2-c2ccccc2)cc1 716252 ALJUYIYLGAJFST-UHFFFAOYSA-N 429.545 5.480 0 40 IKAB CCOc1ccc(C(=O)[C@H]2c3cc(OC)c(OC)cc3C(=O)C[C@H]2c2ccccc2)cc1 841660 BHHYYKURYGQDOL-RXFWQSSRSA-N 430.500 5.439 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)N(C)c3nc(-c4ccccc4)cs3)cc12 882029 DHNOQXHKLMBHDF-UHFFFAOYSA-N 430.558 5.796 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3nc4ccccc4s3)o2)cc1 1107612 RKARSWGWNVNYPE-UHFFFAOYSA-N 440.550 5.113 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3F)cc2c1 1327364 NOOILZBLLOBZHC-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB CC(C)c1ccccc1OCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1834505 KIPGXRCWRPWPQR-UHFFFAOYSA-N 446.978 6.700 0 40 IKAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 1851641 ACSVJVQDVKWOOC-FMIVXFBMSA-N 433.499 5.222 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cccc(C)c3)c2c1 2074114 IKYOZABBTVIEFC-UHFFFAOYSA-N 431.536 6.038 0 40 IKAB CC(C)=CCC/C(C)=C/COc1ccc2cc(-c3ccc4ccccc4n3)c(=O)oc2c1 2097016 UOQTYHOLIYZSPV-HMMYKYKNSA-N 425.528 7.080 0 40 IKAB biogenic 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@H]2OC(=O)c2ccccc2)C1 2131789 MCVIVMYFDOKJSH-ZYYNSJHNSA-N 438.608 6.186 0 40 IKAB CC(C)COc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2250856 FTXGPSSBVSQOOL-UHFFFAOYSA-N 438.575 6.251 0 40 IKAB COc1ccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 2325743 NMLQZJUNGBHAHE-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic COc1cccc(Oc2c(C)oc3cc(OCc4ccc(F)cc4Cl)ccc3c2=O)c1 2431362 UWQSRZJELHMFKJ-UHFFFAOYSA-N 440.854 6.274 0 40 IKAB biogenic Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C 2546454 XKRJOCZTXQEHDJ-HSZRJFAPSA-N 447.991 6.867 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2725399 LYERPVIABJWDEL-QFIPXVFZSA-N 448.828 5.416 0 40 IKAB OC(CSc1c(Cl)cccc1Cl)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 3128417 NYVYTBNLMMTHBP-UHFFFAOYSA-N 444.210 7.328 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2ccc3ccccc3c2)sc2c1CCCC2 3226128 JKLNHNHNIFNCAM-UHFFFAOYSA-N 425.575 5.688 0 40 IKAB C[C@@H]1CCc2c(sc3ncnc(SCCOc4ccc(Br)cc4)c23)C1 3352647 AVHNNZGRPYNSHY-GFCCVEGCSA-N 435.412 5.750 0 40 IKAB CCOc1ccc2nc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)sc2c1 3451559 QUJNOCQYHWWHHB-UHFFFAOYSA-N 427.378 5.874 0 40 IKAB CCCCOc1cccc(C(=O)Nc2c(C(=O)c3ccc(C)cc3)oc3ccccc23)c1 3655563 OXZUBZHEDZZYIX-UHFFFAOYSA-N 427.500 6.403 0 40 IKAB O=P(OC1CCCCC1)(OC1CCCCC1)[C@@H](Nc1ccccc1)c1ccccc1 6402943 RYYOZEZJEQLLOR-RUZDIDTESA-N 427.525 7.689 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-c1ccccc1)Nc1cccc2ccccc12 6474773 OLTCHSGKXXGVHS-UHFFFAOYSA-N 442.588 6.199 0 40 IKAB Cc1cc(C)cc(N(C(=O)c2ccccn2)[C@H](C(=O)NC2CCCCC2)c2cccs2)c1 8666766 OGVNZOFNAYNXOJ-DEOSSOPVSA-N 447.604 5.597 0 40 IKAB CC(=O)Nc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 9140577 WRUPIRMVRVZASE-UHFFFAOYSA-N 427.554 6.453 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3ccc(C)cc3C)s2)cc1 9155981 HXMQKRVPIWQWFR-UHFFFAOYSA-N 431.608 5.187 0 40 IKAB Cc1ccc(CNC(=O)CCc2c(C)c3cc4c(C(C)(C)C)coc4cc3oc2=O)cc1 9198991 ODDHOCKFIKPVLE-UHFFFAOYSA-N 431.532 5.703 0 40 IKAB CSc1nc2ccc3nc(Nc4nc5ccc(C(C)C)cc5s4)sc3c2s1 9277685 GSUGLQQMKNOXPW-UHFFFAOYSA-N 428.633 7.105 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)N(C)c4ccccc4)n2)COC(C)(C)C3)cc1 9448614 OJXRDCGRNXLVTC-UHFFFAOYSA-N 433.577 5.058 0 40 IKAB O=c1/c(=C/c2ccc(OCc3cccc4ccccc34)cc2)sc2nc3ccccc3n12 9461504 LNHMWXBXKVTPCI-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB O=C(CCC1CCCC1)Nc1c(C(=O)Nc2ccc3c(c2)OCCO3)oc2ccccc12 9518505 CSBUBTOUIRILSX-UHFFFAOYSA-N 434.492 5.365 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N[C@H]4C[C@@H](C)CC(C)(C)C4)ncnc32)cc1 9531291 MUCKECRIZRAIKH-CTNGQTDRSA-N 440.591 6.723 0 40 IKAB CN(C)Cc1ccc(CNC(=O)CCc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 9607759 RSODTONHFWVUJB-UHFFFAOYSA-N 429.539 5.285 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3OC(F)F)c2n1 9703435 HAENWLXFCULWOO-UHFFFAOYSA-N 427.234 5.469 0 40 IKAB CCc1ccc(-c2n[nH]c(SCC(=O)N[C@@H](c3ccccc3)c3cccs3)n2)cc1 9727703 DTTFGHRQEIXCFG-NRFANRHFSA-N 434.590 5.094 0 40 IKAB c1ccc(Oc2ccc(-c3nc(-c4c[nH]c5ccccc45)[nH]c3-c3ccccc3)cc2)cc1 9761278 GBDNILIHZRREQM-UHFFFAOYSA-N 427.507 7.684 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ccccc2Cc2ccccc2)cc1 9914585 QDRDZJHEHWHLFF-UHFFFAOYSA-N 426.516 5.642 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2cccc(OCc4ccccc4)c2)N3)C1 10058993 DDKOBMRJHOZXOI-DVECYGJZSA-N 446.616 6.907 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4)no3)nc3ccccc3c2=O)cc1 10442613 XCKYPVBFYXLIAN-UHFFFAOYSA-N 426.501 5.036 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(SC)cc2)cc1 12197060 IELBFTGGLDGNHY-UKILVPOCSA-N 432.545 5.668 0 40 IKAB CCOc1ccc(N2C(=O)c3[nH]nc(-c4ccc(OC)cc4)c3[C@H]2c2cccc(F)c2)cc1 12411850 FBUQIMWVPMWSDM-RUZDIDTESA-N 443.478 5.373 0 40 IKAB CCOC(=O)Cc1csc(NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)n1 12568825 IBCGSZSLDRYGKN-UHFFFAOYSA-N 446.981 5.447 0 40 IKAB O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC(c2nc3ccccc3[nH]2)CC1 12738052 YATJBQITHAWXTM-SOFGYWHQSA-N 433.861 5.655 0 40 IKAB CN(C)[C@@H](CNc1nc(-c2cccnc2)nc2sc3c(c12)CCCC3)c1ccccc1 13014174 XMZLXZHLHQLRMQ-FQEVSTJZSA-N 429.593 5.347 0 40 IKAB O=C(CSc1nc(C2CCCCC2)n(-c2ccccc2)n1)Nc1cccnc1Cl 13112521 FJAJCHSBBXXRJA-UHFFFAOYSA-N 427.961 5.094 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(F)cc2)nc2ccccc12 13112785 MPDWSWHGDZOTCW-UHFFFAOYSA-N 427.479 5.130 0 40 IKAB CCCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N=C(Nc3ccccc3)S2)cc1 13552207 BESASIBNSZSSRJ-FQEVSTJZSA-N 425.554 5.084 0 40 IKAB O=C(Nc1c(-c2cc(=O)oc3cc4c(cc23)CCC4)oc2ccccc12)c1ccccc1F 13628464 BIOFLGRRWLZTCH-UHFFFAOYSA-N 439.442 6.086 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)N1CCN(c2cccc(C(F)(F)F)c2)CC1 13892185 CAXKQRGVQWNRQC-FNORWQNLSA-N 429.269 5.374 0 40 IKAB CCOc1cc(C(=O)Nc2nc(-c3ccc(OC)cc3)cs2)cc(OCC)c1OCC 14272492 QRQAWLQBTCXYGB-UHFFFAOYSA-N 442.537 5.267 0 40 IKAB COc1ccc(-c2nc(NC(=O)CCCSc3nc4ccccc4[nH]3)sc2C)cc1 15978444 YYYUBUYAFDUTNZ-UHFFFAOYSA-N 438.578 5.514 0 40 IKAB CCOCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16687994 QELVESDTWFCOAP-UHFFFAOYSA-N 447.200 5.851 0 40 IKAB CCN(C(=O)c1cnn(C)c1C)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711970 HBLITQKVMHXDDK-LADGPHEKSA-N 439.506 5.056 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(C)cc2C)cc1 22275363 BQALIARKXRXHSY-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 26496335 UUWMUCVFFZGBSE-GOSISDBHSA-N 438.833 5.184 0 40 IKAB CC(C)c1ccc(/C=c2\sc3nc(/C=C/c4ccc(Cl)cc4Cl)nn3c2=O)cc1 26779608 ABYRHQKCUKPNRQ-OVYHWSPPSA-N 442.371 5.299 0 40 IKAB Cc1ccc(OCCN(C#N)c2nc(C)cc(Oc3ccc(Cl)cc3Cl)n2)cc1 28286395 ZJQNPVWOJVGDRC-UHFFFAOYSA-N 429.307 5.559 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)cc1 30854787 JVBLINWWHZNSPO-UHFFFAOYSA-N 428.941 5.517 0 40 IKAB CC1=C[C@@H](CNCc2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2cccnc2)o1 30882888 JCFKRIKVESFIER-FIXSFTCYSA-N 434.559 5.458 0 40 IKAB biogenic,in-vitro CCCCN1C[C@H](c2nc3ccccc3n2CCOc2cc(C)ccc2C(C)C)CC1=O 31903459 AGNGIISVOPLPSW-OAQYLSRUSA-N 433.596 5.663 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nn(Cc2ccccc2F)cc1Cl 32610000 MUIFCURZYQDOHB-UHFFFAOYSA-N 428.678 5.048 0 40 IKAB c1ccc(-c2csc3nc(CN4CCCCC4)nc(Sc4nnc(C5CC5)o4)c23)cc1 36397872 BFYPASWHIGDMBD-UHFFFAOYSA-N 449.605 5.756 0 40 IKAB O=C(c1ccc2ncsc2c1)N(Cc1ccc(Br)cc1)Cc1ccccn1 48312586 GERMLSRRHYUAAR-UHFFFAOYSA-N 438.350 5.296 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)NC(=S)Nc1c(Cl)ccc2nsnc12 57315965 ACRPUDOMVLWOCL-QHHAFSJGSA-N 443.768 5.178 0 40 IKAB O=C1N[C@H](c2ccc(OCc3ccccc3)cc2OCc2ccccc2)Oc2ccccc21 59488781 JOYBAURVRDKZJY-NDEPHWFRSA-N 437.495 5.666 0 40 IKAB COc1ccc(CCN2C(=O)c3[nH]c4ccccc4c3C[C@H]2c2ccccc2)cc1OC 68605331 DUUXQDMRPWLUGK-QHCPKHFHSA-N 426.516 5.167 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC4(OCCO4)[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 80679658 PECVQXJSAFWCOS-OXKYWHGHSA-N 446.716 6.822 0 40 IKAB Cc1ccc2sc(-c3ccc(N4C(=O)C[C@H](Sc5ccc(N)cc5)C4=O)cc3)nc2c1 100284020 QZDLMIRUNBRTEU-NRFANRHFSA-N 445.569 5.278 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(OC)cc3)CC(O)=C2[C@H]1c1ccco1 100429434 CLGJGVPRZABLNA-XRHLQHRESA-N 442.515 6.248 0 40 IKAB CCN(CC)c1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccccc4)C3=C(O)C2)cc1 103450734 WMUGBHWKXAIERP-ZTOMLWHTSA-N 437.587 7.162 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 108917445 XMPSNGHKBUQOBE-UHFFFAOYSA-N 433.891 5.693 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 223077560 KRVSCZGWGOFGGQ-FQEVSTJZSA-N 445.003 5.141 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223850381 OWDWABFMVXRGTG-ZEQRLZLVSA-N 426.545 5.063 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224357312 ANYBDNXCVJZMTL-DQEYMECFSA-N 439.588 5.568 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)C1CCN(Cc2cccc(Cl)c2)CC1 224709470 VFAJZODLJVPORX-UHFFFAOYSA-N 447.391 5.363 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(C)cc1 224943399 BMBXKMIIKGRTKS-DEOSSOPVSA-N 440.653 5.099 0 40 IKAB Brc1ccc(Cc2nc3cc(Br)cc(Br)c3[nH]2)cc1 226342887 MJWKAAFIKGYICT-UHFFFAOYSA-N 444.952 5.441 0 40 IKAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2[C@H]3CCCC[C@H]32)CC1 257224192 FARSPDJXZDKQLL-GPOLMCQNSA-N 444.619 5.029 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1CCc1ccc(F)cc1 257233405 GPDJMJZXKUMISE-RUZDIDTESA-N 446.522 5.000 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3cccs3)cc2)CCN(C(=O)C(C)(C)C)CC1 257243479 IHEXOZSFBFAARD-UHFFFAOYSA-N 426.626 5.137 0 40 IKAB CN(C(=O)Cc1ccccc1F)[C@H]1CCCN(C(=O)c2ccccc2-c2ccccc2)CC1 257274802 NMRXVCSQXMFELB-QHCPKHFHSA-N 444.550 5.189 0 40 IKAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257340201 ZFAOSTFQBDTUET-FQEVSTJZSA-N 426.948 5.143 0 40 IKAB COC(=O)CC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3[C@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 257347672 PMJBQFRZSVOFFB-ATTVLZBPSA-N 448.644 5.137 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccccc2OCC)cc1 408674941 FDGPZHWHTWKOHE-UHFFFAOYSA-N 428.488 5.225 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1 408976999 HOGUBVMSXJKFEZ-UHFFFAOYSA-N 429.483 6.026 0 40 IKAB O=C(Oc1ccc([C@@H]2Nc3c(C(=O)O)cccc3[C@@H]3[C@H]4CC[C@@H](C4)[C@H]23)cc1)c1ccccc1 408991073 MOBMMUOHGMJRQC-ZGTHKHSNSA-N 439.511 5.901 0 40 IKAB COc1cc(OC)c(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1Br 408993578 WNKCKTQQHSRQGI-UHFFFAOYSA-N 435.343 5.113 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccc(F)cc4)cc3)C(=O)O2)cc1Cl 409197694 MGAANGDFXYTHBO-MTJSOVHGSA-N 435.838 5.351 0 40 IKAB CCCCC[C@H]1CC[C@H](c2ccc(-c3ccc([C@H]4CC[C@H](CCC)CC4)c(F)c3)cc2)CC1 584578770 WCXZSYPOJLDRLL-HSTSEFGESA-N 448.710 10.421 0 40 IKAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[C@@H](Oc2cccc(F)c2)[C@@H]1O 585271543 ANPUPFDQFHGCIC-KJXAQDMKSA-N 443.902 5.172 0 40 IKAB CCc1ccc(CN2CCCCCOc3ccc(C(=O)O)cc3Cc3cccc(c3)C2)cc1 643583064 LUVVARRQYABXKI-UHFFFAOYSA-N 443.587 6.103 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C)c3C)n2-c2ccccc2)cc1 648607 UKNHSXFOUIKCIB-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCCCC1 867006 PBXZJTCEKAJLNC-CABCVRRESA-N 444.860 5.352 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)c1 884823 DCVWNNFGHOYWOK-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Cl)cc2Cl)c2c3c(sc2n1)CCCC3 1248746 UDNIHCURWLZCGN-UHFFFAOYSA-N 438.405 5.916 0 40 IKAB Cc1cccc2cc(CN(CCc3ccccc3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c12 1378221 QKVPANYTUJXKPJ-UHFFFAOYSA-N 445.950 5.767 0 40 IKAB O=S(=O)(c1ccccc1)c1cnc(-c2cccnc2)nc1-c1ccc(Cl)c(Cl)c1 1402835 CMTZXORZMMXAET-UHFFFAOYSA-N 442.327 5.345 0 40 IKAB COc1ccc(N(C(=O)c2ccc(C)cc2)C(C)(C)C(=O)Nc2c(C)cccc2C)cc1 1410276 UMBSNQDSANCFMN-UHFFFAOYSA-N 430.548 5.685 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2ccc(Br)cc2)nc1-c1ccccc1 1509261 VWIBPHLGNHSPJE-UHFFFAOYSA-N 431.311 5.002 0 40 IKAB Cc1ccc2sc(-c3ccc(NC(=O)COc4ccc(Cl)cc4Cl)cc3)nc2c1 1823025 JDTQYXIRVVACPM-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)Oc1ccc2c(-c3ccccc3)cc(=O)oc2c1 2093025 TYVQHTFSJGZSQP-HXUWFJFHSA-N 437.492 5.059 0 40 IKAB biogenic O=C(Nc1ccccc1O)c1ccccc1Oc1ccccc1C(=O)Nc1ccccc1O 2194590 ZKFALGHUNSXSPK-UHFFFAOYSA-N 440.455 5.395 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1 2251020 VIMKROIOOBRTGF-HXUWFJFHSA-N 427.729 5.869 0 40 IKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2c2cccc3ccccc23)cc(OC)c1OC 2309145 OVJVOLLFZASNGD-SANMLTNESA-N 440.499 5.637 0 40 IKAB Cc1ccc(-c2nnc(SCc3c(Cl)cccc3Cl)n2-c2ccc(C)cc2)cc1 2443851 GTOTUFGTHCRUHA-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccn(Cc2ccc(C(F)(F)F)cc2)c1=O 3134492 QUZUUYXNMLPFFY-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB C[C@H](NC(=O)CSc1ccc(Br)c2cccc(Cl)c12)c1ccccc1 3226629 GSWJOKOHFZJOFI-ZDUSSCGKSA-N 434.786 6.225 0 40 IKAB CSc1nc2ccc(NC(=O)c3nc(-c4ccccc4)n(-c4ccccc4)n3)cc2s1 3306330 ZNNAIHZYQXSYRI-UHFFFAOYSA-N 443.557 5.518 0 40 IKAB CCOc1ccc2cc(-c3nc(-c4ccccc4)sc3-c3ccc(C)cc3)c(=O)oc2c1 3349868 CHCVRWMYHYQEAF-UHFFFAOYSA-N 439.536 6.958 0 40 IKAB COc1ccc(-c2csc(NC(=O)CCCOc3cccc(Br)c3)n2)cc1 3360213 NONFYLQLDNPFRE-UHFFFAOYSA-N 447.354 5.379 0 40 IKAB Cc1ccc([C@@H]2c3c(C)nn(-c4ccccc4C)c3N=C3C(Cl)=CC(Cl)=CN32)cc1 3366181 YEMNVAYACSCOFR-JOCHJYFZSA-N 435.358 6.449 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)Nc1ccccc1C(F)(F)F 3386732 XPSSFSJGNOMCFE-UHFFFAOYSA-N 439.462 6.046 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccn1)c1ccccc1 4848528 CMSLHIBDCXHFBC-RUZDIDTESA-N 427.548 5.227 0 40 IKAB Clc1ccc(Cc2cn3cc(-c4ccc(Br)cc4)nc3s2)cc1Cl 6143839 LOTUGEUBDNKKED-UHFFFAOYSA-N 438.177 6.723 0 40 IKAB CCC1=NN(C(=O)c2ccc(C(C)(C)C)cc2)[C@@](O)(c2ccc(Br)cc2)C1 6471527 TYDDVCRBJULCPG-QFIPXVFZSA-N 429.358 5.204 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1cc(=O)c2ccccc2o1 8612265 FMFTZRHLBWNSEY-UHFFFAOYSA-N 443.842 5.676 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)cc1 8836715 LXXJZTMDCOKJQF-AZGAKELHSA-N 432.951 6.761 0 40 IKAB Brc1ccc([C@H]2[C@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 9300959 RZJCTHGSILXXSP-ZCQPIILRSA-N 433.349 6.843 0 40 IKAB COc1ccc2cc([C@@]3(C)NC(=O)N(Cc4csc(-c5ccsc5)n4)C3=O)ccc2c1 9315443 JNNFCNJQSIUQIP-HSZRJFAPSA-N 449.557 5.001 0 40 IKAB CCCCOc1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 9432024 CELZCUZCXWCFLQ-GCJKJVERSA-N 443.613 5.275 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)cc1 9491372 SSUINBAXVBERDH-SFHVURJKSA-N 427.854 5.392 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)nnc1-c1ccccc1 9664604 UGUCVWJYMJZEJK-OAQYLSRUSA-N 432.524 5.576 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccccc2Cl)NC(=O)N1C1CC1 9781892 QWOWPBTUARXIIX-LJQANCHMSA-N 449.860 5.500 0 40 IKAB Cc1ccc(C(=O)c2cn(CC(=O)Nc3ccccc3C)c3ccc(Cl)cc3c2=O)cc1 9856242 JBOHHYHRJGCARH-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB CCCCC(=O)Nc1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 10059724 CEKWBDCGTWBQJT-UHFFFAOYSA-N 443.572 6.653 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(OC)cc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12124326 JXASTVOPELZWBD-AOYPEHQESA-N 430.504 5.345 0 40 IKAB S=C(NCCn1c(-c2ccccc2)cs/c1=N/c1ccccc1)NC1CCCCC1 12558709 HTWVGZNXGCTGDE-SOYKGTTHSA-N 436.650 5.246 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 12676923 KHGNTIAOPNOYDD-CQSZACIVSA-N 431.945 5.546 0 40 IKAB Cc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)Nc1ccccc1N1CCCC1=O 12682661 KMNSSLHJPRGYII-UHFFFAOYSA-N 436.515 5.227 0 40 IKAB COc1ccc(-c2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)c(OC)c1 12700543 VYIAYAYHEAWQAG-UHFFFAOYSA-N 447.516 5.298 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1sc(-c2ccccc2)nc1C 12901337 VUGZWNAKOOFDEO-UHFFFAOYSA-N 447.482 5.238 0 40 IKAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 12944885 FNDHWZVQRXEWMF-INIZCTEOSA-N 439.462 5.028 0 40 IKAB O=C(Cc1csc(-c2c(Cl)cccc2Cl)n1)Nc1ccccc1N1CCCCC1 13027588 CCWQTFCYGKGZER-UHFFFAOYSA-N 446.403 6.288 0 40 IKAB Cc1ccc(Nc2nc(N)nc(COc3cc(C(F)(F)F)cc(C(F)(F)F)c3)n2)cc1 13149826 DMAANSLKEGTOGH-UHFFFAOYSA-N 443.351 5.122 0 40 IKAB CCOC(=O)[C@@H]1CCCN(c2cc(-c3ccccc3)nc3cc(-c4ccc(C)cc4)nn23)C1 13562701 CMMVAYGKHXLYBL-JOCHJYFZSA-N 440.547 5.151 0 40 IKAB CC[C@@H](c1nnc(SCC(=O)c2cccc3ccccc23)n1Cc1ccccc1)N(C)C 14123337 GJHGQKFJLYAOBR-QHCPKHFHSA-N 444.604 5.467 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4Cl)cc3n2)c(C)c1 14272808 ZTNVQHPMNRCNKV-UHFFFAOYSA-N 447.970 5.789 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2C)cc1OC 15649452 HZVTZAXAWPAVNC-UHFFFAOYSA-N 443.135 5.180 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(Cl)cc3)Cc3ccco3)no2)cc1 15833087 YSAALTROKVXVCC-UHFFFAOYSA-N 436.895 5.829 0 40 IKAB CCCCOc1ccc(NC(=O)COc2ccc(Br)cc2)c2cccnc12 15841073 CBSQKQGFTIRMRQ-UHFFFAOYSA-N 429.314 5.194 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Br)c1O 15947463 GIFWDTAGWMIFMU-HUTHGQBESA-N 437.359 5.169 0 40 IKAB CCOC(=O)c1c(C)n(CCOc2cc(C(C)C)ccc2C)c2c1cc(O)c1ccccc12 16683027 CSAOPMZTRPACGR-UHFFFAOYSA-N 445.559 6.496 0 40 IKAB COc1cc(/C=C2/c3cc(Cl)ccc3-c3c(Cl)cc(Cl)cc32)cc(OC)c1OC 16954087 ZEFZMLJHXNCGGO-SOFYXZRVSA-N 447.745 7.242 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)c(C)c1 17098247 VGNQCHLUJOQSNH-UHFFFAOYSA-N 432.932 7.232 0 40 IKAB CCCCn1c(SCc2nc(-c3ccccc3OC)oc2C)nc2ccccc2c1=O 17271556 JRDBFCGASJVCTH-UHFFFAOYSA-N 435.549 5.461 0 40 IKAB COc1cccc(-c2nnc(SCc3cc(-c4ccco4)on3)n2Cc2ccco2)c1 19315563 HDLKAUSSFJOKMX-UHFFFAOYSA-N 434.477 5.135 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc3c(Cl)cccc23)cc1 19642395 XUGIQCUFWGLFIZ-UHFFFAOYSA-N 444.918 5.912 0 40 IKAB COc1ccc(CN2CCN(Cc3ccccc3Cl)CC2)cc1OCc1ccccc1 19889512 NTMIDSFQGWHLQP-UHFFFAOYSA-N 436.983 5.245 0 40 IKAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(C)cc3C)C2)cc1OC 19974145 XQDCFCPTLPHPNP-UHFFFAOYSA-N 429.564 5.047 0 40 IKAB Cc1c(NC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(=O)n(-c2ccccc2)n1C 21196080 XWGYGZAWQVTTHS-UHFFFAOYSA-N 441.409 5.016 0 40 IKAB Cc1ccc(N(C(=O)CCn2c(=O)n(C)c3ccccc32)c2nc3ccccc3s2)cc1 21446087 YGZCCPBXPSQGOS-UHFFFAOYSA-N 442.544 5.013 0 40 IKAB Cc1cn2c(=O)cc(CSc3ccccc3NC(=O)c3cccc(Cl)c3)nc2s1 21535976 AZWKBSPBOLBNHC-UHFFFAOYSA-N 441.965 5.262 0 40 IKAB Cc1ccccc1-c1ccc(N2CCC(C(=O)N3c4ccc(F)cc4CC[C@H]3C)CC2)nn1 22493857 ZAHHDBCPDGKSDJ-LJQANCHMSA-N 444.554 5.175 0 40 IKAB CCN1CCC[C@H]1CNCc1ccc(OCc2ccc(Cl)cc2)c(Br)c1 22936843 BANBPNNLXARKHO-IBGZPJMESA-N 437.809 5.255 0 40 IKAB Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3cc(C)ccc3C)n3c2nc2ccccc23)cc1 23382110 SJSAZYULEUWZMW-XMMPIXPASA-N 438.531 5.078 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)Nc1cccc2ccccc12 27525763 BRINSHDINAUHDV-UHFFFAOYSA-N 448.551 6.090 0 40 IKAB CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cccc(C)c3)c2=S)cc1 27526920 JJZBMZIMQZAXIF-UHFFFAOYSA-N 444.560 5.416 0 40 IKAB Cc1nn2c(N3CCN(c4ccccc4)CC3)cc(-c3ccccc3)nc2c1-c1ccccc1 27585052 WZBRJKACPTUKGS-UHFFFAOYSA-N 445.570 5.698 0 40 IKAB Clc1ccc(-c2c3c4n(c(-c5ccccc5)nn4c2CN2CCOCC2)CCCC3)cc1 27752615 JTNUNIRXXHWMOC-UHFFFAOYSA-N 446.982 5.292 0 40 IKAB CCCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccncc1 35289003 GWYWGXSDCDRPBG-UHFFFAOYSA-N 429.549 5.207 0 40 IKAB COc1ccc(CNc2oc(-c3ccccc3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 39844510 PFWIXRMOTOGMBO-UHFFFAOYSA-N 434.517 5.104 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1NC(=O)c1ccccc1C(F)(F)F 44224984 WKSJLEBUPALROP-UHFFFAOYSA-N 448.828 5.629 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1 44849017 UAYUPTXZTKPTFC-UHFFFAOYSA-N 440.590 5.469 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1 44883756 UOIOLBISKMCNCV-MHZLTWQESA-N 442.603 6.165 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44949475 IXJKBWRMOFLEOJ-SFHVURJKSA-N 448.868 6.567 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2CCc2cccs2)c1 57473474 BZTYGHMLELPTAQ-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 77177479 VIMHSMMICINXDD-MRXNPFEDSA-N 434.496 5.019 0 40 IKAB O[C@@H](CN(Cc1ccccc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)c1ccco1 79053382 WZFZVNKSABYYQY-IBGZPJMESA-N 443.425 5.084 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1ccn(-c2ccc3ccc(-c4ccc(F)cc4)cn23)n1 96038144 MHHIOTLOIPEYFT-UHFFFAOYSA-N 432.405 5.462 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@H]1c1cccc(F)c1 101433470 VJHKNBKSARUQMQ-LYZGTLIUSA-N 440.518 6.704 0 40 IKAB CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 102674638 PLFDGEWUSRERIU-TVCBXBRYSA-N 447.534 5.509 0 40 IKAB COc1ccc([C@@H]2N[C@@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 102710820 BTUTYNXWDXRDAN-FYSOTKFNSA-N 431.576 5.335 0 40 IKAB COc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl 107031405 PEPUZESREHOFRK-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCS[C@H](c2ccccc2Cl)CC1 206995032 KEKQUBHFGUEPMH-NRFANRHFSA-N 429.948 5.200 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222713403 JZHGKRDGGUXIIN-MRXNPFEDSA-N 449.422 5.387 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 222907587 JWPYIFHPCXPCMY-INIZCTEOSA-N 435.395 5.258 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCc1ccc(Cl)cc1 223054427 BJJKUUCYNYDMFF-VWLOTQADSA-N 448.994 5.396 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCCOc1ccc(C)cc1 223060709 UDGAHDPPSJFENL-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cc(C)cc(C)c1C 223736184 BGVPQMWUIVDGPU-XMMPIXPASA-N 438.612 5.023 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 224276951 FBQGPXQABVHGGZ-LJQANCHMSA-N 445.003 5.032 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224471930 DKKGMCBGGDXKBP-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1 224533468 JGQVDJOAZGYDNX-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1cccc2ccccc12 224633242 CHVFPODJSMTXRP-UHFFFAOYSA-N 443.568 6.792 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccco3)cc2)cc1 224691974 PKZVTTLAGURIHS-RPWUZVMVSA-N 427.529 5.952 0 40 IKAB COc1ccc(OC)c(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)c1 224855260 PTMUXHOKGHTBQG-BJKOFHAPSA-N 448.592 5.193 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225205161 UYTPTUYKDFRKEB-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB O=C(Nc1ccccc1Br)C1CCN(Cc2ccc(Cl)cc2F)CC1 225575630 FDIREVIKHODBFJ-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C 225658538 GUXJNYXLOIOUHA-LJQANCHMSA-N 447.044 5.071 0 40 IKAB CCOc1ccc([C@@H](C)NC(=O)[C@H](CC)Oc2ccc3c(c2)CCCC3)cc1OCC 225869138 HFSVUBLZHWPFMZ-JPYJTQIMSA-N 425.569 5.398 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccoc3C)c1)O[C@@H]1CCCC[C@@H]21 245226249 MAXLXFSSOLYCRP-YPCDYVTLSA-N 447.531 6.003 0 40 IKAB Cc1ccc(CC(=O)N2CC[C@H](c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C(C)(C)C)N4)C2)cc1 248153701 CKRQYAJBMKDSML-YSIASYRMSA-N 448.533 5.084 0 40 IKAB Cc1ccc(N[C@H](NC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)C(Cl)(Cl)Cl)c(C)c1 252695309 YAWXGPAFXBXPKZ-IAAVTCLWSA-N 449.850 6.599 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC=C3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@H]2[C@H](C)/C=C\[C@H](C)C(C)C)C1 263603208 NGEVNHYPVVOXPB-PPFCGWADSA-N 438.696 7.902 0 40 IKAB Cc1cc(C)cc(N2C(=O)[C@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408659226 OWSIPKOUQNSWCL-URFUVCHWSA-N 448.349 5.401 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cc(C)ccc3C)n2)cc1 408696278 ZELZEXSZGJCXCO-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(F)cc2)cc1Cl 408699178 VGJYWACYMVPPTE-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)c1 408700199 ZLHDSQTXAYKEHT-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccnc3)cc2-c2ccc(-c3ccccc3)cc2)c1 408726721 SXWLPVZEZGCNMZ-UHFFFAOYSA-N 430.511 6.162 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)c(Br)cc1OC 408820605 XFGVKSIKNRKURE-YVLHZVERSA-N 434.311 5.097 0 40 IKAB Clc1ccc(OCCCc2nnc(SCc3cccc4ccccc34)o2)c(Cl)c1 409012852 IXDIKYOXBQEGPH-UHFFFAOYSA-N 445.371 6.834 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1 409082975 UMWDVLJHAQFFNW-JLPGSUDCSA-N 429.491 6.047 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(F)c3C)n2C)c1 409156917 HHMSMGSOPPNZRM-UHFFFAOYSA-N 442.560 5.004 0 40 IKAB COc1ccc(CNC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)cc1 409173948 PYNZYWXDZJCBSI-GOZGONJHSA-N 438.571 5.922 0 40 IKAB CC(C)(C)c1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc(C(C)(C)C)c1O 409194986 OCLWSIKSWHWFGH-CPNJWEJPSA-N 443.996 6.882 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2ccc(Cl)cc2)cc1C 409210164 FHMKKPKXPRLZIX-UHFFFAOYSA-N 441.000 5.309 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 409410971 BOIJCUFQYQUIKX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc([C@H](NC(=O)N(CC2CC2)C[C@@H]2CCCN3CCCC[C@H]23)C(C)C)cc1 604404108 JNOSKHWMPVDLKQ-ICDZXHCJSA-N 427.633 5.078 0 40 IKAB biogenic Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)N[C@H](C)c3ncc(-c4ccccc4)o3)c12 606871129 BPKSLEQZJFOTAK-QGZVFWFLSA-N 437.503 5.090 0 40 IKAB COc1cccc(C(=O)N2CCCCCCN(Cc3ccccc3F)Cc3ccccc32)c1 643562975 BAIOXGVDYCUWFE-UHFFFAOYSA-N 446.566 6.057 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1)c1ccc(Br)cc1 721126 WYHWCIDWQLKPAH-UHFFFAOYSA-N 435.321 5.294 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)cc1Cl 849870 GYRKUJHKZHOELD-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)c1 993368 MMMAVXWKEDXFQL-UHFFFAOYSA-N 438.936 6.195 0 40 IKAB Cc1ccccc1CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)Nc1ccc(F)cc1 1378231 GXHRKAZDVYGTJY-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB O=C(Nc1ccc(Cl)cc1)N(Cc1ccc(Cl)cc1)c1nnc2n1CCCCC2 1468088 JMGUQRVUKAEBDC-UHFFFAOYSA-N 430.339 5.550 0 40 IKAB CCN(C(=O)c1ccc2c3c(ccc(C(=O)N(CC)c4ccccc4)c13)CC2)c1ccccc1 1702016 VNKFJQKYBTWADM-UHFFFAOYSA-N 448.566 6.272 0 40 IKAB CCOc1ccccc1N(C(=O)C1CCCCC1)c1nc(-c2ccc(C)cc2)c(CC)s1 2170859 BAOFYIOCEYVJLB-UHFFFAOYSA-N 448.632 7.325 0 40 IKAB CCCCCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@H](C)CC4 2292462 OHDCCNSZVWQWML-OAHLLOKOSA-N 438.622 5.502 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nc3c4c5c(sc4ncn3n2)C[C@H](C(C)(C)C)CC5)c1 2402308 OMLOYOOBNNKRIT-QGZVFWFLSA-N 448.636 6.501 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(N4CCCCCC4)ncnc32)cc1 2715057 AMPJVUICWINWDE-UHFFFAOYSA-N 447.380 6.230 0 40 IKAB CCCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCCCC2 2740660 JTHBIGPIJAUMNX-UHFFFAOYSA-N 448.009 6.704 0 40 IKAB CCOc1ccc2nc(SCC(=O)N(C3CCCCC3)C3CCCCC3)sc2c1 2777106 KGZUPCAICIUNHJ-UHFFFAOYSA-N 432.655 6.281 0 40 IKAB CCN(CC)c1ccc2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c(=O)oc2c1 2951604 QHPBXZHVPHGJEE-UHFFFAOYSA-N 428.488 5.684 0 40 IKAB biogenic COc1cccc(OC)c1C(=O)N(c1ccccc1)C1CCN(Cc2ccccc2)CC1 3236253 KFBUNZJSPRKXJX-UHFFFAOYSA-N 430.548 5.015 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1ncnc2ccccc12 3256361 QPPXSKIOXWOQTG-UHFFFAOYSA-N 449.557 5.266 0 40 IKAB Cc1cc(-c2csc(NC3CCCC3)n2)c(C)n1-c1c(C)n(C)n(-c2ccccc2)c1=O 3346870 ALKINYACOHKFNG-UHFFFAOYSA-N 447.608 5.370 0 40 IKAB O=C(c1ccc(F)cc1)N1C[C@@H]2C[C@H](C1)c1c(-c3cc4ccccc4s3)ccc(=O)n1C2 4237407 XDLKDMVVPRVDPE-QFBILLFUSA-N 444.531 5.129 0 40 IKAB biogenic,in-vitro C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)C(=O)N[C@H](C)c1ccc(F)cc1 8751233 WXRRCJCCFHBSIF-HZPDHXFCSA-N 439.556 5.009 0 40 IKAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)c(C)c1 8875944 HCLHWFBGJQYPBO-UHFFFAOYSA-N 447.589 5.318 0 40 IKAB O=C(Nc1ccccc1C(=O)Nc1nnc(-c2ccccc2)s1)c1cc2ccccc2o1 9062196 YLFIBRMYAFIYBT-UHFFFAOYSA-N 440.484 5.456 0 40 IKAB CSc1nnc(CCCNC(=O)c2ccc(-c3ccc(F)cc3)s2)n1C1CCCC1 9076895 NLYCFAGSSRXVGK-UHFFFAOYSA-N 444.601 5.345 0 40 IKAB Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccc(F)cc3)c1C2 9116356 ONUKFYSUSGOPDZ-UHFFFAOYSA-N 445.519 5.467 0 40 IKAB Cc1ccc(NC(=S)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1 9126992 LKKNJIPOFMDVLR-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB Clc1ccc([C@H]2C[C@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9292693 BJYTZTREKYKEEF-TZIWHRDSSA-N 438.756 6.599 0 40 IKAB COc1ccc(OCCOc2ccc(C)c(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 9553831 BTCQVRMECMEKGA-JJIBRWJFSA-N 443.499 5.114 0 40 IKAB Cc1ccc(C2=NC3(CCCCCC3)N=C2SCC(=O)Nc2ccc(C)c(C)c2)cc1 9599297 DEWNPZPYQJJREP-UHFFFAOYSA-N 433.621 6.235 0 40 IKAB Cc1ccc2ncc3c(-c4ccc(Br)cc4)nn(-c4ccccc4Cl)c3c2c1 9676121 GVEBYLVNLIKXEA-UHFFFAOYSA-N 448.751 6.965 0 40 IKAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnc(C2CC2)n1-c1ccccc1 9847531 BRLYTSFTAHUQBW-HNNXBMFYSA-N 449.605 5.066 0 40 IKAB COc1ccc(CN2CCC(N(CCc3ccccc3)Cc3ccccc3)CC2)c(OC)c1 9933468 IOMRUVGLZCUFRT-UHFFFAOYSA-N 444.619 5.413 0 40 IKAB COc1ccccc1CCNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3cc2oc1=O 11867431 BELSYERNTJHAOS-UHFFFAOYSA-N 447.531 5.055 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CCCCC2)cc1 12493841 GYQZBQIUSZUJED-UHFFFAOYSA-N 435.011 6.923 0 40 IKAB Fc1ccc(-c2nc3ccccc3n2-c2cc(-c3ccccc3)nn2-c2ccccc2)cc1 12573142 WYOCTFYQYJDQMI-UHFFFAOYSA-N 430.486 6.684 0 40 IKAB CCN(C(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)C1CCCCC1 12604140 ZLXPRMQGAVZBAK-UHFFFAOYSA-N 446.012 5.970 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(CC(=O)Nc1c(C)cccc1C)Cc1ccccc1F 12782431 ODEAVRKZNYKPNR-UHFFFAOYSA-N 447.554 5.139 0 40 IKAB COc1cccc(-c2nc(C(=O)NCc3ccc(-c4ccc(F)cc4)o3)cs2)c1OC 12902463 DVWAGOCZLWRPQU-UHFFFAOYSA-N 438.480 5.156 0 40 IKAB COc1ccc(-c2nnc(SCc3cc(Cl)cc4c3OCOC4)n2C(C)C)cc1 13098052 PDYJRSLDSNMDRL-UHFFFAOYSA-N 431.945 5.347 0 40 IKAB COc1ccc(CNCC[C@H](c2ccc(F)cc2)c2ccc(OC(C)C)cc2)cc1OC 13139874 JSDVJMOIUAOCKP-RUZDIDTESA-N 437.555 5.942 0 40 IKAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1-c1ccc(Oc2ccccc2)cc1 13547263 CSPHYXBNFSBIQN-UHFFFAOYSA-N 447.585 5.615 0 40 IKAB CCc1cccc2cc3c(N)c(C(=O)Nc4ccccc4N4CCCCC4)sc3nc12 13564163 LBMGUXGTAHXCTR-UHFFFAOYSA-N 430.577 5.837 0 40 IKAB O=C(Nc1ccccc1C(=O)NCc1ccco1)c1cccc(OCc2ccccc2)c1 13684632 YWUSQWZLGZZEQX-UHFFFAOYSA-N 426.472 5.041 0 40 IKAB Cc1ccc(-c2nn(Cc3ccccc3F)c(-c3ccc(C)cc3)c2Br)cc1 13960593 FOQXMYIELDAODX-UHFFFAOYSA-N 435.340 6.784 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)c(Cl)c1 14270718 ULQUQMXHDAUQBT-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1nc(-c2ccccn2)sc1C(=O)OCc1csc(COc2ccc(F)cc2)n1 14807398 LQPBQMXXWKESPY-UHFFFAOYSA-N 441.509 5.045 0 40 IKAB Cc1ccc(/N=c2/scc(-c3ccc(-c4ccccc4)cc3)n2-c2ccc(C)cc2)cc1 14920023 SVEHASWJWDAMKP-QVIHXGFCSA-N 432.592 7.722 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 15412501 MJYSTJJFANSMEZ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccc(F)cc1 16688521 BXTLIFHEMIDFMG-UHFFFAOYSA-N 431.910 5.928 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cccc(F)c1 16841162 ROAQALVWZRWZLI-UHFFFAOYSA-N 428.492 5.419 0 40 IKAB Cc1ccc(-c2cc3ccccc3oc2=O)cc1NC(=S)NC(=O)c1cccc(F)c1 17097919 UGDNGVGDXKZCLR-UHFFFAOYSA-N 432.476 5.034 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(Cc4ccccc4)CC3)c3ccccc3n2)cc1C 17099663 YEOWOZUMXQNNED-UHFFFAOYSA-N 435.571 5.477 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1 17101015 GOBGZSFNYNRYIN-UHFFFAOYSA-N 437.008 7.162 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(C(F)(F)F)cc3Cl)o2)cc1Cl 19631048 VLDNBUPSDYCEBZ-RMKNXTFCSA-N 440.248 7.233 0 40 IKAB O=C(CC[C@@H]1CCCO1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19687369 ZVECGSJWWMRNOQ-QFIPXVFZSA-N 446.513 5.356 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2Cl)N2CCOCC2)c1C 19880268 KICZSTPUBXANLG-JOCHJYFZSA-N 440.996 5.692 0 40 IKAB O=C(Nc1cc(-c2ccc(CO)o2)ccc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 20139892 TYFHMUNIXNAUCF-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccc(C)cc3)/c(=N/c3ccc(C)cc3C)oc12 20285577 FGWMVLZLMWKFRU-QPLCGJKRSA-N 433.529 5.432 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)[C@H](c1ccccc1)C1CCCC1 20509308 PWYSTSSRABAUCN-XMMPIXPASA-N 430.935 7.061 0 40 IKAB CCCN(CC1CC1)C(=O)CSc1nnc(-c2ccccc2OC)n1C1CCCCC1 24464825 DQLKSHHARMVXKB-UHFFFAOYSA-N 442.629 5.200 0 40 IKAB Fc1ccc(COc2nc3ccccc3nc2/C=C\c2ccc(Cl)cc2Cl)cc1 24522873 AOZCACWWBNFZOQ-WQLSENKSSA-N 425.290 6.825 0 40 IKAB Cc1c(C)n(C[C@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c2c(Cl)cccc12 28296780 LKVFBHVBXPKFGI-NRFANRHFSA-N 443.978 5.913 0 40 IKAB COc1ccc2c(-c3cccnc3)cc(SCC(=O)Nc3ccc(C(C)=O)cc3)nc2c1 32910430 MQAPBHYVPLTOBH-UHFFFAOYSA-N 443.528 5.239 0 40 IKAB CCC(CC)C(=O)Nc1ccc2nc(SCC(=O)Nc3ccc(F)cc3)sc2c1 33000580 MTACIEUQXUMXBC-UHFFFAOYSA-N 431.558 5.541 0 40 IKAB COc1cc(CNc2cccc(Cl)c2C)ccc1OCC(=O)Nc1cc(C)ccc1C 34881181 WMXLCSQJEWYWOF-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCCCc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)cc1 35042893 BUUCRQMEIVNDOR-JCMHNJIXSA-N 436.964 7.025 0 40 IKAB CCn1nc(C)c2c(C(=O)Nc3ccc(Br)cc3)cc(-c3ccc(C)cc3)nc21 36613296 YWPANCSGUHPJOT-UHFFFAOYSA-N 449.352 5.750 0 40 IKAB CCc1ccccc1NC(=O)C[C@@H]1C(=O)N(Cc2ccc(C)cc2)c2nc3ccccc3n21 39964000 YLHSKGQWJLPHHJ-XMMPIXPASA-N 438.531 5.024 0 40 IKAB Cc1ccc(C(=O)N2C(=S)C(c3ccc(C(C)(C)C)cc3)=NC23CCCCC3)cc1C 45933074 TZZGGOKBHUIBMC-UHFFFAOYSA-N 432.633 6.534 0 40 IKAB S=C(NCCc1ccccc1)NNc1cc(-c2ccccc2)c2cc(Cl)ccc2n1 58324574 KKFBSMTZWKVZLX-UHFFFAOYSA-N 432.980 5.589 0 40 IKAB O=C(Nc1nnc(SCc2ccccc2Cl)s1)Nc1cccc2ccccc12 59461519 ICKFWIWGVAIGFX-UHFFFAOYSA-N 426.954 6.281 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5ccc(C)cc5)n4ccn3n2)cc1 67260670 NXQHFQPMVIMVCC-UHFFFAOYSA-N 443.576 5.824 0 40 IKAB CCC(CC)c1cc(C(=O)N2CCc3cc(OC)c(OC)cc3[C@H]2c2cccs2)on1 72295254 QXMDTBJWOXBNJS-QHCPKHFHSA-N 440.565 5.445 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 72372647 PZUAIFZWNKRODE-XMMPIXPASA-N 443.526 5.445 0 40 IKAB COc1cc2nc(/C(Cl)=C/c3cnc(C4CCCCC4)s3)nc(O)c2cc1OC 79055646 CFOQCDFCMANUNR-NVNXTCNLSA-N 431.945 5.594 0 40 IKAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N[C@@H]1c2ccccc2CC[C@@H]1n1ccnc1 79110603 HWDARVXSCHCIEF-PZJWPPBQSA-N 449.461 5.083 0 40 IKAB O=C1Nc2ccc(Cl)cc2[C@]12C=C(c1ccc(F)cc1)Nc1cc(Cl)ccc1S2 101494009 LBKJOPAQNVIGJN-JOCHJYFZSA-N 443.330 6.539 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c1 102640725 FRBDFGGZBPEKEX-KCOOYEKVSA-N 428.576 6.244 0 40 IKAB O=C(Oc1ccc(Cc2ccccc2)cc1)c1ccc(N2C(=O)[C@@H]3CCCC[C@H]3C2=O)cc1 102643722 PZAQEQGFNKOLDD-JWQCQUIFSA-N 439.511 5.176 0 40 IKAB COc1ccc(CN2C(=O)/C(=C\Nc3cccc4c3CCCC4)c3ccccc3C2=O)cc1 105008926 MPHXGXAPPPKYQT-UQQQWYQISA-N 438.527 5.210 0 40 IKAB O=C1S/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1Cc1ccccc1 212033100 HDLLSISBYVWXKK-XDHOZWIPSA-N 429.419 6.202 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)N[C@H](CC(C)C)c1ccccc1 219163197 DHEUTTJJYQUDQB-HSZRJFAPSA-N 448.588 5.074 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N(C)Cc1nc(-c2ccccc2Cl)no1 219344038 JYLKZXFSKKYQEA-FQEVSTJZSA-N 435.911 5.359 0 40 IKAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)CC2)cc1 219860066 GMIIEJBHFCPZDA-UHFFFAOYSA-N 428.620 6.318 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 222414237 DQLGIJKDFKRCJS-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 222813297 ZQWLAPTYXSFWKT-GOSISDBHSA-N 447.044 5.295 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1-c1nccs1 223373421 VLHDJCHLDVAPIK-FCHUYYIVSA-N 445.617 5.118 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(N(C)C)cc2)c(C)n1C(C)C 223892550 WQBWKDLKFJONJH-ZEQRLZLVSA-N 433.625 5.324 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224050212 DCAAZMXZZUEBNI-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CCCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224614382 SLPUVZDSPJYPDF-NRFANRHFSA-N 449.422 5.648 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(Cl)cc1 225528074 TVWPKEBYEMCUSL-PGRDOPGGSA-N 447.044 5.463 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)s2)cc1 225848506 KQLBVLXJAKMOKJ-GOSISDBHSA-N 426.973 5.018 0 40 IKAB CCc1cc(Br)cc(C)c1NC(=O)c1cn2c3c(cccc3c1=O)C[C@H]2C 226093835 XHICSJGNYXWEJA-CYBMUJFWSA-N 425.326 5.004 0 40 IKAB COC(=O)c1ccc(-c2cc(C(F)(F)F)c(Br)cc2Br)o1 226359402 UTNXHXVNDNIVDY-UHFFFAOYSA-N 427.998 5.277 0 40 IKAB O=C(CN1CCC[C@@H]1Cc1c(C(=O)O)sc2ccccc12)Nc1ccc2c(c1)CCCC2 257221350 DORDDTXETDWAQA-HXUWFJFHSA-N 448.588 5.124 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 257310123 UDTSRYPUAVCRDG-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB CCn1c(-c2ccc(C)c(C)c2)c(C)s/c1=N\C(=O)c1cccc(Br)c1 408560961 GDOFSAACCMGSIZ-LNVKXUELSA-N 429.383 5.665 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cccc(Cl)c3C)c3ccccc3n2)cc1 408648765 ZJFMPSFYMDEMIH-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccccc3)nc2-c2cccc(Cl)c2)cc1C 408697293 INYATGSEDIONFL-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(Cl)cc2)c1 408699436 UGAKTSAQLMMELX-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccc(C)cc2)cc1 408724073 DQIGPAZLQCIWBG-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB CCCCCC1=NN(C(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 408949111 DTDUYOHGDGBECP-APPDUMDISA-N 441.277 5.180 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)ccc1OCc1cccc(F)c1 409017770 VUNATUKUEHHFOA-NWGMWSOJSA-N 429.513 5.638 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Br)cc(Br)c2OC)c2ccccc21 409111159 BZQMSOMZMDEQKG-ZROIWOOFSA-N 437.131 5.127 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2ccccc2C(C)C)S(=O)(=O)c2ccccc2)c1 409135334 ULVUNTXFZBNNBI-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB Cc1cccc(-c2ccc(OC(=O)c3ccc(Cn4nnc5ccccc54)cc3)c(C)c2)c1 409176474 OJNSNCCMOLHYEP-UHFFFAOYSA-N 433.511 5.983 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(OCC)cc1 409201167 KDBPKRVHZJBSTQ-UHFFFAOYSA-N 438.597 5.074 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C2=O)c1 409226255 MHUXOVIYZWAOOF-ODLFYWEKSA-N 427.287 5.655 0 40 IKAB CCOC(=O)COc1ccccc1[C@H]1Nc2ccccc2C(=O)N1c1cccc(Cl)c1 679670 HRWZSCUTQLQDGV-QHCPKHFHSA-N 436.895 5.053 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1ccc(Cl)cc1 719620 AFRWYQLKMAAKAV-UHFFFAOYSA-N 435.954 5.877 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3c4ccccc4CCc4ccccc43)o2)cc1 928203 CGTTVRPVUWLDAU-UHFFFAOYSA-N 443.528 5.301 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(Br)ccc1Cl 989623 IJPZTLHILGYTQH-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2cccc(Cl)c2)c1C 1298140 ABYJHUBDCZKCBT-NRFANRHFSA-N 437.952 6.460 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccnc2)c(C)c1 1379966 TYBRTTBVHPXMKV-DEOSSOPVSA-N 431.536 5.047 0 40 IKAB C(=C(Sc1ccccc1)Sc1ccccc1)[C@@H](Sc1ccccc1)c1ccccc1 1569316 MRGBBEYTMXDJGP-AREMUKBSSA-N 442.674 8.946 0 40 IKAB Cc1cc(C)c(C(=O)Oc2ccc3c(=O)c(Oc4ccccc4Cl)coc3c2)c(C)c1 1775143 HEOZSLWVOZPUMD-UHFFFAOYSA-N 434.875 6.383 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)/C(Br)=C/c4ccccc4)cc3)sc2c1 1809234 JPSUTRGKMVBKIZ-RGEXLXHISA-N 449.373 6.646 0 40 IKAB COc1ccc(-c2c/c(=N\c3ccc(OCc4ccccc4)cc3)c3cc(C)ccc3o2)cc1 1912096 MQVZLSMAPCKYGP-CCFHIKDMSA-N 447.534 7.228 0 40 IKAB CCc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 2079478 GPXDIUZCJXCJSK-FQEVSTJZSA-N 437.539 6.509 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(-c2ccc(Cl)s2)nc2ccccc12 2086048 QGQIHGFLEVJDPK-UHFFFAOYSA-N 432.854 6.888 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1F)N(C(C)=O)c1ccccc1-2 2094954 LOTDTZIXEYTCTC-JOCHJYFZSA-N 438.528 5.404 0 40 IKAB Oc1cc2ccccc2cc1-c1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1 2223836 SICCRGXZFRJCPH-UHFFFAOYSA-N 447.285 5.296 0 40 IKAB Cc1ccc([C@H](NC(=O)CCCCCN2C(=O)c3ccccc3C2=O)c2ccccc2)cc1 2315676 IRVFILTVJFSHPH-AREMUKBSSA-N 440.543 5.057 0 40 IKAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccccc3F)n2Cc2ccccc2)cc1 2652100 UUZMHHBDGMQGPO-SFHVURJKSA-N 431.536 5.804 0 40 IKAB CCCCCC1CCC(C(=O)Nc2nnc(-c3ccccc3Br)s2)CC1 3208352 KJEFVRUFCVQBQV-UHFFFAOYSA-N 436.419 6.293 0 40 IKAB O=C(Cc1cccs1)N(Cc1cccs1)C1(C(=O)NC2CCCC2)CCCCC1 3625986 IAPHFUHZLDSDOL-UHFFFAOYSA-N 430.639 5.143 0 40 IKAB Cc1ccccc1-n1c(SC(C)C)nc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 4438669 DYQPOYYKSDGXFL-INIZCTEOSA-N 426.651 6.407 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)c1 8752412 QRJKVLSJKHCJBX-LJQANCHMSA-N 445.950 5.598 0 40 IKAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(Cc3ccccc3)C2)nc2ccccc21 8753307 LIIJEFLHZSOYDQ-QHCPKHFHSA-N 439.559 5.330 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)(C)Oc3ccc(Cl)cc3)n2)cc1 8824962 IUJHKGXVWIPSPU-UHFFFAOYSA-N 429.929 5.218 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1Cc1ccccc1 8828304 GCNBISXIMSBSPE-FQEVSTJZSA-N 445.950 5.285 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 8831115 UMMZROSRPHALFE-UHFFFAOYSA-N 447.585 5.619 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@@](O)(CC(=O)c3cccc4ccccc34)c3ccccc32)c1 8927853 OKFYJVXEHXIOSJ-GDLZYMKVSA-N 435.523 5.464 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccc(Cl)cc1 8989975 FMOSHKWMZZHYAP-VEYUFSJPSA-N 441.958 5.621 0 40 IKAB COc1cc(C(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc(OC)c1OC 9010431 XLJKJGNUAHXXRC-UHFFFAOYSA-N 432.476 5.390 0 40 IKAB O=C(Cn1c(SCc2ccccc2)nc2ccccc21)Nc1ccccc1C(F)(F)F 9224076 WRBSLOOTAQIYCI-UHFFFAOYSA-N 441.478 5.986 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc3c(c(-c4ccccc4Cl)c12)CCC3 9271773 AKWWNCWMIWSCHS-UHFFFAOYSA-N 437.927 6.079 0 40 IKAB O=C(Cc1cccc2ccccc12)N(Cc1cccnc1)c1nc2c(F)cc(F)cc2s1 9274340 ZGRSFPVASUGAQJ-UHFFFAOYSA-N 445.494 5.899 0 40 IKAB Cc1c(Cl)cnc(NC(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1Cl 9515873 GFNNTLRHGQIVOK-UHFFFAOYSA-N 447.269 5.390 0 40 IKAB Cc1cc(C)c2nc(N(Cc3ccccc3)C(=O)[C@H]3COc4ccccc4O3)sc2c1 9525637 HUFCBXYESACUQN-OAQYLSRUSA-N 430.529 5.286 0 40 IKAB C[C@@H](Oc1ccccc1C(=O)Nc1ccccc1)C(=O)Nc1ccccc1-c1ccccc1 9578401 NOXTTYUUUAYSDK-HXUWFJFHSA-N 436.511 6.012 0 40 IKAB Cc1ccc(O[C@H](C)C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1C 9591697 AVSZWLUGRCHZCB-QGZVFWFLSA-N 431.463 5.826 0 40 IKAB Cc1cc(SCC(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc2c(C)cccc12 9727101 AVBVQDLGEUYMSJ-FQEVSTJZSA-N 434.561 5.079 0 40 IKAB C[C@H]1CN(C(=O)Cn2cc(SCc3cccc4ccccc34)c3ccccc32)C[C@H](C)O1 10459079 HAGBIXZOMRJGGB-PMACEKPBSA-N 444.600 5.723 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1 12062500 VKBMZWYNOBWDPX-RUZDIDTESA-N 439.511 5.288 0 40 IKAB COC(=O)c1ccc(CSc2nnc(Nc3ccccc3C(F)(F)F)s2)cc1 12632185 ZECYSFPTRUDRDR-UHFFFAOYSA-N 425.457 5.379 0 40 IKAB O=C(Nc1ccc(Oc2ncnc3sccc23)cc1)c1ccccc1Br 12795097 QJOPHMWXMKRLGD-UHFFFAOYSA-N 426.295 5.498 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(F)cc3Cl)C2)c2ccccc12 12997198 PMOKYLKVUGRNAP-OAHLLOKOSA-N 440.902 5.132 0 40 IKAB O=C(COc1ccc(Br)cc1F)Nc1ccc(Br)cc1Cl 13112409 XEQHSCKMPIWZDD-UHFFFAOYSA-N 437.490 5.022 0 40 IKAB COc1cccc(CNC(=O)N(C)Cc2ccc(-c3ccc(Br)cc3)o2)c1 13115211 JKBKLJNNKBECEJ-UHFFFAOYSA-N 429.314 5.059 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3ccccc3)C(=O)Nc3ccccc3)cc2c1 13513894 LTWXLXKOSFDNLJ-UHFFFAOYSA-N 429.951 6.739 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc2C)c1 13670240 ZGCOERUNHVLMSY-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1Cl 14272137 COWRUGSAGIKJHE-UHFFFAOYSA-N 447.705 6.716 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)s2)cc1 14944646 OUHBFMSECIOPGT-UHFFFAOYSA-N 440.377 5.463 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1cc2ccccc2o1 15018949 YHJXQPVTLLJRRL-UHFFFAOYSA-N 442.928 5.104 0 40 IKAB CC(=O)N(c1cccc(C(F)(F)F)c1)c1nc(/C=C/c2nc3ccccc3s2)cs1 15188332 CFODXHQZUZDOLO-MDZDMXLPSA-N 445.491 6.627 0 40 IKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1oc2ccccc2c1CSC1CCCCC1 15982418 JNMBOIPAMVSKAX-UHFFFAOYSA-N 437.649 6.945 0 40 IKAB CCCCN(CCCC)C(=O)/C(=C\c1ccc(OC)cc1)NC(=O)c1ccccc1Cl 16157992 OEPWISCDVHZZAH-PTGBLXJZSA-N 442.987 5.548 0 40 IKAB Cc1ccc(C(=O)Sc2nc(-c3ccc(Cl)cc3)sc2Nc2ccccc2)cc1 16292084 YUBRFDBRLFHZGA-UHFFFAOYSA-N 436.989 7.448 0 40 IKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)cc(Cl)c1OCc1ccccc1 16688634 ZSOMDCRUTMNYGR-UHFFFAOYSA-N 434.967 6.131 0 40 IKAB O=C(OCc1cc(-c2cccs2)on1)C1CCN(C(=O)c2cccc3ccccc23)CC1 16922572 XZDDMBOHOIUVFC-UHFFFAOYSA-N 446.528 5.152 0 40 IKAB CCc1cccc(C)c1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(C)c(Cl)c2)o1 17102906 QRLHCWSDGYGVJQ-ACCUITESSA-N 438.980 6.306 0 40 IKAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2ccc(C)c(Cl)c2)cc1 17120502 LGCCMUSXRZBWKE-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc(Nc2ccccc2)cc(-c2cccnc2)n1 19373041 FYIGPDCGMFKXNI-QHCPKHFHSA-N 436.519 5.045 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 20453504 CUCFMCGUOSZNHP-RTWAWAEBSA-N 430.548 5.509 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 22529183 LBHFKJGABQGOPS-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB CCSc1nc2n(n1)[C@H](c1ccc(CC)cc1)C(C(=O)Nc1ccccc1C)=C(C)N2 23118787 PCLQZXKRNNKGEO-OAQYLSRUSA-N 433.581 5.189 0 40 IKAB CCOc1cc(/C=C2\N=C3CCCCCN3C2=O)ccc1OC(=O)c1ccc(Cl)cc1 27525376 PXPVATSPRYISHU-RGEXLXHISA-N 438.911 5.114 0 40 IKAB CC[C@H](CNC(=O)[C@@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 32736583 GPQZWIPBQXEOOR-HZPDHXFCSA-N 442.610 5.081 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Cl)cc2Cl)o1 33696577 YBHLRVRZEISYTE-UHFFFAOYSA-N 435.738 6.759 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 44855178 QBBDWPFHEWIHBM-UGKGYDQZSA-N 426.988 5.279 0 40 IKAB CC[C@H](c1nc2ccccc2c(=O)n1C1CCCCCC1)N1C(=O)c2ccccc2C1=O 44928631 ZURSVTIXXIQYIY-JOCHJYFZSA-N 429.520 5.039 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 44950252 UCPRJLKOWXHRKS-UHFFFAOYSA-N 434.539 6.684 0 40 IKAB Cc1ccc(C(=O)C2CCN(C(=O)c3csc(-c4ccc(Cl)s4)n3)CC2)cc1 84148612 IUSSOKNVOXTXIU-UHFFFAOYSA-N 430.982 5.569 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3cccc(F)c3)C2=C(O)C1 102509369 TUFKYZNHNOFOGI-FQEVSTJZSA-N 432.417 6.181 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccc(Cc2ccncc2)cc1 103748833 BENWPMFLQRLKIQ-UHFFFAOYSA-N 427.367 5.307 0 40 IKAB CCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 106708193 JRKXEKNXVHYWRF-WQRHYEAKSA-N 432.339 5.393 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)cc3Cl)cc2)c(Cl)c1 106971519 NSKYIOOEPYFJLT-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1 219417215 QQTAGPWLODSINT-UHFFFAOYSA-N 447.450 6.078 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 223877366 DDRGUMNMKNMGGV-OAQYLSRUSA-N 446.566 5.291 0 40 IKAB CC(C)c1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)cc1 224105978 JFXGYIURXQUTJY-JOCHJYFZSA-N 434.624 5.261 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1ccccc1C(C)C 224563154 MHYKGFVHQCFUEY-UHFFFAOYSA-N 433.548 5.726 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224787962 IZGQEFNOPCSHGI-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C(C)C 224866701 CQIZSFUDQJWYJP-FGZHOGPDSA-N 441.000 5.617 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 224926557 UHLYMSYYVRSOJW-UHFFFAOYSA-N 432.395 5.444 0 40 IKAB O=C(c1ccc(-c2nc3cc(Cl)ccc3[nH]2)cc1)N1CCC(Cc2ccccc2)CC1 225268018 CANBRSCHRKNJJI-UHFFFAOYSA-N 429.951 5.978 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225377133 NBMOHUFFWSVXMY-SFTDATJTSA-N 446.591 5.113 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 225481544 HJAZYLXONVJRML-HYBUGGRVSA-N 438.612 5.085 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](Cc2cccc3ccncc23)CC1 257208006 BKGXJJJMEBPGTK-JOCHJYFZSA-N 438.575 5.273 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4)o3)[nH]n2)c1 257242135 IBFZJKXVOMWAGI-DEOSSOPVSA-N 442.519 5.032 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)CCc3ccccc3F)CC2)n1 257340486 ZGJHIGKLIYZYQV-XYWHTSSQSA-N 432.543 5.009 0 40 IKAB O=C(CSCc1cccc(Cl)c1)NCCSCc1ccc(Cl)c(Cl)c1 408925031 RZJQXZVSXVKFDV-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB O=C(c1ccccc1Cl)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 408971923 MABDBWDWHMIYEX-UHFFFAOYSA-N 446.978 5.421 0 40 IKAB O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CCCCCCC1)OCc1ccccc1 408997216 CQJCKOQIXSGHJN-VWLOTQADSA-N 447.579 5.235 0 40 IKAB CCOc1ccc2ccccc2c1C[C@@H]1SC(=O)N(Cc2ccc(Cl)cc2)C1=O 409146507 SMKSSWUZCSPZPD-NRFANRHFSA-N 425.937 5.699 0 40 IKAB Cn1c(SCC(=O)Nc2cc(Cl)ccc2Cl)nnc1-c1cc2ccccc2o1 409342376 BZHXDKZSJUIFDV-UHFFFAOYSA-N 433.320 5.266 0 40 IKAB O=C(CCc1ccccc1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575811 LVCSLUCEIXRGPZ-UHFFFAOYSA-N 430.548 5.788 0 40 IKAB Cc1ccc(NC(=O)c2cc(Br)cc3nc(O)[nH]c23)cc1-c1ccsc1 1644094399 VYNPGMBUSCBTNL-UHFFFAOYSA-N 428.311 5.320 0 40 IKAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ncc(Cc3ccc(Cl)cc3)o2)C1 2037845936 ICIMEVDLGVJNRD-KRWDZBQOSA-N 437.902 5.559 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCC(C(=O)Nc3ccc(Cl)c(Cl)c3)CC2)cc1 661453 UZGSSWKNTHCJOJ-UHFFFAOYSA-N 433.379 5.782 0 40 IKAB Cc1cc2cc(CN(Cc3ccccc3)C(=S)NCC(C)C)c(=O)[nH]c2cc1Cl 931554 DJIQNRMIVSNVRN-UHFFFAOYSA-N 428.001 5.023 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nc2ccc(Br)cc2s1 997866 UQOABZDBGNYEAZ-UHFFFAOYSA-N 448.729 5.928 0 40 IKAB Cc1ccc(C2=NCC(=O)N(CC(=O)c3cccc(Cl)c3)c3sc(C)c(C)c32)cc1 1329319 DHQSAVMMVXPMSG-UHFFFAOYSA-N 436.964 5.394 0 40 IKAB Cc1ccc2cc(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C 1378345 YEPXJIBFXQREMU-NRFANRHFSA-N 439.943 5.011 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C 1440322 TWPAHYYDJKAXHT-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB Cc1ccc(C)c(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1749839 ODERLUCHWQAXJZ-UHFFFAOYSA-N 446.978 6.583 0 40 IKAB CCCCSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCCC1)Cc1ccccc1-2 1825961 HUSBXSMQTQQIBB-UHFFFAOYSA-N 434.605 6.202 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc23)cc1C 2407913 GINDXKPYLXPPIA-UHFFFAOYSA-N 439.563 5.926 0 40 IKAB CCc1ccccc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc(Cl)c1 2425975 XURCFHJULYMORW-UHFFFAOYSA-N 438.940 5.390 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4cccc(OC)c4)c3)nc2c1 2592997 SXBHZUVIBUUBDU-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB O=C(NC(Sc1ccccc1)(Sc1ccccc1)C(F)(F)F)Oc1ccccc1 2689811 IAAIHBRHULUFKV-UHFFFAOYSA-N 435.492 6.576 0 40 IKAB C[C@@H](NC(=O)COC(=O)c1c2c(nc3ccccc13)CC[C@H](C(C)(C)C)C2)c1ccccc1 3244715 JBKHYHCTFXALFD-QUCCMNQESA-N 444.575 5.420 0 40 IKAB O=C1N[C@](c2ccccc2)(c2cccs2)C(=O)N1C1c2ccccc2Oc2ccccc21 4783191 KIWTZFIGKNXKOS-AREMUKBSSA-N 438.508 5.439 0 40 IKAB O=C(Nc1ccc(F)cc1)c1oc2ccccc2c1NC(=O)C12CC3CC(CC(C3)C1)C2 8603905 RVXFERIYRWSHEZ-UHFFFAOYSA-N 432.495 5.979 0 40 IKAB CC[C@H](NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 8718962 NQDXMXJPKJVDNR-NRFANRHFSA-N 443.341 5.514 0 40 IKAB Cc1csc(S[C@@H](C(=O)Nc2ccc(Cl)cc2C(F)(F)F)c2ccccc2)n1 8825849 FFKJVIYWCOKZFJ-MRXNPFEDSA-N 442.915 6.596 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2C)cc1 9461727 CFMOVGPERZQYDO-UHFFFAOYSA-N 426.516 5.391 0 40 IKAB O=C(CCCSc1nc2ccccc2[nH]1)Nc1nnc(SCc2ccccc2)s1 9492575 NKNBKQMHBWKGEE-UHFFFAOYSA-N 441.607 5.218 0 40 IKAB Cc1cc(-c2ccc(NC(=O)c3cccs3)c(C)c2)ccc1NC(=O)c1ccsc1 9543723 VRAQYLPSCCUVDA-UHFFFAOYSA-N 432.570 6.598 0 40 IKAB Cc1cccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)c1 9570255 RUUTTZTZSGHXLY-UHFFFAOYSA-N 432.524 5.036 0 40 IKAB COc1ccc(NC(=O)Nc2c(NC3CCCCC3)c3ccccc3oc2=O)cc1OC 9607668 BDGQMOFZHMXFHT-UHFFFAOYSA-N 437.496 5.199 0 40 IKAB COc1ccccc1CNc1nc(Nc2ccc(F)cc2)c2cnn(-c3ccccc3)c2n1 9622537 BVOFIRWKOXDCMZ-UHFFFAOYSA-N 440.482 5.319 0 40 IKAB O=C(CCCSc1nnc(-c2c[nH]c3ccccc23)o1)c1ccc(Br)cc1 9778564 PMVYGAACQSBWCV-UHFFFAOYSA-N 442.338 5.736 0 40 IKAB Fc1cccc(-c2nnn3c2nc(NCc2ccc4c(c2)OCO4)c2cc(Cl)ccc23)c1 9858876 MNQLPHUGFHQYLL-UHFFFAOYSA-N 447.857 5.078 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2C)c1 10112460 AGFISTLZPGMQCK-IBGZPJMESA-N 434.561 5.004 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc(Cl)c3Cl)ccc2C)cc1 10315322 BQCUHVQTQFOIEO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1ccc2nc(N(CCN(C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1 12140782 GGHSVASLRKWUDF-UHFFFAOYSA-N 443.572 5.044 0 40 IKAB Cc1ccc(OCCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 12378334 SXETYYYHJMPVEG-UHFFFAOYSA-N 428.576 6.690 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)c2ccccc2)cc1 12493831 HDYDCKZHHBURFE-UHFFFAOYSA-N 428.963 6.656 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c1 12600842 AQHKIHRFLKSRRK-KGLIPLIRSA-N 438.578 6.135 0 40 IKAB COc1cc(NC(=O)c2sc(-c3ccco3)nc2-c2ccccc2)cc(OC)c1OC 12821668 RJBRQPGOHVLDCL-UHFFFAOYSA-N 436.489 5.348 0 40 IKAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2csc(-c3cccc(Cl)c3)n2)c1 12888595 WIKYZIJKYJFJFK-UHFFFAOYSA-N 427.957 5.127 0 40 IKAB CCCCOc1cccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 13628440 JMFQEOKKVMTQQY-UHFFFAOYSA-N 444.575 6.668 0 40 IKAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 13669256 WAJXQLXXDKKGQE-GOSISDBHSA-N 436.577 5.276 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)COc1ccc(C(C)(C)C)cc1)c1ccccc1 13684276 IUXFLEKWFNMHOF-IBGZPJMESA-N 430.548 5.493 0 40 IKAB Cc1cc(I)ccc1NC(=O)c1ccccc1CCc1ccccc1 13688326 DQCSFABKJOXUQT-UHFFFAOYSA-N 441.312 5.637 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)o1 14128715 XQTAYNPIVGOWBH-INIZCTEOSA-N 447.516 5.657 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)N(Cc1ccccc1)Cc1ccco1 14242894 VJVAFIQIVBSJBF-UHFFFAOYSA-N 444.560 5.059 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1cccc(OC(C)C)c1 14272348 WLFVTRYXFXGXJS-UHFFFAOYSA-N 444.531 6.666 0 40 IKAB Cc1ccc(Cn2c([C@H](C)NC(=O)c3ccc(Cl)cc3Cl)nc3ccccc32)cc1 15912059 GWDVJJWLRCIVFD-INIZCTEOSA-N 438.358 6.191 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Cl)cc1Cl 18173246 SLUQRCFTBKXEDW-UHFFFAOYSA-N 425.768 6.975 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC(c4cc5nc(C(F)(F)F)ccc5[nH]4)CC3)[nH]c2c1 19221770 ITXAYAYTMYUWAG-UHFFFAOYSA-N 426.442 5.391 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1Br 20142367 XJBOOBNQKDYXJG-UHFFFAOYSA-N 430.298 5.161 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 20807956 RCOFEORHGDDHDL-DTQAZKPQSA-N 448.522 7.278 0 40 IKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1cccc(C)c1 22110284 QBWDJMVUFMYPLU-UHFFFAOYSA-N 432.549 5.247 0 40 IKAB COc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454895 GLTTWGVHQURKCX-GDLZYMKVSA-N 439.603 5.516 0 40 IKAB Clc1ccc(-c2nc(CSc3nnc(-c4ccccc4)n3Cc3ccco3)no2)cc1 24754297 NNSRMYXMISZQEB-UHFFFAOYSA-N 449.923 5.582 0 40 IKAB CCN(Cc1ccc(OC)c(F)c1)C(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 24927503 CWVWEARCWPZZST-UHFFFAOYSA-N 445.494 5.522 0 40 IKAB CCCOc1ccc2c(=S)c(-c3cc(C(=O)OC)oc3C)c(C(F)(F)F)oc2c1C 26687891 LJWZXZDCKDGZKN-UHFFFAOYSA-N 440.439 6.633 0 40 IKAB CCN1C(=O)c2cccc3c(NC(=O)c4cc(-c5cccs5)nc5ccccc45)ccc1c23 27528268 HCVIFKYKWACYRE-UHFFFAOYSA-N 449.535 6.349 0 40 IKAB Cc1ccc(C2=N/C(=C/c3cc4cccc(C)c4nc3Sc3ccccc3)C(=O)O2)cc1 27572888 SNAUTVHIFQNJSJ-XQNSMLJCSA-N 436.536 6.347 0 40 IKAB O=C(Nc1ccc(-c2nc3cnccc3o2)c(Cl)c1)c1sc2ccccc2c1Cl 32073810 KNXBYFBQRSWKNJ-UHFFFAOYSA-N 440.311 6.664 0 40 IKAB CCc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)cc1 32664942 UKULNWJWIMFNLM-OALUTQOASA-N 445.563 5.188 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)cc1 33778997 FPIUFWIXWQBLRN-JLHYYAGUSA-N 428.001 5.590 0 40 IKAB 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@@H]2[C@H](C)CCCC(C)C)C1 39392559 PHLIUSDPFOUISN-GQRDYSQKSA-N 430.717 8.039 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3ccccc3NC(=O)c3cccc(C)c3)s2)cc1 39768439 PSCDVXALLNWJFX-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB CC(C)NC(=O)N(C)c1ccc(OC(=O)c2nc(-c3ccccc3)n3c2CCCCC3)cc1 40122783 WXDVAMQJPPOUEV-UHFFFAOYSA-N 446.551 5.050 0 40 IKAB O=C(c1cc(C(F)(F)F)cc(C(F)(F)F)c1)N1CCC(c2c[nH]c3ncccc23)CC1 58405543 JQVHTPOIVOXMLY-UHFFFAOYSA-N 441.375 5.620 0 40 IKAB CN(C)S(=O)(=O)c1ccc2nc(SCc3cc(Cl)ccc3Cl)sc2c1 59417623 UEDOTXHULJLNCW-UHFFFAOYSA-N 433.407 5.146 0 40 IKAB FC(F)(F)c1cccc(-c2c[nH]c([C@H]3CCCN3Cc3nnc(-c4ccccc4)o3)n2)c1 72308657 MOYWHGCJXNCYBS-LJQANCHMSA-N 439.441 5.483 0 40 IKAB Cc1cc(Cc2cccc(F)c2)cc([C@@H]2CCCN(C(=O)c3c(C(C)C)noc3C)C2)n1 72354168 GAVSUGVLGZGBLY-OAQYLSRUSA-N 435.543 5.560 0 40 IKAB CCCNc1oc(Cc2cccc3ccccc23)nc1P(=O)(OCCC)OCCC 80345686 IMDJAAWLZGLXPR-UHFFFAOYSA-N 430.485 5.912 0 40 IKAB CC(C)Oc1cccc(-c2cc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)c3ccccc3n2)c1 102640723 FRBDFGGZBPEKEX-XHOYROJHSA-N 428.576 6.244 0 40 IKAB O=C1S/C(=C\c2c(F)cccc2Cl)C(=O)N1Cc1ccccc1Br 106728262 GEVMKGKOSCOHOC-NVNXTCNLSA-N 426.694 5.478 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccc(F)cc2)CC1 115605501 BHONFABRPURIMT-UHFFFAOYSA-N 445.469 5.249 0 40 IKAB O=C(CCC(=O)N(c1ccccc1)c1ccccc1)NC1CCCCCCCCCCC1 199417730 RDECQYDPPKRUHU-UHFFFAOYSA-N 434.624 6.921 0 40 IKAB CN(Cc1nc(-c2cccs2)no1)C(=O)c1cccc(OCc2ccccc2Cl)c1 219847538 CLZOBYSSRBSHSJ-UHFFFAOYSA-N 439.924 5.303 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccc4ccccc34)ccc2C)cc1 222849451 JRYSCVTYJFHUOW-UHFFFAOYSA-N 444.556 5.187 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 222924722 MORHRTZWSGKNAK-DEOSSOPVSA-N 436.596 5.796 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 223193755 YGDOGGHITRBHSX-LJQANCHMSA-N 447.044 5.215 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccccc1C(C)(C)C 224169739 CQMSGWLRLIASSO-UHFFFAOYSA-N 437.967 6.786 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1cccc2ccccc12 224298889 QMUFCLFLLCBFOL-UHFFFAOYSA-N 431.919 6.011 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1nccs1 224423203 UVURWDIITLLDRZ-LEWJYISDSA-N 449.580 5.262 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)o1 224625004 XFFCHVURMWNVBO-BJKOFHAPSA-N 427.529 5.952 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1CSc1ccc(C)cc1 224663330 ZRWUZMAQRIEANA-UHFFFAOYSA-N 445.506 6.957 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1c(F)cccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224703979 ZSIQJUAOVGUFKO-SFHVURJKSA-N 444.978 5.196 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225411961 OXBIHXRWVBYFFF-SFTDATJTSA-N 438.612 5.083 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225423434 SOIWMVNYJLOWQC-RTBURBONSA-N 447.044 5.197 0 40 IKAB CCCn1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 225730340 OGEBOGJRSDRNIN-UHFFFAOYSA-N 440.546 5.066 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3ccc(C)cc3[nH]c2=O)C[C@H]1c1ccccc1C 226779810 PXNRGCWBDZMFPL-VWLOTQADSA-N 449.554 5.900 0 40 IKAB O=S(=O)(Oc1ccc(C2CCCCC2)cc1)c1ccc(I)cc1 226855238 QHXMPLSNLMYKHA-UHFFFAOYSA-N 442.318 5.107 0 40 IKAB O=C(c1ccccc1Cn1cccn1)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1 257332099 XVTFIQMVKQMVEY-HSZRJFAPSA-N 443.938 5.019 0 40 IKAB CCCCOC(=O)CN1C(=O)S/C(=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C1=O 408529624 IRDOOBYCBABBCU-AQTBWJFISA-N 447.597 5.367 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(OC)cc2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561789 LINUSRJIAVHASJ-LVWGJNHUSA-N 449.403 6.246 0 40 IKAB Fc1ccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Br)cc1 408605815 GUBUTNRCNSYHAB-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(Cl)cc2)cc1 408698809 PSHBIQOACLITHU-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(C)c2C)S(=O)(=O)c2ccccc2)cc1Cl 409028513 OKEGRFMPAVOUPZ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2ccc(Br)cc2F)c2ccccc2)cc1 409247971 FIYPPGWEYVLXSZ-CPNJWEJPSA-N 426.285 5.776 0 40 IKAB COc1cccc([C@@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 680217538 PXNFGQCDVMZQGU-LOSJGSFVSA-N 439.519 5.039 0 40 IKAB CCCC(=O)Nc1ccc2nc(S[C@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 624678 KCPXSDFINOSXKB-MRXNPFEDSA-N 441.622 6.079 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1cccc(Cl)c1Cl 902299 DZJLAOVRLUXDOB-UHFFFAOYSA-N 448.253 5.793 0 40 IKAB CCOc1ccc(-c2cc(C)n3nc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3n2)cc1 994070 QLJHPYZXYOEJFI-UHFFFAOYSA-N 441.318 5.663 0 40 IKAB Nc1c(C(=O)NCc2ccccc2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 1051418 KQLWBBDIECKOGD-UHFFFAOYSA-N 433.480 5.556 0 40 IKAB O=C(CCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O)Nc1cccc(C(F)(F)F)c1 1304579 OMSYEFCKWZGHNX-KGTQDBRDSA-N 446.450 5.327 0 40 IKAB CCOC(=O)c1c(Oc2ccc(OC)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1971311 XZRMCMVVOPNGTB-UHFFFAOYSA-N 426.472 5.788 0 40 IKAB aggregator CCCCC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccccc2F)c2ccccc2)C[C@H]1C 2054466 GKCZEAWOZPUETJ-IBVKSMDESA-N 444.550 6.529 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3s2)c1)c1cccc(Br)c1 2056941 FWEVVXQSYSXZBL-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 2177494 MVOPESAGXIYHJG-OJVSJSBUSA-N 436.382 7.111 0 40 IKAB O=S(=O)(c1ccc(Oc2ccccc2)cc1)N1CCS[C@@H]1c1ccccc1Cl 2249515 LPCWUWXWQIIZNO-OAQYLSRUSA-N 431.966 5.569 0 40 IKAB CCCCc1nc2ccccc2c(=O)n1-c1cc(Br)ccc1Br 2339591 XQDQPXFGZZJLJY-UHFFFAOYSA-N 436.147 5.253 0 40 IKAB C=CCOc1ccc(/C=C2/S/C(=N\c3ccc(Cl)cc3C(F)(F)F)NC2=O)cc1 2449419 BEVXQFDFLNCLDI-LICLKQGHSA-N 438.858 5.815 0 40 IKAB Cc1nnc(SCc2ccccc2)nc1/C=C/NOCc1cccc(Cl)c1Cl 3104880 JPWHMRFOHRYBAA-ZHACJKMWSA-N 433.364 5.471 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1sc2ccccc2c1Cl 3262795 JZEUMQJWQFXADF-UHFFFAOYSA-N 449.306 6.354 0 40 IKAB COc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3Cl)n2C(C)C)cc1 3299080 PSGBWGREDQXTSY-UHFFFAOYSA-N 438.380 6.013 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Sc1nnc(-c2ccccc2)o1)c1ccccc1 3323191 AQJCXZIFHYJZHM-NRFANRHFSA-N 431.517 5.607 0 40 IKAB CC[C@H](C)n1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O 3507402 KQRQQAQSHLWBOU-NSHDSACASA-N 437.384 5.167 0 40 IKAB CC1(C)CC[C@@]2(CO)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 4104783 PSZDOEIIIJFCFE-NCMAIKCASA-N 442.728 7.141 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 4426980 NFGRVVXYMOCXDC-DEOSSOPVSA-N 446.963 5.850 0 40 IKAB Cc1ccn2c(Nc3ccc4c(c3)OCCO4)c(-c3cccc(Br)c3)nc2c1 4794019 QTDDHFLMIIVVTJ-UHFFFAOYSA-N 436.309 5.587 0 40 IKAB CCCCSc1ccc(C(SCCN(C)C)c2ccc(SCCCC)cc2)cc1 4895975 OISBUMLGWWDWJH-UHFFFAOYSA-N 447.779 7.855 0 40 IKAB CCOc1cc(CNCCc2ccc(OC)cc2)ccc1OCc1ccc(Cl)cc1 8254533 VZEBQMIWDWIGDN-UHFFFAOYSA-N 425.956 5.659 0 40 IKAB O=C(Nc1cc(-c2nc3cc(Cl)ccc3o2)ccc1Cl)c1cccc2ccccc12 8590624 JGUWRWYXWRNYED-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB COc1ccc(N(Cc2ccccc2)C(=O)CSc2cccc(Cl)c2Cl)cc1 8781555 RVGPOEYNHQMZSN-UHFFFAOYSA-N 432.372 6.328 0 40 IKAB Cc1c(CC(=O)NCc2cccnc2)c(=O)oc2c(C)c3occ(-c4ccccc4)c3cc12 8791627 RQYDRUMPAYTEGW-UHFFFAOYSA-N 438.483 5.077 0 40 IKAB biogenic CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2ccco2)cc1 8868723 BVIIFFXUYORJFK-HSZRJFAPSA-N 429.472 5.229 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccncc2)cc1 9296246 CWRCYBKCMAHIHG-UHFFFAOYSA-N 441.329 5.523 0 40 IKAB COc1ccc2sc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)nc2c1 9524909 UBIGKWYGPAKXLV-UHFFFAOYSA-N 431.542 5.762 0 40 IKAB O=C(COc1ccc(Cl)c2cccnc12)N[C@H](c1ccc(F)cc1)c1cccs1 9595438 DPGHICHUAFFXAG-OAQYLSRUSA-N 426.900 5.373 0 40 IKAB S=c1n(CN2CC[C@@H](c3ccccc3)C2)nc(COc2ccccc2)n1-c1ccccc1 9614323 KXMAZWIKBGZDDL-JOCHJYFZSA-N 442.588 5.429 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCSc2ccccc21 9815052 BGROETGQKYQWOW-JOCHJYFZSA-N 441.556 5.515 0 40 IKAB COc1ccc2[nH]cc(CCNC(=O)c3sc(-c4ccccc4Cl)nc3C)c2c1 12406988 PYALPOWFCACIAQ-UHFFFAOYSA-N 425.941 5.234 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2c(Cl)cccc2Cl)NC(=O)N1 12622184 UCBUOHULJPFDJW-INIZCTEOSA-N 444.240 5.279 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCC(C)(c2ccccc2)c2ccccc2)no1 13126941 NPRVOISDJSZBHN-UHFFFAOYSA-N 443.572 5.406 0 40 IKAB c1ccc(Cn2ccnc2CSCCSCc2nccn2Cc2ccccc2)cc1 13212112 ZWFVMNRESYMWKO-UHFFFAOYSA-N 434.634 5.343 0 40 IKAB COc1ccc(-n2c(SCC(=O)N3CCCc4ccccc43)nc3ccccc32)cc1 13521960 QJMCSHKAZLVQQE-UHFFFAOYSA-N 429.545 5.106 0 40 IKAB Cc1ccccc1NC(=O)c1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(Cl)cc1 13583828 KBCSGBDRXFDEMG-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628069 FWCWFBGKUIXXRE-UHFFFAOYSA-N 444.575 6.377 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OCc2ccccc2Cl)cc1 13687592 DVQNLUUDVJDBIM-UHFFFAOYSA-N 440.248 6.844 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)c1oc2ccccc2c1COc1ccccc1 14190321 VSLSLHZWELYEGV-UHFFFAOYSA-N 440.543 5.406 0 40 IKAB Cc1cccn2cc(COc3ccc(C(=O)Nc4nc(-c5ccccc5)cs4)cc3)nc12 14847067 KQJHXSSUZBOYAH-UHFFFAOYSA-N 440.528 5.598 0 40 IKAB Cc1ccc(NC(=S)N=[P@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1Cl 15905894 TVNYIDAVRMCLDM-MUUNZHRXSA-N 449.988 5.918 0 40 IKAB COc1ccc(S[C@@H](CC(=O)c2ccc(C)cc2)c2ccc(Cl)cc2)cc1OC 16291785 OWZFSRXYHIANBC-DEOSSOPVSA-N 426.965 6.772 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(Cl)c2Cl)cc1 17096312 IWJUCQSVWPXJFY-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCc1sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)O)c(C(=O)OC)c1-c1ccccc1 19634336 ZVWKPWOUKWZEGX-SJORKVTESA-N 441.549 5.150 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)cc1C 19928047 YSTQRGICYARVJQ-UHFFFAOYSA-N 445.544 5.722 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3C)c(Cl)c2)cc1 20455322 DZSMABCUTFPLGH-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578577 KJLXUJSLIYIBSJ-UHFFFAOYSA-N 428.532 6.851 0 40 IKAB O=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1ccccc1C(F)(F)F 22170952 AUGPNVFCZGQLFQ-UHFFFAOYSA-N 428.436 5.170 0 40 IKAB Cc1cccc(-c2noc(CN(C3CCCC3)S(=O)(=O)c3ccc(C(C)C)cc3)n2)c1 22256907 PHJPTTIXCWFZIN-UHFFFAOYSA-N 439.581 5.302 0 40 IKAB CCCCC1=N[C@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@@H]2C2=C1CCC2 26959941 GPPLAZKVPMJOLV-CVDCTZTESA-N 447.633 6.057 0 40 IKAB COc1cccc(-c2nc(C(=O)Oc3ccc(Cl)c4cccnc34)cs2)c1OC 29597869 NKQKDSICSGQPSR-UHFFFAOYSA-N 426.881 5.248 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 30947092 SNAPEWRCURDKFV-GYPCIFOGSA-N 446.610 6.144 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccccc2C(F)(F)F)cc1OCc1ccccc1 33853196 CNFAWUJUCDYKJO-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB O=C1N/C(=N/c2ccccc2C(F)(F)F)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646095 UBBKYNLYLDXVGE-WQRHYEAKSA-N 448.853 6.510 0 40 IKAB Cc1c(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)c(Cl)c4)noc3n2)cnn1C 36617380 JGMXYCRVJDHNHG-UHFFFAOYSA-N 427.213 5.924 0 40 IKAB C[C@@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 40159366 LHQQCGVUOOREHB-MRXNPFEDSA-N 444.512 5.367 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(C(C)(C)C)cc4)cc3)oc2c1 59294618 WKDOMCFHNRLTPW-UHFFFAOYSA-N 442.559 6.897 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1F 67292977 CWMKXFZFJPDJKI-MRTYKACHSA-N 435.282 5.020 0 40 IKAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 78557145 VMAHHHVRYICWEY-UHFFFAOYSA-N 429.929 5.461 0 40 IKAB O=C(CCCc1nc(-c2cccs2)no1)N1CCc2ccccc2[C@H]1Cc1ccccc1 89830378 HPNMXCOMSVXBCO-JOCHJYFZSA-N 443.572 5.490 0 40 IKAB CC(C)C1=C2CC[C@]3(C)[C@H](CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@]43C)[C@@]2(C)CC1 96023876 DHBQQMHTQXHLJU-JFAFVJIASA-N 426.729 8.169 0 40 IKAB biogenic CC1(C)CC2=Nc3ccccc3N(C(=O)c3cccs3)[C@@H](c3ccccc3)C2=C(O)C1 100141903 USGQSXKQMPPQEB-DEOSSOPVSA-N 428.557 6.854 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccc(C)cc2C)cc1 109029603 SWBAGAUTGBNOKE-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB Cc1ccc(SCCNC(=O)COc2ccc(C(C)(C)C)cc2Br)cc1 218879369 OBGQERVGHVIYPW-UHFFFAOYSA-N 436.415 5.342 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 222682010 HUAZUYVIISMNHJ-LLVKDONJSA-N 448.177 5.006 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1-c1cccnc1 223087136 RZPBFPLYXCYLEP-DNQXCXABSA-N 431.609 5.189 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223343447 PWVQRMBHEBKNNP-RUZDIDTESA-N 434.967 5.526 0 40 IKAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1C(C)(C)C 224166658 PGGLEUVJPBWJGJ-UHFFFAOYSA-N 437.967 6.155 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224223931 YBSKRNZLJVSRTR-MSOLQXFVSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1cccc(C)c1 224386242 UYQDURNEWAHBKO-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(C)S(=O)(=O)c3ccc(Cl)cc3)cc2)c1 224431134 MYYISQKCUJRCEY-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cc(C)cc2C)cc1COc1ccccc1C(C)(C)C 224515684 JQGRMUUVSAJYPQ-UHFFFAOYSA-N 445.603 7.139 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(OC)cc3OC)o2)cc1 224910581 GHJPRYJXCOQJND-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3C)o2)cc1 224918219 NKNYJVUIFLTXNV-UHFFFAOYSA-N 432.907 6.621 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 225075263 NHJVRUVGARWBEL-FCHUYYIVSA-N 436.640 5.557 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225094786 JZECIIKGMPMVAN-ROUUACIJSA-N 433.017 5.073 0 40 IKAB CCOc1ccc(Nc2cc(C)nc(NC(=S)NCc3ccc(Cl)cc3)n2)cc1 225199942 BJJHOXGZGYXXFR-UHFFFAOYSA-N 427.961 5.067 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225327175 BKCMBOCXQWAPOG-MRXNPFEDSA-N 441.358 6.056 0 40 IKAB CCCCCn1c(SCc2nc(-c3ccccc3Cl)no2)nc2ccccc2c1=O 225532200 VJUPMVBKUXTYOU-UHFFFAOYSA-N 440.956 5.582 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 225577454 ZRJOARXCURXLPP-SQJMNOBHSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225720759 IXUZUMBUKYEACV-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(CC(c3ccccc3)c3ccccc3)nn12 227143368 CWAZVJHKSDLSBR-UHFFFAOYSA-N 436.544 5.184 0 40 IKAB C/C(=C/CC[C@@H](C)[C@H]1CC[C@@]2(C)C3=CC[C@H]4C(C)(C)[C@@H](O)CC[C@]4(C)C3=CC[C@]12C)CO 255195971 AOXXVRDKZLRGTJ-GJCSLOPBSA-N 440.712 7.228 0 40 IKAB Cc1cccc(C)c1OCC(=O)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257242542 IDARNUORXGDDOR-HSZRJFAPSA-N 448.994 5.728 0 40 IKAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)cc1 257332775 XYOQOPMLMWJKGT-HXUWFJFHSA-N 429.520 5.084 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@@H]3[C@H](c4ccccn4)N=C4S[C@H](C)CN43)c2C)cc1 260752875 AFDUWHIQDBFDLX-ZNZBMKLDSA-N 432.593 5.395 0 40 IKAB COc1cc(C(=O)Nc2cc(F)ccc2C)cc(Br)c1OCc1ccccc1 408624930 VYXVKQYFBCSJKQ-UHFFFAOYSA-N 444.300 5.737 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2cccc(C)c2)c1 408693611 AYOIKKNQMLVZTK-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(/C=C2\S[C](Nc3cc(Cl)ccc3OC)NC2=O)c2ccccc12 408812745 PKNLPQXJXFNQEV-UHFFFAOYSA-N 439.944 5.663 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 408912728 RCZMISKFDZQVPK-UHFFFAOYSA-N 436.577 5.654 0 40 IKAB COc1ccc(NC(=S)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 408981183 VDGIHCARTIJZLI-UHFFFAOYSA-N 442.500 5.967 0 40 IKAB Oc1nc(-c2ccc(-c3cccc(Cl)c3Cl)o2)nc2sc3c(c12)CCCCCC3 408991614 QSKSNAQHPRHZHG-UHFFFAOYSA-N 445.371 7.290 0 40 IKAB Cc1cccc(OCc2nn(CC(=O)N(C3CCCCC3)C3CCCCC3)c(=S)o2)c1 409156766 UKBMICZNSNCQHG-UHFFFAOYSA-N 443.613 5.587 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccccc1N1C(=O)c2ccccc2C1=O 409171889 COSAGRSDYGJTDX-UHFFFAOYSA-N 426.255 5.151 0 40 IKAB Cc1ccccc1CN(c1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1)S(C)(=O)=O 409178916 KHJPVMQGMNXREV-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CCc3ccccc3)C2=O)cc(Cl)c1OCC 409212897 SACKNDUKFXWPPC-XMHGGMMESA-N 431.941 5.416 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c(C)c1 409255354 HMCNAHYWUUPSGN-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC(C)CCN(CC(=O)O)C(=O)c1ccc2c(c1)C[C@@](C)(Cc1ccc(C(C)C)cc1)O2 585266933 CSZCRKCVACUZBC-HHHXNRCGSA-N 437.580 5.319 0 40 IKAB C[C@H]1CN(C(=O)/C=C/c2ccccc2Cl)[C@@H](C)CN1C(=O)/C=C/c1ccccc1Cl 1000838 PNFOVWBPCOGLDD-KGMIGHOGSA-N 443.374 5.168 0 40 IKAB COc1ccc(C(=O)N(Cc2cccs2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 1359580 IIQNGHQKPIELKS-UHFFFAOYSA-N 432.545 5.058 0 40 IKAB Cc1cc2cc(CN(Cc3cccs3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1C 1371172 SYXPWATVULGKHI-UHFFFAOYSA-N 435.524 5.580 0 40 IKAB COc1ccc(C(=O)Nc2ncc(Cc3ccc(SC(F)F)cc3)s2)cc1OC 1453221 AFOZJQSAKACQAJ-UHFFFAOYSA-N 436.505 5.318 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccccc1 1773783 KVFANBGLKPWKJC-AREMUKBSSA-N 440.930 6.690 0 40 IKAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)c(C)c3)nc3ccc(C)cc23)cc1 2079502 FTYNLIKAXWQPPJ-NRFANRHFSA-N 437.539 6.564 0 40 IKAB CCCn1c(SCCc2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2 2253986 OOEKRXJZOMXCSS-UHFFFAOYSA-N 430.617 6.023 0 40 IKAB CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1S(=O)(=O)Cc1ccccc1 2286256 PBSCWBGWMFRAPA-RUZDIDTESA-N 440.008 6.165 0 40 IKAB COc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(OC)cc2)cc1 2714693 VJERTLQNCZMBJP-UHFFFAOYSA-N 436.515 5.717 0 40 IKAB COc1ccc(NC(=S)N2CCS[C@H]2c2ccc(Cl)cc2Cl)cc1Cl 2727794 DZTCQAPECSSVMN-INIZCTEOSA-N 433.813 6.100 0 40 IKAB C[C@H](NC(=O)COC(=O)CSc1ccc(Cl)c(Cl)c1Cl)c1ccccc1 3275226 VKVCOLJSKYWGCY-NSHDSACASA-N 432.756 5.160 0 40 IKAB Clc1ccc(SCc2nc(NC[C@H]3CCCO3)c3c4c(sc3n2)CCC4)cc1 3304535 LRMLZIAYIHLCFF-CQSZACIVSA-N 432.014 5.717 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2F)c(C)n1C1CC1 3386249 UYPRXNYXCFSHMU-UHFFFAOYSA-N 447.539 5.197 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2C1 5496665 JFSHUTJDVKUMTJ-ANHDBERASA-N 426.729 8.169 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nnc(C2CCCCC2)n1-c1ccccc1 6443399 LQOIVSBVTWTZRL-IBGZPJMESA-N 434.609 6.051 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1OC 6591649 GAZAZNIWRNDPRY-VFNWGFHPSA-N 428.598 6.125 0 40 IKAB COc1ccc([C@H]2[C@H]3CCc4ccccc4C3=NN2C(=O)CSc2ccccc2)cc1 8382981 AFRWOSWUNHFAGE-OZXSUGGESA-N 428.557 5.338 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 8717704 JEHMUUGNGQASKI-RUZDIDTESA-N 443.978 5.876 0 40 IKAB C[C@H](Cc1ccc(Cl)cc1)NCCO[C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 8748955 XIRRZPCWSNKZAJ-OSPHWJPCSA-N 432.366 6.459 0 40 IKAB Cc1ccccc1OCCn1c([C@H]2CC(=O)N(c3cccc(Cl)c3)C2)nc2ccccc21 8755008 BJPDVJNZLYNLIF-IBGZPJMESA-N 445.950 5.598 0 40 IKAB COc1ccc(-c2nnc(SCc3csc(NC(C)=O)n3)n2C2CCCCC2)cc1 8755252 LNZDKRPFMCSGRR-UHFFFAOYSA-N 443.598 5.166 0 40 IKAB CCc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 8871459 VOSBMBFWYXSORQ-JOCHJYFZSA-N 439.559 5.507 0 40 IKAB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@@H]2c2ccc(C(C)C)cc2)cc1 8876488 KYUJFFPYYKFASJ-MHZLTWQESA-N 442.559 5.557 0 40 IKAB biogenic COc1ccc(CCC(=O)Nc2ccc3c(c2)N(CCC(C)C)C(=O)C(C)(C)CO3)cc1 8959941 VGGRNXYAOFEBNE-UHFFFAOYSA-N 438.568 5.064 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 9142425 XDHYDUKECPVBQT-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)COc4cccc(C)c4C)ccc3o2)cc1 9189829 IMTJLXALRVJDGR-UHFFFAOYSA-N 445.544 5.312 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@@H]2C(C)=C(C)C(=O)N2CCCOC(C)C)c1 9226978 RCOXOOLLFBBAMQ-SANMLTNESA-N 432.564 5.878 0 40 IKAB Cc1nc(NC(=O)[C@H](C)Sc2nnc(Cc3ccccc3)n2-c2ccccc2)sc1C 9265232 QKCVWTZFLFOBOW-KRWDZBQOSA-N 449.605 5.051 0 40 IKAB CCc1ccc2c(CSc3nnc(Nc4ccc(OC)cc4)s3)cc(=O)oc2c1 9285789 JEAMOTHSWFYVHT-UHFFFAOYSA-N 425.535 5.251 0 40 IKAB Cc1noc(C)c1COc1ccc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccccc2)cc1 9339113 PDSVGQUIOKMEAN-AREMUKBSSA-N 439.515 5.637 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2cccs2)S1 9431874 ISXHUJBSSGHPKK-RHQCCRLKSA-N 431.542 5.443 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)Cc3ccc(F)cc3)c2-c2nc3ccccc3s2)C1 9504676 FZPGLTFKUUHMAB-AWEZNQCLSA-N 436.577 6.470 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(Cc2cccs2)n1C1CCCCC1 9549219 PINASJNFFCOHTG-UHFFFAOYSA-N 441.622 5.939 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)[C@@H]2c2ccccc2)cc1 9873099 CZVQFGLSYQRWRW-RSXGOPAZSA-N 442.515 5.021 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccc(C)cc3)C2)cc1OC 10013865 DFIROOVXGPBIEQ-JOCHJYFZSA-N 434.923 5.657 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCC1)c1nc2ccccc2n1C(F)F 12525698 AFKRDSIUSJDPAW-CQSZACIVSA-N 440.519 6.110 0 40 IKAB CC(=O)c1ccc(Nc2nc3ccc(S(=O)(=O)Nc4ccccc4Cl)cc3o2)cc1 12540699 BPSHCSAXTVWJFF-UHFFFAOYSA-N 441.896 5.228 0 40 IKAB Cc1ccc(-c2csc(N(C(=O)CSc3nccn3C)c3cccc(C)c3)n2)cc1 12548167 ZYBCQVIWRHTAKO-UHFFFAOYSA-N 434.590 5.617 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(-c3nc4ccccc4s3)s2)cc1 12624873 DAGUFHAEYSXVRN-AWEZNQCLSA-N 436.558 5.771 0 40 IKAB COc1ccc(-c2csc3ncnc(N4CCN(c5cccc(C)c5C)CC4)c23)cc1 12634664 WYFAOYQYPVWOOU-UHFFFAOYSA-N 430.577 5.310 0 40 IKAB O=C(CSc1ncnc2sccc12)N1c2ccccc2SC[C@H]1c1ccccc1 12779839 ZZAWIAFACYUUCR-SFHVURJKSA-N 435.599 5.664 0 40 IKAB CC[C@@H](c1nnnn1C1CCCCC1)N(Cc1cc2ccc(C)cc2[nH]c1=O)C1CCCC1 13063839 FMDVLGNSTQQKMI-DEOSSOPVSA-N 448.615 5.224 0 40 IKAB COc1cc(CCC(=O)Nc2cc(Cl)ccc2N2CCCCCC2)cc(OC)c1OC 13075419 KFMWJJCOOOZDHQ-UHFFFAOYSA-N 446.975 5.318 0 40 IKAB COc1ccc(-n2c(/C=C/c3ccc(Cl)cc3)nc3sc4c(c3c2=O)CCCC4)cc1 13527711 XWIUGELZBDDBGF-OVCLIPMQSA-N 448.975 6.158 0 40 IKAB O=C(O)CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccc3ccccc3c2)[nH]c2ccccc12 13839074 JZOARUYNCLDWCU-HHHXNRCGSA-N 432.479 5.618 0 40 IKAB Cc1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c(C)c1 13936241 XIABXHVMSUDZHL-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB Cc1ccc2oc(-c3ccc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)c3)nc2c1 13946153 AEVPNWDWMJABPK-NTCAYCPXSA-N 434.495 7.024 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(COc2ccc3c(c2)CCCC3)o1 15019531 GUKSETDOLPUTTQ-UHFFFAOYSA-N 443.956 5.220 0 40 IKAB CCOc1ccc(N2C(=O)CN(c3ccc(C)cc3)C(=O)[C@H]2c2ccc(SC)cc2)cc1 15413368 FDXXGXHMOSZMNY-RUZDIDTESA-N 446.572 5.237 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCC(=O)c3ccc(C)s3)ccc2OC(F)F)cc1 15598611 FBFQRYXNHBSAHJ-UHFFFAOYSA-N 445.487 5.935 0 40 IKAB Cc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccccc4Br)cc3c2C)cc1 15729524 MADXLHWORCGRMH-UHFFFAOYSA-N 448.316 6.295 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CCN(C)C2 15823441 DDVQVSDNJLJGNC-UHFFFAOYSA-N 434.970 5.033 0 40 IKAB COc1cc(Cl)cc2c1OC=CC(C(=O)Nc1ncc(Cc3ccc(F)cc3)s1)=C2 15838696 JGFKXVWNRATRRI-UHFFFAOYSA-N 442.899 5.463 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCC(c2nc3ccccc3s2)CC1 16061495 CZHCTUHZLDXQKC-UHFFFAOYSA-N 425.604 5.810 0 40 IKAB CCOc1ccccc1NC(=O)Cn1nc(-c2ccc(C)cc2)n(-c2ccccc2)c1=S 16769676 DDADICAUOQARFL-UHFFFAOYSA-N 444.560 5.416 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2)nc2c(-c3ccc(C)cc3)csc2c1=O 16846173 FNXSAQCTNSOBLO-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB CCCC[C@H]1c2c([nH]c3ccccc23)[C@@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC 16958515 PMONBFSPMKSPTJ-GQUJEBGOSA-N 444.575 6.153 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cc(Cl)cc(Cl)c1 17095239 FYOLEWNJFZWZFR-DUXPYHPUSA-N 427.114 7.212 0 40 IKAB Cc1c(C(=O)N2CC[C@@H](c3nc(C4CCC4)n4c(C)csc34)C2)[nH]c2ccc(F)cc12 19240501 LUCRRSDZRZOQLE-MRXNPFEDSA-N 436.556 5.530 0 40 IKAB CCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(C(C)C)cc3)cc2Cl)CC1 19630955 BEDIBWDJKKEYOY-KPKJPENVSA-N 439.987 5.174 0 40 IKAB Cc1ccccc1CN1C(=O)CCCC[C@H]2N(C(=O)c3cc4cc(F)ccc4[nH]3)CC[C@]21C 19713701 HOWLQPZCWHKWDG-SHQCIBLASA-N 447.554 5.191 0 40 IKAB 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]3OC(C)=O 19897769 PMJBQFRZSVOFFB-KPFJPCAESA-N 448.644 5.137 0 40 IKAB biogenic,in-vitro Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1 20110692 AUKBNGAPKKUQGJ-HSZRJFAPSA-N 436.577 5.313 0 40 IKAB C[C@@]12C[C@@H](c3ccccc3O1)N(C(=O)c1ccc(F)cc1)C(=O)N2c1ccc(Cl)cc1 20131233 WOXKMXXDBRFTMK-RDPSFJRHSA-N 436.870 5.802 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 20610659 RAUQCOVIIDLVKI-UHFFFAOYSA-N 442.563 5.859 0 40 IKAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 20634845 FVNHAYIDFBEGMK-INIZCTEOSA-N 429.911 5.346 0 40 IKAB CCc1ccc([C@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 20970401 VLXWZWJJQZWFIW-DEOSSOPVSA-N 442.950 6.180 0 40 IKAB CCC[C@@H](OC(=O)NCCCCNC(=O)O[C@H](CCC)c1ccccc1)c1ccccc1 21965984 APQQRIFXVFPSKE-DNQXCXABSA-N 440.584 6.302 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072312 CRSVWQBZTBKVDI-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB CCOc1cc(CN[C@@H](C)c2ccccc2)ccc1OCc1ccc(Cl)cc1Cl 22074150 SUMIOHNHGAUQCP-KRWDZBQOSA-N 430.375 6.822 0 40 IKAB COc1ccc(N(Cc2nc(-c3cccs3)oc2C)S(=O)(=O)c2ccccc2)cc1 23607681 WDZWEXQPBCZTOM-UHFFFAOYSA-N 440.546 5.116 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013254 HEQBMILVWDTSAU-AREMUKBSSA-N 440.547 5.128 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1Cc1ccccc1Cl 32609555 GCJMBXYFFPOXDN-OAQYLSRUSA-N 436.294 5.845 0 40 IKAB O=C(Cc1noc2ccccc12)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 32747496 VGNYADOLDZRRPU-IBGZPJMESA-N 429.907 5.453 0 40 IKAB CC(C)C[C@@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3cccc(Cl)c3)o2)SC1=S 35039690 XMVUPQHRMOILMX-HAKPAVFJSA-N 435.954 5.301 0 40 IKAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@H](c2nc3ccccc3s2)C1 36321640 YVMWNDCPJMVOFO-PMACEKPBSA-N 448.636 5.493 0 40 IKAB COc1ccc(/C=C2\C[C@@H]3[C@H]4CCc5cc(OC)ccc5[C@@H]4CC[C@]3(C)[C@H]2OC(C)=O)cc1 36612191 JPPVXERJZNMYHM-JAZPUKMVSA-N 446.587 6.185 0 40 IKAB O=C(Nc1ccc(Cn2cnc(C(=O)Nc3cccc(F)c3)c2)cc1)c1ccc(Cl)cc1 49421938 ASYYIJYHEXCBPX-UHFFFAOYSA-N 448.885 5.229 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)c(C)c1 58324643 PLBNPXVJIWAREX-RJAVSUSUSA-N 444.619 5.547 0 40 IKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCC[C@@H](C5OCCO5)C4)c23)cc1 69240053 HGOFUORYSLXYMS-GOSISDBHSA-N 444.560 5.010 0 40 IKAB O=C(c1ccccc1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 72378312 KPIQDIMOFCLTAR-NRFANRHFSA-N 429.442 5.027 0 40 IKAB CSc1ccc(-c2ccc(=O)n(CC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 72400996 MDBSAYPYANEDRT-UHFFFAOYSA-N 443.528 5.063 0 40 IKAB Cc1ccc([C@@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)NCc2ccccc2)cc1 97104915 AVOUREOPWHVWMR-VWLOTQADSA-N 428.605 5.287 0 40 IKAB COc1cccc([C@@H]2Nc3ccccc3N=C3C[C@@H](c4ccc(Cl)cc4)CC(O)=C32)c1 100426884 GEBFSSNLCIRKTA-DWXRJYCRSA-N 430.935 6.978 0 40 IKAB CC(C)c1ccc(/C=C2/CSCC3=C2NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 104310372 VWMQARYYHFGNNJ-RWTNITNYSA-N 434.674 6.537 0 40 IKAB Cc1ccc(-c2noc(CN(C)C(=O)c3cc(Cl)ccc3OCc3ccccc3)n2)cc1 219775744 HLTSURFDUJAQRS-UHFFFAOYSA-N 447.922 5.550 0 40 IKAB C[C@H](NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1)c1ccc(Cl)cc1 223081701 KGPRSMZXQJSRHZ-INIZCTEOSA-N 436.914 5.563 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 223153353 CLJABEINGWPXGV-LJQANCHMSA-N 433.523 5.367 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)cc2C)cc1 223193165 HAKULSGJBJYXIL-IBGZPJMESA-N 448.588 5.084 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1Cl 223649030 OQSWIEDRBTXLIM-UHFFFAOYSA-N 431.985 5.617 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223817300 FAZHSDYRFBQRGR-AREMUKBSSA-N 448.582 5.635 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 224008987 YGQLRUVGHFDFON-MHZLTWQESA-N 442.603 5.012 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)c1 224539308 GPUDICADHMQNPW-DNQXCXABSA-N 432.593 5.574 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)s1 224625529 WFKKIVKUDRLQPV-DNQXCXABSA-N 443.597 6.421 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 224657001 XNJLYWVICCWTSG-VWLOTQADSA-N 438.612 5.077 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCc1cccc2ccccc12 224663029 QIBTZNUQSMSRQO-MHZLTWQESA-N 444.619 5.660 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3c(C)cc(C)cc3C)o2)cc1 224922817 AQKNEPQUUUZKFN-UHFFFAOYSA-N 426.516 6.585 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 225059312 WTDXBUNLIGDMKL-IBGZPJMESA-N 436.577 5.158 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 225140690 SNCLMXBZAULUHC-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccc(C)cc1 225173205 DEFVYEZCXOBNCD-OALUTQOASA-N 447.044 5.214 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225195765 FNIADZDRJBHVLE-NRFANRHFSA-N 433.017 5.156 0 40 IKAB Cc1ccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@H](C)C(=O)NC(C)C)cc1 225530330 CSWBYSXSRDCFCP-HSZRJFAPSA-N 442.603 5.459 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 225553279 HTVZOKUUQZLKOD-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 225650261 SBASACATQUHOBF-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CC[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(OC)c(OC)c1 225719046 AMNHIVOBVYTSGW-HNNXBMFYSA-N 432.895 5.814 0 40 IKAB O=c1sc2cc(S(=O)(=O)Nc3ccc4ccccc4c3)ccc2n1Cc1ccccc1 225738788 VMBKZQUXFYKAJO-UHFFFAOYSA-N 446.553 5.065 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccccc4C(=O)O)C[C@@H]3C[C@@H]21 257243117 IFOAVRZNDUTLOA-NGXQKHRBSA-N 441.955 5.178 0 40 IKAB Clc1cc(NCc2ccc(OCc3ccccc3Cl)cc2)ccc1Br 408556129 HWFLZNMPNSYAIU-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(Cl)cccc2Cl)cc1 408674757 CECKLTUETMBDFV-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(C)c(C)c3)nn2-c2ccc(C)c(Cl)c2)cc1 408693823 FKCFQXNWKRRYNZ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3C)n2)cc1 408694674 LRMOEEUSKAKOMM-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(Cl)cc3)n2)cc1 408695854 UBJNFLQFNRMEQA-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)c1 408698358 MVNHIGZWMGYQMQ-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)NC(SCc2cccc(F)c2)=N1 408989558 LGLLEQQFLCVOCG-HSZRJFAPSA-N 431.536 5.672 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2C)c2cc(C)ccc2C)cc1 409027408 DAXKINKMXRSPHL-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Br)ccc2OCc2ccc(C)cc2)C1=O 409098583 QSUWSXYSMNYCEZ-WOJGMQOQSA-N 432.339 5.393 0 40 IKAB Cc1ccc(C)c(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)c1 409112152 KKEGQSWWGDUDPS-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cn(Cc3c(F)cccc3Cl)c3ccccc23)C1=O 409122781 BOQQWLOADZQXNV-MTJSOVHGSA-N 442.943 6.319 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409158171 SEPKVFBRLXVHHM-VCRXTVNUSA-N 446.366 5.863 0 40 IKAB COc1cc(CNc2ccccc2Cl)cc(Cl)c1OCC(=O)Nc1ccccc1 409253052 FZEHUUZNOQQJOG-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4cnc5ccccc5c4)C3)c2C)cc1 585294155 RMBAVDWVQUNYSU-NRFANRHFSA-N 436.555 5.924 0 40 IKAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(COc2cc(Cl)ccc2Cl)cc1 651123 HLGYRWLDFVGLBG-UHFFFAOYSA-N 425.315 5.984 0 40 IKAB COc1ccc(Nc2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1 856330 PUTLPUINIRGOOO-UHFFFAOYSA-N 429.295 5.431 0 40 IKAB O=C(c1ccccc1Cl)N(CC(=O)N(c1ccccc1)c1ccccc1)Cc1ccco1 862937 DNDDSNHZUHMEKA-UHFFFAOYSA-N 444.918 5.940 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3C)nnc2-c2cccnc2)cc1 873222 MLEYOGZKTWOUEO-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3cc(C)cc(C)c3[nH]c2=O)C2CCCCC2)cc1 875485 UXTRKWREMNUBPC-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(Cl)cc1Cl 960084 DFFUZPJSISIHJN-UHFFFAOYSA-N 440.282 5.051 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)C(=O)Nc3ccccc3F)cc2c1 1353190 ASBJSWBDGZDXTK-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@H](C(=O)NC2CCCC2)c2ccccc2)s1 1367157 RNJRCIOCSSKHQG-QFIPXVFZSA-N 433.577 5.207 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1nc(-c2ccccc2Cl)cs1 1392109 DXTVITRHZYBARQ-UHFFFAOYSA-N 439.787 5.957 0 40 IKAB COc1ccc(-c2nnnn2-c2cc(OCc3ccccc3)c(Cl)cc2Cl)cc1 1392329 HDVNGMKATKVEEX-UHFFFAOYSA-N 427.291 5.224 0 40 IKAB COc1cccc(-c2nc(C(=O)NCc3ccccc3OC)cc3c2[nH]c2ccccc23)c1 2112746 VBIYEQOGRJPFBW-UHFFFAOYSA-N 437.499 5.330 0 40 IKAB biogenic COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3cccc(Cl)c3)n2)cc1 2118565 CBMHYFCHMDNNFE-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic CC1(C)C[C@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)CSC1=NCCS1 2279644 SPGPWZGNCAFRCU-HSZRJFAPSA-N 445.053 5.997 0 40 IKAB CC(C)C[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2Cl)o1 2422354 LRIZWYMSFBJHGQ-HNNXBMFYSA-N 446.400 6.281 0 40 IKAB CCOc1ccc(C(=O)c2cnc3ccccc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 2715779 CIXCXJJWQTTZDL-UHFFFAOYSA-N 445.540 5.314 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(OCc4c(Cl)cccc4Cl)ccc3o2)cc1 2886915 CWKIJXAVUVFWKW-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)C1CCCCC1 3254445 NHSJQZDZBOYYPE-IBGZPJMESA-N 439.861 6.162 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@H](OC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1 3360643 SIWJQHNCCWHAQY-AREMUKBSSA-N 441.502 6.286 0 40 IKAB C[C@H]1C(=O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 4722964 OFMXGFHWLZPCFL-YXKWRZELSA-N 426.729 8.457 0 40 IKAB biogenic,in-vitro Cc1cc(C)c(C)c(C(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1C 4848626 YYZYDMRAIGADBP-UHFFFAOYSA-N 425.597 7.034 0 40 IKAB Cc1ccc(-c2cc(-c3ccccc3)c3c(N)c(C(=O)Nc4cccc(C)c4)sc3n2)cc1 6246373 SFPQKXRIBUMYEO-UHFFFAOYSA-N 449.579 7.082 0 40 IKAB COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCCC3)cc1 8445640 PPCMTSSQGBWPLC-UHFFFAOYSA-N 448.588 5.768 0 40 IKAB Cc1cccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)c1 8612306 TZMMYAREDFKKQA-UHFFFAOYSA-N 438.439 5.352 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@H]3c2cccc(F)c2)o1 8717619 MIHQNVGYNIPBET-GHTZIAJQSA-N 427.273 5.732 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 8750139 OCLYSLYQUUXRES-UHFFFAOYSA-N 449.963 5.137 0 40 IKAB O=C(NCCCc1nc2ccccc2n1CCCOc1ccc(Cl)cc1)c1ccco1 8756395 ZBDVVVWLKRFDPH-UHFFFAOYSA-N 437.927 5.114 0 40 IKAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccc(C(=O)c2ccccc2)cc1 8790931 NMNRFCWTUFCTCO-UHFFFAOYSA-N 425.513 5.102 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 8815660 LIMYEGUYRLWQAI-RTBURBONSA-N 449.528 5.351 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)c1cccc2c(Cl)cccc12 8830852 HTAZDBMNNWLPEP-UHFFFAOYSA-N 430.870 5.927 0 40 IKAB Nc1c(C(=O)OCc2ccccc2)c2nc3ccccc3nc2n1-c1cccc(Cl)c1 8836591 CFGNEPRASJLVMV-UHFFFAOYSA-N 428.879 5.166 0 40 IKAB CC(C)N(C(=O)CSc1nc(-c2cccs2)n[nH]1)c1ccc(Nc2ccccc2)cc1 9056832 UWGIWMIVKGPQDN-UHFFFAOYSA-N 449.605 5.811 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 9112224 UJQPAKQYTYVISE-QGZVFWFLSA-N 441.000 5.406 0 40 IKAB Cc1ccc(NC(=O)CSc2ccc(-c3sc(-c4ccccc4)nc3C)nn2)c(C)c1 9116616 HPFJHMSFQNLQQP-UHFFFAOYSA-N 446.601 5.923 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCC(=O)N(C)C)cc1 9226987 BBKNYEXTCNLTBG-HHHXNRCGSA-N 437.543 5.167 0 40 IKAB Cc1ccc2c(c1)C1=C([C@H](c3ccc(C(C)C)cc3)O2)[C@H](c2cccnc2)N2NC=NC2=N1 9293635 HVVUEJNVKJTPPU-UIOOFZCWSA-N 435.531 5.318 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1ccc(Cl)c(Cl)c1 9309360 HZEIGGINWWNEEM-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2cc(C)on2)c1 9450121 WJEQSQSSLCYEFF-QHCPKHFHSA-N 444.487 5.190 0 40 IKAB FC(F)Oc1ccc(NC(=S)Nc2ccc(-c3nnc4n3CCCCC4)cc2)cc1 9507151 KRICHXLOZQKQGK-UHFFFAOYSA-N 429.496 5.082 0 40 IKAB CCOc1ccc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2c1 9525218 DICJNMUDFFJYSB-UHFFFAOYSA-N 445.569 6.152 0 40 IKAB Cc1cc2nc(N(Cc3ccccn3)C(=O)Cc3cccc4ccccc34)sc2cc1C 9545388 NNYJIGWTCCAQPM-UHFFFAOYSA-N 437.568 6.237 0 40 IKAB Cc1sc2nc([C@H](C)Sc3nnc(-c4ccco4)n3-c3ccccc3)[nH]c(=O)c2c1C 9635510 LSRCGLWWHYANHH-AWEZNQCLSA-N 449.561 5.295 0 40 IKAB COc1cc2c(cc1NC(=O)[C@@H](C)OC(=O)c1c(F)cccc1Cl)oc1ccccc12 9665796 SXYQAOVDBGRCOM-GFCCVEGCSA-N 441.842 5.571 0 40 IKAB Cc1cc(C)c2nc(NC(=O)CSc3nnc(-c4cccs4)n3C3CC3)sc2c1 9797788 VOTYSOFQXGVXMK-UHFFFAOYSA-N 441.607 5.299 0 40 IKAB C[C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 9867424 RAKHIKHIRZWRKG-CVEARBPZSA-N 443.576 5.220 0 40 IKAB CCc1cc2c(-c3nn4c(-c5ccc(OC)c(OC)c5)nnc4s3)csc2s1 12377814 XIPCFCLQPFOTRV-UHFFFAOYSA-N 428.564 5.376 0 40 IKAB Cc1ccccc1C(=O)Nc1sc(C)c(C)c1C(=O)c1ccc(Br)cc1 12484652 AIZYKCOPIUNKNZ-UHFFFAOYSA-N 428.351 5.919 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1cc(Br)ccc1OCc1ccc(Cl)cc1 12628134 UUHBBYQNRBAQNX-UNOMPAQXSA-N 440.724 6.174 0 40 IKAB O=C(O)CCn1c(SCc2ncc(-c3ccc(Cl)cc3)o2)nnc1-c1cccs1 12778992 YVFKJZLUCRXBEM-UHFFFAOYSA-N 446.941 5.082 0 40 IKAB Cc1cc2oc(=O)cc(Cn3cnc4scc(-c5ccccc5)c4c3=O)c2cc1Cl 12906714 XQESXIPWJRKSEC-UHFFFAOYSA-N 434.904 5.242 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)[C@@H]1CCCCN1C(=O)c1cccs1 13021156 CAQYMWZHFJLWDY-IBGZPJMESA-N 431.517 5.190 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 13041732 IWELDOOLHSDJTN-UHFFFAOYSA-N 438.176 5.832 0 40 IKAB COc1cccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)c1 13564744 PUSUKJWKGIZGEK-UHFFFAOYSA-N 440.478 5.141 0 40 IKAB CC1(C)c2ccccc2N2CC(=O)N(Cc3ccccc3)[C@@]21/C=C/c1ccccc1Cl 15222440 LOYSAVMNKRHERW-NUKGXUILSA-N 428.963 5.890 0 40 IKAB CCOc1ccc2c(c1)O[C@](c1ccc(C)cc1)(C(F)(F)F)N=C2Nc1ccccc1 15906395 ZCTYVJXHYRMTPJ-HSZRJFAPSA-N 426.438 6.060 0 40 IKAB C1=C[C@@]2(Oc3ccc4ccccc4c31)Oc1ccc3ccccc3c1C=C2Cc1ccccc1 16478815 ZNGAHICLJRUUIT-JGCGQSQUSA-N 438.526 7.814 0 40 IKAB C[C@H](NCc1ccc(OCc2ccc(Cl)cc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 16576198 DSIQBGKJECUQGB-MPVQEXEOSA-N 444.446 7.267 0 40 IKAB O[C@]1(C(F)(F)F)[C@H]2C[C@@H](c3ccccc3)CCC2=NN1c1nc(-c2ccccc2)cs1 16957516 YEJCZMYYHNDOTN-SPEDKVCISA-N 443.494 5.821 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)NCCc3ccccc3)c2c1 16977484 XXVIAOHQHQBNRI-UHFFFAOYSA-N 447.604 5.240 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2ccc(N3CCCC[C@@H]3C)cc2)c1 17094566 PPVMOIQFDCCSEZ-SFHVURJKSA-N 425.598 5.371 0 40 IKAB CCN(CC)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17096363 ZATJQJLKXFAYPP-ZRDIBKRKSA-N 429.347 6.752 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3C(C)C)c(C)o2)cc1 17314944 PHOZISQLFYZESW-UHFFFAOYSA-N 435.549 5.632 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3ncnc4sc(-c5ccccc5)cc34)o2)cc1 17661206 ONPQEBZCZUFKOR-OAHLLOKOSA-N 430.558 6.570 0 40 IKAB C[C@H](c1ccccc1)N1Cc2c(oc3ccccc3c2=O)N(C(=O)OCc2ccccc2)C1 19459461 IPNDWJOYEJLKDN-LJQANCHMSA-N 440.499 5.471 0 40 IKAB COc1cc(C)c(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2C)cc1C 19567349 WILOFJCQXZPGJY-DEOSSOPVSA-N 445.611 5.266 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc3nn(-c4ccc(Cl)cc4)nc3cc2C)cc1 19648331 HIGJWSFOXQTMRO-INIZCTEOSA-N 448.954 5.913 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)o2)cc1C 19928018 YZQBIZAMLGCLDP-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3cccc4ccccc34)c2)CC1 20062641 ONHLQXCDLQGEED-UHFFFAOYSA-N 442.968 5.166 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20141261 KEYZHPBXXOBWBN-UHFFFAOYSA-N 436.689 5.116 0 40 IKAB COc1cccc(NC(=O)c2sc(-c3cccc(OC)c3OC)nc2-c2ccccc2)c1 21474218 BAVJWUKIOWJCHM-UHFFFAOYSA-N 446.528 5.755 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N1CCC[C@H]1c1cccs1 21846155 CLXLEOPOYQGKOW-IBGZPJMESA-N 439.606 5.029 0 40 IKAB CCOc1cc(CNC23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)ccc1OCC(=O)NC(C)(C)C 22074216 WNYNODWPNBTEEB-WXIHSGNDSA-N 442.644 5.217 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)c1nc2ccccc2s1 26968655 RCXBLVFJTYIQEX-UHFFFAOYSA-N 433.480 6.024 0 40 IKAB COc1ccc(NC(=O)c2ccccc2OCc2nc(-c3ccc(C)cc3)no2)c(C)c1 32578860 UYRDJQHYNYNNPY-UHFFFAOYSA-N 429.476 5.193 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(-c2ccc(Br)cc2)o1 32870642 NJMTYAQBCPCXOC-UHFFFAOYSA-N 444.373 5.037 0 40 IKAB Cc1cc(C)nc(SCc2ccccc2C(=O)Nc2nc(-c3cccs3)cs2)n1 32981830 LNEHQBLOYPYHRD-UHFFFAOYSA-N 438.603 5.823 0 40 IKAB Cc1ccccc1[C@H](NC(=O)CSCc1ccc(Br)cc1)c1ccccc1 38752224 YYKZFPMSYHELJM-HSZRJFAPSA-N 440.406 5.897 0 40 IKAB O=C1CCCN1Cc1ccc(-c2ccccc2CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 40050340 NFLMVSUPZUCPTJ-UHFFFAOYSA-N 442.603 5.309 0 40 IKAB CCCCOC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc(C(=O)OC(C)(C)C)c1C 44827163 SITVYJRNYNQYDU-GOSISDBHSA-N 445.537 5.250 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc2C)cc1 44883331 PTFLPJOSVGMDPT-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB O=c1c([C@H]2C[C@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)c(O)oc2ccccc12 87724194 NZOWVZVFSVRNOR-SQHAQQRYSA-N 444.530 7.028 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(OC)cc2)on1)c1ccc(C(C)(C)C)cc1 94992816 AWHQWAPZKNXRGB-DEOSSOPVSA-N 449.595 5.461 0 40 IKAB CC1=CC(C)(C)N([O])c2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 100710960 COEHEEHEHMQZAA-UHFFFAOYSA-N 430.571 7.417 0 40 IKAB CCc1ccc([C@@H]2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@H](c4ccccc4)N3C2=S)cc1 101646773 XZFKBVYYEYUQPB-GSLIJJQTSA-N 436.580 5.740 0 40 IKAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nn(CN2CCCC2)c1=S 102246362 CGEGBWIQBOXSME-CADBVGFASA-N 430.593 5.183 0 40 IKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cccc(I)c3)C2=C(O)C1 102645807 VWQTWKIFPSJYSH-FQEVSTJZSA-N 444.316 6.163 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c(C)c1 108091911 UOTPDSUZMONDJR-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2C)c1 108261518 OMBODXXWTPGMON-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1C 138673412 VISVZTLBXXSSKM-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 223096770 OFVJWAFQUQUFKS-SFHVURJKSA-N 447.044 5.197 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223161120 RAVUIGHYSLMGCZ-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223287161 UOPJQLINYONLDG-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl 223365003 MGRQTPPWZXTVQL-GOTSBHOMSA-N 449.963 6.069 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223832295 VKQPRRDYBSXHBA-GOSISDBHSA-N 445.028 5.298 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(F)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223869296 WOBGAXDRQSXFMT-LJQANCHMSA-N 442.600 5.092 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1Cl 224133980 LKEJYDNPXFHJFB-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3cc(Cl)ccc3OC)ccc2OC)cc1 224267732 UTYFBOYGHOBVQY-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OCC)cc3)o2)cc1 224919583 UJBBQSMAIPVZEW-UHFFFAOYSA-N 428.488 6.058 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3Cl)cc2)c(C)c1 224997932 WWWNAVRCSINHFS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCn1c(=O)sc2cc(NC(=O)CSCc3c(Cl)cccc3Cl)ccc21 225077401 HKMGIDRWJGICJH-UHFFFAOYSA-N 427.378 5.262 0 40 IKAB Cc1ccc(CSCCNC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225576292 AGWCBLCQTIUTLJ-UHFFFAOYSA-N 435.008 5.049 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584223 YFODIKUJKVYSQW-UHFFFAOYSA-N 438.930 6.122 0 40 IKAB C[C@@H](CC(C)(C)c1ccccc1)NC(=S)Nc1ccc(CSc2ccccc2)cc1 225659538 DXLAMKVJSYAUHL-FQEVSTJZSA-N 434.674 7.022 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=S)N[C@H](C)c2ccc(OCC)c(OCC)c2)c1 225751265 WEJUCTIPZFTKIJ-MRXNPFEDSA-N 430.570 5.017 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1cc(Cl)c(C)cc1N 226349838 NJCLYGZAVOUJHB-UHFFFAOYSA-N 448.542 5.017 0 40 IKAB Nc1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)c(Cl)c1 227157818 OFCSCBJLTQHBOS-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C(C)C)c(C)c1 252479643 BJDGBOBQDNNPEL-UHFFFAOYSA-N 446.576 5.320 0 40 IKAB O=C(O)c1cnc(N2CCC[C@@H]2c2cccc(F)c2)nc1COc1ccc2c(c1)CCCC2 257201778 AJAPDELZIFHLIL-XMMPIXPASA-N 447.510 5.113 0 40 IKAB Cc1c(C)n(C)c2ccc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc12 257320389 VWPHSJHCSOSMCI-QFIPXVFZSA-N 441.550 6.016 0 40 IKAB O=C(c1ccc(CSc2ccccc2)cc1)N1CCN(C/C=C/c2ccccc2)CC1 408562600 CZWYKUJVSTUNPD-JXMROGBWSA-N 428.601 5.450 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(Cl)cc2)n(-c2cc(C)ccc2C)n1 408698384 NEIQGCOOKBTHHX-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccccc3)n2)cc1C 408728056 ZLSZQEVKXRIXEL-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB COc1ccccc1OCc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)cs2)cc1 409182967 PTDZFZOKWNQXAV-UHFFFAOYSA-N 444.556 6.267 0 40 IKAB Cc1ccc(OCCCSc2nc3sc(C)c(C)c3c(=O)n2-c2ccccc2)cc1 409197371 DAHWZKKKFDVGLL-UHFFFAOYSA-N 436.602 5.934 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccccc2OCc2cccc3ccccc23)C1=O 409247857 OLGOIMKMSJMGIM-XQNSMLJCSA-N 433.529 5.492 0 40 IKAB Cc1ccc(OCc2nc(-c3cc(C)ccc3OCc3ccccc3)ccc2C(=O)O)cc1 585265361 MTPMFQJTATXTIK-UHFFFAOYSA-N 439.511 6.222 0 40 IKAB O=C(CCc1ccccc1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 643550597 KWYQREKWMORGAF-FQEVSTJZSA-N 444.966 5.389 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3nc(-c4ccc(OC)cc4)c(C)s3)c2C)cc1 643586981 OFSQKYKAWVENLI-UHFFFAOYSA-N 444.556 6.363 0 40 IKAB CCO[C](COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)O)c(C)c1 1560403784 ARRMOIRIOYSODQ-UHFFFAOYSA-N 443.463 5.217 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)ccc1Br 850436 VKLXNSFBSCLQMF-UHFFFAOYSA-N 446.341 5.265 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 868712 FBZGNIPXULDFQQ-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB Cc1oc2cc(OCC(=O)OCc3ccccc3)ccc2c(=O)c1-c1ccc(Cl)cc1 1447922 IXQJHRCOVGYKDD-UHFFFAOYSA-N 434.875 5.544 0 40 IKAB biogenic COc1ccc(Cn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1OC 1452870 JCDLOJZKKLFNNI-UHFFFAOYSA-N 430.548 5.978 0 40 IKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(OCc2ccccc2Cl)cc1 1769206 IAYQGJKZPQCMNF-UHFFFAOYSA-N 446.934 6.696 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Sc2ncnc3sc4c(c23)CCCC4)cc1 1901837 IRXLXVUTJMLLAK-UHFFFAOYSA-N 447.585 5.982 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)Nc2cc(C(=O)NC3CCCCC3)ccc2Cl)cc1 2069826 GVARCIAPVXQICX-GOSISDBHSA-N 441.015 6.343 0 40 IKAB CCCCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCCC2)cc1 2257943 CKEIDZLJQUDBJB-UHFFFAOYSA-N 438.575 6.395 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N[C@@H](c2ccccc2)C2CCCC2)c(C(C)C)c1 2376441 OXJKBPPLKHKAIP-SANMLTNESA-N 441.681 7.267 0 40 IKAB Cc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(F)cc4)cc2-3)OCO5)cc1C 2690103 HDZKASDJEOLLKW-UHFFFAOYSA-N 425.463 5.736 0 40 IKAB Clc1ccc(-n2cc(-c3ccccc3)c3c(NCc4cccc(Cl)c4)ncnc32)cc1 2714999 DIIOQEVMNKNZNK-UHFFFAOYSA-N 445.353 7.006 0 40 IKAB C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 2974919 GGYIHUAHJDCRLH-GHTZIAJQSA-N 445.010 7.368 0 40 IKAB Cc1ccccc1-n1nnnc1S[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 3314978 UMZLTGHOTFZNRB-QHCPKHFHSA-N 425.517 5.168 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nnc(-c3cccs3)o2)n1Cc1ccccc1 3536007 VJUBZZAEWJQORR-UHFFFAOYSA-N 449.536 5.536 0 40 IKAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1ccc(Cl)c(Cl)c1 3644815 XTQDHVYLINVPRI-UHFFFAOYSA-N 445.371 5.156 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C)C(C)C 4074063 BYLDLYWTMFKRNR-GSFBUCGTSA-N 430.717 6.997 0 40 IKAB biogenic CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)c2C(=O)OC)C1 4646523 GPUFBDGDSHCGJK-QRQLOZEOSA-N 425.594 5.818 0 40 IKAB CCOc1ccc2nc3sc(C(=O)Nc4ccccc4-c4ccccc4)c(N)c3cc2c1 6134275 NYOUSEQEVCSMJU-UHFFFAOYSA-N 439.540 6.350 0 40 IKAB CCOc1cc(/C=C/C(=O)Nc2c(C)cccc2C(C)C)ccc1OCc1ccccc1 6882104 ZNXVAAYDNGMHRN-BMRADRMJSA-N 429.560 6.748 0 40 IKAB Clc1ccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)c(Cl)c1 8431829 NGNUDGYXSHASJF-UHFFFAOYSA-N 445.147 7.110 0 40 IKAB CC1=C(C(=O)Nc2ccccc2)[C@H](C(C)C)n2nc(SCc3ccccc3C)nc2N1 8594821 GFWOKRCOVKZGSE-NRFANRHFSA-N 433.581 5.414 0 40 IKAB aggregator Clc1ccc(Cn2c(COc3cccc4ccccc34)nc3ccccc32)c(Cl)c1 8846484 AOEWERCIDINZKK-UHFFFAOYSA-N 433.338 7.124 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)cc1 8902969 RDXCEOOZWWSGAB-UHFFFAOYSA-N 446.550 7.389 0 40 IKAB CCc1ccc(C(=O)CSc2nnc(COc3ccccc3Cl)n2C2CC2)s1 9056691 JCTPYVYEWVRPSL-UHFFFAOYSA-N 433.986 5.444 0 40 IKAB Cc1ccc(OCc2nc3c4c(ncn3n2)Oc2cc(O)ccc2[C@H]4c2ccccc2)cc1 9192202 KCJYETCVDAPIKX-HSZRJFAPSA-N 436.471 5.003 0 40 IKAB O=C(CSc1ncnc2c1cnn2-c1ccccc1)Nc1ccccc1-c1ccccc1 9479492 MOEOGRDISJTPPM-UHFFFAOYSA-N 437.528 5.213 0 40 IKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCc2cccc3ccccc23)nn1 9578083 JDEDWDYOTHMLHC-UHFFFAOYSA-N 431.611 7.083 0 40 IKAB O=C(c1csc(Nc2ccc(Cl)c(Cl)c2)n1)N1CCN(c2ccccc2)CC1 9763786 WPCPQRVZEOAGMD-UHFFFAOYSA-N 433.364 5.156 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1NC(=O)c1ccc(Cl)cc1 10060017 XNMBUAILYMYXNZ-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB C[C@H](NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)c1ccc(Br)cc1 10219608 UXTWOSOINHZVJQ-INIZCTEOSA-N 447.336 5.188 0 40 IKAB C=Cc1ccc(COc2ccc(-c3ncnc(C(F)(F)F)c3-c3ccccc3)c(O)c2)cc1 11866303 WCZNWSGKWDTWAF-UHFFFAOYSA-N 448.444 6.757 0 40 IKAB biogenic Cc1cc(OCCCC(=O)OCc2cc(=O)oc3cc(C)c(C(C)C)cc23)ccc1Cl 12598842 JQIRBLGMHXXEOX-UHFFFAOYSA-N 442.939 6.089 0 40 IKAB Cc1ccc(-c2csc(CC3=NC(=O)[C@H](CC(=O)Nc4ccccc4C)S3)n2)cc1 12793430 OHJNFCSTBRNYDS-IBGZPJMESA-N 435.574 5.039 0 40 IKAB O=C(Nc1ccc(SC(F)F)cc1)[C@@H]1CCCN1C(=O)C12CC3CC(CC(C3)C1)C2 12976399 PAJSKTYDTGXHEB-HAVBXNNZSA-N 434.552 5.147 0 40 IKAB Nn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1Cl 13037787 LXUWDVYKYAYTOE-UHFFFAOYSA-N 434.377 5.382 0 40 IKAB Clc1ccccc1-c1nc(CN2CCC(c3nc4ccccc4s3)CC2)cs1 13076081 ZJMWKJAHUBVCSO-UHFFFAOYSA-N 426.010 6.453 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccc(F)cc1)C1CCCCC1)c1nnnn12 13568286 FQOPREMIQSQBQD-UHFFFAOYSA-N 432.503 5.092 0 40 IKAB COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccc(Cl)c(Cl)c3)C[C@H]21 13598533 WENAUEXWDPYYJE-XXBNENTESA-N 447.362 5.831 0 40 IKAB CCCOc1ccc(NC(=O)c2ccccc2OC(=O)C23CC4CC(CC(C4)C2)C3)cc1 13764856 NDMJZAOFJFUKTN-UHFFFAOYSA-N 433.548 5.850 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c(C)c1 13893200 AJYAEZMGMMVQDL-SANMLTNESA-N 433.935 5.007 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1cc2ccccc2o1 13955790 MHKHVDDEZRLINO-UHFFFAOYSA-N 446.454 5.461 0 40 IKAB Cc1ccc2c(C(=O)CN3CCC4(CC3)CC(=O)c3cc(Cl)ccc3O4)c(C)[nH]c2c1 13999762 MEHDSCGJRRZHFW-UHFFFAOYSA-N 436.939 5.121 0 40 IKAB O=C(Cc1sc(Nc2ccccc2)nc1-c1ccccc1)Nc1ccc2c(c1)OCO2 16051134 UOGXOQFRUPXYLJ-UHFFFAOYSA-N 429.501 5.464 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)c(Cl)c1 16196323 SRZLJPFFQRBTIR-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)c1 16610891 MOMYWCZATVTTRB-RTBURBONSA-N 442.559 7.438 0 40 IKAB CN1CCN(c2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4Cl)o3)cc2)CC1 17096778 OBMNYDAKKMFGMT-UHFFFAOYSA-N 430.335 5.258 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)c1 17099820 PNOVXXYEKMAQKL-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccc(-c2nnc3sc(C(c4ccccc4)c4ccccc4)nn23)cc1OC 17172989 UYOHKTSDVYMPKJ-UHFFFAOYSA-N 428.517 5.050 0 40 IKAB COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4ccccc4C)C[C@H]23)cc1 19237242 XXCBTOFZDBRSMP-JCYYIGJDSA-N 440.587 5.134 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccccc1 20233677 CLTGSSORPNFRSS-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@@H](c2ccc(Cl)cc2)C4)c1 20632534 PVNHJWRDWHZURS-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB c1ccc(-c2csc3nc(-c4cccnc4)nc(NCc4nnc5ccccn45)c23)cc1 20669229 BRPTXTWFSFROBD-UHFFFAOYSA-N 435.516 5.075 0 40 IKAB COc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=S)NC(=O)c1ccc(Cl)cc1 21580088 ICERBNNBGOXVAU-UHFFFAOYSA-N 436.924 5.019 0 40 IKAB Clc1ccc(COc2ccc3ccccc3c2CNC2CCCCCCC2)c(Cl)c1 22076297 UOQFVTYDYCBVIG-UHFFFAOYSA-N 442.430 7.928 0 40 IKAB CCCn1c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)nc2ccc(C(F)(F)F)cc21 23636122 INBGSIFVUYAENP-LBPRGKRZSA-N 432.471 5.555 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)NCc1cccc(C(F)(F)F)c1 25390034 FFJXFTHACLBBQN-UHFFFAOYSA-N 428.479 6.015 0 40 IKAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 26531289 PGFXVHXFSPUSLB-UHFFFAOYSA-N 437.433 5.361 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c2ccccc12)N[C@@H]1CCOc2ccccc21 27354784 WYGLEFIAGWCHAV-OAQYLSRUSA-N 427.529 5.029 0 40 IKAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 30758171 QZSWZAQECBEQBZ-IBGZPJMESA-N 428.381 5.209 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F 32072538 YBZVMXVYYSMZIS-INIZCTEOSA-N 448.832 5.702 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2cccc3ccccc23)sc2c1CCCC2 32692432 RJEBHESAFLCEBT-UHFFFAOYSA-N 425.575 5.688 0 40 IKAB O=C(Nc1ccc(OC(F)F)c(Cc2ccccc2)c1)C1(c2ccccc2)CCOCC1 32822749 BOWLKIVMRVAMAU-UHFFFAOYSA-N 437.486 5.566 0 40 IKAB FC(F)(F)c1nc(SC[C@@H]2CSc3nnc(-c4ccccc4)n32)c2ccccc2n1 32906014 AIBVJYSNGYIILL-CYBMUJFWSA-N 445.495 5.346 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)Nc1nc(-c2ccc(C3CCCCC3)cc2)cs1 35334815 OSJYKNUVMMXTPY-UHFFFAOYSA-N 448.617 6.465 0 40 IKAB CCc1c(C(=O)Nc2cc(C)ccc2C)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639814 GTPUVLXFBOAQJS-UHFFFAOYSA-N 437.503 5.507 0 40 IKAB O=C(O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 38528923 ZVVZCIYXWWJGCS-DHIUTWEWSA-N 431.513 5.136 0 40 IKAB Cc1cc(C)cc(Nc2ccn(-c3nc(-c4ccccc4)oc3-c3ccccc3)c(=O)n2)c1 58161670 UMGVOTHRSZGMEK-UHFFFAOYSA-N 434.499 5.915 0 40 IKAB CCCC[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 58171226 VKDRJQVOHSNNQX-OAQYLSRUSA-N 448.394 5.521 0 40 IKAB Fc1ccc(-c2nnn3c2nc(NCc2cccc(Br)c2)c2ccccc23)cc1 67261399 DPXXFYPFEOEPBE-UHFFFAOYSA-N 448.299 5.458 0 40 IKAB O=S(=O)(c1ccc(F)c(F)c1)c1cnc2c(F)cccc2c1-c1ccc(Cl)cc1 67335424 HIFUQJQLKLBORK-UHFFFAOYSA-N 433.838 5.805 0 40 IKAB O=C1c2ccccc2C(=O)N1Cc1ccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)cc1 71405328 RDOZYSPYQDCINW-UHFFFAOYSA-N 440.480 5.002 0 40 IKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72230085 KBAOWCPUHIXXOU-HHHXNRCGSA-N 443.930 6.106 0 40 IKAB Cc1ccc(/C=C(/c2nnc(Nc3ccccc3)o2)S(=O)(=O)c2ccc(C)cc2)cc1 82087227 ZARHCFLADLYWLL-JWGURIENSA-N 431.517 5.402 0 40 IKAB Cc1ccc2c(-c3cc4c(CNCCc5ccccc5)cnc(C)c4o3)cc(=O)oc2c1C 96115105 LIMUUHYQJIUZHT-UHFFFAOYSA-N 438.527 5.859 0 40 IKAB biogenic O=C(c1cccc(I)c1)N(Cc1ccccc1)Cc1ccccc1 98065204 VLXMOTPHQSBDPY-UHFFFAOYSA-N 427.285 5.134 0 40 IKAB CC(C)(C)NC(=O)[C@H]1[C@@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C 100398385 CRSMIGCCDJDVOE-WJPVBLRZSA-N 426.560 5.497 0 40 IKAB CCCCCCn1c(=O)c(C(=O)Nc2nc(-c3ccccc3)cs2)c(O)c2ccccc21 100504362 VZZLWEHVDOEYMR-UHFFFAOYSA-N 447.560 5.663 0 40 IKAB CCn1c(-c2ccc(S(=O)(=O)N3CCCCCC3)cc2)cs/c1=N/c1ccccc1 101336833 LKWGGXYNUDFHPC-WCWDXBQESA-N 441.622 5.034 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)OCC(=O)O[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)c1C 102222960 ZHORDEJFMUGINL-CTIGNXTNSA-N 437.580 6.208 0 40 IKAB C/C(=C\CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)c1ccccc1 118915967 KGICHBLSYNZKLD-ABYOWSIUSA-N 446.719 8.446 0 40 IKAB O=C(COC(=O)[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(Cl)cc1Cl 138812991 IAANIILWPQCRCO-PBFVBANWSA-N 446.330 5.020 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1O[C@@H](C)CC 214634750 MOPJMKAZXSQSBU-NIZGNDASSA-N 425.550 5.808 0 40 IKAB O=C1S/C(=C/c2ccc(Br)cc2)C(=O)N1Cc1ccc(F)cc1Cl 215262412 SHQRWRKGQJKWID-VIZOYTHASA-N 426.694 5.478 0 40 IKAB COc1cccc(CN(C(=O)CCc2cccc3ccccc23)[C@H](C)C(=O)NC(C)(C)C)c1 223056008 JUSCKFXJGRVZFO-HXUWFJFHSA-N 446.591 5.113 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223850223 OWDWABFMVXRGTG-DNQXCXABSA-N 426.545 5.063 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223905524 HCYRXFWWTSLLCF-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1 223947857 QYYGVKJHRXBCLZ-HXUWFJFHSA-N 430.614 5.359 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223966272 QJALSUKOSXPVQU-UHFFFAOYSA-N 426.513 5.311 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1C 223993285 PRVUFLKXXUHSRB-VNLJKWRZSA-N 446.572 5.030 0 40 IKAB Cc1cc(C(=O)NCc2ccc(C(C)(C)C)cc2)ccc1NS(=O)(=O)c1ccccc1 224088180 AZUKWLQZGMNKFY-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 224170901 DQQJZZXBQUSPCE-MHZLTWQESA-N 442.603 5.461 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1CSc1ccccc1 224324612 JDMSROBNLSFWBQ-UHFFFAOYSA-N 428.351 6.002 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 224537285 WRYGEUATYHCNOI-UHFFFAOYSA-N 429.004 5.045 0 40 IKAB CCN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224628287 KEWJHBFKDWHBGS-UHFFFAOYSA-N 429.152 5.524 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1 224689113 YARDLIKLZIYCLA-OAQYLSRUSA-N 435.395 5.116 0 40 IKAB Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224693899 KZNOVVMGYZOLMC-QFIPXVFZSA-N 436.596 5.020 0 40 IKAB C[C@@H](NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1)c1ccccc1 224940389 OJDGFNZHADOMPK-MRXNPFEDSA-N 447.332 6.262 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225134808 RSCOXUZDQHSMMS-ZWKOTPCHSA-N 433.017 5.073 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225195067 ONWISFNJGCTYFH-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CC(C)Oc1cccc(NC(=S)NCCSCc2c(Cl)cccc2Cl)c1 225365914 YWQHWKPJYAHZPJ-UHFFFAOYSA-N 429.438 6.000 0 40 IKAB Cc1ccccc1[C@@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225507280 YFAARSNAZIHQTK-VWLOTQADSA-N 443.616 5.697 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225616340 OJRMEKCLUIEMGN-GCJKJVERSA-N 447.044 5.544 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 225643489 HHZNTIGCDHZAKP-XXBNENTESA-N 444.616 5.089 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 225668537 VKICQQPXOFWEAF-OAQYLSRUSA-N 439.943 5.085 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 253497741 AHQGBTJUQBJWCN-NHCJRXCKSA-N 436.592 6.107 0 40 IKAB CC(C)c1ccc(CN(Cc2ccccc2)C(=O)COc2c(F)cccc2C(=O)O)cc1 257227458 FPKAXRGABYTNQS-UHFFFAOYSA-N 435.495 5.255 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)NC(C)C)CCN(C(=O)CC(C)C)CC1 257258819 KVRIWBMWTFYQRU-UHFFFAOYSA-N 434.624 5.384 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257283369 OXZLOINBFFSXBL-JOCHJYFZSA-N 436.555 5.084 0 40 IKAB Cc1ncccc1C(=O)NC[C@H]1CC[C@H](c2nc(C(C)C)ncc2-c2ccncc2)CC1 257294413 QTZXPRIJPSAGHF-XUTJKUGGSA-N 429.568 5.069 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C(=O)Nc3c(C)cccc3C(C)C)C2)c(C)c1 408556250 ZTPGTCDYVWLUOF-OAQYLSRUSA-N 442.625 5.083 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1nc2ccc(Cl)cc2s1 408571759 FICBVLHUFYLJIF-DHZHZOJOSA-N 439.949 5.736 0 40 IKAB Fc1ccccc1COc1c(Cl)cc(CNc2ccc(Cl)cc2Cl)cc1Cl 408604040 CXZKLJTVJOIJMM-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408640155 HMZBDGRMMKIFPU-LLVKDONJSA-N 442.140 5.056 0 40 IKAB COC(=O)c1cccc(NC(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c1 408682217 KJKQTQUHYMGTFC-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2cccc(C)c2C)cc1 408697064 GWIVYUVVHHYMNH-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)N(C)C1=S 409036533 ROPJWVTWYHXJMN-PXNMLYILSA-N 441.767 5.255 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1cc(C)ccc1C 409119911 UHWFUXXQKQSUQF-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB S=C(c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)N1CCc2ccccc2C1 409206226 WHDYPBIFHONMQD-UHFFFAOYSA-N 428.384 6.306 0 40 IKAB Cc1cccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c1C 409353352 JKQQXZBUOJQJLW-WSDLNYQXSA-N 447.560 5.514 0 40 IKAB CC(C)CC(=O)N1CCCCCCCCN(C(=O)CCC2CCCC2)Cc2ccccc21 2037884743 AGIIQPHJKXFURQ-UHFFFAOYSA-N 440.672 6.719 0 40 IKAB CCCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc2ccccc2c1 684698 WORFYTQQZLFLKG-DEOSSOPVSA-N 442.544 5.638 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)Nc1cccnc1Cl 900406 LMTRXEWQDBZZLY-UHFFFAOYSA-N 430.864 5.003 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2ccc(Cl)c(Cl)c2)n2ncnc2N1 954660 MHZKIOUYNCQELS-QGZVFWFLSA-N 434.714 5.166 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2cccs2)c(C)c1 1380091 HCPUYLJJGLWRJE-QHCPKHFHSA-N 436.577 5.713 0 40 IKAB CC(C)[C@@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 2177306 PFRCVDFDQAASQQ-WXPCENJTSA-N 436.382 7.111 0 40 IKAB CC[C@@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@H](c3cccc(Cl)c3)N2C1=O 2255353 LVWGRGMQWYVKHX-ICSRJNTNSA-N 440.952 5.122 0 40 IKAB CC1(C)Cc2c(c(-c3ccccc3)nc3sc4c(NC[C@H]5CCCO5)ncnc4c23)CO1 2272792 VGBQUGJXWKFSHG-MRXNPFEDSA-N 446.576 5.349 0 40 IKAB CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(NCC5CCCC5)ncnc4c23)CO1 2292381 KBWNISFEGHKPRC-UHFFFAOYSA-N 434.565 5.953 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2c(C)cccc2C)cc1 2364894 OIGFAJHJFDMGMS-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB COc1cccc(-c2nc(Oc3ccc(C(C)(C)C)cc3Cl)c3ccccc3n2)c1O 2408543 GWJWRIHNRYLGPA-UHFFFAOYSA-N 434.923 6.754 0 40 IKAB CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccccc3)cnc3ccc(C)cc23)cc1 2715788 WNQOYHZRSMRTPD-UHFFFAOYSA-N 431.513 5.006 0 40 IKAB COc1ccc(C2N(c3cccc(C)c3)CCN2c2cccc(C)c2)cc1Br 3107700 YJJIRSFUZSEWCZ-UHFFFAOYSA-N 437.381 6.100 0 40 IKAB CC(C)(C)[C@H]1CCc2nc3ccccc3c(C(=O)OCC(=O)c3ccc(Cl)s3)c2C1 3312143 FHWQRCQBMUWQPQ-AWEZNQCLSA-N 441.980 6.140 0 40 IKAB C[C@@H](OC(=O)CSC(c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1 3333101 NNVKXEAGBDSWBB-QGZVFWFLSA-N 430.529 5.050 0 40 IKAB O=S1(=O)c2cccc3cccc(c23)N1CCCC(c1ccc(F)cc1)c1ccc(F)cc1 3376321 RADPFGGGBHCUFW-UHFFFAOYSA-N 449.522 6.239 0 40 IKAB CCOC(=O)c1c(Nc2cccc(C(C)=O)c2)nnc(-c2ccccc2)c1-c1ccccc1 6144184 NLBOHVORESJINV-UHFFFAOYSA-N 437.499 5.934 0 40 IKAB CCOc1ccc(-n2c(N)c(-c3nc4ccccc4n3C)c3nc4ccccc4nc32)cc1 8678019 KTXSYRSOTILTLI-UHFFFAOYSA-N 434.503 5.108 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)COc3ccc(C)cc3)cc3sc(=O)oc23)cc1 8869329 PUPCODRAEJSNHD-UHFFFAOYSA-N 436.485 5.213 0 40 IKAB CCn1c(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc2ccccc21 8965767 BYIHVCMXYAWBSV-GOSISDBHSA-N 436.562 5.181 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)ccc1Cl)c1cccc2c(Cl)cccc12 9142417 PKGPTBREPDOCBE-UHFFFAOYSA-N 443.277 6.292 0 40 IKAB COc1cc(NC(C)=O)c([C@@H](c2ccc(-c3ccccc3)cc2)c2ccc(C)o2)cc1OC 9183575 CIFPIGPOZORDLR-MUUNZHRXSA-N 441.527 6.411 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Br)o1)Nc1ccc(F)cc1Cl 9254059 QZIFSXLUUSCBDG-UHFFFAOYSA-N 442.697 5.022 0 40 IKAB COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1ccc(C)cc1Cl 9320531 VKKPTLMEGGYFCG-UHFFFAOYSA-N 435.954 5.273 0 40 IKAB O=c1c2[nH]c3ccccc3c2nc(SCc2cccc(F)c2)n1-c1cccc(Cl)c1 9416444 MIZZOCGVCKMQRH-UHFFFAOYSA-N 435.911 5.952 0 40 IKAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)n1C1CCCCC1 9507729 SBNNJJGCQVPTDK-UHFFFAOYSA-N 427.401 5.375 0 40 IKAB Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3c4ccccc4C[C@@H]3C)c(=O)c3ccccc23)c1 9535130 RNDVDWSQZYBRSK-VQTJNVASSA-N 437.543 5.219 0 40 IKAB Cc1cc(C)cc(Nc2nc(Nc3ccc(Cl)c(Cl)c3)nc(N3CCOCC3)n2)c1 9708832 DSFYXGKNXJGOLW-UHFFFAOYSA-N 445.354 5.119 0 40 IKAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)[C@H](Sc1ccccc1)c1ccccc1 9710041 CYPWOLWRLLVCBI-JOCHJYFZSA-N 427.533 5.147 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)n1Cc1ccccc1)c1ccccc1 9988331 RSYCKXJVIPFJJS-SFHVURJKSA-N 446.551 5.102 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 10697475 LMWUSDFSAOUUHE-XMMPIXPASA-N 428.580 5.128 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)/C=C/c2cccs2)c1 12530979 PFAPJOBEDSSNIW-JLHYYAGUSA-N 446.981 5.269 0 40 IKAB O=C(/C(=C/c1ccc(F)cc1)c1ccc(-c2ccccc2)cc1)N1CCCc2ccccc21 12562461 KDXILXGRWKFOBW-SGWCAAJKSA-N 433.526 7.013 0 40 IKAB CC#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C[C@H](O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@@]21C 12659595 AYNSZTKDERUHKJ-XNZWNJJHSA-N 431.620 5.198 0 40 IKAB biogenic CCc1ccc(-c2nc(CN(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 12756415 VABOTYHPYCOVQQ-UHFFFAOYSA-N 433.499 5.462 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3cccc(SC)c3)C2)c2ccccc12 12952954 QDCBLYFDVCHEBA-QGZVFWFLSA-N 434.561 5.061 0 40 IKAB C[C@@](Cc1nc2ccccc2s1)(C(=O)OCc1c(F)cccc1Cl)c1ccccc1 13015816 MQEPOLSBOAORPR-DEOSSOPVSA-N 439.939 6.333 0 40 IKAB O=C(COc1ccc(C2SCCS2)cc1)N(Cc1ccccc1)Cc1ccccc1 13138022 FHNYCASJTSWTMC-UHFFFAOYSA-N 435.614 5.773 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2cc(C)ccc2C)c1C 13388591 YMVDXNBJYXYNBC-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)cs2)cc(OC)c1OC 13656551 OTLHXAZIFRNTQE-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc4ccccc34)C(=O)[C@H]2ON1c1ccccc1 13807052 IRKTWDNRKMSRGK-NXCFDTQHSA-N 434.495 5.199 0 40 IKAB O=C(NC(=S)Nc1cccc2cccnc12)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 14269989 HVECPBJYEBQEQC-UHFFFAOYSA-N 442.327 5.928 0 40 IKAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1c1ccc(SC)cc1 15412555 DMWCXGMOKBGJBT-VWLOTQADSA-N 446.572 5.155 0 40 IKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(C)ccc3s2)cc1OC 15881805 DOMORHTWCHETIO-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 17096117 SYAONAWYYYWIOR-MRXNPFEDSA-N 428.598 5.139 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 17101081 DFLVTRIDKPHQAZ-WUXMJOGZSA-N 437.282 5.446 0 40 IKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(Cl)cc23)Cc2ccco2)c1 17135405 YLVDPUAFPOGPMU-UHFFFAOYSA-N 437.996 6.473 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)/C=C/c2ccco2)cc1 19639815 HXEYERJDVOADBD-OUKQBFOZSA-N 444.314 6.010 0 40 IKAB O=C1CCCc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1nc2ccccc2s1 19817257 STROZLVSDHQBQU-UHFFFAOYSA-N 428.439 5.763 0 40 IKAB Clc1ccc(-c2nnc(SCc3cccc4nsnc34)n2-c2ccccc2)cc1 19858503 NYJKGADASWYEDX-UHFFFAOYSA-N 435.965 5.885 0 40 IKAB CCCCCCn1c(=N)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)c2ccccc21 20291642 ULDNMMRJUXFKPW-QGZVFWFLSA-N 436.383 5.249 0 40 IKAB Cc1c(Cl)cccc1-n1c(SCc2nc3ccccc3o2)nnc1-c1ccncc1 21200857 ZKQFHNFMQXCTCE-UHFFFAOYSA-N 433.924 5.725 0 40 IKAB COc1ccc(C)cc1-c1nc2ccc(Cl)cc2c(-c2ccccc2F)c1CC(=O)O 21225079 XKLFLGAWICNOEU-UHFFFAOYSA-N 435.882 6.305 0 40 IKAB CC1(C)CC(NCc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)CC(C)(C)N1 23805481 OOGNUYGERQIYKY-UHFFFAOYSA-N 434.411 5.645 0 40 IKAB O=C(CCCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)c1cccs1 24358033 AJCFJJNXANYKHE-UHFFFAOYSA-N 432.589 5.035 0 40 IKAB COc1cccc(C(=O)NC[C@H](c2ccc(Br)cc2)c2c[nH]c3ccccc23)c1 27742475 ARVKENLIDHERSV-OAQYLSRUSA-N 449.348 5.501 0 40 IKAB Cc1cc(NC(=O)c2ccn(COc3cccc(C(F)(F)F)c3)n2)c2ccccc2n1 27973294 PFQDTTYVMZJUOQ-UHFFFAOYSA-N 426.398 5.047 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 32895264 VKZMTIRLLSDPNH-UHFFFAOYSA-N 444.869 5.331 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1)Nc1ccccc1 33000395 XYKVOHCTGVAQMC-UHFFFAOYSA-N 437.521 5.419 0 40 IKAB COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3C)c2)cc1 33647700 WEACUZWMUAMVPK-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Nc1c(C(=O)O)c(-c2ccccc2)c(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1 34742508 OKXZXCQTMLOSAD-UHFFFAOYSA-N 441.530 7.635 0 40 IKAB Cc1nc(-c2ccccc2Cl)nc2sc(C(=O)Nc3ccc(Cl)cc3)c(N)c12 35325025 KQVZUPVQVRXXOU-UHFFFAOYSA-N 429.332 5.808 0 40 IKAB CCc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc2noc(-c3ccccc3)c2c1 36639825 JPKQRCABDOVPQH-UHFFFAOYSA-N 443.894 5.544 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)c2cccnc2SCC(F)(F)F)cc1OCC 36758946 PTLVOQKPJDXCLT-ZDUSSCGKSA-N 428.476 5.024 0 40 IKAB Cc1ccc(-c2cc3c4nnc(SCc5c(F)cccc5Cl)n4ccn3n2)cc1C 67260648 POKSCHGIQFFXIM-UHFFFAOYSA-N 437.931 5.746 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@H](C)N(C)C(=O)[C@@H](C)S(C)(=O)=O)cc2F)cc1 72285147 ZEMVITPHVBFUKN-JKSUJKDBSA-N 437.602 5.053 0 40 IKAB CNC(=O)C1(Cc2cccc(-c3ccccc3C)c2)CCN(C(=O)CC2CCCC2)CC1 72345307 QPGRUSQPEMHXAR-UHFFFAOYSA-N 432.608 5.140 0 40 IKAB Cc1nn(C)c2ccc(C(=O)N3CCC[C@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc12 72357503 NIVPDLAJPZCHAK-FQEVSTJZSA-N 428.511 5.103 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)CCc2nc3ccccc3s2)C1 72396234 IDAQCEHDFJCSGM-OAQYLSRUSA-N 444.604 5.304 0 40 IKAB CC(=O)N(c1ccccc1)[C@@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 95115698 XJHIYPJJISFYQX-AVRWGWEMSA-N 432.951 5.916 0 40 IKAB CCCCOc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3ccncc3)no2)cc1 96102988 OTIQSZGEACVAMR-UHFFFAOYSA-N 443.507 5.545 0 40 IKAB COc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2C)c(C)c1C 96315920 UKAKYRXTUVMUFK-XMMPIXPASA-N 445.611 5.266 0 40 IKAB Cc1ccc([C@H]2CC(c3ccc(N(C)C)cc3)=NN2C(=S)NCc2ccccc2)cc1 97104916 AVOUREOPWHVWMR-RUZDIDTESA-N 428.605 5.287 0 40 IKAB O=S(=O)(Nc1cc(Cl)ccc1Cl)c1cc(Br)cc(C(F)(F)F)c1 98073025 LLLVUTISDMHDIY-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100990324 DKTUBXPZNXSPSD-SNEKZUEESA-N 445.228 6.076 0 40 IKAB COc1ccc([C@@H]2C3=C(O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(C)=O)cc1 102775246 SIEROZRAJQYOLF-HFJWLAOPSA-N 428.488 5.858 0 40 IKAB C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1C/C(=C\c1ccc(Cl)cc1Cl)[C@@H]2O 118926507 UVKLEPAXPBFJMQ-CXAYVHFXSA-N 447.446 6.671 0 40 IKAB CC(=O)N[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118935424 NIJKPJNXBCARQP-FDTCTUJQSA-N 427.717 7.533 0 40 IKAB Cc1ccc(CNC(=O)[C@@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccccc2)cc1 222841986 XMLRAGPQKUHEHL-OAQYLSRUSA-N 448.994 5.315 0 40 IKAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 222981821 VEEDZISKSNWUNY-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(C)c2)c1 223640337 JGQINVNLZQIYCN-UHFFFAOYSA-N 433.913 5.259 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224077743 FFSMWJNQAHAYIK-SFHVURJKSA-N 433.017 5.012 0 40 IKAB CSc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c1 224232281 RLHYNJLNNYTTOW-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224796884 OVTZBNHEAVZSQT-MHZLTWQESA-N 442.603 5.092 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(Cl)c3Cl)o2)cc1 224908883 YIZWODXVCWWIEI-UHFFFAOYSA-N 439.298 6.576 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)c(Cl)c1 224997466 HSLHOPJWTUZLJP-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CC(C)n1c(=O)sc2cc(NC(=O)CSCc3ccc(Cl)c(Cl)c3)ccc21 225175884 ILCZWTVGTHDIMH-UHFFFAOYSA-N 441.405 5.823 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225271183 WHRAUNBSPFKIOT-XMMPIXPASA-N 440.603 5.389 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)s1 225361184 SOOCCGSCNSTGER-DHIUTWEWSA-N 435.618 5.950 0 40 IKAB COC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCC[C@@H]2C)cc1 225615866 ZNVFSKBQPGMAOA-QFIPXVFZSA-N 432.649 5.746 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)cc2)c2ccccc2)c(C)c1 225768931 QSBGFRVSWZXFQN-RUZDIDTESA-N 429.589 5.506 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C(F)(F)F)c3)CCOCC2)cc1 225955640 UECORCBEKLXENC-UHFFFAOYSA-N 435.486 5.736 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@]3(C)CCC(=O)C(C)(C)[C@@H]3CC[C@]12C 253609608 NJICGAVMYWKCMW-BWRYOQIMSA-N 442.728 7.738 0 40 IKAB biogenic CC(C)CCC[C@]1(C)Oc2c(O)cccc2[C@H]2OCC3(C[C@@H]21)CN(C(=O)OC(C)(C)C)C3 257204009 ASQCBDFNZAYHEF-HWHXTQLESA-N 445.600 5.684 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc1OC 408626166 ZUXDSQYLOPCVRQ-UHFFFAOYSA-N 440.765 6.276 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3ccc4ccccc4c3)n(-c3ccccc3C)n2)c1 408727751 XIKGJUYMNMRARO-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1cccc(Cl)c1 409052027 GAJZHPYVYKTFGT-UHFFFAOYSA-N 445.371 6.438 0 40 IKAB Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4)cc3)N3NC=NC3=N2)cc1Cl 409058653 UOMNFVXHYGIZJS-QHCPKHFHSA-N 449.341 5.873 0 40 IKAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 409172931 MXPKOQYPZFPWLO-HNNVXOBOSA-N 442.990 6.567 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C(C)C)cc2)nc1-c1ccc(F)cc1 409205062 KPEFDUMWKLMBDG-UHFFFAOYSA-N 438.568 6.627 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(OCc4ccccc4Cl)cc3)C2=O)cc1 409229056 JBEUFQXJFIKKDP-OEAKJJBVSA-N 432.907 5.320 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COc1ccc(Br)cc1Br 846815 HCYCRYPMIWVQLF-UHFFFAOYSA-N 433.527 5.191 0 40 IKAB COc1cc(C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc(OC)c1OC 849825 QFIXBHWXPCSEAH-DYESRHJHSA-N 432.520 5.305 0 40 IKAB CCOc1ccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 1298108 WAJKDEVMUTYZLI-QHCPKHFHSA-N 447.560 6.205 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(-c4nc5ccccc5s4)coc3c2C)cc1 1317868 CBGSTAFMJLFJOZ-UHFFFAOYSA-N 443.480 5.606 0 40 IKAB biogenic Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)o1 1333660 DKWJJTJWZPVETJ-XMMPIXPASA-N 436.577 5.334 0 40 IKAB CC(C)S[C@H](OC(=O)COc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl 1640289 DAGGNEYBJKODSS-LBPRGKRZSA-N 426.576 5.753 0 40 IKAB CCOP(=O)(OCC)/C(=C/Sc1ccc(Cl)cc1)NC(=O)c1ccccc1 2147308 WJNVCKLEVCQDFF-NBVRZTHBSA-N 425.874 5.927 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1Cc1ccc(F)cc1 2161920 RNDJZTAGKVWUHQ-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB CCc1ccc2nc(Nc3ncc4c(n3)C[C@H](c3cccc(Cl)c3)CC4=O)nc(C)c2c1 2344408 AREUNZWPHODSMI-KRWDZBQOSA-N 443.938 5.600 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(c1nnc(C)s1)C3=O 2448658 ZFRVRFXYASIJKP-FQEVSTJZSA-N 431.517 5.135 0 40 IKAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2Nc2cccc(C)c2C)c1C 2618176 YXGWATJNRLNGIV-GOSISDBHSA-N 448.519 5.207 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)NC(c1ccccc1)c1ccccc1 2662034 KGJMLPBPAMNDFI-UHFFFAOYSA-N 440.572 5.143 0 40 IKAB COc1ccc(OC)c(NC(=O)c2cc(-c3ccc(OC(C)C)cc3)nc3ccccc23)c1 2762872 DRGYBSSDPNGHPK-UHFFFAOYSA-N 442.515 5.959 0 40 IKAB COc1cccc2cc(-c3nc(-c4ccc(Br)cc4)c(C)s3)c(=O)oc12 2964182 REEIPDPZIMJBRQ-UHFFFAOYSA-N 428.307 5.663 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4)cs3)cc2)cc1 3241510 CHZFJLOPJJNRIH-UHFFFAOYSA-N 449.557 5.172 0 40 IKAB C[C@@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 3245288 VNAXQZNFUYRHOQ-CYBMUJFWSA-N 442.298 5.801 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(-c2ccc(C(C)(C)C)cc2)nn(CN2CCCCC2)c1=S 3259372 COXAQTAYYXUWOZ-SIKLNZKXSA-N 426.674 6.573 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccccc4s3)cc2)cc1OC 4089055 XABDQFDNJGFTEB-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB CCOc1ccc(N2C(=O)c3ccc(C(=O)O[C@@H]4C[C@@H](C)CC[C@@H]4C(C)C)cc3C2=O)cc1 4174591 COHHINVPZAHRJL-XVWGUNQUSA-N 449.547 5.504 0 40 IKAB biogenic CCOc1ccc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc1OCC 4783921 KXIMFFUCPHXCKB-YCRPNKLZSA-N 428.598 6.125 0 40 IKAB Fc1ccccc1N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccc(Br)cc1 8386766 MNSRIPKTVZLOGG-OAQYLSRUSA-N 429.720 6.597 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)Cc2ccccc2)sc2c1CCCC2 8589780 UPIOECPDPNYWHL-UHFFFAOYSA-N 434.561 5.459 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 9053637 QFUCAJPXSBZCLS-SFHVURJKSA-N 444.560 5.151 0 40 IKAB CN(Cc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)Cc1ccccc1N1CCCC1 9208718 MZWLTQYRLFSBHR-UHFFFAOYSA-N 448.567 5.023 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2C)cc1 9305161 WGLCOTFKVPBFGF-QGZVFWFLSA-N 438.597 5.372 0 40 IKAB CC(C)[C@@H](NC(=O)CSc1nc2ccccc2s1)c1ccc2c(c1)OCCCO2 9513460 UXMXAWFPNRXGCK-OAQYLSRUSA-N 428.579 5.063 0 40 IKAB CCCCn1c2ccccc2c2nnc(SCn3c(=S)sc4ccccc43)nc21 9668854 KBZMBXXZEMJCNO-UHFFFAOYSA-N 437.619 6.275 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2CCC(C)C)cc1C 9751285 OCGDIRDHTBJEJW-UHFFFAOYSA-N 449.576 5.536 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3cccc(NC(=O)c4cccs4)c3)cc2)cs1 9783739 OLNUCZJRURBYPS-UHFFFAOYSA-N 447.585 5.405 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)s3)c3cc(Cl)ccc32)cc1 10059188 XLPZTKVVJKOVRL-QFIPXVFZSA-N 446.355 5.371 0 40 IKAB CCn1c2ccccc2c2cc([P@@](=Nc3ccccc3)(N3CCCC3)C(C)(C)C)ccc21 12639679 STUOLAWXUNLGIB-JGCGQSQUSA-N 443.575 7.782 0 40 IKAB Cc1ccc2c(Cn3cnc4sc(C)c(-c5ccccc5)c4c3=O)cc(=O)oc2c1C 12856323 RBTWJXCJMTZSJM-UHFFFAOYSA-N 428.513 5.205 0 40 IKAB C[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 13100900 YVMWNDCPJMVOFO-VQTJNVASSA-N 448.636 5.493 0 40 IKAB COc1cccc(NCc2cc3c(-c4ccc(F)cc4)nn(-c4ccccc4)c3[nH]c2=O)c1 13564722 NDGRKQZXMFLYAR-UHFFFAOYSA-N 440.478 5.141 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14009354 TUBJNSLYVXKFRR-HXUWFJFHSA-N 434.967 5.041 0 40 IKAB COc1cc(O)c2c(c1CC=C(C)C)O[C@H](c1cc(CC=C(C)C)c(O)cc1O)CC2=O 14727513 DVNXMSLAHMVXOH-DEOSSOPVSA-N 438.520 5.536 0 40 IKAB biogenic Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCCC2)o1 15860445 WAAOMYONJWTFQF-HSZRJFAPSA-N 433.552 5.079 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(=O)n(Cc3ccc(C(F)(F)F)cc3)c2)cc1 15883260 KTTBAGACPRMROQ-UHFFFAOYSA-N 428.454 5.510 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4C)c3)nc2c1 16610734 KEOZSIJALRTYNJ-INIZCTEOSA-N 448.950 6.988 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C)c1 16757691 LLIVPKUCYNONHY-NRFANRHFSA-N 431.561 5.830 0 40 IKAB O=C(CSc1nc2ccccc2o1)NCc1cn(-c2ccccc2)nc1-c1ccccc1 18110738 ZUZNUAZGQXXMLU-UHFFFAOYSA-N 440.528 5.089 0 40 IKAB O=C(N[C@H]1CCSc2ccccc21)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 18134516 ADWDCKSRSUXANJ-SFHVURJKSA-N 430.451 5.860 0 40 IKAB CC1CCN(C(=S)Sc2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)CC1 18249412 WNISNVFGQFGUQT-UHFFFAOYSA-N 429.010 5.957 0 40 IKAB COc1ccc(CN2CCCN(Cc3ccc(OC)cc3)C2c2ccccc2OC)cc1 19325726 MAFVPJKXYIHXSQ-UHFFFAOYSA-N 432.564 5.119 0 40 IKAB CC(C)CC(=O)N1CCC(c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)CC1 19446275 CUSSRZRJRWEHBF-UHFFFAOYSA-N 433.531 5.173 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 20488010 AFPILAFGQVCARA-QFIPXVFZSA-N 442.481 5.365 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 21005607 AABBYOXWBVQSBW-XMMPIXPASA-N 443.478 5.173 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2oc3cc(C)c(Cl)cc3c2C)N2CCC(C)CC2)o1 21659834 OCYGBMOFBAVSND-FQEVSTJZSA-N 428.960 5.807 0 40 IKAB CCCCCC[C@H](C)N/C=C1/C(=O)N(c2ccc(OC)c(OC)c2)C(=O)c2ccccc21 23409111 RIVGTJOZSKQUIM-VJWQYWRGSA-N 436.552 5.180 0 40 IKAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 23507631 WWHRMACTVGYNTD-LBPRGKRZSA-N 439.289 6.079 0 40 IKAB O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 27229542 BXEHPQJWJOCRJA-JWGURIENSA-N 449.963 5.393 0 40 IKAB CCOC(=O)c1ccc2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2c1 27748130 WFBZFBKFEDEXNF-UHFFFAOYSA-N 434.901 5.733 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)cc1 27840848 HQUAVVNVHKTGOO-UHFFFAOYSA-N 439.342 7.351 0 40 IKAB O=C(Sc1ccc(Cl)cc1)c1nc(SCc2ccccc2F)ncc1Cl 27995527 UNZMCCMOFNGEJG-UHFFFAOYSA-N 425.337 6.147 0 40 IKAB CCOc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@H]2c2ccc(F)cc2)cc1 28047882 ODYHEXWHCMKUEG-HSZRJFAPSA-N 438.886 5.062 0 40 IKAB CSc1ccc(CN(C)Cn2nc(-c3cc(C)ccc3C)c3ccccc3c2=O)cc1 29230241 ABOBAPVJAOTJRS-UHFFFAOYSA-N 429.589 5.492 0 40 IKAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2F)o1 30883473 USMCCXXYIJQCIM-FUDKSRODSA-N 434.559 5.458 0 40 IKAB biogenic,in-vitro COc1cc2sc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)nc2cc1Cl 32127638 QMANZXGNJBTEHF-ONEGZZNKSA-N 443.739 5.926 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5cccc([N+](=O)[O-])c5)o4)ccc3o2)cc1 33552602 JFKHPAAFEYNELX-UHFFFAOYSA-N 439.427 6.224 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264336 ORAAKVFPWXELSA-UHFFFAOYSA-N 434.879 5.180 0 40 IKAB COc1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1Cl 38850224 UTAZOIGSWBWAMA-ZDUSSCGKSA-N 427.759 5.506 0 40 IKAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccccc1CSc1nc2ccccc2o1 40025662 UOVGUPOLAASJEK-UHFFFAOYSA-N 430.533 5.368 0 40 IKAB C[C@H](CCC[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)C(=O)O 40164221 ITZYGDKGRKKBSN-RXDNHGQQSA-N 434.661 5.504 0 40 IKAB endogenous,in-man Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3ccc(Cl)cc3Cl)n2)cn1 40284005 LCJGUFIQGWPNHX-UHFFFAOYSA-N 425.275 5.666 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2cccc(Cl)c2)cc1C 48985632 RHZWALGZZPJOFL-UHFFFAOYSA-N 434.970 5.096 0 40 IKAB COc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)CC4CCCCC4)cc3)cn2)cc1 49422169 BNYIRHKOAUQPIQ-UHFFFAOYSA-N 446.551 5.101 0 40 IKAB COc1cccc([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)c1OCc1ccccc1 49547724 OZFIUJMFDRIMLC-JOCHJYFZSA-N 437.565 5.650 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 57270656 LGOMQQJSAOGDOM-XMSQKQJNSA-N 427.548 5.308 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C(C)C)nc3ccsc3c2=O)c1 57487480 FFVOCXZZTDRMIM-UHFFFAOYSA-N 449.601 5.610 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)C(c1ccccc1)c1ccccc1 72229881 IKWCYLWJPFAMEI-AREMUKBSSA-N 427.931 6.192 0 40 IKAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cc(Br)cc(C(F)(F)F)c1 98072971 UOMTYTFQCOKOKY-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)C3[C@H]4CCCC[C@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100289555 KZJDDLZDKVGKTB-QORCZRPOSA-N 442.603 6.027 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 100425936 VEDLRAWCYYZOTG-BTYSJIOQSA-N 436.555 6.873 0 40 IKAB O=C(C1CCN(C(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccccc2)(C4)C3)CC1)N1CCCCCC1 104203818 ZONXDOYRNCFWQZ-JZLQPTSESA-N 448.651 5.166 0 40 IKAB CC(=O)O[C@@H]1C[C@H]2[C@@H]3CC[C@H]([C@H](C)CCCC(C)C)[C@@]3(C)CC[C@@H]2[C@@]2(C)CC[C@@H]3C[C@]312 119228355 GTIKQIIGVJEOLB-YILKZWTPSA-N 428.701 7.649 0 40 IKAB COCCN1C(=O)C2=C(CCCC2)[C@H]1c1c(-c2cccc(OC)c2)n(C)c2ccccc12 199406570 QLYBJYCZQPSOPI-SANMLTNESA-N 430.548 5.254 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Br)cc3)o2)S1 222629953 BYRAPEAMPMXCSZ-GBLZOACLSA-N 440.366 5.693 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 222637352 YPHCVFAOAAMFDU-DEOSSOPVSA-N 440.603 5.388 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 222752371 XYOHPVGMIUNZHW-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222866058 VOCLROKIZYWNAU-WOJBJXKFSA-N 431.392 5.562 0 40 IKAB Cc1ccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 223016297 QFWAKVRUPNQLKX-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccc2c(c1)CCCC2 223081520 YZCDODWQEPJJSC-NRFANRHFSA-N 430.386 5.591 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC2CCCC2)cc1 223814245 URPFBJIIZZBTDR-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCOc1ccc(C)cc1 223815026 OKNBPAOUSKBYHA-DEOSSOPVSA-N 442.575 5.017 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(C(F)(F)F)cc3)c2)c1 224137435 WMQZAMIUYHFTAG-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224191662 SAWOITUPKIWRAH-ZWKOTPCHSA-N 430.396 5.391 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1COc1ccccc1C(C)C 224568163 SAGKMGQPLKOTRQ-UHFFFAOYSA-N 432.520 5.139 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)c(Cl)c1 224811873 XIGOAIPHQQNLMI-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)c2ccccc2O1 224871393 GSNAZFNFBZRYSK-HSZRJFAPSA-N 441.015 5.751 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@H](C)C1 225664231 SARCKGSJWYGOFB-BKMJKUGQSA-N 430.633 5.501 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NCc1ccc(Cl)cc1Cl 225827339 BAHTZBZBBKYOPR-UHFFFAOYSA-N 426.303 5.446 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCCN(C(=O)[C@@H]4CC=CCC4)C3)cc2N1 248148582 APXGMXGYVLNWBD-KCITZHQASA-N 438.538 5.279 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)o2)c1 257204144 ATFFHEAFEZFWKU-QHCPKHFHSA-N 447.510 5.570 0 40 IKAB Cc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)c1 257229870 FZVGQUXJOPQNJE-RUZDIDTESA-N 437.587 5.801 0 40 IKAB CC(C)c1cc(Nc2cc(CC3CCN(C(=O)c4cccc(F)c4F)CC3)ccn2)[nH]n1 257277645 NYVKVYAQCVYFRA-UHFFFAOYSA-N 439.510 5.045 0 40 IKAB COc1cccc(Cc2ccc([C@H]3CCCN(Cc4c(C)cc(OC)c(C)c4C)C3)nc2)c1 257318908 VPXOIXCFAGBJCL-VWLOTQADSA-N 444.619 5.994 0 40 IKAB O=C(c1ccccc1Cn1ccnc1)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1 257338582 YYBKRACEQWLYOW-QHCPKHFHSA-N 443.938 5.019 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C 257350388 XCDQFROEGGNAER-XVHJYUPTSA-N 428.745 8.249 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3cccc(F)c3)c(Cl)c2)N1c1ccc(Cl)cc1 408558505 RPEIWGNGXYPLBA-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB COc1cccc(CNC(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)c1 408571283 AVYBXIZMOYDIHO-UHFFFAOYSA-N 445.943 5.541 0 40 IKAB O=C(O)c1cccc(NCc2ccc(OCc3ccccc3Cl)c(Br)c2)c1 408608162 KQVVMGAXXACOKB-UHFFFAOYSA-N 446.728 5.992 0 40 IKAB CC(C)Oc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 408615418 QDDCLXLMKNUNGW-UHFFFAOYSA-N 444.940 5.180 0 40 IKAB COc1cc(/C=C(\Sc2nc3ccccc3[nH]2)C(=O)O)ccc1OCc1ccc(C)cc1 408634575 RUUYAHZHXLAIEL-UCQKPKSFSA-N 446.528 5.677 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)nn2-c2cccc(C)c2)cc1 408727242 VIYCFUJTBGGPHE-UHFFFAOYSA-N 435.449 6.427 0 40 IKAB O=C(Oc1ccc(Cl)cc1)c1ccc2nc(-c3cccs3)c(-c3cccs3)nc2c1 408980759 XFJMHLVKOAVWND-UHFFFAOYSA-N 448.956 6.959 0 40 IKAB Clc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(Cl)cc2)cc1 409103298 GKRPBNVJTUDTDC-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1cccc2ccccc12 409116955 MRCXJBASSLZNES-UHFFFAOYSA-N 445.990 7.700 0 40 IKAB CCN1C(=O)S[C@H](Cc2ccc(OCc3ccc(Cl)c(Cl)c3)c(OC)c2)C1=O 409142041 ARUKYVXBXOBUSC-GOSISDBHSA-N 440.348 5.207 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)N1CCN(c2cccc(Cl)c2)CC1 409173728 QUUVCFBTFUEBTL-UHFFFAOYSA-N 429.800 5.229 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccc(Sc4ccc(C)cc4)cc3)C2=O)cc1 409240176 JXFWNKIOKIJLKX-HAHDFKILSA-N 431.582 6.691 0 40 IKAB CCOc1cc(-c2nc(O)c3ccccc3n2)ccc1OC(=O)c1cccc2ccccc12 409256490 OUTAUHBFCBLFBV-UHFFFAOYSA-N 436.467 5.774 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cccc(C)c4C)C3=O)c[nH]c12 409362336 UEWMNQWBMIYDIY-JAIQZWGSSA-N 433.533 5.022 0 40 IKAB O=C(COc1ccc(CNc2cccc(Cl)c2)cc1Cl)Nc1ccc(Cl)cc1 409378024 LSMURLHJWRECGE-UHFFFAOYSA-N 435.738 6.276 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@H](c2cccc(-c3cnc4ccc(Cl)cn34)n2)C1 2037845634 FPLSHVXKTAUIKA-KRWDZBQOSA-N 434.902 5.209 0 40 IKAB CSc1nc(Oc2cc(C)c(Cl)c(C)c2)cc(-n2ncc(Cl)c(Cl)c2=O)n1 632516 HXXMYRKOTIWNBY-UHFFFAOYSA-N 443.743 5.114 0 40 IKAB Cc1cc(Br)c(NC(=O)CSc2ccc(Br)cc2)cc1C 681994 MXWRYZMNIBQVOB-UHFFFAOYSA-N 429.177 5.559 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2cccc(F)c2)N1c1cccc(C(F)(F)F)c1 843896 CSWOQINTUWSVGN-JOCHJYFZSA-N 437.396 5.984 0 40 IKAB CCn1c(CNc2cccc(Cl)c2)nnc1S[C@H](C)C(=O)Nc1c(C)cccc1C 976288 WRQOIYGWISTPOI-MRXNPFEDSA-N 444.004 5.300 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@@H](Nc2ccccn2)c2ccc(Cl)cc2)c1C 1298130 XXDRSVFODXQWQP-NRFANRHFSA-N 437.952 6.460 0 40 IKAB COc1ccc(NC(=O)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCCC2)cc1 1371250 NBBRHXPALFKNGA-UHFFFAOYSA-N 433.552 5.520 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1cccc(Cl)c1 1380047 KOPFOVHASKFQHN-FQEVSTJZSA-N 428.941 5.441 0 40 IKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1cccc(Br)c1 2177500 NSFFGGGTKOECMM-AATYUJHQSA-N 446.388 6.567 0 40 IKAB CCN(CC)c1ccc(-n2c(N)c(C(=O)OCCC(C)C)c3nc4ccccc4nc32)cc1 2246418 QZOVPEVZBVVZNN-UHFFFAOYSA-N 445.567 5.205 0 40 IKAB Cc1cccc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C4CCCCC4)ccc3c2=O)c1 2886646 IMEPMCZPXFJJOQ-UHFFFAOYSA-N 446.421 6.398 0 40 IKAB O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)c1ccccc1 2889074 USDGTALQVWIKPN-UHFFFAOYSA-N 444.537 5.682 0 40 IKAB O=c1c2cccnc2n(-c2cc(Cl)ccc2Cl)n1Cc1c(Cl)cccc1Cl 3051214 USBMFVDLITUNFE-UHFFFAOYSA-N 439.129 5.849 0 40 IKAB FC(F)(F)c1cnc(-c2cnn(-c3ncc(C(F)(F)F)cc3Cl)c2)c(Cl)c1 3134626 PMAHEXMBJKFZCL-UHFFFAOYSA-N 427.135 5.674 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2sc3ccccc3c2Cl)o1 3229083 XWFIGLWQMZTMQG-LBPRGKRZSA-N 441.965 5.675 0 40 IKAB CCCCn1nc(C(=O)N(C)C(c2ccccc2)c2ccccc2)c2ccccc2c1=O 3534345 BKMXVPQQSVALTM-UHFFFAOYSA-N 425.532 5.058 0 40 IKAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(Cc4ccccc4)Cc4ccccc4)[C@H]3C=C12 4082830 OESKVACCFMXCQV-BUDALPMNSA-N 429.604 6.003 0 40 IKAB biogenic CC(=O)O/N=C1/C=C2CC[C@@H]3[C@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1 4474196 LQJAXDXIQDWPOB-GYBFQKQWSA-N 425.613 6.244 0 40 IKAB Clc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Cl)cc2Cl)cc1 6143772 CASCMYNUYUZFEF-UHFFFAOYSA-N 425.706 6.596 0 40 IKAB O=C1c2cc3c(cc2[C@H]2C[C@@H](OCc4ccccc4)CC[C@H]2N1Cc1ccccc1)OCO3 8382455 DSTSQAROMMWVIN-QQKQFIJSSA-N 441.527 5.293 0 40 IKAB biogenic,in-vitro CCc1ccc(-c2csc(NC(=O)c3cccnc3SCc3cc(C)on3)n2)cc1 8719618 PPXRHAPWBLIVFS-UHFFFAOYSA-N 436.562 5.609 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@H](C)c1cc2ccccc2o1 8825844 XAUMGDNUJFGXHX-XCLFUZPHSA-N 433.335 5.371 0 40 IKAB Cc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2nc3ccccc3o2)cc1 8860089 XYAMIYHXMKVHPN-IBGZPJMESA-N 433.558 5.668 0 40 IKAB aggregator Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)Oc3ccc(Cl)cc3Cl)c2c1 8861668 NLCOSAKEFAEMHM-UHFFFAOYSA-N 442.729 7.390 0 40 IKAB CCOC(=O)c1sc2nc3c(cc2c1NC(=O)c1ccccc1)CSC(C)(C)C3 8934378 YMMDODNJDPYXIY-UHFFFAOYSA-N 426.563 5.293 0 40 IKAB COc1ccccc1/C=C/C(=O)N1c2ccccc2[C@@H](N(C(C)=O)c2ccccc2)C[C@H]1C 8984425 KLNJOOYGTTYIBO-FFWIPWSWSA-N 440.543 5.628 0 40 IKAB COc1ccc(C(=O)N2c3ccc(C)cc3[C@@H](Nc3ccc(C)cc3)C[C@H]2C)cc1OC 8997068 HWMNAYBHNOGHIA-XXBNENTESA-N 430.548 5.913 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 9041168 BYDOMPHLXADNNG-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCC(=O)Nc1ccc(Cl)cc1 9095197 GEHUVNRFVIJIAY-VWLOTQADSA-N 443.934 5.704 0 40 IKAB COc1ccc(Nc2c(-c3cccc4cccnc34)nc3ccc(Cl)cn23)cc1OC 9210736 MDBJRWHDNKHETI-UHFFFAOYSA-N 430.895 5.964 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C)c(C)c4)cc3n2)cc1 9226818 DHKHUDCKYMPEFC-UHFFFAOYSA-N 442.563 5.706 0 40 IKAB Cn1cc([C@@H]2c3ccccc3C(=O)N2CC(=O)Nc2ccc(Cl)cc2)c2ccccc21 9289202 VUEHFPOWWHDTLT-DEOSSOPVSA-N 429.907 5.016 0 40 IKAB O=C(Nc1ccc(-c2nc3cccnc3s2)cc1)c1ccccc1C(=O)c1ccccc1 9403944 WMEYYYJBMLSKTH-UHFFFAOYSA-N 435.508 5.842 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(C(C)(C)C)cc3)cs2)cc(OC)c1OC 9446342 HGTFRBTXJWTORQ-UHFFFAOYSA-N 426.538 5.386 0 40 IKAB CSc1nc(NCCCCN)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 9488421 JUYWAFIAWBDGQH-UHFFFAOYSA-N 435.622 5.268 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nnc2-c2ccccc2)cc1 9562928 OESPYZPDJPCSDY-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCc2sccc2[C@@H]1c1cccs1 9578965 KIOKQGVBPFVCFA-HCXLOTKHSA-N 431.586 5.242 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(F)cc1)Nc1ccc(Cl)cc1 9599160 SKSXLLSLARSLCZ-UHFFFAOYSA-N 429.948 5.713 0 40 IKAB CCc1ccc(NC(=O)N(CC)c2nc(-c3ccc(C4CCCCC4)cc3)cs2)cc1 9607137 DPJQAUJOMADDEE-UHFFFAOYSA-N 433.621 7.479 0 40 IKAB CCOc1ccccc1Nc1nnc(SCC(=O)Nc2ccc(Cl)cc2F)s1 9616693 LMGZIHNCXHGXPW-UHFFFAOYSA-N 438.937 5.204 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1ccc(OCc2ccccc2)cc1 9805625 KVSOGNJCLRCXKF-UHFFFAOYSA-N 445.566 6.945 0 40 IKAB CCN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2c[nH]c3ccccc23)o1 9951155 FSVUNEXSTMDKFW-UHFFFAOYSA-N 432.958 5.074 0 40 IKAB O=C(c1ccco1)N1CCN(c2ccc3cccc(OCc4cccc(Cl)c4)c3n2)CC1 11027629 BUNCBIGYONZOEX-UHFFFAOYSA-N 447.922 5.023 0 40 IKAB Cc1ccc([C@@H](NC(=O)CCc2c(C)nc3c(c(C)nn3C)c2C)c2ccccc2)cc1 11374164 YENBZBZYJIPIRF-SANMLTNESA-N 426.564 5.040 0 40 IKAB Cc1ccc(C(C)C)c(OC(=O)NCCCCNC(=O)Oc2cc(C)ccc2C(C)C)c1 12447294 OWZIXCWHKDXYJU-UHFFFAOYSA-N 440.584 6.207 0 40 IKAB Fc1ccc(C2=Nc3ccc(Br)cc3C(c3ccc(Cl)cc3)=NN2)cc1 12486609 MKEAXBYZYOGWIV-UHFFFAOYSA-N 428.692 5.676 0 40 IKAB CCc1cccc(CC)c1-n1c(SCc2nnsc2Cl)nnc1-c1cccnc1 12526809 JXDUOIWVTFPMJO-UHFFFAOYSA-N 443.001 5.251 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@@H](Nc3ccc4c(c3)OCO4)c3ccccc3)n2)cc1 12568201 GQYKXPAIOUEACX-QHCPKHFHSA-N 443.528 5.639 0 40 IKAB Cc1noc([C@@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2CC(C)C)n1 12741491 QUMQRYSWNKAYDE-LLVKDONJSA-N 432.596 5.387 0 40 IKAB O=C(CN(Cc1ccco1)Cc1cccs1)Nc1cc(C(F)(F)F)ccc1Cl 12890043 MCJBNDAFZBEQPI-UHFFFAOYSA-N 428.863 5.654 0 40 IKAB Cc1ccc(CN(C)Cn2nc(-c3ccc(Cl)cc3)n(Cc3ccccc3)c2=S)cc1 13070141 OMWDMFGJAZLENL-UHFFFAOYSA-N 449.023 6.181 0 40 IKAB CSc1cccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3cccc(Cl)c3)c2)c1 13110191 OGCAWZOEWHNKTO-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB COc1ccc(C)cc1NC(=O)c1cc2c(C)nn(Cc3ccccc3Cl)c2s1 13137486 OLMMHMANUGOTSS-UHFFFAOYSA-N 425.941 5.677 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCc3cc(C(=O)Nc4ccc(C)c(C)c4)ccc32)cc1 13583665 NAYZUQYCBUJQDY-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O=C(NCCSCc1c(Cl)cccc1Cl)c1ccccc1OCc1ccccc1 13687164 MXCCYNCIMDPWNF-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)nc2c1 13946099 PUJZGDOMAXKIGR-UHFFFAOYSA-N 434.923 6.507 0 40 IKAB CC1CCN([C@H](CNC(=O)c2ccc(C3SCCS3)cc2)c2cccs2)CC1 14515270 WQICALADWCGFAS-LJQANCHMSA-N 432.680 5.430 0 40 IKAB CN(c1ccccc1)c1nnc(-c2ccc(NC(=O)COc3ccc(F)cc3)cc2)s1 16915525 MVEXRUMYPSXGHT-UHFFFAOYSA-N 434.496 5.130 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccccc3)C2)cc1C 17143522 ICKYVLFBOMPXDO-VWLOTQADSA-N 444.003 7.436 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)c1ccccc1 17178148 GOLJJXWQUKTRIL-UHFFFAOYSA-N 428.492 5.530 0 40 IKAB CC(C)C(=O)N[C@H](c1nccs1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19086163 WYNPGCHGDZSXER-REWPJTCUSA-N 441.641 5.190 0 40 IKAB O=C(Nc1ccccc1)N1CCc2nc(-c3cccnc3)nc(Nc3cccc(F)c3)c2C1 19372986 KDNMWJNMBUGFEF-UHFFFAOYSA-N 440.482 5.012 0 40 IKAB Cc1c(Cl)cccc1NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 20295720 HDBQEKUEKWZTQD-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB CC(C)OC(=O)c1ccc2nc(NC(=O)c3ccc(OCc4ccccc4)cc3)sc2c1 20411760 FAQHGXADGZFTGH-UHFFFAOYSA-N 446.528 5.693 0 40 IKAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(Cl)c1)C3 20796310 KJNUOLWDMDGSNX-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1cccc(C)c1 21005628 NMNQPSBWOCCTNT-RUZDIDTESA-N 439.515 5.343 0 40 IKAB CCOC(=O)C1=C(c2ccc(F)cc2)Nc2nc3ccccc3n2[C@H]1c1ccc(C)cc1 21005731 PZCYZRWJZYLKLW-DEOSSOPVSA-N 427.479 5.473 0 40 IKAB CC1(C)CC(=O)C2=C(C1)OC1=C(C(=O)CC(C)(C)C1)C2c1ccccc1Oc1ccccc1 21964759 YFRLFONIJWBRJX-UHFFFAOYSA-N 442.555 6.879 0 40 IKAB O=C(Nc1ccccc1Br)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072647 ZSXJQQAURHOPPT-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](c2nc3ccccc3n2[C@@H](C)c2ccccc2)CC1=O 27789097 WEHRHWUYQFFKLH-HKUYNNGSSA-N 445.950 5.828 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3cc(C)c(Cl)cc3c2C)cc1C 27991939 KIJPFJOCADQFMC-UHFFFAOYSA-N 425.872 5.712 0 40 IKAB CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993069 CRQAQLGSYMEGEO-MHZLTWQESA-N 446.978 6.455 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1)c1ccccc1 30754562 BXUSIGSAICLOPU-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 30756230 KOBHVYCNBMCOFW-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)CCc3ncc(-c4ccccc4F)o3)c2C)cc1 31563665 FKHDVNPGRFAEEC-QGZVFWFLSA-N 432.499 5.093 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(OCC)c(Cl)c3)sc2c1 32118903 UALAOFVRSDEWIF-UHFFFAOYSA-N 448.013 5.818 0 40 IKAB O=C1COc2ccc(NC(=O)c3ccccc3CSc3nc4ccccc4s3)cc2N1 32988885 ZMUVWHQQNDLNRL-UHFFFAOYSA-N 447.541 5.172 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)OCc2nc3ccccc3s2)cc1 33379329 LCPBDOXHMKHMNP-NTCAYCPXSA-N 444.512 5.314 0 40 IKAB Clc1ccc(COc2c(Cl)cc(CNc3cccc(Cl)c3)cc2Cl)cc1 33422642 UZQWPYKRKKNIPS-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1nc(-c2ccc(Cl)cc2)cs1 34735630 BYWWXLOPKSKZIB-UHFFFAOYSA-N 428.926 5.244 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2[C@H](C(=O)O)c2c[nH]c3cc(OCc4ccccc4)ccc23)C1 36351244 IHTUQSVNUBACSA-SZJUTTIESA-N 432.564 5.773 0 40 IKAB O=C(c1cccs1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@@H]1c1ccc(F)cc1 38257067 FMXAWRCGHYGXPB-JMAOXEMGSA-N 434.511 6.463 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1 39758290 HTTDTTSUVCSHHL-UHFFFAOYSA-N 428.960 5.148 0 40 IKAB CN(C(=O)c1cccs1)c1ccccc1C(=O)Nc1ccc(Nc2ccccc2)cc1 40060332 IQFIDOWPCGMOSE-UHFFFAOYSA-N 427.529 6.021 0 40 IKAB c1cncc(CSc2ccc(Sc3ccc(SCc4cccnc4)cc3)cc2)c1 41107719 HCQXSCCNLRTTHW-UHFFFAOYSA-N 432.639 7.212 0 40 IKAB Brc1ccc(COc2ccccc2[C@H]2NN=C(c3ccccc3)S2)cc1 59409040 NBXDYJWNZCOLSS-NRFANRHFSA-N 425.351 5.725 0 40 IKAB C[C@@H]1[C@@H]2C3=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC[C@H]1C 84154021 FSLPMRQHCOLESF-SBNUBMHOSA-N 426.729 8.025 0 40 IKAB biogenic,in-vitro O=C(NCCC1=CCCCC1)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344393 CXZXMTSNXRJCSM-RUZDIDTESA-N 446.591 5.729 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(Cl)cc1 100426943 DQHZFFNZBCXZDN-SSOJOUAXSA-N 432.907 6.503 0 40 IKAB CCCCn1cnc2c(c1=N)[C@H](c1ccc(OC)c(OC)c1)c1ccc3ccccc3c1O2 101111928 DOWXFBCQAPJDAG-HSZRJFAPSA-N 441.531 5.619 0 40 IKAB CC1=C(CC(=O)Nc2ccccn2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101489485 OHQDKMCUFBHAKN-BALZKWHASA-N 432.520 5.315 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(Sc3ccccc3)o2)C1=O)Nc1ccccc1 106701621 QHTKRCMGDIPXFU-AQTBWJFISA-N 436.514 5.106 0 40 IKAB CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1Cl 108247014 JWIBWDGTHLDREM-UHFFFAOYSA-N 435.380 5.136 0 40 IKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 108861677 XQQRZJNAYJNLCY-CEXWTWQISA-N 438.593 5.164 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H](C(=O)OC5CCCCC5)[C@@]4(C)CC[C@@H]32)C1 118933544 PSZQIJKWYLUAAC-HAUQEPAVSA-N 442.640 6.373 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C)C1 123265153 JOBAYBRAHVTSSW-KEAWAFBBSA-N 442.728 8.206 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cc(C)cc(C)c1 222607009 CWLZEIAMLOHYLG-QHCPKHFHSA-N 444.616 5.008 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223124620 QNLAQRZQXRTUGY-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 223376495 MRRLVKLXEZIWOF-HNNXBMFYSA-N 439.358 5.009 0 40 IKAB COc1ccc(CN2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CC3)c2C)cc1 223413798 HYDQKMBNSKQKNX-DNQXCXABSA-N 432.593 5.016 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 223809627 KMKQLJKCSYCHEU-QFIPXVFZSA-N 430.589 5.032 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1 224158045 IEMNJKIKWQMGMV-DNQXCXABSA-N 426.545 5.058 0 40 IKAB COc1cccc(OCc2cc(C(=O)N[C@H](C)c3ccc(Cl)cc3)ccc2OC)c1 224260779 ALLWPTZWYSBXBE-MRXNPFEDSA-N 425.912 5.427 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3cccc4ccccc34)ccc2C)cc1 224305492 YUHDGRNGFFDFTI-UHFFFAOYSA-N 444.556 5.534 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)CCc3cccc4ccccc34)cc2)c1 224567702 PQBGYWWOZZYUIV-UHFFFAOYSA-N 444.556 5.520 0 40 IKAB O=C1CC2(CCN(C(=O)Nc3ccc(Cl)cc3)CC2)Oc2ccc(Br)cc21 225823090 MCACPVKMDYBZSA-UHFFFAOYSA-N 449.732 5.134 0 40 IKAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n(C)n1 257340202 ZFAOSTFQBDTUET-HXUWFJFHSA-N 426.948 5.143 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(Cl)c2)cc1 408699801 WILQLCZWCBIWTC-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCOc1ccc2ccccc2c1/C=C1\S[C](Nc2ccc(Cl)cc2C)NC1=O 408805972 DEUGELNASWOKNY-UHFFFAOYSA-N 437.972 6.353 0 40 IKAB CC(C)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408808456 PRBAULBVVWUXCM-IPOZWTLPSA-N 435.613 6.528 0 40 IKAB CCCN1C(=O)S/C(=C/c2c(OCc3ccc(Cl)cc3)ccc3ccccc23)C1=O 409245027 MHWMNEACWCQBEX-HYARGMPZSA-N 437.948 6.519 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)cc1 409264291 DGYJHISNWFXTST-UHFFFAOYSA-N 429.347 6.185 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 409382239 QHLBYAVJVHYHMU-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(-c2cc(C)nc(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 409391067 XSCKSGPGAKRBMC-UHFFFAOYSA-N 434.348 5.498 0 40 IKAB O=C(O)c1ccc(CN(Cc2ccccc2)C(=O)c2ccc(-n3cccn3)cc2Cl)cc1 585091841 ZJRKELVGCISUBI-UHFFFAOYSA-N 445.906 5.067 0 40 IKAB O=C(CC1(N2Cc3ccccc3C2=O)CCCCC1)NCc1cccc(-c2nccs2)c1 1548348317 LDRMVPZFUAQPPJ-UHFFFAOYSA-N 445.588 5.175 0 40 IKAB CCCC(=O)Nc1ccc2nc(S[C@@H](C)C(=O)Nc3c(C)cc(C)cc3C)sc2c1 624676 KCPXSDFINOSXKB-INIZCTEOSA-N 441.622 6.079 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2ccccc2C)c1C 831579 HANQKQRZARKZRF-UHFFFAOYSA-N 440.496 5.185 0 40 IKAB CCc1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)cc(C(F)(F)F)n2)cc1 890618 AQPCJNKMRWGKGJ-UHFFFAOYSA-N 447.482 5.464 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 900448 WILAECQAKXQKFQ-RTBURBONSA-N 430.886 5.769 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(F)cc2)nc(SCc2ccccc2Cl)n1 907698 PSVBBIJAUSSAFD-UHFFFAOYSA-N 433.961 5.601 0 40 IKAB Cc1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC2CCCC2)c2ccccc2)cc1 1367151 SSMCMOYIDHIEGR-HSZRJFAPSA-N 447.604 5.515 0 40 IKAB COc1ccc(C)cc1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 1380078 BKJCFBLNUOKQRJ-JOCHJYFZSA-N 438.549 5.105 0 40 IKAB CCN(CC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2c(-c3ccccc3)cccc12 1593718 LJMUOZPCFXRMEY-SANMLTNESA-N 430.979 6.597 0 40 IKAB O=S(=O)(Cc1ccccc1)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1723187 LVNDFAKBQMCCEG-SANMLTNESA-N 428.553 5.279 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)oc2ccc(OCc3ccc(F)cc3F)cc12 1828985 FLLJDNLEOSHXIV-UHFFFAOYSA-N 438.426 6.142 0 40 IKAB biogenic CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCCCC2)c(NC(=O)c2ccccc2)s1 1893196 PDGHFPSHTKIHAI-AREMUKBSSA-N 446.660 7.262 0 40 IKAB Cc1ccc2oc(-c3cc(NC(=O)OCc4ccc(C(C)(C)C)cc4)ccc3Cl)nc2c1 2050966 HETITNFEMMNXPO-UHFFFAOYSA-N 448.950 7.503 0 40 IKAB COc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)cc1 2074102 IKSQGATYBAXTKI-UHFFFAOYSA-N 435.936 5.690 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cc1C 2089003 BYWVDKZOKBKGCB-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2ccccc2F)cc1 2208786 QKGKOVFMCBETPY-UHFFFAOYSA-N 438.553 5.098 0 40 IKAB COc1ccc2c(c1)-c1c(ss/c1=N\c1ccc(Oc3ccccc3)cc1)C(C)(C)N2 2219035 VCMQONQMVOVEDO-LCUIJRPUSA-N 446.597 7.171 0 40 IKAB O=C(N/C(=C/c1ccc(Cl)cc1)S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2694748 DZUAOPWPGOOQPU-ZHZULCJRSA-N 432.328 5.196 0 40 IKAB Cc1cccc(NCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)c1 2887743 VVXXEVWOVZGGPW-UHFFFAOYSA-N 439.890 5.765 0 40 IKAB O=C(NC(=S)Nc1ccc(Oc2ccccc2)cc1)c1ccc(Br)cc1 3268831 PRMHUMWWDAWBRC-UHFFFAOYSA-N 427.323 5.368 0 40 IKAB Cc1ccccc1-n1nnnc1Sc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O 3329068 HJJVMBMIACQZEB-UHFFFAOYSA-N 445.935 5.284 0 40 IKAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655584 GMKNQEMBAHHEFI-HXUWFJFHSA-N 435.426 5.738 0 40 IKAB COc1ccc(CNCC[C@@H](c2ccc(OC(C)C)cc2)C2CCCCC2)cc1OC 6814140 PDOJPRSZBTWHHK-RUZDIDTESA-N 425.613 6.335 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 8606314 SXNHQIPFQGQCDN-NRFANRHFSA-N 432.476 5.107 0 40 IKAB Cc1ccc(Cl)cc1N1C(=O)N(Cc2ccc(Cl)cc2)c2ccccc2S1(=O)=O 8756944 CFEOOZCAWCTQNK-UHFFFAOYSA-N 447.343 5.637 0 40 IKAB CC(C)CCN1C(=O)C(C)(C)COc2ccc(NC(=O)COc3ccc(Cl)cc3)cc21 8959933 AEDKERFWJGTRES-UHFFFAOYSA-N 444.959 5.155 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@H]3c2ccccc2Cl)cc1 9066021 ZTXVXQYFQRBAAP-PKTZIBPZSA-N 430.870 5.283 0 40 IKAB CC(C)Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1 9095833 BQIKGRDEMHFRCY-UHFFFAOYSA-N 444.398 5.262 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)C)cc1)N(Cc1cccnc1)C3=O 9266956 PRKSRCZNGQNDEA-DEOSSOPVSA-N 438.527 5.674 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 9632358 LGCCAYZLMFGBIS-UHFFFAOYSA-N 446.507 5.007 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 9813989 KLTLAXBKBJWUMR-UHFFFAOYSA-N 435.578 5.417 0 40 IKAB C[C@@H]1C(=O)Nc2ccc(C(=O)CSc3nnc(-c4cccs4)n3-c3ccccc3)cc21 9944918 LYRHDLHXMAVQIZ-AWEZNQCLSA-N 446.557 5.026 0 40 IKAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc23)CC1 9951360 CMPNHCNFGMIIGN-UHFFFAOYSA-N 435.527 5.393 0 40 IKAB O=C(Cn1cc(SCc2ccc(Cl)cc2Cl)c2ccccc21)N1CCOCC1 10458122 UUDJRFCKUVBEOK-UHFFFAOYSA-N 435.376 5.099 0 40 IKAB c1ccc(C2(c3ccccc3)O[C@H](c3c[nH]nc3-c3cccs3)Nc3ccccc32)cc1 12376051 HUSBDYKTTRVDES-AREMUKBSSA-N 435.552 6.571 0 40 IKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccc(OC(F)(F)F)cc1)c1nc3ccccc3nc12 12402060 ZUKPCHLNQRQMCG-XZOQPEGZSA-N 441.453 5.496 0 40 IKAB CCOc1ccc(-c2csc(-n3nc(C)cc3NC(=O)COc3ccc(C)cc3)n2)cc1 12442179 CAFYBPIVNBHLRQ-UHFFFAOYSA-N 448.548 5.029 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)N1c2ccccc2Sc2ccccc21 12524925 UYMCYVPSWWUEDK-UHFFFAOYSA-N 448.598 6.203 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccncc3)n2C2CC2)c(C)n1Cc1ccccc1 12568836 DNCSPMKEPDSQHG-UHFFFAOYSA-N 443.576 5.117 0 40 IKAB O=C(CSc1nc(C(F)(F)F)nc2ccccc12)Nc1ccc(N2CCCCC2)cc1 12569554 PDPOGGYXDMNEOS-UHFFFAOYSA-N 446.498 5.370 0 40 IKAB O=c1c2c3c(sc2nc(SCc2ccc(Cl)cc2)n1-c1ccccc1)CCCC3 12625152 NMARJBSKBQHAHB-UHFFFAOYSA-N 439.005 6.272 0 40 IKAB Cc1ccccc1C(=O)N(Cc1ccc(Cl)cc1)Cc1cc2cccc(C)c2[nH]c1=O 12643669 ICLNOBUJFSTFQE-UHFFFAOYSA-N 430.935 5.641 0 40 IKAB Cc1ccc(-c2csc3ncn(CC(=O)Nc4c(C)cccc4C(C)C)c(=O)c23)s1 12808485 KBQBZAHYYFLQQO-UHFFFAOYSA-N 437.590 5.565 0 40 IKAB Cc1ccc(Sc2nc(SCc3ccccc3)nc3c2sc2ccccc23)cc1 12955123 DZTPPJFLYSKXBD-UHFFFAOYSA-N 430.623 7.596 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1 13026849 DZRYEZPHRSAGCX-VWLOTQADSA-N 430.548 5.073 0 40 IKAB Cc1ccc2nc(-c3ccc(Nc4nnc(Cc5csc(C)n5)s4)cc3)sc2c1 13041519 JLQFNOYPATXBOT-UHFFFAOYSA-N 435.603 6.223 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCCC1)N(Cc1cccs1)C(=O)c1ccccn1 13502155 ARHCETCYZZERJX-XMMPIXPASA-N 447.604 5.284 0 40 IKAB COc1ccc(CCNc2c3c(nc4cc(-c5ccc(F)cc5)nn24)CCCC3)cc1OC 13562776 UXITUOLABKNQCC-UHFFFAOYSA-N 446.526 5.086 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cn1Cc1ccccc1)Nc1ccc(Cl)cc1 13568325 FDCRVGAGUFVLAN-UHFFFAOYSA-N 433.964 5.983 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2 13695398 QOXXXGFYLFMPCE-UHFFFAOYSA-N 447.878 5.352 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)N(C(=O)Nc1ccc(Cl)cc1)CC2 13721091 GVCNDYNLPVVDAQ-QHCPKHFHSA-N 440.902 5.676 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=S)NC(=O)/C=C/c4ccccc4)cc3O)nc2c1 14270182 UXBUCNZZJSUQNJ-DHZHZOJOSA-N 443.528 5.344 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=O)COc4ccc(Cl)cc4Cl)ccc3o2)c1 14272544 DNNNDKCFSHJSPO-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)O[C@@H](C)C(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1 14706820 DJDSEVLSAYVVJO-HNNXBMFYSA-N 446.425 5.172 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 15005134 VNCQDFQTGCTRIF-HTAPYJJXSA-N 426.488 5.458 0 40 IKAB O=C(CCC1CCCCC1)Nc1cccc2c(NC(=O)CCC3CCCCC3)cccc12 16431581 JFJSSMKPHMRLHU-UHFFFAOYSA-N 434.624 7.438 0 40 IKAB S=C(Nc1ccccc1)Nc1cc(Cl)c(NC(=S)Nc2ccccc2)cc1Cl 16489991 RVPHWJKHXIVCEV-UHFFFAOYSA-N 447.416 6.611 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2nc3ccc(F)cc3s2)c1Cl 17098634 VJZHSHVTIBDJTH-UHFFFAOYSA-N 433.719 6.030 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)cc1 17099769 MTQRCEJWJKQNSR-OAHLLOKOSA-N 435.911 6.074 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Br)cn1 17101860 TUGLMHNXJRICRR-ZZXKWVIFSA-N 438.108 6.063 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3cccc4ccccc34)n2CC)cc1 19645045 NOOXQRWFSMIEHZ-UHFFFAOYSA-N 446.576 5.323 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)c3nc4ccc(F)cc4[nH]3)CC2)n1 19691224 JPXIOELTZUQYPP-UHFFFAOYSA-N 432.474 5.231 0 40 IKAB C[C@@H](CN1CCC(Cc2ccccc2-c2cccnc2)(C(=O)N(C)C)CC1)c1ccccc1 19700179 QCFZTLRUEGWSHE-QHCPKHFHSA-N 441.619 5.265 0 40 IKAB CCC(C)(C)c1ccc(OCCCC(=O)NCCCN2CCOCC2)c(C(C)(C)CC)c1 19832008 LKOLRZFAMABJAY-UHFFFAOYSA-N 446.676 5.059 0 40 IKAB COc1ccc(NC(=O)COc2c(C)cc(Cl)cc2Cl)cc1-c1ccc(CO)o1 20144545 NOURGCCVCMFJMD-UHFFFAOYSA-N 436.291 5.080 0 40 IKAB CCc1ccc2ncc(S(=O)(=O)c3ccc(C)cc3)c(NCc3ccc(C)cc3)c2c1 20382422 KPTZJDSRQYQWFY-UHFFFAOYSA-N 430.573 5.859 0 40 IKAB O=C(CSc1nc(-c2cccs2)nc2ccccc12)N1CCC[C@@H]1c1cccs1 21846065 KGSPDAPFLPLRGV-QGZVFWFLSA-N 437.615 5.876 0 40 IKAB O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(CSc2ccccc2)cc1 26409580 XCUDGSSQAOUVAV-NRFANRHFSA-N 446.572 5.140 0 40 IKAB Cc1cc(C)nc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)n1 26770837 OVLBQOXMHYBELL-QHCPKHFHSA-N 442.588 6.226 0 40 IKAB O=C(COc1ccc(Br)cc1)N(Cc1ccccc1Cl)c1ccccn1 28403708 KQVMAOBPLJHNBN-UHFFFAOYSA-N 431.717 5.110 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)nc(-c3ccccc3)c2NC(=O)c2ccccc2)cc1 28405498 ARMRTSBGPOOWSQ-UHFFFAOYSA-N 429.523 6.767 0 40 IKAB CCCCCCOc1ccc(/C=C2\C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2O)cc1 33770444 SZMDYQJAMVTHPS-HKWRFOASSA-N 426.900 5.806 0 40 IKAB O=C1N(Cc2ccc(Cl)cc2Cl)c2ccccc2[C@@]12NCCc1c2[nH]c2ccccc12 35323525 WFPVBYJDLCCKPO-VWLOTQADSA-N 448.353 5.411 0 40 IKAB O=C(c1ccccc1)N1CCCc2ccc(NC(=O)C3(c4cccs4)CCCC3)cc21 38677778 BMJMMIDQICFYGX-UHFFFAOYSA-N 430.573 5.792 0 40 IKAB CCSc1ccccc1NC(=O)C1CCN(Cc2ccc(Br)cc2)CC1 44938639 WXXKUZSTCOOWMX-UHFFFAOYSA-N 433.415 5.412 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(CCCCN2C(=O)CC4(CCCC4)CC2=O)[C@@H]3CCC1 57049725 MKXJUHPZFKVOIT-XMMPIXPASA-N 447.623 5.132 0 40 IKAB biogenic Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)cc1Cl 59109459 FXOUVWKBHMLWJA-UHFFFAOYSA-N 435.936 5.078 0 40 IKAB CC(C)(C)c1ccc(CSc2nc3ccccc3c(=O)n2Cc2ccccc2Cl)cc1 67258510 VAPKOYSAQMNOJN-UHFFFAOYSA-N 449.019 6.688 0 40 IKAB COc1cccc(Cn2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)c1 67258763 VCMRQIAYZNRNMB-UHFFFAOYSA-N 444.600 6.043 0 40 IKAB O=C(NC1(c2ccc(Cl)cc2)CCCCC1)NC1(c2ccc(Cl)cc2)CCCCC1 69533262 XTKISVJHJYKPOV-UHFFFAOYSA-N 445.434 7.312 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2Cc2ccccc2)cn1)C1CCCCC1 72215672 KXOBNANCGZVSSZ-XMMPIXPASA-N 435.612 6.493 0 40 IKAB CC(=O)OC1=CC2=CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@]2(C)CC1 100646696 DGCXQKBLGRZRTK-QKUDDLIUSA-N 426.685 8.085 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 101189682 GTRPLYPQJHNAGH-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@H]2c2cccnc2)C[C@@H](c2ccc(Cl)cc2)C1 102673515 YCTKTUKPUOEWDH-OSPHWJPCSA-N 426.907 6.150 0 40 IKAB OC1=C2C(=Nc3nc(C(F)(F)F)nn3[C@H]2c2c[nH]c3ccccc23)C[C@@H](c2ccccc2)C1 102689719 WMTVKRCQBJIXBW-SZNDQCEHSA-N 449.436 5.843 0 40 IKAB FC(F)(F)c1cccc(N2N=N[C@@H]3CCC/C(=C/c4ccccc4)[C@]32N2CCOCC2)c1 103462447 KFXWBCPFNYJMKN-KCSYDQSISA-N 442.485 5.557 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc(Cl)c1O 106741828 VPLYILYQFLCLIS-CHHVJCJISA-N 428.268 5.083 0 40 IKAB COc1c(Br)cc(C(=O)Nc2cccc(C)c2C)cc1OCc1ccccc1 107743784 QKUFGIDOOSVWGE-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O)Nc1ccccc1 214662459 NSSZGLROEVVUSA-XDHOZWIPSA-N 438.892 5.275 0 40 IKAB CC(C)c1ccc(OCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)c(Br)c1 218873758 AKWYBRQARUXKLV-MRXNPFEDSA-N 432.402 6.126 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCC1)Nc1ccc(N2CCCCC2)nc1 223988229 PJOSEDGPPGLPLI-UHFFFAOYSA-N 429.033 5.524 0 40 IKAB Cc1cccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 224065595 VOMKBJVOYPONKH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccccc3)cc2Cl)c1 224228926 DWSXLPLBUUFLER-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1C 224375254 ZEADFPYBUQSBII-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1COc1cccc(C)c1 224384288 UQEQXXWMDSNFGK-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224634488 TYTUCGBUESGKQB-URPBSQGJSA-N 432.589 5.392 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2Sc2ccccc2)c(I)c1 225020161 ZCTNVZHZEIEJOK-UHFFFAOYSA-N 445.325 6.003 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCS/C2=C/c2csc(NCc3ccccc3)n2)cc1 225255833 NOXSCRQGDUPFLU-PXLXIMEGSA-N 449.645 6.240 0 40 IKAB Cc1cc(NC(=S)NCCSCc2ccc(Cl)cc2)ccc1Br 225302483 TZJWGIAYWJYRDL-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225327859 XGWHFXAORBWHNZ-XMMPIXPASA-N 441.015 5.529 0 40 IKAB S=C(NCCCSCc1ccco1)Nc1ccc(CSc2ccccc2)cc1 225593750 YSDWUBDUHXPHDL-UHFFFAOYSA-N 428.648 6.182 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@H](c3ccccc3)c3ccc(C)cc3C)ccc2c1 225612913 OMOPLLTUWPSSJJ-AREMUKBSSA-N 431.557 5.533 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 225615300 UYFPFOCGIVIFNY-XMSQKQJNSA-N 447.044 5.295 0 40 IKAB COc1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1OC 225627635 YNCPQNKRONYBFK-UHFFFAOYSA-N 443.794 5.039 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(Br)cc2)c2ccccc2)c(C)c1 225767251 GYFVNXQKOASCLS-NRFANRHFSA-N 425.395 6.142 0 40 IKAB CCOC(=O)/C=C/c1cc(Cl)c(OCc2ccccc2Cl)c(Br)c1 226341301 COVKDJJPMQRPLA-BQYQJAHWSA-N 430.125 5.911 0 40 IKAB CC(=O)N[C@@H](CSC/C=C(\C)CC/C=C(\C)CC/C=C(/C)CCC=C(C)C)C(=O)O 299888586 PKFBJSDMCRJYDC-CYMIXUBQSA-N 435.674 6.455 0 40 IKAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2c(CC)cccc2CC)cc1 408676396 NOKIJNBFOPWEKI-UHFFFAOYSA-N 440.543 5.951 0 40 IKAB CC(C)(C)c1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NCCc2ccccc2)cc1 409123102 DTXLOLSLQLRXOB-OBGWFSINSA-N 426.560 5.609 0 40 IKAB Cc1ccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C)c(Cl)c4)OC3=O)cc2)cc1 409203723 YQNIRJHSXZXVHB-XKZIYDEJSA-N 431.875 5.521 0 40 IKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(Cc3ccc(F)cc3)n2)c1 585265093 GAMOTMIYUOSWRU-UHFFFAOYSA-N 427.475 6.064 0 40 IKAB CCCCN1CCOc2ccccc2CCCCC2(CCN(C(=O)c3cccnc3)CC2)C1 643588823 MJCCAHWYLDKUTH-UHFFFAOYSA-N 449.639 5.212 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 1848355936 VLJAAWSSPDSBKY-QHCPKHFHSA-N 428.532 5.273 0 40 IKAB CCc1ccc(NC(=O)c2sc3nc4c(c(-c5ccc(C)o5)c3c2N)CCCC4)cc1 756799 AMRGOBUQBWEOLU-UHFFFAOYSA-N 431.561 6.140 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)c1 786806 YKFRAZHSIWPNJM-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB Cc1cc(Oc2coc3cc(O[C@H](C)C(=O)OC(C)C)ccc3c2=O)cc(C)c1Cl 950742 YXCLQKNOAMHKLS-OAHLLOKOSA-N 430.884 5.574 0 40 IKAB CCOC(=O)c1ccc(N[C@H](c2ccc(OC)c(OC)c2)c2c(C)[nH]c3ccccc23)cc1 956923 FIRWJRKWKBDSMQ-AREMUKBSSA-N 444.531 5.872 0 40 IKAB COc1ccc(-c2cc(C(=O)OCC(=O)c3ccc(C)cc3)c3cc(C)ccc3n2)cc1 991047 NORQRIMVEQLNFG-UHFFFAOYSA-N 425.484 5.567 0 40 IKAB CN[P@@](=O)(Oc1cc(Cl)c(Cl)cc1Cl)N1CCN(c2ccccc2C)CC1 1683834 CMHPBWSNDXVJQX-HHHXNRCGSA-N 448.718 5.484 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccccc1C(F)(F)F)CCCC2)c1ccccc1 1933546 XKNSGTHKFNEOTI-UHFFFAOYSA-N 444.478 6.150 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)cc3)cc(C(=O)OCC(=O)c3ccc(F)cc3)c2c1 2079735 DYXVUGJHSCENCB-UHFFFAOYSA-N 433.866 6.042 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3nc4ccc(OC)cc4s3)sc2c1 2279778 BBYWZZUGOPFVSE-UHFFFAOYSA-N 431.564 5.044 0 40 IKAB CCOc1cccc2cc(-c3nc(-c4cccc(Br)c4)cs3)c(=O)oc12 2294411 BFFYEXIMMDTACV-UHFFFAOYSA-N 428.307 5.745 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(F)cccc2Cl)o1 2361068 JGSRVEJWRTVZMR-ABAIWWIYSA-N 429.945 5.766 0 40 IKAB O=C(Nc1ccc(SC(F)(F)F)cc1)c1sc2c(ccc3ccccc32)c1Cl 2562107 WVVFKYWYEWZCGD-UHFFFAOYSA-N 437.895 7.572 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(N2CCOCC2)cc1 2643208 UBOVRSLYUZTIKU-UHFFFAOYSA-N 431.561 5.155 0 40 IKAB CC(=O)c1cccc(NC(=O)c2cc(-c3ccc(Cl)c(Cl)c3)nc3ccccc23)c1 2737693 LWLKRABOQSQTOZ-UHFFFAOYSA-N 435.310 6.664 0 40 IKAB COc1ccccc1CC(=O)Nc1ccc(-c2noc(COc3cccc(C)c3C)n2)cc1 2931032 NUHTXEUVPYPJAQ-UHFFFAOYSA-N 443.503 5.122 0 40 IKAB O=C(N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl)c1ccccc1Cl 3109645 YJPUDPAXZVZCNE-AWEZNQCLSA-N 429.583 6.212 0 40 IKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccccc3)o2)cc1 3200513 GMRNCMJDTIEXIG-UHFFFAOYSA-N 438.936 5.748 0 40 IKAB Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)c(Cl)c1 3263858 HYUFCEJRSJDZIW-UHFFFAOYSA-N 438.449 7.035 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 3309527 PQDHVPIMRAKEPJ-UHFFFAOYSA-N 444.314 5.676 0 40 IKAB COc1cccc(-n2c(SCCCC(=O)c3ccccc3)nc3ccccc3c2=O)c1 3358803 SUHVXQKZMUHPGR-UHFFFAOYSA-N 430.529 5.150 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)Nc1ccccc1F 3407626 LRIGFAQKUGVDPU-AWEZNQCLSA-N 444.963 5.972 0 40 IKAB CCn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccco1 8620510 GFVCUPQZUKMLQX-UHFFFAOYSA-N 431.732 5.249 0 40 IKAB Cc1cc(Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)c2ccc(C(F)(F)F)cc2n1 8870906 ZBBXNADCXKYAOC-UHFFFAOYSA-N 449.498 5.480 0 40 IKAB CCC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)c2ccccc2OC)c2ccccc21 9190030 LEGIQMMIBHNQFE-DVECYGJZSA-N 428.532 5.619 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)c1C 9207163 ZQRIMWZNSIHLEA-KRWDZBQOSA-N 448.548 5.347 0 40 IKAB CC(C)Sc1nc2sc3c(c2c2nnc(SCCc4ccccc4)n12)CCCC3 9292213 VYAAZYRSCDCTPT-UHFFFAOYSA-N 440.663 6.053 0 40 IKAB CCOc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9428024 AWHOBWRTCZBIFZ-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB Cc1cc(C(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c(C)n1Cc1ccco1 9442498 RZKIVPMTBHXWTM-UHFFFAOYSA-N 426.929 5.160 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3ccc(OCc4c(C)noc4C)cc3)cc2)cs1 9477931 VAFPWRSARGGNFL-UHFFFAOYSA-N 447.560 5.275 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1ccc(SCc2ccccc2Cl)nn1 9578259 OAOYEOIVCKNEMO-UHFFFAOYSA-N 427.957 6.660 0 40 IKAB CC(C)n1ncc2c(C(=O)N3CCC[C@H]3c3nc4ccccc4s3)cc(C3CC3)nc21 9670226 XGHSXUHHGBWSHS-FQEVSTJZSA-N 431.565 5.477 0 40 IKAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1 9730038 ORYQZRQEHMUKKO-UHFFFAOYSA-N 428.941 5.116 0 40 IKAB COc1ccccc1C(=O)N1c2c(OC)cccc2-c2c(ssc2=S)C1(C)C 9926594 WGCVMQBNKKNVLU-UHFFFAOYSA-N 429.588 6.119 0 40 IKAB CSc1cccc(NC(=O)CN2C(=O)CC(c3ccc(C)cc3C)=Nc3ccccc32)c1 10273938 DIPXVRQEKVSXLY-UHFFFAOYSA-N 443.572 5.522 0 40 IKAB Fc1ccccc1[C@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@H]2c1ccsc1 10336757 KTCBMXXVDGBOPP-PMACEKPBSA-N 437.887 5.087 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)CCSc4ccc(Cl)cc4)n3)oc12 10748753 OFFAIOQFRNMMGY-UHFFFAOYSA-N 444.965 6.339 0 40 IKAB c1ccc(C2(c3ccccc3)NC(CC34CC5CC(CC(C5)C3)C4)=Nc3ccccc32)cc1 12376049 UNSMIYQZKLZESO-UHFFFAOYSA-N 432.611 7.218 0 40 IKAB Cc1cc2nc(N3CCN(C(=O)c4cccc(Oc5ccccc5)c4)CC3)sc2cc1C 12468903 GGHQOSGMGXNFDR-UHFFFAOYSA-N 443.572 5.668 0 40 IKAB Cc1cc2cc(CN(Cc3ccc4c(c3)OCO4)C(=O)c3ccco3)c(Cl)nc2cc1C 12493864 NAWGFDDTYFMAKS-UHFFFAOYSA-N 448.906 5.669 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(C2SCCS2)cc1)c1ccc2c(c1)OCCCO2 13096009 LAUGTUJVYPOUNG-NRFANRHFSA-N 429.607 5.454 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 13687769 PIVDVENHVQIRJS-UHFFFAOYSA-N 445.971 7.323 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OCc1cccc(C)c1 13893895 BNDGNSIWSRIWOA-BKUYFWCQSA-N 433.891 5.581 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(Cc1cc(-c3cccs3)on1)CC2 14184943 PDEGQXCHTCVOJV-QHCPKHFHSA-N 438.574 5.630 0 40 IKAB CC(=O)N(c1nc(CSc2ncnc3sccc23)cs1)c1ccc(C)cc1C 14242940 RKXFPSYROHKYSA-UHFFFAOYSA-N 426.592 5.742 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NC12CC3CC(CC(C3)C1)C2 14358387 WXJMICZGOAREPL-BAMAOYLXSA-N 428.926 5.880 0 40 IKAB C[C@@H](Cc1ccc2oc3ccccc3c2c1)NC(=O)COc1ccc(Cl)cc1Cl 15108372 JMWYXUYPYJVXCZ-AWEZNQCLSA-N 428.315 6.019 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@@H](CC(CNC(=O)c5cc(Cl)cc(Cl)c5)(C4)C2)C3)cc1 16134297 PMPBQIRTDPERNY-FLCJAFJVSA-N 428.403 6.570 0 40 IKAB CCCCOC(=O)c1cc(NC(=S)NC(=O)c2cccc3ccccc23)ccc1Cl 16638938 OROVPMHTQHQOFE-UHFFFAOYSA-N 440.952 5.577 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(Oc3ccccc3)c2)N1Cc1ccco1 16806306 QAJZLOJSBMOEOY-RUZDIDTESA-N 449.462 5.924 0 40 IKAB CCOc1cc(/C=C(\Cl)c2nc(-c3ccsc3)no2)cc(Br)c1OC 18917647 OHDXZXCVKGONEE-QPEQYQDCSA-N 441.734 5.705 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2F)C1 19236831 GRWXCKRXPOPWKB-CJFMBICVSA-N 435.518 5.052 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(C)c4)cc3)nc2c1 19638920 VKIIABNNPFEJTR-KRWDZBQOSA-N 443.572 6.444 0 40 IKAB Cc1nc2c(-c3ccc(Cl)cc3)c(C)nn2cc1C(=O)Nc1cccc(C(F)(F)F)c1 19642166 YJGAHKGJXBBCAU-UHFFFAOYSA-N 444.844 5.938 0 40 IKAB O=c1c2ccccc2n2c(=S)sc(-c3ccc(F)cc3)c2n1Cc1ccc(F)cc1 20378430 JBJZXWQTPZTWFS-UHFFFAOYSA-N 436.508 6.039 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4cccc(C)c4C)ccc32)cc1 20765987 AMWUETXKCWIRSP-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2C)ccc1OCc1ccc(Cl)cc1 20880458 ALWSAZNGZJHLHY-UHFFFAOYSA-N 425.912 5.936 0 40 IKAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(-c2cccc(C(F)(F)F)c2)o1 21973219 PHKFXGNTPBVMHB-UHFFFAOYSA-N 425.410 5.140 0 40 IKAB CCc1ccccc1N(CC(=O)Nc1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1 22275600 ZETYRHSUAFHKPS-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB CCOc1cccc([C@H]2c3c(-c4ccc(C)cc4)nn(C)c3C(=O)N2Cc2ccccc2)c1 32593603 XAZFLAOCVCXSHU-SANMLTNESA-N 437.543 5.540 0 40 IKAB Cc1cc(NC(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)ccc1N1CCCC1=O 32905555 OYHCTXSVKMCOCJ-UHFFFAOYSA-N 432.907 5.259 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)csc3c(=O)n2C)c1C 33262614 VOSUJBBXBQSPOA-UHFFFAOYSA-N 435.574 5.010 0 40 IKAB Cc1ccc2[nH]c(SCc3noc(CCC(=O)Nc4cc(Cl)ccc4C)n3)nc2c1 33270726 KAQPDBWCZPMHQJ-UHFFFAOYSA-N 441.944 5.080 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)C(F)(F)F)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 33678705 YEZSNQKEGVPQEH-CYBMUJFWSA-N 438.515 5.961 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CN(CCC(C)C)CC(=O)c1c(C)[nH]c2ccccc12 35535117 CKQYODYDVMLAKX-UHFFFAOYSA-N 429.564 5.680 0 40 IKAB COc1ccccc1N1CCN([C@H](C(=O)c2c(C)[nH]c3ccccc23)c2ccccc2)CC1 37100535 YJOOUQNKLQYYDY-MHZLTWQESA-N 439.559 5.231 0 40 IKAB O=C(NCC1(c2cccs2)CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 38940135 PXJWVTJODGBYJO-UHFFFAOYSA-N 437.405 5.264 0 40 IKAB O=C(NCCSCc1cccc(Cl)c1)C1CCN(Cc2ccccc2Cl)CC1 39755522 QCWBFMFISUZSMS-UHFFFAOYSA-N 437.436 5.255 0 40 IKAB COc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(C)c2)cc1 41098051 CNYWHNQOSXZMSM-UHFFFAOYSA-N 434.543 6.059 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1ccc(Br)c(Cl)c1 44903283 PWVVYFMLOUSTGE-UHFFFAOYSA-N 439.589 6.281 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44947925 QUZNLEXTUZJDPQ-FQEVSTJZSA-N 426.409 5.817 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(OCc3cscn3)cc2)n1-c1ccccc1 45866004 PSBHQFDEHJADCM-NTCAYCPXSA-N 437.524 5.592 0 40 IKAB Cc1cc(SCC(=O)Nc2ccccc2Br)nc(-c2ccc(F)cc2)n1 49007041 YSVNMUFLBNLDBQ-UHFFFAOYSA-N 432.318 5.084 0 40 IKAB Cc1cccc(-c2nnc(NC(=O)c3cc4ccccc4o/c3=N\c3ccccc3)s2)c1 57523736 CAPAMMSHBGGOQD-RWEWTDSWSA-N 438.512 5.744 0 40 IKAB Cc1ccc2c(C(=O)CSc3nnc(-c4ccsc4)c(-c4ccsc4)n3)c[nH]c2c1 57742576 PCRFZXDGUVLISB-UHFFFAOYSA-N 448.598 6.093 0 40 IKAB COC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 67297176 WAIDPWXGDVSAAL-RFBIWTDZSA-N 426.472 5.321 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(Cl)cc2)cc1 72328280 XHQSGKKFEABUHX-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB COc1cc([C@H]2Nc3nonc3N=C3C[C@H](c4ccc(Cl)cc4)CC(O)=C32)ccc1O 102743971 ARMOYIVKYFSWTF-RNODOKPDSA-N 438.871 5.066 0 40 IKAB C[C@@H]1C[C@@H](C)CN(P(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)C1 102972662 WWALZUPRANOMKH-UISPZQSHSA-N 434.347 7.717 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3cc4c(cc3Cl)OCO4)C2=O)c2ccccc2n1C 106738522 VOEKFOLNOMCVJE-ZBKNUEDVSA-N 440.908 5.105 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1C 222971364 OWJAKNUGUNDKBB-KRWDZBQOSA-N 449.422 5.485 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 224039408 ISFJXYZAXYRZOJ-LJQANCHMSA-N 445.003 5.139 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1C 224276082 DEZVUGPSBUBPEP-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 224348689 OOPOQACCUQVDFP-XMMPIXPASA-N 436.983 5.369 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 224462563 SLLSZLWQRBZNAV-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 224811762 DELYOMPRPKKERI-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 224838900 ZABIZUPJKQRCDG-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@H](C)C[C@@H](C)C4)cc3)CCCCC2)c1 225539927 FHOKZLOZHOOOTM-DNQXCXABSA-N 448.651 6.192 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225576213 ZQGNMOHJZOTXFP-UHFFFAOYSA-N 441.399 5.253 0 40 IKAB CCCOc1ccc(C(=O)O)cc1[C@H]1C[C@@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1 257206366 BDBFHLVOWGEJAR-ZDXQCDESSA-N 445.943 5.315 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2ccccc2)CCN(C(=O)[C@@H]2CC=CCC2)CC1 257302837 SERDTRQQCRJSHA-XMMPIXPASA-N 444.619 5.387 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCCC[C@H]1c1ncc(Cc2ccccc2)o1 257307423 SYORJZIGQOAZKN-QFIPXVFZSA-N 431.467 5.427 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)c(C)s/c1=N\C(=O)c1ccc(Cl)cc1Cl 408561107 GQIUNUOZRMPPGV-NMWGTECJSA-N 425.768 6.246 0 40 IKAB Fc1cccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3Cl)cc2Cl)c1 408612159 UQSIMOSHCQRJJK-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB CCc1nc(S/C(=C\c2ccc(OCc3cccc4ccccc34)cc2)C(=O)O)n[nH]1 408633205 XBPZEQBFBDDZIM-STZFKDTASA-N 431.517 5.317 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)cc1C 408640863 KARISZSTXVQOBS-SFHVURJKSA-N 434.923 5.741 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccc3Cl)sc2c1)c1ccc(Cl)cc1 408750488 NUJGYSXSDKTZCX-UHFFFAOYSA-N 445.396 7.148 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(F)c1 408810521 JKLRYLHNEYMIHA-HAHDFKILSA-N 449.503 6.044 0 40 IKAB CCOc1cc(/C=C2/N=C(Cc3ccccc3)OC2=O)ccc1OC(=O)c1ccc(C)cc1 408844735 PFUYLYDSWVBQHV-PXLXIMEGSA-N 441.483 5.152 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409342998 HEGAEKFQBJAODE-REIAIGDLSA-N 438.549 5.156 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 409378492 QDZZDSWARGYTAH-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB FC(F)(F)c1nc(-c2cc(C3CCN(Cc4ccnc5ccccc45)CC3)ccn2)no1 585266299 JBMWNKCOARIYRJ-UHFFFAOYSA-N 439.441 5.078 0 40 IKAB CC(C)n1c([C@H]2CCCN2C(=O)C[C@@H](c2ccsc2)n2cccc2)nc2ccccc21 1614476540 GQAKJZTVKXZKKR-PKTZIBPZSA-N 432.593 5.823 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)n[nH]2)cc1 2037724445 UYGORJYFEVARJO-HSZRJFAPSA-N 430.483 5.080 0 40 IKAB O=C(O)COc1cccc2c(CCC(=O)NC(c3ccccc3)c3ccccc3)cccc12 601786 YAPFKFDLARVWDB-UHFFFAOYSA-N 439.511 5.142 0 40 IKAB in-vitro CCOC(=O)c1c(NC(=O)c2ccccc2Cl)sc(C(=O)Nc2ccccc2)c1C 653265 VDFYYVKLJQXMLM-UHFFFAOYSA-N 442.924 5.391 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2cccc3ccccc23)C1 722411 QLMGUWITSSSZMA-CQSZACIVSA-N 436.533 5.082 0 40 IKAB COc1ccc(C=O)cc1CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 1336278 PIVHHSVLNPZUAB-UHFFFAOYSA-N 426.567 5.193 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1 1341575 CRAJMSOVKKTUKS-AREMUKBSSA-N 444.575 5.463 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)[C@H](C)CCC3 1796039 AMIVHAIFHNGABY-QGZVFWFLSA-N 426.651 6.868 0 40 IKAB Cc1ccc(C(=O)N[C@H](Nc2ccc(Cl)c(Cl)c2)C(Cl)(Cl)Cl)cc1 2054624 BBRXWDVROGCEFJ-HNNXBMFYSA-N 426.558 5.840 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2cc3occ(-c4ccc(Br)cc4)c3cc12 2115153 VPSCLNILVNNWPG-UHFFFAOYSA-N 445.312 6.868 0 40 IKAB biogenic COC(=O)c1c(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCC2 2131825 SBWVMCVMQLPONZ-SNVBAGLBSA-N 428.337 5.126 0 40 IKAB Cc1ccc(N2C(=O)[C@@H](Oc3ccc(Cl)cc3C)[C@H]2c2ccccc2Cl)cc1C 2192791 AKBHEZHCQDZOJK-PKTZIBPZSA-N 426.343 6.454 0 40 IKAB Cc1ccc(CNC(=O)c2c(N)n(-c3cc(C)cc(C)c3)c3nc4ccccc4nc23)cc1 2249324 JAKPYLFEERYYLT-UHFFFAOYSA-N 435.531 5.011 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)cc1 2331359 JFDYDLPZTBRQPZ-OAQYLSRUSA-N 442.471 5.600 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCCOc2ccc(Br)cc2)n1 2625347 FAENIFKIDRUFAX-UHFFFAOYSA-N 440.750 5.067 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(Nc4ccccc4SC)ncnc32)cc1 2974695 PUMYRTIWOJDSCW-UHFFFAOYSA-N 438.556 6.562 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012743 JAGVVJLHFILJON-OALUTQOASA-N 430.430 5.113 0 40 IKAB CCCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(Br)cc3)C2)cc1 3024367 CTGZSXAVSAOWGC-MRXNPFEDSA-N 445.357 5.010 0 40 IKAB CCNc1nc(CSc2ccc(Br)cc2)nc2sc3c(c12)CCCC3 3281219 VNGBGRJCDODKNU-UHFFFAOYSA-N 434.428 6.057 0 40 IKAB COC[C@@H](C)n1c(C)cc(C(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)c1C 3299235 RPNHXEWPTASUGW-DDLUMYACSA-N 443.590 5.402 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)Nc1ccc(F)cc1Cl 3308053 SGUIRAQLDFHGOC-UHFFFAOYSA-N 442.903 5.110 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 3331739 MAWAJVRPNKNKJH-JOCHJYFZSA-N 440.553 6.142 0 40 IKAB CCC(=O)Oc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](OC(=O)c3cccnc3)CC[C@@H]12 4215839 FXMSQUVSUXBBAB-TXDQRGGKSA-N 433.548 5.479 0 40 IKAB biogenic,in-man CC[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(C(C)(C)C)cc3)c2C(=O)OC)C1 6119501 MFHAQRDSARVITJ-HFQYIWAZSA-N 425.594 5.999 0 40 IKAB CCn1c(S[C@@H](C)C(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccnc1 6878520 AOYSFQOMUDJRNG-SFHVURJKSA-N 429.549 5.206 0 40 IKAB Brc1ccc([C@@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)o1 8386340 GVJMVYKQDNRJPG-HSZRJFAPSA-N 432.317 6.475 0 40 IKAB COc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 8752513 SCNCCWHXBSITJO-QFIPXVFZSA-N 439.559 5.737 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2ccccc2c1 8921987 JTCQJDQMFBKFGY-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB CCOc1ccc(CC(=O)NCCSc2c(-c3ccc(F)cc3)[nH]c3ccccc23)cc1 8924104 CWTRSWBKXVKRGW-UHFFFAOYSA-N 448.563 5.824 0 40 IKAB CSc1ccc([C@@H]2c3c(n[nH]c3-c3ccccc3O)C(=O)N2CCc2ccccc2)cc1 9124431 CDITWNYKUCODQM-RUZDIDTESA-N 441.556 5.292 0 40 IKAB CCCCn1nc(C)c(C(=O)N[C@H](Cc2ccccc2)c2nc3ccccc3[nH]2)c1Cl 9223950 LPAPCQTXEGMPRK-HXUWFJFHSA-N 435.959 5.235 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2cccc(Cl)c2)c1 9431068 UTTZSHUFVNPHHL-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB O=C(CSc1nc(NCc2ccc3c(c2)OCO3)c2ccccc2n1)c1ccc(F)cc1 9475006 XGENEBNLWKASHO-UHFFFAOYSA-N 447.491 5.085 0 40 IKAB Cc1ccc(N[C@@H](c2nnc(-c3cccc(F)c3)o2)c2ccc(F)cc2Cl)c(Cl)c1 9606525 PBGXZANPRWDLNE-HXUWFJFHSA-N 446.284 6.832 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)[nH]c2c1 9613452 KNPFMZNYCUUKBY-UHFFFAOYSA-N 429.851 5.365 0 40 IKAB Cc1ccccc1Nc1nnc(SCC(=O)Nc2ccccc2Br)s1 9616741 XSTZFTUBWPAMLC-UHFFFAOYSA-N 435.372 5.083 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)/C=C/c1nc3ccccc3o1)CC2 9831888 KIUDSROEPQUHFG-QSRYBZNWSA-N 440.499 5.033 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccccc3)cc(C(F)(F)F)c12 9933406 LIEGPKKYBZCHOM-UHFFFAOYSA-N 432.243 6.177 0 40 IKAB Cc1nc(SCc2nnc(-c3c(-c4ccccc4)noc3C)o2)n(C2CCCCC2)c1C 10869053 UDJOYUZWIUCMEB-UHFFFAOYSA-N 449.580 6.311 0 40 IKAB COc1ccc(OC)c(NC(=O)CSc2nc(-c3cccs3)nc3ccccc23)c1 12424653 OMSYJLONHFDLCF-UHFFFAOYSA-N 437.546 5.106 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccc(F)cc1)Nc1cc(Cl)cc(Cl)c1 12623509 NNMXTAHDEMWJHW-UHFFFAOYSA-N 448.277 5.507 0 40 IKAB C[C@H](NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1ccccc1 12822595 DSFMIMVRUFJMJF-LBPRGKRZSA-N 427.348 5.401 0 40 IKAB Fc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc(-c3ccccc3)nn21 13015628 DNYHUBMKKVFGIZ-LEWJYISDSA-N 449.327 5.993 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)cc1 13026651 QZQFHGQXUSKXIP-VWLOTQADSA-N 446.547 5.352 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(F)(F)F)cc3)nc3ccccc32)c1 13108932 NGVUJMXYSKJBHG-UHFFFAOYSA-N 441.478 6.084 0 40 IKAB Cc1nc(COc2cccc(C(=O)Nc3nc4c(ccc5ccccc54)s3)c2)cs1 14231038 QBKSUUBTSBJDBZ-UHFFFAOYSA-N 431.542 6.046 0 40 IKAB c1ccc2nc(-c3ccc(COc4ccc(-c5cnc6ccccc6n5)cc4)cc3)cnc2c1 15321515 ZHGABYPSVSXAJN-UHFFFAOYSA-N 440.506 6.486 0 40 IKAB CC(C)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)cc1 15509162 PTEACAYZKUYGJQ-UHFFFAOYSA-N 436.577 5.003 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NC(=S)Nc2nc3cc(Cl)c(C)cc3s2)c1 16291115 AFYLOHSVUBPQHY-UHFFFAOYSA-N 448.013 5.582 0 40 IKAB CC(C)Cc1ccc([C@H](C)c2nc3ccccc3n2Cc2ccc(Br)cc2)cc1 16740588 XUOCLBJLWCDMFO-IBGZPJMESA-N 447.420 7.197 0 40 IKAB CC(C)C[C@H](C)OC(=O)/C=C(\CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 16891625 PKLUSOSWJPKLAL-QFQDSRDKSA-N 426.594 5.236 0 40 IKAB Cc1ccc(-c2ccc(/C=C3/N=C(c4cccc(Br)c4)OC3=O)o2)cc1Cl 17086215 QZAWIBISWLBPJM-WOJGMQOQSA-N 442.696 6.015 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 17095270 OXXLQJPHWWQLNC-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CC1(C)CC(N(Cc2ccncc2)Cc2ccccc2OCc2ccccn2)CC(C)(C)N1 19461047 XLDSOTWELHUDHQ-UHFFFAOYSA-N 444.623 5.367 0 40 IKAB CCOC(=O)c1ccc(N(Cc2c(Cl)cccc2Cl)C(=O)c2cccc(C)c2)cc1 19635422 BINBFHWSZMFGEQ-UHFFFAOYSA-N 442.342 6.326 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3ccc(C)c(C)c3)c(Cl)c2-c2ccc(C)c(C)c2)o1 19648229 UDGGFVWPSHFBJX-UHFFFAOYSA-N 448.950 6.532 0 40 IKAB Cc1cc(C)nc(Sc2ccc(NC(=O)c3ccc(OC[C@H]4CCCO4)cc3)cc2)n1 23012402 HGASNTUXHCXJHU-OAQYLSRUSA-N 435.549 5.055 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(SCc2ccc(Cl)cc2)ncc1Cl 27664160 CNFQFDUYZXQBMD-UHFFFAOYSA-N 440.355 6.481 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)c(C)c1 27753297 LDUNCBWFMSXKPT-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)cc1 30943272 UPIHGQSWZLBJJH-UHFFFAOYSA-N 429.907 5.377 0 40 IKAB COc1ccc(-c2cc3nc(CN4CCC[C@@H]4c4cccc(OC)c4)[nH]c(=O)c3s2)cc1 36033861 DOMRZHVSMLLLLX-OAQYLSRUSA-N 447.560 5.006 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1csc(-c2ccccc2)n1 40049213 ZQFFQVKSUMZPND-UHFFFAOYSA-N 435.574 5.637 0 40 IKAB CCSc1ccccc1NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl 44849148 PEXPKXVYBYUVHH-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB CCCOc1ccccc1CCCNC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 44851542 TXMZLFPPONXGKV-QFIPXVFZSA-N 429.004 5.090 0 40 IKAB COc1cc(C)ccc1NC(=O)c1nn(-c2ccc(Br)cc2)c2c1CCCC2 48312223 HKFIOULLUYTCQA-UHFFFAOYSA-N 440.341 5.083 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCCCCC3)cnc2n1 49004776 PZUFCRJRUHGCNI-UHFFFAOYSA-N 439.357 5.461 0 40 IKAB Cc1cc(C)c2nc(NC(=S)NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 57316077 FSWQPMCEQZULIM-PKNBQFBNSA-N 433.558 5.700 0 40 IKAB O=C(CC12CC3CC(CC(C3)C1)C2)NCc1ccc(-c2ccc(Br)cc2)o1 57317074 WFVXJJUYHFSUPC-UHFFFAOYSA-N 428.370 5.932 0 40 IKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(OCc2ccccc2)cc1 57333522 QEEBNNPLNDSZQS-UHFFFAOYSA-N 435.483 5.399 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccsc2c1=O 57426295 IWNJJHOTRAUZKQ-UHFFFAOYSA-N 442.393 5.152 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)C1 67240746 JDSLGNHGUMMOML-HUUCEWRRSA-N 425.458 5.446 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C(=O)OCc2ccccc2)cn1 72214648 ZYIMWBRSZJIAJR-NRFANRHFSA-N 439.556 5.707 0 40 IKAB COc1ccccc1Cc1cccc([C@@H]2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1 72349680 BLNAAZXXXBLWFK-OAQYLSRUSA-N 439.559 5.111 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccccc3C(=O)c3ccc(Br)cc3)cc2o1 78265877 GALUBUXZRSKGCG-UHFFFAOYSA-N 435.277 5.382 0 40 IKAB O=S(=O)(Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Br)c(F)c1 95067908 YRHOGALVSOUYFK-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102732992 IUTLYTNICBKNHE-ISJGIBHGSA-N 440.543 5.031 0 40 IKAB CC(C)(C)c1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 102752408 FEXTXOKTCVPOFJ-TZRRMPRUSA-N 444.506 5.174 0 40 IKAB Cc1ccc(N2C(=O)/C(=C\Nc3ccc(Cl)c(Cl)c3)c3ccccc3C2=O)cc1C 104721222 SLYAWEXFXNMLTL-MOSHPQCFSA-N 437.326 6.250 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3cccc4ccccc34)C2=O)ccc1OC(C)C 106720427 VINGXKIGNZQHSJ-UCQKPKSFSA-N 433.529 5.872 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccc(F)cc1 109036613 YASWBVMZQHYVOY-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(c3cc(C)cc(C)c3)S(C)(=O)=O)cc2)cc1 113963811 HIXFZIXALYJMIB-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 216337784 PRQMYOVBGLKWCJ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC(C)c1ccc(OCC(=O)N2CCC(Cc3ccccc3)CC2)c(Br)c1 218870938 DWAFGSXGQPFGSC-UHFFFAOYSA-N 430.386 5.433 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCSCc2ccccc2F)c(Br)c1 218874784 RULQLRXFNKDPIJ-UHFFFAOYSA-N 440.378 5.140 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220717276 MJGQFUAFMCSFOA-IBGZPJMESA-N 437.005 5.264 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222845676 XDMUUKMZFMTPLQ-VQTJNVASSA-N 429.998 5.860 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223495521 USDDUVPKIKDHLU-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1cccc(C)c1 224065932 PTRKPGBJKHLWTA-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB CC(C)c1ccc(OCC(=O)NCCOc2ccc(C(C)(C)C)cc2)c(Br)c1 224250605 GGCNTXFDSSNYAF-UHFFFAOYSA-N 448.401 5.444 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1 224262023 XXYHDQWVCOKUMM-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)c1 224289369 RNCBUXIEBSMYOQ-MOPGFXCFSA-N 444.423 5.700 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224324833 DSWZTJOYEZLFDG-ZEQRLZLVSA-N 425.561 5.007 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1cccc(C)c1 224383743 AEYMXCQTARSUNA-UHFFFAOYSA-N 440.337 5.988 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NCC(C)C)c1 224386638 JYNDGTTYXGCXKB-GOSISDBHSA-N 449.422 5.342 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224834574 BSXXRFSXZLNORN-IBGZPJMESA-N 443.031 5.514 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCSc1ccccc1 224980196 IOAJHOVJFJMEAU-NRFANRHFSA-N 438.637 5.078 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1cc(C)ccc1C 225374512 MPCWVPWXXGKUTG-SANMLTNESA-N 434.624 5.145 0 40 IKAB C[C@@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCCC3)cc2)C1 225516013 AQRPQQBRGHZPTA-NHCUHLMSSA-N 438.587 5.633 0 40 IKAB Cc1cccc(-n2c(SCc3ccccc3F)nc3c(-c4ccccc4)c[nH]c3c2=O)c1 225541875 CFPDTMLEPAKKDI-UHFFFAOYSA-N 441.531 6.121 0 40 IKAB CCOc1ccc(CCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225622475 JWPUYZLUMLHISG-UHFFFAOYSA-N 427.795 5.420 0 40 IKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Br)c(C)c2)cc1OCC 225750073 QSNNVQABCYDTHC-AWEZNQCLSA-N 437.403 5.603 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC(C)C 225762624 BZVXDJULRNVUSX-UHFFFAOYSA-N 441.543 5.878 0 40 IKAB Cc1cc(N2CCCCC2)nc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)n1 225975038 BTNSXFJACMWWSA-UHFFFAOYSA-N 444.048 5.227 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCCN2C(=O)c2cc3c(nc2O)CCC3)n1 257237628 HHJFGGKXBHFWIE-XMMPIXPASA-N 431.511 5.153 0 40 IKAB Cc1c(Cl)cccc1NCC(=O)N1CCC(c2cccc(Nc3ccccn3)n2)CC1 257246486 IUHMZOYHCJSBRG-UHFFFAOYSA-N 435.959 5.000 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3cccnc23)CC1)C1(c2ccccc2)CCOCC1 257332637 XYCIBXJFMPICCR-QFIPXVFZSA-N 428.576 5.154 0 40 IKAB CCc1s/c(=N\C(=O)c2ccc(Cl)cc2)n(CC)c1-c1ccc(Br)cc1 408559999 BMUZCQDHISXLSQ-ATJXCDBQSA-N 449.801 5.956 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2ccc(F)cc2)n(-c2cccc(C)c2C)n1 408698566 OCUMFCNTKUTZPY-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cc2c(cc1/C=C1\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C1=O)OCO2 408800368 OOFLGWQYBVUHQA-KTKVCYSRSA-N 435.569 5.778 0 40 IKAB Cc1ccc(OC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)cc1 408976571 GGWNBQNZCDEUNS-UHFFFAOYSA-N 428.538 6.614 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 409025988 CUESPSGRYHXXST-ACCUITESSA-N 425.315 5.575 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2-c2ccc(C)c(C)c2)c1 409100603 QODIIYGKEQSIOG-UHFFFAOYSA-N 442.588 5.514 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OS(=O)(=O)c1ccc(C)cc1 409117970 PQAZACAUKXMVOT-UHFFFAOYSA-N 425.550 5.336 0 40 IKAB O=C(Nc1cc(Cl)ccc1Oc1ccccc1)c1ccc(I)cc1 409410407 WODQJENYUIRRBS-UHFFFAOYSA-N 449.675 5.989 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 506603950 QIHFHBVFJAZQGS-INIZCTEOSA-N 439.770 5.158 0 40 IKAB COc1ccc(CN2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cc1 585262928 PWVWLPJMWNDAIB-IBGZPJMESA-N 432.955 5.438 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cncc(-c3cccc(Cl)c3)n2)C1 1848355107 CCZKAELIFSAEAP-GOSISDBHSA-N 430.939 5.227 0 40 IKAB O=C(c1ccccc1)[C@@H](Cn1cncn1)[C@@H](Sc1ccc(Cl)cc1)c1ccccc1 630047 PLEIRHUGPRYAFK-VWNXMTODSA-N 433.964 5.964 0 40 IKAB COc1ccc(C(=O)CSc2nnc(CNc3ccc(F)cc3)n2-c2ccccc2)cc1 786834 MNRHQRGIFHUPCD-UHFFFAOYSA-N 448.523 5.002 0 40 IKAB COc1ccc(OC)c(-c2csc(N(CCc3ccccc3)C(=O)c3cccnc3)n2)c1 881064 PIBFPSHLQBLVJV-UHFFFAOYSA-N 445.544 5.112 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(O)cc2)n1C)C(=O)N(c1ccccc1)c1ccccc1 899376 QURSVOFZYVSHOS-QGZVFWFLSA-N 430.533 5.033 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccnc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931856 WQAPASPSPOOPDZ-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nc(Cc2cccs2)nc2ccccc12 1342813 AUDNPDPAQAKAKI-UHFFFAOYSA-N 433.602 5.884 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccc(C)cc1)Cc1cc2cc(C)ccc2[nH]c1=O 1353154 HJCFKMDXQFBARN-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB Cc1nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)nn1-c1cc(Cl)cc(Cl)c1 1385734 RURNYQCOMYAROR-UHFFFAOYSA-N 431.201 5.033 0 40 IKAB CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4cccc(Cl)c4)ccc3c2=O)cc1 1772196 SQWFMNSQUJJQKO-UHFFFAOYSA-N 448.902 6.755 0 40 IKAB CCCCCOc1ccc(/C=c2\sc3nc(-c4ccc(C(C)(C)C)cc4)nn3c2=O)cc1 1835334 FUIAQFQHNYOZQY-XLNRJJMWSA-N 447.604 5.232 0 40 IKAB CC1(C)[C@@]2(C)CC[C@]1(C(=O)Nc1ccccc1C(F)(F)F)c1nc3ccccc3nc12 2172513 KOVQRPKIMYZUMM-XZOQPEGZSA-N 425.454 5.616 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C(C)(C)C)C3 2270799 FAGCPZPKAGIRTC-INIZCTEOSA-N 426.651 6.490 0 40 IKAB CCCCCSc1nc2c(c(=O)n1-c1ccc(C)cc1)C1(CCCC1)Cc1ccccc1-2 2364441 CGJVNYGHSPJSGP-UHFFFAOYSA-N 444.644 6.858 0 40 IKAB CCCCCOC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc12 2685447 XKVRNTVMDSRAFF-UHFFFAOYSA-N 433.501 5.337 0 40 IKAB COc1cccc2cc(S(=O)(=O)c3ccccc3)/c(=N/c3ccc(C)c(Cl)c3)oc12 2686675 RMOSCTSIOBXEKQ-BZZOAKBMSA-N 439.920 5.468 0 40 IKAB Cc1cc(C)c2oc(-c3cccc(NC(=O)COc4ccc(Cl)cc4Cl)c3)nc2c1 2741659 JNUBQXARXGLPKS-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1cc(NC(=O)[C@@H](NC(=O)c2ccc(C(C)(C)C)cc2)C(C)C)ccc1Br 3284152 MFXVVHWCWBBGRM-FQEVSTJZSA-N 445.401 5.448 0 40 IKAB O=C(CN(Cc1ccco1)C(=O)/C=C/c1cccs1)Nc1ccccc1C(F)(F)F 3440032 PRMSDNIRIGOBGY-MDZDMXLPSA-N 434.439 5.041 0 40 IKAB C[C@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@@H](C)C2(C)C)C1(C)C 3846140 NKAAAQIOGVGJLI-LZBZAAENSA-N 442.640 6.925 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccccc1 4882397 MKAFJNDFSIJRBA-QILAJZQNSA-N 425.576 6.061 0 40 IKAB Clc1ccc(C2=NN(c3cccc(Br)c3)[C@H](c3ccccc3Cl)C2)cc1 8427275 XWDZOFMJCDRAFD-NRFANRHFSA-N 446.175 7.112 0 40 IKAB CCOC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)Nc1cccc(CC)c1 8605381 BKLBOFBZRGVAHI-UHFFFAOYSA-N 429.563 5.263 0 40 IKAB Cc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@](O)(C(F)(F)F)C2)cc1 8711480 XWCJYGHEAKKFSV-LJQANCHMSA-N 437.874 5.637 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccccc4Oc4ccccc4)cc3)sc2c1 8721921 VOLHTXNLXZATIG-UHFFFAOYSA-N 436.536 7.316 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccccc1Br 8832107 VIUSABBVUUGZHE-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB Cc1cccc(-c2nnc(S[C@@H](C)C(=O)Nc3ccccc3-c3ccccc3)n2C)c1 8985485 JFIDJRDLHIYBNY-SFHVURJKSA-N 428.561 5.577 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(Cl)cc2)cc1 9042901 IXLFEJRZOYVRRZ-AOYPEHQESA-N 432.951 6.761 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2cccc(C)c2)n1C(C)C 9262822 BQGLWWSFKVRKTI-UHFFFAOYSA-N 430.961 5.227 0 40 IKAB Cc1ccc(-n2c(SCc3cc(C)ccc3C)nnc2-c2ccc(C(C)(C)C)cc2)cc1 9309029 DHLQOKYPDRCLOI-UHFFFAOYSA-N 441.644 7.449 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)c1ccc(Br)s1 9336342 ZKMDHAHHDJIIKF-UHFFFAOYSA-N 440.413 5.064 0 40 IKAB O=C1C2=C(CCCC2)[C@H](Nc2ccc(OCc3ccccc3)cc2)N1Cc1ccc(F)cc1 9520016 QZKGCLOEOZFLFE-HHHXNRCGSA-N 442.534 6.056 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(OC)c1 10245759 IOEINIFCIXTJKS-UHFFFAOYSA-N 430.460 5.345 0 40 IKAB O=C(/C=C/c1cccs1)N(CCCn1ccnc1)c1nc2ccc(Cl)cc2s1 10381553 GLGUNFGMLLHVCO-FNORWQNLSA-N 428.970 5.344 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1cccc(Br)c1 11617075 WTHPPNMCTOWGQL-UHFFFAOYSA-N 425.307 5.684 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193105 HEHATUBMJXRNOU-GMAHTHKFSA-N 435.321 5.700 0 40 IKAB CCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3c2ccc2ccccc32)cc1 12486471 KLNBGCBKDAERJF-UHFFFAOYSA-N 447.582 6.970 0 40 IKAB O=C(N[C@H](Cc1ccccc1)c1nc2ccccc2n1Cc1ccc(F)cc1)c1ccccc1 12566678 MHUKQKSXTVGRKF-AREMUKBSSA-N 449.529 5.938 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 13301234 SEHDOBWHDBZZQU-BYFMOXHQSA-N 429.470 5.797 0 40 IKAB CCCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N\c1ccccc1 13644006 YUAUSJVDGWPYIP-RQZHXJHFSA-N 445.588 6.793 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@@H]1c1cccs1 13715122 MGOLEUARBKVJGG-NHCUHLMSSA-N 448.548 5.761 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cc(C)cc2Cl)nnc1-c1ccccc1Cl 13805581 HPQRRSFUICGIOR-UHFFFAOYSA-N 435.380 5.619 0 40 IKAB CCCCCC1CCC(c2ccc(-c3noc(-c4ccc(OCCCC)cc4)n3)cc2)CC1 13899155 UCXQBEHSJWXUQT-UHFFFAOYSA-N 446.635 8.437 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(Cl)cc3OC)c3ccccc3n2)cc1 13957215 ZBBBEJKWNNXQFZ-UHFFFAOYSA-N 448.906 5.833 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@H](C)C(=O)c3ccc(F)cc3)cccc2c1=O 15057363 UBSAKRDGQMZLPU-MRXNPFEDSA-N 430.431 5.336 0 40 IKAB CC(=O)c1cccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 15186451 CTCDWJSMUXNDJN-UHFFFAOYSA-N 442.446 5.039 0 40 IKAB COc1ccc(Cc2c(C)nc(SC(c3ccccc3)c3ccccc3)nc2C)cc1 15584324 XJERVEWDMZMGAX-UHFFFAOYSA-N 426.585 6.575 0 40 IKAB COc1cc(C(=O)N(C)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)cc(OC)c1OC 15670874 ACIYVRFRQXUMPL-RUZDIDTESA-N 444.531 5.364 0 40 IKAB COc1cc(CNCc2ccncc2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16195660 UVNKJYMVPCEQQN-UHFFFAOYSA-N 437.754 5.919 0 40 IKAB CCN1CCN(c2c(Cl)cccc2NC(=O)c2ccc(-c3cccc(F)c3)o2)CC1 16681510 STNBXTLGHTVAKI-UHFFFAOYSA-N 427.907 5.133 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCOC(C)C)c1 16750321 QEOMNVHIQGILEL-XMMPIXPASA-N 449.547 5.332 0 40 IKAB Cc1cc(C)cc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3C)no2)c1 16846481 ZMYIQGVQODIZHT-UHFFFAOYSA-N 439.562 5.215 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(C(C)C)cc3)o2)cc1Cl 17102903 USDUMFOFBMELSF-ACCUITESSA-N 438.980 6.558 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@H]2CCCCN2C(=O)Cc2cc(C)ccc2OC)n1 19525525 LZMDWRILTAIEAD-HSZRJFAPSA-N 444.579 5.104 0 40 IKAB COc1ccc(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)c(C)c1C 19577312 JAWIVDOGEWOOIF-RUZDIDTESA-N 449.620 5.152 0 40 IKAB Cc1nc([C@H]2CCCCN2C(=O)CC2CCCCC2)ncc1C(=O)Nc1ccccc1F 19764696 AAMQPUWSIVFYHT-JOCHJYFZSA-N 438.547 5.200 0 40 IKAB c1ccc(Sc2nc(Nc3ccc4ccccc4c3)sc2Sc2ccccc2)cc1 19958656 ZDVGJRFYRRNENM-UHFFFAOYSA-N 442.634 8.342 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(C)Cc3ccc(Cl)cc3)c2C)cc1 20048971 KZBWBNFFXVPVNL-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 20108423 WOYVZVWBDHWMBX-HXUWFJFHSA-N 426.409 6.139 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)ccc2C)c1)c1ccccc1 20490758 GCMABXYHEABXLK-JOCHJYFZSA-N 436.577 5.294 0 40 IKAB CCOc1ccc(-c2nc(CSc3nc(C)c(Cc4ccccc4)c(O)n3)c(C)o2)cc1 23126195 BWRHXJMCRBNBFB-UHFFFAOYSA-N 447.560 5.736 0 40 IKAB O=C(NC1CCN(Cc2ccccc2)CC1)C1(c2ccc(Br)cc2)CCCC1 24590771 DBMBZOKFNFWAOA-UHFFFAOYSA-N 441.413 5.042 0 40 IKAB Cc1ccc(Sc2nc3ccccc3nc2N(C)S(=O)(=O)c2ccc(C)cc2)cc1 24993441 KJMCZZVTTHHKKK-UHFFFAOYSA-N 435.574 5.223 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206928 XREYFOITZGSADG-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB CC1=C[C@@H](CN(C)CCc2ccccn2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccccc2)o1 30882859 BHVPGHMSDWLQBD-GNKBHMEESA-N 444.623 5.703 0 40 IKAB biogenic,in-vitro Cc1nc(NC(=O)c2ccc(Cl)cc2Cl)sc1-c1nc(-c2cccs2)no1 31816985 ODMYRFHQBYTXDJ-UHFFFAOYSA-N 437.333 5.789 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272017 QMNOVTPLHLJQTD-UHFFFAOYSA-N 426.925 5.015 0 40 IKAB Cc1cccc(C)c1OC(=O)CSc1nc2ccccc2n1Cc1ccccc1Cl 41076890 HLAMNEBFNQSIRP-UHFFFAOYSA-N 436.964 6.053 0 40 IKAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(=O)Nc1cccc(Cl)c1 44086686 REOXMADWUBVAKZ-UHFFFAOYSA-N 433.964 6.232 0 40 IKAB CCC(CC)(NC(=O)C1CCN(C(=O)c2ccc(F)cc2F)CC1)c1ccc(Cl)cc1 58244298 XXEBYZLXHHMWQH-UHFFFAOYSA-N 448.941 5.302 0 40 IKAB Cc1ncsc1C(=O)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349870 ATNDMRRNFHBGEF-UHFFFAOYSA-N 445.510 5.476 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 72358937 PLPXGZJEPUSOSM-GOSISDBHSA-N 443.444 5.250 0 40 IKAB O=C(c1ccc(Nc2nc(-c3ccc(Cl)cc3)c3ccccc3n2)cc1)N1CCOCC1 97165835 BQNHISHWGZDULP-UHFFFAOYSA-N 444.922 5.166 0 40 IKAB Cc1ccc(-c2cc(C(F)F)n3ncc(C(=O)N4C[C@]5(C)C[C@@H]4CC(C)(C)C5)c3n2)cc1 100806721 LLUNOZNNTSZDMB-SSOJOUAXSA-N 438.522 5.683 0 40 IKAB COc1ccc(OC)c(NC(=O)NCC23C[C@H]4C[C@H](C2)CC(c2ccc(C)cc2)(C4)C3)c1 100888921 XNURUAAZYNOJRH-KDGKYOGISA-N 434.580 5.672 0 40 IKAB Clc1ccc(-c2cs/c(=N/C3CCCCC3)n2CCc2c[nH]c3ccccc23)cc1 101379348 SUNCBHDPZNIPLH-AZPGRJICSA-N 436.024 6.827 0 40 IKAB O=C(COc1ccccc1N1C(=O)[C@H]2CCCC[C@@H]2C1=O)c1ccc(-c2ccccc2)cc1 102531826 WJRUKMBVQKDLLX-GOTSBHOMSA-N 439.511 5.295 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3F)CC(O)=C2[C@H]1c1ccccc1 104171813 TWLBOFDAPGQBON-UZTOHYMASA-N 426.491 6.396 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 107043113 ZKQZOHSMIVVTMP-UHFFFAOYSA-N 432.347 6.592 0 40 IKAB Cc1ccc(NC(=O)c2ccc(CN(c3cc(C)ccc3C)S(C)(=O)=O)cc2)c(C)c1 113965257 KYXNUNVMLKXJOA-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1cc(C)nc(Nc2ccc(C(=O)Nc3cc(Cl)ccc3Oc3ccccc3)cc2)n1 170569472 CDAOPEFREHCGJJ-UHFFFAOYSA-N 444.922 6.535 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219773123 BXKTVOLXXJFEBV-XMMPIXPASA-N 437.967 6.445 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223375934 HBRGYGJTMJWREL-RPBOFIJWSA-N 440.572 5.054 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2c1CCCC2)c1ccccc1 223568466 UOXNZXHOIVUGBW-VQTJNVASSA-N 442.559 5.462 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c(C)c1 223977881 IGNBNWWLMDVUBN-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1cc(C(=O)NCc2ccccc2Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224006525 KIFQFWQPHSLKFS-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1cc(C)cc(C)c1 224192850 VBVZQLWAJNGSBT-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB CN(Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224412123 WSHKRDSUJJMAHO-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224941428 XPECWSRHMUKMMW-UHFFFAOYSA-N 447.332 6.586 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2cccc(Br)c2)o1)N1CCCCCC1 224954472 SBHFDUKXDUHFIS-UHFFFAOYSA-N 425.326 5.787 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225135511 NWMOKCRDLIZQPU-OALUTQOASA-N 447.044 5.214 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 225333011 WHUCQEVYJULSOT-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3cccc(C)c3)CCOCC2)cc1C(=O)OCC 225772169 NXJBUBAURGQZKG-UHFFFAOYSA-N 439.552 5.038 0 40 IKAB CCOC(=O)c1cc(NC(=S)NC2(c3ccc(OCC)cc3)CCCC2)ccc1Cl 225866189 DSNHOHXIVCZBOL-UHFFFAOYSA-N 447.000 5.671 0 40 IKAB O=C(c1cccc(-c2ccc(F)cc2)c1)N1CCC[C@]2(CC1)CN(c1ccccc1)C(=O)O2 257304205 SKMKNIKEPBEHIZ-MHZLTWQESA-N 444.506 5.514 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)c2ccccc2)CC1 257305889 SRZJAHGSSNTJTD-UHFFFAOYSA-N 440.587 5.263 0 40 IKAB COc1cccc(C(=S)NCc2ccc(C)cc2)c1OCc1c(F)cccc1Cl 408578187 WOUCWENKSUPVDB-UHFFFAOYSA-N 429.944 5.840 0 40 IKAB Cc1cc(Br)ccc1NCc1cc(Cl)ccc1OCc1ccc(F)cc1 408603594 BVSAHEIASFGEPL-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3cccc4ccccc34)sc2n1 408617685 DGTBZLSLEMSRRF-UHFFFAOYSA-N 434.590 5.809 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Br)cc3C)nc2-c2ccccc2)cc1 408696471 BRFWKFROCBWYIZ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Oc1nc(-c2cc3c(cc2Br)OCO3)nc2sc3c(c12)CCCCCC3 408990537 NVFTYCMMSZLAJQ-UHFFFAOYSA-N 433.327 5.214 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OCc4ccccc4)c(OC)c3)C(=O)O2)cc1 409008966 PJPRYJSATGLLQU-JCMHNJIXSA-N 429.472 5.017 0 40 IKAB O=C(OCc1ccc(Cl)cc1)c1ccc(COc2ccc(Br)cc2)cc1 409176709 VUIZXDVSVXYTCC-UHFFFAOYSA-N 431.713 6.039 0 40 IKAB Cc1ccc(CN2C(=O)N/C(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)C2=O)cc1 409237465 WWWAZCBHWJPEGB-ZVHZXABRSA-N 439.490 5.230 0 40 IKAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3Cc3ccc(C)nc3Cl)cs2)cc1 585295105 LWWZVPCKLWMWGQ-HXUWFJFHSA-N 441.000 5.652 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 828082 ZRLNYRPPITWOSQ-UHFFFAOYSA-N 427.291 5.378 0 40 IKAB CCc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1 928190 IKARFZVMDKDFLV-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB O=C(Nc1ccc(Br)cc1)c1cccc(OC(=S)Nc2ccccc2)c1 1421517 IDVURJJCJGSICG-UHFFFAOYSA-N 427.323 5.477 0 40 IKAB Cc1cc(NCCCCCCNc2cc(C)[n+](C)c3ccccc23)c2ccccc2[n+]1C 1699932 MCTOQNFHXPLICO-UHFFFAOYSA-P 428.624 5.343 0 40 IKAB Cc1sc2ncnc(SCc3ccc(Br)cc3)c2c1-c1ccccc1 1787579 QPFICPWKHNDZBY-UHFFFAOYSA-N 427.392 6.722 0 40 IKAB Cc1cccc(C)c1OCCCCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 1837675 WLKKAINIYNCFNL-UHFFFAOYSA-N 446.978 6.583 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c(C)c1 1861477 RFZLUXJSDGPNDE-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Br)c(C)c2)cc1 2236908 NQPUYCGOYQPYPH-UHFFFAOYSA-N 445.320 5.715 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(SCc2ccc(Cl)cc2)s1 2336822 PJAZAQKCIMSINS-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB O=C(Oc1c(C(=O)c2ccccc2)sc2ccccc12)c1cccc(Br)c1 2372882 WQYIJOKQRUYVMB-UHFFFAOYSA-N 437.314 6.114 0 40 IKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Cl)cc2)c1 2397240 SSJJNGSROZCKQR-UHFFFAOYSA-N 438.940 5.390 0 40 IKAB Cc1nn(-c2ccccc2)c(-c2ccccc2)c1-c1ccccc1OC(=O)c1ccccc1 3189583 KJUNLLUEDVBDIM-UHFFFAOYSA-N 430.507 6.734 0 40 IKAB Cc1cc(C(=O)CSc2ncnc3sc4c(c23)CCC4)c(C)n1Cc1cccs1 3318732 IPWVGXSRZIWOCF-UHFFFAOYSA-N 439.631 5.683 0 40 IKAB CN(CC(=O)Nc1ccccc1Sc1ccc(Cl)cc1)Cc1c(F)cccc1Cl 3391154 UTVBYMBGRQZBDJ-UHFFFAOYSA-N 449.378 6.354 0 40 IKAB CCc1ccc(NC(=O)CCCCCCCCCCC(=O)Nc2ccc(CC)cc2)cc1 4402413 YVIZZBMCPRKMSM-UHFFFAOYSA-N 436.640 7.290 0 40 IKAB biogenic Oc1ccc(/C=C\c2ccc(-c3cc(-c4ccccc4)cc(-c4ccccc4)[o+]3)cc2)cc1 4551916 GRCMPWDXDVUTIZ-QXMHVHEDSA-O 427.523 8.438 0 40 IKAB Clc1cc(OCC23CC4CC(CC(C4)C2)C3)nc(OCC23CC4CC(CC(C4)C2)C3)n1 5822425 SQKLNOOYAICDEK-UHFFFAOYSA-N 443.031 6.320 0 40 IKAB Cc1ccc(C(C)C)c(OCCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 8752608 LLBVSFMHXVGRSH-UHFFFAOYSA-N 445.563 5.503 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 8755215 FZLCAROIKGUZJC-FQEVSTJZSA-N 429.951 5.821 0 40 IKAB CN(c1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(Cl)c1)C1CCCCC1 8781038 ISUMEBKYCZMXLD-UHFFFAOYSA-N 425.882 6.772 0 40 IKAB CCn1c(SCc2csc(CC(=O)Nc3ccc(C)cc3)n2)nnc1-c1ccccc1 8883403 ZSJOJAJNARCKDT-UHFFFAOYSA-N 449.605 5.203 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8903016 NWHLATQWVRKNKQ-SFHVURJKSA-N 428.532 7.048 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(C)(c1ccccc1)c1ccccc1 8919340 ATKOXSKUUCLAKR-UHFFFAOYSA-N 448.591 7.216 0 40 IKAB Cc1cc(C)cc(OCCOc2ccc(C)cc2/C=C2/N=C(c3ccccc3)OC2=O)c1 8958867 LAQBTMSOVLFJPZ-JJIBRWJFSA-N 427.500 5.414 0 40 IKAB COc1cccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c1OC 9171897 QFGOUAAQXADPFZ-HXUWFJFHSA-N 425.488 5.031 0 40 IKAB CCCCn1nc(NC(=O)c2ccccc2Br)c2cc3cc(C)ccc3nc21 9307521 WNASNYDFPPVNBF-UHFFFAOYSA-N 437.341 5.708 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2[C@H](C)c2ccccc2)cc1 9355429 BIOUJXNEKJAQPZ-DFXYEROKSA-N 442.562 7.450 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nnc1-c1ccc(OC)cc1 9483132 CMAXUWQDDDTUNF-UHFFFAOYSA-N 448.951 5.277 0 40 IKAB CCOC(=O)C1CCN(c2ncnc3c2c(-c2ccccc2)cn3-c2ccc(C)cc2)CC1 9531207 KDFDVLLDPVRLHG-UHFFFAOYSA-N 440.547 5.175 0 40 IKAB C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C)c1ccc(-c2ccccc2)cc1 9794670 PVEJBUOVTXRWRX-KRWDZBQOSA-N 448.617 5.104 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)[C@H]1CCCN1C(=O)Oc1ccccc1 10129662 WLHRNPWPGSUMEB-PPXQLYMYSA-N 444.575 5.756 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1NS(=O)(=O)c1ccccc1 10315152 QKSXHTUVXOPJNY-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCc1ccc([C@@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 10447728 BHLUMUJXTMBUGU-JOCHJYFZSA-N 438.618 5.130 0 40 IKAB O=C(c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)N1CCCc2ccccc21 10449470 RUJLZXDDIGWJSD-AREMUKBSSA-N 428.557 5.054 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4cccc(OC)c4)=NN23)cc1 12195620 ZGCRFNMTSNYNAW-NOZRDPDXSA-N 434.923 5.990 0 40 IKAB COc1ccc(OC)c([C@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 12344314 NRMYXZZQPFRZKH-NRFANRHFSA-N 446.334 5.449 0 40 IKAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCC(O)(c2ccc(Cl)cc2)CC1 12390378 YINKOKWVIDSYJP-UHFFFAOYSA-N 447.387 5.549 0 40 IKAB CC(=O)Nc1cc(C)nn1-c1nc2ccccc2n1Cc1cccc(Oc2ccccc2)c1 12540799 QJJDZVWWQIZZKR-UHFFFAOYSA-N 437.503 5.329 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3cnc4ccccc4c3C(F)(F)F)cc2)cs1 12777018 DIXFVUKYUCCNLW-UHFFFAOYSA-N 441.478 5.658 0 40 IKAB O=C(OCc1ccc(-c2cccc(Cl)c2Cl)o1)C(c1ccccc1)c1ccccc1 12843242 YBQICCVGNKWXIG-UHFFFAOYSA-N 437.322 7.129 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)c3)nc2c1 12855270 RBRHQLXMOXZTOR-UHFFFAOYSA-N 434.923 6.507 0 40 IKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 12900680 HCDWSQOHBPBSML-MRXNPFEDSA-N 437.565 5.408 0 40 IKAB CCOc1cc(/C=C/C(=O)Nc2ccccc2C(C)C)ccc1OCCOc1ccccc1 13042074 SBHVZCLEZVNKNT-BMRADRMJSA-N 445.559 6.318 0 40 IKAB O=C(OCCSc1nn(-c2ccc(Cl)c(Cl)c2)c(=S)s1)c1ccccc1 13095542 UXIMUYUVJCDHFK-UHFFFAOYSA-N 443.402 5.919 0 40 IKAB Cc1cc(OCC(=O)N[C@@H](c2ccc3c(c2)OCCCO3)C(C)C)c(C(C)C)cc1Cl 13098258 YTZMKQPMXNDSJC-RUZDIDTESA-N 445.987 5.825 0 40 IKAB Cc1cc(-c2nnc(CSc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)c(C)o1 13117233 NTAVMUAUIYEDSP-SNVBAGLBSA-N 428.539 5.475 0 40 IKAB CCCCc1nc2c(C)c(NC(=O)Nc3cccc(Cl)c3)cnc2n1Cc1ccccc1 13500032 SSEHKRXRSGOZRE-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB CSc1nc(NCCCN(C)C)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 13512573 DOEGEWYHPWGLOJ-UHFFFAOYSA-N 449.649 5.481 0 40 IKAB COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)cc1OC 13518313 QQAWGRLZPBJCSW-HXUWFJFHSA-N 425.488 5.031 0 40 IKAB Cc1cccc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCCC2)c1 13568283 LUQUKYCCEIQBQY-UHFFFAOYSA-N 428.540 5.261 0 40 IKAB O=C(c1ccc(-c2ccccc2)cc1)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 13582455 OHFZIHNKUSKIPS-DEOSSOPVSA-N 426.903 6.592 0 40 IKAB CC(C)c1ccc(-c2nonc2NC(=O)c2cc(=O)c3cc(Cl)cc(Cl)c3o2)cc1 13689542 JXZCSSCLMLRWHI-UHFFFAOYSA-N 444.274 5.526 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2ccc(Br)o2)c2ccccc21 14360708 RDMOLOAIIDMQIT-UHFFFAOYSA-N 438.277 5.241 0 40 IKAB COc1ccc(-c2nc(CNC(=O)[C@H](C)Oc3cc(C)c(Cl)c(C)c3)cs2)cc1 15832712 IGDRGLKCAXWWRE-HNNXBMFYSA-N 430.957 5.173 0 40 IKAB Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccc(F)cc3)cc2s1 15832830 WKHOITCRHDWSJE-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3c(Cl)cccc3Cl)c(OC)c2)cc1 16216628 MVWBRGKFPRUHEE-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1ccc(Cl)c(Cl)c1 16384467 QJPHVTDXEKGSPM-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl 16384834 DQPCBLMMCVQYHJ-PJQLUOCWSA-N 448.158 6.406 0 40 IKAB O=c1c(Cl)c(Nc2ccc(Br)cc2)cnn1C12CC3CC(CC(C3)C1)C2 16428713 UQUXISIXOZXNDR-UHFFFAOYSA-N 434.765 5.328 0 40 IKAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16688569 LDODLDUNHHLLKG-UHFFFAOYSA-N 445.818 5.666 0 40 IKAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCCC[C@@H]1c1nc2ccccc2s1 16695025 VXRQHFOKAMPBHW-QGZVFWFLSA-N 444.482 5.419 0 40 IKAB Cc1ccc(-c2cc3c(=O)n(Cc4nc(-c5cccc(Cl)c5)oc4C)ccn3n2)cc1 17051460 WHMUONBRMAETJN-UHFFFAOYSA-N 430.895 5.137 0 40 IKAB CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 17057690 VNWWMZKAASJVJP-MLECPPIISA-N 425.569 5.264 0 40 IKAB CC(C)(C)C(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 17101805 NWCWOKRKPLANKN-UHFFFAOYSA-N 437.952 6.161 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1C 19909280 XNMCDGUXEVOQSO-UHFFFAOYSA-N 448.632 5.016 0 40 IKAB OC(CNCc1cccc(C(F)(F)F)c1)(c1ccc(Cl)cc1)c1ccc(Cl)cc1 20365333 ZKAIRLPTRCSKPQ-UHFFFAOYSA-N 440.292 6.038 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)CSCc1ccc(Cl)c(Cl)c1)c1ccccc1 20460790 WNARWGXYZGOPBZ-QHCPKHFHSA-N 430.400 6.441 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccc(CC)cc4)nc3c2)c1 20610116 QBTFJUOTLCBBOB-UHFFFAOYSA-N 430.508 5.033 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(=O)c2cc(Cl)ccc21 22234895 GYCNMQBFOPDYKA-UHFFFAOYSA-N 429.225 5.599 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(CSc2ccccc2)cc1C 22528041 LGROSKJOHNDUMR-MHZLTWQESA-N 441.596 7.237 0 40 IKAB COc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3ccoc3C)o2)cs1 26129254 GTLVGIOAEZUDNJ-UHFFFAOYSA-N 442.522 5.080 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2cc(=O)c3cc(Cl)c(C)cc3o2)N2CCCCC2)cc1 28288935 PXCZHDQEISXTRL-NRFANRHFSA-N 438.955 5.020 0 40 IKAB CC(C)OCCCn1c(SCc2cc(F)cc3cccnc23)nc2ccccc2c1=O 31610757 JARSCLAEYVERTN-UHFFFAOYSA-N 437.540 5.191 0 40 IKAB Cc1ccc(-c2csc(NC(=O)Cn3ccc4cc(Br)ccc43)n2)cc1 32124579 PLHGPEIFKZQQAI-UHFFFAOYSA-N 426.339 5.474 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2nc(-c3ccc(Br)s3)ns2)cc1 32593818 JEPJKBJGKGFNEO-UHFFFAOYSA-N 438.372 5.170 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)cs1)c1cccs1 32878821 DGVWHGTUSAAPHJ-QGZVFWFLSA-N 427.595 5.375 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CSc2nc3ccccc3cc2Cc2ccccc2)c1 35311075 WJARKWPPTJEVCT-UHFFFAOYSA-N 441.556 5.515 0 40 IKAB c1ccc(S[C@@H]2CSc3nnc4c5ccccc5nc-4n3[C@H]2c2ccccc2)cc1 36625784 FLYYGIVWJQLZTJ-IRLDBZIGSA-N 426.570 5.787 0 40 IKAB C[C@H](OC(=O)c1ccc(-c2ccc(O)cc2)cc1)C(=O)Nc1nc(-c2ccccc2)cs1 40159365 LHQQCGVUOOREHB-INIZCTEOSA-N 444.512 5.367 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 44915729 KODHYWNCSJRGPG-NRFANRHFSA-N 432.951 5.422 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OCc1c(F)cccc1Cl 62715695 YJHYGXNUCXYGGX-WUXMJOGZSA-N 427.859 5.424 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)N(C)c4cccc(Cl)c4)nccn3n2)cc1C 67289996 FALBXJLWQJPLQN-UHFFFAOYSA-N 436.968 5.422 0 40 IKAB O=c1c2ccc(C(F)(F)F)cc2nc2n1CC/C2=C/c1csc(Br)c1 71858403 LMKZVEOJOUBUDY-YHYXMXQVSA-N 427.245 5.184 0 40 IKAB COc1ccc(CN2CCc3nc(-c4cccc(F)c4)sc3C2)cc1Cn1ccnc1C 72392027 HYERCRNPPVEJDA-UHFFFAOYSA-N 448.567 5.069 0 40 IKAB Cc1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)[C@H]3ON2c2ccccc2)c(C)c1 101253864 SEPGHCCRPAHPBO-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB COc1ccc([C@]23Oc4ccccc4[C@@H](c4ccccc4)[C@]2(C)C3(Cl)Cl)cc1OC 102206768 BSUGGWNAIDDENT-SGNDLWITSA-N 441.354 6.317 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@]32CCOC(C)(C)C2)cc1 102696221 GELAIDRTICEJSY-REWPJTCUSA-N 441.369 5.586 0 40 IKAB Fc1ccc(NCc2cc(Br)ccc2OCc2ccccc2F)cc1Cl 107042963 PBTUVGHKUNKLPR-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB CCO[C@@]1(C)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118930817 FJYXPDKTLJKYNH-KXTIPHQTSA-N 428.745 8.823 0 40 IKAB O[C@@](c1ccccc1)(c1ccc(Br)cc1)C(c1ccccc1)c1ccccc1 204894649 PPRQLSUUVLNCJT-SANMLTNESA-N 429.357 6.517 0 40 IKAB O=C(Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)OCc1ccccc1 206373805 IXRMNPHTXXRAMR-UHFFFAOYSA-N 431.495 6.713 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1Cc1ccc(F)cc1 214240830 KGPKURGHVFACHY-LPYMAVHISA-N 437.467 5.780 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)/C=C/c2ccc(OC)c(OC)c2OC)cc1C(C)C 223273431 KZICOEDBGKSAKD-DPCFLFMUSA-N 427.541 5.043 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223276145 IROAHZSGEOCRLN-FQEVSTJZSA-N 426.576 5.215 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1 223452313 NXNGJNKNWJCQTB-NRFANRHFSA-N 449.422 5.648 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 223770645 WZQBYYIUPUMQOK-QFIPXVFZSA-N 444.641 5.140 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCC2)cc1 223822524 IYQGYXMRIUTMLC-IBGZPJMESA-N 441.015 5.311 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)cc1 224018249 WHAGHRRVLGSYJN-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(OC)c(Cl)c3)ccc2OC)cc1 224267799 MVZIPBNKLUIELH-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1C(C)C 224566264 NPUTXVWHVFJOHR-UHFFFAOYSA-N 425.475 6.318 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225131630 GIWWWGRXDBPHTL-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1C 225557476 WIIQMYHBMPCNGV-URXFXBBRSA-N 440.653 5.259 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSCc1ccccc1 225660263 JPTSTDWZNMKKIJ-WMZHIEFXSA-N 444.616 5.171 0 40 IKAB S=C(Nc1ccc(OC2CCCC2)cc1)NC1(CCc2ccccc2Cl)CCCC1 225869357 HLBLYUCDEITQSK-UHFFFAOYSA-N 443.056 6.893 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCC(C)C)c(C(F)(F)F)c3)CCCCC2)cc1 225955736 JNRVJXGMQDTPJP-UHFFFAOYSA-N 433.514 6.889 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2cc(C(=O)O)cc(Cl)c2Cl)cc1 226354864 HFNMOXJEIAJMBA-UHFFFAOYSA-N 425.337 5.116 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)/C=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 227145970 OVMRFHYIYNLFER-QPJJXVBHSA-N 449.707 6.044 0 40 IKAB CCCC(=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 257220480 DLAADOCAFHALDI-CHFDUSJHSA-N 437.527 5.095 0 40 IKAB CCC(CC)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N(C)C)CC1 257238814 HMQOBDLIIJUZFI-UHFFFAOYSA-N 426.626 5.091 0 40 IKAB O=C(N1CCC[C@@H](Cc2ccc3ncccc3c2)C1)C1(Cc2ccccc2F)CCOCC1 257278612 OCXXGCSKYDJDCN-QFIPXVFZSA-N 446.566 5.195 0 40 IKAB COc1cccc2c1OC1(CCN(Cc3ccnc4ccccc34)CC1)[C@H]1CCCO[C@H]21 257295783 QZVTXJDQTUGTDB-WIOPSUGQSA-N 430.548 5.138 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)C2(c3ccccc3)CCCC2)C1 257312289 UNFMCYZDQURUCY-GOSISDBHSA-N 432.589 5.089 0 40 IKAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@@H](C)Cc4cccc(Cl)c4)CC3)n2)n1 257323640 WLFXOUSORQYEKS-KRWDZBQOSA-N 449.986 5.162 0 40 IKAB O=C(COc1ccc(CNc2ccc(F)cc2)cc1Br)Nc1ccccc1F 408558513 UREIDYZYOSYFLL-UHFFFAOYSA-N 447.279 5.357 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(C)c2C)C1 408646139 VPKMPRATFPQZNB-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 408648293 XAKLIZKZQBJSGG-UHFFFAOYSA-N 430.891 5.659 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@H]1CC(=O)N(Cc2ccccc2)C1 408650058 ZFOYFEPCAFJGOM-QHCPKHFHSA-N 436.511 5.619 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2ccc(Br)cc2)cc1 408677895 SCXYDSCGGGJIEJ-UHFFFAOYSA-N 449.304 5.199 0 40 IKAB CN(Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(=O)COc1ccc(C(C)(C)C)cc1 408714286 NAYXIUXKGFMSRS-UHFFFAOYSA-N 435.568 5.369 0 40 IKAB Cc1ccc(COc2ccc(/C=C3\SC(=O)N(C(C)C)C3=O)cc2Br)cc1 409060326 PVSNXRDZGRSLTJ-ODLFYWEKSA-N 446.366 5.781 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 409100162 VEEFRMPKJGYBIK-WOJBJXKFSA-N 434.609 5.048 0 40 IKAB c1ccc(Oc2ccc(NCc3ccccc3OCc3cccc4ccccc34)cc2)cc1 409114836 LMJLBHGHZRDLKT-UHFFFAOYSA-N 431.535 7.823 0 40 IKAB COc1cc(CNc2cccc(C)c2C)cc(Br)c1OCc1ccccc1 409118438 ZUEAFJGJIOLLNA-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB Cc1nc(S/C(=C\c2cc(Cl)ccc2OCc2ccccc2Cl)C(=O)O)n[nH]1 409191961 RDBQCTHSPVUZFV-MFOYZWKCSA-N 436.320 5.217 0 40 IKAB Clc1cccc(COc2ccc(CNc3ccc(Cl)c(Cl)c3)cc2Cl)c1 409198562 HWRQNSCRYAHNNV-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2cccc(OCc3ccccc3)c2)C1=O)c1ccccc1 409223564 GYNQPCSGBQLOKN-HZHRSRAPSA-N 429.497 5.185 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 409382880 WYEXZHOTWYGJOD-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB COc1ccc(OC)c(NC(=O)c2c(NC(=O)c3cccs3)sc3c2CCCC3)c1 644073 BDEKKHVUWVDTIH-UHFFFAOYSA-N 442.562 5.210 0 40 IKAB COc1ccc(-c2ccc3c(N)c(C(=O)Nc4cc(C)ccc4C)sc3n2)cc1OC 661361 NROMTIFGGRVOSD-UHFFFAOYSA-N 433.533 5.432 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccccc2)sc(C(=O)Nc2ccccc2)c1C 887048 XMWPSWKAXJKOQK-UHFFFAOYSA-N 439.562 5.294 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@@H]2CCCC[C@H]12 918714 OCBGRIQTTYHAGA-GHJUNDHASA-N 436.478 5.177 0 40 IKAB C[C@@H](Oc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)OCc1ccccc1 953531 KQRGXNMQGUGUHH-MRXNPFEDSA-N 443.421 5.468 0 40 IKAB Cn1c(-c2ccccc2)c(/N=c2\scc(-c3ccccc3)n2-c2ccccc2)c(=O)n1C 1793892 ZLRKMCRFYDZAPN-RQZHXJHFSA-N 438.556 5.142 0 40 IKAB CCOC(=O)CCc1c(C)c2ccc(OCc3cccc(C(F)(F)F)c3)c(C)c2oc1=O 2148012 KGIPHIXSOWJISH-UHFFFAOYSA-N 448.437 5.503 0 40 IKAB biogenic CSC1=NC2=NC3=C([C@H](c4ccccc4)Oc4ccccc43)[C@H](c3ccc(C)cc3)N2N1 2253432 ZCKRVNLUKYRHRJ-ZEQRLZLVSA-N 438.556 5.490 0 40 IKAB COC(=O)CSc1nc2sc3c(c2c(=O)n1C1CCCCC1)CC[C@H](C(C)(C)C)C3 2282397 FECTWPOMXTUNFG-AWEZNQCLSA-N 448.654 5.379 0 40 IKAB CCCCCSc1nnc2n(CC)c(=O)c3c(n12)-c1ccccc1CC31CCCCC1 2298443 LUFFIMAMIHSABL-UHFFFAOYSA-N 436.625 5.618 0 40 IKAB CCOC(=O)CCc1c(C)c2cc(Cl)c(OCc3ccccc3Cl)cc2oc1=O 2394246 VKWCTDAMYHNXJK-UHFFFAOYSA-N 435.303 5.483 0 40 IKAB CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@H]3C(F)(F)F)cc1 3012804 ALAWDGDPEKPIKC-PMACEKPBSA-N 444.457 5.503 0 40 IKAB Cc1cccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)c1C 3416209 ZTGYIDMKRKQFKT-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CCCCCCOc1ccc(C(=O)COC(=O)c2ccc(OCCCCCC)cc2)cc1 4256493 OQOLDDWOYDWCCF-UHFFFAOYSA-N 440.580 6.645 0 40 IKAB biogenic Cc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)NCCc2ccccc2Cl)cc1C 8414248 XIKKHUVDWPUDGO-JCMHNJIXSA-N 438.980 5.148 0 40 IKAB C[C@@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)c1ccccc1 8711933 BJGAFGXADZUOAB-KBRIMQKVSA-N 448.876 5.688 0 40 IKAB COc1cccc2cc(C(=O)N(C[C@H]3CCCO3)c3nc4c(C)ccc(C)c4s3)oc12 9133774 APXSNLRMOPPIQL-QGZVFWFLSA-N 436.533 5.494 0 40 IKAB C[C@@H](Sc1nnc(-c2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 9219012 DEEDDRKXVUBATM-LLVKDONJSA-N 429.958 5.898 0 40 IKAB COc1ccc(-c2nc(CN(Cc3cccs3)C[C@H]3CCCO3)cs2)cc1OC 9314372 ASTOKARAFWCDLG-GOSISDBHSA-N 430.595 5.070 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCc2n[nH]c(=S)n2-c2ccc(Cl)c(Cl)c2)cc1 9369260 DBGRILKXPQNPKR-UHFFFAOYSA-N 435.380 5.464 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 9397126 GQZDRMWOMQJXQC-XNMGPUDCSA-N 428.532 6.116 0 40 IKAB COc1ccc2[nH]c(C)c(-c3csc(NC(=O)c4cncc(Br)c4)n3)c2c1 9420143 TVFNMIBRZVKEDC-UHFFFAOYSA-N 443.326 5.018 0 40 IKAB CCCCN1C(=O)CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H]1c1ccc(OC)cc1 9515365 SRMPOIUQSVGZFO-XMSQKQJNSA-N 437.565 5.023 0 40 IKAB Cc1cc(C)cc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)c1 9607355 WAGZEBFNQLOINK-OAQYLSRUSA-N 432.911 5.918 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nc(-c2ccccc2)cn1N)c1ccccc1 9669496 QQBBXTLAYYJSKK-QHCPKHFHSA-N 444.560 5.053 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)CN3CCC[C@@H]3c3cccs3)cc2)cc1 9711830 YRAMJFLCBFGCRO-JOCHJYFZSA-N 449.576 5.175 0 40 IKAB C[C@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1cc2ccccc2o1 9796830 YSZANFBVJQPGPD-ZDUSSCGKSA-N 443.912 5.018 0 40 IKAB CSCc1nc2ccccc2n1CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 9889909 MADLUWURPODEFP-JOCHJYFZSA-N 425.554 5.006 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCC(=O)Nc2c(Cl)cccc2C(F)(F)F)c1 9958341 ZQDSYIVZTVNRTK-UHFFFAOYSA-N 438.254 5.530 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3)oc2cc1C 10120443 BLMUHLJKMFNCIY-UHFFFAOYSA-N 448.950 6.239 0 40 IKAB Cc1cccc(N2CCN(C(=O)CCc3ncc(-c4ccc(Cl)cc4Cl)o3)CC2)c1 10262491 RRSAEPWTKQGEOK-UHFFFAOYSA-N 444.362 5.238 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 10325392 IQDXMEQZZQHWPG-INIZCTEOSA-N 440.952 5.041 0 40 IKAB COc1cc2c(cc1NC(=O)C1(S(=O)(=O)c3ccccc3)CCCC1)oc1ccccc12 11426805 OIYZMTGNOKNNEB-UHFFFAOYSA-N 449.528 5.320 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1)c1ccc(Cc2ccccc2)cc1 11617466 BSZUZNUWDJAQLD-UHFFFAOYSA-N 439.367 6.960 0 40 IKAB CC(C)(C)c1cc(CCC(=O)OCC(=O)NC2CCCCCC2)cc(C(C)(C)C)c1O 12567274 ARGPWOQIYHGIBZ-UHFFFAOYSA-N 431.617 5.302 0 40 IKAB COC(=O)c1ccc(CSc2nnc(Nc3ccc(OC(F)(F)F)cc3)s2)cc1 12622378 JHAKASZZZWUBBH-UHFFFAOYSA-N 441.456 5.259 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)Cn2c(C)nc3scc(-c4cccs4)c3c2=O)cc1 12634804 AWQPBPUIXBJIHO-CQSZACIVSA-N 437.590 5.647 0 40 IKAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1ccc(Cl)c(Cl)c1 12792207 BAXNSWBRCMGPNG-NSHDSACASA-N 434.348 5.744 0 40 IKAB CCc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4ccccc4CC)c3N2)cc1 12848492 CSLZLCJYCQWQSN-SFTDATJTSA-N 442.485 5.921 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3onc(C)c23)cc1Cl 12941702 MONLWNAFVFBFBG-UHFFFAOYSA-N 426.885 5.124 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1F 13025672 HWKGMVBRWKTPNU-VWLOTQADSA-N 448.538 5.212 0 40 IKAB Cc1c(Cl)c(CSc2nnc(COc3ccccc3Cl)n2C)nc2ccccc12 13112848 SXUZABYWSGPYOH-UHFFFAOYSA-N 445.375 5.850 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)Nc1ccc(Cl)c(Cl)c1 13134019 UTFJORYEQNQRKK-UHFFFAOYSA-N 445.331 5.565 0 40 IKAB Cc1ccc2c(COC(=O)c3cc(-c4ccc(C)o4)nc4ccccc34)cc(=O)oc2c1 13142024 BZCHMDYVJCLYCJ-UHFFFAOYSA-N 425.440 5.575 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc(OC(C)C)c3)cc2Cl)CC1 14271865 DCJGINHKEIDUPB-UHFFFAOYSA-N 446.016 5.490 0 40 IKAB COc1ccc(-c2csc(NC(=O)COc3ccc(C)c(C)c3)n2)cc1Br 15322896 WNUPQUJDALVTSD-UHFFFAOYSA-N 447.354 5.216 0 40 IKAB Cc1c(C(=O)NCC2CCCCC2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 15982186 BNSWPGCVIUFEFH-UHFFFAOYSA-N 438.540 6.662 0 40 IKAB COc1ccc(CCNCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1 16216609 HUZSLCBHDSMFAV-UHFFFAOYSA-N 444.344 5.508 0 40 IKAB Clc1ccc(COc2ccc(Br)cc2CNCCc2ccccc2)cc1 16479317 CGDDOGMMDNFKHQ-UHFFFAOYSA-N 430.773 6.014 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(Cl)cc3)nc2c1)c1c(F)c(F)c(F)c(F)c1F 17102750 NRWOONGARGFJFD-UHFFFAOYSA-N 438.739 6.096 0 40 IKAB CC(=O)NC(=S)Nc1ccc2oc(-c3cccc4c(Br)cccc34)nc2c1 19631214 GEQKZBSYMGQXQD-UHFFFAOYSA-N 440.322 5.243 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2C)cc1 20152865 XMYQVTDQGLUNLY-UHFFFAOYSA-N 438.549 5.053 0 40 IKAB Cc1cc(C)c2c(=O)nc(SCc3nc(-c4ccccc4C)oc3C)n(C3CC3)c2n1 20419123 RPBDKKFIPHXEDQ-UHFFFAOYSA-N 432.549 5.307 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 20459000 JDHYSGJKPVDBLA-HHHXNRCGSA-N 444.600 5.084 0 40 IKAB O=C(Nc1ccccc1O)[C@H]1c2ccccc2C(=O)N(c2ccccc2)C12CCCCC2 20736110 QYGQQFKCFAFMIK-XMMPIXPASA-N 426.516 5.478 0 40 IKAB CCCOc1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)c1 27744603 RIRXSADSBLSONG-DEOSSOPVSA-N 428.532 5.527 0 40 IKAB CC[C@H]1CCc2c(c(-c3ccc(NC(C)=O)cc3)nc3c(-c4ccc(Cl)cc4)cnn23)C1 35325621 HSJQQHQPGUWCLB-KRWDZBQOSA-N 444.966 6.190 0 40 IKAB Cc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3ccc(Br)cc3)o2)S1 35646399 ILFVMJCWCSUBJU-UNOMPAQXSA-N 439.334 6.100 0 40 IKAB CCOc1ccc(N(CCCN2CCOCC2)c2nc(-c3ccc(F)cc3)cs2)cc1 36242260 PZHBHMXHEDSFKK-UHFFFAOYSA-N 441.572 5.208 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)c1ccccc1 38991449 ZWWFPTNHBKGDFJ-AREMUKBSSA-N 426.560 5.519 0 40 IKAB Cc1ccc(-c2nc(S(=O)(=O)c3ccc(Cl)cc3)c(NCc3ccco3)o2)cc1 39404181 PEQZTOYQEMXOKO-UHFFFAOYSA-N 428.897 5.341 0 40 IKAB C[C@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58166336 DUKINSFSYPYOFP-HRAATJIYSA-N 433.508 5.587 0 40 IKAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csc(-c2cccc(OC)c2OC)n1 71844259 OUOKRJNWCFKZBA-RXVVDRJESA-N 436.577 5.626 0 40 IKAB CCCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72214962 XNFLTTADWYOYHB-UHFFFAOYSA-N 435.565 5.111 0 40 IKAB CN(CCCC(=O)N1CCC[C@H](c2n[nH]cc2-c2ccc(Cl)cc2)C1)c1ccccc1 72380423 UXLDERHBGKTJIR-FQEVSTJZSA-N 436.987 5.353 0 40 IKAB O=c1c([C@H]2C[C@@H](c3ccc(-c4ccccc4)cc3)Cc3ccccc32)c(O)oc2ccccc12 87724195 NZOWVZVFSVRNOR-IGKIAQTJSA-N 444.530 7.028 0 40 IKAB Cc1ccccc1C1(C(=O)Nc2ccc(O)c(-c3nc4ccccc4s3)c2)CCOCC1 89689216 CNABCQLLGCRZJV-UHFFFAOYSA-N 444.556 5.664 0 40 IKAB CCCN(C(=O)c1cccs1)C1CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)CC1 89955584 KLABSGYSJHFZPG-UHFFFAOYSA-N 439.408 5.141 0 40 IKAB O=C(Nc1ccc(Cc2ccc(NC(=O)C3[C@@H]4CCCC[C@@H]34)cc2)cc1)C1[C@H]2CCCC[C@H]12 100289558 KZJDDLZDKVGKTB-IHHOGKELSA-N 442.603 6.027 0 40 IKAB Ic1ccc(C2=C[C@@H](c3ccccc3)n3c(nc4ccccc43)N2)cc1 100766393 BSUYEIQQKYFQOV-NRFANRHFSA-N 449.295 5.697 0 40 IKAB CC1(C)CC2=Nc3ccccc3N[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=C(O)C1 102864607 JWIFDSHQTVANIX-VWLOTQADSA-N 446.635 7.859 0 40 IKAB COc1cc(OC)c(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)cc1Cl 102935321 XNBZTEVOYJTHNY-CJKMCJCZSA-N 442.781 5.420 0 40 IKAB Cc1ccc(OCCN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3)C2=O)cc1 106783063 GORYMHDOVYVBMP-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB Clc1ccc(NCc2cc(Br)ccc2OCc2cccc(Cl)c2)cc1 107037674 KUNJHCZVZPVHRM-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1cc(O)c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1C 108017590 QMZJBUULMCIKKX-UHFFFAOYSA-N 425.362 5.657 0 40 IKAB S=C(c1ccc(OCc2ccc(Cl)cc2)cc1)N1CCN(Cc2ccccc2)CC1 108909209 QNMMKUJVAQKMFS-UHFFFAOYSA-N 437.008 5.412 0 40 IKAB CC[C@@H](Oc1cccc2ccccc12)C(=O)Nc1ccccc1C(=O)NCc1ccco1 216478621 BAUKHIZHKFPYGN-HSZRJFAPSA-N 428.488 5.159 0 40 IKAB Cc1ccc(CSCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218870213 RHBSZXAXKYLPLF-UHFFFAOYSA-N 436.415 5.309 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)cc1 222825602 DYTFXJIMCGVMGN-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223081348 RIEVYQMOUINFTE-UHFFFAOYSA-N 430.523 6.103 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccccc1C 223314060 WLXHMTARLDNJQJ-WNCULLNHSA-N 442.603 5.092 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1 223555262 ASQXZUMJPCROJF-JOCHJYFZSA-N 444.641 5.140 0 40 IKAB O=C(NCCCc1cccc2ccccc12)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223930849 MSAWQDWNELXCFT-UHFFFAOYSA-N 444.556 5.003 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224071752 ALLCSNONMOBBAQ-MHZLTWQESA-N 444.619 5.539 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)cc1 224272305 KQRXCYIDHSYEED-IBGZPJMESA-N 429.004 5.025 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1cc(C)cc(C)c1 224532494 WZRQDJIMDHGQLA-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 224580488 XHHPCBPFODFXAB-DNQXCXABSA-N 445.519 5.666 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960911 XHKXTVJKFSVGOG-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1C 225172941 GQILOGKQPARSSS-RTBURBONSA-N 447.044 5.214 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225312505 UQWAPSCOSCOGRQ-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB COC(=O)/C=C/c1cc(Br)c(OCc2cccc3ccccc23)c(OC)c1 226337740 UWULUYUPCLIWNQ-ZHACJKMWSA-N 427.294 5.376 0 40 IKAB Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4ccnn4C(C)C)C3)c2)cc1 257312027 UMDLYVUQQOMRCL-NRFANRHFSA-N 446.599 5.038 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@H](Cc2cccc3cccnc23)C1 257313764 UUAJNRIWNNEQMG-OAQYLSRUSA-N 437.543 5.310 0 40 IKAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)n(C)n1 257326499 WXJVDCZHDUNYFE-HXUWFJFHSA-N 426.948 5.143 0 40 IKAB COc1cc(CNc2ccc(Br)c(Cl)c2)ccc1OCc1ccccc1 408553708 BMJRVQDUUNBPIT-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1cc(CNc2ccc(F)cc2)ccc1OCC(=O)Nc1cc(Cl)ccc1C 408558677 VFEQUSJSCALPAQ-UHFFFAOYSA-N 428.891 5.426 0 40 IKAB COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)cc2Cl)cc1 408574354 LYWONAKYNRGNMN-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 408580679 QQFGFBFGESCAAS-NRFANRHFSA-N 447.343 5.613 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2ccc(C(=O)O)cc2)cc1)Sc1nc2ccccc2[nH]1 408633943 OANPCYKWXAPFAE-BKUYFWCQSA-N 446.484 5.058 0 40 IKAB Cc1c(Cl)cccc1NC(=O)COC(=O)CCCC(=O)Nc1cccc2ccccc12 408644567 GUZMQQVMTKQNNP-UHFFFAOYSA-N 438.911 5.092 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3Cl)nc2-c2ccccc2)c1C 408695008 NYUUOBXSPYLSKI-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408704107 XPPILZCZMASWGV-UHFFFAOYSA-N 449.016 5.589 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cc(C)cc3C)cc2-c2cccc3ccccc23)c1 408728093 ZTIKWZZWBMWWRX-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB CCOc1cc(/C=C2\N=C(c3ccc(OC)cc3)OC2=O)ccc1OCc1cccc(C)c1 409026381 NLJSZHALPNHTGQ-HAHDFKILSA-N 443.499 5.326 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(F)cc3)c(OCC)c2)C1=O 409062636 YDSJYDGDTRQKKP-STZFKDTASA-N 429.513 5.640 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@@H]2C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]32)c2ccc(C)cc2)cc1 409086548 FEEFSGHDGFWUEV-RZCBTRPQSA-N 445.562 6.035 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cc(C)cc(C)c3)nnc2-c2ccccc2)cc1 409103514 ABMIDEBQGYGILH-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB Cc1cccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409113562 HESBAHZUAQVCIN-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCOc1ccc(NCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 409121278 YVEFMHYDTIOOAH-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB CC(C)CNC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccc(Cl)c(Cl)c1)N2 674718 LDTIVVFEFFISDE-DZGCQCFKSA-N 435.277 5.236 0 40 IKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 884814 LWBIMIIEPNONKY-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB O=C(CSc1nnc(-c2ccccc2O)o1)Nc1c(Cl)cc(Cl)cc1Cl 970954 LFMWBOWFEAJNTH-UHFFFAOYSA-N 430.700 5.133 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 982729 ZNTIFCZYTDMHHM-AREMUKBSSA-N 430.573 5.584 0 40 IKAB COc1ccc(OC)c(NC(=O)CSc2nc(C3CCCCC3)nc3ccccc23)c1 1376432 PMOFXQIDBLSFMP-UHFFFAOYSA-N 437.565 5.426 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccc(F)cc2)Cc2cc3cccc(C)c3[nH]c2=O)cc1 1378243 SLMVVKWPLUKFGM-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB CCOC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CCCC2 1809132 NKXCYZVLLNEFFD-QINSGFPZSA-N 434.355 5.178 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Br)cc1 1986260 IJNVAHBJNSDLCG-UHFFFAOYSA-N 430.323 5.607 0 40 IKAB CCc1ccc(-c2csc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)n2)cc1 2107835 DYNLLUFKSBHMKK-UHFFFAOYSA-N 433.385 7.146 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1 2137980 GXZXFPSCDAXXPK-UHFFFAOYSA-N 446.550 7.191 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)CCc2ccccc2)cc1Cl 2256659 NYHPKQGPSZAXPF-UHFFFAOYSA-N 433.891 5.897 0 40 IKAB CCOC(=O)[C@@H](C)Sc1cc(CSc2ccc(Cl)cc2)nc(-c2ccccc2)n1 3104481 DSNALBSJCGDOSD-OAHLLOKOSA-N 445.009 6.133 0 40 IKAB O=C(COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1)Nc1ccccc1OC(F)F 3318765 NFXCSPXXGNPMQS-FOWTUZBSSA-N 447.434 5.211 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NS(=O)(=O)c3ccc(C(C)=O)cc3)cc2)cc1 3389456 QMMHDUZGVSVXRQ-UHFFFAOYSA-N 437.561 6.170 0 40 IKAB C[C@@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3458170 ZIEKYJDGMOGCGQ-IBGZPJMESA-N 440.543 5.051 0 40 IKAB O=C1N[C@@H](c2cccc(OCc3ccccc3)c2)Nc2c1sc(=S)n2-c1ccccc1 3666634 LAUPQMQIHPFGTH-NRFANRHFSA-N 445.569 5.701 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109789 VZSHQVQOHYSEOT-XBXARRHUSA-N 429.269 6.264 0 40 IKAB Cc1ccc(Cn2ccc(NC(=O)c3cc(-c4ccc(Cl)c(Cl)c4)on3)n2)cc1 8592812 KFCAJULIVHXULV-UHFFFAOYSA-N 427.291 5.454 0 40 IKAB Cc1ccc(-n2nc(C)c([C@H]3C=C[C@@H](OC(=O)Nc4cccc(F)c4)C3)c2C)cc1Cl 8624081 IDQFLQQTOYDDHF-LAUBAEHRSA-N 439.918 6.251 0 40 IKAB biogenic,in-vitro O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1ccc(Cl)c(Cl)c1 8781676 YWRZQJFRLSVZPJ-UHFFFAOYSA-N 439.129 6.054 0 40 IKAB COc1cccc(NC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc4c(c3)OCO4)n2)c1 8790964 GJNUUTCYCDDUJA-UHFFFAOYSA-N 437.455 5.373 0 40 IKAB biogenic Cc1ccc(CSCc2nc3cc(Cl)ccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 8925804 DUDPFQSOIHDTFH-UHFFFAOYSA-N 434.992 6.398 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3Br)cc21 8959797 KGCQNIUOQJGRME-UHFFFAOYSA-N 445.357 5.109 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8974682 PBJHZUJBHMNEJD-QHCPKHFHSA-N 442.490 5.370 0 40 IKAB O=C1CCc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)ccc2N1 9056682 SVJAXIXVXVKXIK-UHFFFAOYSA-N 439.540 5.465 0 40 IKAB CCOc1ccc(-c2[nH]nc(C(F)(F)F)c2-c2ccc(Br)cc2)c(O)c1 9130720 JFTYMQVWZWIISZ-UHFFFAOYSA-N 427.220 5.629 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(C)cc(C)c1C(=O)Nc1cccc(C)c1 9250140 CSBPCHMILHTIPQ-UHFFFAOYSA-N 433.577 5.552 0 40 IKAB Clc1ccc(-c2nnc(CSc3nnc(-c4ccc(Cl)cc4Cl)[nH]3)o2)cc1 9328004 RGTIHHNXLPDMHQ-UHFFFAOYSA-N 438.727 5.774 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)C1(S(=O)(=O)c2ccc(Cl)cc2)CCCC1 9376265 AXDZPYYRAPKOQC-UHFFFAOYSA-N 448.028 6.312 0 40 IKAB COc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccccc3s2)cc1 9451036 HCCFJINRVKYPDP-OAQYLSRUSA-N 440.480 5.161 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)Cc2nc(-c3c(C)[nH]c4ccccc34)cs2)c(C)c1 9536828 BPLYJGVWNYDBHQ-UHFFFAOYSA-N 432.593 5.596 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](OC(=O)c1cc(C)nc2ccccc12)c1ccccc1 9588178 LFSQQICLCGNEGS-RUZDIDTESA-N 440.499 5.479 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccc4c(c3)OCCCO4)c2n1 9672681 JHRDTVZCQJVSQB-UHFFFAOYSA-N 433.291 5.029 0 40 IKAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2C(F)(F)F)c2ccccc2n1 10965373 SXZFVKGOQSNFTG-UHFFFAOYSA-N 439.393 5.660 0 40 IKAB Cc1cc(-c2cnc(NCc3c(C)nn(-c4ccccc4)c3C)nc2-c2ccco2)on1 12184395 LWZBUUYZHHCBJF-UHFFFAOYSA-N 426.480 5.115 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4ccc(F)cc4)=Nc4ccc(F)cc43)cc2)cc1 12497712 QIFBDKKVLQRGCQ-UHFFFAOYSA-N 439.465 6.074 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CN1Cc1ccc(F)cc1 12538666 ZGBQYQSRXOMEEV-IBGZPJMESA-N 433.914 5.393 0 40 IKAB Cc1ccc(NC(=O)c2nnc(CSc3nccn3-c3ccc(C)cc3C)s2)cc1 12604257 SICJELGZVRWXSP-UHFFFAOYSA-N 435.578 5.194 0 40 IKAB CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 12658241 CVNNVTLAZGNFPJ-XLVZBRSZSA-N 427.544 6.973 0 40 IKAB biogenic Cc1nc(-c2ccc(CNC(=O)c3c(-c4c(F)cccc4Cl)noc3C)cc2)cs1 12783258 YJCXVANYDYXTOW-UHFFFAOYSA-N 441.915 5.804 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3cc(Cl)ccc3Cl)c2n1 13527664 HJJKEOIDTNCEMH-UHFFFAOYSA-N 430.118 6.174 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(Cc3c(C)noc3C)o2)sc2c1CCCCC2 13640966 KURLWCGYGJZOAV-UHFFFAOYSA-N 442.537 5.235 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](c2ccc(Cl)cc2)OC3=O)cc1 13690248 XILABHKMBLMNDO-QFIPXVFZSA-N 434.879 5.005 0 40 IKAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1Cl 13709158 YNSTYUCXOJJBRC-OAHLLOKOSA-N 434.388 5.964 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3C)cc2)cc1 14492994 BVABMVFEOAKPRM-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 14651658 RIMCCUODDJOIPN-UHFFFAOYSA-N 426.310 6.283 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 14734337 PNBREWRCRSMNEJ-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c1 16637587 YATWTRWASCQBQN-UHFFFAOYSA-N 428.529 5.264 0 40 IKAB O=S(=O)(c1ccccc1)[C@@H](SC(=S)Sc1ccccc1)Sc1ccccc1 17064283 FVLCEMAJBZYOKD-HXUWFJFHSA-N 448.681 6.347 0 40 IKAB Cc1n[nH]c(C)c1Cc1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17100759 BCAVORFUZUCIKA-UHFFFAOYSA-N 436.625 5.037 0 40 IKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(Cc2cccc(C(F)(F)F)c2)n1 17102066 ZBCIMEXXZZJAMW-UHFFFAOYSA-N 438.449 6.301 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1cccc(Br)c1 18832837 HWUNKEHEBLKUIJ-UHFFFAOYSA-N 434.721 5.205 0 40 IKAB CC(C)(C)c1cc([C@@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc(C(C)(C)C)c1O 19618437 MAHGPLUSDJLYCO-HSZRJFAPSA-N 425.569 5.138 0 40 IKAB Cc1nc([C@@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 19743130 GOUMBYQNGJIBLL-VWLOTQADSA-N 440.591 5.034 0 40 IKAB Cc1ccc(Cc2nnc(SCC(=O)Nc3ccc(C)c(Br)c3)o2)cc1C 20196906 RBSSQGSVOMUYRY-UHFFFAOYSA-N 446.370 5.079 0 40 IKAB CCc1nn2c(C)c(C(=O)Nc3ccc(Cl)c(C)c3)nnc2c1-c1ccc(Cl)cc1 20672687 VVRIXPWONPGLBK-UHFFFAOYSA-N 440.334 5.530 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H]1CC(O)=Nc2c(-c3ccc(Cl)cc3)cnn21 20735757 MILHWOFIUWZHFP-INIZCTEOSA-N 434.805 5.394 0 40 IKAB CC[C@H](C)c1ccc(-n2c(SCc3nnc(C)o3)nc3ccc(Cl)cc3c2=O)cc1 23482239 QFZXSYIJWVEQEN-ZDUSSCGKSA-N 440.956 5.536 0 40 IKAB C[C@@H](Sc1nnc(-c2ccncc2)o1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 25054454 CJGHYOPMEFBUKF-OAHLLOKOSA-N 447.951 6.036 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1nc2c(s1)CCN(Cc1ccccc1)C2 25329468 YNBSDKOFDBHHEN-UHFFFAOYSA-N 432.471 5.364 0 40 IKAB O=C(/N=C1/c2ccccc2CN1c1ccccc1C(F)(F)F)Nc1ccc(Cl)cc1 27986574 KMJHEEQPCAWWDB-RRAHZORUSA-N 429.829 6.358 0 40 IKAB Cc1ccccc1[C@@H](Sc1nnc(-c2cccs2)n1CCC(N)=O)c1ccccc1 28190354 NEHOISJDYDMDPS-NRFANRHFSA-N 434.590 5.072 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2)cc(Br)c1OCC 33659705 FMFAWPVYQIQBDD-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccccc2C)cc1 35125037 RLQFYMCAJOHOSU-UHFFFAOYSA-N 430.367 5.461 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1Cl 38752922 FDROBCZHLVPGIQ-UHFFFAOYSA-N 434.923 5.332 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c(C)c1 44839733 QYRLODKRNSOUPG-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C(C)(C)C)cc1 44906083 BXTHCURROLJOFM-QGZVFWFLSA-N 447.450 6.380 0 40 IKAB COc1c(Br)cc(Cl)cc1NC(=O)Cc1c(C)nn(-c2ccccc2)c1C 58063318 MVINZLPJYGLRDD-UHFFFAOYSA-N 448.748 5.095 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccn3)sc2c1)c1ccc(Cl)cc1Cl 59417571 CGVNVNNQELUSBO-UHFFFAOYSA-N 446.384 6.543 0 40 IKAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2Cc2ccc3c(c2)OCO3)c1 67259391 KCRVTOJMIUBLKZ-UHFFFAOYSA-N 430.529 5.083 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)N(C)[C@@H](c1ccc(Cl)cc1)c1cccnc1 72277977 QAAJTURREAVTAG-VWLOTQADSA-N 435.999 7.235 0 40 IKAB Brc1ccc(Cc2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1 73638785 JADSJMAFTUWSQC-UHFFFAOYSA-N 443.138 6.611 0 40 IKAB Brc1ccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)cc1 84598165 NPFGBOHOVBKXKM-UHFFFAOYSA-N 436.309 5.144 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(C)cc2)on1)c1ccc(C(C)(C)C)cc1 94992818 LZPZYCHKMQINBO-DEOSSOPVSA-N 433.596 5.760 0 40 IKAB CN(Cc1ccccn1)C(=O)c1ccc2onc(-c3csc(-c4ccccc4)n3)c2c1 96154475 LOQGXOKJLOPPLE-UHFFFAOYSA-N 426.501 5.286 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc2c(c1)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@H](c1ccccc1)N2 100857505 VCWRTYSELLQTOI-BUXSOZPSSA-N 438.571 6.634 0 40 IKAB CC(C)(C)c1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 101472944 XEVKWAVTQJYFCZ-MMTVBGGISA-N 440.562 7.752 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 214782811 QPBJTZATJGWNIC-RGVLZGJSSA-N 444.339 6.392 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222714666 UDRMVHHCMUJLED-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n(-c2ccccc2)c1C 223366737 TYPPUHQARVTOSI-JWQCQUIFSA-N 442.588 5.563 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2)cc1 223841336 JSNNFHGITLYIAX-SFHVURJKSA-N 439.602 5.182 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)Nc3ccccc3-c3ccccc3)c2)cc1 223956107 VMISOZIWGNCNTM-UHFFFAOYSA-N 442.540 5.715 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccccc3F)c2)cc1 224158213 MBEAFCZSWZWIGN-UHFFFAOYSA-N 440.540 5.246 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)c1 224244176 AIUQGBOFUMKGIY-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC2CCCC2)cc1 224276322 CXWWRUJVHSQGPK-AREMUKBSSA-N 434.624 5.356 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1COc1ccc(C)c(C)c1 224289423 XHJDZWCLLWWDAI-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)cc1C 224329857 FUZFTVAEMNUCPI-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224379698 ZZIOYFOKSMDXHD-IZZNHLLZSA-N 439.584 6.642 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 224409948 MMDHZPQCERQPPO-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224972797 DKYXPUNNNVDUKY-QFIPXVFZSA-N 449.422 5.158 0 40 IKAB Cc1ccc(C(=O)NC[C@H](C)Cc2cccc3ccccc23)c(I)c1 225030952 WKROLORMAWYXBS-MRXNPFEDSA-N 443.328 5.361 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C 225478345 CGRQBKJNPDOTAU-GOSISDBHSA-N 433.017 5.073 0 40 IKAB C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2Cc2ccccc2)cc1 225543325 WAUUKMRSNFATSL-UHFFFAOYSA-N 449.579 6.375 0 40 IKAB Cc1cc(F)ccc1S(=O)(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 225595515 KTMFGSYXUQKLNR-UHFFFAOYSA-N 425.525 5.463 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(CSc2ccccc2)cc1 225703477 NAHUKYMPHFZGBN-XMMPIXPASA-N 434.630 6.352 0 40 IKAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225919976 SYJUJSJSHBRKTF-UHFFFAOYSA-N 436.924 5.669 0 40 IKAB CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@]6(C)CCC(=O)C(C)(C)[C@@H]6CC[C@]54C)[C@H]2[C@H]1OC3 245380358 XGDVSJLOTVQNKY-LMQLJKFYSA-N 440.712 7.446 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCC[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257258040 KSDUGVPFVCSEPE-GOSISDBHSA-N 449.457 5.218 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(C(C)C)C3=O)cn(Cc3ccc(Cl)cc3)c12 409133645 LZQBHRCLZZREOJ-MTJSOVHGSA-N 438.980 6.350 0 40 IKAB O=C1S[C@@H](Cc2ccc(OCc3ccccc3)cc2)C(=O)N1Cc1ccc(Cl)cc1 409143928 ONGPEMHTUNNOOS-QFIPXVFZSA-N 437.948 5.726 0 40 IKAB O=C1S/C(=C/c2cn(Cc3ccc(F)cc3)c3ccccc23)C(=O)N1CC1CCCCC1 409146943 LVXZATZDSXRZLQ-ZVHZXABRSA-N 448.563 6.445 0 40 IKAB COc1ccc(NC(=O)CCSc2nnc3scc(-c4ccc(Cl)cc4)n23)cc1 630196 VYDSZDNKWHADOH-UHFFFAOYSA-N 444.969 5.241 0 40 IKAB COc1cccc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 876061 IOAJYGQGCVQHOV-UHFFFAOYSA-N 447.516 5.114 0 40 IKAB O[C@H](COc1ccc(Cl)cc1Cl)Cn1cnc(-c2ccccc2)c1-c1ccccc1 948012 ZILHHWOBUVCBAA-FQEVSTJZSA-N 439.342 5.964 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2cc(C)ccc2[nH]c1=O 1353127 XKMQAYAVLHBYBX-UHFFFAOYSA-N 433.533 5.141 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3ccccc3Cl)cc2c1 1359265 BRZIMLXUTMPGSN-UHFFFAOYSA-N 430.935 5.375 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4c[nH]c5ccccc45)c23)C1 1377244 XURLKWLIBYWYKA-ZDUSSCGKSA-N 433.602 6.150 0 40 IKAB CC1(C)[C@H](N(O)C(=O)Nc2ccccc2)N(c2ccccc2)C(=O)N1CCC1=CCCCC1 1445196 PWDKENAYFQNPIK-QHCPKHFHSA-N 448.567 5.847 0 40 IKAB CCN(CC)CC[C@H](CNc1c(C)cnc2cc(Cl)ccc12)c1ccc(Cl)cc1 1592016 BEHRYSUQMOVSKT-LJQANCHMSA-N 430.423 6.778 0 40 IKAB Cc1cccc(COc2ccc3c(=O)c(Oc4ccccc4Br)coc3c2)c1 1770161 MUIMOXWPGXQJIL-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB CCCOc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4)c(=O)c23)cc1 1911969 MXVMLUCYOVVAKG-QGZVFWFLSA-N 448.544 5.218 0 40 IKAB Clc1ccc(-n2ncc3c(NCCC(c4ccccc4)c4ccccc4)ncnc32)cc1 2367047 ZWZMLIKSHBPMQP-UHFFFAOYSA-N 439.950 6.103 0 40 IKAB O=C(NC[C@@H](Cc1ccccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 2510774 FVEADEHWLHODKZ-QGZVFWFLSA-N 435.907 5.122 0 40 IKAB Brc1ccccc1-c1nnc(-c2cc(-c3ccccc3)nc3ccccc23)o1 2711793 ROESEFLNIDJRKS-UHFFFAOYSA-N 428.289 6.381 0 40 IKAB COc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)cc4C)cc3N2)cc1 3011655 SVOLYYCMEMBNTQ-AZUAARDMSA-N 444.457 5.421 0 40 IKAB Cc1c(OC(=O)c2ccccc2)ccc2c1C=C[C@@]1(C)[C@@H]2CC[C@@H]1[C@@H](C)CCCC(C)C 3054509 VIXDHGDNWWEKMR-UQOSEDCMSA-N 430.632 8.203 0 40 IKAB Cc1ccc(Oc2ccc(OCC(=O)NCCNc3ccc4ccccc4c3)cc2)cc1 3186898 WUJNJDPUORCNCK-UHFFFAOYSA-N 426.516 5.548 0 40 IKAB O=C(CSc1ccc(Br)cc1)Nc1ccccc1Sc1ccccc1 3264267 KCIHHOCIHNMZOA-UHFFFAOYSA-N 430.392 6.331 0 40 IKAB Cc1ccc(C(=O)[C@H](OC(=O)Cc2ccc(Br)cc2)c2ccc(C)cc2)cc1 3314311 ZKYREJHGUDOMQS-XMMPIXPASA-N 437.333 5.776 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(F)cc1 4786723 COWGUGYUPXKJIP-QHCPKHFHSA-N 428.467 5.112 0 40 IKAB C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@@H]1CC[C@@H]2O 4946193 UTXNYGUZJLLOSP-KUQKPUHUSA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro COc1ccc(C[C@H]2c3ccccc3CN3c4sc5c(c4C(=O)N[C@H]23)CCCC5)cc1 6148323 XCUAPPLVYNFZIA-URXFXBBRSA-N 430.573 5.052 0 40 IKAB Brc1ccc(Cn2c(-c3ccc(Br)cc3)nc3ccccc32)cc1 6446963 KAHUMZJCUKCYOY-UHFFFAOYSA-N 442.154 6.277 0 40 IKAB COc1ccc(C(=O)CSc2nc(-c3ccccc3)nc3sc4c(c23)CCCC4)cc1 6924774 VWHOAXSNKIZVBR-UHFFFAOYSA-N 446.597 6.221 0 40 IKAB CCOc1cc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1cccs1 8254759 OSSPYYQPCXEVMA-FJDLLSKQSA-N 425.638 6.420 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 8832437 WJELNCAJDUSEHC-MRXNPFEDSA-N 442.625 5.447 0 40 IKAB Cc1ccc(CSc2nc(CC(=O)Nc3nc4ccc(C)cc4s3)cs2)cc1 8936720 HENGIOLOZCHKTE-UHFFFAOYSA-N 425.604 5.843 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(COc3ccc(F)cc3)o2)cc1 9222420 IXLVODUSAXCGCM-UHFFFAOYSA-N 435.480 5.332 0 40 IKAB COc1ccc(OC)c(NC(=O)CSc2nnc(Nc3ccc(C(C)C)cc3)s2)c1 9285559 LYWBROBBTZTRSM-UHFFFAOYSA-N 444.582 5.153 0 40 IKAB Cc1nc(N2CCC(C(=O)N3CCCCCC3)CC2)c2c(-c3ccccc3)csc2n1 9465585 SNVDGMCWJOFQMK-UHFFFAOYSA-N 434.609 5.286 0 40 IKAB Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1NC(=O)c1ccco1 9712170 MTFBTNHUSDWOSA-HXUWFJFHSA-N 445.544 5.817 0 40 IKAB O=C(c1ccco1)n1nc(NCc2cccc(Cl)c2)nc1NCc1cccc(Cl)c1 9847099 KNAONHMTGQEHAO-UHFFFAOYSA-N 442.306 5.091 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc5ccccc5c4)cc3)nc2c1 9892069 YIFWQIGPXNAORY-UHFFFAOYSA-N 436.511 6.789 0 40 IKAB Clc1cccc(-n2c(SCc3cc(-c4ccco4)on3)nnc2N2CCCC2)c1 9950170 IOVZPPNYVABVLS-UHFFFAOYSA-N 427.917 5.061 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3cc4ccccc4o3)c2-c2nc3ccccc3s2)C1 10587027 JRCKSCYHDROZOC-CQSZACIVSA-N 444.581 7.148 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(Cl)ccc3C)c3ccccn23)cc1 12342167 RRQUDKOLTRJWKJ-UHFFFAOYSA-N 447.922 5.365 0 40 IKAB Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2nc(C)c3ccccc3c2=O)cc1 12941087 WIRDNHZLBQLYPH-UHFFFAOYSA-N 433.895 5.098 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)c1 13025916 TWRWNUPJVZJUGR-VWLOTQADSA-N 446.547 5.352 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2cccc(OC)c2)cc1 13098749 IZGWCNPPMQSJJH-UHFFFAOYSA-N 447.560 5.513 0 40 IKAB CCN(CC)C(=O)[C@H](Sc1nnc(-c2ccccc2Br)o1)c1ccccc1 13128541 RILPZRQGQOMYIQ-QGZVFWFLSA-N 446.370 5.201 0 40 IKAB CCN(Cc1ccccc1)[C@@H](c1cccc(C(F)(F)F)c1)c1nnnn1C(C)(C)CC 13561783 WNNHILSXFPQIEJ-FQEVSTJZSA-N 431.506 5.449 0 40 IKAB CCc1ccc2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)cc2c1 13562027 HIWUUIFTBQYKOE-UHFFFAOYSA-N 441.402 6.475 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1C 13648435 DJOYRLBCLJOQFF-PVHODMMVSA-N 448.522 5.508 0 40 IKAB Brc1ccc(-c2nc(-c3ccc4ccccc4c3)c(-c3ccccc3)[nH]2)cc1 13763822 GWRREDGVDCGVBQ-UHFFFAOYSA-N 425.329 7.326 0 40 IKAB COC(=O)c1ccc(CSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)o1 14358225 FNEGIHRGIHUDNF-UHFFFAOYSA-N 446.450 5.775 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(F)cc1Cl 16214753 MXESDQSWDDGTOE-UHFFFAOYSA-N 429.875 5.085 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1 17094257 JOSFRXVFORPIGV-VOTSOKGWSA-N 425.120 5.181 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)cc2)CC1 17103184 VEUHCRCWKGYKBM-UHFFFAOYSA-N 439.353 6.198 0 40 IKAB O=C(CSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccc(F)cc1)N1CCCCCC1 17200821 HHNOXQZOEASWRW-UHFFFAOYSA-N 449.555 5.049 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc3c(Cl)cccc23)cc1 19642401 HRWSQXHZSXMKBK-UHFFFAOYSA-N 444.918 5.912 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(C(C)C)cc4)cc3n2)cc1 19645548 UERUZQUDNHNJDE-UHFFFAOYSA-N 446.982 6.792 0 40 IKAB O=C1C[C@@H](c2ccco2)Cc2c1c(Nc1cccc(C(F)(F)F)c1)nn2-c1ccccc1 19817289 GUWRHWCBWBUOOR-HNNXBMFYSA-N 437.421 6.140 0 40 IKAB CCCCCOc1ccc([C@](O)(C(C)C)[C@@H](CN2CCOCC2)c2ccccc2)cc1 19851251 NMTSUZDLHHSAJZ-RRPNLBNLSA-N 425.613 5.215 0 40 IKAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20104280 SOFJMXDKCFSGGU-QFIPXVFZSA-N 448.415 6.354 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3sc4ccccc4c3Cl)sc2c1 20411472 YSXOMWQRJURUCB-UHFFFAOYSA-N 444.965 6.374 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(C)cc3C)c(Cl)c2)cc1 20460508 VWPXVCKIWJOAQH-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOc1ccc([C@@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc4ccccc4n32)cc1 20797333 YBLSRDBOVOKOIR-RUZDIDTESA-N 438.531 5.671 0 40 IKAB COc1cccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)c1 21578949 PHFQBAFUOWJBOU-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1cccc(-c2nnc([C@@H](C)N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)c1 22785833 WBRKATGJDMEAJQ-JOCHJYFZSA-N 438.575 5.513 0 40 IKAB CCc1nc2ccccc2c(C(=O)Nc2nc(-c3ccc(NC(C)=O)cc3)cs2)c1C 23076679 VXXIZTQMCWJNIJ-UHFFFAOYSA-N 430.533 5.440 0 40 IKAB COc1ccc(OCC(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1 27744473 YZFXJCJZCLAUSI-NRFANRHFSA-N 434.923 5.157 0 40 IKAB COc1ccc(CCNC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1OC 29506904 FHFBXVVIPAWRNB-UHFFFAOYSA-N 446.478 5.137 0 40 IKAB O=C1CSc2ccc(C(=O)Nc3nc(-c4cccc(C(F)(F)F)c4)cs3)cc2N1 31182447 NRFYUTHDHOINJN-UHFFFAOYSA-N 435.452 5.125 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C)C(c2ccco2)C(C(=O)Nc2ccccc2C)=C(C)N1 31817422 WEQKUHHRFDLVPO-UHFFFAOYSA-N 441.531 5.409 0 40 IKAB CN1C(=O)[C@]2(CC(O)=Nc3c2sc(C(=O)O)c3-c2ccc(Cl)cc2)c2ccccc21 32097222 XHNZWYOLENUNSY-JOCHJYFZSA-N 438.892 5.021 0 40 IKAB O=C1N=C(Nc2ccc3ccccc3c2)S/C1=C\c1ccc(-c2cccc(Cl)c2)o1 35646150 KAFTYGRWUCDGAC-HMAPJEAMSA-N 430.916 6.836 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)Oc2ccc(NC(=O)c3ccccc3)cc2)cc1 36875588 ZECISSQSIDJEFJ-UHFFFAOYSA-N 442.471 5.342 0 40 IKAB COc1cccc(-c2nc(SCC(=O)Nc3nccs3)c(-c3ccc(F)cc3)[nH]2)c1 49421460 ZXMJLUOBTCJJNF-UHFFFAOYSA-N 440.525 5.079 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 57487425 MQLAVKGEXMIZCV-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB Cc1cccc(-c2nnc(NC(=O)c3cc4ccccc4o/c3=N\c3nccs3)s2)c1 57523731 RDPVFRMEOYWGHV-PLRJNAJWSA-N 445.529 5.201 0 40 IKAB Cc1c(C(=O)N2CCC(n3c(C)ccc3C)CC2)cnn1-c1cccc(C(F)(F)F)c1 58440261 VSUYZZVLAQJPQE-UHFFFAOYSA-N 430.474 5.095 0 40 IKAB O=C(NCc1ccc2c(c1)OCO2)c1scc(-c2ccc(Cl)cc2)c1-n1cccc1 64472778 NJBHQAUVPAPHOT-UHFFFAOYSA-N 436.920 5.518 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1Cc1ccccc1Cl 67258532 CSCWNQWTGQOIGR-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB Cc1ccc(-c2cc3c4nnc(SCc5ccc(C(C)(C)C)cc5)n4ccn3n2)cc1C 67260620 RDHHAIYFUXRTQP-UHFFFAOYSA-N 441.604 6.251 0 40 IKAB Cc1cccc(Nc2ccc([C@H]3CCCN3C(=O)CCc3nc4ccccc4s3)nc2)n1 72353089 DRFDSKJBFLCRDC-OAQYLSRUSA-N 443.576 5.435 0 40 IKAB COc1ccccc1CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1ccccc1C(F)(F)F)C2 100425779 IEPHGEUEKDHBEY-OALUTQOASA-N 447.501 5.421 0 40 IKAB CCN(CC)C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(Cl)cc1)CC2 104400135 HPRLCCJVIPXEAK-SDXDJHTJSA-N 448.950 5.400 0 40 IKAB C[C@@H]([C@H]1C[C@H]2CC[C@H]1C2)n1c(COc2ccccc2F)nnc1SCc1cccnc1 109016471 POPRPECCKAJPEI-QGZVKYPTSA-N 438.572 5.681 0 40 IKAB COc1ccc([C@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 113928940 CWHXEFZGRCFBKS-NDEPHWFRSA-N 434.539 6.369 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915002 OSYGNEOCCSKLON-GMZOJPPVSA-N 438.652 6.325 0 40 IKAB CC(=O)O[C@@H]1C(=O)[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@H]12 118927816 VTTIIPCPXXZOKN-VJIIPHQCSA-N 444.700 7.218 0 40 IKAB C[C@@H]1C[C@@H](C)CN(Cc2ccc3oc(-c4cccc(I)c4)nc3c2)C1 216839466 RZZCGPHSEQOMKY-HUUCEWRRSA-N 446.332 5.577 0 40 IKAB Cc1ccc(CNC(=O)[C@H](C)N(Cc2ccc(Cl)cc2)C(=O)CCc2ccccc2)cc1 222842037 XMLRAGPQKUHEHL-NRFANRHFSA-N 448.994 5.315 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222885644 ICOQQJBJTUORAM-VQTJNVASSA-N 430.499 5.274 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccccc2Cl)no1 222940856 UDAXFPQZQRPPEE-LJQANCHMSA-N 427.932 5.161 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H](CC)Oc2ccc(Cl)c(C)c2)sc2c1CCCC2 223017990 HCFFWJZOBCFJHU-QGZVFWFLSA-N 435.973 5.562 0 40 IKAB COCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Sc2ccc(C)cc2)o1 223048420 GHTPDWRTFBYSEM-FCHUYYIVSA-N 439.606 5.143 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(C)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223095092 NAJSKZYCRKJOLY-SANMLTNESA-N 428.576 5.070 0 40 IKAB Cc1ccc(Nc2ccc(C(=O)OC(C)C)cc2S(=O)(=O)Nc2ccc(C)cc2)cc1 223422644 WCUOQBNHVMOIGW-UHFFFAOYSA-N 438.549 5.413 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1 224059637 HGIGJTIJFOHJSM-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3ccc(C)cc3)c2)cc1 224145924 BAPYCPGSCCCXLS-UHFFFAOYSA-N 436.577 5.415 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1C 224324700 HAZUVXUPCGHSAS-QHCPKHFHSA-N 426.988 5.057 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3Cl)c2)cc1 224479448 RABZCVJWRGCGJG-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1cc(C)cc(C)c1C 224615596 PKZPFSZNHSIBPH-UHFFFAOYSA-N 446.547 5.800 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(NC(C)=O)cc3)o2)cc1 224911512 CWXGCXXFAREKAC-UHFFFAOYSA-N 427.460 5.228 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225134288 KDECYXWSDYWTBC-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)cc1 225373590 OUPCMDPTWDFYSQ-YLPLVBRQSA-N 446.547 5.234 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)CSCc1ccccc1F 225523408 ATRZDVWJFDZCEI-XXBNENTESA-N 444.616 5.089 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 225695529 RJQWRVKEIRCFRX-VGOFRKELSA-N 449.422 5.566 0 40 IKAB C[C@H]1C[C@@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 226324535 SAXBBVPBAYLCMR-TXEJJXNPSA-N 426.775 5.964 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2ccccn2)CC1 257273170 NFNIEFPPQDWSRN-UHFFFAOYSA-N 433.621 5.160 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)c3ccccc3)CC2)n1 257300500 RUNXSXRJMMZABT-HFMPRLQTSA-N 442.607 5.856 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)c1 408646109 SZVVZHYOPOGEKX-IBGZPJMESA-N 446.522 6.041 0 40 IKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)S1 408804636 ZDHGUSLYHPVLCD-UHFFFAOYSA-N 439.900 5.370 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc(Cl)c1O[C@H](C)CC 408902349 NDCVXJYQAPPEIX-NFECSFHCSA-N 431.941 6.157 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(c4ccccc4)C3=O)cn(Cc3ccccc3)c12 409131384 IVPIUHLRTRWKCS-JLPGSUDCSA-N 438.552 6.493 0 40 IKAB CCOc1c(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cccc1OC 409157680 QDNRMGRIMUMUFE-GZTJUZNOSA-N 448.338 5.093 0 40 IKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc([S@@](C)=O)cc1 535955481 WIHSKDBRAQKUCX-DHMKHTPVSA-N 431.479 5.601 0 40 IKAB COc1cccc(-c2nnc(SCC(=O)N3c4ccccc4Sc4ccccc43)o2)c1 779376 MGJOIMRWOKDZFH-UHFFFAOYSA-N 447.541 5.667 0 40 IKAB Cc1ccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2F)cc1F 1380115 JUMGVDQCEMYCFI-QHCPKHFHSA-N 438.474 5.313 0 40 IKAB Cc1cc(C)c(C(=O)c2ccccc2-c2ccccc2C(=O)c2c(C)cc(C)cc2C)c(C)c1 1728147 SRJOTCYXGQTRNR-UHFFFAOYSA-N 446.590 7.666 0 40 IKAB COc1ccccc1[C@H](CCN[C@H](C)c1ccc(Cl)cc1)c1ccc(OC(C)C)cc1 1832514 RXWYWURDIQKPTK-CJFMBICVSA-N 438.011 7.009 0 40 IKAB biogenic COc1cccc([C@@H]2Nc3ccccc3C(=O)N2c2cccc(C(F)(F)F)c2)c1OC 2085505 UFWIZOGNQBQFKO-OAQYLSRUSA-N 428.410 5.494 0 40 IKAB Cc1ccc([C@@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 2361797 FKURNLGZJPIJHL-SANMLTNESA-N 441.552 7.997 0 40 IKAB CCCCc1nc2sc3c(N(CCO)Cc4ccccc4)ncnc3c2c2c1CCC2 2417012 WCZAKZWFMMSNIS-UHFFFAOYSA-N 432.593 5.070 0 40 IKAB CCCCc1nc2sc3c(SCCN(C)C)nc(SC)nc3c2c2c1CCC2 2441862 BNBDVZOPKKHIDX-UHFFFAOYSA-N 432.684 5.446 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc3[nH]c4c(c3c2)C[C@@H](C)CC4)c(C)n1Cc1ccco1 2647971 GQOBCCUOCQEWGN-INIZCTEOSA-N 444.531 5.392 0 40 IKAB O=C(Nc1nnc(SCc2c(Cl)cccc2Cl)s1)c1ccc2ccccc2n1 2652581 OVDNBJKICGDCGY-UHFFFAOYSA-N 447.372 5.938 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)c(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 2733587 ASDLUILCBGYYMJ-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB CCc1nc2ccccc2c(C(=O)OCC(=O)N(CC)c2cccc3ccccc23)c1C 3246822 YSXLJGGNXICHPC-UHFFFAOYSA-N 426.516 5.469 0 40 IKAB COc1ccc(-c2nn(CN(C)C3CCCCC3)c(=S)n2CCc2ccccc2)cc1 3268984 JOZBBZMNQLLJEX-UHFFFAOYSA-N 436.625 5.554 0 40 IKAB COc1ccc(CN[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1OC 3291419 CGMWPNWPRYIIOC-QFIPXVFZSA-N 445.346 5.480 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@H]1CC4 4082225 MCSMMGJCXCBSKD-SVBFOJLMSA-N 426.729 8.313 0 40 IKAB biogenic,in-vitro Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@@H](C)c3ccc(CC(C)C)cc3)c2)c1 8452533 BHHMHUNBGIGFPH-SFHVURJKSA-N 449.982 6.236 0 40 IKAB COc1cccc(C(=O)Nc2ccccc2SCc2cc(=O)c3cccc(C)c3[nH]2)c1 8617327 YUVPXZJJOVSRLQ-UHFFFAOYSA-N 430.529 5.390 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(Cl)c3)cs2)cc1 8852882 YVKNCKHCFBGLDK-UHFFFAOYSA-N 431.970 5.017 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@](=O)Cc1cccc(C(F)(F)F)c1 8857030 DSQDJHDSILHETH-HKBQPEDESA-N 442.458 6.132 0 40 IKAB O=C(C1=Cc2cc(Cl)ccc2OC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 8943561 BABXTPYGKVETEZ-UHFFFAOYSA-N 442.302 5.010 0 40 IKAB Clc1ccccc1[C@@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3ccco3)=NN21 9008324 FXDJARUSHYGKCE-PXNSSMCTSA-N 429.701 5.938 0 40 IKAB Cc1ccccc1-n1cnnc1SCC(=O)N[C@@H](C)c1ccc(-c2ccccc2)cc1 9111739 MHRBBLQVVUKXOJ-IBGZPJMESA-N 428.561 5.212 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 9114023 GWSQTMKXKRNSQO-OFVILXPXSA-N 431.536 5.064 0 40 IKAB CC(=O)Nc1ccc(-c2csc(N3N=C(c4cccs4)C[C@@H]3c3ccco3)n2)cc1 9119863 RWPLDFXDKPDUBM-LJQANCHMSA-N 434.546 5.779 0 40 IKAB Cc1ccc(OCCOc2ccc(C)c(C)c2)c(/C=C2/N=C(c3ccccc3)OC2=O)c1 9246283 BOOKLZXQCLAXGB-JJIBRWJFSA-N 427.500 5.414 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2)[C@H](c2ccc(Br)cc2)C1 9435907 DLAKRFSCHHTMIG-NRFANRHFSA-N 435.321 5.449 0 40 IKAB O=C(CCCc1nc2ccccc2s1)Nc1nnc(SCc2ccc(F)cc2)s1 9491487 UEVKFSVNAQOKRF-UHFFFAOYSA-N 444.582 5.541 0 40 IKAB COc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2Cc2ccco2)c1 9497465 KHYURDPFFWNAIM-UHFFFAOYSA-N 446.359 6.194 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1C1CCCCC1)C(=O)Nc1ccc(F)cc1 9509298 WNWHWEIWCYSSCK-OAHLLOKOSA-N 425.529 5.160 0 40 IKAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 9713844 KZJWXCCCJZRGEP-UHFFFAOYSA-N 425.463 5.185 0 40 IKAB Cc1nc2cc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3)ccc2n1-c1ccccc1 10547953 RHCBVCWUAMMDQH-UHFFFAOYSA-N 436.471 5.432 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 10674448 TXYPYNGRNAXCKE-UHFFFAOYSA-N 445.588 5.935 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCC3)N(Cc1ccccc1)c1ccc(F)cc1 12469634 IKKUYEYBHJSSMR-UHFFFAOYSA-N 449.576 5.645 0 40 IKAB CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cccc(C)c2)c2c(C)oc(C)c12 12658935 ILNUNXQXTHKJTB-XAYXJRQQSA-N 429.516 6.370 0 40 IKAB biogenic Fc1ccc(Oc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c(F)c1 12759778 IIZWPKVIKFZZDD-UHFFFAOYSA-N 445.516 5.323 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn12 12958657 HOFGDMUAMSDISF-UHFFFAOYSA-N 448.684 7.104 0 40 IKAB O=[S@@](Cc1cc(Sc2ccccc2)nc(-c2ccccn2)n1)c1ccc(Cl)cc1 12960457 IHVCLHVDRWKELJ-GDLZYMKVSA-N 437.977 5.651 0 40 IKAB CCOC(=O)c1sc2cccc(F)c2c1CSc1nnc(Cc2ccccc2)o1 12983079 ZPKGDKWGAQZFGH-UHFFFAOYSA-N 428.510 5.483 0 40 IKAB CC(C)c1ccc(N2C[C@H](c3nc(-c4ccc(Br)cc4)no3)CC2=O)cc1 13037028 IMEWADXYDRYSFQ-MRXNPFEDSA-N 426.314 5.143 0 40 IKAB CCCC1=C(C(=O)OC)[C@@H](c2ccccc2C(F)(F)F)NC(=S)N1c1ccccc1 13097819 MDPLDNXMWCXWLT-LJQANCHMSA-N 434.483 5.368 0 40 IKAB Cc1ccccc1[C@H](C(=O)NC1CCCC1)N(Cc1ccco1)C(=O)Cc1cccs1 13498217 AUPRRYMASNKLOI-XMMPIXPASA-N 436.577 5.021 0 40 IKAB Cc1cc2c(N)c(C(=O)OCC(=O)c3ccccc3Cl)sc2cc1-c1ccccc1 13575991 JSDQEXFVEUCAIA-UHFFFAOYSA-N 435.932 6.152 0 40 IKAB CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nnc1[C@@H](C)Oc1ccccc1Cl 13870941 MVALLPFZYDDABR-HZPDHXFCSA-N 444.988 5.061 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(Cl)cc3)[nH]c3ccccc23)N1c1ccccc1 13942375 HCRVNLGCAGIHPX-HHHXNRCGSA-N 434.926 7.238 0 40 IKAB O=S(=O)(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccc(Br)cc1 14257274 ILIPUTVKNZRMPU-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1sc2cc(F)ccc2c1Cl 14802287 XTQFSCIDVGWGEJ-UHFFFAOYSA-N 426.904 5.490 0 40 IKAB O=C(CSc1nc2ncc(Br)cc2[nH]1)Nc1ccccc1-c1ccccc1 15890492 NPMYMGAFPSAVGI-UHFFFAOYSA-N 439.338 5.118 0 40 IKAB CCOC(=O)c1c(NC(=O)COC(=O)C2CCCCC2)sc(C)c1-c1ccc(C)cc1 15979745 JNLKHDCDUNQATN-UHFFFAOYSA-N 443.565 5.271 0 40 IKAB COc1ccc(-c2nnc(-c3cccc(-c4nnc(-c5ccc(OC)cc5)o4)c3)o2)cc1 16217519 QQGRNICGFBIRNA-UHFFFAOYSA-N 426.432 5.138 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccccc3OCc3ccccc3Cl)C(=O)O2)cc1 16323181 BIFVYZFHJIFDNW-KQWNVCNZSA-N 445.946 6.561 0 40 IKAB O=c1oc2ccccc2cc1C1=NN(c2ccccc2)[C@H](c2c(Cl)cccc2Cl)C1 16488732 SIGDPCABXDNEFD-NRFANRHFSA-N 435.310 6.456 0 40 IKAB CCCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@H]2CCCO2)c1 16751016 JTDXGCUSUDERQT-HYBUGGRVSA-N 447.531 5.086 0 40 IKAB CCOc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=NCCCCC2)cc1 16769728 PKWXCUXEBQZYPX-UHFFFAOYSA-N 429.358 5.510 0 40 IKAB CCC(=O)Nc1sc2c(c1-c1nc3ccccc3s1)CCN(Cc1ccccc1)C2 16837197 ZUKSCUBIYVYPOI-UHFFFAOYSA-N 433.602 5.932 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)ccc3o2)c(C)c1 17099273 NMQJWTDYZSBQHP-UHFFFAOYSA-N 434.923 6.561 0 40 IKAB CCCn1c(SCc2nc(-c3ccc(OCC)cc3)oc2C)nc2ccccc2c1=O 17287326 OLDTYBAWXZKSPE-UHFFFAOYSA-N 435.549 5.461 0 40 IKAB Cc1cccc(CN2CCC[C@](O)(c3nc(C)c(CCOc4ccccc4)s3)CC2)c1 19738686 MNWPCSXQDYHAME-AREMUKBSSA-N 436.621 5.255 0 40 IKAB CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(NCc3ccc(F)cc3)c2c1 20382470 MUNTXHMUEPXKQR-UHFFFAOYSA-N 436.508 5.218 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(CN4CCCC4)cc3)c2)cc1 20457479 BDRXNQYBLSQNCV-UHFFFAOYSA-N 440.587 6.063 0 40 IKAB O=C(Nc1c(-c2ccccc2)nc2sccn12)C1CCN(c2nc3ccccc3o2)CC1 21447010 HGKBMAJWHBHPMD-UHFFFAOYSA-N 443.532 5.059 0 40 IKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccccc2Cl)cc1OCC 22072378 MQYCYSZSPWOEFA-UHFFFAOYSA-N 439.943 5.439 0 40 IKAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 22533972 GCFKZSYLXSDEPJ-KRWDZBQOSA-N 434.511 5.782 0 40 IKAB CC1CCN([C@H](c2ccc(Cl)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1 22851940 RFNNLZARZYSIMH-QGZVFWFLSA-N 428.945 5.231 0 40 IKAB Cc1ccccc1/N=c1\oc2ccc(Br)cc2cc1-c1nc2ccccc2[nH]1 27520969 UTTLFKJVLDIHCS-VYIQYICTSA-N 430.305 6.279 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1nc(SCc2ccccc2)ncc1Br 27662401 CUZIQQGURHLMNF-UHFFFAOYSA-N 434.746 5.437 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1cc(-c2cccs2)on1 27994794 WFIFSUYBEZEPQK-UHFFFAOYSA-N 447.447 5.793 0 40 IKAB C=Cc1ccc(CSc2nnc3n(Cc4ccc(F)cc4)c(=O)c4ccccc4n23)cc1 32985519 MZMMXMWZLHFJIZ-UHFFFAOYSA-N 442.519 5.167 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3cccs3)cc2s1)Nc1ccccc1 33000383 FOXAURXSZPBGFQ-UHFFFAOYSA-N 425.560 5.341 0 40 IKAB CC(C)[C@H]1CC[C@H](C)c2c1nn(C(=O)/C=C/c1ccccc1)c2-c1cccc2ccccc12 36055701 ZHYCDPOQKOCTHY-SXLMQBLVSA-N 434.583 7.694 0 40 IKAB C[C@@H]1C(=O)[C@@H](C)[C@@H](c2cccc(Br)c2)N[C@@H]1c1cccc(Br)c1 36075333 QLAGUGWBFPPFDV-BMEPFDOTSA-N 437.175 5.439 0 40 IKAB CCn1nc(C)c2c(C(=O)N[C@H](C)c3ccc(C)cc3C)cc(-c3ccc(C)cc3)nc21 36613282 OIWIHZVAMLOJPU-LJQANCHMSA-N 426.564 5.843 0 40 IKAB O=C(Nc1ccc(-c2ccc(C(=O)O)cc2)cc1)OCC1c2ccccc2-c2ccccc21 44563545 VJFQPUGJSBVHPD-UHFFFAOYSA-N 435.479 6.413 0 40 IKAB COc1cc(CNC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1OC(C)C 44899938 PFZLLWPWXDDETA-UHFFFAOYSA-N 444.575 5.365 0 40 IKAB O=C(Cc1cccs1)N(C[C@@H]1CCCO1)c1nc2ccc(OC(F)(F)F)cc2s1 56907168 HJMHUDALFAUIQJ-ZDUSSCGKSA-N 442.484 5.011 0 40 IKAB Cc1ccc2c(NC(=S)NC(=O)c3ccc(OCc4ccccc4)cc3)cccc2n1 57315614 OUZLUNZCLKALRH-UHFFFAOYSA-N 427.529 5.249 0 40 IKAB O=C(CSc1nc(NC(=O)c2ccccc2)c(-c2ccccc2)o1)c1ccc(Cl)cc1 72238667 VUOJXUQZHYEVBJ-UHFFFAOYSA-N 448.931 6.222 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3nccnc3-c3cccc(Cl)c3)C2)cc1 72358802 IQAOFABYUOYOIS-HXUWFJFHSA-N 435.955 5.144 0 40 IKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccccc1Br)c1nc3ccccc3nc12 100769049 ANFFCZSIBRJIPI-DHIUTWEWSA-N 436.353 5.360 0 40 IKAB COc1ccc(OC)c([C@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)c1 102719292 URSKXRRSLLNFJN-IQMFZBJNSA-N 432.476 5.314 0 40 IKAB CCOc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106684370 ZAGVGGXCCYCGMN-YVLHZVERSA-N 438.332 5.637 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@]4(C)[C@@H](OC(=O)C5CCCCC5)CC[C@H]4[C@@H]3CC[C@@H]2C1 118932264 UCQQTYPFMHIJRO-ASGJTQNMSA-N 444.656 6.453 0 40 IKAB CCOC(=O)c1cn(Cc2cccc(Cl)c2)c2cc(C(F)(F)F)c(F)cc2c1=O 199731282 IAYSUJXUXRTNHM-UHFFFAOYSA-N 427.781 5.038 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1 216373459 FSZFPYMDRWQFMQ-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)cc1Cl 219846229 VRJJVPVYKLDFJB-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCc1ccccc1Cl 222488197 CJKZXJUNTPAXHQ-MBSDFSHPSA-N 445.003 5.003 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(C)cc1 223486474 MYUJKHCNCPQMPR-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(Cl)cc1 224049984 GDLFQPYCPOCALL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(-c3nccs3)c2C)c1 224226627 PXRBXTHPNXPVLK-FGZHOGPDSA-N 445.617 5.431 0 40 IKAB CCN(c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1)S(=O)(=O)c1ccccc1 224361399 UJRAUGMYKLWEDM-UHFFFAOYSA-N 448.466 5.173 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224658792 KZZIJDTWMGUGHT-JOCHJYFZSA-N 428.576 5.152 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)N[C@@H](C)c3ccccc3)o2)c(OC)c1 224930476 UPOPDKZHDPOBPS-KRWDZBQOSA-N 428.488 5.517 0 40 IKAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC)c(Cl)c2)c1C 224955485 BMWKUBVQKBHMBR-FGZHOGPDSA-N 441.000 5.359 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 224976648 KYEMHKXSASRCEH-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSc1ccc(C)cc1 225495708 MTRVWCUUZASONO-URXFXBBRSA-N 440.653 5.508 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225642764 SQQKDWOIYDRXEP-KRWDZBQOSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(C)c1 225723157 SVGGSXVGFJCQSV-VGOFRKELSA-N 449.422 5.566 0 40 IKAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 225810809 XFJYBOFIHISQRG-UHFFFAOYSA-N 429.482 6.191 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(F)cc2Cl)c(OC)c1 226336745 LQLZKCYTHJNFTB-QPJJXVBHSA-N 443.696 5.406 0 40 IKAB O=C(N1CCC(Cc2cccc3ncccc23)CC1)C1(Cc2ccccc2)CCOCC1 257275669 NQJPOBIVGRYQDK-UHFFFAOYSA-N 428.576 5.055 0 40 IKAB CC(C)CC(=O)N[C@]1(C)C[C@H](c2ccc(N3CCCC3=O)cc2)O[C@@H]2C[C@H](C)CC[C@H]21 257305072 SOIABPDYLKXVFQ-BQVKLXRGSA-N 426.601 5.001 0 40 IKAB O=C(Nc1cccc(N[N+](=O)c2cccc(NC(=O)c3ccccc3)c2)c1)c1ccccc1 368085316 UTFHTWGNFYQSMT-UHFFFAOYSA-O 437.479 5.629 0 40 IKAB COc1ccc(Cl)cc1/C=C1\S[C](Nc2ccccc2)N([C@@H]2CCCC[C@@H]2C)C1=O 408805550 GPEJQIJMGMNRFS-BGFDVPSISA-N 442.004 6.403 0 40 IKAB COc1ccc2c(c1)CCc1sc(Nc3ccc(I)cc3)nc1-2 408886586 KPNGHOTYPKDLFS-UHFFFAOYSA-N 434.302 5.266 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 409106921 PDROCHHNUBYAQT-WOJBJXKFSA-N 448.636 5.302 0 40 IKAB CCN1C(=O)N/C(=C/c2cc(Cl)c(OCc3ccc4ccccc4c3)c(Cl)c2)C1=O 409251306 UUUGZGZEOMXNME-UDWIEESQSA-N 441.314 5.638 0 40 IKAB O=C1C[C@H](c2ccc3ncccc3c2)c2c(cc(O)c3c(=O)c(-c4ccccc4)coc23)O1 524730125 WTIPLJORJPPRHV-GOSISDBHSA-N 435.435 5.155 0 40 IKAB biogenic COc1ccc(CNCCC2(c3ccc(F)cc3)C[C@H](C(C)C)O[C@@H](C(C)C)C2)cc1 524733755 NIMPBDJZPIXJPN-CLJLJLNGSA-N 427.604 6.112 0 40 IKAB CC(C)c1ccc2c(c1)Cc1cccc(c1)CN(C(=O)c1ccccc1F)CCOCCO2 643565151 UBPVUOFRLVTVDM-UHFFFAOYSA-N 447.550 5.591 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4cccs4)c3c2N)cc1 754058 OGPOXTCGWWSIOM-UHFFFAOYSA-N 448.594 6.575 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2cccc(Cl)c2)c1C 871952 TWLQTWOAHUXOBE-UHFFFAOYSA-N 446.887 5.140 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)F)n3ncc(C(=O)Nc4cc(Cl)ccc4C)c3N2)cc1 900441 WILAECQAKXQKFQ-MOPGFXCFSA-N 430.886 5.769 0 40 IKAB COc1ccccc1[C@@H]1C(C(=O)Nc2ccc(C)cc2C)=C(C)Nc2nc3ccccc3n21 1069411 VAVTUCGHBGLNHF-RUZDIDTESA-N 438.531 5.589 0 40 IKAB Cc1cccc2sc(NC(=O)c3ccc(COc4cc(Cl)ccc4Cl)o3)nc12 1083393 QDBKLYWKIOQZPY-UHFFFAOYSA-N 433.316 6.336 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2cc1C 1371162 HMSBHXDHWNFTDE-UHFFFAOYSA-N 435.911 5.626 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1371543 VUMKCULSVCTMEA-NRFANRHFSA-N 439.943 5.011 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2N1C(=O)c1ccccc1 1381849 KCUGNNIYQPFGOV-HNNXBMFYSA-N 425.315 5.576 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 1986272 GIUZZSWHUWBJFR-PKNBQFBNSA-N 446.355 6.551 0 40 IKAB O=C1c2ccccc2N[C@H](c2ccc(Br)cc2)N1Cc1ccc(Cl)cc1 2251019 VIMKROIOOBRTGF-FQEVSTJZSA-N 427.729 5.869 0 40 IKAB CN(C(=O)c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)C1CCCCC1 2301967 YOAAQGYVTZAEBG-JKSUJKDBSA-N 440.897 5.602 0 40 IKAB CC(C)c1ccc([C@@H]2CC(=O)c3cnc(NC(=O)c4cccc5ccccc45)nc3C2)cc1 2400695 MZGVQGDTZMCBSS-NRFANRHFSA-N 435.527 5.918 0 40 IKAB CCOc1ccc([C@H](c2cc(CC)sc2NC(=O)c2ccccc2)N2CCCCC2)cc1 2551823 AJIBXAQCZZSLDK-RUZDIDTESA-N 448.632 6.537 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2cc(C)c(C)cc2C)n1Cc1ccco1 3345718 MTPCXCGCAHQNKH-UHFFFAOYSA-N 447.560 5.495 0 40 IKAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1cc(C(=O)Oc2ccccc2)ccc1Cl 3551511 RYZZGWKDHAGLID-UHFFFAOYSA-N 436.316 5.038 0 40 IKAB CCOC(=O)[C@H](CC)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OC)cc1 3658751 VEXMCQRNBYPIOQ-NRFANRHFSA-N 447.560 5.530 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(C)cc23)cc1 6601136 KPSVTWCDZDHNTA-UHFFFAOYSA-N 429.545 5.735 0 40 IKAB O=C(Nc1ccc2sc(-c3ccc(Cl)cc3)nc2c1)c1ccc(Cl)cc1Cl 8386412 ARAUAXAKYIRIMC-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB Cc1ccc2nc(COc3cccc(NC(=O)Nc4ccc(C)c(Cl)c4)c3)cc(=O)n2c1 8619644 FXONTKVKHHSKRG-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB COc1ccc(CCC(=O)N(C)[C@H](C)c2ccc(-n3cnc4ccccc43)cc2)cc1OC 8720495 PYXCUWMPDLJHMU-LJQANCHMSA-N 443.547 5.195 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc1C 8836421 NMWOIDARSDFWKM-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB CCN(Cc1nc(-c2ccc(OC)cc2)no1)C(=O)Cc1ccc(-c2ccccc2)cc1 9095304 MJJSJQHQHGQPFI-UHFFFAOYSA-N 427.504 5.003 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)COc4ccccc4C)cc3n2)cc1 9226576 KLYSGXANANXZFY-UHFFFAOYSA-N 448.954 5.742 0 40 IKAB CC(C)Cn1c(CCc2ccccc2)nnc1SCC(=O)Nc1ccccc1Cl 9296376 HGAKEXZABWIDIG-UHFFFAOYSA-N 428.989 5.104 0 40 IKAB CC[C@H](C)Sc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 9382904 RXIQPRGEBDUGCM-ZDUSSCGKSA-N 430.986 5.236 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccnc2)N1c1nc2ccc(Cl)cc2s1 9581022 CBNPNQZKMLIOKZ-IBGZPJMESA-N 445.887 5.201 0 40 IKAB Cc1ccc(N2C(=O)c3[nH]nc(-c4ccc(Br)cc4)c3[C@@H]2c2ccco2)cc1 9679202 RBVJWXWELFQXNQ-NRFANRHFSA-N 434.293 5.490 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1cccc(OCc2ccccc2)c1 9805828 RYWBPKDCELKXEH-UHFFFAOYSA-N 445.566 6.945 0 40 IKAB COc1cccc(OCC(=O)Nc2c(C(=O)Nc3ccc(C)cc3)oc3ccccc23)c1 9959281 LHICYZMOVXOLGE-UHFFFAOYSA-N 430.460 5.020 0 40 IKAB O=C(c1cn(Cc2ccccc2)c2ccccc12)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 10546699 IZSGIYOIVIIOCP-OAQYLSRUSA-N 434.543 5.586 0 40 IKAB Fc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@H]2CC(c3cccs3)=NN21 12312111 OTTUGFPKVIDRRO-YLJYHZDGSA-N 429.314 5.892 0 40 IKAB CC(C)c1ccc(Nc2nn(CN3CCN(c4ccccc4F)CC3)c(=S)s2)cc1 12649824 JLRGELZICKZYSQ-UHFFFAOYSA-N 443.617 5.460 0 40 IKAB Cc1c(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3c(=O)[nH]2)sc2ccccc12 13005402 QPLVMEQMYJOQAB-UHFFFAOYSA-N 439.540 5.289 0 40 IKAB Cc1cc(-c2csc(NC(=O)c3ccc4ccccc4c3)n2)c(C)n1C[C@@H]1CCCO1 13039567 CQWYBPBIYDJPPF-NRFANRHFSA-N 431.561 5.813 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc2c(c1)OCCO2 13114683 SZTAAXIJTVOUTL-MRXNPFEDSA-N 443.528 5.187 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCCN3CCCCC3)ccc12 13608976 CSHVEALXUCMAKG-UHFFFAOYSA-N 428.326 5.087 0 40 IKAB O=c1[nH]c(-c2cc(Cl)ccc2OCc2ccccc2F)nc2sc3c(c12)CCCC3 13943163 HOFISIZQZUNSPZ-UHFFFAOYSA-N 440.927 5.902 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1OC 14272140 TWWOTVPMAQETKV-UHFFFAOYSA-N 443.286 6.071 0 40 IKAB Cc1ccc(N2CC(=O)N(c3ccc(Cl)cc3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1 15413312 OUQZTNPTAASPMI-VWLOTQADSA-N 432.951 5.893 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 16895439 IJTYKXFPGLWESJ-AWEZNQCLSA-N 448.573 5.436 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1cccc(Br)c1 17101675 CXZDVSPBOREOHR-UHFFFAOYSA-N 437.668 5.248 0 40 IKAB CCCn1c(NC(=O)c2cnn3c(C(F)F)cc(-c4ccccc4)nc23)nc2ccccc21 19644449 BZRHZGQWYVCTAV-UHFFFAOYSA-N 446.461 5.346 0 40 IKAB Cc1ccc(C(=O)Nc2nc(-c3ccccc3)c(-c3ccc(-c4ccccc4)cc3)s2)cc1 19894504 DZPKMBXSXVIGNN-UHFFFAOYSA-N 446.575 7.705 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl 20487642 AINNORDNJHMGLL-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3cccs3)c2)cc1Br 24031014 POFUCFSYACGVJQ-UHFFFAOYSA-N 431.311 5.024 0 40 IKAB C[C@@H]1CCN(C(=O)c2ccc3c(=O)n4c(nc3c2)CCCCCC4)c2ccccc2S1 24585747 GFBAXEFHQNGGIL-QGZVFWFLSA-N 433.577 5.044 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F 26496331 UUWMUCVFFZGBSE-SFHVURJKSA-N 438.833 5.184 0 40 IKAB CCN(C(=O)COc1ccc(C(C)C)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993170 GUDDZGJONMQALW-GDLZYMKVSA-N 440.587 6.617 0 40 IKAB O=C(COc1c(Cl)cc(Cl)cc1Cl)Nc1cnn(Cc2ccc(F)cc2)c1 28225210 AOGNIFMHZBVHAF-UHFFFAOYSA-N 428.678 5.048 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2oc(-c3cc(F)c(F)cc3Cl)nc2c1 32115556 SUWNLISFPHGTGS-UHFFFAOYSA-N 449.240 6.097 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3cc4ccccc4cc3OC)sc2c1 32118950 BSGBSCTWOKRIJL-UHFFFAOYSA-N 449.601 5.928 0 40 IKAB CC[C@@H]1CCCCN1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccc(Cl)cc1)N2 36048444 DQGDTCJGHWXRNJ-JFIYKMOQSA-N 440.897 5.602 0 40 IKAB O=C(N[C@H](CCSCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21 38528872 ASWSJAABSXCHBY-XMMPIXPASA-N 447.556 5.302 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C1=O 39857486 SIEUNMDLRYRDSL-HAHDFKILSA-N 431.513 5.824 0 40 IKAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2SCc1ccc(Cl)cc1Cl 41105024 NPDHQWCXXWAISB-QGZVFWFLSA-N 425.381 5.269 0 40 IKAB CCCOc1ccccc1CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 44851595 PYDYDXCNUIHWJR-UHFFFAOYSA-N 429.004 5.090 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(F)cc1 59418133 SLBGGRCGRIVFHC-HZHRSRAPSA-N 449.503 6.044 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@@H]2CCCN(C(=O)c3n[nH]c4c3CCCC4)C2)n1 72354022 QEOBJNQSMOYGOO-HXUWFJFHSA-N 448.998 5.256 0 40 IKAB Cc1ccc(NC(=O)[C@H](C)OC(=O)C23C[C@@H]4C[C@@H](C2)CC(c2ccc(C)c(C)c2)(C4)C3)cc1 104347997 CUHIOSOWUYTHKY-XHBNTBLTSA-N 445.603 6.020 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccc(F)cc4)C3=O)o2)cc1 106690232 JBOXLHAPNXXCIL-UNOMPAQXSA-N 425.506 6.115 0 40 IKAB COc1cc(CNc2ccc(Cl)c(Cl)c2)cc(Cl)c1OCc1ccccc1F 107042454 LQUUQEMUAHXCCT-UHFFFAOYSA-N 440.729 6.986 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccccc2)cc1 107927787 OCIUNOOIMHKJLS-UHFFFAOYSA-N 440.341 6.128 0 40 IKAB CCCO[C@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118928217 BBQNHGBERIULCP-AGBLQDLRSA-N 428.745 8.823 0 40 IKAB O=S(=O)(/C=C/c1ccccc1)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208006359 ZSWNUHITHULNPW-WYMLVPIESA-N 434.546 5.361 0 40 IKAB CC(C)n1c(Cl)nc2cc(C(=O)NCc3ccc(-c4ccc(Cl)cc4)o3)ccc21 222555070 ZKVOWAYDFPEHHD-UHFFFAOYSA-N 428.319 6.114 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 223096288 FYLHQTLHETWWOT-IBGZPJMESA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 223321586 UXDNNQIXORMLRP-SFHVURJKSA-N 449.422 5.486 0 40 IKAB Cc1cc(C)c([C@H](C)NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccccc3)c2)cc1C 223436927 OCWHPGJHGAAGCS-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1 223758118 UKLODNDLLIFWLC-NRFANRHFSA-N 438.637 5.013 0 40 IKAB CC(C)c1ccc(CNC(=O)c2cc(NS(=O)(=O)c3ccccc3)ccc2Cl)cc1 224103358 WDLKBTVXSWWLSN-UHFFFAOYSA-N 442.968 5.194 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c(C)n1C(C)C 224364535 PEUVQORQFMMQSW-JWQCQUIFSA-N 432.637 6.381 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COCc1ccccc1 224460146 BHLFTAZWPDLURC-UHFFFAOYSA-N 426.310 5.427 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224664545 KEYRYPFUMOPZEU-QFIPXVFZSA-N 448.651 5.783 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225132103 NZHIQFIBHOXKIF-SJORKVTESA-N 435.395 5.176 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 225558740 XZARCDJCSNNHAS-QPPBQGQZSA-N 440.653 5.508 0 40 IKAB Cc1ccc(SCCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225587525 CKBYSROBNJVMFE-UHFFFAOYSA-N 438.687 6.756 0 40 IKAB O=C(CCc1nc(-c2cccc3ccccc23)no1)N(Cc1ccccc1)Cc1ccccc1 225829270 ANWZIUXKONGOIB-UHFFFAOYSA-N 447.538 6.051 0 40 IKAB COc1ccc(-c2nc3cc(N4Cc5ccccc5C4=O)ccc3o2)cc1Br 226286713 PXPWKMMBCUVQKS-UHFFFAOYSA-N 435.277 5.426 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@H]4CC=C(I)[C@]4(C)CC[C@H]32)C1 256447589 OFYWDQNTPMUZEH-HJRPSSTNSA-N 440.365 5.810 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2c(C(=O)NC(C)C)sc3ccccc23)C1 257302162 SBTJZDXBGIJWTH-LJQANCHMSA-N 438.641 5.423 0 40 IKAB O=C(c1ccccc1CN1CCCC1)N1[C@H]2CC[C@H]1CC(Cc1cccc3ccncc13)C2 257337383 YSOVXFUPNSNAJT-UIOOFZCWSA-N 439.603 5.457 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2C)cc1 408695358 QDEQQOGEQXXQSI-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2cccc(C)c2)cc1 408724902 MTXTZNMCCYEBHN-UHFFFAOYSA-N 446.348 6.171 0 40 IKAB CCCCOc1ccc(/C=C2\S[C](Nc3cc(C)ccc3OC)NC2=O)c2ccccc12 408797154 GKNXPUUHJNPMOO-UHFFFAOYSA-N 447.580 6.099 0 40 IKAB CCOC(=O)Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1OC 409001541 IZQWDBGRTRHTPN-UHFFFAOYSA-N 428.510 5.267 0 40 IKAB Cc1cc(I)cc(C)c1NC(=O)CSc1cccc2cccnc12 409005905 GZBYMOVNOFGYCV-UHFFFAOYSA-N 448.329 5.187 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1cccc(Cl)c1 409074203 KYRKCDIHCVXSTH-UDWIEESQSA-N 441.339 6.242 0 40 IKAB Cc1ccc(CN2CC[C@@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1C 1848351829 VLEMFHFZGRIQHO-JOCHJYFZSA-N 446.570 5.020 0 40 IKAB COc1ccc(NC(=O)c2cc3cccc(OC)c3o/c2=N\c2cc(C)ccc2C)cc1 633661 JOLDRZPMGLPBGB-SGEDCAFJSA-N 428.488 5.552 0 40 IKAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@@H](C)c4ccccc4)c3N2)c1 884232 LQVVRETYJPAIQE-PNHOKKKMSA-N 444.457 5.043 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(I)cc1)c1cccnc1 945468 BRVOVXOSVNOFFU-OAQYLSRUSA-N 439.300 5.677 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccccc3F)cc2c1 1327169 AOKPDIHLUYYHGG-UHFFFAOYSA-N 443.522 5.772 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)cc2c1 1371405 VUMKCULSVCTMEA-OAQYLSRUSA-N 439.943 5.011 0 40 IKAB Cc1cc(C)c(C(=O)N2CCC(c3cc(-c4cccc(C(F)(F)F)c4)[nH]n3)CC2)c(C)c1 1395417 IMVCVUWNPXMYAJ-UHFFFAOYSA-N 441.497 6.041 0 40 IKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 1448094 ZLAPWQVWGXEWRZ-UHFFFAOYSA-N 448.402 5.039 0 40 IKAB biogenic CCCC[C@@](O)(c1ccccc1)[C@@](O)(c1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1635368 HTVPDYDMQDWRDO-DNQXCXABSA-N 436.420 5.696 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC(C)C)CC[C@@H](C)C2 2084886 ZLQFXCQKGHDFSN-CYBMUJFWSA-N 435.973 5.417 0 40 IKAB CC(=O)O[C@H]1c2cc(C)ccc2N[C@H](c2ccccc2OCc2ccccc2F)C1(C)C 2138548 QDWIHOXVIOEMPL-FTJBHMTQSA-N 433.523 6.510 0 40 IKAB Cc1ccc(NC(=O)c2c(N)n(Cc3ccc(F)cc3)c3nc4ccccc4nc23)cc1C 2231659 WWASPRJMNMLSOZ-UHFFFAOYSA-N 439.494 5.223 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c(C(C)C)c1 2309736 DURSEDJZWOPEJK-UHFFFAOYSA-N 446.632 5.707 0 40 IKAB Cc1cc(C)cc(-n2c(N)c(C(=O)Nc3ccc(C)c(C)c3)c3nc4ccccc4nc32)c1 2320348 ZZTNKBFOMPWRRW-UHFFFAOYSA-N 435.531 5.642 0 40 IKAB C[C@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2643147 VUZOIAMLBAQQAD-SFHVURJKSA-N 441.449 5.480 0 40 IKAB CCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 2721800 IVGITQGMQSFNBI-UHFFFAOYSA-N 430.370 5.110 0 40 IKAB COC(=O)c1c(NC(=O)c2cc(-c3ccco3)nc3ccccc23)sc2c1CC[C@@H](C)C2 2738410 SXBMRKLUHULRMU-CQSZACIVSA-N 446.528 5.720 0 40 IKAB Cc1cc(C(=O)COC(=O)COc2ccc3ccccc3c2)c(C)n1Cc1cccs1 3317974 QUUYICVBVMSACZ-UHFFFAOYSA-N 433.529 5.173 0 40 IKAB CO[C@@H]1C=C2CC[C@H]3[C@H](CC[C@@]4(C)[C@@H]3CC[C@@]4(O)CSc3nccn3C)[C@@]2(C)CC1 3984164 BNOQCYMVNKKTQV-YRMVJGCMSA-N 430.658 5.221 0 40 IKAB biogenic Cc1sc(C(=O)O)c(-c2c(C(=O)O)sc(C)c2Br)c1Br 8431223 KUWSISQKEFVKHG-UHFFFAOYSA-N 440.134 5.015 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3C)CC2=O)cc1 8752260 SJBQKMVHDZQCFQ-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB Cc1ccc(OCCn2c([C@@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)cc1 8752722 DIZGOWSWFLZVSL-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2Cl)c(F)c1 8810369 YKOKRUIRNSJJCO-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB CCOc1ccc(-c2nnc(S[C@H](C)C(=O)Nc3ccccc3-c3ccccc3)o2)cc1 8965754 IJXVPBWCCGESFG-QGZVFWFLSA-N 445.544 5.922 0 40 IKAB Brc1ccc([C@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 9356960 RZJCTHGSILXXSP-NEHNOQQPSA-N 433.349 6.843 0 40 IKAB Cn1c(SCC(=O)N(Cc2ccccc2)C(C)(C)C)nnc1-c1ccc(Cl)cc1 9540354 JGUSRGNOVPOUMH-UHFFFAOYSA-N 428.989 5.055 0 40 IKAB Cc1cccc2sc(N(CCN(C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12 9603912 FMBPYCNAGHJNGP-UHFFFAOYSA-N 443.572 5.044 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C)[C@@H]2c2ccccc2OC)cc1 9865025 GYQFSFXRYWUVOL-GJZUVCINSA-N 444.531 5.135 0 40 IKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3Br)n[nH]2)c(C)c1 9949008 BVMAVDHNFJXWPV-CQSZACIVSA-N 445.386 5.279 0 40 IKAB COc1ccc2sc(Nc3nc(-c4ccccc4)c(C(=O)c4ccccc4)s3)nc2c1 10068937 JLJVPHQTGSFPTO-UHFFFAOYSA-N 443.553 6.403 0 40 IKAB COc1ccc(-c2cc(CNC(=O)C3(c4ccc(Cl)cc4)CCCC3)no2)cc1OC 12638947 BQYYMYAQTRFDRQ-UHFFFAOYSA-N 440.927 5.140 0 40 IKAB CC[C@@H](Sc1nnc(-c2sc3ccccc3c2Cl)o1)C(=O)Nc1ccc(F)cc1 12722890 WUCBWSYGEMCAOG-CQSZACIVSA-N 447.944 6.253 0 40 IKAB CCc1ccc(C(=O)[C@H](C)Sc2nnc(-c3cccnc3)n2Cc2ccccc2)cc1 12780577 DWDRXCPZZYKJTK-SFHVURJKSA-N 428.561 5.314 0 40 IKAB Cc1ccc(/C=C/c2nc(S[C@@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)n[nH]2)o1 12840034 VEEAQBCYXDVZQS-VNDWYCCKSA-N 437.550 5.119 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)Nc4ccc(Cl)cc4Cl)CC3)c2c1C 12852994 MULNHNZVVUVXPD-UHFFFAOYSA-N 435.380 5.470 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1OCc1csc(COc2ccc(F)cc2)n1 12861296 KWHUSIDZMIXYOU-UHFFFAOYSA-N 434.492 5.693 0 40 IKAB Cc1cccc(CCN(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 13026948 KNEBWPZAFURYFX-VWLOTQADSA-N 430.548 5.073 0 40 IKAB CCc1ccccc1N(C(=O)Cc1cccs1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13498404 FVLZTBKUKSDLIB-SANMLTNESA-N 446.616 5.686 0 40 IKAB CC[C@H]1[C@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(Br)cc1 13583112 AKDYSUBBXLTFJI-OZWPHOJSSA-N 449.392 6.677 0 40 IKAB O=C(c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1)N1CCCc2ccccc21 13669765 RVYGYGCXWYNAFW-HHHXNRCGSA-N 442.584 5.096 0 40 IKAB Cc1cc(O)c(C2=Nc3cc(C(F)(F)F)ccc3S[C@@H](c3ccc(F)cc3)C2)c(=O)o1 13739391 UYXSPWWHPXLNCC-LJQANCHMSA-N 449.425 6.170 0 40 IKAB CC(=O)c1sc(NC(=O)c2cccnc2Sc2ccccc2)nc1-c1ccccc1 14658002 YJVNLMBFTUUWDN-UHFFFAOYSA-N 431.542 5.811 0 40 IKAB Cc1nc(COc2cccc(/C=C/C(=O)N[C@H](C)c3cccc(C(F)(F)F)c3)c2)cs1 14778832 OQXKRZVVKDCLBT-BOLDSZDNSA-N 446.494 5.940 0 40 IKAB Cc1c(NC(=O)COc2ccc(Br)cc2)cccc1-c1nc2ccccc2[nH]1 16250080 NGVYCDKQSUQOJB-UHFFFAOYSA-N 436.309 5.318 0 40 IKAB CCCCCn1c(SCc2nc(-c3ccc(C)cc3)no2)nc2ccsc2c1=O 16843290 CKRRPTKVHHBLLR-UHFFFAOYSA-N 426.567 5.299 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2Cl)c(-c2ccccc2OC)c1Cl 17094292 STAGOKGPLPLVCL-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB C[C@@H]1CCCCN1c1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cc1 17096367 RBXZEGRSISTJDY-OAHLLOKOSA-N 429.347 6.885 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)NC(=S)NNc1ccccc1 17097823 AQZPDNNJRKHSJP-DHZHZOJOSA-N 432.332 5.284 0 40 IKAB Cc1ccc(NC(=O)c2c(C)c(-c3ccc(Cl)cc3Cl)nc3ccccc23)cc1C 17099437 XHBAOQCMQIWRNG-UHFFFAOYSA-N 435.354 7.386 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)C(c1ccccc1)c1ccccc1 17100192 YXJQLYWMKFGGMR-UHFFFAOYSA-N 436.490 5.639 0 40 IKAB C1=C(c2ccccc2)[C@H](O[C@H]2Oc3ccccc3C=C2c2ccccc2)Oc2ccccc21 17212604 YAKDOYHRLNCZJM-RNPORBBMSA-N 430.503 6.922 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 19081909 WQCKZFODFKODBS-ATIYNZHBSA-N 449.639 5.519 0 40 IKAB C/C(=C/c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 19236805 LXPNMDMFGKXEDV-YYVYEDLCSA-N 439.603 5.677 0 40 IKAB CC(C)CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19446639 NLOUZHBDVCTNBO-JPYJTQIMSA-N 434.411 5.504 0 40 IKAB CCc1ccccc1Nc1nc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)c2sccn12 19523092 OKLBKYQIJKCEGR-SFHVURJKSA-N 449.580 5.326 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc(C2CCN(C(=O)[C@H]3CC(=O)Nc4ccccc43)CC2)n1 19691229 NVQSLHIRJTTYGX-QHCPKHFHSA-N 443.522 5.028 0 40 IKAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3cccs3)no2)C2CCCC2)cc1 22257153 NWTFGVYMKHMECY-UHFFFAOYSA-N 431.583 5.055 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)c(C)c2)c2ccc(C)cc2C)cc1 22275375 BHFKXAPPMNVPDT-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)c1nc(N)nc(Nc2ccccc2)n1 25039663 SFRQEUPERBJNMF-CQSZACIVSA-N 447.568 5.398 0 40 IKAB CCOc1c(Cl)cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1Cl 27662845 NGQJBYVSXPGEBZ-UHFFFAOYSA-N 435.376 6.022 0 40 IKAB Cc1c(C(=O)NC[C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)oc2ccc(Cl)cc12 28291594 KTRSKWQUQAIAFE-QFIPXVFZSA-N 440.971 5.321 0 40 IKAB CCc1ccc([C@@H](NC(=O)[C@@H]2CCCN(C(=O)c3cccs3)C2)c2cccs2)cc1 29429429 WDPQPEZKAOCENX-DENIHFKCSA-N 438.618 5.130 0 40 IKAB Cc1nc(C)c(C(=O)N2CCN(Cc3ccc(-c4ccccc4Cl)s3)CC2)s1 32001034 RDHMRTLAWILSPY-UHFFFAOYSA-N 432.014 5.100 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccccc2)c1 32686128 OYJJSQQWYIKVAM-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cc(C)c2c(c1)-c1ccccc1S(=O)(=O)N2C 33272016 OXWASBLNSLBGNL-UHFFFAOYSA-N 426.925 5.015 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)cc1 33709419 ZUUDNFBUHCEQEL-UHFFFAOYSA-N 448.563 5.730 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2Cc1ccc(F)cc1 35400554 MJPRSSNCZSHSJG-UHFFFAOYSA-N 435.861 5.379 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C1CCN(Cc2ccc(Br)cc2)CC1 38849808 KMOUXDAVMJPSPI-UHFFFAOYSA-N 441.291 5.319 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1 44848590 AHHFTYXRQZFTCN-NQCZSQBNSA-N 433.979 6.793 0 40 IKAB Cc1nc(SCc2nc(-c3ccc(Cl)cc3)oc2C)nc(O)c1Cc1ccccc1 45924681 YTPMGNWGFSGSDK-UHFFFAOYSA-N 437.952 5.991 0 40 IKAB C[C@H]1CCCN(Cc2ccc(CNC(=O)CCCc3ncc(-c4ccccc4)o3)cc2)C1 48286726 HEBOOVWOUMFNKF-NRFANRHFSA-N 431.580 5.213 0 40 IKAB COc1ccc(NC(=O)N2CCC(Oc3nc4c(Cl)cccc4s3)CC2)c(OC)c1 49443132 PXZNVFGRXFPMNO-UHFFFAOYSA-N 447.944 5.042 0 40 IKAB O=c1cc(CN2CCN(c3cccc(Cl)c3)CC2)c2cc(O)c(-c3ccccc3)cc2o1 54105908 YWBRTMOQSYWZLU-UHFFFAOYSA-N 446.934 5.141 0 40 IKAB COc1cc(C)c(CNC(=O)Cn2c(-c3ccc(F)cc3)cc3cccnc32)cc1C(C)C 57773534 XWKVSMDCCCHZFU-UHFFFAOYSA-N 445.538 5.599 0 40 IKAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2scc(-c3ccc(Cl)cc3)c12 58160621 IQULCRXJCQEOFC-MRXNPFEDSA-N 427.982 5.704 0 40 IKAB COc1ccccc1Cn1c(SCc2ccc(C(C)(C)C)cc2)nc2ccccc2c1=O 67258425 BBRJGPAYHONRCN-UHFFFAOYSA-N 444.600 6.043 0 40 IKAB OCCCn1cc(CN2CCC[C@@H]2c2ccc(Nc3ccc(F)cn3)cn2)c2ccccc21 72353188 HETZVIQGCYTTBZ-RUZDIDTESA-N 445.542 5.034 0 40 IKAB CC(C)n1c2ccccc2c2c1cc(C(=O)NCc1ccc(F)c(F)c1)n2-c1ncccn1 96062680 NAYIFEHNIAMKJM-UHFFFAOYSA-N 445.473 5.164 0 40 IKAB Cc1ccccc1/N=c1/scc(-c2ccc(Br)cc2)n1-c1ccccc1C 100840981 ABZCQTWCNXGMMS-WJTDDFOZSA-N 435.390 6.818 0 40 IKAB Cc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N/C(=O)c2cc(C)oc2C)c1 102221363 KXYXDQYSSYRGLN-SOYKGTTHSA-N 434.879 5.598 0 40 IKAB CC1(C)C[C@H](NC(=O)COc2ccc3ccccc3c2Br)c2ccccc2O1 218906774 BMNRREDRSQFQSC-SFHVURJKSA-N 440.337 5.400 0 40 IKAB Cc1ccccc1CSCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222825471 STJSYAHJSNUCMQ-GOSISDBHSA-N 447.044 5.214 0 40 IKAB Cc1ccc(OCCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222848518 UFTXMIHPWVRMNJ-IBGZPJMESA-N 445.003 5.139 0 40 IKAB COCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2Cl)o1 223028419 VEZBEHLPTHJGQU-UXHICEINSA-N 448.375 5.267 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NCCC1=CCCCC1 223057927 RITHQBMFAQHXMY-SANMLTNESA-N 432.608 5.289 0 40 IKAB CCCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 223134194 OGJSRTKSWHYDLM-QHCPKHFHSA-N 429.004 5.242 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1cc(C)ccc1C 223348639 HSSMGNPENVFYIR-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223746466 IFOBVGUMZDHBNG-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB S=C(NCc1ccc(-c2ccc(Cl)cc2)o1)Nc1ccc(N2CCCCCC2)nc1 223917020 KVDNTXQVRHJIIX-UHFFFAOYSA-N 441.000 5.862 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3OC(C)C)cc2C)cc1 224000951 PHJFIUFWQQTJEL-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 224032048 BWSILUAYURMIGZ-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)(C)C)cc1)[C@H](C)C(=O)NCC(C)C 224129829 FBAVSEXJFVVGAQ-JOCHJYFZSA-N 436.640 5.415 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NCC(C)C 224142321 SQXQHPKCOLCDAS-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)/C(=C/c1ccco1)c1ccccc1 224537726 VRSZGVGFVUKZQH-HKOYGPOVSA-N 444.512 5.260 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 224635190 WMBIBVONGAVRKG-HHHXNRCGSA-N 448.651 5.651 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 224971975 WQPAWWLRVGSENI-QGZVFWFLSA-N 449.422 5.432 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225230544 HZAQWKZZJIUIKX-VQTJNVASSA-N 440.603 5.388 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCCC2)cc1)C1(c2ccccc2)CCOCC1 225561920 DJGGMADRIUEKHT-UHFFFAOYSA-N 436.596 5.018 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225635453 DVOZRPBUQBNMPX-YADARESESA-N 443.031 5.557 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2ccccc12 225752947 ZUSHAJFRPCJIKS-UHFFFAOYSA-N 428.359 6.996 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)COc1cccc(C(F)(F)F)c1)c1ccccc1 225811057 OTJQMHIXVIBMBP-MRXNPFEDSA-N 442.437 5.214 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)N1c2ccccc2Sc2ccc(Cl)cc21 226363571 CHHYIROYANQHBI-UHFFFAOYSA-N 436.747 7.099 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4ccnc(OC5CCOCC5)c4)cc3)sc2c1 253403356 PSOKRWKMQOXTJM-UHFFFAOYSA-N 445.544 5.477 0 40 IKAB CC(C)C(=O)N1Cc2ccccc2OC2(CCC(N(C)CC3CCCCCCC3)CC2)C1 257250439 JMNWEQUEOCBDRS-UHFFFAOYSA-N 440.672 6.037 0 40 IKAB COc1ccc2c(CN3CCC[C@@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)cn(C)c2c1 257269053 MOJUJYWNUJEASP-JOCHJYFZSA-N 443.566 5.691 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)o2)c1 257295584 QYZXNQPCIWALGP-HXUWFJFHSA-N 429.520 5.084 0 40 IKAB CCc1ccc(NCc2ccc(OCC(=O)Nc3cc(Cl)ccc3C)c(OC)c2)cc1 408554336 DHGALJLKQRBXPO-UHFFFAOYSA-N 438.955 5.849 0 40 IKAB Cc1ccc(Cl)cc1N(CC(=O)NC1CCCCCCC1)S(=O)(=O)c1ccccc1 408627433 MJAWUSHGKOHTKR-UHFFFAOYSA-N 449.016 5.073 0 40 IKAB O=C(O)/C(=C/c1cccc(OCc2ccc(Cl)cc2)c1)Sc1nc2ccccc2[nH]1 408632708 HJNFGQBNCQWBKI-BKUYFWCQSA-N 436.920 6.013 0 40 IKAB Cc1ccc(NC(=O)CCCC(=O)OCC(=O)Nc2cccc3ccccc23)cc1Cl 408666736 PBVKASAPWJDQRF-UHFFFAOYSA-N 438.911 5.092 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)cc1 408698634 OXPHJNYKOZWXTG-UHFFFAOYSA-N 436.874 5.296 0 40 IKAB Cc1ccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)cc1 408703160 DVSZQTMJONHJBW-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 408860679 BOPJYFHVCRNAPX-UHFFFAOYSA-N 433.983 5.219 0 40 IKAB O=C(CSc1nc(O)c2ccccc2n1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409179437 NLWSHIKPYQGAEC-UHFFFAOYSA-N 445.588 5.534 0 40 IKAB Fc1cccc(COc2ccc3ccccc3c2CNc2ccc(Br)cc2)c1 409194717 LPRSLOINQJPISN-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1-c1cc2cc(Cl)ccc2o1 409343875 DRZWFHCJJBTVOS-UHFFFAOYSA-N 426.929 5.404 0 40 IKAB CCOc1cccc(NC(=O)c2sc3nc(-c4ccc(OC)c(OC)c4)ccc3c2N)c1 661393 ASJYLHCZONMIBU-UHFFFAOYSA-N 449.532 5.214 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)c2C(=O)OC(C)C)cc1 674430 VBUWPUVFZHSCHR-DLBZAZTESA-N 429.538 5.118 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C 869068 ISZFVNMNZQOLBD-UHFFFAOYSA-N 444.585 5.712 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCc1ccccc1-2 884913 SNFQCECEXPQNSO-UHFFFAOYSA-N 443.494 5.554 0 40 IKAB O=C(Nc1ccccc1NC(=O)C1C2CC3CC(C2)CC1C3)C1C2CC3CC(C2)CC1C3 1267817 SSYONCBVUSJLFL-UHFFFAOYSA-N 432.608 5.708 0 40 IKAB Cc1cccc(C)c1NC(=O)N(Cc1cc2cccc(C)c2nc1Cl)C[C@@H]1CCCO1 1339438 PMNAOEVWEXYWQH-NRFANRHFSA-N 437.971 6.027 0 40 IKAB Cc1cccc(CCN(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)Nc2ccccc2)c1 1352858 GVKGEGBYCAEHNE-UHFFFAOYSA-N 425.532 5.422 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1cccc(F)c1)N(C(C)=O)c1ccccc1-2 2103999 UCJYDFZYJAOEAJ-JOCHJYFZSA-N 438.528 5.404 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1cccc(OC)c1 2183161 RFYQYJAKDSCICQ-UHFFFAOYSA-N 443.615 6.509 0 40 IKAB O=C(O)c1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4)cc3)C2=O)c1 2300771 ZBFRKBRIKLXILO-HYARGMPZSA-N 445.496 5.200 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccccc2Cl)cc1C 2324994 LYSRGLRHWXAKES-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB CCOc1cccc(OCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)c1 2342802 RGZHBZCQRRQQMX-UHFFFAOYSA-N 444.531 5.330 0 40 IKAB Cc1ccc(-n2c(Cc3cccs3)nnc2SCC(=O)Nc2cccc(C)c2C)cc1 2356910 QNFZRWBBYHEBLJ-UHFFFAOYSA-N 448.617 5.576 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCCOc2ccc(F)cc2)cc1 2399778 NRNSXOFQGXYKKH-UHFFFAOYSA-N 446.522 5.851 0 40 IKAB CC(C)N(C(=O)COC(=O)c1ccccc1-c1nc2ccccc2s1)c1ccccc1 2626677 YFNZVNNVNITKMZ-UHFFFAOYSA-N 430.529 5.562 0 40 IKAB Cc1oc2cc(OCc3ccc(Cl)c(Cl)c3)ccc2c(=O)c1-c1ccc(Cl)cc1 2666277 QYVZATOYEHBPGS-UHFFFAOYSA-N 445.729 7.308 0 40 IKAB biogenic Fc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccc(Cl)cc4)cc2-3)OCO5)cc1 2688837 UOJMDFTZILZYEA-UHFFFAOYSA-N 431.854 5.773 0 40 IKAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 2793600 XMKSKXCOGSQZQB-UHFFFAOYSA-N 436.462 5.724 0 40 IKAB COc1ccc2nc(N[P@@](C)(=O)c3nc4c(ccc5ccccc54)s3)sc2c1 3196186 DQVUEZUQRUOQNZ-SANMLTNESA-N 425.475 5.713 0 40 IKAB CCOc1ncccc1C(=O)O[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)c1ccccc1 3247795 JZHZFRVHCNFDKU-LJQANCHMSA-N 445.302 5.324 0 40 IKAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc(CSc2ccc(Cl)cc2)cc1 3302287 RBEYSACGWULMKR-UHFFFAOYSA-N 437.369 6.387 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(NC(C)(C)C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 4371543 BMFRSUUPDIARMS-YTAOHXRWSA-N 429.626 7.437 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1 4660829 AJJVEZHOCKLQBO-GOSISDBHSA-N 425.594 6.508 0 40 IKAB CCN(CC)CCCN(C(=O)COc1ccccc1)c1nc(-c2ccc(F)cc2)cs1 6511284 DELSYUIDAZOUJL-UHFFFAOYSA-N 441.572 5.093 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1 8845310 QQQIMHIELZDMHA-RUZDIDTESA-N 449.551 5.171 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2C/C=C\c2ccccc2)CN1c1cccc(Cl)c1 8871278 BWIJTPOWDFCUPC-SONCPKABSA-N 427.935 5.924 0 40 IKAB O=C(Oc1ccc2c(OC(=O)[C@@H]3C[C@@H]3c3ccccc3)cccc2c1)[C@@H]1C[C@@H]1c1ccccc1 8935052 VCVLKSXOJNCUEV-FPCALVHFSA-N 448.518 6.258 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2)o1 9064738 QVWGKYAQVHOCAS-PKNBQFBNSA-N 440.908 5.133 0 40 IKAB Cc1cccc(-c2nc3c(c(SCc4ccccc4)n2)Cc2c(CO)cnc(C)c2O3)c1 9116387 CJTRHHGZVLYJAV-UHFFFAOYSA-N 441.556 5.637 0 40 IKAB Cc1ccccc1-c1noc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)n1 9184993 RGOUKOIPCZQNID-UHFFFAOYSA-N 439.544 5.509 0 40 IKAB COc1ccc(-n2ccnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 9244577 ZWJSJPVAJLHWRG-UHFFFAOYSA-N 429.545 5.203 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(N(C)C)cc3)n2-c2ccccc2)cc1 9309427 HNYVJWPGDIBHAM-UHFFFAOYSA-N 443.576 5.040 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)nnc1-c1c[nH]c2ccccc12 9382297 ULLXAQWYSXPNEE-UHFFFAOYSA-N 445.470 5.196 0 40 IKAB O=C1C2=C(CCCC2)[C@@H](Nc2ccc(OCc3ccccc3)cc2)N1Cc1ccc(F)cc1 9520015 QZKGCLOEOZFLFE-MHZLTWQESA-N 442.534 6.056 0 40 IKAB Cc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3-c3ccoc3CC4)cc2)cc1 9595552 QUNZTDHQFFVOIN-UHFFFAOYSA-N 437.421 5.810 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)CCc1ccccc1 9662737 FPLYEPXMXJJYQY-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CN3CCC[C@@H]3c3nc4ccccc4s3)cs2)cc1 9831964 LCRGAMXJQQLERD-HXUWFJFHSA-N 448.617 5.580 0 40 IKAB Cc1ccc(NC(=O)Cn2cc(C(=O)c3ccccc3)c(=O)c3cc(Cl)ccc32)cc1C 9856215 MUUZUHXDEURVER-UHFFFAOYSA-N 444.918 5.141 0 40 IKAB C[C@@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)C(=O)N1c2ccccc2C[C@H]1C 9867402 RAKHIKHIRZWRKG-HZPDHXFCSA-N 443.576 5.220 0 40 IKAB Cc1cc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)no1 11614358 PSUZDJJUKJINBF-NRFANRHFSA-N 432.451 5.276 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccccc3)n2Cc2ccccc2Cl)cc1Cl 11914366 UGYKUDJLTPZBQL-RWEWTDSWSA-N 441.383 6.813 0 40 IKAB COC(=O)c1cc(-c2csc(NC(=O)[C@@H](Sc3ccccc3)c3ccccc3)n2)c[nH]1 12844645 VPTUBKXJBYVCEL-FQEVSTJZSA-N 449.557 5.397 0 40 IKAB O=C(Cc1csc(-c2ccccn2)n1)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 12901689 BFTKDPNNSZJKIP-LCMVAZINSA-N 437.568 5.161 0 40 IKAB CCc1ccc([C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)c2cccc(F)c2)cc1 13004795 JWVSXSSIARSGFK-XMMPIXPASA-N 431.536 5.355 0 40 IKAB CCn1c(CSCc2ccccc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 13880419 OCXDSLGTHNNQHX-UHFFFAOYSA-N 433.002 5.116 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2C)cc1 14269860 GMASZFOYHDGELG-UHFFFAOYSA-N 449.963 6.146 0 40 IKAB Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccc(Cl)cc3)o2)cc1F 15778756 XGMWFPUKGZTFSP-HXUWFJFHSA-N 436.874 5.749 0 40 IKAB FC(F)(F)c1cccc(CSc2cc(C(F)(F)F)c3cc4c(cc3n2)OCO4)c1 16398754 MNEMWZXSXQYLIR-UHFFFAOYSA-N 431.357 6.293 0 40 IKAB N=C1S[C@H](C(=O)c2ccccc2)[C@@](Br)(c2ccccc2)N1c1ccccc1 16476508 AHUSPTPILYVXOB-IFMALSPDSA-N 437.362 5.674 0 40 IKAB CCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(OCc2ccccc2)c1 16751984 JENYCZLYNCBOLH-RUZDIDTESA-N 439.511 5.717 0 40 IKAB Cc1ccccc1-n1c(CNc2ccc(Cl)cc2)nn(CC(=O)c2ccccc2)c1=S 16769333 MDKDDJDQMGWYSB-UHFFFAOYSA-N 448.979 5.860 0 40 IKAB Cc1ccc(NC(=O)CSc2nccn3nc(-c4cccc5ccccc45)cc23)cc1C 16840633 CKQQTAPBURTWSX-UHFFFAOYSA-N 438.556 5.897 0 40 IKAB O[C@]1(C(F)(F)F)[C@@H]2CCc3ccccc3C2=NN1c1nc(-c2ccc(Cl)cc2)cs1 16957575 PEAWIEYQMCERBF-UZLBHIALSA-N 449.885 5.501 0 40 IKAB CC(C)c1ccc(/C=C2\CSCC3=C2NC(=S)N[C@@H]3c2ccc(C(C)C)cc2)cc1 16958667 VWMQARYYHFGNNJ-LYRGBEMXSA-N 434.674 6.537 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4ccc(CC)cc4)cc3n2)cc1 17098275 DWVABWZNRXNKLW-UHFFFAOYSA-N 432.955 6.231 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)c1 17100048 XJNDZHUQWKUSQF-YRNVUSSQSA-N 436.408 5.674 0 40 IKAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373220 KZLGVXDNXDHCAT-XXBNENTESA-N 425.536 5.302 0 40 IKAB COc1ccccc1-c1c(C)oc2c3c(ccc2c1=O)OCN(CCc1cccs1)C3 20648614 PZXWCEQHFQSQSF-UHFFFAOYSA-N 433.529 5.233 0 40 IKAB biogenic C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22790779 SAMOERHBQIGBJM-IBGZPJMESA-N 430.577 5.266 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](c1ccccc1)c1ccc2nc[nH]c2c1 24927433 HXOQIAAHQBADNW-QFIPXVFZSA-N 430.558 5.196 0 40 IKAB CN1CCc2ccccc2[C@H]1Cc1ccccc1NC(=O)c1sc2ccccc2c1Cl 29590277 ACKAQJBYLPLIOW-JOCHJYFZSA-N 447.003 6.579 0 40 IKAB in-vitro CC[C@@H](C)Oc1cccc(C(=O)Nc2cc(Br)c(O)c(Br)c2)c1 32116516 KGTZDGUEEXISCL-SNVBAGLBSA-N 443.135 5.347 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1 34688211 PQTVGHIDEIYCJC-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1)c1cc(Br)ccc1Cl 35023991 JKILNQJKMLAJFC-UHFFFAOYSA-N 449.131 6.239 0 40 IKAB CCOc1ccccc1NC(=O)CSC1=Nc2ccccc2N=C(c2ccccn2)C1 35463009 ZCQRSVYUSUIRJY-UHFFFAOYSA-N 430.533 5.407 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)cc3)s2)cc1OCC 39723964 WYRKQOSNVPWNJJ-UHFFFAOYSA-N 449.985 5.534 0 40 IKAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1ccc(CS(=O)(=O)c2ccccc2)o1)C1CC1 40070284 LIQKACFPMKXVLZ-MRXNPFEDSA-N 443.952 5.273 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccccc5o4)cc3)no2)cc1OC 46086913 ZSMVSWYGUHHWLY-UHFFFAOYSA-N 441.443 5.419 0 40 IKAB CN(CC(=O)Nc1ccc(Oc2ccccc2)cc1)[C@@H](c1cccc(F)c1)c1cnn(C)c1 72282606 MMDXOYKXQOMCDQ-SANMLTNESA-N 444.510 5.011 0 40 IKAB Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN2C(=O)C(C)(C)c2ccccc2F)n1 72372722 YJEQKCIHXYPWHZ-QHCPKHFHSA-N 447.558 5.321 0 40 IKAB C/C=C/c1c(C(C)C)nc(C(C)C)c(C=O)c1-c1ccc(F)cc1OCc1ccccc1 95937873 KOOZCEDDEOUKIE-UXBLZVDNSA-N 431.551 7.559 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@H](c4ccc(Cl)cc4)C3=C(O)C2)c(OC)c1 102659285 DYFYPNDWLNTWQW-RCDICMHDSA-N 436.899 5.014 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2cccc(C)c2C)cc1 108165612 ZYDGVUVLRHPYSI-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB COC(=O)CC[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 122618594 XHQVLSIVZIPGLE-XUCVSNNZSA-N 446.628 5.345 0 40 IKAB COC(=O)c1ccc(NC(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 138810969 MNHUUSCFYXWBFM-UHFFFAOYSA-N 443.286 5.285 0 40 IKAB c1ccc([C@H](CN2CCCCC2)NCCCN[C@@H](CN2CCCCC2)c2ccccc2)cc1 141731566 AYKOVWGUWRWJCJ-VMPREFPWSA-N 448.699 5.010 0 40 IKAB CCOc1cc(C(=O)N2CCS[C@@H](c3ccccc3)CC2)cc(OCC)c1OCC 211141066 DNGGTYMFRJMFAN-JOCHJYFZSA-N 429.582 5.203 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222750318 FISGPDSIFBKPMK-SFHVURJKSA-N 447.044 5.214 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 223024068 RHJQPMPNEARLPS-GUMMOOENSA-N 438.011 6.912 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccccc1 223094118 OSDDFGSBJDAYLB-IZZNHLLZSA-N 444.648 5.853 0 40 IKAB O=C(NCCOc1cccc2ccccc12)/C(=C/c1ccccc1Cl)c1ccccc1 223509854 IYWILYHNZZKVPX-LYBHJNIJSA-N 427.931 6.229 0 40 IKAB CCc1ccc(CC)c(CNC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 223602991 TVDHKHSWAYQRGB-UHFFFAOYSA-N 443.429 5.102 0 40 IKAB C[C@@H]1CCCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)C1 224008117 KEDQJSDSBQERKV-LJQANCHMSA-N 440.632 5.646 0 40 IKAB C[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1 224017694 MSOAJINKJOENSI-CQSZACIVSA-N 449.359 5.285 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)c(Cl)cc2Cl)cc1COc1ccccc1 224087170 UHCOCYKOWBHLHA-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB O=C(Nc1cnc(Oc2ccccc2F)nc1)Nc1ccc(Cl)c(C(F)(F)F)c1 224291769 NXAQDTQVCBDECK-UHFFFAOYSA-N 426.757 5.724 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccc(C(C)(C)C)cc1 224523671 ASEZDKMZDIXGDS-UHFFFAOYSA-N 449.616 6.936 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 224809453 DUHYEBQOQRGMCW-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224928840 OCBDSENBZREDTB-UHFFFAOYSA-N 448.497 6.667 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC2CCCCC2)cc1 225151473 GYNAYDANHNUBFC-IBGZPJMESA-N 442.600 5.092 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 225220611 IODQBQDZOVVUDM-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225344945 BBRNRHFCLZITHW-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225378506 DFXHYEHZPZTWGF-DEOSSOPVSA-N 441.015 5.181 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 225555771 AWVYLIBIUYNJLX-OAHLLOKOSA-N 439.408 5.027 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC(c1ccccc1)c1ccccc1 225589396 CVZBLSKELDPNOC-NRFANRHFSA-N 446.566 5.290 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Cl)c(C(=O)OC)c3)CCCC2)cc1 225861423 WCKDMLBZMOKPNW-UHFFFAOYSA-N 432.973 5.281 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2cccnc12 225864315 YSJVBUTYGGHLTA-UHFFFAOYSA-N 429.347 6.391 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2ccc3cnccc3c2)C1 257250251 JLTAIGOMSCUNDG-QFIPXVFZSA-N 437.543 5.310 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1Cl)c1ccccn1 257316123 VEFQXRJPEHGJOG-DENIHFKCSA-N 448.438 6.037 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Br)c(C)c2)cc1OCC 408622323 PRHDRWFKYSAQGD-UHFFFAOYSA-N 426.738 5.851 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nn2-c2ccccc2C)cc1 408697186 FSYRMUOJRGKZMH-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cc(Cl)ccc3C)n2)c1 408697759 JEPUCJNJQSEKKJ-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)S2)cc1 408768491 GIWNJEGSUUVQRK-PSXBWXLBSA-N 445.371 6.415 0 40 IKAB COc1ccc(OC)c(-c2nc(NC(=O)C(c3ccccc3)c3ccccc3)sc2C)c1 408835403 WUOZTTXTDBAZOU-UHFFFAOYSA-N 444.556 5.906 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3Cl)c(Cl)c2)C1=O 409061064 UQYVGJDEZSJXNY-UNOMPAQXSA-N 436.360 6.409 0 40 IKAB Cc1ccc(-n2c(SCC(=O)NCc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409094056 BSFQCDSUNHGSCT-UHFFFAOYSA-N 448.979 5.305 0 40 IKAB O=C(CSc1n[nH]c(COc2ccccc2)n1)N1c2ccccc2Sc2ccccc21 409386174 RFMCWWPORPNSKO-UHFFFAOYSA-N 446.557 5.305 0 40 IKAB COc1ccc(Nc2cc(Nc3ccc(OC)cc3)n(C(=O)c3ccc(Cl)cc3)n2)cc1 575443067 OCHZZSQIHHIIOC-UHFFFAOYSA-N 448.910 5.729 0 40 IKAB Cc1cnc(Nc2cccc([C@@H]3CN(C(=O)C4(c5ccccc5)CCCC4)CCO3)n2)s1 2037834709 FWLQEMOWVHUVLN-NRFANRHFSA-N 448.592 5.002 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2c(Cl)cccc2Cl)Cc2ccccc21 2037885057 UYDYDHWYOXVJSD-UHFFFAOYSA-N 447.406 6.343 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(Cl)c(Cl)c2)n1C 642336 ZXQSYASZXWIIRR-UHFFFAOYSA-N 435.380 5.391 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)CCC(=O)O)c2C(=O)Nc2cccc3ccccc23)C1 722410 QLMGUWITSSSZMA-AWEZNQCLSA-N 436.533 5.082 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2F)sc(C(=O)Nc2cccc(C)c2C)c1C 872086 CMSSJDILMGTQFM-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB COc1ccc(-c2csc(NC(=O)CSc3nc4c(C)cc(C)cc4cc3C)n2)cc1 932955 UGOPOWQCPSFDIX-UHFFFAOYSA-N 449.601 6.023 0 40 IKAB COc1ccc(CN(Cc2cccnc2)C(=S)Nc2cccc(Cl)c2)cc1OC 933365 ARJIZDOJUUFKAL-UHFFFAOYSA-N 427.957 5.151 0 40 IKAB COc1ccc(OCc2nc3c4c(-c5ccccc5)c(-c5ccccc5)oc4ncn3n2)cc1 1243923 BNGHWHDICIRVOH-UHFFFAOYSA-N 448.482 5.792 0 40 IKAB O=C(CSc1ccc(-c2nc3ccccc3[nH]2)cn1)Nc1ccccc1C(F)(F)F 1329658 NNFOCTQJIWFEIJ-UHFFFAOYSA-N 428.439 5.375 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2OC)cc1 1331497 GBSIXFXUOADDHQ-UHFFFAOYSA-N 441.531 5.031 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2cccs2)cc1 1333729 NCCYTSKNTZJMRY-QHCPKHFHSA-N 438.618 5.494 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)Oc1ccc(Cl)cc1Br 1754101 QYVQLRVKTBUZCX-UHFFFAOYSA-N 429.019 6.386 0 40 IKAB CC(C)c1ccc(Cn2cnc3scc(-c4ccc(Br)cc4)c3c2=O)cc1 1787572 WQVNRIYRSQSHCC-UHFFFAOYSA-N 439.378 6.059 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CC(C)(C)OC3 2271267 SGGLSWJDTGWWNY-UHFFFAOYSA-N 442.650 5.690 0 40 IKAB CCCCc1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1CCC2 2321356 MWIKSOZNZPTMDI-UHFFFAOYSA-N 433.602 6.046 0 40 IKAB CC[C@H](C)c1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2322137 UUSCFWVNSYVVPN-IBGZPJMESA-N 428.532 5.665 0 40 IKAB CSc1nc(S)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CC(C)(C)OC4 2384373 IJNWTKBWDSDAIR-UHFFFAOYSA-N 425.604 5.768 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1-c1ccccc1C 2617596 JEBJEZWTWMOIEC-UHFFFAOYSA-N 444.560 5.531 0 40 IKAB O=C(O)c1ccc(Cl)c(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)c1 3239581 FEANSCVRNAJACC-UHFFFAOYSA-N 436.316 5.087 0 40 IKAB C[C@@H]1CCCC[C@H]1n1c(SCC(=O)c2ccc(F)c(F)c2)nnc1-c1cccnc1 3303367 GOWKIXZZVZDUNT-AUUYWEPGSA-N 428.508 5.345 0 40 IKAB CSc1ccc(/C=C/C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1 3338455 DDQHIYHRWYDMSQ-QPJJXVBHSA-N 430.740 5.564 0 40 IKAB C[C@H]1CC[C@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C 3846143 NKAAAQIOGVGJLI-LNYGVPGBSA-N 442.640 6.925 0 40 IKAB CC1=C(CC[C@H](C)NCc2ccc(OCCCN3CCCCC3)cc2)C(C)(C)CCC1 4683517 UWMLOMPZZDUFEY-DEOSSOPVSA-N 426.689 6.726 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846253 NZOKTCPPEGXKAW-DEOSSOPVSA-N 440.499 5.031 0 40 IKAB Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCC[C@H](C)C3=C[C@H]12 8918491 JVNVZTKUUYCRQT-YEWNMZNISA-N 432.608 5.758 0 40 IKAB biogenic Clc1ccc(C2=NN(c3ccc(Cl)cc3)[C@H](c3ccc(Br)cc3)C2)cc1 8927069 JMDREAOXVLNDBR-NRFANRHFSA-N 446.175 7.112 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4cccc(Cl)c4Cl)o2)N3)C1 8928040 FBQHQKQSFUFZQW-LJQANCHMSA-N 448.375 6.122 0 40 IKAB O=C(Nc1ccc(NC(=S)NC(=O)c2cccc3c(Cl)cccc23)cc1)c1ccco1 9064763 VOYJIPVHRBWXFD-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3)cc2)c2c(O)nn(C3CCCCC3)c2N1 9076148 CFMVIHQNNKGHAW-QHCPKHFHSA-N 449.576 5.448 0 40 IKAB COc1ccc(C2=NN(C(C)=O)[C@H](c3cn(-c4ccccc4)nc3-c3cccs3)C2)cc1 9419948 NIDLJCMHUTXGSS-QHCPKHFHSA-N 442.544 5.307 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1nc(SC)ncc1Cl 9431714 PHCNDMVYISIWMC-UHFFFAOYSA-N 447.969 5.318 0 40 IKAB CCCCOc1ccc([C@H]2SCC(=O)Nc3c2c(C)nn3[C@@H]2CCOC(C)(C)C2)cc1 9432023 CELZCUZCXWCFLQ-XMSQKQJNSA-N 443.613 5.275 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nnc(-c3ccncc3)n2-c2ccc(F)cc2)cc1 9666338 SFEYBNMTXALEDZ-INIZCTEOSA-N 448.523 5.231 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)CC(=O)N(C)[C@H](C)c1ccccc1 11344110 ICMLZKZVPZZXCA-LEWJYISDSA-N 429.564 5.151 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@H](Oc1ccc2c3c(c(=O)oc2c1)CCCC3)c1ccccc1 11866697 GNBLUPCUPIMLBR-AREMUKBSSA-N 444.914 6.328 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(OC)c(F)c4)cs3)[C@H](c3ccco3)C2)cc1 12420484 URVOGWBFONYRKN-NRFANRHFSA-N 449.507 5.915 0 40 IKAB CN1/C(=C/C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)C=Cc2ccccc21 12524301 VZARTKFEXIFBGZ-KNTRCKAVSA-N 449.604 7.385 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Nc3ccccc3)cc2)cc1S(=O)(=O)N1CCCCC1 12563619 PQLZBQBAZGJZLC-UHFFFAOYSA-N 449.576 5.166 0 40 IKAB O=C(CNC(=O)c1ccc2noc(-c3ccccc3)c2c1)Nc1cc(Cl)ccc1Cl 12862227 DCLZKVNCCNJYTI-UHFFFAOYSA-N 440.286 5.170 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C1\CCCc2c1nc1ccccc1c2C(=O)O 12949356 QYOKGEPAERNJHM-FYWRMAATSA-N 447.897 6.097 0 40 IKAB CN(Cc1ccccc1)[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1 13040476 ARJPLBGJSZFOEU-NRFANRHFSA-N 432.873 6.171 0 40 IKAB COc1ccc(-c2csc3nc(C)nc(Oc4ccc(Cl)c(C)c4)c23)cc1OC 13095234 SUQLUDRAWGNJFO-UHFFFAOYSA-N 426.925 6.438 0 40 IKAB c1cncc(Oc2cccc(Oc3cccc(Oc4cccc(Oc5cccnc5)c4)c3)c2)c1 13282877 KZONAHPFSSKHCW-UHFFFAOYSA-N 448.478 7.646 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 13513668 CTUMMESNLVRHKF-NHYWBVRUSA-N 446.400 6.281 0 40 IKAB C[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc(C(C)(C)C)cc1 13669257 WAJXQLXXDKKGQE-SFHVURJKSA-N 436.577 5.276 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cccc(Cl)c3)n2CC)cc1 13871525 MZXWHUDDDUJHPU-OAHLLOKOSA-N 444.988 5.385 0 40 IKAB O=C(CN1CCC[C@H](c2nc3ccccc3s2)C1)Nc1ccc(N2CCCCC2)cc1 14071071 WBSFZQZSBMCBBX-IBGZPJMESA-N 434.609 5.105 0 40 IKAB O=C(Nc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CCCC2)c1)c1ccccc1Cl 14095084 MZJFULZGEKHLFE-DEOSSOPVSA-N 445.950 6.101 0 40 IKAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCC1 14271325 PDJJNVMBJARRIQ-UHFFFAOYSA-N 441.906 5.015 0 40 IKAB CCOc1cc([C@@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN23)cc(Cl)c1O 15016216 WFJJQGIPNNPAOO-VGSWGCGISA-N 426.925 5.748 0 40 IKAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 16099544 WKVIYFLISHEEKB-UHFFFAOYSA-N 440.546 5.090 0 40 IKAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(OCc4ccccc4)c(OC)c2)N3)C1 16193291 UJRKDSHUDUJGIJ-HSZRJFAPSA-N 449.576 5.143 0 40 IKAB COc1ccc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1Br 16226641 GFYKTIBGXKFGHL-UHFFFAOYSA-N 441.108 6.277 0 40 IKAB Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)c1 16806320 VCHCPUBJNITXQF-HSZRJFAPSA-N 444.922 5.193 0 40 IKAB COc1ccc(C2(C(=O)NCCC(c3ccccc3)c3ccccc3)CCOCC2)cc1 16985552 NUEPTESASRWGOL-UHFFFAOYSA-N 429.560 5.082 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCN3C(=O)c2cccs2)cc1C 17010242 SQAWWPQLACDGFU-UHFFFAOYSA-N 440.590 5.067 0 40 IKAB S=c1[nH]ncn1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22111769 AORRDEQFTPEVMW-UHFFFAOYSA-N 431.348 5.723 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 22510440 VNULVQGADOAOLE-PMACEKPBSA-N 430.548 5.707 0 40 IKAB COc1ccc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)c(OC)c1 23136566 SSXXSXOIQUVSCJ-UHFFFAOYSA-N 437.443 5.104 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)[C@@H](C)Oc1ccc(C)cc1)CC2 24924044 FRHRICKQKHAGBQ-OSPHWJPCSA-N 437.561 5.015 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2sc(C)nc2-c2cc(C)sc2C)c1 25050201 UTVZRKLQVYCPBD-CYBMUJFWSA-N 430.595 5.234 0 40 IKAB CCc1ccc(OCC(=O)NC[C@@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27746152 UCYBTDCBORVKLB-DEOSSOPVSA-N 428.532 5.066 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccccc3C)n2-c2ccccc2C)cc1 28047583 FMGTYFQOBFXBIW-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB COc1ccc([C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)N2CCCCCC2)cc1 32555787 AKCXOIYBJBFTIZ-NRFANRHFSA-N 435.996 5.391 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)COc4c(C)cccc4C)cc3)n2)cc1 32624065 SLWFAZGQQXXIBU-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1ccc(-c2noc(-c3ccccc3NC(=O)c3cc(-c4cccs4)on3)n2)s1 32624732 ASPNVKFFCDMPJE-UHFFFAOYSA-N 434.502 5.742 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)n1c(=O)c(C(F)(F)F)nc2ccccc21 32801698 GTGJPUFGBVXCPC-OAHLLOKOSA-N 437.421 5.282 0 40 IKAB FC(F)(F)c1cccc(-c2noc(Cc3nc(-c4ccc5c(c4)OCO5)cs3)n2)c1 33171474 MCWISCYRTGIZCO-UHFFFAOYSA-N 431.395 5.198 0 40 IKAB COc1ccc(-c2ccc(SCc3nc(-c4ccc(Cl)cc4)no3)nn2)cc1OC 33262518 JPTJBKLYTRLBCJ-UHFFFAOYSA-N 440.912 5.157 0 40 IKAB O=C(NCCSC1CCCCC1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38852838 HIWUKYDCFAGJEH-UHFFFAOYSA-N 429.457 5.388 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c(C)c1C(=O)N1CCC(c2ccccc2)CC1 40154902 NJSWNNXHCDSTLF-UHFFFAOYSA-N 438.369 5.271 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2Cl)CC1)c1ccc(OC)cc1 44936314 KKLHAAKBQFXNPA-QFIPXVFZSA-N 435.395 5.482 0 40 IKAB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)c2c(C)nn(C(C)(C)C)c2n1 48286196 VIIJBPMOIDSXMW-UHFFFAOYSA-N 431.515 5.184 0 40 IKAB Cc1c(C(=O)NCc2ccc(-c3ccc(Br)cc3)o2)oc2c1C(=O)CCC2 58411590 RTIPOYXKVFJYAR-UHFFFAOYSA-N 428.282 5.060 0 40 IKAB Cc1c(C(=O)Nc2nc3cc(F)c(F)cc3s2)sc2nc(C(F)(F)F)ccc12 58779503 NXQKIAHQCVLLMV-UHFFFAOYSA-N 429.395 5.764 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)N3CCCc4ccccc43)n2)cc1 58960139 YXWLMIPLOKABEP-UHFFFAOYSA-N 443.494 5.542 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)NCc4ccc(Cl)cc4)nccn3n2)cc1C 67289918 MUYPZODGUYDCRG-UHFFFAOYSA-N 436.968 5.075 0 40 IKAB COc1cccc2cc(C(=O)Nc3ccccn3)/c(=N/c3ccccc3C(F)(F)F)oc12 67293574 LXCIBGBNYBBNLF-SLMZUGIISA-N 439.393 5.340 0 40 IKAB CCc1ccccc1Nc1nc(C)c(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)s1 71326562 VLMVEUGSYPYDDT-AWEZNQCLSA-N 425.554 5.266 0 40 IKAB Brc1cccc(C2(c3nnc(-c4ccc5ccccc5n4)o3)CCOCC2)c1 84598168 WCUUTUBDXBSJPT-UHFFFAOYSA-N 436.309 5.144 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 89662099 GRHRAEJAGOWHKT-VQTJNVASSA-N 445.991 5.749 0 40 IKAB CC(C)=CCCC1=CC[C@@H](C2OCC3(CC=C(CCC=C(C)C)C[C@H]3C)CO2)[C@H](C)C1 100741625 MFGNVTISQZYJEE-WJUNTWIWSA-N 426.685 8.167 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1OCC 106698117 XOLQATNUHGUNRO-STZFKDTASA-N 429.513 5.640 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2cccc(C)c2)C1=O 106707758 MNFXMHSIXNGXDS-JLPGSUDCSA-N 431.557 6.564 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)cc1OC 106733888 GQCWTRLUUCHTKD-CFFVULROSA-N 449.931 5.902 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)[C@@]1(C)C[C@H]2C=C[C@H]1C2 112249529 JRGHSCKPOIDCKW-OSOCVKALSA-N 440.547 5.282 0 40 IKAB C[C@]12CCCC[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2NC[C@H](O)COc1ccccc1 118913081 ULILXULMDVDQAM-XJXNGWTOSA-N 425.657 5.817 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)Cc1ccccc1C 224065855 XXUBEASPVUKKHY-MHZLTWQESA-N 442.603 5.012 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1 224191707 SAWOITUPKIWRAH-QZTJIDSGSA-N 430.396 5.391 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)c1 224539372 QDTHMOGDBJFJAR-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1CSc1ccc(Cl)cc1 224675431 ZAGQHEPLZGKKQW-UHFFFAOYSA-N 441.980 6.682 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)ccc1Cl 225025068 GKUDWKGVLMIMSM-XZOQPEGZSA-N 437.012 5.749 0 40 IKAB C[C@H]1CCCCN1CCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1 225548072 MXEZUGLFQWWKHI-NRFANRHFSA-N 438.587 5.920 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)c1 225613409 OKCBBIGURDWMHL-KRWDZBQOSA-N 435.395 5.095 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 225636588 SUNZWMXKUGAPDE-HTAPYJJXSA-N 449.422 5.648 0 40 IKAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NCC2(c3ccccc3)CCCCC2)n1 225983896 XYJHGAWMQCTKCD-LJQANCHMSA-N 437.657 5.210 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cc2cc3ccccc3nc2s1 226095809 DLNWLHKTJZGYFO-UHFFFAOYSA-N 440.368 6.739 0 40 IKAB Nc1cc(NC(=O)c2ccc(-c3ccc(Br)cc3Cl)o2)ccc1Cl 226765920 VBXOXTIUPPFZRE-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB C[C@@]12CC[C@@]3(C)[C@]4(C)C[C@@H](Cc5cccnc5)[C@@H](O)[C@@]4(C)CC[C@]3(C)[C@@]1(C)CC[C@H](O)C2 252495772 OZTJWHHQFTUXEG-HMWHCUKNSA-N 439.684 6.175 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC(c4cc(Nc5cccc(C)n5)cc(C)n4)CC3)c2c1 257222840 DUVXZBMBSBQJHW-UHFFFAOYSA-N 440.551 5.042 0 40 IKAB Cc1cc(Nc2nccs2)cc([C@@H]2CCN(C(=O)CCc3cccc(Cl)c3)C2)n1 257295238 QXNVSKYMYUCAFM-QGZVFWFLSA-N 426.973 5.192 0 40 IKAB CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408592848 OWNGNPDCGOTKJV-UHFFFAOYSA-N 439.537 5.153 0 40 IKAB O=C(Nc1ccccc1F)c1nc(-c2ccccc2)n(-c2ccc(Br)cc2)n1 408696543 AMVAILPYHWOBIO-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(F)cc3)S2)cc1 408775307 SBMXJLVZWDWVPH-LWUPDDLQSA-N 434.536 5.567 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(C)c3C)nnc2-c2ccccc2)cc1C 409103007 CIPQEGYHHHJIIW-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB Cc1c(Cl)cccc1NCc1cc(Br)ccc1OCc1ccc(F)cc1 409113892 GFLAICQHGPKYIE-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCc1ccc(Br)cc1 409130614 IMNXRLQYUMRWIE-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409236087 QVRRFOHKWDVFMH-WOJGMQOQSA-N 435.904 5.513 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2cc(C)ccc2C)C1=O 409356290 MAMUBQWHWXNYEG-YBFXNURJSA-N 444.940 5.031 0 40 IKAB COc1ccc(-c2ccc(C(=O)O)c(CCC3CCCC3)n2)c(OCc2ccccc2)c1 585265928 UVDWVXDTADDHRX-UHFFFAOYSA-N 431.532 6.157 0 40 IKAB COc1c(C)cccc1C(=O)N1CCCCCCCN(C(=O)C(C)C)c2ccccc2C1 643588011 SUQYLFJAEBBCJX-UHFFFAOYSA-N 436.596 5.599 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCCN2Cc2ccc(Cl)cn2)n1 2037905335 IJADXELKUVTSGX-SFHVURJKSA-N 428.993 5.378 0 40 IKAB CCOc1ccc(-c2nc(N(C(=O)CC)c3ccc(C(=O)OC)cc3)sc2CC)cc1 643314 GPOLGWNNLBFHLZ-UHFFFAOYSA-N 438.549 5.633 0 40 IKAB CCn1c(CNc2ccc(C)c(Cl)c2)nnc1SCC(=O)Nc1c(C)cccc1C 649511 BLUGRTUNHNMFLZ-UHFFFAOYSA-N 444.004 5.220 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 683020 LHNVROSKACPLPQ-PMACEKPBSA-N 432.520 5.115 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@@H]3Nc4ccccc4C(=O)N3c3ccccc3)o2)cc1 720152 FHLQCMNORAUNIV-RUZDIDTESA-N 438.483 5.894 0 40 IKAB O=C(CSc1nc2ccccc2o1)Nc1nc(-c2ccc(Br)cc2)cs1 1085773 IYEXIULEIHLVMY-UHFFFAOYSA-N 446.351 5.445 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SCc4ccc(OC(C)C)cc4)nc(N)c23)CO1 1251079 OTONTUOQWKIAFN-QFIPXVFZSA-N 429.611 5.594 0 40 IKAB O=C(Nc1ncc(Cc2ccc(SC(F)F)cc2)s1)c1cc(F)c(F)c(F)c1F 1453222 PGFSYBDRSZMGGO-UHFFFAOYSA-N 448.413 5.857 0 40 IKAB Cc1cccc(Oc2coc3cc(OCc4ccc(Br)cc4)ccc3c2=O)c1 1769968 FMOFZMAYGCHTBY-UHFFFAOYSA-N 437.289 6.235 0 40 IKAB O=C(CSc1ccccc1)N1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@H]31 2141239 KSHJOXYBFQGFMR-AREMUKBSSA-N 444.644 6.701 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 2238816 GYEYUTJMGQVWSH-UHFFFAOYSA-N 442.849 6.466 0 40 IKAB CC[C@@H](C)c1ccc(OCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2322136 UUSCFWVNSYVVPN-LJQANCHMSA-N 428.532 5.665 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3cccc(Cl)c3)cc2O)cc1 2351535 OBIHVZIFRXPJMR-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCCCCOc2ccc(C)cc2)cc1 2409413 ZUKNXGCUODGHHV-UHFFFAOYSA-N 428.532 5.630 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 2629078 SRPFGSOSIWBPNW-QGZVFWFLSA-N 446.532 5.188 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)c3c(Cl)cccc3Cl)c2C(N)=O)C1 2922108 FHNRRVWJRGJOEC-NSHDSACASA-N 439.408 5.947 0 40 IKAB O=C(COC(=O)c1ccccc1OCc1ccccc1)c1ccc(Br)cc1 3229422 SJFMWCPRXANNMG-UHFFFAOYSA-N 425.278 5.068 0 40 IKAB Cc1cc(C(=O)COc2ncnc3scc(-c4ccccc4)c23)c(C)n1CCC(C)C 3302488 RHSCYGCYOPQKRI-UHFFFAOYSA-N 433.577 6.084 0 40 IKAB O=C(COC(=O)c1ccccc1Cc1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl 3311302 NYBRLTFXDNJSRY-UHFFFAOYSA-N 447.840 5.745 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1cccnc1 3999715 VSELIJPMEWRSMX-SRHMBTIYSA-N 428.617 5.131 0 40 IKAB CCCC[C@H](CC)CNC(=O)C1CCC(Cn2c(=S)[nH]c3ccccc3c2=O)CC1 4657974 UVFAVWISXXYGFK-VIQWUECVSA-N 429.630 5.198 0 40 IKAB CCc1ccccc1NCC(=O)Nc1ncc(Cc2ccc(Br)cc2)s1 6161568 ALDCSPGSTMNISM-UHFFFAOYSA-N 430.371 5.109 0 40 IKAB CCCSc1nc2c(c(=O)n1-c1ccc(OC)cc1)C1(CCCC1)Cc1ccccc1-2 6500927 UNSYFLRSQUDLBN-UHFFFAOYSA-N 432.589 5.778 0 40 IKAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@H]2C(F)(F)F 6631939 SDYDJBWUOMWXJC-WQAKAFBOSA-N 435.277 5.379 0 40 IKAB O=C1Sc2ccc(S(=O)(=O)N(Cc3ccccc3)Cc3ccccc3)c3cccc1c23 8439245 FDRDMGHRPZQCQP-UHFFFAOYSA-N 445.565 5.477 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1Br)C(=O)Nc1ccc2ccccc2c1 8453334 SIFXYGAKYOWVJM-GFCCVEGCSA-N 449.142 5.771 0 40 IKAB Cc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21 8754851 NKCCOWTZNZCYLE-LJQANCHMSA-N 445.950 5.598 0 40 IKAB O=c1c(Cc2ccc(Cl)cc2Cl)c(O)ccn1CCNc1cccc2ccccc12 8857413 ZNYYWMMMSZABKB-UHFFFAOYSA-N 439.342 5.717 0 40 IKAB COc1cc(OC)cc(-c2nnc(SCc3csc(-c4cccc(OC)c4)n3)o2)c1 8877907 JMGFQPZPZNNARG-UHFFFAOYSA-N 441.534 5.178 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)cc1 8903941 WSOUPQBMCOJZPY-UHFFFAOYSA-N 432.476 5.092 0 40 IKAB Cc1ccc(CSc2nc(Oc3ccccc3)c3sc4nc(C)cc(C)c4c3n2)cc1 8925866 JUTUUHXPLXFSFQ-UHFFFAOYSA-N 443.597 7.249 0 40 IKAB CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9161312 ULTSRVJOISZFKB-QHCPKHFHSA-N 426.472 5.035 0 40 IKAB Cc1cc2oc(C(=O)N(Cc3ccco3)Cc3ccccc3Cl)c(C)c2cc1Cl 9431932 OIXGJJNNIQXROG-UHFFFAOYSA-N 428.315 6.792 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 9478236 LLSGPWQVIRWBQM-HSZRJFAPSA-N 436.017 5.135 0 40 IKAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4cccc(OC)c4)=NN3C(=O)CC)cc2c1 9495144 NCHWBZRGZGMSLN-JOCHJYFZSA-N 437.927 5.383 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)Nc1ccccc1F 9763283 XWZPRNYHDMPXHG-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB O=C(NC1CC1)[C@@H](Sc1nnc(-c2ccccc2)c(-c2ccccc2)n1)c1ccccc1 9864880 WCGYXJSDHHEYSZ-DEOSSOPVSA-N 438.556 5.318 0 40 IKAB CC(=O)NCc1ccc(-c2csc(NC(=O)c3cccc(Oc4ccccc4)c3)n2)s1 9868228 AQRDDGUWXVVFSQ-UHFFFAOYSA-N 449.557 5.552 0 40 IKAB Clc1cccc(Cl)c1CSc1nnc(Cc2ccc(Br)cc2)o1 10475671 URFJPKZLYVOAQW-UHFFFAOYSA-N 430.154 6.022 0 40 IKAB CCCN(C(=O)Nc1ccccc1OC)c1nc(-c2ccc(Cl)cc2Cl)cs1 12529493 KKRVQKFDNREZCO-UHFFFAOYSA-N 436.364 6.574 0 40 IKAB CC[C@H](C)n1c(SCC(=O)N[C@@H](C)c2cccc3ccccc23)nc2ccccc2c1=O 12784518 HCMVVEAEWLVWPC-ROUUACIJSA-N 445.588 5.490 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)[C@H](C)Sc2ccc(C)c(C)c2)cc1 13096289 SJASVZVCMVWRLC-SFHVURJKSA-N 434.561 5.684 0 40 IKAB CCn1c(-c2ccc(Cl)cc2Cl)nn(CN2CCC[C@H]3CCCC[C@@H]32)c1=S 13098355 MFSZHPBSVAXFFC-KDOFPFPSSA-N 425.429 6.020 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(COc2ccccc2Cl)n1C1CC1 13112340 STZPWWMUELYXDL-UHFFFAOYSA-N 443.956 5.349 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(-c3ccoc3C)n2[C@@H](C)c2ccccc2)cc1 13512119 UDORBANGAZXONJ-INIZCTEOSA-N 448.548 5.195 0 40 IKAB O=C1c2ccccc2[C@H](Nc2cccc(C(F)(F)F)c2)N1Cc1ccc2c(c1)OCO2 13894602 WAZUNAAXYFEUQU-OAQYLSRUSA-N 426.394 5.201 0 40 IKAB O[C@H]1CC2(CCN(C[C@H](O)c3ccc4ccccc4c3)CC2)Oc2c1ccc1ccccc21 13998233 MHTQWLGQZQJDEI-SVBPBHIXSA-N 439.555 5.377 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3C)ccc2Cl)c1 14153682 DLJORDUUAHLASK-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(-c2cc(C(=O)Oc3ccc(NC(C)=O)cc3)c3ccccc3n2)cc1OC 14628165 CJYROUNJIGIBFP-UHFFFAOYSA-N 442.471 5.097 0 40 IKAB O=C(CN[C@H](Cc1ccccc1)c1ccccc1)N[C@@H](c1ccccc1)c1cccs1 14670852 OFAYBEXHISKISS-SQHAQQRYSA-N 426.585 5.527 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccccc2)cc1 16789093 VOHBTPNKVNVVHC-UHFFFAOYSA-N 439.588 6.400 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 17098753 KNPZVFOQDPTLPE-UHFFFAOYSA-N 434.320 5.451 0 40 IKAB O=C(Cc1c(Cl)cccc1Cl)N1CCN(C(c2ccccc2)c2ccccc2)CC1 17103225 PASLLAQFCGIHKW-UHFFFAOYSA-N 439.386 5.470 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3Cc3ccncc3)n2)c1 19294056 KJVBPRYMOXRYBT-DEOSSOPVSA-N 440.526 5.544 0 40 IKAB Cc1cc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nc2cc1Cl 19646573 AQEWDUFUGLCFMH-UHFFFAOYSA-N 447.774 7.484 0 40 IKAB C[C@@H](SCc1ccccc1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238768 HKTBPOIRHPOYDH-JOCHJYFZSA-N 430.617 5.242 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)c2c[nH]c3ccccc23)cc1OC 20899473 MUYNGFHFYNJBLD-OAQYLSRUSA-N 448.950 5.791 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccc(Cl)cc2)n2c(nc3ccccc32)N1 20969934 JSOKVDJPEABERO-JOCHJYFZSA-N 432.886 5.756 0 40 IKAB Cc1ccccc1-n1cc(-c2ccccc2)c2c(NCc3ccc4c(c3)OCO4)ncnc21 21798018 JPRPZKTXRMYTOW-UHFFFAOYSA-N 434.499 5.737 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 22529191 LBHFKJGABQGOPS-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2)c1ccccc1 25425152 RHQWLVDODADEQQ-KNTRCKAVSA-N 439.536 6.213 0 40 IKAB Brc1ccc(-c2nn(-c3ccccc3)cc2Cc2nc3ccccc3[nH]2)cc1 27987130 LEQZPEJUBJZBQF-UHFFFAOYSA-N 429.321 5.769 0 40 IKAB COc1cc2sc(NC(=O)c3cccc4c(Br)cccc34)nc2cc1Cl 32127708 GAEBBQWHMDSRSZ-UHFFFAOYSA-N 447.741 6.126 0 40 IKAB O=C(Nc1ncn(Cc2ccc(Br)cc2)n1)c1sc2ccccc2c1Cl 33114929 AUFJOVMQXOCJLG-UHFFFAOYSA-N 447.745 5.209 0 40 IKAB Cc1noc(-c2ccccc2)c1C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 35671491 OLLVSURQLZYXHU-UHFFFAOYSA-N 440.430 6.019 0 40 IKAB COc1ccccc1-c1coc2c3c(ccc2c1=O)OCN(CCCc1ccccc1)C3 54313300 UEBQLKXNUQPFIX-UHFFFAOYSA-N 427.500 5.253 0 40 IKAB biogenic Clc1cccc(OCCc2cc([C@H]3CCN(Cc4ccc5ncccc5c4)C3)n[nH]2)c1 72371480 OZUFFOKXIVIYOV-FQEVSTJZSA-N 432.955 5.222 0 40 IKAB Cc1csc(Nc2cccc([C@@H]3CCCN3C(=O)CC3CC(C)(C)NC(C)(C)C3)n2)n1 72375695 HNMZQMJLOLQYBN-IBGZPJMESA-N 441.645 5.201 0 40 IKAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 89904817 YEKDDCBUFIMHPK-GCJKJVERSA-N 430.957 5.467 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cnc(-c4ccccc4)nc3)cn2CC2CC2)cc1Cl 96037747 ODWQVSGBPYNGMN-UHFFFAOYSA-N 442.950 6.236 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ccccc4N(C(C)=O)[C@H](c4ccco4)C3=C(O)C2)cc1 100429428 UWZCCBFSICZUSI-WXTAPIANSA-N 428.488 5.858 0 40 IKAB CCc1ccc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)cc1 113965803 NYTBBKKOYDOHGW-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB CCCC[C@H](CC)COc1cc(Br)c(OC[C@H](CC)CCCC)cc1C=O 117848722 SBIYPVFZPRKKOC-RBUKOAKNSA-N 441.450 7.452 0 40 IKAB O=C(Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1)c1cccc(-n2cccn2)c1 206891953 VZOOTLBTIQLHLD-UHFFFAOYSA-N 438.516 5.387 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1 216443938 YKKJMEKKFBHHKE-LJQANCHMSA-N 431.273 5.241 0 40 IKAB CC(C)c1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)cc1 218803403 FHUJEAXNAOXHEO-UHFFFAOYSA-N 442.606 5.035 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)CCCN2C(=O)c3cccc4cccc2c34)cc1 219471260 NWNKDRLORCGMCE-HSZRJFAPSA-N 430.548 5.492 0 40 IKAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O 222384917 CYAREDXEGASCEI-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 222627766 SXOGLVMTJDOINX-UHFFFAOYSA-N 441.745 6.792 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 223465738 QFYWGECKGHCMFX-NRFANRHFSA-N 446.591 5.115 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccc(N2CCCC2)nc1 223997662 WIDTXCYUNMKPGU-UHFFFAOYSA-N 429.033 5.524 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(F)c2)cc1COc1ccc(-c2ccccc2)cc1 224553836 YZNBFTABGWAIKU-UHFFFAOYSA-N 441.502 6.723 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(F)c1 224576240 DURUBFTXRVWTKH-DNQXCXABSA-N 444.535 5.197 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2O)c(C)n1C1CCCCC1 224600197 HNFFKWAMFXJDJS-LOSJGSFVSA-N 446.620 5.888 0 40 IKAB Cc1cccc(CSCC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224674878 UXUWLHZYUSQSCY-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(F)cc3)o2)cc1 224927112 VJAFCNBACLCUMI-UHFFFAOYSA-N 430.435 5.577 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225193349 NJWRCJDIQWYLPD-NRFANRHFSA-N 435.395 5.178 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225245506 QBYBSQUGJPBDKI-HUUCEWRRSA-N 439.358 5.007 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1O[C@H](C)CC 225758722 JKHWHPCJHYWZQB-HXUWFJFHSA-N 437.580 6.190 0 40 IKAB Cc1cc(N)ccc1NC(=O)/C=C/c1ccc(-c2ccc(Cl)cc2Br)o1 227146046 OHUNANKKVPPALO-WEVVVXLNSA-N 431.717 5.905 0 40 IKAB Cc1cc2occ(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)c2cc1C 257278186 OBFGIMIJDOLZPR-IYARVYRRSA-N 449.576 5.794 0 40 IKAB O=C(O)c1cnc([C@H]2CCCCN2Cc2ccc(Cl)cc2)nc1CCCc1ccccc1 257315138 VAALMFQOZWDKHQ-XMMPIXPASA-N 449.982 5.731 0 40 IKAB COc1cc(C(=S)NCc2ccccc2)ccc1OCc1ccc(Br)cc1 408574885 MZVCMOPODLKQFC-UHFFFAOYSA-N 442.378 5.502 0 40 IKAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 408602329 CYELSGZPYKNTDU-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Clc1ccc(NCc2cc(Cl)ccc2OCc2cccc3ccccc23)c(Cl)c1 408613605 YSXJPMCMMGXGDB-UHFFFAOYSA-N 442.773 7.991 0 40 IKAB O=C(O)/C(=C/c1ccc(Br)cc1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632394 FLOOWXFZTJFSGL-ZROIWOOFSA-N 436.718 5.105 0 40 IKAB O=C(COC(=O)[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1C(=O)c1ccccc1)Nc1ccc(Cl)c(Cl)c1 408655801 LQRINRQMINOOPY-LATRNWQMSA-N 446.330 5.020 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)c1 408672648 OJSKKYUMNQTNRQ-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2ccc(Cl)cc2)cc1C 408698815 SBBRPFSGZGTLQG-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(O)c1ccc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)o2)cc1Cl 408820159 VRAAJRLBALQWEO-UHFFFAOYSA-N 426.881 5.554 0 40 IKAB O=C(NCCSCc1ccccc1Cl)/C(=C/c1ccccc1Cl)c1ccccc1 408907769 RAXGXIZFWHKNDZ-LTGZKZEYSA-N 442.411 6.584 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N([C@@H](C)CC)C2=O)ccc1OCc1cccc(C)c1 409012689 RHVVRJVMJJDNPX-NIZGNDASSA-N 425.550 5.808 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409057100 OYOWKMSEKCQPKI-IWIPYMOSSA-N 429.541 6.119 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1cccc(Cl)c1 409167079 JBWOFAHUKXIGEO-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3cn(Cc4cccc(C)c4)c4ccccc34)C2=O)c1 409240028 PGDAIAOZIHHTOV-MFKUBSTISA-N 435.527 5.399 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3ncc(C(=O)Nc4ccc(F)c(Cl)c4)c3n2)cc1 848659 NIFKAXCGKLSTGD-UHFFFAOYSA-N 448.807 5.768 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)Nc3ccccc3)c(=O)[nH]c2c1C 884545 SSENLEZFURVVRC-UHFFFAOYSA-N 433.602 5.606 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccc(F)cc1)N(Cc1cccs1)C(=O)c1ccco1 1341688 OHGLSKYSXVXYKF-JOCHJYFZSA-N 440.540 5.313 0 40 IKAB Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc23)c1 2079377 SCJUKKHPLZYOED-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB Cc1ccc(-n2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1Cl 2246876 RLJVVGPEBFDJFJ-UHFFFAOYSA-N 426.951 6.895 0 40 IKAB CCCCOc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)c1 2259112 INBZXUNQQAXRJG-UHFFFAOYSA-N 448.548 5.353 0 40 IKAB CCOc1cccc(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 2288087 RPCRTUGMNGPXFU-UHFFFAOYSA-N 434.923 5.585 0 40 IKAB CCOC(=O)c1c(NC(=O)Cc2cccc(OC)c2)sc2c1CC[C@@H](C(C)(C)C)C2 2317690 RYJPZEZVNCDUMS-MRXNPFEDSA-N 429.582 5.266 0 40 IKAB Cc1cccc(C)c1OCCOC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 2664828 PFXNQLHUGOMTNM-UHFFFAOYSA-N 426.965 6.485 0 40 IKAB Cc1ccc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 3327679 PRZIHORURBNXRZ-UHFFFAOYSA-N 433.964 6.180 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3ccccc3)cc2)ccc1OCc1c(C)noc1C 3425857 GNNLDLGIXSHCNJ-UHFFFAOYSA-N 444.487 5.924 0 40 IKAB Fc1ccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2C[C@@H]2CCCO2)cc1 3444987 FAVHZOBQADFOEC-IBGZPJMESA-N 436.512 5.211 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109872 QGSQIJJYBAQTRU-UHFFFAOYSA-N 428.454 5.866 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1Cl 4786793 SMIDDVWKIBVAOA-QHCPKHFHSA-N 444.922 5.626 0 40 IKAB Cc1ccc(-c2nnc(SCc3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1 6627515 BSXULMFLXHYYIS-UHFFFAOYSA-N 427.617 7.141 0 40 IKAB CCN(CC)c1ncc2c(NCc3ccccc3)nc(SCc3ccc(F)cc3)nc2n1 8453273 PYJSLDPSCOAVPK-UHFFFAOYSA-N 448.571 5.310 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)cc1Cl)c1ccco1 8606525 XWDUMSPJTGLNDJ-UHFFFAOYSA-N 428.319 5.347 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccc(Cl)cc4)c(C)c3cc12 8612869 NDWGKKLMFWNGBC-UHFFFAOYSA-N 437.923 5.409 0 40 IKAB CCN(C(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc12 8894213 GWECTBNDLUJBAH-UHFFFAOYSA-N 434.590 5.640 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 8917828 AVKOXLQFEXCUQS-SBRUMCDPSA-N 447.575 5.447 0 40 IKAB biogenic Cc1ccc(CN2C(=O)[C@@](O)(c3c[nH]c4ccccc34)c3cc(Br)ccc32)cc1 8923742 MDAMXHMDIYRBNY-DEOSSOPVSA-N 447.332 5.022 0 40 IKAB CCN1C(=O)c2cc(NC(=O)c3cccc(Br)c3)ccc2Oc2ccccc21 9134673 SJDOTVBWKFNOQZ-UHFFFAOYSA-N 437.293 5.474 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)n1 9640363 MFDIWERLWPLVNU-QHCPKHFHSA-N 431.586 5.511 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)c3c2cnc2cc4c(cc23)OCO4)cc1 9675943 GLWLFHITJSKXKM-UHFFFAOYSA-N 435.527 6.575 0 40 IKAB O=C(Nc1ccccc1)c1ccc(CSc2nnc(N3CCCCC3)n2C2CC2)cc1 11372796 DQCHIMGAEPSFOA-UHFFFAOYSA-N 433.581 5.148 0 40 IKAB COc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN23)cc1 12193114 HEHATUBMJXRNOU-GGAORHGYSA-N 435.321 5.700 0 40 IKAB CC1=C(C(=O)Nc2ccc(Br)cc2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 12564448 SDHHLYWETFXGJH-LJQANCHMSA-N 442.357 5.013 0 40 IKAB Cc1cc(NC(=O)[C@@H](SCCOc2ccc(Br)cc2)c2ccccc2)no1 12576656 MRPNFCKJHOWKRQ-IBGZPJMESA-N 447.354 5.238 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)no1 12909105 LERASWDCOYWTOP-UHFFFAOYSA-N 444.488 5.324 0 40 IKAB O=C(Nc1ccc2c(c1)-c1ccccc1C2)c1ccccc1SCC(=O)N1CCCC1 12989244 GJMZTQCISPMPCK-UHFFFAOYSA-N 428.557 5.225 0 40 IKAB CN(CC(=O)Nc1ccccc1Br)C(=O)c1ccc(-c2ccccc2Cl)o1 12998848 NTXPGVNMXRMHJG-UHFFFAOYSA-N 447.716 5.073 0 40 IKAB CCc1nc(SCC(=O)Nc2nc3ccc(OC)cc3s2)c2c(C)c(C)sc2n1 13027907 UFDVBYXWISPYJK-UHFFFAOYSA-N 444.607 5.220 0 40 IKAB CCOc1ccc(CN(C)[C@H](C(=O)Nc2cc(Cl)cc(Cl)c2)c2ccccc2)cc1 13040088 SCMIRVZYSAGZDU-QHCPKHFHSA-N 443.374 6.204 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 13057100 RQIZSHRBFCRCBE-HUUCEWRRSA-N 434.989 5.162 0 40 IKAB CCOC(=O)c1ccc2c(c1)nc(/C=C(/OC(=O)c1ccccc1)C1=CC=CCC1)n2CC 13102431 GYYIAXBEUGLXCA-HKOYGPOVSA-N 442.515 5.707 0 40 IKAB Cc1ccccc1Cn1cc(-c2ccccc2)nc1SCC(=O)Nc1ccc(Cl)cc1 13568326 FQGSKQPTUCHSOE-UHFFFAOYSA-N 447.991 6.291 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1CCc2cc3c(cc2[C@@H]1C)OCCCO3 13591094 NPPGSPFNOVZZNR-KBPBESRZSA-N 436.335 5.068 0 40 IKAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccc1Br)nn3CC(C)C 13770335 SDCQYAMZSRAVNT-UHFFFAOYSA-N 437.341 5.564 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc2ccccc12 13879604 VPKUWLMFSKDSLX-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3c(C)cc(C)cc3C)cc2)c1 13936288 CNQJKIDJHVDCNV-UHFFFAOYSA-N 439.606 5.530 0 40 IKAB COc1ccc(NC(=O)c2ccc3nc(-c4ccsc4)c(-c4ccsc4)nc3c2)cc1 13992111 VQWZYDNQAOFAPY-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB Cc1cc2c3c(c1)[C@]1(NC(=O)c4ccccc4N1)C(=O)N3C1(CCCCCC1)CC2(C)C 14162470 YENBZWPEFDLKBM-MHZLTWQESA-N 429.564 5.124 0 40 IKAB Cc1cccc(C(=O)N2CCC(CCCC3CCN(C(=O)c4cccc(C)c4)CC3)CC2)c1 16349064 YGLDXFXVCNDOHO-UHFFFAOYSA-N 446.635 5.878 0 40 IKAB CCc1ccc2oc(-c3ccc(Cl)c(NC(=O)c4c(OC)cccc4OC)c3)nc2c1 17100831 OGDSTCOQMBEOOD-UHFFFAOYSA-N 436.895 5.980 0 40 IKAB Cc1ccccc1C(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(F)c(F)c2)CC1 19236858 BDULMTXJSHMADV-VWLOTQADSA-N 435.518 5.052 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 19637068 LOXIPFICLOBXFJ-WBVHZDCISA-N 442.625 5.529 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4[nH]3)c2)c1 19691997 BODQDRGWZYSEME-SANMLTNESA-N 438.575 5.462 0 40 IKAB COc1ccc(-c2c/c(=N\CCCCCCCCCCC(=O)O)c3cc(C)ccc3o2)cc1 19911709 WINGXIPGQAZCKZ-XLVZBRSZSA-N 449.591 6.913 0 40 IKAB COc1ccc([C@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454900 GLTTWGVHQURKCX-LJAQVGFWSA-N 439.603 5.516 0 40 IKAB Cn1ccnc1[C@@H](NC(=O)c1ccc(-c2ccc(F)cc2)s1)c1ccc(Cl)cc1 22749859 MPZSBFVFORCDFU-FQEVSTJZSA-N 425.916 5.461 0 40 IKAB Cc1ccc2c(C)c(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)oc2c1 32594248 GDBDDRAOEVQMJO-UHFFFAOYSA-N 434.340 5.644 0 40 IKAB O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)SC(=S)N1Cc1ccco1 35039965 DXGSWBWWPOMYIW-MFOYZWKCSA-N 446.893 5.503 0 40 IKAB O=C1N/C(=N\c2ccc(Cl)cc2C(F)(F)F)S/C1=C/c1ccc([N+](=O)[O-])cc1 35647784 YZQHVYNHDQQXBP-VGOFMYFVSA-N 427.791 5.159 0 40 IKAB COc1ccc(C[C@]2(C)CN(C(c3ccccc3)c3ccccc3)CCN2C)cc1OC 38655326 HBIDWFPFQACMBQ-MUUNZHRXSA-N 430.592 5.042 0 40 IKAB in-man FC(F)(F)c1ccc(N2CCCN(Cc3csc(Nc4ccccc4)n3)CC2)nc1 39992460 RPRORBUJBFHGRZ-UHFFFAOYSA-N 433.503 5.013 0 40 IKAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(OCc2nc(-c3ccco3)cs2)cc1 49032343 AUWXWLXTDBAYMR-UHFFFAOYSA-N 443.528 5.436 0 40 IKAB O=C(Nc1ccc2c(c1)CN(C(=O)c1cccs1)CC2)c1csc(-c2ccccc2)n1 49510994 OTEIKRHVKRLLJG-UHFFFAOYSA-N 445.569 5.322 0 40 IKAB CC[C@H](Sc1nnc(-c2cc3ccccc3o2)n1C(C)C)C(=O)NC1CCCCC1 57291811 LKCKCKSDCYUTOG-FQEVSTJZSA-N 426.586 5.592 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 57428534 GMTKOFZKTSCVIK-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNc1cc(Cl)ccc1N1CCCCC1 57574274 CPYUFSVOCWVIPM-MRXNPFEDSA-N 443.016 5.572 0 40 IKAB CCOc1ccc(-c2noc(CCC(=O)N3CCC[C@H]3[C@@H](CC)c3ccccc3)n2)cc1 71844213 ZXJKIBLFDXDDCM-GOTSBHOMSA-N 433.552 5.253 0 40 IKAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(c3ccccc3F)C3CCCC3)c12 72300864 QVGRIRIQXISAIJ-UHFFFAOYSA-N 434.559 6.101 0 40 IKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(C(F)(F)F)c1)c1nc3ccccc3nc12 100867626 KXQIQCTYFATIJT-DHIUTWEWSA-N 425.454 5.616 0 40 IKAB COc1cc([C@H]2C3=C(O)CCCC3=Nc3c2c(C)nn3-c2ccccc2)cc(OC)c1O 102718906 CVVXFOSGVKKCCL-JOCHJYFZSA-N 431.492 5.118 0 40 IKAB C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1)c1nnc(SCc2ccc(F)cc2)n1C 106382012 DYZYSUAZINCIAS-NSHDSACASA-N 439.343 5.044 0 40 IKAB COC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 118916590 WHMGDIMLSAAHJQ-MSPKVBQNSA-N 444.700 8.179 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C(C)C)cc1 222674817 IEKLQYYYIYUGSL-MRXNPFEDSA-N 435.395 5.213 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4ccc(C(F)(F)F)cc4)ccc32)c1 223084017 AXKNVBZHBBLAPO-UHFFFAOYSA-N 438.449 5.859 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 223180756 MXUCHGMEJSIZDS-LJQANCHMSA-N 445.003 5.176 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC1CCCC1 223785327 AGBSYHXDJMZGOL-QFIPXVFZSA-N 434.624 5.527 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 223817470 XEONFUPKWRTFJI-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB CC(C)c1ccc(CN(C)C(=O)c2cccc(S(=O)(=O)Nc3ccc(F)cc3)c2)cc1 224080871 CSCYIMOWVJVGCT-UHFFFAOYSA-N 440.540 5.022 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224848093 IYJZGMPHRUCIRQ-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CCCN(c1ccccc1-c1ccccc1)S(C)(=O)=O 224902379 ZQOZTUAWUVLFBU-OAQYLSRUSA-N 444.641 5.232 0 40 IKAB Cc1ccc(OC[C@@H](C)NC(=O)/C(=C/c2cccs2)NC(=O)c2ccccc2C)cc1C 224952110 UWNDEUSRPWLYLX-ZOLHPDHPSA-N 448.588 5.028 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2nc3ccccc3s2)N1C1CCCC1 225008614 MQHGUUQMXCNBOK-FGZHOGPDSA-N 445.617 5.397 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCCCN3C[C@H]3CCOC3)nn12 247695708 ZZEZIEAAAHYMJO-PBHICJAKSA-N 436.503 5.040 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609378 PECVQXJSAFWCOS-SHOSRCSMSA-N 446.716 6.822 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@@H](Cc2cccc3ccncc23)CC1 257270252 MTILAVRQORUMKU-HXUWFJFHSA-N 437.547 5.253 0 40 IKAB Cc1cc(C)c(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(Cc3ccccc3)n2)c1 257315169 VAFALPJMGZRZPV-UHFFFAOYSA-N 430.479 5.485 0 40 IKAB COc1ccccc1CNC(=S)c1ccc(OCc2ccccc2Cl)c(OC)c1 408572067 FCDRIJFCXNGKED-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2C)ccc1OCc1ccc(C)cc1 408611023 POYLVYSXLLQGPQ-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB CCCc1sc(NC(=O)c2ccc(-c3ccccc3)cc2)nc1-c1ccc(C)c(C)c1 408836423 RANVXVSOZKLYNK-UHFFFAOYSA-N 426.585 7.299 0 40 IKAB Cc1cc(OC(=O)c2ccc(COc3ccc(Br)cc3)cc2)cc(C)c1Cl 409179315 LWVIWPJGUYGKDQ-UHFFFAOYSA-N 445.740 6.518 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3cc(C)cc(C)c3)C2=O)c2ccccc21 409345779 LLJPXDJJFQEVNG-XKZIYDEJSA-N 447.560 5.343 0 40 IKAB CCCc1ccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)cc1 585265980 WRGGIOOZOVCEEN-UHFFFAOYSA-N 439.939 6.419 0 40 IKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)N2NC=NC2=N3)cc1 651512 QLHUSOZUPUCYAY-DNQXCXABSA-N 426.907 5.453 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 900854 OXRAUTPDGIFVRT-AWEZNQCLSA-N 445.466 5.484 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)c1ccc(Cl)s1 925167 FWYWKJDIYRJXCF-UHFFFAOYSA-N 439.993 5.607 0 40 IKAB Cc1cc(C)c2c(N)c(C(=O)N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)o3)sc2n1 1016804 OJLVBDKQOUSJJN-GOSISDBHSA-N 430.533 5.388 0 40 IKAB O=C1c2ccccc2N[C@]2(C(=O)N(Cc3ccccc3F)c3ccccc32)N1c1ccccc1 1100948 SHBSECZDPRPYCH-NDEPHWFRSA-N 449.485 5.298 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1C(=O)c1ccco1)Nc1ccc(Cl)cc1 1224389 PPBJEQHJGDXXRT-UHFFFAOYSA-N 437.908 5.216 0 40 IKAB C[C@H]1O[C@@H](n2c3ccccc3c3ccccc32)[C@@H](C)O[C@@H]1n1c2ccccc2c2ccccc21 1758740 FPILFFLXHSKNOF-YVZLHCJQSA-N 446.550 7.424 0 40 IKAB CCCCCCC(=O)N[C@@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl 1787080 VLPDDRIVWSQPPX-CQSZACIVSA-N 430.601 5.644 0 40 IKAB CCOC(=O)c1c(C)oc2cc(Br)c(OCc3ccc(F)cc3Cl)cc12 1810439 NYMPSUGMQVWGEV-UHFFFAOYSA-N 441.680 6.052 0 40 IKAB biogenic Cc1ccc2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)CNc1ccccc1C 1831046 QNHQBSSWBDQOCE-SANMLTNESA-N 446.594 7.065 0 40 IKAB COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2cc(Cl)ccc2C)C4)cc1 2114210 DOMSCHDFIJUAOZ-UHFFFAOYSA-N 433.891 5.787 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccc(C(C)(C)C)cc2C)cc1 2197981 DZTHRRFBQHVPIN-UHFFFAOYSA-N 442.559 5.757 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)NC(c1ccccc1)c1ccccc1 2644203 CXTJRZFITQOSAV-UHFFFAOYSA-N 432.574 5.280 0 40 IKAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3247040 PXXBVQOQTYNKNC-INIZCTEOSA-N 430.529 5.710 0 40 IKAB O=C(O[C@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccccc1O 3247223 SYPOBDLKJSAJCP-IBGZPJMESA-N 449.812 5.601 0 40 IKAB CCN(C(=O)COC(=O)C1(c2ccc(Cl)cc2)CCCC1)c1cccc2ccccc12 3247412 ZXYJZVYNWIRFOQ-UHFFFAOYSA-N 435.951 5.901 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(Nc3c(C)cccc3C)s2)c1 3266833 RYAZTSAFRCFFEN-HNNXBMFYSA-N 426.567 5.220 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccnc3Cl)nnc2-c2ccccc2)cc1C 3430388 IBYYHCJRDWQJHP-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)nnc1-c1ccc(Cl)cc1 6878421 CLGLUZVUKNMQLV-UHFFFAOYSA-N 440.878 5.368 0 40 IKAB COc1ccc(C2=NN(c3cc(Cl)ccc3Cl)[C@@H](c3ccc(Cl)cc3)C2)cc1 6924931 MDMQPGTXAQYNIG-OAQYLSRUSA-N 431.750 7.011 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)cc1 8902783 WUPLEZBDUVDLTD-UHFFFAOYSA-N 435.505 5.429 0 40 IKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(OCc4ccccc4)cc3)c3ccccc3n2)cc1 9057070 YYDMVCFEWVDBRP-UHFFFAOYSA-N 445.518 7.008 0 40 IKAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3cc(-c4ccccn4)nc4ccccc34)n2)C1 9112181 LSZAFAWVLOUIQA-QGZVFWFLSA-N 443.576 5.238 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)Nc1ccc(F)c(F)c1F 9189579 SZKCIGXKDHUYNO-UHFFFAOYSA-N 440.450 5.082 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccnc3)sc2c1 9267151 ZOCUZXZWQZWRLS-NRFANRHFSA-N 439.496 5.164 0 40 IKAB Clc1ccccc1[C@H]1C[C@@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9291886 HQRPJHDTNALSAM-PZJWPPBQSA-N 438.756 6.599 0 40 IKAB CCCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(c1ccc(Br)c(C)c1)C3 9308277 OHQTWVGZXCMQDS-UHFFFAOYSA-N 448.744 5.826 0 40 IKAB COc1ccc(-n2c(COc3ccc(C)cc3)nnc2SCc2ccc(C)cc2)cc1 9309104 VHFCUOAQNNKNPA-UHFFFAOYSA-N 431.561 5.764 0 40 IKAB O=C1N[C@]2(Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)/C(=C/c2ccc(F)cc2)S1 9431872 PYVPNZPPRXQWOV-VYGFSGDLSA-N 443.503 5.521 0 40 IKAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc(OC)c1OCc1ccccc1 9516931 DOIUUTIISHPNCS-VWLOTQADSA-N 430.504 5.012 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OC[C@H]2CCCO2)cc1 9593121 WUHQCHHDFDTNSW-LJQANCHMSA-N 430.529 5.773 0 40 IKAB Cc1cc(C)cc(N2C(=O)N(Cc3ccc(Cl)cc3)c3ccccc3S2(=O)=O)c1 9663649 XOJJYINRDHFXRV-UHFFFAOYSA-N 426.925 5.292 0 40 IKAB O=C(Nc1ccccc1SCc1ccccc1)c1ccc(OCc2cscn2)cc1 9726103 YKBPNCIEYGUDRO-UHFFFAOYSA-N 432.570 6.267 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cc(-c3ccc(F)cc3)nc3onc(C)c23)cc1 9734057 CXGPQJJMWSUEQJ-UHFFFAOYSA-N 446.482 5.072 0 40 IKAB CC1CCN(C(=O)Cn2c(SCCOc3ccccc3Cl)nc3ccccc32)CC1 12062275 UVYYJAUVFBGBLH-UHFFFAOYSA-N 444.000 5.119 0 40 IKAB CC(C)(C)c1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc5ccccc5c4)=NN32)cc1 12195398 XLAVZOQIROYJGL-LMSSTIIKSA-N 432.567 7.380 0 40 IKAB CCCc1ccc(OCc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)o2)c(OC)c1 12411452 JEGLFSWXKBIVDE-UHFFFAOYSA-N 447.575 5.915 0 40 IKAB Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)c2ccc(-c3ccccc3)[nH]2)C2CCCC2)o1 12715415 DSUIKWINIRPXHX-DEOSSOPVSA-N 447.579 5.624 0 40 IKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1cccc(Cl)c1 12938969 WHLZYNNTLRTZQS-UHFFFAOYSA-N 426.904 5.029 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 12998103 BNYZLSUASYOCDO-UHFFFAOYSA-N 434.348 5.136 0 40 IKAB Cc1cc(C(=O)COC(=O)c2c3c(nc4ccccc24)CCCC3)c(C)n1Cc1ccco1 13141979 UOFVZIHZZRDYGX-UHFFFAOYSA-N 442.515 5.213 0 40 IKAB Cc1ccc(-c2noc(CCCCCNC(=O)Cc3c(Cl)cccc3Cl)n2)cc1 13146170 PIGXRIZYUYTPQM-UHFFFAOYSA-N 432.351 5.424 0 40 IKAB O=C(COc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(SC(F)F)cc1 13150019 XKMVIQJOZXLMDX-UHFFFAOYSA-N 443.500 5.691 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 13372391 DUGLTLMDHNBYFE-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CCC3)cc2c1 13562025 WWQNYNWCVKGAIN-UHFFFAOYSA-N 441.402 6.530 0 40 IKAB O=C(CC(c1ccccc1)c1ccccc1)Nc1ccccc1C(=O)NC1CCCCC1 13686698 DWIFDESQTWYUEX-UHFFFAOYSA-N 426.560 5.910 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 13899001 YDQHEENCFYTWHZ-UHFFFAOYSA-N 442.049 6.604 0 40 IKAB Cc1ccc(NC(=O)NC[C@H]2C[C@@H](CNC(=O)Nc3ccc(C)c(C)c3)C2(C)C)cc1C 16312494 RGFFSHQHUIVXTQ-OYRHEFFESA-N 436.600 5.526 0 40 IKAB CCOc1cc(CNC[C@H]2CCCO2)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16688568 SKKPWNNQUMJUMM-QGZVFWFLSA-N 444.786 5.893 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1 16837310 DAXVJCYEADXQHM-UHFFFAOYSA-N 445.525 5.612 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)cc1 17099276 HFGWIBYEUCARSZ-INIZCTEOSA-N 434.923 6.679 0 40 IKAB Cc1ccc(CCC(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)s1 19217138 GALLFVFNENFPJU-UHFFFAOYSA-N 449.624 5.068 0 40 IKAB O=C(NCCc1ccc(Cl)cc1)C1(Cc2ccccc2-c2ccncc2)CCOCC1 19348527 BRRORZUYDULPJG-UHFFFAOYSA-N 434.967 5.100 0 40 IKAB CC(C)CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 19446682 IQLQYDGKGCAMOU-HSZRJFAPSA-N 434.411 5.504 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2-c2nc3ccccc3s2)cc1Cl 19637773 FTWMFWHXMIZEGL-UHFFFAOYSA-N 443.355 6.921 0 40 IKAB O=C(c1ccc(F)cc1)N1C(=S)C(c2ccc(Br)cc2)=NC12CCCC2 20152219 YGGZKISJOQMBOZ-UHFFFAOYSA-N 431.330 5.131 0 40 IKAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20495529 GWSYGNSTSJKZMM-XMMPIXPASA-N 429.560 6.320 0 40 IKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(Cl)cc4Cl)cc3)nn12 20609758 VSVKGSMXCNEFSZ-UHFFFAOYSA-N 432.336 5.364 0 40 IKAB CN(C)P1(N(C)C)=NC(NN(c2ccccc2)c2ccccc2)=NC(c2ccccc2)=N1 25501456 ALRNNVCMRJEFEC-UHFFFAOYSA-N 445.511 5.215 0 40 IKAB O=C(/C=C/c1ccccc1)N[C@H](Nc1cc(Cl)ccc1Cl)C(Cl)(Cl)Cl 28294022 MGUBUHKGXVOFKC-FSNWXROXSA-N 438.569 5.931 0 40 IKAB CC(C)(C)c1ccc([C@@H](CNC(=O)c2cc(=O)c3ccccc3o2)N2CCCCC2)cc1 28402842 GRMNLNOYPVOFEH-JOCHJYFZSA-N 432.564 5.048 0 40 IKAB O=C(CCc1nnc(-c2ccccc2)o1)Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1 29794436 ARBOJHFDTMLOGB-UHFFFAOYSA-N 434.565 5.232 0 40 IKAB CC(=O)N[C@H](CC(=O)Nc1ccccc1CN(C)C1CCCCC1)c1ccc(Cl)cc1 32900678 QVPQTYDPYCGFOS-XMMPIXPASA-N 442.003 5.311 0 40 IKAB Cc1c(-c2ccccc2)sc2ncn(Cc3noc(-c4ccccc4Cl)n3)c(=O)c12 32908881 KHUSUGJFHVDCEA-UHFFFAOYSA-N 434.908 5.185 0 40 IKAB CCOC(=O)C1=C(C)N(c2ccccc2)C(SC)=N[C@@H]1c1ccc(Br)cc1 33541837 GSMHKBYHQMMORD-LJQANCHMSA-N 445.382 5.567 0 40 IKAB C[C@@H]1[C@@H](c2ccccc2)N(C2CCCCC2)C[C@@H](C(=O)c2ccccc2)[C@@H]1c1ccccc1 35930595 BPODYCZWRPAIBO-UUAGDVGUSA-N 437.627 7.295 0 40 IKAB C[C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccc(F)cc2)cc1OCc1ccc(F)cc1 38501411 XVGKKDHWTBQWEO-IIBYNOLFSA-N 425.479 5.038 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSCc1ccc(Cl)cc1Cl 38771244 XMSUCABHXZXKAV-QGZVFWFLSA-N 432.800 5.854 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1Cl 59056597 OHGNCWPTBJYZQI-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB O=C(Nc1ccc2nc(SCc3cccc4ccccc34)sc2c1)c1ccccc1 59854637 IQNIFMCTDIKOHC-UHFFFAOYSA-N 426.566 6.994 0 40 IKAB Cc1ccc(Cn2cnc3sc(-c4nc(-c5cccc(C)c5)no4)c(C)c3c2=O)cc1 67260273 FGDDMMBMZRXWQM-UHFFFAOYSA-N 428.517 5.149 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5ccc(F)cc5)n4ccn3n2)cc1 67260693 OKNSONJFXACZDH-UHFFFAOYSA-N 447.539 5.654 0 40 IKAB CCO[C@@H]1C[C@@H](O)C12CCN([C@@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 72294855 MCJLBIKREMNEHK-JCURWCKSSA-N 425.413 5.037 0 40 IKAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1 102207406 SOJJWOFKQNSRPW-LLGFUMIMSA-N 429.944 5.017 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(OC(C)C)cc4)Oc4ccc(OC)cc4[C@H]3C2)cc1 102683287 QCMNZZNVOOTKIY-VPUSJEBWSA-N 444.531 5.733 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)c(C)c1 102717379 LIEWMCGEEMYSGL-XPWALMASSA-N 432.907 5.008 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccccc3)c(Br)c2)cc1Cl 106978795 NWWQWJDPRMDYMZ-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222940857 IOXJWWBEKOMBTF-VXKWHMMOSA-N 425.985 5.932 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(F)cc1 222983293 HARLHRCPSUBARB-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccco3)o2)cc1Cl 223364965 MGRQTPPWZXTVQL-XZOQPEGZSA-N 449.963 6.069 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223768828 XRAJEQVHBITZKQ-ZEQRLZLVSA-N 432.593 5.574 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2ccc(C)cc2)c1)c1ccccc1C 224149345 NQWOBIYAOWZDEB-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224200173 ZEHDTRFPTBKKHX-LOSJGSFVSA-N 430.621 6.101 0 40 IKAB CN(c1ccc(C(=O)NC2CCCCCCC2)c(Cl)c1)S(=O)(=O)c1ccccc1 224235543 BPERQYCZTOTAON-UHFFFAOYSA-N 434.989 5.008 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1 225187493 QMCSHWGBMMLCCS-HSZRJFAPSA-N 444.978 5.278 0 40 IKAB O=C(c1ccccc1Cl)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225254250 VQQNBDOSGSNCGG-WOJGMQOQSA-N 431.945 5.867 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225573863 ICTSMWAOTKVJOR-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCC2)cc1C(=O)OCC 225683231 QKZHAKAQSOKOBW-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@@H]2CN(C[C@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)c1ccccc1 245239481 JJYPPLLEFKACEV-ABJPJVEASA-N 449.635 5.412 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 408546752 UZDJETCATGTWDA-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1cccc(C(=O)O)c1 408603682 CHWQGRCXUUVFHZ-UHFFFAOYSA-N 443.135 5.311 0 40 IKAB O=C(O)/C(=C/c1ccc(N2CCCCCC2)o1)Sc1nc(-c2ccc(Cl)cc2)n[nH]1 408632387 FKMUSQDTRNZSIT-LGMDPLHJSA-N 444.944 5.316 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1C 408642967 QDHGKOHKIYQVQU-SFHVURJKSA-N 434.923 5.741 0 40 IKAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 408648558 ZFGCNBUVTAKAFB-UHFFFAOYSA-N 428.463 5.453 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cc(Cl)ccc3C)n2)cc1C 408694031 HLALRPPYBWHFEJ-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Nc1ccc2nc(SCc3ccc(Br)cc3Br)sc2c1 408750736 RBRZWCPRDUQEHK-UHFFFAOYSA-N 430.190 5.696 0 40 IKAB CCCCCCC1=NN(C(=O)COc2ccc(Cl)cc2Cl)[C@](O)(C(F)(F)F)C1 408957972 WSCSURPVTWDNRR-QGZVFWFLSA-N 441.277 5.182 0 40 IKAB CN(C(=S)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1)c1ccccc1 408977243 HVAKPFZGONBNQE-UHFFFAOYSA-N 448.555 5.587 0 40 IKAB O=C1S/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)N1CCc1ccccc1 409008249 XGOQRRPCXILLHA-KQWNVCNZSA-N 433.504 5.684 0 40 IKAB O=C(c1cccc(Cl)c1)N1CCC(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1 409024940 ZQFZKQWHLUJJOS-UHFFFAOYSA-N 446.978 5.421 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)c1ccccc1 409114841 QNOYKWGSEZUCLX-UETJRYKRSA-N 426.560 6.127 0 40 IKAB Cc1c(/C=C2\Sc3ccccc3NC2=O)c2ccccc2n1Cc1ccccc1Cl 409121254 XOSRFPFXCVRONF-OYKKKHCWSA-N 430.960 6.737 0 40 IKAB COC(=O)c1cccc(-c2ccc(/C=C3/SC(=O)N(CC4CCCCC4)C3=O)o2)c1C 409145205 PRIBYZRRULFCPU-FYJGNVAPSA-N 439.533 5.658 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1 409169930 SYXNNRMUMRUZQD-ODLFYWEKSA-N 446.366 5.720 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Oc3ccc(C4CCCCC4)cc3)cc2)cc1 409179008 JIAOISKVWUOCEY-UHFFFAOYSA-N 448.584 6.236 0 40 IKAB CC(C)n1c([C@@H]2CCCN2C(=O)C[C@@H](c2ccsc2)n2cccc2)nc2ccccc21 524735508 GQAKJZTVKXZKKR-GOTSBHOMSA-N 432.593 5.823 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(C(F)(F)F)nc2C)Cc2ccccc21 643553386 QLVLVWKSKYEOCV-UHFFFAOYSA-N 447.501 5.368 0 40 IKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@H](O)CC[C@]4(CO)[C@@H]3CC[C@]12C)C(C)C 1547208767 BYLDLYWTMFKRNR-WPDZAIAGSA-N 430.717 6.997 0 40 IKAB Nc1c(C(=O)Nc2c(F)cc(F)cc2Br)sc2nc3c(cc12)CCCC3 691540 IUNAAXKOQFRGCP-UHFFFAOYSA-N 438.297 5.050 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4ccc(Br)o4)c3)nc2c1 722603 UVIIIXIQAIOMNT-UHFFFAOYSA-N 425.282 5.973 0 40 IKAB Cc1cccc(NC(=S)N(Cc2cccnc2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 884833 YIAHEPGFVFZWTQ-UHFFFAOYSA-N 442.588 5.248 0 40 IKAB Cc1cccc(NCc2n[nH]c(SCC(=O)N(c3ccccc3)c3ccccc3)n2)c1 892401 FVBVYPVUMHWNNO-UHFFFAOYSA-N 429.549 5.182 0 40 IKAB CCc1cc([C@@H](c2ccc(F)cc2)N2CCN(C)CC2)c(NC(=O)c2ccccc2)s1 1298711 GXDXEDQFFMXWET-HSZRJFAPSA-N 437.584 5.039 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1 2079554 WBOXNTWODVRKQT-UHFFFAOYSA-N 431.333 6.533 0 40 IKAB COc1ccc(C)cc1Nc1nc2ccccc2nc1NS(=O)(=O)c1ccc(C)c(C)c1 2421423 KYIQYIIKRRLGHF-UHFFFAOYSA-N 448.548 5.108 0 40 IKAB CCCCc1ccc(C(=O)N2c3c(C)cccc3[C@@H](Nc3ccccc3C)C[C@@H]2C)cc1 2743035 LMZAHBRNVSYUPS-CUNXSJBXSA-N 426.604 7.238 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1ccccc1C(F)(F)F 2752732 ICWOOCYCSVXKAA-UHFFFAOYSA-N 440.852 7.135 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)C1 2812565 SGHSSVQTCJZYGH-VOIUYBSRSA-N 445.390 6.287 0 40 IKAB O=C(NCCCCNC(=O)c1ccc(Cl)c(Cl)c1)c1ccc(Cl)c(Cl)c1 3087252 BGFXYIZEZAWEAW-UHFFFAOYSA-N 434.150 5.240 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(OC(=O)c2ccccc2Br)cc1 3177067 CIPAQZSLGMKRNY-XSFVSMFZSA-N 448.272 5.013 0 40 IKAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 3332271 QYIFWCLOTNBLSK-INIZCTEOSA-N 427.422 5.408 0 40 IKAB Fc1cccc(-c2nnc(SCc3ccc(F)c4ccccc34)n2-c2ccccc2)c1 3667368 AWYMVEBKPOAUAQ-UHFFFAOYSA-N 429.495 6.658 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 4109875 VJIGZKHNFKUJRC-UHFFFAOYSA-N 426.866 5.675 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 4385051 BIORRPLBPMLISH-OAQYLSRUSA-N 425.532 5.198 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NCc3ccccc3)cc2c1 6197827 RAMHUFRWPSXNFM-UHFFFAOYSA-N 441.600 5.167 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(Cl)ccc3OC)nn2-c2ccccc2)cc1 8917321 GKWFJIDDSMBCOR-UHFFFAOYSA-N 433.895 5.462 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1nnc(-c2cccc(Cl)c2)o1 8922948 XUUDNFXLZNZJTA-AWEZNQCLSA-N 437.956 5.761 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2Cl)cc1 9041165 BYDOMPHLXADNNG-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB Cc1ccc(-n2c(SCc3nnsc3Cl)nnc2-c2ccc(Cl)cc2)cc1 9127248 PRWFUXSHILOLOR-UHFFFAOYSA-N 434.377 5.693 0 40 IKAB O=C(Nc1c(Cl)ccc2nsnc12)c1ccc(-c2cc3ccccc3oc2=O)cc1 9190171 BEIVDJOYNUDATG-UHFFFAOYSA-N 433.876 5.370 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCOc2ccc(C(C)C)cc2)cc1 9190427 PKYAAFCBTAEWPG-UHFFFAOYSA-N 428.532 5.665 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 9200119 KHYOYLKHYAWRAO-QHCPKHFHSA-N 429.472 5.147 0 40 IKAB O=C(CSc1cn(Cc2ccccc2)c2ccccc12)Nc1ccc2c(c1)OCCO2 9391686 MTJCDALOMAXSNE-UHFFFAOYSA-N 430.529 5.192 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2cccc(OC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 9553696 WXPRXIGEXFPUHL-UHFFFAOYSA-N 430.544 6.720 0 40 IKAB Cc1cc(C)nc(SCc2cc(=O)c(OC(=O)c3ccc(-c4ccccc4)cc3)co2)n1 9829271 DQKGFSKSCWEFGP-UHFFFAOYSA-N 444.512 5.225 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)/C=C/c1nc3ccccc3o1)CC2 9831890 KIUDSROEPQUHFG-DBQZHCBRSA-N 440.499 5.033 0 40 IKAB O=C1c2ccc(C34CC5CC(CC(C5)C3)C4)cc2C(=O)N1c1cccc(C(F)(F)F)c1 9892202 ZUPHECXTKHZWHV-UHFFFAOYSA-N 425.450 5.974 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)sc2Cl)csc1-c1ccccc1 11024869 GAFMJABPPUMCNG-UHFFFAOYSA-N 426.346 6.212 0 40 IKAB COc1ccc(CN2C(=O)/C(=C\Nc3ccc4ccccc4c3)c3ccccc3C2=O)cc1 12634182 CRBOGLXDNRPYHN-ONUIUJJFSA-N 434.495 5.484 0 40 IKAB C[C@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N(C)Cc1ccccc1N1CCCC1 12651014 IXOJOGRGSKXZBT-GOSISDBHSA-N 444.604 5.445 0 40 IKAB CCOc1cc(-c2ccc(SC)cc2)c/c(=N\c2ccc(C)c(C)c2)c2c(C)oc(C)c12 12659117 ADQXECKMHWJRTQ-XLVZBRSZSA-N 443.612 7.686 0 40 IKAB biogenic Cc1nc(-c2ccc(CCNC(=O)CCc3ncc(-c4ccccc4F)o3)s2)cs1 12769531 WBGWXKRHYMQXGA-UHFFFAOYSA-N 441.553 5.266 0 40 IKAB COc1ccc(CN(C(=O)COc2ccc(Cl)cc2C)[C@@H](C)Cc2cccs2)cc1 13069343 XXJPEBISIISYMY-SFHVURJKSA-N 443.996 5.757 0 40 IKAB CCOc1ccc(Oc2ccc(NC(=O)CCNC(=O)c3ccccc3Cl)cc2)cc1 13147756 AANWSOALRUZNHP-UHFFFAOYSA-N 438.911 5.290 0 40 IKAB COc1ccc([C@H]2CC(=O)Nc3c2c(-c2ccccc2)nn3-c2ccccc2)c(OC)c1 13518297 QZAJWAVEPFKMJL-OAQYLSRUSA-N 425.488 5.031 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccccc1OC)C3 13638380 JIYZOZGVDYJSEE-INIZCTEOSA-N 447.922 5.117 0 40 IKAB CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)COc1cccc(C)c1 14717363 XAWOKVVCWBSPCO-UHFFFAOYSA-N 448.519 5.062 0 40 IKAB CCCCc1ccc(NC(=O)c2cccn(Cc3ccc(C(F)(F)F)cc3)c2=O)cc1 15882824 AJZJSZYTQUDICJ-UHFFFAOYSA-N 428.454 5.510 0 40 IKAB COc1cc(C(=O)Nc2nc3ccc(C)cc3s2)ccc1OCc1ccc(Cl)cc1 16348717 QYNBYQOTPJIJRP-UHFFFAOYSA-N 438.936 6.098 0 40 IKAB C[C@@]12CC3CC(NCc4cccc(OCc5ccc(Cl)cc5Cl)c4)(C1)C[C@](C)(C3)C2 16606094 ZFBZFWMZBKKWPD-JZHSQQRGSA-N 444.446 7.411 0 40 IKAB C[C@@H]1CN(C(=O)Nc2cccc3ccccc23)CCN1C(=O)Nc1cccc2ccccc12 16609586 VATSMXRAUCMQGX-LJQANCHMSA-N 438.531 5.763 0 40 IKAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)c2cc(Br)ccc2Cl)c1 16637053 YIECYJXUEHFJAI-UHFFFAOYSA-N 430.129 5.747 0 40 IKAB CCCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16638172 OSXOBMPMVMHRBO-UHFFFAOYSA-N 430.803 6.904 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CCN(Cc1ccco1)C(=S)Nc1cccc(F)c1 16977357 AULNLCVFUDWYEC-UHFFFAOYSA-N 425.504 5.789 0 40 IKAB Clc1ccc(CN2CCCN(Cc3ccc(Cl)cc3)C2c2ccc(Cl)cc2)cc1 19319461 JCLDEVAKUVEOBX-UHFFFAOYSA-N 445.821 7.054 0 40 IKAB CCOc1ccccc1Cc1ccc([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)nc1 19688322 YAANRDLXSBGGLZ-NRFANRHFSA-N 435.593 5.164 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCc2nc3ccc(F)cc3[nH]2)n1 19691277 KJQIIIPUGNSCAW-DEOSSOPVSA-N 446.501 5.508 0 40 IKAB COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1nc(N(C)C)ncc1-c1ccc(F)cc1 19694614 YZOHMKRTLIUAJM-QFIPXVFZSA-N 448.542 5.033 0 40 IKAB CC(C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20550343 XOIWLXJBKANNSY-UHFFFAOYSA-N 425.579 5.420 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c(Nc3ccc(OCc4ccccc4)cc3)ncnc21 20661995 CLQNCKFVBRGBDX-UHFFFAOYSA-N 441.922 6.100 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccccc1Cl 21005567 YCBJWAISTHZQFE-HSZRJFAPSA-N 429.907 5.679 0 40 IKAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 21406781 PPTOIIMFZCFKEO-AWEZNQCLSA-N 433.335 5.775 0 40 IKAB Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 30751280 DOAJGDQJIPQZCL-OAHLLOKOSA-N 448.348 5.084 0 40 IKAB CSc1ccccc1NC(=O)COc1ccc(-c2nc(-c3ccc(C)cc3)no2)cc1 32578481 AUOXMKCVODVAJR-UHFFFAOYSA-N 431.517 5.451 0 40 IKAB CN1c2ccc(Cl)cc2[C@@H]2c3ccccc3CCN2[C@@H]1c1ccc(Br)cc1 33794342 AMGMZTUVAGELMP-XZOQPEGZSA-N 439.784 6.199 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(C)c1)c1ccc(C)cc1 38756540 XSQMGRXJFQDOFG-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB CN(C(=O)c1cc(-c2cccs2)nc2ccccc12)[C@@H](c1ccccc1)c1ccccn1 48287567 WSDMMXAVPWTFCS-SANMLTNESA-N 435.552 6.220 0 40 IKAB COc1ccc(NC(=O)Cn2cccc2-c2nc(-c3ccc(Cl)cc3)no2)cc1Cl 57486725 BOAYSAPOVVMWNW-UHFFFAOYSA-N 443.290 5.159 0 40 IKAB Cc1cc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)c(C)n1C1CC1 58161229 DRXYSIQPWPOXKD-UHFFFAOYSA-N 428.580 5.014 0 40 IKAB COc1ccc(C(=O)CSc2nccn2-c2cccc(C(=O)Nc3ccccc3)c2)cc1 67206694 DCZHFGBYDMRTQQ-UHFFFAOYSA-N 443.528 5.108 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cc(C)ccc2C)c1 67216985 QYSUIUHPIJXJGI-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CC(C)OCCCn1c(SCc2cccc(C(F)(F)F)c2)nc2ccccc2c1=O 67259138 CUTVTDOPWIFEMJ-UHFFFAOYSA-N 436.499 5.523 0 40 IKAB COc1ccc(CSc2nnc3c4cc(-c5ccc(C)c(C)c5)nn4ccn23)cc1F 67260652 XQYQOMVNIYGDTL-UHFFFAOYSA-N 433.512 5.101 0 40 IKAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccccc2C)c1 67296951 IVLHSBPFLPBMOE-RFBIWTDZSA-N 426.472 5.403 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72215302 NWRRMNMRXYHLSU-KRWDZBQOSA-N 449.592 5.499 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2C)ccc1OCc1cccc(Cl)c1 95472040 PKHPRUYSOJMIIU-UHFFFAOYSA-N 425.912 5.936 0 40 IKAB Fc1ccc(C2=C[C@H](c3ccc(Cl)cc3)n3nc(-c4ccc(Cl)cc4)nc3N2)cc1 100904625 AHBVEJGRKQGFOL-OAQYLSRUSA-N 437.305 6.447 0 40 IKAB O=C(CN1c2ccccc2N=C2CCCC(O)=C2[C@@H]1c1ccco1)Nc1ccccc1Cl 104017473 CSUYXPULJWRWEX-VWLOTQADSA-N 447.922 6.202 0 40 IKAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 108176474 AYNOQHJIDAAOGJ-UHFFFAOYSA-N 445.780 5.997 0 40 IKAB O=C(COCc1ccccc1)Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl 118077701 MHGDZDGSDWBMKS-UHFFFAOYSA-N 437.706 6.561 0 40 IKAB CC(C)c1ccc(OCC(=O)NCc2ccc(Cl)cc2Cl)c(Br)c1 218870361 WAJWVLVGEZQOJR-UHFFFAOYSA-N 431.157 5.575 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220252891 GRGKSEMHBLLMRR-AWEZNQCLSA-N 443.396 5.218 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 222555700 NHXYNSQEBACPRZ-NRFANRHFSA-N 433.017 5.073 0 40 IKAB COC(=O)c1cn(C(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2ccccc12 222625279 PFCUNISMCYTLGL-UHFFFAOYSA-N 445.346 5.287 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223096514 QRXXFTYVSAFOCO-OAQYLSRUSA-N 426.626 5.119 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 223373728 XPXWMGZSMMBVMA-NHCUHLMSSA-N 444.575 6.015 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c1 223850322 OWDWABFMVXRGTG-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 223993270 LGZKRVQOWWJMKW-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB Cc1cc(NC(=S)NCC2(c3ccc(F)cc3)CCCCC2)ncc1Br 224006710 ZCXPPIXQTONTTD-UHFFFAOYSA-N 436.394 5.480 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCc1cccc2ccccc12 224151377 FVTDTKUSDZVACV-MHZLTWQESA-N 442.603 5.639 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)n1C 224631830 PFZCLHWEHFCFNA-JWQCQUIFSA-N 440.572 5.698 0 40 IKAB COc1cccc(-c2cnc(CCC(=O)Nc3ccccc3Sc3ccccc3)o2)c1 224850139 BHOWNDMPEOHEEH-UHFFFAOYSA-N 430.529 6.073 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224880607 TXKOLGYLWPEOND-GOTSBHOMSA-N 447.947 5.878 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 225171126 CTGUBHRCCQLUQP-HXUWFJFHSA-N 438.587 5.187 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225174618 BCZMPGISUFVYCR-OALUTQOASA-N 447.044 5.463 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)Cc1c(Cl)cccc1Cl 225280924 FMJMUSJHVSLRRS-FQEVSTJZSA-N 439.358 5.009 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCSCc2c(F)cccc2Cl)c1 225368799 IPGUVWUPZKLOTP-UHFFFAOYSA-N 447.384 5.139 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 225585349 PYOWVERGEDJWDU-VGOFRKELSA-N 432.967 5.052 0 40 IKAB Cc1cc(C23CC4CC(CC(C4)C2)C3)ccc1NC(=O)c1ccc(Br)c(N)c1 226303396 QKZBGQDOEBVVRX-UHFFFAOYSA-N 439.397 6.060 0 40 IKAB COc1cc(-c2cc3ccccc3oc2=O)c(Cl)cc1C(=O)O[C@@H]1CCC[C@H](C)C1 226358123 DONFBPZWLZLMAR-GOEBONIOSA-N 426.896 5.858 0 40 IKAB CC(C)=CCC[C@@]1(C)Oc2ccccc2[C@H]2OC[C@]3(CCCN3C(=O)OC(C)(C)C)C[C@@H]21 257234587 GUGKFRMNUTWHMB-MMETVNMOSA-N 441.612 6.431 0 40 IKAB CCCOc1c(Cl)cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OCC 408554275 CEOBOOYVAZVXQY-FQEVSTJZSA-N 426.365 5.960 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C)cc1NC(=O)c1ccc(Cl)cc1 408556649 IWWZCGKQCOJAHV-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)C(=O)[C@H]2C1 408682640 KZJGZDSFVJVGMO-ZBFHGGJFSA-N 429.303 5.091 0 40 IKAB O=C(Nc1ccccc1Cl)c1nc(-c2ccccc2)n(-c2ccc(Cl)c(Cl)c2)n1 408699344 SWHJDPMDENPKCW-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3nc(O)c4c5c(sc4n3)CCCCC5)o2)ccc1Cl 408988592 ILAIIMBPQOWQDG-UHFFFAOYSA-N 440.908 5.944 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)ccc1OCc1ccc(Cl)cc1 409020580 QSFLOHIQONXNRX-KGENOOAVSA-N 448.906 5.415 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccccc3Cl)cc2Br)cc1 409180267 VPZDKYAERFCQAR-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(c1ccc(Cl)c(F)c1)N1CCC[C@@]2(CCCN2c2ncnc3ccccc23)CC1 585100847 YQAPANORYLKLMI-XMMPIXPASA-N 438.934 5.088 0 40 IKAB C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)C(=O)CC[C@]45C[C@]35CC[C@@]12C 1082884045 FQNGHHPZIYLPNI-NRSCEGDNSA-N 440.712 7.348 0 40 IKAB biogenic C[C@@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@H]1C1c3ccccc3C2c2ccccc21 727022 CVKOIJVKLFRETD-SGDKSWKTSA-N 434.322 5.780 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)ccc1OC(=O)c1ccc(C)cc1 1074300 XZJZTKOQMVTUAU-JOCHJYFZSA-N 437.495 5.850 0 40 IKAB COc1ccccc1-n1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1-c1ccccc1 1221445 PYMYETNOPHZFMK-GOSISDBHSA-N 444.560 5.371 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)Nc3ccc(F)cc3)cc2c1 1327179 YZTHDEVOFXKCPS-UHFFFAOYSA-N 443.522 5.506 0 40 IKAB COc1ccc(-c2ccc(Cn3c(C)nc4cc(NC(=O)C(C)(C)C)c(C)nc43)cc2)cc1 1336327 CVSCAMWRCLTRPT-UHFFFAOYSA-N 442.563 5.757 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1ccc(C(=O)c2ccccc2)cc1 1748764 TYWRMIRADYQBQF-UHFFFAOYSA-N 434.520 6.447 0 40 IKAB Cc1ccc(NC2=C[C@@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 1834988 JWNYJCDELWBNQD-QHCPKHFHSA-N 433.349 6.150 0 40 IKAB Cc1cc(C)cc(OCCOCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1 1856641 FRTFRYXNPNIIAC-UHFFFAOYSA-N 448.950 5.429 0 40 IKAB CCCOc1c(Br)cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1OCC 2081247 LLIDTGYUMZPQCT-BOPFTXTBSA-N 448.288 5.120 0 40 IKAB CC(C)CCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)C[C@@H](C(C)C)OC3 2302234 UWXUHXBNNWPPEW-SFHVURJKSA-N 428.623 5.683 0 40 IKAB CSc1nc(NCCc2ccccc2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4 2406783 XFIHYSWVWDLZKW-UHFFFAOYSA-N 434.634 6.228 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O 2410245 UEUFVZZCMZCEKA-HSZRJFAPSA-N 427.500 5.737 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2cccnc2)cc1 2624011 CYKHRGIDKMLEJR-UHFFFAOYSA-N 436.512 5.038 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCCCC(=O)c1ccccc1 2627682 WITSKRHQMWNPTQ-UHFFFAOYSA-N 443.930 6.684 0 40 IKAB Cc1ccc(COc2ccc3c(=O)c(-c4ccc(Br)cc4)c(C)oc3c2)cc1 2667515 NXFWQTPCEVKEDI-UHFFFAOYSA-N 435.317 6.418 0 40 IKAB biogenic FC(F)(F)c1cccc(CSc2nc(Cc3ccc(Cl)cc3)nc3ccccc23)c1 3063730 QXTSEWPMLQJLJU-UHFFFAOYSA-N 444.909 7.185 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(-c3cccs3)cc(C(=O)O[C@@H]3CCCCC3=O)c12 3292261 MWJGNZWJJYXTMF-HXUWFJFHSA-N 431.517 5.126 0 40 IKAB CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1 3643845 HQCWMNGAYJCANW-HXUWFJFHSA-N 445.544 5.641 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655615 FSAVMXYOWKXNHA-UHFFFAOYSA-N 431.463 5.944 0 40 IKAB CC(C)Cn1c(SCC(=O)c2ccc(Cl)cc2)nc2sc3c(c2c1=O)CCC3 8432111 SFZJKXHWGIZLQQ-UHFFFAOYSA-N 432.998 5.231 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1cc(C)c(C)cc1C 8439077 BREJFFGAJSXKDL-UHFFFAOYSA-N 439.577 5.759 0 40 IKAB CCc1ccc2c(c1)[C@@]1(Oc3ccc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN31)C(=O)N2 8717673 CYJJHXZMCITFHC-WIOPSUGQSA-N 429.907 5.251 0 40 IKAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)c1sc2cc(Cl)ccc2c1Cl 8832366 KBMDNMBNMQWAEQ-UHFFFAOYSA-N 441.767 5.950 0 40 IKAB CC(C)(C)[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4cccs4)c4ccccc43)c2C1 8974141 BWHJLSMXQINIPR-OAHLLOKOSA-N 439.602 6.599 0 40 IKAB COc1ccc(-c2c(C(F)(F)F)n[nH]c2-c2ccc(OCc3ccccc3)cc2O)cc1 9187780 VZSFBNGRFPTJNQ-UHFFFAOYSA-N 440.421 6.056 0 40 IKAB COc1ccc2cc(CN(C)C(=O)CSc3nc(C)c(C)n3C3CCCC3)ccc2c1 9198561 AFWIRVCIKIDXMS-UHFFFAOYSA-N 437.609 5.528 0 40 IKAB CSc1nc(NCc2cccnc2)c2sc3nc(-c4ccco4)c4c(c3c2n1)CCC4 9233950 IAFDIPZFTBJDKY-UHFFFAOYSA-N 445.573 5.717 0 40 IKAB CN(C)c1ccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCC4)cc1 9403925 FPWFMGCWFSECQD-UHFFFAOYSA-N 432.549 5.336 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)c1ccccc1Cl 9892143 ASSRRKOODLAXJZ-UHFFFAOYSA-N 437.908 5.284 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2ccc(F)cc2s1 10066529 YSQJCKXYTUAXRG-UHFFFAOYSA-N 428.558 5.034 0 40 IKAB CCCCc1ccc(NC(=O)c2cc3cccnc3n(Cc3ccccc3F)c2=O)cc1 10188147 RLUKGVUBWLUUTJ-UHFFFAOYSA-N 429.495 5.179 0 40 IKAB COc1cccc(Nc2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)s2)c1 10267626 YLLBNUUYFUOKNF-LLVKDONJSA-N 445.595 5.058 0 40 IKAB COc1ccc(NC(=O)c2nc(SCc3cccc(C)c3)ncc2Cl)c(OC)c1 11914531 XDZCSFBAEQNECJ-UHFFFAOYSA-N 429.929 5.000 0 40 IKAB CC1(C(=O)Nc2cccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)c2)CCCC1 12523947 XJQYSPCNUSZTIW-UHFFFAOYSA-N 426.460 5.025 0 40 IKAB O=C(C1CCCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13126622 WWZWIGZHSKBNJC-KRWDZBQOSA-N 435.387 5.275 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 13298332 DOMWKUIIPQCAJU-UBSPVUBISA-N 428.613 5.970 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3ccccc3Cl)c3ccc(C)c(C)c3)c(=O)[nH]c2c1 13661885 QBPWGTVBKKUMAG-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(Br)cc4)cc3n2)cc1 13946123 DENZKLNBFPVDLM-UHFFFAOYSA-N 435.325 5.306 0 40 IKAB CC(=O)Oc1ccc(Br)cc1/C=C/c1ccc2cccc(OC(C)=O)c2n1 15016593 VAPGUTWYXJCQSB-JXMROGBWSA-N 426.266 5.018 0 40 IKAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(Cl)cc1 16195479 NIFWAAXCOTWBHJ-OAQYLSRUSA-N 432.347 5.404 0 40 IKAB CCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(Cl)cc3c2C)cc1OCC 16753268 UIJLCYCMAIFAFD-UHFFFAOYSA-N 441.871 5.494 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(Cl)ccc4o3)c2)c1 17099825 PWXDSALTDRKMNW-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1ncsc1C(=O)N1CCC[C@@H](c2noc3nc(C(C)C)cc(C(F)(F)F)c23)C1 19562103 RQZFQWSNKBOLCO-GFCCVEGCSA-N 438.475 5.150 0 40 IKAB CC(C)(C)c1ccc(OCCNc2ccccc2OCc2ccccc2)c(C(C)(C)C)c1 19738499 CQTNPANULKCZOD-UHFFFAOYSA-N 431.620 7.352 0 40 IKAB COc1ccc(CCN2CN=C(c3ccccc3)N(c3ccc(Cl)cc3)C2)cc1OC 19960700 KJYDSFFGUYNQJP-UHFFFAOYSA-N 435.955 5.084 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c(C)c1 20492454 BFSRDCMGMUZYOD-GOSISDBHSA-N 440.540 5.043 0 40 IKAB Cc1nn(Cc2ccc(F)cc2Cl)c(C)c1NC(=O)Nc1ccccc1C(F)(F)F 20541171 CGZZXWRUOXYLJE-UHFFFAOYSA-N 440.828 6.004 0 40 IKAB CC1=C(C(=O)Nc2ccccc2Cl)[C@@H](c2cccc(O)c2)n2c(nc3ccccc32)N1 21005495 OKLLRPVCFSKTAI-JOCHJYFZSA-N 430.895 5.323 0 40 IKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c3c2cnc2cc(OC)c(OC)cc23)cc1 21017701 MKWATFFVIBZPIU-UHFFFAOYSA-N 429.451 5.406 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1ccc(Cl)cc1 21157524 QWPFIIPABRFFFW-UHFFFAOYSA-N 430.942 5.196 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCOc2ccc(Cl)c(C)c2)CC1=O 21524558 IHWIHDVIFWQVRQ-LJQANCHMSA-N 439.987 5.583 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3sc(N(C)c4ccccc4)nc3C)ccc21 22245513 OMCLJNTWRGLCJU-UHFFFAOYSA-N 440.572 6.600 0 40 IKAB O=C(Nc1nc(CN2CCCCC2)cs1)c1cn(-c2ccccc2)nc1-c1cccs1 22289554 BGSGTMLQLZFUFG-UHFFFAOYSA-N 449.605 5.296 0 40 IKAB CC(C)(C)c1ccc(/C=c2/sc3nc([C@@H]4[C@@H](C=C(Cl)Cl)C4(C)C)nn3c2=O)cc1 27024218 JPSWSTZSCDNWPX-FIOCRVBZSA-N 448.419 5.055 0 40 IKAB Cc1cc(C)cc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)c1 27792538 FDHXXENNNGTWEV-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB COC(=O)c1cc2ccccc2cc1OC(=O)c1csc(COc2ccc(F)cc2)n1 29596726 MLKSUVRNAOXNMA-UHFFFAOYSA-N 437.448 5.020 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1Cl 32116355 WCDQAGDMXALKJA-UHFFFAOYSA-N 439.918 5.476 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccc(F)cc1 33716087 ZSPRAZKCGOGCBK-UHFFFAOYSA-N 444.453 5.895 0 40 IKAB CCn1c(SCC(=O)Nc2cc(F)ccc2C)nnc1-c1cc2cc(Cl)ccc2o1 35124266 PWYKCTSEXLNNKS-UHFFFAOYSA-N 444.919 5.543 0 40 IKAB Cc1ccc(-c2cc3c(SCc4nc(-c5ccccc5)oc4C)nccn3n2)c(C)c1 38652000 MJNNTOAIJFNTRC-UHFFFAOYSA-N 426.545 6.269 0 40 IKAB Cc1oc(-c2cccs2)nc1C(=O)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 40128946 LJEWCZSMTISKOS-AWEZNQCLSA-N 425.535 5.147 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1cc(-c2nc3cc(C)c(C)cc3o2)ccc1C 40717294 KLJFYJKWKDVZKM-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 44856517 IOCGAGAIPYBIBX-QHCPKHFHSA-N 433.423 6.090 0 40 IKAB O=C1S/C(=C\c2ccc(Cl)cc2)C(=O)N1CN(C1CCCCC1)C1CCCCC1 55121113 NBGJQPCTLZZCMF-QNGOZBTKSA-N 433.017 6.301 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1Cl 57487796 IHDUKGWZPYYCKG-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB Cc1ccc2nsnc2c1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2)o1 59392951 QXSJWOSSLHSLNG-UHFFFAOYSA-N 428.926 5.040 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1nnc(-c2ccccc2Cl)o1 89662156 NYMNHIOZXYHXJA-OALUTQOASA-N 446.979 5.144 0 40 IKAB Cc1nn(C)c(NC(=O)N(C)[C@H]2CCc3ccccc32)c1-c1ccc(Br)cc1 95446409 BNFAHTLCBMBBLI-IBGZPJMESA-N 439.357 5.309 0 40 IKAB Cc1ncc(CN2CCCCCC2)c2cc(-c3cc(=O)oc4cc5c(cc34)CCC5)oc12 96116531 IGNABTRSSUDIGA-UHFFFAOYSA-N 428.532 5.774 0 40 IKAB biogenic Cc1ccc(C)c([C@@H](c2ccccc2)N2CCN(C(=O)CCCc3ccccc3)CC2)c1 96183799 QJMCHZJWVNEAAO-GDLZYMKVSA-N 426.604 5.560 0 40 IKAB O[C@@H](c1cc([C@@]23C[C@@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 100135043 KSGMKNOHFWUIIV-PGUPAZBGSA-N 445.434 6.185 0 40 IKAB in-vitro COc1ccc([C@@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1OC 100155739 JNOOFDPCFXLRJZ-DNVJHFABSA-N 445.317 6.066 0 40 IKAB Cc1noc2c1[C@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@@H](c3ccccc3)CC1=N2 102731584 YWUHXCWFBDRRAC-QKKBWIMNSA-N 425.315 6.898 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)c(C)n(-c2ccc(Cl)cc2)c1C 222588196 WBMPAONHIFAGGM-NYDQNWGQSA-N 437.012 6.040 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 222734896 BUNVGRSKFNSHLK-JOCHJYFZSA-N 449.422 5.566 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222824999 YRRNSFXQRRJKBV-KRWDZBQOSA-N 433.017 5.073 0 40 IKAB O=C(NCc1cccc2ccccc12)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 222880156 XTVOLDBTDDRGEQ-UHFFFAOYSA-N 448.610 6.225 0 40 IKAB CCCCc1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 223107821 FEQHSNCWNNSSDH-CQSZACIVSA-N 439.353 5.476 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223268752 IBUAFAQCSNXMIS-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 223721002 BWBUXISXLNPPNY-GOSISDBHSA-N 445.028 5.049 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1COc1ccc(C)cc1 224129181 KMQCOZWMRHCWOI-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB O=C(Nc1ccc(Cc2ccncc2)cc1)c1ccc(OCc2ccccc2Cl)cc1 224276549 NIQZOOPFRGMEOE-UHFFFAOYSA-N 428.919 6.157 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 224327372 PTXVWRXNTXWPAH-ZEQRLZLVSA-N 425.561 5.007 0 40 IKAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)n1-c1cccnc1 224459909 GOGUSEADMKUDBF-XZOQPEGZSA-N 445.979 5.406 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 224657210 BWUPMLVDKAHSRI-DEOSSOPVSA-N 440.653 5.198 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Br)c(C)c2)s1 224918327 OMTXAPCWESOWEA-RTBURBONSA-N 444.423 5.700 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)NCc1ccc(OCc2ccc(F)cc2)cc1 225334780 LDLGCDJAOVEFKX-UHFFFAOYSA-N 432.322 5.961 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1c(Cl)cccc1Cl)c1ccccc1 225350302 LDUNKACYPQIULB-MRXNPFEDSA-N 441.358 6.056 0 40 IKAB Cc1ccsc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225361136 YLRXXCIVPFAFRA-FCHUYYIVSA-N 435.618 5.950 0 40 IKAB CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1 225591132 DPURRVYSEXZCPG-QFIPXVFZSA-N 432.967 5.276 0 40 IKAB C[C@@]1(NC(=O)CCO)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2ccc(C(F)(F)F)cc2)C1 257258191 KSSXVCQWAFEGTD-DYXWJJEUSA-N 441.877 5.209 0 40 IKAB O=C(N1CCC2(CC1)C[C@@H](Oc1ccccc1F)CO2)C1(c2cccc(F)c2)CCCC1 257331695 XTWLERIHRRDOIU-OAQYLSRUSA-N 441.518 5.006 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N2CCC[C@H](C(=O)Nc3c(C)cccc3C(C)C)C2)c(C)c1 408556246 ZTPGTCDYVWLUOF-NRFANRHFSA-N 442.625 5.083 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)Sc1nc2ccccc2[nH]1 408632339 DOIUNVAPIHDXDG-ZDLGFXPLSA-N 431.300 6.348 0 40 IKAB COc1cccc(NC(=O)c2cccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)c2)c1 408670872 JNJORSLSRGQVKB-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3cccc(F)c3)cc2)S1 408818606 XOGWDQJXZKUIQV-UHFFFAOYSA-N 449.527 5.485 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2ccc(Br)cc2)N[C@H]1c1ccccc1 408987161 DVCIGMDEUCOXNG-IBGZPJMESA-N 445.382 5.220 0 40 IKAB CC(C)(C)[C@@H]1CCC2=NN(C(=O)c3ccc(-c4ccccc4)cc3)[C@](O)(C(F)(F)F)[C@@H]2C1 409100716 WECOZJZMIRGIBJ-YOSAUDMPSA-N 444.497 5.879 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)c1 409108589 VKOCQFSAYVJNCS-UHFFFAOYSA-N 427.360 6.237 0 40 IKAB COc1cc(CNc2ccccc2C)cc(Br)c1OCc1ccc(C)cc1 409122350 YGMKQQPAYDYXCR-UHFFFAOYSA-N 426.354 6.266 0 40 IKAB CSc1cccc(NC(=O)c2ccc3c(c2)[C@@H]2[C@H]4CC[C@@H](C4)[C@@H]2[C@@H](c2ccccc2)N3)c1 409184363 XPMYXUYYQQHNSR-ZPTXYVIGSA-N 440.612 6.957 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)cc(Cl)c1O[C@@H](C)CC 409234823 MVFXATJTKHAKNN-FHXOWUIVSA-N 449.334 5.667 0 40 IKAB Cc1ccn2c(CN3CCC[C@H](c4cccc(Nc5ncc(C)s5)n4)C3)c(C)nc2c1 585262677 SCPWBNVNAZZQKU-IBGZPJMESA-N 432.597 5.234 0 40 IKAB COc1cccc([C@H]2[C@H](c3ccccc3)CCN2C(=O)Nc2cnn(-c3ccncc3)c2)c1 680217534 PXNFGQCDVMZQGU-DQEYMECFSA-N 439.519 5.039 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2cc3ccc(C)cc3[nH]c2=O)C2CCCC2)cc1 1224236 QGRMNAVUQOLPPW-UHFFFAOYSA-N 435.593 5.377 0 40 IKAB C[C@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)Nc4ccccc4F)c23)C1 1377292 ZZYMOLCNDWMOIR-LBPRGKRZSA-N 427.570 5.563 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(Cl)c1Cl 1382666 WJWHAMNXXGFFOK-UHFFFAOYSA-N 427.136 5.346 0 40 IKAB Cc1ccc([C@@H](CCNC(=O)C[C@H](c2ccc(OC(C)C)cc2)C(C)C)c2ccco2)cc1 1832700 FWXYDKSGTWJPJW-SXOMAYOGSA-N 447.619 6.843 0 40 IKAB biogenic COc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(OC)c2)cc1 2624315 LFGFIIYBKZTQBT-UHFFFAOYSA-N 449.507 5.066 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c3ccccc3n2)cc1 2750821 PCNGSAYMSIRGTE-UHFFFAOYSA-N 440.852 7.135 0 40 IKAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(Cl)cc1Cl 2889707 YWDSUIMVZDDKJL-UHFFFAOYSA-N 436.316 5.769 0 40 IKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1OC 4289883 ATAYASAKEZQQOD-MHWRWJLKSA-N 437.536 5.625 0 40 IKAB Cc1cc(SCC(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)nc2ccccc12 6159181 NHYMUVFMXXGTGO-UHFFFAOYSA-N 441.581 6.551 0 40 IKAB CN(CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)C(=O)OCc1ccccc1 8451829 GJBQVYOJOLWWTN-UHFFFAOYSA-N 432.564 5.362 0 40 IKAB Cc1ccnc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)c2)c1 8452534 BHHMHUNBGIGFPH-GOSISDBHSA-N 449.982 6.236 0 40 IKAB O=C1[C@@H]2[C@H](C(=O)N1c1cccc3ccccc13)C1c3ccccc3C2(Cl)c2ccccc21 8497880 NEWZKXFPWSBRPF-GMMLXXJASA-N 435.910 5.587 0 40 IKAB O=C1[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]2C(=O)N1c1cccc2ccccc12 8497890 NEWZKXFPWSBRPF-MSVKLTOBSA-N 435.910 5.587 0 40 IKAB CC(=O)Nc1cc(C)c(C)cc1-c1csc(NC(=O)Cc2cccc3ccccc23)n1 8719608 MIQPNXFFBQCGJY-UHFFFAOYSA-N 429.545 5.720 0 40 IKAB Cc1cc2oc(C)c(C(=O)OCc3ccccc3)c2cc1NS(=O)(=O)c1ccccc1 8870292 FJHSSOWZYIERHX-UHFFFAOYSA-N 435.501 5.207 0 40 IKAB COc1ccc(N2C(=O)CN(c3cccc(C)c3C)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 8876486 KYUJFFPYYKFASJ-HHHXNRCGSA-N 442.559 5.557 0 40 IKAB biogenic Cc1ccc(C)c(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9075983 HCJAYTWSQYVSRY-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)/C(C)=C/c2ccccc2)cc1 9130076 FZPPXGJENXSFJQ-YJRBMFNESA-N 426.516 5.221 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccc(C)o3)sc2c1 9187329 VVLMOSFIPOMSDD-FQEVSTJZSA-N 428.469 5.362 0 40 IKAB Cc1nc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccccc2)sc1C 9265132 PTMBHYYPXXPPRK-MRXNPFEDSA-N 435.578 5.127 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccc(Cl)cc3Cl)sc3ccccc3c2=O)cc1 9327989 ONESPOWILUQTIE-UHFFFAOYSA-N 440.351 6.796 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccccc3Cl)c3cccc(C)c3C)cc2c1 9427857 ZWNJLGMANXPDCA-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)c(C)n1C1CC1 9499411 ZMSYYSGSSVIAET-UHFFFAOYSA-N 431.565 5.490 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N[C@H](C)c1ccc(F)cc1 9782888 INHFTHPTMODTNQ-SJORKVTESA-N 431.536 5.794 0 40 IKAB Cc1cccc(NC(=O)COc2cccc(CNc3ccc(Oc4ccccc4)cc3)c2)c1 9934939 LLSNRWRAKFHQLN-UHFFFAOYSA-N 438.527 6.417 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccccc1C(F)(F)F 10372398 LPYXUHWQRJJZDS-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(COC(=O)Cc2c[nH]c3ccccc23)cs1 10632923 QVBBCELGLIRURG-UHFFFAOYSA-N 433.533 5.157 0 40 IKAB C[C@H](Sc1nnc2sc3ccccc3n12)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658463 KKOLDRUTCXPPSY-JTQLQIEISA-N 447.467 5.866 0 40 IKAB C[C@@H](OC(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 12587463 MAHDPCHKTMRWPZ-WJONBZRJSA-N 430.759 5.733 0 40 IKAB CCn1c(SCc2nc3cc(-c4ccc(Cl)cc4)sc3c(=O)[nH]2)nnc1C1CC1 12796301 KPNXAFNIWSDKGQ-UHFFFAOYSA-N 443.985 5.086 0 40 IKAB CCOc1c(Br)cc(F)cc1NC(=O)c1ccc(F)cc1Br 12799658 PTWJYAOMMYBCJG-UHFFFAOYSA-N 435.062 5.141 0 40 IKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1ccnn1Cc1ccc(Cl)cc1 12938975 VQRDKIYGOWUIPP-UHFFFAOYSA-N 426.904 5.029 0 40 IKAB CCC(CC)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccccc1)CCC2 13014785 LDMHMNCSYRLFLS-LVZFUZTISA-N 442.559 5.573 0 40 IKAB C[C@@H](C(=O)NC(c1ccccc1)c1ccccc1)N(C)Cc1cccc(Cl)c1Cl 13058038 MGSMVJBFZFXQNL-KRWDZBQOSA-N 427.375 5.720 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13952236 VIBKGPKZVWQFHK-UHFFFAOYSA-N 437.543 5.197 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(-c2nc3cc(C)cc(C)c3o2)c1 14269705 IXJPABWKENPORP-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)cc(Cl)c1O)c1ccc(-c2ccc(Cl)cc2)o1 14270344 GSZIUOFNABLECH-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(OC[C@@H]2CCCO2)cc1 14673215 QCGPMAGPJREPHZ-IBGZPJMESA-N 446.334 5.048 0 40 IKAB Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Nc3c(C)cccc3C(C)C)CC2)c(C)c1 14739238 MGQKOPBQNKSYPD-UHFFFAOYSA-N 442.625 5.083 0 40 IKAB CCOc1cc(CNCCc2ccc(F)cc2)cc(Cl)c1OCc1ccc(F)cc1 16688518 FKKGUVPWZMCWRV-UHFFFAOYSA-N 431.910 5.928 0 40 IKAB O[C@]1(C(F)(F)F)CC(c2cccc3ccccc23)=NN1c1nc(-c2ccccc2)cs1 16949295 NSQHJCIXNPTTLI-QFIPXVFZSA-N 439.462 5.829 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)COc4ccccc4Cl)cc3n2)cc1Cl 17095282 WOLJCONQSMVAJN-UHFFFAOYSA-N 427.291 5.053 0 40 IKAB O=C(Nc1cccc2c1C(=O)N(c1ccccc1)C2=O)c1sc2ccccc2c1Cl 17098210 NAFOLQBAWPNTTJ-UHFFFAOYSA-N 432.888 5.608 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 19014359 QTXZMLCHLXHCIW-AFDBTRFSSA-N 439.603 5.297 0 40 IKAB O=C(c1cccc(F)c1)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373240 DBDSASBWIGXABK-HSZRJFAPSA-N 439.494 5.399 0 40 IKAB COc1ccc(C2(NCc3ccc(OCc4c(C)noc4C)c(OC)c3)CCCC2)cc1 19580927 DZYRVCBOKMOGMH-UHFFFAOYSA-N 436.552 5.447 0 40 IKAB CCOc1ccc(Nc2nc(Nc3ccc(OCC)cc3)nc(N3CCC(C)CC3)n2)cc1 19647783 LQYAQMXLTUMPLI-UHFFFAOYSA-N 448.571 5.393 0 40 IKAB CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccc(OC3CCCC3)cc2)C1 19702534 HGIYYGSAMWNDFF-IBGZPJMESA-N 449.620 5.309 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1)c1ccccc1 20490841 QNULUQVOXYZWDG-IGKIAQTJSA-N 444.600 5.384 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)/C=C/c1ccc(-c2ccccc2)o1 20611135 DOVNOPPLZZGIIS-WYMLVPIESA-N 438.462 5.780 0 40 IKAB Cc1cc(Cl)ccc1Oc1nc(CN2CCOCC2)nc2sc3c(c12)CC[C@H](C)C3 25286627 GNMJEFDZGDXZRL-AWEZNQCLSA-N 444.000 5.402 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(C)C)cc2)cc1C(=O)N1CCCCCC1 26119631 JPEIJMGHEMPQEY-UHFFFAOYSA-N 446.638 5.349 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccc(C)cc2)on1 27664269 BINREJPPALWDOG-UHFFFAOYSA-N 432.501 5.808 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1)Nc1ccc2ccccc2c1 28358832 VRTVCHWQZRFAEO-UHFFFAOYSA-N 437.524 5.270 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccccc2Br)cc1OC 28700163 YCCSMHFRDQNBPO-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 30862939 KMKVNOIKIOGGSZ-OAQYLSRUSA-N 443.587 6.546 0 40 IKAB COc1cc(NC(=O)c2nn(-c3ccc(C)c(F)c3)c3c2CCCC3)c(OC)cc1Cl 31552885 WHDQVVAZAKOOFX-UHFFFAOYSA-N 443.906 5.122 0 40 IKAB O=C(c1ccc2nc(-c3ccc[nH]3)c(-c3ccc[nH]3)nc2c1)N1CC[C@@H](c2ccccc2)C1 33584399 ZBSNJFGNHJYQEJ-HXUWFJFHSA-N 433.515 5.250 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3ccc(Cl)cc3)cc2Cl)c1 33618044 VVRRARNPUAEJLS-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC(c2nc3ccccc3o2)CC1 36623857 BFHCBYBEILDKJP-UHFFFAOYSA-N 449.514 5.095 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Cl)c(Cl)c4)C3=O)c[nH]c12 38162275 WPMVZNNUWONCRZ-NVMNQCDNSA-N 431.344 6.274 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3cccc(Cl)c3)cnc2c1-c1ccc(Cl)cc1 38829785 WQHMJNCTWAHKIH-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB Cc1nc(-c2cccc(Cl)c2)n(CC(=O)Nc2cc(Cl)cc(Cl)c2)c(=O)c1C 57528301 CMNKLJBXONQAFU-UHFFFAOYSA-N 436.726 5.126 0 40 IKAB Cc1cccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CN4C[C@@H](C)C[C@@H](C)C4)cc23)c1 57740310 FJTBGHSWZORENE-BGYRXZFFSA-N 426.564 5.167 0 40 IKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(Cl)cc1 59056598 SWMVSHZUHCADSA-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCOC(=O)CC1=CC(SCC(=O)Nc2ccc(Cl)cc2F)=Nc2ccccc2N1 62006667 PUYXEKKWDPNSBV-UHFFFAOYSA-N 447.919 5.144 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3ccc(F)cc3)c(=O)c3ccccc23)n1 67245366 OFFMDGMZQCRXHH-UHFFFAOYSA-N 427.435 5.246 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl 67292964 SQZXUIJIHJEYHV-IAIVQWBNSA-N 435.282 5.020 0 40 IKAB O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccccc1F 67295287 UGANOPCEVGJQOZ-NKFKGCMQSA-N 444.285 5.276 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)[C@H]2CC(=O)Nc3ccccc32)n1 72370045 NDARRHWQEHCKNI-DHLKQENFSA-N 443.522 5.376 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(COc2cc(Cl)cnc2Br)cs1 95460180 VDUPDZSYJCDVDO-UHFFFAOYSA-N 438.734 5.218 0 40 IKAB O=C1[C@H]2[C@H](C(=O)N1c1ccccc1)[C@H](c1ccccc1)N(c1ccccc1)[C@@H]2c1ccccc1 100492221 ZVHRVPRHMLWDIV-LAJGZZDBSA-N 444.534 5.795 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(OC)cc4OC)C3=C(O)C2)cc1 102720324 OCXXIVZWHUWTGY-VOIUYBSRSA-N 446.503 5.617 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)C(F)(F)F)[C@@H](c3ccc(F)cc3)C2=C(O)C1 104156032 JWAUUZZJFWSNDS-FQEVSTJZSA-N 432.417 6.181 0 40 IKAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1C/C(=C\c1cccc(Cl)c1Cl)[C@@H]2O 118916059 WHQRSVDLJNJCEK-JOSRMBTOSA-N 449.462 6.751 0 40 IKAB CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 118930834 PHLIUSDPFOUISN-VAGRUZMFSA-N 430.717 8.039 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220687072 WYSBMGMKWZCQHN-SFHVURJKSA-N 443.396 5.300 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 223703734 ADXHYUDCWIBXGB-DEOSSOPVSA-N 440.653 5.260 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 225310077 BYKISAAHTCBCAD-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2cc(Cl)ccc2-c2ccc(C(=O)O)o2)cc1 226355075 AIWMHALBSMLCAA-UHFFFAOYSA-N 442.924 5.548 0 40 IKAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)/C(=C\c3ccc(C(F)(F)F)cc3)C[C@H]12 253497853 QUYCEUJYTAJEMW-YFBNWJKVSA-N 448.569 6.463 0 40 IKAB Cc1ccc(NC(=O)CCNc2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc1 256055595 MPDFIENXKASTKV-UHFFFAOYSA-N 426.558 6.703 0 40 IKAB CC1=CC[C@@H]2C(=O)N(c3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)C(=O)[C@@H]2C1 408686336 SFGYOCLOWICVSP-DLBZAZTESA-N 429.303 5.091 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(Cl)cc3)n2)c1 408697394 GYTNWDLPFNLVLF-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1cc(C)ccc1C 408823166 DAHSVKNTYRBQSD-UHFFFAOYSA-N 429.383 6.394 0 40 IKAB O=C1OC(c2sc3ccccc3c2Cl)=N/C1=C/c1cc(Br)ccc1O 408839571 ULYQAJGZQREBCB-XYOKQWHBSA-N 434.698 5.367 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=O)N(CCOc2ccc(C)cc2)C1=O 409039717 XHISQDDYAXGPCG-YVLHZVERSA-N 438.332 5.426 0 40 IKAB CCCN1C(=O)/C(=C\c2cc(OCC)c(OCC)cc2Br)c2ccccc21 409111597 DKRANPRMRWMWHM-ATVHPVEESA-N 430.342 5.544 0 40 IKAB O=C(COC(=O)c1ccccc1C(=O)c1ccc(-c2ccccc2)cc1)c1ccc(F)cc1 409182027 HWRDDRDIAKLOKM-UHFFFAOYSA-N 438.454 5.763 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccc(Br)cc3)cc2)cc1Cl 409202455 SKTCQFYRZLQBFD-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(Cl)ccc3C)ccc2C)cc1C 409411371 HFXAUTPIYQQFHI-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)NCc4ccco4)c(Cl)c3N2)cc1 867064 JAWYITGVFTYRFB-LSDHHAIUSA-N 438.837 5.028 0 40 IKAB Cc1ccc(Cn2ccc(NC(=O)c3cn(-c4ccccc4)nc3-c3ccccc3)n2)cc1 1002647 BVCJULOROPUTBQ-UHFFFAOYSA-N 433.515 5.345 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 1359120 FEMCUHHOKAFJPW-UHFFFAOYSA-N 430.935 5.375 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)C[C@@](C)(CC)OC3 1820670 USPKZEWIVHWMFQ-JOCHJYFZSA-N 430.595 5.199 0 40 IKAB Cc1cccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)C[C@@H](C(C)C)OC4)c1 1826642 ABEJQYXLEFPUBW-IBGZPJMESA-N 442.650 5.991 0 40 IKAB O=C(COC(=O)c1cc(-c2ccccc2)nc2ccccc12)c1ccc(-c2ccccc2)cc1 1838963 GLAFHZKTSVIPOZ-UHFFFAOYSA-N 443.502 6.609 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(NC(=O)Cc3cccc4ccccc34)c2)c1C 2069733 LCWKATHFWUCYHN-UHFFFAOYSA-N 442.946 6.544 0 40 IKAB Cc1oc2cc3oc(=O)c(CCC(=O)Nc4cccc(C(F)(F)F)c4)c(C)c3cc2c1C 2149738 WDGAHJBBQZQITM-UHFFFAOYSA-N 443.421 6.055 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c4c(ccc23)OCN(c2c(C)cccc2C(C)C)C4)cc1 2158756 UTVOHMGHDCPCDM-UHFFFAOYSA-N 441.527 6.257 0 40 IKAB biogenic CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2Cl)cc1 2399519 PKROHIDRSCZJDZ-PIKZIKFNSA-N 442.323 6.003 0 40 IKAB Cc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2411246 RUUVJZUSGUOEIA-IBGZPJMESA-N 436.920 5.578 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(Cl)cn2)c1 2418965 GEAPGPKMAILGQR-QFIPXVFZSA-N 446.890 5.380 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)c(Cl)c4)ccc3c2=O)cc1 2419828 IQRHTWMFDWYSGT-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB biogenic O=C(NC1CCN(Cc2ccccc2)CC1)c1ccc(-c2nc3ccccc3s2)s1 2617083 LTIPGBWULGEQSY-UHFFFAOYSA-N 433.602 5.419 0 40 IKAB CCCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)c1 2750874 WRFCQYMMSUEKKF-GOSISDBHSA-N 449.572 5.848 0 40 IKAB CCOC(=O)c1c(Nc2ccccc2)sc(C(=O)c2ccc(-c3ccccc3)cc2)c1C 3199386 CUWBCVHSFZQPFA-UHFFFAOYSA-N 441.552 6.875 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1ncnc2scc(-c3ccccc3)c12 3240418 CTCXKVCQMWFIED-MRXNPFEDSA-N 433.602 6.603 0 40 IKAB CC(C)(C)C(=O)COC(=O)CSc1ccc(Br)c2cccc(Cl)c12 3275972 WHIRLCHUZQRMKC-UHFFFAOYSA-N 429.763 5.506 0 40 IKAB CC[C@]1(C)C[C@@](CCNCc2ccc(OC)c(OC)c2)(c2ccc(OC)cc2)CCO1 4027796 OCZJOJKHSMJOSE-FTJBHMTQSA-N 427.585 5.109 0 40 IKAB biogenic COc1ccc(CC(=O)Nc2sc3c(c2C(=O)Nc2cccc(C)c2)CCCCC3)cc1 8445641 WPIIRNKFZGLQFD-UHFFFAOYSA-N 448.588 5.768 0 40 IKAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 8722388 RQAOAQLTXBGWLD-APBUJDDRSA-N 433.360 6.294 0 40 IKAB Cc1ccc(-c2csc3[nH]c(CSc4nnc(C5CC5)n4C4CC4)nc(=O)c23)s1 8728610 ZZHFQZAVPITXAA-UHFFFAOYSA-N 441.607 5.118 0 40 IKAB Cc1ccc(Cn2nc(C)c(C(=O)Nc3ccccc3Cc3ccccc3)c2Cl)cc1 9254782 PRKIVNNDWCGKSE-UHFFFAOYSA-N 429.951 6.045 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](NCc1ccc(OC(F)F)cc1)c1ccccc1 9314574 RTVZNTBRYKZVNN-QFIPXVFZSA-N 426.463 5.156 0 40 IKAB CC(C)c1cc(C(C)C)c(Sc2c(-c3ccccc3)nc3sccn23)c(C(C)C)c1 9404573 ANNHRNWZPBQMDW-UHFFFAOYSA-N 434.674 8.584 0 40 IKAB O=C(Nc1nc2c(cc3c4c(cccc42)CC3)s1)c1ccc(C(=O)c2ccccc2)cc1 9404646 XNCQPSKORJGOAA-UHFFFAOYSA-N 434.520 6.031 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 9409230 IQYMWQFKRIDOJR-VWLOTQADSA-N 449.551 5.171 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)c3[nH]nc(-c4ccco4)c3[C@@H]2c2ccc(Cl)cc2)cc1 9679518 ZTLNSYKCXVKNTN-QFIPXVFZSA-N 447.878 5.250 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3ccc4ccccc4c3)cc2)S(C)(=O)=O)c1 10334197 XTQFDSZWSQPBFB-UHFFFAOYSA-N 444.556 5.367 0 40 IKAB O=c1c2c(nc(SCc3cccc4ccccc34)n1CCc1ccccc1)CCS2 12140526 BEBCVBXPWDLGHC-UHFFFAOYSA-N 430.598 5.580 0 40 IKAB Cc1cc(-c2cnc(C(C)C)nc2-c2ccc(CNC(=O)c3ccccc3F)cc2)on1 12159058 SUCITCRSBOQQCU-UHFFFAOYSA-N 430.483 5.300 0 40 IKAB Fc1ccccc1[C@H]1Oc2ccc(Br)cc2[C@@H]2CC(c3cccs3)=NN21 12312109 OTTUGFPKVIDRRO-FXAWDEMLSA-N 429.314 5.892 0 40 IKAB Cc1oc(C23CC4CC(CC(C4)C2)C3)cc1C(=O)Nc1c(C)c(C)c2c(c1C)NC(=O)CO2 12372280 QIPANKBKYXHXQM-UHFFFAOYSA-N 448.563 5.564 0 40 IKAB Cc1ccc(-c2csc(N3N=C(c4cccs4)C[C@H]3c3ccc(F)cc3)n2)cc1C 12462276 OMBVYELBEAIQNZ-QFIPXVFZSA-N 433.577 6.983 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nc(C)c(C)n2C2CCCC2)cs1 12541060 UPGWSVMWIJXHQD-UHFFFAOYSA-N 440.638 6.357 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2nc(CC34CC5CC(CC(C5)C3)C4)cs2)cc1 12564537 KPFJQJWMFDDVHC-UHFFFAOYSA-N 432.611 5.102 0 40 IKAB Cc1c(C(=O)CSc2nnc(Cc3cccs3)n2C2CC2)sc2ccccc12 12567580 SXFNLZTZTJNLMY-UHFFFAOYSA-N 425.604 5.763 0 40 IKAB CC(C)c1ccc(N(C(=O)c2csnn2)[C@H](C(=O)NC(C)(C)C)c2cccs2)cc1 12637439 UMNILWRBOYBHOP-IBGZPJMESA-N 442.610 5.026 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3N2)cc1 12846952 GPZSMSYTTQJDIX-PKOBYXMFSA-N 448.876 6.066 0 40 IKAB CCc1cccc(NC(=O)c2ccc(OCC(=O)Nc3cccc(C(F)(F)F)c3)cc2)c1 13056886 BSPMPBMHMPDFSG-UHFFFAOYSA-N 442.437 5.538 0 40 IKAB COc1ccccc1-c1nn(CN2CCC(C)CC2)c(=S)n1-c1ccc(Cl)cc1 13071997 XEXIBGRBHDUBJK-UHFFFAOYSA-N 428.989 5.422 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)cc1 13147645 DHMSDCVDGNDKPC-UHFFFAOYSA-N 441.556 5.929 0 40 IKAB Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@H]2c2ccco2)cc1Cl 13302772 YGOUOZQJZCDEID-SFHVURJKSA-N 436.136 6.705 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccccc3)c(C)nc2n1Cc1cccc(Cl)c1 13502029 DRVXGQYQKXGXRZ-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)c1ccccc1SCc1ccccc1 13677627 GQSFCRLLNIXFDZ-FQEVSTJZSA-N 446.572 5.140 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)cc4Cl)cc3)c2O1 15881158 LZEIRVCFVFKTSL-UHFFFAOYSA-N 442.342 6.538 0 40 IKAB COc1ccc(CCNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2)cc1OC 16227408 XLAJNLVKZOVQQU-UHFFFAOYSA-N 446.374 5.922 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cn3)o2)cc1Cl 17097830 BYRXIQVDBBYFNH-RMKNXTFCSA-N 432.332 5.483 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=S)NC(=O)c4cccc(Cl)c4)ccc3O)oc2c1 17101745 JKQJCINXKPLWCY-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccs1)c1ccc(Br)cc1 17169943 CWKHUTQNFVHFIU-UHFFFAOYSA-N 441.350 5.356 0 40 IKAB Cc1cc(Oc2ccc(NC(=O)[C@@H](C)n3ccnc3C(C)C)cc2)cc(C2CCNCC2)n1 19570440 KEUDWUGEDZTIGL-LJQANCHMSA-N 447.583 5.169 0 40 IKAB O=C(Cc1cnc(-c2ccc(Cl)cc2)[nH]c1=O)Nc1ccc(Oc2ccccc2)cc1 19937643 PRGNWUXHALGIPO-UHFFFAOYSA-N 431.879 5.064 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144241 VMMGZJYOJZKXEW-UHFFFAOYSA-N 426.683 5.417 0 40 IKAB COc1ccc(NC(=O)COc2ccc(C3CCCCC3)cc2)cc1-c1ccc(CO)o1 20144938 WBBMGDCGVIRNLL-UHFFFAOYSA-N 435.520 5.513 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610512 KOWDXYVMDIKGQF-UHFFFAOYSA-N 428.536 5.975 0 40 IKAB Cc1ccc(N2CCC[C@@H](C(=O)N(Cc3nc(-c4cccc(C)c4)no3)CC(C)C)C2)cc1 22255674 WLYKUGLOLZDAQV-HSZRJFAPSA-N 446.595 5.255 0 40 IKAB COc1ccc(-c2nc(C)c(C(=O)N3CCC[C@@H]3c3ccc(OC)c(OC)c3)s2)cc1 25616952 WWBWCQVYVGHEBZ-LJQANCHMSA-N 438.549 5.122 0 40 IKAB CC(=O)c1c(-c2ccc(Br)cc2)[n+](-c2ccccc2)c2sc3ccccc3n12 26442009 RNLHMFSYWLXNTG-UHFFFAOYSA-N 448.365 6.063 0 40 IKAB O=C(Cc1coc(-c2ccccc2)n1)Nc1nc(-c2cccc(C(F)(F)F)c2)cs1 29013543 CZHDDMRPPYFJPU-UHFFFAOYSA-N 429.423 5.665 0 40 IKAB CC(=O)c1ccc(OC(=O)c2nc(SCc3ccccc3Cl)ncc2Cl)cc1C 32623470 NDCCMVYCVVJLQQ-UHFFFAOYSA-N 447.343 5.806 0 40 IKAB Cc1nn2c(nc(Sc3nnc(C4CC4)n3Cc3ccco3)c3ccccc32)c1Cl 32856120 VXVMYQGRRTZSLS-UHFFFAOYSA-N 436.928 5.106 0 40 IKAB CCOc1ccc(-c2nc(CSc3nncn3CCc3cccs3)cs2)cc1 32865501 NVHXECHSALBBSD-UHFFFAOYSA-N 428.608 5.397 0 40 IKAB CC[C@@H](C)c1ccc([C@H](NC(=O)COc2ccc3c(c2)CCC(=O)N3)c2cccs2)cc1 32906595 MNXVFMVXAVTYON-QUGAMOGWSA-N 448.588 5.431 0 40 IKAB CCOC(=O)c1ccc2nc(-c3ccc(C)cc3)cc(OCC(=O)N3CCC(C)CC3)c2c1 32985852 LYMZMDOSLSVCMK-UHFFFAOYSA-N 446.547 5.024 0 40 IKAB Cc1ccc(CNC(=O)C2CCN(c3cc(Sc4cc(C)ccc4C)ncn3)CC2)cc1 33312053 IVZPWZWZLQCQOH-UHFFFAOYSA-N 446.620 5.086 0 40 IKAB COc1ccccc1CN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)Nc1ccccc1F 35289176 JEPRRRDXKVDISE-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB Cc1sc(NC(=O)c2ccc(Cl)cc2Cl)nc1-c1ccc(Br)cc1 40968273 RZVJZOCCOOXFSI-UHFFFAOYSA-N 442.165 6.440 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCc1ccc(CN2CCCCC2)cc1 44873415 NUAHPANXEVQBHQ-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CSc1ccc(CN2C(=O)C(O)=C(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 45942199 NQWFRJJSUNLDLN-VWLOTQADSA-N 429.585 6.585 0 40 IKAB Cc1ccc(Nc2nc(Nc3ccc(C)cc3C)nc(Sc3nccn3C)n2)c(C)c1 51367072 QVZKASBYBJMMJC-UHFFFAOYSA-N 431.569 5.477 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2-c2ccc(C)c(C)c2)c1 57487714 JEHOMPRVQGQPCN-UHFFFAOYSA-N 449.601 5.357 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)NCc3ccc4[nH]c(C)c(C)c4c3)sc3ccccc23)C1 72352636 DXRDAYWKYHSJQN-LJQANCHMSA-N 445.588 5.265 0 40 IKAB Cc1c(C(=O)N2CCC(c3onc4c3C[C@@H](C(C)(C)C)CC4)CC2)[nH]c2c1C(=O)CCC2 72392430 KNPOGMACVLWXOU-KRWDZBQOSA-N 437.584 5.001 0 40 IKAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(Oc2ccc(Cl)cc2)cc1 98086756 VNRRRZKMDRXIPI-UHFFFAOYSA-N 439.939 5.830 0 40 IKAB Cc1ccc(N2C(=O)N(C(=O)c3ccc(Cl)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 100032865 HYZJTXYODXKMBU-SQJMNOBHSA-N 432.907 5.971 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@@H]4CC[C@@H](C)C[C@H]4C3=O)c2)cc1 101466185 LDFZKOYCRHBCOW-NLSFWIRASA-N 433.548 5.519 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987167 JZHYJIYCLMFOKD-HSJYVMOXSA-N 426.604 6.754 0 40 IKAB Cc1cccc(C)c1OCc1nnc(SCC(=O)c2ccccc2)n1-c1ccccc1 107820846 CLIUTDNFXTXIQA-UHFFFAOYSA-N 429.545 5.438 0 40 IKAB COc1ccc(C(=O)Oc2ccc(/C=C3/SC(=O)N(Cc4ccccc4)C3=O)cc2)cc1 214165175 GNGFVJMYVKATRV-PXLXIMEGSA-N 445.496 5.151 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)cc(Br)c1OC 214591546 DZFAHKYZVLAJCP-LICLKQGHSA-N 448.338 5.011 0 40 IKAB O=C(COc1ccc(Br)cc1)NCCSCc1c(Cl)cccc1Cl 218814477 CQJUGRYWPQGAHD-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 222934829 AULNSWPJKUXRNF-DQEYMECFSA-N 426.589 5.654 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccc(C)cc1 224119639 VNURLENBPYRTFN-UHFFFAOYSA-N 430.331 5.819 0 40 IKAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1C(C)(C)C 224172764 LCPSBGIFHRTOQD-UHFFFAOYSA-N 446.547 5.782 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(C)cn2)cc1 224194653 SKKUZAJCGSBEIN-DNQXCXABSA-N 425.561 5.061 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCCOc1ccc(Cl)cc1 224542228 IQHSPIJJSXBACC-HSZRJFAPSA-N 445.003 5.079 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 224697930 WTWGEWFJGWWHTB-JOCHJYFZSA-N 449.422 5.506 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 224806741 RRPNFFFXQHPTIH-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)cc1 224905906 LVWYCCSIRJMBBJ-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(CNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 225528121 QUHMRNWVDJZECR-UHFFFAOYSA-N 432.895 5.643 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 225528438 BDNHINQMPFOESG-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCCC[C@@H]4C)cc3)CCCCC2)cc1 225542405 GGYAFOILQCWBMK-QHCPKHFHSA-N 434.624 6.089 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC(C)C)cc1 225556242 MHUFBFLZSQAIDR-SFHVURJKSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1F 225582411 ZDFJGQUSCUKAPY-XXBNENTESA-N 444.616 5.089 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225615042 NBOUSXIHWKXORR-XMSQKQJNSA-N 447.044 5.463 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(CSc2ccccc2)cc1 225678182 UXMVGQSCVSDNNU-QHCPKHFHSA-N 448.657 6.876 0 40 IKAB CCCc1nc(COc2cccc(Br)c2)c(C(=O)O)cc1-c1ccccc1F 257221842 DQTYDQACPBGSTE-UHFFFAOYSA-N 444.300 5.880 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)cc2c1 257296062 RBBQWJCPFIXXPQ-HSZRJFAPSA-N 433.483 5.262 0 40 IKAB CC(C)c1ccccc1OCC(=O)NC[C@H]1CC[C@H](c2nnc(-c3cccs3)o2)CC1 257303912 SJHAHRGFIFPQNT-IYARVYRRSA-N 439.581 5.391 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCCC2)c1 260812394 BARJGMNHPOWWNZ-DEOSSOPVSA-N 448.651 6.336 0 40 IKAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 408680573 NQKFAPBACVVUSE-GOSISDBHSA-N 432.800 5.854 0 40 IKAB COc1ccc(C(=O)CN(C(=O)c2ccc(Cl)cc2Cl)n2c(C)ccc2C)cc1 408684733 NVQNACIQJBVNKZ-UHFFFAOYSA-N 431.319 5.082 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Br)c1OCc1ccccc1 408821490 ICJGIRZRPZZWIF-BOPFTXTBSA-N 448.338 5.093 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3cccc4ccccc34)c(OC)c2)C1=O 409062407 UEFQQLZFWSMBOO-JLPGSUDCSA-N 447.556 6.264 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)cc(Cl)c1OCc1cccc(Cl)c1 409114617 HSJWQCVNYZPHRR-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB COCCN1C(=O)S/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C1=O 409148434 YQHUZYNPQNBUFU-BUVRLJJBSA-N 442.540 5.526 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(C(=O)O)cc2)cc1 409180787 VSDSLEHIFVZQQE-MHZLTWQESA-N 448.522 6.059 0 40 IKAB COc1cc(Br)c(/C=C2/C(=O)N(c3ccccc3)c3ccccc32)cc1OC 409204730 IVRLPSWGEAWQEF-LDADJPATSA-N 436.305 5.685 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1c1ccc(Cl)cc1 409245596 WHVOVJHVKRJFEL-DEDYPNTBSA-N 441.339 6.242 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)ccc1OC(F)F 409358340 LLHYBCQNZJHGQK-MHWRWJLKSA-N 425.840 5.581 0 40 IKAB COCc1cc(C)nc2sc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c(N)c12 409373950 IXINENAQBUGVGP-UHFFFAOYSA-N 429.851 5.258 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc(Br)cc1Br 670720 NKDCLEYNWMOFAH-UHFFFAOYSA-N 434.511 5.158 0 40 IKAB CCC(=O)N(CC[C@@]1(c2ccccc2)CCOC(C)(C)C1)Cc1ccc(OC)c(OC)c1 797636 CDCNAKWYNBPQQX-HHHXNRCGSA-N 439.596 5.360 0 40 IKAB biogenic COc1ccc(C)cc1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(C)cc12 906284 YEPWEHDKISFZQW-UHFFFAOYSA-N 429.545 5.653 0 40 IKAB Cc1ccc(-c2ccc(-c3cc(C(=O)O)c4cc(F)ccc4n3)o2)c(Br)c1 934729 FAOOJFNKYDZHHZ-UHFFFAOYSA-N 426.241 6.070 0 40 IKAB O=C(NCCC1=CCCCC1)c1cc(-c2cccc(Br)c2)nc2ccccc12 998001 YLYASNRRZWEABM-UHFFFAOYSA-N 435.365 6.285 0 40 IKAB Cc1ccccc1N1CCN(C(=O)c2cc3cc(OCc4ccccc4)ccc3[nH]2)CC1 1097685 HFBANVWCHGKXON-UHFFFAOYSA-N 425.532 5.018 0 40 IKAB CCOc1ccc(-c2nnc(N(CC(C)C)C(=O)c3ccccc3OCC)s2)cc1 1345570 WAAFINOZASCUSY-UHFFFAOYSA-N 425.554 5.305 0 40 IKAB CCCCCCc1cc2c(=O)c(Oc3cc(C)cc(C)c3)c(C(F)(F)F)oc2cc1OC 1748251 FOJPBPNBJNXCNV-UHFFFAOYSA-N 448.481 7.352 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@H](O)Cn1nc(C)cc1C 2083376 ZESFSVJJSQJEKB-SANMLTNESA-N 449.598 6.467 0 40 IKAB Nc1c(C(=O)NCc2ccc(Cl)cc2)c2nc3ccccc3nc2n1C1CCCCC1 2256753 JBCNQJBVXCKBEL-UHFFFAOYSA-N 433.943 5.255 0 40 IKAB CCCCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCC1)Cc1ccccc1-2 2272039 JDOBVCBMMTUNJD-UHFFFAOYSA-N 444.644 6.609 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3ccccc3F)cc3cc(OC)c(OC)cc23)cc1 2351595 AXZNFLMEPLIDQL-UHFFFAOYSA-N 445.490 6.314 0 40 IKAB CCc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccs3)sc2c1 2352965 QBNYOJCNVDGMMD-HXUWFJFHSA-N 444.537 5.776 0 40 IKAB CCCCc1nc2sc3c(NCCN(CC)CC)nc(SC)nc3c2c2c1CCC2 2428627 BUEIERFRNGCYKJ-UHFFFAOYSA-N 443.686 5.546 0 40 IKAB CCCc1sc(N(C(=O)c2ccccc2)c2ccc(OC)cc2)nc1-c1ccccc1 2843268 NMWXZLQKBNEXQC-UHFFFAOYSA-N 428.557 6.750 0 40 IKAB Clc1ccccc1OCCSc1nnc(-c2ccccc2Cl)n1C1CCCC1 3299083 PNZVEJZKSKKALD-UHFFFAOYSA-N 434.392 6.538 0 40 IKAB O=C(COC(=O)Cc1ccc(Cl)c(Cl)c1)Nc1c(Cl)cccc1C(F)(F)F 3362976 NZHRAVIQNGYBEP-UHFFFAOYSA-N 440.632 5.390 0 40 IKAB c1ccc(-c2ccc(Oc3nc(-c4cccnc4)nc4sc5c(c34)CCCC5)cc2)cc1 3363730 VXQUKKOXOVRDRI-UHFFFAOYSA-N 435.552 7.091 0 40 IKAB C[C@@]12C(=O)N(CCC3=CCCCC3)C(=O)[C@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 4413504 IRKARXPTWCTTMK-KGWIZABPSA-N 425.572 6.006 0 40 IKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2c(F)cccc2Cl)n2c(nc3ccccc32)N1 4767999 QKQNUXQQFNBGAU-JOCHJYFZSA-N 439.918 5.994 0 40 IKAB COc1ccccc1[C@]1(CCNCc2ccc(OC(C)C)cc2)CCO[C@H](C(C)C)C1 5399504 IQUJHWGJJULTIB-RRPNLBNLSA-N 425.613 5.735 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(Cc3ccccc3)C(=S)NC3CCCCC3)cc2c1 6300479 PTVIEOXEBNMUGJ-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB COc1ccc(-c2nc3ccccc3s2)cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 8919445 CGLMAYDXFNSTFR-XNTDXEJSSA-N 428.557 6.747 0 40 IKAB COc1ccccc1C1=NN2[C@H](C1)c1ccccc1OC21CCN(Cc2ccccc2)CC1 9019673 VOOVECIRRTYXTP-RUZDIDTESA-N 439.559 5.231 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)N(C)C)cc1 9226986 BBKNYEXTCNLTBG-MHZLTWQESA-N 437.543 5.167 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSc3nnc(-c4ccccc4C)o3)ccc21 9283514 IZUOIBOOZUGZCD-UHFFFAOYSA-N 442.544 5.904 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 9349543 JOKAQZMPGCIPMY-UHFFFAOYSA-N 443.519 5.468 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)Nc1ccc2c(c1)CCC2 9493016 NITXBUAJWKNHPE-UHFFFAOYSA-N 446.601 5.274 0 40 IKAB CN(Cc1nc2ccccc2s1)C(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 9513874 RBLSRLSBROYWMD-UHFFFAOYSA-N 449.601 5.134 0 40 IKAB CCn1c(SCC(=O)N(Cc2ccco2)C2=CCCCC2)nnc1-c1cccs1 9754618 LBTRBLXKHHYUEN-UHFFFAOYSA-N 428.583 5.198 0 40 IKAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccc(-c3nc4ccccc4s3)o2)c1 9883441 SVMIRATUYDKDJW-SFHVURJKSA-N 434.517 5.551 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)c1 9892108 ODSCSZPHUXTEKF-SFHVURJKSA-N 442.515 6.423 0 40 IKAB O=C(COC(=O)c1ccc(C(F)(F)F)cc1)Nc1cc(C(F)(F)F)ccc1Cl 10648235 RQVKSZOQHMDIDQ-UHFFFAOYSA-N 425.712 5.173 0 40 IKAB CCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4)=NN32)cc1 12192304 PGRMMXIICDRNCJ-XNMGPUDCSA-N 428.532 6.116 0 40 IKAB C[C@H](Sc1nc2cc(C(F)(F)F)ccc2n1C1CC1)C(=O)c1ccc2c(c1)CCC2 12364898 MJLPKRYQFWXKAO-ZDUSSCGKSA-N 430.495 6.242 0 40 IKAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(CCc3ccccc3)c2C)c2ccccc2n1 12588049 AJYRMFKINIKMRB-UHFFFAOYSA-N 426.516 5.244 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)c2cccc3ccccc23)c2c[nH]c3ccccc23)cc1 12635527 NCVOQODIVTZAMA-SANMLTNESA-N 433.555 5.949 0 40 IKAB CC(C)(C)NC(=O)[C@@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(C(F)(F)F)c1 12645356 XNSBHBBIOJRWNG-HXUWFJFHSA-N 444.453 5.601 0 40 IKAB COc1cccc(CN(C)C(=O)CSc2nc(-c3cccs3)nc3ccccc23)c1 12777601 SIEXTBOQESBJFR-UHFFFAOYSA-N 435.574 5.118 0 40 IKAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 12801996 MEHCCIIXTXVTTH-UHFFFAOYSA-N 429.467 5.302 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN[C@@H](Cc3ccccc3)c3ccccc3)cc2)cc1 12928393 IVGPWCARMREURN-NDEPHWFRSA-N 436.555 6.021 0 40 IKAB Cc1ccc(NC(=O)COC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)cc1C 13015813 IXGGLZQVLKWLOE-UHFFFAOYSA-N 426.472 5.421 0 40 IKAB COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C(c3ccccc3)N2C2CC2)cc1 13112499 MNVDLDBUNHXHKM-SANMLTNESA-N 434.543 5.835 0 40 IKAB O=C1c2ccccc2N[C@H](c2c(-c3ccccc3)nc3sccn23)N1CC(F)(F)F 13127230 WACXNQGXGCDFSC-SFHVURJKSA-N 428.439 5.192 0 40 IKAB Cc1sc2nc(CSc3ccccc3)nc(Oc3ccc4ccc(=O)oc4c3)c2c1C 13135393 ZGFBOXNEGPRDRI-UHFFFAOYSA-N 446.553 6.499 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@@H](C)Oc1ccccc1Cl 13870912 HONNFDBAPKTHTQ-MRXNPFEDSA-N 444.988 5.439 0 40 IKAB C[C@@H](NC(c1ccccc1)c1ccccc1)C(=O)Nc1ccc(Cl)cc1C(F)(F)F 14915623 OMLBQSYYAGLYND-OAHLLOKOSA-N 432.873 6.065 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3F)[C@@H]2c2cccs2)cc1 15005137 VNCQDFQTGCTRIF-VGOFRKELSA-N 426.488 5.458 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 16749728 ODJQWGVWEAERDR-HSZRJFAPSA-N 427.525 5.303 0 40 IKAB CCOc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3ccccc3)c2=S)cc1 16768584 CFOHABKPLOUCOP-UHFFFAOYSA-N 430.533 5.108 0 40 IKAB Fc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(F)cc3)c2Br)cc1 17094271 UXAQMBOSMFBZAA-UHFFFAOYSA-N 425.276 6.306 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc(NC(=O)Cc2ccccc2)cc1 17094288 YEIIVBCDNWWFOL-NTUHNPAUSA-N 425.315 5.827 0 40 IKAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294121 OUPZOOKRLHQXKL-FDDCHVKYSA-N 443.526 5.441 0 40 IKAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(NC(=S)Nc2cccc3ccccc23)cc1 19630423 PLYBXZXBFLLWTJ-QGZVFWFLSA-N 439.606 5.212 0 40 IKAB CCCCCOc1ccc([C@@](O)(C(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 19851255 NMTSUZDLHHSAJZ-SXOMAYOGSA-N 425.613 5.215 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)N(C)C3CCCCC3)ccc2Cl)cc1C 20110640 QARZAKZTKYPVFT-UHFFFAOYSA-N 434.989 5.162 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)o1 23601879 AUTUACFKPYEEFJ-JTQLQIEISA-N 442.547 5.518 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 28288313 BVYCBHTZTUDDOH-NRFANRHFSA-N 438.955 5.020 0 40 IKAB COc1ccc(SCC(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1OC 30872736 DONJIBQSHMUYIC-UHFFFAOYSA-N 429.925 5.880 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Cl 32691586 FURJHHCNELQKOC-UHFFFAOYSA-N 433.964 6.436 0 40 IKAB O=C(Cc1cccc2cccnc12)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 32885606 ZEBGZWDDFRQAQI-QFIPXVFZSA-N 439.946 5.860 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4sc(C)nc4C)o3)cs2)cc1OC 32905936 MTERUNJNXSNCIT-UHFFFAOYSA-N 446.579 5.243 0 40 IKAB COC(=O)c1ccccc1NC(=S)NC(=O)c1sc2cc(Cl)ccc2c1Cl 33625072 ZFNHXJHXMFPIJG-UHFFFAOYSA-N 439.345 5.122 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3cc(C)cc(C)c3)cc1)=NCC2 33678651 WBDAKLBEWMLAKO-UHFFFAOYSA-N 443.547 5.553 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCC(=O)Nc2ccc(F)cc2)c(Cl)c1 33756751 WSNDCUQDZHYZOF-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 35569249 ZLWQGNABQLEYHG-SQHAQQRYSA-N 448.570 5.296 0 40 IKAB CC(C)c1nnc(SCc2csc(-c3ccccc3Cl)n2)n1Cc1ccco1 40024259 WZOIUKXTAJFRBT-UHFFFAOYSA-N 430.986 6.112 0 40 IKAB O=C(NC(=S)NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)cc1 57316233 IJWKSIXIXFTVCW-UHFFFAOYSA-N 449.757 5.167 0 40 IKAB Clc1ccc(I)cc1-c1nc2cccc(Cc3ccccc3)c2o1 57352441 LPPPCKYSYBZWOX-UHFFFAOYSA-N 445.687 6.344 0 40 IKAB Cc1csc(C2CCN(C(=O)c3sc(-c4ccco4)nc3-c3ccccc3)CC2)n1 58378047 PZOCRDHVYCBZEM-UHFFFAOYSA-N 435.574 5.855 0 40 IKAB CC(C)c1oc([C@@H]2CCCN2C(=O)Nc2ccc(C(F)(F)F)cc2)nc1-c1ccccc1 72305882 WYTRNTVBIAMNLW-IBGZPJMESA-N 443.469 6.853 0 40 IKAB Cc1ccc(-c2cc(-c3c(-c4ccccc4)c4ccccc4[nH]c3=O)nc3ccccc23)cc1 95945213 DXDNLUNWXJZICN-UHFFFAOYSA-N 438.530 7.386 0 40 IKAB CSC1=NC2(CCN(C(=O)Nc3ccccc3C(F)(F)F)CC2)N=C1c1ccccc1 96399252 XUMHAPWAZRBSQG-UHFFFAOYSA-N 446.498 5.294 0 40 IKAB CCOc1cc(CNc2ccc(Cl)c(Cl)c2)ccc1OCc1cccc(Cl)c1 107023781 FEDSXLHXBIIJCL-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CCOc1ccc(NC(=O)c2cc(Cl)c(OCC)c(OCc3ccccc3)c2)cc1 108216766 GJXOFSAQJZEMPI-UHFFFAOYSA-N 425.912 5.969 0 40 IKAB CCCOc1ccc2[nH]c(C(=O)N[C@H](CC(=O)OC)c3cccc(Cl)c3Cl)cc2c1 199417001 KTTRJFFHUFSXDT-GOSISDBHSA-N 449.334 5.298 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Br)c3)N21 222666530 XOMZTWZWDZQYST-RYGJVYDSSA-N 446.414 5.611 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 222799733 RHABRGSKHJWXDC-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222910628 ODQSOEQUYQRMAL-SFTDATJTSA-N 428.964 5.293 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223184746 RZANQXBSMIORGA-VWLOTQADSA-N 448.994 5.415 0 40 IKAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223408213 BDLFYMJFMYZZHN-RUZDIDTESA-N 438.999 5.827 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(Cl)cccc1Cl 223842146 DZLUAPZKRGPFHH-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CCOc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(OC)cc3OC)o2)cc1 224934090 HAIRMDITZXKVBG-UHFFFAOYSA-N 444.487 5.677 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CC 225611454 RGWQBZOCHNBKQA-OAQYLSRUSA-N 435.395 5.260 0 40 IKAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@H](O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253499212 KUZBETODCMAEND-DOVKSGBASA-N 444.562 5.966 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@H]2O[C@H]3CCN(Cc4ccccc4C(=O)O)C[C@H]3C[C@@H]21 257243118 IFOAVRZNDUTLOA-SBQCITLYSA-N 441.955 5.178 0 40 IKAB COc1ccc2[nH]c(C(=O)N3CCCC[C@H]3c3ncc(Cc4ccccc4OC)o3)cc2c1 257245401 IPHRFRSIUUAMKW-QHCPKHFHSA-N 445.519 5.131 0 40 IKAB CCOc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)cc1 408639681 GVCWQBBKIXXNEP-FQEVSTJZSA-N 444.531 5.486 0 40 IKAB CC(C)(C)c1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccc(F)cc4)C3)cc2)cc1 408646069 SYORWDXNPOYPKI-GOSISDBHSA-N 446.522 5.907 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3C)n2)cc1C 408696122 WLQXTSRUCCEJJL-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nc2-c2cccc(C)c2)cc1 408696651 DCEGPROPJWBXHK-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3cccc(Br)c3)sc2C)c(OC)c1 408832162 QDLWJBSCJBORTB-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 409118796 QFAQHRCGLSTBNB-UHFFFAOYSA-N 437.008 5.903 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1OC 409132459 ZWSHZEGDCMAQOE-FIOICXDGSA-N 425.550 5.542 0 40 IKAB CCOc1c(Cl)cc(C[C@@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409144563 KSJNEKRFLCABCH-HNNXBMFYSA-N 430.740 5.857 0 40 IKAB CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccc(C)o4)c2c1N)CCCC3 1000373 PSBAEEPPFURXIA-UHFFFAOYSA-N 431.561 6.140 0 40 IKAB Cc1ccc([C@H](c2nnnn2C(C)(C)C)N(Cc2ccccc2)Cc2cccs2)cc1 1338671 ODKNWYDOULMRDG-HSZRJFAPSA-N 431.609 5.590 0 40 IKAB CCOC(=O)c1cnc(SC)nc1Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 1398538 XRMNOGGMWAUPAE-UHFFFAOYSA-N 425.354 5.156 0 40 IKAB Brc1ccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)cc1 1447608 DSPPIVBSUJMIBC-IBGZPJMESA-N 449.352 5.441 0 40 IKAB COc1ccccc1-c1c(C)oc2cc(OCc3ccc(Cl)cc3Cl)ccc2c1=O 1815168 QPRCCTFQRNDHQX-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB biogenic CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC(=O)c1cccc(Cl)c1 1919148 QKEWTZSLRHWOMG-UHFFFAOYSA-N 443.908 5.041 0 40 IKAB O=C1c2c(Cl)c(Cl)c(Cl)c(Cl)c2C(=O)N1c1cc(Cl)ccc1Cl 1920463 JVKFTKQSLDVJJV-UHFFFAOYSA-N 429.901 6.408 0 40 IKAB CCN(CC)C(=S)S[C@H](OC(=O)c1ccccc1Cl)c1ccccc1Cl 2274469 GSNIFNNLHKCYCK-SFHVURJKSA-N 428.406 6.209 0 40 IKAB CCN(CC)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2CC)cc1 2433201 NABOGLXWXTWWBO-UHFFFAOYSA-N 444.004 5.195 0 40 IKAB COc1cccc(-c2c(NC(=O)c3ccc(Cl)cc3)n(-c3ccccc3)nc(C)c2=O)c1 2440396 KPTGDZMZMVYONA-UHFFFAOYSA-N 445.906 5.122 0 40 IKAB COc1cccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 2546547 USFTWXPSWQDLAU-XMMPIXPASA-N 443.572 6.222 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2-c2ccccc2C(C)C)c(C)n1C 2620520 AFJULZZRWRXIDH-UHFFFAOYSA-N 445.592 5.383 0 40 IKAB COC[C@H](C)n1c(C)cc(C(=O)CSc2nnc(Nc3ccc(C)cc3)s2)c1C 2623202 FXGJVKLAXIFOQI-HNNXBMFYSA-N 430.599 5.191 0 40 IKAB C[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)C(=O)N(Cc1ccccc1)Cc1ccccc1 2643148 VUZOIAMLBAQQAD-GOSISDBHSA-N 441.449 5.480 0 40 IKAB CCOC(=O)c1c(NC(=O)c2csc3c2CC[C@H](C)C3)sc2c1CC[C@@H](CC)C2 2708175 PCEUAUHOKAPLBU-UONOGXRCSA-N 431.623 5.878 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3cccs3)oc2SCc2ccccc2F)cc1 2721742 WKQLTDZQDZOEMY-UHFFFAOYSA-N 445.562 5.976 0 40 IKAB Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(-c3nc(-c4ccccc4)c(C)s3)n2)cc1C 2733337 JQKMMLQIQBSFDG-UHFFFAOYSA-N 449.623 7.872 0 40 IKAB O=S(=O)(c1ccc(Oc2ccccc2Cl)cc1)N(CC(F)(F)F)c1ccccc1 2890647 VJAQTNWQTHJUHE-UHFFFAOYSA-N 441.858 5.890 0 40 IKAB O=C(COC(=O)Cc1c(Cl)cccc1Cl)Nc1cc(Cl)c(Cl)cc1Cl 3310236 PTZGOLMLPBXSSN-UHFFFAOYSA-N 441.525 5.678 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CSc1cc(C)ccc1C 3376559 OUNJSYPUAFZCSY-UHFFFAOYSA-N 425.575 5.939 0 40 IKAB CC(=O)Nc1cc(-c2ccc(Br)cc2)nn1-c1nc(-c2ccccc2)cs1 3765744 SLRMGFZEXZWYCS-UHFFFAOYSA-N 439.338 5.384 0 40 IKAB Cc1sc2nc(C3CCCCC3)nc(NCCNC(=O)c3ccccc3F)c2c1C 4848601 YVKLLHRFAYMUCO-UHFFFAOYSA-N 426.561 5.337 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc1 6616167 OHCGSKZJAYJUIE-INIZCTEOSA-N 428.598 5.285 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccs3)sc(-c3ccccc3)c2C)c(C)c1 8445648 HBFQXRZAKODECD-UHFFFAOYSA-N 446.597 6.906 0 40 IKAB O=C(Cc1csc(Nc2nc(=S)[nH]c3ccccc23)n1)NCc1cccc(Cl)c1 8667046 OJFAQCUHPNEINO-UHFFFAOYSA-N 441.969 5.005 0 40 IKAB c1csc(-c2nc(CSc3nnc(-c4cccs4)n3C[C@H]3CCCO3)cs2)c1 8709744 IXJQYSWSNDURPR-CQSZACIVSA-N 446.648 5.663 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccc(Cl)cc3)CC2=O)c1 8752415 QRJKVLSJKHCJBX-IBGZPJMESA-N 445.950 5.598 0 40 IKAB COC(=O)c1ccc(NC(=O)Cc2csc(SCc3ccc(Cl)cc3)n2)cc1 8854433 BKSJEPGSEBLNSN-UHFFFAOYSA-N 432.954 5.057 0 40 IKAB Clc1ccccc1-c1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CCCC1 9120030 DUEJGWPQKGWCEG-UHFFFAOYSA-N 437.956 6.056 0 40 IKAB COc1ccccc1Oc1c(C)n[nH]c1-c1ccc(OCc2ccccc2Cl)cc1O 9130587 PLGFDVZIWBVTNP-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB CCCC[C@@H](C(=O)Nc1ccc(Oc2cccc(C)c2)cc1)N1C(=O)c2ccccc2C1=O 9202218 ILHYXPDODDVSIG-DEOSSOPVSA-N 442.515 5.581 0 40 IKAB Fc1ccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccncc2)cc1 9296247 KBWNMSXYWBSWDQ-UHFFFAOYSA-N 431.323 6.068 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3cc(C)ccc3C)c3ccccn23)cc1 9316597 IEAYUIJBDOMFAQ-UHFFFAOYSA-N 427.504 5.020 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12)c1ccc(Br)o1 9413915 VJVGANMPTPWOSY-UHFFFAOYSA-N 443.228 5.432 0 40 IKAB Cc1oc2c(C)c3oc(=O)c(CCC(=O)NCCc4ccccc4F)c(C)c3cc2c1C 9435516 JRWQGXJWHBMRHI-UHFFFAOYSA-N 435.495 5.203 0 40 IKAB CCCCCn1nc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)c2ccccc2c1=O 9463377 MHDDFSZPQDRADC-HXUWFJFHSA-N 446.576 5.174 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)Nc2ccccc2SCc2ccccc2)c1 9464612 HYTKBMYPFZLRTB-UHFFFAOYSA-N 444.556 6.415 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccc(C)cc3)nc3c2COC(C)(C)C3)cc1 9487981 QIFZEAHYCHBROR-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)cc1 9595621 OQQXSKJMHYGEEM-KGLIPLIRSA-N 438.578 6.135 0 40 IKAB Cc1[nH]c2ccccc2c1C(c1ccc(OC2CCCC2)cc1)c1c(C)[nH]c2ccccc12 9804776 NPLYEPAJXOSFAF-UHFFFAOYSA-N 434.583 7.768 0 40 IKAB COc1ccc2c(Cl)c(C(=O)Oc3ccc(Cl)cc3Br)sc2c1 9805624 JXSUAEKYCGZMBR-UHFFFAOYSA-N 432.122 6.198 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nccn3-c3cccc(F)c3)cs2)cc1 9908954 BXZVUYVYKLNREZ-UHFFFAOYSA-N 438.553 5.250 0 40 IKAB COc1cccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3Cl)c2=O)c1 9959562 KJVFMOREAAUWAD-UHFFFAOYSA-N 448.931 5.077 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)N(C)c3ccccc3)ccc2Cl)c1C 10112100 GNNIDRKORROTLV-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(C)c(N(CCCC(=O)N[C@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)c1 10276594 WISQCDOAEYBVDH-HXUWFJFHSA-N 444.641 5.025 0 40 IKAB CC[C@H](NC(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1ccc(Cl)cc1 10918206 AYDQSMDREHWACY-SFHVURJKSA-N 430.957 5.291 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCCCC[C@H]1c1c(Cl)cnn1C 12133788 QFHPFPDRUFKHKH-KRWDZBQOSA-N 433.339 5.448 0 40 IKAB CCc1onc(C)c1C(=O)NCc1ccc(-c2nc(C(C)C)ncc2-c2cc(C)no2)cc1 12159153 OWZKHNBUEDHRTH-UHFFFAOYSA-N 445.523 5.019 0 40 IKAB O=c1c(CN2CCCCC[C@@H]2c2cc(-c3ccc4c(c3)OCO4)on2)coc2ccccc12 12185762 WKDNCCREVKNOCI-OAQYLSRUSA-N 444.487 5.294 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(OC)c(OC)c1)N1N=C(c3cccs3)C[C@@H]21 12196450 ZDVSAQCEHFPQNZ-MHECFPHRSA-N 436.533 5.406 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1cccc(Cl)c1Cl 12249562 FLGCQVNJNKKKPA-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB COc1ccc(-n2c(SCCC(C)C)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1 12436698 QRXICAQHVSTIDH-OAHLLOKOSA-N 428.623 5.719 0 40 IKAB O=C(Nc1ccc(N2CCCCCC2)cc1)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 12524922 UYOQCJXYULZTKM-HXUWFJFHSA-N 439.987 5.211 0 40 IKAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3C(C)C)cc2)cc1 12536313 CUOWDFAZWRIVML-UHFFFAOYSA-N 436.533 5.066 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)COc3ccc4c(C)cc(=O)oc4c3)n2)cc1C 13102034 AJYSKXXYAYVQRD-UHFFFAOYSA-N 434.517 5.168 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 13117932 VPFYLLBIDKHFQV-FQEVSTJZSA-N 444.556 5.554 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNc4cc(C)cc(C)c4)cc23)cc1 13564706 RRJPWIFFBXJQAD-UHFFFAOYSA-N 434.543 5.918 0 40 IKAB Cc1ccsc1-c1nnc(S[C@@H]2CCc3ccccc3C2=O)nc1-c1sccc1C 13566493 YJHJKIDTWKYPPN-QGZVFWFLSA-N 449.626 6.235 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1[C@H](C)Oc1ccccc1Cl 13870839 ALEQKJNSINSWTJ-INIZCTEOSA-N 444.988 5.439 0 40 IKAB CSc1cccc(NC(=O)c2ccccc2SCC(=O)NC2CCCCCCC2)c1 15982351 OYVQQNMGWDYCOD-UHFFFAOYSA-N 442.650 5.982 0 40 IKAB Cc1ccc(C(=O)C[C@@H](Sc2cccc(Cl)c2Cl)c2ccc(Cl)cc2)cc1C 16311917 YOYGQQHSMZPWOZ-JOCHJYFZSA-N 449.830 8.370 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)COc4ccc(C)c(C)c4)c3)nc2c1 16610701 UMNWSBUWEUPWLP-QGZVFWFLSA-N 428.532 6.643 0 40 IKAB CCCOc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1 17095983 FRPVWHGSTCVWNR-UHFFFAOYSA-N 428.536 5.893 0 40 IKAB Cc1ccc(-c2nc3ccccc3[nH]2)cc1NC(=O)COc1ccc(C2CCCCC2)cc1 19630182 CSPIHNGVOQUCBD-UHFFFAOYSA-N 439.559 6.604 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(CN2CCc3ccccc3C2)cc1 20567863 LAXBZXLYHYWUFW-UHFFFAOYSA-N 434.539 6.290 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c(F)c1)c1ccc(-c2ccc(Br)cc2)o1 21576310 NNYDFWOWSMPBPM-UHFFFAOYSA-N 443.316 6.091 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)CC45CC6CC(CC(C6)C4)C5)c3)oc2cc1C 21578645 XWRLDDLXALMVRM-UHFFFAOYSA-N 428.576 6.965 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1)c1ccccc1 22511049 VPBHPIJZKDUQTC-HXUWFJFHSA-N 428.941 5.022 0 40 IKAB COc1ccccc1N(Cc1nc(-c2ccccc2)oc1C)S(=O)(=O)c1cccs1 23055052 KTFBDDYGYRISHT-UHFFFAOYSA-N 440.546 5.116 0 40 IKAB Cc1noc([C@H](C)Sc2nnc(-c3ccc(Cl)cc3Cl)n2C2CCCCC2)n1 24434108 CAMWGEQXUGLSGW-NSHDSACASA-N 438.384 6.302 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cc2ccccc2o1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24831358 BXIHZWJRHPBXOH-NOZRDPDXSA-N 440.499 5.070 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CCCN(C(=O)c5ccco5)C4)cc3)sc2c1 25454348 YAVMQDWFTJOIHZ-GOSISDBHSA-N 445.544 5.356 0 40 IKAB COC(=O)c1c(-c2ccc3c(c2)CCCC3)csc1NC(=O)COc1cc(C)cc(C)c1 28284449 QXANFIFFOKCWHG-UHFFFAOYSA-N 449.572 5.715 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Oc1ccc2cc(Br)ccc2c1 32754530 AAMNJBMYBUQFMM-SFHVURJKSA-N 428.307 5.011 0 40 IKAB CCCCCCOc1ccc(/C=C2/C(=O)N(c3ccc(OCC)cc3)C(=O)N=C2O)cc1 33861687 SERIRJUYJCLKAO-OQKWZONESA-N 436.508 5.551 0 40 IKAB COc1cccc(NC(=O)N(Cc2cc3cccc(C)c3nc2Cl)C2CCCCC2)c1 35311132 DEFBBMVNISOFSI-UHFFFAOYSA-N 437.971 6.572 0 40 IKAB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4cc(Cl)ccc4Cl)o3)S2)c1C 35646189 OWTHUTYNLCBQHZ-JAIQZWGSSA-N 443.355 6.953 0 40 IKAB CCOC(=O)C[C@H](c1ccc(F)cc1)C1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 40086079 UNTCFCUJSAMAJD-OXJNMPFZSA-N 431.552 5.016 0 40 IKAB CCc1ccccc1NC(=O)CNc1ccc(NC(=O)c2ccco2)cc1C(F)(F)F 40155655 WPRVMMLDESQADG-UHFFFAOYSA-N 431.414 5.164 0 40 IKAB Cc1nc(NS(=O)(=O)c2ccccc2)sc1-c1csc(Nc2ccccc2)n1 40556479 NBAXVNKSZQPPKS-UHFFFAOYSA-N 428.564 5.119 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCSCc1ccc(Cl)cc1Cl 44947930 QUZNLEXTUZJDPQ-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB Cc1ccc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)cc1-n1cnnc1 45920556 IIEOARJVMFDEQE-UHFFFAOYSA-N 431.293 5.813 0 40 IKAB O=c1[nH]c(CN(Cc2ccc(F)cc2)C2CC2)nc2scc(-c3ccccc3Cl)c12 57364706 PHLJEKSHHGCEDI-UHFFFAOYSA-N 439.943 5.609 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3c(C)cccc3C)nc3ccsc3c2=O)c1 57488263 PRBCUWICKAFYLT-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB Cc1ccc([C@](O)(CCNC(=O)c2cc(C)n([C@H](C)c3ccccc3)c2C)C(F)(F)F)o1 58440044 XSZICCRPAXQMHX-UZUQRXQVSA-N 448.485 5.186 0 40 IKAB CCOC(=O)c1cccc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(C)cc2C)c1 67297178 CCWAQGQWAKISLI-SGEDCAFJSA-N 440.499 5.711 0 40 IKAB O=C(c1cccnc1)N1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 72349131 AUDGIQURYCYVAN-UHFFFAOYSA-N 425.454 5.106 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CCCN3C(=O)c3c(C)oc4c3CCCC4)n2)sc1C 72375474 UHDJJXNFTNPIKA-LJQANCHMSA-N 436.581 5.656 0 40 IKAB Cc1cccc(CN(Cc2ccccn2)C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)c1 79019511 LJBXYEKDANUDGT-UHFFFAOYSA-N 429.520 5.666 0 40 IKAB CCc1c(C(=O)Nc2ccc(Nc3ccc(C(F)(F)F)cn3)cc2)[nH]c(C)c1C(C)=O 83817338 FTHVQVRWZVLIRY-UHFFFAOYSA-N 430.430 5.498 0 40 IKAB Cc1cccc(-c2nc3ccc(F)cc3n2C(C)C)c1NC(=O)Cc1ccccc1Cl 84224877 ISRHMEIWYLFGNV-UHFFFAOYSA-N 435.930 6.566 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3ccccc3)cc2)cc1 89365482 XKSHWNZZFZOVSD-UHFFFAOYSA-N 442.540 5.431 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)Cc2nc(-c3ccc(F)cc3)no2)c1 95947049 PLBPRIDBWDXTFS-GOSISDBHSA-N 444.510 5.598 0 40 IKAB COCCn1c(C(=O)NCc2cc(F)cc(F)c2)cc2c1c1ccccc1n2C(C)C 96037320 PVBUTQCVQPYTHK-UHFFFAOYSA-N 425.479 5.032 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc(-c3ccsc3)o2)C1 96119107 JMMFMIMAFABKHM-HXUWFJFHSA-N 444.560 5.477 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NCC1(Sc2ccccc2)CCOCC1 96331134 IEDVNMBBGHQVCN-UHFFFAOYSA-N 442.968 5.375 0 40 IKAB OC1=C2C(=Nc3nn(-c4ccccc4)c(O)c3[C@@H]2c2ccc(Br)cc2)CCC1 101071536 FYUDAFDQNSJSPT-GOSISDBHSA-N 436.309 5.554 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@@H](c3ccc(O)cc3)CC1=N2 102727554 MYRHAKXGORPFSA-YEJXKQKISA-N 441.314 6.603 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccccc4Cl)C3=N)n2)cc1OC 102728627 JKXJUOOJBJGRSJ-UHFFFAOYSA-N 427.913 5.247 0 40 IKAB COc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)ccc1OC(F)F 106688568 URDYLYAUBWDABV-SXGWCWSVSA-N 425.840 5.187 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 222949867 WYCMIEUWBVIFQS-GOSISDBHSA-N 433.017 5.156 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223417784 JQYFZFIQXPLCJP-BJKOFHAPSA-N 434.609 5.262 0 40 IKAB CCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 223728949 NKFBHSMVJKRYHT-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1 224216151 BJWQLPMIKHGZDQ-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)N(C)Cc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224220252 IOCBLYQHYOJUFI-UHFFFAOYSA-N 437.539 6.213 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1OC 224574056 WSILQTNFZVZDFV-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C(C)C)c2)cc1Cl 224950229 KLCXBSQKHGOCRO-NHCUHLMSSA-N 426.973 5.303 0 40 IKAB Cc1cc(N)cc(Br)c1NC(=O)c1ccc(-c2cc(Cl)ccc2Cl)o1 226756208 STQUDSDPUZNWRC-UHFFFAOYSA-N 440.124 6.159 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)n1 257255058 KFXXQUCMFKXVIF-GOSISDBHSA-N 445.592 5.708 0 40 IKAB COC(=O)c1cc(NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)ccc1Cl 408549352 XZJAVQBYTRGYJG-UHFFFAOYSA-N 425.937 5.980 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409010638 CRHVXEFXTCMEHD-KOEQRZSOSA-N 434.495 5.825 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(CC)C2=O)cc(Cl)c1OCc1cccc(C)c1 409064145 BXEIUNKSBRXTMP-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccccc3)cc2Br)c1 409259706 CYABNZQKEFOLDL-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB O=C(Nc1cccc(O)c1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@@H]2C(F)(F)F 673801 JEWKVAYOSXNLFR-WCQYABFASA-N 442.850 5.216 0 40 IKAB Cc1ccc(C)c(Cn2c(C)nc3ccc(NC(=O)c4ccccc4Cl)cc3c2=O)c1 930712 ZIUMNVJAYHWDOA-UHFFFAOYSA-N 431.923 5.276 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2cccc(F)c2)s1 1365986 FSJQZQXVCKVOCW-GOSISDBHSA-N 442.478 5.281 0 40 IKAB CC(=O)N(CC[C@@H](c1ccc(C)cc1)[C@H]1CCOC(C)(C)C1)Cc1ccc2c(c1)OCO2 1410113 YSBBYOTWFWUSLC-ZEQRLZLVSA-N 437.580 5.451 0 40 IKAB O=C1c2cc(Br)ccc2NC1(c1c[nH]c2ccccc12)c1c[nH]c2ccccc12 1686474 KAAWPGREZNQISR-UHFFFAOYSA-N 442.316 5.964 0 40 IKAB CCCOC(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C(F)(F)F)oc2c1 1770966 FRFUFQXPFFNMLD-UHFFFAOYSA-N 426.774 6.058 0 40 IKAB COc1ccccc1/C=C/C(=O)Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1 2246389 UXGVEARIAMQGQW-WUKNDPDISA-N 447.498 5.119 0 40 IKAB Cc1ccc(C)c(CSc2nnc(-c3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 2325343 IAAJCTOVAPUBPF-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB COc1ccccc1[C@@H]1C2=C(Nc3ncnn31)c1cc(Cl)ccc1O[C@@H]2c1cccs1 2707468 IIABCXAQRXQWLR-FGZHOGPDSA-N 448.935 5.562 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2SCC(=O)N2Cc2ccccc2)cc1 3243471 WOGKTAFLEOLOOD-SANMLTNESA-N 441.556 5.322 0 40 IKAB CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)NCc1ccncc1 3999350 XVILTHUAMWZVDG-ZODVMDDVSA-N 428.617 5.131 0 40 IKAB biogenic CC[C@@H]1[C@@H](C)[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)c1ccc(C(C)(C)C)cc1 4561819 NTPVNNGNFGYPRG-CMTYHFORSA-N 426.604 7.212 0 40 IKAB Cc1ccc(NC(=O)CC2(C(=O)Nc3ccccc3Cc3ccccc3)CCCC2)cc1 6084647 JGRSNVHWNINSMU-UHFFFAOYSA-N 426.560 6.114 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)N[C@H](c1ccncc1)O2 6177176 GQBPSVFAWAYQDU-QKVFXAPYSA-N 430.291 5.298 0 40 IKAB CCN(CC)CCCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccccc2)cs1 6511319 CVJRQLXNVYZDCP-UHFFFAOYSA-N 428.001 5.842 0 40 IKAB Cc1[nH]c(SCc2nnc(-c3ccccc3Br)o2)nc1Cc1ccccc1 8720097 KDOOIOSUZVOCIP-UHFFFAOYSA-N 441.354 5.414 0 40 IKAB O=c1c2cc3c(nc2nc(SCc2ccccc2)n1-c1cccc(Cl)c1)CCCC3 8739541 BQYUWXUEKQZPBJ-UHFFFAOYSA-N 433.964 5.605 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccccc1Cl 8810472 UXVZOWMWVCGTFX-UHFFFAOYSA-N 438.952 5.123 0 40 IKAB S=c1sc2c(N3CCN(C/C=C/c4ccccc4)CC3)ncnc2n1-c1ccccc1 8846819 KVVOJVPKTJIVNE-JXMROGBWSA-N 445.617 5.047 0 40 IKAB COc1cc(NC(=O)[C@@H](C)c2ccc3c(c2)[nH]c2ccc(Cl)cc23)cc(OC)c1OC 9050499 RYOHDGROYXBPAG-ZDUSSCGKSA-N 438.911 5.743 0 40 IKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)oc3c(sc4ccccc43)c2=O)cc1 9129644 VWCXTDHBYDKQAS-UHFFFAOYSA-N 433.529 6.202 0 40 IKAB Cc1ccc(NC(=O)Cn2c(=O)c(CNc3ccccc3)cc3ccc(C)cc32)c(Cl)c1 9225134 NZSWTAUHGGVDQV-UHFFFAOYSA-N 445.950 5.523 0 40 IKAB O=C(Nc1c2c(nn1-c1ccc(Cl)cc1)CSC2)c1ccc(Br)cc1 9363785 NWRWPIINTOACTH-UHFFFAOYSA-N 434.746 5.287 0 40 IKAB Cc1oc(-c2ccccc2)nc1CN(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9390102 CHZWXFUNXQZDTE-UHFFFAOYSA-N 437.849 5.393 0 40 IKAB CCCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1CC(=O)Nc1ccccc1 9403832 ZDPJESOWMTZHEW-QHCPKHFHSA-N 440.547 5.336 0 40 IKAB CCOc1ccccc1NC(=O)N(CC)c1nc(-c2ccc(Br)cc2)cs1 9607034 XVGWVOQXAPOCGV-UHFFFAOYSA-N 446.370 6.030 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1c(Cl)cccc1Cl 9703444 IAHZUDGDJWALRR-UHFFFAOYSA-N 428.271 5.413 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cccc(C(C)=O)c3)[C@H]2c2ccccc2)cc1 9873086 CZVQFGLSYQRWRW-AOYPEHQESA-N 442.515 5.021 0 40 IKAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2Cc2ccccc2)c(OC)c1 9882317 JFPTXRWGFRDMCF-RUZDIDTESA-N 430.548 5.070 0 40 IKAB CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1cn(-c2ccccc2)nc1-c1ccco1 10435172 QSKHVQSWKXFTLP-JOCHJYFZSA-N 430.895 5.483 0 40 IKAB CCCN(Cc1ccc(C(=O)Nc2ccc(OC)cc2)cc1)Cc1nnc(-c2ccco2)o1 10841972 XHVIDAVPESYXMG-UHFFFAOYSA-N 446.507 5.003 0 40 IKAB COC(=O)[C@H](Oc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)c1ccccc1 11866677 LXXVXZGBKFHYKV-RUZDIDTESA-N 428.484 5.294 0 40 IKAB CC(C)c1ccc([C@H](N[C@H](C(=O)N2CCOCC2)c2ccccc2)c2cccs2)cc1 12750949 UGKPWVXFPQOZKT-DQEYMECFSA-N 434.605 5.151 0 40 IKAB C[C@@H](NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1)c1ccccc1 12845234 RCIZBCLPLCMJIS-CQSZACIVSA-N 435.471 5.505 0 40 IKAB Cc1ccc(C)c(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)c1 13498414 QHWZKIVHOQPAFX-SANMLTNESA-N 446.616 5.741 0 40 IKAB COc1cc2c(c3oc(=O)c(CC(=O)Nc4c(C)cc(C)cc4C)c(C)c13)CCC(C)(C)O2 13690321 VMHXSOJNKUBRNO-UHFFFAOYSA-N 449.547 5.320 0 40 IKAB Cc1nn(Cc2ccc(F)cc2)c2sc(C(=O)Nc3ccc(OC(F)F)cc3)cc12 14128617 KYRHJQLPTLWTBQ-UHFFFAOYSA-N 431.439 5.447 0 40 IKAB O=C(c1csc(-c2ccsc2)n1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 14183887 SAPSTBXKIADTAT-UHFFFAOYSA-N 445.613 5.419 0 40 IKAB O=C(NC(=S)Nc1ccc(Br)cc1)c1ccc(OCc2ccccc2)cc1 14269480 YLBNQENOVZTFAX-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)NC12CC3CC(CC(C3)C1)C2 14357864 LWYMRSXAMOKILY-UHFFFAOYSA-N 444.600 6.186 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)c3sc4ccccc4c3Cl)cs2)cc1 15832794 ISXKTBURIJDROY-UHFFFAOYSA-N 428.966 5.659 0 40 IKAB O=C(COc1ccc(F)cc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 15911396 CEWOUJXBIICTQR-GOSISDBHSA-N 433.266 5.482 0 40 IKAB Brc1ccc(-c2nc3ccc(Br)cn3c2Br)cc1 16429347 AWJVWNLAIKWFGT-UHFFFAOYSA-N 430.925 5.289 0 40 IKAB Fc1ccccc1CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1 16449519 ZLNLXWXQVIILHU-UHFFFAOYSA-N 448.763 6.153 0 40 IKAB Cc1cccc(/N=c2\scc(-c3ccc(Cl)cc3Cl)n2-c2cccc(C)c2)c1 16711460 OPOHFDAJXGDFNL-RWEWTDSWSA-N 425.384 7.362 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Br)cc3F)o2)cc1C 17053225 JKVBUVPRTADYJU-UHFFFAOYSA-N 435.318 5.591 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccccc1-c1nc2ccccc2s1 17096335 LORAFRJKJOMIBE-UHFFFAOYSA-N 429.328 6.288 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=S)NC(=O)C(C)(C)C 17100020 NVYJJUNYWDUDGQ-UHFFFAOYSA-N 436.364 5.969 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccccc2Cl)cc(-c2nc3ccccc3o2)c1O 17101749 PSLGSBIXAYJYPP-UHFFFAOYSA-N 437.908 5.289 0 40 IKAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)nnc2c(-c3ccc(Cl)cc3)cnn12 19817110 WISICLIHQFVUJR-UHFFFAOYSA-N 431.805 5.024 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(CN2CCCc3ccccc32)cc1 20450326 SPKZUPHEMPAEPX-UHFFFAOYSA-N 448.566 6.471 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)CSCc1ccc(Cl)c(Cl)c1 20490062 CGGGKORLBKVHOY-UHFFFAOYSA-N 425.381 5.395 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cccc(Cl)c3Cl)cc2)cc1 20571386 FJSCMHHHKVQXFE-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 20610971 QOKGZHMELOBJHG-AWEZNQCLSA-N 441.318 5.442 0 40 IKAB Cc1c(C)n(-c2ccccc2Br)c2ncn3nc(-c4ccc(F)cc4)nc3c12 21801653 SJCJYZSLCVJGAM-UHFFFAOYSA-N 436.288 5.254 0 40 IKAB Clc1ccc(Nc2cc(-c3ccccc3)nc3c(-c4ccccc4)cnn23)cc1Cl 27586024 PAKUOKYFBQJTRD-UHFFFAOYSA-N 431.326 7.114 0 40 IKAB Cc1nn(COc2cccc(C(F)(F)F)c2)c(C)c1NC(=O)[C@H]1C[C@@H]1c1ccccc1 32609863 SDCQTEGDGCILPL-UXHICEINSA-N 429.442 5.297 0 40 IKAB C[C@@H](Sc1nc2ccccc2c(=O)n1-c1ccccc1)c1nc2ccccc2n1C(F)F 32879654 YUPURHSSFNSPMC-OAHLLOKOSA-N 448.498 5.984 0 40 IKAB CCc1ccc(NC(=O)Nc2ccc(C)c(OCc3cc(=O)n4cccc(C)c4n3)c2)cc1 33067928 YFMPDEATHASQQA-UHFFFAOYSA-N 442.519 5.097 0 40 IKAB Cc1ccc(-n2ccnc2SCc2nc(-c3cccc(Br)c3)no2)cc1 33278090 WOHUOQVLVKFXHP-UHFFFAOYSA-N 427.327 5.286 0 40 IKAB CCc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccncc2)cc1 34869452 RDAHWASAOXXJIA-UHFFFAOYSA-N 436.968 5.716 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccccc4Cl)Oc4ccc(Cl)cc4[C@H]3C2)cc1 36352231 FBNCKCALIKJOOQ-VWNXMTODSA-N 439.342 6.634 0 40 IKAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)N1c2ccccc2Sc2ccccc21 37100511 WQKYFNJOENXNJO-UHFFFAOYSA-N 435.980 5.292 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cc(-c2ccccc2)nc2ccccc12 59241509 WEIFDVUNDFVOPN-UHFFFAOYSA-N 432.548 7.305 0 40 IKAB COc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 63887551 JORHCJHCGXDBCI-UHFFFAOYSA-N 428.488 5.501 0 40 IKAB O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 72330554 ISODBYSWWKPDCB-KCWPFWIISA-N 448.010 5.437 0 40 IKAB CC(=O)N1CC[C@@H](c2c(C(=O)N(C)Cc3cccc4ncccc34)sc3ccccc23)C1 72352575 QBNZYYPWFDRQCK-LJQANCHMSA-N 443.572 5.058 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccc(Cl)cc3)c3ccccc3[nH]c2=O)C[C@H]1c1cccs1 95945264 AKOORTOSILBTON-FQEVSTJZSA-N 447.947 5.608 0 40 IKAB COc1ccc(Cl)cc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 96590609 AGNIBTFDVPCVNL-INIZCTEOSA-N 436.895 5.133 0 40 IKAB CCCN(Cc1nc(-c2ccccc2)c2ccccc2n1)Cc1nc2ccsc2c(=O)[nH]1 96996605 PEXJEHYBNVTZNS-UHFFFAOYSA-N 441.560 5.007 0 40 IKAB CC1=C(CC(=O)NCc2ccco2)c2cc(F)ccc2/C1=C/c1ccc([S@@](C)=O)cc1 101378555 QWSIAAFSNMINOX-JELJHHCJSA-N 435.520 5.190 0 40 IKAB Cc1nn(-c2ccccc2)c(O)c1C(NCCc1ccccc1)(C(F)(F)F)C(F)(F)F 102738011 UZEAEDLAABNTIK-UHFFFAOYSA-N 443.391 5.039 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)NCCSCc1ccc(Cl)cc1 218943128 MIAULFPGMQOZCZ-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB COc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 222382575 ZNCTWZQIKCQSOU-PHIRODEFSA-N 433.507 5.119 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(Sc4ccc(C)cc4)cc3)N21 222689242 GXNCZORZSHCQSE-CTUHWIOQSA-N 431.630 6.521 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(CC)cc1 223230501 FCWQOTMFRABVKG-IBGZPJMESA-N 429.004 5.169 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223715403 HSNODDOIGXLDPN-AREMUKBSSA-N 444.619 5.537 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 223795764 DZOIIIGGIUQXIK-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 223809490 WZMHRGAEBZAFQP-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 223872522 CEWYZRWJSNFESR-GOTSBHOMSA-N 447.947 5.878 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(COc3cccc(C)c3)c2)cc1 224116631 UFHNPQCXBANUOM-UHFFFAOYSA-N 447.531 5.792 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1Cl 224134327 FSCNRZGXGBEPJB-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224211358 ORSBZLLNHPMNBE-RPWUZVMVSA-N 428.536 5.497 0 40 IKAB COc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 224211939 KYYQASDTUYSVTN-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCCOc1ccccc1 224226465 GYEBSMMGDFFZTD-RUZDIDTESA-N 436.596 5.020 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccccc1C(C)C 224234441 OMJRBCLYNKWKLD-UHFFFAOYSA-N 433.504 5.056 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccccc2)cc1COc1ccc2ccccc2c1 224639021 DFZNAYKLZWRXLM-HXUWFJFHSA-N 425.528 6.309 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 224877588 PHMKTZSKNWQLEL-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1Cl 224944799 BAWQXVKBXYFYCP-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225023349 SBLMADKYQGMGKK-HSZRJFAPSA-N 426.988 5.139 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C1CC1 225037903 JJRRVJFBBANHFH-JWQCQUIFSA-N 445.636 5.310 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3Cl)cc2)c(C)c1 225055795 HKMRJCJFEBIMKE-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCCC2)cc1)C1(c2ccccc2F)CCCCC1 225545469 DJZISGFNUIFFFB-UHFFFAOYSA-N 438.587 5.921 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225769362 SUSMOILANGJCGO-VWLOTQADSA-N 429.589 5.506 0 40 IKAB Cc1ccc(-c2ccc(C(=O)O)o2)c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)c1 226355002 LNOHABPAAZCRCR-UHFFFAOYSA-N 436.533 5.378 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccccc2C)n(CC)c1-c1ccc(Cl)c(Cl)c1 408562724 RSRHFSXKBTUDQD-LVWGJNHUSA-N 433.404 6.545 0 40 IKAB COc1cc(C(=S)NCc2ccccc2Cl)ccc1OCc1ccccc1Cl 408572136 FIOAKRGHUFCKJT-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C)c(Br)cc2C)CC1=O 408641492 LZZWTRHTSLUXPR-GOSISDBHSA-N 443.385 5.182 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)CCCOc1ccc(Cl)cc1Cl 408646600 PYMFXNNPWJOAQN-UHFFFAOYSA-N 438.351 5.459 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OCC 408679819 LQQLTIMIESCZLX-UHFFFAOYSA-N 438.549 5.413 0 40 IKAB Cc1cccc(C(=O)N(CN2C(=O)c3ccccc3C2=O)c2ccc(Cl)cc2Cl)c1 408841639 GAIAVUQSUXAEAR-UHFFFAOYSA-N 439.298 5.202 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970766 DJDYBCCSDQLSPU-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB O=C(COC(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)c1ccc(C2CCCCC2)cc1 409002506 NZSARMCMNRKZLC-DEOSSOPVSA-N 449.547 5.261 0 40 IKAB COc1cc(-c2nc(O)c3ccccc3n2)ccc1OCc1c(Cl)cccc1Cl 409262878 GAZXFXNQMSGAGZ-UHFFFAOYSA-N 427.287 5.897 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)c2C(=O)OC(C)C)cc1 674434 VBUWPUVFZHSCHR-IRXDYDNUSA-N 429.538 5.118 0 40 IKAB COc1cc(NC(=O)COc2cccc(C)c2C)ccc1NC(=O)c1cc2ccccc2o1 677998 WAVRIZJVOJYZKA-UHFFFAOYSA-N 444.487 5.328 0 40 IKAB COc1ccc(NC(=S)N(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C2CCCCC2)cc1 874697 SWACXTWVISZHBP-UHFFFAOYSA-N 449.620 5.685 0 40 IKAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@@H](C(=O)NC2CCCCC2)c2ccccc2)s1 1365080 UIJPBQDITKTOID-HSZRJFAPSA-N 447.604 5.597 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)C(=O)c3ccc(Cl)cc3)cc2c1 1366939 GYCIFYKAQAHXTF-UHFFFAOYSA-N 446.934 5.423 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc1OC 1463856 PNAAWNDURGXXTP-UHFFFAOYSA-N 436.891 6.018 0 40 IKAB biogenic O=C(NC[C@@H](O)c1ccccc1)c1cc2c([nH]c3ccccc32)c(-c2cccc(Cl)c2)n1 2120973 ULLQTRHOSBADBL-HSZRJFAPSA-N 441.918 5.500 0 40 IKAB biogenic CCCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 2134858 AMLCWOLXQKHUPA-IDRNJTBQSA-N 448.607 5.600 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)CSc3ncnc4sc(C)c(C)c34)ccc21 2427933 SBKBLJLCDLAMHW-UHFFFAOYSA-N 446.601 6.167 0 40 IKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccc(Cl)cc1)c1ccc2ccccc2c1 2573032 TUSGTDYZJWDGQB-VWLOTQADSA-N 437.391 8.253 0 40 IKAB Cc1cc(C)cc(N(C(=O)c2ccc(N3CCCC3=O)cc2)c2nc3ccccc3s2)c1 2618802 GDJITAVDBABOMC-UHFFFAOYSA-N 441.556 6.018 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1 2753088 AKPLCGAHGOFCHF-UHFFFAOYSA-N 430.529 6.138 0 40 IKAB Brc1ccc(-c2cc3nc(-c4ccccc4)cc(-c4ccccc4)n3n2)cc1 3022439 KKHLPDJSMAHKRH-UHFFFAOYSA-N 426.317 6.493 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc(Cl)s1 3200946 KXKVWRFGUHZSCS-UHFFFAOYSA-N 431.007 6.871 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(Cl)ccc2C)c2c(-c3ccccc3)cc(=O)oc2c1 3233817 OJBHBHDPGQARFT-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CC(c1ccccc1)c1ccccc1)c1ccccc1 3326848 MHWQYUKVYHPSHW-QFIPXVFZSA-N 448.566 6.338 0 40 IKAB C[C@H]1CC[C@@](C)(COC(=O)c2ccccc2C(=O)OC[C@]2(C)CC[C@H](C)C2(C)C)C1(C)C 3846141 NKAAAQIOGVGJLI-DXBSEXLMSA-N 442.640 6.925 0 40 IKAB CCCCCC(=O)OCP(=O)(COC(=O)CCCCC)COC(=O)CCCCC 4777484 JOTNXQQVHLDHQW-UHFFFAOYSA-N 434.510 5.593 0 40 IKAB COc1cc(OC)cc(C(=O)Oc2ccc3c(=O)c(Oc4cc(C)cc(C)c4)coc3c2)c1 6162620 LULJXXMAUHOZLK-UHFFFAOYSA-N 446.455 5.439 0 40 IKAB COc1ccc(C(=O)N(Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)cs2)cc1 6924784 VIMUCDAFIPTJIM-UHFFFAOYSA-N 434.948 6.319 0 40 IKAB COc1ccc([C@H]2C=C(Nc3ccc(Cl)cc3)C(=O)N2c2ccc(Cl)cc2)cc1 7059993 BAZZPSFUODTXCF-JOCHJYFZSA-N 425.315 6.086 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](NCc2ccccc2CN2CCCCC2)c2ccccc2)c1 8749996 PGDZJCISDVQEPM-NDEPHWFRSA-N 441.619 5.759 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1oc2ccccc2c1COc1ccccc1 8818912 DMLDYFSSUHYAIN-UHFFFAOYSA-N 440.524 6.311 0 40 IKAB Cc1cc2oc3c(c2cc1NS(=O)(=O)c1ccc2c4c(cccc14)C(=O)N2)C[C@@H](C)CC3 8870434 GQRSUVHCFAIHHU-ZDUSSCGKSA-N 446.528 5.386 0 40 IKAB O=C(Nc1ccc(C(=O)OC2CCCCC2)cc1)c1ccc(I)cc1 8904026 NCHOPXSYGPPETC-UHFFFAOYSA-N 449.288 5.033 0 40 IKAB CCCOc1cccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 9280905 VVWSNHNUGBQQRK-QHCPKHFHSA-N 426.472 5.035 0 40 IKAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)N1CCC[C@H](c2nc3ccccc3s2)C1 9593247 ICSKRVZPIYRMIF-ZDUSSCGKSA-N 442.997 5.324 0 40 IKAB Cn1c(-c2cccc(Br)c2)cn2cc(-c3cccc(Br)c3)nc12 9805788 CMLABAGRYUMLFP-UHFFFAOYSA-N 431.131 5.532 0 40 IKAB CC(C)(C)c1ccc(CCC(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1 10330508 XILQQAGEVJRTHR-UHFFFAOYSA-N 442.625 5.120 0 40 IKAB Cc1cc(C)c2nc(N(C[C@@H]3CCCO3)C(=O)c3cc(Cl)sc3Cl)sc2c1 11142402 COUCHMPQVPDKFN-LBPRGKRZSA-N 441.405 6.107 0 40 IKAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)NCC12CC3CC(CC(C3)C1)C2 12482351 JUSDIWDBXGNAFC-AIRYCRCHSA-N 442.953 6.128 0 40 IKAB COc1ccc(C(=O)N2CCC[C@H](C(=O)Nc3ccc(C)cc3Cl)C2)c2ccccc12 12922426 SQHZHOBBPANHRA-KRWDZBQOSA-N 436.939 5.301 0 40 IKAB CCCn1nc(C(=O)Nc2ccc(-c3nc4ccccc4s3)cc2)c2ccccc2c1=O 13000921 UFVQTPIMZPVKOX-UHFFFAOYSA-N 440.528 5.336 0 40 IKAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=S)CC1 13070588 UWXXYQOSDJCUTR-UHFFFAOYSA-N 433.408 6.066 0 40 IKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)C[C@H]1c1ccco1 13126270 QWJXAQSWBVJBKO-QHCPKHFHSA-N 440.503 5.229 0 40 IKAB O=C(CSc1nnc(-c2cccs2)c(-c2cccs2)n1)c1cc(F)ccc1O 13567136 VLMRJBRMGWQAGY-UHFFFAOYSA-N 429.523 5.148 0 40 IKAB COc1ccc(OC)c(-c2nc(-c3cccc(Cl)c3Cl)c(-c3ccccc3)[nH]2)c1 13582152 SMUWENHUAXGHJG-UHFFFAOYSA-N 425.315 6.735 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(-c4ccc(-c5ccccc5Cl)o4)[nH]c(=O)c23)C1 13941839 OWDIWCMLJNWJJP-CYBMUJFWSA-N 438.980 6.716 0 40 IKAB COc1ccc2nc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)sc2c1 14269501 WZHJVMPOGZFNHG-UHFFFAOYSA-N 449.557 5.011 0 40 IKAB O=C(NC(=S)Nc1cccc(Br)c1)c1cccc(OCc2ccccc2)c1 14269510 DBVSRRIYSLZHFI-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB Cc1cc(NC(=O)c2ccccc2C)n(-c2nc3ccccc3n2Cc2ccc(F)cc2)n1 14359055 BUDOCBTUOZRHJG-UHFFFAOYSA-N 439.494 5.279 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)Nc2ccccc2C(=O)N2CCCCCC2)cc(C)c1Cl 14397735 NWNVLLPUFVGWOG-SFHVURJKSA-N 428.960 5.379 0 40 IKAB Cc1cc(C)n2nc(SCc3ccccc3C(=O)Nc3ccc(Cl)cc3C)nc2n1 14492724 KGQIZQWYWSRIPK-UHFFFAOYSA-N 437.956 5.248 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=CC3=C2[C@H](c2ccccc2)n2ncnc2N3)cc1 15303490 COOSSAZYXWEGIW-SQHAQQRYSA-N 432.527 5.827 0 40 IKAB OC1=N[C@@H](c2ccc(Cl)c(Cl)c2)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 15947390 FZPAUWNOUMTNBQ-HXUWFJFHSA-N 444.387 6.042 0 40 IKAB COc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)cc(Br)c1OC 15947680 QPICGJYSQHRQCU-HUTHGQBESA-N 437.359 5.082 0 40 IKAB O=C(NC[C@H]1CCC[C@@H](CNC(=O)Nc2ccc(Cl)cc2)C1)Nc1ccc(Cl)cc1 16428368 DTRINMQUDXHKSE-IYBDPMFKSA-N 449.382 5.743 0 40 IKAB O=C(Nc1cccc(NC(=O)Nc2cccc3ccccc23)n1)Nc1cccc2ccccc12 16544991 VEXBRKGQAOGXCO-UHFFFAOYSA-N 447.498 6.676 0 40 IKAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccccc1Cl 16689268 GUUGWFRJCNHTOD-UHFFFAOYSA-N 425.912 5.306 0 40 IKAB Clc1ccccc1OCc1nnc(SCc2cc(Cl)c3c(c2)OCCCO3)o1 19298075 MPYZMZXKPCNLRY-UHFFFAOYSA-N 439.320 5.409 0 40 IKAB c1ccc(CCN(Cc2cccs2)[C@@H](c2cccnc2)c2nnnn2C2CCCC2)cc1 19371154 MGOIFMRYBHUXDU-DEOSSOPVSA-N 444.608 5.079 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2)cc1C 19946858 JPVWSMWWHJIHIL-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cc(Cl)ccc2Cl)o1 20140046 SLPMGRWREFCLNK-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)c(Cl)c1)c1ccc(-c2cccc(Cl)c2)o1 20140240 OZBBPADLFCCRAB-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB CCc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 20192588 NCCPNGZHQJVUIY-UHFFFAOYSA-N 430.533 6.235 0 40 IKAB Cc1ccccc1OCC(=O)Nc1ccc(SCc2nnc(-c3ccccc3)o2)cc1 20419004 IUNXZJKKAUALKV-UHFFFAOYSA-N 431.517 5.355 0 40 IKAB CC(C)OC(=O)c1ccc(NC(=O)c2ccc(-c3cc4ccccc4oc3=O)cc2)cc1 20528980 UDQRXIMVSVPLLQ-UHFFFAOYSA-N 427.456 5.278 0 40 IKAB CCCCN(C(=O)/C=C/c1csc(N(C(C)=O)c2ccccc2F)n1)c1ccccc1 21337272 KDNVQZKRBSVJKN-CCEZHUSRSA-N 437.540 5.813 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1C 21456830 FYNGWYXMEVJZCN-UHFFFAOYSA-N 441.771 5.482 0 40 IKAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(-c4ccccc4Br)nc3c12 21801085 DDFAZARAGBMPPP-UHFFFAOYSA-N 432.325 5.174 0 40 IKAB CCSc1nnc(NC(=O)Cc2csc(Nc3cccc(C(F)(F)F)c3)n2)s1 23235693 NKZBAMRVRWWGQY-UHFFFAOYSA-N 445.517 5.050 0 40 IKAB CCCOc1cccc(C(=O)N(CC)[C@H](c2ccc(C)cc2)c2c[nH]c3ccccc23)c1 27993268 DPGAQICZGWPYIQ-HHHXNRCGSA-N 426.560 6.517 0 40 IKAB COc1cc(OC)c(NC(=O)c2nc3ccccc3nc2NCc2ccccc2)cc1Cl 32643014 LROSZQOVZGPHMQ-UHFFFAOYSA-N 448.910 5.165 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nn2c1N=C(O)C[C@@H]2C(=O)Nc1cc(F)c(F)c(F)c1 35684912 KUKIYHPVKVZTEO-OAHLLOKOSA-N 434.805 5.101 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2nnc(-c3ccccc3Cl)o2)C(C)C)cc1Cl 40017316 OCEQJZRPUSESQC-UHFFFAOYSA-N 432.351 5.722 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3ccccc3C)nc3ccsc3c2=O)cc1C 57426342 IBQUWLIDDMYJEJ-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB Clc1ccc(OCc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c(Cl)c1 72333573 LLTKLLQTWDSVAC-UHFFFAOYSA-N 435.380 5.539 0 40 IKAB Cc1ccc(C(=O)Nc2nc(C34C[C@@H]5C[C@H](CC(c6ccc(C)cc6)(C5)C3)C4)cs2)cc1 100497267 KYZNXPYYTJORFF-VHDHYXBKSA-N 442.628 6.802 0 40 IKAB O=C1/C(=C\Nc2c(Cl)cccc2Cl)c2ccccc2C(=O)N1c1cccc(Cl)c1 102256317 YMFJWAVNTSWAGL-ATVHPVEESA-N 443.717 6.287 0 40 IKAB COc1ccc(CCn2c(-c3ccc(F)cc3)cs/c2=N/c2cccc(C)c2)cc1OC 102962765 SFFHZMHWYACHLG-BYCLXTJYSA-N 448.563 6.156 0 40 IKAB CCN(CC)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@H](c4ccccc4)C3=C(O)C2)cc1 103450742 WMUGBHWKXAIERP-KPURRNSFSA-N 437.587 7.162 0 40 IKAB COc1ccc(OC[C@@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219769046 MHGKDCYVZDSERI-QGZVFWFLSA-N 425.912 5.125 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(CN(c2ccccc2F)S(C)(=O)=O)cc1 222388007 BIBYBJDGRBKMFI-UHFFFAOYSA-N 446.931 5.006 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 223078753 PNIOYZUGBJVXOO-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)c(C)n1Cc1ccccc1 223342580 XLDGGMSAYKLENQ-JWQCQUIFSA-N 442.588 5.314 0 40 IKAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccccc1Cl)c1ccccc1 223343317 TUOKCEPUOWKAKQ-RUZDIDTESA-N 434.967 5.526 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 223372774 DYRIBMRVSQKERX-HOFKKMOUSA-N 442.603 5.092 0 40 IKAB COc1cccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc(OC)c(F)c2)c1 223655936 IRYYFQSWPGJGIV-UHFFFAOYSA-N 437.876 5.089 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 223746103 BMRKKOFJOOUPKQ-UHFFFAOYSA-N 440.008 6.565 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224006002 HXBWYUGRQVBBHS-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1C 224110118 SBJDDFVGDGUWLA-HHHXNRCGSA-N 442.603 5.012 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)c1 224311511 BLXHQHAQFQGBMC-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2C)cc1COc1ccc(-c2ccccc2)cc1 224552792 JXSUZTCILWEFDD-UHFFFAOYSA-N 437.539 6.892 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccccc1)[C@H](Cc1ccccc1)C(=O)NC(C)C 224769731 LBJLOZFXGGPZRB-HHHXNRCGSA-N 442.603 5.092 0 40 IKAB CCc1cccc(CC)c1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224890207 KJRUQDKUIYSADH-UHFFFAOYSA-N 427.342 5.800 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 225629367 GGYWAJJYIDIJDJ-XXBNENTESA-N 445.003 5.058 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2CCC(C)CC2)cc1 225696087 SSWPMWCNPMPNGS-UHFFFAOYSA-N 432.649 5.603 0 40 IKAB Cc1cc(C)nc(Nc2cccc(C(=O)N3c4ccc(Br)cc4C[C@@H]3C)c2)n1 225914338 ARTIYJISSWZMMR-HNNXBMFYSA-N 437.341 5.191 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2ccc3ccccc3c2)o1 408638012 PPWZIIVXMRLANO-UHFFFAOYSA-N 425.897 5.283 0 40 IKAB O=C1S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccccc1 408808400 GGBFSLRSIHVMTP-UCQKPKSFSA-N 444.943 6.584 0 40 IKAB O=C(CSCc1ccccc1Br)NCCSCc1ccccc1Cl 408868777 OQPVSPBRMLMQJJ-UHFFFAOYSA-N 444.847 5.385 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409176557 RDBGKCMDFPVOPM-CFHRKGSBSA-N 426.604 6.603 0 40 IKAB Clc1ccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)cc1 409184486 YMMYPRAGEBPWAR-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Fc1ccccc1COc1c(Cl)cc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 409196610 WTWWQUCQODZAMJ-UHFFFAOYSA-N 445.148 7.630 0 40 IKAB O=[N+]([O-])/C=C/c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 409369282 JTYGKQAYVJXLIH-AATRIKPKSA-N 447.510 5.691 0 40 IKAB Cc1coc2c(C)c3oc(=O)c(CC(=O)N4CCCC[C@H]4c4cccnc4)c(C)c3cc12 526052336 GUMJHDWJZPTPIB-QFIPXVFZSA-N 430.504 5.156 0 40 IKAB Cc1ccccc1CC(=O)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643575427 FDASCTWAGKOARF-UHFFFAOYSA-N 430.548 5.706 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@H]([C@@H](C)CCCC(C)C)CC[C@@H]12 2049238410 QGGRDHGCNNAWIE-KOHWPLFKSA-N 444.700 7.218 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1Br 649386 OYZRTMRAQHZFLJ-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)c4cccc(OCc5ccccc5)c4)cc3n2)cc1 678721 KAGRBYYNSCDRCS-UHFFFAOYSA-N 448.526 5.814 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)cc(C)c3nc2Cl)C(=O)C2CC2)cc1OC 1339447 GZIJAZWOALJTEO-UHFFFAOYSA-N 438.955 5.461 0 40 IKAB Cn1c(COc2cccc3cccnc23)nnc1SCc1ccc(Cl)cc1Cl 1480431 ZIPUJYBFHCUEMZ-UHFFFAOYSA-N 431.348 5.541 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)c(C)c1 1773941 NKIMYSFCVVGLKZ-GOSISDBHSA-N 425.594 6.310 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccccc4OC)c3)nc2c1 1838559 REGHWBMYBCVMJU-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB O=C(Oc1ccc(CCN2C(=O)c3ccccc3C2=O)cc1)c1ccc(-c2ccccc2)cc1 1917859 HJBAYSHUKPRVGS-UHFFFAOYSA-N 447.490 5.412 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccc(F)cc2F)CO4)cc1 2118366 AAMCPNKYWANYDS-UHFFFAOYSA-N 435.426 5.412 0 40 IKAB biogenic COc1ccc(NC(=O)[C@@H](Nc2ccc(C(F)(F)F)cc2Cl)C(C)C)c(OC)c1 2617730 POYFGYXEBDGIRW-SFHVURJKSA-N 430.854 5.451 0 40 IKAB O=C1c2ccccc2N[C@@H](c2c(Cl)cccc2Cl)N1c1ccc(Br)cc1 2747036 XHZLLPYDOOOFMK-LJQANCHMSA-N 448.147 6.527 0 40 IKAB Cc1ccc(C(=O)NC[C@]2(C)C[C@H](NC(=O)c3ccc(C)c(C)c3)CC(C)(C)C2)cc1C 2752493 KSIKJNIQBQLYQP-UFHPHHKVSA-N 434.624 5.665 0 40 IKAB CC(C)(C)c1cc(C(F)(F)F)nc(SCCCNC(=O)CCc2ccccc2)n1 2798702 BEDQTJAAVIUUMU-UHFFFAOYSA-N 425.520 5.024 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(OCc4ccc(Cl)cc4Cl)ccc3o2)cc1 2886912 PXOYQGKXGKYICC-UHFFFAOYSA-N 427.283 6.354 0 40 IKAB Cc1ccc(NCC(=O)Nc2ncc(Cc3cc(C(F)(F)F)ccc3Cl)s2)cc1 2887745 QRUZSZKIQMOPRO-UHFFFAOYSA-N 439.890 5.765 0 40 IKAB O=C(Nc1ncnc2sc3c(c12)CCCC3)c1cc(-c2ccccc2)nc2ccccc12 3069509 CDVFPUBWYDQHFF-UHFFFAOYSA-N 436.540 6.038 0 40 IKAB FC(F)(F)c1cnc(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(Cl)c1 3339006 ZLNBTOKSNFPADP-LLVKDONJSA-N 446.907 5.404 0 40 IKAB CC(C)(C)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2cccc(Cl)c2)cc1 3340273 ITUYBDIYNLWUPK-UHFFFAOYSA-N 427.997 6.029 0 40 IKAB COc1cc(C)c(COC(=O)CCN2c3ccccc3Sc3ccccc32)cc1OC 3449247 MWIXIWXWBURNCR-UHFFFAOYSA-N 435.545 5.748 0 40 IKAB CC(=O)OC1=CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 4023130 YXUGUUGNHVVXAI-LIFKPSPXSA-N 428.701 8.165 0 40 IKAB biogenic COc1ccc(CN2C(=O)c3ccccc3[C@@H]2N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4676898 CPLKMMGVQMTAPZ-QFWDNIQQSA-N 430.592 5.544 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 6410150 SFLWQEXYYUXLNA-HXUWFJFHSA-N 447.648 5.915 0 40 IKAB COc1ccc(OC)c(NC(=O)CSC2=NC3(CCCCCC3)Nc3ccccc32)c1 8756971 JVVDKINAPFEIFG-UHFFFAOYSA-N 439.581 5.298 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1-c1cccc(C(F)(F)F)c1)c1ccccc1 8761753 KECIRKQYSXVOBI-UHFFFAOYSA-N 440.450 5.323 0 40 IKAB C[C@H](CCCC(C)(C)Cl)CCOC(=O)CCC(=O)Nc1ccc(Cl)c(Cl)c1 8781092 DFCNYSMNQAINME-CQSZACIVSA-N 436.807 6.469 0 40 IKAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1ccc(-c2ccc(Cl)cc2Cl)o1 8831524 SLVYSQQYVHZURC-UHFFFAOYSA-N 449.403 5.682 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](C)Sc2c(C)[nH]c3ccccc23)sc2c1CCC2 8922789 NPWXOTQMVAHVFL-ZDUSSCGKSA-N 428.579 5.323 0 40 IKAB CCCN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3cccs3)=NN12 9046588 CBZNIZRDUSZYLF-GOSISDBHSA-N 446.414 5.256 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3Cl)cc2O)cc1 9130173 QFIVQJODABSYHT-UHFFFAOYSA-N 433.895 5.339 0 40 IKAB biogenic Cc1cc(Cl)ccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 9320730 BUEMVFNTZPXTMG-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB CCCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCCC(C)C)c1 9409263 YCZVIVXSIWFFNP-RUZDIDTESA-N 433.552 5.553 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)c1ccc(OC(=O)c2ccco2)cc1 9499355 GSXLKQMKIFMMMV-UHFFFAOYSA-N 440.451 5.057 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ncccc4o3)ccc2Cl)cc1 9557814 NFQFAWWMBGIYOW-HNNXBMFYSA-N 435.911 6.074 0 40 IKAB Cc1cc(C)c2nc(-c3ccccc3)cc(C(=O)Nc3ccc4c(c3)oc3ccccc34)c2c1 9581437 JGMIIIJHKZCVBY-UHFFFAOYSA-N 442.518 7.670 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc2c(c1)OCO2 9634269 IFZIKBQHYAQVGW-UHFFFAOYSA-N 430.485 5.468 0 40 IKAB CCc1ccc(-n2c(SCCOc3ccccc3Cl)nnc2-c2ccccc2)cc1 9763798 MBUWYSHLTFOSMS-UHFFFAOYSA-N 435.980 6.321 0 40 IKAB Fc1ccccc1[C@H]1C2=C(Nc3nnnn31)c1cc(Cl)ccc1O[C@@H]2c1ccsc1 10336748 KTCBMXXVDGBOPP-VQTJNVASSA-N 437.887 5.087 0 40 IKAB COCCCn1c(SCc2ncc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O 11528331 YINZUFLBFNUQCQ-UHFFFAOYSA-N 441.940 5.034 0 40 IKAB COc1ccc(-c2cc(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCCCC3)no2)cc1 11905302 YLKPSNXYNWOSSH-XMMPIXPASA-N 433.552 5.006 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@H]3c2ccc(OCC)cc2)cc1 12196602 GEVDRPVWKFXUFD-IGKIAQTJSA-N 444.531 5.735 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 12956774 POSVYGJUZMZWOV-UHFFFAOYSA-N 430.373 6.024 0 40 IKAB O=C(Nc1ccccc1N1CCCC1=O)c1cn(Cc2ccccc2)nc1-c1cccs1 12973025 ZKNWEYWEAAXHIZ-UHFFFAOYSA-N 442.544 5.039 0 40 IKAB CCn1c(S[C@@H](C)c2nc(C(C)C)no2)nc2scc(-c3cccs3)c2c1=O 13005723 USHNEJXAZKYULX-NSHDSACASA-N 432.596 5.566 0 40 IKAB CC(=O)c1cc(Br)ccc1OCC(=O)N[C@H](C)c1ccc(CC(C)C)cc1 13130671 UKGXOESSTSTLCT-OAHLLOKOSA-N 432.358 5.106 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccco1)C3=O 13777530 AMHAXGJIKOJMKU-XMMPIXPASA-N 441.527 6.046 0 40 IKAB CCc1nnc2sc(-c3ccc(NC(=O)c4sc5ccccc5c4Cl)cc3)nn12 13839289 XTGQELNUXCNIIL-UHFFFAOYSA-N 439.953 5.536 0 40 IKAB COc1cc(OC)cc(C(=O)NC(=S)Nc2nc(-c3cccc4ccccc34)cs2)c1 13943581 CKLPHCKVZIMOOG-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@H]2CCCC[C@@H]2C)c1 14075401 AKOCAXHHNBGBCQ-RDJZCZTQSA-N 446.041 6.695 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 14649499 QCYLLNMSKUDRES-UHFFFAOYSA-N 441.163 5.527 0 40 IKAB Cc1ccc(/N=c2\scc(-c3ccc4c(c3)OCCO4)n2C2CCCC2)cc1Cl 15910643 LLUVMWIKTYTQEW-BZZOAKBMSA-N 426.969 6.297 0 40 IKAB O=C(OC1CCCCCCCCCCC1)c1nn(Cc2ccccc2)c(=O)c2ccccc12 16044172 YCNNIHMAWTXUQT-UHFFFAOYSA-N 446.591 6.275 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc3ccccc3c2)c2cccc(C)c2)cc1 16309866 ZRCMLECLDQWILM-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB CCc1ccc(-c2cc3c(SCC(=O)Nc4cccc(SC)c4)nccn3n2)cc1 16841690 FLHIWLFNIVCKTN-UHFFFAOYSA-N 434.590 5.411 0 40 IKAB COc1ccc(NC(=O)Nc2nc(CCC(=O)Nc3ccc(C(C)C)cc3)cs2)cc1 16849103 LSCDWNNYCFVKCA-UHFFFAOYSA-N 438.553 5.490 0 40 IKAB Cc1ccc(-c2csc(N3N=C4c5ccccc5CC[C@@H]4[C@]3(O)C(F)(F)F)n2)cc1 16957573 SNXRDYREUBKUGY-UWJYYQICSA-N 429.467 5.156 0 40 IKAB Cc1ccc2nc(NC(=O)/C=C/c3ccc(-c4cc(Cl)cc(Cl)c4)o3)sc2c1 17096344 FDQSEMFQBGJGHP-QPJJXVBHSA-N 429.328 6.823 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)c1cc(-c2cccs2)nc2ccccc12 17200850 CQHFNNDYAHHVMU-UHFFFAOYSA-N 446.535 6.759 0 40 IKAB CC(C)c1cc(C(F)(F)F)c2c([C@H]3CCCN(C(=O)c4cnn(C(C)C)c4)C3)noc2n1 19452083 NGUTXYZPJACUBL-AWEZNQCLSA-N 449.477 5.162 0 40 IKAB Cc1cc(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)cc(C)c1Cl 19633227 RVSXSMWKDHIRKY-UHFFFAOYSA-N 441.318 5.362 0 40 IKAB COC(=O)c1ccc(CS(=O)(=O)Nc2ccc(CSc3ccccc3)cc2C)cc1 20452939 ZHXSQNRVVHBEQZ-UHFFFAOYSA-N 441.574 5.016 0 40 IKAB CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3nc4ccccc4n32)ccc1O 20797295 OKTRASHWAPXKDK-XMMPIXPASA-N 440.503 5.068 0 40 IKAB Cc1ccc(-n2nc(-c3ccccc3)c3cnc4cc5c(cc4c32)OCCO5)cc1Cl 21017658 AXXRYIOLVXREKX-UHFFFAOYSA-N 427.891 5.974 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)c(C)cc4o3)ccc2C)cc1 21578912 CCXAEYMKIOCYCJ-UHFFFAOYSA-N 443.572 6.109 0 40 IKAB COc1cccc(CNC2C3CC4CC(C3)CC2C4)c1OCc1ccc(Cl)cc1Cl 22073708 QOSGTJJVWYHTIC-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB Cc1cccc(C)c1-n1c(SCc2nc(-c3cccs3)no2)nc2ccccc2c1=O 23200354 ZMVCUVHTWUWWNZ-UHFFFAOYSA-N 446.557 5.406 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2c(-c3c(F)cccc3Cl)noc2C)c(C)c1 23793481 OBPWJTHAWLIWFQ-UHFFFAOYSA-N 443.906 5.078 0 40 IKAB Cc1ccc(N[C@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770773 OMOLETYQAPJVGW-RUZDIDTESA-N 426.585 7.127 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 27015807 IFWQEPZBUQMECD-XKGZKEIXSA-N 435.326 5.154 0 40 IKAB COc1ccc([C@H](CC(=O)NC2CCCCC2)c2cc(Br)ccc2O)cc1 27517418 GMZOHOIMPREEPS-IBGZPJMESA-N 432.358 5.134 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 28288956 JHAYAKJCBSUBBK-IBGZPJMESA-N 445.346 5.057 0 40 IKAB CC(C)c1ccc([C@H](CNC(=O)c2sc3ccccc3c2Cl)N2CCOCC2)cc1 28291786 UOVNFMFGHHEFMF-FQEVSTJZSA-N 443.012 5.481 0 40 IKAB Cc1cc(OCCCn2c([C@@H]3CC(=O)N(C(C)(C)C)C3)nc3ccccc32)ccc1Cl 31903673 KTEMSOOIKWCOFH-GOSISDBHSA-N 439.987 5.582 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1ccccc1n2Cc1ccccc1Cl 35400281 NEZQNJGCXSOPSB-UHFFFAOYSA-N 434.326 5.755 0 40 IKAB FC(F)Oc1ccccc1[C@@H]1Oc2ccccc2[C@H]2CC(c3ccc(Cl)cc3)=NN12 39929782 SYYYXSMEMGDUPA-KNQAVFIVSA-N 426.850 6.184 0 40 IKAB CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccsc1C(=O)NC1CCCCCCC1 48991323 MYZQXSUFPPRTBK-UHFFFAOYSA-N 441.018 5.069 0 40 IKAB CC(C)(Oc1ccc(Br)cc1)C(=O)Nc1ccc(N2CCCC2)c(Cl)c1 57316114 SRHOOMRAVWMGKZ-UHFFFAOYSA-N 437.765 5.499 0 40 IKAB CCCN(CC(=O)Nc1ccccc1C(F)(F)F)[C@@H]1CCCN(Cc2ccccc2)C1 58268050 TVXJLUHLHGEDOK-HXUWFJFHSA-N 433.518 5.021 0 40 IKAB CC[C@@H](C)Sc1ccc(NC(=O)c2ccccc2OCCOC)c(C(F)(F)F)c1 60306163 MQXWXDUPFRTCOI-CQSZACIVSA-N 427.488 5.874 0 40 IKAB c1ccc(-c2nc(N3CCC(n4cncn4)CC3)c3c(-c4ccccc4)csc3n2)cc1 62582580 TXAMLFHPRILLTF-UHFFFAOYSA-N 438.560 5.458 0 40 IKAB CCOc1ccccc1/N=c1\oc2c(OC)cccc2cc1C(=O)Nc1cccc(C)n1 67295652 OQRGAFYNYDDPLI-RFBIWTDZSA-N 429.476 5.028 0 40 IKAB CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(C(=O)CC(C)(C)C)CC1 72345206 JJAFBQCIXUHGSX-UHFFFAOYSA-N 438.587 5.216 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@@H](NC(=O)c2ccccc2C(F)(F)F)C1 72396215 CUJANVFRNQURTQ-FQEVSTJZSA-N 427.470 5.394 0 40 IKAB O=C(NCc1cc(F)cc(F)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037746 LKFYDXRXJFEALO-UHFFFAOYSA-N 444.485 5.230 0 40 IKAB O=c1c(C2=NCCCCC2)c2[nH]c(-c3ccc(Cl)cc3Cl)cn2n1-c1ccccc1 102607629 WFCRKDUOCPXXPO-UHFFFAOYSA-N 439.346 5.755 0 40 IKAB C[C@@H]1C[C@@H](C)CN([C@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 102894181 NSDJYQKFIXYEHY-HBUWYVDXSA-N 442.972 5.477 0 40 IKAB COc1ccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 107944500 DGSXGDBORTZBCW-UHFFFAOYSA-N 435.863 5.140 0 40 IKAB CCCCc1ccc(NC(=O)[C@H](C)N(c2cc(Cl)cc(Cl)c2)S(C)(=O)=O)cc1 220253382 YKJGQIWWFKXDKZ-AWEZNQCLSA-N 443.396 5.129 0 40 IKAB Cc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c(C)c1 224002683 MAWDFLRMRJZBMK-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224343172 KQCFHDRBYDYAKV-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB COCCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C(C)C)cc2)c1C 224365386 QAGKRAHSXGCNKI-LOSJGSFVSA-N 448.636 5.447 0 40 IKAB Oc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 224616209 HKHJPKROTUZHMF-GOTSBHOMSA-N 431.492 5.363 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)cc2)[C@@H](C)C(=O)NC2CCCCC2)c1 224812703 ZKWLWDUXGZCOJP-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225095655 SGLBEKLYLHKZMA-OALUTQOASA-N 447.044 5.214 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3c(c2)sc(=O)n3C(C)C)cc(C)c1Br 225156456 WJWCHDKCFUJIHQ-UHFFFAOYSA-N 449.370 5.041 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(OC3CCCC3)cc2)cc1NC(=O)C(C)C 225251623 MHGSHZQFYKCCCB-UHFFFAOYSA-N 448.610 5.125 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)[nH]1 225362582 XYIOFSDQWMLDOX-RPWUZVMVSA-N 432.593 5.525 0 40 IKAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225581900 HHOIOVVDSOUGFQ-JOCHJYFZSA-N 427.683 5.920 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)c(C)c1 225603056 FGUYNQHASMOHBN-CVDCTZTESA-N 445.003 5.058 0 40 IKAB O=C(CCc1nc(-c2cccc(C(F)(F)F)c2)no1)Nc1ccccc1Br 225803590 YNFMIEPEVVCOCD-UHFFFAOYSA-N 440.219 5.089 0 40 IKAB CCOC(=O)c1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(Br)c1 226339787 IGKKNJBOENRQSE-UHFFFAOYSA-N 438.532 6.165 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)COc3ccc(C4CCCCC4)cc3)nn12 408575199 SNMTZWGTILNEGW-UHFFFAOYSA-N 447.564 5.226 0 40 IKAB CCc1nnc(S/C(=C\c2cc(Cl)c(OCc3ccccc3)c(OC)c2)C(=O)O)o1 408630882 DNFUWQKTCWIQFC-BOPFTXTBSA-N 446.912 5.091 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)c(C)c1 408694338 JEDVZEIASHKZMB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)c1 408696578 AVUSOVFUWCPFGG-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB CCCCN1C(=O)S/C(=C\c2cc(Cl)c(OCc3ccc(F)cc3)c(OC)c2)C1=O 409052383 DIZFHZSVUMDQLM-UNOMPAQXSA-N 449.931 5.903 0 40 IKAB Cc1cccc(-n2c(SCc3ccc(Cl)cc3Cl)nnc2-c2ccccc2)c1 409108362 WPUYCGXESJOKLS-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB O=C(O[C@@H](C(=O)c1ccccc1)c1ccccc1)c1ccc(Cn2nnc3ccccc32)cc1 409177844 ICAMNOYHUNNSAS-HHHXNRCGSA-N 447.494 5.261 0 40 IKAB CC(C)[C@H]1C[C@@](NC(=O)OCC2c3ccccc3-c3ccccc32)(C(=O)O)c2ccccc21 685939976 PCTHXIHTUJIEHE-LXFBAYGMSA-N 441.527 5.649 0 40 IKAB O=C1O[C@]2(CCCN(C(=O)C3(c4ccc(Cl)cc4)CCC3)CC2)CN1c1ccccc1 1848355722 KAZNFJSKPWVEJZ-DEOSSOPVSA-N 438.955 5.170 0 40 IKAB Cc1cc(Cl)ccc1O[C@H]1C(=O)N(c2cccc(Cl)c2)[C@@H]1c1ccc2c(c1)OCO2 720708 JLVOTLFWEAVBET-FGZHOGPDSA-N 442.298 5.566 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccsc1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 1333671 YTJAHNHPRRBGTN-QFIPXVFZSA-N 442.581 5.325 0 40 IKAB aggregator CC(C)(C)[C@H]1CCc2c(sc3ncnc(N4CCN(C(=O)C5CCCCC5)CC4)c23)C1 1377164 ZIVHEJFWDLXNKH-SFHVURJKSA-N 440.657 5.071 0 40 IKAB c1ccc(CSC(Cc2ccccc2)(SCc2ccccc2)c2ccccc2)cc1 1692032 ZZDKDWVTBIIYOS-UHFFFAOYSA-N 426.650 7.949 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c(C)c1 1838058 CNXVNSPJMYTRDW-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2)c(CC(O)(c2ccccc2)c2ccccc2)c1 1872858 CEEOKBBHSMHGJL-UHFFFAOYSA-N 443.568 5.274 0 40 IKAB CCCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(Cl)cc2)C1=O 2107029 MKYPRURZVRYSAR-WIOPSUGQSA-N 449.982 5.087 0 40 IKAB biogenic O=C(COc1ccc2c(-c3ccccc3)cc(=O)oc2c1)Nc1cc(Cl)cc(Cl)c1 2151592 YPJJNZIUMZVVNB-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB biogenic Clc1ccc2nc(SCc3ccc(Br)cc3)nc(-c3ccccc3)c2c1 2336553 ZOXHXXHFOHCFPJ-UHFFFAOYSA-N 441.781 7.005 0 40 IKAB O=S(=O)(Oc1ccc(C2SCCCS2)cc1)c1ccc(Br)cc1 2570996 FYMNIICNPOPIAK-UHFFFAOYSA-N 431.398 5.086 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](OC(=O)/C=C/c2cnc3ccccc3n2)c2ccccc2)c1 2633734 QTGJWRYSSGTROF-BOMYWPOKSA-N 437.499 5.183 0 40 IKAB CC(C)(C)c1ccc(OCCCC(=O)Oc2ccc(C(=O)c3ccc(F)cc3)cc2)cc1 2647202 HOVMSLJZXLAARN-UHFFFAOYSA-N 434.507 6.119 0 40 IKAB O=C1CN(C(=O)c2ccc3ccccc3c2)[C@H](c2ccccc2)c2cc(Cl)ccc2N1 2685926 CNNXPSBQLUHWEU-RUZDIDTESA-N 426.903 5.677 0 40 IKAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3cc(Cl)cc(Cl)c3)s2)cc1 2887672 CYGUGFOMYGHVKJ-UHFFFAOYSA-N 436.364 5.490 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1 3191077 SYSVGPPRGUWOLU-UHFFFAOYSA-N 436.536 6.891 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1cccs1 3208981 XRAYLJYSTRKVNK-UHFFFAOYSA-N 437.524 6.645 0 40 IKAB Cc1cccc(C)c1Nc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(=O)NC1CC1 3224609 OUTQDSGIAJOYRD-UHFFFAOYSA-N 439.968 5.467 0 40 IKAB CCSc1nc2ccc(NC(=O)CSc3nc4ccc(N)cc4s3)cc2s1 3668671 WVPRXNFOFCVJRV-UHFFFAOYSA-N 432.621 5.331 0 40 IKAB Nc1c(C(=O)c2ccc(Cl)cc2)sc2nsc(SCCN3CCCCC3)c12 4481583 FPKLEPKLRVDAKO-UHFFFAOYSA-N 438.043 5.402 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)C(=O)OC(C)(C)C)[C@@]4(C)CC[C@@H]32)C1 4916836 CCIXUKKJUQWDOM-UAJKYJIQSA-N 444.656 6.475 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 5458140 CICIKCBBPXYFIK-NRFANRHFSA-N 425.532 5.253 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(Cl)c(Cl)c4)c3)nc2c1 8384540 AOUHKBBOYPXIDG-CQSZACIVSA-N 439.342 7.567 0 40 IKAB COc1cccc(C(=O)Nc2ccccc2-c2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1 8590781 APAQXYLMLQVBGT-UHFFFAOYSA-N 427.504 5.962 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2c(=O)nc(-c3ccccc3)c3cc(Cl)ccc32)c(C)c1 8609081 MBFUPNIFWJINLB-UHFFFAOYSA-N 431.923 5.281 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CN1c1ccc(Cl)cc1 8755909 SVNXOEAZLNVBHF-SFHVURJKSA-N 431.923 5.289 0 40 IKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@H]2[C@H](C=C(Cl)Cl)C2(C)C)cc1 8836034 UFHHJUYDSWAKDC-OXJNMPFZSA-N 445.415 6.868 0 40 IKAB Clc1cccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccco4)=NN32)c1 8837655 FXSYKZIRKOHJLA-PXNSSMCTSA-N 429.701 5.938 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccccc21)c1ccc2c(c1)CCCC2 8921947 YURLWWZMCGHYJY-HHHXNRCGSA-N 445.946 5.226 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)N1CCCCCC1 9111793 MWJKQCCOKDZWOH-UHFFFAOYSA-N 441.000 5.006 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)cc1 9478241 LLSGPWQVIRWBQM-QHCPKHFHSA-N 436.017 5.135 0 40 IKAB c1ccc(-c2nc3sc4c(SCCN5CCCCC5)ncnc4c3c3c2CCC3)cc1 9510970 IHXIOKZQKTUSCY-UHFFFAOYSA-N 446.645 5.973 0 40 IKAB O=C(COc1ccc(Cl)c2cccnc12)N1N=C(c2ccco2)C[C@H]1c1cccs1 9635399 FWKKDOLATGSASI-KRWDZBQOSA-N 437.908 5.299 0 40 IKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc12 9659935 ADAGXFDQIUJUCY-UHFFFAOYSA-N 439.298 6.923 0 40 IKAB biogenic O=C(CCC1CCCC1)Nc1ccccc1-c1nnc(-c2ccc(Cl)c(Cl)c2)o1 12375703 RBAXOVIKLDTXNZ-UHFFFAOYSA-N 430.335 6.619 0 40 IKAB Cc1cc(NC(=O)c2ccccc2Br)n(-c2nc(-c3ccccc3)cs2)n1 12441712 PWVDRRLUCHGDKD-UHFFFAOYSA-N 439.338 5.319 0 40 IKAB Cc1cccc2c(=O)[nH]c(CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)nc12 12889145 KYJFUIHJMWCCSJ-UHFFFAOYSA-N 425.513 5.846 0 40 IKAB O=C([C@@H]1CC=CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13031154 GAQWBGNBQFAZQF-AEFFLSMTSA-N 447.398 5.441 0 40 IKAB COc1cc(/C=C/C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)ccc1OC(F)F 13098630 NJWNGBWHCBUUGL-YRNVUSSQSA-N 427.451 5.025 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(F)cc2)cc1OC 13108010 KBRBEQBHSOSTKL-OQLLNIDSSA-N 443.478 5.348 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 13132059 DXUXREBYRKFODJ-UHFFFAOYSA-N 443.934 5.644 0 40 IKAB Cc1ccc(-n2c(SCc3cc(-c4ccccc4)on3)nnc2-c2ccccc2)cc1C 13150443 XPLKPRFIBXXLHQ-UHFFFAOYSA-N 438.556 6.498 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)Cc2cccs2)cc1 13498298 PRNOBTWELDKRJP-SANMLTNESA-N 446.616 5.428 0 40 IKAB COc1ccc([C@H]2CC(c3ccc(-c4ccccc4)cc3)=NN2c2ccccc2)cc1OC 13764690 NQZXREUHGYBSJY-HHHXNRCGSA-N 434.539 6.727 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)c1sc2cc(Cl)ccc2c1Cl 13954957 RECFCXVQHXCYJP-UHFFFAOYSA-N 439.323 7.269 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccccc2NC(=O)c2ccc(OC(C)C)cc2)cc1 14039137 ZQPQBKBIEPBIFK-UHFFFAOYSA-N 432.520 5.766 0 40 IKAB COc1ccccc1CN(C)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 14117952 ZFKHQNZBVZLGMA-UHFFFAOYSA-N 429.545 5.056 0 40 IKAB COc1ccc(-c2nnc(SCc3noc(-c4ccc(F)cc4)c3C)n2C(C)C)cc1 14756211 PXYSESPEYIMBEI-UHFFFAOYSA-N 438.528 5.929 0 40 IKAB CC(=O)c1ccc2c(c1)N(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccccc1S2 16321984 LGTCNPFQNNFHFT-UHFFFAOYSA-N 429.328 7.031 0 40 IKAB CCC(=O)Nc1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)ccc1C 16609874 CWJLUCLUNOXMML-XMMPIXPASA-N 435.907 5.778 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)cc3)nc2c1 17097548 KXLWEBQZLVVMIV-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19081850 MPCQDPARAQSAHG-DYESRHJHSA-N 434.411 5.504 0 40 IKAB O=C(c1cccnc1)N1CCCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1 19373044 HETHBXMXNUJAMI-HSZRJFAPSA-N 436.519 5.045 0 40 IKAB Clc1cccc([C@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)c1 19893499 XFNLXYCLRZTDIB-RBBKRZOGSA-N 429.734 6.889 0 40 IKAB CC[C@H](C)[C@@H](N)C(=O)Oc1ccc2c(=O)c(Oc3ccc(Cl)cc3Cl)coc2c1 20411940 FRDOVDLKLQQWCJ-JEOXALJRSA-N 436.291 5.171 0 40 IKAB biogenic CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20459582 ZQVHLCXIVDCSQL-HXUWFJFHSA-N 441.575 5.420 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2ccccc2)cc1 20530385 SLQAQZKTQDALCF-UHFFFAOYSA-N 428.513 5.233 0 40 IKAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N(C)Cc1cccc(Cl)c1Cl 24763135 JEFZBJJADOWVFQ-LLVKDONJSA-N 434.348 5.744 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)CCc2c(C)c3ccc(OC)cc3oc2=O)cc1 27161279 WZVNTLGLYBNYMM-XMMPIXPASA-N 449.547 5.195 0 40 IKAB Cc1cccc(-n2c(CNc3ccccc3)nnc2SCC(=O)Nc2ccccc2F)c1 27753583 CEQVGWFLLNWVRK-UHFFFAOYSA-N 447.539 5.058 0 40 IKAB Cc1ccc2oc(C(=O)Nc3nc(-c4ccc(Br)s4)ns3)c(C)c2c1 32593511 YPDOTWNCFHEUJW-UHFFFAOYSA-N 434.340 5.644 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCc1cc(=O)c2c(C)cc(C)cc2[nH]1 33067690 XVHZVXBIUCTDSD-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB O=C(Nc1ccc(NC(=O)c2ccccc2Br)cc1)c1cccc(Cl)c1 35264144 UXYUBKOKTGVVII-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)Nc3ccc(-c4ccno4)cc3)c12 36616698 ZSLVDQYPDAGWCT-UHFFFAOYSA-N 449.514 5.573 0 40 IKAB CCn1cc(-c2cc(C(F)(F)F)c3c(-c4ccc(Cl)c(Cl)c4)noc3n2)cn1 36617455 LTJIEHVZODRKEI-UHFFFAOYSA-N 427.213 6.099 0 40 IKAB O=NC(=C1C=CN(CCCN2C=CC(=C(N=O)c3ccccc3)C=C2)C=C1)c1ccccc1 38181639 OGMRVWLJHBLPGS-UHFFFAOYSA-N 436.515 6.418 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1Cl 44939866 ICDPFOSJGRQJPJ-UHFFFAOYSA-N 435.351 5.021 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1c1ccc(Cl)cc1 59418202 FQDXKVGQZPGNND-FYJGNVAPSA-N 439.895 6.299 0 40 IKAB O=C(OCc1ccccc1)N1CCC2(CC1)CN(c1ccc(Cl)cc1Cl)C(=O)O2 71789071 WOLNIWNMBCLINT-UHFFFAOYSA-N 435.307 5.121 0 40 IKAB CC(C)c1ccc(C(=O)Nc2sccc2C(=O)N2CC(c3nc4ccccc4[nH]3)C2)cc1 84622489 YJZCDLFRKGAUTL-UHFFFAOYSA-N 444.560 5.240 0 40 IKAB COc1cccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)c1 96146556 WXUQHFBGDGGROJ-UHFFFAOYSA-N 437.503 5.046 0 40 IKAB O=C(COc1cccc(N2C(=O)[C@H]3CC=CC[C@H]3C2=O)c1)c1ccc(-c2ccccc2)cc1 102531836 YLBIQCZQQUYSMX-PLQXJYEYSA-N 437.495 5.071 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1 107666859 HUIBWZPEPYBVNT-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB COc1ncccc1C(=O)Nc1cccc(-c2csc(Nc3ccc(F)cc3F)n2)c1 206872555 ICNRKQWFKQXNSJ-UHFFFAOYSA-N 438.459 5.488 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 222459103 QFPKNTREIRHFDC-NRFANRHFSA-N 433.017 5.073 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 223078244 KTZPKHXISDGABQ-UHFFFAOYSA-N 446.978 6.617 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1nnc(SCc2ccccc2)s1 223425102 QDBIXANLKWPQAR-UHFFFAOYSA-N 436.027 5.995 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 223747161 ZKAOQJBAJLOKKK-UHFFFAOYSA-N 428.576 5.177 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)N(C)Cc3cccc(C)c3)c2)cc1 224105135 BFDOZZUNDZCOPB-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSCc1ccccc1 224156295 UGLBFHBDHCQSJZ-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc(C(C)(C)C)cc1 224180159 IMBKJUHXSNXFMU-UHFFFAOYSA-N 431.576 6.947 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cc(C)cc(C)c1C 224278478 PXEQNUSPOPRIGR-UHFFFAOYSA-N 443.465 6.471 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 224310617 FVYLALOVYRUSIB-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB Cc1ccccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224345985 NVCJYKKRXYYRPO-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(Cl)cc1 224347270 GKXCVFIHEVKDOT-UHFFFAOYSA-N 425.981 7.017 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccnc2)cc1 224357578 JIXIAITVHOHREE-LOSJGSFVSA-N 439.588 5.568 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 224444979 SXMQRRLGXBMREH-PKTZIBPZSA-N 449.938 6.311 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224476074 ATMYNDULLYAODO-DHIUTWEWSA-N 449.938 6.311 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1 224782896 IEVMQPYEXUFWAW-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC(C)(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c1 225040520 BYXWHXMDSFMQIV-DHIUTWEWSA-N 433.625 5.113 0 40 IKAB COc1ccc(S(=O)(=O)N(C)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1F 225111000 QWFOCHDKMWPEKO-UHFFFAOYSA-N 429.557 5.127 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)cc1 225583603 LLAGUNCEGGYMJY-DEOSSOPVSA-N 446.994 5.603 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C(=O)c3cc4c(C)cccc4[nH]3)C2)n1 257228820 FVJSHAMEDZCIBW-GOSISDBHSA-N 445.592 5.626 0 40 IKAB COc1cccc2cc(CN3CC[C@@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)oc12 257291281 QGIWTMZVNLKQCK-QGZVFWFLSA-N 434.561 5.347 0 40 IKAB CC1CCN(C(=S)c2cc(Br)ccc2OCc2ccccc2Cl)CC1 408576676 QIOYOUCGLYHSPQ-UHFFFAOYSA-N 438.818 6.089 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)c1 408605376 GTOQAGNZIIYDJU-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB CC12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3cc(Cl)ccc3Cl)C(=O)[C@@H]12 408622982 QHWDCROUYVTBJH-ZKKFKWFVSA-N 434.322 5.564 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1=O 408641733 MKHGEGYPBRTIEK-OAHLLOKOSA-N 438.877 5.475 0 40 IKAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)c3ccc(Br)cc3C2=O)c1 408672204 MIJHSSZRYWSRNR-UHFFFAOYSA-N 449.304 5.064 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3cccc(Cl)c3C)n2)c(C)c1 408693624 BCWIGFRDSGKBCJ-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccc(F)cc2)nc1-c1ccc(Cl)cc1 408696177 XHHMSUXBNZSEKI-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cc(C)cc(N2C(=O)c3ccccc3N[C@H]2c2ccc(OCc3ccccc3)cc2)c1 408733347 HAQHHRVRSFZNSQ-MUUNZHRXSA-N 434.539 6.654 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C\c1ccccc1OC(=O)c1cccc(Br)c1 408737098 IMMXVJAPIVJIHL-RGEXLXHISA-N 448.272 5.013 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2c(c1)oc1ccccc12 409000777 XYBUADDWWXSPJF-NRFANRHFSA-N 430.504 5.661 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2ccc(OCc3cccc(C(=O)O)c3)c(Cl)c2)C1=O 409022655 NVAKZZSMTRJHFB-VCHYOVAHSA-N 431.897 5.062 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 409100159 VEEFRMPKJGYBIK-PMACEKPBSA-N 434.609 5.048 0 40 IKAB O=C(CCC(=O)O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)Nc1ccc(F)cc1 409176097 HJGHCKGDUMQLRV-DEOSSOPVSA-N 439.870 5.365 0 40 IKAB Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)Nc3ccc(Cl)c(Cl)c3)cc2)cc1 409179023 MNBQFXAYSMUZRT-UHFFFAOYSA-N 434.344 5.528 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccccc3C)cc2Cl)c1 409258661 VDPSPNLWGZZXNE-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(c1cccc(F)c1)n1nc(Nc2ccccc2Cl)cc1Nc1ccccc1Cl 575443081 OJEURWALFCMTJA-UHFFFAOYSA-N 441.293 6.505 0 40 IKAB Cc1cnc(Nc2ccnc(CC3CCC(N(C)C(=O)C4CCCCC4)CC3)n2)s1 585262976 GINIEGPXQHVTQQ-UHFFFAOYSA-N 427.618 5.125 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(C)cc1C 645594 MYLKLMJLAAHORC-UHFFFAOYSA-N 425.550 5.450 0 40 IKAB CCOc1ccc(NC(=O)c2cccc(OC(=S)Nc3ccc(OCC)cc3)c2)cc1 1051966 IYDRSDVRQHWJCJ-UHFFFAOYSA-N 436.533 5.512 0 40 IKAB Cc1cc(C)cc(Oc2c(C(F)(F)F)oc3cc(OC(=O)C(C)(C)C)ccc3c2=O)c1 1769100 PKWFVTCKPFLYFN-UHFFFAOYSA-N 434.410 6.172 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc(OC)cc4)c3)nc2c1 1840411 HTQYEGTYWVPFKK-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(Cl)cc2Cl)sc2c1CCCC2 2180905 WFCVVNJGJQACPV-UHFFFAOYSA-N 429.394 5.919 0 40 IKAB CCOC(=O)c1c(C(C)(C)C)oc2ccc(OC(=O)c3ccc(Br)cc3)cc12 2344904 HRHXCDUJFOSGNY-UHFFFAOYSA-N 445.309 5.889 0 40 IKAB biogenic COc1ccc([C@@H]2OCc3ccccc3N2C(=O)c2sc3ccccc3c2Cl)cc1 2378583 NJPTZDCOJPKLQI-DEOSSOPVSA-N 435.932 6.439 0 40 IKAB Cn1c(NC(=O)c2cccc(Br)c2)c(-c2cccs2)c(=O)c2ccccc21 2434150 MSWZXMATQZRMDX-UHFFFAOYSA-N 439.334 5.282 0 40 IKAB Cc1ccc2c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)O)c[nH]c2c1 2583103 AZYYHRQGDYITPE-VWLOTQADSA-N 440.499 5.011 0 40 IKAB c1csc(-c2cc(-c3nc4c5c6c(sc5ncn4n3)CCCC6)c3ccccc3n2)c1 3265906 MZQPPLPCCQSKKW-UHFFFAOYSA-N 439.569 6.162 0 40 IKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccccc1)c1ccc(O)cc1 3274656 XRBJXIHULPTJMZ-LJQANCHMSA-N 449.812 5.601 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1 3347475 ATDBROUSMRIDKO-UHFFFAOYSA-N 438.911 5.397 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2cc(C)ccc2C(C)C)cc1 3655621 PIPHYJBUQWOGFL-UHFFFAOYSA-N 441.527 6.422 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccccc3)C(=S)NC3CCCCC3)c(=O)[nH]c2c1 6301472 LHBIIGPHRPQFTK-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cc(-c3cccs3)nc3c(C)c(Cl)ccc23)cc1 8383678 ADPIXNRAJXWMMI-MRXNPFEDSA-N 449.959 6.662 0 40 IKAB Cc1ccc(/C=C/c2nn(-c3ccc(Br)cc3)c3c(=O)ccccc23)c(C)c1 8397905 IXDVRAGGFHWZHV-NTEUORMPSA-N 431.333 5.935 0 40 IKAB O=S(=O)(c1ccc(F)cc1)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 8612320 NEQHAUSIUVKQFV-UHFFFAOYSA-N 449.935 5.053 0 40 IKAB O=C(Nc1nc(-c2ccc3ccccc3c2)cs1)c1ccc(CN2CCCC2=O)cc1 8703966 SXCRRDRIGRKSEW-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F)c1ccccc1 8711932 BJGAFGXADZUOAB-IAOVAPTHSA-N 448.876 5.688 0 40 IKAB CC(=O)N(c1cccc(C)c1)c1nc(CSc2nccn2Cc2ccccc2)cs1 8725203 LVLCQOOBJAGCEQ-UHFFFAOYSA-N 434.590 5.673 0 40 IKAB O=C(Nc1c(-c2ccc3ccccc3c2)nc2ccccn12)c1cccc(Br)c1 8740242 DRILKJDXNFTWRF-UHFFFAOYSA-N 442.316 6.169 0 40 IKAB CC(C)c1ccc(Cn2c([C@@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 8756130 WTEYVTFBXMKQHH-OAQYLSRUSA-N 427.523 5.868 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)N(c4ccc(C)cc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 8789518 XITKOALUWQSSEZ-IADCTJSHSA-N 449.554 5.868 0 40 IKAB biogenic CC1CCN(c2ccc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3Cl)cc2Cl)CC1 8832673 QUEMSABDRCILCY-CQSZACIVSA-N 441.786 6.289 0 40 IKAB COc1ccc([C@@H](CNC(=O)c2sc3cc(C)ccc3c2Cl)N2CCCC2)cc1 8916986 MNSJONTYULENEM-LJQANCHMSA-N 428.985 5.439 0 40 IKAB C[C@@H](c1nnc(SCCOc2ccc(Cl)cc2)n1-c1ccc(Cl)cc1)N(C)C 9101187 RSQZQCNZWOSAJF-AWEZNQCLSA-N 437.396 5.368 0 40 IKAB Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 9209498 NTJCMJONYRNSTD-QFIPXVFZSA-N 430.891 5.516 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2)c(C)c1 9250027 UVPOSITYTGRFQS-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cn(-c2ccccc2)nc1-c1ccccc1 9435038 WAYSNQYRWIZFGO-UHFFFAOYSA-N 445.522 6.371 0 40 IKAB COc1cc([C@H](O)P(=O)(OC2CCCCC2)OC2CCCCC2)cc(OC)c1OC 9456289 POPHFHVUEJHMBY-JOCHJYFZSA-N 442.489 5.595 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)c1ccc(Cl)c(S(=O)(=O)N2CCCC2)c1 9667772 KPXDEQMWIJWMSM-UHFFFAOYSA-N 440.952 5.044 0 40 IKAB CCc1cc(Br)c2oc(-c3ccc(NC(=O)c4cccc(F)c4)cc3)nc2c1 10119710 SNIDEPAWZFGNQH-UHFFFAOYSA-N 439.284 6.211 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1cccc(-c2cc3ccccc3oc2=O)c1 10128834 MJMVVAVRYMFAEG-UHFFFAOYSA-N 440.282 5.784 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3cccc4ccccc34)ccc2C)cc1 10314389 WPRIXVADSUGYGC-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cc(-c2ccccc2)nc2ccccc12 11024199 AWWZBIYVZZGBRI-UHFFFAOYSA-N 441.490 6.962 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1Br)c1sc2ccccc2c1Cl 11991133 YWXVJEGAYFWKTG-UHFFFAOYSA-N 443.749 7.203 0 40 IKAB CCCCc1ccc(N2C(=O)c3ccccc3N[C@]23C(=O)N(CC)c2ccccc23)cc1 12410929 VPWRRIXHADBIEQ-MHZLTWQESA-N 425.532 5.321 0 40 IKAB COc1ccc(-c2ccc(C3=NNC(c4cccs4)=Nc4ccc(OC)cc43)cc2)cc1 12497683 DWNRLHWPEIGVCY-UHFFFAOYSA-N 439.540 5.866 0 40 IKAB COc1ccc(Br)c(C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)c1 12974546 VTSGGZSMJDTWRV-ZDUSSCGKSA-N 431.355 5.087 0 40 IKAB Cc1cc(NC(=O)c2ccc(CN(C)CC(=O)Nc3ccc(F)cc3)cc2)ccc1Cl 13056914 GNZCJUUERXAEHM-UHFFFAOYSA-N 439.918 5.110 0 40 IKAB COc1ccccc1[C@H]1[C@H](C(=O)Nc2ccccc2C)CCC(=O)N1c1ccc(C)cc1 13119980 LSLSVKPBFHPNAP-GJZUVCINSA-N 428.532 5.435 0 40 IKAB C[C@@H](Oc1ccccc1Cl)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 13709907 CSYPDFRIKWOINO-HXUWFJFHSA-N 434.967 5.041 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)N3CCCC3)cc2)c1 14181040 IRQPSACELRHMPX-UHFFFAOYSA-N 446.572 5.754 0 40 IKAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 14400128 VPEKRAUNDVKSJE-LJQANCHMSA-N 428.381 5.209 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c12 14898886 MLJABFHWMZTDHV-UHFFFAOYSA-N 434.805 5.461 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3C)c2)cc1 15992288 PFNOKJINZWSHMP-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(=O)Nc1ccc([C@H]2CC(c3ccc(C4CCCCC4)cc3)=NN2c2ccccc2)cc1 16321187 MRINSJAVAPGYGP-GDLZYMKVSA-N 437.587 7.048 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](c2ccccc2)C(O)(c2ccccc2)c2ccccc2)cc1 16953624 GPZZPNBJJQLWBF-AREMUKBSSA-N 428.553 5.446 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccccc4o3)ccc2OC)cc1 17096936 RQHOYTHDYFJBBG-KRWDZBQOSA-N 430.504 6.034 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)ccc1Cl 17099226 NLTPELFJVLSWCB-UHFFFAOYSA-N 434.879 5.664 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(Br)cc1 17101038 JOMTYDYNPJMKEG-SOFGYWHQSA-N 437.120 6.668 0 40 IKAB Cc1c(C(=O)N2CCC(c3cc(C(=O)N4CCCC(C)(C)C4)on3)CC2)oc2ccccc12 19566041 XCDPJQUDOTVYHL-UHFFFAOYSA-N 449.551 5.011 0 40 IKAB Nc1c(Cl)cc([C@@H](O)CN[C@H]2c3ccccc3CSc3ccccc32)cc1Cl 19801901 JQXZAVXODXQBDJ-UGKGYDQZSA-N 431.388 5.594 0 40 IKAB CCCCNC(=O)c1ccccc1NC(=O)c1ccc(CN2CCCc3ccccc32)cc1 20035241 ATFBGPNVXLGLEJ-UHFFFAOYSA-N 441.575 5.422 0 40 IKAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1ccc(-c2cc(Cl)cc(Cl)c2)o1 20140074 SKYIMIQYVPEYIB-UHFFFAOYSA-N 445.085 6.511 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccc3c(c2)c2ccccc2n3CC)cc1OCC 20459857 ZTIAOWDZGSXJGN-UHFFFAOYSA-N 430.548 6.183 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N[C@H](C)c3ccccc3Br)o2)cc1C 21305237 DTTWVPPBEJCHGE-MRXNPFEDSA-N 427.342 5.531 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1NC(=O)Cc1ccccc1Cl 24776151 JETXJPFVOSTVNU-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB Cc1cccc(CSc2nnc(Nc3c(C)cc(C)cc3C)c(=O)n2-n2cccc2)c1 28535087 FWCVMVXUJQBXAA-UHFFFAOYSA-N 431.565 5.021 0 40 IKAB Cc1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccc5ccccc5c4)c3)nc2c1 32109336 BHZAORPEPTZQKH-UHFFFAOYSA-N 442.902 6.627 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32127347 AOQQJXFVJRALFD-SFQUDFHCSA-N 432.523 7.423 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccc(F)cc3)cc1)=NCC2 33669828 XCTPSFOBIGOGGG-UHFFFAOYSA-N 433.483 5.075 0 40 IKAB CCOC(=O)N[C@@H](CC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1ccccc1 35351465 NYJHSSURALDSFU-QWRLVCTISA-N 446.591 5.970 0 40 IKAB 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@@H]2[C@H](C)CCCC(C)C)C1 36464998 PHLIUSDPFOUISN-SPTWOZHASA-N 430.717 8.039 0 40 IKAB biogenic CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@H]4[C@H](C)CCCC(C)C)[C@@H]3CC[C@@H]2C1 36464999 PHLIUSDPFOUISN-ANARKQHNSA-N 430.717 8.039 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 39404544 OBLRYJOBGAYEPF-KXENESABSA-N 443.497 6.793 0 40 IKAB O=C(/C=C/c1ccccc1OC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 39759645 WSPAHNWGFJEADO-FOCLMDBBSA-N 427.485 5.076 0 40 IKAB C[C@@H](c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 40033491 MODKXLFNXCJTTB-RDJZCZTQSA-N 444.457 5.167 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(C)c2)cc1 46078719 MPWDLKOPQYBDCE-UHFFFAOYSA-N 442.515 5.017 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1ccc(F)cc1 57511059 ITKDUHFLGMECJN-UHFFFAOYSA-N 428.492 5.419 0 40 IKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 57987227 FOMCJCKBNXPKDM-ZJSXRUAMSA-N 446.620 5.244 0 40 IKAB CCOc1ccc(-c2nc(C[S@@](=O)Cc3ccc(C(C)(C)C)cc3)cs2)cc1OC 58157981 JIYUHDFTQNTZDO-SSEXGKCCSA-N 443.634 5.964 0 40 IKAB Cc1sc2nc(SCc3ccc(Cl)cc3Cl)n(-c3ccccc3)c(=O)c2c1C 59109305 JYLOADWIHCOWAO-UHFFFAOYSA-N 447.412 6.663 0 40 IKAB CC[C@H](C)Sc1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)c(C(F)(F)F)c1 60306136 MSDCYKQSYNZDCM-ZDUSSCGKSA-N 437.462 6.173 0 40 IKAB COc1ccc(/C(=C\C(=O)N[C@H](c2ccccc2)c2ccc(OC)cc2)c2ccccc2)cc1 67192391 UJWSENPQOBBZKN-KXEXVWEYSA-N 449.550 6.041 0 40 IKAB Fc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 72332613 WHKFWYWQPHNMPH-RBBKRZOGSA-N 431.269 6.514 0 40 IKAB O=C1N=C(Nc2ccc(OC(F)(F)F)cc2)/C(=C/c2cc3ccccc3[nH]c2=O)S1 72401435 JCXVKUKCOAWQPC-YBEGLDIGSA-N 431.395 5.145 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@@](C)(CO)[C@@H]5CC[C@]43C)[C@H]2C1 87493089 NTWLPZMPTFQYQI-FEJYNTSQSA-N 442.728 7.141 0 40 IKAB biogenic CCOc1ccc(/C=C2\SC(=O)N(CNc3cc(F)ccc3C)C2=O)cc1OCC 96592095 RRVDZIPVZYORKU-JAIQZWGSSA-N 430.501 5.037 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102643678 QENWBJAXORFUJO-PASDCYSWSA-N 439.386 6.763 0 40 IKAB COc1ccc([C@@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c(OC)c1 102664082 VORZGSGFJCBSCU-JOCHJYFZSA-N 448.548 5.259 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccccc2Cl)o1 102728980 UQMMHWCVYFSYTN-RXVVDRJESA-N 443.728 6.246 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc(Cl)c1OC 106685128 IUSMVVWKMMNCBV-YVLHZVERSA-N 438.332 5.637 0 40 IKAB Cc1ccc(COc2ccc3ccccc3c2/C=c2\sc3nc4ccccc4n3c2=O)cc1 107070895 YRPIIJWZDZXVRE-QQXSKIMKSA-N 448.547 5.498 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nnc(SCc3ccccc3)s2)c1 222776966 YWYAJTJABWGTOH-MRXNPFEDSA-N 427.595 5.668 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2c(Cl)cccc2Cl)cc1 222880081 GWMFONOZCQMAEC-HXUWFJFHSA-N 426.409 5.763 0 40 IKAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222938884 WRWGYSCEIZRZMA-RTWAWAEBSA-N 446.403 6.277 0 40 IKAB COC(=O)c1ccc(N[C@H](C)c2ccccc2)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 223415145 UYQHJDLQVFVLGA-OAHLLOKOSA-N 444.940 5.101 0 40 IKAB COc1ccc(CN(C(=O)C(C)C)[C@@H](C(=O)NCCC2=CCCCC2)c2ccccc2)cc1 223553865 CTKNCNPNJKEMPJ-AREMUKBSSA-N 448.607 5.428 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1c(F)cccc1Cl 223654246 BUQUBTBRTNXNAY-JOCHJYFZSA-N 432.967 5.054 0 40 IKAB Cc1ccc([C@@H](NC(=O)/C(=C/c2ccco2)NC(=O)c2ccccc2)c2ccccc2)cc1 223742087 BFIFFSXLEGJJSM-RXSCDKOLSA-N 436.511 5.265 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(C)c2)cc1 223753174 OSSPWNLPRXAZHD-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 224018580 XRLHPQNELYEZFY-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c1 224267469 CPVSMIVLFNSFJW-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1)S(=O)(=O)c1ccc(C)cc1 224454151 NOBZKOPUUYSETA-UHFFFAOYSA-N 436.577 5.075 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccccc1C 224575138 KKXOZZXCJIMPQJ-LOSJGSFVSA-N 440.572 5.366 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 224976606 KYEMHKXSASRCEH-CQSZACIVSA-N 441.786 5.133 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1 225052854 LGTKCYLIJLZAFG-ODHYRZOZSA-N 430.548 5.534 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C(C)C)cc1C 225164353 LQROLPJWGXAMFN-RPWUZVMVSA-N 447.608 5.298 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225164707 MLINCDTTXPWBBI-JOCHJYFZSA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 225185979 GYOUZCZQLUIDFZ-DEOSSOPVSA-N 438.612 5.005 0 40 IKAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2SCc2ccc(Cl)cc2)c(C)c1 225248316 DTLZOSQSTZYZIB-UHFFFAOYSA-N 448.009 6.059 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 225307047 WWUQGPDGSDVHRY-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)c(C)c1 225333333 TWTDABJSNFRKQV-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB Cc1ccccc1CN(C(=O)CCCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C 225494308 QSPBASGQHQHTRO-IBGZPJMESA-N 447.044 5.463 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)c1 225603593 KETYSTRRCJRUTI-UHFFFAOYSA-N 432.964 6.277 0 40 IKAB CCC[C@@H](C)NC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 225855084 RXQYTYWUPZNVLM-QGZVFWFLSA-N 444.622 5.343 0 40 IKAB CCn1cc(CN2CCC[C@H](c3ccc(Cc4cccc(C(F)(F)F)c4)cn3)C2)cn1 257222476 DTLOZEYPHZNBIU-NRFANRHFSA-N 428.502 5.287 0 40 IKAB Cc1cc(C(F)F)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n1 257236890 HEFWUBORUAYLEM-GOSISDBHSA-N 448.901 5.115 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@@H]1[C@]3(C)CC[C@]4(C)CCC(C)(C)C[C@H]4[C@]3(C)CC[C@]21C 257350387 XCDQFROEGGNAER-WRQILTSSSA-N 428.745 8.249 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2ccc(F)cc2)c1C 408697956 KIGCACQYIXYHQK-UHFFFAOYSA-N 436.490 6.096 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(OCc4ccccc4Cl)cc3)n3ncnc3n2)cc1 409062242 QMNKUMALRFZGTK-UHFFFAOYSA-N 447.325 6.344 0 40 IKAB COc1cccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c1OCc1ccc(Cl)cc1 409198574 CEAJKZAFTRHPIT-KGENOOAVSA-N 448.906 5.021 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(Cl)cc3)c(Cl)c2)cc1C 409370061 KHYRZRUIFWYCPM-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1-c1cccc(Cl)c1 585265917 WMABYAWOOQQQJV-QFIPXVFZSA-N 434.923 5.397 0 40 IKAB CCN1CCCCCN(C(=O)c2cccc(C)c2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643582687 HPVGOVVDNORACK-RSXGOPAZSA-N 448.607 5.473 0 40 IKAB O=C1C[C@@H]2CCN(C(=O)c3ccccc3)C[C@@H]2CCOc2ccc(-c3ccccc3)cc2N1 1534646397 JKZMULPHSNAHFF-ZEQRLZLVSA-N 440.543 5.243 0 40 IKAB Fc1ccc(CN2CCC[C@H](c3cccc(-c4cnc5ccc(Cl)cn45)n3)C2)cc1F 2037845930 HZYVZXMTXJXVTN-KRWDZBQOSA-N 438.909 5.708 0 40 IKAB COc1ccc(CC(=O)Nc2cccc(-c3csc(-c4ccccc4)n3)c2)cc1OC 629925 AYOLGOYOHGTBFB-UHFFFAOYSA-N 430.529 5.676 0 40 IKAB C[C@]12C(=O)N(c3ccc(Cl)c(Cl)c3)C(=O)[C@@H]1C1c3ccccc3C2c2ccccc21 727021 CVKOIJVKLFRETD-BBLPBDBVSA-N 434.322 5.780 0 40 IKAB Cc1cc(C)c2c(c1)cc(C)c1nnc(SCC(=O)Nc3ccccc3C(F)(F)F)n12 929725 ITHGSGNEXJICNC-UHFFFAOYSA-N 444.482 5.557 0 40 IKAB O=C(Cc1ccccc1)Nc1c(Br)cc(Br)cc1Br 1599901 MQCDVPNHMZSZFV-UHFFFAOYSA-N 447.952 5.155 0 40 IKAB O=C(Oc1cccc2ccccc12)N1CCN(C(=O)Oc2cccc3ccccc23)CC1 1669393 HTURIBWDXCVLSM-UHFFFAOYSA-N 426.472 5.308 0 40 IKAB O=C1C[C@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc2ccccc12 2326623 LOBPOXWJSRKMSE-XMMPIXPASA-N 430.507 5.890 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1Cc1ccco1 2358667 XGZNKSQEMNTQMX-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 2413776 YKPYEZOQJABUCN-FGZHOGPDSA-N 427.548 5.645 0 40 IKAB CC(C)c1ccc(-c2cc(C(=O)Nc3cc(Cl)cc(Cl)c3)c3ccccc3n2)cc1 2754864 KIUXQDGWGFTJCJ-UHFFFAOYSA-N 435.354 7.584 0 40 IKAB CC(C)Oc1ccccc1-c1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2ccccc2n1 2760246 KGXWYEQMBSLNMB-RUZDIDTESA-N 436.555 6.496 0 40 IKAB Fc1ccc(-n2c(SCc3cn4ccsc4n3)nnc2-c2ccccc2)c(F)c1 3236009 ODICECHJPCINDE-UHFFFAOYSA-N 425.489 5.214 0 40 IKAB C[C@H](OC(=O)C1c2ccccc2Oc2ccccc21)C(=O)Nc1ccc(Cl)cc1Cl 3245287 VNAXQZNFUYRHOQ-ZDUSSCGKSA-N 442.298 5.801 0 40 IKAB COc1ccccc1-c1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1 3300390 CBADPDHWGHBNFI-UHFFFAOYSA-N 441.478 6.254 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc([C@H]4COc5ccccc5O4)n3C)cs2)cc1 3503855 UUHQBJNIRNOUGH-LJQANCHMSA-N 436.562 5.052 0 40 IKAB COc1ccc(CNC(=O)/C=C/c2cccc(OCc3ccc(C(F)(F)F)cc3)c2)cc1 4105234 AVRJMTYOUHYKAS-NTEUORMPSA-N 441.449 5.623 0 40 IKAB C[C@@H]1CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@]43C)[C@@H]2[C@@H]1C 4429036 FSLPMRQHCOLESF-WOHWNQJCSA-N 426.729 8.025 0 40 IKAB Cc1cc(-c2ccc(NC(=O)N3[C@@H](C)C3(C)C)c(C)c2)ccc1NC(=O)N1[C@@H](C)C1(C)C 4722682 KQVRLJDZJABHCL-NRBOPRNGSA-N 434.584 6.000 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(-c2cc(Cl)ccc2Cl)o1 8819028 MOAFHGFXRYBIGQ-UHFFFAOYSA-N 431.300 6.278 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2ccccc2Cl)CC1=O 8915707 AWRMZJNVSNPSBT-GOSISDBHSA-N 431.923 5.267 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@@]32CCOC(C)(C)C2)s1 8920915 DDWSVIYYHIDQKF-LAUBAEHRSA-N 447.398 5.648 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3cccs3)n[nH]2)c2ccccc2)c1 8941791 RTWVIRYWPWFMOR-LJQANCHMSA-N 434.546 5.208 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@@H](C)N(C(=O)COc2ccc(F)cc2)c2ccccc21 8984260 MFJULYZNMQVMAW-CJAUYULYSA-N 432.495 5.124 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)COC(=O)c1sc2ccccc2c1Cl 9172778 IAWSOCBJXSYQRU-UHFFFAOYSA-N 439.924 5.153 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(=O)c1cc3c(s1)CCC3)CC2 9254259 WGIMIPNPTKYIFD-JOCHJYFZSA-N 425.575 5.103 0 40 IKAB COc1cccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc(Cl)cc2)c1 9327731 AQFGTSRCMJSKSG-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2Cl)n(C[C@@H]2CCCO2)c1C 9410838 SSKZHIBDYSYRJI-KRWDZBQOSA-N 448.954 5.733 0 40 IKAB Cn1c(NC(=O)Cc2ccccc2)c(-c2cccc(C(F)(F)F)c2)c(=O)c2ccccc21 9449941 OWKAYZARBXYBHQ-UHFFFAOYSA-N 436.433 5.406 0 40 IKAB Cc1cc(/C=C/C(=O)N2CCC(c3nc4ccccc4o3)CC2)c(C)n1Cc1ccco1 9578032 ZJLTXYVXWLRVAQ-MDZDMXLPSA-N 429.520 5.307 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1 9689844 QNVFIUSYKBQWSO-KRWDZBQOSA-N 441.000 5.140 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3nc4cc(Cl)cc(Cl)c4o3)cc2)cc1 9846233 MPZJYMOZCPOGDT-UHFFFAOYSA-N 441.314 6.841 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3cc(F)ccc3C)[C@@H]2c2ccccc2)cc1 9868175 BZZLGSZBCLIJMW-RDGATRHJSA-N 432.495 5.266 0 40 IKAB CC(C)c1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)cc1 9971151 DKMWQCKBXHPCJO-UHFFFAOYSA-N 449.561 5.039 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Cl 10120016 OFAQQUNREPYMTQ-UHFFFAOYSA-N 427.287 5.986 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4cccc(Br)c4)n3)oc12 10747588 WEJFHHYWYKTZRK-UHFFFAOYSA-N 429.295 5.580 0 40 IKAB O=C(/C=C\c1ccc2c(c1)OCO2)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 11758384 JRLPECJKIZDJLN-QBFSEMIESA-N 426.428 5.066 0 40 IKAB CCc1cc(-c2n[nH]c(N)c2-c2nc(C)cs2)c(O)cc1OCc1ccccc1Cl 11867300 FRCXWHSNKYENFU-UHFFFAOYSA-N 440.956 5.591 0 40 IKAB CC(=O)Oc1ccc(-c2cccc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)c2)cc1 12559533 FGDWBSUXAAVICZ-UHFFFAOYSA-N 433.813 6.203 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCC[C@H]2c2nc3ccccc3s2)cc1 12567626 ZFZKHMFKNQOZAY-FQEVSTJZSA-N 435.593 5.077 0 40 IKAB O=c1c(Sc2ccc(Cl)cc2)c(-c2ccc(Cl)cc2)cc2[nH]c3ccccc3n12 12637567 IUDDWWTVKYFUBP-UHFFFAOYSA-N 437.351 6.906 0 40 IKAB CCOc1ccc(/N=c2\cc(-c3ccc(O)cc3)cc(OCC)c3c(C)oc(C)c23)cc1 12658955 QAOAQONRZVZMSP-ZZIIXHQDSA-N 429.516 6.452 0 40 IKAB biogenic COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)C2CCCCC2)c(OC)c1 12879710 VPTFKLHEVNAFMT-UHFFFAOYSA-N 438.597 5.154 0 40 IKAB Cc1ccccc1CN(C)Cn1nc(-c2ccc(Cl)cc2)n(-c2ccccc2)c1=S 13069212 JNOYNXKTNJPRTQ-UHFFFAOYSA-N 434.996 6.122 0 40 IKAB CCCCc1nc2cc(NC(=O)c3cccc(Cl)c3)c(C)nc2n1Cc1ccccc1 13502037 BKGJMHAURFNHTG-UHFFFAOYSA-N 432.955 6.036 0 40 IKAB COCCN(Cc1cc2ccc(C)c(C)c2nc1Cl)C(=S)Nc1cccc(Cl)c1 13568362 RBOGJKJUWWFQFX-UHFFFAOYSA-N 448.419 6.004 0 40 IKAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 13632342 RFBCSEABVNITBU-LJQANCHMSA-N 430.548 5.951 0 40 IKAB CCOc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 13671528 PDLAXSYFXANGON-SANMLTNESA-N 446.572 5.154 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCOc1cccc2ccccc12)C1CCCCC1 13831581 VISZTLJRKYPLPE-UHFFFAOYSA-N 441.575 5.508 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(-c3cccc(C(F)(F)F)c3)o1)CC2 14227739 VDTJEQYXMAMAEU-UHFFFAOYSA-N 431.410 5.181 0 40 IKAB O=C(c1ccccn1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Cl)cc2Cl)cs1 14819624 PDBXFRYSUBQMHG-CQSZACIVSA-N 434.348 5.338 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(NC(=O)Cc3coc4cc(OC)ccc34)cc2)cc1 15313699 RTMFMBCMWAEHIV-UHFFFAOYSA-N 444.487 5.274 0 40 IKAB CSc1ccc([C@@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 15413326 VECNRJQZDUNDER-RUZDIDTESA-N 430.573 5.455 0 40 IKAB O=C(COc1cc(Cl)ccc1Cl)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 15911649 PXFKXXRNWDJKCP-GOSISDBHSA-N 449.721 5.997 0 40 IKAB CCc1ccc(N[C@@H](CC(=O)c2ccc(F)cc2)c2ccc(Br)cc2)cc1 16161799 ZGHZZVCQKIQRDN-QFIPXVFZSA-N 426.329 6.577 0 40 IKAB Cc1ccccc1CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C(C)C)ccc2C)s1 16742502 RBAPISDQYXUIDH-QGZVFWFLSA-N 441.622 5.977 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(C(C)C)cc4)cc3)nc2c1 17102664 NWBBSQQMGVIHLB-GPGPQOAVSA-N 438.571 7.784 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 17102788 RIZIJAHHQDXXCO-UHFFFAOYSA-N 438.890 5.318 0 40 IKAB Cc1cc(C)c2nc(N/C=C3/C(=O)N(c4ccccc4F)C(=O)c4ccccc43)sc2c1 18031184 SFMUZIVAXZAWKY-QGOAFFKASA-N 443.503 5.692 0 40 IKAB Cc1ccc(-c2csc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)c2C(=O)OC(C)C)c(C)c1 19634373 NYYYWNIOXYXLCB-ROUUACIJSA-N 441.549 5.203 0 40 IKAB COc1ccc(Cl)cc1-c1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 19929136 JVEIKMKZXHCWNA-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB CC[C@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccccc1 19931547 HQHZNCBRTHSJTJ-NRFANRHFSA-N 428.941 5.022 0 40 IKAB CCOc1cc(C(=O)Nc2cc(C(=O)O)c(Cl)cc2Cl)cc(OCC)c1OCC 20143393 RYOAZXNQPOESFP-UHFFFAOYSA-N 442.295 5.140 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 21624415 DHPCGPCARNXPCJ-NVQXNPDNSA-N 442.559 5.064 0 40 IKAB COc1ccc(CNCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)cc1 22076787 WBZRDMZCPAMILD-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB COc1cc(CNn2cn[nH]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1Cl 22111831 QSPFZNAMSVWLBY-UHFFFAOYSA-N 445.759 5.232 0 40 IKAB Cc1ccc(N(Cc2ccco2)C(=O)C2CCN(c3ccc(C(F)(F)F)cn3)CC2)cc1 22279650 ZNHDKJZEYDFMIE-UHFFFAOYSA-N 443.469 5.452 0 40 IKAB CCc1ccccc1NC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F 24618815 AXTCGJPOVWISBJ-UHFFFAOYSA-N 427.348 5.725 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C\c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 26580595 WHDCWXDYGBQFQI-SVVIURPLSA-N 436.511 5.822 0 40 IKAB CCCOc1ccc(C(=O)Nc2cc3c(cc2Sc2ccccc2)n(C)c(=O)n3C)cc1 28049137 IMUZGAXISMQKEW-UHFFFAOYSA-N 447.560 5.069 0 40 IKAB CC1=C(c2ccccc2)[C@@H](c2ccccc2)C(/C=C\c2ccccc2)=NC=C1c1ccccc1 31740073 WNVFKEPKFBWOQI-MWWSEKAKSA-N 437.586 8.453 0 40 IKAB Cc1cccc(-n2c(-c3ccccc3)nn(CN3CCC[C@H]3c3cc(C)no3)c2=S)c1 32932616 VDCURGUTZRLNIA-NRFANRHFSA-N 431.565 5.470 0 40 IKAB O=C(NC(=S)Nc1cccc(Cl)c1N1CCCC1)c1cccc2c(Cl)cccc12 33662163 XFBWDRJAZVIDOO-UHFFFAOYSA-N 444.387 5.874 0 40 IKAB COc1ccccc1-c1cc(C(F)F)c2c(=O)[nH]c(=S)n(-c3ccccc3C)c2n1 36617289 OKMPCSRZWMJGGH-UHFFFAOYSA-N 425.460 5.365 0 40 IKAB Cc1ccc(-c2csc(-c3nnn(-c4ccc(Oc5ccccc5)cc4)c3N)n2)cc1 38486906 CAFQTRCSGMMNJQ-UHFFFAOYSA-N 425.517 5.741 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)C1CCN(Cc3cccc(Cl)c3)CC1)CC(C)(C)O2 44855229 QJUYQNNRSCOVMV-JOCHJYFZSA-N 426.988 5.279 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc5nsnc5c4)cc3n2)cc1 57313173 VHYFJNRORZXZQH-UHFFFAOYSA-N 442.548 5.329 0 40 IKAB CCC[C@@H](NC(=O)c1ccc(-c2ccccc2F)o1)C(=O)Nc1cccc(N2CCCC2)c1 58343301 NIRXETWBRUKCHW-JOCHJYFZSA-N 449.526 5.223 0 40 IKAB Cc1nn(C)c(C)c1CCC(=O)N(CCc1ccccc1)c1nc(-c2ccccc2)cs1 58476090 DRCYLCFGIWVWBU-UHFFFAOYSA-N 444.604 5.369 0 40 IKAB Nc1c(Br)cc2nc(-c3cccc(Br)c3)oc2c1Br 70461358 QEGCWMFHXFWIHE-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB Cc1cc(C)n(-c2cccc(CN3CCC[C@@H]3Cc3c(C(N)=O)sc4ccccc34)c2)n1 72370307 OJBNWHNIDVRPTC-HXUWFJFHSA-N 444.604 5.010 0 40 IKAB O=C(Cc1coc(-c2cccs2)n1)Nc1ccc(Nc2ccc(C(F)(F)F)cn2)cc1 84444904 GGEIUPYRMPFUNL-UHFFFAOYSA-N 444.438 5.742 0 40 IKAB O=S(=O)(Oc1c(Cl)cc(Cl)c2cccnc12)c1ccc(C2CCCCC2)cc1 95945982 IYIFOZIVZYAZQO-UHFFFAOYSA-N 436.360 6.357 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1ccc(Cl)cc1Cl 102648490 HGEXYNKJYDCORC-JOCHJYFZSA-N 429.347 6.806 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 222411344 UCYPITJWFSQVLP-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccc(OC(C)C)c(Br)c3)N21 222666650 XOMZTWZWDZQYST-CWFSZBLJSA-N 446.414 5.611 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSCc1ccccc1 223181054 QGOAPKRFMLHCFE-LJQANCHMSA-N 447.044 5.297 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 223445745 NQGAMQWFZFEQMP-QFIPXVFZSA-N 444.616 5.089 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)cc1 224060650 NMEGEMHTVJTANK-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB CN(C)c1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224175066 YMHSGIJYGGMHQJ-DQEYMECFSA-N 439.588 5.115 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccccc1OC 224576596 BXVMNYCPMXWUOM-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOc1ccc(C(=O)Nc2c(C)cccc2C)cc1CSc1ccc(Cl)cc1 224671748 JDBXNBBBDCJINJ-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)o2)cc1 224859027 UKEHTIMVAKSKCE-UHFFFAOYSA-N 442.515 5.891 0 40 IKAB Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1Cl 225029580 PDVZODGVPSPSEB-GOTSBHOMSA-N 437.996 6.219 0 40 IKAB Cc1c([C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)c(C)n(-c2ccccc2)c1C 225031158 FSWOYDROUNNLSX-RPBOFIJWSA-N 430.621 5.713 0 40 IKAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(OCc2ccccc2Cl)c1 225164567 QHXYVDLRVNQMJB-UHFFFAOYSA-N 435.951 5.397 0 40 IKAB C[C@H]1C[C@@H](C)CN(CCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534358 ZNYUPJLFAQHRGR-ZRZAMGCNSA-N 434.624 5.884 0 40 IKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCCC3)cc2)CC1 225547916 XWBBUZRTXDQYNP-UHFFFAOYSA-N 438.587 5.777 0 40 IKAB COc1cc(NC(=O)C2CCN(Cc3ccc(Cl)cc3F)CC2)c(OC)cc1Cl 225584475 PMSIHOAELDLRJE-UHFFFAOYSA-N 441.330 5.000 0 40 IKAB Cc1cccc(CSCCCNC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 225605058 GVDXNVMIHHBRFN-UHFFFAOYSA-N 441.666 5.231 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)N[C@@H](C)CC)cc1 225608905 QMTVNGSERRHVGW-YADARESESA-N 443.031 5.557 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225662364 QXRHUZLBLWBSNP-NBGIEHNGSA-N 440.603 5.604 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1snnc1-c1ccc(Br)cc1 225783826 VYTHZCSMAAOSLA-UHFFFAOYSA-N 429.126 5.527 0 40 IKAB C[C@H]1CC[C@H]2[C@H](C1)O[C@H](c1ccccc1Cl)C[C@]2(C)NC(=O)c1ccc(Cl)cc1 257251615 JRLSQCRYOSJQSV-GMQKADSYSA-N 432.391 6.448 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@H]2CN(C(=O)c3oc4ccccc4c3C)CCO2)n1 257285958 PJOFFVSFUMUGBA-HSZRJFAPSA-N 442.519 5.105 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCO[C@H](c4cncc(-c5ccccc5F)n4)C3)oc2c1C 257308062 TVGQJNJXMRENSO-QHCPKHFHSA-N 445.494 5.168 0 40 IKAB COc1ccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)c2)cc1 257340559 ZGROGCHBZYHMPO-GOSISDBHSA-N 444.510 5.101 0 40 IKAB C[C@@H]1CCCC[C@@H]1NC(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 306139842 UCEFXDULKJLEOH-MJGOQNOKSA-N 445.592 5.378 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1 408573259 ACKBKWWFXVCJEZ-UHFFFAOYSA-N 426.365 5.822 0 40 IKAB CCOc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)cc1 408646065 OGULTJBZCYLRTC-UHFFFAOYSA-N 444.462 5.235 0 40 IKAB O=C1N/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccc(Cl)cc1 408937391 QNXQROZSKRDGHH-WQRHYEAKSA-N 445.327 5.831 0 40 IKAB O=C(COc1ccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)cc1)Nc1ccccc1 409003748 UPZXUGZYJHHDTH-UHFFFAOYSA-N 445.544 5.350 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 409081357 PPGDGPDBMZXDLT-QNGOZBTKSA-N 440.996 5.652 0 40 IKAB CCOc1cc(CNc2cccc(C)c2C)ccc1OCc1ccc(Br)cc1 409114537 GZSLUYLEZOBDPG-UHFFFAOYSA-N 440.381 6.656 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2cc(C)ccc2C)S(=O)(=O)c2ccccc2)c(C)c1 409130071 IEQYDSMXGXAKLM-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1cncc(Nc2ccc3c(c2)CNCCCCCCCN3C(=O)c2ccncc2)c1 643576553 QUQANCPPSYWRQA-UHFFFAOYSA-N 429.568 5.229 0 40 IKAB Cc1c(-c2nnc3sc(-c4ccc(C(F)(F)F)cc4)nn23)cnn1-c1ccccc1 632845 NZIQSPMUYDAEOT-UHFFFAOYSA-N 426.427 5.033 0 40 IKAB Cc1ccc2cc(CN(Cc3cccs3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1 884488 VANBUOGILUQBQC-GOSISDBHSA-N 447.629 5.536 0 40 IKAB Cc1cccc(CCN(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2F)c1 1359280 YLBOFEGLYYQGCB-UHFFFAOYSA-N 428.507 5.169 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3ccc(F)cc3)c(=O)[nH]c2c1 1371317 JJZVARFUQXUDOW-UHFFFAOYSA-N 447.485 5.657 0 40 IKAB Cc1cccc(C)c1NC(=O)C1(NC(=O)COc2ccc(Cl)cc2Cl)CCCCC1 1410274 BMMKKNWKRXSCSH-UHFFFAOYSA-N 449.378 5.447 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccsc1)N(C(C)=O)c1ccccc1-2 2104614 JMETZEHGPNETLT-OAQYLSRUSA-N 440.594 5.717 0 40 IKAB COc1cccc(-c2nc(C(=O)NCCc3cccc(F)c3)cc3c2[nH]c2ccccc23)c1 2126232 YWCUSJBLEZZECY-UHFFFAOYSA-N 439.490 5.503 0 40 IKAB biogenic Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1 2126233 RJLDOYUSBGDLHJ-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB C[C@H](CCOc1c(F)c(F)nc(F)c1F)c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 2200981 VINXLJKMEPXVHT-GFCCVEGCSA-N 427.482 6.511 0 40 IKAB COc1ccc(CCn2c(-c3ccc(C(C)(C)C)cc3)nc3nc4ccccc4nc32)cc1 2247167 KEMMNMBHFPBLHF-UHFFFAOYSA-N 436.559 6.195 0 40 IKAB CCc1nc(SCC(=O)c2ccc(Cl)cc2)c2c3c(sc2n1)COC(C)(C)C3 2347128 FIVCFGBYLFLBSI-UHFFFAOYSA-N 432.998 5.733 0 40 IKAB CCCSc1nc2c(c(=O)n1Cc1ccccc1)C1(CCCCC1)Cc1ccccc1-2 2375459 BFUXOXVQHOIVJX-UHFFFAOYSA-N 430.617 6.219 0 40 IKAB biogenic Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nnc(C)s1)C3=O 2408236 IJSBWDQNYIBULD-HXUWFJFHSA-N 445.544 5.309 0 40 IKAB COc1ccc(CCNc2nc(-c3ccccc3)nc3c2oc2ccccc23)cc1OC 2436152 CEJXKLPQCKCMBA-UHFFFAOYSA-N 425.488 5.715 0 40 IKAB Brc1cccc(-c2nnn3c2nc(NCc2ccccc2)c2ccccc23)c1 2705838 GLZPAOQMDDCTEH-UHFFFAOYSA-N 430.309 5.319 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nc(-c2cc(Cl)ccc2Cl)cs1 3181400 BVNJDFINRIPAMC-UHFFFAOYSA-N 433.147 7.068 0 40 IKAB CCc1ccc(N[C@H](CC(=O)c2ccc(CC)cc2)c2ccc(Br)cc2)cc1 3193952 GLNRUCBNBZTYHF-XMMPIXPASA-N 436.393 7.000 0 40 IKAB O=C(Nc1ccccc1F)C(=Cc1ccc(Cl)cc1Cl)C(=O)Nc1ccccc1F 3257415 GVLMCNYTUXAODE-UHFFFAOYSA-N 447.268 5.932 0 40 IKAB CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(C)c3)c(Br)c12 3268619 OUESJQNKDRHJRF-UHFFFAOYSA-N 445.265 5.021 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccc(OC(F)F)cc1 3334036 PJHVHDYTIXSNQQ-UHFFFAOYSA-N 441.459 5.163 0 40 IKAB CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1C(C)(C)C 3364909 FKAWIYKDVRKMKS-LJQANCHMSA-N 426.910 6.732 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)cc4)cc3n2)c(C)c1 6246406 DVUUWOBFSOOLEC-UHFFFAOYSA-N 427.552 5.444 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCc3ccccc3)CC2=O)cc1 6753162 QFYXLLXJJHKDKX-NRFANRHFSA-N 425.532 5.198 0 40 IKAB COc1ccc(-c2nc(-c3ccc4c(c3)C(=O)c3ccccc3-4)c(-c3ccccc3)[nH]2)cc1 8408182 NXPKNYBRJICSQH-UHFFFAOYSA-N 428.491 6.631 0 40 IKAB CCCCCc1ccc(-c2ccc(-c3ccc(I)cc3)cc2)nc1 8434872 KNDBOLKDNIQWJX-UHFFFAOYSA-N 427.329 6.753 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)Nc1ccccc1Cl)CC[C@H](C)C2 8445627 VOTWFPMDYCKKCG-AWEZNQCLSA-N 438.980 6.339 0 40 IKAB C[C@H](Sc1nnc(Cc2cccs2)n1C1CC1)C(=O)Nc1ccc2ccccc2c1 8772248 NJJDBCGAWXCDKW-HNNXBMFYSA-N 434.590 5.538 0 40 IKAB O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCS[C@@H]1c1ccc2c3c(cccc13)CC2 8834506 KIYVMONVXGAYJG-OAQYLSRUSA-N 449.519 5.394 0 40 IKAB Cc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)CC1=O 8915724 GIPUBNXTJNSRCD-QHCPKHFHSA-N 437.587 6.147 0 40 IKAB C[C@H](Sc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)C(=O)N1CCCC1 9509453 FIFKJISUFRTIOQ-IBGZPJMESA-N 448.636 5.630 0 40 IKAB COc1cccc(Nc2nnc(SCc3csc(-c4cccc(OC)c4)n3)s2)c1 10267729 XYIMVAXVSBKAPH-UHFFFAOYSA-N 442.591 5.715 0 40 IKAB O=C(c1cc(Cl)sc1Cl)N(C[C@H]1CCCO1)c1nc2c(F)cc(F)cc2s1 11139711 HLFNSGCEZBATAD-SECBINFHSA-N 449.331 5.769 0 40 IKAB Cc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4ccc(F)cc4)sc3n2)cc1 12250038 FXFWAMYRYKRIAR-UHFFFAOYSA-N 443.503 6.505 0 40 IKAB O=C(O)c1ccccc1C(=O)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 12285219 WHDCWXDYGBQFQI-HUBMOFRJSA-N 436.511 5.822 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1csc(-c2ccc(C)cc2)n1 12484617 OUHLTQSIGPCGMI-UHFFFAOYSA-N 448.375 5.526 0 40 IKAB C[C@@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 12488021 UTSDCHSVMLISRD-VGYIUAJSSA-N 444.604 5.892 0 40 IKAB C[C@H](NC(=O)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1)c1cccc(C(F)(F)F)c1 12678397 PNCNCRGTYRILHV-WMLDXEAASA-N 438.877 5.088 0 40 IKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@H]1CC1(Cl)Cl 13137919 HWRWUYBUEWRLEC-GFCCVEGCSA-N 434.820 6.158 0 40 IKAB CCCCCOc1ccc([C@@H]2SCC(O)=Nc3c2c(O)nn3C2CCCCC2)cc1 13548857 ABPAPTXDPXZUCP-NRFANRHFSA-N 429.586 6.087 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccccc1F 13566318 NFJQERGBHWCDDQ-UHFFFAOYSA-N 429.875 5.085 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)ccc3o2)cc1 13843196 NFIUMOADNYRJIG-UHFFFAOYSA-N 446.375 6.566 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(-c2nnc3n2CCCCC3)c1 14014845 GMGWKCOYTXNNMG-UHFFFAOYSA-N 435.578 5.417 0 40 IKAB CCOc1ccc2nc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)sc2c1 14269823 ZVFRADCWQFGJQB-UHFFFAOYSA-N 441.965 5.628 0 40 IKAB Cc1cc(C)nc(NC2=N[C@H]3CCCC[C@H]3N2C(=O)Nc2cc(Cl)cc(Cl)c2)n1 15988940 WTDXSHNXEDCIFK-DLBZAZTESA-N 433.343 5.027 0 40 IKAB Cc1cc(Br)c(NC(=S)NC(=O)c2cccc(OCC(C)C)c2)cc1C 16267963 ATFSLDCMIZIAGR-UHFFFAOYSA-N 435.387 5.228 0 40 IKAB O=C1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3cccc4ccccc34)cc2)C2(CCCCC2)O1 16957135 ZQWFOXSVWCJMRQ-QFIPXVFZSA-N 442.515 5.297 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(Br)cc1Cl 17099630 YEDAZHGXJGVWAN-GORDUTHDSA-N 435.532 6.070 0 40 IKAB CC(C)(C)CC(=O)N[C@@H](C[C@H]1CCCCN1Cc1cccc2ncccc12)c1ccccn1 19082769 ZBVJBBPYESHMOH-GJZUVCINSA-N 444.623 5.668 0 40 IKAB C[C@@H](C(=O)N1CC[C@@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](C(C)(C)C)N3)C1)c1ccccc1 19458994 ONAOSPSDEHIPSY-QOJCHSLYSA-N 448.533 5.336 0 40 IKAB CC(C)Nc1n[nH]c2nc([C@@H]3CCCN(C(=O)C4CCCCC4)C3)cc(C(F)(F)F)c12 19742330 QUYPKKFWZMSKBM-OAHLLOKOSA-N 437.510 5.083 0 40 IKAB CC(C)C[C@@H](NC(=O)CCCN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 20040423 HQQQPNLFLAEJIE-OAQYLSRUSA-N 436.577 5.032 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)cc(Cl)c3)o2)ccc1-c1ccc(CO)o1 20140127 GABIYERNCMOIQK-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1)c1cc([N+](=O)[O-])ccc1Cl 22078910 FAOOTBDVFBKMOG-UHFFFAOYSA-N 436.773 6.312 0 40 IKAB C[C@H](CN[C@H](Cc1ccccc1)c1ccccc1)N[C@@H](Cc1ccccc1)c1ccccc1 22580843 TZTINWHNVDZMRN-NSQROVRMSA-N 434.627 6.522 0 40 IKAB O=S1(=O)CC[C@H]([n+]2c(-c3ccccc3)cc(-c3ccccc3)cc2-c2ccccc2)C1 23989349 OBFSIBQTTJEMEJ-VWLOTQADSA-N 426.561 5.335 0 40 IKAB CN(C)c1ccc([C@@H](CNC(=O)[C@]2(C)CC2(Cl)Cl)c2c[nH]c3ccccc23)cc1 24483421 HWXFOWKAPSJQIW-GCJKJVERSA-N 430.379 5.066 0 40 IKAB CCN(C(=O)Nc1cc(NC(=O)N(CC)C2CCCCC2)c(C)nc1C)C1CCCCC1 25389145 AKLHSDAOASLFOA-UHFFFAOYSA-N 443.636 6.071 0 40 IKAB CCOc1ccc(Cl)cc1S(=O)(=O)Oc1c(Cl)cc(Cl)c2cccnc12 26843841 BVSTWNYMBKSINM-UHFFFAOYSA-N 432.712 5.361 0 40 IKAB O=C(NCCc1csc(-c2ccc(Cl)cc2)n1)C(c1ccccc1)c1ccccc1 28287990 OJSUAJNBVYMYCS-UHFFFAOYSA-N 432.976 5.954 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccc1C(=O)Nc1cccc(F)c1 31087399 LJRUQIAUXZACGG-UHFFFAOYSA-N 437.521 5.444 0 40 IKAB COc1ccc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)cc1 32125473 SBOVLVPCRYQYLU-UHFFFAOYSA-N 444.534 7.072 0 40 IKAB Cc1ccc(C(=O)N[C@@H](C(=O)Nc2ccc(SCc3cccnc3)cc2)C(C)C)cc1 32857491 RTFWZIAAXDQXCO-HSZRJFAPSA-N 433.577 5.075 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc(I)c1 33537061 XOCSNHJEFTWSBL-UHFFFAOYSA-N 426.468 5.504 0 40 IKAB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4cccc(Cl)c4)o3)S2)c(OC)c1 35042896 JUWUUNUYMCKFNK-NDENLUEZSA-N 440.908 5.700 0 40 IKAB CCOc1ccc(NC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 35177878 LMIZFRVUQMOIDU-UHFFFAOYSA-N 425.444 5.801 0 40 IKAB CC(=O)OCC[C@@H]1SC(=O)N=C1N1N=C(c2ccccc2)C[C@@H]1c1ccc(Cl)cc1 36633830 RCDGZWSJOUUUQB-UXHICEINSA-N 441.940 5.078 0 40 IKAB CCc1ccc(NC(=O)Nc2ccccc2SCc2cc(=O)n3oc(C)cc3n2)cc1 41089686 DGYZYLXLSYNOOE-UHFFFAOYSA-N 434.521 5.095 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C)cc1 57523141 BTOWRAPBXRMFMI-UHFFFAOYSA-N 446.576 5.002 0 40 IKAB COc1cc([C@H](C)NC(=O)c2cc(Br)cnc2Cl)ccc1OCC(C)C 60341567 FVROXPRGDDCKME-LBPRGKRZSA-N 441.753 5.032 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccc(CC)cc2)cc1 71328010 ATADBQNMEJMYFK-UHFFFAOYSA-N 437.609 5.737 0 40 IKAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)CC3CC(C)(C)NC(C)(C)C3)n2)n1 72375696 HNMZQMJLOLQYBN-LJQANCHMSA-N 441.645 5.201 0 40 IKAB CCCC(Pc1ccccc1-c1ccccc1)Pc1ccccc1-c1ccccc1 98074331 JUCQEVQAXBKBAA-UHFFFAOYSA-N 426.480 7.455 0 40 IKAB CCOC(=O)N1[C@@H]2CC=CC[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 103951448 YLIPKJUKPFIPCK-KFADFNFCSA-N 437.539 5.763 0 40 IKAB CC(C)CCC[C@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 118925031 YYFZLFRYFOLELG-QGCYDVEPSA-N 431.661 7.605 0 40 IKAB CCOC(=O)c1cccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1C 216253653 VWSNRLOITZSTOO-UHFFFAOYSA-N 435.545 5.595 0 40 IKAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960055 GUVBUXVSXSGSSK-UHFFFAOYSA-N 442.559 5.165 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 222618026 UMQBBDLNTLCCAZ-AJTFRIOCSA-N 444.619 5.537 0 40 IKAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 222805600 GZHLAIILHRTLAG-VQTJNVASSA-N 442.382 5.405 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1nc2ccccc2s1 222909030 DYUQFSBZFIGBDJ-SFTDATJTSA-N 433.606 5.111 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Cl)cc1CSc1ccc(C)cc1 224337192 UWMXBUXKDGEPOK-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224517627 DHICINDKMWLSOG-OAQYLSRUSA-N 433.017 5.012 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3cccc(CN4CCCCC4)c3)cc2)cc1 224647609 LFHMIQCHVIKNDA-UHFFFAOYSA-N 444.644 6.203 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(Cl)cc1 225096458 GBXVIZOCZDFMSG-RTBURBONSA-N 447.044 5.463 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 225357851 LNKVATVCFIAZOX-DQEYMECFSA-N 446.620 5.963 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)CCc1ccc(C)cc1 225369645 XERKWLUNFKONSC-AREMUKBSSA-N 434.624 5.226 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1cccc2ccccc12 225572429 FVJBUYSJVDRTDQ-IBGZPJMESA-N 436.983 5.368 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 225665976 BKQYHLQMSSXVCR-XXBNENTESA-N 442.575 5.050 0 40 IKAB C[C@H]1CCCCN1c1cc(Cl)nc(NC(=S)NCc2ccc(-c3ccccc3)o2)n1 225919844 INDJJDBVLCUDMO-HNNXBMFYSA-N 441.988 5.255 0 40 IKAB COc1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)Cc3ccccc3C2)c2ccccc12 225945460 MERMDRLWENBSEI-UHFFFAOYSA-N 437.495 5.252 0 40 IKAB O=C(C(c1ccccc1)c1ccccc1)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257292601 QMGJGJDJAZHSRE-QFIPXVFZSA-N 436.555 5.084 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(NC(=O)N3CCCCCC3)cc2)cc1 408582944 GJAKILUROBSMQE-UHFFFAOYSA-N 429.586 5.238 0 40 IKAB CCc1ccccc1NC(=O)c1cccc(N2C(=O)c3cc(Cl)c(Cl)cc3C2=O)c1 408673778 VFVPNOYHNIJOIP-UHFFFAOYSA-N 439.298 5.609 0 40 IKAB CCOc1ccc(NC(=O)C(=O)c2c(-c3ccc(OCC)cc3)cc3ccccn23)cc1 408680357 YMARGIHTVNGNEO-UHFFFAOYSA-N 428.488 5.225 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc(Br)c2)nc1-c1ccccc1 408697003 DNFANGWQFLUPQZ-UHFFFAOYSA-N 433.309 5.258 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2)cc1 408724213 IBDWPRREYYMDRI-UHFFFAOYSA-N 432.321 5.863 0 40 IKAB Cc1cnc(NC(=O)CSc2nnc([C@H](C)Oc3ccc(Cl)cc3Cl)o2)s1 409006513 KEBQZORYLYCNPO-VIFPVBQESA-N 445.353 5.012 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1C 409097752 NZWHJCGTZAKGQS-UHFFFAOYSA-N 435.596 6.920 0 40 IKAB Clc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3)cc2Cl)cc1 409176571 RKMYYJZTJYGAKF-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Br)c(O[C@H](C)CC)c(OC)c2)C1=O 409230923 GZCUBTWYRQFDSU-HGLKBHAMSA-N 428.348 5.081 0 40 IKAB CSc1ccccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409322106 KMKPORWYVOOYGB-XMMPIXPASA-N 434.586 5.435 0 40 IKAB O=C(CCc1ccc(C(F)(F)F)cc1)NC[C@@H](O)c1ccc(-c2ccsc2)s1 828019311 BEEUUCVOORCZFG-MRXNPFEDSA-N 425.497 5.278 0 40 IKAB CC(=O)Nc1ccc2nc(SCc3ccc(C(=O)Nc4ccccc4)cc3)sc2c1 624810 FJIBNQLMTCVZCQ-UHFFFAOYSA-N 433.558 5.799 0 40 IKAB CC(C)(C)c1ccc(NC(=O)CCSc2nnc3scc(-c4ccccc4)n23)cc1 630201 UXNPDVDDMCEXRS-UHFFFAOYSA-N 436.606 5.876 0 40 IKAB CCOC(=O)c1sc2c(c1NC(=O)c1cc(Cl)cc(Cl)c1OC)CCCC2 713321 OARCUMPQSXEXGI-UHFFFAOYSA-N 428.337 5.371 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)o2)cc1 854387 GECUJXKYKYTSDR-GOSISDBHSA-N 425.282 5.042 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(OC)cc3)C3CCCC3)cc2c1 924177 XFPFYCQBNLVOGG-UHFFFAOYSA-N 435.593 5.241 0 40 IKAB Cc1cc(C)c(N(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c(C)c1 1380009 XIWWRHYQPGVSPK-XMMPIXPASA-N 431.536 5.047 0 40 IKAB Cc1ccc(SC2=C(Nc3cccc(Cl)c3)C(=O)N(Cc3ccccc3)C2=O)cc1 1810721 YTRWKGRZMJRQIK-UHFFFAOYSA-N 434.948 5.633 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 2257985 SPDSPJFXXCHCNO-SFTDATJTSA-N 430.558 5.621 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccccn3)n2-c2ccc(Cl)cc2)cc1C 2356712 UZRDMIXNYOUYDC-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB O=c1c2ccccc2nc(SCc2ccc(Cl)cc2)n1OCc1ccc(Cl)cc1 2372274 NFGFLZSEWKGWJU-UHFFFAOYSA-N 443.355 5.624 0 40 IKAB O=C(CSc1nc2c(oc3ccccc32)c(=O)n1-c1ccccc1)Nc1ccc(F)cc1 2713431 PVWZTVBYBCYACZ-UHFFFAOYSA-N 445.475 5.002 0 40 IKAB O=C1/C(=C/Nc2cccc(C(F)(F)F)c2)c2ccccc2C(=O)N1c1ccccc1Cl 3273939 AUVWZKDASYNYKG-QGOAFFKASA-N 442.824 5.999 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)c1ccccc1OCc1ccccc1Cl 3291805 IKKHEUMKBGNQRS-UHFFFAOYSA-N 427.931 6.762 0 40 IKAB O=C(CCCOC(=O)c1cc(-c2ccc(Cl)cc2)nc2ccccc12)c1cccs1 3339992 XDHCJOORTRAMFE-UHFFFAOYSA-N 435.932 6.437 0 40 IKAB CSc1ccc(Cl)c(C(=O)OCCCC(=O)c2ccc(Br)cc2)c1 3363416 LXPLSBRLMCJBNB-UHFFFAOYSA-N 427.747 5.644 0 40 IKAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3363851 PFMAOUPKNYQAJZ-QFIPXVFZSA-N 442.481 5.922 0 40 IKAB O[C@@H](C[C@H]1CCC[C@H](C[C@H](O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 5082652 ZHOOOEZKEUBMPQ-GKQHHHCTSA-N 429.604 5.700 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4C)cc3n2)c(C)c1 6205298 HRVYCWKAXHOEJW-UHFFFAOYSA-N 427.552 5.444 0 40 IKAB aggregator COc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@@H]2C1=O 8386535 MXIRVGLZZCTMMC-BKJLSBSTSA-N 433.507 5.119 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@H](C)c1ccccc1)CC[C@H](C)C2 8445625 YDAXBNUJGDQMFF-FUHWJXTLSA-N 432.589 5.925 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2ncc(-c3ccc(Br)cc3)[nH]2)cc1 8709969 DAKVAMIPCBWUOM-CYBMUJFWSA-N 444.354 5.161 0 40 IKAB O=C1N[C@H](c2ccc(Cl)cc2Cl)Nc2sc3c(c21)CCN(Cc1ccccc1)C3 8721978 GMOYKFKZDHZAQV-FQEVSTJZSA-N 444.387 5.467 0 40 IKAB O=C(Nc1ccccc1SCc1ccccc1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8723574 KEZLZZVUJJOSMV-NRFANRHFSA-N 445.588 5.862 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1SCC(=O)N1CCC[C@H]1c1nc2ccccc2s1 8940079 ZNJRLJLLPYQYKJ-FQEVSTJZSA-N 448.617 5.555 0 40 IKAB CCOc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccccc12 9030238 SVLNXEKECYELAE-UHFFFAOYSA-N 431.557 5.630 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)COc3ccc(-c4nnco4)cc3)cc2)c1 9120106 AWSYPUNTEYGDQK-UHFFFAOYSA-N 431.517 5.522 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4ccccc4C)no3)nnc2-c2ccncc2)cc1 9184983 FZIBAUUEYSQMBH-UHFFFAOYSA-N 440.532 5.288 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4o3)c2)cc1 9246709 FZVXLGWYGIDIBX-UHFFFAOYSA-N 445.544 5.801 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccccc3F)sc3ccccc3c2=O)cc1OC 9448684 GECQHRQUUYQQBU-UHFFFAOYSA-N 435.476 5.337 0 40 IKAB Cc1ccc(-c2c3c(nc4sc5c(c24)CCC5)-c2ccccc2O[C@H]3c2ccccc2)cc1 9540631 QGXLFURWDKTBJG-LJAQVGFWSA-N 445.587 7.909 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@H](C)Oc2cccc(C)c2C)cc1 9591743 QXISYYBIXRHEQI-IBGZPJMESA-N 427.500 5.995 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)C(=O)N1CCCCCC1 9606597 LFEHKVVFHSWARV-MRXNPFEDSA-N 444.988 5.123 0 40 IKAB CSc1nnc(CCCNc2nc(C(F)(F)F)nc3ccccc23)n1C1CCCC1 9666355 YTPZVVPUOIUQPQ-UHFFFAOYSA-N 436.507 5.122 0 40 IKAB Fc1ccc(-c2nc(CSc3nnc(-c4ccccc4Br)[nH]3)cs2)cc1 9737439 GXSBGIJOQAJICT-UHFFFAOYSA-N 447.358 5.789 0 40 IKAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)CCCCc1nc2ccccc2s1 9764576 YPTWLZSULVLBCR-UHFFFAOYSA-N 431.561 5.259 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)s2)cs1)c1ccc(NC(=O)c2ccco2)cc1 9914455 ZJVIRLSJNVPLMR-UHFFFAOYSA-N 429.910 5.623 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4ccc(Br)o4)cc3)oc2cc1C 10120373 UWOZSDNOSCXJRB-UHFFFAOYSA-N 425.282 5.397 0 40 IKAB CSc1ccccc1NC(=O)c1cccc(NS(=O)(=O)c2ccc(C)cc2)c1C 10327864 LISRLKJNWBAOFY-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CCOc1cccc2c1O[C@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@@H]21 12195700 OPMFUKIIEZRFFM-JYFHCDHNSA-N 430.504 5.345 0 40 IKAB Cc1ccc(NC(=O)c2c(N)c(C(=O)c3ccc(Br)cc3)n3ccccc23)cc1 12342006 FMBCAKCLLKGEOU-UHFFFAOYSA-N 448.320 5.076 0 40 IKAB COc1cccc(OCCCn2c(Cc3ccc(OC)c(OC)c3)nc3ccccc32)c1 12371601 WRZDQFFHLUEYRJ-UHFFFAOYSA-N 432.520 5.122 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 12542229 SRDRAWBNHDQKEJ-WSYHJUONSA-N 441.571 6.129 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccccc4F)c(N)c3c(C(F)(F)F)c2C1 12858124 PHWGXFWBBUOPSR-JTQLQIEISA-N 437.462 5.804 0 40 IKAB O=C1O/C(=C\N2CCc3c([nH]c4ccccc34)[C@@H]2[C@H]2OC(=O)c3ccccc32)c2ccccc21 12961269 GCABLUGXOGQONP-IJUWRAAOSA-N 448.478 5.148 0 40 IKAB COc1ccccc1[C@H]1[C@@H](C(=O)Nc2ccc(C)cc2)CCC(=O)N1c1ccc(C)cc1 13057398 FKFQBDKFTAQOCO-OZXSUGGESA-N 428.532 5.435 0 40 IKAB COC(=O)[C@H](C)Sc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1 13115638 JMYIPRQNNLKCEK-AWEZNQCLSA-N 429.973 5.539 0 40 IKAB O=P(/C=C(\Cl)c1ccccc1)(/C=C(\Cl)c1ccccc1)Nc1ccccc1F 13304464 NJYZHENGFYCVLU-IKBKFCNISA-N 432.262 7.991 0 40 IKAB COc1cccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 13778936 NGWJHFYUNHTFHH-JTHBVZDNSA-N 425.315 6.244 0 40 IKAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cc4cc(C)ccc4nc3Cl)C2)cc1 13786075 RYHSIGZJXBTJAV-QFIPXVFZSA-N 449.938 5.438 0 40 IKAB COc1ccc(CNC(=O)c2ccc3nc(-c4ccoc4)c(-c4ccoc4)nc3c2)cc1 13992068 SLZJFBNSQGKAEZ-UHFFFAOYSA-N 425.444 5.088 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4cccc(Br)c4)o3)cs2)cc1 14094265 ADCFFHSSTASVKI-UHFFFAOYSA-N 444.379 6.223 0 40 IKAB Cc1ccc(C(=O)O)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 14269453 DOFILNSFHVPXNQ-UHFFFAOYSA-N 449.315 5.387 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cc(NC(=O)CCC)ccc2Cl)c1 14831544 VISUTAIEFOAWJH-UHFFFAOYSA-N 447.988 5.384 0 40 IKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1)C(=O)OC 16757770 GOPSBTPMLPIPHA-LJQANCHMSA-N 437.952 5.785 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)cc1 17100131 VLIMJUNPMJNISV-MRXNPFEDSA-N 436.474 5.073 0 40 IKAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1-c1ccc(CO)o1 20144715 HYPRUQLUBZUJAD-LBPRGKRZSA-N 436.291 5.160 0 40 IKAB COC(=O)c1ccc2nc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)sc2c1 20412329 PFXDVKPUEIYLGC-UHFFFAOYSA-N 437.329 5.857 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(CCc2cccc(F)c2)CO4)cc1 20610294 CERGKJHDOFXFLZ-UHFFFAOYSA-N 445.490 5.311 0 40 IKAB biogenic COc1ccc(Cl)cc1NC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 22503193 HBXGDPFMNASQFB-UHFFFAOYSA-N 435.911 5.586 0 40 IKAB O=S(=O)(/C=C/c1ccccc1)N(Cc1coc(-c2cccc(F)c2)n1)Cc1ccco1 26777379 IQGOTYIZNXRDDK-ACCUITESSA-N 438.480 5.077 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(OC)c(OC)c2)sc(C)c1-c1cccc(Cl)c1 27698720 KIGKMCJOUOSPKP-UHFFFAOYSA-N 445.924 5.433 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)Nc3ccccc3C(C)C)c2)cc1 30873810 ZUACNGFZMXUWDW-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(-c3ccc(Cl)cc3)o2)C1=O)N1CCCCCC1 33668313 DASPZPFLOQVLKL-UYRXBGFRSA-N 444.940 5.039 0 40 IKAB Cc1ccc2c(c1)c1ncn(Cc3ccccc3Cl)c(=O)c1n2Cc1cccc(Cl)c1 35400850 AIFHNJPCMMJCLV-UHFFFAOYSA-N 448.353 6.063 0 40 IKAB CCCCn1nc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3-c2ccccc2)cc1C 36616102 MFXTVSLAWFLKJT-UHFFFAOYSA-N 428.540 5.164 0 40 IKAB Nc1c(-c2nc(-c3ccccc3)cs2)nnn1-c1ccc(OCc2ccccc2)cc1 38486694 ABAMVAVZRDTJLD-UHFFFAOYSA-N 425.517 5.219 0 40 IKAB CCc1ccc(-c2nc(CN[C@@H](C(=O)Nc3ccccc3)c3ccccc3)cs2)cc1 40149541 JOZFOVVGUMIXLB-XMMPIXPASA-N 427.573 5.842 0 40 IKAB Clc1cc2[nH]cc(-c3c[nH]cc3-c3c[nH]c4cc(Cl)c(Cl)cc34)c2cc1Cl 40422726 BMSRAYDJPZCVMP-UHFFFAOYSA-N 435.141 7.925 0 40 IKAB biogenic CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1)c1ccc(C)c(C)c1 44856518 IOCGAGAIPYBIBX-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 44906385 IQSRELWJTARSQJ-UHFFFAOYSA-N 439.814 5.608 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@@](=O)(N3CCCCCC3)C2=C(N2CCCC2)C1 49676331 IBCLQYAWVKLANK-PMERELPUSA-N 426.545 6.059 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(C)c(C)c3)nc3ccsc3c2=O)c1 57487479 CJIYPJKZGKYEOS-UHFFFAOYSA-N 435.574 5.103 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)c1ccccn1 72370664 XDQLWXCEVMYIQL-GOSISDBHSA-N 435.593 5.062 0 40 IKAB C[C@H]1CCc2noc(C3CCN(C(=O)c4ccc(COc5ccc(F)cc5)o4)CC3)c2C1 72392452 YUBMPQQFCHGYEF-INIZCTEOSA-N 438.499 5.130 0 40 IKAB C[C@]12Cc3cnc4c5ccccc5nn4c3C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O 96116069 FTUGZSWAYIUGKC-WQUKGHBTSA-N 429.608 5.591 0 40 IKAB biogenic O=C(O)c1c2c(nc3ccccc13)/C(=C\c1ccc(OC(F)F)cc1OC(F)F)CC2 96399884 HNSNBKGDGXWTHN-XFXZXTDPSA-N 433.357 5.623 0 40 IKAB COc1ccccc1[C@H]1C[C@@H]2CC[C@@H]([C@@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 100461795 ABUKBCAATVFRLI-CFJXPYFLSA-N 427.544 5.441 0 40 IKAB COc1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1OC 101166644 HQYDOCULSQZABA-HSZRJFAPSA-N 441.531 5.475 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N[C@H](C)[C@@H]3C[C@@H]4CC[C@@H]3C4)c3cc(C)ccc3n2)cc1 101538501 SQINHRUMHNTJQA-ZNTQHIFFSA-N 428.576 6.163 0 40 IKAB Cc1cc(C)cc(N2C(=O)N(C(=O)c3ccc(F)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 102431404 GABAKIRPLSKPPT-BKMJKUGQSA-N 430.479 5.765 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2Cl)nnc1[C@H](C)NC(=O)c1ccccc1C 108949930 RRHFVFPQNDOKKL-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@@H]2C(=O)O 169683206 NGZQPIDJKGPPTM-ZCLUNYJNSA-N 438.593 5.739 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccc3ccccc3c2Br)c1 218903439 ZUFHFLHJBQFUJF-UHFFFAOYSA-N 448.700 5.060 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2ccc(OC)cc21 222938812 YCAKVPMTEKXWSG-FCHUYYIVSA-N 425.569 5.569 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223072782 MDCDMFNNWRBNMQ-PMACEKPBSA-N 443.031 5.728 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 223689988 JLPCVIIPOHWKSY-VWLOTQADSA-N 446.591 5.251 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C 223870663 NVPWWUJEEYMBHY-JWQCQUIFSA-N 440.572 5.372 0 40 IKAB O=C(NC1CCCCCC1)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl 224019911 LDEDLOGUUFGGEB-UHFFFAOYSA-N 441.380 5.247 0 40 IKAB S=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Sc2ccc(Cl)cc2)nc1 224051771 AAUWANDYLJKBBV-UHFFFAOYSA-N 443.981 5.144 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)cc1COc1ccccc1Cl 224134940 YKDDZNGGSVEXTC-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 224270788 WWMQYXNUSXXBNT-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224337232 WOAYFYZVQVDHMS-QHCPKHFHSA-N 443.031 5.514 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccccc3)c2)cc1 224367940 QUJXYBGLLYVUHP-UHFFFAOYSA-N 447.531 5.874 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1COC(C)C 224430734 NRMXKPZRXDWPLT-UHFFFAOYSA-N 425.912 6.318 0 40 IKAB CCOc1ccc(C(=O)N2CCc3ccccc3C2)cc1COc1cccc2ccccc12 224635262 YCFKWZSJYQWEMH-UHFFFAOYSA-N 437.539 6.016 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COc1ccc2ccccc2c1 224642477 KIIAHAVDQFEQTC-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CSc1ccc(Cl)cc1 224673179 GFJBCKXULLAQFD-INIZCTEOSA-N 448.991 5.047 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(C)cc1 225172543 JIRJDUJXGAVQDQ-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225557060 XZXOZEZISFMDAR-NFBKMPQASA-N 426.626 5.118 0 40 IKAB CC(C)CNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 225730030 JGQLJJHWNZQZMN-HHHXNRCGSA-N 442.603 5.032 0 40 IKAB COc1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1Cl 225832253 VOCRLNBUGGHRMS-UHFFFAOYSA-N 433.895 5.637 0 40 IKAB CC(C)CN(Cc1cccc(C(F)(F)F)c1)[C@H]1C[C@@H](c2ccccc2)O[C@H]2CCCC[C@@H]21 257222710 DUKJRTPYQATLHG-RSYZFUPGSA-N 445.569 7.252 0 40 IKAB CCCCOc1ccc(C(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(C[C@@H](O)CC)n1 257314300 UWHTXCRBJHHFAM-IBGZPJMESA-N 426.488 5.004 0 40 IKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccccc1Oc1ccccc1 408585717 HNXRVQBAMATBNT-UHFFFAOYSA-N 426.310 6.283 0 40 IKAB COc1cc(C(=O)Nc2ccc(Oc3cccc(C)c3)cc2)cc(Br)c1OC 408620261 LKLAAZZVMSRMRA-UHFFFAOYSA-N 442.309 5.819 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 408698626 OVTCABVVFPIGAB-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)cc1C 408725444 PAYWUEZDNNMSQW-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CC(C)(C)c1cc(/C=C2\S[C](Nc3ccccc3F)NC2=O)cc(C(C)(C)C)c1O 408807874 IEIHFQNPHHJZIR-UHFFFAOYSA-N 427.565 5.889 0 40 IKAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cn(Cc2ccc(F)cc2)c2ccccc12 408810605 UHAXBCSKKOZZNZ-UHFFFAOYSA-N 446.502 5.731 0 40 IKAB Cc1ccc(SCC(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3C)cc2)cc1 408908774 YRWSFKYCOOIMKH-UHFFFAOYSA-N 440.590 5.143 0 40 IKAB CCC(=O)Nc1cc(OC)c(C(=O)OCC(=O)c2ccc(Cl)c(Cl)c2)cc1Cl 409177695 CCJJHZBNOORDJW-UHFFFAOYSA-N 444.698 5.044 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409183277 AHCOCBYSVSZTIS-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB O=C1N/C(=C/c2c(OCc3ccccc3)ccc3ccccc23)C(=O)N1Cc1ccccc1 409193558 GOMDMMKYOPOVOM-KOEQRZSOSA-N 434.495 5.512 0 40 IKAB COc1cc(-c2nc3ccccc3s2)cc(Br)c1OC(=O)c1cccs1 409254017 WFAVTQPREPGQNA-UHFFFAOYSA-N 446.347 6.015 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1cc2cc(Cl)ccc2o1 409340126 QUSRTPOQUXZAAK-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB Cc1ccc(CSc2nc3nccc(-c4cc5c(cc4C)NC(C)(C)C[C@H]5C)n3n2)cc1 618257324 VTEBPYXRWSJXPZ-GOSISDBHSA-N 443.620 6.398 0 40 IKAB CC(C)CNC(=O)C[C@H]1CC2(CCN(Cc3ccc(F)c(F)c3)CC2)Oc2ccccc21 1204223295 FEKRBLRLXAQSND-FQEVSTJZSA-N 442.550 5.028 0 40 IKAB CC[C@H]1CCc2c(sc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3Cl)c2C(N)=O)C1 670359 OXQFKNQWCZSLFH-QWRGUYRKSA-N 441.380 5.075 0 40 IKAB CCOc1ccccc1C(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 790422 YGBWZKUTINSBDF-UHFFFAOYSA-N 426.516 5.078 0 40 IKAB O=C(CSCC(=O)Nc1ccccc1Oc1ccccc1)Nc1ccc2ccccc2c1 828951 IOMVFLIFLZRFFU-UHFFFAOYSA-N 442.540 5.943 0 40 IKAB Cc1cc2cc(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)c(=O)[nH]c2cc1C 879053 LDLBLNRCEZZIEI-UHFFFAOYSA-N 445.563 5.683 0 40 IKAB COc1ccccc1NC(=O)N(Cc1cccs1)Cc1cc2cccc(C)c2[nH]c1=O 1378200 QMLIGSMRBMYDDT-UHFFFAOYSA-N 433.533 5.141 0 40 IKAB COc1ccc(NC(=O)c2c(C(F)(F)F)nn(C)c2Sc2ccc(Cl)cc2)cc1 1385356 SYWLDITWBGQCPE-UHFFFAOYSA-N 441.862 5.504 0 40 IKAB Cc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)C[C@@H](C(C)C)OC3 1803613 QKVXERDXEIKVLM-IBGZPJMESA-N 442.650 5.991 0 40 IKAB CCCCCC(=O)NC(=S)Nc1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 2052156 JCAWZTJMCQNXMC-UHFFFAOYSA-N 436.364 6.195 0 40 IKAB O=C(Cn1nc(-c2ccc(Cl)cc2)c2ccccc2c1=O)Nc1cccc2ccccc12 2365767 FIRXMDKCWGTNLG-UHFFFAOYSA-N 439.902 5.509 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1cccc(Br)c1 2366826 JRYJICJXGAENMF-UHFFFAOYSA-N 434.384 5.063 0 40 IKAB CCOc1cc2c(cc1OCC)[C@@H](c1ccc(Cl)cc1)N(c1ccc(F)cc1)C(=O)C2 2417454 OGNBNOOXHYJIFG-RUZDIDTESA-N 439.914 5.955 0 40 IKAB Cc1cccc(Cl)c1OCCn1c(-c2ccc(Cl)cc2)nc2ccccc2c1=O 2435186 YKFUANBWLICQGH-UHFFFAOYSA-N 425.315 5.758 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)c4ccc5c(c4)OCCO5)c3)nc2c1 2446949 MGUNLEOMSOZWTQ-UHFFFAOYSA-N 448.906 6.295 0 40 IKAB CCN(C(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccccc1 2655458 MKDPNPBGQUNOER-UHFFFAOYSA-N 439.964 5.842 0 40 IKAB Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(Cc2ccc(Cl)cc2)o1 2804430 LMJSORCADKIWLI-SECBINFHSA-N 431.668 5.128 0 40 IKAB COc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(C)c4C)cc3N2)cc1 3011672 UZGOJTOBRWJVAI-UYAOXDASSA-N 444.457 5.421 0 40 IKAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)c(-c3nc4ccccc4s3)c2)cc1 3241716 XXDVDVHBBGNKRR-UHFFFAOYSA-N 438.574 5.496 0 40 IKAB O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)Nc1cccc(Cl)c1 3244139 CPFNKYKAVOIOLG-UHFFFAOYSA-N 449.816 5.293 0 40 IKAB O=C(OCC(=O)N1CCc2ccccc21)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3300272 GSKHJUKZONUQBG-UHFFFAOYSA-N 448.931 5.363 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(-c3nnc(-c4ccccc4)c(-c4ccccc4)n3)cc12 3419248 QPXLHKCBTHVASQ-UHFFFAOYSA-N 445.551 6.581 0 40 IKAB C[C@@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccc(Cl)cc4)c4ccccc43)c2C1 5494155 DNFAENMWYCRFCS-CQSZACIVSA-N 425.937 6.165 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1 8440048 FNUPYSOLIIXTJQ-UHFFFAOYSA-N 448.013 5.799 0 40 IKAB CCCCN(CCCC)C[C@@H](O)c1cc(-c2ccc(OC)cc2)nc2cc(Cl)ccc12 8602884 FHGZYZNBVGWNAW-AREMUKBSSA-N 441.015 6.499 0 40 IKAB CCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 8816361 LIMYEGUYRLWQAI-OALUTQOASA-N 449.528 5.351 0 40 IKAB CCc1ccc(NC(=O)CSc2ccc(-c3sc(-c4cccnc4)nc3C)nn2)cc1 8875943 NFZFAMWNGOKZPN-UHFFFAOYSA-N 447.589 5.264 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 8894569 MKPDWTIMXONYFU-XMMPIXPASA-N 442.588 5.669 0 40 IKAB O=C(Cn1c(-c2cscn2)nc2ccccc21)Nc1ccccc1Oc1ccccc1 9126846 CZKUPPNXRAOGJQ-UHFFFAOYSA-N 426.501 5.591 0 40 IKAB COc1ccc(/N=c2\cc(-c3ccc(OC)cc3)oc3ccc(Br)cc23)cc1 9130096 MXKBJDMNDMVLSW-NJNXFGOHSA-N 436.305 6.112 0 40 IKAB Clc1ccccc1-c1n[nH]c(SCc2ccc(I)cc2)n1 9197968 QPJGCCPVXBZCAL-UHFFFAOYSA-N 427.698 5.022 0 40 IKAB COc1ccc(NC(=O)c2nc(SCc3ccccc3C)ncc2Cl)c(OC)c1 9206890 OJRMEIIZNHBLQD-UHFFFAOYSA-N 429.929 5.000 0 40 IKAB CCOc1cc(-c2ccc(O)c(OC)c2)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 9266201 DIPKXZGWKAMBPC-BYNJWEBRSA-N 443.543 6.679 0 40 IKAB COc1ccc(C(=O)Nc2nnc(SCc3ccc(C(F)(F)F)cc3)s2)cc1 9366625 UMHROGCMWXQJOT-UHFFFAOYSA-N 425.457 5.110 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cccc(-c2nc3ncccc3o2)c1C 9668076 QILADDOGGCNZBH-UHFFFAOYSA-N 428.275 5.766 0 40 IKAB COc1ccc(Cl)c2sc(N(Cc3cccnc3)C(=O)c3cccc(F)c3)nc12 9708975 XQDKZAJEAMXJFI-UHFFFAOYSA-N 427.888 5.339 0 40 IKAB CSc1ccccc1NC(=O)c1nnn(-c2ccc3noc(-c4ccccc4)c3c2)c1C 11689935 NYRTXEMTBBOGIU-UHFFFAOYSA-N 441.516 5.358 0 40 IKAB COc1ccc(C(=O)Oc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)cc1 11866198 CBEYOIRIIFFLHP-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic COC(=O)[C@H](Oc1cc(C)cc2oc(=O)c(Cc3ccccc3)c(C)c12)c1ccccc1 11866615 JXVSRWFHCGBLJV-RUZDIDTESA-N 428.484 5.294 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)n1 12528098 PQURNELFEGWZMD-MRXNPFEDSA-N 435.553 5.440 0 40 IKAB CCCCCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccncc3)n2C2CC2)cc1 13100663 JQEVRMRCOQXIMD-GOSISDBHSA-N 434.609 6.161 0 40 IKAB FC(F)(F)c1cccc(Oc2nnc(-c3cccc(C(F)(F)F)c3)c3ccccc23)c1 13115369 YESVNKFFPDIZFZ-UHFFFAOYSA-N 434.339 7.127 0 40 IKAB CC(=O)Nc1ccc(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)cc1 13146457 WUOMJPJABZSELU-UHFFFAOYSA-N 427.529 5.539 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1F)N(C(=O)c1ccccn1)c1cccc(F)c1 13502138 WAUVHKFKVWUMOW-DEOSSOPVSA-N 449.501 5.197 0 40 IKAB O=C(Nc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1Cl)c1cccs1 13843370 DEGIPYOMHKYIKS-UHFFFAOYSA-N 446.959 6.424 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc(Cl)cc3C)c2)cc1 15565316 TYBVNEVAEJNZHT-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(C(=O)Oc2ccc([C@@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)cc2)cc1 15947838 GCNAASKWBQDLSQ-IVZQSRNASA-N 432.545 5.829 0 40 IKAB Clc1ccc(OCCn2cc(-c3cnn(CCOc4ccc(Cl)cc4)c3)cn2)cc1 16046759 LTAUFYZQERTEHE-UHFFFAOYSA-N 443.334 5.211 0 40 IKAB CCc1ccc(C(=O)C[C@H](c2cccc(Br)c2)N2CCc3ccccc3C2)cc1 16161480 DAFLAEGZNHSLOL-RUZDIDTESA-N 448.404 6.384 0 40 IKAB COc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1NC(=O)Nc1ccc(Cl)cc1 16227022 HTBUXERQMXJESL-UHFFFAOYSA-N 445.306 6.290 0 40 IKAB COc1ccc(-c2cc(O)nc(SCc3nc(-c4ccc(Cl)cc4)oc3C)n2)cc1 16840800 JEONKGSFJZPVQC-UHFFFAOYSA-N 439.924 5.767 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cc(Cl)ccc1Cl 17098641 OFRLTYMJPPHCGW-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB CCc1c(C)sc(NC(=O)c2sc3cccc(F)c3c2Cl)c1C(=O)NC1CC1 17100936 GWVRTFYZKZYFMX-UHFFFAOYSA-N 436.961 5.771 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1Cl 17101825 NFQZKSFOXDZGFZ-UHFFFAOYSA-N 437.977 6.052 0 40 IKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3c(F)cccc3Cl)cc2)n1 17288050 SISJSGDNHTYZRE-UHFFFAOYSA-N 427.911 5.420 0 40 IKAB COc1ccc2[nH]c(S[C@@H](C(=O)Nc3cccc(C(C)=O)c3)c3ccccc3)nc2c1 18210235 XGDCHCXXOCVUGL-JOCHJYFZSA-N 431.517 5.246 0 40 IKAB CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC2)cc1 19450608 JGLPXZVMZOABEA-NRFANRHFSA-N 429.630 5.046 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2 19581656 SNFHUXMLVXTTSW-DQEYMECFSA-N 442.559 5.014 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccccc5)cc4)cc3)nc2c1 19644886 NNGNBDGRIKYLEO-FQEVSTJZSA-N 446.550 7.928 0 40 IKAB Cc1ccc(Cn2c(=N)n(CC(=O)c3ccc(-c4ccccc4)cc3)c3ccccc32)cc1 19855203 AJVAERVQTSDOQT-UHFFFAOYSA-N 431.539 5.829 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)Nc2cc(-c3ccc(CO)o3)ccc2Cl)cc1 20152896 XJAQURUXRKKPPW-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB CCc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@@H]2c2ccc(OC)cc2)cc1 20970045 ZTIBLFOUFUONBE-RUZDIDTESA-N 438.531 5.535 0 40 IKAB O=C(CSc1nc(COc2ccc(Cl)cc2)n[nH]1)Nc1ccc(Cl)c(Cl)c1 21112344 HTLRYJGSFSJSSH-UHFFFAOYSA-N 443.743 5.075 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)CCc2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 23313342 FCNDSRSAXFXNGX-FQEVSTJZSA-N 440.927 5.309 0 40 IKAB CC[C@@H](c1nnc(SCc2csc(-c3ccccc3)n2)n1Cc1ccccc1)N(C)C 23983193 SBPRRODYBPAACX-NRFANRHFSA-N 449.649 5.755 0 40 IKAB CC(C)(C)OC(=O)Nc1ccc(CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)cc1 24778901 ALQRNMDQDOGMPW-UHFFFAOYSA-N 441.528 5.401 0 40 IKAB C[C@H](Cc1ccccc1)NC(=O)CSc1nc(-c2ccccc2)c2cc(Cl)ccc2n1 30831798 SYAXRXDEJAXYRW-QGZVFWFLSA-N 447.991 5.790 0 40 IKAB CCSCn1nnc(-c2ccc(Br)cc2)c1C(=O)Nc1cccc(C)c1C 32611885 QNGIARJIFVDPQG-UHFFFAOYSA-N 445.386 5.287 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)Oc1ccc2cc(Br)ccc2c1 32754531 AAMNJBMYBUQFMM-GOSISDBHSA-N 428.307 5.011 0 40 IKAB c1ccc(-c2nc(NCc3nnc4ccccn34)c3c(-c4ccccc4)csc3n2)cc1 32869565 MDBJIJODGRZCGC-UHFFFAOYSA-N 434.528 5.680 0 40 IKAB c1ccc(-c2csc3nc(-c4cccnc4)nc(Oc4ccc5ccncc5c4)c23)cc1 33010871 NNAINDUBJBASDU-UHFFFAOYSA-N 432.508 6.761 0 40 IKAB CCOC(=O)c1sc2ccsc2c1CN(C)CC(=O)Nc1c(C)cc(C)cc1C 40139333 QACHWMMLYDPZFD-UHFFFAOYSA-N 430.595 5.135 0 40 IKAB COc1ccc2c(c1)CCN(C(=O)c1ccc(OCc3nc(-c4ccco4)cs3)cc1)C2 49032327 ZHVZCQLJOXWKRP-UHFFFAOYSA-N 446.528 5.189 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3)sc2c1 59477570 VQLVNDUUXACSQS-DTQAZKPQSA-N 436.536 7.184 0 40 IKAB COc1ccc(CCC(=O)N2CCC(c3cccc(Cc4cccc(F)c4)n3)CC2)cc1 72349362 BSWCYGKOBUQNOK-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB CCn1ccnc1CN1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 72350306 ZIVXLVGPKKMXNP-IBGZPJMESA-N 428.502 5.287 0 40 IKAB Cc1ccc(CC(=O)N2CCC[C@H]2c2ccc3c(NCc4ccccc4)n[nH]c3n2)cc1C 72374558 KYUWUDDOQWUDSR-DEOSSOPVSA-N 439.563 5.093 0 40 IKAB CC(C)(C)OC(=O)N1CCC([C@H]2CN(C(=O)OCc3ccccc3)c3ccccc32)CC1 91302569 TVGSNCABPGIPSN-JOCHJYFZSA-N 436.552 5.574 0 40 IKAB in-vitro Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)c3ccc(OC(C)C)cc3)CC2)c1 96183794 FLVZVMCAQPODIX-NDEPHWFRSA-N 442.603 5.638 0 40 IKAB CC(C)(c1ccccc1)c1ccc(Oc2ccc(N3C(=O)[C@@H]4[C@@H](C3=O)[C@H]3C=C[C@H]4C3)cc2)cc1 100394275 PRSPEYOGYGQESV-GQHLQYEBSA-N 449.550 6.116 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1C 100846773 JTNIFZSWZPIHRK-ZRBLBEILSA-N 432.907 5.008 0 40 IKAB CCCCn1cnc2c(c1=N)[C@@H](c1ccc(OC)c(OC)c1)c1ccc3ccccc3c1O2 101111932 DOWXFBCQAPJDAG-QHCPKHFHSA-N 441.531 5.619 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c1 223395158 PLDRMFGGQIXAJB-ZEQRLZLVSA-N 428.536 5.184 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 223511973 GXZUFTAAOTXXJH-GOTSBHOMSA-N 446.963 5.563 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(F)cccc1Cl 223746326 TWGSLCZOCBPHCV-JOCHJYFZSA-N 432.967 5.054 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)cc1 223770156 BVQPCCSHSZEDGS-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1 224155737 ITRDTWDTMCXGQG-VWLOTQADSA-N 448.994 5.049 0 40 IKAB CN(Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1)S(=O)(=O)c1ccccc1 224406617 SYPILBRNAOZEKJ-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 224523491 IYOQUWMCIOCIMJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccc(Cl)c(C)c1 224548336 YKHLRTHFZCTZNU-UHFFFAOYSA-N 441.980 6.600 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 224594499 QYMPYUWONGUNGZ-DEOSSOPVSA-N 440.653 5.116 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225029023 YQLYQDCJHYDOGD-XZOQPEGZSA-N 447.560 5.263 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(Cl)c1 225134405 PHYYMOAVNOFARI-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1cccc(Cl)c1 225640844 OHYZBXOCPMGJQR-IERDGZPVSA-N 435.395 5.258 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC 225684654 CZOUCPAOLRMMIL-UHFFFAOYSA-N 429.944 5.756 0 40 IKAB CCCCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(C)cc3)ccc2s1 225855022 SWEJGPVXQTWUEC-UHFFFAOYSA-N 444.622 5.345 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1CCc1ccc(Cl)cc1 229834352 FMOSHKWMZZHYAP-FATVKVNYSA-N 441.958 5.621 0 40 IKAB O=C(N[C@@H](CC1=CS[C@H]2C=CC=C[C@@H]12)C(=O)O)OCC1c2ccccc2-c2ccccc21 230403017 PMDBULUWCYRQDX-DPSWKAHMSA-N 445.540 5.110 0 40 IKAB C[C@]12CC[C@H](O)CC1=CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)/C(=C\c3ccc(OC(F)F)cc3)C[C@H]12 253499214 KUZBETODCMAEND-LEJXQPCLSA-N 444.562 5.966 0 40 IKAB COc1ccc(Cl)cc1C(=O)c1sc2nc(C(F)(F)F)c3c(c2c1N)CCCC3 257173430 MWCDDHBPJOUODT-UHFFFAOYSA-N 440.874 5.669 0 40 IKAB COc1ccc(CCNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)cc1 408571209 AEHOTHQQOPWDDL-UHFFFAOYSA-N 441.980 5.444 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@H]2c2ccccc2)c1 408680588 ICDQPMFHKZJVKO-NDEPHWFRSA-N 432.523 6.608 0 40 IKAB COc1ccc(/C=C/C(=O)NCCSCc2ccc(Cl)cc2Cl)cc1OC 408926431 TWPFHOHMACMKIS-XBXARRHUSA-N 426.365 5.073 0 40 IKAB Cc1ccc(COc2ccc([C@@H]3Nc4c(C(=O)O)cccc4[C@@H]4[C@H]5CC[C@@H](C5)[C@@H]34)cc2)cc1 409000882 NOFTVFLFTJTMDG-GWHRYDNLSA-N 439.555 6.569 0 40 IKAB Cc1ccc(COc2ccccc2/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1 409007378 PSJOXPWOLYJVFZ-ULJHMMPZSA-N 429.541 5.853 0 40 IKAB Cc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4ccccc4C)cc3)C(=O)O2)cc1Cl 409197404 DRUUTSWBDFQYDG-XKZIYDEJSA-N 431.875 5.521 0 40 IKAB CCOc1cc(/C=C2/N=C(c3ccccc3C)OC2=O)ccc1OC(=O)c1ccc(F)cc1 409201153 VXURIGLHLHJDIS-KGENOOAVSA-N 445.446 5.097 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1CCc1ccccc1 409211492 JMSXNXFGKQDCFN-RGEXLXHISA-N 441.961 6.363 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OC)c2)C1=O 409235455 QDEPRBFANYQLQX-HZHRSRAPSA-N 433.529 5.874 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2)cc1Cl 409251513 PHNFEZUIWKAKAZ-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409256170 ODPQBZPQAPWKBU-ZAVYGHGMSA-N 430.498 6.514 0 40 IKAB CC(C)C[C@H](NC(=O)C[C@H](c1ccc(Cl)cc1)n1cccc1)c1nnc2ccccn12 524734278 PFYNIMIZKNOSHR-LEWJYISDSA-N 435.959 5.067 0 40 IKAB O=C1NCCOc2ccccc2CCCCCC12CCN(CCCc1ccccc1)CC2 643588908 LWRGXHNZVKFLSO-UHFFFAOYSA-N 434.624 5.013 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1cccs1)N2 673992 AAQBEMQPWKWIDS-SWLSCSKDSA-N 426.851 5.511 0 40 IKAB CCOc1ccc([C@H]2c3[nH]c4ccccc4c3CCN2C(=O)c2ccccc2Cl)cc1 686955 UYXMAEWJDPJGRF-VWLOTQADSA-N 430.935 6.008 0 40 IKAB biogenic Cc1cccc(C(=O)Nc2ccc3nc(SCC(=O)NCc4ccccc4)sc3c2)c1 713121 JHDWMPXXLPPVCX-UHFFFAOYSA-N 447.585 5.266 0 40 IKAB CCc1ccc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccccc2)C[C@@H]3C(F)(F)F)cc1 865628 YCRMEZZFHQVJSC-DLBZAZTESA-N 448.876 6.012 0 40 IKAB O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@H]2C(F)(F)F 866943 FPNJXFNVJLHURZ-AAEUAGOBSA-N 446.763 5.320 0 40 IKAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2ncnc3sc4c(c23)CC[C@H](C)C4)cc1 881254 GHHQNJYMALKJES-JSGCOSHPSA-N 425.579 5.138 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2cccc(C)c2)cc1 888259 DSNGAQTZOUPOGZ-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB Cc1ccc2cc(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2c1C 931849 NMUWJPMHFIASRP-LJQANCHMSA-N 445.588 5.376 0 40 IKAB Cc1cccc(CCN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccc(F)cc2)c1 1378237 NMBMZKBVFMFAOY-UHFFFAOYSA-N 443.522 5.561 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2scc(-c3ccccc3)c2C(=O)OC(C)C)cc1 2088389 BPWPJGNIYGTWBN-UHFFFAOYSA-N 437.561 6.267 0 40 IKAB COc1ccc2c(CSc3nnc(-c4ccccc4)n3-c3ccccc3)cc(=O)oc2c1 2653057 BDSNVZPTZGLVET-UHFFFAOYSA-N 441.512 5.342 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)Nc1ccc(Cl)c(Cl)c1 3227018 ZOKOGVDOBPMMLR-UHFFFAOYSA-N 441.361 6.604 0 40 IKAB O=C1c2ccccc2-c2nn(C(=O)CSc3cc(Cl)ccc3Cl)c3cccc1c23 3231993 GEGKNOSBWSUXNF-UHFFFAOYSA-N 439.323 5.987 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3251084 AKHPHAICVSRCFW-GFCCVEGCSA-N 447.375 6.033 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(-c3ccccc3)n2C)c2ccccc2)c1 3301611 NSCJKVKBCIMVLO-JOCHJYFZSA-N 428.561 5.571 0 40 IKAB CC(=O)c1sc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)nc1-c1ccccc1 3324263 FVNMNMQBCLBVRB-UHFFFAOYSA-N 439.496 6.073 0 40 IKAB CN(Cc1cccs1)C(=O)COC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1 3354245 PAZHCCCCXXYWOU-UHFFFAOYSA-N 433.451 5.249 0 40 IKAB Cc1cccc(OCCSc2nc3sc4c(c3c(=O)n2Cc2ccccc2)CCC4)c1 3437198 SXRLCAZGCHLEBD-UHFFFAOYSA-N 448.613 5.475 0 40 IKAB CCOC(=O)c1sc(-c2ccccc2)cc1NC(=O)CN1CC=C(c2ccccc2)CC1 3449413 JHTJVLRHODQCRG-UHFFFAOYSA-N 446.572 5.320 0 40 IKAB FC(F)(F)c1ccc([C@@H]2ON=C(c3ccccc3)N2C23CC4CC(CC(C4)C2)C3)cc1 5940257 LGQMKKMMRJOBOG-YMHSLHOESA-N 426.482 6.367 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)c2ccccc2C)cc1 6406969 WJJJVOFGIUWIFM-UHFFFAOYSA-N 441.556 5.586 0 40 IKAB CCCCCC1CCC(C2CCC(COc3ccc(OC(F)(F)Cl)cc3)CC2)CC1 6471837 NPHJMZBJAHMXNE-UHFFFAOYSA-N 443.018 8.426 0 40 IKAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928852 OUYPUGHXPWTLJL-IFMALSPDSA-N 427.544 5.528 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)cc1 8871517 CWSSYZKPILTIQK-JOCHJYFZSA-N 439.559 5.621 0 40 IKAB C[C@H]1CCN(C(=O)COc2ccccc2C(=O)Nc2ccccc2)c2ccccc2S1 9172519 YUSPRFUQBRIYJF-SFHVURJKSA-N 432.545 5.235 0 40 IKAB Cc1nc2[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)nc2cc1Br 9308476 GILGMTPPHWIEMD-UHFFFAOYSA-N 446.157 5.066 0 40 IKAB COc1ccc(NC(=O)Nc2nnc(SCc3cccc(C(F)(F)F)c3)s2)cc1 9324061 JDXATOKTFWHCSS-UHFFFAOYSA-N 440.472 5.502 0 40 IKAB Fc1ccc(-c2cc(-c3nnc(S)n3-c3cc(C(F)(F)F)ccc3Cl)[nH]n2)cc1 9374845 SAZDYQQBOURMGG-UHFFFAOYSA-N 439.825 5.424 0 40 IKAB COCCn1c(S[C@@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2ccccc21 9467821 QNTMCOJFNBYQGQ-XMMPIXPASA-N 445.588 5.772 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 9546532 KRRCXFVDSBDXPF-VWLOTQADSA-N 439.515 5.467 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 9597875 UVWBHUVVEYVHHU-UHFFFAOYSA-N 441.318 5.762 0 40 IKAB CN(C)C(=O)[C@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 9602708 SPQYTTHHKGIHHG-OAQYLSRUSA-N 440.638 5.357 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(C)n2-c2ccccc2)c2ccccc2)c1 9664049 CWBZHEZPVUKSLW-HSZRJFAPSA-N 428.561 5.665 0 40 IKAB NC(=O)N[C@@H](CC(=O)N1CCC[C@@H]1c1cccs1)c1cccc(Oc2ccccc2)c1 9671777 YYLOTQSOXOVQMQ-LEWJYISDSA-N 435.549 5.004 0 40 IKAB C=Cc1ccc(COc2cc3oc(=O)cc(-c4ccccc4)c3cc2CCCCCC)cc1 10013979 OHJTYKPXMVOUFI-UHFFFAOYSA-N 438.567 7.805 0 40 IKAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 10434537 GDECOISQDRHFSI-QHCPKHFHSA-N 440.503 5.229 0 40 IKAB CCOc1ccccc1NC(=O)CSc1ccc(-c2ccc(Br)cc2)nn1 12140481 ZGWIDGKLQPBOHQ-UHFFFAOYSA-N 444.354 5.036 0 40 IKAB COc1cc(C(=O)N(C)Cc2ccccc2N2CCCC2)ccc1OCc1ccccc1 12524924 LQFBNKQDPQHBAE-UHFFFAOYSA-N 430.548 5.147 0 40 IKAB COC(=O)c1c(-c2csc(-c3cccc(NC(=O)C4CC4)c3)n2)c(C)n(C2CC2)c1C 12787597 DDIACVRZEVHRRG-UHFFFAOYSA-N 435.549 5.365 0 40 IKAB COc1ccc(NC(=O)c2ccccc2SCc2c(C)noc2C)cc1OC(F)F 12936095 VNZBNNGVJYFWDP-UHFFFAOYSA-N 434.464 5.446 0 40 IKAB Cc1ccc(CN(C(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccc(C)cc2)cc1 13026880 CVQHFTXWJWPNQH-RUZDIDTESA-N 430.548 5.339 0 40 IKAB COc1ccccc1[C@@H]1[C@@H](C(=O)Nc2ccc(C)c(C)c2)CCC(=O)N1c1ccc(C)cc1 13042160 ZPGLYXBRLNTASV-RPLLCQBOSA-N 442.559 5.743 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc2sccc2n1Cc1ccccc1 13083061 AYJTZUFHHNTHQA-UHFFFAOYSA-N 434.870 6.676 0 40 IKAB CCN(C(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12)c1cccc2ccccc12 13148914 LHXDZQVMRASIOL-UHFFFAOYSA-N 439.342 6.435 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1[C@H](C)Oc1ccccc1Cl 13870827 LJBUJACFZVIRHF-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB COc1cc(/C=C2\C(=O)Nc3ccccc32)c(Br)cc1OCc1ccccc1 13914643 SSNBHTAVPVALRY-WQRHYEAKSA-N 436.305 5.529 0 40 IKAB Cc1cccc2sc(N(Cc3ccccc3)C(=O)CSc3nnc(C4CC4)o3)nc12 14242611 YCJRKXXQRJUVIW-UHFFFAOYSA-N 436.562 5.191 0 40 IKAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 14269803 RBNVUPHGWNANPS-DHZHZOJOSA-N 447.343 5.788 0 40 IKAB O=C(c1ccccc1)[C@@H](Sc1nc2sc3c(c2c(=O)[nH]1)CCCC3)c1ccccc1 15379141 MMORBMNHIGBMFN-NRFANRHFSA-N 432.570 5.580 0 40 IKAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1c1ccc(SC)cc1 15412558 DMWCXGMOKBGJBT-RUZDIDTESA-N 446.572 5.155 0 40 IKAB CCC(C)(C)[C@@H]1CCc2c(sc3c2C(O)=N[C@@H](c2cc(OC)c(O)c(OC)c2)N3)C1 15946215 CNQLMTYELNUCMS-ZUOKHONESA-N 430.570 5.441 0 40 IKAB O=C1SC[C@@]2(Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)N1Cc1ccccc1 16712012 XASMYCNNQLLLHV-RCZVLFRGSA-N 427.529 5.253 0 40 IKAB Cc1ccc(-c2noc(CSc3nc4ccccc4c(=O)n3Cc3cccs3)n2)cc1 17051877 QIQULFOWRUCCKF-UHFFFAOYSA-N 446.557 5.157 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)c3ccc(-c4ccc(Br)cc4)o3)nc12 17095306 QNLMVHDALRIEAC-UHFFFAOYSA-N 427.323 6.188 0 40 IKAB Cc1ccc(-c2nnc(Nc3ccc4c(c3)ncn4-c3ccc(C)cc3)c3ccccc23)cc1 17161540 WOZAWBKLXNLOKM-UHFFFAOYSA-N 441.538 6.996 0 40 IKAB CCc1nc(Nc2ccc(-c3nc4ccccc4s3)c(O)c2)c2oc3ccccc3c2n1 17250248 YAGXWUKHRIQCJN-UHFFFAOYSA-N 438.512 6.664 0 40 IKAB C[C@@H](NCc1cccc(NC(=O)c2ccccc2Cl)c1)c1ccccc1Br 17312609 RTRYSOIFJKAPNF-OAHLLOKOSA-N 443.772 6.206 0 40 IKAB C[C@H](c1ccncc1)N1CCC[C@@H]1c1cc2nc(-c3cccs3)cc(C(F)(F)F)n2n1 19459697 JYNCIIWGLXPXPJ-RDTXWAMCSA-N 443.498 5.770 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccc(C)c(Cl)c3)cc2s1 19645554 QURBYBOYXDXMEV-UHFFFAOYSA-N 446.985 5.124 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(CN2CCc3ccccc32)cc1 20459761 JWKLVCDEEXNSJH-UHFFFAOYSA-N 437.008 5.566 0 40 IKAB CC(C)(C)c1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 20468060 UWDYDQIXFDDYME-JOCHJYFZSA-N 445.950 6.207 0 40 IKAB O=C(C1=C(c2ccccc2)SCCO1)N(Cc1c(F)cccc1Cl)c1ccccn1 20744679 ZQLASVJNVXEXEX-UHFFFAOYSA-N 440.927 5.540 0 40 IKAB CCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255805 PFPDBTYUOIOCCG-JOCHJYFZSA-N 432.568 5.009 0 40 IKAB COc1ccccc1C(=O)N[C@@H](Sc1ccc(Cl)cc1)C(Cl)(Cl)Cl 27016271 XOZVQGZENRYJGY-HNNXBMFYSA-N 425.164 5.567 0 40 IKAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(CSc2nc3ccccc3[nH]2)cc1 27332755 ZAKODSQMXMIBJZ-QFIPXVFZSA-N 446.576 5.015 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-n1cccc1)Nc1ccc(Cl)cc1 27526608 QTVWIWISTQJHOG-UHFFFAOYSA-N 444.347 5.096 0 40 IKAB Cc1oc(-c2ccccc2)nc1CC(=O)NCc1ccccc1-c1ccc(CN(C)C)cc1 31079408 SYQUWHQQWMGSEA-UHFFFAOYSA-N 439.559 5.238 0 40 IKAB COc1ccc(-c2nc3cnccc3o2)cc1NC(=O)C(c1ccccc1)c1ccccc1 32094890 OBTPRHAFZIOIIP-UHFFFAOYSA-N 435.483 5.669 0 40 IKAB Cc1ccnc(NC(=O)c2cc(-c3ccccc3)nc3c2cnn3Cc2cccc(F)c2)c1 32841590 FRAIYMQJRMVNGV-UHFFFAOYSA-N 437.478 5.241 0 40 IKAB CCOc1cc(/C=C2\SC(=S)N=C2O)cc(Cl)c1OCc1ccccc1Cl 33707918 FZHCGNNYPFHVSK-SXGWCWSVSA-N 440.373 6.300 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1C(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C 34856242 UVWGKYLODFTVNF-ZOUOIUENSA-N 434.411 5.800 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2c(C)noc2-c2ccccc2)cc1 35671393 YRIRNUYFQILPLQ-UHFFFAOYSA-N 436.467 6.188 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=C[C@H](O)[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 39213791 QRSNTERZEKNKIZ-NHGCSETBSA-N 444.700 6.930 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(N2CCc3ccccc32)cc1 40116112 QIZVNOQZVYZVOE-UHFFFAOYSA-N 428.467 5.141 0 40 IKAB CC1=C[C@@]2(Nc3cc(C)c(C)c(Br)c3O2)c2c(C)nn(-c3ccccc3)c2O1 40545541 WWLGZJBCJXLXFW-QFIPXVFZSA-N 438.325 5.514 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)Nc3ccc(C)cc3)n2-c2ccc(F)cc2)cc1 44087027 IWIGBUBQSJPQEU-UHFFFAOYSA-N 447.535 5.726 0 40 IKAB Cc1ccc2c(Nc3cccc(Br)c3)c(C(=O)N3CCCC[C@H]3C)cnc2n1 49005310 WYHZCNJCFVXTIE-OAHLLOKOSA-N 439.357 5.459 0 40 IKAB CC(C)(C)c1ccc(OCCn2c3ccccc3n3c(=O)c(-c4ccccc4)nnc23)cc1 51325909 JUKSWRZUOFOUSV-UHFFFAOYSA-N 438.531 5.088 0 40 IKAB CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 58224956 QOXBPKJTVZKVHV-TWOQFEAHSA-N 438.959 5.187 0 40 IKAB COc1ccc(Cc2cccc(C3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)n2)cc1 72349675 LISNJOQVHUJZPQ-UHFFFAOYSA-N 439.559 5.111 0 40 IKAB CC(C)n1cc(CN2CC[C@H](c3c(C(=O)N(C)C)sc4ncccc34)C2)c2ccccc21 72352556 YWGGLNMCNKHRFT-SFHVURJKSA-N 446.620 5.523 0 40 IKAB CC1=Nc2c(c(=O)[nH]n2C(C)C)[C@@H](c2ccc(OCc3ccc(Cl)cc3)cc2)S1 85412276 GUNPRQCFUCYDTQ-HXUWFJFHSA-N 427.957 5.876 0 40 IKAB C/C=C\c1c(C(C)C)nc(C(C)C)c([C@H](C)O)c1-c1ccc(F)cc1OCc1ccccc1 85475032 HERVQUFQZXZOBU-QRGKHIHXSA-N 447.594 7.800 0 40 IKAB O=S(=O)(Nc1ccccc1C(F)(F)F)c1cc(Br)cc(C(F)(F)F)c1 98072709 NKVQPHQVZPAULD-UHFFFAOYSA-N 448.182 5.288 0 40 IKAB COc1ccc(-c2noc(-c3cccn3CC(=O)Nc3ccccc3C(C)C)n2)cc1F 98211439 WHMSUQXGETXHEG-UHFFFAOYSA-N 434.471 5.115 0 40 IKAB Cc1cc(=O)oc2cc(OC(=O)CC34C[C@H]5C[C@@H](CC(Br)(C5)C3)C4)ccc12 102440684 TWYXMRHGGROSNF-ZNAOMFPMSA-N 431.326 5.131 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 102681684 ZCLHYOSGLYGZBR-QMIHWGKISA-N 444.457 5.157 0 40 IKAB COc1ccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(C)C)c(OC)c1 102883121 LESDLZRFYNUMDI-VWLOTQADSA-N 448.563 6.152 0 40 IKAB O=C(O)[C@@H](c1c[nH]c2ccc(Cl)cc12)N1CCC[C@H](c2nc3ccccc3s2)C1 104826587 PSHCZBPSPAHRNI-RNODOKPDSA-N 425.941 5.436 0 40 IKAB COc1ccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 138631689 MXOMEVNSJIOCPB-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218876273 ZWHUQDCYKIEYSW-UHFFFAOYSA-N 448.401 5.488 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)c(Cl)c2)o1 222894558 WTEMCKFANLCLME-VQTJNVASSA-N 432.376 6.031 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109311 XEDAHZPYSINVEW-ZEQRLZLVSA-N 432.593 5.186 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCCOc1ccccc1 224183595 DUYBMHHUKDDFRC-VWLOTQADSA-N 436.596 5.020 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 224273802 HFPYRDPOSSZLOT-KRWDZBQOSA-N 435.395 5.116 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COCc1ccccc1 224460068 NTURZONRQCOHLJ-UHFFFAOYSA-N 426.310 5.427 0 40 IKAB COc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224540517 GWXIYYOQSRBNMH-BJKOFHAPSA-N 444.535 5.197 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3cccn3C)cc2)cc1 224711736 PDXBXCOCGFKZHM-RPBOFIJWSA-N 440.572 5.698 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2C)[C@H](Cc2ccccc2)C(=O)NC(C)C)c1 224794089 SPFCAMHDZMGFNI-HHHXNRCGSA-N 442.603 5.011 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224903028 MDQKAASZEOQDJD-RUZDIDTESA-N 448.994 5.047 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Cl)s2)N1CCCNc1ccccc1 225034096 DFPLHEBKAWVOFG-VQTJNVASSA-N 429.014 5.271 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 225267221 FFNVKZQODSINCG-ROUUACIJSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 225523763 IUHWBEWVUHDNEF-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 225546888 TYSFXDXAHOFZBB-LJQANCHMSA-N 443.031 5.512 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 225585481 ARYVANJEIRAXEL-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCc1cccc2c(CN3CC[C@H](c4c(C(=O)N(C)C)sc5ccccc45)C3)cn(C)c12 257216306 CTXNLHSMVLBPPF-IBGZPJMESA-N 445.632 5.647 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3c3ncc(Cc4ccccc4)o3)on2)cc1 257283107 OWUHQLOLWQRCOH-HSZRJFAPSA-N 443.503 5.296 0 40 IKAB CCc1cccc(CC)c1N1C[C@@H](C(=O)Nc2ccc(Oc3ccccc3)cc2)CC1=O 408646772 WJHZSZQLNVOJLE-NRFANRHFSA-N 428.532 5.595 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2ccccc2C(=O)NC2CCCCC2)cc(C)c1Cl 408705809 NUFDGKGOIWXJAG-QGZVFWFLSA-N 428.960 5.425 0 40 IKAB COc1ccc(CSc2nc3ccc(NC(=O)c4ccccc4Cl)cc3s2)cc1 408750647 PWBPKPVREAWHKW-UHFFFAOYSA-N 440.977 6.503 0 40 IKAB CC[C@@H](C)Oc1c(Cl)cc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 408931833 QUYFDYFQRWGRPX-CCOVPTLTSA-N 449.334 5.272 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N(Cc3ccccc3Cl)S(C)(=O)=O)cc2)c1C 409027128 AKCGCYGQVMIPAF-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CC1CCCCC1 409135601 PUJUQGORWTUQEA-HYARGMPZSA-N 425.525 6.021 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(OC(C)C)cc3)C2=O)cc1Cl 409181546 CXRSKUOMBKSNQZ-GRSHGNNSSA-N 444.940 5.111 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3nc(-c4ccc(F)cc4)cs3)c3ccccc3n2)s1 689303 ALEUFDCAMILOPT-UHFFFAOYSA-N 445.544 6.787 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1 907639 RKGCEMULRNJJLA-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB O=C1CS[C@H](c2cn(-c3ccccc3)nc2-c2cccs2)N1CCc1ccccc1 953971 IZVWWHOVBKZZMM-XMMPIXPASA-N 431.586 5.418 0 40 IKAB Cc1nn(Cc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)o2)c(C)c1Br 1000832 AYDVNOZUGOXDKJ-UHFFFAOYSA-N 442.235 5.175 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)N4CCCCC4)ncnc3c2c2c1CCCC2 1305058 YSJJWTXKMVFFGH-UHFFFAOYSA-N 440.638 5.346 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)C(=O)c3cccc(Cl)c3)cc2c1 1366839 DFWYJPPAGGORNX-UHFFFAOYSA-N 446.934 5.075 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n(-c3nc(-c4ccc(F)cc4)cs3)n2)c(OC)c1 1414039 DLARRLQGGNHGFR-UHFFFAOYSA-N 449.429 5.838 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NC[C@H]4CCCO4)ncnc32)c1 1447550 BIUBSRZFWGNIHV-LJQANCHMSA-N 438.453 5.697 0 40 IKAB C[C@@]1(C(Cl)(Cl)Cl)C2c3ccccc3C(c3ccccc32)[C@@]1(C)Br 1711920 JNUYLKYUSXCNOV-OPQOLIRYSA-N 430.600 6.808 0 40 IKAB Cc1ccc(C)c(OCC(=O)Nc2nc(-c3ccc(-c4ccccc4)cc3)cs2)c1C 1916472 BLGLVJYTPIUQKV-UHFFFAOYSA-N 428.557 6.420 0 40 IKAB Nc1c(Br)cc2oc(-c3cccc(Br)c3)nc2c1Br 2215347 LQNKPFYDOCONQW-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB CCc1cccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)c1 2247560 NUNWYRIXMWZMIZ-UHFFFAOYSA-N 429.321 5.961 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(Br)cc1)[C@H](c1ccccc1)C1CCCC1 2300849 QVJFJQBKRUBPAD-RPBOFIJWSA-N 448.404 6.629 0 40 IKAB Cc1nn2cc(-c3ccc(Br)cc3)cc2c2c(C)n(C3CCCCC3)c(C)c12 2406149 WRYFCCVBKJOSCH-UHFFFAOYSA-N 436.397 7.149 0 40 IKAB O=C1C[C@@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 2406568 DJTTTWUYTYLKEN-LQOCYXTFSA-N 434.322 5.924 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3c(oc4ccccc43)c(=O)n2-c2ccccc2)c1 2713429 HZIRGSWUXCKODF-UHFFFAOYSA-N 441.512 5.171 0 40 IKAB aggregator CC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccc(F)cc2)c2ccccc2)C[C@@H]1C 3065087 XEJUWOWOZCKXHQ-BVZFJXPGSA-N 432.495 5.124 0 40 IKAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 3287854 ZSGZXYOILKFLMV-KRWDZBQOSA-N 428.646 5.755 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CSc1ccc(Cl)cc1 3292675 NDZHOMUAEUGPRS-UHFFFAOYSA-N 437.995 6.038 0 40 IKAB CC(C)c1ccc(-c2ncc(CSc3nnc(CN4CCCCCC4=O)o3)s2)cc1 3324517 VVEHWXVQXFQRNP-UHFFFAOYSA-N 442.610 5.511 0 40 IKAB CCOc1ccc(NC(=O)COC(=O)c2cc(-c3cccs3)nc3ccccc23)cc1 3347367 AEDZEILYSCWEAV-UHFFFAOYSA-N 432.501 5.158 0 40 IKAB O=C(c1cccs1)c1noc(-c2cccc3ccccc23)c1S(=O)(=O)c1ccccc1 3848885 VUXPPOWWRIMBBP-UHFFFAOYSA-N 445.521 5.620 0 40 IKAB biogenic C[C@H]1CCC[C@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 4178038 USUKRHRKFGRIRR-FMSGJZPZSA-N 430.858 5.193 0 40 IKAB Cc1ccc(Oc2ccc(OCC(=O)Nc3ccccc3-c3nc4ccccc4[nH]3)cc2)cc1 6016965 CMWALVPLIUGDRQ-UHFFFAOYSA-N 449.510 6.348 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2ccccc2Cl)cc1 6510950 UGSKXMJKZPGTJT-UHFFFAOYSA-N 445.950 5.676 0 40 IKAB Cc1ccc(-c2noc(CN(C(=O)Cc3ccc(-c4ccccc4)cc3)C(C)C)n2)cc1 6736954 QYYLPGSQAPMVSV-UHFFFAOYSA-N 425.532 5.692 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Br)cc4)o2)N3)C1 8722375 GMDGXPSKSJFLLN-NSPYISDASA-N 443.366 5.750 0 40 IKAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(-c4ccc(Cl)cc4Cl)o2)N3)C1 8722387 RQAOAQLTXBGWLD-GIGQVBGESA-N 433.360 6.294 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c(C)c1 8752682 IHOPHOBYCJPOIH-GOSISDBHSA-N 447.941 6.014 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2Cl)CC1 8832513 XLKKNBWHBGMJPI-UHFFFAOYSA-N 442.003 5.339 0 40 IKAB CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3c(C)c(C)c(C)c(C)c3C)ccc21 8840726 BEUSCRUHYYLDAN-UHFFFAOYSA-N 428.598 5.109 0 40 IKAB Fc1c(F)c(F)c(Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c(F)c1F 9124925 ASDHBAJJTOLHKR-MRVPVSSYSA-N 433.427 5.032 0 40 IKAB CCOc1ccc(-c2nc(NC(=O)CSc3ccc(NC(C)=O)cc3)sc2C)cc1 9315494 VENNQLVFKOVXAN-UHFFFAOYSA-N 441.578 5.206 0 40 IKAB CCn1cnnc1SCC(=O)c1cc(C)n(C(c2ccccc2)c2ccccc2)c1C 9412984 COOKGKIAKNINMJ-UHFFFAOYSA-N 430.577 5.329 0 40 IKAB CCOc1ccc(/N=c2\scc(-c3ccc(OC)cc3)n2CCc2ccccc2)cc1 9500242 PVXCIXYOAMOBAQ-RQZHXJHFSA-N 430.573 6.099 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1oc2ccccc2c1NC(=O)c1cccc2ccccc12 9518324 UZTYIYDCTRRHCN-UHFFFAOYSA-N 440.886 6.744 0 40 IKAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2ccccc2)n1 9608256 JBWVTCCDVRJWBV-SANMLTNESA-N 439.540 5.000 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)cc(=O)c3c2)c1 9660244 HSVJOQJREVYQMF-UHFFFAOYSA-N 443.499 5.853 0 40 IKAB biogenic CCOc1cccc2sc(N(Cc3ccccn3)C(=O)c3ccc(C(C)=O)cc3)nc12 10187567 DYHBWYNQKLTODR-UHFFFAOYSA-N 431.517 5.140 0 40 IKAB O=C(CSc1nc2ccccc2s1)N1CCC(c2nc3ccccc3s2)CC1 10213294 PGMSZNSSMAJXDE-UHFFFAOYSA-N 425.604 5.404 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)NCCSc2ccc(Cl)cc2)cs1 11415311 FFOVFPZYHNHXBL-UHFFFAOYSA-N 432.998 5.313 0 40 IKAB COc1ccc(Nc2c(-c3c[nH]c4ccccc34)nc3ccc(Br)cn23)cc1 12370930 HPECEHZFINETLL-UHFFFAOYSA-N 433.309 5.997 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F 12490701 NXGNUQBTMGTMDH-SFHVURJKSA-N 442.865 5.014 0 40 IKAB COc1ccc(-c2nc(COC(=O)CCCc3c[nH]c4ccccc34)cs2)cc1OC 12590670 POPDJKCGFKXQTO-UHFFFAOYSA-N 436.533 5.375 0 40 IKAB COc1ccccc1NC(=O)N(Cc1nc(-c2ccc(Cl)cc2)no1)C1CCCCC1 12654150 UYXFZTHZUJVOHI-UHFFFAOYSA-N 440.931 5.765 0 40 IKAB Cc1ccc(NC(=O)[C@H](NCc2cc(Cl)c3c(c2)OCCCO3)c2ccccc2)cc1 12683180 ADOBJIQHJDRIBY-HSZRJFAPSA-N 436.939 5.279 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2Br)n[nH]1)c1nnc(-c2cccs2)o1 12697605 TZKPXENVNCTLOF-SECBINFHSA-N 434.344 5.199 0 40 IKAB Cc1cccc2sc(C(=O)N3CCC(C(=O)NCc4ccccc4)CC3)c(Cl)c12 12864507 PFWNYUOXJVXADZ-UHFFFAOYSA-N 426.969 5.032 0 40 IKAB Cc1ccc(SCCN[C@@H](C)c2nc(=O)c3c(-c4cccs4)csc3[nH]2)cc1 12993661 FSGFEJMNPFCVAQ-AWEZNQCLSA-N 427.620 5.464 0 40 IKAB COc1ccc(-c2csc(NC(=O)Cc3ccc(Cl)cc3)n2)cc1Br 13098433 STQUTWKJGHMZPA-UHFFFAOYSA-N 437.746 5.416 0 40 IKAB CCC(C)(C)NC(=O)[C@@H](c1ccc(F)cc1)N(C(=O)c1ccoc1C)c1cccc(C)c1 13503526 NQORFEGXSKSKDF-HSZRJFAPSA-N 436.527 5.728 0 40 IKAB COc1ccc(C(=O)Nc2cc(C)c(O)c(-c3nc4cc(C)cc(C)c4o3)c2)cc1OC 13519429 DVKAGVICOJWTIR-UHFFFAOYSA-N 432.476 5.395 0 40 IKAB O=C(c1cccs1)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 14819601 BGVBOCPOJDGJEL-OAHLLOKOSA-N 449.395 5.460 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C(=O)c3ccc(F)cc3)cccc2c1=O 15057366 UBSAKRDGQMZLPU-INIZCTEOSA-N 430.431 5.336 0 40 IKAB Cc1ccc(C(=O)c2oc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2C)cc1 15729387 VTQAJORXWNABIH-UHFFFAOYSA-N 425.528 6.830 0 40 IKAB biogenic COc1cccc(C(=O)c2oc3cc(NC(=O)c4ccc(C(C)(C)C)cc4)ccc3c2C)c1 15729399 APKYPSMUBWCONE-UHFFFAOYSA-N 441.527 6.531 0 40 IKAB biogenic CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)COc2ccc(C(C)C)cc2)c1 16637081 UNJXDHGRXLEKRM-UHFFFAOYSA-N 447.988 5.094 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)/C=C/c4ccc(Cl)cc4)cc3)nc2c1 17097264 ITMZOLCJVJKYJQ-GFGNLIMNSA-N 430.935 7.314 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3cccs3)c1)O[C@H]1CCCC[C@H]21 17724603 JYQQAGGPXAPCLP-MHPIHPPYSA-N 449.572 6.163 0 40 IKAB O=C(NC(=S)Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc(F)c1 19635032 UGGAUSHBLWZDHK-UHFFFAOYSA-N 441.940 5.883 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc([C@@H](C)CC)cc2)cc1 19644851 XYQSCQLDNVJKKC-FQEVSTJZSA-N 446.547 5.384 0 40 IKAB O=C1CCCN1c1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 20484252 FMZGODOLFNVBTC-UHFFFAOYSA-N 442.924 5.060 0 40 IKAB Cc1ccc(C(=O)N2CCCc3cc(S(=O)(=O)Nc4c(C)cccc4C)ccc32)cc1 20765999 KRMLYNXKUINLCF-UHFFFAOYSA-N 434.561 5.006 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1 21595432 JBZAVLCCRRRFRP-SDNWHVSQSA-N 440.886 7.060 0 40 IKAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1occc1CS(=O)(=O)c1ccccc1 22020210 DQRMYEYWCGIYFI-UHFFFAOYSA-N 448.525 5.269 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCC1)c1cccc(OCc2ccccc2Cl)c1 22258595 KGKRCGYNRNWHEX-UHFFFAOYSA-N 434.923 5.407 0 40 IKAB CC(C)c1ccc(C(=O)N2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1 23057405 XUZKPPSDXOWOBR-UHFFFAOYSA-N 442.588 5.444 0 40 IKAB CC(C)c1ccc(CCC(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 25767407 FKAPSGVHQJKQMD-UHFFFAOYSA-N 426.604 5.676 0 40 IKAB Cc1ccccc1NC(=O)Nc1ccc2nc(SCCOc3ccccc3)sc2c1 33018500 ZOGKTQHVWNIGSM-UHFFFAOYSA-N 435.574 6.420 0 40 IKAB COc1cccc(NC(=O)c2cc3cc(Cl)ccc3o/c2=N\c2ccccc2OC)c1 33760982 PZVUIRRTWHEXTI-PNHLSOANSA-N 434.879 5.588 0 40 IKAB Cc1cccc(OCC(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1C 34852347 LKWGFRFESVEUPL-UHFFFAOYSA-N 433.891 5.748 0 40 IKAB CCOC(=O)/C=C/c1ccc(NC(=O)c2ccc(C)c(NC(=O)c3ccccc3)c2)cc1 40086835 WSMUFTUNFKMCEG-FOWTUZBSSA-N 428.488 5.076 0 40 IKAB CCc1ccc(Cn2c(=O)c3sccc3n3c(SCc4cccc(C)c4)nnc23)cc1 45924587 VZIJZHLCTDPLAY-UHFFFAOYSA-N 446.601 5.317 0 40 IKAB CC(C)(C)[C@@H]1CCc2nc(-c3ccncc3)nc(Nc3cccc(C(F)(F)F)c3)c2C1 57774922 MTUMBPKXHWPLCV-MRXNPFEDSA-N 426.486 6.452 0 40 IKAB Cc1nc(COc2ccccc2/C=C/C(=O)Nc2ccccc2NCC(F)(F)F)cs1 58023070 WMRBIFKLEJTLNF-ZHACJKMWSA-N 447.482 5.657 0 40 IKAB Cc1cccc(C(=O)Oc2ccc(/C=C3\N=C(c4ccc(C(C)(C)C)cc4)OC3=O)cc2)c1 59503064 BFZUISWPJHBVPL-ULJHMMPZSA-N 439.511 5.856 0 40 IKAB C=Cc1ccc(CSc2nc3ccccc3c(=O)n2-c2ccc(OC)cc2OC)cc1 67258891 COPYKVJNSXOOFH-UHFFFAOYSA-N 430.529 5.338 0 40 IKAB CC(=O)N(c1nc(CN(C2CC2)[C@@H]2CCCOc3cc(C)c(C)cc32)cs1)C1CC1 72309433 JJONUXMINOHGGJ-JOCHJYFZSA-N 425.598 5.154 0 40 IKAB O=C(NCc1cccc(F)c1)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344375 ZUOUQJIFRFRDAM-XMMPIXPASA-N 446.522 5.178 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1cccc(F)c1 100967673 FOGUVKOKUQBLPP-HRFSGMKKSA-N 426.491 6.396 0 40 IKAB CCC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@H]1c1cc(OC)ccc1OC 102710059 SFWRWQOJEDGSAH-RUZDIDTESA-N 434.536 5.906 0 40 IKAB Cc1cc(C)c(N2C=[N+]3C(=N[C@@H](c4ccccc4)[C@@H]3c3ccccc3)c3ccccc32)c(C)c1 116420464 VYQNRVYRFYGNOI-JDXGNMNLSA-N 442.586 7.047 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@H]4[C@@](Cl)(N=O)CCC[C@]4(C)[C@H]3CC[C@@]21C 118932627 OFMIYRIIUFCNER-MYMLUCEJSA-N 436.124 8.809 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 222508383 WHWSAPTVNUMEFO-OAQYLSRUSA-N 433.017 5.154 0 40 IKAB CCCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)CCC 223129450 CJBAXTRPYNZMPF-HSZRJFAPSA-N 429.004 5.386 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1ccccc1C(C)(C)C 224166735 LVUDOUPMCNCFAE-UHFFFAOYSA-N 437.967 6.155 0 40 IKAB Cc1ccccc1[C@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2cccs2)cc1)C(C)C 224186404 UNTAAMWFJNWGBG-JOCHJYFZSA-N 442.606 5.009 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)C)c1 224231976 IDDJRJBIEPBEFM-UHFFFAOYSA-N 433.504 5.437 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 224402169 ZVWBZGVIOXCQCU-QHCPKHFHSA-N 444.978 5.278 0 40 IKAB Cc1cc(C)cc(N(Cc2ccc(C(=O)NC(C)(C)CC(C)(C)C)cc2)S(C)(=O)=O)c1 224658223 UUEBSHNGZOGBAB-UHFFFAOYSA-N 444.641 5.214 0 40 IKAB COc1ccc(NC(=O)CCc2ncc(-c3ccc(Br)cc3)o2)cc1Cl 224878542 RVNMRPUFVANLMQ-UHFFFAOYSA-N 435.705 5.337 0 40 IKAB CCC(=O)N(Cc1c(Cl)cccc1Cl)[C@@H](Cc1ccccc1)C(=O)NC1CCCC1 225101987 TVMIQVONLCEARL-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 225481396 NYDSEGNPKRNZGR-DENIHFKCSA-N 445.003 5.058 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=S)NCCCOC3CCCC3)c2)cc1 225620348 CMVBJAFTQLDHHS-UHFFFAOYSA-N 438.637 5.851 0 40 IKAB C[C@H]1Cc2ccccc2N1CCCNC(=S)Nc1ccc(CSc2ccccc2)cc1 225740037 SQRPZOZXHYGABE-FQEVSTJZSA-N 447.673 6.107 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3Cl)o2)s1 257216247 CTRYMGYNJGPPLA-IBGZPJMESA-N 429.973 5.288 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(F)(F)F)ccc2C)cc1 408546764 VHEFFTRADDPJHU-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2Oc2ccccc2)cc(Br)c1OC 408558794 VUASUPLYJLNVHJ-UHFFFAOYSA-N 442.309 5.901 0 40 IKAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408642651 PIPKJSXUIZHKST-FQEVSTJZSA-N 444.531 5.486 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2cccc(C)c2)cc1 408698745 PBIKCRNWCIPVSN-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Oc1nc(-c2ccc(OCc3cccc(F)c3)cc2)nc2sc3c(c12)CCCCCC3 408993369 WHLGBTZSMCCVOZ-UHFFFAOYSA-N 434.536 6.441 0 40 IKAB CCc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1 409117908 MCMZOGDZOUXFFP-UHFFFAOYSA-N 436.382 7.900 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N(Cc3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 409179587 RRQVBYCLFMTQBO-PMERELPUSA-N 446.594 7.484 0 40 IKAB Cc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1C 409206356 VGJLJYYSSBVNIS-UHFFFAOYSA-N 447.387 6.644 0 40 IKAB COCCCN1C(=O)S/C(=C/c2c(C)n(Cc3ccccc3F)c3ccccc23)C1=O 409223313 FFAXSUWFJCOMPD-HYARGMPZSA-N 438.524 5.210 0 40 IKAB CCCCc1ccc(NC(=O)CCc2ccc(S(=O)(=O)NC3CCCCC3)cc2)cc1 409239908 OEFNSNGIZCNFKY-UHFFFAOYSA-N 442.625 5.212 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)c1 409383824 JNVLLJBUAYSDFX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(Cc2ccccc2Cl)CC[C@@]1(C)O 514289655 ARMKRNAUZZHOFM-QNWVGRARSA-N 435.033 5.021 0 40 IKAB biogenic,in-vitro CCCCCC(=O)N1CCC[C@](COc2ccc(Cl)cc2)(CC(=O)N2CCCCC2)C1 585268755 ILZLDOKQBZWCQU-VWLOTQADSA-N 449.035 5.311 0 40 IKAB O=C(Nc1nc([C@H]2CCCN2Cc2nccs2)cs1)c1ccc(C(F)(F)F)cc1 585268788 OHLAWTJTEZTQJK-OAHLLOKOSA-N 438.500 5.208 0 40 IKAB Cc1cc(CN2CCC[C@H]2c2csc(NC(=O)c3ccc(C(F)(F)F)cc3)n2)no1 585268795 RXEWCQNCBIIOLD-KRWDZBQOSA-N 436.459 5.048 0 40 IKAB CC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ccccc12 834414 DSFQNOSQYVRWMF-UHFFFAOYSA-N 435.545 6.195 0 40 IKAB aggregator O=C(CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1)Nc1ccc(F)cc1 868711 GQQQZWQWBZVTMU-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902059 SYVLZTITHNBSHY-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB CSc1ccc([C@H](c2c(NC(=O)c3ccco3)sc(C)c2C)N2CCOCC2)cc1 1098125 KMROETHMNLXCMM-OAQYLSRUSA-N 442.606 5.354 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccc(Cl)cc1)N(Cc1cccs1)C(=O)c1ccco1 1382702 IHNNYJJMXQUMIF-NRFANRHFSA-N 442.968 5.437 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1789817 DGMIALXAIIGBLP-RYUDHWBXSA-N 448.013 5.597 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)cc1 1791689 IFOPBBPSHKEUSG-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB O=C(N[C@@H](Nc1ccc(Cl)c(Cl)c1)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054613 LYDRDSZKRCXKFF-CQSZACIVSA-N 446.976 6.185 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OCC(=O)c3ccc(Br)cc3)c12 2202852 SKGWRGXVHFRRML-UHFFFAOYSA-N 429.310 5.468 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccs2)N1c1nc2ccc(F)cc2s1 2237769 FETORBIUKSMCSN-GOSISDBHSA-N 434.473 5.353 0 40 IKAB Fc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCCO4)c1 2690588 BUNYFJROGMIEBW-UHFFFAOYSA-N 445.881 5.815 0 40 IKAB O=c1c2c(nc(SC(c3ccccc3)c3ccccc3)n1-c1ccc(F)cc1)CCS2 2719968 DWZPGTUUFQBAPF-UHFFFAOYSA-N 446.572 5.902 0 40 IKAB O=C(Nc1nn(Cc2cccc(F)c2)cc1Cl)c1cccc(COCC(F)(F)F)c1 2795482 RWXZCGGZXKEQFH-UHFFFAOYSA-N 441.812 5.055 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O[N+](=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C 5758810 YYFZLFRYFOLELG-DPAQBDIFSA-N 431.661 7.605 0 40 IKAB Brc1ccc([C@@H]2CC(c3cccc4ccccc34)=Nc3ccccc3S2)cc1 5809419 BYPDBBMFPDCYQN-VWLOTQADSA-N 444.397 7.960 0 40 IKAB COc1ccccc1[C@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 8427266 IZJSEQAYUDYUPI-OAQYLSRUSA-N 441.756 6.467 0 40 IKAB COC(=O)c1ccc(/C=C/c2ccc3cccc(OCc4ccccc4Cl)c3n2)cc1 8453133 SUYFKNPNLZQDKM-RVDMUPIBSA-N 429.903 6.424 0 40 IKAB CCCCn1nc(C)c(C(=O)Nc2ccc(Br)c(C(F)(F)F)c2)c1Cl 8747855 HKUDIDQUQQTWGF-UHFFFAOYSA-N 438.675 5.679 0 40 IKAB COCCN1C(=O)CS[C@H]1c1ccc(OCc2ccccc2)c(OCc2ccccc2)c1 8879374 MQGHACCRZXCAHS-SANMLTNESA-N 449.572 5.065 0 40 IKAB CN(C)c1ccc([P@](=O)(OC2CCCCC2)[C@@H](Nc2ccccc2)c2cccnc2)cc1 9193014 CHXUUZWXXVSHNQ-DICHSLLOSA-N 449.535 6.211 0 40 IKAB CCCCCN1C(=O)N(c2cccc(C)c2)[C@@H](N(O)C(=O)Nc2cccc(C)c2)C1(C)C 9244369 SPPNSABZNNSWHM-QFIPXVFZSA-N 438.572 5.764 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCC1)c1cc(-c2ccco2)nc2ccccc12 9244676 LMHHGKGRKXZQKP-UHFFFAOYSA-N 425.488 5.373 0 40 IKAB O=C1/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC(=S)N1Cc1ccccc1 9296382 YKECNDDRAAJPCB-PDGQHHTCSA-N 428.435 5.223 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)/C=C/c3ccccc3)C3CCCCC3)n2)cc1OC 9355739 YAIUTVMYQBJNDL-DTQAZKPQSA-N 447.535 5.129 0 40 IKAB CSc1nc2ccc3nc(NC(=O)c4cccc(Br)c4)sc3c2s1 9404738 DXADXLBNGAHPDC-UHFFFAOYSA-N 436.381 5.643 0 40 IKAB O=C(Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12)c1ccccc1C(F)(F)F 9413944 OGPOAMYHNJBFCP-UHFFFAOYSA-N 442.368 6.095 0 40 IKAB COc1ccccc1NC(=O)C(=Cc1ccc(SC)cc1)C(=O)Nc1ccccc1OC 9467332 HGGNVIQKOGXPOM-UHFFFAOYSA-N 448.544 5.087 0 40 IKAB CN(Cc1ccsc1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 9647553 YFMISMRTZBDCTG-UHFFFAOYSA-N 429.567 5.310 0 40 IKAB Cc1c(C(=O)c2ccc(Cl)cc2)oc2cc(NC(=O)c3ccc(C(C)(C)C)cc3)ccc12 9659936 CTYXTDWEBWZBQM-UHFFFAOYSA-N 445.946 7.175 0 40 IKAB biogenic COc1ccc(NC(=O)[C@H](Sc2ncnc3sccc23)c2ccccc2)cc1Cl 9797605 GRYWUAVELLLYTD-GOSISDBHSA-N 441.965 5.825 0 40 IKAB COc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccccc3C)[C@H]2c2ccccc2OC)cc1 9865018 GYQFSFXRYWUVOL-ATIYNZHBSA-N 444.531 5.135 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1F)c1ccc(C(=O)Nc2cccc3ccccc23)cc1 10364225 BDKXSCRWGCDVJF-UHFFFAOYSA-N 448.519 5.197 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3ccc(Br)cc3F)cc(-c3ccco3)nc21 10510993 JCOHCOPJQVZWNA-UHFFFAOYSA-N 443.276 5.426 0 40 IKAB Fc1ccccc1-n1cnnc1SCCCc1nc(-c2cccc(C(F)(F)F)c2)no1 12597946 TXIFCDAKPSIDBK-UHFFFAOYSA-N 449.433 5.200 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)N(c1ccccc1)c1nc(-c2ccccc2)ns1 12783664 CJHULLFDSSBFHG-UHFFFAOYSA-N 439.462 6.131 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)Cc1ncc(-c2ccc(Cl)cc2)o1 12789702 QSXKZLBNUBKQPW-UHFFFAOYSA-N 438.742 5.762 0 40 IKAB CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)Cc2ccc(-c3ccccc3)cc2)cc1 12817384 ZGNMAIODBPOYCZ-UHFFFAOYSA-N 438.527 5.078 0 40 IKAB CCn1c(SCc2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)nnc1C1CC1 12936236 RVZBAAZUHZJHLM-UHFFFAOYSA-N 431.565 5.329 0 40 IKAB CCN(Cc1ccc(Br)s1)Cn1nc(-c2ccccc2F)n(C)c1=S 12984720 ROWHTPLCOIRNSN-UHFFFAOYSA-N 441.395 5.061 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)cc1 13116084 JLZXNKUVDKJRCM-HSZRJFAPSA-N 428.561 5.186 0 40 IKAB Cc1nn(-c2ccccc2)c2sc(C(=O)OCCCc3nc(-c4ccccc4)no3)cc12 13150204 BENGAORTAFLGQX-UHFFFAOYSA-N 444.516 5.235 0 40 IKAB Cn1c(COc2cccc(C(F)(F)F)c2)nnc1SCc1c(F)cccc1Cl 13325736 CRSRNLAKGWEJKW-UHFFFAOYSA-N 431.842 5.498 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1[C@H](C)Oc1ccccc1Cl 13870913 HONNFDBAPKTHTQ-INIZCTEOSA-N 444.988 5.439 0 40 IKAB Cc1ccccc1OCc1n[nH]c(SCC(=O)N(c2ccccc2)C2CCCCC2)n1 14066238 OTTQMXABDGXNLB-UHFFFAOYSA-N 436.581 5.150 0 40 IKAB CCn1c(SCc2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1Cl 14070018 FILWMBWIKRMHEJ-UHFFFAOYSA-N 443.197 6.327 0 40 IKAB CC1=C(C(=O)Nc2ccc(F)cc2)[C@H](c2ccc(-c3cccc(Cl)c3)o2)NC(=S)N1 16043834 YEIWVOZNQDZOHB-FQEVSTJZSA-N 441.915 5.171 0 40 IKAB Cc1ccc(NC(=S)NCc2cccc(CNC(=S)Nc3ccc(C)cc3)c2)cc1 16237798 PKRTYEZMURUJLB-UHFFFAOYSA-N 434.634 5.277 0 40 IKAB COc1ccc(C(=O)CSC2=N/C(=C\c3ccccc3)C(=O)N2c2ccccc2)cc1 16740010 QOALUJKOTUIDMD-JWGURIENSA-N 428.513 5.055 0 40 IKAB CCOC(=O)N1[C@@H](c2ccccc2)N(c2ccccc2)[C@@H](c2ccccc2)N1C(=O)OCC 17418844 DSGORSPFIDYVHA-PSWAGMNNSA-N 445.519 5.736 0 40 IKAB O=C(NCc1cccs1)C1(Cc2ccccc2-c2coc3ccccc23)CCOCC1 19348537 REDJMNPIQURBAE-UHFFFAOYSA-N 431.557 5.817 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Cl)cc2)c2ccc(C)c(C)c2)cc1 19947030 LTKPEGMBWGSDSN-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CCc1ccc(Nc2nnc(SCc3csc(-c4ccc(Cl)cc4)n3)s2)cc1 23983123 XXSDVMCONZXVON-UHFFFAOYSA-N 445.038 6.913 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4nnc5n4CCCCC5)c3)o2)cc1 24831959 QJVUUQNAGFLZTQ-UHFFFAOYSA-N 442.519 5.404 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3[C@@H]2c2ccc3c(c2)OCO3)cc1 26772048 AVKOXLQFEXCUQS-MJBUPKGFSA-N 447.575 5.447 0 40 IKAB biogenic Cc1cc(C)c(-c2csc(NC(=O)[C@H](C)NC(=O)c3ccccc3Cl)n2)cc1C 29266204 VHEVAGLIAWFBGO-HNNXBMFYSA-N 427.957 5.146 0 40 IKAB CCOCc1ccccc1CNC(=O)c1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 30177582 JUNOGZXRXZEKGS-UHFFFAOYSA-N 437.849 5.011 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCCCCOc3ccc(Cl)cc3)c3ccccc3n2)o1 32836117 XHCOJIACUFNIKH-UHFFFAOYSA-N 434.923 6.046 0 40 IKAB Cc1sc(=O)n(CC(=O)N(C2CC2)[C@@H](C)c2ccc(Cl)cc2)c1-c1ccc(F)cc1 40132928 AJYUPILSOXQAHV-AWEZNQCLSA-N 444.959 5.430 0 40 IKAB Cc1ccc(NC(=O)Cn2c(-c3ccc(Br)cc3)nc3ccccc32)c(C)c1 40307579 RABAKOCEVFSAQN-UHFFFAOYSA-N 434.337 5.721 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72214734 OTGBQBFXXPIHHS-OAQYLSRUSA-N 439.556 5.707 0 40 IKAB O=C(Cc1ccccc1)N1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359455 GNGGOBLFUDONSG-LJQANCHMSA-N 425.454 5.111 0 40 IKAB CCOc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCC2 72398617 HPMDLLFMLUYPQP-GJZUVCINSA-N 449.639 5.085 0 40 IKAB Cc1ccc(-c2nc3c(Br)c(N)c(Br)c(C)c3o2)cc1Cl 73639523 KIOSQVRJPWHYJN-UHFFFAOYSA-N 430.527 5.872 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccs1)Nc1ccc2c(c1)C(=O)CCC2 79063483 CGJWZGQQBLOTIU-WYMLVPIESA-N 439.540 5.772 0 40 IKAB Cc1ncc(-c2ccncc2C)c([C@H]2CC[C@H](CNC(=O)c3cc(C4CC4)oc3C)CC2)n1 100739149 MJNQLUINYIHYBR-TYKWCNGQSA-N 444.579 5.638 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)N5CCN(CCc6ccccc6)CC5)(C4)C2)C3)cc1 101120136 LBUUVJVDLGLPKK-LGAXSRDJSA-N 442.647 5.220 0 40 IKAB C[C@H](NC(=O)c1cc2cc(Br)cc(Br)c2o1)[C@H]1C[C@H]2CC[C@H]1C2 102137394 MHVWLMHRSSAGAX-AYGWYOGXSA-N 441.163 5.512 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Br)cc2)cc1OCC 106992614 GXOVTZIDAWCRLN-UHFFFAOYSA-N 443.179 6.011 0 40 IKAB Clc1ccc(NCc2cc(Br)ccc2OCc2ccccc2)cc1Cl 107026918 LWJNIEYKAJNKGV-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CC(C)n1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)c2ccccc21 214455861 SAFKXABUKYHTEL-AWQFTUOYSA-N 445.371 6.766 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1C1CCCCC1 223093332 VVZRPFUQSRYLKY-LOSJGSFVSA-N 436.669 6.310 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccccc1Cl 223788627 OEXBTJDPSFGCOD-QFIPXVFZSA-N 449.422 5.650 0 40 IKAB Cc1cc(Br)cnc1NC(=S)NCC1(c2cccc(Cl)c2)CCCC1 223987239 STIWCOGXPSXGSS-UHFFFAOYSA-N 438.822 5.604 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccc(C)cc1 224140479 YRSBTDCVDDXKMD-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cccc2ccccc12 224307968 WBPMXQFZJSBJDJ-OAQYLSRUSA-N 439.555 6.179 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(F)cc2)c(C)n1-c1cccnc1 224392413 MLWYNGVBAPOMPG-BJKOFHAPSA-N 443.551 5.200 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1Cl 224404094 PWZSMTMUIFSKDM-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224544786 QVRXJEMQZRLTBE-DNQXCXABSA-N 427.529 5.527 0 40 IKAB CCN(c1ccc(OC2CCCC2)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1Cl 224630951 JLDSCSCKAKFTOB-UHFFFAOYSA-N 444.380 5.539 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1CSc1ccc(Cl)cc1 224672625 FSIMDYJHVDVHFX-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224674605 CJXNFUBNXADQAK-LJQANCHMSA-N 442.600 5.092 0 40 IKAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl 224863699 YIGLGVISXANCMB-HNNXBMFYSA-N 438.420 5.689 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)(C)C 225131548 HLIHJOXXLJDISX-HSZRJFAPSA-N 438.612 5.005 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 225159475 KAVDPSYVRBIEOD-QHCPKHFHSA-N 426.988 5.139 0 40 IKAB O=C(c1cccc(C(F)(F)F)c1)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225242605 DZTPCOMJFLJKKR-GZTJUZNOSA-N 435.402 5.082 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)CCc2ccccc2)CC1 257274010 NJEIVKWBMVYMBA-MXVIHJGJSA-N 434.605 5.284 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CCc3cccc(F)c3)CC(=O)O)c(-c3ccccc3)c2c1 257291771 QIOHOJUWINBZII-UHFFFAOYSA-N 430.479 5.052 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@@H](c3cc(Nc4nc(C)cs4)cc(C)n3)C2)cc1 257320297 VWCNGAHCFKDSLR-HXUWFJFHSA-N 435.597 5.237 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2C)cc1NC(=O)c1ccccc1C 408559526 XPEMRRBUHSJYFV-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCOc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)c(Cl)c2)cc1 408615296 OMFXKIOTEWTNTD-UHFFFAOYSA-N 443.330 5.574 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 408698532 QRELAEKSWGMMRK-UHFFFAOYSA-N 442.881 6.132 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 408708804 SZUSVXZXKJODOG-NRFANRHFSA-N 432.951 5.031 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C/c3cc(Cl)cc(Cl)c3OC)N(C)C2=S)cc1 409045869 JGGROPRJQXIUKC-YVLHZVERSA-N 437.348 5.005 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1cc(C)ccc1C 409376930 CCFAZFYBSNABMP-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1ccc(CSCc2ccc(-c3nc(-c4cccc(C(F)(F)F)c4)no3)o2)cc1 575615151 FRMDCBOFIIAZJZ-UHFFFAOYSA-N 430.451 6.757 0 40 IKAB COc1ccc2c(c1)CCC[C@@H]2N[C@@H](C(=O)Nc1cc(C)ccc1OC)c1ccccc1 621354132 YUIUKRJDNWRPDI-JYFHCDHNSA-N 430.548 5.359 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCCN1C(=O)c1ccccc1 643584995 ZMXHHDOGQIZYIT-QHCPKHFHSA-N 436.596 5.269 0 40 IKAB COc1ccc(OC)c(-c2csc(N(Cc3ccccc3)C(=O)C3CCCCC3)n2)c1 881021 MMIDALZGTGMVAW-UHFFFAOYSA-N 436.577 5.941 0 40 IKAB Cc1ccc(F)cc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 901161 ZXAONNRSXHJBAX-CYBMUJFWSA-N 435.446 5.729 0 40 IKAB CCN(Cc1ccccc1)[C@H](c1ccc(Cl)cc1)c1nnnn1Cc1ccc(F)cc1 1327978 BSDFCMSHZPVRQV-HSZRJFAPSA-N 435.934 5.125 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc2nc(C3CC3)n(Cc3ccc(Cl)cc3)c(=O)c2c1 1363190 VPLKAYCARMLULR-UHFFFAOYSA-N 443.934 5.157 0 40 IKAB Cc1cccc(C)c1N(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 1380130 XZZVJHFRIPRXPH-XMMPIXPASA-N 434.511 5.482 0 40 IKAB O=C(Nc1ccccc1SC[C@@H]1CSc2nc3ccccc3c(=O)n21)c1ccccc1 1406127 ZTPUEBJUZXYSKB-QGZVFWFLSA-N 445.569 5.088 0 40 IKAB CC(C)(C)c1cc(C(=O)Oc2ccc(-c3cnc4ccccc4n3)cc2)cc(C(C)(C)C)c1 1824061 QCYMSDUQSNOKAB-UHFFFAOYSA-N 438.571 7.111 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4ccc(Cl)cc4Cl)c3)nc2c1 2031534 NKQJKEQIRFSASC-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB C[C@@H](CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)NC(=O)/C=C/c1ccc(C(C)(C)C)cc1 2114706 GTTTUPHLIOHOKJ-CPNFVEHESA-N 446.635 5.629 0 40 IKAB Clc1ccc2c(c1)N[C@]1(c3ccccc3)c3ccc(Cl)cc3N[C@]21c1ccccc1 2293652 RZWIURJMIWZPHK-CLJLJLNGSA-N 429.350 7.032 0 40 IKAB CCCOc1ccc2cc(-c3csc(NC(=O)Cc4ccccc4F)n3)c(=O)oc2c1 2639416 SFFKKYFAVLJEEU-UHFFFAOYSA-N 438.480 5.026 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl 2662955 XPAWPJONISTOAJ-UHFFFAOYSA-N 445.730 5.143 0 40 IKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1 2887645 GCYFGDUQDGUVSQ-UHFFFAOYSA-N 442.371 6.245 0 40 IKAB CCCCN(C)C(=O)CSc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1 2933061 ZDAASZRJHVYLSQ-UHFFFAOYSA-N 428.989 5.246 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(c3ccccc3)C(C)C)nnc2-c2cccs2)cc1 3223829 RUVJDWHBPVNRQS-UHFFFAOYSA-N 448.617 5.838 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 4082224 MCSMMGJCXCBSKD-XCHVDQMNSA-N 426.729 8.313 0 40 IKAB biogenic,in-vitro CC[C@H]1CN(C(=O)c2ccnc(Cl)c2)CC[C@H]1CC(=O)NCc1cccc2ccccc12 8299884 SAJGEZMKTZTWTL-ICSRJNTNSA-N 449.982 5.083 0 40 IKAB biogenic,in-vitro COc1ccccc1OCCCCn1c([C@H]2CC(=O)N(C(C)(C)C)C2)nc2ccccc21 8754643 YUFDPVUOASAKRI-IBGZPJMESA-N 435.568 5.019 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Br)cc2)n1CCc1ccccc1 8856707 DBPLXBLACOWYGV-NTCAYCPXSA-N 431.333 5.572 0 40 IKAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nc(-c2ccccc2)c1-c1ccccc1 8857044 HRPDJSBOCGQWOK-UHFFFAOYSA-N 425.384 7.353 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)CSc3ccc(Cl)cc3)sc2c1 8903203 SIMRPCRFLZABOK-UHFFFAOYSA-N 434.970 5.637 0 40 IKAB Cc1nc(-c2ccc(CCNC(=O)c3cc(Br)ccc3Cl)s2)cs1 9112140 VBZNHSPODWEBPR-UHFFFAOYSA-N 441.803 5.568 0 40 IKAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c(-c2ccccc2)[nH]c2ccccc12)N1CCCC1 9289552 MWIFRWVVZXFJLL-HHHXNRCGSA-N 435.527 5.003 0 40 IKAB Cc1cccc(NC2=C[C@H](c3ccc4c5c(cccc35)CC4)N(c3cccc(C)c3)C2=O)c1 9290911 NTFPIBPIHRNKIV-MUUNZHRXSA-N 430.551 6.639 0 40 IKAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 9459696 YBVSATGNIQFNFA-UGSOOPFHSA-N 440.396 6.053 0 40 IKAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1oc2ccccc2c1NC(=O)C1CCCCC1 9518354 VJYCVPQDGUHUMS-UHFFFAOYSA-N 446.425 6.103 0 40 IKAB O=C(COc1ccc(NC(=O)c2ccccc2)cc1)NC(c1ccccc1)c1ccccc1 9544733 BRLIYESZIRCGNL-UHFFFAOYSA-N 436.511 5.224 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n3nc(C)c(-c4ccc(Cl)cc4)c3n2)cc1OC 9668765 VCRFQJGUDHLUPY-UHFFFAOYSA-N 447.844 6.061 0 40 IKAB Cc1ccccc1CSc1nnc([C@@H](C)NC(=O)c2ccccc2)n1-c1ccccc1 9668978 PCUJFNOBCYHCSQ-LJQANCHMSA-N 428.561 5.359 0 40 IKAB C[C@H](Sc1nnc(-c2ccncc2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 9950449 YSJJVODPJBBMBO-KRWDZBQOSA-N 441.560 5.461 0 40 IKAB CCOc1ccc(NC(=O)CSc2nc3ccccc3n2CCc2ccccc2)cc1 12565716 WAGMVISSRRWAMH-UHFFFAOYSA-N 431.561 5.409 0 40 IKAB Cc1cc(C)c2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc2c1 12705639 TZSFTRCJVVOSOP-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cc(-c2ccccc2)nc2ccccc12 13098274 QDRMDLSKEVUATC-UHFFFAOYSA-N 441.874 5.962 0 40 IKAB O=Cc1ccccc1OCC(=O)N1N=C(c2ccc3ccccc3c2)C[C@@H]1c1ccccc1 13139387 NBOBGBQOWWSZBX-AREMUKBSSA-N 434.495 5.409 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)OCC)=C(CCC)Nc3nc4ccccc4n32)cc1 13634736 JNRGDUHTRCCVDK-XMMPIXPASA-N 433.552 5.847 0 40 IKAB Cc1ccc(N(CC(=O)Nc2ccc(C)c(Cl)c2)S(=O)(=O)c2ccccc2)c(C)c1 13942470 FTZOGZJJGWTBKE-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@@H]2CCCC[C@H]2C)c1 14075403 AKOCAXHHNBGBCQ-NVXWUHKLSA-N 446.041 6.695 0 40 IKAB O=C([C@@H](Sc1nnc(-c2ccccc2F)n1C1CC1)c1ccccc1)N1CCCCC1 14084404 UQDOPPVSOMZQFQ-NRFANRHFSA-N 436.556 5.265 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc2oc(-c3ccc(C)c(C)c3)nc2c1 14269725 PICBQPBRAQAQFI-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB COc1ccc(OCCCC(=O)NCCSCc2c(Cl)cccc2Cl)cc1 14398336 KRLPYZFIVAPQAS-UHFFFAOYSA-N 428.381 5.211 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccccc1OCc1ccc(F)cc1 14802569 FRHWDSBBGDXBIN-UHFFFAOYSA-N 438.886 5.437 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(Cl)cc2)oc2ccccc12)c1cc(-c2cccs2)on1 15833059 QGNTYWJSZIOGRJ-UHFFFAOYSA-N 448.887 6.286 0 40 IKAB Cc1ccc(CSc2ncc(Sc3ccccc3)c(C(=O)Nc3ccncc3)n2)cc1 15835369 CTMCIJPKZPYGBQ-UHFFFAOYSA-N 444.585 5.876 0 40 IKAB Clc1ccccc1COc1ccccc1CNc1ccc2oc(-c3ccccc3)nc2c1 16493492 ZITLRTJTIYHUGZ-UHFFFAOYSA-N 440.930 7.339 0 40 IKAB CC(=O)N(c1nc(COC(=O)c2c(C)oc(C)c2C)cs1)c1c(C)cc(C)cc1C 16542134 KIKGBRUINVOSFK-UHFFFAOYSA-N 426.538 5.628 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3c(C)cccc3C)CC2=O)c1 16902552 FKRDAJMCVZUYKZ-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB CCOc1ccc2ccccc2c1[C@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 17085910 JABBVOCCRBNMAF-MWTRTKDXSA-N 434.605 6.305 0 40 IKAB Cc1sc(-n2nc(-c3ccc(F)cc3)cc2-c2ccc(F)cc2)nc1-c1ccccc1 17096481 CCRHUOAONAVQGQ-UHFFFAOYSA-N 429.495 6.916 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cc4ccncc4)cc3)c3ccccc3n2)cc1 17096548 SVOPKJAQHQMRIO-UHFFFAOYSA-N 429.523 6.448 0 40 IKAB Cc1ccc(-c2csc3ncnc(N[C@H](c4ccc(F)cc4)c4nccn4C)c23)cc1 17590375 FVAOIOCDJIRXLK-OAQYLSRUSA-N 429.524 5.741 0 40 IKAB Cc1cccc([C@@H]2CN(CC(c3ccccc3)c3ccccc3)C[C@]23CCCCC(=O)N3)n1 19236376 MBPBDUXSTNNHNG-LITSAYRRSA-N 439.603 5.050 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 19638874 GXCJZMUYPSCXJY-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB COc1ccccc1[C@@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(=O)/C=C/c1ccc(C(C)C)cc1 20352918 FPVFEIBTNZKHAV-RARYKJBKSA-N 433.592 5.727 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cccc4c(Cl)cccc34)sc2c1 20411479 VHOYZVLRTDYLIG-UHFFFAOYSA-N 438.936 6.312 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1)c1ccccc1 20483029 ZKHMRXSEQKOGJS-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB CCOc1ccccc1-c1cc(C(=O)O)c2c(-c3ccc(Br)cc3)[nH]nc2n1 20492211 XAIWDOUVOHWHBZ-UHFFFAOYSA-N 438.281 5.151 0 40 IKAB Cc1ccc(C(=O)Nc2c(C(=O)NCCc3ccc(Cl)cc3)[nH]c3ccccc23)cc1 21658273 TWTXSWXEBKMVFY-UHFFFAOYSA-N 431.923 5.355 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)COc3cc(C)cc(C)c3)n2)cc1 22460634 QKWAAKIZFGBDRX-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 23613014 UIFOQCVXCRMRCE-UHFFFAOYSA-N 437.634 5.138 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl 23686022 FGYLWKKTRRMJRR-HNNXBMFYSA-N 427.118 5.610 0 40 IKAB COc1ccc(NC(=O)N(Cc2nnc3n2CCCCC3)c2cccc(Cl)c2C)cc1 27526632 QLQAYLFSGDGKEJ-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB COc1ccccc1-n1c(SCC(=O)Nc2ccccc2C)nnc1-c1ccc(C)cc1 28247857 WHHBGWJJTKYUEN-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB COCCn1c(C)c(C)c(-c2nc3ccccc3s2)c1NC(=O)c1cccc(OC)c1 32094175 WCXNNYKKURWYED-UHFFFAOYSA-N 435.549 5.289 0 40 IKAB Cc1ccc(CSc2nnc([C@H](NC(=O)c3ccccc3Cl)C(C)C)n2C)cc1 33403973 LZNXQKDRPBTFRK-LJQANCHMSA-N 428.989 5.196 0 40 IKAB COC(=O)c1cc(Br)c(OCc2ccccc2Cl)c(Br)c1 44199911 LBVROFBGYQGSQU-UHFFFAOYSA-N 434.511 5.231 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)c2ccc(CSc3ccc(C)cc3)cc2)cc1 44843803 UNKKOUJWLOGGMI-SANMLTNESA-N 433.617 6.813 0 40 IKAB O=C(NCc1ccc(-c2ccccc2F)o1)c1ccc(OCc2ccc(Cl)cc2)cc1 46085992 WIOZVANECVGBQU-UHFFFAOYSA-N 435.882 6.248 0 40 IKAB CSc1cccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)c1 64950145 PKHALFNOHLMUSV-UHFFFAOYSA-N 446.919 5.478 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72214958 AZRBCFLWSHBSME-UHFFFAOYSA-N 435.565 5.109 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C(=O)OC(C)(C)C)cn1 72215167 OEQHMZAPEUFVEV-IEBWSBKVSA-N 433.593 6.084 0 40 IKAB Cc1cc(C)n(-c2nc3ccc(NC(=O)c4ccccc4Br)cc3s2)n1 72229759 HATJZPHNYDAHMU-UHFFFAOYSA-N 427.327 5.114 0 40 IKAB C[C@@H](Oc1ccc(Cl)c(COC(=O)c2nc(Cl)ccc2Cl)n1)c1ccccc1 72300971 MHUNDSZRNIZIGN-GFCCVEGCSA-N 437.710 5.934 0 40 IKAB C[C@H](c1nnc(SCCSc2ccc(F)cc2)n1-c1ccc(Cl)cc1)N(C)C 95469636 NZVMJIXHLKSFIV-CQSZACIVSA-N 437.009 5.567 0 40 IKAB CC1=CC(C)(C)N2C(=O)C3(c4cccc1c42)N(Cc1ccccc1)CCN3Cc1ccccc1 96305606 QKAYWWFVARMCHA-UHFFFAOYSA-N 449.598 5.400 0 40 IKAB O=C1c2nn(-c3ccccc3)c(-c3ccco3)c2[C@@H](c2cccc(O)c2)N1c1nccs1 96336165 MBLKOKHCWKWHFK-OAQYLSRUSA-N 440.484 5.044 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc3nc(-c4ccc(C(C)(C)C)cc4)oc3c2)cc1 98086917 IBSUEBBKLJTRAS-UHFFFAOYSA-N 443.572 6.228 0 40 IKAB CC(C)(C)c1cc(CC(C(=O)c2ccccc2)C(=O)c2ccccc2)cc(C(C)(C)C)c1O 100040097 CZLRVLVRXRTHSZ-UHFFFAOYSA-N 442.599 6.912 0 40 IKAB Cc1ccc(C(=O)[C@@H]2C(=O)N(c3ccc(C)c(C)c3)C(=O)N[C@H]2c2ccccc2F)cc1 102429804 VMKHXZYXIDXLPX-PKTZIBPZSA-N 430.479 5.048 0 40 IKAB C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@@H]3[C@H]1CC[C@@H]2O 105151550 UTXNYGUZJLLOSP-KQJBXSHSSA-N 430.180 5.134 0 40 IKAB biogenic,in-vitro CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccc(Br)cc3)C2=O)cc1 106723792 LUCUKSSUHWJQET-ODLFYWEKSA-N 446.366 5.720 0 40 IKAB COC(=O)CC[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 122618397 XHQVLSIVZIPGLE-SFFIKTBLSA-N 446.628 5.345 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 222756504 DQHJFUCAHXPYCJ-OAQYLSRUSA-N 435.395 5.258 0 40 IKAB Cc1cc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1Cl 222845026 SOSACDURFIGANP-OAQYLSRUSA-N 448.994 5.350 0 40 IKAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)NCc1ccccc1 223079187 VLFVDMPRJGFHHU-AREMUKBSSA-N 442.559 5.292 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2ccc(Cl)cc2Cl)cc1C(C)C 223323143 VDAURLJOSKIULD-AWEZNQCLSA-N 430.397 5.614 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)CCCOc1ccccc1 223344821 XLYTUDYWALMTER-QFIPXVFZSA-N 445.003 5.221 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccccc1Cl 223442834 RHSFCYOOZOIUDG-OAQYLSRUSA-N 432.967 5.134 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCSCc1ccccc1 223644186 IEPDDCRPVWTKBD-DEOSSOPVSA-N 440.653 5.342 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1Cl 224157938 SVTZLIQIAAAOBN-XZOQPEGZSA-N 448.954 5.842 0 40 IKAB COc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(C)cc2)c1 224211888 KYYQASDTUYSVTN-JWQCQUIFSA-N 440.572 5.366 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(O)cc2)c1 224244596 YYPQHAXGAQOQOE-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB CC(C)c1ccc(CCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCC2)cc1 224697051 YKTMKUWEECINGS-HXUWFJFHSA-N 438.587 5.358 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224911114 OLIOCVSHEDGABP-UHFFFAOYSA-N 428.444 5.056 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1cc(Br)ccc1Cl 225068671 SFSWBGILKBUYSO-UHFFFAOYSA-N 432.770 6.647 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)N[C@@H](C)CC)cc1 225163384 ZNXICJZPLVCOIK-RBUKOAKNSA-N 429.004 5.167 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCCOc1ccc(C)cc1 225214588 DVIXKFCFOLGKRS-HSZRJFAPSA-N 445.003 5.141 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 225329110 MCKKNYCNMVFSAB-NRFANRHFSA-N 435.395 5.178 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 225551190 RUQHJMNNMVWDNE-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CC(C)c1ccc(-c2noc(CCC(=O)Nc3ccc(Oc4ccccc4)cc3)n2)cc1 225836246 WRFHDWONXGATBM-UHFFFAOYSA-N 427.504 6.224 0 40 IKAB COc1ccc(-c2ccc(C(=O)Nc3c(C)cc(N)cc3Br)o2)cc1Cl 226756320 WGIZXJVSIFYMKV-UHFFFAOYSA-N 435.705 5.514 0 40 IKAB CCOc1ccccc1-c1cc(-c2ccc(C(=O)O)cc2)nn1Cc1ccccc1OC 257236557 HCSIZXMCCRHWFQ-UHFFFAOYSA-N 428.488 5.371 0 40 IKAB COc1cc(COc2ccc(Br)cc2CO)ccc1OCc1ccccc1 408540657 UYLSRDYLHDCWST-UHFFFAOYSA-N 429.310 5.108 0 40 IKAB CSc1nc(N2CCCCC2)c2cc(C(=O)Nc3ccc(C(C)C)cc3)sc2n1 408618305 GAFUTLDULKDNOL-UHFFFAOYSA-N 426.611 5.779 0 40 IKAB CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(SC)cc3)cc2)cc1 408700764 LLADTTWOMGIXGG-UHFFFAOYSA-N 440.590 5.048 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)c1 408906736 DLCVCPGEKDROFH-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CC(C)N1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)c(Cl)c3)c3ccccc23)C1=O 409018660 OAJBFAVJPXWFPS-KEBDBYFISA-N 445.371 6.441 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2C)cc(I)c1OC 409113750 FHPBDOWQKSBAAX-UHFFFAOYSA-N 431.701 5.272 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(CC(=O)Nc2ccc(C)c(C)c2)C1=O 409164554 KDLIDGKVROKGPU-LPYMAVHISA-N 446.528 5.140 0 40 IKAB CCCCNC(=O)c1ccc2c(c1)CN(CCC(C)C)CCCCCCCN2C(C)=O 643573122 LXNYGCAKNKOWPE-UHFFFAOYSA-N 429.649 5.382 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CCc1ccccc1 643582033 IYQXWCWFIZVDJJ-SANMLTNESA-N 442.603 6.067 0 40 IKAB Cc1ccccc1CN1CCCCCCCN(C(=O)C(C)C)c2ccc(C(=O)O)cc2C1 643583040 IREGPTKTMVFYIN-UHFFFAOYSA-N 436.596 5.649 0 40 IKAB O=C(O)c1ccc(-c2ccc(-c3ccc(-c4cc(C(=O)O)cc(C(=O)O)c4)cc3)cc2)cc1 2049305451 MQRRKKMHEJISCG-UHFFFAOYSA-N 438.435 5.782 0 40 IKAB Cc1cc(C)n(C(=O)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2N)n1 643076 ORQLIWVYVVGRTL-UHFFFAOYSA-N 430.558 5.776 0 40 IKAB Cc1nc(SCC(=O)c2ccc3c(c2)OCCO3)c2cc(-c3ccccc3)sc2n1 752965 KCHHXIOBIDUCEY-UHFFFAOYSA-N 434.542 5.413 0 40 IKAB CCOC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1CC(=O)Nc1ccc(C)cc1C 1353641 AVYFSIMXJWTDRX-UHFFFAOYSA-N 433.483 5.003 0 40 IKAB COc1ccccc1[C@@H](Nc1ccccn1)c1c(NC(=O)c2ccccc2)sc(C)c1C 1890819 QROROYNIVPKIJI-XMMPIXPASA-N 443.572 6.222 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2cc(C)cc(C)c2C)cc1 2375744 WJAQZOWXNAMMKC-UHFFFAOYSA-N 442.559 5.857 0 40 IKAB Cc1[nH]c2ccccc2c1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2382522 MMPTVKMTZAMBFI-VWLOTQADSA-N 440.499 5.011 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2cccc(Cl)c2)N1Cc1ccco1 2439375 MAYAORKXJRWIJU-LJQANCHMSA-N 426.255 5.438 0 40 IKAB COc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1 2693538 WFSWQRBTOBDESN-UHFFFAOYSA-N 445.540 5.232 0 40 IKAB O=C(O[C@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccncc1 3250070 VBEBAEUVJUOYFM-SFHVURJKSA-N 434.801 5.291 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 3284068 RBPNOCXIIDZFFT-UHFFFAOYSA-N 428.410 5.284 0 40 IKAB CCOc1ccc(-n2c(N)c(-c3nc4ccccc4s3)c3c(c2=S)CCCC3)cc1 3335069 VXKJLZFKPMQTLJ-UHFFFAOYSA-N 433.602 6.343 0 40 IKAB CCCCCCn1nc(C(=O)Nc2ccc(Br)c(C)c2)c2ccccc2c1=O 3395547 MTFDVTFFXWRVGQ-UHFFFAOYSA-N 442.357 5.300 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]2C1)[C@@]1(C)CC[C@H](O)C(C)(C)[C@@H]1CC4 4083903 MCSMMGJCXCBSKD-OHVZWJMZSA-N 426.729 8.313 0 40 IKAB in-vitro Cc1cc(C)c2cc(CN(C(=S)NCCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6301263 ODRZJQRNBIDPIV-UHFFFAOYSA-N 447.648 5.397 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccncc1)N(C(C)=O)c1ccccc1-2 8453047 GMEIPBILFXFVSQ-JOCHJYFZSA-N 435.553 5.050 0 40 IKAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 8480738 AEXGPJORHBNABO-HSZRJFAPSA-N 428.576 5.005 0 40 IKAB Cc1cc(Cl)ccc1-n1nc(C)c([C@@H]2C=C[C@@H](NC(=O)c3ccc(N(C)C)cc3)C2)c1C 8636127 UZCPYPWNSMNQRR-IFMALSPDSA-N 448.998 5.359 0 40 IKAB biogenic,in-vitro CCc1ccc(C(=O)Cn2c(Br)nc(-c3ccccc3)c2-c2ccccc2)cc1 8738233 FODJXVJXDUJHKZ-UHFFFAOYSA-N 445.360 6.425 0 40 IKAB CCCCN1C(SCc2ccc(Br)cc2)=NS(=O)(=O)c2ccccc21 8757112 WQNWMCRYZZKAFT-UHFFFAOYSA-N 439.400 5.047 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=S)NC(=O)c4ccc(Cl)cc4)cc3n2)cc1 8831188 SPCUUFWHEYVRCP-UHFFFAOYSA-N 449.967 5.072 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccccc2Cl)c2ccc(Cl)cc21)c1cccs1 8923583 XZBMQZXYDJFIBZ-NRFANRHFSA-N 432.328 5.062 0 40 IKAB Cc1c(CCC(=O)NCCc2ccccc2F)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9199072 YGCDSMIOCSXBIM-UHFFFAOYSA-N 449.522 5.576 0 40 IKAB COc1ccc(NC(=O)Nc2nnc(SCc3ccccc3Cl)s2)cc1OC 9324889 YNHXCIQKRQQFIA-UHFFFAOYSA-N 436.946 5.145 0 40 IKAB O=C(/C=C/c1ccccc1)Nc1c(C(=O)Nc2ccc(F)c(Cl)c2)oc2ccccc12 9518379 PWOALERBQCOHNS-JLHYYAGUSA-N 434.854 6.130 0 40 IKAB CCN(CC)c1ccc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)c(C)c1 9573637 LORYRWFEAPOFKN-UHFFFAOYSA-N 437.569 5.123 0 40 IKAB O=C(Nc1cnn(Cc2ccc(F)cc2)c1)c1cc(-c2ccc(Cl)c(Cl)c2)on1 9597897 ONCSRMUHBMHOEM-UHFFFAOYSA-N 431.254 5.285 0 40 IKAB Cc1nnc(S[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1Cc1ccccc1 9602880 WLGOJMXGQVDLJT-JOCHJYFZSA-N 432.524 5.246 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c1C 9846581 NFDPCDBYZDCUGG-HZMBPMFUSA-N 443.594 5.434 0 40 IKAB Cc1ccc(-c2nc(COC(=O)c3nnn(-c4ccc(C)c(Cl)c4)c3C)c(C)o2)cc1 12415587 JEHPFEOTFZVGOC-UHFFFAOYSA-N 436.899 5.166 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3cc(Cl)c(Cl)cc3Cl)[nH]c2c1 12529544 YQPBQFDWQQDSKL-UHFFFAOYSA-N 430.744 5.653 0 40 IKAB Cc1ccc([C@@H](NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c2ccccc2)cc1 12599223 HHWVWWYHWVTUBM-QFIPXVFZSA-N 441.547 5.555 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=O)Nc3cccc(Cl)c3)C3CCCCC3)cc12 12706038 SUGLOCLYWOIXBK-UHFFFAOYSA-N 437.971 6.165 0 40 IKAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc32)cc1 12875793 CUOJDOPUZLGPHA-UHFFFAOYSA-N 442.559 6.075 0 40 IKAB COc1ccc(-c2nc(SCc3cc(C)ccc3C)c3c4c(sc3n2)CCCC4)cc1 12881815 ZRSXRFFFTXJEMG-UHFFFAOYSA-N 446.641 7.155 0 40 IKAB O=C(O)c1sc2cccc(F)c2c1CSc1nnc(NCc2ccc(F)cc2)s1 12916173 BNMYRHMUJXPMCB-UHFFFAOYSA-N 449.529 5.634 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)c1 13025924 IUVIGXVUZZZBJB-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB Cc1cccc2cc([C@@H]3CC(c4cccs4)=NN3C(=O)c3ccccc3F)c(Cl)nc12 13027678 IUKUDVSOQKQCQL-FQEVSTJZSA-N 449.938 6.389 0 40 IKAB CSc1cccc(NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)c1 13893741 RGDVAXLIEUCWQH-XMMPIXPASA-N 434.586 5.435 0 40 IKAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)c2ccccc2C)c(O)c1 13955061 JVONFQQUPHYMOX-INIZCTEOSA-N 438.911 5.321 0 40 IKAB CCCCC[C@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 13955538 LJBYWYWIOGJJHK-HFJWLAOPSA-N 431.580 5.497 0 40 IKAB O=C(/C=C/c1cccc(C(F)(F)F)c1)Nc1cccc(-c2nnc3n2CCCCC3)c1 15379757 PJMDUVRXYYINNF-VAWYXSNFSA-N 426.442 5.342 0 40 IKAB COc1cc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C)C4)N2)ccc1OCc1ccccc1 15947667 SUSJHEJVLLRLIP-CMJOXMDJSA-N 434.561 5.889 0 40 IKAB Cc1noc2nc(C3CCN(C(=O)CCc4ccccc4F)CC3)cc(C(F)(F)F)c12 19564700 DAIXMBYSGSEGOI-UHFFFAOYSA-N 435.421 5.028 0 40 IKAB CC[C@H](NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1)C12CC3CC(CC(C3)C1)C2 19635211 MKUUXNLYKDNHST-HBRISMIWSA-N 442.003 5.606 0 40 IKAB COc1ccc(-c2nn(Cc3ccccc3)c(-c3ccc(OC)cc3)c2Br)cc1 19648629 LCDGBJUXMHYMBP-UHFFFAOYSA-N 449.348 6.045 0 40 IKAB O=C(Nc1ccc2nc(SCc3ccccc3)sc2c1)[C@H]1CCCC[C@H]1C(=O)O 19890731 YTQDVJBQFPFPJM-DLBZAZTESA-N 426.563 5.418 0 40 IKAB C[C@H](NC(=O)c1ccc(CN2CCCc3ccccc32)cc1)c1ccc(C(C)(C)C)cc1 20045377 KREODROSEFSISG-NRFANRHFSA-N 426.604 6.428 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3ccc(OCCSc4ccccc4)cc3)CC2)c1C 20107824 LLUVFQULOWESLF-UHFFFAOYSA-N 446.616 5.437 0 40 IKAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)c1 20796075 DJSNJMXUFABEDP-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB COc1cccc(-c2nc(C(=O)Nc3ccc(Br)c(C)c3)cs2)c1OC 23074564 LBSMLYIAVUBVDB-UHFFFAOYSA-N 433.327 5.151 0 40 IKAB COC(=O)c1cccc(CS[C@@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)c1 29374339 WONJZOOTHMYFLU-LBPRGKRZSA-N 426.519 5.026 0 40 IKAB COc1ccc(-c2nnc(C[C@@H]3C[C@@H](C(C)C)[C@H](CNCc4ccco4)C=C3C)o2)cc1 30883217 JICNTMDAVDWGCT-HFMPRLQTSA-N 435.568 5.525 0 40 IKAB biogenic,in-vitro Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C(C)C)cc4)ccc3o2)cc1C 32116606 IZYDNSJDYPFQIN-UHFFFAOYSA-N 443.572 6.362 0 40 IKAB Cc1ccc([C@@H]2CCCN2C(=O)[C@H]2CCCN(C(=O)c3cccc4ccccc34)C2)cc1 32754126 OCLLONJAWHHPGH-OZXSUGGESA-N 426.560 5.364 0 40 IKAB FC(F)(F)c1ccc(-c2noc(CSc3ccc(-c4ccc(Cl)cc4)nn3)n2)cc1 33021965 AYNNSVWJDRJVOC-UHFFFAOYSA-N 448.857 6.158 0 40 IKAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 44884800 LJLAGEMFHOLUCI-GOSISDBHSA-N 432.413 6.053 0 40 IKAB Cc1nn(-c2ccc(Nc3ccc(NC(=O)c4c[nH]c5ccccc45)cc3)nn2)c(C)c1C 48985193 ZDBCNYPSCWFEDO-UHFFFAOYSA-N 437.507 5.065 0 40 IKAB COc1ccc(Cl)c(NC(=O)CSC2=NC3(CCCCC3)Nc3ccccc32)c1 67341485 ICEZBISBTGCBMG-UHFFFAOYSA-N 429.973 5.553 0 40 IKAB CC(C)c1ccc(Sc2ccc([C@@H](C)N(C)C(=O)[C@H](C)S(C)(=O)=O)cc2F)cc1 72285148 ZEMVITPHVBFUKN-CVEARBPZSA-N 437.602 5.053 0 40 IKAB CCCCCOc1cccc(C(=O)/N=c2\sc3cc(C)ccc3n2CCOCC)c1 100873279 UQBWUIVGRYLFJO-IZHYLOQSSA-N 426.582 5.358 0 40 IKAB CC[C@H](C(=O)Nc1ccc(C(C)C)cc1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O 220683056 UGIKNZIHWSQVKC-GOSISDBHSA-N 443.396 5.300 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 222592491 UMPGWLHZQCKWLQ-JOCHJYFZSA-N 447.044 5.295 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cc(-c2ccccc2)nc2ccccc12 222627125 SJYMWSILYMDYPI-UHFFFAOYSA-N 426.825 6.826 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CC(c1ccccc1)c1ccccc1 223877421 DDRGUMNMKNMGGV-NRFANRHFSA-N 446.566 5.291 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccs2)ccc1NC(=O)C(C)C 224078152 KGNXXPTXHMFSKA-NHCUHLMSSA-N 436.606 5.223 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)c1 224311245 MDWGCGWUIJFIGG-DQEYMECFSA-N 442.563 5.805 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1-c1nccs1 224423252 UVURWDIITLLDRZ-SFTDATJTSA-N 449.580 5.262 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccn(C3CCCCC3)c2)N1c1ccc(Cl)cc1 224480406 FLHQDDMRMRMZCU-DHIUTWEWSA-N 437.012 6.219 0 40 IKAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1 224598493 IQUGWKSXBXSYEN-UHFFFAOYSA-N 439.621 5.768 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 224768457 HMENTLLQUICMKH-VWLOTQADSA-N 440.603 5.461 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccc(Cl)cc1 224813566 NSEFGLPXXQWOAN-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccc(C)cc1 225135469 NWMOKCRDLIZQPU-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CCOC(=O)c1cc(NC(=S)NCCSCc2cccc(Cl)c2)ccc1Cl 225300460 RBTWVXHUIHNIQT-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CCCCc1ccc(NC(=O)CCc2nc(-c3ccc(Br)cc3)no2)cc1 225820787 BWXIMFPVWCWBFA-UHFFFAOYSA-N 428.330 5.413 0 40 IKAB FC(F)(F)[C@H]1C[C@@H](c2cccs2)Nc2cc([C@H]3CCCN3[C@H]3CCSC3)nn21 257294438 QUDLRRSRMZPSRT-MKVSYHDVSA-N 428.549 5.247 0 40 IKAB CCc1s/c(=N\C(=O)C(c2ccccc2)c2ccccc2)n(CC)c1-c1ccccc1 408560076 BUIBOQIYLMULAO-DQSJHHFOSA-N 426.585 6.058 0 40 IKAB COc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)cc1 408648421 WKBUPHJCWCZRAN-INIZCTEOSA-N 436.895 5.133 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)CCCC(=O)OCC(=O)Nc3ccccc3)cc2)cc1 408663985 IJEJIQIKJZZXKA-UHFFFAOYSA-N 446.503 5.078 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3cc(Cl)ccc3Cl)C(=O)[C@@H]2C1 408682637 KZJGZDSFVJVGMO-GDBMZVCRSA-N 429.303 5.091 0 40 IKAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3)nn2-c2ccc(Cl)c(Cl)c2)cc1 408692353 KPCBHHYNQUJIQI-UHFFFAOYSA-N 437.330 5.480 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cc(C)ccc3C)n2)c(C)c1 408694833 MQROMQGFHLIBNT-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccccc3F)C2=O)cc1Cl 409009810 IHBREKGSNMXIBA-NDENLUEZSA-N 426.900 5.815 0 40 IKAB O=C(OCC(=O)c1cccs1)c1ccc(COc2ccc(Br)cc2)cc1 409179351 QPPGIPAMIMMPKM-UHFFFAOYSA-N 431.307 5.129 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@H]3C[C@@H](CN4CCCC[C@H]34)[C@@H]21 583652751 QDTHBJRRNHWFTN-DOQQYFFYSA-N 443.591 5.906 0 40 IKAB biogenic COc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 679844 QBLBZFRIJURURG-UHFFFAOYSA-N 437.293 5.196 0 40 IKAB Cc1ccc(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)Oc2ccccc2)cc1Cl 871698 WTXNHOHCHMBQIA-QHCPKHFHSA-N 447.922 5.468 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)/C(Br)=C/c3ccccc3)n2)cc1 955784 WOSODYUWKXOPNY-ATVHPVEESA-N 429.339 5.583 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2F)N2CCC(C)CC2)c1C 1890833 WMGSWHTYFOEPSF-XMMPIXPASA-N 436.596 6.578 0 40 IKAB COc1ccc(NCc2cc(Br)c(OCc3ccc(C)cc3)c(OC)c2)cc1 2093878 LFMDYUDPIGOEOH-UHFFFAOYSA-N 442.353 5.966 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2c[nH]c3ccccc23)N1c1cccc(C)c1 2137778 WSCQYIQYUZIYBO-VWLOTQADSA-N 428.923 6.058 0 40 IKAB CCCc1nc2sc3c(NCCc4ccc(OC)c(OC)c4)ncnc3c2c2c1CCC2 2422886 KXXUMUWGRTWPIB-UHFFFAOYSA-N 448.592 5.353 0 40 IKAB CC(C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2c(Cl)cccc2Cl)o1 2427781 YRJSSEWHYUFVCK-AWEZNQCLSA-N 432.373 5.891 0 40 IKAB C[C@H](OC(=O)Cc1coc2ccc3ccccc3c12)C(=O)Nc1ncc(Cl)cc1Cl 2654961 BGUAHOVYTOIYAQ-LBPRGKRZSA-N 443.286 5.401 0 40 IKAB O=C(O)c1ccc(O)c(/C=N/c2ccc3oc(-c4cccc(Cl)c4Cl)nc3c2)c1 3113822 PDHOLEBNKBHYCM-YSURURNPSA-N 427.243 5.956 0 40 IKAB Cc1ccccc1NC(=O)COC(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccs1 3293063 MCHYSKCHIDFUFT-BUHFOSPRSA-N 443.528 5.104 0 40 IKAB CC(=O)c1ccc(OCCCC(=O)N(C2=N[C@H](C)CS2)c2ccc(Cl)cc2)cc1 3327079 QDDFRQRQARXDDY-OAHLLOKOSA-N 430.957 5.226 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cc3ccccc3cc2O)c2ccccc21 3334830 CHYQMYKQELRICE-UHFFFAOYSA-N 435.479 5.744 0 40 IKAB COc1ccc(CSc2nnc(COc3ccccc3F)n2-c2ccccc2)cc1F 3421729 BLXAQMRXSSGFPE-UHFFFAOYSA-N 439.487 5.425 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)cc1 8846252 NZOKTCPPEGXKAW-XMMPIXPASA-N 440.499 5.031 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)Nc1cccc2ccccc12 8862341 JOJQPUSEFOZJGS-UHFFFAOYSA-N 432.549 5.927 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2c(OC)ccc4ccccc24)N3)C1 8919944 TVOSNIIORABCIE-QMHKHESXSA-N 434.605 6.880 0 40 IKAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)c1 8923058 PWEPCHYXMGDGST-AREMUKBSSA-N 433.935 5.007 0 40 IKAB CCOc1ccc(NCc2ccc(N3N=C(c4ccccc4)C[C@H]3c3ccccc3)cc2)cc1 9232570 OWCFUXKXGAWNHL-PMERELPUSA-N 447.582 7.053 0 40 IKAB COc1cc2c(cc1OC)CN(C(=O)/C(=C\c1ccccc1)c1ccc(Cl)cc1)CC2 9266892 BTECZHPEPHBDBB-UCQKPKSFSA-N 433.935 5.483 0 40 IKAB CCOc1ccc(NC(=S)N2CCn3cccc3[C@H]2c2ccc(Cl)cc2Cl)cc1 9391132 XLQOXHGAGMKDRA-OAQYLSRUSA-N 446.403 5.996 0 40 IKAB COc1ccc(NC(=O)CSc2cn(Cc3cc(C)ccc3C)c3ccccc23)cc1 9391757 PWUZUGJZGQQIHU-UHFFFAOYSA-N 430.573 6.046 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)sc2c1CCCC2 9425676 UPTFSSJRMKXPAB-UHFFFAOYSA-N 444.622 5.228 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCC(=O)NC34CC5CC(CC(C5)C3)C4)ccc21 9434392 IKSLLSSNHRQDER-UHFFFAOYSA-N 443.591 5.618 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)nc2ccccc21 9462367 KESVBGWDEVVRES-MRXNPFEDSA-N 436.606 5.164 0 40 IKAB Cc1ccc(C(C)C)cc1CN1C(=O)[C@](O)(CC(=O)c2ccc(Cl)cc2)c2ccccc21 9614500 SPMUVVVXHAEBRK-MHZLTWQESA-N 447.962 5.779 0 40 IKAB CCN(C(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1cccc2ccccc12 9711776 JPZCDHWSMHZVKZ-INIZCTEOSA-N 448.617 6.028 0 40 IKAB Cc1sc2nc(-c3cccs3)nc(Sc3nnc(C(F)(F)F)n3C)c2c1C 9912592 UKPQSYYDAAMQOL-UHFFFAOYSA-N 427.502 5.335 0 40 IKAB COc1ccc(-c2cc(NC(=O)CCc3cnn(-c4ccccc4)c3)ccc2OC)cc1 9951228 SXHFXTXJDLVWLL-UHFFFAOYSA-N 427.504 5.128 0 40 IKAB O=c1c2sc3ccccc3c2n(Cc2ccccc2F)c(=O)n1-c1cccc(Cl)c1 9959780 ODVOYVOSFVTYDP-UHFFFAOYSA-N 436.895 5.208 0 40 IKAB CCOc1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc(OCC)c1OCC 10109567 BSTBNCWEICTNKV-GOSISDBHSA-N 440.565 5.470 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120432 HZQIVJXPFYWXLR-IBGZPJMESA-N 428.532 6.219 0 40 IKAB CSc1ccc(CN(C)C(=O)Cc2csc3nc(-c4ccc(F)cc4)cn23)cc1 10237016 IZUOVDCIDSWYHT-UHFFFAOYSA-N 425.554 5.125 0 40 IKAB COc1ccc2sc(N(Cc3ccncc3)C(=O)Cc3ccc(SC)cc3)nc2c1 10254389 KRVFPVOHXYNYCQ-UHFFFAOYSA-N 435.574 5.198 0 40 IKAB O=C(NCCCn1c2ccccc2c2ccccc21)C1c2ccccc2Oc2ccccc21 12360287 QBXMVKIOKIGJEP-UHFFFAOYSA-N 432.523 6.239 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccco1)N(C(=O)Cc1cccs1)c1ccc(F)cc1 12476781 DFSROSTVPXOGGW-QHCPKHFHSA-N 440.540 5.246 0 40 IKAB Cc1ccccc1-n1c(S[C@@H](C)C(=O)N2CCCCC2)nnc1-c1c[nH]c2ccccc12 12527051 MXGLREGRJLWBPX-SFHVURJKSA-N 445.592 5.217 0 40 IKAB COC[C@H](C)n1c(-c2ccc(Cl)s2)cs/c1=N\c1ccc(OC(F)F)cc1 12648781 NONKBZPXRKORGX-UDJRCTOUSA-N 430.929 5.973 0 40 IKAB Cc1nn(-c2cccc(C(F)(F)F)c2)c(C)c1C(=O)C(=O)N(C)Cc1ccccc1Cl 12782845 ZREGHWOTUWFULR-UHFFFAOYSA-N 449.860 5.003 0 40 IKAB Cc1ccc(-c2csc3nnc(SCC(=O)Nc4ccc(N5CCCC5)cc4)n23)cc1 12878638 NVBWIUJMBJNTMF-UHFFFAOYSA-N 449.605 5.097 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(C)n2C2CC2)cs1)c1c(C)cc(C)cc1Cl 12907235 RTVPGHVFLGMFAG-UHFFFAOYSA-N 448.017 5.625 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 13113049 REQNZIJYUJRAOS-JTQLQIEISA-N 426.851 5.263 0 40 IKAB CCC[C@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1ccc(C(C)(C)C)cc1 13522583 YWZHGNCEADQRSG-VWLOTQADSA-N 439.603 6.653 0 40 IKAB COc1ccc(NC(=O)c2noc(C)c2COc2cccc(C(F)(F)F)c2)cc1Cl 13640948 XSNFAVGXRCOBJY-UHFFFAOYSA-N 440.805 5.495 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)c(C)c2)c1 13660480 RKPIHDJCXJFFGQ-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1[C@@H](C)Oc1ccccc1Cl 13870830 WEBJYUUCJCLJFL-OAHLLOKOSA-N 430.961 5.131 0 40 IKAB Clc1ccc(Cc2noc(COc3ccc(Br)cc3Cl)n2)c(Cl)c1 13880066 RBWVNSVGCUJKCY-UHFFFAOYSA-N 448.531 5.962 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C)cc2)c2ccccc21 13893347 CZDBTPOJTLCTRK-DFBJGRDBSA-N 434.561 5.077 0 40 IKAB O=C(Nc1ccccc1)c1nc(SCc2ccccc2)ncc1Sc1ccccc1 15835350 ICXFBKDWKWSUOA-UHFFFAOYSA-N 429.570 6.172 0 40 IKAB Cc1cc2nn(-c3cccc4ccccc34)nc2cc1NC(=O)/C=C/c1ccc(C(C)C)cc1 16284342 IONLKHLZTMJOCP-DTQAZKPQSA-N 446.554 6.657 0 40 IKAB CCOC(=O)/C(C#N)=C1/CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@]12C 17057695 VNWWMZKAASJVJP-LQHFKSNGSA-N 425.569 5.264 0 40 IKAB Cc1ccc(S(=O)(=O)Oc2ccc([C@@H]3O[C@@H]4CCCC[C@@H]4c4sccc43)cc2)cc1 17724519 OIHIHXHRQAFSFC-WWNPGLIZSA-N 440.586 5.970 0 40 IKAB CCN(CC)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2OC)c(C)c1 19631413 MSSRIXVJRNUJBU-UHFFFAOYSA-N 440.396 5.283 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1cccc(Br)c1 19639191 FGXQMUSGXOTCCQ-UHFFFAOYSA-N 443.753 6.632 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCCCC1)c1cc(-c2ccc3c(c2)CCCC3)on1 21805303 VBBYAWBVVXSQEZ-JOCHJYFZSA-N 435.593 5.239 0 40 IKAB COc1ccc(-c2cc(C(=O)O[C@@H](C)C(=O)c3ccccc3)c3ccccc3n2)cc1OC 23042623 SSBDUNDZECAIOL-KRWDZBQOSA-N 441.483 5.347 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1sc(-c2ccco2)nc1-c1ccccc1 24598463 VLTOAGKTMUKWMR-UHFFFAOYSA-N 445.544 5.398 0 40 IKAB COc1cccc([C@@H](Nc2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770911 NPKSETQPHDCGMP-RUZDIDTESA-N 442.584 6.827 0 40 IKAB COc1ccc([C@H](CNC(=O)COc2ccc(Cl)c(C)c2)c2c[nH]c3ccccc23)cc1 27746325 BMCZEVUAKQXAIU-QFIPXVFZSA-N 448.950 5.465 0 40 IKAB O=C(NCC(F)(F)F)c1ccc(CN(C(=O)c2cccc(Cl)c2Cl)C2CC2)cc1 29075921 CCPKCYICAUMAIW-UHFFFAOYSA-N 445.268 5.090 0 40 IKAB CS(=O)(=O)c1ccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)cc1 29478819 MVWHYDWGXJWZFO-UHFFFAOYSA-N 434.542 5.133 0 40 IKAB Cc1c(C(=O)N2CC[C@@H](C)Sc3ccccc32)nnn1-c1cccc(C(F)(F)F)c1 31895198 KNCVYVAVQRBVHR-CYBMUJFWSA-N 432.471 5.126 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2Cl)cc1OC 32115281 KJMSWKAFWOYVHV-UHFFFAOYSA-N 425.312 5.148 0 40 IKAB Cc1ccc(-c2csc3c(=O)n(C)c(SCC(=O)Nc4cc(C)ccc4C)nc23)cc1 33022357 KYPPRRYWJNGBJM-UHFFFAOYSA-N 449.601 5.318 0 40 IKAB COc1ccc(NC(=O)c2ccc(-n3nc(C(F)(F)F)c4c3CCCC4)cc2)c(OC)c1 33514654 FRXVOQDVJBQSKB-UHFFFAOYSA-N 445.441 5.039 0 40 IKAB COc1cc(C(=S)N2CCCCC2)c(Br)cc1OCc1ccc(C)cc1 33759625 VEDHOSPAMYOHIO-UHFFFAOYSA-N 434.399 5.507 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38849388 DNMHERDPYSCEKT-AWEZNQCLSA-N 427.759 5.506 0 40 IKAB Cc1ccc(NC(=O)c2c(NC(=O)c3cccnc3)sc3c2CC[C@@H](C(C)(C)C)C3)cc1 39389021 UCQVCXBZGLCJAX-GOSISDBHSA-N 447.604 6.107 0 40 IKAB COc1c(C)c2c(c(OC)c1C/C=C(\C)CCC(=O)NC1CCCCCCC1)C(=O)OC2 62001706 OISGBSMBSYUILH-SFQUDFHCSA-N 443.584 5.181 0 40 IKAB biogenic CCC1CCC(N(Cc2cc(=O)n3nc(C)sc3n2)[C@H](C)c2ccc(F)cc2)CC1 72275076 HCJUAUHSPDXKAC-FPPRHVDESA-N 428.577 5.131 0 40 IKAB O=C(CC1CCCC1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 72330446 OPUAYHSYFGHNBL-NLFFAJNJSA-N 427.539 5.010 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)c4cc(C5CC5)nn4C)C3)c(-c3ccncc3)c2c1 72396828 JUZQBBXYPIVNGX-HXUWFJFHSA-N 439.563 5.169 0 40 IKAB CCOc1cc([C@H]2C3=C(O)C[C@H](c4ccc(Cl)cc4)CC3=Nc3ncnn32)ccc1O 102675035 PYFVFXDWBJAACS-QRQCRPRQSA-N 436.899 5.101 0 40 IKAB Cc1cccc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c12 104104943 LUFXTUNHLSMPFE-UHFFFAOYSA-N 446.593 9.816 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccc(Br)cc4)C3=O)c[nH]c12 106725165 HSLSCTBERHLILD-ZDLGFXPLSA-N 441.350 5.729 0 40 IKAB CCc1ccc(NC(=O)CN(c2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 137664588 WYHRIUYDQHIFGC-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB O=C(N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1)C1(c2cccs2)CCCC1 207016071 JLGWUQOJCUTZGE-MRXNPFEDSA-N 427.595 5.153 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1nc(-c2ccc(Cl)cc2)no1 222941000 DIGFXEJFFHSDBW-LJQANCHMSA-N 427.932 5.161 0 40 IKAB COc1ccccc1-n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCCC1 223088455 FQFIJRPYBPTVJQ-RPWUZVMVSA-N 432.593 5.186 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223736109 FEJSPHVOAIFYMV-VWLOTQADSA-N 438.612 5.221 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@@H](C)c3ccccc3C)c(Cl)c2)cc1 224016697 NYEHSHVRYLQLSW-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccnc2)cc1C 224257529 KHIOKXBBEGKPAI-ZEQRLZLVSA-N 425.561 5.061 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)ccc1C 224317210 LSMJFQJLPYJKGG-XMMPIXPASA-N 441.015 5.366 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1CSc1ccc(C)cc1 224336509 MBLUVXDFKCFBNP-UHFFFAOYSA-N 442.378 6.311 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(SC)c2)cc1COc1ccccc1C(C)(C)C 224512679 SGNBEVOYORJFFN-UHFFFAOYSA-N 449.616 6.936 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)cc1 224576357 HMGRDHNVIMXSKN-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccccc2)o1 224580136 ADHTZQUXPOSZEV-ZEQRLZLVSA-N 427.529 5.527 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COCc1ccccc1 224747733 BPIJRCLNUJTJFZ-UHFFFAOYSA-N 430.331 6.361 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)ccc1F 224905423 MWWXBSOMWCNZEA-RPWUZVMVSA-N 434.584 6.013 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)c(C)c1 225369092 CKTRSJBZFSMMFW-UHFFFAOYSA-N 440.993 5.184 0 40 IKAB CCOc1ccccc1CCCNC(=S)Nc1ccc(Br)c(Cl)c1 225396735 AJJSHZUDIIIIPC-UHFFFAOYSA-N 427.795 5.420 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)ccc1OC1CCCC1 225530008 FGSCZADWCCCMRN-UHFFFAOYSA-N 432.391 7.074 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225554272 MPVNHMQTIVSFGG-QPPBQGQZSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225588345 ZLTJNWULSNEGNI-XMSQKQJNSA-N 447.044 5.544 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(C3(C(=O)N4CCCCC4)CC3)CC2)c2ccccc12 225926728 MSYJCPJYWLKAMW-UHFFFAOYSA-N 434.580 5.386 0 40 IKAB 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(C)CCc2ccccc2)C1 245240634 QXDFHJAYYMOLSW-BTYCNFINSA-N 436.680 7.600 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@@H](Cc3cccc4ncccc34)C2)cn1 257231934 GITXMLBEKDICGE-FQEVSTJZSA-N 438.531 5.220 0 40 IKAB COCCC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cccc(C(F)(F)F)c2)C1 257282460 OTVNQOMBMBXRBN-VWPQPMDRSA-N 439.449 5.349 0 40 IKAB Cc1ncsc1-c1ccc(C(=O)N2CCCC[C@H]2c2ncc(Cc3ccccc3)o2)cn1 257289108 PWZPCHDXPQXVIH-QFIPXVFZSA-N 444.560 5.460 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C 260934921 NLTIXJDTXBSUFV-FPOVZHCZSA-N 443.031 5.870 0 40 IKAB O=[S@@](Nc1cc(C(F)(F)F)ccc1C(F)(F)F)c1ccccc1Br 390822572 CYFQONPEXLWMDW-XMMPIXPASA-N 432.183 5.621 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)NC[C@H](O)c1ccc(-c2ccsc2)o1 390828698 BQOZKVMHORAVLG-INIZCTEOSA-N 428.897 5.088 0 40 IKAB CCn1c(S/C(=C\c2ccc(OC)cc2C)C(=O)O)nnc1-c1ccc(Cl)cc1 408631562 FPKZDYNURCCWJN-PDGQHHTCSA-N 429.929 5.153 0 40 IKAB O=C(O)/C(=C/c1cn(Cc2ccccc2F)c2ccccc12)Sc1nc2ccccc2o1 408631700 AQBBUNDJDKGICA-QRVIBDJDSA-N 444.487 6.188 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 408641188 LAEKWLDSTBUHIK-LLVKDONJSA-N 442.140 5.056 0 40 IKAB Cc1cccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2cccc(Cl)c2C)c1 408696432 BIRJTXYHDQDLQJ-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COc1cccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@@H]3C)C2=O)c1OC 408813794 OVRYUPCMNBFZND-RRDYPLETSA-N 437.585 5.758 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)Cc2ccccc2)c(Cl)c1Cl 409119832 TWDNTYFGISNVJY-UHFFFAOYSA-N 436.360 5.393 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/SC(=O)N(CC3CCCCC3)C2=O)cc1OC 409132051 OHNYWVHPVMRZTP-BXUJETTOSA-N 437.989 6.143 0 40 IKAB CC(C)Cn1cc(/C=C2\SC(=O)N(CCOc3ccc(F)cc3)C2=O)c2ccccc21 409137663 XTUWMSQMYZIUFR-XKZIYDEJSA-N 438.524 5.552 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3O)n2-c2ccccc2)c(C)c1 409380465 DXQZZNLBKGBYSO-UHFFFAOYSA-N 444.560 5.296 0 40 IKAB Cc1nc(NC(=O)c2ccc(Oc3ccc(C(F)(F)F)cn3)cc2)nc2c1CCCC2 670868000 FNIBOLRSHHKAMG-UHFFFAOYSA-N 428.414 5.122 0 40 IKAB CC(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccccc2)c1 868886 OTPXSKPXMSAZOA-UHFFFAOYSA-N 442.544 5.176 0 40 IKAB CC(C)C(=O)N1CCc2cc(-c3csc(NC(=O)c4ccc5ccccc5c4)n3)ccc21 1355544 KSPHTLIWMCCXGH-UHFFFAOYSA-N 441.556 5.761 0 40 IKAB Cc1cc(C)c2cc(CN(CCc3ccccc3)C(=O)c3ccncc3)c(Cl)nc2c1 1367742 NGQKEZIEWUECHQ-UHFFFAOYSA-N 429.951 5.785 0 40 IKAB Cc1c(Br)cc(C(=O)Nc2ccc(I)cc2)c(C)c1C 1462889 JSCUIBBVLBTRQY-UHFFFAOYSA-N 444.110 5.231 0 40 IKAB COc1cc(/C=C/C(=O)Nc2nnc(C3CCCCC3)s2)ccc1OCc1ccccc1 1904399 QIDHPPLPGJLXPU-FYWRMAATSA-N 449.576 5.825 0 40 IKAB CSc1nc(SCC(=O)Nc2ccccc2C)c2c3c(sc2n1)COC(C)(C)C3 2221243 RYVIIDBILGFFQH-UHFFFAOYSA-N 445.635 5.304 0 40 IKAB CCCCc1nc2sc3c(SCc4ccccc4Cl)ncnc3c2c2c1CCC2 2229116 UHMNKCXDZWMUQD-UHFFFAOYSA-N 440.037 7.017 0 40 IKAB Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCCC(C)C)nnc23)CCCC4)cc1 2272641 DBCGGEKDSAJCRY-UHFFFAOYSA-N 438.622 5.420 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccc(C)cc3)cc2O)cc1OC 2350903 NSFFWRVOFUAWGO-UHFFFAOYSA-N 443.503 5.003 0 40 IKAB biogenic Cc1onc(-c2c(Cl)cccc2Cl)c1COC(=O)c1cc(Cl)nc(Cl)c1 2581886 AAYJWMGLGQDAHZ-UHFFFAOYSA-N 432.090 6.016 0 40 IKAB CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)OC)CC[C@@H](c2ccccc2)C3)c1 2750865 QRICZAUITXCRTI-QGZVFWFLSA-N 435.545 5.458 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4cccc(Cl)c4C)cc3N2)cc1 3011328 HSTFIOVPTPGTFY-IEBWSBKVSA-N 448.876 6.066 0 40 IKAB CCN(CC)c1ccc(NC(=O)COC(=O)c2c3c(nc4ccccc24)CCCCC3)cc1 3347019 STRTWBKHTFHGAI-UHFFFAOYSA-N 445.563 5.145 0 40 IKAB CC(=O)Nc1ccc([C@@H]2Nc3ccc4ccccc4c3-c3c2c(=O)oc2ccccc32)cc1 3770978 CVCONDHAAFKXHA-MHZLTWQESA-N 432.479 6.087 0 40 IKAB CC(=O)C(C(=O)O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)(C(=O)c1ccccc1)C(=O)c1ccccc1 3846279 RGMXZJHDZJTGFP-WUMKDDEVSA-N 448.559 5.332 0 40 IKAB biogenic CCOc1cc(-c2ccc(N(C)C)cc2)c/c(=N\c2ccc(C)cc2)c2c(C)oc(C)c12 5796591 LDJZBLXQFWSTEP-XLVZBRSZSA-N 426.560 6.722 0 40 IKAB biogenic CCc1cccc2c(SCC(=O)Nc3cc(C)cc(C)c3)nc(-c3ccccc3)nc12 6860490 BTVPPSNANCZWHF-UHFFFAOYSA-N 427.573 6.207 0 40 IKAB Brc1cccc(-c2cnn3c(-c4ccccc4)cc(-c4ccccc4)nc23)c1 8590022 PUONRUDNJAWKNL-UHFFFAOYSA-N 426.317 6.493 0 40 IKAB aggregator CCCCCN1CC(=O)N2[C@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 8742441 KGDQUXCNFWNAFW-SHQCIBLASA-N 443.591 5.166 0 40 IKAB biogenic O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc2oc(-c3ccccc3F)nc2c1 8832131 OARRZJAGGGDTSX-UHFFFAOYSA-N 444.506 6.699 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(CSc2ccc(Cl)cc2)s1 8856700 WRJMRPWOMRBFLZ-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB CC(C)(C)c1cc(C(=S)N2CCN(c3ccccc3F)CC2)cc(C(C)(C)C)c1O 9187984 NGNODMVBVUNRBT-UHFFFAOYSA-N 428.617 5.624 0 40 IKAB Cc1ccnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)c1 9209593 DTKXPRHXFXKHLT-QFIPXVFZSA-N 430.891 5.516 0 40 IKAB Brc1ccc([C@@H]2[C@@H]3CCC/C(=C\c4ccco4)C3=NN2c2ccccc2)cc1 9356957 RZJCTHGSILXXSP-BMXIYFGQSA-N 433.349 6.843 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cc(C)ccc3[nH]c2=O)c2cc(C)ccc2C)c1 9374440 CDNXDCYGDKOOPL-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccc3ncsc3c2)c1)c1ccc2ncsc2c1 9391446 GSSRFXZQPNUEGI-UHFFFAOYSA-N 430.514 5.411 0 40 IKAB CCOc1ccc(-c2cc(OC(=O)c3oc4ccccc4c3C)cc3sc(=O)oc23)cc1 9430754 RPHUKEITEOXOCF-UHFFFAOYSA-N 446.480 6.194 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)CSc2ccccc2)c2c[nH]c3ccccc23)cc1 9594927 INVAZLCWARZBTK-QHCPKHFHSA-N 429.589 5.274 0 40 IKAB CCN(C(=O)Nc1ccc(C)c(C)c1)c1nc(-c2ccc(Br)cc2)cs1 9607049 IYPMQZHHPKXUIM-UHFFFAOYSA-N 430.371 6.248 0 40 IKAB Cc1cccc2sc(NC(=O)c3ccc(COc4cccc5c4OC(C)(C)C5)cc3)nc12 9659773 QPHFDDUYHLNXDQ-UHFFFAOYSA-N 444.556 6.150 0 40 IKAB COc1cccc([C@H](CNC(=O)c2cc(F)ccc2F)c2c[nH]c3ccccc23)c1OC 9669878 OUDHKZZHBAFICT-FQEVSTJZSA-N 436.458 5.025 0 40 IKAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCc2sccc2[C@@H]1c1cccs1 9683008 BJGMAXMXCJTKLC-ROUKRRSUSA-N 425.966 5.298 0 40 IKAB COc1ccc(Br)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120039 FVHOPVGCKXGXMY-UHFFFAOYSA-N 437.293 5.442 0 40 IKAB CCn1ncc2c(C(=O)Nc3cc(OC)c(Cl)cc3OC)cc(-c3ccccc3)nc21 10430842 BKPCBNBYUROUIS-UHFFFAOYSA-N 436.899 5.041 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4C)C3)nc3ccccc32)c1 12462861 ZVBMQEJKNSEWIX-OAQYLSRUSA-N 425.532 5.253 0 40 IKAB Cc1nc2ccccc2n1C1CCN(CC(=O)Nc2ccccc2Oc2ccccc2)CC1 12640090 RVTHBHMBSXOATL-UHFFFAOYSA-N 440.547 5.413 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1cc(Cl)ccc1Cl 12676758 ZPUMAMKUGCSORU-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB Cc1cc(SCC(=O)O[C@H](C)C(=O)c2ccc(OC(F)F)cc2)nc2ccccc12 13095476 SYPJGEHARICQOP-CQSZACIVSA-N 431.460 5.051 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(C)cc2)c2ccccc2)nnc1-c1ccoc1C 13116897 RCXLMSSNBKQHCA-OAQYLSRUSA-N 432.549 5.647 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc1 13118105 HLENGOXMRCTWPN-INIZCTEOSA-N 435.549 5.242 0 40 IKAB O=S(=O)(NC[C@@H](Nc1ccc(Cl)cc1)c1ccccc1)c1ccc(Cl)s1 13129423 ILMADWZAFQRUFL-MRXNPFEDSA-N 427.378 5.187 0 40 IKAB O=C(c1ccncc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@H]1c1ccc(F)cc1 13301237 SEHDOBWHDBZZQU-JNMDKLMCSA-N 429.470 5.797 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CCC(=O)c1ccc(Br)cc1 15094291 HXGMUVNPRRIFGT-CYBMUJFWSA-N 431.355 5.241 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)ccc3Cl)c2)c1 15412481 LMOGJPBAVFBZJC-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccc(NC(=S)N=[P@@](c2ccccc2)(N2CCOCC2)C(C)(C)C)cc1Cl 15905895 TVNYIDAVRMCLDM-NDEPHWFRSA-N 449.988 5.918 0 40 IKAB O=C(/C=C/c1cccs1)N(CCc1ccccc1)C1(C(=O)Nc2ccccc2)CCCC1 15980661 XNDDPMLXDFINIM-FOCLMDBBSA-N 444.600 5.784 0 40 IKAB Cc1cc(C)c(O)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(Cc2cccnc2)C3=O)c1 16806318 VCHCPUBJNITXQF-QHCPKHFHSA-N 444.922 5.193 0 40 IKAB Cc1ccc2nc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)sc2c1 17096673 SQLXNGXPASBDIF-UHFFFAOYSA-N 429.756 6.199 0 40 IKAB COc1ccc(N/C=C2/C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)c3ccccc32)cc1 18010263 QNBUFVXPVMZVIE-KGENOOAVSA-N 438.405 5.354 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)c(C)c1 22509310 GYRRLRDYMFHHPM-GOSISDBHSA-N 449.016 5.013 0 40 IKAB COC(=O)[C@@H](OC(=O)Cc1csc(-c2c(Cl)cccc2Cl)n1)c1ccccc1 23220873 AAAKYCNLLRCKCK-SFHVURJKSA-N 436.316 5.117 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 28539488 SBQCRYBLYKQASM-UHFFFAOYSA-N 443.550 7.087 0 40 IKAB COc1cc(NC(=O)c2nn(-c3ccccc3Cl)c3c2CCCC3)c(OC)cc1Cl 32682465 WBGCHIXPSFDAII-UHFFFAOYSA-N 446.334 5.327 0 40 IKAB Cc1cccc(/C=C(/C(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)c2cccs2)c1 32906910 DYCMBXVGVLISJB-OQKWZONESA-N 446.620 5.168 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 44937105 RSIAANWTGKPVES-XUZZJYLKSA-N 429.004 5.464 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2ccsc2c1=O 57426077 DISPCFOYDQKLBT-UHFFFAOYSA-N 439.965 5.027 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 58824298 MJXGRLNBAYAYAO-UHFFFAOYSA-N 430.356 6.096 0 40 IKAB CCCOc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(CC)(c5ccccc54)[C@@H]3C2=O)cc1 59433362 OQPPFTCYHJDUAM-FPWWFTSNSA-N 437.539 5.436 0 40 IKAB Cc1cc(Oc2ncccn2)ccc1NS(=O)(=O)c1c(C)c(Cl)cc(C)c1Cl 65223947 CMTYPXRSHRZJRX-UHFFFAOYSA-N 438.336 5.302 0 40 IKAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)nc(CN1CCC(C)CC1)n2C(C)C 65322328 GDWSRYLKBAKDLT-UHFFFAOYSA-N 434.584 5.175 0 40 IKAB CSc1ccc(-c2noc(-c3cn(-c4ccc(F)cc4)c(=O)c4ccccc34)n2)cc1 67245377 MVWDFHPYFYCNRQ-UHFFFAOYSA-N 429.476 5.569 0 40 IKAB CC(C)N(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214853 IHNNTGQHWBSVLW-NRFANRHFSA-N 439.556 5.705 0 40 IKAB Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(C(=O)C(C)(C)c4cccc(F)c4)C3)nc2)n1 72353478 IZXCMQXTYUDIOH-LJQANCHMSA-N 447.558 5.055 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@@H](C)Cc4ccc(O)cc4)cc3)o2)c1 79100647 UKHJCSCTJVVZFA-SFHVURJKSA-N 427.504 5.121 0 40 IKAB C[C@@H](NC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)[C@@H]1C[C@@H]2CC[C@@H]1C2 101530978 RFBBNAHDSTYUGA-AWUAVAFOSA-N 432.490 5.098 0 40 IKAB CC(=O)O[Sn](CC1CCCC1)(CC1CCCC1)CC1CCCC1 195999484 FVXZUZJZADEPJG-UHFFFAOYSA-M 427.217 6.066 0 40 IKAB O=C(CCSc1ccc(Cl)cc1)Nc1ccccc1C(=O)NCCc1ccccc1 196452214 MXYHURSPYFFTLS-UHFFFAOYSA-N 438.980 5.433 0 40 IKAB Cc1cccn2cc(-c3ccccc3NC(=O)c3cc(-c4ccc(F)cc4F)nn3C)nc12 206902538 DHVIXGIZRQHXBK-UHFFFAOYSA-N 443.457 5.241 0 40 IKAB C[C@H]1C[C@H](C)CN(C(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)C1 215683389 WOTUQJMIKNKYIM-QWRGUYRKSA-N 439.528 5.744 0 40 IKAB Cc1cc(C(F)(F)F)nc2sc(C(=O)Nc3ccccc3OC(F)(F)F)c(N)c12 215756816 TXPWVEGHMGQDOH-UHFFFAOYSA-N 435.349 5.357 0 40 IKAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1 222848937 LLNVNUKBHSZAOQ-QGZVFWFLSA-N 435.395 5.260 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)NC(c2ccccc2)c2ccccc2)c1 223422951 QJPYGZSPCOYCTL-PLRJNAJWSA-N 436.511 5.265 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223495432 PXJVQLNBCDYIQR-OAQYLSRUSA-N 449.422 5.566 0 40 IKAB Cc1cc(C(=O)Nc2cccc(Cl)c2C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224005390 ZZTYHDXXOGCWDA-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1CSc1ccccc1 224331955 VFXIXEXGAREAQH-UHFFFAOYSA-N 446.616 5.567 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2C)cc1 224342848 BGIIDCVULVQBQS-UIOOFZCWSA-N 438.600 5.920 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C)c2)c1 224525292 VFCJKNHFABTEJE-RPBOFIJWSA-N 440.572 5.366 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCC2)o1 225028344 MRRDGEYSJBYBHW-XZOQPEGZSA-N 437.996 6.219 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)cc(C)c1 225333712 DBDRBFLPISRIGI-QFIPXVFZSA-N 449.422 5.486 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCc2ccc(C(C)C)cc2)[nH]n1 225545456 HPXKXHWUDXXTJJ-UHFFFAOYSA-N 434.540 5.701 0 40 IKAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)nc1 257242594 IDGSVTWAFHLFRE-JOCHJYFZSA-N 425.454 5.454 0 40 IKAB Fc1ccccc1O[C@@H]1COC2(CCN(Cc3ccccc3OCc3cccnc3)CC2)C1 257315039 UZQLWKUPACNDJM-QHCPKHFHSA-N 448.538 5.002 0 40 IKAB COc1ccccc1CNC(=S)c1cccc(OC)c1OCc1ccccc1Cl 408578837 ZOVKGWRUJLGNNT-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB Cc1cc(-c2ccc(Cl)cc2)n2nc(Cc3ccc(F)cc3)c(-c3ccccc3)c2n1 408635802 FCPOGLLKVCAEMB-UHFFFAOYSA-N 427.910 6.755 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccccc3C)n2)c1 408697485 JSNXGVVQMCXNBV-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccc(F)cc2)c1C 408697694 LCUBXUOOIRYORR-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)c1C 408698823 SCBQVEUVPQWVIN-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)c1 409103477 BTSLUDJFPBUXHG-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3ccc(C)cc3)c(OCC)c2)cc1 409111965 AZSPBAXGLXLFFR-UHFFFAOYSA-N 425.956 6.637 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3cccc4ccccc34)C2=O)c1 409245850 ZWTYJNLVTGROSE-YZSQISJMSA-N 448.522 5.820 0 40 IKAB CC(C)Cc1cc(C(=O)N2CCCCCCOc3ccccc3Oc3ncccc3C2)on1 643578547 YFRWIYKFISZFRQ-UHFFFAOYSA-N 449.551 5.656 0 40 IKAB Cc1ccc2oc(C(=O)N3CC[C@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)cc2c1 1848355209 MLSDOLWNOJRECK-KRWDZBQOSA-N 449.938 5.369 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)n1-c1ccccc1)Nc1cccc2ccccc12 907213 CUJFQVJSZIIHTP-UHFFFAOYSA-N 437.528 5.213 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)c1ccc(OC)c(OC)c1 958064 CPLWPJFQDMOLTF-UHFFFAOYSA-N 445.924 5.515 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(OC)cc3)C3CCCCC3)cc2c1 1327117 QIHXZOUJYSCVQU-UHFFFAOYSA-N 433.552 5.466 0 40 IKAB CCOC(=O)c1ccc(N2C(=O)[C@H](Oc3ccccc3C)[C@@H]2c2ccc(OCC)cc2)cc1 1439877 FFYNZUVUALAQAO-LOSJGSFVSA-N 445.515 5.106 0 40 IKAB CC1(C)CC(=O)c2cc3c(N)c(C(=O)Nc4ccc(Cl)c(Cl)c4)sc3nc2C1 1471944 KTDDSIZRDLOQBS-UHFFFAOYSA-N 434.348 5.593 0 40 IKAB CCOC(=O)c1cnc2ccc(C)cc2c1Nc1ccc(C(=O)OC2CCCCC2)cc1 1777785 MELKPBHKBGOZBS-UHFFFAOYSA-N 432.520 5.953 0 40 IKAB O=c1oc2cc(OCc3c(F)cccc3Cl)ccc2cc1-c1nc2ccccc2s1 1797719 QYZIUWZQNATBRZ-UHFFFAOYSA-N 437.879 6.441 0 40 IKAB biogenic Cc1ccc(NC(=O)c2ccc(C)c3ccccc23)cc1-c1nc2cc(Cl)ccc2o1 2050681 MJFPAEDEILGMFU-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB CCCCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(Oc3ccccc3)cc1)C2=O 2079092 NXTGLGAQVZVNIT-UHFFFAOYSA-N 443.499 6.017 0 40 IKAB C[C@@H](Cc1ccccc1)NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O 2249539 JCYWTLINEZPBDK-LAUBAEHRSA-N 438.365 5.424 0 40 IKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)c1ccc2c(c1)OCCO2 2376620 JEXJBHFCWMCYBU-UHFFFAOYSA-N 428.488 5.950 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cc(Cl)ccc4C)c23)cc1 2389211 SGIVFELKBBFSDO-UHFFFAOYSA-N 439.993 6.359 0 40 IKAB CC(C)N(C(=O)COC(=O)c1ccccc1OCc1ccc(Cl)cc1)c1ccccc1 2617127 MHFHVYKBRFVYFG-UHFFFAOYSA-N 437.923 5.517 0 40 IKAB CC1=C(c2ccc(Cl)cc2)N=C2N=C(C(F)(F)F)NN2[C@H]1c1ccc(Cl)cc1 2647871 BXHRQAGOXQFHKI-MRXNPFEDSA-N 425.241 5.616 0 40 IKAB CCC(C)(C)c1ccc(Oc2ccc(NC(=O)COC(=O)c3cnc(C)cn3)cc2)cc1 3238792 SXZOBHUGJBRWRA-UHFFFAOYSA-N 433.508 5.060 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)N1CCCc2ccccc21 3251051 MLLDUWFKQKJJNF-UHFFFAOYSA-N 438.556 5.277 0 40 IKAB COc1ccc(NP(=O)(/C=C(\Cl)c2ccccc2)/C=C(\Cl)c2ccccc2)cc1 3252207 UUBQFIXBSNZLRK-IDUDEYGOSA-N 444.298 7.860 0 40 IKAB CC(C)C[C@H](C)OC(=O)/C=C(/CC(=O)O[C@@H](C)CC(C)C)C(=O)O[C@@H](C)CC(C)C 5454611 PKLUSOSWJPKLAL-CBYVTJRVSA-N 426.594 5.236 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC=C3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 5758787 ACGNVBRAISEVDK-RPIQFHTISA-N 426.685 7.880 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(-c2ccncc2)nc2ccccc12 6191242 PEGHLEXLRDBMIQ-UHFFFAOYSA-N 427.813 6.221 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4c(C)cc(C)cc4C)c3C)C2=O)c1 6967199 IWPVIPGAWTUYSM-ZVHZXABRSA-N 427.548 5.421 0 40 IKAB Cc1nc2c(cnn2C(C)C)c(C)c1CCC(=O)NC(c1ccccc1)c1ccccc1 7278529 XAJMBCUSCXGVNI-UHFFFAOYSA-N 426.564 5.467 0 40 IKAB Cc1ccc(-n2nc3c(c2NC(=O)C(C)(C)Oc2ccc(Cl)cc2)CSC3)cc1 8909887 PXPBIIMUBLSKEZ-UHFFFAOYSA-N 427.957 5.377 0 40 IKAB CCOc1cccc2cc(-c3nnc(NC(=O)c4sc5ccccc5c4Cl)o3)oc12 9168211 NLBCQZKALXFHOX-UHFFFAOYSA-N 439.880 6.002 0 40 IKAB COc1cccc([C@@H]2C[C@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9291899 VRMXVWYENXLRDN-IRLDBZIGSA-N 434.337 5.954 0 40 IKAB C[C@H]1CCc2cc(F)ccc2N1C(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccco1)N2 9304364 XYAHVIMQWBBBKK-IOHHAYIISA-N 448.420 5.257 0 40 IKAB COc1ccc2nc(O)c(CN(C(=O)c3cccc(Cl)c3)c3ccc(C)c(C)c3)cc2c1 9431102 NHYPQBWPDDCLSD-UHFFFAOYSA-N 446.934 6.066 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3cccs3)=NN2C(C)=O)cc1 9434105 OIKZXNWVRLNNHN-QHCPKHFHSA-N 442.544 5.307 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cccs2)n2ncnc2N3)cc1 9489406 HKFMMXUUWLELPP-PKTZIBPZSA-N 428.517 5.298 0 40 IKAB COc1cc(-c2n[nH]c(-c3ccccc3)c2-c2nc3ccccc3n2C)cc(OC)c1OC 9492444 YWTIWBQTFZNDHL-UHFFFAOYSA-N 440.503 5.323 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)Nc1ccc(F)c(F)c1F 9508144 XNKPXBOSUZXROP-UHFFFAOYSA-N 443.425 5.584 0 40 IKAB COc1ccc([C@H]2NC(=O)c3sc4nc(C5CC5)cc(-c5ccccc5)c4c3N2)cc1 9524261 VGKAWQQSHPWTKH-HSZRJFAPSA-N 427.529 5.703 0 40 IKAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1cc(-c2ccccc2)nc2ccccc12 9525797 CLJFNAVPEVUWQJ-UHFFFAOYSA-N 446.890 5.359 0 40 IKAB CC(C)c1ccccc1NC(=O)CSc1nnc(-c2cccs2)n1-c1ccccc1 9633045 XIHUZMJRNWVVPD-UHFFFAOYSA-N 434.590 5.850 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 9664224 CCTJEDXOMYXXBB-UHFFFAOYSA-N 445.953 5.734 0 40 IKAB Cc1cc(C)c(NC(=O)CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)c(C)c1 9796143 ANWWVJURSCBBJH-UHFFFAOYSA-N 439.515 5.302 0 40 IKAB O=C(CN1C(=O)c2cccc3cccc1c23)NCCSCc1c(Cl)cccc1Cl 9891780 KFKXTYZQSDRWJD-UHFFFAOYSA-N 445.371 5.156 0 40 IKAB Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3sc4ccccc4c32)cc1 9959476 JAVLBCLEBZEABK-UHFFFAOYSA-N 432.932 5.377 0 40 IKAB CC(C)(C)[C@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)C4CCCCC4)C3)cc2N1 12160624 CIBZZCQOXBLLDK-NXHRZFHOSA-N 426.527 5.113 0 40 IKAB COc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc1OC 12296471 DQQOXOBZOFDENZ-UHFFFAOYSA-N 441.439 5.476 0 40 IKAB biogenic Cc1c(S(=O)(=O)c2ccc(F)cc2)c(NC(=O)c2cccc(F)c2)n(C(C)C)c1C 12408622 AIVWDKQTTVIGEW-UHFFFAOYSA-N 432.492 5.049 0 40 IKAB O=C(COc1cccc(Oc2ccccn2)c1)Nc1ncc(Cc2ccc(F)cc2)s1 12773036 WRCQTMFCZFPJBW-UHFFFAOYSA-N 435.480 5.078 0 40 IKAB O=C([C@H]1CC=CCC1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 13031148 GAQWBGNBQFAZQF-WMZOPIPTSA-N 447.398 5.441 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1ccc(Cl)cc1F 13522783 KHNHXVGAFZEGMA-UHFFFAOYSA-N 439.943 5.802 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3ccc(Cl)cc3)nnc2c1-c1cccc2ccccc12 13635704 SEDKJXGJWZBUIJ-UHFFFAOYSA-N 427.895 5.467 0 40 IKAB Cc1onc(C(=O)Nc2cccc(C(F)(F)F)c2)c1COc1cccc(C(F)(F)F)c1 13640944 PNXWLRSYTQZKTN-UHFFFAOYSA-N 444.331 5.852 0 40 IKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1ccc(OCc2cccc(Cl)c2)cc1 13930680 LCTPUUBNOYDLLZ-MYYYXRDXSA-N 439.898 6.417 0 40 IKAB CCOc1ccc(-c2nc(CN[C@@H](c3ccccc3)c3cccs3)cs2)cc1OC 14244628 MICBIJYBJRBTQU-QHCPKHFHSA-N 436.602 6.158 0 40 IKAB COc1cc(CCC(=O)N[C@H](C)Cc2ccc3oc4ccccc4c3c2)cc(OC)c1OC 15106016 CWYCDSKXRNDTII-QGZVFWFLSA-N 447.531 5.292 0 40 IKAB CSc1ccc([C@H]2C(=O)N(c3ccc(C)cc3)CC(=O)N2c2cc(C)cc(C)c2)cc1 15413324 VECNRJQZDUNDER-VWLOTQADSA-N 430.573 5.455 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2ccc(Br)cc2)c2ccc(C)cc2C)cc1 16309990 DPYBBYMPQUSTEA-UHFFFAOYSA-N 444.394 5.770 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(Cl)cc1Cl 16491937 MMWMOIPAFISJPD-UHFFFAOYSA-N 439.367 7.026 0 40 IKAB Cc1cccc(-n2c(-c3ccccc3)nn(CC(=O)N(c3ccccc3)C(C)C)c2=S)c1 16769766 VDEYDMHXGXZQFJ-UHFFFAOYSA-N 442.588 5.820 0 40 IKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccco2)c1C 17135682 HMBSRIZTZFNHLN-UHFFFAOYSA-N 435.568 6.267 0 40 IKAB CCN(CC)[C@@H]1CCO[C@H](c2ccc(NC(=O)c3cccc(Nc4ncccn4)c3)cc2)C1 19711824 SPKIRFIKNVWAQS-RPWUZVMVSA-N 445.567 5.034 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1Cl 20112135 NHRFNFMHNQDNRZ-HNNXBMFYSA-N 446.931 5.079 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)c(Br)c1)c1ccc(-c2ccccc2)cc1 20611512 MWMRVRUVHYADBV-UHFFFAOYSA-N 437.337 5.205 0 40 IKAB O=C(O)[C@H](c1c[nH]c2cc(Cl)ccc12)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 20731135 OVDXCSOIDUCBDU-IBGZPJMESA-N 438.742 5.076 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)cc(Cl)c1OCc1ccccc1F 22073891 LMVPVBXAYWCOTD-UHFFFAOYSA-N 429.963 5.981 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)ccc2C)c2ccc(C)cc2C)cc1 22275366 UBNWDJKWYNQQKW-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB O=C(NC[C@H](c1cccs1)N1CCc2ccccc2C1)c1ccc(Br)cc1 22907899 QPPUXQODVXAHPD-HXUWFJFHSA-N 441.394 5.040 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c(C)c1 24672926 DGKYJRRPQFLFNI-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB C/C=C/c1ccc(OCC(=O)Nc2ccnn2Cc2ccc(C(F)(F)F)cc2)c(OC)c1 24990051 UOUAUQBWVURELI-ONEGZZNKSA-N 445.441 5.009 0 40 IKAB CCc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(OC)cc3)CC2=O)cc1 27792783 WHMVREDAKHGZAR-OAQYLSRUSA-N 425.532 5.176 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)cc(=O)c2cc1C 28289097 PEFVANLWISBZKQ-QHCPKHFHSA-N 446.591 5.274 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3n2)cc1 33680588 FHSJKSOMCRZDJR-UHFFFAOYSA-N 438.487 5.558 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)c1 35264342 PFCBVJISKQAPOA-OAHLLOKOSA-N 448.906 5.570 0 40 IKAB COc1cc2cc3c(N)c(C(=O)Nc4ccccc4C(F)(F)F)sc3nc2cc1OC 35313106 FMTJDOWNCVZGAI-UHFFFAOYSA-N 447.438 5.320 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC(=O)N2CCCC2)cc1 44086584 CBZRDIKUIHGNHW-UHFFFAOYSA-N 446.403 5.869 0 40 IKAB CCN(c1ccc(C(=O)N(C)C2CCCCC2)cc1)S(=O)(=O)c1ccc(SC)cc1 44946375 RAMOWQSOTPJQMJ-UHFFFAOYSA-N 446.638 5.028 0 40 IKAB Clc1ccc(CN2CCN(c3ncnc4sc5c(c34)CCCC5)CC2)cc1Cl 54074882 JVRAJKKUBGAXMB-UHFFFAOYSA-N 433.408 5.199 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)C(C)(C)Oc3ccc(C(C)(C)C)cc3)c2C(N)=O)C1 59294520 GOBJUANTLCNJCM-CQSZACIVSA-N 428.598 5.065 0 40 IKAB CCOc1ccccc1-c1noc(-c2cn(-c3ccc(Cl)cc3)c(=O)c3ccccc23)n1 67245397 LSLABFLYLASPSC-UHFFFAOYSA-N 443.890 5.760 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2C(=O)c2ccccc2)cn1)C1CCCC1 72215569 AOLVBYFXJJVHTB-QFIPXVFZSA-N 435.568 5.743 0 40 IKAB O=C(O)CN(Cc1ccc(OCc2ccccc2)cc1)Cc1ccc(C(F)(F)F)cc1 73633138 POTXNYOLCATGPW-UHFFFAOYSA-N 429.438 5.371 0 40 IKAB COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cn(-c3ccccc3)nc2-c2ccsc2)C1 96012506 AOAWERVDHAENQP-HSZRJFAPSA-N 442.544 5.307 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccccc1Cl 101170754 BRIOINWOBOGTMV-WJQBNGMASA-N 437.926 5.764 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)N[C@H](C)[C@H]4C[C@H]5CC[C@H]4C5)cc3)ccc12 102312955 XAGCOIJCLBJNPK-OFYLTFBOSA-N 431.532 5.235 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc(Cl)c2)C(=O)N1c1ccc(Cl)cc1 102736177 SALBNUSWSPILRS-PCCBWWKXSA-N 439.298 5.045 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)cc1OC 106683043 SHTDCOIIUYDETA-FAPYRAKZSA-N 431.941 5.762 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3Cl)C2=O)c2ccccc21 106733403 WCSWUYBJQRYXQR-JMIUGGIZSA-N 428.916 6.080 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1C(C)C 223296299 MHZRUUKWRAAGGO-ZDUSSCGKSA-N 446.396 5.482 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 223358199 RKTAERRRESUYLC-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB COc1cccc(OCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 223395472 YIARTRNGVRPEJE-UHFFFAOYSA-N 427.953 5.450 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1Cl 223841817 KYXMGUMFOQPHQP-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccccc1C(C)(C)C 224508085 XZYASMZMBTVLOL-UHFFFAOYSA-N 431.576 5.934 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)c1 224540561 GWXIYYOQSRBNMH-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccccc1C(C)C 224566192 POOXEPTWOHKHFU-UHFFFAOYSA-N 425.475 6.318 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 224877728 LDDFUGMTXZNWJP-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)c1cc(Br)ccc1Cl 225072017 FPXLWYFGRXMSSP-UHFFFAOYSA-N 444.800 6.823 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)C1(c2ccccc2)CCOCC1 225425007 FSMYKTMMJVKZFQ-UHFFFAOYSA-N 437.992 6.319 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 225501215 ORMAWDJQSZXCFG-OAQYLSRUSA-N 425.598 5.204 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225608875 QMTVNGSERRHVGW-CYFREDJKSA-N 443.031 5.557 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@H]3CC4(OCCO4)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]12C 253609375 PECVQXJSAFWCOS-HEQKUYFOSA-N 446.716 6.822 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2cccc(Cc3ccccc3Cl)n2)C1 257238354 HKOVJAVJTLMMKD-VWLOTQADSA-N 439.003 5.294 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CC[C@@]2(C1)CN(c1cccc(Cl)c1)C(=O)O2 257313028 UQRZZBWRGPKCFF-RUZDIDTESA-N 432.907 5.249 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCC[C@H]2C)n1)c1ccccc1 260707660 ATATVMDSBWZSGM-MOPGFXCFSA-N 447.608 5.695 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CSCc3c(Cl)cccc3Cl)ccc21 408570118 ZECOCHADYMUYQM-UHFFFAOYSA-N 443.399 6.993 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc5ccccc45)C3)cc2)c1 408642046 NHOJCRGXCUPSAZ-NRFANRHFSA-N 436.511 5.932 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3cccc(C(=O)Nc4cc(Cl)ccc4Cl)c3)C(=O)[C@@H]2C1 408685162 QFWJQNJXIYSRGS-IAGOWNOFSA-N 429.303 5.091 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693659 BNQKWDYCQAAPPV-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)cc1 408697364 GRJFKOKKJOYYBS-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccc(OCc2ccc(Cl)cc2)cc1 409037953 VABNFFGHBUURDL-JCMHNJIXSA-N 434.948 5.523 0 40 IKAB Brc1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccccc2)cc1 409097723 OJMQMDRMDGOZIB-UHFFFAOYSA-N 436.378 5.913 0 40 IKAB Cc1ccc(C)c(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)c1 409112464 CYISDCPXECHEGE-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB Cc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc(Cl)c2)cc1Cl 409116629 KXOSZYSCXIZKFH-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB O=C1S/C(=C/c2ccc(OCc3cccc(F)c3)cc2)C(=O)N1CCCc1ccccc1 409141347 HTGYUMQMJRYJHO-JJIBRWJFSA-N 447.531 6.074 0 40 IKAB CC(C)(C)C(=O)N1CC[C@H](Cc2ccc(Nc3ncc(-c4ccc(F)cc4)s3)nc2)C1 643550718 NMDXLQMZWSPHTJ-QGZVFWFLSA-N 438.572 5.525 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@H](Cc4cccc5ncccc45)C3)c2C)cc1 643586772 CGAZZBQEGHCWGT-OAQYLSRUSA-N 436.555 5.924 0 40 IKAB O=C(CSc1ncccc1-c1nc(-c2ccc(F)cc2)no1)NCCC1=CCCCC1 1565520539 WLMGGHPYUNJNQG-UHFFFAOYSA-N 438.528 5.037 0 40 IKAB Cc1ccc2cc(CN(C(=S)NCCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 1224192 OAHRCBGSUMCFPQ-UHFFFAOYSA-N 433.621 5.088 0 40 IKAB COc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccccc2)cc1OC 1413217 CCKITGSXEPOASO-VWLOTQADSA-N 425.488 5.152 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2Br)sc(C)c1-c1ccccc1 1791070 OUFQFSXNELIXJY-UHFFFAOYSA-N 430.323 5.525 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@H](c2c[nH]c3ccccc23)N1c1ccc(F)cc1 1816488 LNRLSDIGAHSWEM-XMMPIXPASA-N 432.886 5.888 0 40 IKAB CC1(C)Nc2ccccc2-c2c1ss/c2=N\c1cccc(NC(=O)c2ccccc2)c1 1820001 LTPPWWRXINQURG-PNHLSOANSA-N 443.597 6.622 0 40 IKAB COc1ccccc1[C@@H](CCNCc1ccc(OC(C)C)cc1)c1ccc(OC(C)C)cc1 1820604 SUVGWYORIDFDCX-MHZLTWQESA-N 447.619 6.581 0 40 IKAB biogenic Cc1ccc(C(=O)[C@H](C)OC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 2079590 NLJIOWSIKSGJTJ-SFHVURJKSA-N 443.930 6.600 0 40 IKAB COc1cc(OC)c(OC)cc1CC[C@H](C)NCCC(c1ccccc1)c1ccccc1 2106056 BENHUXHIBFRHAF-NRFANRHFSA-N 433.592 5.845 0 40 IKAB biogenic Cc1coc2cc3oc(=O)c(CCC(=O)Nc4cccc(C(F)(F)F)c4)c(C)c3cc12 2151673 XWYDFDNQNHGRQP-UHFFFAOYSA-N 429.394 5.746 0 40 IKAB biogenic CCCN(CCC)c1ncnc2c1sc1nc(CC(C)C)c3c(c12)CC(C)(C)OC3 2271460 FIYYDKBNOYOZMB-UHFFFAOYSA-N 426.630 5.916 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccc(Br)cc1)[C@H](c1ccccc1)C1CCCC1 2300850 QVJFJQBKRUBPAD-JWQCQUIFSA-N 448.404 6.629 0 40 IKAB Cc1ccc(NC2=C[C@@H](c3cccc4ccccc34)N(c3ccc(C)c(C)c3)C2=O)cc1C 2342596 GZJAUAZVSSGULX-LJAQVGFWSA-N 432.567 7.157 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(N(CC)CC)cc2)c2oc3ccccc3c2n1 2449426 BNNDHQCNUBARNX-UHFFFAOYSA-N 434.565 5.515 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)COc4ccccc4C)c3)nc2c1 2593784 QKQUCEHQXAGKBT-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB O=C(CNC(=O)c1sc2ccccc2c1Cl)OCc1csc(-c2ccccc2)n1 2628399 JCIUVEXESHORQJ-UHFFFAOYSA-N 442.949 5.151 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)c3sc4ccccc4c3Cl)n2)c1 2660581 JKOBPJYERFQYTH-UHFFFAOYSA-N 430.938 5.948 0 40 IKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(F)cc23)Cc2ccncc2)c1C 2722480 LKYHTBUDVTVJFV-UHFFFAOYSA-N 446.595 6.069 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nn(-c2ccccc2)c(=S)s1 3295669 UZQCIWMOUNCFOY-UHFFFAOYSA-N 429.636 5.583 0 40 IKAB O=C(NCc1ccco1)c1ccccc1NC(=S)Nc1ccc(SC(F)F)cc1 3339375 OEHQIHGLSSSTKE-UHFFFAOYSA-N 433.505 5.333 0 40 IKAB Cc1cccc(C(c2c(C)nn(-c3ccccc3)c2N)c2c(C)nn(-c3ccccc3)c2N)c1 8691194 JYRCIXJJNMPTAS-UHFFFAOYSA-N 448.574 5.328 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)c(F)c2)c1 8810368 ZTAKNNQFTYOTTJ-UHFFFAOYSA-N 432.904 5.149 0 40 IKAB O=S(=O)(c1ccccc1)c1cnn(-c2cc(Cl)ccc2Cl)c1-c1ccc(F)cc1 8855274 GHAXPHROANYBAK-UHFFFAOYSA-N 447.318 5.818 0 40 IKAB O=c1c([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(Cl)cc4)=NN32)coc2ccc(F)cc12 9066243 YLDPJMZMPKQVDV-OFVILXPXSA-N 446.865 5.828 0 40 IKAB CSc1nc(NCc2cccnc2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 9089861 UAOUJBVTMQRKIJ-UHFFFAOYSA-N 435.622 5.656 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 9299692 ZLNSWBZIVLEYQP-GFCCVEGCSA-N 434.841 6.177 0 40 IKAB O=C(Nc1sc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccccc1Cl 9328056 ZFRPLLCSSSTKHN-UHFFFAOYSA-N 441.939 6.987 0 40 IKAB CSCC[C@H](NC(=O)c1sc2cc(F)ccc2c1Cl)c1nc2ccccc2[nH]1 9511898 YHYRKRIGIFOITJ-HNNXBMFYSA-N 433.961 5.794 0 40 IKAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9603461 QYHMXNJVDBYDBX-ZDUSSCGKSA-N 443.623 5.336 0 40 IKAB Cc1ccc(CNc2nc(Nc3cccc(Cl)c3)c3cnn(-c4ccccc4)c3n2)cc1 9648272 XWFHRJSGKQLQKZ-UHFFFAOYSA-N 440.938 6.133 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4cccc(Cl)c4)c3n2)cc1OC 9668612 GUCGKLITCYWPQU-UHFFFAOYSA-N 447.844 6.085 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSCC(=O)NC(c1ccccc1)c1ccccc1 9882237 YCLBBKQUWDGSGX-UHFFFAOYSA-N 433.573 5.427 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 10009694 KSXGQHGUDBDRCH-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccn4c3NC(C)(C)C)C2)cc1 12088154 RREQPILJXPAOED-OAQYLSRUSA-N 434.584 5.101 0 40 IKAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CSc1nnc(C2CC2)n1Cc1ccccc1 12849020 FJBNMYMCCOMGLK-LJQANCHMSA-N 446.620 5.123 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(c2nc3ccccc3s2)CC1 12875029 AYWBYVMWTQPMML-UHFFFAOYSA-N 427.573 5.419 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)N(C)Cc3ccco3)nc2-c2ccc(C)cc2)cc1 13164390 HKWYJEDMQUSMGY-UHFFFAOYSA-N 444.560 5.166 0 40 IKAB CCOCCCN(C(=O)c1cccs1)[C@@H](C(=O)NC1CCCCC1)c1ccc(C)cc1 13497189 VSPUVEIRVSDSPT-HSZRJFAPSA-N 442.625 5.116 0 40 IKAB Fc1ccccc1[C@@H]1c2cccn2CCN1C(=S)Nc1ccc(Br)cc1 13524476 FLYHLXQMCFIHLI-LJQANCHMSA-N 430.346 5.192 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncc(-c2ccc(Cl)cc2)n1C1CCCC1 13562294 HUPHXNZALDIWMI-OXJNMPFZSA-N 432.033 6.106 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1nc(SCc2ccc(F)cc2)ncc1Cl 13629613 ZJPWBVZRYPWPJT-UHFFFAOYSA-N 442.730 6.121 0 40 IKAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N(C)CC(=O)Nc1cccc2ccccc12 14197878 YWARSQLMYMQZIQ-HXUWFJFHSA-N 437.543 5.404 0 40 IKAB O=C(Nc1nnc(-c2cc(Cl)ccc2Cl)o1)c1ccc(C(=O)c2ccccc2)cc1 16047594 CWOXXMQBVFDDRV-UHFFFAOYSA-N 438.270 5.527 0 40 IKAB CCOc1ccc([C@@H](CNC(=O)c2cccc(OC)c2)c2c[nH]c3ccccc23)cc1OC 16176405 WVWKURXDNSVORV-JOCHJYFZSA-N 444.531 5.146 0 40 IKAB CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1 16575812 WMVRMDPWDGUXRU-UHFFFAOYSA-N 431.586 6.214 0 40 IKAB C[C@H](NCc1c(OCc2ccccc2F)ccc2ccccc12)C12CC3CC(CC(C3)C1)C2 16576115 BIGKELGMKWTPQK-PWHYTNLZSA-N 443.606 7.252 0 40 IKAB CCCCSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 16758000 CXWQKLWPLLAZLC-UHFFFAOYSA-N 438.394 6.742 0 40 IKAB CC[C@@H]1CCC2=NN(c3nc(-c4ccc(OC)cc4)cs3)[C@@](O)(C(F)(F)F)[C@@H]2C1 16957498 VJMQHCUMDADTEK-PEELUZDISA-N 425.476 5.072 0 40 IKAB CCc1cccc(C)c1NC(=S)NC(=O)c1cccc2c(Br)cccc12 17095331 XCAPDAQKVJJROL-UHFFFAOYSA-N 427.367 5.600 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)COc1ccc(C(C)(C)C)cc1 17097169 DWFCEIDDUMUHFT-UHFFFAOYSA-N 430.573 6.587 0 40 IKAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)[C@@H](C)Oc3ccc(C)cc3)c2)cc1 17154488 OICCYXHWDBRVRD-BGYRXZFFSA-N 432.520 5.115 0 40 IKAB Cc1ccc([C@@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 17920679 FWPXXWJCAFWHHE-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB COc1ccc(CN2CCCCC[C@@H]2c2cc(-c3ccc(OC)c(OC)c3)on2)cc1O 19559734 BPWSJGYTLHQKOX-HXUWFJFHSA-N 438.524 5.190 0 40 IKAB CC(=O)Nc1ccc(CN2CC[C@@H](c3cc(COc4ccc(C(C)C)cc4)[nH]n3)C2)cc1 19704707 OAUZUXLMYAIHOM-JOCHJYFZSA-N 432.568 5.060 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccccc1Cl 19928281 HYPKJBBQHVKKBN-UHFFFAOYSA-N 448.979 6.075 0 40 IKAB Cc1ccc(SCCNC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1 20238863 QMJGELRBYXJPCP-UHFFFAOYSA-N 428.022 6.463 0 40 IKAB O=C(NCCc1ccccc1)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 20522204 POBWRSXIBDMDAL-NRFANRHFSA-N 432.911 5.021 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1)c1ccc(F)cc1F 21310738 DXYXTZFAQGSPBR-LLVKDONJSA-N 425.262 5.737 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C)c(Cl)c2)cc1 22277941 IXMVXSWSILCVSR-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N(C)Cc5ccc(OC)c(OC)c5)(C4)C2)C3)cc1 23494138 UKAZGWFTJAHORV-LHUUVIGISA-N 449.591 5.209 0 40 IKAB CCOc1cc(C)ccc1OCc1nnc(SCc2ccc(Br)cc2)n1C 27526937 DQVWZQRIMXNKCL-UHFFFAOYSA-N 448.386 5.156 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 28077171 GFQYINAUPZPDFE-UHFFFAOYSA-N 435.593 5.110 0 40 IKAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1 28288541 KEZCPEZDTCRKSY-KRWDZBQOSA-N 443.012 6.022 0 40 IKAB Cc1c(C(=O)Nc2cc3c(cc2Cl)OCCO3)sc2nc(C(F)(F)F)ccc12 32582857 PKEGTXQXMYRFRP-UHFFFAOYSA-N 428.819 5.300 0 40 IKAB COc1ccccc1-c1cc(CSc2nn(-c3ccc(Cl)cc3)c(=S)s2)on1 32865961 NIDFUAPSZUOBDR-UHFFFAOYSA-N 447.994 6.273 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(Cl)c3)ccc2Cl)c(C)c1 35352601 RYJNEIGFTPMVTG-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1nn2c(ncc3c(=O)n(Cc4ccccc4Cl)ccc32)c1-c1ccc(Cl)cc1 40397597 UNUXKDUUKGTKAC-UHFFFAOYSA-N 435.314 5.375 0 40 IKAB O=C(c1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1 44915835 UGPBZNGNGVMISR-UHFFFAOYSA-N 432.951 5.422 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC(c2cncc(-c3cccc(C(F)(F)F)c3)n2)CC1 72359640 IQBNHBSAJFCVAW-UHFFFAOYSA-N 443.444 5.250 0 40 IKAB CC(C)(C)C(=O)N[C@H](c1nccs1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 72394575 RREDMWPIZXKORN-SFHVURJKSA-N 440.440 5.566 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)c3ccccc3)[C@H](c3cccs3)C2=C(O)C1 100141916 OKEJNLLYRTVSRU-XMMPIXPASA-N 428.557 6.854 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)N[C@H](c1ccccc1)c1ccccn1 105547662 XXVBNRMIZZRNOO-DDBXBKKASA-N 439.397 5.411 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 222549817 DIAXIYXSHRIPIH-MBSDFSHPSA-N 445.003 5.003 0 40 IKAB CN(Cc1cccc(Oc2ccccc2)c1)S(=O)(=O)c1ccc(Br)cc1 223725208 MOHVDKKWKSDPOE-UHFFFAOYSA-N 432.339 5.062 0 40 IKAB COc1ccc(C(=O)Nc2ccccc2Br)cc1CSc1ccccc1 224324460 QIIBFCZADAFETB-UHFFFAOYSA-N 428.351 6.002 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(OC)c(CSc2ccc(Cl)cc2)c1 224346877 DRGYAWNMGWAHTO-UHFFFAOYSA-N 425.981 6.764 0 40 IKAB CCN(c1ccc(C(=O)N[C@@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 224366228 SRVFQANOVQIYPI-FQEVSTJZSA-N 436.577 5.010 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccc(C)cc1 224464558 ACZBQVKRHPYWEF-UHFFFAOYSA-N 444.358 6.210 0 40 IKAB Fc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)cc1 224472795 WRPJWQYOWNQIKU-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2cccc(Cl)c2)[C@H](C)C(=O)NC2CCCC2)cc1 224643287 XZSAAXSWQQBJFJ-GOSISDBHSA-N 445.028 5.217 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1c(Cl)cccc1Cl 224846806 YVKQSCFMOMXHKG-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)ccc1F 224906853 UDDXMRHUBGWRIE-DNQXCXABSA-N 446.526 5.636 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 225036466 YNIWOTCIDWECRF-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C)cc1 225324194 UXJZTCBTCOWXPP-JOCHJYFZSA-N 449.422 5.568 0 40 IKAB CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(Cl)cc4)CCCC3)cc2)CC1 225523010 DXERIOIWUWVVJV-UHFFFAOYSA-N 441.015 5.901 0 40 IKAB CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)C2CCCC2)CC1 257265171 LXPQPTVXWMVWGL-UHFFFAOYSA-N 438.637 5.281 0 40 IKAB COc1cccc(-c2cc(C)nc([C@@H]3CCCN(C(=O)c4ccc(OC)cc4OC)C3)c2)c1 257290836 QENFDJXJLOUNTB-HXUWFJFHSA-N 446.547 5.103 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2OC)ccc1OCc1ccc(Cl)cc1 408576034 PJEWPCGRFZOICE-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB O=C1N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(Br)cc1 408930612 ZLBLLNZHXWNDCO-KGENOOAVSA-N 449.304 5.334 0 40 IKAB Cc1ccc(Cl)cc1NCc1ccc(OCc2ccccc2F)c(Br)c1 409117920 YCNOCGPMRWGYHZ-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(COc3ccc(C(C)C)cc3)o2)c(C)c1 409338131 DPCNTJGYFGLGCR-UHFFFAOYSA-N 425.554 5.428 0 40 IKAB CN1CCCCCCN(C(=O)CC2CCCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581802 ARXGNTDCFYTGCQ-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB C[C@@H]1COc2ccccc2CCCCC2(CCN(Cc3ccc4cc[nH]c4c3)CC2)C(=O)N1 643589628 VQBJMGCEHLZKLT-OAQYLSRUSA-N 445.607 5.060 0 40 IKAB CCOc1ccc(N(Cc2ccc(OC)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1 915536 IKBBOWRWQROMMF-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@H]12 918181 QYXSLVBHLXGBFP-JJRVBVJISA-N 432.446 5.049 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(Cl)cc2)cc1 1253607 OKRBBNZLIBKFPI-UHFFFAOYSA-N 449.963 5.332 0 40 IKAB COc1ccc(C)cc1NC(=O)CSc1nc(C2CC2)nc2sc3c(c12)CCCC3 1332778 KLKPTWYUBVEOBG-UHFFFAOYSA-N 439.606 5.495 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1ccccc1Cl)nc(C)n2Cc1cccc(Cl)c1 1338756 LHLMCTHRKBQTGD-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC(=O)C4CCCC4)sc3C)ccc21 1354694 MFQLJGADXBHYKN-UHFFFAOYSA-N 445.588 5.759 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)ccc1OCc1ccccc1Cl 2050857 OHWCDHZFOZCPEP-NDENLUEZSA-N 437.854 5.411 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccc2oc(-c3ccccc3F)nc2c1 2138398 ZORZOQWBODSYAW-UXBLZVDNSA-N 427.262 6.593 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1 2367083 QGGZIEOKSYEZIT-FQRUVTKNSA-N 440.318 5.172 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 2448416 PMCGFOGMRHPVHU-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB CCCCc1ccc(NC(=O)CSc2ncnc3c2cnn3-c2ccc(C)cc2)cc1 2450288 SHYMECRPKHWKTI-UHFFFAOYSA-N 431.565 5.197 0 40 IKAB O=C(NCCSc1c(-c2ccccc2)[nH]c2ccccc12)c1ccc(-c2ccccc2)cc1 2721146 OVFZCQWPNYZJHS-UHFFFAOYSA-N 448.591 7.024 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccccc1C(F)(F)F 2925015 ZXZXKISYMCFXSP-UHFFFAOYSA-N 429.876 5.608 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1cccs1)N1c2ccccc2CCc2ccccc21 3166721 PJMIVKRGOSIONM-UHFFFAOYSA-N 447.563 6.678 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)cc1 3213717 NAVTXSNHBPNXQI-UHFFFAOYSA-N 435.501 5.207 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1 3272016 GDKIHHIQEAZDMI-UHFFFAOYSA-N 441.560 5.002 0 40 IKAB COc1cc(CN(C)c2nc(C)nc3sc4c(c23)CC[C@@H](C)C4)ccc1OC(F)F 3399857 KKVRRECXPSCJPS-GFCCVEGCSA-N 433.524 5.371 0 40 IKAB COc1ccc(C)cc1-n1c(SC/C=C/c2ccccc2)nc2sc(C)c(C)c2c1=O 3439708 RWTFJDKYTPAYBF-DHZHZOJOSA-N 448.613 6.187 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3cc(C(C)C)ccc3C)c3ccccc32)cc1 4548447 UBDFUDLLRYTGRC-NDEPHWFRSA-N 427.544 5.434 0 40 IKAB CCCCOc1ccc2c(=O)c(-c3cc(C(=O)OC)oc3C)c(C(F)(F)F)oc2c1C 6481178 ZXKRMTARWHQQMF-UHFFFAOYSA-N 438.398 5.654 0 40 IKAB CCCCCCN(CCCCCC)C1=N/C(=C\c2ccccc2)C(=O)N1c1ccc(C)cc1 8452934 KGMVOWPULAGJCV-VYIQYICTSA-N 445.651 7.201 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2cccs2)oc1SCc1ccccc1Cl 8591742 PFKYIAUWVLBKJA-UHFFFAOYSA-N 447.990 6.182 0 40 IKAB CC1CCC(Nc2nc3c(-c4cccc(C(F)(F)F)c4)nnn3c3ccccc23)CC1 8603943 ABPVGQKSLXMXQX-UHFFFAOYSA-N 425.458 5.954 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)sc2c1 8903238 YYYZJFIAVCNEGK-SDNWHVSQSA-N 446.528 6.165 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 9064735 SRFVSGNUMATYHD-DHZHZOJOSA-N 445.371 6.397 0 40 IKAB Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)NCc2ccccc2)n1 9250223 KBXGPNBFGVPRNT-UHFFFAOYSA-N 439.968 5.013 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccc(Br)cc1 9382419 MHFOPWTYOVWZHE-SFHVURJKSA-N 446.348 5.368 0 40 IKAB O=C1c2oc3ccc(F)cc3c(=O)c2[C@@H](c2ccc(O)cc2)N1Cc1ccccc1Cl 9592957 NRBVJWXGSBPREJ-OAQYLSRUSA-N 435.838 5.037 0 40 IKAB CCn1c(S[C@@H](C(=O)Nc2ccc(OC)c(Cl)c2)c2ccccc2)nnc1C1CC1 9593624 YFHWXOYFIGLBJE-LJQANCHMSA-N 442.972 5.310 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1cc(-c2ccco2)on1 9597882 UVSAXUOSDFHOPW-UHFFFAOYSA-N 431.279 5.355 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)c1C 9846579 NFDPCDBYZDCUGG-IINYFYTJSA-N 443.594 5.434 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@H](C)C(=O)N1CCCCCC1 9954708 GXNWNHYIWZKFKP-HXUWFJFHSA-N 430.548 5.570 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 10060254 SSXJTCZLQCZTIG-OAQYLSRUSA-N 430.888 5.099 0 40 IKAB CCOc1ccc(C2=NNC(c3cccs3)=Nc3ccc(Cl)cc32)cc1OCC 12485964 XLHAAOKPXUMBSR-UHFFFAOYSA-N 425.941 5.633 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 12766751 CHZLPCRVPWQGSY-UHFFFAOYSA-N 432.904 5.095 0 40 IKAB C[C@@H](Sc1nnc2c(Cl)cc(C(F)(F)F)cn12)C(=O)c1ccc(C(C)(C)C)cc1 12776335 MDVVWIVYFOJTCN-LLVKDONJSA-N 441.906 6.063 0 40 IKAB Cc1nc(CSc2ccc(Cl)cc2)cc(OCc2ccc(Cl)c(Cl)c2)n1 12955603 LHNDSYGOYOTWNQ-UHFFFAOYSA-N 425.768 6.617 0 40 IKAB O=C(/C=C/c1ccc(OCc2c(F)cccc2Cl)cc1)NCc1cccc(Cl)c1 12956875 VARKACDAXXMSFI-FMIVXFBMSA-N 430.306 6.041 0 40 IKAB COc1cc(/C=C/C(=O)Oc2ccc(Cl)cc2C2CCCCC2)cc(OC)c1OC 13071333 ZEOFYPUKCSBHTE-FMIVXFBMSA-N 430.928 6.032 0 40 IKAB COc1cc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc(Cl)c1OC(C)C 13109660 YBTKGVZRIRVRFT-UHFFFAOYSA-N 444.984 5.765 0 40 IKAB Clc1ccc(N2N=C(c3ccc(Br)cc3)C[C@@H]2c2ccco2)cc1Cl 13302762 YGOUOZQJZCDEID-GOSISDBHSA-N 436.136 6.705 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@@H]12 13450390 QYXSLVBHLXGBFP-JKIFEVAISA-N 432.446 5.049 0 40 IKAB Cc1cc(OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc(C)c1Cl 13684232 WIFRWKPASYRLIF-GOSISDBHSA-N 436.939 5.465 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccc3nccnc3c2)C1 13687286 YDOXYWKDENPJCZ-HSZRJFAPSA-N 442.906 5.283 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 13776950 VIPGAIURSIAFSV-AOYPEHQESA-N 432.951 6.714 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1cccc(Cl)c1Cl 17095237 MCRULDQCOVDJBS-FNORWQNLSA-N 427.114 7.212 0 40 IKAB O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C(c1ccccc1)c1ccccc1 17097925 ZLJYYDWKNAFSBO-UHFFFAOYSA-N 432.479 5.258 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3nc4cc(Cl)ccc4o3)cc2)c1 17099824 LBIAFRKQBFTBQI-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1ccc2c(c1)OCO2 17100561 DMWOKOFVLQNSLT-UHFFFAOYSA-N 436.562 5.418 0 40 IKAB Cc1cc(-c2nc3ccccc3s2)ccc1NC(=O)C(C)(C)Oc1ccc(Cl)cc1 17100957 KWBVFYDKCNHFMO-UHFFFAOYSA-N 436.964 6.721 0 40 IKAB CCOCc1ccc(C(=O)N2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)cc1 19531215 VGHCCVJUDYHYSN-UHFFFAOYSA-N 429.467 5.025 0 40 IKAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCN2Cc2ccc3ncccc3c2)n1 19687424 KRDDMDGBAAWLPX-XMMPIXPASA-N 427.527 5.234 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccc(OC)cc4OC)CC3)c2)cc1 19691097 KTYAINLWMYKDQU-UHFFFAOYSA-N 446.547 5.103 0 40 IKAB Cc1nc([C@@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19743187 FEPQCMIMYDZVBY-QHCPKHFHSA-N 436.575 5.263 0 40 IKAB Cc1cc(NC(=O)c2ccc(-c3cc(Cl)ccc3Cl)o2)ccc1-c1ccc(CO)o1 20140062 PSOINHKHYKKIRW-UHFFFAOYSA-N 442.298 6.566 0 40 IKAB COc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccc(Cl)cc1 22073881 SMTKVJSHBAEFNA-UHFFFAOYSA-N 446.418 6.639 0 40 IKAB O=C(Nc1cccc(CNC[C@@H](c2cccs2)N2CCCC2)c1)c1ccccc1Cl 24981479 RFLKNHGOPZVHLK-QFIPXVFZSA-N 440.012 5.581 0 40 IKAB Cc1cc(NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)ccc1Br 30855123 LDMMIKYQFWYBBF-UHFFFAOYSA-N 435.365 5.963 0 40 IKAB CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 30855395 BIYVGMXAGZDMRT-HSZRJFAPSA-N 449.978 6.665 0 40 IKAB Cc1cccc(-n2c(SCC(=O)O[C@@H]3C[C@H](C)CC[C@@H]3C(C)C)nc3ccccc32)c1 34745306 YVMJNAXKVMSTOK-ZILOHOTNSA-N 436.621 6.430 0 40 IKAB Cc1ccc(CN2C(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)n3c2nc2ccccc23)cc1 39964003 BHMAPFATEGQUDA-DEOSSOPVSA-N 438.531 5.078 0 40 IKAB O=C(CSc1ccc2ccccc2c1)Nc1ccc(N2CCOCC2)cc1C(F)(F)F 40145443 AXBDFLXQADKBHO-UHFFFAOYSA-N 446.494 5.426 0 40 IKAB Cc1nnc(NC(=O)CSc2ncc(-c3ccccc3)n2-c2cccc(Cl)c2)s1 44087227 BUPLLFCHVTYRRJ-UHFFFAOYSA-N 441.969 5.083 0 40 IKAB CN(Cn1nc2c(Cl)cc(Cl)cn2c1=S)[C@@H](c1ccccc1)c1ccccn1 48275768 HPYHSTZZUHZSQK-SFHVURJKSA-N 430.364 5.246 0 40 IKAB O=C(c1cnc(OCC(F)(F)F)c(Cl)c1)N1CCCc2cc(Br)ccc21 48353602 HSDJUHXCZHTJPF-UHFFFAOYSA-N 449.654 5.032 0 40 IKAB C[C@H](Nc1nc(-c2ccccn2)nc2scc(-c3ccccc3)c12)C(=O)NC(C)(C)C 58008658 KWXZEGAADCBFSK-HNNXBMFYSA-N 431.565 5.135 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](c1ccccc1)N(C)Cc1cnn(-c2ccccc2)c1 58176680 PJLNUOMILGETQC-SANMLTNESA-N 440.547 5.083 0 40 IKAB C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccccc4)cc3)cc2)C1 65563757 HSNDLEBBNGBNTG-PMACEKPBSA-N 448.588 5.273 0 40 IKAB CC(C)(C)c1ccc([C@@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(F)cc4)C3=C(O)C2)cc1 101472946 XEVKWAVTQJYFCZ-NGOKVRLYSA-N 440.562 7.752 0 40 IKAB C[C@@H](C(=O)NCc1ccccc1Cl)N(Cc1ccccc1)C(=O)CCc1ccccc1 222765486 ZBNIDVLTVZRUQQ-FQEVSTJZSA-N 434.967 5.006 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](CC)C(=O)NC)cc1 223320543 CYLRFSOORQCOGA-NRFANRHFSA-N 435.395 5.042 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCOc3cccc4ccccc34)cc2)cc1 223511116 MIBFGOMXHICLIH-UHFFFAOYSA-N 427.569 6.249 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 223703672 ADXHYUDCWIBXGB-XMMPIXPASA-N 440.653 5.260 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 223838652 AOODPMUUKIDTIC-JWQCQUIFSA-N 440.572 5.448 0 40 IKAB Cc1ccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c(C)c1 224329559 NOVYGUONOJAHJG-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 224374814 LSFNLEUDUDMKNO-IZZNHLLZSA-N 438.600 6.173 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2SC)cc1COc1ccccc1C(C)C 224570651 JBGNBVRHBGKKLF-UHFFFAOYSA-N 435.589 6.762 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1COc1cc(C)cc(C)c1C 224611683 NKALOAYQIMJVQF-UHFFFAOYSA-N 449.547 5.859 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(Cl)cccc1Cl 224812140 OKSVKHSDLRRVJN-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3ccc(OC)cc3)cs2)cc1 225250218 KHJOJESPTIOCEN-DEDYPNTBSA-N 439.562 5.092 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1ccccc1Cl 225612757 PJISGJYYJMDASR-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Br)c1 226334148 FQQDJGNKSLBUFQ-VMPITWQZSA-N 430.125 5.911 0 40 IKAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)C1c2ccccc2Oc2ccccc21 238834185 GMOGUMPRVQVVCA-DEOSSOPVSA-N 433.554 5.100 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4ccc5ncccc5c4)C3)CCOCC2)c1 257248896 JFSDTYHQPKDEHM-HSZRJFAPSA-N 428.576 5.073 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCCC[C@@H]1c1nnc(-c2nccc3ccccc23)o1 257249440 JIJDXUZLRHGCGI-JOCHJYFZSA-N 435.487 5.200 0 40 IKAB COc1cccc(Cc2cnc([C@@H]3CCCCN3C(=O)c3nccc4ccccc34)o2)c1 257273699 NHTSTADUDJGFNJ-QHCPKHFHSA-N 427.504 5.190 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2cn(C(C)C)c3ccccc23)CCO1 257279403 OGKAISZTLARMPF-JOCHJYFZSA-N 447.604 5.370 0 40 IKAB CNC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2cn(C(C)C)c3ccccc23)CCO1 257279404 OGKAISZTLARMPF-QFIPXVFZSA-N 447.604 5.370 0 40 IKAB COc1ccccc1-c1cc(-c2cc(CC(=O)O)ccc2OCC(C)C)nn1CC(C)C 257316835 VHFKKCZCRDTUJY-UHFFFAOYSA-N 436.552 5.544 0 40 IKAB COc1cccc(CNC(=S)c2cccc(OCc3ccc(Cl)cc3Cl)c2)c1 408572742 IAEQWRUIBKMKDS-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2Cl)cc1C 408618012 IQKXAFLDZWQUJE-UHFFFAOYSA-N 449.016 5.600 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)cc3)nc2-c2ccc(Cl)cc2)cc1 408694318 IXZRPRHWNXDKED-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(Cl)cc2)n1 408697832 JZZCCOYKAHTLBG-UHFFFAOYSA-N 443.721 6.147 0 40 IKAB CC1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccccc3C(C)C)c2)CC1 408701726 DRPGAAASEBIUCF-UHFFFAOYSA-N 434.989 5.136 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(Cl)c(Cl)c1 408704080 JLDSJDAPNXVFMG-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(Cc4ccccc4F)C3=O)cc2)cc1 409239824 FLMMSCMOFMLJDF-HMAPJEAMSA-N 435.545 6.522 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3C)cc2)cc1Cl 409260549 RWKNXPYOOYGXIU-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 902013 VVZPDOBDYXKVPZ-ZUOKHONESA-N 439.503 5.275 0 40 IKAB CCOc1ccc(-c2c(C)sc(NC(=O)c3ccccc3OCC)c2C(=O)OC)cc1 1791121 DJPBUJOOVVDRSW-UHFFFAOYSA-N 439.533 5.560 0 40 IKAB FC(F)(F)c1cccc(N2CCN(CCCCOc3cccc4ccccc34)CC2)c1 1820466 RUKLWGFXRMBBEU-UHFFFAOYSA-N 428.498 5.840 0 40 IKAB Cc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)c(C)c1 2183045 CIUACRJKXRIWAA-UHFFFAOYSA-N 432.614 6.235 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2357033 FUOZORQASZUZKE-UHFFFAOYSA-N 433.305 5.925 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(c1nnc(C)s1)C3=O 2408235 IJSBWDQNYIBULD-FQEVSTJZSA-N 445.544 5.309 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H]2CCCC[C@@H]2C)c1 2650315 BPHYUULDZLXTFA-YJBOKZPZSA-N 425.558 5.032 0 40 IKAB O=c1c2sccc2nc(SCc2ccccc2F)n1-c1ccc(Br)cc1 2908724 FSWDDZGMTGGYIJ-UHFFFAOYSA-N 447.354 5.641 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1 3174984 IVBIWIFNCUVWNV-UHFFFAOYSA-N 434.561 5.204 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCc1cc(Cl)ccc1OC(F)F 3235971 KSWPVPJPYFTLOO-UHFFFAOYSA-N 446.060 6.024 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)COc4ccccc4C)cc3)sc2c1 3239834 NGENBSBHQZNHAZ-UHFFFAOYSA-N 446.528 5.141 0 40 IKAB COc1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)n2-c2ccccc2)cc1F 3396027 BLBAIZQYYGPQNK-UHFFFAOYSA-N 435.480 5.103 0 40 IKAB O=C(Nc1c(C(=O)c2ccc(Br)cc2)oc2ccccc12)c1ccccc1F 3655574 ALQNLMZBFJWDFK-UHFFFAOYSA-N 438.252 5.818 0 40 IKAB CC(=O)C1=NN(c2ccc(Cl)cc2)[C@@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1 3765490 DFTWORVGCQVMNX-QFIPXVFZSA-N 444.749 6.575 0 40 IKAB CC(=O)OCC(=O)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[C@@]21C 4104895 JSVYRMIOVGLIBW-VOCLXHTQSA-N 432.601 5.099 0 40 IKAB biogenic,in-vitro O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146958 NJKIJSLTQBDTIZ-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CCCc1nc2ccc(NC(C)=O)cc2c(=O)n1Cc1ccc(-c2cccc(Cl)c2)cc1 6501592 DQEVCZUJEAPUJK-UHFFFAOYSA-N 445.950 5.676 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3ccc(NS(=O)(=O)c4ccc(C(C)C)cc4)cc3c2C1 8439055 QFEZCSCCPLXCFI-IBGZPJMESA-N 439.621 6.898 0 40 IKAB COc1ccc(C(=O)c2sc3nc(-c4ccccc4)cc(C(F)(F)F)c3c2N)cc1 8448606 WWEDWSUNHGEEOW-UHFFFAOYSA-N 428.435 5.804 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 8753410 JXAOVSYESIPEFJ-QFIPXVFZSA-N 439.559 5.561 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 8831270 ZBDCLOYZXQJCLM-ZDUSSCGKSA-N 447.387 6.894 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3cccc4c(Br)cccc34)c2C(N)=O)C1 8832461 BUTLRVUAPUENAI-LLVKDONJSA-N 443.366 5.140 0 40 IKAB CCOP(=O)(OCC)c1nc(Cc2ccc(OC)cc2)oc1NCc1ccc(C)cc1 8917447 DACQFSZMOHCYJN-UHFFFAOYSA-N 444.468 5.086 0 40 IKAB COc1ccc(-c2nnc(NC(=O)c3cccc(NC(=O)c4cccc(C)c4)c3)s2)cc1 9062312 GWYPUTRLMTZMLL-UHFFFAOYSA-N 444.516 5.027 0 40 IKAB Clc1ccc(-c2csc(-c3cc4cc(Cl)ccc4o/c3=N\c3ccccc3)n2)cc1 9404591 VJRSZYDEVVAFAY-VYIQYICTSA-N 449.362 7.763 0 40 IKAB CC(C)NC(=O)CSc1ccccc1C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 9439139 OLBADTPIEBZCKA-UHFFFAOYSA-N 430.879 5.228 0 40 IKAB CCc1ccccc1NC(=O)c1cn(Cc2ccccc2)cc2c(=O)n(-c3ccccc3)nc1-2 9661648 YTPQDIJAINLAAY-UHFFFAOYSA-N 448.526 5.002 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CSc3nnc4n3CCCCC4)cs2)cc1 9812351 FTRQRSQAQXDDCE-UHFFFAOYSA-N 427.599 5.000 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C)c(C)c4)cc3C[C@@H]2C)cc1 10326586 RPKLYPDPNBYEGE-IBGZPJMESA-N 434.561 5.004 0 40 IKAB O=C(CSc1nc(-c2ccccc2)cc(-c2ccccc2)n1)c1ccc2c(c1)OCO2 12249813 ADOUNUTYHJTGEN-UHFFFAOYSA-N 426.497 5.514 0 40 IKAB Cc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nc3ccccc3c2=O)cc1 12415809 ZXTVLXYGJRNOIY-UHFFFAOYSA-N 432.530 5.098 0 40 IKAB Cc1ccccc1-n1c(-c2cccnc2)nn(CN2CCC[C@@H]2c2cccs2)c1=S 12551040 OLCWJOJHJJRGRF-HXUWFJFHSA-N 433.606 5.630 0 40 IKAB Cc1ccc([C@H](NC(=O)CCc2c(C)nc(SC(F)F)nc2C)c2ccccc2)cc1 12599224 HHWVWWYHWVTUBM-JOCHJYFZSA-N 441.547 5.555 0 40 IKAB O=C(/C=C/c1cccc2ccccc12)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 12893587 HYZMPOLDXBQGAZ-ISLYRVAYSA-N 445.522 5.319 0 40 IKAB Cc1ccc(-c2nnc(CCC(=O)NC[C@H]3CC4c5ccccc5C3c3ccccc34)o2)cc1 12929646 MYIBTSDOGBPPEJ-KSMUDLHBSA-N 449.554 5.391 0 40 IKAB COc1ccc2c(c1)c(CC(=O)N(C(C)C)C1CC1)c(C)n2C(=O)c1ccc(Cl)cc1 13018870 MQSHTSYGQQPFPA-UHFFFAOYSA-N 438.955 5.242 0 40 IKAB CC(C)Cn1c(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)nnc1-c1ccccc1F 13095488 WMKITGXMTKUKGS-DUXBZUBYSA-N 441.616 6.006 0 40 IKAB COC(=O)/C(=C\Nc1ccc(Cl)c2ccccc12)c1ncc(C(F)(F)F)cc1Cl 13119160 RULGCOOEHVTMKP-UVTDQMKNSA-N 441.236 6.186 0 40 IKAB Cc1cc(C(=O)COC(=O)c2cc3c(s2)CCCC3)c(C)n1CCc1ccc(F)cc1 13128930 MAEWRQIWVXGMSO-UHFFFAOYSA-N 439.552 5.467 0 40 IKAB Cc1nn([C@H]2CCOC(C)(C)C2)c2c1[C@@H](c1ccc(OC(C)C)cc1)SCC(O)=N2 13132410 ODXMXNAZUSNTCA-LAUBAEHRSA-N 429.586 5.533 0 40 IKAB O=C1C[C@@H](c2cccs2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 13634423 QDMMUPORYZGJSW-ZDUSSCGKSA-N 426.954 5.044 0 40 IKAB Cc1cccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1 13688993 CDIJFTFOIPENPR-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 13943852 OMYCCTHZXBEORX-NDEPHWFRSA-N 438.546 6.862 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3C(C)C)ccc2C)c1 14154906 ADPYTQGWIAWTRQ-UHFFFAOYSA-N 436.577 5.788 0 40 IKAB CC(=O)N1CCN(c2ccc(NC(=O)c3cccc4c(Cl)cccc34)cc2Cl)CC1 14273522 PBBLFQOWUZZPEY-UHFFFAOYSA-N 442.346 5.067 0 40 IKAB COc1ccc(OCCCC(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 14398244 UMMUNCJTDZJLMN-UHFFFAOYSA-N 428.381 5.211 0 40 IKAB CCS(=O)(=O)c1ccc(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)cc1 15882508 LOBZYUVEATUACE-UHFFFAOYSA-N 436.558 5.318 0 40 IKAB COc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1c(Cl)cccc1Cl 16196252 GWWZFQUHIXNZTM-UHFFFAOYSA-N 446.418 6.495 0 40 IKAB CCOc1cc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)cc(Br)c1OCC 16688364 TXCYYJIWKFPRAV-LRYXAPPNSA-N 436.434 5.941 0 40 IKAB CC[C@@H](C)c1ccccc1NC(=O)CSc1nnc(-c2ccccn2)n1-c1ccccc1 16789465 JBAJGFPCNCSQNU-GOSISDBHSA-N 443.576 5.574 0 40 IKAB COc1cc(C)c(CNC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@@H]32)cc1C 16949682 VMJLCNHZCSRTJT-DYIKCSJPSA-N 433.680 7.236 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(N3CCCC[C@@H]3C)cc2)cc(OCC)c1OCC 17095031 KRUOYSNVYPZEIR-SFHVURJKSA-N 426.557 5.514 0 40 IKAB Cc1cc2nn(-c3ccc(F)cc3)nc2cc1NC(=O)CSc1ccc(Cl)cc1 17095169 JMNHTSNANWDKBC-UHFFFAOYSA-N 426.904 5.252 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@@H]3CCCCN3C3CCOCC3)n2)c1 19294052 GGTHTNFTQHJAJC-QHCPKHFHSA-N 433.531 5.127 0 40 IKAB Cc1nc([C@@]2(O)CCCN(Cc3ccc(F)cc3)CC2)sc1CCOc1ccccc1 19705450 SFGSWXKYYIXOGA-RUZDIDTESA-N 440.584 5.086 0 40 IKAB O=C(c1ccccc1)[C@@H](SC(=S)N1CCN(Cc2ccccc2)CC1)c1ccccc1 19859332 WBSQKMNRDBWOLH-VWLOTQADSA-N 446.641 5.447 0 40 IKAB COc1ccc(CNCc2cccc(OC)c2OCc2ccc(Cl)cc2Cl)cc1 20248751 ROAZWHAIHJBCRD-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB CCCN(C(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1)C1=CCCCC1 21264352 YIVOCTWPGBYGOP-UHFFFAOYSA-N 447.608 5.177 0 40 IKAB Cc1nc(SCC(=O)N(C)C(c2ccccc2)c2ccccc2)n(C[C@H]2CCCO2)c1C 23077364 DDBPKJGTPURQFF-HSZRJFAPSA-N 449.620 5.019 0 40 IKAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)n2)cc1 24771832 NURLCSHOXLRAAV-SFHVURJKSA-N 444.560 5.478 0 40 IKAB CCOCc1ccccc1CNC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 30177619 JHBJILYOQWJGEF-UHFFFAOYSA-N 427.504 5.179 0 40 IKAB COc1ccc2c(CC(=O)N[C@@H](C)c3cccc(NC(=O)c4ccccc4)c3)coc2c1 32925155 SCQPOBDCIHNKOW-KRWDZBQOSA-N 428.488 5.114 0 40 IKAB Cc1c(NC(=S)NC(=O)c2sc3cc(Cl)ccc3c2Cl)cccc1C(=O)O 33653762 KBQXXVIZNHZNSN-UHFFFAOYSA-N 439.345 5.342 0 40 IKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@H](c1ccc(-c3ccccc3Cl)o1)CC(O)=N2 36356884 JMMJHAKMVPURSE-ZDUSSCGKSA-N 440.290 5.661 0 40 IKAB CCOc1ccc(C(=O)Nc2nnc(SCc3cccc(Cl)c3)s2)cc1OCC 39723967 CZSZBFLQXTXWRO-UHFFFAOYSA-N 449.985 5.534 0 40 IKAB O=C(N[C@@H](Cc1c(F)cccc1Cl)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320280 KOFUCJNDHVEKPI-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB c1ccc(-c2csc3nc(-c4ccccn4)nc(N4CCC(C5OCCO5)CC4)c23)cc1 69198867 PXVFKLDAGJIDPF-UHFFFAOYSA-N 444.560 5.010 0 40 IKAB Cc1oc(-c2ccsc2)nc1CC(=O)Nc1ccc(F)cc1-c1ccc(Cl)cc1 84056837 CWTCQGOZLJWLEY-UHFFFAOYSA-N 426.900 6.352 0 40 IKAB CCCCCOc1ccc(OC(=O)c2ccc([C@H]3CC[C@H](CCCCC)CC3)cc2)cc1 100003644 BJNNOFQXTSZGIC-PSWAGMNNSA-N 436.636 8.329 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 101987143 QENWBJAXORFUJO-NNFUDEMPSA-N 439.386 6.763 0 40 IKAB Fc1ccc(/N=c2/scc(-c3ccccc3Cl)n2Cc2ccc(Cl)cc2)cc1 102962671 AKBZGNFXWUWXDH-XTCLZLMSSA-N 429.347 6.943 0 40 IKAB C[C@@H](Oc1ccc(Br)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 219678748 JCIMOWMULQAGEQ-CQSZACIVSA-N 446.728 6.301 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222721786 AEYGRZVKVGJRSM-UHFFFAOYSA-N 426.365 5.822 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)ccc1C 223181830 MLXJDUJNCRSNKO-LJQANCHMSA-N 448.588 5.084 0 40 IKAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)c1 223184150 JZHZBNIXLUSEQH-MRXNPFEDSA-N 440.436 6.242 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@@H](C)c3ccc4c(c3)CCC4)c2C)cc1 223192463 ZGTSEXAKAZQOQK-IBGZPJMESA-N 448.588 5.084 0 40 IKAB CC(C)(C)c1ccccc1OCCNC(=O)CSCc1ccc(Br)cc1 223670590 MZAMLKYMISFKNN-UHFFFAOYSA-N 436.415 5.175 0 40 IKAB Cc1cccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1C 223948828 KBSNPIOWXQLJOT-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224181961 ZMDGLQYHTLMKSP-GOTSBHOMSA-N 441.512 5.217 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)C)c2)cc1Cl 224231822 IAXKOHCFGTVYCG-UHFFFAOYSA-N 439.939 6.312 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)cc1C 224256884 VAXLMSJHKYVEBG-RTBURBONSA-N 444.423 5.700 0 40 IKAB COc1ccccc1CNC(=O)c1ccc(OC)c(COc2ccc3ccccc3c2)c1 224317894 AMDNHWDDTUOTJX-UHFFFAOYSA-N 427.500 5.366 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(Cl)c(C)c3)c2)cc1 224544711 LIKWECURCGNHSU-UHFFFAOYSA-N 439.939 6.277 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCSCc1ccccc1 224621696 ZKWPBUUXJZIRTD-XMMPIXPASA-N 440.653 5.198 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224846572 WCIAESJHDCKPFC-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccc(C)cc1)C(=O)Cc1cccc(Cl)c1 225128568 WLIHKIPMPCBWKT-XMMPIXPASA-N 441.015 5.447 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 225423482 SOIWMVNYJLOWQC-RBUKOAKNSA-N 447.044 5.197 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1C 225528339 IORRVYUIEYFAQU-XUZZJYLKSA-N 440.653 5.259 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=S)Nc1ccc(Br)c(Cl)c1 225678668 YPOTUNHALYTHJP-INIZCTEOSA-N 439.806 6.000 0 40 IKAB O=C(CCc1nc(-c2ccc(Br)cc2)no1)Nc1ccc(Cl)cc1Cl 225819060 YFYJQULPIITUHB-UHFFFAOYSA-N 441.112 5.377 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 257323771 WLTXHVQCMWRDPF-QFIPXVFZSA-N 437.543 5.310 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CCC[C@@H](c4ccc(Cc5c(F)cccc5F)cn4)C3)cc12 257338487 YXQGKXWLJOYMSX-LJQANCHMSA-N 445.513 5.760 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@H](C)C1 260814767 NINRTMZXLKOOEL-VVZHRXSXSA-N 430.633 5.501 0 40 IKAB O=C1CS[C@H](c2cn(Cc3ccccc3F)c3ccccc23)N1c1ccc(Cl)cc1 408556621 KTUOXCADHBEKAT-XMMPIXPASA-N 436.939 6.261 0 40 IKAB CCOc1ccccc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1CC 408560628 MDGVUZOLGFTVFR-UHFFFAOYSA-N 446.576 5.172 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(OC)cc2)ccc1OCc1ccccc1Cl 408571250 AQUIOQBMXKZAAW-UHFFFAOYSA-N 441.980 5.792 0 40 IKAB O=C(Oc1ccccc1-c1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408674244 YVVQYZQLFDAERL-INIZCTEOSA-N 426.299 5.619 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2cc(C)ccc21 408713091 KAWCNLPWRHBQPN-UHFFFAOYSA-N 444.918 5.467 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3ccc(-c4ccccc4)cc3)sc2C)cc1OC 408823151 DWKBOJRHACSJNO-UHFFFAOYSA-N 430.529 6.055 0 40 IKAB CCOC(=O)C1=C(C)N=C(SCc2cccc(C)c2)N[C@@H]1c1cccc(Cl)c1Cl 408987250 FIIDYBZPGYGBKK-HXUWFJFHSA-N 449.403 6.073 0 40 IKAB CCCN1C(=O)/C(=C/c2ccc(OCc3ccc4ccccc4c3)c(OCC)c2)NC1=S 409079409 JRSGTGGVHKDXHY-JCMHNJIXSA-N 446.572 5.285 0 40 IKAB COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409326909 GJBOOINFXFFBAP-ZMOGYAJESA-N 442.559 5.256 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cc(C)ccc2C)S(=O)(=O)c2ccc(Cl)cc2)c1 409382276 QTPJJFJCZXDXTP-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(C1CCCCC1)N1CCC2(CC1)Cc1ccccc1CN(Cc1ccc(F)cc1)C2=O 1565552418 SNMVONRZGHPHML-UHFFFAOYSA-N 448.582 5.100 0 40 IKAB Cc1cc(Cl)ccc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 797720 FRWVCFQOERZGLQ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C(=O)Nc2ccc(F)cc2)cc1 1371178 XPXJHBJTKVXANO-UHFFFAOYSA-N 443.522 5.827 0 40 IKAB O=C(Nc1ccc([C@@H]2CC2(Cl)Cl)cc1)c1cccc(I)c1 1442234 XWSMGXGXLYQZRG-AWEZNQCLSA-N 432.088 5.205 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 1800047 VAMRQNQFFSYWMJ-UHFFFAOYSA-N 446.506 6.955 0 40 IKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4cc([C@@H](C)CC)ccc4o3)ccc2Cl)c1 1852909 CWZPTVFZTLDGIM-INIZCTEOSA-N 448.950 7.313 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccc(C)cc23)cc1 2078756 JGUDBOFHWCMQNZ-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2cc(Cl)ccc2Cl)cc1 2193926 MEYSKQFSWHCHCQ-UHFFFAOYSA-N 441.314 5.458 0 40 IKAB CCCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)c1ccc(Cl)cc1 2767875 WEKSKKMXYKWKPO-UHFFFAOYSA-N 427.953 6.504 0 40 IKAB c1ccc2sc(SN(Sc3nc4ccccc4s3)C3CCCCC3)nc2c1 3029045 WLYQQMMSTRZVRV-UHFFFAOYSA-N 429.661 7.255 0 40 IKAB Cc1nc(-c2cccc(C(F)(F)F)c2)sc1C(=O)Nc1cc(Cl)cc(Cl)c1 3069991 YKPNMTVESVYVRQ-UHFFFAOYSA-N 431.266 6.696 0 40 IKAB O=c1c(-c2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cccn1Cc1ccccc1 3133777 ILHVWNWFEVNVFA-UHFFFAOYSA-N 443.450 5.258 0 40 IKAB C[C@H](OC(=O)c1cc2ccccc2cc1O)C(=O)Nc1ccc(Oc2ccccc2)cc1 3252471 MIJYCUKEMITICC-KRWDZBQOSA-N 427.456 5.522 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(C)c(NC(=O)c4ccco4)c3)n2)cc1 3347458 QPKJNQVKAZCMIE-UHFFFAOYSA-N 433.489 5.225 0 40 IKAB Cc1noc(C)c1CSc1nnc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)o1 3427909 RMVJQSVIRJCRMF-UHFFFAOYSA-N 448.935 6.502 0 40 IKAB COc1cccc(CN[C@@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)c1 3454218 HDURPLSRIYOWNE-OAQYLSRUSA-N 448.872 5.837 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Oc1ccccc1-c1ccccc1)c1ccccc1O 3671010 IVTOVMABBYGDCU-UHFFFAOYSA-N 449.428 7.123 0 40 IKAB C[C@H](Cc1ccccc1)NC(=O)CCCCCCCCC(=O)N[C@H](C)Cc1ccccc1 4697261 AVBUWOHKTKLQNV-DNQXCXABSA-N 436.640 5.602 0 40 IKAB CCCc1sc(NC(=O)C23CC4CC(CC(C4)C2)C3)nc1-c1ccc(Cl)c(Cl)c1 8454183 FCEYCDRDNUUCTF-UHFFFAOYSA-N 449.447 7.224 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F)c1ccc(Cl)cc1 8810154 HXFBXFOCAFOAJQ-UHFFFAOYSA-N 438.952 5.123 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(Cl)c2)n1 8827451 OISWETCRPWODLO-KRWDZBQOSA-N 443.311 5.615 0 40 IKAB NC(=O)c1c(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)sc2c1CCC2 8832475 MHYZMIRTKHIACM-FNORWQNLSA-N 447.343 5.554 0 40 IKAB Cc1c(Cl)cccc1-n1nc(-c2nc(-c3ccccc3Cl)no2)c2ccccc2c1=O 8857162 BNELGGLCSHKHLP-UHFFFAOYSA-N 449.297 5.718 0 40 IKAB COc1ccc(NC(=O)CCN2C(=O)c3ccccc3[C@@H]2c2c(C)[nH]c3ccccc23)cc1 9095201 COWMYABBVGPCET-AREMUKBSSA-N 439.515 5.059 0 40 IKAB O=C(CSc1cccc2cccnc12)N1c2ccccc2Sc2ccc(Cl)cc21 9113142 SLVGQUVMHOAIDW-UHFFFAOYSA-N 434.973 6.810 0 40 IKAB CCCCNc1nnc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)s1 9175142 LJSRLDZTKDDHAO-UHFFFAOYSA-N 426.611 5.071 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1NC(=O)c1cc(-c2cccc(Cl)c2)on1 9597876 FPJIGUOQPBRYPD-UHFFFAOYSA-N 441.318 5.762 0 40 IKAB CC[C@@]1(C)N=C(SCC(=O)Nc2ccc(C)cc2)C(c2ccc(Br)cc2)=N1 9599319 RSGPRHAPTNYUSX-OAQYLSRUSA-N 444.398 5.457 0 40 IKAB c1ccc(-n2ncc3c(SCc4nnc(-c5cc6c(s5)CCCC6)o4)ncnc32)cc1 10021688 QGGPRMGEPQQLBC-UHFFFAOYSA-N 446.561 5.098 0 40 IKAB O=C(Nc1ccc2oc(Cc3ccccc3)nc2c1)c1ccc(-c2ccccc2Cl)o1 10120106 GHIKGHNKKFOLEA-UHFFFAOYSA-N 428.875 6.584 0 40 IKAB O=C(CCC(=O)N1CCc2sccc2[C@H]1c1cccs1)c1ccc2ccccc2c1 10219432 QBEUTDIWGKKXSU-VWLOTQADSA-N 431.582 6.100 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2OCC)cc1 12195852 RMTZPAIRHOQBCJ-ZEQKJWHPSA-N 448.950 6.380 0 40 IKAB COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 12249950 WHYJJGACSQTEFQ-UHFFFAOYSA-N 426.497 6.045 0 40 IKAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)c1 12380220 GHVOMBLDMXBYRR-GQYOUUAKSA-N 445.518 5.313 0 40 IKAB Cc1ccc(OCCSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 12690068 VDHXJNGGRPYEQR-UHFFFAOYSA-N 443.616 6.711 0 40 IKAB O=C(c1ccc(OCc2cscn2)cc1)N1CCC[C@@H](c2nc3ccccc3s2)C1 13163407 RKHKNTVYUQHUNN-QGZVFWFLSA-N 435.574 5.352 0 40 IKAB COc1ccc(C2=N/C(=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)C(=O)O2)cc1 13534062 UQULZWFANSFHRG-WOJGMQOQSA-N 447.796 5.972 0 40 IKAB Cc1nn2c(Nc3cccc(Cl)c3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 13554862 GURDWWKOKOQUBG-UHFFFAOYSA-N 425.363 7.053 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@H]2CC(c3ccc(OC)c(OC)c3)=NN21 13769087 PQZBOLAUUSVQIX-QFQXNSOFSA-N 430.504 5.345 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(F)cc2)cc1OC 13856462 PNVRKQCJSCNREB-QHCPKHFHSA-N 431.467 5.193 0 40 IKAB COc1cccc(/C=C2\SC(=S)N=C2O)c1OCc1ccc(Cl)cc1Cl 13898603 FHMOOGJAFONTAA-CHHVJCJISA-N 426.346 5.910 0 40 IKAB COc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(N3CCC(C)CC3)c(Cl)c2)cc1 14271883 RPCLVNLCQSBFJJ-BJMVGYQFSA-N 444.000 5.111 0 40 IKAB CCn1c(SCC(=O)Nc2nc3ccccc3s2)nnc1-c1cc2ccccc2o1 15019314 FCDZXFBQHWBLTG-UHFFFAOYSA-N 435.534 5.052 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccc(C)cc3C)CC2=O)c1 16902527 DXPREYQJWKUNRD-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)C(C)(C)Oc4ccc(Cl)cc4)cc3n2)cc1 17099294 DUMNBTBCTPIFJC-UHFFFAOYSA-N 434.927 5.487 0 40 IKAB Cc1ncsc1C(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19690487 VUNHOTVXVCTKTQ-UHFFFAOYSA-N 445.510 5.476 0 40 IKAB CCc1ccc(OCC(=O)N[C@H](c2ccccc2)c2ccccc2C)c(Br)c1 20041076 FFAQPCYLDZGJKF-XMMPIXPASA-N 438.365 5.605 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)C1 20452501 HRUBQKIQWDUSHV-NRFANRHFSA-N 433.596 5.187 0 40 IKAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1nc(Cl)c(Cl)c(Cl)c1Cl 23686027 FGYLWKKTRRMJRR-OAHLLOKOSA-N 427.118 5.610 0 40 IKAB CCc1oc2ccccc2c1CN(C)CN1C(=O)N[C@](C)(c2ccc3ccccc3c2)C1=O 23968413 UQEAFKIFAMTKQN-HHHXNRCGSA-N 441.531 5.005 0 40 IKAB O=C(c1ccc(-c2cccc(C(F)(F)F)c2)o1)N1CCC(c2nnc3ccccn23)CC1 24327478 VVLCFZBKRVHQKC-UHFFFAOYSA-N 440.425 5.028 0 40 IKAB COc1ccc(N(Cc2cccs2)S(=O)(=O)c2ccccc2C(F)(F)F)cc1 26543071 NSOQKMAAUKXUTH-UHFFFAOYSA-N 427.469 5.171 0 40 IKAB Cc1cc(C)cc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)c1 26770833 JGFKBRHKPVGJHK-SANMLTNESA-N 440.612 7.436 0 40 IKAB Cc1ccc(N(Cc2cccs2)C(=O)c2oc3cc(Br)ccc3c2C)cc1 27662663 NJOWGYRFPUZCTD-UHFFFAOYSA-N 440.362 6.721 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cccc(Cl)c4)cc3)n2)cc1 32578633 XCBPHUYIIZILMD-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CCOc1cc(C(=O)Nc2ccc3ccccc3c2)cc(I)c1OC 34860654 CSKDLLUTORWMRV-UHFFFAOYSA-N 447.272 5.104 0 40 IKAB COc1cc(-c2nc3cc(C)ccn3c2Nc2ccc(C)c(Br)c2)ccc1O 35616348 ZARAPCMNEKKWES-UHFFFAOYSA-N 438.325 5.838 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2Cl)cc1 44848000 XAGLLGWILKBYKS-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c(C)c1 44912126 IRKNKMIVDBNJDP-UHFFFAOYSA-N 449.378 5.329 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)N(Cc1cccs1)Cc1cccn1C 49410049 VBZDDFHQVJADDO-UHFFFAOYSA-N 425.941 5.546 0 40 IKAB CCOC(=O)Cc1csc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)n1 57612498 FVPNOHLXWYUZNJ-UHFFFAOYSA-N 434.439 5.187 0 40 IKAB Cc1ccccc1-n1c(SCc2nnc(C)n2C)nnc1-c1ccc(Cl)cc1Cl 58155942 IHXPSUSQIWSVHT-UHFFFAOYSA-N 445.379 5.279 0 40 IKAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 58160428 ASIJORRVWBKIIA-VWLOTQADSA-N 427.548 5.026 0 40 IKAB Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2C)cc1 58331344 YWMDWVJRWZCEBX-VGOFRKELSA-N 427.504 5.094 0 40 IKAB CCn1ncc2c(C(=O)Nc3cc(-c4ccncc4)ccc3C)cc(-c3ccccc3)nc21 58356962 RDIHDSXWBGRTKP-UHFFFAOYSA-N 433.515 5.741 0 40 IKAB COc1cccc2cc(C(=O)Nc3cccc(C)n3)/c(=N/c3ccc(SC)cc3)oc12 67295811 HRTJATDJDUTUKN-LCUIJRPUSA-N 431.517 5.351 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc(Cl)cc1[C@H](O)c1ccccc1 72229983 IIYDBJWLTFQDMI-LJQANCHMSA-N 436.722 5.989 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCN(C(=O)CC2CCCCC2)CC1 72345243 YOEBUENLQVDTDA-UHFFFAOYSA-N 447.623 5.006 0 40 IKAB CCC[C@@H](C)NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1cccs1)CC2 103922196 GXTXTNAAMUKMTI-DXFLKOCDSA-N 434.561 5.245 0 40 IKAB 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]3OC(C)=O 118924475 PMJBQFRZSVOFFB-FNDSCUSSSA-N 448.644 5.137 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cc(C(=O)O)ccc2Cl)o1 222851197 HHWIRIYXRPKZGD-WOJBJXKFSA-N 441.940 5.074 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 222900003 KDDDGNOLNSRLAT-IBGZPJMESA-N 434.555 5.244 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1Cl 224052146 JIDBIGJRTPQJNP-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(CSc3ccc(C)cc3)c2)cc1 224339493 CZNDJWXYPFSDAX-UHFFFAOYSA-N 435.545 5.725 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224343723 HTUNSQYEHUUXRC-JWQCQUIFSA-N 442.563 5.751 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=S)Nc2ccccc2)cc1 224531146 SXBFKZLZGDXKAL-UHFFFAOYSA-N 431.970 5.258 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2O)c1 224596822 FBEJSNGHWQKRKW-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224680797 WNZWGUMLIJMIQP-UHFFFAOYSA-N 429.944 6.100 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)(C)C 225090113 NHCPNVRJGSMKPD-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB Nc1c(-c2c(Cl)cccc2Cl)c(C(F)(F)F)nn1-c1cccc(C(F)(F)F)c1 225181033 NOCGQFUCIMJZJQ-UHFFFAOYSA-N 440.174 6.466 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 225357951 LNKVATVCFIAZOX-JWQCQUIFSA-N 446.620 5.963 0 40 IKAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225375169 SQTNCTXVLNAHND-JWQCQUIFSA-N 446.620 5.963 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225459779 XKXVTVJQVSIILZ-PGRDOPGGSA-N 447.044 5.295 0 40 IKAB CC(C)(C)CN[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)c(Cl)c1)c1ccccn1 257205389 AYUBXWZGDHGGBS-WMZHIEFXSA-N 434.455 6.510 0 40 IKAB O=C(COC(=O)c1ccc(-c2ccc(F)c(Cl)c2)o1)c1ccc(Br)cc1 408624193 UXORCPPJPVCJGJ-UHFFFAOYSA-N 437.648 5.541 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)c(C)c3)n2)c(C)c1 408694021 HIELVCDFSWYHGX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc2cc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)c(C)nc2c1 408713791 XJNGLKBYSAQKPD-UHFFFAOYSA-N 430.891 5.689 0 40 IKAB O=C(COc1ccccc1)Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2 409053554 KXCOFYZIKQCRJE-UHFFFAOYSA-N 440.952 5.550 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1 409126560 COTGNDHWIGBSER-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB O=C1S/C(=C/c2ccccc2OCc2cccc(F)c2)C(=O)N1CC1CCCCC1 409133912 NUMCPJXJJQHOCH-HYARGMPZSA-N 425.525 6.021 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 409137060 UUUIXEJHJNHWQX-ACCUITESSA-N 439.342 5.618 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)O[C@@H](C(=O)c1ccccc1)c1ccc(Cl)cc1 409178400 HHHPJLVRBPMLGQ-JOCHJYFZSA-N 449.717 6.193 0 40 IKAB Cc1nc(S/C(=C\c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)C(=O)O)n[nH]1 409192254 VZXJUYFQRWGXIP-MFOYZWKCSA-N 436.320 5.217 0 40 IKAB Fc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)cc1 409196587 PYYUBSWFDHIAHM-UHFFFAOYSA-N 436.324 6.933 0 40 IKAB CCOc1cc(CNc2ccc(C)cc2)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409265106 NRWUBXQLHSFDPO-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CSc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409272023 XTBWPDGQFUSPSC-ZPTXYVIGSA-N 440.612 6.957 0 40 IKAB O=C(c1csc(C(F)(F)F)n1)N1CCc2nc(-c3ccccc3Cl)sc2C1 576257270 VSFWLQLVZDLXLH-UHFFFAOYSA-N 429.876 5.137 0 40 IKAB CCCC[C@@H](CC)CC(=O)c1cc2c(Br)sc(Br)c2s1 1776011016 QZYRUTKULCUYRF-SECBINFHSA-N 438.250 7.277 0 40 IKAB CC[C@H]1CCc2nc3sc(C(=O)Nc4ccc(Br)c(C)c4)c(N)c3cc2C1 661752 JBPZEZZFJSPMSI-LBPRGKRZSA-N 444.398 5.717 0 40 IKAB Cc1cccc(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1C 682525 VCSSSCRVNILVPP-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2)sc(C(=O)Nc2ccccc2Cl)c1C 871207 KBUCEMCTWWXOSM-UHFFFAOYSA-N 428.897 5.001 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCOc1ccc(Cl)cc1 1764992 BKXYEZFPHANOCG-UHFFFAOYSA-N 439.342 6.230 0 40 IKAB CN(C(=O)Oc1c(Br)cc(Br)c2cccnc12)c1ccccc1 2207411 GZTPUSMEOWSNBI-UHFFFAOYSA-N 436.103 5.395 0 40 IKAB CCOC(=O)CSCC(=O)N1c2ccccc2-c2c(ssc2=S)C1(C)C 2268735 KKFRSHRGTCXAEF-UHFFFAOYSA-N 425.622 5.084 0 40 IKAB C[C@H](NC(=O)c1c(N)n(-c2cccc(Cl)c2)c2nc3ccccc3nc12)c1ccccc1 2312618 GUIXXSNGOREYCZ-HNNXBMFYSA-N 441.922 5.300 0 40 IKAB Cn1c(NC(=O)c2ccc(C(C)(C)C)cc2)c(-c2ccc(Cl)cc2)c(=O)c2ccccc21 2438167 XAFSXEYKYZJZEG-UHFFFAOYSA-N 444.962 6.409 0 40 IKAB Cc1ccc(OCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2Cc2ccco2)cc1 2645178 IVWRXOYIVNHLTA-UHFFFAOYSA-N 447.604 6.397 0 40 IKAB Cc1nc(NC(=O)c2cc(-c3ccc(Br)cc3)nc3ccccc23)sc1C 2739294 ZMCLLSSZNIXZRA-UHFFFAOYSA-N 438.350 5.990 0 40 IKAB Cc1ccccc1C1=N/C(=C/c2ccc(OCc3c(Cl)cccc3Cl)cc2)C(=O)O1 3274072 ZSZNHDSXIRAFDN-LPYMAVHISA-N 438.310 6.225 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)OCc1cccc(C(F)(F)F)c1 3276471 HZHFLAXKUFXIPE-UHFFFAOYSA-N 429.463 6.442 0 40 IKAB CCCn1c(C)cc(C(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)c1C 3278858 IHONUDAOBQIUFC-UHFFFAOYSA-N 445.997 6.408 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NC2CCN(Cc3ccccc3)CC2)c2ccccc2)c1 6787969 ZMDKOQZOTYNUEF-HHHXNRCGSA-N 427.592 5.237 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3cc(C)n(-c4ccc(C(C)C)cc4)c3C)C2=O)c1 6967207 YFDRFGDHIOEZBB-MFKUBSTISA-N 427.548 5.619 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 8431668 WBKNHCQLPMRUBW-RKVPQODOSA-N 426.947 6.777 0 40 IKAB COc1ccc2c(c1)[C@@H]1CC(c3ccccc3)=NN1[C@H](c1ccc(Cl)cc1Cl)O2 8817256 YUJGBZOSUCRAIS-GMAHTHKFSA-N 425.315 6.244 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nc2sc(C)c(C)c2c1=O 8878250 IMGVCENVHDWENK-UHFFFAOYSA-N 432.958 5.090 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1sc2ccccc2c1Cl 8883940 ISBGBGZJBADDTN-UHFFFAOYSA-N 446.359 6.311 0 40 IKAB COc1ccc(CNc2oc(-c3ccc(C(C)(C)C)cc3)nc2P(=O)(OC)OC)cc1 8916498 SNLMEPXCZSMVPZ-UHFFFAOYSA-N 444.468 5.371 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3ccc(C)c(Cl)c3)ccc1O2 8961330 KTYMEFRCOWZYPH-UHFFFAOYSA-N 428.897 5.116 0 40 IKAB O=C(NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1)c1cccc(Cl)c1 9064509 MVLJIOAACJLGGI-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCCC3)c1ccc[nH]1 9545933 CMCUBHQLIWPYEZ-UHFFFAOYSA-N 435.574 5.019 0 40 IKAB Cc1ccccc1NC(=O)c1cc2ccccc2cc1O[C@H](C)C(=O)NCc1cccs1 9595460 LTKRYNIOUGJKEB-GOSISDBHSA-N 444.556 5.546 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)Nc2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 9614639 CHFKHBOVQCBCLZ-DEOSSOPVSA-N 442.519 5.835 0 40 IKAB CCc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1-c1ccccc1 9668995 SRIBVOPHLMDTBM-UHFFFAOYSA-N 444.585 5.751 0 40 IKAB Cc1cc(NC(=O)c2nnn(-c3ccc4noc(-c5ccccc5)c4c3)c2C)ccc1Cl 12274453 XBTXNCPRFKGFDI-UHFFFAOYSA-N 443.894 5.598 0 40 IKAB CN(C)c1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(Cl)cc32)cc1 12485600 NAFOJCFSPLGLCZ-UHFFFAOYSA-N 430.983 6.137 0 40 IKAB C[C@H](NC(=O)COC(=O)CCSc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2 12541454 VNNCNJXCPHAHGO-SCUMNGBJSA-N 436.017 5.087 0 40 IKAB O=C(C[C@@H]1Sc2ccccc2NC1=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 12553951 YIWXMBCMJFUFDC-IBGZPJMESA-N 449.498 5.137 0 40 IKAB CCCCOc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12564475 LNEPPPXYIHASAJ-FQEVSTJZSA-N 447.457 5.151 0 40 IKAB COc1ccc(/N=c2\scc(COC(=O)c3ccc(C)cc3)n2Cc2ccccc2)cc1 12622990 FLVMZLOYBKPXMY-RQZHXJHFSA-N 444.556 5.504 0 40 IKAB COc1ccc(-c2cc3[nH]c(/C(Cl)=C/c4ccc(C(=O)O)cc4)nc(=O)c3s2)cc1 12768145 CPTGRGVRPMWOCW-YBEGLDIGSA-N 438.892 5.095 0 40 IKAB CCc1ccc(-c2noc(COC(=O)c3sc4cccc(F)c4c3COC)n2)cc1 12782448 AWDJVSKXZXEHOY-UHFFFAOYSA-N 426.469 5.156 0 40 IKAB Cc1c([C@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 12868225 CZRFPZYZFBFQLY-AWEZNQCLSA-N 426.442 5.101 0 40 IKAB Cc1cc(-c2cc(C(=O)N[C@H]3CCOc4ccccc43)c3cnn(C(C)C)c3n2)c(C)o1 12901532 ZSHQXGPYTDKMIT-NRFANRHFSA-N 430.508 5.143 0 40 IKAB CCc1ccc2nc(-c3cccc(C)c3)nc(SCC(=O)NCc3ccc(F)cc3)c2c1 13084584 YLVYQKSAFYZRRH-UHFFFAOYSA-N 445.563 5.715 0 40 IKAB Fc1ccccc1OCCSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 13108560 FCNJLVSAVZJTDI-UHFFFAOYSA-N 429.904 5.550 0 40 IKAB Cc1ccc(-c2cc(C(=O)NC3CCCCCC3)c3sc(N4CCCCC4)nc3n2)cc1 13129204 QCUGHQFYUKQGJV-UHFFFAOYSA-N 448.636 6.110 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCC2)cc1 13568278 AVWJIUHFRNOMEQ-UHFFFAOYSA-N 430.581 5.036 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)/C=C\c4ccccc4)ccc3o2)cc1Br 13633933 YKDPXECHGDEUGS-GHXNOFRVSA-N 449.304 5.918 0 40 IKAB COC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc(-c2ccccc2)c1C 13660652 QJLXNCZTQVZRSH-ACCUITESSA-N 437.517 5.179 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)[C@H]3ON2c2ccccc2)cc1 13749558 CZUDJILWSYVQCR-VJBWXMMDSA-N 432.907 5.008 0 40 IKAB COc1cccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN23)c1 13778937 NGWJHFYUNHTFHH-GGAORHGYSA-N 425.315 6.244 0 40 IKAB CCc1c(-c2ccc(OC)cc2)nn(Cc2ccc(C(=O)OC)o2)c1-c1ccc(OC)cc1 13960613 JCLXTRZSYOHYRC-UHFFFAOYSA-N 446.503 5.225 0 40 IKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1ccccc1C(F)(F)F 14137209 IZTHJVOUEAOFBJ-UHFFFAOYSA-N 435.393 5.124 0 40 IKAB CCOC(=O)c1c(NC(=O)CSCc2c(F)cccc2Cl)sc2c1CCCC2 14153309 ZFWFODLBUVNEKB-UHFFFAOYSA-N 441.977 5.468 0 40 IKAB CCCn1c(SCc2nc3ccccc3n2C(F)F)nc2cc(Cl)ccc2c1=O 14901788 WXYRJLXGTZFJRK-UHFFFAOYSA-N 434.899 5.497 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15588065 SULIOMLSBMDWEC-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1nc(-c3ccccc3)c(C(=O)c3ccccc3)s1)C2=O 16740840 ZUWPTTAYSRUNES-DWXRJYCRSA-N 444.556 5.357 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4cccc5c(Cl)cccc45)cc3)nc2c1 17095177 MTXCSCXDHINWNW-UHFFFAOYSA-N 426.903 7.171 0 40 IKAB COc1ccc(S[C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)cc1OC 20041564 KNWHHVZBHAEPMG-MRXNPFEDSA-N 425.575 5.974 0 40 IKAB CC(C)(C)n1nnnc1[C@H](c1ccc(F)cc1)N(Cc1ccccc1)Cc1ccc(F)cc1 20098719 LUVZBTBHTFNBHG-DEOSSOPVSA-N 447.533 5.498 0 40 IKAB CN(C(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)C1CCCC1 20111673 ZSNCKXVZWNRABS-UHFFFAOYSA-N 448.588 5.097 0 40 IKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)COc2c(C)cc(C)cc2C)cc1 27026481 ZBULZVUGORQLSH-UHFFFAOYSA-N 430.573 6.281 0 40 IKAB CC(C)c1noc([C@H](C)Sc2nc3ccccc3c(=O)n2-c2ccc(F)c(Cl)c2)n1 27767756 MBJQVJVCOBDOGU-LBPRGKRZSA-N 444.919 5.538 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)cc1 28224977 JAWVDCZYVADRIR-UHFFFAOYSA-N 445.361 5.002 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1cc(-c2ccc(OCC(C)C)cc2)on1)c1ccc(C)cc1 28296135 FYIFMZVSLNJTAL-VWLOTQADSA-N 449.595 5.498 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 32107178 DNTWKGMDVBSGNC-SANMLTNESA-N 446.572 5.154 0 40 IKAB COc1cccc(NC(=O)c2ccc3nc(-c4ccccc4)c(-c4ccccc4)nc3c2)c1 32647058 FAWHOINHFOEUIJ-UHFFFAOYSA-N 431.495 6.225 0 40 IKAB Cc1ccc(-c2nc(NC(=O)/C=C/c3ccccc3)sc2NC(=O)c2ccco2)cc1 35671263 CPHDSOHBXNAEJY-SDNWHVSQSA-N 429.501 5.616 0 40 IKAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2SCc1ccc(Cl)cc1Cl 41105025 NPDHQWCXXWAISB-KRWDZBQOSA-N 425.381 5.269 0 40 IKAB Cn1c([C@@H](NC(=O)COc2ccc(Cl)cc2Cl)c2ccccc2)nc2ccccc21 48310367 FTBSFIRDTDKPKR-QFIPXVFZSA-N 440.330 5.165 0 40 IKAB COc1cc(OC)cc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)c1 67258647 AROANKFDDDLCDK-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB COc1ccc(CCC(=O)N2CCC(c3cncc(-c4cccc(Cl)c4)n3)CC2)cc1 72359566 OARDWIMHXOPODP-UHFFFAOYSA-N 435.955 5.144 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 100426937 DQHZFFNZBCXZDN-GKVSMKOHSA-N 432.907 6.503 0 40 IKAB Cc1ccc(-c2cs/c(=N\C(=O)c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 100841018 LQCWYPLPMXHDFK-NFFVHWSESA-N 438.474 6.274 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(CN(c2cc(C)cc(C)c2)S(C)(=O)=O)cc1 113963239 WZFDDPBPVRUMGA-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)NCCSCc1c(Cl)cccc1Cl 222982918 YWPTUHIUTFYFSL-HXUWFJFHSA-N 426.409 5.817 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)N[C@H](C)CC)cc1 223072482 WOPDGMJGVCCCNI-MOPGFXCFSA-N 429.004 5.167 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCSc1ccccc1 223330524 GTOXHRJUZWPTDF-IBGZPJMESA-N 439.408 5.029 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2)cc1 223904665 RGEONJKIYUGPHT-LOSJGSFVSA-N 439.588 5.115 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)cc1C 223959214 QYXJBKJYVDGGJY-DEOSSOPVSA-N 436.577 5.294 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(Cc3ccco3)c2C)cc1 224196261 ZMPQAWSFEOBTEX-DQEYMECFSA-N 442.588 5.627 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1COc1ccccc1C(C)C 224229910 YQQYNNARICXSIW-UHFFFAOYSA-N 444.358 6.957 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)c1 224354223 AHDCOHWBSHMJJB-UAPYWLNTSA-N 444.531 5.086 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)(C)C)cc1 225080104 IXPGVFWBNWZHSV-SFTDATJTSA-N 438.612 5.003 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 225094748 JZECIIKGMPMVAN-MSOLQXFVSA-N 433.017 5.073 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H]3CC=CCC3)CC2)on1 257217387 CYSOJEYJVWRUJI-VAMGGRTRSA-N 436.600 5.484 0 40 IKAB Cc1c(C(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)c2ccccc2n1C 257325384 WSSSPCMMHYNNFX-QAQDUYKDSA-N 434.565 5.302 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)c1nc(-c2cnc(NCc3ccccc3)s2)n2ccccc12 306139843 UCEFXDULKJLEOH-PKOBYXMFSA-N 445.592 5.378 0 40 IKAB CCc1s/c(=N\C(=O)c2ccccc2Br)n(CC)c1-c1ccc(C)cc1 408564087 XOZUFZZZQLWEFR-LNVKXUELSA-N 429.383 5.611 0 40 IKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OC 408565803 AQBGIHRTBOBXCQ-MHWRWJLKSA-N 433.504 5.937 0 40 IKAB CCc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408697629 ITJVCNZSNJXLHJ-UHFFFAOYSA-N 434.902 5.850 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)c1 409107717 SSPBYZYWTXXEJO-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 409108107 VLLHNQKQTUGQBZ-UHFFFAOYSA-N 441.987 6.957 0 40 IKAB Cc1sc(NC(=O)CSc2nnc(-c3ccccc3Cl)o2)nc1-c1ccccc1 409153541 MAHGBYDEQFOBTK-UHFFFAOYSA-N 442.953 5.553 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C\c3ccc(-c4ccccc4)o3)C2=O)cc1 409178957 LFODUNMKOYXXRG-STZFKDTASA-N 432.501 5.184 0 40 IKAB O=C(c1ccccc1)N1CCC2(CC1)Cc1ccccc1CN(CC1CCCCC1)C2=O 1565552278 YCJKPWTWRZFNAG-UHFFFAOYSA-N 430.592 5.074 0 40 IKAB O=C(c1cccc(Nc2ncccn2)c1)N1CCC[C@H](Cc2cccc3cnccc23)CC1 2037845510 GZYKRXAPFKJXRK-FQEVSTJZSA-N 437.547 5.253 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(-c2cccnc2)n1Cc1ccccc1 900214 RDUACTDBSZRESC-UHFFFAOYSA-N 449.967 5.081 0 40 IKAB Cc1ccccc1C(=O)Oc1ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)coc2c1 1775140 UBUCAPKYQCAXOK-UHFFFAOYSA-N 434.875 6.383 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)cc2)csc1NC(=O)c1ccc(C(C)(C)C)cc1 1966399 UCFTYKIDKNABKX-UHFFFAOYSA-N 437.561 6.150 0 40 IKAB Cc1ccc(C)c(Nc2cc(-c3ccccc3)nc(-c3ccc(Br)cc3)n2)c1 2049926 VIJFQTPMTWJFCU-UHFFFAOYSA-N 430.349 6.934 0 40 IKAB Cc1ccc(-c2nc3c(c(S[C@@H](C)C(=O)Nc4ccccc4)n2)COC(C)(C)C3)cc1 2370709 ZAAORPHJHSKIMI-KRWDZBQOSA-N 433.577 5.423 0 40 IKAB C[C@@H](c1ccccc1)n1c(N)c(C(=O)NCCCc2ccccc2)c2nc3ccccc3nc21 2409543 HKNHSTRDERHVCZ-IBGZPJMESA-N 449.558 5.139 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2432320 LJHIHQBNTUFWAO-HYBUGGRVSA-N 445.559 5.432 0 40 IKAB C[C@H](CCc1ccco1)N(C)C(=O)c1ccc(COc2ccccc2Br)cc1 2729429 NYPAYGORNDDJRF-QGZVFWFLSA-N 442.353 5.714 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2758534 RGSRZFKDRJWART-KRWDZBQOSA-N 428.963 7.629 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cnn2c1N[C@H](c1ccco1)C[C@@H]2C(F)(F)F 3012876 LCFBKBPNDGPVOP-DZGCQCFKSA-N 444.335 5.408 0 40 IKAB O=C(COC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1Br 3296418 XNAVWGCZJSWLPK-OAQYLSRUSA-N 441.346 5.709 0 40 IKAB COC(=O)c1sc2nc(C)nc(SCc3nnc(-c4ccc(Cl)cc4)o3)c2c1C 3315250 HMLPFCYRTLQQOB-UHFFFAOYSA-N 446.941 5.090 0 40 IKAB CC(C)Cc1ccc([C@H](C)NC(=O)C[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1 3336742 UZOPGBATXQGZCK-LVXARBLLSA-N 428.576 5.624 0 40 IKAB CC(C)(C)c1cc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)cc(C(C)(C)C)c1 5054959 CUILLMNGEHIYTP-UHFFFAOYSA-N 425.001 6.768 0 40 IKAB COc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2cccc(C(F)(F)F)c2)cc1 6296296 KMOGPBISWLEXAU-FAJYDZGRSA-N 438.405 5.945 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1ccc(Cl)c(-c2nc3ccc(C)cc3o2)c1 8384567 OWMPSDYRTGROHL-UHFFFAOYSA-N 442.902 6.871 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)c1 8445996 VSMNQWGXARUGCA-UHFFFAOYSA-N 432.343 5.155 0 40 IKAB O=C(/C=C/c1ccc(OC(F)F)cc1)Nc1ccc(NC(=O)C2CC2)cc1C(F)(F)F 8754828 VZCKNDIYAYIHSO-XCVCLJGOSA-N 440.368 5.307 0 40 IKAB CCOc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)cc(OCC)c1OCC 8898812 CLQGSZJPFLBBOK-HNNXBMFYSA-N 428.554 5.326 0 40 IKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(Cl)c(N2CCCC2=O)c1 8899513 JPDCJQCRPOEXLT-UHFFFAOYSA-N 436.924 5.095 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21)c1ccc2c(c1)CCCC2 8921993 QEWBGICYQNFYKF-HHHXNRCGSA-N 445.946 5.226 0 40 IKAB COc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)ccc1OCc1ccc(C)cc1 8952525 VKPXDEURLYMLPJ-INIZCTEOSA-N 446.572 5.672 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnc(-c3ccco3)n2C)c2ccccc2)cc1Cl 9056750 OWAQBYXPSICMCH-LJQANCHMSA-N 438.940 5.509 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1Cl 9190441 RYWKDGPAZOJUEE-UHFFFAOYSA-N 434.967 7.002 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(Cl)c(Cl)c3)C2=O)cc1C 9259440 UEYPZLCSNDPWEV-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 9449568 ZEZKVDZTZJQCIU-RUZDIDTESA-N 432.907 5.047 0 40 IKAB CCOc1ccc(CCn2c(-c3ccc(C)cc3)nc3ccccc3c2=O)cc1OCC 9462600 JLQIBDPSZXPNKE-UHFFFAOYSA-N 428.532 5.412 0 40 IKAB CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)c1ccc(-c2ccccc2)cc1 9497867 HAPHDWJDSGBTGE-UHFFFAOYSA-N 443.572 5.827 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCc2ccc(Br)cc2F)o1 9500561 CZJWOIZOWBMTAO-SNVBAGLBSA-N 427.270 5.543 0 40 IKAB CC[C@@H](CO)n1c(SCc2csc(-c3ccc(C)cc3)n2)nc2ccccc2c1=O 9632803 PWTSGDAAMRUHSU-SFHVURJKSA-N 437.590 5.064 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)c1ccccc1SC[C@@H]1CCCO1 9739617 BSTVIZUACUPLCR-FQEVSTJZSA-N 448.592 5.195 0 40 IKAB C[C@]1(C(=O)N(Cc2ccccc2)Cc2ccccc2)CC1(Br)Br 9971467 VKYLIJKMBHFFAO-GOSISDBHSA-N 437.175 5.112 0 40 IKAB Cc1ccc(Sc2ccc(NC(=O)CCc3nc4ccccc4c(=O)[nH]3)cc2)cc1C 9986762 MRXXRNDLXXWXQE-UHFFFAOYSA-N 429.545 5.262 0 40 IKAB Cc1ccc(OCCOc2ccccc2-c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 10013416 MAOQKQYFNHAGMG-UHFFFAOYSA-N 432.545 5.297 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc(Cl)c4Cl)cc3)oc2cc1C 10120315 LSRSQABDXGRCGV-UHFFFAOYSA-N 425.315 6.348 0 40 IKAB CC(C)C(=O)N1c2ccccc2[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)C[C@H]1C 10153177 SJJGTAKHHUYIRA-NLFFAJNJSA-N 448.588 5.404 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(OC(C)C)c1)N(c1nccs1)C3=O 10233178 HKQRZIZWNSWIDI-OAQYLSRUSA-N 446.528 5.403 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3ccc(Cl)cc3Cl)c2C)cc1 10314546 LCJVHGQDKPWDSF-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CN(C)CCCN(C(=O)CSc1ccc(Cl)cc1)c1nc2c(F)cccc2s1 12342182 OKUALXCXSVNPCJ-UHFFFAOYSA-N 437.993 5.166 0 40 IKAB CC[C@@H](NC(=O)Cn1c(-c2cncs2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12418755 RZVMPQWJXIKDEQ-DRQCUQGNSA-N 434.609 5.271 0 40 IKAB Cc1cccnc1NC(=S)N=P(N1CCCCCC1)(N1CCCCCC1)C(C)(C)C 12524540 SBBPKDFZARDHND-UHFFFAOYSA-N 449.649 6.669 0 40 IKAB COc1ccc([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)cc1OC 12559615 BNMNRJHNGJKUEN-HSZRJFAPSA-N 443.528 5.236 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3ccccc3)cc2c1 12644042 UOCOHEVPIWDDIQ-UHFFFAOYSA-N 430.935 5.587 0 40 IKAB C[C@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Br)cc1 12767008 KSYSWTDZTZJDST-AWEZNQCLSA-N 443.366 5.278 0 40 IKAB COc1ccc2nc(/C=C/c3csc(N(C(C)=O)c4cccc(C)c4C)n3)sc2c1 12783751 LDOKHOKZOWPFDE-DHZHZOJOSA-N 435.574 6.233 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(Nc2ccc(OC(F)(F)F)cc2)s1 13098410 LZJPZRASLCBUEO-VXGBXAGGSA-N 446.520 5.062 0 40 IKAB CCn1c(S[C@H]2C[C@H](C)OC2=O)nnc1-c1cc(-c2ccc(C)cc2)nc2ccccc12 13127014 NNHYSSVJYGBLAH-AOMKIAJQSA-N 444.560 5.285 0 40 IKAB Cc1ccccc1C(=O)N1CCc2cc(-c3nc(NC4CCCCC4)sc3C)ccc21 13564917 HJQFMICLQOJEPW-UHFFFAOYSA-N 431.605 6.374 0 40 IKAB Cc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)cc1S(=O)(=O)Nc1cccc(C)c1C 13675759 BGYXSHICSCWPOK-SFHVURJKSA-N 434.561 5.004 0 40 IKAB Cc1ccc(C2=NN(C(=O)CCCC(=O)O)[C@H](c3cc4ccccc4nc3Cl)C2)cc1 13785942 CYJSWKHRWUTEKX-NRFANRHFSA-N 435.911 5.129 0 40 IKAB O=C1OC(c2cccc3ccccc23)=N/C1=C\c1ccc(-c2ccc(Cl)cc2Cl)o1 13786117 QUHMVBBGDIYJNQ-BKUYFWCQSA-N 434.278 6.751 0 40 IKAB C[C@H]1CCc2sc(-c3nnc(S[C@@H](C)C(=O)Nc4ccc(Cl)cn4)o3)cc2C1 14184809 NEEZFOATUCOYHA-QWRGUYRKSA-N 434.974 5.091 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c1 16348565 WLIARWRFCDBCKP-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB O=C(NCCN(C(=O)Nc1cccc(Cl)c1)c1ccccc1)Nc1cccc(Cl)c1 16487784 HPFJMOGFGREFHR-UHFFFAOYSA-N 443.334 5.854 0 40 IKAB CCOCCCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 16687991 CCVYFDDCYWUANJ-UHFFFAOYSA-N 440.353 5.082 0 40 IKAB CCc1cccc(C)c1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 17098347 OAVSYFOOIQIWSS-UHFFFAOYSA-N 433.360 6.251 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C1=N/C(=C\c2cc(Cl)cc(Cl)c2O)C(=O)O1 17122384 OUPLSFAPONKZAR-CHHVJCJISA-N 449.677 5.660 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)c1 19638869 XBHCXQBUVRNYQF-UHFFFAOYSA-N 443.572 6.164 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3ccc(Cc4cccc(F)c4)cn3)C2)cc1 19690343 SQKVALLCMVQRRQ-XMMPIXPASA-N 432.539 5.368 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)Cn3cnc4ccccc43)cc2)O[C@@H](C(C)C)C1 19711872 QICJFQQTOIMQLP-RCXJIHSJSA-N 448.611 5.262 0 40 IKAB CCCCOC(=O)c1ccc2nc(NC(=O)c3cc4ccccc4cc3OC)sc2c1 20411486 BZMKVWCNBZOGTO-UHFFFAOYSA-N 434.517 5.667 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3=CCCCC3)cc2Cl)cc1 20481030 NZKQZRSVBQRHIZ-UHFFFAOYSA-N 432.973 5.070 0 40 IKAB CC[C@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1Cl)c1ccc(C)cc1 20487495 RZFJRQLFSKUETF-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB CCSC1=NC2(CCN(C(=O)Nc3ccccc3C)CC2)N=C1c1ccc(C)c(C)c1 20578450 IURZEBWJOFBLSS-UHFFFAOYSA-N 434.609 5.590 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1 20610488 CBJAZYRMXQWHMN-UHFFFAOYSA-N 425.319 6.103 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(O[C@@H](C)CC)c4)cc3n2)cc1 20611238 AQYNKCYIQHSXDC-SFHVURJKSA-N 428.536 5.721 0 40 IKAB C[C@@H](NC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccc(Br)cc1 21407470 GBERMSYFCKDADZ-CYBMUJFWSA-N 433.733 5.568 0 40 IKAB COc1ccc([C@@H](C)NC(=O)CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1F 24957497 JHOSOMGLQLYBLP-GOSISDBHSA-N 444.506 5.966 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)Nc4nc(C5CC5)cs4)cc3)ccc12 25558065 BPZXLPABZMRXKW-UHFFFAOYSA-N 432.501 5.267 0 40 IKAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)cs1 27531090 SRKIRIWTUZSWSJ-UHFFFAOYSA-N 435.318 5.346 0 40 IKAB CCCCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3C)c3ccccn23)cc1 27987345 VJFROWIJZDMECV-UHFFFAOYSA-N 441.531 5.492 0 40 IKAB O=C(NC[C@@H](c1ccc(Cl)cc1)N1CCCCC1)c1cc(=O)c2cc(Cl)ccc2o1 28288487 YJNLJCSFWDGILQ-IBGZPJMESA-N 445.346 5.057 0 40 IKAB Cc1cccc(CS(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 30859188 NEILDNXXHGCISO-UHFFFAOYSA-N 436.577 5.487 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)cc1 30940213 BXPBBSZYBHZIKL-UHFFFAOYSA-N 431.374 5.087 0 40 IKAB CC(C)Oc1cccc(NC(=O)C2CCN(Cc3ccc(Br)cc3)CC2)c1 30940386 IGJMMWPBMYCLCS-UHFFFAOYSA-N 431.374 5.087 0 40 IKAB COc1ccc(-c2noc(COc3ccccc3C(=O)Nc3ccccc3Cl)n2)cc1 33012956 MQPORJFLKFWMNH-UHFFFAOYSA-N 435.867 5.230 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2ccc(Br)cc2)cc1OC 33782992 PKMFEBNTLOGPHF-UHFFFAOYSA-N 443.135 5.261 0 40 IKAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCC[C@@H](C)C3)cnc2n1 49005378 XVVCIRNZLQBWTD-CQSZACIVSA-N 439.357 5.316 0 40 IKAB Cc1ccccc1NC(=O)c1cn(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)cn1 49422223 AQGDFTDRKYLERH-UHFFFAOYSA-N 444.922 5.398 0 40 IKAB O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 67295067 MVHRICGQDFFXEX-DAFNUICNSA-N 438.256 5.214 0 40 IKAB Cc1noc2c1[C@@H](c1ccc(Cl)cc1Cl)C1=C(O)C[C@H](c3ccccc3)CC1=N2 102731582 YWUHXCWFBDRRAC-SPLOXXLWSA-N 425.315 6.898 0 40 IKAB ClC1=C(Cl)[C@@]2(Cl)[C@@H]3[C@@H]4C[C@@H]([C@H](c5ccccc5)C4)[C@H]3[C@@]1(Cl)C2(Cl)Cl 104091528 YHGCWRHZHLHVPR-YNRDHDQTSA-N 443.028 6.888 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3)C2=O)cc1OC 106688386 UJOPCFMIUSTNTR-MOSHPQCFSA-N 431.941 5.764 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](CC)Oc2cccc3ccccc23)sc2c1CCCC2 216273703 PHLRQHCPGOCNHE-IBGZPJMESA-N 437.561 5.753 0 40 IKAB CCOC(=O)c1cccc(NC(=O)COc2ccc3ccccc3c2Br)c1C 218905940 XINUCXVWGXFWOB-UHFFFAOYSA-N 442.309 5.105 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 222704140 OEKIKZITWVHDCG-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 222918125 PGXOKZONSATEJQ-GOSISDBHSA-N 429.004 5.124 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n(-c2ccccc2)c1C 223121277 YAEUCZMUXWIDFL-CLJLJLNGSA-N 444.648 6.103 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(OC)c(COc2ccccc2C(C)(C)C)c1 224175380 HOSYLIVZPZAIFD-UHFFFAOYSA-N 445.603 6.949 0 40 IKAB O=C(O)c1cccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)c1 224181905 ZMDGLQYHTLMKSP-XZOQPEGZSA-N 441.512 5.217 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCC3)c2)cc1 224384220 IUZRSWNDDXYLNV-DQEYMECFSA-N 430.621 6.299 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 224564899 YWVBPXMYPIJXJQ-UHFFFAOYSA-N 440.908 5.448 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)o1 224657778 NGWOXTQWOJGRCA-JWQCQUIFSA-N 441.556 6.261 0 40 IKAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3C)cc2)[nH]1 224688892 BZUBPUASDUAURV-JWQCQUIFSA-N 440.572 5.996 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c(C)c1 225055739 WTQCSOIMYLXZKN-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOC(=O)CN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc2ccccc2c1 225064681 SVFOOJPNKMGQGJ-UHFFFAOYSA-N 445.540 5.265 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(Br)c2nc(N)sc2c1 226314226 AZNRKWMWDJQZKF-UHFFFAOYSA-N 428.311 5.055 0 40 IKAB O=C1Oc2ccc(Cl)cc2[C@@H]2c3sc(=O)[nH]c3S[C@@H](c3ccc(Cl)cc3)[C@@H]12 253618428 JPPPXYICMMZYFE-KKUMJFAQSA-N 436.341 5.257 0 40 IKAB COc1ccc(C(=O)c2cc(-c3nc(-c4cc(C)ccc4C)cs3)c3ccccn23)cc1 257173248 HOUYAWZMHAJNPU-UHFFFAOYSA-N 438.552 6.586 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Cl)c(-c3nc4ccccc4s3)c2)cc1 257231917 GIRIITKFVVCUAJ-UHFFFAOYSA-N 442.949 5.273 0 40 IKAB CCOc1c(Br)cc([C@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1OC 408554208 BWBXJVZOGUGVBQ-GOSISDBHSA-N 442.762 5.288 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2Cl)ccc1OCC(=O)Nc1cccc(C)c1 408610695 RLUBIQXJTMJIOT-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OCc1cccc2ccccc12 408611056 PWOWDPFFYBISNU-UHFFFAOYSA-N 427.500 6.128 0 40 IKAB O=C(O)/C(=C/c1ccc(OCc2cccc(C(=O)O)c2)cc1)Sc1nc2ccccc2o1 408633746 LYRCTBRNDOQMOK-BKUYFWCQSA-N 447.468 5.323 0 40 IKAB CCCCSc1nc2ccc(NC(=O)c3ccccc3C(=O)N3CCCC3)cc2s1 408751039 VRBQOBHAVPZGEV-UHFFFAOYSA-N 439.606 5.677 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1ccccc1Cl 408828340 DQKVYDDTNGOBNL-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1-c1ccc(Cl)cc1 409097883 MUUPAJPUKGJSKC-UHFFFAOYSA-N 427.744 5.267 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 409106917 PDROCHHNUBYAQT-PMACEKPBSA-N 448.636 5.302 0 40 IKAB CCOc1ccc(NCc2cc(Cl)c(OCc3cccc(F)c3)c(OCC)c2)cc1 409115166 IWTAWRAVEVVXNJ-UHFFFAOYSA-N 429.919 6.468 0 40 IKAB CC[C@@H](C)Oc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Cl 409141355 JKRKTMKYEYOQRG-GXPOEHQZSA-N 429.969 6.186 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)O[C@@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1 409177295 CSZXPNIMWWFEPE-MUUNZHRXSA-N 436.507 6.355 0 40 IKAB O=C1N/C(=C\c2ccccc2OCc2ccc3ccccc3c2)C(=O)N1Cc1ccccc1 409205873 PXWXPISWOKISDS-UQQQWYQISA-N 434.495 5.512 0 40 IKAB COc1ccc(NCc2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)c(Cl)c2)cc1 409265108 NRZZXSKXHUUWDS-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB CC(C)[C@@H]1C[C@@](CCNCc2ccc3c(c2)OCO3)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524734858 FPOYKKRDKDJKOG-UQWUFBTJSA-N 441.587 5.832 0 40 IKAB O=C(COc1cccc(Cl)c1)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 585100328 CHRJFGUBEFMANW-XMMPIXPASA-N 448.941 5.044 0 40 IKAB CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1223817 UGDNYZXZWZXUFS-UHFFFAOYSA-N 447.560 5.227 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C(c2ccc(Br)cc2)C[C@@H]1c1ccco1 1310398 DTZVTNPIBQEXSN-GOSISDBHSA-N 429.701 5.687 0 40 IKAB COc1ccc2cc(CN(CCc3ccccc3)C(=O)c3ccccc3Cl)c(=O)[nH]c2c1 1366721 PQTHIQMBBQUPBT-UHFFFAOYSA-N 446.934 5.075 0 40 IKAB Clc1ccc(-c2nc(-c3ccccc3)[nH]c2-c2ccc(Cl)c(Cl)c2)cc1Cl 1661302 QLUGCUNEFUUMDM-UHFFFAOYSA-N 434.153 8.024 0 40 IKAB CC[C@H](C)c1ccccc1NC(=S)NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 1838021 IENKWVXXMRTHSD-ZDUSSCGKSA-N 447.387 6.894 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C)sc2c1CC[C@@H](CC)C2 2082288 CNZJIEDZVLOXBF-CQSZACIVSA-N 435.973 5.419 0 40 IKAB Cc1ccc([C@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(c4ccc(C(C)C)cc4)C(=O)N32)cc1 2112151 FCNNEOBGLKPFGC-BDYUSTAISA-N 449.554 6.083 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2cccc(Cl)c2)CO4)cc1 2116937 ULLICGTVAUKDTH-UHFFFAOYSA-N 433.891 5.787 0 40 IKAB biogenic Cc1cc(C)cc(-n2c(N)c(C(=O)Nc3cc(C)ccc3C)c3nc4ccccc4nc32)c1 2371740 NCYDRPRAGARARM-UHFFFAOYSA-N 435.531 5.642 0 40 IKAB COc1ccc(C(=O)N[C@H](CCSC)c2nc3ccccc3n2Cc2ccccc2)cc1 2376989 ZUYBAFBQZTUBHN-HSZRJFAPSA-N 445.588 5.317 0 40 IKAB COc1ccc(-c2nc(NC(=O)c3sc4cc(F)ccc4c3Cl)sc2C)cc1 2620830 BJGAIFQOZSQTJP-UHFFFAOYSA-N 432.929 6.387 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)C(c3ccccc3)c3ccccc3)n2)c1 2628778 JXCACHMISXLJID-UHFFFAOYSA-N 430.529 5.598 0 40 IKAB Cc1c(Cl)cccc1NCN1C(=O)S/C(=C\c2c(Cl)cccc2Cl)C1=O 3067939 UNDQFAKGKRRGGE-PXNMLYILSA-N 427.740 6.061 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(Cl)cc1Cl 3320169 OFGOHSSKPNKNND-UHFFFAOYSA-N 432.687 5.796 0 40 IKAB Cc1ccc(C)c(-n2c(SCC(=O)NCC(C)C)nnc2-c2cccc(Cl)c2)c1 3344216 XFBHWEYTNZPTJL-UHFFFAOYSA-N 428.989 5.069 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CCCCC1)N1CCc2ccccc21 3347955 JCBRTUMXQPRDHZ-UHFFFAOYSA-N 438.622 5.117 0 40 IKAB Cc1ccc([C@H](NC(=O)Cc2c[nH]c3ccccc23)C(=O)Nc2ccc(C(C)C)cc2)cc1 3615507 YXEJCZYQMDRJOZ-MHZLTWQESA-N 439.559 5.638 0 40 IKAB CC[C@@](C)(NC(=O)C(C(F)(F)F)C(F)(F)F)P(=O)(OCC(C)C)OCC(C)C 4207800 DKJVNZLMPKHYIW-AWEZNQCLSA-N 443.365 5.508 0 40 IKAB Cc1ccc(N=[P@](c2c(C)nn(-c3ccccc3)c2C)(N2CCCC2)C(C)(C)C)cc1 5682960 XLHFKNQBXCXEGZ-WJOKGBTCSA-N 434.568 6.765 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)OC3CCCCC3)n2-c2cccc(Cl)c2)c1 6442746 LGGWVHLVXCAAEQ-UHFFFAOYSA-N 441.984 5.864 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3ccc(C)cc3)c2c1 6844235 PRZIQAMBNBAJBZ-UHFFFAOYSA-N 431.536 6.038 0 40 IKAB Cc1ccc(-c2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)nc2-c2ccc(C)cc2)cc1 8384619 AYAULFGKPYNHFM-UHFFFAOYSA-N 440.590 8.378 0 40 IKAB CCCCCCOc1ccc(OS(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3)cc1 8735687 UQTNCKUZIPQKGC-UHFFFAOYSA-N 425.506 5.132 0 40 IKAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCN(C(=O)Nc2ccccc2)C1 8848063 RPESGGLWOMMCMK-SFHVURJKSA-N 437.927 5.160 0 40 IKAB O=C(CSc1nnc(-c2cccs2)o1)N1c2ccccc2OC[C@H]1c1ccccc1 9254821 PNTQHAPEPWXHHI-KRWDZBQOSA-N 435.530 5.057 0 40 IKAB COCc1nn2c(C(F)(F)F)cc(-c3ccc(OC)cc3)nc2c1-c1ccc(OC)cc1 9261102 OFJCNKNTEFSFQF-UHFFFAOYSA-N 443.425 5.246 0 40 IKAB Cc1[nH]c(S[C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)nc1Cc1ccccc1 9378325 NLBTZGIWCQLTQO-IBGZPJMESA-N 427.573 6.095 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)COc2cccc(C)c2C)c1 9387221 YKAOYVWNXVDZHV-NRFANRHFSA-N 430.548 5.431 0 40 IKAB O=C(c1nc2ccccc2s1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1 9525499 DDXGYJSHUHRRIE-UHFFFAOYSA-N 437.496 6.031 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3[nH]2)CC1)Nc1cc(C(F)(F)F)ccc1Cl 9713610 GZRZIFFWIIPTLV-UHFFFAOYSA-N 436.865 5.053 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nc(C2CC2)n(-c2ccccc2)n1 9790672 GKPUQZBEMOMFHM-OAHLLOKOSA-N 449.605 5.066 0 40 IKAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9836299 CAJPVGBGLNHTAY-SFHVURJKSA-N 446.528 5.695 0 40 IKAB CCOc1cccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2Cl)c1 9846194 IDGLTQPVHKDSJH-UHFFFAOYSA-N 434.923 6.923 0 40 IKAB CCc1ccc(NCc2c(OCc3ccc(Br)cc3)ccc3ccccc23)cc1 9849548 UKPNFZRCEQIONE-UHFFFAOYSA-N 446.388 7.356 0 40 IKAB O=C(CSc1nnc(-c2cccs2)o1)N(Cc1ccc(F)cc1)C1CCCCC1 9951184 FAFCUIZKASXTPB-UHFFFAOYSA-N 431.558 5.391 0 40 IKAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccc(OCc2ccccc2)cc1 10060189 SHPJQBCCFWJVJY-DEOSSOPVSA-N 425.488 5.077 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)COc1ccccc1 10245816 LAUWUYINSLXYHY-UHFFFAOYSA-N 430.460 5.101 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2)s1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12273864 ZVDQIOTTXNSNQS-HSZRJFAPSA-N 440.524 5.440 0 40 IKAB C[C@H](Sc1nnc2c(n1)[C@]1(C)CC[C@H]2C1(C)C)C(=O)N(c1ccccc1)c1ccccc1 12488025 UTSDCHSVMLISRD-PMZDYUJOSA-N 444.604 5.892 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2c(C)cccc2C)cc1 13026646 VBJIEPQWOOMZKI-VWLOTQADSA-N 446.547 5.352 0 40 IKAB COc1ccc(OC)c([C@@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)c1 13306256 DFNUKLWOIVJRSG-QHCPKHFHSA-N 443.528 5.236 0 40 IKAB O=C(Nc1cc(-c2cccc(Cl)c2)nn1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 13370388 VESYRDARDNRWIX-UHFFFAOYSA-N 431.967 6.348 0 40 IKAB Cc1sc2nc(C(C)C)n3c(SCC(=O)c4ccc(Cl)cc4)nnc3c2c1C 13499965 HJGMVWQNNLQKLR-UHFFFAOYSA-N 430.986 5.708 0 40 IKAB CC(C)(C)c1ccc(OCc2nnc(NC(=O)c3ccc(Cl)c(Cl)c3)s2)cc1 13569606 JAWKEDAJZDMBHQ-UHFFFAOYSA-N 436.364 5.974 0 40 IKAB CCCN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc(-c4ccccc4)cc3)=NN12 13584350 USRCHPQBGWNFGB-HHHXNRCGSA-N 437.587 6.099 0 40 IKAB COc1ccc([C@H](CNC(=O)c2ccccc2-c2ncc(-c3ccccc3)o2)N(C)C)cc1 14183331 KNUQPYSUSIYRQG-DEOSSOPVSA-N 441.531 5.050 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCCOc1ccc(Cl)cc1)c1ccccc1 14400780 ZQAXIFMOJVIWLH-GOSISDBHSA-N 436.939 5.629 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N3CCCCC3)nnc2-c2cc3ccccc3o2)cc1 15018938 JFKMLJSZAVXEDW-UHFFFAOYSA-N 432.549 5.094 0 40 IKAB CC(C)(C)c1ccc(CN(Cc2ccco2)C(=O)c2cc(-c3ccc(Cl)cc3)on2)cc1 15669801 QHVMJHUNHGCNKS-UHFFFAOYSA-N 448.950 6.728 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cc(NC(=O)COc4ccccc4C)ccc3Cl)nc2c1 16610585 MWPISIPTLPTHJY-MRXNPFEDSA-N 448.950 6.988 0 40 IKAB CSCC[C@H](NC(=O)Cc1csc(-c2ccc(C)cc2)n1)c1nc2ccccc2[nH]1 16645858 GTRHHUCOSCOYPH-FQEVSTJZSA-N 436.606 5.148 0 40 IKAB COc1ccc([C@@H](C)NCC(=O)N(Cc2ccco2)C2=CCCCC2)cc1Br 16695675 AVYREQUHAFEWKR-MRXNPFEDSA-N 447.373 5.188 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1ccc(Br)cc1 18832815 VHLYSXSKFCMHHU-UHFFFAOYSA-N 434.721 5.205 0 40 IKAB CCOc1cc(CN[C@@H](C)c2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1 22784123 WTLTXOALKRTCNW-SFHVURJKSA-N 438.955 5.607 0 40 IKAB CCCCn1c(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs/c1=N\c1ccccc1 26688708 RUWPFYWCJVGJKB-VHXPQNKSSA-N 441.622 5.034 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 32116791 UIUNYFIMUZAWJB-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB CSc1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2Cl)n[nH]1 32954381 YKZFGDNMPHZMKK-UHFFFAOYSA-N 425.366 5.231 0 40 IKAB CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4cccc(Cl)c4)no3)nn2)cc1 33022197 UZJWLCLVEMMBFD-UHFFFAOYSA-N 436.968 6.338 0 40 IKAB COc1cccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N[C@H](C)c4ccccc4)c3N2)c1 36057958 LQVVRETYJPAIQE-VOBQZIQPSA-N 444.457 5.043 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 38834716 ULAGYQFSEKWLAU-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)c1sc(-c2ccc(F)cc2)nc1C 58111912 JSIOCEUSNBILDZ-UHFFFAOYSA-N 425.529 5.204 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccsc3c(=O)n2-c2cccc(C)c2C)c1 67217213 DZIMTNWJIXOCOC-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB CCCCOc1ccc(-c2cc3c4nnc(SCc5ccccc5F)n4ccn3n2)cc1 67260689 LRZVHNHUYNKANW-UHFFFAOYSA-N 447.539 5.654 0 40 IKAB COc1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn(CC(C)C)c(=N)c32)cc1OC 101166647 HQYDOCULSQZABA-QHCPKHFHSA-N 441.531 5.475 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C 102694038 JTNIFZSWZPIHRK-DNVJHFABSA-N 432.907 5.008 0 40 IKAB Cn1/c(=N\C(=O)c2oc3ccccc3c2CSCc2ccccc2)sc2ccccc21 103040176 BIZHCUPRRQNLQM-OCEACIFDSA-N 444.581 6.161 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@H]1C[C@H]2CC[C@H]1C2 103159530 ZEEBCJUOMAGHTR-PBWTXFEYSA-N 427.504 5.704 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222677665 PXZNAKGIVXEALR-SFHVURJKSA-N 447.044 5.214 0 40 IKAB C[C@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)CCCC2 222904071 KANMEBYSAUJOOI-SFHVURJKSA-N 436.020 7.002 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3ccccc3Cl)CC2)c2ccccc2O1 223126069 LUURZCIZGCHNBN-HSZRJFAPSA-N 441.015 5.751 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)cc1C 223808924 TZJGAEPKBYYABK-JOCHJYFZSA-N 445.003 5.059 0 40 IKAB COc1ccc(C(=O)NCc2ccc(Cl)cc2Cl)cc1COc1ccc(C)c(C)c1 224286380 LYMKFLCJXYXSAL-UHFFFAOYSA-N 444.358 6.128 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224411688 PYOZJWYJWFEZNA-DHIUTWEWSA-N 449.938 6.311 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1Cl 224911761 PRFNWEUTRFWDKP-CQSZACIVSA-N 441.786 5.133 0 40 IKAB CCOc1ccc(-c2noc(CN(C)C(=O)CCc3ccc(Cl)cc3Cl)n2)cc1 225381453 NOBQDEWNPQZHFC-UHFFFAOYSA-N 434.323 5.033 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)C)cc1C 225625549 FLXXOEXIIBTDQC-QGZVFWFLSA-N 435.395 5.095 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 225629620 IJZDFIVTFBIZEB-XXBNENTESA-N 445.003 5.221 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccccc2Br)o1 227145677 QKQUVHXPLMRASB-VQHVLOKHSA-N 431.717 5.905 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1NC(=O)c1ccc(C)cc1 408557473 MYGKUOOJEUEYOY-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cc(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3C)C2)cc(C)c1Br 408640893 KEKQPIUBEFFTAU-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3cc(Cl)c(Br)cc3C)CC2=O)c1 408645034 UGJUPFYDKIRKNI-AWEZNQCLSA-N 435.749 5.019 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2ccc(C)cc2)cc1 408696705 BIZABKABUABDMK-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1C 408699079 RIWYFXYWEYEEHR-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(/C=C2\S[C@H](Nc3ccc(CC)cc3)NC2=O)cc1Br 408782483 JDJDIZXFKITPHQ-JKALPCAWSA-N 433.371 5.010 0 40 IKAB O=C(Nc1sc2c(c1C(=O)Nc1ccc(Cl)cc1)CCCC2)c1ccc(F)cc1 409059952 ZDAUCYQOGUXRSK-UHFFFAOYSA-N 428.916 5.924 0 40 IKAB CCOc1c(I)cc(CNc2cccc(Cl)c2C)cc1OC 409114424 JNMKRTVHIUQYQN-UHFFFAOYSA-N 431.701 5.272 0 40 IKAB CCN(CC)CCOc1ccc(/C(=C(\Cl)c2ccc(Cl)cc2)c2ccccc2)cc1 504610299 DGYJRRRBRZXBGM-QPLCGJKRSA-N 440.414 7.216 0 40 IKAB in-vitro CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(CC[C@H](C)c2ccccc2)CC1 585166184 NRQCZAVCTVUCSD-QHCPKHFHSA-N 441.619 5.313 0 40 IKAB Cc1ccc(CN2CC[C@H](c3nc(C)c(CC(=O)Nc4ccccc4F)c(C)n3)C2)cc1C 1848351830 VLEMFHFZGRIQHO-QFIPXVFZSA-N 446.570 5.020 0 40 IKAB COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc2c(c1)OCO2 680178 FFINQIADAZZAMM-UHFFFAOYSA-N 443.571 5.839 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 786606 BUFUREVKUZXQEC-VWLOTQADSA-N 432.545 5.112 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](C)Oc1ccc(C(=O)Nc2ccc(OC)cc2)cc1 937760 UHOHZBXNANLBIP-GOSISDBHSA-N 432.520 5.224 0 40 IKAB Cc1ccc(NC(=O)N(O)[C@H]2N(c3ccc(C)cc3)C(=O)N(C3CCCC3)C2(C)C)cc1 1278391 VJEBRRFJUZARAN-JOCHJYFZSA-N 436.556 5.516 0 40 IKAB COc1cccc(NC(=O)c2sc3nc4c(c(-c5ccco5)c3c2N)CCCCC4)c1 1293629 GBYCHDQQONXNFO-UHFFFAOYSA-N 433.533 5.668 0 40 IKAB OC(c1ccc(-c2ccccc2)cc1)(c1ccc(-c2ccccc2)cc1)[C@]1(O)CC=CCC1 1585514 VEQUNRUINVXWLL-PMERELPUSA-N 432.563 6.728 0 40 IKAB Cc1cc(C)c(C(=O)O[C@@H](c2ccccc2)[C@H](c2ccccc2)N2CCCCC2)c(C)c1 1720316 WMVITKWUIQLBGX-NSOVKSMOSA-N 427.588 6.737 0 40 IKAB Cc1ccc(-c2c(C)sc3ncn(CC(=O)Nc4ccccc4C(C)C)c(=O)c23)cc1 1942738 ZURJPHXLBIREPP-UHFFFAOYSA-N 431.561 5.504 0 40 IKAB Cc1cccc2c1N(C(=O)c1ccc(C(C)(C)C)cc1)C(C)(C)c1ssc(=S)c1-2 2062573 XVBOUAMHXMDEQD-UHFFFAOYSA-N 439.671 7.708 0 40 IKAB CCOc1ccc(C(=O)N2c3ccc(Cl)cc3-c3c(ssc3=S)C2(C)C)cc1 2080258 GZFYTACMCUIZED-UHFFFAOYSA-N 448.034 7.154 0 40 IKAB CCCCSc1nnc2c(n1)O[C@@H](c1cc(Cl)c(O)c(OC)c1)Nc1ccccc1-2 2085477 QFNYEOQLUGYYSF-IBGZPJMESA-N 444.944 5.302 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc3ccc(F)cc3s2)o1 2200520 VSORMYANUPOQHR-LJQANCHMSA-N 432.432 5.193 0 40 IKAB Nc1c(C(=O)Nc2cccc(F)c2)c2nc3ccccc3nc2n1CCC1=CCCCC1 2291179 UTOPXYZRMRTIEG-UHFFFAOYSA-N 429.499 5.449 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F)N1CCCCCC1 2474673 NNYZHYNXLTWYPL-CABCVRRESA-N 426.870 5.213 0 40 IKAB CCN(CC)C(=O)CSc1nc(-c2ccc(OC)cc2)nc2c1Cc1cc(C)ccc1O2 2688067 PAGZFRKZHWXAES-UHFFFAOYSA-N 449.576 5.118 0 40 IKAB CC[C@@H](Oc1ccccc1)C(=O)Nc1sc2c(c1C(=O)OC)CC[C@@H](C(C)(C)CC)C2 2741612 WCPAZWGRICLSIZ-VQIMIIECSA-N 443.609 5.872 0 40 IKAB CC(=O)c1sc(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)nc1-c1ccccc1 3166184 CZJXAIZZZOPQGV-UHFFFAOYSA-N 449.535 6.480 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2nc3ccccc3s2)cc1 3250475 ZUGRFWBMETZZCQ-UHFFFAOYSA-N 449.557 5.288 0 40 IKAB CCCCOc1ccc(C(=O)Nc2c(C(=O)c3ccc(OC)cc3)oc3ccccc23)cc1 3655439 MLCMNNPKUCHXNM-UHFFFAOYSA-N 443.499 6.104 0 40 IKAB O=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)C[C@@H](c3ccccc3)Sc3ccccc3N12 8385784 QRYJUSMKRBSNCZ-YIKNKFAXSA-N 449.575 6.613 0 40 IKAB Cc1ccc(C2=N/C(=C\c3cccc(Br)c3)C(=O)N2Nc2ccccc2)cc1 8387466 ALDUBFWEWADGIC-QNGOZBTKSA-N 432.321 5.415 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 8812533 QTQJLMPIDJYALS-UHFFFAOYSA-N 431.945 5.427 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)cc1 8832268 ZBNPXKZUCRWIKY-FMIVXFBMSA-N 444.314 6.472 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Br)cc2)o1 8844262 HXVZJFQXSGFRAY-AWEZNQCLSA-N 440.363 5.196 0 40 IKAB CC1([C@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](O[C@@H]6CCCCO6)CC[C@]5(C)[C@@H]4CC[C@]23C)OCCO1 8918223 DNWMPSZEZKPTQK-LVZZVDRSSA-N 444.656 6.240 0 40 IKAB biogenic CSc1ccc([C@H]2Nc3ccccc3C(=O)N2c2ccc(N3CCOCC3)cc2)cc1 8991483 VHPDCYGDNBOWQQ-DEOSSOPVSA-N 431.561 5.016 0 40 IKAB CCCC(=O)N(c1ccc2oc3c(c2c1)CCCC3)S(=O)(=O)c1ccc(Cl)c(C)c1 9030649 RTUGQFVVHUILCT-UHFFFAOYSA-N 445.968 5.795 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc(-c3ccccc3)nn2C(=O)c2cccs2)c1 9057305 OFXYUALXPWMSFX-UHFFFAOYSA-N 448.573 5.043 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccoc3C)n2-c2ccccc2)c1C 9207159 ZQRIMWZNSIHLEA-QGZVFWFLSA-N 448.548 5.347 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(Oc2ccccc2)cc1 9461915 PIOHOGWQWQBQPL-HNNXBMFYSA-N 435.480 5.787 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)CCCC(=O)Nc3ccc(OC)cc3)ccc21 9763763 PUOXGKCSVSVWLD-UHFFFAOYSA-N 429.520 5.571 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCC(=O)Nc2ccc3c(c2)CCC3)nnc1-c1cccnc1 10021538 WOYHKAGYIMSXER-HTAPYJJXSA-N 447.608 5.311 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10540917 VWZVHPRZQLRSFQ-DEOSSOPVSA-N 437.499 5.196 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1cc(C)on1)C3=O 11614343 VHLURMXGYVJZBF-JOCHJYFZSA-N 428.488 5.445 0 40 IKAB COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(F)cc4)o3)s2)cc1 11666874 FXGQJWWFXMMJIG-UHFFFAOYSA-N 436.508 5.713 0 40 IKAB c1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc3noc(-c4ccccc4)c3c2)cc1 12292813 JPBCLNCLFGEBPW-GGXMVOPNSA-N 443.506 6.737 0 40 IKAB O=C1c2n[nH]c(-c3ccc(F)cc3)c2[C@@H](c2ccco2)N1CCc1c[nH]c2ccccc12 12323639 SXQDVTHFDGKUSF-XMMPIXPASA-N 426.451 5.078 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCN(c3cccc(Cl)c3)CC2)c1 13038001 XEGXIACYQLFRJI-VWLOTQADSA-N 433.983 5.459 0 40 IKAB CN(C)c1ccc([C@H](CNC(=O)Cc2cccc3ccccc23)c2c[nH]c3ccccc23)cc1 13098969 VDZFCBYHPBGMQH-MHZLTWQESA-N 447.582 5.878 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccccc1OCc1ccccc1 13687122 LFOKAIASHGBQKC-UHFFFAOYSA-N 439.580 7.119 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OCCOc1ccc(C)cc1C 13894766 KHKHGFLOAYERGR-JWGURIENSA-N 443.499 5.114 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1 15011279 FGIYTYWROSSJSH-HKWRFOASSA-N 428.642 5.720 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1Cl)Nc1ccc(C(F)(F)F)cc1 15825509 ARPOTAGAZFCWHB-UHFFFAOYSA-N 425.863 5.334 0 40 IKAB Cc1ccc(C)c(NC(=O)NC[C@H]2C[C@@H](CNC(=O)Nc3cc(C)ccc3C)C2(C)C)c1 16291016 CQYUGFXDMAIPDA-OYRHEFFESA-N 436.600 5.526 0 40 IKAB COc1cccc(CN[C@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 16576205 OTSCNXVZDJEXKJ-PYMPDBRZSA-N 440.027 6.622 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)OCc1ccc(-c2cccc(Cl)c2Cl)o1 19644173 QXMKZLJCEGCCEO-UHFFFAOYSA-N 446.113 6.926 0 40 IKAB CCC1=C(C)/C(=C/c2[nH]cc(C)c2C)N=C1Cc1[nH]c(/C=C2\N=CC(C)=C2C)c(C)c1CC 19702939 VCCDVRGBLNUALZ-PJAANXPGSA-N 440.635 7.357 0 40 IKAB biogenic COc1ccc(-c2nc3cc(NC(=O)COc4cccc(C)c4C)ccc3o2)cc1OC 20412033 NCNBUEDVBNRXJW-UHFFFAOYSA-N 432.476 5.146 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1 20610236 HCKJZWPYZHAMLT-UHFFFAOYSA-N 427.291 5.378 0 40 IKAB CCn1cc(C(=O)Nc2ccccc2Sc2ccccc2)c(=O)c2cc(OC)ccc21 22235970 HLOJJKYWBVCQRA-UHFFFAOYSA-N 430.529 5.434 0 40 IKAB C[C@@H]1CCCCN1C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CC2 25424767 NQXCIMKMLRBXAC-PQMNFKMDSA-N 446.572 5.341 0 40 IKAB O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc(CSc2ccccc2)cc1 26409583 XCUDGSSQAOUVAV-OAQYLSRUSA-N 446.572 5.140 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccccc3)c3ccc(OCC)cc3)no2)cc1 27749706 SHMPJAQUCCMFCY-UHFFFAOYSA-N 442.515 5.986 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 30752244 BSIKPZOGPCRWJB-SANMLTNESA-N 430.573 5.041 0 40 IKAB CC1=C[C@@H](CNCc2cccnc2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(C)cc2)o1 30883143 CSYNQXPNWLPWSM-SDHOMARFSA-N 430.596 5.627 0 40 IKAB biogenic,in-vitro O=C(OCC(=O)N1CCc2ccccc21)/C(=C\c1ccc(Cl)cc1)c1ccc(F)cc1 34880018 JLKQBOVEYGDYSW-JCMHNJIXSA-N 435.882 5.152 0 40 IKAB CCOc1ccc([C@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 35147366 IIRIARBRGDSKOS-VWLOTQADSA-N 443.934 6.187 0 40 IKAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(Cl)cc1 35329609 KNNCSZOQSFMSER-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB COCCn1c(-c2nc(C(=O)Nc3cccc4cccnc34)cs2)cc2ccccc21 38911545 XQNBAXPQKBVBNT-UHFFFAOYSA-N 428.517 5.212 0 40 IKAB Cc1cc(Oc2cnccn2)ccc1NC(=O)c1ccc(NC(=O)Nc2ccccc2)cc1 58052656 NSWJTGLUPGBHTL-UHFFFAOYSA-N 439.475 5.474 0 40 IKAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 59639212 FYUXSGYLJPSRNS-INIZCTEOSA-N 429.687 5.098 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)N1CC[C@H](CSc2ccccc2)C1 72303136 AFCSQFBZHYVEPM-SFHVURJKSA-N 445.675 5.575 0 40 IKAB COCCOc1ncccc1C(=O)Nc1ccc(N[C@H](C)c2ccccc2)c(Cl)c1 97543037 HJESGNDGVCMNOB-MRXNPFEDSA-N 425.916 5.186 0 40 IKAB COc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccccc4)CC(O)=C32)cc1OC 100425623 FQZCNALJCICLHL-PPHZAIPVSA-N 426.516 6.333 0 40 IKAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 214171370 NWEIVMJHHKVCJY-RGVLZGJSSA-N 444.339 6.798 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)NCCSCc1c(F)cccc1Cl 219677093 TVJVDFADIGXSNN-LBPRGKRZSA-N 446.769 5.059 0 40 IKAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 222894047 HVWKCPYBLKGGGO-WOJBJXKFSA-N 432.376 6.031 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223031516 BVYZDCDNPSTRFH-RTBURBONSA-N 447.044 5.463 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 223167013 LWOJJXMARNYOKR-HSZRJFAPSA-N 438.612 5.085 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2cccnc2)cc1C 223472973 NEOGCLBSZXSKHU-DQEYMECFSA-N 439.588 5.057 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(CC)cc1 223786340 RAHWKKYSBOHLBL-DEOSSOPVSA-N 443.031 5.559 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 224269656 UKRAHOCLNSJLFL-IBGZPJMESA-N 447.044 5.153 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C(C)C)cc1 224272422 PXLCYMZNZXMDMK-HXUWFJFHSA-N 443.031 5.586 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1COc1ccc(C)c(C)c1 224290071 QNYLBZUMMQASEW-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2F)cc1CSc1ccccc1 224325703 OAKHXDHOCRXZCM-UHFFFAOYSA-N 446.341 6.141 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Br)s1 224420445 NTHDFYVWSPKIML-DLBZAZTESA-N 434.359 5.222 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COc1ccc(C(C)(C)C)cc1 224522646 BXJAGXLBDAEXEN-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c1 224565891 UALVOBQFLVLSGK-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1CSc1ccc(Cl)cc1 224676686 KBIGIRMECBMMJA-UHFFFAOYSA-N 439.964 6.486 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cccc(NC(C)=O)c3)o2)c1 224904611 UPMPNGFGEFYPLC-UHFFFAOYSA-N 427.460 5.228 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C)c(Cl)c3)o2)cc1 224918393 MMUKNVBCWVIUES-UHFFFAOYSA-N 432.907 6.621 0 40 IKAB O=C(O)[C@@H](Cc1ccc(I)cc1)Oc1ccc(-c2ccccc2)cc1 225068364 JOHGHWGVPAFPFY-HXUWFJFHSA-N 444.268 5.033 0 40 IKAB O=C(Nc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1ccc(Br)cc1 225335976 JBOLOMGUZBFYBI-UHFFFAOYSA-N 436.334 5.887 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 225557514 KMHSGXQINKSJIU-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225616285 OJRMEKCLUIEMGN-XMSQKQJNSA-N 447.044 5.544 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN2CCCCC2)cc1 225696439 HUPVTKPZIZIBMZ-UHFFFAOYSA-N 432.649 5.747 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OCC 225765458 OWGQUSUUZAVLEG-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccco3)c1)O[C@@H]1CCCC[C@@H]21 245226388 UOWXKHBODKGGSD-RRQZXNHTSA-N 433.504 5.695 0 40 IKAB CC1(C)[C@H]2CC[C@]1(C)C(=O)[C@H]2CN(C[C@@H]1C(=O)[C@@]2(C)CC[C@H]1C2(C)C)C(=O)c1ccccc1 245239482 JJYPPLLEFKACEV-VOPJWOGISA-N 449.635 5.412 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3cnccc23)CC1 257233896 GRFJBFGFWICCOW-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB O=C(Nc1ccccc1)c1nc(-c2ccc(Br)cc2)n(-c2ccc(F)cc2)n1 408698366 MYRQSVHDUIYJLI-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2cccc(Cl)c2)cc1 408699450 UHWGDSFKIDVPGL-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3cccc(C)c3)S2)cc1 408785834 ZUBBDMMATJCPNM-SJJVXOANSA-N 430.573 5.736 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Cl)c2)nc1-c1ccc(Br)cc1 408829724 XIGIPCPSRMPKFS-UHFFFAOYSA-N 435.774 6.431 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3ccc(F)cc3)c(Cl)c2)C(=O)N1C1CCCCC1 409086437 VNYBGDRVJBLFOW-MOSHPQCFSA-N 428.891 5.284 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)c(Cl)c3)nnc2-c2ccccc2)cc1 409102846 UKHUEGVTBSLBDC-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB Cc1ccc(C)c(NCc2cc(Cl)c(OCC(=O)Nc3ccccc3)c(Cl)c2)c1 409255769 ISTXKCFHXRCYCG-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB Cn1c(SCC(=O)Nc2ccc3ccccc3c2)nnc1-c1cc2cc(Cl)ccc2o1 409335660 YEGJUAALCZEUFV-UHFFFAOYSA-N 448.935 5.766 0 40 IKAB Cc1ccc(OCc2nc(-c3ccc(Cl)cc3OC(C)C)ccc2C(=O)O)cc1C 585265994 XMEWACGEKCYAJG-UHFFFAOYSA-N 425.912 6.083 0 40 IKAB CC[C@H](C)NC(=O)COc1cccc([C@@H]2OC[C@@H](c3ccc(Cl)cc3)C[C@H]2C(C)C)c1 585291840 DXCQQZHCJSZRDS-KEBMUCTBSA-N 444.015 6.151 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1 663939 UPTDNGWMEBBYSD-UHFFFAOYSA-N 432.524 5.367 0 40 IKAB CCn1c(S[C@@H](C)C(=O)Nc2cccc3ccccc23)nnc1-c1ccccc1OC 793564 UMRKHJPJJDFGCY-INIZCTEOSA-N 432.549 5.246 0 40 IKAB Cc1ccc(-n2nc3ccc(NC(=O)c4cc(Br)ccc4Cl)cc3n2)cc1 841466 KMWYFFFTYAUCII-UHFFFAOYSA-N 441.716 5.397 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2Cc2ccccc2)c(C)c1 902417 YCTMWOJIOHNQND-UHFFFAOYSA-N 443.572 5.101 0 40 IKAB COc1ccccc1CN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1ccccc1 1341564 RTZDDXQSBJRBLZ-VWLOTQADSA-N 446.547 5.121 0 40 IKAB C[C@H]1Cc2cc(-c3csc(NC(=O)c4ccc(F)cc4F)n3)ccc2N1C(=O)C1CC1 1366473 GKORNBAQKNDOEL-LBPRGKRZSA-N 439.487 5.028 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)OCc2ccccc2)c1 1661683 KRMJMNXHUNMACV-VWLOTQADSA-N 441.531 5.261 0 40 IKAB Cc1cc2ccccc2c[n+]1CCCCCCCCCC[n+]1cc2ccccc2cc1C 1665664 CPSLIYYYVRMLCV-UHFFFAOYSA-N 426.648 7.006 0 40 IKAB COc1ccc(-n2c(SCc3ccc(C)cc3C)nc3sc4c(c3c2=O)CCC4)cc1 1903458 QSPYHPODMVGFEL-UHFFFAOYSA-N 448.613 5.854 0 40 IKAB C[C@H](C(=O)Nc1ccc(C(=O)c2ccccc2)cc1)c1cccc(C(=O)c2ccccc2)c1 2069551 JGTOQUVFBARBTO-FQEVSTJZSA-N 433.507 5.891 0 40 IKAB Cc1ccc(CSc2nnc3c(n2)O[C@@H](c2ccc(C)cc2)Nc2ccccc2-3)cc1 2094578 PSKZEBIQORVIIQ-QHCPKHFHSA-N 426.545 5.951 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12)c1ccccc1 2105176 CFVCUWBBXWWXHW-MRXNPFEDSA-N 431.333 6.155 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nnc2-c2ccccc2)cc1 2448898 JISULZXAVYWDBC-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCOc1ccccc1N1CCN(C(=O)c2cc(-c3ccc(C)o3)nc3ccccc23)CC1 2741653 UXPSYZMYDJTPQB-UHFFFAOYSA-N 441.531 5.164 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 3012764 HUGDTICCNXCSBI-PMACEKPBSA-N 428.458 5.721 0 40 IKAB Cc1ccc(C)c(-c2csc(NC(=O)c3cc4c(C)nn(-c5ccccc5)c4s3)n2)c1 3182733 NYIXKAOMVZSGAY-UHFFFAOYSA-N 444.585 6.388 0 40 IKAB COc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1OC 3231503 BFGBKMDOIWIJKQ-UHFFFAOYSA-N 442.537 5.073 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)Nc1ccccc1C)CCCC3 3233804 CVPDIXCBEZZIRU-UHFFFAOYSA-N 447.575 6.121 0 40 IKAB O=C(Oc1ccc2oc3ccccc3c2c1)c1nn(-c2ccccc2)c(=O)c2ccccc12 3320026 MQPJNOUNTFIZCK-UHFFFAOYSA-N 432.435 5.504 0 40 IKAB COc1ccc(OCc2nnc(S[C@@H](C(=O)c3ccccc3)c3ccccc3)n2C)cc1 3354413 JFAAVEASNLJWKV-XMMPIXPASA-N 445.544 5.119 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@H](C)C(=O)N[C@@H]3CCC[C@H](C)[C@@H]3C)o2)cc1 8395212 FSIBKOHHWYESGA-MIALQEHNSA-N 430.618 5.004 0 40 IKAB CCCC[C@H](CC)CNC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 8453357 MOADAZDBPRCZQF-OLZOCXBDSA-N 435.200 5.312 0 40 IKAB Cc1cc(-n2c(C)cc(C(=O)COC(=O)c3c(Cl)ccc(Cl)c3Cl)c2C)no1 8628981 HSPRFBJDRJUEIQ-UHFFFAOYSA-N 441.698 5.390 0 40 IKAB COc1ccc(-c2nc3ccc(Cl)cc3n2OCc2c(Cl)cccc2Cl)cc1 8733503 AYLPSEXKCXVOKF-UHFFFAOYSA-N 433.722 6.301 0 40 IKAB CCCSc1ccccc1NC(=O)c1sc2nc(-c3cccs3)ccc2c1N 8733722 ZMBCJQSPLIOHHD-UHFFFAOYSA-N 425.604 6.361 0 40 IKAB C[C@H](NCc1ccccc1CN1CCCCC1)C(=O)Nc1ccccc1-c1ccccc1 8734784 XAZOUULJMXZULF-QFIPXVFZSA-N 427.592 5.456 0 40 IKAB COc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)cc1 8752511 SCNCCWHXBSITJO-JOCHJYFZSA-N 439.559 5.737 0 40 IKAB COc1ccc2c(c1OC)C(=O)N1C[C@@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@H]21 8789919 AJRXQQMYPFLZEZ-XDHUDOTRSA-N 444.918 5.529 0 40 IKAB biogenic CCCCOc1ccc(/C=C/[C@@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 8918616 LRGCDADUFCTAIR-HSBSSIIGSA-N 434.580 5.210 0 40 IKAB biogenic CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3Br)ccc21 8959090 FQLVKGANUAWTJO-UHFFFAOYSA-N 445.357 5.109 0 40 IKAB O=C(CSc1nnc(C(c2ccccc2)c2ccccc2)o1)Nc1ccc(Cl)cc1 9199927 PBLXFNWGAAIXLA-UHFFFAOYSA-N 435.936 5.634 0 40 IKAB Cc1cc(C)c(C(=O)Nc2cccc(Cl)c2)c(SCC(=O)Nc2ccccc2C)n1 9250221 VHORWZHXQRCHIZ-UHFFFAOYSA-N 439.968 5.643 0 40 IKAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)cc1 9292837 XLFGJRLYWRFFKK-JTHBVZDNSA-N 448.364 6.344 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1 9344107 BJTDHOAZOIDTSN-UHFFFAOYSA-N 428.488 5.655 0 40 IKAB COc1cccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2ccc(C)cc2C)c1 9411295 XRSCZDOADDAPFW-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB CCCC[C@@H](CC)CNC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)[nH]c2ccccc12 9581836 BRCDLBOHWWDYGL-NIYFSFCBSA-N 431.580 5.354 0 40 IKAB Cn1c(=O)n(C)c2cc(SCc3ccco3)c(NC(=O)c3ccc(C(C)(C)C)cc3)cc21 9606733 YTVRQZGDIKFCPL-UHFFFAOYSA-N 449.576 5.312 0 40 IKAB Cc1c(Cl)cccc1NC1=Nn2c(nnc2-c2ccccc2Br)SC1 9638529 BQCYKZMFVVIODF-UHFFFAOYSA-N 434.750 5.049 0 40 IKAB CCn1c(SCC(=O)N[C@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 9848361 JSZUMIQDTMJTQL-LRDDRELGSA-N 427.401 5.059 0 40 IKAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc4ccccc4s3)C2)cc1NC(=O)c1ccco1 9950286 XCQNHCRQKCTBSL-GOSISDBHSA-N 445.544 5.470 0 40 IKAB CC(C)c1cc(C(F)(F)F)n2nc(C(=O)Nc3ccc4c(c3)oc3ccccc34)cc2n1 12490678 MIFWDAQJWFQULY-UHFFFAOYSA-N 438.409 6.023 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(NC(=O)c3cccc(C(F)(F)F)c3)c2)c1 12541756 QQTCXZULJRAQLG-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CCCCCN1CC(=O)N2C[C@H](c3ccccc3Cl)c3c([nH]c4ccccc34)[C@@]2(C)C1=O 12869219 CYKREKBXJDOCIW-BCHFMIIMSA-N 449.982 5.043 0 40 IKAB biogenic CCOc1ccccc1NC(=O)CSc1cc(-c2ccccc2)c2ccc(OC)cc2n1 13018100 FCWIYFZKWUXAEG-UHFFFAOYSA-N 444.556 6.040 0 40 IKAB Cc1ccc2c(c1)c1c(n2C[C@@H](O)CNC(c2ccccc2)c2ccccc2)C(=O)CCC1 13138016 COSFDBHTQGGMSC-QHCPKHFHSA-N 438.571 5.209 0 40 IKAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2C[C@H]2CCCO2)c1 13145839 IUKLVEXLSTZUQX-IAGOWNOFSA-N 427.595 5.166 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N2c3ccccc3C[C@@H]2C)ccc1Cl 13676280 ZBGYWILSFUKBMU-INIZCTEOSA-N 440.952 5.041 0 40 IKAB CCN(CC)C(=O)c1ccccc1NC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687819 ZUCFERGEUSQFFP-UHFFFAOYSA-N 436.939 5.653 0 40 IKAB COc1cc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)c(C)c4)=NN32)cc(OC)c1OC 13769805 USRLRTYQDYXFBT-CUNXSJBXSA-N 444.531 5.572 0 40 IKAB COc1cc(CNC2CC2)cc(Br)c1OCc1ccc(Cl)cc1Cl 16195583 FFXPIWZELNFWDR-UHFFFAOYSA-N 431.157 5.596 0 40 IKAB Cc1ccccc1C(=O)Sc1nc(-c2ccc(Cl)cc2)sc1Nc1ccccc1 16362629 CPRTVRKCSYVGMI-UHFFFAOYSA-N 436.989 7.448 0 40 IKAB C[C@H]1C[C@@H](C)CN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 16689777 NSDJYQKFIXYEHY-IYOUNJFTSA-N 442.972 5.477 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccccc4Cl)nc3c2)cc1 17099284 HHUWVVJMJUJBQV-MRXNPFEDSA-N 434.923 6.679 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(Cl)cc4)CC3)c3ccccc3n2)cc1 19635098 ALDSXJSCBHVFFD-UHFFFAOYSA-N 441.962 5.826 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4cc(C)cc(C)c4o3)ccc2C)cc1 19636592 OJHLFVAKSIQPCI-GOSISDBHSA-N 442.559 6.951 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1 19637766 OYJDHWVPSXLWMT-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB Cc1nn(-c2ccccn2)c2nc([C@H]3CCCN3C(=O)CCc3cccc(Cl)c3)ccc12 19742426 KDACQCQSHMSZCE-JOCHJYFZSA-N 445.954 5.074 0 40 IKAB O=c1cc(CSc2ccc(Cl)cc2)nc(Nc2nc(-c3ccccc3)cs2)[nH]1 19819610 LBNNFXUATHZEHR-UHFFFAOYSA-N 426.954 5.583 0 40 IKAB CCn1c(Cc2ccccc2)nnc1SCc1nnc(-c2ccc(Cl)cc2Cl)o1 19929064 DFDOZJKEFMUHDQ-UHFFFAOYSA-N 446.363 5.538 0 40 IKAB COc1cc(NC(=O)/C=C/c2ccccc2)c(-c2nc(-c3ccccc3)no2)cc1OC 20744865 FKAZTDQEEGFMJK-BUHFOSPRSA-N 427.460 5.073 0 40 IKAB Cc1ccc2[nH]c(-c3ccc(NS(=O)(=O)c4ccc(Br)cc4)cc3)nc2c1 21141879 FUJKNAMOLBRAON-UHFFFAOYSA-N 442.338 5.102 0 40 IKAB Cc1ccc(-n2c(SCc3coc(-c4ccccc4)n3)nc3ccccc3c2=O)cc1 21369713 XCDSJLIQAMKZRO-UHFFFAOYSA-N 425.513 5.641 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c23)C1 21882538 APLXSMKHCGQPDX-CYBMUJFWSA-N 444.000 5.360 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3nc(CCC(=O)Nc4ccc(Cl)cc4)[nH]c(=O)c23)C1 21882539 APLXSMKHCGQPDX-ZDUSSCGKSA-N 444.000 5.360 0 40 IKAB Cc1cc(C(=O)CSc2nc3ccccc3n2-c2ccccc2)c(C)n1C[C@@H]1CCCO1 25396068 WFEDQNMKYACDKG-NRFANRHFSA-N 445.588 5.598 0 40 IKAB O=C(Nc1s/c(=N\c2ccccc2)n(-c2ccccc2)c1-c1ccccc1)c1ccccc1 26967937 IRSZOGPNZYKHPK-ZIADKAODSA-N 447.563 6.691 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc3n2N=C(c2ccc(OC(F)F)cc2)CS3)c1 27028869 JNCHTEDLCZOLHB-UHFFFAOYSA-N 444.507 5.248 0 40 IKAB O=c1nc2n(c3sc4c(c13)CCCC4)[C@@H](CSc1nc3ccccc3s1)CS2 27586418 UJXLQFQQOGJBGG-LLVKDONJSA-N 443.644 5.386 0 40 IKAB Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 28284388 VQYGSRPEWVUJLD-UHFFFAOYSA-N 436.655 5.756 0 40 IKAB Cc1cc(C)c2oc(C(=O)NC[C@H](c3ccc(Cl)cc3)N3CCCCC3)cc(=O)c2c1 28288310 BVYCBHTZTUDDOH-OAQYLSRUSA-N 438.955 5.020 0 40 IKAB C[C@H]1CCCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)C1 30943268 DHRQCJCDPXVPDT-IBGZPJMESA-N 446.978 6.055 0 40 IKAB O=C(Cc1cc(Cl)cc2c1OCOC2)N[C@@H](c1ccccc1)c1ccc(Cl)cc1 32779037 JXPXNSYMIBZLLU-QFIPXVFZSA-N 428.315 5.308 0 40 IKAB CCN(C(=O)c1csc(-c2ccc(OC)c(OC)c2)n1)[C@H](C)c1cccc(OC)c1 32800919 DKJICFSHNKEFSG-OAHLLOKOSA-N 426.538 5.059 0 40 IKAB Cc1nc(C2CC2)nc2sc(C(=O)Nc3ccccc3CN(C)C3CCCCC3)c(C)c12 32908104 VKODEJGXUGYXRM-UHFFFAOYSA-N 448.636 6.202 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(C(C)C)cc2)ccc1Cl 33773646 XDABWBYXUAQZBW-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CCOc1cc(C(=S)N2CCCCC2)cc(Br)c1OCc1ccccc1 35105153 HIRBOWOOVZPFRQ-UHFFFAOYSA-N 434.399 5.588 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)cc1 35394849 BGUWOSALXBMOQA-UHFFFAOYSA-N 442.968 5.572 0 40 IKAB COc1ccc(CC(=O)Nc2sc(C)c(C)c2-c2nc(-c3ccc(C)cc3)no2)cc1 35671309 YMZLLLRNACKHMO-UHFFFAOYSA-N 433.533 5.580 0 40 IKAB O=C(OCc1ccccc1)c1cc(O)c(OCc2ccccc2)c(OCc2ccccc2)c1 44136197 FYKMZXGMRCGQKQ-UHFFFAOYSA-N 440.495 5.907 0 40 IKAB in-vitro Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2F)c2c(C)nn(C(C)(C)C)c2n1 48326651 PMMLNRFEHIRXRJ-UHFFFAOYSA-N 449.505 5.323 0 40 IKAB Cc1cccc(-c2noc(CS(=O)(=O)C(c3ccc(F)cc3)c3ccc(F)cc3)n2)c1 69416249 AQEZHRJYTFPYTH-UHFFFAOYSA-N 440.471 5.028 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)/C(=C\c2ccco2)NC(=O)c2ccc(Cl)cc2)C1 100726614 NFPKEWMHXBQXSX-AWPGVCIJSA-N 426.944 5.131 0 40 IKAB COc1ccc(NCc2cc(Br)c(OCc3ccc(F)cc3)c(OC)c2)cc1 107043099 FHESDRRCKFMOOO-UHFFFAOYSA-N 446.316 5.797 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)c1 107757170 ZITOJUUNKCXCBJ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cc(C)ccc1C 108993592 SYBGUGJMUWOFJC-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@H](C)c2cc(C(C)C)c(OC)cc2C)c2ccccc2)cc1 223270410 AFSPKURCSCQCNA-ADIMLFFHSA-N 443.587 6.554 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C[C@@H]2CCCO2)c(C)n1C1CCCCC1 223306003 COWJWFKIRMTNBW-OYDLWJJNSA-N 438.641 5.157 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1c(Cl)cccc1Cl 223313717 JWTFYRLMTRTBMZ-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccccc1 223389341 TWVUVQAMOOJEKW-QFIPXVFZSA-N 445.003 5.221 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 223398655 QYEJZEZWQODPKL-RPWUZVMVSA-N 443.597 5.999 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223910500 NDUAWNBYTCVVLG-LOSJGSFVSA-N 440.572 5.585 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1OC 224242441 DHHYWFLQJCAFFJ-UHFFFAOYSA-N 431.410 5.554 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224407754 YGRWEZWEJISUSA-PKTZIBPZSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1COc1ccccc1Cl 224480814 RNTCBERDGWYLMX-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(Cl)cc1 224777776 XJDVPHKUPAADGC-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225116056 NAODTNGBBFHEPX-WOJBJXKFSA-N 445.003 5.139 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NC(=O)COc2ccc3c(c2)CCCC3)cc1 225212887 RMKGRGOIRBKMAC-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)s1 225361220 SOOCCGSCNSTGER-PKTZIBPZSA-N 435.618 5.950 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(C)COC(c3ccccc3F)OC2)cc1C(F)(F)F 225954397 VIYBEJHYZWIGLU-UHFFFAOYSA-N 441.421 5.322 0 40 IKAB COc1ccc(OC)c2c1[C@H](c1cccc(NC(=O)c3ccco3)c1)O[C@H]1CCCC[C@@H]21 245226389 UOWXKHBODKGGSD-WYEJZRMESA-N 433.504 5.695 0 40 IKAB O=C(CN1CCC[C@H]1Cc1c(C(=O)O)sc2ccccc12)Nc1ccc2c(c1)CCCC2 257221349 DORDDTXETDWAQA-FQEVSTJZSA-N 448.588 5.124 0 40 IKAB CC(=O)N[C@@]1(C)C[C@@H](c2ccc(F)cc2)O[C@@H](c2cc(C(=O)O)ccc2OCC(C)C)C1 257236943 HEMIOJWEEJJMBJ-ARNLJNQMSA-N 443.515 5.046 0 40 IKAB Cc1c(C(=O)N2CC[C@@](O)(CC(C)C)[C@@H](Oc3ccc(F)cc3)C2)oc2c(F)cccc12 257309741 UCFLENKQRHOYMW-SQJMNOBHSA-N 443.490 5.090 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408576181 SQGHDUNTPVCHIR-HRFSGMKKSA-N 444.600 5.212 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)cc1 408639612 GCDIEBBWZMZURK-NRFANRHFSA-N 442.559 6.211 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1C 408642386 OKCIIMLYHXPHHP-IBGZPJMESA-N 448.950 6.049 0 40 IKAB COCCN1C(=O)S/C(=C/c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409126769 FZTHDHPWCPXGOV-UDWIEESQSA-N 426.925 5.026 0 40 IKAB CCCCOc1ccc2ccccc2c1/C=C1\SC(=O)N(CC(=O)O[C@H](C)CC)C1=O 409199955 FYNGILPUSATKFP-QAIWHXNASA-N 441.549 5.397 0 40 IKAB Cc1sc(NC(=O)CC[C@@H](O)c2ccccc2)nc1-c1ccc(Br)cc1 409207001 YGAIIKUCHIMGQP-QGZVFWFLSA-N 431.355 5.333 0 40 IKAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CC(=O)Nc2cc(Cl)ccc2C)C1=O 409365472 ZPZPGKLBUXPGHW-KMKPNOTNSA-N 426.925 5.270 0 40 IKAB COc1ccc([C@@H](NC(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)C(C)C)cc1OC 604419631 JZBSBBFIKLKDNY-VWLOTQADSA-N 433.552 5.381 0 40 IKAB O=C(O)c1ccc2c(c1)Cc1cccc(c1)CN(Cc1ccccc1F)CCCCCO2 643582983 BYWLPZOWIZNLNZ-UHFFFAOYSA-N 433.523 5.680 0 40 IKAB 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)CCc2ccccc2)C1 2049243858 OSYGNEOCCSKLON-QNQHKOGCSA-N 438.652 6.325 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)c1ccccc1F 798301 BFRTUKXWVUJYTL-UHFFFAOYSA-N 429.469 5.000 0 40 IKAB Fc1ccc(NCc2nnc(SCc3ccccc3Cl)n2C[C@H]2CCCO2)cc1 877804 SRZFBWHLLMHGFZ-GOSISDBHSA-N 432.952 5.154 0 40 IKAB CCc1ccccc1NC(=O)c1cnn2c1N[C@H](c1cccc(OC)c1)C[C@@H]2C(F)(F)F 884002 QAHWGGZMPUUDOP-VQTJNVASSA-N 444.457 5.367 0 40 IKAB COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 1341606 JDYHUVWRMSSYNU-RUZDIDTESA-N 446.547 5.434 0 40 IKAB CC(C)c1ccc(N(C(=O)C(F)(F)F)[C@H](C(=O)NC2CCCCC2)c2ccncc2)cc1 1365776 XLTGFCLBOYTKAB-NRFANRHFSA-N 447.501 5.291 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2ccc3oc(-c4cccc5ccccc45)nc3c2)cc1 2137282 IFBPEAOTMLNMLL-UHFFFAOYSA-N 436.511 6.935 0 40 IKAB CCCOc1c(I)cc(C(=O)Nc2ccccc2C)cc1OCC 2140803 HGQLLJWEUIRQFO-UHFFFAOYSA-N 439.293 5.039 0 40 IKAB Cc1sc2nc(SCc3ccc4ccccc4c3)n(-c3ccc(F)cc3)c(=O)c2c1C 2143166 PTHSCWZYPIKDAP-UHFFFAOYSA-N 446.572 6.649 0 40 IKAB COP(=O)(OC)[C@@H](OC(=O)Nc1ccc(C)c(Cl)c1)C(Cl)(Cl)Cl 2144678 KKBSKHLDQZQHQQ-SNVBAGLBSA-N 425.032 5.379 0 40 IKAB CSc1nc(NC[C@@H]2CCCO2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2426690 JQGNBPXFPCDJSF-ZDUSSCGKSA-N 428.627 5.240 0 40 IKAB O=C(Nc1cc(Br)c(O)c(Br)c1)C1(c2ccccc2)CCCC1 2512726 ZOVDPHOVKIGJMA-UHFFFAOYSA-N 439.147 5.368 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3ccc(F)cc3)n2-c2ccccc2)c1C 2628234 QKEPRZMAYXMPCA-UHFFFAOYSA-N 448.523 5.196 0 40 IKAB O=C(CNc1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2887590 IWFBOZWQOUCFJH-UHFFFAOYSA-N 442.371 6.245 0 40 IKAB CCc1ccc(OC[C@H]2c3cc(OC)c(OC)cc3CCN2C(=O)Nc2ccccc2)cc1 3006515 ZZFPVPOIEGSIPU-DEOSSOPVSA-N 446.547 5.477 0 40 IKAB O=C(OCC(=O)N1CCCc2ccccc21)c1cc(-c2ccc(F)cc2)nc2ccccc12 3235629 VZIOZECBCDRVPC-UHFFFAOYSA-N 440.474 5.177 0 40 IKAB O=C(COC(=O)CCc1nc2ccccc2s1)Nc1ccc(Cl)c(C(F)(F)F)c1 3344735 PRMCRKWIIWFAES-UHFFFAOYSA-N 442.846 5.083 0 40 IKAB Cc1cc2nnc(Sc3ncnc4sc(-c5ccccc5)cc34)n2c2ccccc12 3356287 CDQRILLILOZSKC-UHFFFAOYSA-N 425.542 6.014 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(OC)cc2)cc1 8605099 JAIVQACONHQPTP-UHFFFAOYSA-N 445.540 5.178 0 40 IKAB COc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(C(C)C)cc3)CC2=O)c1 8828197 MORJIKIKDBFHIJ-JOCHJYFZSA-N 439.559 5.737 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(CC(=O)Nc3cccc(Cl)c3C)cs2)cc1 8852978 HXUMDDUPWGUDJW-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB O=C(Nc1ccccc1)Nc1nnc(CSCc2ccc(Cl)cc2Cl)s1 8856588 SJHMUEMCTQDRQM-UHFFFAOYSA-N 425.366 5.922 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2cccc(Cl)c2)o1 8916092 BTOSIVZSVRHZKJ-UHFFFAOYSA-N 432.838 6.800 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc21 8959049 HPGXHQHMYMMJGG-UHFFFAOYSA-N 434.458 5.365 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 9057197 USYJKVNHOFDTJT-VDDKRMBASA-N 426.947 6.777 0 40 IKAB COc1ccccc1NC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9101202 SUASWDUBBLITKH-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Cl)c3)n2CC)cc1 9308143 KBKKWVBPDNWFLN-OAHLLOKOSA-N 428.989 5.863 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccc(OC)c(OC)c2)cc1 9328002 NYCCXKNSOCIDSQ-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12)c1ccccc1C(F)(F)F 9413997 REHQWPGAOATAFY-UHFFFAOYSA-N 442.368 6.095 0 40 IKAB O=C(Nc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1)c1cccs1 9454771 VQUIJZSCCRZUMB-GOSISDBHSA-N 433.558 5.587 0 40 IKAB CCN(CC)Cc1nc(N[C@H](c2ccccc2)c2nccn2C)c2c(C)c(C)sc2n1 9608691 AHUPZIRENNTUFS-OAQYLSRUSA-N 434.613 5.085 0 40 IKAB Cc1ccc(NC(=O)[C@@H](NCc2ccccc2CN2CCCCC2)c2ccccc2)cc1 9637681 YHFIDZIELWXWTP-MHZLTWQESA-N 427.592 5.451 0 40 IKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc(-c2ccc(Cl)cc2Cl)cs1 9707698 PVASIXZPIPNRQC-UHFFFAOYSA-N 441.361 5.163 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(CN(c2cccc(C)c2)S(C)(=O)=O)cc1 10356855 FFFJGINYTFHHKZ-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB Clc1cc(Br)ccc1OCc1nnc(-c2ccc(Br)o2)o1 11399401 WRYSBTSJYIHOTM-UHFFFAOYSA-N 434.471 5.087 0 40 IKAB CCOc1ccc(C(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1 12464303 WKCHIZJPBKKERV-UHFFFAOYSA-N 428.406 5.811 0 40 IKAB CC(C)CCSc1nc2ccc(NC(=O)c3cccc(Br)c3)cc2s1 13748907 FRVAEZKJQBEKEH-UHFFFAOYSA-N 435.412 6.449 0 40 IKAB Cc1oc2cc(OS(=O)(=O)c3cccs3)ccc2c(=O)c1-c1ccccc1Cl 14099885 ZKCHCOPPMXGRBZ-UHFFFAOYSA-N 432.906 5.251 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CN3CCCC3)c2C(=O)Nc2ccccc2)C1 15946057 QZCLYQFWZFPSHH-QGZVFWFLSA-N 439.625 5.186 0 40 IKAB COc1ccc(CCC(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 16044027 FIQGYKZSSUVDLD-UHFFFAOYSA-N 442.437 5.538 0 40 IKAB COc1cc(CNCCCN(C)C)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16163130 KYWGILXBBWBZBE-UHFFFAOYSA-N 431.791 5.276 0 40 IKAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 16444794 AOQRJMSQGSNYJV-MRXNPFEDSA-N 443.931 5.094 0 40 IKAB CC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c(NS(=O)(=O)c3ccccc3)cc12 16779582 HVRWLWUBWGNVBV-UHFFFAOYSA-N 432.545 5.559 0 40 IKAB Cc1ccccc1-c1noc(CSc2nc3ccsc3c(=O)n2CCC(C)C)n1 16845786 YMMBMDOTRQAPFS-UHFFFAOYSA-N 426.567 5.155 0 40 IKAB COc1ccc(-c2nn(-c3cc(Cl)cc(Cl)c3)c(-c3ccc(OC)cc3)c2C)cc1 17103151 DBVZBGCAXDAADF-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB COc1ccc([C@H](CC(=O)c2ccc(Cl)cc2)c2c(O)c3ccccc3oc2=O)cc1 19897613 KBOLOVOXFYZOJI-FQEVSTJZSA-N 434.875 5.566 0 40 IKAB Cc1ccc(NC(=O)Cn2c(-c3ccccc3)nc3sc4c(c3c2=O)CCCC4)c(C)c1 19996392 KZSOEVUEXKOXBG-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20105229 ZYUVRNWZAALRPK-HSZRJFAPSA-N 442.603 5.511 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)N1C(=S)C(c2ccccc2)=NC12CCCCCC2 20152328 ZSRXKSIVSCKHDD-UHFFFAOYSA-N 431.388 6.316 0 40 IKAB Oc1c([C@@H](c2ccc(Cl)cc2Cl)N2CCCC2)sc2nc(-c3ccco3)nn12 22852512 FEYGXXMGGNBTRG-OAHLLOKOSA-N 435.336 5.248 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)cs2)cc1 28288501 PLEMHEILNWOQQR-QGZVFWFLSA-N 438.593 5.242 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)o1)N1CCc2sccc2[C@@H]1c1cccs1 29421799 UEJZYNKRLLMBQL-LJQANCHMSA-N 445.635 5.507 0 40 IKAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1nc(Cl)c(Cl)c(Cl)c1Cl 30525543 YKAAYVHNRNJWPU-UHFFFAOYSA-N 433.122 5.184 0 40 IKAB Cc1cc(NC(=O)COc2ccc(Cl)cc2C)ccc1NC(=O)c1cc2ccccc2o1 32114636 KEEWZTIXAIFPLM-UHFFFAOYSA-N 448.906 5.973 0 40 IKAB CCOc1ccc(-n2c(=S)sc3c(=O)[nH]c(SCc4cccc(F)c4)nc32)cc1 32948217 LCTFZFKHNDHTAF-UHFFFAOYSA-N 445.566 5.335 0 40 IKAB CCCCSC1=N[C@@H](c2ccc(OC)cc2OC)C(C(=O)Nc2ccccc2)=C(C)N1 33380010 PNRLCGMVMIAVII-QFIPXVFZSA-N 439.581 5.150 0 40 IKAB O=C(c1sc2cccc(Cl)c2c1Cl)N1CCC(c2nc3ccccc3o2)CC1 35672354 YNJIUZNBMOFISQ-UHFFFAOYSA-N 431.344 6.369 0 40 IKAB CC(=O)O[C@H]1C(=O)CCc2c1ccc1c2CC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)CC[C@H](C)C(C)C 36371914 NBPHAHNFMOQFSI-XNBMUXKHSA-N 438.652 6.961 0 40 IKAB Cc1ccc([C@@H](NC(=O)CSCc2ccc(Cl)c(Cl)c2)c2ccccc2)cc1 44844671 GCVUNWQEQOVGMB-QHCPKHFHSA-N 430.400 6.441 0 40 IKAB COc1ccc(CN(C)C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 44885900 ADTSVEREVPNRQO-UHFFFAOYSA-N 441.980 5.922 0 40 IKAB O=C1CN(Cc2ccccc2)[C@H](c2ccccc2Cl)c2cc(Br)ccc2N1 49597029 SYRKWSNWDILSAO-JOCHJYFZSA-N 441.756 5.646 0 40 IKAB Cc1cccc(-n2c(SCC(=O)O[C@@H]3C[C@@H](C)CC[C@H]3C(C)C)nc3ccccc32)c1 53389901 YVMJNAXKVMSTOK-ZCVJKFOLSA-N 436.621 6.430 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4ccc5nsnc5c4)ccc3Cl)nc2c1 57316034 QQSNEQNPKMRNAI-UHFFFAOYSA-N 434.908 6.022 0 40 IKAB CN(Cc1ccc(OC(F)F)cc1)Cn1nc(Nc2ccccc2F)sc1=S 58160867 DGJAKTROFJLBFC-UHFFFAOYSA-N 426.489 5.248 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(Cl)c3)o2)c1 59179537 URICRDYULQQAPS-UHFFFAOYSA-N 431.945 5.465 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)cc1 59212660 XCBGJQALEDMSLT-UHFFFAOYSA-N 442.953 5.553 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1 59472915 POBPAKQUINXBAN-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CC1=C2C[C@@H]3[C@@H](CN4CCN(c5cc(Cl)ccc5C)CC4)C(=O)O[C@@H]3C[C@@]2(C)CCC1 61992812 YAENZRSZELRANI-LXRCUPKFSA-N 443.031 5.229 0 40 IKAB biogenic O=c1c2ccccc2c(-c2nc(-c3ccc4c(c3)OCO4)no2)cn1-c1ccc(Cl)cc1 67245390 UGAUFGORKKPRRG-UHFFFAOYSA-N 443.846 5.090 0 40 IKAB O=C(c1csc(-c2ccc(Cl)c(Cl)c2)n1)N1CCC(Nc2ccccc2)CC1 71841431 LJJOWNWKZCQKDT-UHFFFAOYSA-N 432.376 5.834 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)OC(C)(C)C)cn1)C1CCC1 72215471 OERRQKGHQVCFQD-IBGZPJMESA-N 431.577 5.838 0 40 IKAB O=C1[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc2cccnc12 102694965 TZTZHUYTZKHNCN-AYEHBTSNSA-N 430.507 5.478 0 40 IKAB CCCCOc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)cc1OC 102861850 WZOAJEIYWQFXPT-MHZLTWQESA-N 448.607 7.362 0 40 IKAB COc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 108922683 VAJWZRPRWGHHPX-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3ccc(C)cc3C)nc3ccsc3c2=O)cc1 206598281 BQXIHFKIAOXRCR-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB CCCOc1ccc(Br)cc1/C=C1/SC(=O)N(Cc2cccc(C)c2)C1=O 214546282 RXRMGXXWENUEEA-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB O=C1S/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N1Cc1ccc(F)cc1Cl 215133870 IRHUKMPDQKBBDH-CIAFOILYSA-N 439.895 6.508 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Br)cc2F)o1 222805277 YOJIDVNCYXJUFR-MOPGFXCFSA-N 446.345 5.236 0 40 IKAB C[C@@H](C(=O)NCCC1=CCCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 222837697 XRRVXTZNDSRPRV-FQEVSTJZSA-N 438.999 5.307 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 223474734 PHHHJGHGBZTPMZ-GOTSBHOMSA-N 446.963 5.563 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1C 223870709 NVPWWUJEEYMBHY-RPBOFIJWSA-N 440.572 5.372 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccc(Cl)cc1 224183371 FFZVVKIHUMQEQA-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 224554633 GWTAKVSWKVGYFV-SFHVURJKSA-N 446.528 5.047 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)cc1 224757842 VGPUABRQXJZCPO-LJQANCHMSA-N 426.988 5.057 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)ccc1F 224907564 VKWINAOEAOIMOV-ZEQRLZLVSA-N 444.535 5.203 0 40 IKAB O=C(Nc1ccc(N2CCCC2)cc1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224926674 IUPHBSGFRYWDSA-UHFFFAOYSA-N 432.395 5.444 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224933462 NALOBUOVWLOPQV-AWEZNQCLSA-N 441.786 5.133 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCCNc2ccccc2)c(C)n1C(C)C 225041468 XIWNUBUNHICXBW-LOSJGSFVSA-N 447.652 5.556 0 40 IKAB CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc2ccccc2c1 225059066 KQHMFULTRUSDFZ-UHFFFAOYSA-N 431.601 6.133 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1cccc(C)c1 225166029 VLCCRFASKNQEET-IBGZPJMESA-N 447.044 5.215 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225193310 NJWRCJDIQWYLPD-OAQYLSRUSA-N 435.395 5.178 0 40 IKAB Cc1cccc(CN(C(=O)CCCSc2ccc(Cl)cc2)[C@H](C)C(=O)NC(C)C)c1 225513686 XWVCMZPQBMLOCN-LJQANCHMSA-N 447.044 5.463 0 40 IKAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)NCCc2ccc(Cl)cc2)[nH]n1 225545413 POZCWCRHLCPKBJ-UHFFFAOYSA-N 440.931 5.274 0 40 IKAB O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCCCC1 225553549 ZRHKKMJMAAUNKC-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccccc1C(C)C 225554307 MPVNHMQTIVSFGG-URXFXBBRSA-N 438.612 5.219 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1cccc(C)c1)C(=O)Cc1c(F)cccc1Cl 225555694 HHKMBFOLFWYDCI-VGSWGCGISA-N 432.967 5.052 0 40 IKAB CCc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)N[C@H](C)CC)cc1 225632863 LILPVNTYKCEFLD-JPYJTQIMSA-N 445.003 5.003 0 40 IKAB COc1cc([C@@H]2O[C@@H]3CCCC[C@H]3c3cc4c(cc32)OCO4)ccc1OCc1ccccc1 245240246 OEDFWOKQVJHDQD-PYHHMDQSSA-N 444.527 6.149 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2C(=O)CCc2ccccc2)nc1CCCc1ccccc1 257215605 CQVNGZPZHLPDEF-SANMLTNESA-N 442.559 5.251 0 40 IKAB CCOc1ccccc1Cc1ccc([C@@H]2CCCN(C(=O)Cc3ccc(F)cc3)C2)nc1 257276680 NURWZUCLZSWOPN-HSZRJFAPSA-N 432.539 5.159 0 40 IKAB Cc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1NC(=O)c1ccc(Cl)cc1 408601801 BPLJGOOJTCXNGG-UHFFFAOYSA-N 434.989 5.292 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)[C@H]1CC(=O)N(c2cc(Cl)ccc2Cl)C1 408657671 ISOGERUGLRABSK-KRWDZBQOSA-N 426.299 5.619 0 40 IKAB O=C(Nc1ccc(F)cc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)c(Cl)c2)n1 408695371 QFLUHPNOSFTQTQ-UHFFFAOYSA-N 445.256 5.772 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1C 408726796 CHEGHIWLEYMPOZ-NQPYUKKHSA-N 431.535 5.727 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4cc(C)ccc4C)C3=O)c[nH]c12 409343940 FYBGYOCKEYKSED-JAIQZWGSSA-N 433.533 5.022 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 683024 KTGUMCPMMSTZSN-PMACEKPBSA-N 432.520 5.115 0 40 IKAB CCOC(=O)c1ccc2ncc(C(=O)OCC)c(Nc3ccc(Cl)c(Cl)c3)c2c1 1775625 JEOFWJOOAORJQA-UHFFFAOYSA-N 433.291 5.639 0 40 IKAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1 1840564 HQBJSBHJEYHCIC-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB COC(=O)c1cccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)c1 2105630 XDWZWRSEJFTTSB-UHFFFAOYSA-N 430.891 5.903 0 40 IKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccc(C(C)C)cc3)n2)cc1 2118656 QRNUBGNGCMKPQO-UHFFFAOYSA-N 449.554 6.445 0 40 IKAB biogenic Cc1ccc(NC(=O)c2c(N)n(-c3cccc(Cl)c3)c3nc4ccccc4nc23)cc1C 2291491 DHLFNPZVQSVZMF-UHFFFAOYSA-N 441.922 5.678 0 40 IKAB O=Cc1c(-c2ccccc2)nn(-c2ccccc2)c1Sc1c(Cl)cccc1Cl 2505815 MPHMKWKHJVPRBF-UHFFFAOYSA-N 425.340 6.810 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(I)cc1 2590156 IKKXKBBWRRWKLJ-FARCUNLSSA-N 448.087 5.259 0 40 IKAB CCCCOc1ccc(C(=O)Oc2c(Sc3ccccc3)c(C)nn2C(C)(C)C)cc1 2718557 NKUAYEIQALLSBE-UHFFFAOYSA-N 438.593 6.496 0 40 IKAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(Cc4ccc(Cl)cc4)C3=O)cc2)cc1 2735946 HBLMMRNQUKJBLS-OEAKJJBVSA-N 432.907 5.320 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nc(Nc2ccc(F)cc2)c2ccccc2n1 2948831 UWDAVXKANIJHDR-UHFFFAOYSA-N 433.508 6.016 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc(C(F)(F)F)ccc2OCC(F)(F)F)c1 3349146 CATRTMQXISHBGV-UHFFFAOYSA-N 449.391 6.096 0 40 IKAB O=C(Oc1ccc(Oc2ccccc2)cc1)c1ccccc1-c1ccc(C(F)(F)F)cc1 3364278 JXCIDHYCCRLMBV-UHFFFAOYSA-N 434.413 7.384 0 40 IKAB C[C@H](C(=O)c1ccc(C(C)(C)C)cc1)N1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O 3458173 ZIEKYJDGMOGCGQ-LJQANCHMSA-N 440.543 5.051 0 40 IKAB CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@@H](C)C(=O)OC)ncnc32)cc1 3658785 GYXWYSAECWSSDC-INIZCTEOSA-N 433.533 5.140 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 4079182 MFXRPKFYWKDYMI-SNVCHVKOSA-N 444.637 7.499 0 40 IKAB CC(C)Cn1c(/C=C(/OC(=O)c2ccc(F)cc2)c2ccc(F)cc2)nc2ccccc21 4418756 XFRIWSAFDWRSKX-BUVRLJJBSA-N 432.470 6.326 0 40 IKAB CCN(CC)CCCN(C(=O)c1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)cs1 6511280 KLLYNFSEJYSLNH-UHFFFAOYSA-N 445.991 5.981 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)c2ccc(Br)cc2)cc1 7060000 JGWUMCCSTANKIJ-JOCHJYFZSA-N 435.321 5.449 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Br)cc1 8440360 DMGGKZDCCDLMJY-UHFFFAOYSA-N 443.300 6.663 0 40 IKAB Cc1ccccc1C(=O)Nc1sc2c(c1C(=O)N[C@@H](C)c1ccccc1)CC[C@@H](C)C2 8445622 YDAXBNUJGDQMFF-AEFFLSMTSA-N 432.589 5.925 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)c3cccc(Cl)c3)c3ccccc3OC)cc2c1 8612052 NDQQBDPLTIFAFP-UHFFFAOYSA-N 448.906 5.046 0 40 IKAB Cc1cccc(-n2ncc3c(Nc4ccc(Oc5ccc(Cl)cc5)cc4)ncnc32)c1 8614881 FANDAFKYZYOTTN-UHFFFAOYSA-N 427.895 6.313 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@@H](O)[C@H]2[C@@H]1c1ccccc1OC 8837860 ASEVQPKUGBNXIJ-NPAAKHOSSA-N 448.607 6.233 0 40 IKAB Cc1ccc2c(c1)N(C(=O)c1ccc(Br)cc1)C(C)(C)C[C@@]2(C)c1ccccc1 9189988 QCZLPNZAFVVJGM-SANMLTNESA-N 448.404 6.893 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(O)c1)N(Cc1ccccc1Cl)C3=O 9243000 BWFKPPYLXQONTJ-JOCHJYFZSA-N 445.902 5.514 0 40 IKAB CCOc1ccc([C@H]2C[C@@H](c3ccc(Cl)c(Cl)c3)Nc3nc4ccccc4n32)cc1 9292785 IVLNMHNMAUUHHO-JTHBVZDNSA-N 438.358 6.888 0 40 IKAB O=C1c2ccccc2[C@H](c2c(-c3ccc(F)cc3)[nH]c3ccccc23)N1CCc1ccccc1 9355551 ZPKAYISHDATSDZ-GDLZYMKVSA-N 446.525 6.762 0 40 IKAB Cc1nnc(SCC(=O)N[C@@H](c2ccccc2)c2cccs2)n1C1CCCCC1 9477260 BMFQICBBVBUAND-NRFANRHFSA-N 426.611 5.151 0 40 IKAB Fc1ccc(-c2nnc(SCc3ccc(Br)cc3)n2C[C@H]2CCCO2)cc1 9535707 QDOBMDCHRTZPQO-GOSISDBHSA-N 448.361 5.318 0 40 IKAB COc1ccc([C@H]2CCCCCN2C(=O)C2CCN(C(=O)/C=C/c3ccccc3)CC2)cc1 9669601 DRDZIFYPICZGMZ-WVKUQPHVSA-N 446.591 5.091 0 40 IKAB CCC[C@@H](NC(=O)[C@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 9832163 HEMVGBZDTJYRRQ-MAUKXSAKSA-N 426.611 5.480 0 40 IKAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(-c2nc3cc(C)c(C)cc3o2)cc1 9892135 FWTXHWOPWQOXSV-UHFFFAOYSA-N 445.544 5.555 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc4ccccc34)c2C)cc1 10365955 CVGIHTGRDNVFCZ-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB CC(C)(C)[C@@H]1C[C@@H](C(F)(F)F)n2nc([C@@H]3CCN(C(=O)CCc4ccccc4)C3)cc2N1 12160638 VGKIPOLCLWTSDN-HOJAQTOUSA-N 448.533 5.166 0 40 IKAB Clc1ccc(C2=NN(c3ccc(Br)cc3)[C@@H](c3ccc(Cl)cc3)C2)cc1 12429110 LYBCYNGOTCPQNE-OAQYLSRUSA-N 446.175 7.112 0 40 IKAB O=C(c1ccccc1F)N(Cc1cc2cc3c(cc2nc1Cl)OCO3)C1CCCC1 12493953 YLXLSPKNBHZVDH-UHFFFAOYSA-N 426.875 5.341 0 40 IKAB Fc1ccc(NC(=S)N2CCN(c3nc(-c4ccc(Cl)cc4)cs3)CC2)cc1 12878371 RSKRAEZRWOMEBO-UHFFFAOYSA-N 432.977 5.122 0 40 IKAB Cc1noc(CSc2ccc(C(=O)N[C@@H](Cc3ccccc3)c3ccccc3)cc2)n1 12924006 DLPWEWFUKSWYMQ-QHCPKHFHSA-N 429.545 5.384 0 40 IKAB COc1cccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2cccc(C)c2)c1 13025904 ZSNCQBHQHOMXAR-XMMPIXPASA-N 432.520 5.044 0 40 IKAB CC[C@H](C)[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 13109412 LOKIQSBYRQELKJ-AFMDSPMNSA-N 442.559 5.887 0 40 IKAB O=C(CSc1ncc(C(F)(F)F)cc1Cl)NC(c1ccccc1)c1ccccc1 13141463 YJWQFIHUHDOXJX-UHFFFAOYSA-N 436.886 5.752 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc2c3c(C)c(C)sc3nc(C(C)C)n12 13499997 MNOADRWMAOEUQJ-UHFFFAOYSA-N 425.583 5.118 0 40 IKAB O=C(C1CCCCC1)N(CCc1ccccc1)Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 13511193 ULNUPJQINZLYHV-UHFFFAOYSA-N 449.620 5.015 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN23)cc1F 13660842 STGYRQHAKGNANI-XLIONFOSSA-N 447.304 6.031 0 40 IKAB Clc1ccc(-c2nnc3sc(-c4ccccc4-c4nc5ccccc5s4)nn23)cc1 15085469 MCJIPXAIZZYVJK-UHFFFAOYSA-N 445.960 6.450 0 40 IKAB CCOc1cc([C@@H]2N=C(O)c3c(sc4c3CC[C@H](C)C4)N2)ccc1OCc1ccccc1 15947765 CAMGTXMMPQJEJN-UPCLLVRISA-N 448.588 6.280 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)c1 16284387 GMPJSXYMRNOIGG-UHFFFAOYSA-N 438.487 5.152 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3cc(Cl)c(OC)c(Cl)c3)cc2Cl)CC1 16681527 XZZFCBADKQMERD-UHFFFAOYSA-N 442.774 5.050 0 40 IKAB CCOc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(F)cc1 16688512 GLYCFNNXBRVHSD-JOCHJYFZSA-N 429.919 5.280 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 17096183 OJOCVLLFZQEPPV-UHFFFAOYSA-N 428.875 6.338 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc3ncccc3c2)C1)c1cccs1 19400604 FWYNNGDBIOFPQV-BWKNWUBXSA-N 442.588 5.075 0 40 IKAB O=C(Nc1cc2nn(-c3ccccc3)nc2cc1Cl)c1ccc(-c2ccc(Cl)cc2)o1 19648471 BEUUXTJIWNIQEZ-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB CCN(C(=O)c1ccc2c(c1)ncn2C(C)C)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 19711785 SCKORKDSYGFCCG-JYFHCDHNSA-N 448.611 5.061 0 40 IKAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20036404 SVXXZJGBPUKNEG-SANMLTNESA-N 443.587 6.628 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4cc(Cl)ccc4Cl)cc3n2)cc1Cl 20610736 XPCKLQABXOEDEQ-UHFFFAOYSA-N 447.709 5.642 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)cc4OC)cc3)nc2c1 21595872 HFMAXYWBTQVZSP-MRXNPFEDSA-N 430.504 6.278 0 40 IKAB Oc1c([C@@H](c2cccc(F)c2)N2CCc3ccccc3C2)sc2nc(-c3ccco3)nn12 22852193 WZHZTEUYSPLKBU-HXUWFJFHSA-N 446.507 5.043 0 40 IKAB CC1=C(C(=O)Nc2cc(Cl)ccc2C)[C@H](c2c(Cl)cccc2Cl)NC(=S)N1 28464959 VKIQYLCEWZFIMO-QGZVFWFLSA-N 440.783 5.387 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nn2c1N=C(O)C[C@H]2C(=O)Nc1ccccc1C(F)(F)F 32074294 OCUVBIHPHBJQQR-INIZCTEOSA-N 448.832 5.702 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)COc2cc(C)cc(C(C)C)c2)cc1 32910142 ZRGPESWFDWYHAS-UHFFFAOYSA-N 432.520 5.397 0 40 IKAB CCOc1cccc2c1O[C@@H](c1cccc(OC)c1OC)N1N=C(c3ccc(C)o3)C[C@H]21 34138845 SQGDTMBVLLCXMU-CLOONOSVSA-N 434.492 5.246 0 40 IKAB CCCn1c(NC(=O)c2cnn(-c3ccccc3F)c2C(F)(F)F)nc2ccccc21 40058812 YBVYWMHMMVWAGW-UHFFFAOYSA-N 431.393 5.042 0 40 IKAB Cn1cc(CN2CCC[C@@H]([C@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 72330455 VRDNAAHOVQVDHB-DFHRPNOPSA-N 444.623 5.223 0 40 IKAB Cc1cc(-c2c(C)nn(-c3nc(-c4ccccc4)cs3)c2O)n(-c2ccc(Cl)cc2)n1 100923182 LASVXNJMPRBVRH-UHFFFAOYSA-N 447.951 5.824 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(Cl)c1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 101104911 IKRVZWCJADPXNU-JPMIEVGJSA-N 437.926 5.764 0 40 IKAB O=C(c1ccccc1)[C@@H]1[C@H](c2ccc(Cl)cc2)[C@@H]([N+](=O)[O-])[C@H]2C=Cc3ccccc3N12 102188460 CYEKNJZMUKWCPH-LWSSLDFYSA-N 430.891 5.236 0 40 IKAB N=C1C(c2nc(-c3ccccc3)cs2)=C(O)CN1C1CCN(Cc2ccccc2)CC1 102732082 OTEQERDLHBOLTD-UHFFFAOYSA-N 430.577 5.037 0 40 IKAB COc1ccc(N2C(=O)[C@@H]3c4[nH]c5ccccc5c4[C@H]4CCCCCCC[C@@H]4[C@@H]3C2=O)cc1 102948399 VCDXHZUBOZUMDL-WNLYKICVSA-N 442.559 5.907 0 40 IKAB CCOc1cc(C=O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 108266510 XJCOCKIJYWCWCM-UHFFFAOYSA-N 426.896 5.718 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)[C@H]1O 123242327 PJMRSXHCPMQGJA-OKCNFVLPSA-N 446.716 7.010 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3F)c2)C(=O)N1Cc1ccccc1F 214325976 MKROLBVFWRVYKW-LPYMAVHISA-N 437.467 5.780 0 40 IKAB CC(C)c1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 219419582 GMPUTOBHQCQQBL-UHFFFAOYSA-N 447.450 6.078 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1ccc(F)c(Cl)c1)S(C)(=O)=O 222506773 HVYMKZBIFQXDKM-IBGZPJMESA-N 440.968 5.094 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC(c1ccccc1)c1ccccc1 222524805 VUPMHXJZEAMIOO-IBGZPJMESA-N 434.967 5.025 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 222624431 QQVLTJAKAXYJBP-VGOFRKELSA-N 449.422 5.301 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 223226747 ROSKOAMCRQVFPC-JOCHJYFZSA-N 426.626 5.199 0 40 IKAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1 223264203 MXQVJCGOXXCURC-HOFKKMOUSA-N 442.603 5.174 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)c2ccc(CSc3ccccc3)cc2)cc1C(C)C 223267367 KOHXCYFSEHPAOL-HXUWFJFHSA-N 433.617 6.910 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 223748279 HYFGXYFZUDFOLZ-QFIPXVFZSA-N 447.044 5.464 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)c1Cl 223976745 NNPSSBJNKWWFQG-UHFFFAOYSA-N 428.816 6.149 0 40 IKAB Cc1ccc(C(=O)N[C@@H](c2ccccc2C)C(C)C)cc1NS(=O)(=O)c1ccccc1 224046545 AUHKMKIGSHUJSF-XMMPIXPASA-N 436.577 5.231 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1CSc1ccc(Cl)cc1 224347356 OFTJEQVIHVZIGJ-UHFFFAOYSA-N 433.960 7.046 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 224365102 XHAVEWQQPUWBOI-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CC(C)NC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1 224754589 VDWAOLHXHBEXRI-RUZDIDTESA-N 448.994 5.047 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=S)Nc1cccnc1Sc1ccc(Cl)cc1 225191883 WSBRWVJCKZWNMI-INIZCTEOSA-N 428.026 6.194 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225491966 BUWQNACTJVZIAX-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc3ccccc3o1)[C@H]2Cc1ccccc1 257204057 ASWVHVWGWHVLFB-QBNIMZGLSA-N 442.559 5.048 0 40 IKAB Cc1ccc(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c1 257230963 GEQLLZQPWHPGCU-UHFFFAOYSA-N 430.479 5.371 0 40 IKAB Cc1nc2ccc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)cc2s1 257247232 IYCAEXBCMMWXCS-SHTZXODSSA-N 438.578 5.420 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CN(C(=O)c3ccccc3)CCO2)n1 257321096 WABDZEPOFYMQES-QHCPKHFHSA-N 440.465 5.213 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccc(Cl)cc1 408558065 PMYVZHJOMZGNFU-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB COc1cc(NC(=O)C(=O)c2c(-c3ccccc3)cc3ccccn23)c(OC)cc1Cl 408635494 CFVKBPXDARDTTF-UHFFFAOYSA-N 434.879 5.098 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cccc(C)c4C)cc3)CC2=O)c(C)c1 408644805 SZZIOCKYLZXVKI-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2C)cc1 408725458 PHLUXTVVXKVPNW-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB Cc1cc(Cl)ccc1N[C]1NC(=O)/C(=C/c2ccccc2OCc2ccccc2)S1 408799842 LVUPWRNFMRDQFR-UHFFFAOYSA-N 435.956 5.990 0 40 IKAB Cc1ccc(S(=O)(=O)N[C@H](CC(=O)Nc2ccc(Cl)c(C)c2)c2ccccc2)cc1 408982512 YFIRXHOTUHFSAD-JOCHJYFZSA-N 442.968 5.005 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3c(C)cccc3C)n2C)c1 409163919 ZOVRXGOOCFAHNZ-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(C)c3)c(Cl)c2)C1=O 409221117 LCTVPLPOZRZMEJ-WOJGMQOQSA-N 436.360 6.327 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2CC)cc1 409329093 CQSQMHDACLAYHG-UHFFFAOYSA-N 444.988 5.132 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 409341798 CEKNFOFBNICONR-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(C)ccc2OCC(=O)O)cc1-c1ccc(F)cc1 585264427 BTBPLANVTDXFLH-UHFFFAOYSA-N 446.478 5.185 0 40 IKAB CC(=O)N1CCC(N2CCC3(CC2)CO[C@H](c2cccc(Cl)c2)[C@@H](C(C)C)C3)CC1 1615156808 XIAVUNBQCBYESQ-DNQXCXABSA-N 433.036 5.167 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1-c1ccccc1)Nc1ccc(F)cc1 744057 NECGYTKNLFTUIN-UHFFFAOYSA-N 438.915 5.458 0 40 IKAB Cc1ccc(C(=O)n2c(-c3ccccc3)cnc2SCC(=O)Nc2ccccc2)cc1 1224381 NKDYQTAUUVCOJY-UHFFFAOYSA-N 427.529 5.278 0 40 IKAB aggregator COc1ccc(OC)c(C(=O)CSc2nc(C)nc3sc4c(c23)CC[C@H](C)C4)c1 1326199 QLJBYBLBSMXJKS-LBPRGKRZSA-N 428.579 5.117 0 40 IKAB O=C(CN1CCC(c2nc3ccccc3s2)CC1)Nc1ccc(Oc2ccccc2)cc1 1335293 DVLJXNMJAGHHRT-UHFFFAOYSA-N 443.572 5.907 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1336108 BAIUCIIXWBGXNO-HSZRJFAPSA-N 440.540 5.246 0 40 IKAB C1=C(c2ccccc2)[C@@H](O[C@H]2Oc3ccccc3C=C2c2ccccc2)Oc2ccccc21 1629001 YAKDOYHRLNCZJM-LOYHVIPDSA-N 430.503 6.922 0 40 IKAB Cc1cc(NCCCCCCNc2cc(C)nc3ccc(N)cc23)c2cc(N)ccc2n1 1727083 OTPLCLOHTAPVEK-UHFFFAOYSA-N 428.584 5.649 0 40 IKAB in-vivo CC(C)(C)c1ccc(Oc2coc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1807462 GMEKRXWPBKMQST-UHFFFAOYSA-N 432.447 6.241 0 40 IKAB Nc1nc(F)c(Cl)c(Oc2ccccc2Oc2c(F)c(N)nc(F)c2Cl)c1F 2202266 UYVZRWBNDATNIC-UHFFFAOYSA-N 435.164 5.089 0 40 IKAB Cc1ccc(-c2cc(C(F)(F)F)n3nc(C(=O)N4CCCCCC4)c(Cl)c3n2)cc1 2302257 PQOHXHNCHGUWNG-UHFFFAOYSA-N 436.865 5.393 0 40 IKAB CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCc4ccc(OC)cc4)c23)CO1 2404150 SPTHASJSUQSBPB-OAQYLSRUSA-N 432.636 5.956 0 40 IKAB COc1cc2c3nnc(-c4ccc(Cl)cc4)c-3cn(Cc3ccccc3F)c2cc1OC 2691920 SOOZAZYGALFFAT-UHFFFAOYSA-N 447.897 6.061 0 40 IKAB Cc1nc2ccccc2c(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)c1C 3216566 WHDOMTFAPLDSHY-UHFFFAOYSA-N 437.710 5.607 0 40 IKAB CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)OCc1ccccc1 3305364 JVEWVIKITJRWHN-UHFFFAOYSA-N 441.505 5.358 0 40 IKAB CC(C)Cc1ccc([C@@H](C)NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)cc1 3413074 CKEGNAVGLWLNPB-QFQXNSOFSA-N 428.576 5.104 0 40 IKAB COc1ccc(/C=C(/CC(=O)O)c2nc3ccccc3s2)cc1OCc1ccccc1 3884661 VSTJYONYTZWUFM-UYRXBGFRSA-N 431.513 5.899 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(N2CCCCC2)c(Cl)c1 5616351 ULSFXDKQZXSHQA-UHFFFAOYSA-N 426.988 6.396 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCCc2ccccc21 8446077 QUOIFKFUOCPKHR-UHFFFAOYSA-N 445.975 6.022 0 40 IKAB O=C(OCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 8451527 YFLSUMYBJLMMEU-UHFFFAOYSA-N 425.271 6.067 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cc(C)cc(C)c2)c2c(C)oc(C)c12 8740238 QXSPVYASSPDKHY-BYNJWEBRSA-N 441.527 6.693 0 40 IKAB biogenic CC(=O)[C@H](Sc1nc2scc(-c3ccccc3Cl)c2c(=O)n1C)c1ccccc1 8745768 YJDKDZNISJCMGH-IBGZPJMESA-N 440.977 5.738 0 40 IKAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3)c3ccc(Cl)cc32)c(C)c1 8922022 CAEJKNUQJRIMKO-AREMUKBSSA-N 433.935 5.273 0 40 IKAB O=C(Nc1nnc(-c2ccccc2)s1)c1cccc(NC(=O)c2cc3ccccc3o2)c1 9062178 QYXQRCMMTICBAY-UHFFFAOYSA-N 440.484 5.456 0 40 IKAB C/C(=C\c1ccccc1)[C@@]1(C(=O)Nc2c(C)cccc2C)CC(=O)N1c1ccc(C)cc1C 9129676 CILWHKZGNONVLU-LPEFSEJTSA-N 438.571 6.138 0 40 IKAB Cc1cccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)c1 9250116 CMQHQGPMERHHAM-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4c(C)cc(C)cc4C)ncnc32)c(C)c1 9517740 QSPSNNGEMWLIQC-UHFFFAOYSA-N 431.565 5.088 0 40 IKAB C[C@H]1Oc2ccc(NC(=O)c3cc(-c4ccc(F)cc4)nc4ccccc34)cc2NC1=O 9910266 GMAPZGLJSSGGOE-CQSZACIVSA-N 427.435 5.013 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc3ccccc23)cc1C 10246364 WIHGISFZNQYRHH-UHFFFAOYSA-N 434.495 6.707 0 40 IKAB COc1ccc(CN(Cc2cc3cc(C)ccc3nc2Cl)C(=O)c2ccccc2)cc1 12493671 INDXATSMZIHYIT-UHFFFAOYSA-N 430.935 6.048 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nc2cc(Cl)ccc2c(=O)n1C(C)C 12600407 CRGVFPHXCCAAPV-UHFFFAOYSA-N 425.941 5.396 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cc(Br)ccc1Cl 12600610 RVXLAJWXRNFIQJ-MRRJBJDNSA-N 431.754 5.263 0 40 IKAB COC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1cc(C)c2ccccc2n1 12649196 YMNQCIVONOLVLH-UHFFFAOYSA-N 448.569 5.789 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C[C@H]3CCCO3)C(=O)Nc3ccccc3Cl)cc12 12706074 YBSNLPZYGLJYDK-GOSISDBHSA-N 439.943 5.011 0 40 IKAB O=C(CCSc1nn(-c2ccc(Cl)cc2)c(=S)s1)Nc1ccc(F)c(F)c1 12821512 FRNWYVOAEFKSOF-UHFFFAOYSA-N 443.953 5.716 0 40 IKAB O=C(CSC1=N[C@@H](c2ccccc2)C[C@H](C(F)(F)F)N1)Nc1ccc(Cl)cc1 12848151 BYHXSIPDCNVOCY-HZPDHXFCSA-N 427.879 5.033 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)COc2ccccc2C(C)C)c1 13008626 CMNSKVANKXLYST-OAQYLSRUSA-N 444.575 5.937 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1cc2sccc2n1Cc1ccc(F)cc1 13083099 UOMPJMLGGSFUQU-UHFFFAOYSA-N 440.543 6.410 0 40 IKAB CC(C)n1ncc2c(C(=O)N3CCC(c4nc5ccccc5s4)CC3)cc(C3CC3)nc21 13109962 CRXYYMCSVTUUFN-UHFFFAOYSA-N 445.592 5.519 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)c(C)n1C 13139980 IYIAFOKFRYQJTJ-UHFFFAOYSA-N 430.426 5.444 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]23C)[C@@H]1c1ccccc1 13408846 SSHZMKOIMDTLHW-CDLBSUQRSA-N 446.631 6.541 0 40 IKAB biogenic Cc1ccc([C@@]2(CCNC(=O)c3ccc(Br)o3)CCO[C@@H](C(C)C)C2)cc1 13555288 HWGMGUWZMIRCFG-KNQAVFIVSA-N 434.374 5.243 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(-c4ccccc4)cc3)c2)cc1 13628035 HNAUOYLXZNUBKW-UHFFFAOYSA-N 448.566 7.156 0 40 IKAB CCc1nc(SCC(=O)Nc2ccc(OC)c(Cl)c2)c2oc3ccccc3c2n1 13816764 WIJFIPMBUNJSCG-UHFFFAOYSA-N 427.913 5.331 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)CSc4ccc(Cl)cc4)ccc3Cl)oc2c1 14272172 JALSYSZYCFTIAM-UHFFFAOYSA-N 443.355 6.841 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)C(=O)O2)cc1 15980270 ZKOVKMIPGVWFRK-MOSHPQCFSA-N 440.326 6.895 0 40 IKAB O=c1[nH]c2ccc(NCc3cc(Cl)cc(Cl)c3OCc3ccc(Cl)cc3)cc2[nH]1 16401687 NWHWFMQAILEAMB-UHFFFAOYSA-N 448.737 6.008 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)cc1 16789316 AKVVBMGSTWZUBD-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB O[C@@]1(C(F)(F)F)CC(c2cccc3ccccc23)=NN1c1nc(-c2ccccc2)cs1 16949292 NSQHJCIXNPTTLI-JOCHJYFZSA-N 439.462 5.829 0 40 IKAB CC[C@H](NC(=O)c1c(-c2c(F)cccc2Cl)noc1C)C12CC3CC(CC(C3)C1)C2 17097274 JBPHPGIIBYURDY-WGERFFLFSA-N 430.951 6.167 0 40 IKAB CCCCn1c(SCc2nc(-c3ccc(OC)cc3)oc2C)nc2ccccc2c1=O 17271551 SMQULQMWEJXBHV-UHFFFAOYSA-N 435.549 5.461 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)c2ccc(F)cc2)cc1 19644245 NYIGOBXIVUPCHU-UHFFFAOYSA-N 446.305 6.156 0 40 IKAB COc1ccc(Br)c2c1-c1nc(NC(=O)c3ccccc3Cl)sc1C2 21006043 DGJFPQJQTZZJES-UHFFFAOYSA-N 435.730 5.391 0 40 IKAB O=C(CCc1nc(CSc2nc3ccccc3s2)no1)Nc1cccc(Cl)c1 21157521 AGQKGDDTDSOWCS-UHFFFAOYSA-N 430.942 5.196 0 40 IKAB Cc1c(Cl)cccc1Nc1nnc(SCC(=O)Nc2ccnn2C2CCCC2)s1 21731232 DJULXUZMIPPQFZ-UHFFFAOYSA-N 449.005 5.286 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(F)c2)N2CCN(C)CC2)c1C 23292215 RYCSKYSCBDIEFB-QHCPKHFHSA-N 437.584 5.093 0 40 IKAB Clc1ccc(-c2nnc(SCc3nc(-c4ccco4)no3)n2-c2ccccc2)cc1 24833757 IRIBIXYRSHXGKM-UHFFFAOYSA-N 435.896 5.523 0 40 IKAB Cc1ccc(CN2CCN(c3cc(C(C)C)nc4c(-c5ccccc5)cnn34)CC2)c(C)c1 27585274 YHDKQCZEJDIFAV-UHFFFAOYSA-N 439.607 5.459 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 31317586 CDCFWYLFQXMULO-UHFFFAOYSA-N 446.498 5.126 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(COc3ccc(Cl)cc3Cl)o2)c(C)c1 32691915 BDZBUIUMCJCEFB-UHFFFAOYSA-N 438.336 5.303 0 40 IKAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccccc3Cl)n2)c1 33327294 YMDCLMPWPZSSDL-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB c1ccc([C@@H]2N[C@H](c3ccccc3)C3(c4ccccc4-c4ccccc43)[C@H]2c2ccccc2)cc1 35188528 CXHSWOPDKRTKSI-XFCANUNOSA-N 449.597 7.823 0 40 IKAB COc1ccccc1Nc1c(-c2cc(Br)ccc2O)nc2ccc(Cl)cn12 35622060 ZUCJWKCUZSUFMF-UHFFFAOYSA-N 444.716 5.875 0 40 IKAB COc1ccc(F)c(CN2[C@H]3CC[C@@H]2c2cnc4cc(-c5cccc(C)c5)nn4c2C3)c1 57761862 YZKYGPBGTGLNCH-YADARESESA-N 428.511 5.114 0 40 IKAB O=C(c1ccc2oc(-c3cc(Cl)cc(Cl)c3Br)nc2c1)N1CCCC1 59843054 PVHWRSZHXVLGND-UHFFFAOYSA-N 440.124 5.800 0 40 IKAB Cc1cc(Cl)ccc1NC(=S)Nc1ccc(S(=O)(=O)N2CCCCCC2)cc1 71760660 QXJVYQYDGVDRNZ-UHFFFAOYSA-N 438.018 5.022 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CCCC1 72215651 QQHSVEQZYBKFQP-FQEVSTJZSA-N 445.604 6.228 0 40 IKAB CC[C@@H](C)N1C(=O)c2ccccc2[C@@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72400794 AZFGEWGBZDEHLC-BEFAXECRSA-N 438.597 5.095 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(OC)cc1 100429580 QPJOZWQOFMZQPP-DNOBIOAJSA-N 442.515 6.248 0 40 IKAB CCc1ccc([C@@H]2[C@@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@H]3ON2c2ccccc2)cc1 101090326 ZVBJMQNTKVGGNM-VJGNERBWSA-N 448.522 5.453 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3C[C@H](O)[C@]4(O)C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C)C(C)C 118912508 VGSSUFQMXBFFTM-GTQUWJOWSA-N 448.732 6.190 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc2C)c1 216383563 SIKSLMHQDYCCIS-HSZRJFAPSA-N 448.588 5.220 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 222743806 BJZKCNUTFLPWNT-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222968564 USDGMJLUROKPLZ-KRWDZBQOSA-N 449.422 5.566 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccccc1C)C(=O)CCCSc1ccc(Cl)cc1 223009310 OYLLCPWGNYKKBG-OAQYLSRUSA-N 433.017 5.074 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cn2c3c(cc(Br)cc3c1=O)CC2 223102383 WYEFHQUMHTWONJ-UHFFFAOYSA-N 425.326 5.004 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CCSc1ccc(C)cc1 223272738 JAKVJMGNPPMQLV-QHCPKHFHSA-N 440.653 5.508 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1 223814714 PTRKDQCSDJKTCZ-SFHVURJKSA-N 445.028 5.049 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccccc1)[C@@H](Cc1ccccc1)C(=O)NC(C)(C)C 224193377 BQQFQCQCZVWCER-SANMLTNESA-N 442.603 5.092 0 40 IKAB COc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1CSc1ccc(C)cc1 224340325 XPWZGJGEFYWFSH-UHFFFAOYSA-N 445.628 6.391 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C 224373975 YTURQXNABGNPJS-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224384496 DIXKDBAOOLDDNR-FTJBHMTQSA-N 444.648 6.689 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 224625954 HOOBILPXWXYLNH-QHCPKHFHSA-N 429.004 5.161 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224871943 YYGRYUBWVAUWNP-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc(OC)cc3)o2)cc1 224916254 MVYRYLGLAHCUGY-UHFFFAOYSA-N 428.488 5.346 0 40 IKAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)c(C)c1 224943730 AZNOOBWEUBCGIJ-UXHICEINSA-N 441.398 5.151 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1cc(C)cc(C)c1 225095351 RTVBRWXDDRQNBE-FGZHOGPDSA-N 440.653 5.177 0 40 IKAB CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1Cl 225558073 BYIFUPCJRPQOLS-UHFFFAOYSA-N 426.771 6.886 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCc2ccccc2)c(C)c1 225743107 HHIYAEOTDVJFSB-UHFFFAOYSA-N 425.613 6.770 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(O[C@H](C)COC)c(Cl)c1 225743518 TWURZHZLPJVXPX-GOSISDBHSA-N 428.013 5.950 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2cccc(N3CCCC3=O)c2)c2ccccc2)c(C)c1 225769380 SUSMOILANGJCGO-RUZDIDTESA-N 429.589 5.506 0 40 IKAB C[C@@H]1C[C@H](NC(=O)Nc2cccc(NC(=O)N[C@H]3C[C@@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 239434046 YXOHRYLHCVUPMD-UBBRYJJRSA-N 442.648 6.359 0 40 IKAB CC(=O)N1CC[C@@H]2[C@H](CCCCN2Cc2cc(Cl)ccc2OCc2ccccc2)C1 257237652 HHMKTIZQKDXZFR-ZJSXRUAMSA-N 426.988 5.142 0 40 IKAB CCn1cc(CN2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)c2ccc(F)cc21 257240493 HTTBTFYFFDGAFA-AREMUKBSSA-N 431.530 6.262 0 40 IKAB COc1cccc(C(=S)N2CCC(C)CC2)c1OCc1ccc(Br)cc1 408578574 YWDFTVLYGGQRGS-UHFFFAOYSA-N 434.399 5.444 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(Cl)cccc3Cl)cc2)cc1 408579863 KSXLJXQDBFDXLL-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccccc4C)cc3)CC2=O)cc1 408647728 XICUZMSJTDYWRL-LJQANCHMSA-N 430.504 5.178 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)cc2)n1 408698891 SQUMLJRLZCWOBG-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1ccc(NC(=O)COc2ccccc2/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 408903471 YIIMITSYFGXHMR-PXLXIMEGSA-N 444.512 5.253 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccccc4C)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409038567 AAERZSBXBXAUNV-ALMNYQQGSA-N 445.562 6.035 0 40 IKAB Clc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccccc2Cl)cc1 409091553 VCHXOMGOOYYDOG-UHFFFAOYSA-N 426.372 6.457 0 40 IKAB Fc1ccc(Cn2cc(C(=S)N3CCCCC3)c3cc(Br)ccc32)cc1 409199592 PGIZQYVENDQOAB-UHFFFAOYSA-N 431.374 5.753 0 40 IKAB Cc1ccc(OCc2nc(-c3ccccc3OCc3ccccc3)ccc2C(=O)O)cc1C 585265454 MLWQBPMYHDHSGJ-UHFFFAOYSA-N 439.511 6.222 0 40 IKAB CC(C)C[C@H]1COc2ccccc2CNc2ccccc2CN1C(=O)CCCn1cccn1 643581835 CIJKTSBCHSMERS-DEOSSOPVSA-N 446.595 5.111 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2ccc(Cl)cc2)Cc2ccccc21 643588912 MBYFLNSYNJHXDR-UHFFFAOYSA-N 426.988 5.936 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2c(C)cccc2C)n1-c1ccccc1 649473 QHEOVGKFMJLFAM-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCOc1ccc2nc(Cl)c(CN(CCc3ccc(OC)cc3)C(=O)C3CC3)cc2c1 1339470 UMFUJYJKYNFGHZ-UHFFFAOYSA-N 438.955 5.277 0 40 IKAB CC(=O)c1ccc(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)cc1 1377452 FRAXCAKPMOLBET-UHFFFAOYSA-N 439.606 5.627 0 40 IKAB COc1ccc(OC)c(C(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c1 1377464 ROFDYJWOUWHHOT-UHFFFAOYSA-N 442.606 5.686 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccn(Cc2cccc(C(F)(F)F)c2)c1=O 1391126 WVYHMRNHLNGBFX-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB O=c1cc(-c2ccccc2)oc2c(OCc3ccccc3)c(OCc3ccccc3)ccc12 1611397 QCZXJMIIWVNNMN-UHFFFAOYSA-N 434.491 6.618 0 40 IKAB CC(C)CCSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)C[C@@H](C)CC4 1898838 HHVAAFUPGPGCAN-HNNXBMFYSA-N 438.622 5.358 0 40 IKAB Cc1cccc(C)c1Oc1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(F)cc2)cc1 2079653 DAQJICUCHDRQSQ-UHFFFAOYSA-N 449.478 5.380 0 40 IKAB O=c1cc(-c2ccccc2)c2ccc3c(c2o1)CN(c1cccc(Br)c1)CO3 2122395 RDOPWZJFTRAWJJ-UHFFFAOYSA-N 434.289 5.579 0 40 IKAB biogenic Brc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1 2332859 OWSSYKJUUWTEFB-PMACEKPBSA-N 445.154 6.442 0 40 IKAB COc1ccc(-c2nc3ccccc3c(=O)n2CCCCOc2ccc(C(C)C)cc2)cc1 2390559 BMRBOEARZKQSDV-UHFFFAOYSA-N 442.559 6.055 0 40 IKAB Cc1ccc(CSc2oc(-c3ccco3)nc2S(=O)(=O)c2ccc(F)cc2)cc1 2721848 FBOKURKKXAWETD-UHFFFAOYSA-N 429.494 5.507 0 40 IKAB COc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccco2)C[C@@H]3C(F)(F)F)cc1Cl 3012895 SJWWGBKWTLRJPC-XJKSGUPXSA-N 440.809 5.051 0 40 IKAB CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)cc1 3226442 PJTWCUDHDPWEOL-UHFFFAOYSA-N 444.575 6.326 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)NCc1ccc(Cl)cc1 3309034 CMAYNZJZDDPMQP-UHFFFAOYSA-N 437.927 5.498 0 40 IKAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(=O)N1CCc2ccccc2C1 3325294 SBLNOVJRPAWCTB-MRXNPFEDSA-N 431.586 5.424 0 40 IKAB O=C(c1oc2ccccc2c1CSCc1ccccc1)N1CCN(c2ccccc2)CC1 3377237 SLAMLNRVRUQSNN-UHFFFAOYSA-N 442.584 5.829 0 40 IKAB Fc1cccc(-c2nnc(-c3ccc(OCc4cccc(Br)c4)cc3)o2)c1 3619128 YJKRCNDYDYGWSF-UHFFFAOYSA-N 425.257 5.884 0 40 IKAB CCOc1ccc2cc3c(N)c(C(=O)Nc4ccc(C5CCCCC5)cc4)sc3nc2c1 6134313 XDEJTAIUKWYSPP-UHFFFAOYSA-N 445.588 6.730 0 40 IKAB Cc1cc(C)c2cc(CN(C(=S)NCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6301266 TWBMHEWUPBVULC-UHFFFAOYSA-N 433.621 5.354 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C3=NN(c4ccccc4)[C@H](c4ccccc4)C3)cc2)cc1 8399267 DEECGEXOOATKHO-NDEPHWFRSA-N 447.538 6.303 0 40 IKAB C[C@H]1[C@@H](c2ccc(Cl)cc2)N[C@@H](c2ccc(Cl)cc2)[C@H](C)C1(O)c1ccc(F)cc1 8721044 CRQSSISIXUBQTB-ZXQJKGHWSA-N 444.377 6.678 0 40 IKAB O=C(NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1Cl)c1ccccc1Cl 9063981 WEUQTVMKTUVZFI-UHFFFAOYSA-N 441.343 5.664 0 40 IKAB CCCCOc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 9085836 SLGJSGHSAKMINS-XRKRLSELSA-N 440.587 7.231 0 40 IKAB CCCc1nc2c(sc3nc4c(cc32)COC(C)(C)C4)c(=O)n1CCc1ccccc1 9193023 GQIGBFTYDGXPND-UHFFFAOYSA-N 433.577 5.053 0 40 IKAB O=C(c1ccccc1Br)N(Cc1cc2ccccc2[nH]c1=O)C1CCCCC1 9282122 OBOMZEKYCKUFTR-UHFFFAOYSA-N 439.353 5.266 0 40 IKAB O=C(Nc1oc2ccccc2c(=O)c1-c1cccc2ccccc12)c1ccc(Cl)cc1 9327689 CEGINPRPZZFCNN-UHFFFAOYSA-N 425.871 6.519 0 40 IKAB CCOc1ccccc1NC(=O)CSc1cn(Cc2ccccc2C)c2ccccc12 9394403 NOXIQXRBLVJCFE-UHFFFAOYSA-N 430.573 6.128 0 40 IKAB CC(C)(C)c1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 9408984 WOBPUSRDWMVJPI-DEOSSOPVSA-N 427.504 5.418 0 40 IKAB Cc1ccc(C(=O)N2CCc3sccc3[C@@H]2c2cccs2)cc1NC(=O)c1ccco1 9463387 DOHWFHAAQUEEDI-JOCHJYFZSA-N 448.569 5.751 0 40 IKAB O=C(c1ccc(-c2nc3ccccc3s2)o1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 9798311 IPTHQLKJPNXHDL-QGZVFWFLSA-N 432.501 5.305 0 40 IKAB COc1ccc(-c2cc3ccccn3c2C(=O)C(=O)Nc2cccc(Cl)c2)cc1Cl 10119210 BNIIFFRBKFONRJ-UHFFFAOYSA-N 439.298 5.743 0 40 IKAB CSc1ccc(CC(=O)N(C[C@H]2CCCO2)c2nc3c(Cl)cccc3s2)cc1 10872817 VXOYVFAIXWYPGF-OAHLLOKOSA-N 432.998 5.426 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(Oc4ccccc4)cc3)n2)cc1OC 11617243 IQOYOSVTDMCJCK-UHFFFAOYSA-N 432.501 5.872 0 40 IKAB CCc1cc2c(-c3nn4c(-c5ccc(Br)cc5)nnc4s3)csc2s1 12377815 SUKCZXGJQFDHPW-UHFFFAOYSA-N 447.408 6.121 0 40 IKAB CC1(C)Cc2c(sc3ncn4nc(OCc5ccc(Cl)cc5Cl)nc4c23)CO1 12406868 VQSMWTRHNYPUTN-UHFFFAOYSA-N 435.336 5.076 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)c3ccc4oc5ccccc5c4c3)n2C)c(Cl)c1 12447195 ZJFYPKZTWWJEET-UHFFFAOYSA-N 447.947 6.318 0 40 IKAB CC(C)c1ccc2c(c1)C(c1ccc(N3CCOCC3)cc1)=NNC(c1ccc(F)cc1)=N2 12497793 ZZYZTXGWFSAFMM-UHFFFAOYSA-N 442.538 5.220 0 40 IKAB O=C(Nc1ccc(N2CCN(Cc3ccc(F)cc3)CC2)cc1)c1cccc2ccccc12 12843162 DSUKMZNKKNRQEE-UHFFFAOYSA-N 439.534 5.553 0 40 IKAB Cc1noc(C)c1CSc1ccccc1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 13120265 AAATVJFGQAZXQO-INIZCTEOSA-N 434.517 5.493 0 40 IKAB COc1ccc(C(=O)N(Cc2nc(-c3cccc(C)c3)no2)C2CCCCC2)cc1OC 13567036 YECBIEDGYGJSRG-UHFFFAOYSA-N 435.524 5.037 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1[C@H](C)Oc1ccccc1Cl 13870829 FBXQASHWCBNLMM-HNNXBMFYSA-N 430.961 5.131 0 40 IKAB CCN(CC)Cc1nc(NCc2coc(-c3cccs3)n2)c2c(C)c(C)sc2n1 14129593 ZCQLLSMFTPYXLO-UHFFFAOYSA-N 427.599 5.479 0 40 IKAB CC1(C)CC2=NN(c3ccccc3)[P@](=O)(Nc3ccccc3)C2=C(N2CCOCC2)C1 15906614 YWNVRWAAUIRNFC-WJOKGBTCSA-N 436.496 5.532 0 40 IKAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Br)cc2)nc1 16736361 SFJTUGPDVJAAHX-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccccc4)cc3)c2C(N)=O)C1 17098160 FUULXZYRNXNQIR-LJQANCHMSA-N 432.589 5.917 0 40 IKAB CC(C)(C)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](C1CCN(C(=O)C[C@H]3C=CCC3)CC1)N2 19084120 QQTQXGPYILOTRZ-VDZJLULYSA-N 438.538 5.063 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Oc3ccccc3)cc2)cc(OC)c1OC 19926955 TZMAXQNAFUBUFQ-DEOSSOPVSA-N 437.517 5.283 0 40 IKAB c1ccc(CCNc2ncnc3c2sc2nc(N4CCCCC4)c4c(c23)CCCC4)cc1 20029236 AZPZYFCQAKREES-UHFFFAOYSA-N 443.620 5.763 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3C)cc2s1 20894896 SAIZMJBSVFAFGE-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB Cc1ccc(CSc2nc3ccc(NC(=O)c4ccc5c(c4)OCO5)cc3s2)cc1 20895237 WOJVJGYVLPULHX-UHFFFAOYSA-N 434.542 5.878 0 40 IKAB CCOc1ccc(CCNC(=O)c2ccccc2SCc2cccs2)cc1OCC 21703557 NSOUFBNFEGPBEU-UHFFFAOYSA-N 441.618 5.810 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(c2cccc(Cl)c2C)S(=O)(=O)c2ccccc2)c1 22274932 RPEWOFIPMCPBOY-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccncc2)cc1C 24226912 GCZOQXILSMEVNS-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB C[C@H](NC(=O)CCSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 32870754 CDZMARHFMDWKNS-SFHVURJKSA-N 448.617 5.415 0 40 IKAB CCOc1cc(C(=O)Nc2cccc3ccccc23)cc(I)c1OC 33616737 LAIYAPGHRARQBN-UHFFFAOYSA-N 447.272 5.104 0 40 IKAB O=C(O)C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCC1c2ccccc2-c2ccccc21 33679591 SXHPYIHTNVXINO-GOSISDBHSA-N 440.499 5.092 0 40 IKAB O=C(O)CS/C(=C/c1ccc(OCc2cscn2)cc1)c1nc2ccccc2s1 40050367 WKNCEEDKPXJXKJ-DJKKODMXSA-N 440.571 5.648 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 44850231 BWEIGJCQYCXUIG-UHFFFAOYSA-N 430.857 6.174 0 40 IKAB Cc1cc(-n2cnnc2)cc(-c2nc3cc(-c4ccccc4)cc(Br)c3o2)c1O 45920623 MSODBPBJJXBVOR-UHFFFAOYSA-N 447.292 5.519 0 40 IKAB COc1ccc(-n2c(SCc3ccccc3C(F)(F)F)nc3ccccc3c2=O)cc1 67258871 AKLMASBPNKKPEP-UHFFFAOYSA-N 442.462 5.705 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)/C=C/c2cc3cc(Br)ccc3o2)cc1 67339910 JZACGRHZASFOQH-CSKARUKUSA-N 428.282 5.414 0 40 IKAB COc1ccc(CCC(=O)N2CCC[C@@H](c3cncc(-c4cccc(Cl)c4)n3)C2)cc1 72359568 VFARTXMIJYMDKX-HXUWFJFHSA-N 435.955 5.144 0 40 IKAB O=C(CCc1cccc(Cl)c1)N1CCC(c2ccc(Nc3ccc(F)cn3)cn2)CC1 72374309 IKKSRPRWYUOHRV-UHFFFAOYSA-N 438.934 5.352 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)n2)n1 72375387 SPBUANLSPGEGSL-NRFANRHFSA-N 444.514 5.138 0 40 IKAB C[C@H]1CN(c2ccc(NC(=O)c3nc(Cl)c(Cl)c(Cl)c3Cl)cc2)C[C@@H](C)O1 95957194 PSVNWGQGOJNVSA-AOOOYVTPSA-N 449.165 5.561 0 40 IKAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(Cl)ccc1Cl)c1nc3ccccc3nc12 100867617 JYBVZJLFWMPHMK-DHIUTWEWSA-N 426.347 5.904 0 40 IKAB CCCn1c(-c2ccc(C)cc2)c(NC(=O)c2cccs2)s/c1=N/c1ccccc1 101337135 OTNFJYGGDGWCRV-OCOZRVBESA-N 433.602 6.481 0 40 IKAB CCCN1c2ccccc2N=C2C[C@@H](c3ccccc3)CC(O)=C2[C@@H]1c1ccc(OC)cc1 102671301 HTLLYNIQBSCNJA-MNNSJKJDSA-N 438.571 7.129 0 40 IKAB CCOC1=CC(=O)O[C@]2(CC[C@]3(C)[C@H]4CC[C@]5(C)[C@@H](OC(C)=O)CC[C@H]5[C@@H]4CC[C@@H]3C2)C1 118936514 KBYQUXJAZCAIJT-BJYBTKEDSA-N 444.612 5.567 0 40 IKAB O=C1S/C(=C/c2cccc(OCCOc3ccccc3)c2)C(=O)N1Cc1ccccc1 214044256 IOADPPXVGQEPRQ-HAVVHWLPSA-N 431.513 5.381 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1cc2ccccc2oc1=O 217651282 DQUMVNBFIKTCGL-UHFFFAOYSA-N 442.471 5.975 0 40 IKAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(C(F)(F)F)c2)S1 222623664 SKIGSZINOSZADX-GKCIPKSASA-N 428.483 5.480 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(C)cc1 222686843 KLJQABSJBXHYNZ-JOCHJYFZSA-N 449.422 5.566 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223943344 QOVCXMCTHPBSHR-QGZVFWFLSA-N 447.406 5.402 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(NC(=O)C(C)C)c(C)c2)o1 224077912 UBYDMOPBEFIYAA-VXKWHMMOSA-N 434.565 5.063 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224113782 CRWCXAUJXKHFKM-QFIPXVFZSA-N 445.028 5.298 0 40 IKAB Cc1c([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n(-c2ccccc2)c1C 224187187 GMTULSXEGIPRFC-CLJLJLNGSA-N 438.600 5.975 0 40 IKAB Cc1cccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccccc3)ccc2Cl)c1C 224330729 JBIVBLVINJYNEN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)cc1 224344979 DXCMCNORTNKWMQ-RPBOFIJWSA-N 440.572 5.317 0 40 IKAB Cc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224426745 GUMDQYFYYAYDGZ-DNQXCXABSA-N 428.536 5.497 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCSc1ccc(C)cc1 224519104 NTXYHDJDRXNBCT-HSZRJFAPSA-N 426.626 5.057 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 224553663 BJWHPDJNQVAYOB-UHFFFAOYSA-N 444.940 5.182 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225369527 DXYJQSPDVYIRHQ-DEOSSOPVSA-N 441.015 5.181 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@H](C)C4)cc3)CCCCC2)c1 225539959 FHOKZLOZHOOOTM-ZEQRLZLVSA-N 448.651 6.192 0 40 IKAB CCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCN2C[C@H](C)C[C@@H](C)C2)cc1 225696245 OPLKKICZTYAUML-DHIUTWEWSA-N 446.676 5.849 0 40 IKAB COc1c(Cl)cc(-c2nc3cc(N4Cc5ccccc5C4=O)cc(C)c3o2)cc1Cl 226286739 GBXSIWURJMSHIK-UHFFFAOYSA-N 439.298 6.279 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1 257211883 CAXSLRJMFYCLJW-JOCHJYFZSA-N 430.552 5.085 0 40 IKAB Cc1ccc(Cc2cc(C)nc([C@@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)c2)cc1 257267308 MGSADMUAVSYVRG-MHZLTWQESA-N 432.612 5.257 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)c2c1 257271464 MYLCIIXTOWVHCU-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB COc1ccc(F)cc1-c1ccc(CC2(C(=O)NC3CCCCC3)CCOCC2)cc1 257280935 OMZOTPXYFBOUJQ-UHFFFAOYSA-N 425.544 5.290 0 40 IKAB Cc1c(C(=O)N2CCC[C@H](c3ccc(Cc4c(F)cccc4F)cn3)C2)oc2ccccc12 257315852 VCZZQCZGKDXSIJ-IBGZPJMESA-N 446.497 6.025 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 408576890 YOVUWAORADBLIS-DTQAZKPQSA-N 427.887 6.483 0 40 IKAB CC(C)CNC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 408593631 MVHMMHYBSKEVTR-UHFFFAOYSA-N 439.537 5.057 0 40 IKAB CS(=O)(=O)N(CC(=O)Nc1ccccc1Oc1ccccc1)c1cccc2ccccc12 408621315 REEMEXAOWWRTHN-UHFFFAOYSA-N 446.528 5.037 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3ccc(OCC)cc3)n2)cc1 408696320 ZSDIUJIMJKLDRI-UHFFFAOYSA-N 442.519 5.292 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(C)cc2)cc1 408696990 DHJPXXZBIRUPNG-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1nc(-c2ccccc2)n(-c2cccc(Cl)c2C)n1 408697014 DPNYOZDXCLOOCA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3Cl)nc2-c2ccccc2)cc1Cl 408698248 OEQYXVUZHRUBOR-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(CSCc2ccccc2)cc1 408776578 WFERSLNIBCQQLM-UHFFFAOYSA-N 425.553 7.165 0 40 IKAB CCc1ccc(-n2c(Cc3ccccc3)nnc2SCc2cccc3ccccc23)cc1 409099134 QOBMUEGQCLRXEJ-UHFFFAOYSA-N 435.596 6.866 0 40 IKAB Clc1ccc(OCc2ccc(Br)cc2)c(CNc2ccccc2Cl)c1 409179266 OHLRNZFLKXUOJX-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(CCC(=O)OCc1ccc(Cl)c(Cl)c1)Nc1nc(-c2ccccc2)cs1 409182417 LXRONFYYDTYMGI-UHFFFAOYSA-N 435.332 5.579 0 40 IKAB COc1cc(CNc2cc(C)ccc2C)cc(Cl)c1OCC(=O)Nc1cccc(C)c1 409260173 LZYXGICEWDUIRY-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB O=C1S/C(=C\c2coc3c(Cl)cc(Cl)cc3c2=O)C(=O)N1CCc1ccccc1 409382507 NWULKUFZSGYQLK-IUXPMGMMSA-N 446.311 5.379 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1S(=O)(=O)Nc1cccc(C)c1C 409410850 RDWZQWBVHIEXKR-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CCOc1ccc(CN2CCOCCOc3ccc(CC)cc3Cc3cccc(c3)C2)cc1 643563823 YQXBDGFTBQVILE-UHFFFAOYSA-N 445.603 5.650 0 40 IKAB CCOc1ccc(NC(=O)CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1 869879 VXQAZOZZTMYITA-UHFFFAOYSA-N 436.581 5.445 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C[C@H]1CCCO1 924838 HMSXTBWSNQGTGY-TZIWHRDSSA-N 435.593 5.465 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NC2CCCC2)c2ccsc2)c1 1333683 BTBRZKWIVFIALA-HSZRJFAPSA-N 438.618 5.494 0 40 IKAB aggregator Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)c(C)c1 1859173 WYQMPNTXEMSLCQ-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB c1ccc(COc2ccccc2OCCOc2ccccc2OCc2ccccc2)cc1 2026713 RGFYBNQQIXODGA-UHFFFAOYSA-N 426.512 6.302 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(SC)cc1)Nc1ccccc1-2 2073677 GWXZMCUDGAGMQB-NRFANRHFSA-N 438.622 6.436 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(Cc1ccco1)C3=O 2198789 XQMREIJWUQOIMH-FQEVSTJZSA-N 440.282 5.747 0 40 IKAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(OC)c(COc2cccc(C)c2C)c1 2232852 YUTLANBDBUVLAO-SANMLTNESA-N 430.548 5.868 0 40 IKAB Cc1ccc(-c2c(NC(=O)c3ccccc3Cl)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2353981 QYICMJPFXFEMKI-UHFFFAOYSA-N 443.934 5.730 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 2409054 PNXJUOZIIITCMD-NRFANRHFSA-N 446.528 5.323 0 40 IKAB COC(=O)c1c(NC(=O)C2c3ccccc3Oc3ccccc32)sc2c1CC[C@H](C)C2 2749931 YRPOXCWHSFFVKE-AWEZNQCLSA-N 433.529 5.536 0 40 IKAB CCc1cccc(CC)c1NC(=O)COC(=O)c1cc(-c2ccco2)nc2ccccc12 3291139 YYEFMJBPRFDPPV-UHFFFAOYSA-N 428.488 5.415 0 40 IKAB Cc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)N[C@H]2CCCc3ccccc32)cc1 3432240 UTKBPVALVYZDGU-ZAFHEYGESA-N 433.555 6.055 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)NCc3ccc(Cl)cc3)[C@@H]2c2cccs2)cc1 3438041 GJIQCFJDGSIYMZ-NFBKMPQASA-N 438.980 5.511 0 40 IKAB c1cncc(-c2nc(Oc3ccc(-c4nnco4)cc3)c3c4c(sc3n2)CCCC4)c1 3446427 AFVJVSLUFOZAOY-UHFFFAOYSA-N 427.489 5.474 0 40 IKAB CCCCSc1nc2c(c(=O)n1CCc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 3771732 ZHOWVWYPCUTICM-MHZLTWQESA-N 432.633 6.269 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]4(O)/C=C/c4ccccc4)[C@@H]3CC[C@@H]2C1 4264809 JBTRSWYBSZRTOK-NLSUTMMVSA-N 436.636 6.405 0 40 IKAB COc1ccc(CSc2nc(O)cc(CSc3ccc(Br)cc3)n2)cc1 4622176 XMZNDMVRDWBZKF-UHFFFAOYSA-N 449.395 5.538 0 40 IKAB CCC(CC)COC(=O)/C=C(/CC(=O)OCC(CC)CC)C(=O)OCC(CC)CC 5498137 TYCAEUFHSJDSES-BKUYFWCQSA-N 426.594 5.241 0 40 IKAB Cc1cc2cc(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)c(=O)[nH]c2cc1C 6320882 LTEOIQWMZAOQEK-LJQANCHMSA-N 445.588 5.376 0 40 IKAB COc1ccccc1[C@@H]1CC(c2ccc(Br)cc2)=NN1c1cccc(Cl)c1 8427265 IZJSEQAYUDYUPI-NRFANRHFSA-N 441.756 6.467 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccccc2F)n1 8825662 SAXJMJLHWDALNY-CQSZACIVSA-N 430.526 5.067 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccoc2C)c2ccccc2)cc1 8829172 BCKUUNFZPHVTFS-DEOSSOPVSA-N 432.520 5.044 0 40 IKAB O=C(COc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc(-c2ccccc2)cs1 8829351 QDWOCDCTDZOXKM-UHFFFAOYSA-N 434.948 6.076 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)cc4Cl)o3)cc2)CC1 8832657 LFEKQGPSJIKDQO-UHFFFAOYSA-N 444.362 5.648 0 40 IKAB O=C(Nc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(Cl)cc1Cl 8846321 MGRZAXXHLAQKAV-UHFFFAOYSA-N 443.374 6.401 0 40 IKAB CCCOc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 8920537 QBQGHHXGEGNZBQ-UHFFFAOYSA-N 444.531 6.668 0 40 IKAB Cc1nc2cc(Nc3nnc(-c4ccccc4)c4ccccc34)ccc2n1Cc1ccccc1 9057561 HAMWNLCQVOCHRY-UHFFFAOYSA-N 441.538 6.747 0 40 IKAB Cc1cc(C)cc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 9064840 FHDLGPPVRHLJPD-GQCTYLIASA-N 445.371 6.397 0 40 IKAB CCCCC[C@@H](C)NC(=O)CN1C(=O)c2ccccc2[C@H]1c1c(C)n(C)c2ccccc12 9096576 HJSPTTZFEPBIHM-DWXRJYCRSA-N 431.580 5.117 0 40 IKAB Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nnc1-c1ccc2c(c1)CCCC2 9193280 PGBBWDFCLMEVCO-UHFFFAOYSA-N 447.391 5.399 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1F 9245661 RWIBBCYVMKSSFP-UHFFFAOYSA-N 448.523 5.069 0 40 IKAB CC(C)N(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)c1ccccc1-c1ccccc1 9582101 DJNPXUALISDKPF-UHFFFAOYSA-N 431.923 6.108 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1ccccc1)Nc1ccc(F)c(Cl)c1 9599175 UENYGJQRSCZQAA-UHFFFAOYSA-N 429.948 5.713 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C)c(F)c2)nc2c(oc3ccccc32)c1=O 9749413 VURPOUJOOQVCDK-UHFFFAOYSA-N 439.512 5.121 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)COc4ccc(Cl)c(C)c4)c3)nc2c1 9892102 CQDVVSVXDNKIJJ-UHFFFAOYSA-N 434.923 6.399 0 40 IKAB Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 10010916 CLHFYZWDJRWWBF-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc(Cl)s1 10059178 OUNFAZUNNPFPQD-OAQYLSRUSA-N 432.328 5.062 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4cc(OC)c(OC)c(OC)c4)nc3c2)cc1 10120186 KPXWGUYFBBRQOH-UHFFFAOYSA-N 448.475 5.172 0 40 IKAB CCOc1cccc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5)cc4)n3)oc12 10749369 YMSHSCPHTOVMDU-UHFFFAOYSA-N 440.524 6.874 0 40 IKAB CC(C)(C)c1oc(C(=O)Nc2ccc3c4c(cccc24)CC3)cc1COCC(F)(F)F 12364998 DVFZUECBDLXCFE-UHFFFAOYSA-N 431.454 6.160 0 40 IKAB Cc1cc(C)c(-c2csc(NC(=O)CC(c3ccccc3)c3ccccc3)n2)c(C)c1 12745150 DKPFQOOIWAMYQM-UHFFFAOYSA-N 426.585 6.896 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2c2cccs2)c1Cl 12919357 LKBVLTOBSAIDQS-FQEVSTJZSA-N 437.417 6.011 0 40 IKAB Cc1cccc2sc(C(=O)N(C)CC(=O)Nc3c(Cl)cccc3Cl)c(Cl)c12 12931929 QDEIFQKHRYPNPI-UHFFFAOYSA-N 441.767 5.881 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F 13025670 HWKGMVBRWKTPNU-RUZDIDTESA-N 448.538 5.212 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(CC(=O)Nc1ccccc1Cl)CC2 13060638 MFGFXTCYMVFBKM-HSZRJFAPSA-N 442.968 5.005 0 40 IKAB Cc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc4ccccc4c3)C(=O)[C@H]2ON1c1ccccc1 13779182 UMZFKDLJITZBCJ-ZNZIZOMTSA-N 434.495 5.199 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(Cc4cccs4)n3C3CC3)cs2)cc1 14023061 RUBLEZYPZDLHFL-UHFFFAOYSA-N 440.619 5.690 0 40 IKAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@@H]1/C(C)=C/c1ccccc1 15412593 NQXHWDAJUJXYFG-YJRBMFNESA-N 440.543 5.164 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)cc1 15881136 IBUVYGPTOTWELW-UHFFFAOYSA-N 429.560 6.574 0 40 IKAB Cc1cc2nc(N(Cc3cccnc3)C(=O)CSc3ccc(F)cc3)sc2cc1C 15882542 ULGKZTNWWFVVLM-UHFFFAOYSA-N 437.565 5.773 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2nc(-c3ccc(Br)cc3)cs2)c1 16268976 JLEKYQJJXLIBLH-UHFFFAOYSA-N 446.395 5.316 0 40 IKAB CCc1ccc2oc(-c3cccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 17097851 UTFQEUVEDDWIET-UHFFFAOYSA-N 432.348 6.005 0 40 IKAB COc1ccc(/C=C/C[C@@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 17175606 XJCYHVVLLSSJHZ-SNQHBFAKSA-N 430.500 5.828 0 40 IKAB CCc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)c1 19632877 AXUQMRWGIBAEBU-DHZHZOJOSA-N 440.952 5.703 0 40 IKAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1cccc(NC(=O)c2ccc(C(C)(C)C)cc2)c1 19932543 OCMAAFKDBOJPCQ-DEOSSOPVSA-N 448.538 6.172 0 40 IKAB CCOc1ccc(CCC(=O)Nc2ccc(CSc3ccccc3)cc2)cc1OCC 19934250 UDXWHCUTCBCHNT-UHFFFAOYSA-N 435.589 6.348 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4ccc(C)cc4C)ccc3o2)cc1OC 20412036 OVTZBPHPXONMOE-UHFFFAOYSA-N 432.476 5.146 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCN(C/C=C/c2ccccc2)CC1 20484668 XPQKSNCVDONXPZ-QPJJXVBHSA-N 435.420 5.084 0 40 IKAB CCn1nnnc1NCc1c(OCc2ccc(Cl)cc2Cl)ccc2ccccc12 22111885 COBJVDHXZZDQCK-UHFFFAOYSA-N 428.323 5.344 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)N(C)C2CCCCC2)c2ccc(C(C)C)cc2)cc1 22430766 CZHWLSVHRSUFRW-UHFFFAOYSA-N 442.625 5.105 0 40 IKAB Cc1noc(CSc2ccc(C(=O)N(Cc3cccs3)Cc3cccs3)cc2)n1 24468952 TXSNWLCMDSNHEK-UHFFFAOYSA-N 441.603 5.636 0 40 IKAB COc1cc(-c2nnc(SCc3cccnc3)n2C2CCCCC2)cc(OC)c1OC 27765501 CJCSACRLXFLRMM-UHFFFAOYSA-N 440.569 5.163 0 40 IKAB Cc1c(C(=O)N(Cc2cccs2)c2ccccn2)oc2ccc(Br)cc12 27794569 FCLIGDSPPSZMNR-UHFFFAOYSA-N 427.323 5.807 0 40 IKAB Cc1ccc([C@H](CNC(=O)c2oc3ccc(Br)cc3c2C)N2CCCC2)cc1 27992212 FCIBUBCAIKLQEK-FQEVSTJZSA-N 441.369 5.379 0 40 IKAB CC(C)Oc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1 30850315 NNFMOURHOSRXHW-UHFFFAOYSA-N 426.409 5.763 0 40 IKAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)/C=C/c1ccc(Cl)cc1Cl 32126482 LNYHWIVHJHGLEN-SOFGYWHQSA-N 444.347 5.428 0 40 IKAB CCOc1cccc2c1O[C@@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@H]21 34138838 AHUSSJIDWJMZJW-XXBNENTESA-N 434.517 5.176 0 40 IKAB CCc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccc(C)cc2)cc1 35147358 LTHZLHSPUDHQIP-RUZDIDTESA-N 427.935 6.351 0 40 IKAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(SCc2cccnc2)cc1 40023335 IYXPUNHTCYDYAK-DEOSSOPVSA-N 429.545 5.277 0 40 IKAB Clc1ccc(NCc2nn3cc(-c4ccc(Cl)c(Cl)c4)c4c3n2CCCC4)cc1 40163769 JFPDWDABZZRMNT-UHFFFAOYSA-N 445.781 6.711 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1 46891409 YALJPFVRCGQXAJ-NWDGAFQWSA-N 425.278 5.149 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(N(C)C(=O)c3ccc(Cl)cc3)cc2)cc1C 48310189 RFHMXHPIFZBFLU-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1c1c(nc(-c3ccncc3)nc1Nc1cccc(F)c1)C2 57775139 NAFZHHPHLGCAKY-AZUAARDMSA-N 447.514 5.418 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1CCCN(C(=O)c2cc3c(s2)CCCCC3)CC1 65487731 TVCIENYPEGVMKX-UHFFFAOYSA-N 431.989 5.050 0 40 IKAB COc1ccc2c(c1)NC1(CCN(CCCC(=O)c3ccc(Cl)cc3)CC1)c1cccn1-2 72341665 XFYGODLDWPFJNZ-UHFFFAOYSA-N 449.982 5.519 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccnc2)c1 78718338 LAJXWCQLQBVGQQ-PMACEKPBSA-N 425.410 5.095 0 40 IKAB COc1cc(CN2CCC[C@@H](n3nccc3C(F)(F)F)C2)cc(Cl)c1OC(F)F 95995876 LQFBDWBMRAXMPJ-GFCCVEGCSA-N 439.812 5.002 0 40 IKAB O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1cccc2ccccc12 100834136 LOBPOXWJSRKMSE-DEOSSOPVSA-N 430.507 5.890 0 40 IKAB CC(C)c1ccc(C2=C[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 101071642 UAKROZGRBNIJIQ-DEOSSOPVSA-N 444.376 6.978 0 40 IKAB Cc1cc(O)c(C(C)C)cc1NC(=O)C12C[C@@H]3C[C@@H](C1)CC(n1cnc(Cl)n1)(C3)C2 102438885 IXAKFFYTWBXGOI-MTPGRUBUSA-N 428.964 5.003 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)ccc1OCc1cccc(Cl)c1 106960010 MEHBVCQSVGOGBV-UHFFFAOYSA-N 432.745 6.302 0 40 IKAB COc1ccc(OC[C@H](C)NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 216451255 QRFIQMLYEBWXCA-IBGZPJMESA-N 437.561 5.064 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)Cc1c(Cl)cccc1Cl 222411569 ZRGWTZNFOMAWSY-NRFANRHFSA-N 435.395 5.176 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222677731 PXZNAKGIVXEALR-GOSISDBHSA-N 447.044 5.214 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1nc2ccccc2s1 222909142 DYUQFSBZFIGBDJ-LEWJYISDSA-N 433.606 5.111 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1C(C)C 223349463 GURDBURKLOWALV-IBGZPJMESA-N 443.031 5.870 0 40 IKAB CCCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223550196 KRGVDVCOEJFBGK-HHHXNRCGSA-N 444.575 5.190 0 40 IKAB Cc1c(Cl)cnc(NC(=S)NCC2(c3cccc(Cl)c3)CCOCC2)c1Cl 224020854 ZUCLPIYMTMEAPF-UHFFFAOYSA-N 444.815 5.385 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cc(C)cc(C)c1C 224278253 SRMYWQXGOKXJDD-UHFFFAOYSA-N 427.903 6.244 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1cccc(Cl)c1 224489597 UCHPDXYLVQHWMN-UHFFFAOYSA-N 449.856 6.589 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)(C)C)cc1 224631633 LMKJOIDLPRKHEJ-IBGZPJMESA-N 443.031 5.512 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C)cc1 225086929 BZQOHRQRNVZTQN-AREMUKBSSA-N 434.624 5.492 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCS/C1=C/c1csc(Nc2ccc(F)cc2)n1 225253167 XFGJJGOGNJWHEU-WOJGMQOQSA-N 431.945 5.867 0 40 IKAB C[C@H](NC(=S)Nc1nc(Oc2ccccc2)cc(Oc2ccccc2)n1)c1ccccc1 225962108 YOAFXWMAYGCWQD-SFHVURJKSA-N 442.544 6.109 0 40 IKAB O=C1[C@H]2[C@H](C[C@H](c3ccc(Cl)cc3)N2Cc2ccccc2Cl)CN1c1ccccc1 257218898 DEUNMEYATZXKQP-CTUHWIOQSA-N 437.370 5.972 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(C(=O)CC2CCCCC2)CC1 257283261 OXMDWQIQSNBMHV-UHFFFAOYSA-N 447.623 5.006 0 40 IKAB CC(C)c1nc(CCc2cc(Cl)cc(Cl)c2)c(C(=O)O)cc1-c1ccccc1F 257313957 UUVHTDHBZDRIOI-UHFFFAOYSA-N 432.322 6.801 0 40 IKAB CCOc1cc(C(=S)NCCc2ccc(OC)cc2)ccc1OCc1ccc(F)cc1 408575495 OOCIGLYFFDLQEG-UHFFFAOYSA-N 439.552 5.320 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(C)cc3)n2)cc1 408696221 XWMWDUQZEUPQQR-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cc(Cl)ccc3C)nn2-c2ccc(C)cc2C)cc1 408699212 SFWVDYAJCGWLPX-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CSc1ccccc1NC(=O)c1ccc([C@@H]2SCC(=O)N2CCc2ccccc2)cc1 409313410 BPBQHDASNFOVSV-VWLOTQADSA-N 448.613 5.478 0 40 IKAB CC(=O)c1cccc(NC(=O)/C(=C/c2cccc3ccccc23)NC(=O)c2ccccc2)c1 727495 DRCNGBLAKSFVEV-ITYLOYPMSA-N 434.495 5.452 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Br)cc2)c2cccs2)cc1 868805 QYLLRSKJBDFVEQ-HXUWFJFHSA-N 449.391 5.607 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccccc2)cc1 877959 PTXPCHOCKZXYJH-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)cc2c1 916784 IGGVYDLTJAWCCL-SFHVURJKSA-N 445.588 5.321 0 40 IKAB Cc1ccccc1NC(=O)[C@H](C)n1cnc2scc(-c3ccc4ccccc4c3)c2c1=O 937710 DWTJGFMUYLVJEW-KRWDZBQOSA-N 439.540 5.786 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@@H](c1ccco1)N2 999453 WHLYQWVLMOSFKL-SWLSCSKDSA-N 428.773 5.181 0 40 IKAB Cc1cc2nc(-c3ccc(SCC(=O)Nc4ccc5c(c4)CCC5)nc3)[nH]c2cc1C 1329723 WHUMFSQLZOMXHZ-UHFFFAOYSA-N 428.561 5.461 0 40 IKAB CCCC(=O)N1CCc2cc(-c3nc(NC(=O)c4cccc(Cl)c4)sc3C)ccc21 1365727 KKKOJTXNTIITOG-UHFFFAOYSA-N 439.968 5.713 0 40 IKAB COC(=O)c1c(NC(=O)/C(Br)=C/c2ccccc2)sc2c1CC[C@H](C)C2 1809135 WZSUVVOZZQQOSY-CMHHUMAZSA-N 434.355 5.034 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2)csc1NC(=O)c1ccc(Cl)cc1Cl 2105427 HXSWSOFBIHIFFJ-UHFFFAOYSA-N 434.344 6.539 0 40 IKAB O=C(NC(=S)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1cccc2ccccc12 2145428 LOTNQYDBVRZLBF-UHFFFAOYSA-N 442.384 6.004 0 40 IKAB COc1cc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc(OC)c1 2150579 VRXZPIRZVGYBGZ-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic O=S(=O)(Nc1nc2ccccc2nc1Nc1cccc(Cl)c1)c1ccc(Cl)cc1 2280357 RVTOCMQDMLAUGN-UHFFFAOYSA-N 445.331 5.481 0 40 IKAB COc1ccc(Cc2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)cc1OC 2380706 UWVGIGLDQRUSDR-HNNXBMFYSA-N 436.581 5.098 0 40 IKAB COc1cc2c(cc1NS(=O)(=O)c1c(F)cc(F)c(Cl)c1F)oc1ccccc12 2649013 QEBRSQBEFAXYOT-UHFFFAOYSA-N 441.814 5.466 0 40 IKAB O=C(Nc1cccc(Oc2ccccc2)c1)C(=O)c1c(-c2ccccc2)cc2ccccn12 3236059 NHAJZUSLRDJZMA-UHFFFAOYSA-N 432.479 6.220 0 40 IKAB O=C(Nc1nc(-c2ccc(-c3ccccc3)cc2)cs1)C1(c2ccc(F)cc2)CCCC1 3242437 UMWPCCRMCSCCQU-UHFFFAOYSA-N 442.559 7.067 0 40 IKAB Cc1cc(C)c(C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2F)cc1C 3328279 XFHYRLDJNQZYSB-UHFFFAOYSA-N 449.526 6.113 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@@H]3CC[C@@]21C)C(C)C 4074062 BYLDLYWTMFKRNR-UKBAOTMZSA-N 430.717 6.997 0 40 IKAB biogenic CC(C)C1=CC2=CC[C@H]3[C@@](C)(CCC[C@@]3(C)C(=O)N3C(=O)c4ccccc4C3=O)[C@@H]2CC1 4726886 ZZSCRJSMECRJMK-NAETUBRWSA-N 431.576 5.944 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(-c3ccccc3NC(=O)c3ccccc3)o2)cc1 6075443 ZWEBXSFCUCGYRH-UHFFFAOYSA-N 443.572 6.579 0 40 IKAB aggregator CCCCCOc1ccc(/C=C/C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1 6389336 ZAATVYVTHQYGKF-UKTHLTGXSA-N 426.988 5.579 0 40 IKAB Brc1ccc([C@H]2Nc3ccccc3C(c3ccccc3)(c3ccccc3)O2)cc1 8442310 MPMCCKCTRJXIDK-VWLOTQADSA-N 442.356 6.882 0 40 IKAB Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(F)cc3)c(=O)c3sc4ccccc4c32)c1 8604009 RMCLHKPTRGPHLO-UHFFFAOYSA-N 430.504 5.171 0 40 IKAB COc1cc(C)ccc1OCCSc1nc2ccc(NC(=O)c3ccco3)cc2s1 8673735 GTXHWKQNAZMCJO-UHFFFAOYSA-N 440.546 5.630 0 40 IKAB c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5ccncc5)nc4c32)cc1 8756645 RDHLDTFYNAMSDX-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB COc1ccc(C(=O)Nc2sc3ccccc3c(=O)c2-c2cccc3ccccc23)cc1 9216069 ADKBBHDNYKMVCH-UHFFFAOYSA-N 437.520 6.343 0 40 IKAB Clc1ccc(Cl)c(SCCSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 9254969 NGKCGFYKCMSQLR-UHFFFAOYSA-N 427.334 5.657 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3cccc(F)c3)nnc2-c2ccc(C)cc2)cc1 9307075 JRBIZXWGWOTYJS-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CC(C)CCC[C@@H](C)NC(=O)c1c(N)n(-c2cccc(F)c2)c2nc3ccccc3nc12 9307233 PDJWMCGNNZZAIY-MRXNPFEDSA-N 433.531 5.240 0 40 IKAB COc1cccc(-c2cc(OC(=O)COc3ccc(Cl)cc3)cc3sc(=O)oc23)c1 9430768 DUTCWPGMZGAJOR-UHFFFAOYSA-N 442.876 5.168 0 40 IKAB C[C@H](Sc1nnc(-c2ccc(F)cc2)o1)C(=O)Nc1ccc(OCc2ccccc2)cc1 9464326 ABLQXYWQPGYHON-INIZCTEOSA-N 449.507 5.574 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccccc1Cl 9518468 YKDZBFFFKZHYNR-UHFFFAOYSA-N 434.835 5.320 0 40 IKAB Cc1cccc(NC(=O)COC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)c1C 9525786 UHKUUAGSMBLLGR-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCCC3)cs1)c1cccc(CN2CCCC2=O)c1 9638173 GUKWOIFXOCPKHU-UHFFFAOYSA-N 431.561 5.064 0 40 IKAB COc1ccc(-n2nc(-c3ccc(F)cc3)c3cnc4cc(OC)c(OC)cc4c32)cc1 9675991 HZDPQULVDJRQOL-UHFFFAOYSA-N 429.451 5.406 0 40 IKAB C[C@@H](NC(=O)CSc1nc(-c2cccs2)nc2ccccc12)c1ccc2c(c1)OCO2 9797601 UFTYKDNCDFLAFY-CQSZACIVSA-N 449.557 5.057 0 40 IKAB COc1cc(C(=O)N(Cc2ccccc2)c2nc3ccccc3s2)cc(OC)c1OC 10187481 ZDUDMBLPIVIJDQ-UHFFFAOYSA-N 434.517 5.169 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cc1 11264143 YHYINTPNDDIVFC-UHFFFAOYSA-N 445.592 5.194 0 40 IKAB CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1-c1ccc(OC)c(OC)c1 11467372 ZCQDKCDVEBDISH-UHFFFAOYSA-N 443.503 5.208 0 40 IKAB Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(Cl)cc4Cl)c3)csc2n1 11768228 KIGARUPFWFYJOM-UHFFFAOYSA-N 430.316 5.291 0 40 IKAB C[C@H]1CN(c2cc(CSCc3ccc(Cl)cc3)nc(-c3ccccc3)n2)C[C@@H](C)O1 12338572 PSPHUECQDMWRKR-HDICACEKSA-N 440.012 5.844 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)n1Cc1ccccc1 12494113 BWTQOKZKUKPRHQ-UHFFFAOYSA-N 444.560 5.041 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)C(C)(C)C)n2[C@@H](C)c2ccccc2)cc1 12598764 LOHUTKSMHQHTMV-SFHVURJKSA-N 437.609 5.736 0 40 IKAB COc1ccc([C@@H](NC(=O)CSc2ccc(C(F)(F)F)cn2)c2ccccc2)cc1 12608751 NEADTRSVXMBJQM-NRFANRHFSA-N 432.467 5.107 0 40 IKAB C[C@H](NC(=O)C(=Cc1ccccc1Cl)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 12625659 TZFNHMWQUAKROJ-KDURUIRLSA-N 432.951 5.478 0 40 IKAB Cc1sc2nc(C3CC3)nc(SCC(=O)Nc3ccccc3C(F)(F)F)c2c1C 12639850 VVJADPHZOOPWTI-UHFFFAOYSA-N 437.512 5.935 0 40 IKAB C[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)c1ccc(-c2ccccc2)cc1 12825332 WMSHMDZHNVLIAP-LJQANCHMSA-N 446.978 5.737 0 40 IKAB O=C(CSc1nnc(Cc2cccs2)n1C1CC1)Nc1ccc(-c2ccccc2)cc1 13113389 BQLJHKKNOYXEIV-UHFFFAOYSA-N 446.601 5.663 0 40 IKAB COc1ccccc1NC(=O)CN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)cc1 13117136 LCTMSVCREZYLSG-UHFFFAOYSA-N 440.499 5.236 0 40 IKAB COc1ccc([C@@H]2CCCCCN2CC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 13127680 XIBHUKMMNDQESO-DEOSSOPVSA-N 432.568 5.054 0 40 IKAB Cc1c(C(=O)NN2CCCCC2)nn(-c2ccccc2Cl)c1-c1ccc(Cl)cc1 13679568 XQFWOCBFCCQKMR-UHFFFAOYSA-N 429.351 5.285 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)ccc2OC)nnc1-c1ccccc1Cl 14068104 KSCUCGFUQZPCJK-UHFFFAOYSA-N 437.352 5.011 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F 14086063 XUEYPGQDCLJGPX-UHFFFAOYSA-N 444.240 5.007 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)c4ccccc4OC)cc3n2)c(C)c1 14272793 DSBQELPHHRRZOX-UHFFFAOYSA-N 443.551 5.144 0 40 IKAB CC(=O)Nc1sc(C)c(C)c1C(=O)O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 14358773 VQFLAGQJRQBFRA-HSZRJFAPSA-N 446.528 5.586 0 40 IKAB O=C(CSc1ccc(F)cc1)Nc1nnc(SCc2ccc(Cl)cc2)s1 15544132 DVUDWVMCIINRDD-UHFFFAOYSA-N 425.963 5.354 0 40 IKAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 15647074 BBLVHFLMOYPYTI-LJQANCHMSA-N 428.479 5.739 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3c(C)cc(C)cc3s2)c1OC 15881822 HDCQOVQUNXCMHM-UHFFFAOYSA-N 433.533 5.172 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccc(C(C)(C)C)cc2)NC(=O)N1 15911432 BEHJFAPVQMRPCB-LJQANCHMSA-N 431.458 5.270 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2c(C)cc(C)cc2C)NC(=S)N1 15913188 GONKGRMZKHBRDG-LJQANCHMSA-N 433.499 5.062 0 40 IKAB COC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(C)c(Cl)c1 16758035 XZRSHTYDGYAYJM-HNNXBMFYSA-N 437.952 5.703 0 40 IKAB O=C(Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1)c1cc2ccccc2o1 17103098 JUVHYDANEFVSAX-UHFFFAOYSA-N 439.323 7.269 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@@H](C)C[C@@H](C)C3)n2)cc1 17244254 VCWBSSYKXCDGFV-CALCHBBNSA-N 445.654 5.110 0 40 IKAB Clc1ccc(CN2CCC[C@@H]2c2nnc(-c3nccc4ccccc34)o2)cc1Cl 19376470 JBSQNXKAWPHCRY-LJQANCHMSA-N 425.319 5.929 0 40 IKAB COc1ccc(-c2cc(-c3ccc(OC)c(OC)c3)n(Cc3ccccc3F)n2)cc1OC 19647176 WMUHTPJDOQQREW-UHFFFAOYSA-N 448.494 5.439 0 40 IKAB CC(C)c1ccc(OCc2cc([C@H]3CCN(C(=O)c4cc5ccc(F)cc5[nH]4)C3)n[nH]2)cc1 19704644 COLKMBOSOLDSKW-IBGZPJMESA-N 446.526 5.362 0 40 IKAB Cc1cc(C)cc(N(CC(=O)Nc2cccc3ccccc23)S(=O)(=O)c2ccccc2)c1 19947393 FSLZFNVLHYJPRF-UHFFFAOYSA-N 444.556 5.291 0 40 IKAB COc1cc(NC(=O)c2cccc(OCc3ccccc3)c2)ccc1-c1ccc(CO)o1 20144982 LKIKLSYTTFNWBG-UHFFFAOYSA-N 429.472 5.279 0 40 IKAB CCCCCOc1ccccc1C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20347267 MONQEJSEXVZTOD-UHFFFAOYSA-N 442.603 5.803 0 40 IKAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCN(C/C=C/c2ccccc2)CC1 22772572 KFAVMPTWYGEZDS-YYVWFHOOSA-N 425.576 5.012 0 40 IKAB COCCCn1c(SCc2cc(-c3ccco3)on2)nnc1-c1ccccc1Cl 25745702 NOMNLIGKDAQJGQ-UHFFFAOYSA-N 430.917 5.175 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2cccc(Cl)c2)c1C 26770904 UUGPYEIUDUAKPM-XMMPIXPASA-N 447.003 7.472 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(-c2ccc(Cl)cc2)o1 32119068 JYHPWTWTDIRTJT-UHFFFAOYSA-N 441.723 5.739 0 40 IKAB Cc1ccc(N2c3ccc(C=C(c4ccccc4)c4ccccc4)cc3[C@@H]3CCC[C@H]32)cc1 36377923 QZEOZXJABDDEGH-QCENPCRXSA-N 427.591 8.372 0 40 IKAB in-vitro O=C(Nc1ccc(CSc2ccccc2)cc1)C1CCN(Cc2ccccc2F)CC1 39766961 CORGEAZUOFIJTF-UHFFFAOYSA-N 434.580 5.969 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C(=O)NCc3ccc(Cl)cc3)c2)cc1 44901015 BBLLVJDOSUPZHV-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB Cc1ccc(Cn2c(SCc3cccc(C)c3)nc3c(sc4ncccc43)c2=O)cc1 45924307 APIBORTZYLYDDK-UHFFFAOYSA-N 443.597 5.964 0 40 IKAB Cc1csc(Sc2ccc(NC(=O)NC[C@H](c3cccs3)N(C)C)c(C)c2)n1 65495302 FGDCCAJRQSCIBR-QGZVFWFLSA-N 432.640 5.397 0 40 IKAB COc1cccc(-c2c[nH]c([C@H]3CCCN3CC(=O)Nc3cccc(Cl)c3Cl)n2)c1 79058830 MENMMSYSDDPWDS-LJQANCHMSA-N 445.350 5.168 0 40 IKAB CC(C)(C)c1nnc(SCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)o1 84325378 PSJZHMAZFUTMJQ-UHFFFAOYSA-N 429.156 5.712 0 40 IKAB COc1cccc(C(=O)c2coc3ccc(OCc4ccc(Cl)c(Cl)c4)cc23)c1 96184264 KXPWXUCUGQGDPV-UHFFFAOYSA-N 427.283 6.558 0 40 IKAB COc1ccc([C@@H]2Nc3cc(C)c(C)cc3N=C3CC(C)(C)CC(O)=C32)c(OC)c1OC 102536410 YCRKYTQXBNKZAK-QHCPKHFHSA-N 436.552 6.201 0 40 IKAB O=C1/C(=C/Nc2ccc(F)cc2)c2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 102957549 QWKKUJPFOMDKAR-DEDYPNTBSA-N 426.369 5.485 0 40 IKAB CCCOc1ccc(N2C[C@@H](C(=O)Nc3cc(C(F)(F)F)ccc3Cl)CC2=O)cc1 103717693 VYGDHRBBMITYPW-ZDUSSCGKSA-N 440.849 5.139 0 40 IKAB Clc1cccc([C@H](c2ccccc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1 104339822 WCSYSQZEDFGLRT-HKBQPEDESA-N 445.005 8.507 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCc1ccccc1 107642643 HUQUSOFZROCNKH-UHFFFAOYSA-N 436.722 6.487 0 40 IKAB O=C(COc1ccc(Br)cc1Cl)NCCSCc1cccc(Cl)c1 218943034 ZMKPYKABZIQKRI-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CC(C)C)o2)cc1Cl 222941325 NOGJINAOFWGBQI-FCHUYYIVSA-N 425.985 5.932 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223177997 MPGCRCBFJBOURN-FQEVSTJZSA-N 435.395 5.258 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223910556 NDUAWNBYTCVVLG-JWQCQUIFSA-N 440.572 5.585 0 40 IKAB Cc1cc(C(=O)N[C@@H](c2ccccc2C)C(C)C)ccc1NS(=O)(=O)c1ccccc1 224000347 QKTGXOKMTHRBRV-XMMPIXPASA-N 436.577 5.231 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(C)n2-c2cccnc2)c1 224295398 WHFACYPAKDJCNT-JWQCQUIFSA-N 439.588 5.370 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 224379738 ZZIOYFOKSMDXHD-CLJLJLNGSA-N 439.584 6.642 0 40 IKAB COc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)c1 224539225 GPUDICADHMQNPW-RPWUZVMVSA-N 432.593 5.574 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSCc1ccccc1 225198011 RQAYHWXNSCHWGO-RTBURBONSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 225726273 GOKAFHFYFZRIFS-VGOFRKELSA-N 449.422 5.648 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1cc(Cl)cc(Cl)c1 225831795 ZMYHQQWGPMRICS-UHFFFAOYSA-N 438.314 6.282 0 40 IKAB COC1(COc2ccc(Cl)c(Cl)c2)CCN(Cc2ccc(NC(C)=O)cc2)CC1 257208442 BMECVLLIRYLUQX-UHFFFAOYSA-N 437.367 5.012 0 40 IKAB Fc1ccc(O[C@H]2COC3(CCN(Cc4ccccc4OCc4cccnc4)CC3)C2)cc1 257252662 JVQGKXNOMYKKGM-RUZDIDTESA-N 448.538 5.002 0 40 IKAB Cc1nnc(S/C(=C\c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)o1 408632079 LQDNTCYNVKCHLF-JAIQZWGSSA-N 439.924 5.561 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OCC)c2)C1=O 409054513 AYHRFKQLNWAUNF-STZFKDTASA-N 429.513 5.640 0 40 IKAB COc1ccc(C(=O)CCC(=O)Nc2nc(-c3ccc(Cl)c(Cl)c3)c(C)s2)cc1 409207645 ZHXBDMZSNKFKMT-UHFFFAOYSA-N 449.359 6.036 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1Br 409244486 DHWNSFKLEGIZHI-UZUMKDMXSA-N 443.341 5.028 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 409363466 TYRBYYBUQQLEGJ-UHFFFAOYSA-N 447.029 5.250 0 40 IKAB Cc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cc(C)ccc3C)c2)c1 409382249 QKAIJEIUYOQPTM-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1nc2ccccc2n1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1Oc1ccccn1 2332242827 SYXKQYZBWHURHK-HSWFVFMJSA-N 444.623 5.651 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)C(F)(F)F)c1ccc(Cl)cc1 800215 XCMCWOHXWMTMON-MRXNPFEDSA-N 430.879 5.097 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccccc3Cl)cc2c(=O)n1Cc1cccc(Cl)c1 930701 VAYLGOXEZYLPKO-UHFFFAOYSA-N 438.314 5.312 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=O)Nc3cccc(Cl)c3)cc2c1 1327217 BJESQUHLOIEVOQ-UHFFFAOYSA-N 446.938 5.373 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1OC(=O)c1ccccc1C 1463832 HCSLAESLOFGLGF-UHFFFAOYSA-N 442.467 5.321 0 40 IKAB biogenic CCOC(=O)c1oc2cc(OCc3ccc(F)cc3)ccc2c(=O)c1-c1ccc(OC)cc1 1463868 RVRUJBZKFOBRHW-UHFFFAOYSA-N 448.446 5.363 0 40 IKAB biogenic CCOC(=O)c1c(NC(=O)CCCOc2cccc(C)c2)sc(C)c1-c1ccccc1 1903839 JQEIBAZFRPNLCM-UHFFFAOYSA-N 437.561 6.006 0 40 IKAB Cc1ccc(NC(=O)CCn2nc(-c3ccc(Cl)cc3)c3ccccc3c2=O)c(C)c1 2260926 NDBUIOLPIJOFHY-UHFFFAOYSA-N 431.923 5.363 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2ccc([C@H](C)CC)cc2)c2nc3ccccc3nc12 2374949 HDHHGMYOPCSRJB-DLBZAZTESA-N 430.552 5.872 0 40 IKAB CC1=C(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H](c2ccco2)n2c(nc3ccccc32)N1 2438869 ARCRHHXTPANIHE-HXUWFJFHSA-N 438.409 5.576 0 40 IKAB CCCC1CCC(c2ccc(-c3nnc(-c4ccccc4Br)s3)cc2)CC1 3012079 RDERTAZVIRVDOU-UHFFFAOYSA-N 441.438 7.709 0 40 IKAB Cc1ccc(Cl)c(NC(=O)NC2(C(F)(F)F)Oc3cc(Cl)c(Cl)cc3O2)c1 3180108 NGADGFMHVAHYHS-UHFFFAOYSA-N 441.620 5.764 0 40 IKAB Cc1cccc(Nc2ccccc2C(=O)O[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)c1C 3358336 BMPUKKJQDVOWNM-GOSISDBHSA-N 446.503 5.002 0 40 IKAB O=C(OCc1nnc(-c2cccs2)o1)c1cn(-c2ccccc2)nc1-c1ccccc1 3535895 YCFBUGWBMMOSNB-UHFFFAOYSA-N 428.473 5.008 0 40 IKAB O=C(Nc1cccc2c1c(S(=O)(=O)O)cc1oc(-c3ccccc3)nc12)c1ccccc1 3844714 CTCCKPRUUGIFNV-UHFFFAOYSA-N 444.468 5.147 0 40 IKAB biogenic CCCCCOc1ccc(NC(=O)CC(=O)Nc2ccc(OCCCCC)cc2)cc1 4380897 ONJKJWBIFSYJMP-UHFFFAOYSA-N 426.557 5.792 0 40 IKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@H]2C3=CC[C@H](C(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@]12C 5977206 ZSRBLQKLRBWBML-PCPZISFZSA-N 430.629 6.425 0 40 IKAB CCOc1ccc([C@]23Oc4ccccc4[C@@H](c4ccc(F)cc4)[C@H]2C3(Cl)Cl)cc1 6601770 JQJMUQPBYFANTJ-ZLNRFVROSA-N 429.318 6.448 0 40 IKAB CC(C)OCCCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc(C(C)C)cc1 8023358 QTYFIGCUPBHXPX-NRFANRHFSA-N 427.566 5.265 0 40 IKAB O=C(COC(=O)c1ccccc1NC(=O)c1ccco1)c1ccc(-c2ccccc2)cc1 8383408 KAOCCQAQVKUXKE-UHFFFAOYSA-N 425.440 5.239 0 40 IKAB c1csc(C2=NN(c3nc(-c4ccc5ccccc5c4)cs3)[C@H](c3ccoc3)C2)c1 8443510 XSNWULPHIZDYFM-QFIPXVFZSA-N 427.554 6.974 0 40 IKAB COc1ccc(CCn2c(-c3ccccc3)cs/c2=N\c2ccccc2C)cc1OC 8694497 VIIBIXGOUFAKFB-RQZHXJHFSA-N 430.573 6.017 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2ccccc2c1 8922433 GUALZOYUSUYMMQ-LJAQVGFWSA-N 435.523 5.280 0 40 IKAB O=C(Nc1nc2nc(-c3ccccc3)cc(-c3ccccc3)n2n1)c1ccc(Cl)cc1 8970695 OCMCPESSQLMTBW-UHFFFAOYSA-N 425.879 5.364 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1 9045180 DXUDXOSBBKSSCI-BDYUSTAISA-N 430.523 6.637 0 40 IKAB COc1cc(-c2nnc(SCc3csc(-c4ccccc4)n3)o2)cc(OC)c1OC 9284672 HFUVZYPFSXIISX-UHFFFAOYSA-N 441.534 5.178 0 40 IKAB Cc1cc(SCC(=O)Nc2cccc(C(F)(F)F)c2)n2ncc(-c3ccccc3)c2n1 9292221 RNQZLBYDOGDZGH-UHFFFAOYSA-N 442.466 5.454 0 40 IKAB c1ccc(Cc2nc(Sc3nc4ccccc4[nH]3)c3c4c(sc3n2)CCCC4)cc1 9380232 QYKPGWWYMFJOSY-UHFFFAOYSA-N 428.586 6.188 0 40 IKAB C[C@H](Sc1nnc(COc2ccccc2Cl)n1C1CC1)C(=O)c1ccc(Cl)cc1 9729293 RJCKPBWZXBCHON-ZDUSSCGKSA-N 448.375 5.862 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2ncsc2c1)c1nc2c(F)cccc2s1 10066791 CDVPBNDZQITDMC-UHFFFAOYSA-N 428.558 5.034 0 40 IKAB CCc1ccc(NC(=O)CS[C@@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 12529477 RWFJYIZDPRQDKW-HNNXBMFYSA-N 449.601 5.647 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 12600860 ZXXATUVQVXOJBR-AVMYOTTBSA-N 429.470 5.797 0 40 IKAB Cc1cccc(-n2c(SCc3cn4ccccc4n3)nnc2-c2ccc(Cl)cc2)c1 12659300 WZVITROLURQYTP-UHFFFAOYSA-N 431.952 5.836 0 40 IKAB CCOc1ccc2oc(C(=O)Nc3nc4c(s3)CN(Cc3ccccc3)CC4)c(C)c2c1 12688203 DPAFUFNXKDBCNT-UHFFFAOYSA-N 447.560 5.407 0 40 IKAB Cc1ccc(CN2C(=O)C(C)(C)Oc3ccc(C(=O)Nc4ccc5c(c4)CCC5)cc32)cc1 12876109 BHKCUEFQFJUQDW-UHFFFAOYSA-N 440.543 5.440 0 40 IKAB CCCCc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)NC3CCC(C)CC3)c2)cc1 13039383 MMUOZGGTVUAWGV-UHFFFAOYSA-N 442.625 5.447 0 40 IKAB COc1ccc2c(COC(=O)COc3cc(C)c(Cl)cc3C(C)C)cc(=O)oc2c1 13075083 JSLQBLDDJIVRDI-UHFFFAOYSA-N 430.884 5.009 0 40 IKAB COc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)c1 13557365 GCJUESISNSXODX-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCCC(C)C)cc2)n2c(nc3ccccc32)N1 13634692 WQAQCZGKPWKIBR-VWLOTQADSA-N 447.579 6.093 0 40 IKAB CCOc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)c1 13673498 HUJULHUWVPPDNI-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)c3ccc(NC(=O)C(C)(C)C)cc3)c(Cl)cc12 14021653 WXOWXSINRYPRQF-UHFFFAOYSA-N 427.884 5.001 0 40 IKAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2ccc(F)cc2F)c1 14796152 DROORKMWENRXAZ-UHFFFAOYSA-N 435.430 5.087 0 40 IKAB CC(C)c1ccc(Cc2cnc(NC(=O)C3=Cc4cc(Cl)ccc4OC=C3)s2)cc1 15838558 BYZRDEOYCHCZQP-UHFFFAOYSA-N 436.964 6.439 0 40 IKAB CCOc1cc(CN(Cc2nc(-c3ccc(F)cc3)no2)C2CC2)ccc1OC(F)F 16419335 OADFWBGTRYFPLD-UHFFFAOYSA-N 433.430 5.040 0 40 IKAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(c4cccc(C)c4)C3)nc3ccccc32)cc1 16902542 NMDVGPXOXYWAQB-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(OCc4ccccc4)cc2)N3)C1 17085920 YYVVLIYYXWRGTF-DVECYGJZSA-N 446.616 6.332 0 40 IKAB CC(C)(C)CC(=O)N[C@@H](C[C@@H]1CCCCN1Cc1cccc2ncccc12)c1ccccn1 19082765 ZBVJBBPYESHMOH-NVQXNPDNSA-N 444.623 5.668 0 40 IKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)CSc1ccccc1 20611397 LYBSUZARXZRGNU-UHFFFAOYSA-N 425.897 5.283 0 40 IKAB COc1c(Cl)cc(-c2nc3ncccc3o2)cc1NC(=O)c1ccc2ccccc2c1 20611399 RVJQQMSUIKCOBB-UHFFFAOYSA-N 429.863 5.957 0 40 IKAB CCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868174 LOXAGULBWVHIBT-VWLOTQADSA-N 443.503 5.136 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)cc1 22800184 LQCZNTDHMRIVKL-JOCHJYFZSA-N 438.575 5.513 0 40 IKAB CCOc1cc([C@H]2NC[C@H](c3ccccc3)c3c2[nH]c2ccccc32)ccc1OCC(C)C 25719475 OTJQJEUYFTUZQO-QDPGVEIFSA-N 440.587 6.426 0 40 IKAB Cc1ccc(C(=O)N(C)c2ccc(OC(=O)c3ccc(Br)s3)cc2)cc1 25920615 OSFWRGCNYVLIAZ-UHFFFAOYSA-N 430.323 5.315 0 40 IKAB COc1ccc(CN(C(=O)COc2ccc(C(C)(C)C)cc2)c2ccccn2)cc1OC 27663791 SQNXKTCLJRRGCK-UHFFFAOYSA-N 434.536 5.009 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2cccc(C)c2C)c2c[nH]c3ccccc23)cc1 27746242 QSFXLHQKBSSLKZ-HSZRJFAPSA-N 428.532 5.120 0 40 IKAB CCCN(c1ccc2sc(C(=O)N[C@H](C)CC)cc2c1)S(=O)(=O)c1ccc(C)cc1 28209224 XMZAXRFSRINMTN-QGZVFWFLSA-N 444.622 5.343 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCCc4ccccc43)cc2)cc1OC 30758409 PPNYKFVZKIPFHM-IBGZPJMESA-N 430.548 5.148 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)n1C1CC1)Nc1cc(Cl)ccc1Cl 32604144 HHRULVYUIQGLOB-UHFFFAOYSA-N 437.327 5.457 0 40 IKAB O=c1/c(=C/c2ccc(OCc3ccc4ccccc4c3)cc2)sc2nc3ccccc3n12 33921286 UYTHZNOJKFMMRH-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c1 34930263 NCRXPBSNHDMGLZ-UHFFFAOYSA-N 445.588 5.460 0 40 IKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@@H]1CC[C@@H]2C3=CC[C@H](C(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371938 ZSRBLQKLRBWBML-LQJXAMQGSA-N 430.629 6.425 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N([C@@H](N3CCCCC3)C(Cl)(Cl)Cl)C2=O)cc1 51364642 BAKFGHKRERNNBA-SYCZXOQXSA-N 433.788 5.214 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)c1cn(CC)c2ccccc12 57291698 QAUIUTYBIDLLGC-UHFFFAOYSA-N 448.592 5.443 0 40 IKAB CCN(C(=O)CSCc1csc(-c2ccc(OC)c(OC)c2)n1)C1CCCCC1 58201622 LDPIGDUGTQXILR-UHFFFAOYSA-N 434.627 5.242 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1)c1ccc(-c2ccccc2)cc1 58951819 JZJKMZKMVIRFQA-UHFFFAOYSA-N 446.503 5.546 0 40 IKAB Cc1cc(N2CCSCC2)ccc1NC(=O)c1sc(-c2ccccc2Cl)nc1C 65033030 YYFOVEPLGPVAKE-UHFFFAOYSA-N 444.025 5.886 0 40 IKAB COc1cc2c(cc1NC(=O)c1c(Cl)nc3ccccc3c1Cl)oc1ccccc12 83925483 KLYJZSOKTDYMQL-UHFFFAOYSA-N 437.282 6.702 0 40 IKAB FC(F)(F)c1cnc(N2CCN(Cc3cc4ccccc4nc3Cl)CC2)c(Cl)c1 96845431 ACOUBQFDYVUTRD-UHFFFAOYSA-N 441.284 5.278 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1cccnc1 102676496 ZCJKFYHNWQJUCU-IEYGMTSJSA-N 430.529 5.220 0 40 IKAB O=C(Nc1ccccc1)C(=O)[C@H](C(=O)c1ccccc1)C(c1ccccc1)c1ccccc1 102984240 MLJOJVCXWMNGEA-SANMLTNESA-N 433.507 5.525 0 40 IKAB C[C@@H]1CC[C@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@@H]2[C@@H]1C 104131440 ULWYRERWMYGJNF-KURLPASKSA-N 426.729 7.859 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)ccc1OCc1ccc(C)cc1 106973954 PRJSGSHDNFGJSX-UHFFFAOYSA-N 426.354 6.347 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCCSc2ccccc2)cc1 216349019 HFWNRAPIYGMPLT-UHFFFAOYSA-N 439.580 6.377 0 40 IKAB OCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2cccc(Cl)c2Cl)o1 223631806 TWXQHGIURFKLMP-PMACEKPBSA-N 448.375 5.003 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1 223656681 HAOGGJSMBMGUJB-FQEVSTJZSA-N 429.004 5.045 0 40 IKAB CCCCc1ccc(NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3F)c2)cc1 223961225 UOFHMSGDBOPEOL-UHFFFAOYSA-N 426.513 5.221 0 40 IKAB CCN(Cc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1)S(=O)(=O)c1ccccc1 224443850 HKCAJRRFUUVNBG-UHFFFAOYSA-N 436.577 5.273 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccccc1C(C)(C)C 224509191 HRIJGHRJGMVRNS-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 224728213 LHOGSNZFRXLACE-QHCPKHFHSA-N 429.004 5.079 0 40 IKAB Cc1ccccc1NC(=O)c1ccccc1-c1ncc(-c2ccc(Br)cc2)o1 224940873 KFPRYACYFWLPTJ-UHFFFAOYSA-N 433.305 6.332 0 40 IKAB COc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c(OC)c1 224961915 RQQKOJFSTBSYKU-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB Cc1ccc(C)c(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(Cl)c3)cc2)c1 225052282 LEURGVITCHOOBI-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CCc2nc(-c3ccc(-c4ccccc4)cc3)no2)cc1 225832356 FNASNVHJIHGIMF-UHFFFAOYSA-N 441.487 5.152 0 40 IKAB C[C@@H]1CCCN(c2cc(Cl)nc(NC(=S)NCc3ccc(-c4ccccc4)o3)n2)C1 225919802 LQTOKPYGOOWZTB-OAHLLOKOSA-N 441.988 5.113 0 40 IKAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1cccc(Br)c1 226287744 HMFQCBXHCGVXKC-UHFFFAOYSA-N 441.712 5.515 0 40 IKAB C[C@H](NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)c1ccc(Cl)cc1 260830840 UHAJYWMXWKZCCQ-HOCLYGCPSA-N 425.787 5.736 0 40 IKAB COCc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1-c1ccccc1 408541790 FVHBFBLINYRJJF-UHFFFAOYSA-N 441.453 6.016 0 40 IKAB CCCc1s/c(=N\C(=O)C23CC4CC(CC(C4)C2)C3)n(CC)c1-c1ccc(F)cc1 408561544 JKTBCLGPNHGQSX-PNHLSOANSA-N 426.601 5.972 0 40 IKAB CCOc1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)o2)C(=O)O)cc1OCC 408631978 BYRPINOWXYAEDJ-PDGQHHTCSA-N 446.912 5.405 0 40 IKAB CCc1cccc(CC)c1N1C[C@H](C(=O)Nc2ccc(Oc3ccccc3C)cc2)CC1=O 408640880 KCZPXUQCVRHHOS-JOCHJYFZSA-N 442.559 5.904 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2cccc(Cl)c2)c1C 408693780 DKOAUHNOWQRGTG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccccc2)cc1 408699994 YDAIIIBXHHSGQP-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB O=C(O)c1ccc(COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)cc1 408815273 HCIQTJOECRLBJG-STZFKDTASA-N 431.469 5.205 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2c(F)cccc2Cl)C1=O)Nc1cccc2ccccc12 409359335 NCWTYPUSGZBOJR-ODLFYWEKSA-N 440.883 5.307 0 40 IKAB CCN(CC)CC(=O)N1CCCCCCCCN(C(=O)CC(C)C)c2ccccc2C1 643554146 MAAUERVBLQYYPV-UHFFFAOYSA-N 429.649 5.090 0 40 IKAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)c(O)c(-n2nc3ccccc3n2)c1 643540 IKHGWONMOWFXMB-UHFFFAOYSA-N 434.499 5.205 0 40 IKAB COc1ccc(-n2c(SC(C)C)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)cc1 1249248 IZXUGOAZAGFNAM-QGZVFWFLSA-N 430.595 5.054 0 40 IKAB COC(=O)c1ccc(Oc2c(C)oc3cc(OC(=O)c4ccc(F)cc4)ccc3c2=O)cc1 1448172 BGZDWMPCECTQGV-UHFFFAOYSA-N 448.402 5.039 0 40 IKAB biogenic O=C(CSC1=N/C(=C\c2ccc(F)cc2)C(=O)N1c1ccccc1)c1ccc(F)cc1 1812007 RZUHOQDIUKHVIX-STZFKDTASA-N 434.467 5.325 0 40 IKAB CCCCOc1ccc(/C=C/[C@]23NC(=O)CCN2c2ccc(C)cc2C3(C)C)cc1OC 2126837 LRGCDADUFCTAIR-ZCUZSRHZSA-N 434.580 5.210 0 40 IKAB biogenic Cc1cccc(C(=O)Nc2sc3c(c2C(=O)Nc2ccc(Cl)cc2)CC[C@@H](C)C3)c1 2185820 OCNHZTDMDZVQNY-OAHLLOKOSA-N 438.980 6.339 0 40 IKAB COc1cccc(-n2c(SC(C)C)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)c1 2296911 DIGXEAVRANMWCI-UHFFFAOYSA-N 446.616 6.167 0 40 IKAB biogenic CN(Cc1ccccc1)C(=O)COC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 2655452 UVYKZLOSTYHRIA-UHFFFAOYSA-N 439.964 5.448 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccn(Cc2c(Cl)cccc2Cl)c1=O 3041305 FXJIUYNCUCFSHD-UHFFFAOYSA-N 442.129 5.763 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccco2)n1Cc1ccccc1)c1ccccc1 3288965 GYRSMUMQUUDKGI-UHFFFAOYSA-N 432.549 5.120 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCCC(=O)Nc3ccccc3)n2)cc1 3645263 PTIYPIHXTCKOSU-UHFFFAOYSA-N 433.455 5.292 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C(C)(C)C)cc2)cc1 3655516 QHQNIMADCWTVQP-UHFFFAOYSA-N 441.527 6.287 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(S[C@@H](C)C(=O)Nc3ccccc3)c2c1 6631083 GSCRNEQNRBWBCC-KRWDZBQOSA-N 429.545 5.815 0 40 IKAB C[C@H](NC(=O)C1CCN(C(=O)Nc2ccccc2)CC1)c1ccc(-c2ccccc2)cc1 8346077 PKYUGNIAUZDCAT-FQEVSTJZSA-N 427.548 5.475 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(nc3sc(C(=O)c4ccccc4)c(N)c3c2-c2cccs2)C1 8443128 GCEMRHKMFUKGBW-MRXNPFEDSA-N 446.641 6.989 0 40 IKAB C[C@@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccccc1)c1ccccc1 8591740 VBYFYQRIHFTGDV-OAHLLOKOSA-N 427.572 6.089 0 40 IKAB CC1CCN(c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2Cl)CC1 8832672 SBAMSXMATOAGRB-UHFFFAOYSA-N 442.184 6.245 0 40 IKAB Cc1ccc(-c2c3c(nc4sc(C(=O)Nc5cccc(Cl)c5)c(N)c24)CCCC3)o1 9057609 XGVSYSJXRWDRCX-UHFFFAOYSA-N 437.952 6.231 0 40 IKAB Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)cc1C 9212219 KTXNSLVPMSCJMG-UHFFFAOYSA-N 426.568 5.183 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2nn(-c3ccc(C)cc3)nc2c1 9252426 FAEHKKYWCCICHJ-UHFFFAOYSA-N 427.291 5.297 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@H](Sc2nnc(-c3ccoc3C)n2C)c2ccccc2)c1 9412523 ZXEBMBFNRPFCJP-OAQYLSRUSA-N 432.549 5.472 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccc(Cl)cc3)nc(-c3ccccc3)c2C)c1 9435092 YQWNULCPQRVMIL-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB O=C(Cc1ccc2c(c1)OCO2)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1 9522239 FIYLJZDTLGGSAZ-UHFFFAOYSA-N 436.920 5.454 0 40 IKAB Cc1cc2nc(N(Cc3ccccc3)C(=O)c3nc4ccccc4s3)sc2cc1C 9542781 ZSRRXCLYXPSDJH-UHFFFAOYSA-N 429.570 6.370 0 40 IKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc4ccccc34)cc2)n1 9573413 CNWGKPGBQDVBDK-UHFFFAOYSA-N 425.536 5.780 0 40 IKAB CCOc1cccc2sc(N(CCN(C)C)C(=O)c3cc4ccccc4cc3OC)nc12 9603963 DSDAMEGZKXSORM-UHFFFAOYSA-N 449.576 5.065 0 40 IKAB O=C(Nc1ccc(Cl)cc1)Nc1cc2c(cc1C(=O)c1ccccc1F)OCCO2 9906280 NCYBBBJHDGBHEE-UHFFFAOYSA-N 426.831 5.125 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2Cc2ccccc2)c1C 9949946 APSPPQCFUJHGNC-QGZVFWFLSA-N 448.548 5.097 0 40 IKAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc(C)c2)c1 10246596 XHWJENUTEGWCGP-UHFFFAOYSA-N 444.487 5.192 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2cccc(Cl)c2C)cc1 11116335 WVXVIMMSLHDULY-LEWJYISDSA-N 427.957 5.165 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3C)CC2=O)c1 12462800 SMFTUNQQJHZKBX-NRFANRHFSA-N 425.532 5.253 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)CCC(=O)c2ccc(F)cc2)c2ccccc2)c1 12566697 AEQZCCOSPBXKEY-VWLOTQADSA-N 433.479 5.329 0 40 IKAB Cc1ccccc1Nc1nc(CSc2nnc(Cc3cccs3)n2C2CC2)cs1 12594420 NAKZJLBGFQMIMK-UHFFFAOYSA-N 439.635 6.066 0 40 IKAB CCOC(=O)c1c(NC(=O)CSc2nc(C(C)C)nc3ccccc23)sc(C)c1C 12645996 UYFBCVLUYIXFDN-UHFFFAOYSA-N 443.594 5.339 0 40 IKAB CC(C)n1ncc2c(C(=O)N(C)Cc3ccc(C(F)(F)F)cc3)cc(-c3ccco3)nc21 12743366 NMMTVLBWJCDHNW-UHFFFAOYSA-N 442.441 5.563 0 40 IKAB CCCCCn1cnnc1S[C@H](C)C(=O)Nc1ccccc1Sc1ccccc1 12772697 SPVXWGGRQKXBCX-QGZVFWFLSA-N 426.611 5.739 0 40 IKAB COc1ccc2cc(CN(C)C(=O)c3csc(COc4ccc(F)cc4)n3)ccc2c1 12899947 JROZWJJWXRSFFI-UHFFFAOYSA-N 436.508 5.295 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)c3ccc4c(c3)OCCO4)c3ccccc3n2)cc1 13133748 OIWJTXBYLUJXKA-UHFFFAOYSA-N 439.467 5.021 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3c(Cl)ccc(C)c3Cl)c2n1 13149715 GRYXZMHWZLTJDV-UHFFFAOYSA-N 444.145 6.483 0 40 IKAB C[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 13709452 XFNGHTZSPATXCR-KRWDZBQOSA-N 429.903 6.130 0 40 IKAB C[C@@H](NC(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1)C12CC3CC(CC(C3)C1)C2 13896732 DDSHFZIWICAVGS-AOXVDABRSA-N 446.591 5.919 0 40 IKAB Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)c1 13936104 RIGALBQWGWFUPC-UHFFFAOYSA-N 445.997 5.567 0 40 IKAB Cc1ccc(C(=O)Nc2ccccc2C(=O)Nc2c(C)nn(-c3ccccc3)c2C)s1 14405209 JTJICNJTNUYKAX-UHFFFAOYSA-N 430.533 5.364 0 40 IKAB COc1ccc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)cc1 14920646 PXNVKYVGXJHDQI-UHFFFAOYSA-N 449.479 5.887 0 40 IKAB COc1ccc(-c2ccc(C(=O)Nc3ccc(N4CCCCC4)c(Cl)c3)o2)cc1Cl 16226907 XDOLPZQINKDBDG-UHFFFAOYSA-N 445.346 6.505 0 40 IKAB O=Cc1cn(CC(=O)Nc2ccc(Cl)c(Cl)c2)c2ccc(Br)cc12 17094697 BUBXIVMQNKRJAY-UHFFFAOYSA-N 426.097 5.162 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc4ccccc34)nc2c1)c1ccc(Cl)cc1Cl 17098313 HHQWRCYMUCFPIA-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2ccc(NC(=O)c3ccccc3C(=O)O)cc2)cc1 17098934 IUHOYNYUVOPMJX-MRXNPFEDSA-N 434.517 5.065 0 40 IKAB CC(C)(C)c1cc(/C=C\c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc(C(C)(C)C)c1O 17146867 AWUDLXWGQXPWFF-YPKPFQOOSA-N 436.680 8.458 0 40 IKAB Cn1cc(CN2CCC[C@H]([C@@H](NC(=O)CC3CCCC3)c3ccccn3)C2)c2ccccc21 19290447 VRDNAAHOVQVDHB-RBISFHTESA-N 444.623 5.223 0 40 IKAB COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(Oc2ccc(Cl)cc2)cc1 19637319 OTWHSVAAMFPDBB-UHFFFAOYSA-N 442.924 5.276 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CC(=O)N1CCC[C@H]1c1ccc(Cc2ccccc2)cn1 19688430 PRZTXXHEZBBYSP-SANMLTNESA-N 427.523 5.507 0 40 IKAB CN(C)c1ncc(-c2ccccc2)c([C@@H]2CCCN2C(=O)CCCc2ccc(F)cc2)n1 19689856 UUUCTBAEPYYMRU-QHCPKHFHSA-N 432.543 5.035 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN3C(=O)c3ccc(NC(C)=O)cc3)c2)cc1 19690704 MSTMCTFMVIRMEQ-RUZDIDTESA-N 429.520 5.001 0 40 IKAB Cc1nc([C@]2(O)CCCN(C(=O)CC3CCCCC3)CC2)sc1COc1ccccc1 19705179 HFRPNOWHUAOTDD-VWLOTQADSA-N 442.625 5.201 0 40 IKAB Cc1ccc(NC(=O)c2ccc3c(c2)C[C@H](C)N3S(=O)(=O)c2ccc(Cl)cc2)cc1 20448472 GANGVPDHWUNMCZ-INIZCTEOSA-N 440.952 5.041 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](C(=O)O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20677716 FOHYXUZZIWGCGD-MHZLTWQESA-N 439.559 5.009 0 40 IKAB CCOc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OCc1ccc(C)cc1 20874901 BKCZXOHLVZPRMT-QHCPKHFHSA-N 425.956 5.449 0 40 IKAB C[C@@H](Sc1nnc(-c2cccnc2)o1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 22149192 QDMHWMCRHBNLIR-SNVBAGLBSA-N 439.547 5.011 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)CN(c1ccccc1F)S(=O)(=O)c1cccs1 22392942 XROBEAPMNYYVJI-UHFFFAOYSA-N 446.569 5.153 0 40 IKAB Cc1ccc([C@@H](CC(=O)Nc2cccc(C(F)(F)F)c2)c2ccc(OC(C)C)cc2)cc1 26503774 STYRNZJDSZXKIR-XMMPIXPASA-N 441.493 6.962 0 40 IKAB Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccc4c(c3)CCCC4)on2)N2CCCC2)cc1 32624335 JJRYGBODEKZDIW-RUZDIDTESA-N 429.564 5.096 0 40 IKAB Cc1ccc(OCc2nc(CC(=O)Nc3ccc(Oc4ccccc4)cc3)cs2)cc1 33326394 PZZIPHIPOXWKAZ-UHFFFAOYSA-N 430.529 6.004 0 40 IKAB CC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@H]3[C@@H]2c2ccccc2)nc1C 33389716 LWCCFKSLVJUWCE-VBPXLXDBSA-N 427.573 6.455 0 40 IKAB O=C(O)[C@H]1C2c3ccccc3C(c3ccccc32)[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 34719567 RADZJAXNXHPDON-XABBQPORSA-N 438.310 5.540 0 40 IKAB CCOc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2O)cc(Cl)c1O[C@H](C)CC 35302305 KPMGEFWRZFAHDF-BPKVKKHESA-N 446.887 5.011 0 40 IKAB CC[C@H](C(=O)Nc1cc(-c2nc(-c3ccc4c(c3)OCO4)cs2)nn1C)c1ccccc1 35683150 NCBHKWWWFBUBNP-KRWDZBQOSA-N 446.532 5.072 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1cc(Cl)ccc1Oc1ccccc1 44839743 DDUHICLGOWCCFC-NRFANRHFSA-N 432.372 7.295 0 40 IKAB CCCCOc1ccc(-c2cc(C(=O)Nc3cccc(C(=O)OCC(C)C)c3)no2)cc1 61997108 PTKYTNLGFUNHIU-UHFFFAOYSA-N 436.508 5.586 0 40 IKAB CCOc1ccc(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)n2)cc1 67294879 LWJQRZBVHHEGLM-PNHLSOANSA-N 433.895 5.673 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)Nc4ccc(F)c(Cl)c4)nccn3n2)cc1C 72328549 XGRLBCDMYPUHLU-UHFFFAOYSA-N 440.931 5.536 0 40 IKAB O=C(O)[C@@H]1CC2(CCN(C(=O)c3ccc(-c4cccs4)cc3)CC2)Oc2ccccc21 96268120 VSNOHBNWCJAVHO-HXUWFJFHSA-N 433.529 5.041 0 40 IKAB Cc1ccc([C@H](C)N(C(=O)CCc2c(C)nc3ncnn3c2C)c2cc(C)ccc2F)cc1 97163203 CIMCHJXCERKPSX-IBGZPJMESA-N 445.542 5.224 0 40 IKAB COc1ccc(C2=NN(C(=O)c3cccs3)[C@H](c3ccccc3Cl)C2)c(OC)c1 97165263 UIKQZMJNZJHFRM-IBGZPJMESA-N 426.925 5.410 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)c(Cl)c1 98072736 KKUKCZFUYHFTKB-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(c4ccccc4)c4ccccc4)[C@@H]3C2=O)cc1 100200963 MRUOIWLNCJRXQQ-ZBVBGGFBSA-N 445.518 5.313 0 40 IKAB Cc1cc(-c2cnc(C(C)(C)C)nc2[C@H]2CC[C@H](CNC(=O)c3ccncc3C)CC2)on1 100743913 KQCVWQSOYPJZNO-KDURUIRLSA-N 447.583 5.145 0 40 IKAB CCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 100857977 VYCBEKSJSQZUQL-OCEACIFDSA-N 431.561 6.403 0 40 IKAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)(C)C 102675160 MFXRPKFYWKDYMI-KRRXPNTNSA-N 444.637 7.499 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4onc(C)c4[C@@H](c4ccc(O)cc4)C3=C(O)C2)cc1OC 102728018 CKOWHYRAUUEWKP-WAIKUNEKSA-N 432.476 5.314 0 40 IKAB CCOc1ccccc1[C@H]1CC2=Nc3ccccc3N[C@H](c3ccc(OC)cc3)C2=C(O)C1 103890308 PRWUKRXYJYHDLH-HMILPKGGSA-N 440.543 6.723 0 40 IKAB Cc1ccccc1C(=O)N[C@@H](C)c1nnc(SCc2ccc(Cl)cc2Cl)n1C 107933196 GCIXBBPHBMLQRW-ZDUSSCGKSA-N 435.380 5.214 0 40 IKAB O=C1S/C(=C/c2cccc(Br)c2)C(=O)N1Cc1ccc(Cl)cc1Cl 214410284 RLYKLEPTFWZSMR-VIZOYTHASA-N 443.149 5.992 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](CC(C)C)c3ccccc3)c2)cc1 216302746 ZSIHREMWRXNWGX-XMMPIXPASA-N 436.577 5.313 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)NCCSCc1ccc(Cl)cc1 218853168 IZZNZFZFKKFQSG-UHFFFAOYSA-N 449.197 5.184 0 40 IKAB Cc1cc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)ccc1Cl 222934328 DAFIHYSMFLDSDV-YADHBBJMSA-N 425.001 5.463 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223825685 SACWAHZQQXPXCP-LOSJGSFVSA-N 446.620 5.964 0 40 IKAB O=C(Nc1ccccc1F)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224067138 NZPQNSMHQAEMBV-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3C)c2)c1 224133930 RGXLMPKZNWCYTK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)c(OC)c1 224171475 GPWAWNCCKSRONI-UHFFFAOYSA-N 449.547 5.841 0 40 IKAB COc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224441885 BBZKIIHVGBYGTH-RPWUZVMVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc2ccccc2c1 224641363 XOGQCTHVWBTQRD-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(C)s2)cc1C 225148401 DYSBIWVSCHSIGF-FCHUYYIVSA-N 436.606 5.286 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NCCSCc2ccc(Cl)c(Cl)c2)c1 225344525 GDEDVUZDRURPTH-UHFFFAOYSA-N 439.355 6.232 0 40 IKAB CSc1ccccc1C(=O)NCC1=N[C@@H](c2ccccc2)c2ccccc2-n2cccc21 225376256 SVYCFOAGBYMGHR-SANMLTNESA-N 437.568 5.521 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)c(Cl)c1 225525992 XYDOHOAYQSRWSF-HTAPYJJXSA-N 449.422 5.566 0 40 IKAB CCCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CCC 225634746 RIKSOXLYHPOTRF-JOCHJYFZSA-N 449.422 5.650 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3cc(OC)ccc32)ccc1Cl 225687838 MDUAWSQOHJDHNM-SFHVURJKSA-N 448.972 5.114 0 40 IKAB Cc1cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1N1CCCC1=O 225779724 LROOBMHQHWHFBS-UHFFFAOYSA-N 434.923 5.607 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2[nH]c3ccc(F)cc3c2C)o1 257237318 HFYMMRJKUWSOEQ-JOCHJYFZSA-N 447.510 5.570 0 40 IKAB Cc1ccc2[nH]c(C(=O)N(CC(=O)O)Cc3cccc(F)c3F)c(-c3ccccc3)c2c1 257306353 STYCJGXFUWPWHO-UHFFFAOYSA-N 434.442 5.149 0 40 IKAB COc1ccccc1-c1ccc(CC2(C(=O)NCCc3ccc(F)cc3)CCOCC2)cc1 257319354 VSAVNHOMBRUNPP-UHFFFAOYSA-N 447.550 5.200 0 40 IKAB O=C1CS[C@@H](c2cc(Cl)ccc2OCc2cccc(F)c2)N1c1ccc(Cl)cc1 408557223 NVDUVIIZFUABMU-QFIPXVFZSA-N 448.346 6.490 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408635727 HURBBIYZCWDNOS-UHFFFAOYSA-N 442.824 6.100 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)c(Cl)c1 408695361 SHTDETBWVJMROZ-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2ccc(C)cc2)cc1 408697606 ILLBSOTWXGBNHW-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Fc1ccccc1COc1ccc(CNc2ccc(Oc3ccccc3)cc2)cc1Cl 409115369 IVXHKKJKIKKCPN-UHFFFAOYSA-N 433.910 7.463 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)c(OC)c2)C1=O 409209546 CHVIHDXXLBBNLN-STZFKDTASA-N 429.513 5.640 0 40 IKAB CCOc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(F)cc1 409376183 VORYMKFJURTXDW-UHFFFAOYSA-N 442.918 5.816 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3cc(C)cc(C)c3)c2)cc1 409381193 KQMXLUGZCHWVBZ-UHFFFAOYSA-N 438.549 5.064 0 40 IKAB CC(=O)N1CCCCCCCCN(C(=O)c2cnc(C3CC3)nc2C)Cc2ccccc21 643553373 PDLRFJRYMQSTJY-UHFFFAOYSA-N 434.584 5.012 0 40 IKAB O=C(NCc1ccc(Cl)cc1Cl)c1cnn2c(C(F)F)cc(-c3ccccc3)nc12 648919 JHWWWZJEYFZBLI-UHFFFAOYSA-N 447.272 5.571 0 40 IKAB Cc1cc(Br)cc(Br)c1OC(=O)COc1ccc(Cl)cc1 670352 KSLOIEKIEXRTCM-UHFFFAOYSA-N 434.511 5.158 0 40 IKAB Cc1cccc2cc(CN(C(=S)NCCc3ccccc3)C3CCCCC3)c(=O)[nH]c12 1224307 VRLCVSPOVCYFAO-UHFFFAOYSA-N 433.621 5.088 0 40 IKAB COc1ccc(C(=O)Nc2sc(C)c(C)c2[C@@H](c2ccccc2)N2CCOCC2)cc1 1236153 NKPRFZGSTQTGKD-HSZRJFAPSA-N 436.577 5.047 0 40 IKAB COc1ccc(-c2cn3nc(COc4ccc(Cl)cc4Cl)n4c3c2CCCC4)cc1 1811974 HOZFGJALIOFBTR-UHFFFAOYSA-N 442.346 6.034 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@@H](C(C)C)OC3 1828481 JTJMTFURXCGSPY-SFHVURJKSA-N 428.623 5.300 0 40 IKAB COc1ccc(-c2c(NC(=O)C3CCCCC3)n(-c3ccc(C)cc3)nc(C)c2=O)cc1 2365625 SWMVRFULICUROO-UHFFFAOYSA-N 431.536 5.044 0 40 IKAB Cc1ccc(-c2nc3c(c(SCC(=O)Nc4ccccc4C)n2)COC(C)(C)C3)cc1 2371075 RUCFNQCTPIMUSQ-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccccc3nc2NCc2ccccc2Cl)cc1 2427754 QOLPUNYMORFAFC-UHFFFAOYSA-N 438.940 5.005 0 40 IKAB Clc1cc(Cl)c(-c2c(Cl)c(Cl)cc(Cl)c2Cl)c(Cl)c1Cl 2521602 LJQOBQLZTUSEJA-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic O=c1oc2ccc(Br)cc2c(-c2ccc(Cl)cc2)c1-c1ccc(Cl)cc1 2576849 SQTXCKITDMTEHL-UHFFFAOYSA-N 446.127 7.196 0 40 IKAB biogenic Cc1ccc(-n2c(SC(c3ccccc3)c3ccccc3)nc3c(c2=O)SCC3)cc1 2719784 DJPYHXHMHXLBBT-UHFFFAOYSA-N 442.609 6.071 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12 3294626 ZPTRWIPKMNTDIJ-HXUWFJFHSA-N 441.918 5.225 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3F)o2)c(C)n1Cc1cccs1 3408606 UPGZKFYFMMWAAW-UHFFFAOYSA-N 427.526 5.379 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(F)cc1 4786726 COWGUGYUPXKJIP-HSZRJFAPSA-N 428.467 5.112 0 40 IKAB Cc1ccc(NC(=O)NC[C@@]2(C)C[C@H](NC(=O)Nc3ccc(C)cc3)CC(C)(C)C2)cc1 5085427 CSPTYTLNTZSUIM-GJZUVCINSA-N 436.600 5.832 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cccc(Cl)c2Cl)nc2ccccc2c1=O 6190532 BRQALNOCDWVUFL-UHFFFAOYSA-N 436.364 5.090 0 40 IKAB COc1ccccc1[C@H]1c2c(-c3ccc(Cl)cc3)n[nH]c2C(=O)N1c1ccc(C)cc1 8595603 NZALAYHRGNGCSX-DEOSSOPVSA-N 429.907 5.797 0 40 IKAB aggregator O=C1C[C@@H](c2nc3ccccc3n2CCOc2ccc(Cl)cc2)CN1c1ccccc1F 8758286 UAPQVIKYNJNMPM-QGZVFWFLSA-N 449.913 5.428 0 40 IKAB O=[S@](Cc1cc(Sc2ccccc2)nc(-c2ccccc2)n1)c1ccc(Cl)cc1 8762854 YFLWLELMDYZTCE-LJAQVGFWSA-N 436.989 6.256 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccccc2)N3)[C@H]2CCCC[C@H]12 9059393 QANJKHRCIWLGFM-XEOJFFABSA-N 446.517 5.584 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3O)nc2c1 9064717 IVIYNWAGVFAKHS-UHFFFAOYSA-N 449.507 5.590 0 40 IKAB COCCN(Cc1cccs1)C(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 9577946 XHURFSFFSFLQJP-JOCHJYFZSA-N 433.577 5.220 0 40 IKAB COc1ccc(CSc2nnc(-c3ccccc3OC)n2C2CCCCC2)cc1F 9633673 ZEKCULWSRUIGDR-UHFFFAOYSA-N 427.545 5.899 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1Cc1ccccc1)Nc1ccccc1 9664166 DXOFNOUDDDPDPL-UHFFFAOYSA-N 434.952 5.378 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c([C@H](C)NC(=O)c3ccco3)nc3ccccc32)c1 11667273 XAINTRUAHCNPFA-IBGZPJMESA-N 431.536 5.631 0 40 IKAB CCC(CC)NC(=O)CSc1nc2cc(C(F)(F)F)ccc2n1Cc1ccccc1 12546515 GJIIEEJGTTWWIH-UHFFFAOYSA-N 435.515 5.500 0 40 IKAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)c1 12553100 BWWIKNUVHFJQIZ-INIZCTEOSA-N 444.560 5.669 0 40 IKAB O=C(Cc1csc(-c2ccc(Cl)cc2)n1)Nc1ccnn1Cc1cccc(Cl)c1 12848512 ROJHPKUJQHRIFE-UHFFFAOYSA-N 443.359 5.543 0 40 IKAB Cc1c([C@@H](C)NC(=O)Cc2c[nH]c3ccccc23)cnn1-c1cccc(C(F)(F)F)c1 12868216 CZRFPZYZFBFQLY-CQSZACIVSA-N 426.442 5.101 0 40 IKAB CCn1c(-c2ccc(Cl)cc2)nn(CN2CCC(C(=O)c3ccccc3)CC2)c1=S 12935589 YKTFSLWVGMQQGO-UHFFFAOYSA-N 441.000 5.307 0 40 IKAB COc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cc1OC 13134020 ICBOLYYWROHHST-HSZRJFAPSA-N 438.527 5.726 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cn(-c2ccccc2)nc1-c1cccs1 13138071 PVEOQVDEOQGMCA-UHFFFAOYSA-N 444.343 6.656 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccccc2SCc2ccccc2)CC1 13678255 RTRZXJYAWCCFKK-UHFFFAOYSA-N 437.008 5.903 0 40 IKAB CC[C@H](CO)Nc1nc(SC)nc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3 13787464 KHWVHJHKHRHZQY-CQSZACIVSA-N 436.606 5.300 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)c3ccc(Cl)s3)n2[C@H]2CCCC[C@H]2C)c1 14075399 AKOCAXHHNBGBCQ-WBVHZDCISA-N 446.041 6.695 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)/C=C/c1cc(C)n(Cc2ccco2)c1C 14108263 NQHHCMRVCBHTSP-BUHFOSPRSA-N 442.563 5.221 0 40 IKAB COc1cccc([C@@H]2CC(=O)Nc3sc(C(=O)Nc4ccc(Cl)cc4)c(C)c32)c1 15106741 FFUSEZXTRUETLF-KRWDZBQOSA-N 426.925 5.445 0 40 IKAB COc1ccc(-c2nc3ccccc3o2)cc1NC(=S)NC(=O)CCC(C)(C)Cl 16323340 FSADBDPMKQVHPX-UHFFFAOYSA-N 431.945 5.114 0 40 IKAB O=C(COc1cccc2ccccc12)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 17100113 NKRLGOIWOYMYPD-UHFFFAOYSA-N 436.467 5.856 0 40 IKAB CCc1ccc2oc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1 19644386 FIQGOFJUNOBWFF-UHFFFAOYSA-N 446.375 6.313 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccnc1Nc1ccccc1Br 22072573 ZMJVKEPFPUBNAU-UHFFFAOYSA-N 437.124 6.147 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)Nc3cccc(Cn4ccnc4)c3)cc12 25174165 GBDRWCUTLBBUEO-UHFFFAOYSA-N 431.496 5.032 0 40 IKAB O=S(=O)(Oc1ccc(OCc2ccccc2)cc1)c1cc(Cl)c(Cl)cc1Cl 26461407 HTTWKWWOAYUUNF-UHFFFAOYSA-N 443.735 5.994 0 40 IKAB COc1ccc([C@H](c2c[nH]c3ccccc23)N(C)C(=O)COc2ccc(Cl)c(C)c2)cc1 28288757 AKMYAKADOLJYMX-AREMUKBSSA-N 448.950 5.765 0 40 IKAB C[C@H]1CCN(C(=O)COc2ncnc3c(Cl)cc(Cl)cc23)c2ccccc2S1 28616823 GWCDACMFQCSPLI-LBPRGKRZSA-N 434.348 5.233 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2nc3cc(Cl)c(OC)cc3s2)c1 32127816 ZUXUEJIUFKWQAC-UHFFFAOYSA-N 449.985 5.264 0 40 IKAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C(c1ccccc1)c1ccccc1 32609823 PZXTUBRNERJNID-UHFFFAOYSA-N 447.485 5.585 0 40 IKAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C(c1ccccc1)c1ccccc1 32609899 HSIPUNCAGWYTLZ-UHFFFAOYSA-N 435.886 5.483 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4cccc5ccccc45)C3=O)co2)c(C)c1 32754341 JREMJHHYXBWUAZ-AREMUKBSSA-N 425.488 5.079 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cc1 32960751 HFSVBSUSMZAHSZ-OAQYLSRUSA-N 433.533 5.457 0 40 IKAB COc1ccccc1NC(=O)COc1cccc(-c2noc(-c3ccc(Cl)cc3)n2)c1 33327315 NISFRYUEDLXTKH-UHFFFAOYSA-N 435.867 5.083 0 40 IKAB CC1(C)C[C@H](NC(=O)CCC2CCCCC2)C[C@](C)(CNC(=O)CCC2CCCCC2)C1 38193946 ISCATKGXTNHYCZ-CUBQBAPOSA-N 446.720 6.525 0 40 IKAB CC(C)Sc1ncc(-c2ccc(Br)cc2)n1-c1ccc(OC(F)F)cc1 44088272 XXMYSMPINKPILR-UHFFFAOYSA-N 439.325 6.404 0 40 IKAB O[C@H](CN1CCCCCC1)CN1CCn2c3c(c4cc(C5CCCCC5)ccc42)CCC[C@@H]31 57049736 FVTKUMLHMGZMOF-YWEHKCAJSA-N 449.683 5.619 0 40 IKAB Cc1cccc(Cl)c1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 57487364 IIJUQQANRYMAJK-UHFFFAOYSA-N 441.965 5.140 0 40 IKAB CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3C[C@@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C)C(C)C 70691554 VGSSUFQMXBFFTM-UCUPHCFPSA-N 448.732 6.190 0 40 IKAB biogenic COc1ccccc1Cc1cccc(C2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)n1 72349679 YEPNXUOBZNRGJS-UHFFFAOYSA-N 439.559 5.111 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cnc(C(C)C)nc1 72370687 QYNZADJDQJERNI-LJQANCHMSA-N 436.625 5.162 0 40 IKAB COc1ccc(N(C(=O)c2ccc(Sc3ccccc3Cl)nn2)C(C)C)cc1F 78899889 LIHMBPXISJWTDM-UHFFFAOYSA-N 431.920 5.484 0 40 IKAB CN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Oc2ccc(Cl)cc2)c1 89365471 ZJZYEWSHPDPNST-UHFFFAOYSA-N 436.316 5.038 0 40 IKAB CCn1c(-c2c(C)oc3ccccc23)cs/c1=N/S(=O)(=O)c1ccc(Cl)cc1 100975542 FJRJBVUXCICJGQ-LSDHQDQOSA-N 432.954 5.234 0 40 IKAB COc1ccc(OC)c([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c1 102675557 JSGXHINLAZTFER-QFIPXVFZSA-N 448.548 5.259 0 40 IKAB CCn1c(SCc2ccc(C)cc2)nnc1[C@H](C)NC(=O)c1ccc(Cl)c(Cl)c1 107604237 WQHUUSCMKJBRES-AWEZNQCLSA-N 449.407 5.697 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 113965376 JKKFNMSYXOMNHS-UHFFFAOYSA-N 436.577 5.084 0 40 IKAB CCC(C)(C)[C@H]1CCc2nc3sc(C(=O)Nc4cccc5ncccc45)c(N)c3cc2C1 215674350 OKLHJXLNDNNSBL-INIZCTEOSA-N 444.604 6.220 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 222453844 XYQRVQIEHVKYQH-AREMUKBSSA-N 430.592 5.413 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(CCc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 222625148 KCVNTJUWVXJTJR-VGSWGCGISA-N 449.422 5.301 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 223031584 KADPQLNZAYAKSR-OAQYLSRUSA-N 438.612 5.005 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)c2ccc(OC)c(Cl)c2Cl)cc1C(C)C 223296350 MHZRUUKWRAAGGO-CYBMUJFWSA-N 446.396 5.482 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cccc(C)c1 223854698 SZMHPDOFMRDYGC-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB COc1cc(C)c(S(=O)(=O)NCCSCc2c(F)cccc2Cl)cc1C(C)C 223935380 XZVWZZRFKUQTIO-UHFFFAOYSA-N 446.009 5.131 0 40 IKAB Cc1cc(C)c(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224031302 RUTDVIORCOKMNF-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1Cc1ccccc1 224163088 GKNABIASVRGWFB-FTJBHMTQSA-N 438.600 5.725 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(Cl)c(C)c1 224206092 FNFSONVGWLWYND-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccc2c(c1)c1ccccc1n2CC 224461719 SRZJLTSMPMFWJZ-MHZLTWQESA-N 426.560 6.489 0 40 IKAB C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CSc1ccc(Cl)cc1 224643113 QMOQKYNEFUWTRM-SFHVURJKSA-N 445.028 5.298 0 40 IKAB O=C(NCc1cccc(CN2CCOCC2)c1)/C(=C/c1ccccc1Cl)c1ccccc1 224707026 QJWDBJVFAKPKEC-XIEYBQDHSA-N 446.978 5.029 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2C2CCCC2)N1CCCNc1ccccc1 225040344 NPTREJUPISHHCR-LOSJGSFVSA-N 445.636 5.473 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1c(Cl)cccc1Cl 225092297 WGJCJTOADMOBKT-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 225239266 YWSFJKNXDUWACW-WOJBJXKFSA-N 426.576 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)C)cc1 225516057 ROFOMQADZNKNLA-OFVILXPXSA-N 438.612 5.219 0 40 IKAB CC[C@H](NC(=S)Nc1ccc(Br)cc1F)c1ccc(OC)c(OC)c1 225719839 VKECUIMKAVXKRX-AWEZNQCLSA-N 427.339 5.043 0 40 IKAB CC(C)c1ccc(NC(=O)CN2CCC[C@H]2Cc2c(C(=O)O)sc3ccccc23)cc1 257283978 PATHIMKSZICNNL-IBGZPJMESA-N 436.577 5.369 0 40 IKAB Cc1cc(Nc2nc(C)c(C)s2)cc([C@H]2CN(Cc3ccc4ncccc4c3)CCO2)n1 257321718 WCXATXSDPYWSQB-XMMPIXPASA-N 445.592 5.329 0 40 IKAB O=C(C(=O)N1CCCCC1)c1cn(CCOc2cccc3ccccc23)c2ccccc12 408572416 RCEGLNUPSOZPMM-UHFFFAOYSA-N 426.516 5.069 0 40 IKAB Cc1c(Br)ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c1C 408596236 QLSFORQLOUNQHP-UHFFFAOYSA-N 432.170 5.500 0 40 IKAB Cc1ccc(COc2c(Cl)cc(CNc3ccc(Cl)cc3Cl)cc2Cl)cc1 408603127 AUZOJFMYTCQFLQ-UHFFFAOYSA-N 441.185 7.800 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2ccc(C)c(C)c2)cc1 408698777 PLSUIXFOIBIQFZ-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB O=C(Nc1cccc(F)c1)c1nc(-c2cccc(Cl)c2)n(-c2ccc(Cl)cc2)n1 408699074 UKXHNBIBXXSILX-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2cccc3ccccc23)nc1-c1cccc(Cl)c1 408699857 WPSSQVZRHWXLPR-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Cc1cccc(Cn2cc(-c3nc(O)c4c5c(sc4n3)CCCC5)c3ccccc32)c1 408735641 VLGKADDXNUQOOI-UHFFFAOYSA-N 425.557 6.254 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2ccccc2)n1CC(C)C 409094979 GWRGXSLPQWOAFC-UHFFFAOYSA-N 428.989 5.218 0 40 IKAB COc1cccc(CCNc2ccc3c(c2)CNCCCCCCCN3C(=O)C(C)C)c1 643575991 BSFIGAXMWQYZSK-UHFFFAOYSA-N 437.628 5.393 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4cc(Cl)cc(Cl)c4)sc3n2)c1 661310 RPZMBCNHVGMJHQ-UHFFFAOYSA-N 444.343 6.113 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=O)Nc2ccc(C(C)=O)cc2)cc1 1175772 AHMNNHBCNDCXPG-SFQUDFHCSA-N 437.499 5.402 0 40 IKAB CN(C(=O)CSc1nc(C2CC2)nc2ccccc12)c1nc(-c2ccccc2)cs1 1332643 CSOKDSKQXUGLQF-UHFFFAOYSA-N 432.574 5.386 0 40 IKAB COc1ccc(-c2cc3nc(-c4ccccc4)cc(NCC(C)(C)CN(C)C)n3n2)cc1 1341320 NUXMLMNQDOATAW-UHFFFAOYSA-N 429.568 5.072 0 40 IKAB Cc1ccc(CN(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C(=O)NCc2ccccc2)cc1 1378388 MSAXCCHWZWQBSK-UHFFFAOYSA-N 439.559 5.365 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1c(F)cccc1Cl)Nc1nccs1 1381412 JJUIMGBTMHBKPF-UHFFFAOYSA-N 432.933 5.064 0 40 IKAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1Nc1ccc(I)cc1 1774742 AICXFFVLCPVDLP-UHFFFAOYSA-N 446.288 5.377 0 40 IKAB Cc1cccc(-c2cc(C(=O)Nc3nc4ccc(Cl)cc4s3)c3ccccc3n2)c1 2082862 XYJBQNSJQLMREK-UHFFFAOYSA-N 429.932 6.726 0 40 IKAB CCCCc1cc(=O)oc2cc(C)cc(OC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)c12 2092571 IWUCBJASCQXJAP-ZHRRBRCNSA-N 445.556 5.289 0 40 IKAB biogenic CCOc1ccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5)cc4)ccc3o2)cc1 2137764 UUKGQAGAUMKZLT-UHFFFAOYSA-N 434.495 6.813 0 40 IKAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2c[nH]c3ccccc23)N1c1ccc(OC)cc1 2137947 PFSBXCNQABDDNW-VWLOTQADSA-N 440.503 5.079 0 40 IKAB Cc1c(C)c2cc(Cl)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)cc2oc1=O 2234113 YOFNPSOIQXDEBP-UHFFFAOYSA-N 437.920 5.054 0 40 IKAB CCC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 2263398 JTCQHBAZHORCTE-OPAMFIHVSA-N 437.565 5.304 0 40 IKAB CC1CCN([C@@H](C)C(=O)N2c3ccccc3[C@](C)(c3ccc(Cl)cc3)CC2(C)C)CC1 2292548 KHAKSADXWAYEPL-DCFHFQCYSA-N 439.043 6.282 0 40 IKAB CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Cl)cc1Cl 2371000 TVDPOCVINOIXSD-CCLHPLFOSA-N 430.312 5.717 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1 2405140 CCUKGXFLULDRAV-HXUWFJFHSA-N 437.904 5.507 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)(C)C)cc1)N(C[C@@H]1CCCO1)C3=O 2432326 LJHIHQBNTUFWAO-RDPSFJRHSA-N 445.559 5.432 0 40 IKAB CC(C)(Nc1ccccc1)c1nnnn1[C@@H](/C=C/c1ccc(Cl)cc1Cl)C(C)(C)C 2461721 GRCZQAAWAHSMGU-PKHIPVCBSA-N 444.410 6.628 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4ccccc4)cc2-3)cc1 2688708 WABCCFOYBROPBK-UHFFFAOYSA-N 439.515 5.667 0 40 IKAB CCc1ccc(C(=O)c2cnc3ccc(OC)cc3c2S(=O)(=O)c2ccc(C)cc2)cc1 2693148 QXBYIYGWPHBTGU-UHFFFAOYSA-N 445.540 5.178 0 40 IKAB Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1C[C@H]1CCCO1 3297216 WDJLFVZDYYDGOO-QGZVFWFLSA-N 445.635 5.236 0 40 IKAB CC(C)c1ccc(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)cc1 4699049 SFFRXPOUVVSNRQ-UHFFFAOYSA-N 425.554 5.626 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2Cl)sc2c1CCCCC2 8430233 IFPJMIGSQJXUQN-UHFFFAOYSA-N 442.364 5.518 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)N(c1ccccc1)c1ccccc1 8441357 GNWFLRFYSXTEPM-UHFFFAOYSA-N 431.586 6.027 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@](=O)c1cccc(C(F)(F)F)c1 8857018 ZTSSTXCLTNSOBX-SSEXGKCCSA-N 428.431 5.990 0 40 IKAB Cn1c(SCc2ccc(Cl)cc2Cl)nnc1-c1ccccc1Br 9058315 WTCSBYJBMVJVMN-UHFFFAOYSA-N 429.170 5.844 0 40 IKAB COc1cccc(-c2ccc3c(N)c(C(=O)Nc4nc5ccccc5s4)sc3n2)c1 9211574 QQXYHQYFXBAEBI-UHFFFAOYSA-N 432.530 5.416 0 40 IKAB Cc1cccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)c1C 9250378 DCUJQYLWSJCGAS-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)cc3Cl)n2Cc2ccco2)c1 9307367 OIJSPIZRUZJFCY-UHFFFAOYSA-N 430.360 6.494 0 40 IKAB COc1cccc(CSc2nnc(-c3cccc(OC)c3)n2-c2ccc(Cl)cc2)c1 9308967 SQWXTUZIRKLMGP-UHFFFAOYSA-N 437.952 5.897 0 40 IKAB CCOc1ccc(C(=O)N2CCN=C2SCc2c(F)cccc2Cl)cc1OCC 9381063 VWIHQODMVGQAMV-UHFFFAOYSA-N 436.936 5.022 0 40 IKAB Cc1ccccc1-n1c(C)nnc1S[C@@H](C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9509351 SPCPMLPYRGOGFB-KGLIPLIRSA-N 449.407 5.549 0 40 IKAB CCc1ccccc1NC(=O)COC(=O)c1c(C)c(-c2ccc(C)cc2)nc2ccccc12 9525779 QCCFGVKVYGZDNW-UHFFFAOYSA-N 438.527 5.877 0 40 IKAB Cc1sc2ncnc(SCc3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)c2c1C 9562240 KKPSLKFVKKZRJR-SECBINFHSA-N 428.608 5.023 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)N(c1ccccc1)C1CCCCC1 9645573 MRVXRFMRLMWYBW-UHFFFAOYSA-N 438.622 5.800 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C(F)(F)F)n2C)c2ccccc2)cc1Cl 9665541 WSJGIWILDRJIOL-HNNXBMFYSA-N 440.878 5.268 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1nn2c(c1Cl)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F 9780373 CGGJPQBOGMMGRQ-BYNQJWBRSA-N 446.926 5.661 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)cc1 10120431 HZQIVJXPFYWXLR-LJQANCHMSA-N 428.532 6.219 0 40 IKAB CC(C)n1c(SCC(=O)Nc2ccc(F)c(F)c2F)nnc1-c1cc2ccccc2o1 10174768 JPIJGDLFWAAWQZ-UHFFFAOYSA-N 446.454 5.420 0 40 IKAB COc1ccccc1-n1cnnc1S[C@@H](C)c1nc(-c2cccc(C(F)(F)F)c2)no1 10658695 TWLZRTQILHSXTK-LBPRGKRZSA-N 447.442 5.198 0 40 IKAB CCc1ccc(NC(=O)CN2c3ccc(C(C)C)cc3-c3ccccc3S2(=O)=O)cc1 11120383 UKBPXPNUGWHAOQ-UHFFFAOYSA-N 434.561 5.187 0 40 IKAB CN(CCO)CC(=O)Nc1cccc(-c2cc(-c3ccccc3)c3cc(Cl)ccc3n2)c1 11692718 KHIILCXFNVMUAX-UHFFFAOYSA-N 445.950 5.085 0 40 IKAB O=C(Nc1nc(CSCc2ccc(F)cc2)cs1)c1cc(=O)c2ccccc2o1 12230239 CEZWMOYIDJGITJ-UHFFFAOYSA-N 426.494 5.074 0 40 IKAB CC(=O)c1ccccc1N(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 13026913 ALODGCMYCQPXNX-VWLOTQADSA-N 444.531 5.238 0 40 IKAB C[C@H](Oc1ccc(F)cc1Br)c1nc2scc(-c3ccccc3)c2c(=O)[nH]1 13120468 HPQBCWNXIPQJFN-NSHDSACASA-N 445.313 5.693 0 40 IKAB Cc1ccc(C2=NN(c3cccc(C(F)(F)F)c3)[C@@H](c3ccc(Br)cc3)C2)o1 13302780 STVVEVRYXWFZSD-LJQANCHMSA-N 449.270 6.725 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc2ccccc12)c1ccccc1 13685460 YXTDSUHEZOBPFP-VQTJNVASSA-N 438.527 5.737 0 40 IKAB CCOc1ccc(Oc2ccccc2NC(=O)Cc2nc(-c3ccccc3)oc2C)cc1 14166895 IDYBJHCBNWNBJT-UHFFFAOYSA-N 428.488 6.022 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 15881936 UCSBMOMJBGTAQS-UHFFFAOYSA-N 429.977 5.131 0 40 IKAB Cc1cc(SCC(=O)N2N=C(c3cccs3)C[C@@H]2c2ccco2)nc(C(C)C)n1 16454530 VBBCHXMCGCRKQL-MRXNPFEDSA-N 426.567 5.033 0 40 IKAB Cc1oc(-c2ccc(Cl)cc2)nc1COC(=O)c1nnn(-c2cccc(Cl)c2)c1C 16842449 SDPSTDNNXLCLAR-UHFFFAOYSA-N 443.290 5.203 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4ccc(C)c(C)c4)nc3c2)cc1 17095934 GIOSUISNOGUGON-KRWDZBQOSA-N 428.532 6.643 0 40 IKAB O=C(Nc1ccc(Br)cc1F)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17096269 DOQIICDDUDEVKA-UHFFFAOYSA-N 429.072 6.407 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)c(O)c2)cc1 17097557 JNYIYUSXQBXHEJ-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc(Cl)c(-c3nc4cc(C)ccc4o3)c2)cc1 19648260 WCGSPBOPMQRATJ-QGZVFWFLSA-N 448.950 6.988 0 40 IKAB Clc1ccccc1-c1nnc(CSc2nnc(-c3ccc(Br)cc3)o2)o1 19927972 LGUYDBPGCOFHOM-UHFFFAOYSA-N 449.717 5.495 0 40 IKAB Nc1c(Br)cc2oc(-c3cccc(C(F)(F)F)c3)nc2c1Br 20437087 YINASPOWWGMCOD-UHFFFAOYSA-N 436.025 5.621 0 40 IKAB Cc1csc(SCc2c(C(=O)Nc3nnc(C4CC4)s3)oc3ccccc23)n1 21292627 YJCFRHJDZORLMF-UHFFFAOYSA-N 428.564 5.471 0 40 IKAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccccc2F)c(OC)c1 22109908 BKDKBTCEGIHKTH-UHFFFAOYSA-N 436.940 5.017 0 40 IKAB Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3cccc(C(F)(F)F)c3)cs2)n1 25716601 OFOXZMJZNRJIPO-QGZVFWFLSA-N 447.482 5.358 0 40 IKAB CCN(C(=O)c1cc(-c2ccc(C)s2)nc2onc(C)c12)c1nc2ccccc2s1 26908629 AEOITEHYTXTSKB-UHFFFAOYSA-N 434.546 5.845 0 40 IKAB CCN(C(=O)COc1cc(C)cc(C)c1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993212 LNGKCQQOIBJQHP-MUUNZHRXSA-N 426.560 6.110 0 40 IKAB COc1ccc([C@@H]2SCCN2C(=O)Nc2cccc(Cl)c2)cc1Br 28232287 PJJOBWXASZZBOX-INIZCTEOSA-N 427.751 5.391 0 40 IKAB CCCCN(CCCC)C[C@@H](C(C)=O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841530 SGJLLIYCHAVIGF-UKILVPOCSA-N 449.591 5.738 0 40 IKAB CCCCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(CCCC)cc3s2)cc1 32118826 RGBIUXHFOLIKGT-UHFFFAOYSA-N 441.622 5.945 0 40 IKAB CCCn1nnc(NCc2cc(Cl)ccc2OCc2ccc(Cl)cc2Cl)n1 32617127 AJMDMDRVAIVLKO-UHFFFAOYSA-N 426.735 5.234 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccccc2c1=O 33636012 SBRMLECIPHCNFG-UHFFFAOYSA-N 436.364 5.090 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1Cl 34848727 JESPTXBXQZSYCV-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1CNc1cc(Cl)ccc1Cl 34855857 DQPCBLMMCVQYHJ-WCSRMQSCSA-N 448.158 6.406 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2Cl)cc1 34933863 REHOYKACRGUDNM-NTEUORMPSA-N 444.918 5.916 0 40 IKAB CCc1ccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccc(Cl)cc4)cc3)S2)cc1 35042770 RMJIVJDETCXAPT-HZHRSRAPSA-N 448.975 6.564 0 40 IKAB CC[C@@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 36747875 ALFQBIROTOVSQJ-FNAQCPJJSA-N 434.624 5.050 0 40 IKAB Cc1noc(C)c1C(=O)NC[C@H](c1ccccc1)c1c(-c2ccccc2)[nH]c2ccccc12 40160259 NWMCLTPPTKQCHR-HSZRJFAPSA-N 435.527 6.002 0 40 IKAB CC(C)c1ccc(OCC(=O)NC(c2ccccc2)c2ccccc2)c(Br)c1 40942901 JVZNXLJYSXEOMS-UHFFFAOYSA-N 438.365 5.857 0 40 IKAB Cc1cc(C)cc(OC(=O)CSc2nc3ccccc3n2Cc2ccccc2Cl)c1 41076889 CKKUUKRFBHBIEH-UHFFFAOYSA-N 436.964 6.053 0 40 IKAB CCC(=O)N1N=C(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)C[C@@H]1c1ccccc1C 46085295 SHSMTMHIUJLQEG-HHHXNRCGSA-N 447.582 6.915 0 40 IKAB COc1ccc(CCN(C)C(=O)[C@@H]2CC=CC[C@H]2c2nc3ccccc3s2)cc1OC 58010623 HHKOZMZTRNTEKU-RTBURBONSA-N 436.577 5.064 0 40 IKAB CCCCc1ccc(NC(=O)c2cnc3scc(-c4ccccc4Cl)n3c2=O)cc1 64788024 NFXOMMRQSVVFQB-UHFFFAOYSA-N 437.952 5.671 0 40 IKAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)Nc1cccc(CS(=O)(=O)C(C)(C)C)c1 72304099 LEKHVSZNBOBDET-GOSISDBHSA-N 430.614 5.417 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cnc(C(C)C)nc1 72370688 QYNZADJDQJERNI-IBGZPJMESA-N 436.625 5.162 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(C(F)(F)F)c1)c1ccc(Br)c(F)c1 95067895 YELZZOHADNPCGU-UHFFFAOYSA-N 432.620 5.061 0 40 IKAB Cc1occc1-c1nnc(SCCOC(=O)Nc2ccccc2)n1Cc1ccccc1 95468095 BGTVSEIIFIRVIZ-UHFFFAOYSA-N 434.521 5.236 0 40 IKAB CC1(C)CC2=Nc3ccccc3N(C(=O)Cc3ccccc3)[C@H](c3ccco3)C2=C(O)C1 103523483 KOMGXIFITASVFW-AREMUKBSSA-N 426.516 6.315 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 222456814 NHGWNVUXLKJXDO-OAQYLSRUSA-N 435.395 5.176 0 40 IKAB CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCSc1ccc(Cl)cc1 222580796 WFEJNSGIIIWHMA-HNNXBMFYSA-N 439.408 5.029 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222902985 SBPWVWNNUWVFNG-CQSZACIVSA-N 439.358 5.007 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCCCc1ccc(Cl)cc1 223082657 AYLWOAOWPAFHDR-JWGURIENSA-N 438.980 5.230 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C(C)C)cc1 223364601 YQWBMJJPEDBZPU-JOCHJYFZSA-N 449.422 5.603 0 40 IKAB S=C(NCC1(c2cccc(Cl)c2)CCCCC1)Nc1ncc(Cl)nc1Cl 224002820 CYMBGALWNHSABI-UHFFFAOYSA-N 429.804 5.625 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1CSc1ccc(Cl)cc1 224348181 BBAWVFNDTKNTGP-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3)o2)c1 224900741 KOXNIEABMVEUFJ-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225029714 JCTPXQNFWNIPJN-MHZLTWQESA-N 448.651 5.999 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCOc1ccc(Cl)cc1 225116096 NAODTNGBBFHEPX-VQTJNVASSA-N 445.003 5.139 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(C)cc2)[C@H](CC)C(=O)NC2CCCCC2)cc1 225124146 SCHGFBWZXHORQK-HHHXNRCGSA-N 448.651 5.746 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc2c(c1)sc(=O)n2C(C)C 225176900 AHZXKTHKBIYOSD-HXUWFJFHSA-N 426.582 5.738 0 40 IKAB Cc1cc(NC(=S)NCCSCc2ccccc2Cl)ccc1Br 225296185 DYDWBFAWSGZVTQ-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB CC(C)Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C(C)(C)C)c2)cc1 225340827 OOVKKUJBEJOBBE-GOTSBHOMSA-N 434.609 5.602 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(C)cc3)CCOCC2)ccc1O[C@H](C)CC 225773622 MPNKIOASWVZGEW-LJQANCHMSA-N 439.552 5.036 0 40 IKAB CC(C)COc1ccc(NC(=O)C(C)(C)NC(=O)OCc2ccccc2)c2ccccc12 225925223 QMHAPRAQZVFRQZ-UHFFFAOYSA-N 434.536 5.518 0 40 IKAB CC(C)C[C@]1(O)CCN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1Oc1ccc(F)cc1 257237074 HFBLOSXWTMMUEI-LADGPHEKSA-N 445.918 5.296 0 40 IKAB COC(=O)C(=Cc1cc(Cl)cc(Cl)c1OCc1cccc2ccccc12)C(=O)OC 409044883 DYSSDDTXDBELSX-UHFFFAOYSA-N 445.298 5.455 0 40 IKAB O=C(NCCC1=CCCCC1)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@@H]1[C@@H](c1ccccc1)N2 409176559 RDBGKCMDFPVOPM-WTBBXUJBSA-N 426.604 6.603 0 40 IKAB O=C(CCC(=O)OC(c1ccccc1)c1ccccc1)Nc1nc(-c2ccccc2)cs1 409178475 INRIPUFIWOKAKO-UHFFFAOYSA-N 442.540 5.862 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3cc(C)n(NC(=O)c4ccccc4)c3C)C2=O)c1 409215002 ZBSNVRGTFOIYJB-HMAPJEAMSA-N 445.544 5.034 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(OCc3c(F)cccc3Cl)c2)C1=O 409358878 LWQFDVHZWJVRAJ-YBFXNURJSA-N 435.904 5.513 0 40 IKAB O=C(O)c1ccc([C@H]2CCCN2C(=O)CCc2ccccc2)nc1-c1ccc(Cl)cc1 2037873514 SBBOCMLISCBACZ-JOCHJYFZSA-N 434.923 5.397 0 40 IKAB c1ccc(-c2ccc(Nc3ccc(-c4cccc5ccccc45)cc3)c(-c3ccccc3)c2)cc1 2113462457 REMCIXNSORACAY-UHFFFAOYSA-N 447.581 9.584 0 40 IKAB O=C(Nc1nc2ccccc2s1)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 679866 XNHCOTWSIZBCAG-UHFFFAOYSA-N 425.469 5.493 0 40 IKAB Cc1cc2cc3c(cc2nc1SCC(=O)Nc1cccc(C(F)(F)F)c1)OCCO3 928301 JQOYORBGBBMEJI-UHFFFAOYSA-N 434.439 5.064 0 40 IKAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N(c1ccccc1)c1ccccc1 1324260 PGMGTHAKSCRREW-UHFFFAOYSA-N 426.516 6.869 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2C)o1 1333658 DKWJJTJWZPVETJ-DEOSSOPVSA-N 436.577 5.334 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nc2scc(-c3ccc(C)cc3)c2c1=O 1465548 JFJXQSYXXAPYJF-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)C[C@@H]1C 1833134 HDQZETFNIWCCJR-DCFHFQCYSA-N 440.587 6.517 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2ccc(Br)cc2Br)c(C)c1 2069509 KVCGAIULWVVRJH-UHFFFAOYSA-N 440.179 5.619 0 40 IKAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccc(Br)cc3)NC(=O)CCN21 2111621 MIMHOWBZOWDYHU-ABSORMQESA-N 425.370 5.039 0 40 IKAB biogenic COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(c2ccccc2Cl)CO4)cc1 2118741 NRTLONHBIYWZRI-UHFFFAOYSA-N 433.891 5.787 0 40 IKAB biogenic O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3s2)cc1 2144610 QCCFKALWEOYMBZ-UHFFFAOYSA-N 442.584 7.029 0 40 IKAB CCc1nc2sc3c(c2c2nnc(SCc4ccccc4Cl)n12)CC(C)(C)OC3 2221443 XTBMBQWHFBQWPQ-UHFFFAOYSA-N 445.013 5.698 0 40 IKAB CCOc1cccc2c1N(C(=O)c1ccc(F)cc1)C(C)(C)c1ssc(=S)c1-2 2230043 FRZCTJBAKHMZMC-UHFFFAOYSA-N 431.579 6.639 0 40 IKAB Cc1ccc(-n2c(-c3cccc(Br)c3)nc3nc4ccccc4nc32)cc1Cl 2251210 WMMQLUDCIODGHB-UHFFFAOYSA-N 449.739 6.360 0 40 IKAB CCCCc1nc2sc3c(N(CC)CCCC)nc(SC)nc3c2c2c1CCC2 2403231 MEVKDDXHKYBALG-UHFFFAOYSA-N 428.671 6.419 0 40 IKAB Cc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(Cl)cc2)cc1 2430559 VPTOTWJJLFEGIB-UHFFFAOYSA-N 429.907 5.422 0 40 IKAB O=C(N[C@H](C(=O)O)c1ccc(Cl)c(Cl)c1)OCC1c2ccccc2-c2ccccc21 2576125 IHZVAPWDHBFRTD-NRFANRHFSA-N 442.298 5.658 0 40 IKAB CCn1ncc(-c2cc(C(=O)Nc3ccc(F)cc3OC(F)F)c3ccccc3n2)c1C 2805320 IMBYQFVQTQLEKO-UHFFFAOYSA-N 440.425 5.419 0 40 IKAB CCOC(=O)c1nnc(-c2cccc(C(F)(F)F)c2)nc1Sc1ccccc1Cl 3049296 DOXUIJPACLJBMI-UHFFFAOYSA-N 439.846 5.539 0 40 IKAB O=c1sc2c(s1)SCCSc1sc(=S)sc1SCCS2 3194296 IQMLXEOSBMZHFP-UHFFFAOYSA-N 432.776 6.104 0 40 IKAB CC(C)c1ccccc1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 3226714 LOKSPEBSFVGVSW-UHFFFAOYSA-N 430.529 5.882 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2F)s1)Nc1ccccc1C(F)(F)F 3314631 KVPFAWDOIPRKDG-UHFFFAOYSA-N 428.436 5.170 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccccc1)C(C)C 3411195 JMDCKEPKZJWNQP-UHFFFAOYSA-N 443.016 5.384 0 40 IKAB CN(C)c1ccc(NC(=O)CSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1 3645166 GTGAFMBRLKJPPG-UHFFFAOYSA-N 438.500 5.021 0 40 IKAB COc1ccccc1NC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Cl)c1 4786542 PRHRNEZNIAQNMJ-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB CCCCCCOc1ccc(C(=O)O[C@@H](C)C(=O)Nc2c(CC)cccc2CC)cc1 5487842 ZWSSSRRBSJKZGL-IBGZPJMESA-N 425.569 5.955 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@H](Nc3ccccc3)C[C@H]2C)cc1OC 8425614 SJNMKJOWLUSYHQ-SCKDIAMCSA-N 428.532 5.696 0 40 IKAB biogenic O=C1c2ccccc2N[C@H](c2cn(Cc3ccccc3)nc2-c2cccnc2)N1C1CCCC1 8720918 LCODZWOOISOLFK-MHZLTWQESA-N 449.558 5.503 0 40 IKAB CCOc1ccc(-n2c(N)c(C(=O)OC3CCCCC3)c3nc4ccccc4nc32)cc1 8836554 CKPKYRINCMBQTF-UHFFFAOYSA-N 430.508 5.044 0 40 IKAB COc1cc(NC(=O)COc2cc(C)ccc2C(C)C)ccc1NC(=O)c1cccs1 9010432 ZZWRVJAJJLTDIG-UHFFFAOYSA-N 438.549 5.458 0 40 IKAB COc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@@H]1CCCO1 9130126 JHMSBSMPRKYTOI-SFHVURJKSA-N 444.535 5.088 0 40 IKAB COc1ccc(-c2cncnc2-c2ccc(OCc3ccc(Cl)cc3)cc2O)cc1OC 9130199 MMJPEFXCVPWJJU-UHFFFAOYSA-N 448.906 5.766 0 40 IKAB biogenic C[C@@H]1CCc2c(sc(NC(=O)c3ccc4c(c3)OCO4)c2-c2nc3ccccc3s2)C1 9175821 ZSKKXVXIPWGKLC-CYBMUJFWSA-N 448.569 6.131 0 40 IKAB O=C(CN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12)Nc1cccc(C(F)(F)F)c1 9288183 ZLLZGJHWGAKFDJ-HSZRJFAPSA-N 449.432 5.371 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12 9499495 YTVCOKPXOYOIFU-OAHLLOKOSA-N 449.963 6.078 0 40 IKAB CN(C)C(=O)[C@@H](Sc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 9602709 SPQYTTHHKGIHHG-NRFANRHFSA-N 440.638 5.357 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Br)o1)c1ccc2c(c1)CCCC2 9669856 YXJUPOODGSFMRH-UHFFFAOYSA-N 429.339 5.353 0 40 IKAB CCCCOc1ccc(-c2nn(-c3ccccc3)cc2CN[C@@H](C)c2cccnc2)cc1F 9671270 GZCLNJANINAVPK-FQEVSTJZSA-N 444.554 6.103 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc2c(c1)OCO2 10003953 MLWDTXYMPYWSIF-UHFFFAOYSA-N 447.541 5.127 0 40 IKAB CCCCN1C(=O)[C@@](O)(CC(=O)c2ccc(CCC)cc2)c2cc(Br)ccc21 10058813 YZGOMKMLZGLBJS-HSZRJFAPSA-N 444.369 5.009 0 40 IKAB CCOc1ccccc1Nc1nnc(SCc2nc(N)c3c(C)c(C)sc3n2)s1 10396013 MXUCQPGXHFHLDE-UHFFFAOYSA-N 444.611 5.176 0 40 IKAB COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccccc2C(F)(F)F)cc1 11117589 PDNQNBQRHGXTLI-VQTJNVASSA-N 447.482 5.222 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)c(Cl)c1 12192321 DXNNSHORKDCYCN-AHWVRZQESA-N 445.349 7.389 0 40 IKAB COc1cc(/C=C/C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cc(Cl)c1OC(C)C 12601560 ZKRJNIUACUIGON-CTDFXDFQSA-N 439.943 5.389 0 40 IKAB COc1cccc(NC(=O)[C@H](c2ccccc2)N(C)[C@@H](C)c2nc3ccccc3s2)c1 12811309 HQRGVXJEBXMEEN-SBUREZEXSA-N 431.561 5.678 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)c1ccc2c(c1)OCO2 12877325 IZGKASBNIHAJBB-UHFFFAOYSA-N 430.894 5.308 0 40 IKAB CN1C(=O)Cc2cc(C(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)ccc21 12983816 GKRMJFBHNBILIG-UHFFFAOYSA-N 440.524 5.503 0 40 IKAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccc(C)cc2)c1 13026908 JZJKZJCFFDBHFS-VWLOTQADSA-N 444.531 5.238 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3c[nH]c4ccccc34)nc3ccccc3c2=O)c(C)c1 13098846 ZWFYLIFAWMJGTC-UHFFFAOYSA-N 439.540 5.459 0 40 IKAB CCc1ccc(OCc2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2CC)cc1 13842249 ZGAXWCBCIPZUEU-UHFFFAOYSA-N 438.597 5.294 0 40 IKAB CSc1cccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c1 14153821 CWFXVOAQWSBFDX-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)OCC(=O)Nc3ccc(SC(F)F)cc3)o2)cc1 14802964 BRPAAQQQWDGFQL-UHFFFAOYSA-N 446.475 5.079 0 40 IKAB CCCN(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)c1oc2c(Cl)cccc2c1C 15648111 JDVVKOMNKPIUMT-UHFFFAOYSA-N 438.833 5.303 0 40 IKAB CCc1ccc(C(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(Br)cn2)cc1 16161519 NUSKLQVZHPAZSM-UHFFFAOYSA-N 437.337 5.456 0 40 IKAB COc1cc(CNCc2ccc(C(=O)O)cc2)ccc1OCc1ccc(Cl)cc1Cl 16214720 SFSMPUJEKFNFKI-UHFFFAOYSA-N 446.330 5.569 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1Cl)Nc1nc(-c2ccc3ccccc3c2)cs1 17094321 GRZFXFOJOXPHMW-CSKARUKUSA-N 425.340 6.922 0 40 IKAB COc1ccc(CN(C)C(=O)c2cc(-c3cccs3)nc3ccccc23)c(OC)c1OC 18073814 IXMSLWXFOCPCAU-UHFFFAOYSA-N 448.544 5.261 0 40 IKAB NC(=O)c1cc2cc(Br)ccc2o/c1=N\c1cc(C(F)(F)F)ccc1Cl 20615251 CWZUSRZLJWYFJH-JLPGSUDCSA-N 445.622 5.199 0 40 IKAB Cc1ccc(Cl)cc1N(CC(=O)Nc1c(C)cccc1C)S(=O)(=O)c1ccccc1 22274836 WGLJEWBWKMRMNO-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB COc1ccc(N[C@H](c2ccncc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1 26770936 NBRUDUVEDBEQGO-XMMPIXPASA-N 443.572 6.222 0 40 IKAB O=C(Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21)N1CCCC1 27697728 HXDUAXKDOXWQAK-RUZDIDTESA-N 427.573 5.540 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3ccc(F)cc3c2C)c2c[nH]c3ccccc23)cc1 27989030 NDNRKELFJPAHKD-QFIPXVFZSA-N 442.490 5.932 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2cccc(-c3nc4c(ccc5ccccc54)o3)c2)cc1 32127045 UGAULZVNVWBAMG-UHFFFAOYSA-N 436.511 6.789 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1cc(-c2ccco2)nc2ccccc12 32903358 WWTJRLOUVLHWRR-UHFFFAOYSA-N 432.430 5.512 0 40 IKAB C[C@@]1(O)c2ccccc2[C@]2(O)[C@@H]1[C@H](c1ccccc1)[C@H](c1ccccc1)[C@]2(O)c1ccccc1 35073627 FDVCVRVOUODMNO-WHDGKDTNSA-N 448.562 5.181 0 40 IKAB Cc1ccc(Nc2c(-c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)nc3ncccn23)c(C)c1 35615750 OAHVGQYDPSTHNN-UHFFFAOYSA-N 442.607 7.057 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 35684792 JIDJXNIIJTUKOC-INIZCTEOSA-N 431.279 5.037 0 40 IKAB CCCCNC(=O)c1cccc(-n2ccnc2SCC(=O)c2ccccc2Cl)c1 57486300 RTMPJHZOFBTMOJ-UHFFFAOYSA-N 427.957 5.031 0 40 IKAB Cc1cn(-c2nc(-c3ccccc3)sc2-c2ccccc2)c(=O)nc1Nc1ccccc1 58161104 MFMHWPZRVBAAFV-UHFFFAOYSA-N 436.540 6.075 0 40 IKAB O=C1C[C@@H](c2cn(Cc3ccccc3)c3ccccc23)C(=O)N1c1ccc2ccccc2c1 95483630 AQMRFRIABRCJBE-VWLOTQADSA-N 430.507 5.890 0 40 IKAB COc1cc(/C=C/c2nn3c(-c4oc5ccccc5c4C)nnc3s2)cc(OC)c1OC 96194389 MGMATUWTRKBQME-MDZDMXLPSA-N 448.504 5.104 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1[C@@H]1Nc2ccccc2N=C2CC(C)(C)CC(O)=C21 102879462 ALOQVMRNBVOCJP-QHCPKHFHSA-N 432.955 6.706 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc4c(c3)Cc3ccccc3-4)o2)cc1C 107861233 ARRIVSAFQNVERT-UHFFFAOYSA-N 438.552 6.261 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(C)c1 223220832 PDEGRWKRBAQDSZ-QHCPKHFHSA-N 440.653 5.259 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2C)cc1 224208087 FEBPQMMCYPCNMZ-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB COc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 224238051 QYEIBDREVQOAAB-UHFFFAOYSA-N 434.311 5.051 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCC1 224430112 VHIQZIJEQDASCR-ZEQRLZLVSA-N 434.584 5.931 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccccc1F 224575877 TYJSKDPCOCHPEP-ZEQRLZLVSA-N 444.535 5.197 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1cccc2ccccc12 224631862 ICPOJPRBMDFYIR-UHFFFAOYSA-N 449.909 6.862 0 40 IKAB COC(=O)c1cc2cc(NC(=O)CCc3ncc(-c4ccc(Cl)cc4)o3)ccc2s1 224892442 YLFLIOUOQJPHSU-UHFFFAOYSA-N 440.908 5.568 0 40 IKAB O=C(CSCc1c(F)cccc1Cl)Nc1nnc(SCc2ccccc2)s1 225859086 ARYHIUVQJYABND-UHFFFAOYSA-N 439.990 5.495 0 40 IKAB CCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 408587836 VBQYYIRTVOCEBA-UHFFFAOYSA-N 433.527 5.516 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 408707893 MKYTXHZCDOQTLB-OAQYLSRUSA-N 432.951 5.031 0 40 IKAB Cc1cccc(NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c1 408730042 DPLWHDZJPLHJSU-UHFFFAOYSA-N 428.535 7.372 0 40 IKAB O=C(CSCc1ccc(Cl)cc1)NCCSCc1c(Cl)cccc1Cl 409027517 DXMVAXGNIGVDFC-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cn(C(C)C)c4ccccc34)C2=O)c(C)c1 409176407 MPXPTZLJYJIOHB-WSDLNYQXSA-N 447.560 5.514 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(/C=C3\SC(=O)N(c4ccccc4)C3=O)cc2)c1 409359042 MFECGCIDWAFOEK-JCMHNJIXSA-N 444.512 5.253 0 40 IKAB CCCc1nc(Cc2ccc(F)cc2)c(C(=O)O)cc1-c1ccc(Br)cc1 585265636 VKWQNGLLCUZRHP-UHFFFAOYSA-N 428.301 5.892 0 40 IKAB CCn1cc(-c2nc(-c3ccccc3)cs2)c(=O)c2cc(F)c(N3CCCCCC3)cc21 1775966884 LDSGDSCDRVQFOR-UHFFFAOYSA-N 447.579 6.331 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CN(c1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 903719 ZPBHROOKPNFDBT-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOc1cc(NC(=S)Nc2ccccc2CC)c(OCC)cc1NC(=O)C(C)C 928853 TVRLLQZTKFEJJC-UHFFFAOYSA-N 429.586 5.450 0 40 IKAB CCOc1cc(NC(=S)NCc2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 929363 DIKCMGIXVUYYDJ-UHFFFAOYSA-N 449.576 5.223 0 40 IKAB CCCCCCOC(=O)c1ccc(NC(=O)/C(Br)=C/c2ccccc2)cc1 1809049 YBLDFKRUJNHYPO-SILNSSARSA-N 430.342 5.798 0 40 IKAB Cc1ccc(C(=O)N[C@@H](Nc2ccc(Cl)c(Cl)c2)C(Cl)(Cl)Cl)cc1 2054625 BBRXWDVROGCEFJ-OAHLLOKOSA-N 426.558 5.840 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@@H](c1cccs1)N(C(C)=O)c1ccccc1-2 2094839 YWPMKDSYIZMKEC-FQEVSTJZSA-N 426.567 5.327 0 40 IKAB CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1OC)CCc1ccccc1-3 2248266 WFYLOXRJGRMELK-UHFFFAOYSA-N 448.613 6.114 0 40 IKAB CCCSc1nc2sc3c(c2c(=O)n1-c1ccc(C)cc1)CC[C@H](C(C)(C)C)C3 2270588 ZJUYYCNUDDVVTD-INIZCTEOSA-N 426.651 6.409 0 40 IKAB CC1(C)c2ccccc2N2[C@H](C(=O)Nc3ccccc3)[C@H]3C[C@]21Oc1ccc2ccccc2c13 2274709 PMHSFIULDHIJHK-MVQDXTSDSA-N 446.550 6.221 0 40 IKAB O=C(Oc1c(Cc2ccccc2)c(=O)oc2ccccc12)c1ccccc1Br 2452830 PVAUAXMGPSIQFH-UHFFFAOYSA-N 435.273 5.366 0 40 IKAB CCOc1cc(C(=O)NCc2ccccc2Cl)ccc1OCCOc1ccccc1 2652979 RQQRAQWNRNHYJL-UHFFFAOYSA-N 425.912 5.127 0 40 IKAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)C(=O)Nc1ccccc1-c1ccccc1 2658535 NBBSJQZAWCIKCO-CYBMUJFWSA-N 436.886 6.540 0 40 IKAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)c1 3300127 CZQYTDNBSMBAII-UHFFFAOYSA-N 441.405 5.371 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)C3c4ccccc4Oc4ccccc43)n2)c1 3347297 PKJOYMCOBHRETQ-UHFFFAOYSA-N 444.512 5.704 0 40 IKAB Cc1ccc(-c2nc(NC(=O)/C=C/c3ccc(F)cc3)sc2-c2ccc(C)cc2)cc1 3373944 LGIMAMFMMNKALH-CXUHLZMHSA-N 428.532 6.885 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1C(=O)c1ccccc1 3418259 JFVMPYGFTVPGEM-JOCHJYFZSA-N 441.556 5.303 0 40 IKAB Cc1nc(SCC(=O)NC23CC4CC(CC(C4)C2)C3)c2cc(-c3ccccc3)sc2n1 8433012 TZPVRKXDBJZLAY-UHFFFAOYSA-N 449.645 5.844 0 40 IKAB CCOc1ccc(NC(=O)N(c2ccnc3ccccc23)[C@H](C)CCCN(CC)CC)cc1 8615536 CTWDVVUAIREBKY-OAQYLSRUSA-N 448.611 6.183 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(-c2ccc(Br)cc2)o1 8758927 TUZMIZJRQJOMIA-GFCCVEGCSA-N 442.338 5.652 0 40 IKAB C[C@@H](C(=O)c1ccccc1)[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21 8922918 PKJSCMUCXVTILM-OWJWWREXSA-N 440.326 5.247 0 40 IKAB Cc1ccccc1NC(=O)c1cn(Cc2ccc(F)cc2)nc1OCc1ccc(F)cc1 9101138 ZPDSRRFVAHETQG-UHFFFAOYSA-N 433.458 5.349 0 40 IKAB NC(=O)N[C@@H](CC(=O)Nc1cc(Cl)ccc1F)c1cccc(Oc2ccccc2)c1 9170537 MDSIHSNEYBSNAB-IBGZPJMESA-N 427.863 5.010 0 40 IKAB CC(=O)n1c(S[C@H](C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)nc2ccccc21 9191690 SXSSFMKFAPCKKO-CQSZACIVSA-N 436.562 5.248 0 40 IKAB CCCCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)c1 9193176 VFCPLEWUKWGJPT-XMMPIXPASA-N 440.499 5.425 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3c(C)cc(C)cc3C)nnc2-c2ccccc2)cc1 9309012 XVMCQPVKZJWZDX-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=S)Nc2cccc(Cl)c2C)c1 9391163 LEPRAIBXVWCQRH-JOCHJYFZSA-N 441.984 5.269 0 40 IKAB CCn1c(SCC(=O)c2c(-c3ccccc3)[nH]c3ccccc23)nnc1-c1ccncc1 9464903 LZMPCBSEBNAXKE-UHFFFAOYSA-N 439.544 5.483 0 40 IKAB Cc1ccc(Nc2nc3ccc(C(=O)c4ccccc4)cc3n3c(C)nnc23)c(Cl)c1 9561356 UMMQIUUEVSYGSC-UHFFFAOYSA-N 427.895 5.522 0 40 IKAB COc1ccc(-c2csc(N3N=C(C)C[C@H]3c3cc(OC)c(OC)c(OC)c3)n2)cc1 9575725 OFNFBAQPOXETKG-IBGZPJMESA-N 439.537 5.172 0 40 IKAB CCCC(=O)n1nc(NCc2cccc3ccccc23)nc1NCc1cccc2ccccc12 9948704 XFGSTWVKZJMSBL-UHFFFAOYSA-N 449.558 6.249 0 40 IKAB Cc1ccccc1CSC1=NCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 11757701 DNMUIQPOIYKVKP-UHFFFAOYSA-N 446.416 5.778 0 40 IKAB COc1ccc(/C=C(\CC(=O)O)c2nc3ccccc3s2)cc1OCc1ccccc1 12604014 VSTJYONYTZWUFM-CPNJWEJPSA-N 431.513 5.899 0 40 IKAB CCOc1ccc(CNCC[C@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)cc1OC 12864443 OHZCFVVRZGMNSE-SVBPBHIXSA-N 441.612 5.355 0 40 IKAB biogenic C[C@@H](Oc1ccc(Br)cc1)C(=O)N1CCC(c2nc3ccccc3s2)CC1 12917802 GTAHPJXTWANYGW-CQSZACIVSA-N 445.382 5.232 0 40 IKAB Cc1sc2ncnc(N3CCC(C(=O)Nc4cc(Cl)ccc4Cl)CC3)c2c1C 13006166 BKQMNYLKLPPLFJ-UHFFFAOYSA-N 435.380 5.470 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)N3CCc4ccccc43)nc2c1 13018106 UPXNNWJUIRHAFS-UHFFFAOYSA-N 426.541 5.592 0 40 IKAB CCOc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cc(OCC)c1OCC 13059699 GRPNLHABTDCVLQ-UHFFFAOYSA-N 440.462 5.220 0 40 IKAB COc1cccc(-c2nn(-c3ccc(C)cc3)cc2C(=O)N[C@@H]2CCCc3ccccc32)c1 13071251 JDBKCFNBZDUXSU-AREMUKBSSA-N 437.543 5.664 0 40 IKAB COc1ccccc1NC(=O)c1cc2ccccc2cc1OCC(=O)NC1CCCCCC1 13117689 FWMAEIVPFWOJAC-UHFFFAOYSA-N 446.547 5.319 0 40 IKAB Cc1ccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccccc2)cc1 13498406 QYHYXJRTNOGNCS-VWLOTQADSA-N 432.589 5.432 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3cc(C)ccc3C)n2CC)cc1 13871547 GPGGQIHKKJGGSC-GOSISDBHSA-N 438.597 5.348 0 40 IKAB CC1(C)CC2(CCCCC2)N2C(=O)[C@]3(NCCc4c3[nH]c3ccccc43)c3cccc1c32 14162414 JFCNLEUEUKFFGN-NDEPHWFRSA-N 425.576 5.288 0 40 IKAB CCn1c(-c2ccc(OC)cc2)nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c1=S 14201593 HQSJXJZREZUQLT-HNNXBMFYSA-N 439.610 5.370 0 40 IKAB Cc1ccc(-c2cc(NC(=O)CSc3nc4ccccc4[nH]3)n(-c3ccccc3)n2)cc1 14360192 YGRVQYUNSOXJRV-UHFFFAOYSA-N 439.544 5.455 0 40 IKAB Cn1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)nnc1-c1ccccc1 15277295 SWUUDFZSGURBPG-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)Cc3ccc(Cl)cc3)cc2Cl)CC1 17100043 QIRPJJWSHWXMAR-UHFFFAOYSA-N 436.408 5.285 0 40 IKAB Cc1cc(C(=O)N2CC[C@H](c3nc(Nc4ccccc4)cc(-c4cccnc4)n3)C2)cs1 19571659 KLZSVJVXRDGIEE-IBGZPJMESA-N 441.560 5.282 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc(C2CCN(C(=O)C[C@H]3CCCO3)CC2)n1 19687097 DJIAULNPZMWXHD-JOCHJYFZSA-N 446.513 5.275 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@@H]1CN(Cc2ccnc3ccccc23)CCO1 19696785 UWJOUIUVXBZGRX-QFIPXVFZSA-N 445.588 5.161 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)cc1Cl 20451936 ZCZQHDZFVMRYRV-NRFANRHFSA-N 448.415 6.354 0 40 IKAB CCOc1cc(CNC2CCCC2)cc(Br)c1OCc1ccc(Cl)cc1 22074249 WNKVNWNUJOWDQL-UHFFFAOYSA-N 438.793 6.112 0 40 IKAB CCCN(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@H]1CCCN(c2ccc(C)cc2)C1 22255811 PFPDBTYUOIOCCG-QFIPXVFZSA-N 432.568 5.009 0 40 IKAB CCCc1ccc([C@H](NCc2nnc(C(=O)Nc3ccc(F)cc3)s2)C(C)C)cc1 24767262 ZUSODGZHRNDRPM-OAQYLSRUSA-N 426.561 5.369 0 40 IKAB Cc1sc(NC(=O)CCc2nnc(-c3ccsc3)o2)nc1-c1ccc(Cl)cc1 24986263 FGDJZOGNUTWIIG-UHFFFAOYSA-N 430.942 5.455 0 40 IKAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cc2cc(Oc3ccccc3)ccc2[nH]1 27169011 PHZAOMPKNAFHEN-UHFFFAOYSA-N 434.495 6.792 0 40 IKAB C/C=C/c1ccc(OCCn2c([C@H]3CCCN3C(=O)CC)nc3ccccc32)c(OC)c1 31903361 QDGXZHLXVZKILL-LQPWBEKMSA-N 433.552 5.231 0 40 IKAB CCc1ccccc1NC(=S)Cc1nc(Oc2ccc(Br)cc2)n(CC)n1 32615250 CTUMCKIDHOEAOU-UHFFFAOYSA-N 445.386 5.397 0 40 IKAB CCn1nc(C)c2c(C(=O)N[C@@H](C)c3ccc(C)cc3C)cc(-c3ccc(C)cc3)nc21 36613281 OIWIHZVAMLOJPU-IBGZPJMESA-N 426.564 5.843 0 40 IKAB c1ccc(S[C@H]2CSc3nnc4c5ccccc5nc-4n3[C@H]2c2ccccc2)cc1 36625786 FLYYGIVWJQLZTJ-UNMCSNQZSA-N 426.570 5.787 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CN3CCC[C@H](C)C3)cc2)sc2c1CCCC2 38772341 AEEVFWDZJVUBOJ-KRWDZBQOSA-N 440.609 5.288 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)c1csc(-c2ccsc2)n1 39995447 UURZZHCVRXNNKL-UHFFFAOYSA-N 444.969 5.626 0 40 IKAB O=C1C[C@@H](c2nc3ccccc3n2Cc2c(Cl)cccc2Cl)CN1c1ccccc1 40251207 XYDAYOZOEXNMAH-MRXNPFEDSA-N 436.342 5.912 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 44948171 MHZXABMVXCRARE-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB FC(F)(F)C12CC3(Br)CC(Br)(C1)CC(C(F)(F)F)(C3)C2 57214513 SPOYIONQSAAPNA-UHFFFAOYSA-N 430.024 5.733 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3)cs2)c1Br 57985479 MMBQZOJXYRMHSV-UHFFFAOYSA-N 443.269 5.636 0 40 IKAB Cc1ccc(C(C)(C)C(=O)NC[C@H]2CC[C@H](c3c(C(N)=O)sc4ncccc43)CC2)cc1 100688394 SKECWTDJKPFESE-HDICACEKSA-N 449.620 5.071 0 40 IKAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N(c1ccc(SC(F)F)cc1)c1nc2ccccc2s1 102281006 LJOFLXROIMSYJZ-JYJNAYRXSA-N 444.572 7.102 0 40 IKAB CC(C)COc1ccc(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)cc1 106725627 YKCPBPHVDLTGKP-ODLFYWEKSA-N 446.366 5.720 0 40 IKAB COc1cc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)c(OC)cc1NC(=O)c1ccccc1 199414802 PLPYDWJCDSICGE-UHFFFAOYSA-N 449.894 5.343 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223320679 ILMPNQSFLVTMCX-QFIPXVFZSA-N 449.422 5.603 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1C(C)C 223367709 NLTIXJDTXBSUFV-PZJWPPBQSA-N 443.031 5.870 0 40 IKAB O=C(Nc1ccc2c3c(cccc13)CC2)c1ccc(CSc2ccc(Cl)cc2)cc1 223396155 GDDUUWHSTWDRQZ-UHFFFAOYSA-N 429.972 7.136 0 40 IKAB O=C(NCCOc1ccc2ccccc2c1)C1CCN(Cc2ccc(Cl)cc2F)CC1 223645953 YHTNQRFDWUOONH-UHFFFAOYSA-N 440.946 5.040 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC(c1ccccc1)c1ccccc1 223760188 OAEZUMDTPZPBNB-HXUWFJFHSA-N 448.994 5.415 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224206883 ODZOTXPMMHFHCY-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 224342593 SENYIBDCMFMEDV-JWQCQUIFSA-N 430.621 6.128 0 40 IKAB Fc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)cc1 224410321 BWIIXZSNTGBEJG-FCHUYYIVSA-N 449.942 5.237 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccccc1F 224426000 XOOXGOMCKFKLHD-DNQXCXABSA-N 444.535 5.197 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1 224451601 BUKZSEDQKPXUCM-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 224570607 DKWMKPHRRXQCPW-QHCPKHFHSA-N 440.631 6.195 0 40 IKAB Cn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Oc2ccccc2)cc1 224644079 PJPIUCMIUZWAMK-RPWUZVMVSA-N 426.545 5.390 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2C)[C@H](C)C(=O)NC2CCCCC2)cc1 224699138 MKMPDHRIUWUHAJ-JOCHJYFZSA-N 434.624 5.356 0 40 IKAB O=C(NCc1ccccc1CN1CCCC1)/C(=C/c1ccccc1Cl)c1ccccc1 224758470 BHZQGFDRYQCFDU-XIEYBQDHSA-N 430.979 5.793 0 40 IKAB CCc1ccc(CCC(=O)N(CCc2ccccc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224999346 UEMDXKSZDWNARQ-JOCHJYFZSA-N 434.624 5.090 0 40 IKAB CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225068922 OFZLIMFQGQCPOC-LJQANCHMSA-N 447.044 5.198 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCc1cccc2ccccc12 225377067 NBMOHUFFWSVXMY-LEWJYISDSA-N 446.591 5.113 0 40 IKAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 225450562 GGWDZOLMCCGGKS-AREMUKBSSA-N 430.592 5.149 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)c[nH]1)N1CCC[C@H](Cc2nc(-c3ccccc3F)no2)C1 225539478 SFMYVSQOBPZXJN-MRXNPFEDSA-N 448.473 5.105 0 40 IKAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCCCC1 225550689 PJHBCCNLJBPCFD-UHFFFAOYSA-N 441.015 6.045 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CSCc1cccc(C)c1 225553250 HTVZOKUUQZLKOD-ZJSXRUAMSA-N 440.653 5.259 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C)c(C)c1 225629444 KZHZQPLDYSQJBW-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB Nc1cc(Cl)ccc1NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 226349255 RPNKBMZLCZBUQT-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(F)c2)CC1 257307302 SYCQDXKMGZADKE-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccccc3Cl)c(OC)c2)c1 408577208 RWYNMVYHALTKPJ-UHFFFAOYSA-N 427.953 5.402 0 40 IKAB Cc1cc(Br)ccc1NCc1cn(Cc2cccc(Cl)c2)c2ccccc12 408605952 HTORFFPIRFJDBW-UHFFFAOYSA-N 439.784 7.026 0 40 IKAB Cc1cc(S(=O)(=O)NCc2ccc(Cl)cc2Cl)ccc1NC(=O)c1ccccc1 408611444 WGZSGSSTYFJZRV-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 408638228 BVDKRPIIOYZIFO-AWEZNQCLSA-N 443.728 5.247 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Cl)c3)nc2-c2cccc(Cl)c2)c1 408697839 KCUIOPYBZTZOMK-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2cccc(C)c2C)cc1 408698687 RJISLNNVNXBWSG-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOC(=O)[C@H](C)N1C(=O)S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C1=O 409012694 RIGNCQANVNEMMW-QNKACBJSSA-N 440.304 5.241 0 40 IKAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)cc(Br)c1OC(C)C 409021729 VMKYCNYHAFFCLQ-OQLLNIDSSA-N 428.348 5.080 0 40 IKAB Fc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 409084195 AJSKHRRLJHODFC-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(CC)cc3)c(=O)c2c1C 409116001 LCHWXUZHNYNBQR-UHFFFAOYSA-N 448.657 6.871 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(c4ccc(Cl)cc4)C3=O)o2)cc1 409191888 PQOGCUMFSXONGP-XDHOZWIPSA-N 439.876 5.628 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccccc3)c(Br)c2)cc1 409253778 GONWABSWCBEXJA-UHFFFAOYSA-N 425.326 5.387 0 40 IKAB O=C(c1cccnc1-c1cncs1)N1CCCC[C@H]1c1ncc(Cc2cccc(F)c2)o1 1848353321 BWYUEDCJXRBUQH-FQEVSTJZSA-N 448.523 5.290 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=S)Nc3ccc(OC)cc3)C3CCCCC3)cc2c1 916830 GGQQFUBHZMHAIE-UHFFFAOYSA-N 449.620 5.631 0 40 IKAB CCCc1nc2ccc(NC(=O)Nc3ccccc3)cc2c(=O)n1Cc1cccc(Cl)c1 930695 QKKPTCNQDKSOGI-UHFFFAOYSA-N 446.938 5.695 0 40 IKAB O=C(COC(=O)c1cccs1)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 992958 NRCWTOQUXDXWDF-UHFFFAOYSA-N 435.284 5.314 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3Cl)C3CCCCC3)cc2c1 1327300 JTGQBEKEMRLLHF-UHFFFAOYSA-N 439.943 5.557 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1cccs1)N(C(=O)Cc1cccs1)c1cccc(F)c1 1333717 GUGYJMDFXGYDGA-JOCHJYFZSA-N 442.581 5.325 0 40 IKAB Cc1cc(Oc2coc3cc(OCc4ccc(Cl)cc4)ccc3c2=O)cc(C)c1Cl 1775154 KQEHAEJFEMORBJ-UHFFFAOYSA-N 441.310 7.088 0 40 IKAB COC(=O)c1c(NC(=O)CCCOc2ccc(Cl)cc2Cl)sc2c1CCCC2 1946653 ZXGJEUKTIVCVAJ-UHFFFAOYSA-N 442.364 5.518 0 40 IKAB CCCOC(=O)c1c(-c2cccc3ccccc23)csc1NC(=O)c1ccc(Cl)cc1 2105643 DFMNVUFJXAAQEB-UHFFFAOYSA-N 449.959 7.041 0 40 IKAB COc1ccccc1C(=O)Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1 2360145 YLNXPCFPKBTDFJ-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB CCOc1ccc2nc(SCC(=O)Nc3cc(C(C)(C)C)nn3-c3ccccc3)[nH]c2c1 2637255 RITDIAYMVQJPRC-UHFFFAOYSA-N 449.580 5.176 0 40 IKAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccc(Br)cc1F)c1ccccc1 2643520 NNXZREAMOGOZRJ-UHFFFAOYSA-N 438.293 5.123 0 40 IKAB CSc1ncccc1C(=O)O[C@H](C(=O)Nc1ccc(C)c(Cl)c1)c1ccccc1 3280688 ATQGTWBHEYTWGW-IBGZPJMESA-N 426.925 5.302 0 40 IKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1ccc(-c2ccccc2)cc1 3341146 CCXYVAQJQWKWJL-MUUNZHRXSA-N 431.491 6.616 0 40 IKAB O=[N+]([O-])c1cc([N+](=O)[O-])c([C@@H](Cl)[C@H](Cl)c2ccccc2)cc1C=Cc1ccccc1 4267897 YSMPRUOJLAHKGO-FGZHOGPDSA-N 443.286 6.933 0 40 IKAB biogenic CCc1cccc(C)c1NC(=O)COc1ccc(Br)cc1Br 4283515 NYVNYVNAOKZZNS-UHFFFAOYSA-N 427.136 5.100 0 40 IKAB Cc1c(C(=O)Nc2ccccc2Cl)nnn1-c1ccc2noc(-c3ccccc3)c2c1 8753797 NVCXSFCWPRBAOD-UHFFFAOYSA-N 429.867 5.290 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C(=O)c4ccccc4)CC3)c(Cl)c2)cc1C 8832579 XRZWSNRIHDKYET-UHFFFAOYSA-N 447.966 5.172 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3ncn4nc(COc5cccc6ccccc56)nc4c23)C1 9011774 QHNLVOFNAKBYJD-KRWDZBQOSA-N 442.588 6.222 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1CCc1cccs1 9171523 ZFUBHWQWJUZPEI-UHFFFAOYSA-N 437.590 5.358 0 40 IKAB COCCCNc1nc(SC)nc2c1sc1nc(-c3ccco3)c3c(c12)CCC3 9273836 ZKYVSOLDGOVRNL-UHFFFAOYSA-N 426.567 5.159 0 40 IKAB COc1ccc(CNc2nc3c(-c4cccc(F)c4)nnn3c3ccc(Cl)cc23)cc1 9319427 XIGDXIWSYLIOJE-UHFFFAOYSA-N 433.874 5.358 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCc2ccccc2)cc1 9355435 KDWKBLUSJKJJPS-PMERELPUSA-N 442.562 6.931 0 40 IKAB Cc1ccc(C(=O)NCCn2cc(SCc3ccccc3C)c3ccccc32)cc1C 9391945 MUZATFXZSOCARQ-UHFFFAOYSA-N 428.601 6.289 0 40 IKAB Cc1noc(C)c1COc1ccc(CC(=O)Nc2ncc(Cc3ccccc3)s2)cc1 9464035 HXMVYPCJCRRKMB-UHFFFAOYSA-N 433.533 5.099 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2F)o1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 9464534 JQKGTODLJHFVTC-MNOVXSKESA-N 440.327 5.541 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4cccc(N5CCCC5=O)c4)cc3)o2)cc1 9666741 ZHHVOJIFQXHULQ-UHFFFAOYSA-N 438.487 5.091 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)n1Cc1ccco1)C(=O)Nc1ccc2c(c1)CCC2 9789028 VOXLOEPNIDDLEV-KRWDZBQOSA-N 444.560 5.194 0 40 IKAB O=C(NC1CCCCC1)c1cccc(NC(=O)c2ccccc2OCCc2ccccc2)c1 10280938 JSOFUZSRNKWOEU-UHFFFAOYSA-N 442.559 5.623 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)Nc3cccc(Cl)c3C)c2C)cc1 10314649 JIYBQPXATACISG-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)cc1OC 11866287 IHKPWBJDBQDENH-UHFFFAOYSA-N 443.503 5.003 0 40 IKAB biogenic CC(C)CCc1ccc(N2C(=O)c3cccc4c(N5CCOCC5)ccc(c34)C2=O)cc1 12321028 YQDBSCMTFHDFOF-UHFFFAOYSA-N 428.532 5.066 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 12468696 LWYLQDUXYVGEDA-SXGWCWSVSA-N 430.718 6.719 0 40 IKAB Cc1ccc(C(=O)c2c(NC(=O)c3ccc(Br)cc3)sc(C)c2C)cc1 12484605 HEFWJWSEYDUMKL-UHFFFAOYSA-N 428.351 5.919 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13777309 ORTBOYKLHTYEIZ-ATIYNZHBSA-N 446.934 6.434 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2Cc2ccco2)c1 13805882 CSQLDLYMCIEFIR-UHFFFAOYSA-N 438.940 5.279 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1nnc(SCc2ccccc2F)s1 15324162 NZMMTXMXSWGBAB-UHFFFAOYSA-N 435.549 5.818 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccccc4F)cc3c2C)c1 15729511 SILXFXUVLYXGIT-UHFFFAOYSA-N 433.435 5.381 0 40 IKAB biogenic Cc1ccc(Nc2nc(NCc3ccc(F)cc3)nc3c2cnn3-c2ccccc2)cc1C 17052974 VQQPFIYYQYGEMC-UHFFFAOYSA-N 438.510 5.927 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3)nc2c1 17103158 IRBCCXUPCRJLGR-CQSZACIVSA-N 439.342 7.567 0 40 IKAB CC(C)(NC(=O)N1CCCCCC1)c1cccc(C(C)(C)NC(=O)N2CCCCCC2)c1 19075292 DSQOHTUKFGNOQK-UHFFFAOYSA-N 442.648 5.328 0 40 IKAB COc1cc2c(cc1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c3ccccn3)C1)CCCC2 19081839 NPLWUADKUOXYNA-ATIYNZHBSA-N 449.639 5.085 0 40 IKAB CC(C)c1ccc(-n2nc3ccc(NC(=O)c4ccc(Cl)c(Cl)c4)cc3n2)cc1 20610484 KGZXILYELRGKQR-UHFFFAOYSA-N 425.319 6.103 0 40 IKAB CN(Cc1ccc(Br)cc1)Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 25431165 FZKVFXQLKOBOFS-UHFFFAOYSA-N 426.236 5.150 0 40 IKAB O=c1c(Nc2ccc(Cl)cc2)nnc(SCc2ccc(Cl)cc2)n1-n1cccc1 28534653 BYRHNCUKEFIKRC-UHFFFAOYSA-N 444.347 5.094 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(=O)CSc1ccccc1)CC2 29701142 PBAJSDZCLXJSOX-QHCPKHFHSA-N 425.575 5.032 0 40 IKAB Cc1sc2nc(S[C@H](C)c3nc(-c4ccco4)no3)n(C3CCCC3)c(=O)c2c1C 29739429 CDSZSZBYTSYZOS-CYBMUJFWSA-N 442.566 5.686 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 30855106 SOWVHXJBTODQSB-NRFANRHFSA-N 446.616 5.110 0 40 IKAB Oc1c(Cl)cc(CN(Cc2cc(Cl)c(O)c(Cl)c2)C2CCCCC2)cc1Cl 31628985 LKJZEILBCMUOMY-UHFFFAOYSA-N 449.205 7.046 0 40 IKAB in-vitro Cc1cccc2c(=O)[nH]c(CSc3ncnc4scc(-c5ccc(F)cc5)c34)nc12 32745281 IZNUQCOXDLVIEJ-UHFFFAOYSA-N 434.521 5.335 0 40 IKAB O=C(Cn1ncc(=O)c2ccccc21)Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1 32768254 IMRVYSULRURMOI-UHFFFAOYSA-N 440.286 5.134 0 40 IKAB COc1ccc(NC2=NC(=O)/C(=C/c3ccc(-c4c(Cl)cccc4Cl)o3)S2)cc1 35648078 QIXZDVQRUWVRAU-WQRHYEAKSA-N 445.327 6.344 0 40 IKAB COc1ccc(CNC(=O)c2scc(-c3ccc(F)cc3)c2-n2cccc2)cc1OC 38653845 YLFSJOWWHDTMPH-UHFFFAOYSA-N 436.508 5.292 0 40 IKAB COc1ccc(C2=C(O)C(=O)N(CCc3ccccc3)[C@H]2c2ccc(C(C)C)cc2)cc1 40485581 PYIPZGKWVDJQPF-SANMLTNESA-N 427.544 5.914 0 40 IKAB Clc1cccc(OCCc2cc([C@@H]3CCN(Cc4cccc5ncccc45)C3)n[nH]2)c1 72371725 LCBGXAHYVXGGOB-LJQANCHMSA-N 432.955 5.222 0 40 IKAB COc1cccc(C2=NN(C(=O)C(C)(C)C)[C@H](c3cc4cccc(C)c4nc3Cl)C2)c1 89689012 ZXCBNPXJYJMPGS-NRFANRHFSA-N 435.955 5.929 0 40 IKAB CCc1ccc(-n2c(S[C@H](C)c3nnc(C(F)(F)F)o3)nc3ccccc3c2=O)cc1 95972809 LGUAGMWIMFVMNU-GFCCVEGCSA-N 446.454 5.203 0 40 IKAB c1ccc(CC23N=NC(Cc4ccccc4)([C@H]4c5ccccc5[C@@H]42)[C@H]2c4ccccc4[C@@H]23)cc1 101043409 IQRJNKFXXMODER-MLQGNBROSA-N 438.574 7.191 0 40 IKAB COc1cccc([C@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)C(F)(F)F)c1 102875806 NQGDHBVPLXMRLW-NRFANRHFSA-N 444.453 6.050 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)/C=C/c4ccccc4)[C@@H]3CC[C@@H]2C1 118914947 JBTRSWYBSZRTOK-VJWVUYHESA-N 436.636 6.405 0 40 IKAB CCOC1=CC(=O)O[C@@]2(CC[C@@]3(C)[C@@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@@H](OC(C)=O)CC[C@@H]43)C2)C1 118936516 KBYQUXJAZCAIJT-GVJBCBSNSA-N 444.612 5.567 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(Cl)cc1 223153827 VGEBOAXJOFDOJV-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCc1ccc(OCC(=O)N[C@@H]2CC(CC)(CC)Oc3ccccc32)c(Br)c1 223285645 GBXFXVPNFZWYEW-LJQANCHMSA-N 446.385 5.589 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223313264 WSQHBFLJPYDJCL-NRFANRHFSA-N 449.422 5.566 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1cccs1)C(=O)NCc1ccc(Cl)cc1Cl 223916469 YFGKQDQXIHBZDX-NDENLUEZSA-N 445.371 5.451 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](c3ccccc3C)C(C)C)c2)cc1 223959657 SQVBBLCCEXDMKF-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB Cc1cc(C(=O)Nc2ccc3ccccc3c2)ccc1N(C)S(=O)(=O)c1ccccc1 224189561 JZYAVUQONIPEGS-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1 224331298 OUWDSHOLYULSSO-ZEQRLZLVSA-N 428.561 5.264 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)cc1 224468047 CPUCDZJTPNNFHV-UHFFFAOYSA-N 429.438 6.244 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)cc(C)c2)cc1COc1ccc2ccccc2c1 224640109 GADPLLUCYFSJDX-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1CSc1ccc(C)cc1 224662473 XFPWTZBAXXURKE-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COCC(C)C)c2)cc1 224742545 DJCXVPPZWATGSY-UHFFFAOYSA-N 427.541 5.467 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccc(Cl)cc1 225015278 WBPCJLKMYZRKFA-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225312608 UQWAPSCOSCOGRQ-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB Cc1cccc(CN(C(=O)CC(c2ccccc2)c2ccccc2)[C@@H](C)C(=O)NC(C)C)c1 225510619 NAOPRHHMBYPJJV-QHCPKHFHSA-N 442.603 5.459 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225664295 NINRTMZXLKOOEL-XLGIIRLISA-N 430.633 5.501 0 40 IKAB COc1ccc2cc(S(=O)(=O)N[C@H]3CC4(CCCCC4)Oc4ccccc43)ccc2c1 225823098 YGZAIGFBRDXXSV-QHCPKHFHSA-N 437.561 5.353 0 40 IKAB O=C1CCCN1c1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225865502 RSHUXTVEGRAIMR-UHFFFAOYSA-N 442.028 5.699 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1F 408558008 RJTVTGWAJAMCFN-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB COc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408645649 SOUSOQDRYLCRHI-INIZCTEOSA-N 436.895 5.133 0 40 IKAB COc1cccc(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408645651 SOUSOQDRYLCRHI-MRXNPFEDSA-N 436.895 5.133 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 408696507 AISLPEQEKCGZGK-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc(Cl)c3C)nn2-c2cc(C)ccc2C)c1 408697419 HGBVLCMJRFETJV-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB COc1ccc(OC)c(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)c1 408814927 ZUYGTWUGNMNJQP-JUCCXITFSA-N 437.585 5.758 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408970994 CGRHHWWBXVAKAV-UHFFFAOYSA-N 425.551 7.421 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)N(Cc1ccccc1)Cc1ccccc1 409109882 NFDPPMSJMWSSSV-UHFFFAOYSA-N 430.400 6.456 0 40 IKAB CCN1C(=O)/C(=C\c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)c2ccccc21 409116082 TVUPQZUGBIHATO-NDENLUEZSA-N 438.354 6.788 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 409409710 QHZKGKLAGSCUJH-UHFFFAOYSA-N 436.577 5.699 0 40 IKAB CCc1ccc2c(c1)Cc1cccc(c1)CN(C(=O)Cc1cccc(C)c1)CCOCCO2 643574087 BFVWHUIWIXDMQK-UHFFFAOYSA-N 443.587 5.129 0 40 IKAB O=C(CN1CCCCCC1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2 823171 KDMXHTHJLXFTQX-UHFFFAOYSA-N 434.971 5.397 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccccc1F)N(C(=O)c1ccco1)c1ccccc1Cl 1380114 IXFJVPIAWOLPJO-JOCHJYFZSA-N 440.902 5.519 0 40 IKAB C[C@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1381899 PPWKIAFFMWGZFR-HNNXBMFYSA-N 442.412 5.427 0 40 IKAB COc1cccc2c(NCCCN(CCC(C)C)CCC(C)C)c3c(nc12)CCCC3 1666878 DMLNZZXLHAZBEJ-UHFFFAOYSA-N 425.661 6.318 0 40 IKAB Cc1oc2cc(OC(=O)c3ccccc3)ccc2c(=O)c1-c1ccc(Br)cc1 2107254 YSLZSPNENUIPQO-UHFFFAOYSA-N 435.273 5.750 0 40 IKAB biogenic O=C(CSc1nc2sc(-c3ccccc3)cc2c(=O)n1-c1ccccc1)c1ccc[nH]1 2622891 WGADOMJGVPQULM-UHFFFAOYSA-N 443.553 5.417 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2)s1)C(=O)Nc1cc(Cl)ccc1Cl 2646321 VWGSDLAUUNBORX-SNVBAGLBSA-N 425.366 5.708 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c(OC)c1 2648567 FSIVFAOCZBIDKS-UHFFFAOYSA-N 444.409 5.227 0 40 IKAB O=C(OCc1ccc(Br)cc1)c1ccc(COCC(F)(F)C(F)F)cc1 2766801 WNSIEQAEQMCPLQ-UHFFFAOYSA-N 435.211 5.223 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@H](C)Oc1ccccc1 2768637 KLTCXBHORMSMLP-CQSZACIVSA-N 429.925 5.651 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccccc1Cl 2798909 FXVANQJKWZEPGB-LBPRGKRZSA-N 437.874 5.935 0 40 IKAB O=C(c1ccccc1)[C@@H](OC(=O)[C@@H](Sc1ccccc1)c1ccccc1)c1ccccc1 3270327 KKPCIKRRAOTZGB-SVBPBHIXSA-N 438.548 6.687 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)Nc1nnc(SCc2c(Cl)cccc2Cl)s1 3373543 HSDHSWFVVYCLFK-UHFFFAOYSA-N 449.388 5.800 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(SCc4ccc(F)cc4)ncnc32)cc1 3658742 NJJJDEOCIGIJMH-UHFFFAOYSA-N 441.531 6.528 0 40 IKAB O=C1OC(c2ccccc2)=N/C1=C/c1c(OCc2ccccc2Cl)ccc2ccccc12 3659532 AOUDVVZZVHQORK-LFVJCYFKSA-N 439.898 6.417 0 40 IKAB CC1(C)CC[C@]2(CO)CC=C3[C@@](C)(CC[C@H]4[C@@]3(C)CC[C@H]3C(C)(C)[C@@H](O)CC[C@@]34C)[C@@H]2C1 5424862 RJAKLUPHSBOQNU-GCHNNGBASA-N 442.728 7.141 0 40 IKAB biogenic CCCCN(CCCC)Cc1ccc(N[C@H](C(=O)c2ccccc2)c2ccccc2)cc1 5837850 KNPOFJDSJYNYMD-NDEPHWFRSA-N 428.620 7.125 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(c24)N[C@@H](c2ccccc2)NC5=O)CCCC3)cc1 8386912 YJKDTGSDHMIVRO-XMMPIXPASA-N 441.556 5.705 0 40 IKAB Cc1csc2nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n12 8603727 LEGQCQCEEVXAQW-UHFFFAOYSA-N 447.560 5.193 0 40 IKAB CCOc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1 8922630 MVEHPHNDXUSVNY-SANMLTNESA-N 449.934 5.055 0 40 IKAB COc1cc(Br)cc2c1Oc1nc(-c3ccc(C(C)C)cc3)[nH]c(=O)c1C2 9290441 RMTJWGHSJPUJBO-UHFFFAOYSA-N 427.298 5.028 0 40 IKAB Cc1cc(C)c2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3ccccn3)sc2c1 9347817 GIZZDNCPAWHBHM-NRFANRHFSA-N 439.496 5.164 0 40 IKAB O=C(Oc1ccc(-c2ccccc2)cc1)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)c1 9371832 VAYQBXMHMLTKPN-YQXZIBMNSA-N 437.495 5.108 0 40 IKAB O=C(CSc1nc(-c2ccccc2Cl)ns1)Nc1ccc(Br)cc1 9404027 POOLQMOAVYKMGV-UHFFFAOYSA-N 440.775 5.352 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1C1CCCC1 9752381 HWVQJNHCHPHBIB-UHFFFAOYSA-N 433.533 5.297 0 40 IKAB O=C(c1cc(C2CC2)nn1-c1ccccc1)N(C[C@@H]1CCCO1)c1nc2ccccc2s1 9822890 LQSAMNNEXXHOBP-IBGZPJMESA-N 444.560 5.185 0 40 IKAB COc1ccc([C@@H]2CCCN2Cc2nc(-c3cccc(C(F)(F)F)c3)no2)c(OC)c1 9976345 YSLBVEOVWRKJMJ-SFHVURJKSA-N 433.430 5.110 0 40 IKAB CC[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(OC)cc1 11237938 MLFLPZYMHRCTKE-DEOSSOPVSA-N 440.543 6.217 0 40 IKAB O=C(c1cccc(F)c1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1 11667169 IVPRIZSBSVPTRL-UHFFFAOYSA-N 447.579 5.992 0 40 IKAB O=C(Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)c1cc(F)c(F)cc1Cl 12375349 RTKAWASQIVPTAK-UHFFFAOYSA-N 444.909 5.569 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(=O)COc2cccc3ccccc23)cc1 12623577 MDNCPAREZZJWRZ-AREMUKBSSA-N 436.511 5.605 0 40 IKAB COc1ccc(CNC(=O)[C@@H](C)Sc2nnc(Nc3cccc(Cl)c3C)s2)cc1 12780888 SYKGMYCATZFXMT-CYBMUJFWSA-N 449.001 5.049 0 40 IKAB FC(F)(F)c1cc(-c2ccccc2)nc2c(Cl)c(-c3ccc(Cl)c(Cl)c3)nn12 12960529 YDNKMVFSGBSDJF-UHFFFAOYSA-N 442.655 7.042 0 40 IKAB Clc1ccc(-c2nnc(CSc3nc(-c4ccccc4Br)n[nH]3)o2)cc1 13163641 PMOQNPVAAZFQRX-UHFFFAOYSA-N 448.733 5.230 0 40 IKAB Fc1ccc([C@@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccccc2)cc1 13712947 NDKVNSJUHRMKDC-PKTZIBPZSA-N 430.870 5.283 0 40 IKAB C/C=C(\C)c1c(Cl)c(O)c(C)c2c1Oc1c(Cl)c(O)c(Cl)c(C)c1C(=O)O2 14613589 XEQDVQKKHOQZEP-AATRIKPKSA-N 429.683 6.423 0 40 IKAB biogenic S=C(c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1)N1CCCC1 15230811 AWSWLRWYZJGKJQ-UHFFFAOYSA-N 445.209 6.106 0 40 IKAB CC(=O)Nc1ccc([C@@H]2CC(c3ccc(C4CCCCC4)cc3)=NN2c2ccccc2)cc1 16321185 MRINSJAVAPGYGP-LJAQVGFWSA-N 437.587 7.048 0 40 IKAB CCC(=O)N1N=C(c2ccc(F)cc2)Sc2c1nc(C1CCCCC1)n2C(=O)CC 16777913 XAJSRRQGSWLTMC-UHFFFAOYSA-N 428.533 5.331 0 40 IKAB ClC1(Cl)C(Cl)(Cl)[C@]2(c3ccccc3)O[C@@]1(c1ccccc1)c1ccccc12 16952852 DCBAITJOIHSJDW-BGYRXZFFSA-N 436.165 6.565 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(Cl)c(-c3nc4ncccc4o3)c2)ccc1Cl 17095693 UKBLREKAIZWFBP-UHFFFAOYSA-N 428.275 5.523 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 17098643 RXZZQXGJNIGWRY-UHFFFAOYSA-N 433.758 5.691 0 40 IKAB O=C(c1ccc(Cl)cc1Cl)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 18079033 FXCGBIURGSVELM-UHFFFAOYSA-N 438.664 5.023 0 40 IKAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1COC(=O)Nc1cccc(Cl)c1 19075425 UFTJFLSELQWJDC-UHFFFAOYSA-N 430.291 6.386 0 40 IKAB CCOCc1cc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)ccc1OC 19531117 ZYGULOARAOQQOT-UHFFFAOYSA-N 445.510 5.394 0 40 IKAB CCN(CC)[C@H]1C[C@@H](c2ccc(NC(=O)c3cnn(C(C)C)c3)cc2)O[C@@H](C(C)C)C1 19711875 MEJDMUYTBCVFSZ-SMIHKQSGSA-N 426.605 5.303 0 40 IKAB Clc1ccccc1-c1nnc([C@H](c2ccccc2)N2CCN(C3CCCCC3)CC2)o1 20509637 JGGSAHQQBXHQDS-QHCPKHFHSA-N 436.987 5.430 0 40 IKAB CC1(C)COc2c(-c3ccccc3)nc3sc4c(NC5CCCCC5)ncnc4c3c2C1 21147154 LZWXBCWUCLWLIB-UHFFFAOYSA-N 444.604 6.612 0 40 IKAB Cc1ccc(-c2cc(C(=O)Nc3c(C(=O)c4ccc(F)cc4)oc4ccccc34)no2)cc1 21149550 WBUJLRMTASEZRN-UHFFFAOYSA-N 440.430 6.019 0 40 IKAB CCOc1ccc(CCNc2ncccc2C(=O)Nc2ccc(Cl)cc2)cc1OCC 22072274 PFTSMXHDGDKNOE-UHFFFAOYSA-N 439.943 5.439 0 40 IKAB CCOc1cc(CNC(C)(C)CC(C)(C)C)cc(Cl)c1OCc1ccccc1Cl 22076281 FHARAXIHASHVPN-UHFFFAOYSA-N 438.439 7.276 0 40 IKAB CC(C)c1ccc(S(=O)(=O)N(Cc2nc(-c3ccc(Cl)cc3)no2)C(C)(C)C)cc1 22256998 NJJJXFOLVLAOOK-UHFFFAOYSA-N 447.988 5.503 0 40 IKAB Fc1ccc(C(c2ccc(F)cc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1 22454905 UDRUWZYJFWYYQS-UHFFFAOYSA-N 445.557 5.786 0 40 IKAB CCc1ccc(N(C)S(=O)(=O)c2ccsc2C(=O)Nc2ccc(C(C)C)cc2)cc1 23125763 KSCMWKJYIOKNQA-UHFFFAOYSA-N 442.606 5.511 0 40 IKAB CN(Cc1ccccc1Br)C(=O)c1cc(-c2ccncc2)nc2ccccc12 23572454 PRGVRIWJTKEYFJ-UHFFFAOYSA-N 432.321 5.332 0 40 IKAB CCCc1nc(CSc2nnc([C@@H](C)N3CCCCC3)n2-c2ccc(F)cc2)cs1 25058786 QZRUQNWLUMCIJQ-MRXNPFEDSA-N 445.633 5.655 0 40 IKAB CC(=O)N(c1nc(CSc2nnc(Cc3ccccc3)o2)cs1)c1ccccc1F 25228117 ZMNGLCBCWFYNSP-UHFFFAOYSA-N 440.525 5.233 0 40 IKAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)cc1 27792702 MILGHNDTLASZQU-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccc(F)cc2)o1)N1CCN(c2ccccc2F)CC1 29513508 UMQQMYHFORVOHQ-UHFFFAOYSA-N 445.469 5.249 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3cccc(F)c3)cc2s1)Nc1ccccc1 33000424 BVPMMLBQXNOARY-UHFFFAOYSA-N 437.521 5.419 0 40 IKAB CC[C@H](C(=O)Nc1ccc(C)c(OCc2cc(=O)n3ccc(C)cc3n2)c1)c1ccccc1 33068074 LADXNOQVEVBRKO-QHCPKHFHSA-N 441.531 5.023 0 40 IKAB CC(C)c1ccc(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)cc1 33089201 HFXSCLYESRBCMA-CYBMUJFWSA-N 425.326 5.257 0 40 IKAB N=C1NC(=O)/C(=C\c2cc(Br)ccc2OCc2cccc3ccccc23)S1 33413578 OWFHWVNHWFSGCW-YBFXNURJSA-N 439.334 5.320 0 40 IKAB COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(-c4cccc(Cl)c4)o3)C2=O)o1 33560793 CDWMLCKOKHTONL-VCHYOVAHSA-N 443.864 5.216 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](Cc3ccccc3)CCC[C@@H]2[C@H]1c1ccccc1 35132272 OXLKVVAPTOWHKX-PMWMKWCKSA-N 443.978 6.944 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(Nc1ccccc1)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C 35938067 CFNNBDMQWZZTNH-IZIOJZLUSA-N 449.616 8.161 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352255 UHWXIHJLBMOMJH-BVAGGSTKSA-N 446.572 6.058 0 40 IKAB CC[C@H](NC(=O)C1CCN(C(=O)/C=C/c2ccccc2)CC1)C12CC3CC(CC(C3)C1)C2 36747873 ALFQBIROTOVSQJ-YYBXWABVSA-N 434.624 5.050 0 40 IKAB Clc1ccc(-c2n[nH]c3ccc(Nc4cc(-c5ccccc5)ncn4)cc23)cc1Cl 41181219 HBOZTMQLEHCBEI-UHFFFAOYSA-N 432.314 6.737 0 40 IKAB COc1ccc([C@@H](CC(C)C)NC(=O)c2ccc(CN3CCc4ccccc43)cc2)cc1 44838809 NKBZQXGUNNXWOK-AREMUKBSSA-N 428.576 5.775 0 40 IKAB COc1ccc(S[C@H](C)C(=O)NCCSCc2c(F)cccc2Cl)cc1OC 44900148 FRTHPRRZUQYHSL-CYBMUJFWSA-N 443.993 5.027 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)N[C@](C)(c4ccc5ccccc5c4)C3=O)co2)c(C)c1 48362277 HSMYYMIKKQMHNZ-AREMUKBSSA-N 425.488 5.079 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3cccc4ccccc34)cs2)c1Br 48363167 RUAVCCXLLXGNDI-UHFFFAOYSA-N 427.323 6.188 0 40 IKAB C[C@@H](NC(=O)c1c[nH]cc1-c1cnn(-c2ccccc2)c1)c1ccc(Cl)cc1Cl 58031990 CLIIADXZFLHZJQ-CQSZACIVSA-N 425.319 5.665 0 40 IKAB O=C(Oc1ccccc1Cl)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccncc1 58091694 ZBSRKGQWXASVAD-UHFFFAOYSA-N 440.890 5.414 0 40 IKAB C[C@H](NC(=O)CNC(c1cccs1)c1cccs1)c1ccc(Br)cc1 72308149 HSVWUCVZJVWMIG-ZDUSSCGKSA-N 435.412 5.129 0 40 IKAB Cc1cccc(Nc2ccc([C@@H]3CCCN3C(=O)CCc3nc4ccccc4s3)nc2)n1 72353088 DRFDSKJBFLCRDC-NRFANRHFSA-N 443.576 5.435 0 40 IKAB CNC(=O)c1sc2ccccc2c1C[C@H]1CCCN1C(=O)c1ccc2nc(C)sc2c1 72370265 IEOOVOAHXUPUJV-MRXNPFEDSA-N 449.601 5.026 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3n2C)n1 72372592 JBOZQBTXFBJQPH-NRFANRHFSA-N 449.555 5.507 0 40 IKAB Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)CSc4ccncc4)C3)c(-c3ccncc3)c2c1 72396627 GPGLHZRJYYDJEL-HXUWFJFHSA-N 442.588 5.432 0 40 IKAB CCc1nc2ccccc2n1C1CCN(C(=O)c2ccc(COc3ccccc3F)o2)CC1 95459091 UWUIUGVCZHIFBV-UHFFFAOYSA-N 447.510 5.387 0 40 IKAB COc1ccccc1[C@H]1C=C(c2ccc(F)cc2)Nc2nc(-c3ccc(Cl)cc3)nn21 100817204 BFMIZRKVKNDFSX-OAQYLSRUSA-N 432.886 5.802 0 40 IKAB CCOc1c(Br)cc(C(=O)Nc2ccc(F)cc2)cc1OCc1ccccc1 107543130 XQYBWLUKVZVUKJ-UHFFFAOYSA-N 444.300 5.818 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3[C@H](CC[C@@]21C)[C@@]1(C)CCCC[C@@H]1C[C@]3(Cl)N=O 118925659 YWKIAPGRTFZIHG-KGIXCLFGSA-N 436.124 8.809 0 40 IKAB CC[C@@H](C(=O)Nc1ccccc1C(C)C)N(c1ccc(Cl)c(Cl)c1)S(C)(=O)=O 220703830 GPNUYPBHNYVJOL-IBGZPJMESA-N 443.396 5.300 0 40 IKAB CCOc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCCC3)o2)cc1 223114964 YZGGWNPABONPDG-LOSJGSFVSA-N 447.604 6.046 0 40 IKAB CC[C@@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 223134459 CGFGEIPAVXDILQ-QFIPXVFZSA-N 429.004 5.124 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](c3ccccc3C)C(C)C)c2)cc1 224027088 KYYUMRFYNULTCR-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB Cc1cccc(CN(C(=O)CCSc2ccc(Cl)cc2)[C@@H](C)C(=O)NCC(C)C)c1 224145782 JCCXJAGULGTDHC-IBGZPJMESA-N 447.044 5.320 0 40 IKAB Cc1ccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NCC(C)C)cc1 224177014 NLVIJGQOSBTAHX-IBGZPJMESA-N 447.044 5.071 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1N(C)S(=O)(=O)c1ccccc1 224190307 YRPNGXCZTQQPOG-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCSc1ccc(Cl)cc1 224221411 OKUBWZDBYDADJO-JOCHJYFZSA-N 447.044 5.464 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)C2CCN(Cc3c(F)cccc3Cl)CC2)cc1 224550152 OTOKUMSMOCSLFQ-UHFFFAOYSA-N 446.994 5.184 0 40 IKAB CCOC(=O)C1CCN(C(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)CC1 224963285 RVNDURUWNADPME-UHFFFAOYSA-N 438.911 5.077 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225040410 PWSGRMKJIDNLGN-NHCUHLMSSA-N 438.612 5.003 0 40 IKAB Cc1cc(Br)cc(C)c1NC(=S)N[C@H](CC(=O)O)c1cccc(Cl)c1 225224129 GHFMHOOYAZMABQ-OAHLLOKOSA-N 441.778 5.222 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccccc3F)CCCC2)ccc1O[C@H](C)CC 225681714 NNTWKFZOIKULTC-QGZVFWFLSA-N 427.516 5.630 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN(C(=O)c3cccc4ncccc34)C2)n1 257224804 FDKIUIDBZXCTAQ-HXUWFJFHSA-N 425.507 5.764 0 40 IKAB O=C(N1[C@H]2CC[C@H]1CC(Cc1cncc3ccccc13)C2)C1(c2ccccc2)CCOCC1 257273369 NGGMCKLJYUEIEE-UIOOFZCWSA-N 440.587 5.295 0 40 IKAB Cc1ccc([C@@H](C)C(=O)NC[C@H]2CC[C@H](c3nc(C)ncc3-c3ccncc3)CC2)cc1 257285636 PIBVMDRIXJEHFY-ZILOHOTNSA-N 428.580 5.349 0 40 IKAB CCOc1ccc(Cc2ccc([C@H]3CCCN(C(=O)Cc4ccc(F)cc4)C3)nc2)cc1 257331980 XVETZLRSMTZISB-QHCPKHFHSA-N 432.539 5.159 0 40 IKAB CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3[C@H](CC[C@]12C)[C@]1(C)CCCC[C@@H]1C[C@]3(Cl)N=O 257350638 YWKIAPGRTFZIHG-QVCFGDLGSA-N 436.124 8.809 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(F)(F)F 408575615 NOPDIZVUEJYASP-UHFFFAOYSA-N 428.690 6.538 0 40 IKAB CCOc1cc(C(=S)NCc2ccccc2C)ccc1OCc1ccccc1Cl 408578522 YJAWRZHSTTXQCT-UHFFFAOYSA-N 425.981 6.091 0 40 IKAB Clc1ccc(NCc2ccc(OCc3ccccc3Cl)c(Cl)c2)c(Cl)c1 408612424 VWOHAGZGNDGXNV-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccccc3)nn2-c2ccc(C)c(Cl)c2)cc1 408696690 DORNZFNIFCQVJR-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(C)cc2)cc1 408697435 HLTVVYGKRSUTQB-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)c(C)c2)cc1 408697441 JFFCYCFHYBSUJJ-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2ccc(F)cc2)cc1C 408699209 SFWJELOYOHDKRT-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(NC(=O)c2ccc([C@@H]3SCC(=O)N3Cc3ccc(Cl)cc3)cc2)c1 408703748 GSHUFBCTYVGEBV-DEOSSOPVSA-N 436.964 5.675 0 40 IKAB O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1cc(Cl)cc(Cl)c1 408704505 OPYUXXALSYOVSI-UHFFFAOYSA-N 435.332 5.074 0 40 IKAB CCOc1ccc(C2=N/C(=C\c3ccc(OC(=O)c4cccc(Cl)c4)cc3)C(=O)O2)cc1 409008809 IZMWVBGSVANVND-HMAPJEAMSA-N 447.874 5.302 0 40 IKAB CCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(Cl)cc3)c(Cl)c2)C1=O 409094886 GNYSBDCMHMQFIH-CXUHLZMHSA-N 442.751 6.282 0 40 IKAB O=C(Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1Br)c1ccc(F)cc1 585655883 MBVBBORLYVZUFL-UHFFFAOYSA-N 428.345 6.308 0 40 IKAB C[C@H](NC(=O)CN1CCO[C@H](c2ccccc2C(F)(F)F)C1)c1ccc2ccccc2c1 1615055618 JXHSIVCRHOHQNP-SBUREZEXSA-N 442.481 5.109 0 40 IKAB Cc1c(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(F)cc4)o3)C2)[nH]c2ccc(F)cc12 2037846217 MXCJAGJFFMXLON-KRWDZBQOSA-N 435.474 5.353 0 40 IKAB O=S(=O)(Nc1ccc(-c2cn3ccsc3n2)cc1)c1ccc(-c2ccccc2)cc1 629268 GUAYVWGQCZXZQX-UHFFFAOYSA-N 431.542 5.531 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2ccccc2F)c1C 647559 HKYQWLHECNXEER-UHFFFAOYSA-N 440.496 5.185 0 40 IKAB CCc1ccc(NC(=O)c2cc3nc(-c4ccc(Cl)cc4)cc(C(F)(F)F)n3n2)cc1 848719 KVYAUZLHOHVAEB-UHFFFAOYSA-N 444.844 5.883 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(F)cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871499 ACFPHVRNJUAURS-UHFFFAOYSA-N 440.496 5.104 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=O)Nc3ccccc3F)cc2c1 1353209 UWQQJZFZTBTGKI-UHFFFAOYSA-N 433.458 5.349 0 40 IKAB O=S(=O)(Nc1ccccc1)c1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1 1382326 BIDHLDZOWYWTMV-UHFFFAOYSA-N 428.819 5.347 0 40 IKAB CCCCCOc1ccc(/C=C/C(=O)Oc2ccc(-c3ccc(C)cc3)cc2)cc1OC 1771347 YQQGDFTYJQIVCI-VCHYOVAHSA-N 430.544 6.858 0 40 IKAB Cc1ccc(-c2csc3ncn([C@H](C)C(=O)OCc4ccccc4Cl)c(=O)c23)cc1 1778438 RIDCLXOZBWYZGL-OAHLLOKOSA-N 438.936 5.391 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](c2ccccc2)C2CCCCC2)sc2c1CCCC2 2067420 RXOUXWGJDQGTGR-OAQYLSRUSA-N 425.594 6.106 0 40 IKAB Cc1c(-c2ccc(Cl)cc2)nc2ccccc2c1C(=O)Nc1cc(Cl)cc(Cl)c1 2083782 QKBXXWORCREGAK-UHFFFAOYSA-N 441.745 7.423 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3csc(C)n3)coc2cc1OCC(=O)OCC 2226677 VWXGWEOONJWDLF-UHFFFAOYSA-N 429.538 5.290 0 40 IKAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C)c1-c1ccc2cc(OC)ccc2c1 2247535 JGTWUPUEIAKMFB-UHFFFAOYSA-N 425.550 6.047 0 40 IKAB COc1ccc(OCCCCCn2c(-c3ccc(OC)cc3)nc3ccccc3c2=O)cc1 2405889 LOYNOIJCJBRKFB-UHFFFAOYSA-N 444.531 5.330 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)o2)sc2c1CCCC2 2708439 NKVMKUCIYYESTK-UHFFFAOYSA-N 427.547 5.551 0 40 IKAB c1ccc(-c2cc(-c3ccccc3)n(-c3ccc(-c4nnc(-c5ccccc5)o4)cc3)n2)cc1 3178350 MRZRACNZFUKHNS-UHFFFAOYSA-N 440.506 6.923 0 40 IKAB Brc1ccccc1-c1nnc(CSc2nnc3sc4ccccc4n23)o1 3495624 SDPCBEFDYAUNKL-UHFFFAOYSA-N 444.339 5.049 0 40 IKAB aggregator Cc1ccc(-c2csc(NC(=O)c3cccc(OCCC(C)C)c3)n2)c2ccccc12 3767970 POLHXSAVFSXGNY-UHFFFAOYSA-N 430.573 6.949 0 40 IKAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)C1=CCC(C(=O)O[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)=CC1 3846375 GSMGNZCKZIUPCV-YGWWIXQMSA-N 444.656 6.641 0 40 IKAB biogenic Cc1nn(C)c(Cl)c1/C=C/c1nc(-c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 4284920 FVDQLEVRBUKBCF-ONEGZZNKSA-N 436.743 5.640 0 40 IKAB COc1ccc(OC)c([C@@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)c1 4767877 KCMUBKOXTWNKLM-XMMPIXPASA-N 447.535 5.218 0 40 IKAB COc1ccccc1[C@]1(CCN(Cc2ccccc2F)C(C)=O)CCO[C@@H](C(C)C)C1 5033395 BDEBULATKWBYRH-CLJLJLNGSA-N 427.560 5.346 0 40 IKAB Cc1cc(OCc2c(C)cc(C(C)(C)C)cc2C)c2c(-c3ccccc3)cc(=O)oc2c1 5546825 TXCSDUCSKDGKMF-UHFFFAOYSA-N 426.556 7.262 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1 6821441 YKEWWKPTTWZMRI-CRFBAAHOSA-N 432.446 5.902 0 40 IKAB CO[C@H]1CC[C@@H]2[C@](C)(CC[C@@H]3[C@]2(C)CC[C@@]2(C)[C@H]4CC(C)(C)CC[C@]4(C)CC[C@]32C)[C@@H]1C 8242098 XRJBEZUZIKBOEI-BYTUJTCYSA-N 442.772 8.903 0 40 IKAB Cc1c(C(=O)Nc2nccs2)sc2nc(-c3cccs3)cc(C(F)(F)F)c12 8673003 QLWSKXWZAOJUAP-UHFFFAOYSA-N 425.482 6.061 0 40 IKAB aggregator CCOc1cc(-c2ccc(OC)cc2)c/c(=N\c2ccc3c(c2)OCO3)c2c(C)oc(C)c12 8761970 IWDMAOYMPVSLOW-XAYXJRQQSA-N 443.499 6.085 0 40 IKAB biogenic CC(C)Oc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1 9062691 UHMRNJKWLQUGCR-UHFFFAOYSA-N 429.004 5.088 0 40 IKAB O=c1[nH]c(-c2cc(Cl)ccc2OCc2ccc(F)cc2)nc2sc3c(c12)CCCC3 9136948 XZLLBYGYOHODHI-UHFFFAOYSA-N 440.927 5.902 0 40 IKAB c1ccc(-c2nnc(Cn3c(COc4ccc5ccccc5c4)nc4ccccc43)o2)cc1 9285107 ZDWFZKJFJAPTTN-UHFFFAOYSA-N 432.483 5.867 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1Cc1ccco1)Nc1cccc2ccccc12 9307241 XLKLOPCIGVIAFR-UHFFFAOYSA-N 440.528 5.470 0 40 IKAB CCOc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(F)cc2)cc1 9374280 KYPYZIUXAPIWOD-VWLOTQADSA-N 427.479 5.673 0 40 IKAB Cc1c(C)n(-c2ccccc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 9410954 RGTTZKCPACKALY-UHFFFAOYSA-N 426.505 5.119 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)CSCC(=O)N3C[C@H](C)C[C@@H](C)C3)n2)cc1 9412474 VCWBSSYKXCDGFV-IAGOWNOFSA-N 445.654 5.110 0 40 IKAB COc1ccc([C@@H]2CC(c3cccs3)=NN2C(=O)CSc2ccc(Cl)cc2)cc1 9444034 DHBLXJGGVBKVMC-FQEVSTJZSA-N 442.993 5.880 0 40 IKAB O=C(c1cn(-c2ccccc2)nc1-c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 9483543 WECLSBCJWWPWQZ-UHFFFAOYSA-N 442.950 5.155 0 40 IKAB CSc1ncc(Cl)c(C(=O)Nc2nc3ccc(Oc4ccccc4)cc3s2)n1 9515023 SYRNOPWAMLYDCS-UHFFFAOYSA-N 428.926 5.506 0 40 IKAB Cc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)Cc2cccc3ccccc23)cc1C 9518410 XNEJGGLIMMJUME-UHFFFAOYSA-N 448.522 6.636 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccc(Oc2ccccc2)c1 9546533 IVWRBEYZLGSBLA-XMMPIXPASA-N 425.488 5.681 0 40 IKAB O=C(O)CCCC(=O)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccc(Cl)cc1 9781748 RIQXDNSFOQVJSU-SFHVURJKSA-N 449.732 5.035 0 40 IKAB O=C(Nc1ccccc1)N1CCC[C@@H](C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)C1 9872471 SVYSJXCLLMLUFF-WIYYLYMNSA-N 448.592 5.294 0 40 IKAB O=C(COc1ccccc1Cl)Nc1cccc(NC(=O)COc2ccccc2Cl)c1 10060068 RXHXBNCQAOHZON-UHFFFAOYSA-N 445.302 5.028 0 40 IKAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C3CCCC3)c2NC(=O)c2ccncc2)cc1 12407813 BRUNEZJPBMLEBN-UHFFFAOYSA-N 437.565 5.009 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c(C)c1 12493842 VGQQLXINJAVCIU-UHFFFAOYSA-N 448.636 6.030 0 40 IKAB Cc1ccc(-n2nc(C)c(NC(=O)COc3cccc(Oc4ccccn4)c3)c2C)cc1 12527269 PIJMOGPUFBTHNY-UHFFFAOYSA-N 428.492 5.002 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 13116953 AWYFKUGPMHUVPQ-QHCPKHFHSA-N 437.465 5.699 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(F)cc3)n2[C@H]2CCCC[C@H]2C)cc1 13138039 RQPRFKUNZKSXGL-IERDGZPVSA-N 439.556 5.819 0 40 IKAB CC[C@H](C)c1ccccc1OCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631031 IGPJSVIATVPKGQ-FQEVSTJZSA-N 430.548 5.789 0 40 IKAB COc1cccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4Cl)=NN32)c1 13778938 NGWJHFYUNHTFHH-FYYLOGMGSA-N 425.315 6.244 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)N(CCc1cccs1)Cc1cccs1 14068507 KLAAYGGAAUGNKV-UHFFFAOYSA-N 435.618 5.426 0 40 IKAB C[C@H](NC(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1)c1ccc(F)cc1F 14419937 NEYUZGKGZRHQBN-KRWDZBQOSA-N 432.470 6.097 0 40 IKAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1Cl)c1ccc(OC[C@H]2CCCO2)cc1 14673216 QCGPMAGPJREPHZ-LJQANCHMSA-N 446.334 5.048 0 40 IKAB O=C(c1ccccc1)N1CCC(NC(=S)Nc2ccc(Oc3ccccc3)cc2)CC1 16705140 NTTUPUVOGAPJHR-UHFFFAOYSA-N 431.561 5.070 0 40 IKAB O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1C[C@@H]1c1ccccc1 17098178 XKNUGCDRQZPWHO-VEYUFSJPSA-N 432.608 5.167 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1C 18204322 JTNIFZSWZPIHRK-ZLNRFVROSA-N 432.907 5.008 0 40 IKAB CC(C)(C)c1cc([C@H](c2ccc3c(c2)OCO3)N2CCOCC2)cc(C(C)(C)C)c1O 19618433 MAHGPLUSDJLYCO-QHCPKHFHSA-N 425.569 5.138 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)c4c(F)c(F)c(F)c(F)c4F)cc3)nc2c1 19644380 JOAQNXZMWSNTNV-UHFFFAOYSA-N 446.375 6.566 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCSCc1c(Cl)cccc1Cl 20107062 FHUOIFQROKHWSD-LJQANCHMSA-N 426.409 5.817 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(C(F)(F)F)ccc3Cl)no2)cc1OC 20137534 JHCFVHOGBLSXAI-UHFFFAOYSA-N 426.778 5.283 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 20241891 SLVTXFAZAHXRGO-UHFFFAOYSA-N 426.604 6.517 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1)c1ccccc1 20483027 ZKHMRXSEQKOGJS-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB O=C(CSCc1nc(-c2ccsc2)no1)Nc1cc(Cl)c(Cl)cc1Cl 25057650 MWYLBKHNVPKGCC-UHFFFAOYSA-N 434.757 5.630 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(F)c2)c2ccccn2)c1C 26770919 VITIGZVQMOMUFS-QHCPKHFHSA-N 431.536 6.353 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)cc1C 32116585 GEKWMEUYCJRABK-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1ccc(C)cc1 33013156 CGQBTOVVHMHKFP-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCn1c(COc2ccc(C)c(C)c2)nnc1SCc1cc(=O)c2ccc(C)c(C)c2[nH]1 33064366 MMXIFEMXMGQKDB-UHFFFAOYSA-N 448.592 5.244 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1ccc(-c2cc3ccccc3oc2=O)c(Cl)c1 33431230 XRRQASXYTYLRAJ-UHFFFAOYSA-N 440.282 6.028 0 40 IKAB CCn1c(SCc2ccc(Cl)cc2)nnc1[C@@H](NC(=O)c1ccc(C)cc1)C(C)C 33647816 CTFLTRGGVTVHKT-FQEVSTJZSA-N 443.016 5.679 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2SCc2cscn2)cc1F 40050585 AQIUJDLGCMCNOC-CQSZACIVSA-N 430.526 5.067 0 40 IKAB COCc1nn2c(ncc3c(=O)n([C@@H]4CCCC[C@H]4C)ccc32)c1-c1ccc(Cl)cc1 40397795 IVMODVLVMXADID-FOIQADDNSA-N 436.943 5.262 0 40 IKAB CCc1nc2c3cc(OC)c(OC)cc3nc(SCc3ccc(Cl)c(Cl)c3)n2n1 43804388 LSSHJLMWHGVSND-UHFFFAOYSA-N 449.363 5.456 0 40 IKAB O=C(CCCn1cnc(-c2ccccc2)cc1=O)Nc1cc(C(F)(F)F)ccc1Cl 49028161 YAOKTTLKEIZKSB-UHFFFAOYSA-N 435.833 5.001 0 40 IKAB CCCCn1c(SCC(=O)Nc2ccc(C)cc2)nc2c(-c3ccccc3)c[nH]c2c1=O 57523084 BKXJYFVVNVXVQZ-UHFFFAOYSA-N 446.576 5.231 0 40 IKAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCC(C(=O)Nc3ccccc3)CC2)c1 58160626 WEORTFXUPOBZQG-AREMUKBSSA-N 441.575 5.334 0 40 IKAB CCOc1ccc(-n2nc(-c3nc(-c4ccc(Cl)cc4)no3)c3ccccc3c2=O)cc1 64949817 WRHMUFSNYQQCTP-UHFFFAOYSA-N 444.878 5.155 0 40 IKAB CCO[P@@](=O)(NCc1ccccc1)C(NC(=O)c1ccc(C)cc1)=C(Cl)Cl 72238698 YKNPJBSXJINTRB-HHHXNRCGSA-N 427.268 5.348 0 40 IKAB Cc1cccc(Nc2cccc([C@@H]3CCCN3Cc3cc4ccccc4nc3N(C)C)n2)n1 72375393 ONYSGACANSOWOK-DEOSSOPVSA-N 438.579 5.480 0 40 IKAB Cc1csc(Nc2cccc([C@H]3CCCN3C(=O)c3ccc4[nH]c(C(C)C)nc4c3)n2)n1 72375806 XVJQQVUPPHAJKE-HXUWFJFHSA-N 446.580 5.567 0 40 IKAB COc1cccc(Cn2c(SCc3c(C)noc3C)nc3c(oc4ccccc43)c2=O)c1 96097163 YPCOWDOFXZPIRH-UHFFFAOYSA-N 447.516 5.097 0 40 IKAB CC(C)n1cnc([C@@H]2CN(Cc3ccccc3)c3ccc(C(=O)N4CCCC[C@@H]4C)cc32)n1 96156370 NFTGJEHPZSQUQW-GBXCKJPGSA-N 443.595 5.026 0 40 IKAB Cc1cc2c(cc1C)NC1=C(O)[C@@H](c3c[nH]c4ccc(COc5ccccc5)cc34)OC1=N2 100134575 HFWPWIIJNZNRER-AREMUKBSSA-N 437.499 6.360 0 40 IKAB in-vitro CC(C)(C)c1ccc([C@@H]2[C@@H]3C(=O)N(c4ccccc4)C(=O)[C@H]3ON2c2ccccc2)cc1 101110769 BPCKCISMEYBLFD-VXNXHJTFSA-N 426.516 5.035 0 40 IKAB Cc1ccc([C@@H]2Nc3ccccc3N=C3C[C@H](c4ccc(C(C)(C)C)cc4)CC(O)=C32)cc1 102648175 ACWAEVCSYLUJHP-ZTOMLWHTSA-N 436.599 7.922 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ncnn4[C@@H](c4ccc(Cl)cc4)C3=C(O)C2)c(OC)c1 102659281 DYFYPNDWLNTWQW-FPTDNZKUSA-N 436.899 5.014 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1CCOc1ccccc1 106766696 OXBOSZVPOQEVSP-KQWNVCNZSA-N 449.503 5.520 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1ccccc1Cl 106970830 DGIWUNFJZZOUKJ-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)c(C)c1 106993209 XDAIGKGZCUZOBK-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB O=C(Nc1ccc2ccccc2c1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 108939511 WPGSDTFVAUUKNF-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(Cc4ccccc4Cl)C3=O)o2)cc1 214100337 OKKKGPZPBGWSOG-CIAFOILYSA-N 437.904 6.039 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1cccc(C)c1 216028473 VQTHMUUFBJXGTF-UHFFFAOYSA-N 428.561 5.730 0 40 IKAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)c1 216494306 XMCCFYJLUWJGNV-INIZCTEOSA-N 426.409 5.736 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 222587704 OYBUDGIIRJUSPQ-QHCPKHFHSA-N 445.003 5.139 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 222776798 LMIGMJHSZGGLBT-LLVKDONJSA-N 448.177 5.006 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222939449 SUYRDXVMHGIZPC-FCHUYYIVSA-N 425.985 5.932 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2ccc(Cl)cn2)N1C1CCCCC1 223111503 VUPXBOOJWIZGQF-FCHUYYIVSA-N 438.000 5.226 0 40 IKAB Cc1cccc(CN(C(=O)COc2cccc3ccccc23)[C@H](C)C(=O)NC2CCCC2)c1 223805613 OQMMRHOUUQJJRF-OAQYLSRUSA-N 444.575 5.003 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)c(C)n1Cc1ccco1 223849084 IGYPMHGMHNEBBS-BJKOFHAPSA-N 444.560 5.024 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223903087 UFFITUHGZLSLQC-INIZCTEOSA-N 433.379 5.012 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224357450 ANYBDNXCVJZMTL-JWQCQUIFSA-N 439.588 5.568 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1C 224443260 CWRGBBFDUGXWLL-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB Oc1ccc(Cl)cc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C2CCCC2)c1 224884916 GCLHXAXITOXGPV-FCHUYYIVSA-N 438.984 5.534 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 225048020 SXPQWRJFTABRMF-FGZHOGPDSA-N 430.592 5.413 0 40 IKAB O=C(O)[C@H](Cc1ccc(I)cc1)Oc1ccc(-c2ccccc2)cc1 225068394 JOHGHWGVPAFPFY-FQEVSTJZSA-N 444.268 5.033 0 40 IKAB COc1ccc(Nc2nc(/C=C3/SCCN3C(=O)c3cccc(Cl)c3)cs2)cc1 225250270 VUUCOUWTWIDOJD-XDHOZWIPSA-N 443.981 5.736 0 40 IKAB CC(C)(C)c1ccc(-c2noc(CNC(=O)CCc3c(Cl)cccc3Cl)n2)cc1 225364662 ANVDMHSYQQOUNH-UHFFFAOYSA-N 432.351 5.590 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)cc1C(=O)OC 225762355 ISVPMKNOEMKZTD-UHFFFAOYSA-N 427.516 5.632 0 40 IKAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H](c2cccc(-c3cccc(Cl)c3)n2)C1 257330166 XNDVEKVWFXCCPP-OAQYLSRUSA-N 427.935 5.970 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(C)c2)n(CC)c1-c1ccc(Br)cc1 408560943 FZNNMORQFUMYTQ-GYHWCHFESA-N 443.410 6.001 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 408563574 OIVQUUNMACWVLR-DENIHFKCSA-N 438.490 5.143 0 40 IKAB O=C(CSCc1ccccc1Br)NC(c1ccccc1)c1ccccc1 408563776 PKCVQAMPRSTOPI-UHFFFAOYSA-N 426.379 5.588 0 40 IKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)c(Cl)c1 408586500 NHFIWODJJOEYSJ-UHFFFAOYSA-N 447.554 5.906 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(Cl)c3)n2)cc1 408693639 BHRXVRSGWAYTAZ-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc2ccc(OC)c(C[C@H]3SC(=O)N(c4cccc(Cl)c4)C3=O)c2c1 409142915 FLQXBULJKCRIEZ-HXUWFJFHSA-N 427.909 5.322 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(F)c2C)nnc1-c1ccc(Cl)cc1Cl 409165095 SFVVVEZVPQTWDI-UHFFFAOYSA-N 439.343 5.450 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccc(C)cc3)cc2)cc1 409166404 FNRPJMWEAJEIPD-GOSISDBHSA-N 440.590 5.224 0 40 IKAB O=C(Nc1cccc2cccnc12)c1ccc(COc2ccc(Br)cc2)cc1 409175909 DOVXITXXVZEICM-UHFFFAOYSA-N 433.305 5.829 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccc4ccccc4c3)n2C)cc1 409362545 RHGSAZHNYRNEAK-UHFFFAOYSA-N 448.617 5.441 0 40 IKAB C[C@@H](NC(=O)c1ccccc1-c1ccc(C(F)(F)F)cc1)c1ccc([S@](C)=O)cc1 535955488 WIHSKDBRAQKUCX-FOGNVHKLSA-N 431.479 5.601 0 40 IKAB CCN1CCCCCCN(C(=O)CC2CC2)[C@@H](CC(C)C)COc2ccccc2C1=O 643582697 INVLLHSKEOXXNW-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB COc1ccccc1Cc1cnc([C@H]2CCCCN2C(=O)c2cc3cc(F)ccc3[nH]2)o1 1848353304 PBYORPGIOBRPHT-JOCHJYFZSA-N 433.483 5.262 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)cc12 1848355214 NBOUIMLHZMEXRE-QGZVFWFLSA-N 448.954 5.104 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(Cl)cc4)cc3N2)cc1 675273 KMQXEBKRCFGTHL-FUHWJXTLSA-N 434.849 5.758 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2c(F)cccc2Cl)c2ccccc21)c1ccc(Cl)cc1 1320603 CLQMRATXEJRTRM-QHCPKHFHSA-N 444.289 5.140 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)nc(SCC(=O)c4c[nH]c5ccccc45)c23)C1 1377245 XURLKWLIBYWYKA-CYBMUJFWSA-N 433.602 6.150 0 40 IKAB Cc1nc(N[C@H](C)CCc2ccccc2)c2sc3nc4c(cc3c2n1)COC(C)(C)C4 1833071 JVFYHIQNPIFKMT-OAHLLOKOSA-N 432.593 5.832 0 40 IKAB Cc1cc2c(cc1C)CSC(c1cc(Br)c3ccccc3c1O)SC2 2060213 DCMSIPGTKLRNCS-UHFFFAOYSA-N 431.420 7.104 0 40 IKAB COc1ccc(C(=O)Nc2c(-c3ccccc3)c(=O)c(C)nn2-c2ccc(C)c(C)c2)cc1 2227102 SBWJJWJMYVKMCC-UHFFFAOYSA-N 439.515 5.086 0 40 IKAB O=C1[C@H](C[C@H]2CCC[C@@H](C3(Cl)CCCCC3)C2=O)CCC[C@@H]1C1(Cl)CCCCC1 2275332 LIEKHNOVNVFJAU-FXELSEDVSA-N 441.483 7.231 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccco2)n(C2CCCCC2)c2nc3ccccc3nc12 2277549 OGNMPGBLOQERST-UHFFFAOYSA-N 432.480 5.112 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)N[C@@H](c1ccccc1)c1cccc(F)c1 2307334 HOFKOZBBHXEODO-UIOOFZCWSA-N 428.482 6.143 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)OCc1ccc(Br)cc1F 2617367 YRUAZILEUUWUJE-UHFFFAOYSA-N 437.696 5.152 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3cc(C)on3)n2[C@H]2CCCC[C@H]2C)c1 2650313 BPHYUULDZLXTFA-QAPCUYQASA-N 425.558 5.032 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccc(OC(F)F)cc3)n2C(C)C)cc1 3286125 UYYNNAFJEVNLHK-UHFFFAOYSA-N 433.480 5.111 0 40 IKAB Cc1ccc(Nc2nnc(SCCOc3ccc(Br)cc3)s2)c(C)c1 3296048 MNQUHRSAYMLAON-UHFFFAOYSA-N 436.400 5.832 0 40 IKAB CCC(C)(C)c1ccc(OCCCN2CCN(c3ccccn3)CC2)c(C(C)(C)CC)c1 4729691 HFAPDCQUHWZTNA-UHFFFAOYSA-N 437.672 6.048 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCC2)c(C)c1 6195409 QZHLBTQPVHNABT-UHFFFAOYSA-N 433.621 5.903 0 40 IKAB CCc1ccccc1-n1ncc(-c2nn3c(Cc4ccc(Cl)cc4)nnc3s2)c1C 8398773 QPRISVQASMBBDM-UHFFFAOYSA-N 434.956 5.154 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3cccc(Cl)c3)CC2=O)cc1 8606589 AGHUMTRLJJPBLP-IBGZPJMESA-N 445.950 5.657 0 40 IKAB CC(C)(C)c1ccc([C@H]2NC(=O)c3c(sc4c3CCN(Cc3ccccc3)C4)N2)cc1 8722395 PPDQMUBHZQIOGB-QHCPKHFHSA-N 431.605 5.458 0 40 IKAB COCCn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2ccccc21 8725543 GWKQOZRILXTMFJ-UHFFFAOYSA-N 443.878 5.086 0 40 IKAB FC(F)(F)c1nc2cc(Cl)c(Cl)cc2nc1Oc1c(Cl)cccc1Cl 8782104 FJZDSGNTLWXWFA-UHFFFAOYSA-N 428.024 7.055 0 40 IKAB CCOc1ccccc1-n1c(SCC(=O)c2cc(C)ccc2C)nnc1-c1cccnc1 8808778 PCVOTEGUSCSXFR-UHFFFAOYSA-N 444.560 5.320 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F)c1ccccc1Cl 8810378 IOQNCGMIBMPAAL-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)ccc1Cl 8902809 MCLNBAJVJWDGCQ-UHFFFAOYSA-N 441.896 5.121 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3oc(-c4ccc(C(C)C)cc4)nc3c2)c1 8902935 LMGAGWUCDIFMDE-UHFFFAOYSA-N 428.532 7.049 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 9129697 DIEQAISLIHKMPY-UHFFFAOYSA-N 436.895 6.206 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cccc(C)c4OC)cc3n2)cc1 9226565 QMQJOOZKTJSNHS-UHFFFAOYSA-N 448.954 5.986 0 40 IKAB c1ccc([C@H]2Nn3c(nc4ccc(N5CCC(N6CCCC6)CC5)cc43)-c3ccccc32)cc1 9421239 IWTZCEKDJZGFJN-MUUNZHRXSA-N 449.602 5.414 0 40 IKAB COc1cccc(CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1 9459475 BGNUCRBZIRFWIN-UHFFFAOYSA-N 438.574 5.279 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4cccc5ccccc45)c23)cc1 9459710 XZESINXXBKZKCW-UHFFFAOYSA-N 441.581 6.551 0 40 IKAB C[C@H]1CCCC[C@H]1n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 9562230 QZZNVAKDIZHTPN-HRAATJIYSA-N 431.565 5.548 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)c2ccc(C)c(NC(=O)c3ccco3)c2)cc1 9669584 GQYQKUFDPQLZDL-QHCPKHFHSA-N 432.520 5.606 0 40 IKAB Cn1c(-c2ccc(-c3ccccc3)cc2)cnc1NCc1c(F)cccc1Br 9805801 IWNQXNPFLMGZLO-UHFFFAOYSA-N 436.328 6.268 0 40 IKAB CCn1c(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1ccc(Cl)cc1Cl 9848359 JSZUMIQDTMJTQL-BLLLJJGKSA-N 427.401 5.059 0 40 IKAB O=C(Nc1ccc(OCCc2ccccc2)cc1)c1ccccc1OCCc1ccccc1 10508631 OGKHJGIPMRARQA-UHFFFAOYSA-N 437.539 6.182 0 40 IKAB O=C(O)c1cc(-c2ccc(-c3ccc(Br)c(Cl)c3)o2)nc2ccc(F)cc12 12130006 GYFVIUUUGZUTHH-UHFFFAOYSA-N 446.659 6.415 0 40 IKAB Cc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1 12463081 UVNCRGNHBLFMIL-DEOSSOPVSA-N 448.444 7.045 0 40 IKAB COc1ccc(C2=NNC(c3ccc(Br)cc3)=Nc3ccc(Cl)cc32)cc1 12485259 ISXOTMYVCVLMHP-UHFFFAOYSA-N 440.728 5.545 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1cccc(N2CCCC2=O)c1 12739371 XMRNUJCJDMCFGY-UHFFFAOYSA-N 444.318 5.347 0 40 IKAB COc1ccc(-c2nc(CN(Cc3ccco3)Cc3cccs3)cs2)cc1OC 12996599 BJGVDHWXRGYTOY-UHFFFAOYSA-N 426.563 5.684 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CCCCC1)c1ccccc1 13141248 PLNBTAJEVAGKON-QGZVFWFLSA-N 438.572 5.559 0 40 IKAB Cc1sc2ncnc(Sc3nc4ccccc4c(=O)n3Cc3ccc(F)cc3)c2c1C 13150375 VYEDTFWLNYOWPC-UHFFFAOYSA-N 448.548 5.357 0 40 IKAB O=C([C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)c1ccccc1)N1CCOCC1 13163420 XDWDIDSNYGNRMF-NRFANRHFSA-N 447.585 5.051 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(OC)cc4OC)=NN32)cc1 13303745 GDKBUQQZRLFZJM-OZXSUGGESA-N 430.504 5.345 0 40 IKAB COc1ccc(N(C(=O)c2ccccc2)[C@H]2C[C@H](C)N(C(=O)C(C)C)c3ccccc32)cc1 13510786 XKRAANNKPJEXFV-FNZWTVRRSA-N 442.559 5.865 0 40 IKAB O=C(NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1)c1ccc(Cl)cc1 14271250 VPUOVGJBQJGQTH-UHFFFAOYSA-N 449.919 5.465 0 40 IKAB CC(C)C(=O)Nc1cccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c1 14273108 HEKTXTMWAWWGCH-VQHVLOKHSA-N 443.330 6.500 0 40 IKAB O=C1N(c2ccc(Br)cc2)[C@H](c2ccc(Br)cc2)C12CCCCC2 15305229 GTHFAZOTUFPODE-GOSISDBHSA-N 449.186 6.250 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccccc4-c4ccccc4)cc3)c2O1 15881155 AUIMAAYWTHCFIR-UHFFFAOYSA-N 449.550 6.898 0 40 IKAB COc1ccc(/C=C2/SC(=O)N(CNc3ccc(Cl)c(Cl)c3)C2=O)cc1OC 16227112 LXEPQUAYPLKGCV-CAOOACKPSA-N 439.320 5.117 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(C)c(Cl)c3)c2-c2cccs2)cc1 16311692 WYPRJDROPBYVNV-UHFFFAOYSA-N 432.940 5.514 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3cc(Cl)ccc3Cl)c2)cc1 16323142 YQGVSSSQCJQEQV-UHFFFAOYSA-N 441.358 6.796 0 40 IKAB COc1cccc(-c2nn(-c3ccccc3Cl)c(-c3cccc(OC)c3)c2Cl)c1 17094297 XYFPMHUTFSSJJF-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2ccccc2)N2C[C@@H](C)O[C@H](C)C2)c1C 19880203 FMZHLCDGPJECMI-GGUMNFRJSA-N 434.605 5.816 0 40 IKAB O=C(CSc1ccc(Cl)cc1)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20238411 SYLQNGLPBSJWRL-UHFFFAOYSA-N 437.008 5.366 0 40 IKAB COc1ccc(-n2nc3ccc(NC(=O)c4cccc(Cl)c4Cl)cc3n2)cc1Cl 20610730 VCXMCNONMIOSIL-UHFFFAOYSA-N 447.709 5.642 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3c(Cl)cccc3Cl)s2)c1 20787882 ZMHUJLLKVDTTBP-UHFFFAOYSA-N 425.366 5.628 0 40 IKAB Cc1noc(C)c1COc1cccc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)c1 22877024 BZIVFTDYNPYJRF-UHFFFAOYSA-N 428.891 5.468 0 40 IKAB CCCCc1ccc(Nc2cc(C)nc3c(-c4ccc(OC)c(OC)c4)c(C)nn23)cc1 27585439 XFOOMXSKXZHVLR-UHFFFAOYSA-N 430.552 6.117 0 40 IKAB CC(=O)Nc1c(-c2ccc(Cl)cc2)nc2c(Br)cc(Br)cn12 27991641 IROYZILMVQGCAL-UHFFFAOYSA-N 443.526 5.138 0 40 IKAB CNC(=O)c1ccc(CN(C)C(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 31530672 CDONWDOHNDLINS-UHFFFAOYSA-N 443.934 5.187 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1)c1sc(-c2ccco2)nc1-c1ccccc1 32753129 ZVBPMGKPHJRNQJ-UHFFFAOYSA-N 431.517 5.159 0 40 IKAB COc1cc(CN(C(=O)c2cc(Br)ccc2F)C2CC2)ccc1OC(F)F 32772473 FIJRYVXANCTVSC-UHFFFAOYSA-N 444.247 5.003 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4C)cc3s2)c1 33000459 ZRZNTJAKAKOXEA-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB CCc1ccc2[nH]c(CSc3nnc(COc4cc(C)ccc4C)n3CC)cc(=O)c2c1 33067743 ORUXIWRGRHNZFJ-UHFFFAOYSA-N 448.592 5.190 0 40 IKAB CCCCOc1cccc(C(=O)NC(=S)Nc2cccc(Cl)c2N2CCCC2)c1 33758510 URBHILNODDENOM-UHFFFAOYSA-N 431.989 5.246 0 40 IKAB FC(F)(F)c1cc(NC(=S)N2CCN(Cc3ccccc3)CC2)cc(C(F)(F)F)c1 33808191 UEVOGIYBBNKITJ-UHFFFAOYSA-N 447.448 5.239 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](Nc1ccc(F)cc1)C(=O)c1ccccc1 35047398 IFWQEPZBUQMECD-KPFFTGBYSA-N 435.326 5.154 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1cccc(C)c1C 35176030 VNQPMNJVKFMLRG-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CCOc1cc(-c2ccccc2)sc1C(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 40145385 SJEIQULZLZZYAH-UHFFFAOYSA-N 436.577 5.450 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)N1CC[C@H](C)Sc2ccccc21 48237883 RCXAFJVTZHDEEV-AWEZNQCLSA-N 428.554 5.701 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2cccc(C(C)C)c2)nc2ccsc2c1=O 57426066 YATDIOGCRZKKKM-UHFFFAOYSA-N 429.611 5.358 0 40 IKAB O=C(Cc1csc(Cc2ccccc2)n1)N[C@H]1CCCc2nc(-c3ccccc3)sc21 58099164 DWOSTHAGXJQPRY-FQEVSTJZSA-N 445.613 5.594 0 40 IKAB CC[C@H](C)NC(=O)[C@H]1C[C@H](C)N(Cc2nnc(-c3ccc(Cl)cc3)o2)c2ccccc21 58224958 QOXBPKJTVZKVHV-FTRWYGJKSA-N 438.959 5.187 0 40 IKAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(-c2cc(Cl)c(Cl)cc2Cl)o1 59639210 FYUXSGYLJPSRNS-MRXNPFEDSA-N 429.687 5.098 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 72352243 LBTVTQRJOFXEFG-SFHVURJKSA-N 445.588 5.033 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1Cc1ccccc1Cl 89577940 PKKDZGWNZDDQRX-UHFFFAOYSA-N 427.913 5.425 0 40 IKAB O=C(N[C@@H](C(=O)O)c1cccc(-c2ccccc2)c1)OCC1c2ccccc2-c2ccccc21 95749006 PWRYJYDNUXZTTJ-HHHXNRCGSA-N 449.506 6.018 0 40 IKAB COc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nc(-c4ccc(Cl)cc4)nn32)cc1 100817206 BCSMSLRKNSRDKN-QFIPXVFZSA-N 432.886 5.802 0 40 IKAB COc1ccc([C@@H]2CC3=Nc4ncnn4[C@@H](c4ccccc4Cl)C3=C(O)C2)cc1OC 102677895 BLNRWUQIUHBDEJ-PEBXRYMYSA-N 436.899 5.014 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(Cl)cc3)CC(O)=C2[C@H]1c1ccccc1 102879530 GZCBREOSOKFUPB-NFQMXDRXSA-N 442.946 6.910 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 211131798 QQCCGOCMWODYJO-UHFFFAOYSA-N 425.517 5.611 0 40 IKAB O=C(COc1ccc2ccccc2c1Br)Nc1ccc(OC2CCCC2)cc1 218906592 QHGYQSMBXKTLTN-UHFFFAOYSA-N 440.337 5.941 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccc(C(C)C)cc1 223815778 CDKIALUPLRDQEV-XMMPIXPASA-N 442.575 5.052 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)N[C@H](c3ccccc3C)C(C)C)c2)c1 223953087 NZVFTKPDEMPIGO-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1ccc2c3c(cccc13)CC2 224079855 MKNVOLBUVMGTGO-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)cc1 224305578 IQWIEXAEKQZBHZ-UHFFFAOYSA-N 444.556 5.534 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc2ccccc2c1 224315136 SRPTYXZQWOBOCK-UHFFFAOYSA-N 441.483 5.451 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(Cl)c(C(=O)Nc3cccc(C)c3)c2)cc1 224339661 HKZMLOVDWWZMNN-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccc(OCc3ccccc3Cl)cc2)c2ccccc2O1 224582439 HZMZKKZYXRDXFH-DEOSSOPVSA-N 449.978 6.731 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1cccc(OC)c1 224587845 WTKNVPVFUONBFV-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB Cc1ccccc1CN(C(=O)CCCOc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224693937 KZNOVVMGYZOLMC-JOCHJYFZSA-N 436.596 5.020 0 40 IKAB Cc1cccc(CSc2nnc(NC(=O)Cc3ccc(-c4ccccc4)cc3)s2)c1 224982920 GLMXBFSKJXZMGQ-UHFFFAOYSA-N 431.586 5.987 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 225162896 GIMHJDQTNOQYJM-FQEVSTJZSA-N 443.031 5.730 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 225170299 ZFGKQOANEYWCIO-CABCVRRESA-N 439.358 5.007 0 40 IKAB CCOC(=O)c1c(NC(=O)CCc2ccc(Cl)c(Cl)c2)sc2c1CCCC2 225327942 OUWYKBTXWBCGHU-UHFFFAOYSA-N 426.365 5.682 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1 225507322 YFAARSNAZIHQTK-RUZDIDTESA-N 443.616 5.697 0 40 IKAB C[C@@H]1C[C@@H](C)CN(c2cc(C(F)(F)F)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 225963582 HLRMOTNOLGAHJV-RBSFLKMASA-N 437.535 5.025 0 40 IKAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccc(Br)cc1 226287735 FACDPFSKHMNMBS-UHFFFAOYSA-N 441.712 5.515 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2ccccc2C)CCN(C(=O)C2CCCCC2)CC1 257262346 LLBFWURDFYPVFV-UHFFFAOYSA-N 446.635 5.530 0 40 IKAB Cc1cccc(Nc2cncc(C3CCN(C(=O)[C@H](C)Cc4cccc(Cl)c4)CC3)n2)n1 257323641 WLFXOUSORQYEKS-QGZVFWFLSA-N 449.986 5.162 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCN(C(=O)c3cc4ccc(C)cc4[nH]3)C2)o1 257339559 ZCGHBGJUXYQZKJ-HXUWFJFHSA-N 429.520 5.084 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c1 408640002 HCMINXSOEKYUAB-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB Cc1ccc(-c2nc(C(=O)OCC(=O)c3ccc(Cl)cc3)nn2-c2ccc(C)cc2)cc1 408697884 MGMMWJWBXIOCOM-UHFFFAOYSA-N 445.906 5.244 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)c1C 408699583 UYQQANMWCWKEEL-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1cc(C)c(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c(C)c1 408725847 QHPNTCKRAQWTGH-UHFFFAOYSA-N 445.566 7.178 0 40 IKAB O=C1S/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1CCc1ccccc1 409004873 BXKTWESEZYQVSZ-MOSHPQCFSA-N 444.339 6.532 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccc(OC)cc3)nnc2-c2ccccc2)cc1 409103384 WGFUFGNKTJUHRO-UHFFFAOYSA-N 444.560 5.236 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)cc(Cl)c1OCc1cccc(F)c1 409127091 CSZVMZHNILLMCS-UHFFFAOYSA-N 434.338 7.031 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3cc(C(F)(F)F)ccc3Cl)C(=O)[C@H]21)c1ccccc1 409369847 ZYQMEKBZNSPNJD-IMAQQZIHSA-N 443.852 5.754 0 40 IKAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCN1C(=O)CCC1CCCC1 643583554 BDCVGNRWEFNTSX-QFIPXVFZSA-N 428.617 5.145 0 40 IKAB COc1ccc(-c2cccc(C(=O)Nc3ccc(N4CCOCC4)c(Cl)c3)c2C)cc1 643586815 DQISTSQZQKCCOC-UHFFFAOYSA-N 436.939 5.413 0 40 IKAB CN1C(=O)C=C[C@]2(C)[C@@H]1CC[C@@H]1[C@H]3CC[C@@H](C(=O)Nc4ccccc4Cl)[C@@]3(C)CC[C@H]12 1529040326 CTVXDPDUOKQBKZ-VTGFLHKZSA-N 441.015 5.534 0 40 IKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@]12C)C(C)C 1547208768 BYLDLYWTMFKRNR-ZFHFLALNSA-N 430.717 6.997 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1 714813 UJBSCEQIYILHIL-XMMPIXPASA-N 441.531 5.261 0 40 IKAB biogenic CC[C@H](COC(=O)Nc1ccccc1)N1C(=O)CS[C@H]1c1ccc(Cl)cc1Cl 823214 VOOLDIGNBZELOQ-BEFAXECRSA-N 439.364 5.595 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccccc2Cl)cc1 888245 PSKQVPLMVPZZPQ-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H](Nc1ccc(I)cc1)c1ccncc1 1281064 IVBCLEVFHZEAOA-NRFANRHFSA-N 439.300 5.677 0 40 IKAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(CCC[C@@H](C)CCC[C@H](C)CCCC(C)C)O2 1571278 GVJHHUAWPYXKBD-UETOGOEVSA-N 430.717 8.840 0 40 IKAB in-vitro O=C(COc1ccc(Cl)cc1Cl)OCCOc1cc(Cl)c(Cl)cc1Cl 1747409 HBJDZVXQIFDKNO-UHFFFAOYSA-N 444.525 5.955 0 40 IKAB CCOC(=O)c1c(-c2ccc(C(C)(C)C)cc2)csc1NC(=O)CCC1CCCC1 2107972 IOKZBHHRTPYXFL-UHFFFAOYSA-N 427.610 6.798 0 40 IKAB Cc1cccc2c1Oc1nc(-c3ccccc3)nc(SCC(=O)Nc3ccccc3)c1C2 2713120 PHTBXIBDCPLBFO-UHFFFAOYSA-N 439.540 5.879 0 40 IKAB FC(F)(F)c1cc(-c2cccs2)nc(-n2nc(-c3cccs3)cc2C(F)(F)F)n1 2803260 MQBILGRMIXEIOF-UHFFFAOYSA-N 446.401 6.157 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cnn2c1N[C@H](c1ccco1)C[C@H]2C(F)(F)F 3012849 HKFBHCHIJUOPSX-ZFWWWQNUSA-N 445.228 5.696 0 40 IKAB COC(=O)c1ccccc1Sc1cc(CSc2ccccc2)nc(-c2ccccc2)n1 3104486 UYLYYHSUIDACTK-UHFFFAOYSA-N 444.581 6.374 0 40 IKAB CCN1C(=O)N(c2ccccc2)[P@@](=O)(Nc2ccc(C)cc2)c2cc3c(cc21)OCCO3 3195346 UUYSYLWVIOXEQY-YTTGMZPUSA-N 449.447 5.163 0 40 IKAB Fc1ccccc1Nc1nnc(SCCOc2ccc(Br)cc2)s1 3294005 HPVHCVBAWLMVGM-UHFFFAOYSA-N 426.336 5.354 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cccc(C(F)(F)F)c1 3328313 JKAGIBCLBOOUBF-LJQANCHMSA-N 442.868 6.402 0 40 IKAB CC(=O)c1ccccc1NC(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3349331 PXRYXQUTADNFTG-UHFFFAOYSA-N 446.528 5.064 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)NCCNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc1 4027210 ADXAZTWBWFPYRO-FGZHOGPDSA-N 436.640 5.223 0 40 IKAB biogenic CC(C)(C)c1cc(C(C)(C)C)n(-c2ccc(NC(=O)NC(Cl)=C(Cl)Cl)cc2)n1 4289196 LOAJTPYRZQRDFL-UHFFFAOYSA-N 443.806 6.432 0 40 IKAB Clc1ccc(COc2cccc(CNc3ccc(N4CCCC4)cc3)c2)c(Cl)c1 4397259 ZGLGXHNYQYVZLH-UHFFFAOYSA-N 427.375 6.785 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1C 4903282 JLXNHVDPRMSQRE-NRFANRHFSA-N 425.532 5.253 0 40 IKAB O[C@@H](C[C@@H]1CCC[C@@H](C[C@H](O)c2ccccc2)N1CCc1ccccc1)c1ccccc1 5082654 ZHOOOEZKEUBMPQ-DZUOILHNSA-N 429.604 5.700 0 40 IKAB O=C1OC(c2ccccc2)(c2ccccc2)C[C@@H]1CC(O)(c1ccccc1)c1ccccc1 5663187 JDHZGQSYKDNIJE-QHCPKHFHSA-N 434.535 5.820 0 40 IKAB CCCCOC(=O)c1cc(-c2ccc(/C=C3/N=C(c4ccccc4)OC3=O)o2)ccc1Cl 6480702 JMNKAGVBUCDPIN-RCCKNPSSSA-N 449.890 5.901 0 40 IKAB CCN(CC)CCCN(C(=O)c1ccc(OC)cc1)c1nc(-c2ccc(F)cc2)cs1 6511290 PCHIWNFIPSJWJL-UHFFFAOYSA-N 441.572 5.337 0 40 IKAB CCCS(=O)(=O)c1c(Nc2cc(C)ccc2C)sc(C(=O)c2ccc(F)cc2)c1N 8756733 VKJWWZITRRFILU-UHFFFAOYSA-N 446.569 5.245 0 40 IKAB Cc1cc(C)c(-c2n[nH]c3c2[C@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)c(O)c1 8845467 GFWQOLASQQOIQP-QHCPKHFHSA-N 433.895 5.391 0 40 IKAB Cc1cccc(C)c1NC(=O)Cc1csc(SCC(=O)Nc2ccc(Cl)cc2)n1 8852541 JYTBLLXKLQOZRJ-UHFFFAOYSA-N 445.997 5.325 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2F)n1C(C)C 9095960 FZPKMQWBSBFBIY-UHFFFAOYSA-N 434.924 5.058 0 40 IKAB COc1ccc(-c2c(-c3ccc(OCc4c(F)cccc4Cl)cc3O)n[nH]c2C)cc1 9130703 MQPJOXTZMCBNLT-UHFFFAOYSA-N 438.886 6.138 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1 9210495 LGCOCCIURRUJKD-JOCHJYFZSA-N 428.513 5.277 0 40 IKAB COc1cccc([C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 9281779 CUUHNKSDTZCGIL-GBXCKJPGSA-N 434.879 5.320 0 40 IKAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(=O)c3cccc(C(F)(F)F)c3)cc2)n1 9573411 KXASYPPNTYNQPP-UHFFFAOYSA-N 443.473 5.646 0 40 IKAB CCc1ccc(N(C(C)=O)c2nc(CSc3nnc(C4CC4)n3C3CC3)cs2)cc1 9815973 PWIKOWJDIOJNOQ-UHFFFAOYSA-N 439.610 5.486 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)c(F)c2)cc1 12196568 BDXPVCDDWVGIKZ-WIOPSUGQSA-N 436.458 5.614 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccccc2F)C(=O)c2ccco2)cc1 12478450 NUIGMJWIIGMKJD-VWLOTQADSA-N 448.538 5.560 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCc2nc3c(C)cccc3c(=O)[nH]2)cc1 12520107 UURCPZQUGVRLFR-UHFFFAOYSA-N 438.556 5.685 0 40 IKAB O=C(O)C/C(=C\c1ccc(-c2cc(Cl)ccc2Cl)o1)c1nc2ccccc2s1 12528736 WZDCMQWZNFRLMD-FMIVXFBMSA-N 430.312 6.878 0 40 IKAB CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)/C=C/c1cccc2cccnc12 13003201 QVPBFWGJPPFWCT-OUKQBFOZSA-N 432.911 5.389 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccccc2C(F)(F)F)c(C)n1Cc1ccccc1Cl 13095966 NLEDVYQBQTYSJB-UHFFFAOYSA-N 449.856 5.865 0 40 IKAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 13146501 HJVMCZFCGSFDTF-UHFFFAOYSA-N 444.512 5.266 0 40 IKAB COC(=O)c1c(NC(=O)C2CCCCC2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 13388615 YKZUXBRNPXRGAB-UHFFFAOYSA-N 448.972 5.576 0 40 IKAB COc1ccc2nc3sc(C(=O)Nc4ccccc4Br)c(N)c3cc2c1 13503433 YJBQNNHFHBNKSB-UHFFFAOYSA-N 428.311 5.055 0 40 IKAB O=C(CSCc1cccc(Cl)c1)Nc1ccc(-c2nnc(-c3ccco3)o2)cc1 13945516 RTELHEAFHWESII-UHFFFAOYSA-N 425.897 5.522 0 40 IKAB CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(C)c(Cl)c3)o2)cc1 13946140 HRQWPAZJEGDTRR-ZRDIBKRKSA-N 438.936 5.637 0 40 IKAB COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(Cl)c2Cl)c2ccccc2)c1 14161381 POUGFXNJKRNWLJ-FQEVSTJZSA-N 430.287 5.539 0 40 IKAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl 14673248 BLPLLUDVUNBFJO-UHFFFAOYSA-N 427.291 5.454 0 40 IKAB COCc1c(C(C)C)nc(C(C)C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c1-c1ccc(F)cc1 15657757 MCBZSKZRUIWKPM-ANMDKAQQSA-N 441.543 5.361 0 40 IKAB in-vitro Cc1cccc([C@H]2Nc3ccccc3SC3=C2C(=O)N(c2ccc(Cl)cc2)C3=O)c1 17098242 BRAKHPTVCTZZOM-OAQYLSRUSA-N 432.932 5.735 0 40 IKAB CCOc1ccc(CN2CCC[C@@H](c3cc(C(F)F)c4c(C)noc4n3)C2)cc1OC 19533790 RAIZWOPXYPYBBN-MRXNPFEDSA-N 431.483 5.256 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(C(=O)C2CCCCC2)CC1 19700122 NMPJWXGEISLSBN-UHFFFAOYSA-N 447.623 5.005 0 40 IKAB CCn1c(SCc2nnc(-c3ccc(Cl)cc3)o2)nnc1-c1ccccc1Cl 19928289 GXAQABNMKHAZMQ-UHFFFAOYSA-N 432.336 5.614 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 20460926 APTKIHAGEOAOAX-JTSKRJEESA-N 436.939 5.627 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 20766362 OJHPMELXDJYPLJ-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4cccc(Br)c4)c3)oc2cc1C 21578509 GXHPXMMMFFRAOT-UHFFFAOYSA-N 435.321 6.435 0 40 IKAB COc1ccc(CCNc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2C)cc1 21797967 FOSRCNDLMQNPHP-UHFFFAOYSA-N 434.543 6.059 0 40 IKAB Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(Cl)cc1)S(=O)(=O)c1ccccc1 22274852 XSJQFEQGHXJQBJ-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB O=C(CCc1cnn(-c2ccccc2)c1)NC[C@H]1CC2c3ccccc3C1c1ccccc12 22878822 PEONQNCISRHPLM-UGSZZNERSA-N 433.555 5.218 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)OCc3ccc(Cl)nc3)[C@@H]2c2cccs2)cc1 22966421 OPDZZPYVVMCCRZ-PGRDOPGGSA-N 440.952 5.333 0 40 IKAB CCOc1cc([C@@H]2NC[C@@H](c3ccccc3)c3c2[nH]c2ccccc32)ccc1OCC(C)C 25719458 OTJQJEUYFTUZQO-FIPFOOKPSA-N 440.587 6.426 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 33659692 OMWLOKNRRCXLNC-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB CCOc1cccc2c1O[C@@H](c1cccc(OC)c1)N1N=C(c3cccc(OC)c3)C[C@H]21 34138858 OPMFUKIIEZRFFM-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1cccc(OCc2ccccc2)c1 36357888 XQNYUOHEXLZUNY-UHFFFAOYSA-N 437.455 5.427 0 40 IKAB CO[C@H]1CC[C@]2(C)C3=CC[C@@]4(C)[C@@H]5CC[C@H](C(C)C)[C@@]5(C)CC[C@]4(C)[C@H]3CC[C@H]2C1(C)C 39205517 MRNPHCMRIQYRFU-KXUMSINMSA-N 440.756 8.679 0 40 IKAB biogenic,in-vitro COc1ccc(C2=C(O)C(=O)N(Cc3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)cc1 40485421 JQDWZQWBPWUAMU-AREMUKBSSA-N 427.544 6.180 0 40 IKAB Cc1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)c(C)c2)c1 57426343 UOQBIOVTARVANO-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB CCOc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)C(C)(C)C)cc2c1 58133952 CBRSFZFOUSUIDN-HSZRJFAPSA-N 449.982 6.319 0 40 IKAB O=C(Nc1nnc(C2CCCCC2)s1)N1CCc2sccc2[C@@H]1c1cccs1 58170962 IJROXVKPGXLEEZ-QGZVFWFLSA-N 430.624 5.888 0 40 IKAB Cc1ccc(NC(=O)N[C@@H](C)c2cccc(O)c2)cc1NC(=O)N[C@H](C)c1cccc(O)c1 58245994 MTLFBEVNYQYLJF-DLBZAZTESA-N 448.523 5.172 0 40 IKAB COc1ccc(-c2nc(C)cc(SCC(=O)Nc3ccc(C(F)(F)F)cc3)n2)cc1 67257735 NRNPKIPAQUXFLO-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB CC[C@H](NC(=O)c1cc(SC)ccc1C)c1noc(-c2cccc(Br)c2)n1 84734902 ATPUZBOTRZSWFU-KRWDZBQOSA-N 446.370 5.411 0 40 IKAB COc1ccc(C2=C[C@@H](c3ccccc3Cl)n3nc(C(F)(F)F)nc3N2)cc1OC 101513514 KHSQMTCNFIXUTR-HNNXBMFYSA-N 436.821 5.024 0 40 IKAB COc1ccc(C)cc1N1C(=O)[C@H](c2ccccc2)C(c2nc3ccccc3s2)=C1N 101558525 KTSWWPUFVKTTDE-OAQYLSRUSA-N 427.529 5.071 0 40 IKAB aggregator COc1cc(NC(=O)CC23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)c(OC)cc1Cl 102820972 NSGSZKCWGWCNOS-CJKMCJCZSA-N 442.781 5.420 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccc(C)cc1C 108283604 BBAJRZNOHPBRRE-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB COc1ccc([C@H](CC(C)C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1 222727125 UMIJATLSKAUDIR-FQEVSTJZSA-N 426.409 6.139 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1Cl)C(=O)Cc1c(F)cccc1Cl 222823012 BAVQJYBPJIBKGN-CQSZACIVSA-N 439.358 5.007 0 40 IKAB C[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 222948064 LEDPIVYVPIAUKV-MRXNPFEDSA-N 435.395 5.258 0 40 IKAB O=C(Nc1c(Cl)cccc1Cl)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 223079532 RQSWFRHYZXHNBB-UHFFFAOYSA-N 443.305 5.978 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccccc1Cl 223277764 NAFSVUXJAPKVGC-LJQANCHMSA-N 441.786 5.133 0 40 IKAB COc1cc(C)c([C@@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C(C)C 223325934 FMJRZIANKIOQEL-CQSZACIVSA-N 430.397 5.614 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3Cc3ccccc3)o2)cc1 223399138 YOWBDRJPACNHGU-DNQXCXABSA-N 429.520 5.653 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2cccc(S(=O)(=O)Nc3ccccc3)c2)C(C)C)c(C)c1 223929771 XWHGKTQGSOTTSG-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 223992771 QJWFJZFVGRIFDT-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224111767 ODHOWZULNFMNQW-QGZVFWFLSA-N 447.406 5.055 0 40 IKAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 224534642 VYHJLDWBYCUPSM-UHFFFAOYSA-N 446.981 5.180 0 40 IKAB O=C(CSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 224535259 QXHLMLZJFAYHPQ-UHFFFAOYSA-N 446.981 5.013 0 40 IKAB CC(=O)N1C(=O)C2(c3ccccc31)c1ccc3ccccc3c1Oc1c2ccc2ccccc12 226758193 YMKHDDGRPQCHFS-UHFFFAOYSA-N 441.486 6.326 0 40 IKAB Cc1c(C=O)c2ccccc2n1C(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 226766253 ZVBWDVHHAMBTLH-UHFFFAOYSA-N 442.696 6.127 0 40 IKAB CC(C)(C)[C@@H]1CCC(=O)[C@H]([C@]2(O)C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)C1 227056192 KWLHNLSVNFCTMO-CVBYOTHMSA-N 425.956 5.106 0 40 IKAB O=C1[C@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc2ccccc12 247777356 YAFPRMDPAABEAK-DNZWLJDLSA-N 429.519 6.083 0 40 IKAB CCNc1nc(C)c(C(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)s1 257239662 HQHFNMMTOYPCAN-MRXNPFEDSA-N 439.560 5.099 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4ccc5ncccc5c4)C3)c2)cc1 257247114 IXNUAYVRXCNFHK-QHCPKHFHSA-N 437.543 5.634 0 40 IKAB CCOc1ccccc1-c1ccc(C(=O)O)c(COc2cccc(Br)c2)n1 257266851 MEVSABYGXUNMOD-UHFFFAOYSA-N 428.282 5.187 0 40 IKAB CCCc1ccc(OCCCc2nc(C(C)C)c(-c3ccccc3F)cc2C(=O)O)cc1 257292038 QJRKWXDPQJYQLW-UHFFFAOYSA-N 435.539 6.673 0 40 IKAB Cc1ccc(COc2ccc(Cl)cc2[C@@H]2SCC(=O)N2c2ccc(Cl)cc2)cc1 408557219 NSOPWLYTGSZUIZ-QHCPKHFHSA-N 444.383 6.659 0 40 IKAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1C 408620282 JARHOIFYCQDZMI-UHFFFAOYSA-N 430.913 5.200 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)cc(C)c1Cl 408703435 RTDHJISOLIEJGO-AWEZNQCLSA-N 446.827 6.081 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccc(F)cc3)cc2)C(=O)O1 409005260 TYXKDSNJFPHIKS-MTJSOVHGSA-N 437.854 5.411 0 40 IKAB Clc1ccccc1COc1ccc(CNc2ccccc2Cl)cc1Br 409179014 PHQQHFFFVDEMSX-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)cc2C)nc1-c1ccc(Cl)cc1 409205625 DFQJBWUZGLEKFX-UHFFFAOYSA-N 440.996 6.634 0 40 IKAB CCOc1cc(CNc2ccc(OC)cc2)ccc1OCC(=O)Nc1cccc(C)c1C 409375976 RPJCWFUQBZMADT-UHFFFAOYSA-N 434.536 5.340 0 40 IKAB CC(=O)N1CC2=C(C1=O)[C@@H](c1ccc(Cl)cc1)c1cn(CCC(C)C)c3cccc(c13)N2 524734645 XUMMOBJDHDPRKC-QHCPKHFHSA-N 447.966 5.541 0 40 IKAB CN(C(=O)c1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCC[C@@H](Oc2ccccc2)[C@@H]1O 585274762 ZERJWHGAYZGQGV-KJXAQDMKSA-N 425.912 5.033 0 40 IKAB CC(=O)N1CCCCCCCN(C(=O)c2ccc(C)c(-n3cccn3)c2)Cc2ccccc21 643553347 NNDOVZKJUMHOAT-UHFFFAOYSA-N 444.579 5.140 0 40 IKAB CCN(C(=O)c1c[nH]nc1C1CCC(CNC(=O)CC2CCCC2)CC1)c1ccccc1 2037834445 FWZCQVCCVKLGEZ-UHFFFAOYSA-N 436.600 5.047 0 40 IKAB CSc1ccccc1NC(=O)c1cc2n(n1)[C@@H](C(F)(F)F)C[C@H](c1ccccc1)N2 673910 MEDGTNVTZGDPBK-CRAIPNDOSA-N 432.471 5.518 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3c(C)ccc(C)c3[nH]c2=O)C[C@@H]2CCCO2)c(C)c1 885054 SZKIIRGLVMPISF-NRFANRHFSA-N 449.620 5.140 0 40 IKAB O=C1N/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)C(=O)N1c1cccc(Cl)c1 1106141 VCHFFMTYVGGDMR-BOPFTXTBSA-N 432.785 5.716 0 40 IKAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(Br)cc2)N(c2ccccc2)C3=O)cc1 1279218 JWOXGBPNHNPCOG-QHCPKHFHSA-N 444.332 5.897 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccccc1)C(C)(C)C(=O)Nc1ccc(N(C)C)cc1 1410264 IGAGZBNFPXLRQS-UHFFFAOYSA-N 443.591 5.050 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c3)nc2c1 1839330 CWSCLXQUBKJIND-SNVBAGLBSA-N 446.161 6.970 0 40 IKAB CSc1nc2sc3c(c2c2nnc(SCC(=O)c4ccc(Cl)cc4)n12)CCC3 2260366 VFPMXCMJCMOLRA-UHFFFAOYSA-N 447.010 5.178 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccccc2F)o1 2374901 ZYZYKNZCQQJEIX-SFHVURJKSA-N 429.517 5.310 0 40 IKAB CCc1ccc(Nc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1 2445774 CHYRZCFWFRQOGZ-UHFFFAOYSA-N 432.571 6.910 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1)c1ccc(Cl)cc1 2449410 ILGBBASQWKHZMX-UHFFFAOYSA-N 440.355 6.216 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1Cc1ccccc1)NCCC1=CCCCC1 2662310 KZHVZFCIHYQPEX-UHFFFAOYSA-N 438.622 5.154 0 40 IKAB Fc1ccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc4c(cc32)OCO4)cc1 2690328 YBZONIKVCBICTB-UHFFFAOYSA-N 431.854 5.773 0 40 IKAB Cn1nc(CSc2ccc(Cl)cc2)c(CSc2cccc(Cl)c2)c1Cl 3105795 FVCFVCDWNLOPOY-UHFFFAOYSA-N 429.825 6.965 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3Cc3ccccc3)cccc2c1=O 3325698 HFMZEGBJTHIOHB-UHFFFAOYSA-N 445.518 6.612 0 40 IKAB O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1)[C@H](c1ccccc1)N(c1ccccc1)[C@H]2c1ccccc1 4822479 ZVHRVPRHMLWDIV-PUHABZHSSA-N 444.534 5.795 0 40 IKAB CCCc1nc2ccccc2n1CC(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 5919353 KFRMKNMSAHSOIY-JOCHJYFZSA-N 446.938 5.613 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccs4)cc3s2)cc1 8673909 BLHGKCZVKHCGSO-UHFFFAOYSA-N 439.587 5.649 0 40 IKAB aggregator O=C(Oc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4ccco4)=NN32)cc1)c1ccccc1 8717625 QSLDPHPBAYCTKB-JYFHCDHNSA-N 436.467 5.741 0 40 IKAB Cc1ccccc1N1C[C@H](c2nc3ccccc3n2CCCOc2ccccc2)CC1=O 8828210 YKCHLDUCMFSSJT-OAQYLSRUSA-N 425.532 5.334 0 40 IKAB CCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(C)c(C)c2)cc1 8836418 SFMPHCWYCFVJAH-UHFFFAOYSA-N 448.548 5.190 0 40 IKAB COc1ccc(-c2csc(-c3c(N)c(C(=O)c4ccc(C)cc4)n4ccccc34)n2)cc1 8844893 RIMDLUMIFKTRGP-UHFFFAOYSA-N 439.540 5.860 0 40 IKAB CCOc1ccc(-c2nnc(SCc3csc(-c4cccc(OC)c4)n3)o2)cc1 8943291 XKLXURLDIPZSCA-UHFFFAOYSA-N 425.535 5.560 0 40 IKAB Cc1nc(-c2ccc(Cl)cc2)nc2sc3c(=O)n(CCCc4ccccc4)cnc3c12 9047669 OKEGSOYEPPHTIZ-UHFFFAOYSA-N 446.963 5.663 0 40 IKAB CC(C)(C)c1ccc(-c2nc3cc(NC(=O)CC45CC6CC(CC(C6)C4)C5)ccc3o2)cc1 9189845 LJVOMCSJDKCGGD-UHFFFAOYSA-N 442.603 7.337 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C\c3ccc(-c4ccc(Cl)cc4Cl)o3)C(=O)O2)cc1 9316956 AMKSKRIRNTULCB-MOSHPQCFSA-N 440.326 6.895 0 40 IKAB COc1ccccc1Oc1c(C)nc(N)nc1-c1ccc(OCc2ccccc2)cc1O 9345326 NFICJRFQFDWCAB-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB biogenic CC(C)[C@@H](NC(=O)c1ccccc1)c1nc2ccccc2n1Cc1c(F)cccc1Cl 9379964 KMAOUSXEXYHBCK-HSZRJFAPSA-N 435.930 6.004 0 40 IKAB O=C(COc1ccc(Cl)cc1)Oc1cc(-c2ccc(F)cc2)c2oc(=O)sc2c1 9430725 CRYYYBSRCGZBBP-UHFFFAOYSA-N 430.840 5.298 0 40 IKAB CCOc1cc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)cc(OCC)c1OCC 9434133 IMDKBRZUNQMKTO-UHFFFAOYSA-N 445.519 5.678 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@H]1c1ccccc1 9461459 KQEXPQCLPQQHQR-GOTSBHOMSA-N 442.519 5.699 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccc(C)cc2)cc1 9644272 LMHJUELXOQXHBR-HSZRJFAPSA-N 433.602 5.801 0 40 IKAB Cc1nn2c(c1-c1ccc(Cl)cc1)N=C(c1ccc3ccccc3c1)C[C@@H]2c1ccccc1 10075178 YJRLGWRRPQLLGY-HHHXNRCGSA-N 447.969 7.779 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(COc2ccccc2Cl)o1 12676442 DOBHVEXLRNGEGN-ZDUSSCGKSA-N 427.913 5.455 0 40 IKAB O=C(O)c1ccc(-n2c(/C=C/c3ccccc3Br)nc3ccccc3c2=O)cc1 13087053 WGLVKWUNQBVNPP-SDNWHVSQSA-N 447.288 5.017 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1Cl)c1c[nH]c2ccccc12 13129044 GJZSHMRCPSRUAD-UHFFFAOYSA-N 445.931 5.495 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccc(-n4nc(C)c(Cl)c4C)cc3)n2)cc1 13165357 SGLFZCLGMZJUNM-UHFFFAOYSA-N 438.940 5.527 0 40 IKAB Cc1nc2sc3c(=O)n(-c4cccc(Cl)c4)c(Cl)nc3c2c2c1COC(C)(C)C2 13540020 NWTUQCNHVCZEHS-UHFFFAOYSA-N 446.359 5.462 0 40 IKAB O=C(COC(=O)c1c2c(nc3ccccc13)CCCCC2)c1ccc(-c2ccccc2)cc1 13575227 NCEGZIVVTHVGNT-UHFFFAOYSA-N 435.523 6.210 0 40 IKAB COc1cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)ccc1OC(=O)c1ccc(C)cc1 13925310 VZUKWZVXSMOICJ-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB Cc1cccc(OCCSc2nc3ccc(NC(=O)CCc4ccccc4)cc3s2)c1 15832828 KCJHXNAMUKRYDV-UHFFFAOYSA-N 448.613 6.347 0 40 IKAB COc1ccc(C2=Nc3c(-c4ccc(F)cc4)c(C)nn3[C@H](c3ccco3)C2)cc1OC 17097473 JLZYWFOFQQPUMK-FQEVSTJZSA-N 431.467 5.722 0 40 IKAB Cc1ccc(-c2csc(N3N=C(c4ccc5c(c4)CCCC5)C[C@@H]3c3ccccc3)n2)cc1 19851167 TYAVABCAWKJJEF-MUUNZHRXSA-N 449.623 7.353 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(-c4ccc(CO)o4)c(C)c3)o2)cc1Cl 20145505 JONFXLXQDMAVAB-XYOKQWHBSA-N 447.918 6.621 0 40 IKAB Cc1ccc(N(CC(=O)Nc2cccc(Cl)c2C)S(=O)(=O)c2ccc(C)cc2)cc1 20234953 LUEAKBNHWAIRCJ-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CC(C)(CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 22074134 BUTBJGAUDIZRNU-UHFFFAOYSA-N 433.173 5.195 0 40 IKAB CCCCc1ccc2nc(NC(=S)NC(=O)c3ccc(O[C@@H](C)CC)cc3)sc2c1 32119073 ZOTLFTBMSTVGHX-HNNXBMFYSA-N 441.622 5.943 0 40 IKAB C[C@H](Sc1ncc(-c2ccccc2)n1Cc1ccco1)c1nc2ccccc2c(=O)[nH]1 32876434 ZWOOXTISLBSIRJ-INIZCTEOSA-N 428.517 5.281 0 40 IKAB C[C@@H](NS(=O)(=O)c1ccc(Cl)s1)c1ccc(NC(=O)Nc2ccccc2)cc1 32932863 MFQZNPIFVDFISG-CYBMUJFWSA-N 435.958 5.085 0 40 IKAB CN(C(=O)COC(=O)c1cc(-c2ccc(Cl)s2)nc2ccccc12)C1CCCCC1 34793960 RWTCTQVJBJUORW-UHFFFAOYSA-N 442.968 5.565 0 40 IKAB CC(C)n1nc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2c1=O 36798716 OFEIMYHDFLNBDV-UHFFFAOYSA-N 443.347 5.267 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 37100519 YDDJPPMOIZOORL-AREMUKBSSA-N 443.978 5.876 0 40 IKAB CCn1c(SCC(=O)Nc2cccc(C)c2C)nc2c(-c3ccccc3)csc2c1=O 38486774 KAIPDAUAIGHLRL-UHFFFAOYSA-N 449.601 5.493 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccc(C)c(C)c2)c1)c1ccccc1 38755911 HJLYMTIXRGYAFC-HSZRJFAPSA-N 436.577 5.294 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 38851541 SGEKAWDWAMZKHF-NRFANRHFSA-N 444.644 6.772 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCc3ccc(CN4CCCCC4)cc3)cc2)cc1 44873452 IRKFIKWWUZWFSE-UHFFFAOYSA-N 444.644 6.203 0 40 IKAB O=C1Nc2c(Cl)cc(Cl)cc2[C@@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 51330293 NLNANYATVPQJFK-HRAATJIYSA-N 442.327 5.404 0 40 IKAB CC(C)c1ccc(OCC(=O)NCc2ccc(-c3ccc(Br)cc3)o2)cc1 57317059 HFSQCUGFYGBBRS-UHFFFAOYSA-N 428.326 5.528 0 40 IKAB Brc1ccc(CNc2nc3c(-c4ccccc4)nnn3c3ccccc23)cc1 67262199 PYNFGFLNCFPFPS-UHFFFAOYSA-N 430.309 5.319 0 40 IKAB CC(C)CC(=O)N1CCC(Cc2ccccc2-c2cccs2)(C(=O)NC(C)C)CC1 72345065 XVUVVKAZHRWLQX-UHFFFAOYSA-N 426.626 5.137 0 40 IKAB Cc1ccccc1NC(=O)CCc1nc(CSc2nc3cc(Cl)ccc3o2)no1 95481943 QPNQVYQTYJHVNO-UHFFFAOYSA-N 428.901 5.036 0 40 IKAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@@H](c1cccs1)N1CCN(c2ccccc2)CC1 107784716 JRQZVLKOLGGCAH-MBSDFSHPSA-N 440.012 5.083 0 40 IKAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Br)cc1 222887016 CVOPEAXXMBQIBF-VQTJNVASSA-N 441.398 5.017 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccc(C(C)C)cc1 223067399 LWVLQYQCDJRTCQ-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 223651418 AHVCENCDOFXAAN-MHZLTWQESA-N 444.619 5.805 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2C)c1 224117871 LNKNCAVATSXLFW-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCCC3)c2C)cc1 224200284 SWZXUHJJTLHHEF-CLJLJLNGSA-N 444.648 6.491 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccn2)cc1 224357404 ANYBDNXCVJZMTL-LOSJGSFVSA-N 439.588 5.568 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccccc3Oc3ccccc3)o2)cc1 224862435 KPSSWIASWAELCC-UHFFFAOYSA-N 428.488 6.104 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1nnc(SCc2ccc(F)cc2)s1 224994008 UCZSVBYHQUTAMR-UHFFFAOYSA-N 437.949 5.419 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1ccccc1Cl 225014855 KYFJJUFLJMAPNJ-RTBURBONSA-N 447.044 5.214 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225664266 NINRTMZXLKOOEL-DRLORSAXSA-N 430.633 5.501 0 40 IKAB Cc1cccc([C@@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)c1 225701067 WVFROXGQPDUWDV-VWLOTQADSA-N 429.589 5.506 0 40 IKAB Cc1cc(N)cc(Cl)c1NC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 227146072 QWXBKQSJZPTTEO-QPJJXVBHSA-N 449.707 6.044 0 40 IKAB O=C(NCC[C@@H]1CCCCN1C(=O)C(c1ccccc1)c1ccccc1)c1ccccc1 257236112 HAUTYNNBRASVNB-VWLOTQADSA-N 426.560 5.020 0 40 IKAB COc1cccc2[nH]c(C(=O)N3CCC[C@H](c4ccc(Cc5cccc(C)c5)cn4)C3)cc12 257323923 WMLCRWBSXKLRQT-QFIPXVFZSA-N 439.559 5.491 0 40 IKAB CCCOC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)cc1 408572523 JFFDWEINFPCPMR-FYWRMAATSA-N 434.517 5.040 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4c(C)cccc4C)C3)cc2)cc1C 408638350 BZERLXYMSMZQLX-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3ccc(Br)cc3)nn2-c2ccccc2C)cc1 408693837 FTNYFEWBRZLGKL-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)s1)c1cccc(Cl)c1 408826781 KTZDWJLSLODDRG-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2cccc(F)c2)C1=O 409069311 MJKUVOUOFQIUHI-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB O=C(Cn1cc(/C=C2\Sc3ccccc3NC2=O)c2ccccc21)Nc1ccc(F)cc1 409104414 ZJXVHWCDRQXNCB-QRVIBDJDSA-N 443.503 5.504 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2c(Cl)cccc2Cl)C1=O 409163881 ZAXNZOKVHKJHRN-CXUHLZMHSA-N 435.332 5.285 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O)Nc1ccccc1Cl 409242477 VFFUPJHBSGOGAM-VIZOYTHASA-N 441.723 5.322 0 40 IKAB CCc1ccc(O[C@H](C)c2nnc(SCC(=O)Nc3c(C)cc(C)cc3C)n2C)cc1 409335169 ZCCKPUDNAJZWEO-GOSISDBHSA-N 438.597 5.174 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc(Cl)cc3)ccc2Cl)cc1C 409383728 CUFVOXOFULTMKT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(=O)(=O)c1cc(Cl)ccc1C 585151834 URIJFAFGSBMRQJ-UHFFFAOYSA-N 429.954 5.429 0 40 IKAB Brc1c(-c2nc(-c3ccccc3)nc(-c3ccccc3)n2)ccc2ccccc12 1776011396 GSOFUHOPEHYQGN-UHFFFAOYSA-N 438.328 6.788 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(F)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 847189 PTMHGGAKXWVTPH-UHFFFAOYSA-N 432.838 6.800 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3ccc(F)cc3)n2-c2ccccc2)cc1 876602 LDWBYHUPIUJTJZ-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2cccs2)cc(C(F)(F)F)n1 901719 JFCYNXCSUHQSDO-GFCCVEGCSA-N 435.496 5.294 0 40 IKAB COc1ccc2nc(SCC(=O)N(C)c3nc(-c4ccccc4)cs3)c(C)cc2c1 933016 HVFXDMADODQBRU-UHFFFAOYSA-N 435.574 5.430 0 40 IKAB Cc1ccc([C@H](C(=O)NCc2ccco2)N(C(=O)Cc2cccs2)c2ccccc2C)o1 1376682 WFQSYHIKVKRHIR-XMMPIXPASA-N 448.544 5.184 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OC(=O)c4ccc(OC)c(OC)c4)ccc3c2=O)cc1 1447937 FNTXYAPJQMVTOF-UHFFFAOYSA-N 446.455 5.013 0 40 IKAB biogenic c1ccc(N2CCN(c3ccccc3)C2=C2N(c3ccccc3)CCN2c2ccccc2)cc1 1723333 PIKIZMYRKVCCBT-UHFFFAOYSA-N 444.582 6.167 0 40 IKAB Cc1ccc2c(c1)N(C(=O)c1cccc3ccccc13)C(C)(C)c1ssc(=S)c1-2 2217558 PRZBKCXJMYTGCT-UHFFFAOYSA-N 433.623 7.563 0 40 IKAB Cc1ccc(-c2nn(CCC(=O)Nc3ccc4ccccc4c3)c(=O)c3ccccc23)cc1 2259293 NFVIANCMAGSRRQ-UHFFFAOYSA-N 433.511 5.554 0 40 IKAB COc1cccc(C(=O)N2c3ccccc3[C@@H](N(C(=O)C(C)C)c3ccccc3)C[C@H]2C)c1 2290224 URKSXFTZAQULDY-IBVKSMDESA-N 442.559 5.865 0 40 IKAB CSc1nc(NCc2ccco2)c2sc3nc(-c4ccccc4)c4c(c3c2n1)CCC4 2419857 OTPCVBDHLNYUSF-UHFFFAOYSA-N 444.585 6.322 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)c1 2703874 DOHXTASUIICAML-OAQYLSRUSA-N 446.528 5.405 0 40 IKAB COc1ccc(/N=c2\oc3c(OC)cccc3cc2C(=O)Nc2nccs2)cc1Cl 2951403 NNHJDEPBUUMSFT-GFMRDNFCSA-N 441.896 5.045 0 40 IKAB O=C(Nc1nc2c(s1)CSc1ccccc1-2)c1ccc(C(=O)c2ccccc2)cc1 3192459 LSAZTICJCOBXMW-UHFFFAOYSA-N 428.538 5.899 0 40 IKAB O=C(CSc1nnc(SCc2cccc3ccccc23)s1)c1ccc(Cl)cc1 3284808 CJDRXEWJYBBKFS-UHFFFAOYSA-N 443.018 6.612 0 40 IKAB Clc1ccc(CSc2nnc(COc3ccccc3)n2Cc2ccco2)cc1Cl 3295780 YCHAWFJMIIQCRY-UHFFFAOYSA-N 446.359 6.098 0 40 IKAB Cc1ccc(-c2nc(C)sc2CC(=O)NCC2(N3CCCCC3)CCCCC2)cc1 3310406 FCEIPTXLHKNWGH-UHFFFAOYSA-N 425.642 5.274 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4551521 MFUGQVAFBLZGIH-UHFFFAOYSA-N 425.532 6.295 0 40 IKAB CCOc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 5949459 NOAMUBWLPOPDAM-UHFFFAOYSA-N 433.558 5.489 0 40 IKAB CCc1cccc(CC)c1NC(=O)CSc1nnc(C2CCCCC2)n1-c1ccccc1 6135400 BKWQDUXLAWYHIQ-UHFFFAOYSA-N 448.636 6.171 0 40 IKAB C[C@H](Oc1cc(Cl)c(Cl)cc1Cl)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2 8452271 BRCSGKDVBDYDHH-LBPRGKRZSA-N 432.734 6.624 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)cc1 8788503 KTRBZTPNLADXEQ-UHFFFAOYSA-N 425.966 6.051 0 40 IKAB CCc1ccc(Cc2cnc(NC(=O)c3ccc4noc(-c5ccccc5)c4c3)s2)cc1 8819041 MBPHWLSYOQVEPR-UHFFFAOYSA-N 439.540 6.357 0 40 IKAB O=C(Nc1nnc(CSc2ccc(Cl)cc2)s1)Nc1ccc(Cl)cc1Cl 9065636 ZALSZJVTNHTGEC-UHFFFAOYSA-N 445.784 6.435 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(Cc3cccs3)n2C)c2ccccc2)c1 9125891 CZOLQTCRRNJBLK-JOCHJYFZSA-N 448.617 5.556 0 40 IKAB Cc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 9250046 PFRRQMUDNGXIRV-UHFFFAOYSA-N 433.577 5.607 0 40 IKAB Cc1cc(C)c(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 9319144 MCAJYCWBANOJCU-XWGVYQGASA-N 446.934 5.316 0 40 IKAB CC(=O)c1cccc(NCC(=O)N2N=C(c3cc4ccccc4o3)C[C@H]2c2ccco2)c1 9469945 UXJHZQCVIJNFAP-NRFANRHFSA-N 427.460 5.018 0 40 IKAB CC(C)n1c(S[C@@H](C)C(=O)Nc2ccc(F)cc2F)nnc1-c1cc2ccccc2o1 9595199 AFDZRLQAXJJADX-ZDUSSCGKSA-N 442.491 5.670 0 40 IKAB CCc1ccc(-c2nc(-c3ccc(C)cc3)c(SCC(=O)NCc3ccco3)[nH]2)cc1 9674109 OGRJLTANAUHQSN-UHFFFAOYSA-N 431.561 5.616 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)Nc1ccc(O)c(C(=O)O)c1 9849428 TUVOEWJVKAFMDF-UHFFFAOYSA-N 446.484 5.143 0 40 IKAB CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@@H]2CCSc3ccccc32)cs1 9959098 JOTOIGPMKCXAAQ-YVNCXZRQSA-N 435.574 5.194 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4cc5ccccc5o4)ccc3o2)cc(OC)c1OC 10120224 CSUIIEOTNKUWET-UHFFFAOYSA-N 444.443 5.519 0 40 IKAB COc1ccc(COc2ccc3oc(=O)c(-c4ccc(OC)c(OC)c4)c(C)c3c2)cc1 11866220 PVQHUEPJARDFKW-UHFFFAOYSA-N 432.472 5.373 0 40 IKAB biogenic COc1cccc(Oc2cnc(N)nc2-c2ccc(OCc3ccccc3C)cc2O)c1 11866367 IPIXUWSNSNJFBN-UHFFFAOYSA-N 429.476 5.120 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(COc3ccccc3Cl)o2)cc1 12676929 KHGNTIAOPNOYDD-AWEZNQCLSA-N 431.945 5.546 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3)n2Cc2ccco2)c(C)n1C1CC1 12677082 RXZHPMVPDAISSN-UHFFFAOYSA-N 432.549 5.315 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(C3=CSC4=NCCCN34)cc2)ccc1OC(F)F 12775921 ASIBKVFZRYZXNO-UHFFFAOYSA-N 445.491 5.046 0 40 IKAB CCCCc1nc(Nc2ccc(Cl)c(Cl)c2)c2nnn(Cc3ccccc3)c2n1 13086570 QNXNEZYGLJALOM-UHFFFAOYSA-N 427.339 5.663 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)nc2ccccc12)N1CCN(Cc2ccccc2)CC1 13097984 XSVUTCULWFWJEI-UHFFFAOYSA-N 441.962 5.513 0 40 IKAB CCCOc1ccc(-c2csc(NC(=O)Cc3nc(-c4ccccc4)oc3C)n2)cc1 14899199 AWQHKPLXDHDTKM-UHFFFAOYSA-N 433.533 5.744 0 40 IKAB Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCCCC1)(Sc1ccccc1)CO2 15229087 VLKXHQUBUFTLAX-QFIPXVFZSA-N 446.410 5.350 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3c(-c4c(F)cccc4Cl)noc3C)CC2)c1C 15964238 GTLFOUBCMQFEGT-UHFFFAOYSA-N 427.907 5.022 0 40 IKAB O=C(Nc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1)c1ccc(Cl)cc1Cl 16157638 BYRKADXMNWTBBC-UHFFFAOYSA-N 426.514 5.554 0 40 IKAB COc1cc(CNCCc2ccc(F)cc2)ccc1OCc1c(Cl)cccc1Cl 16196263 QOFBHJYABOLTQF-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB COc1cccc(CN[C@@H](C)C23CC4CC(CC(C4)C2)C3)c1OCc1ccc(Cl)cc1 16576203 OTSCNXVZDJEXKJ-DPDSROAVSA-N 440.027 6.622 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1nc2c(C)ccc(C)c2s1 19631355 LKHGLXZIIIKREA-UHFFFAOYSA-N 440.377 5.355 0 40 IKAB COc1cc(C)ccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccc(F)cc2)c(C)n1 19765107 XVYAGNZWTPVULG-HSZRJFAPSA-N 448.542 5.221 0 40 IKAB Cc1ccccc1NC(=O)c1ccc(Cl)c(NC(=O)[C@H](C)c2ccc(CC(C)C)cc2)c1 19881499 MKJBRTFLQVQNBR-LJQANCHMSA-N 448.994 6.841 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)cc1 19932317 JWJBIPAAOOXCGZ-UHFFFAOYSA-N 426.343 6.774 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2cccc(Cl)c2Cl)o1 20140141 HLEXEEFJRYBMLN-UHFFFAOYSA-N 440.666 5.866 0 40 IKAB CCc1ccc(-n2nc3ccc(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 20610195 LKKLZUPCSKQDQU-UHFFFAOYSA-N 428.536 5.298 0 40 IKAB Cc1ccc([C@@H](C)Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)o1 24600934 WCDMYJNBXRZYNN-OAHLLOKOSA-N 440.594 5.327 0 40 IKAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H]1C(=O)Nc1ccc(Cl)cc1Cl 26460651 AYNHOYAJONSUEY-QGZVFWFLSA-N 436.364 5.621 0 40 IKAB COc1ccc(N2C[C@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)c(OC)c1 27525167 RTNNIXOMVFHSTC-NDEPHWFRSA-N 443.567 5.021 0 40 IKAB C[C@H](NC(=O)c1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1)c1ccccc1 28539289 XZHJBLCQKAQREB-FQEVSTJZSA-N 429.523 6.455 0 40 IKAB Cc1ccccc1-c1noc(Cc2nc(-c3cc4cc(Cl)ccc4oc3=O)cs2)n1 33171513 OMTIFGJZSJZTEY-UHFFFAOYSA-N 435.892 5.519 0 40 IKAB CCn1c(COc2c(C)cccc2C)nnc1SCC(=O)Nc1ccc(F)c(Cl)c1 33636127 WUADTKLPBIFISA-UHFFFAOYSA-N 448.951 5.017 0 40 IKAB O=C1CCCCCCCCc2ccc(s2)C(=O)CCCCCCCCc2ccc1s2 35325329 QLIPHHQNPYSERY-UHFFFAOYSA-N 444.706 8.435 0 40 IKAB Cc1cccc(NC2=NC(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)S2)c1C 35646310 XVWIHLLXRCFTGR-JAIQZWGSSA-N 443.355 6.953 0 40 IKAB O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N(Cc1ccccc1)Cc1ccccc1 38833080 LTBQCGCJLNACIW-RUZDIDTESA-N 432.995 5.781 0 40 IKAB O=C(N[C@@H](Cc1cc(F)cc(Cl)c1)C(=O)O)OCC1c2ccccc2-c2ccccc21 44320953 BTAOMHIITAZQJZ-QFIPXVFZSA-N 439.870 5.014 0 40 IKAB Cc1csc(SCC2CCN(C(=O)c3c(-c4ccccc4Cl)noc3C)CC2)n1 90608110 UQXLQWHVHKUIEW-UHFFFAOYSA-N 448.013 5.713 0 40 IKAB Cc1ccccc1NC(=O)Cn1cc(C(=O)C(F)(F)F)c2cc(Br)ccc21 96193981 RVDGJXBJAQDAOO-UHFFFAOYSA-N 439.231 5.096 0 40 IKAB CN1C(=O)c2cc(NC(=O)c3c(Cl)cccc3Cl)ccc2Sc2ncccc21 96231322 BOLCHSGMBGTNRO-UHFFFAOYSA-N 430.316 5.382 0 40 IKAB CCCCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N/c1ccccc1 100858209 STCWQGFAPWPUOK-BYYHNAKLSA-N 441.600 6.892 0 40 IKAB COc1ccccc1Cn1cc2c(-c3ccc(C)cc3)nnc-2c2cc(OC)c(OC)cc21 101489205 ODJJQIQEOYIQKY-UHFFFAOYSA-N 439.515 5.586 0 40 IKAB O=C(CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2)Oc1ccccc1-c1ccccc1 102204493 GNZFEYIGURCZTO-RDNZODCXSA-N 425.366 6.383 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1cccc(Cl)c1 107033080 XEJFUSDMRLPXIB-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)COc1ccccc1C(C)C 223080522 OJYJQNNMDKFDCU-RBUKOAKNSA-N 445.003 5.174 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223774847 GWQBTMNZDXRNGH-DNQXCXABSA-N 427.529 5.527 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCCC1)Nc1ccc(N2CCCCC2)nc1 223998227 XWBANQSHLLFBMQ-UHFFFAOYSA-N 443.060 5.914 0 40 IKAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)c(Cl)c1 224074504 VGHKCCVYBIHUAR-QFIPXVFZSA-N 449.422 5.302 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 224109132 OWXKDTKBLMFESI-JOCHJYFZSA-N 442.603 5.291 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224156645 JOZYGIXMUSPUAR-UHFFFAOYSA-N 440.540 5.028 0 40 IKAB CCc1ccc(NC(=O)c2ccc(OC)c(COc3ccc(-c4ccccc4)cc3)c2)cc1 224215946 IPBLIQMGCJIDOY-UHFFFAOYSA-N 437.539 6.756 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1C 224276239 MHIBPIVBZXPPMU-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1CSc1ccc(Cl)cc1 224348399 LAVQOPUIGBNNFU-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB Cc1ccccc1-n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Cl)cc1 224471820 AHTCWSACFDNWJE-ZEQRLZLVSA-N 444.991 6.011 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224887514 SKYFOGDMUJYRNK-UHFFFAOYSA-N 435.705 5.337 0 40 IKAB CCCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCCC2)cc1Cl 225558122 AFXUNUSNNKXTKL-UHFFFAOYSA-N 440.798 7.276 0 40 IKAB CC(C)(C)C(=O)N1CCC(Cc2ccc(-c3cccs3)cc2)(C(=O)N2CCCC2)CC1 257330807 XQDRORXGSRMPIK-UHFFFAOYSA-N 438.637 5.235 0 40 IKAB C[C@H]1CCCN(c2cc(Oc3ccccc3)nc(NC(=S)N[C@H](C)c3ccccc3)n2)C1 260707840 CEIBZGAVRNQCMG-RBUKOAKNSA-N 447.608 5.553 0 40 IKAB Cc1ccc(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)cc1C 408640313 ISQUXYSUOSITGX-CQSZACIVSA-N 435.749 5.019 0 40 IKAB Cc1ccc(-c2cc(C(=O)OCC(=O)Nc3cc(Cl)ccc3C)c3ccccc3n2)cc1 408648181 VSNOFMUEWNLOOX-UHFFFAOYSA-N 444.918 5.968 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@@H]2[C@@H](C1=O)C1(Cl)c3ccccc3C2(Cl)c2ccccc21 408656827 MLGVIFGJOQCYSG-ITYMFSOSSA-N 448.349 5.401 0 40 IKAB O=C(N[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703464 GCDHIJOPRAQGMH-MGUJFXTKSA-N 440.996 5.033 0 40 IKAB Cc1cc(C)c(NC(=O)CCCN(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c(C)c1 408705945 QVPNNKRMFSCDRI-UHFFFAOYSA-N 443.396 5.104 0 40 IKAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccc(OCc3ccccc3)cc2)S1 408806482 JIIMQNZECXEBLS-UHFFFAOYSA-N 431.537 5.346 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409063455 LCSDRQBWHBVOES-UHFFFAOYSA-N 432.951 5.806 0 40 IKAB Fc1ccc(-n2c(SCCOc3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409100732 RWHKYDIPGVJWTN-UHFFFAOYSA-N 425.916 5.898 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c[nH]c12 409150210 ASWWQBRPOUBFFN-ODLFYWEKSA-N 433.533 5.022 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 409247747 AYLKQLWIWJEPIH-HHHXNRCGSA-N 444.600 6.145 0 40 IKAB Cc1c(Br)cncc1-c1nc(-c2ccc(Oc3ccccc3F)c(F)c2)no1 1615610150 DNERZCVPCZRNOC-UHFFFAOYSA-N 444.235 5.940 0 40 IKAB COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 858011 JDURBBIMPRQARK-UHFFFAOYSA-N 442.559 5.180 0 40 IKAB Cc1cccc2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 1378257 RDBVANMCHNRAGH-UHFFFAOYSA-N 432.911 5.119 0 40 IKAB C[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)OCc1ccccc1Cl 1778550 QIYPBDGZBPLTQB-OLZOCXBDSA-N 432.998 5.694 0 40 IKAB Cc1ccc(OCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c(C(C)(C)C)c1 1792007 JYAAWEAMJYGQFE-UHFFFAOYSA-N 446.978 6.402 0 40 IKAB CCO[P@](=O)(SCC)SCc1nc(OCc2cccc(C(F)(F)F)c2)no1 2154322 MVTFLPGZVZTBFU-RUZDIDTESA-N 442.421 5.798 0 40 IKAB Cc1ccc(C)c(Cn2c(=O)c3ccccc3n3c(=S)sc(-c4ccccc4C)c23)c1 2693338 CVUXEITXEHWCJQ-UHFFFAOYSA-N 442.609 6.686 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(CSc3ccccc3)o2)sc2c1CCCC2 2708438 DKXZNHXHEYBMMW-UHFFFAOYSA-N 441.574 5.941 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c2sc(C(=O)NC[C@@H](c3ccccc3)N(C)C)cc12 3324809 IKMQWHYXUVGEQX-FQEVSTJZSA-N 438.984 5.082 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c(C)n1C1CC1 3332882 VVQZRTUDIHOACH-UHFFFAOYSA-N 443.576 5.117 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSc1nc(-c2ccco2)cc(C(F)(F)F)n1 8442729 INVDGZBXQXIRMU-UHFFFAOYSA-N 435.471 5.883 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)Nc3cccc(-c4cnc5ccccc5n4)c3)cc2)cc1 8451518 GNMXWJQSYHKWKN-UHFFFAOYSA-N 445.522 6.437 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1cc2nn(-c3ccccc3)nc2cc1Cl 8920586 SQRLXMTVWUDQTD-UHFFFAOYSA-N 428.879 5.245 0 40 IKAB CC1(C)C[C@]2(CCO1)Oc1ccccc1[C@@H]1CC(c3ccc(Br)s3)=NN12 9066591 DXEFUKFKUMSOOP-YWZLYKJASA-N 433.371 5.339 0 40 IKAB Cc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)c(C)cc3O)C(=O)N2Cc2cccnc2)cc1 9243777 CCTDKNRYPZBPTC-XMMPIXPASA-N 444.922 5.193 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3ccccc3Cl)n2-c2ccccc2)c1C 9309372 GQLQAXAHEBUQKX-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB Cc1cc2oc(=O)cc(COC(=O)c3ncc(Cl)c(Cl)c3Cl)c2cc1C(C)C 9315461 NSDGFFTVYTZDHG-UHFFFAOYSA-N 440.710 5.937 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)Nc3ccc(N4CCC(C)CC4)cc3)c(Cl)cc12 9410984 DVTDRVJSCPWOBO-UHFFFAOYSA-N 440.927 5.009 0 40 IKAB CCOc1ccc(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccc(Cl)cc2)cc1 9427466 UONAXVFEOPZDPQ-UHFFFAOYSA-N 446.934 5.736 0 40 IKAB O=C1C[C@@H](c2cc(Br)ccc2F)c2cc(Br)c3ccccc3c2N1 9559792 GXLIDDHKDVAJTF-ZDUSSCGKSA-N 449.117 5.978 0 40 IKAB COc1ccc(NC(=O)CSC2=NC(C)(C)N=C2c2ccc(Cl)cc2Cl)cc1 9599340 KKAWTEDQRIYAOW-UHFFFAOYSA-N 436.364 5.311 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccccc1S[C@@H]1CCS(=O)(=O)C1 9605382 YOXJYHHNHBKWEW-HXUWFJFHSA-N 439.558 5.010 0 40 IKAB O=C(CSc1nnc(-c2sc3ccccc3c2Cl)o1)C12CC3CC(CC(C3)C1)C2 9633506 RHDZQYACPHNLPR-UHFFFAOYSA-N 445.009 6.482 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](Sc1nnc(C)n1-c1ccccc1)c1ccccc1 9663908 GGGXVEOXRQNASH-QHCPKHFHSA-N 444.560 5.365 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)c1ccc(=O)n(Cc2ccc(C(F)(F)F)cc2)c1 10187987 QOWCFZNSPLZTBZ-UHFFFAOYSA-N 440.343 5.187 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(Cl)cc2s1 12140936 MGKACJRFCWZVJL-UHFFFAOYSA-N 441.906 5.567 0 40 IKAB COc1ccc([C@H]2Oc3c(OC)cccc3[C@@H]3CC(c4ccc(F)cc4)=NN32)cc1OC 12196774 TXROMJPSJISKAU-NBGIEHNGSA-N 434.467 5.094 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3nc2Cl)C(=O)c2cccc(F)c2)cc1 12482441 GHXAHAWLCMCRKS-UHFFFAOYSA-N 448.925 6.187 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c(C)c1 12488033 RPHJUCHSXDTHDP-UHFFFAOYSA-N 436.577 5.654 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H](C)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 12602893 LKQUJEYSMGDJAM-LAUBAEHRSA-N 447.966 5.579 0 40 IKAB CCc1ccc(-c2noc(CSc3nnc(-c4cccc(Br)c4)o3)n2)cc1 12791634 OTSKVPUCVDOYNO-UHFFFAOYSA-N 443.326 5.404 0 40 IKAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cc1 12993463 NZFNPQSXJFQPFB-UHFFFAOYSA-N 435.380 5.272 0 40 IKAB C[C@](Cc1nc2ccccc2s1)(C(=O)OCC(=O)Nc1ccc(F)cc1)c1ccccc1 13150387 AQHVYQOSLCNNCX-RUZDIDTESA-N 448.519 5.118 0 40 IKAB COc1cc([C@@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccccc1 13518269 WCETXBKHCDKONH-FQEVSTJZSA-N 425.488 5.138 0 40 IKAB Cc1ccc(C)c2sc(NC(=S)NC(=O)c3cccc(OCc4ccccc4)c3)nc12 14270815 QMRRPLCKXKCAFL-UHFFFAOYSA-N 447.585 5.619 0 40 IKAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)CCN2c3ccccc3Sc3ccccc32)[C@@H]1C 14357035 XQQRZJNAYJNLCY-GUDVDZBRSA-N 438.593 5.164 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 14405113 YFJXRUACSUULST-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB COc1cc(/C=C/C(=O)Oc2ccccc2-c2nc3ccccc3s2)ccc1OC(C)C 16043975 OMKFDRMSWSPBHV-FYWRMAATSA-N 445.540 6.378 0 40 IKAB Cc1nc2ccccc2nc1CNc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1 16265226 XQRGAJFEZYEUMJ-UHFFFAOYSA-N 449.514 5.159 0 40 IKAB CCCCCCNCc1cc(Br)c(OCc2ccccc2F)c(OCC)c1 16638169 NBYGMGLSIOJNCG-UHFFFAOYSA-N 438.381 6.236 0 40 IKAB Cc1ccccc1NC(=O)c1c(N)n(C(=O)c2ccc(Br)cc2)c2ccccc12 16807288 GJRFCECCKYHYIS-UHFFFAOYSA-N 448.320 5.235 0 40 IKAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc(-c2ccc(Br)cc2)o1 17094309 OLEBXVMOHVQXQV-UHFFFAOYSA-N 425.326 5.557 0 40 IKAB COc1ccc2cc(CN3CCC[C@H]([C@@H](NC(=O)C4CCC4)c4ccccn4)C3)ccc2c1 19563989 VNGZSACNXGYWPK-RPLLCQBOSA-N 443.591 5.113 0 40 IKAB Cc1cc(C)c(NC(=O)Cn2cnc3scc(-c4cccs4)c3c2=O)c(Cl)c1 19625144 NWDMPGMPBPEEPV-UHFFFAOYSA-N 429.954 5.095 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1cnc2sc3c(n2c1=O)CCCC3 20767696 AXTSEWJCVMNTSM-UHFFFAOYSA-N 433.558 5.038 0 40 IKAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1OCc1ccc(F)cc1 22110721 XEWHEHIYIXFMSR-UHFFFAOYSA-N 436.512 5.078 0 40 IKAB CCCC(=O)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 27028649 KKSUCLXVBSBCIJ-UHFFFAOYSA-N 442.559 6.411 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)c3cc(Cl)c(OC)c(Cl)c3)cs2)cc1 27994610 JMFIFNKJZHTNRA-UHFFFAOYSA-N 437.348 5.107 0 40 IKAB Cc1cccc(-c2nnc(SCC(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)o2)c1 33792864 XKUHJBNVWCPPLY-UHFFFAOYSA-N 442.953 5.553 0 40 IKAB O=C(c1ccc(Cl)cc1)[C@@H]1CN(C2CCCCC2)CC[C@]1(O)c1ccc(Cl)cc1 33850958 CPVHOEXRGVOAQJ-UPVQGACJSA-N 432.391 5.719 0 40 IKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@@H]2C3=CC[C@H](C(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371939 ZSRBLQKLRBWBML-LFCYOQHISA-N 430.629 6.425 0 40 IKAB CC(C)(C)NC(=O)[C@@H]1[C@H]2C[C@]3(Oc4ccc5ccccc5c42)N1c1ccccc1C3(C)C 38201530 CRSMIGCCDJDVOE-MPQSRKKISA-N 426.560 5.497 0 40 IKAB Cc1ccc(-c2nnc(CSc3nc(-c4cccs4)c(-c4cccs4)[nH]3)o2)cc1 40072653 JIPIWBPJWWLOSJ-UHFFFAOYSA-N 436.587 6.517 0 40 IKAB C[C@@H]([C@H]1CCC[C@H]1P(C1CCCCC1)C1CCCCC1)P(C(C)(C)C)C(C)(C)C 60291174 OUVCKUOWRWDEIS-FTBPSBKWSA-N 438.661 9.770 0 40 IKAB C[C@H](Nc1ccc(NC(=O)[C@@H]2CSCN2C(=O)c2ccccc2)cc1)c1ccccc1 65577395 KYSCZITWDIWJOI-MBSDFSHPSA-N 431.561 5.014 0 40 IKAB CCc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1 67245454 OQTHNDGRAUTWRT-UHFFFAOYSA-N 427.891 5.924 0 40 IKAB Cc1ccc(CN2C(=O)[C@](O)(CC(=O)c3ccc(Cl)cc3Cl)c3ccccc32)cc1 72193894 WHIOKINTASSRPX-DEOSSOPVSA-N 440.326 5.309 0 40 IKAB CCOc1cc(CN2C[C@@H](c3cc(C(F)F)[nH]n3)[C@H](c3ccccc3)C2)ccc1OC 72395570 OJONGWYPNUKOND-RBUKOAKNSA-N 427.495 5.138 0 40 IKAB C[C@H]1CCc2[nH]c3ccc(C(=O)Nc4ccc(-c5cn6ccsc6n5)cc4)cc3c2C1 89930067 CPASXRHKHCJPGU-HNNXBMFYSA-N 426.545 5.921 0 40 IKAB CCOc1cc(C(=O)N(C)c2ncc(-c3ccccc3)s2)ccc1OCc1cccnc1 89991003 QFVRZABUODGBRI-UHFFFAOYSA-N 445.544 5.459 0 40 IKAB CC(C)n1ccc2c(NC(=O)c3ccc(Cl)c(N4CCCCS4(=O)=O)c3)cccc21 95472139 YDLRQYWTGGIQBA-UHFFFAOYSA-N 445.972 5.058 0 40 IKAB COc1cccc([C@H]2C3=C(O)C[C@@H](c4ccccc4)CC3=Nc3ccccc3N2C(C)=O)c1 100971929 IAEIIBHELACHGY-KMRXNPHXSA-N 438.527 6.265 0 40 IKAB CCOc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccccc1 107043277 FIZBUBJECNIXAE-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3ccc(F)cc3)c(Br)c2)cc1 108169223 HMEXRQKKNUUADK-UHFFFAOYSA-N 443.316 5.526 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 223225318 DFJKFTRQRVNJMX-JOCHJYFZSA-N 426.626 5.118 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)cc(C)c1 223806464 XPPNGKJQPRKNSS-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)cc1 224144368 CYRGRNBFIZFSDL-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1c1ccccc1 224179657 XEUHSPQAQXDIFZ-XZOQPEGZSA-N 429.570 6.003 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)nc1 224292296 WKCXPAVREQTNLL-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 224864254 KYNPVACSIVUTJI-UHFFFAOYSA-N 448.881 5.936 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 225162746 YFCKQWPZYRRANB-NRFANRHFSA-N 435.395 5.178 0 40 IKAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)n1C 225366103 BIGVIGLVESRNFJ-ZEQRLZLVSA-N 432.593 5.227 0 40 IKAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cc(Cl)ccc3Oc3ccccc3)c2c1 225757647 HBXMGYUUWLHDAW-UHFFFAOYSA-N 432.907 5.703 0 40 IKAB C[C@H]1C[C@H](C)CN(c2ccc(N)cc2C(=O)Nc2c(Cl)cc(Cl)cc2Cl)C1 226324542 SAXBBVPBAYLCMR-RYUDHWBXSA-N 426.775 5.964 0 40 IKAB CCc1cccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)c1 252494270 NQFVZPMMJNBGHM-UHFFFAOYSA-N 444.560 5.020 0 40 IKAB O=C(c1ccccc1Nc1ccccc1)N1CCOC[C@@H](Cc2cccc3cnccc23)C1 257202338 ALIUOCKYNDKXMI-NRFANRHFSA-N 437.543 5.310 0 40 IKAB O=C(c1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccnc(-c2ccccc2)n1 257300325 RTVIQVRDUKRGCL-VWLOTQADSA-N 426.564 5.107 0 40 IKAB Cc1ccc(C(=O)O)c(OCC(=O)N(Cc2ccccc2)Cc2ccc(C(C)C)cc2)c1 257325549 WTLBLULTTCIZMK-UHFFFAOYSA-N 431.532 5.424 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2CNc2ccc(F)c(Cl)c2)c1 408613077 XHJWRDWNKGABRF-UHFFFAOYSA-N 433.310 6.071 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1C 408670870 YLMWEOQASFFINC-PJYWLYPCSA-N 448.349 5.401 0 40 IKAB Cc1ccccc1-n1nc(C(=O)Nc2ccc(Cl)c(Cl)c2)nc1-c1ccc(F)cc1 408698213 MFLQLXDCQBSNFL-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(C)c(Cl)c3)nc2-c2ccc(F)cc2)c(C)c1 408699157 RQHYMZIMABGHHT-UHFFFAOYSA-N 434.902 5.904 0 40 IKAB Cc1cccc(CSc2nc3ccc(N4C(=O)[C@@H]5[C@H]6C=C[C@@H](C6)[C@H]5C4=O)cc3s2)c1 408751481 ZXWCTUAPOODGHL-LVNJIZSUSA-N 432.570 5.209 0 40 IKAB COc1cc(-c2nc(O)c3c4c(sc3n2)CCCCCC4)ccc1OCc1ccccc1 408994687 ZPFYCVVIBIXJLM-UHFFFAOYSA-N 446.572 6.311 0 40 IKAB Oc1c(I)cc(Br)cc1-c1nc2ccccc2s1 409192019 SKCSYHLPIXGGTN-UHFFFAOYSA-N 432.080 5.036 0 40 IKAB CCOc1ccc(Cl)cc1/C=C1/SC(=O)N(CC(=O)Nc2cccc(C)c2C)C1=O 409358030 JTUXJFMVXVFLLM-YBFXNURJSA-N 444.940 5.031 0 40 IKAB COc1ccccc1Nc1cc(Nc2ccccc2OC)n(C(=O)c2ccc(F)cc2)n1 575442807 BNWPIYNWDJPIMY-UHFFFAOYSA-N 432.455 5.215 0 40 IKAB CC(=O)c1cc(C)cc2c1N(C(=O)CSc1nc3ccccc3s1)C(C)(C)C[C@H]2C 584906219 DUZXNMGLGLQVAV-OAHLLOKOSA-N 438.618 6.218 0 40 IKAB CCN(CC)C(=O)c1ccc2c(c1)Cc1cccc(c1)CN(C1CCC1)CCCCCO2 643579953 MJDRVNLDLHWDCC-UHFFFAOYSA-N 434.624 5.677 0 40 IKAB Cc1cccc2[nH]c(C(=O)N3CC[C@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)cc12 1848355213 NBOUIMLHZMEXRE-KRWDZBQOSA-N 448.954 5.104 0 40 IKAB Nc1c(C(=O)Nc2ccc(Cl)cc2F)sc2nc(-c3ccc4c(c3)OCO4)ccc12 661461 QTOMNAAHCKJOTM-UHFFFAOYSA-N 441.871 5.319 0 40 IKAB Cc1sc(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)c(C(N)=O)c1C 668982 VPTXOCUXXJWBNN-UHFFFAOYSA-N 441.965 5.646 0 40 IKAB Cc1ccc(-n2c(CNc3ccc(F)cc3)nnc2SCC(=O)c2ccccc2)cc1 925275 GQIFDGAGQKTDRI-UHFFFAOYSA-N 432.524 5.302 0 40 IKAB Cc1nc2c(cc1NC(=O)Nc1ccccc1Cl)nc(C)n2Cc1ccc(Cl)cc1 1338728 AAJFJGOGEKFIIF-UHFFFAOYSA-N 440.334 6.047 0 40 IKAB Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)C(F)(F)F)c2ccccc2F)s1 1365977 GATKBTATOPBDPS-SFHVURJKSA-N 442.478 5.281 0 40 IKAB Cc1oc2ccc(OC(=O)N(c3ccccc3)c3ccccc3)cc2c1C(=O)OC(C)C 1447874 MNWZSHGVIYSWGN-UHFFFAOYSA-N 429.472 6.644 0 40 IKAB biogenic CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)C(c1ccccc1)c1ccccc1 1924976 PKDNWRNANUFYEV-UHFFFAOYSA-N 441.552 6.362 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CNc3cccc(Br)c3)C2=O)cc1 2066248 OITZUFCQFINJSE-VCHYOVAHSA-N 431.355 5.678 0 40 IKAB CCOc1ccccc1Oc1c(C)oc2cc(OCc3cccc(OC)c3)ccc2c1=O 2105574 LCQKPKPYTBMSKI-UHFFFAOYSA-N 432.472 5.880 0 40 IKAB biogenic CC[C@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)Nc4ccccc4)c23)CO1 2228785 SYNCEUYXPQNKEY-OAQYLSRUSA-N 445.635 5.385 0 40 IKAB CCCCCNC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2309901 OTWBETMBVCCVNF-UHFFFAOYSA-N 441.457 5.095 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 2415082 OTNJZKCUWMEFEG-ABAIWWIYSA-N 446.400 6.281 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccccc2F)c1C 2546492 WNXVJYISMNLIJU-QHCPKHFHSA-N 431.536 6.353 0 40 IKAB CSc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cccs2)cc1 2707431 XWJJRFFVLPQTDN-FCHUYYIVSA-N 430.558 5.274 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)cc(C)c4)c3N2)cc1 3012737 PIIRWWPKKSDYLA-PMACEKPBSA-N 428.458 5.721 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)COC(=O)/C=C/c4ccc(F)cc4)cc3)sc2c1 3229746 HQGXBQYYHOLSOC-WLRTZDKTSA-N 446.503 5.606 0 40 IKAB O=C(COC(=O)c1cc(-c2ccco2)nc2ccccc12)Nc1ccccc1C(F)(F)F 3251082 CENHJPCIGDJZAK-UHFFFAOYSA-N 440.377 5.309 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)n1C)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 3263032 HALWWHWRJFVMAF-NSHDSACASA-N 440.878 5.274 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccccc3F)nnc2-c2ccccc2)cc1 3327681 ZYISPUMRNLYYGH-UHFFFAOYSA-N 435.524 5.643 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cc(C)cc2C)cc1 3655429 MQKYDPILEJDRRJ-UHFFFAOYSA-N 427.500 5.915 0 40 IKAB Cc1ccc(C)c(NC(=O)CN(c2ccc(Cl)cc2C)S(=O)(=O)c2ccccc2)c1 3661887 QJFBVFJNFVHMEO-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)Nc4ccc([C@@H](C)O)cc4)c3N2)cc1 4163404 DKNPZRUGYWSHSX-JSNMRZPZSA-N 444.457 5.157 0 40 IKAB COc1ccc(N[C@H](c2ccc(Br)cc2)[P@]2(=O)OCC[C@H](C)O2)cc1 8763956 OWKYCHXIPTVBLP-LIAIVYCXSA-N 426.247 5.587 0 40 IKAB Cc1ccc(CSc2nc3ccccc3n2C(=O)[C@H]2[C@@H](C=C(Cl)Cl)C2(C)C)cc1 8836036 UFHHJUYDSWAKDC-OXQOHEQNSA-N 445.415 6.868 0 40 IKAB Cc1ccc(-c2nnc(S[C@@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)o2)cc1 8897458 DQUGKLFRKJQTSG-GOSISDBHSA-N 441.940 5.012 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(-c4ccccc4F)n3C3CC3)cs2)cc1 8898998 OXWRCBKEOCBMFF-UHFFFAOYSA-N 438.553 5.844 0 40 IKAB Clc1ccc(/C=C2\CCC[C@@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1 8926206 AMGADLQGZRNVQK-INYGDSQJSA-N 433.382 7.794 0 40 IKAB CC(C)c1nc2sc3c(NCCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 9045670 WKXNRLSTYJVJPW-UHFFFAOYSA-N 432.593 5.869 0 40 IKAB Cc1ccc2c3c1C(=O)C(=O)N3C(C)(C)c1sn(-c3ccc(C(C)C)cc3)c(=S)c1-2 9303574 RDUFCLDYCCJIBH-UHFFFAOYSA-N 434.586 6.145 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CN(C)Cc3ccccc3N3CCCCC3)cs2)cc1 9378929 KJFSMUKZOJKGCN-UHFFFAOYSA-N 448.636 5.255 0 40 IKAB CCN(CC)C(=O)Oc1ccc2c(-c3cc4cc(Cl)ccc4oc3=O)cc(=O)oc2c1 9517228 BSYUZLGQTVTDRB-UHFFFAOYSA-N 439.851 5.060 0 40 IKAB biogenic COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2NC(=O)c2cccc(F)c2)c1 9518417 LORZAOFWVJKZKI-UHFFFAOYSA-N 434.423 5.094 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 9581017 RRBBCLSCEJCXEM-FQEVSTJZSA-N 448.935 5.346 0 40 IKAB COc1ccc(-c2[nH]c(-c3ccc(C)cc3)nc2SCC(=O)NCc2ccco2)cc1 9674129 DJRVXBAQZGWTQG-UHFFFAOYSA-N 433.533 5.062 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1C1CC1)NC(c1ccccc1)c1ccccc1 9684421 KYQMAYREXCJABG-UHFFFAOYSA-N 446.601 5.339 0 40 IKAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1cccc2ccccc12 9729989 MJSZZEXLCGULHB-SFHVURJKSA-N 442.588 5.327 0 40 IKAB O=C(NCc1ccc(C(=O)N2CCCCC2)cc1)c1ccccc1Nc1ccc(F)cc1 9751446 BQRINTYUFAISGY-UHFFFAOYSA-N 431.511 5.125 0 40 IKAB CCC[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1)c1ccccc1 9832158 HEMVGBZDTJYRRQ-QAPCUYQASA-N 426.611 5.480 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)c2ccccc12)C(=O)N(C)Cc1ccccc1 9864140 LFAVKVBASDHEJO-QGZVFWFLSA-N 431.536 5.575 0 40 IKAB COc1ccc(C(=O)COc2ccc3oc(=O)c(-c4ccc(OC)cc4)c(C)c3c2)cc1 11865121 QEGGWRAVRJUJTD-UHFFFAOYSA-N 430.456 5.047 0 40 IKAB biogenic CC(C)[C@H](NC(=O)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)c1cccs1 12578576 GNOJBFDDJIWDCW-KRWDZBQOSA-N 445.938 5.545 0 40 IKAB Cc1ccc(-c2csc(/C=C3\SCC(=O)N3CC(=O)c3ccc(Cl)cc3)n2)cc1 12622392 FEGUFLAZDAJSJP-YVNNLAQVSA-N 440.977 5.529 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 12641742 HZVSSPDNTYVVBS-UHFFFAOYSA-N 446.978 7.024 0 40 IKAB CN(Cc1ccccc1Cl)Cn1nc(-c2ccc(F)cc2)n(C[C@@H]2CCCO2)c1=S 13073810 GWFKPZPZPWCFPZ-IBGZPJMESA-N 446.979 5.142 0 40 IKAB Cc1ccc(OCc2nc3ccccc3n2CN2CCN(c3cccc(Cl)c3)CC2)cc1 13102513 WSHORRZDPOLBQI-UHFFFAOYSA-N 446.982 5.357 0 40 IKAB O=C1C[C@H](c2cccs2)Cc2nc3nc(SCc4ccccc4Cl)nn3cc21 13634444 RLDWACRDSGTDEF-CYBMUJFWSA-N 426.954 5.044 0 40 IKAB O=c1c([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Cl)cc4)=NN32)coc2ccc(F)cc12 13785713 YLDPJMZMPKQVDV-PXDATVDWSA-N 446.865 5.828 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccc([C@H]2SCC(=O)N2Cc2ccco2)cc1 14412297 ODVORJXYOOPEFA-OAQYLSRUSA-N 447.343 5.613 0 40 IKAB COc1cc([C@@H]2SC(c3ccccc3)=Nc3c2c(C)nn3-c2ccc(F)cc2)ccc1O 15084894 BSGHOHBOPYHINF-QHCPKHFHSA-N 445.519 5.949 0 40 IKAB CCOc1cc([C@H]2NC(=O)c3c(sc(C)c3C)N2)ccc1OC(=O)c1ccc(C)cc1 16185154 HHHHBJZFEWIROB-NRFANRHFSA-N 436.533 5.145 0 40 IKAB Cc1ccc2cccc(NC(=O)/C=C/c3ccc(-c4ccc(Br)cc4)o3)c2n1 16348853 MJHRXFHKJFXIIM-WYMLVPIESA-N 433.305 6.218 0 40 IKAB CCOc1cc(CNCCc2c[nH]c3ccccc23)ccc1OCc1ccccc1Cl 16689264 YAARSWMQRMSWMY-UHFFFAOYSA-N 434.967 6.131 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1 17097755 MILXOVQCVIVBDC-OVCLIPMQSA-N 431.967 5.314 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 17098355 PNTMTNOXEINTMW-TWLOVUBOSA-N 433.379 6.292 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(F)c2)c1 17208521 GAWFMPZLOLNTRH-UHFFFAOYSA-N 436.512 5.239 0 40 IKAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccc(C)c(Cl)c2)c1 17209435 HUVZAONVINFGCU-UHFFFAOYSA-N 438.940 5.444 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 19074407 ITIXXXMKZYJRIB-UHFFFAOYSA-N 425.328 6.769 0 40 IKAB CC(=O)NC1(c2ccccc2F)CCN(Cc2cn(C(C)C)c3cc(F)ccc23)CC1 19454773 XFFCDLDCZKVJGT-UHFFFAOYSA-N 425.523 5.128 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3ccc(-c4cccc(Cl)c4)o3)cc2s1 19630786 XEVVDRVCNWFEOA-UHFFFAOYSA-N 439.924 6.201 0 40 IKAB CCOc1ccccc1Cc1ccc([C@@H]2CN(Cc3c(C)nn(C(C)C)c3C)CCO2)nc1 19692282 RTZJLUNWWLCVFG-MHZLTWQESA-N 448.611 5.039 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)Nc3ccccc3C)c2)c(C)c1 19933624 ZZLFHKTUKATJPB-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB CC(C)(C)C(=O)N1CCN(c2ccc(NC(=O)c3ccc4ccccc4c3)cc2Cl)CC1 21124744 GKKAULWMRAEVPP-UHFFFAOYSA-N 449.982 5.440 0 40 IKAB COc1cc(CNn2c(-c3ccccc3)n[nH]c2=S)ccc1OCc1ccccc1C 22110294 AJPMFXPOWMZUPX-UHFFFAOYSA-N 432.549 5.247 0 40 IKAB Cc1cccc(-c2nnc([C@H](C)N3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)c1 22785839 WBRKATGJDMEAJQ-QFIPXVFZSA-N 438.575 5.513 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1cc(Cl)c(Cl)cc1Cl 23589747 ZJOUEXFOZMIPNM-UHFFFAOYSA-N 428.728 5.351 0 40 IKAB O=C(Cc1csc(-c2ccsc2)n1)N[C@@H](c1ccccc1)c1cc2ccccc2o1 24709457 QNLCTZLYZOJZAD-QHCPKHFHSA-N 430.554 6.066 0 40 IKAB Cc1ccc(-c2nc(CSc3nc4ccccc4c(=O)n3CCCOC(C)C)co2)cc1 24758706 GZJDZOAFKNPDTD-UHFFFAOYSA-N 449.576 5.467 0 40 IKAB CC(=O)N1CCc2cc(C(=O)Nc3ncc(Cc4ccc(Cl)cc4Cl)s3)ccc21 25178670 LLQHGZDSVRMGTA-UHFFFAOYSA-N 446.359 5.202 0 40 IKAB Cc1ccccc1N[C@@H](c1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770812 GOBQIOHKAYANQG-VWLOTQADSA-N 426.585 7.127 0 40 IKAB COc1ccccc1N[C@H](c1ccccc1)c1c(NC(=O)c2ccccc2)sc(C)c1C 26770817 YHKWIULYGNIQBU-RUZDIDTESA-N 442.584 6.827 0 40 IKAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCc1ncc(-c2ccc(Cl)cc2Cl)o1 29333089 UCTITVNQWSOQMP-UHFFFAOYSA-N 429.307 5.116 0 40 IKAB Cc1cnc2c(S(=O)(=O)N3CCc4sccc4[C@H]3c3cccs3)cccc2c1 29349490 BDUPWXVLAMVRPO-NRFANRHFSA-N 426.588 5.003 0 40 IKAB Cc1cccc(-c2n[nH]c(=S)n2CC(=O)Nc2ccccc2CN(C)C2CCCCC2)c1 29880268 PUGQXJKLJNCXKS-UHFFFAOYSA-N 449.624 5.319 0 40 IKAB C=CCOc1ccccc1/C=C1/S/C(=N/c2cc(C(F)(F)F)ccc2Cl)NC1=O 35644828 UXRLSGHYTGJOTO-LICLKQGHSA-N 438.858 5.815 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)N[C@@H](C)c3ccc(C)cc3C)ccc2C)cc1 38754937 ISDUKMCVLKZWJN-FQEVSTJZSA-N 436.577 5.212 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccc(NC(=O)Nc2ccccc2)c1 39548533 NRCTVVMBOHBOFR-UHFFFAOYSA-N 439.519 5.445 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3n2Cc2ccccc2C)c(Cl)c1 41076839 CASJEIINICZFAY-UHFFFAOYSA-N 435.980 6.086 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1 44087572 REHMXZDQEWRCLA-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccccc3Cl)cc2Cl)cc1 44904775 SPXQYSHZVUQRKM-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCOC(=O)[C@H]1CC(=O)N(c2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)C1 45887765 PRIONQXDVNMYJZ-ZDUSSCGKSA-N 433.291 5.026 0 40 IKAB CC(C)c1cccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccccc2)c1 57425512 OQYZVLPQAXOVBA-UHFFFAOYSA-N 449.601 5.361 0 40 IKAB FC(F)(F)c1cccc(Nc2nc3nonc3nc2Nc2cc(Cl)ccc2Cl)c1 59596965 RZFUGXDPRHPKSQ-UHFFFAOYSA-N 441.200 5.826 0 40 IKAB CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccc(C)cc3)c(=O)c21 64817169 OWPPBPJXECIZLG-UHFFFAOYSA-N 432.593 5.187 0 40 IKAB COc1cc(/N=c2\oc3ccccc3cc2C(=O)Nc2ccc(Cl)cc2)cc(OC)c1 67294469 STQYQYIEDAHXLD-PNHLSOANSA-N 434.879 5.588 0 40 IKAB Cc1ccc(OCC(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c(C)c1 72228806 VHRFSDXIFKICRJ-UHFFFAOYSA-N 434.565 5.350 0 40 IKAB O=C(N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1)c1nc(Cl)c(Cl)c(Cl)c1Cl 84392821 SCBCPRWADSDPSV-YGRLFVJLSA-N 438.113 5.484 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccc(Cl)cc3)o2)C(=O)N1Cc1ccccc1 106681278 JDJZYMGTCNBBMC-PDGQHHTCSA-N 427.934 6.321 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H]3OC(C)(C)O[C@]32C(C)=O)C1 118917414 UHBMRCJLSUUKRV-OMVZSZLZSA-N 432.601 5.050 0 40 IKAB CC(C)c1ccccc1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960444 KSGUQLNSZQVYOF-UHFFFAOYSA-N 426.604 6.517 0 40 IKAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 219960646 ZFCBTOGKUDXHMQ-UHFFFAOYSA-N 426.560 5.596 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2Br)o1 222805923 UHJHFZXTMRLGRL-RTBURBONSA-N 446.345 5.236 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 222997612 YNCXCPNNQXZPPC-LJQANCHMSA-N 447.044 5.215 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc2c(c1)C[C@H](C)N2S(=O)(=O)c1ccccc1 223070960 NCRIQUNDNVQORJ-IBGZPJMESA-N 448.588 5.511 0 40 IKAB Cc1cccc(C(=O)N2CCCc3cc(C(=O)Nc4c(Cl)cccc4Cl)ccc32)c1 223083619 PPZLBLUJYOGRGV-UHFFFAOYSA-N 439.342 6.147 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 223398520 QYEJZEZWQODPKL-BJKOFHAPSA-N 443.597 5.999 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccccc1)c1ccccc1 223413432 ZIOYZCKDKKQIBJ-VWLOTQADSA-N 434.967 5.526 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(Br)s2)cc1 223746782 KWYVRBPCIXRANO-ROUUACIJSA-N 446.395 5.091 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223960690 FKPHGJAECCCJLX-QGZVFWFLSA-N 437.005 5.395 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cc(Cl)cc(Cl)c3)c2)cc1 224144456 BLJNHCBVWXQNDH-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB O=C(O)c1ccccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)o1 224181722 WNFZSIHVJKWWOU-GOTSBHOMSA-N 441.512 5.217 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1 224211013 VVHPKVHDWZSQGC-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccccc1C(C)C 224230477 LMCHMCLJCHKROT-UHFFFAOYSA-N 443.465 6.669 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224311330 MDWGCGWUIJFIGG-LOSJGSFVSA-N 442.563 5.805 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(Cl)cc3)c2)c(C)c1 224315398 AIRQRWHXMJLRBY-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccccc1OC 224578771 HQOWFDWUWDKOAO-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccccc1 224644318 ZKUFUDVKZOKPKR-SFHVURJKSA-N 445.028 5.298 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc3c(c2)oc2ccccc23)cc1 225151977 IAUNRQXILIODGA-KQWNVCNZSA-N 436.467 5.897 0 40 IKAB O=C(CCc1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NCCc1ccccc1 225326939 IXEUYFUPMNWXIV-UHFFFAOYSA-N 441.358 5.537 0 40 IKAB Brc1cc(Br)c2[nH]c(C(c3ccccc3)c3ccccc3)nc2c1 226342828 WDMRXJWPYMIQCT-UHFFFAOYSA-N 442.154 6.268 0 40 IKAB CCCOc1ccc(Br)cc1C(=O)Nc1ccc(Br)cc1C 408585152 BONHXTKCBWEPEG-UHFFFAOYSA-N 427.136 5.561 0 40 IKAB CCCc1nc(S/C(=C\c2ccccc2OCc2ccccc2Cl)C(=O)O)n[nH]1 408631303 HFNYPWZPSFROPE-PDGQHHTCSA-N 429.929 5.207 0 40 IKAB O=C(O)/C(=C/c1ccc(-c2cc(C(=O)O)ccc2Cl)o1)Sc1nc2ccccc2[nH]1 408632920 HOEDNYSWMKIDGB-ZDLGFXPLSA-N 440.864 5.392 0 40 IKAB O=C(Nc1ccc(F)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408727409 WNHCHKCOYVPZNO-UHFFFAOYSA-N 433.486 6.598 0 40 IKAB Cc1cccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 409027019 QJPHZVVULODWRR-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 409106849 MZJYMKJPNPINDQ-UHFFFAOYSA-N 425.916 6.028 0 40 IKAB CCCN(CCC)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1cccc(C)c1 409210513 KZDZFSOXPIXDAR-UHFFFAOYSA-N 443.016 5.637 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c(C)c1 409383769 GDAWZHAWMGORKT-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB CC(C)CCN(CC(=O)O)C(=O)c1ccc2c(c1)C[C@](C)(Cc1ccc(C(C)C)cc1)O2 585266938 CSZCRKCVACUZBC-MHZLTWQESA-N 437.580 5.319 0 40 IKAB CCc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](COc3ccc(C(C)C)cc3)O[C@H]21 585267359 LEDYSWIZCVMHOS-KELBGUDLSA-N 438.564 5.769 0 40 IKAB O=C(N[C@@H](Oc1ccc(Cl)cc1Cl)C(Cl)(Cl)Cl)c1ccccc1Cl 1615021616 MNPSDSVUAONOBI-AWEZNQCLSA-N 447.960 6.152 0 40 IKAB COc1ccc(-c2cc(C(F)F)n3ncc(C(=O)Nc4ccc(F)cc4C)c3n2)cc1 649121 NQQBGIDFXNBLOZ-UHFFFAOYSA-N 426.398 5.042 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccc3ccccc3c2)cc1)c1ccccc1 654252 COODTOYVFFLMJI-UHFFFAOYSA-N 430.529 5.058 0 40 IKAB CCC(=O)N1c2ccccc2-c2nnc(SC)nc2O[C@H]1c1ccc(C(F)(F)F)cc1 684896 TYGPHIOQXZZUGM-IBGZPJMESA-N 446.454 5.114 0 40 IKAB COc1ccc2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)cc2c1 879974 IWNSNSSONZUVDN-GOSISDBHSA-N 449.620 5.307 0 40 IKAB Cc1nc(SCC(=O)Nc2nc(-c3ccc(F)cc3)cs2)c2c(C)c(C)sc2n1 1340331 IOKNJAJFRFMOBI-UHFFFAOYSA-N 444.582 5.610 0 40 IKAB C[C@@H]1C(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C(=O)c1cccc(C(F)(F)F)c1 1381900 PPWKIAFFMWGZFR-OAHLLOKOSA-N 442.412 5.427 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)cc1Cl 1413859 UNKZDEKQRRRZOU-UHFFFAOYSA-N 436.895 5.791 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(SCc2ccc(OC)cc2)s1 1474815 NCYVXHRGAPXXSH-UHFFFAOYSA-N 445.635 5.441 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)cc(NCc2ccccc2)c2cc(OC)c(OC)cc12 1872494 HGJBYLFOFNYUFH-UHFFFAOYSA-N 441.527 6.313 0 40 IKAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)c1cc(-c2ccccc2Cl)nc2ccccc12 2090045 XVVJBPPGERDDDW-MRXNPFEDSA-N 430.910 6.676 0 40 IKAB CC[C@@]1(C)Cc2c(sc3nc(SC(C)C)nc(NCCc4ccccc4)c23)CO1 2412742 KYFQOQFOTJUHSV-QHCPKHFHSA-N 427.639 6.088 0 40 IKAB O=C(C[C@H](Sc1ccc(Cl)cc1)c1ccccc1)c1ccc(Br)cc1 2572929 SLBUFGQKBFGLNK-NRFANRHFSA-N 431.782 7.209 0 40 IKAB CC1(C)[C@@H](C(=O)Nc2nnc(SCC(=O)c3ccccc3)s2)[C@@H]1C=C(Cl)Cl 2592973 IHUFGXDGWSHTLL-SMDDNHRTSA-N 442.393 5.043 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccc(F)cc3F)c2c1C 2653814 CFLPPHIHMQIXJM-UHFFFAOYSA-N 427.501 5.990 0 40 IKAB aggregator Cc1cccc(Cn2cc(S(=O)(=O)c3ccc(C(C)C)cc3)c(=O)c3cc(F)ccc32)c1 2693899 RAZJHIOOPAMLKI-UHFFFAOYSA-N 449.547 5.454 0 40 IKAB CSc1nsc(SC)c1C(=O)Nc1cc(C)n(Cc2ccc(F)cc2Cl)n1 2728410 JVTAHCOXJDKMIB-UHFFFAOYSA-N 442.994 5.185 0 40 IKAB CC(C)c1ccc(Nc2nnc(SCC(=O)NCc3ccc(Cl)cc3)s2)cc1 3274319 NRXOCNUEHQXARR-UHFFFAOYSA-N 433.002 5.467 0 40 IKAB Cc1sc2nc(CSc3ccc(Cl)cc3)nc(N3CCCCCCC3)c2c1C 3354471 ZKLZADKRMLPEGE-UHFFFAOYSA-N 432.058 7.024 0 40 IKAB CCCCc1ccc(C(=O)N2c3ccccc3[C@@H](Nc3ccccc3)[C@@H](C)[C@@H]2CC)cc1 4794678 LSVVQGOVNUXOAF-PTJQVGQKSA-N 426.604 7.258 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nnc(-c3ccco3)n2C2CCCCC2)c1C 8705473 VVZGOMHJPSCWLZ-MRXNPFEDSA-N 440.569 5.554 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2c(Cl)cccc2C(F)(F)F)nc2ccccc21 8709940 ZPYAAEKYMJKBAL-UHFFFAOYSA-N 441.906 6.095 0 40 IKAB O=C1c2ccccc2N[C@H](c2cn(-c3ccccc3)nc2-c2ccncc2)N1C1CCCC1 8710810 QYNCIYRCRIGGFX-SANMLTNESA-N 435.531 5.443 0 40 IKAB O=C(NC1CCCC1)[C@@H]1CCCN(c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)C1 8759078 UWJPSVYSHCDZFJ-GOSISDBHSA-N 449.982 5.124 0 40 IKAB Cn1cc(/C=C2\N=C(c3ccccc3)N(CCc3c[nH]c4ccccc34)C2=O)c2ccccc21 8771504 BOESOEVHQCJMMS-ONUIUJJFSA-N 444.538 5.532 0 40 IKAB Cc1nc2c(Br)cc(Br)cc2cc1OCc1ccc(Cl)cc1 8781847 QWQRMYXOYLDPGW-UHFFFAOYSA-N 441.550 6.301 0 40 IKAB Cc1cc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)c(C)c1 8810300 PYTSBVYCXIXVID-UHFFFAOYSA-N 446.931 5.457 0 40 IKAB Cc1nc(CS(=O)(=O)c2ccc(Cl)cc2)cc(Sc2ccc(C(C)(C)C)cc2)n1 8888064 VHRZYQHRBINVLB-UHFFFAOYSA-N 447.025 5.861 0 40 IKAB COc1ccccc1Oc1c(C)oc2cc(OCC(=O)Nc3ccc(F)cc3)ccc2c1=O 8991243 HJULMGYWNUAEEL-UHFFFAOYSA-N 449.434 5.059 0 40 IKAB CSCC[C@H](NC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nnc2ccccn12 9216672 LTQJLCVFURBLFQ-FQEVSTJZSA-N 433.537 5.138 0 40 IKAB Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)nc2c1 9402407 HBVDLPMEJSLYQC-UHFFFAOYSA-N 430.558 5.765 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc(Cl)cc3)=NN2C(=O)c2ccc(Cl)cc2)cc1 9404355 RLPQOIHPNNITLD-QFIPXVFZSA-N 425.315 5.994 0 40 IKAB O=C([C@H](Sc1nnc(-c2c[nH]c3ccccc23)n1C1CC1)c1ccccc1)N1CCCC1 9478091 NUAYLNKENCQORS-JOCHJYFZSA-N 443.576 5.217 0 40 IKAB O=C(CSc1nnc(C2CCCCC2)n1-n1cccc1)Nc1ccccc1C(F)(F)F 9738318 DXWGGNDZZKNVIW-UHFFFAOYSA-N 449.502 5.188 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cccc(I)c1 9907365 JNQIOQLVBFMTJZ-UHFFFAOYSA-N 425.575 5.216 0 40 IKAB Cc1nn(-c2ccc(Br)cc2)c2nc(-c3ccncc3)cc(C(F)(F)F)c12 9934562 PJIPKZXVCGDRQM-UHFFFAOYSA-N 433.231 5.572 0 40 IKAB CC(=O)c1ccccc1OCCSc1nc2scc(-c3cccs3)c2c(=O)[nH]1 9996161 SSLQOKISOYRFSP-UHFFFAOYSA-N 428.560 5.087 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCc2ccc(C(C)C)cc2)cc1 10371633 JKSIKMLVJMENAQ-UHFFFAOYSA-N 436.577 5.491 0 40 IKAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccc(Oc2ccccc2Cl)cc1 11513555 BMNYBVPSBFJQKZ-UHFFFAOYSA-N 442.953 5.754 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2Cl)o1)Nc1ccc(N2CCCC2)cc1 12074811 YGBUABCZOACSAJ-UHFFFAOYSA-N 430.335 5.820 0 40 IKAB CCOc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(OCC)cc2)cc1 12195867 REHWOVJLBUKDGQ-AOYPEHQESA-N 448.950 6.380 0 40 IKAB CSc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc5c(c4)OCCO5)=NN23)cc1 12561639 ARYRJVRHRUXSRY-BWKNWUBXSA-N 430.529 5.422 0 40 IKAB CCCCOc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)Nc2cccc(C(F)(F)F)c2)cc1 12564477 LNEPPPXYIHASAJ-HXUWFJFHSA-N 447.457 5.151 0 40 IKAB C[C@H]1Sc2nnc(Cc3ccc(Br)cc3)n2N=C1c1ccc(Cl)cc1 12565605 DHIZINIRMKSOBY-LLVKDONJSA-N 433.762 5.031 0 40 IKAB CCOc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1OC 12587715 ZFCHRQPWWWYLHN-UHFFFAOYSA-N 444.581 6.902 0 40 IKAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2C)cc1 13025547 UOHDDJOFYLRMGA-RUZDIDTESA-N 446.547 5.434 0 40 IKAB COc1ccc(C[C@H](NC(=O)Cc2c(Cl)cccc2Cl)c2ccc(OC)cc2)cc1 13109441 HDCYRZOHEPUHDZ-QHCPKHFHSA-N 444.358 5.653 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1CCC1=CCCCC1)c1cccc(Cl)c1 13121238 FOVIJBJIECWFEM-UHFFFAOYSA-N 438.980 5.915 0 40 IKAB COc1ccc(-c2nn(-c3ccccc3)cc2-c2nc3cc(Br)cnc3[nH]2)cc1 13138072 UXIHUPLTWUZOTG-UHFFFAOYSA-N 446.308 5.249 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=O)Nc1ccccc1Cl)C1CCCCC1)c1nnnn12 13568288 CZUFJOVICLRPJP-UHFFFAOYSA-N 448.958 5.606 0 40 IKAB COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3ccc(C(C)C)cc3)c2c1 13570311 KIBFUKHRZRTHQG-VWLOTQADSA-N 428.536 5.119 0 40 IKAB Cc1cc(OCC(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1Br 14036303 BVAOJBOOOBGGJO-UHFFFAOYSA-N 426.310 5.354 0 40 IKAB COc1ccc(C(=O)Nc2cccc(C(=O)Nc3c(C)nn(-c4ccccc4)c3C)c2)cc1 14404950 FLYQOMCYFQEHED-UHFFFAOYSA-N 440.503 5.002 0 40 IKAB CSc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1 16749726 ODJQWGVWEAERDR-QHCPKHFHSA-N 427.525 5.303 0 40 IKAB COc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=O)C(Cl)(Cl)Cl 17095609 PHOQZPWTYPGIHF-UHFFFAOYSA-N 427.715 5.936 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)cc2)cc1 17095819 UXJNSBKCBCRMTL-UHFFFAOYSA-N 428.488 6.116 0 40 IKAB O=C(COc1ccccc1Cl)Nc1ccc2nn(-c3cccc4ccccc34)nc2c1 17096190 MMMZADNXMPSVGY-UHFFFAOYSA-N 428.879 5.245 0 40 IKAB Cc1cccc(Cc2cc(C)nc([C@@H]3CCCN3C(=O)Cc3c(C)nc4ccccn34)c2)c1 19691967 KXLQWCUHWYPMAS-VWLOTQADSA-N 438.575 5.152 0 40 IKAB CCN(C(=O)Cc1ccccn1)[C@H]1CCO[C@@H](c2ccc(-c3cc(F)cc(F)c3)cc2)C1 19711620 ZXYQPOFOZUYKLH-LOSJGSFVSA-N 436.502 5.338 0 40 IKAB COc1ccc(/C=C(/C(=O)N[C@H](c2ccccc2)c2ccccc2C)c2ccccc2)cc1 20110925 RGJHINZBDWTXQD-XWBFJZKFSA-N 433.551 6.450 0 40 IKAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20139982 HUTFAXFYMVOWNL-UHFFFAOYSA-N 440.666 5.866 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)Nc1cc(-c2ccc(CO)o2)ccc1C 20143125 LWXGWUCOVLGTHS-UHFFFAOYSA-N 430.298 5.079 0 40 IKAB COc1ccc([C@@H]2C(C(=O)Nc3ccccc3Cl)=C(C)Nc3nc4ccccc4n32)cc1 21005509 VKGFYMJPVWSULX-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB CCOc1ccc(-c2cc(C(=O)N(Cc3ccc(CC)cc3)Cc3ccco3)no2)cc1 21524322 KXIPBUFGGPCCIP-UHFFFAOYSA-N 430.504 5.738 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(Cl)c(NC(=O)c4ccc5nsnc5c4)c3)nc2c1 21595441 UAPQPIZBUUJYSG-UHFFFAOYSA-N 434.908 6.022 0 40 IKAB C[C@H](NC(=O)Cn1c(COc2ccccc2)nc2ccccc21)c1cc2ccccc2o1 22315833 NUAHEVNSRFGSDG-SFHVURJKSA-N 425.488 5.239 0 40 IKAB CCc1cccc(CC)c1NC(=O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 22785605 GTUMDGAHUBTQNW-UHFFFAOYSA-N 441.619 5.157 0 40 IKAB O=C(CCc1ccc(-c2ccccc2)o1)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 23875465 DARZSLZUOILWSE-UHFFFAOYSA-N 445.950 5.430 0 40 IKAB Cc1nc(NC(=O)Cc2ccc(Cl)cc2)sc1-c1nc(-c2ccc(F)cc2)no1 32070254 PICSDLZWSZNDIL-UHFFFAOYSA-N 428.876 5.142 0 40 IKAB Cc1ccc(NC(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 40150031 MGXPEBWNFURLRW-PKTZIBPZSA-N 446.555 5.389 0 40 IKAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)c1cc(Br)ccc1Cl 57314002 RGVPYVPNGMYNEI-UHFFFAOYSA-N 433.689 5.509 0 40 IKAB CC[C@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C 72215278 UQAWHMWFWLWRLJ-HKUYNNGSSA-N 433.593 6.084 0 40 IKAB COc1ccccc1Cc1cccc(C2CCN(C(=O)CCc3ccc(F)cc3)CC2)n1 72350371 BSBWBLDEQOCXLC-UHFFFAOYSA-N 432.539 5.159 0 40 IKAB Nc1ncc(-c2cccc(C(F)(F)F)c2)c([C@@H]2CCCCN2C(=O)CC2CCCC2)n1 72377083 MFBMJNZLKHIQAE-IBGZPJMESA-N 432.490 5.379 0 40 IKAB CC(=O)N(c1ccccc1)[C@H]1C[C@H](C)N(CC(=O)c2ccc(Cl)cc2)c2ccccc21 95115696 XJHIYPJJISFYQX-BVZFJXPGSA-N 432.951 5.916 0 40 IKAB Cc1ncc(-c2onc(C)c2C)c([C@H]2CC[C@H](CNC(=O)c3cc(C)c(C)s3)CC2)n1 100743995 PYJUZAGAXJUAAI-KDURUIRLSA-N 438.597 5.439 0 40 IKAB COc1ccc(C2=NN3[C@H](c4ccc(SC)cc4)Oc4ccccc4[C@H]3C2)cc1OC 102745796 GJMCKONYJBLBDT-BWKNWUBXSA-N 432.545 5.668 0 40 IKAB CCOc1cc(CNc2ccccc2)cc(Br)c1OCc1ccccc1Cl 107027689 PLJWHWGGZSLRPV-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3cccc(C)c3)C2=O)ccc1OCc1ccncc1 214581919 BUAFIOZXCFKDMC-OEAKJJBVSA-N 446.528 5.214 0 40 IKAB CC[C@@H](C(=O)N[C@@H](C)c1ccc(C(C)(C)C)cc1)N(c1cc(C)ccc1C)S(C)(=O)=O 220547455 GIJPTNDPXSOYLT-UGKGYDQZSA-N 444.641 5.023 0 40 IKAB Cc1cccc(C)c1N(Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1)S(C)(=O)=O 222384826 SJBQMGBVEOLJTD-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 222626145 NYOCDVZWJASLOA-MRXNPFEDSA-N 447.391 5.363 0 40 IKAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 222713265 HVDXZQGETAPWNK-HBUDHLSFSA-N 444.387 6.628 0 40 IKAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NCCSCc1c(F)cccc1Cl 223014904 JMEVPIJYEPCREP-IBGZPJMESA-N 430.372 5.648 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223499430 MSZLBOZWKWGOMB-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223904548 RGEONJKIYUGPHT-DQEYMECFSA-N 439.588 5.115 0 40 IKAB Cc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)c1 224262154 XXYHDQWVCOKUMM-UIOOFZCWSA-N 438.600 5.975 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1CSc1ccccc1 224652740 FHNVQXZZSUQCII-UHFFFAOYSA-N 431.479 6.649 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 224926131 ZOXPOLNCBROAFV-UHFFFAOYSA-N 427.262 6.707 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3C)cc2)c(Cl)c1 224997706 JZXBCHZUJGBRIT-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225195724 FNIADZDRJBHVLE-OAQYLSRUSA-N 433.017 5.156 0 40 IKAB Cc1cc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)ccc1OCC(C)C 225582979 RKUKWHVNMGBORJ-UHFFFAOYSA-N 436.379 6.024 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(OC)c(C)c1 225591103 DPURRVYSEXZCPG-JOCHJYFZSA-N 432.967 5.276 0 40 IKAB O=C(O)/C=C/c1ccc(CN2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc1 257226877 FMNYKEUIVNWANC-UQNNOOFXSA-N 436.939 5.744 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 408546863 GXUDRDKVOZFDEX-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 408562195 OANWCHMCIPYPPG-QPLCGJKRSA-N 438.593 5.564 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)Nc2cccc(F)c2)nc1-c1cccc(Cl)c1 408697866 MBJYZLKEPHGLAP-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Clc1ccccc1COc1ccc(CNc2ccc(Br)cc2)cc1Cl 409206544 PHMUVCZQJOTQTN-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccccc1OCCCSc1nc2sc(C)c(C)c2c(=O)n1-c1ccccc1 409206627 YSFSZXUUENLQIS-UHFFFAOYSA-N 436.602 5.934 0 40 IKAB Brc1ccc(COc2cccc(CNc3ccc(Br)cc3)c2)cc1 409207149 SJLYTKHBJZKXTE-UHFFFAOYSA-N 447.170 6.403 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3OCc3ccccc3Cl)C2=O)c1 409236060 RLCJPVOOFBGLLQ-HYARGMPZSA-N 432.907 5.320 0 40 IKAB Cc1cc(C)c(NC(=O)CN2C(=O)S/C(=C/c3cccc(C(F)(F)F)c3)C2=O)c(C)c1 409374749 YJMLCVYMFXTCFT-LICLKQGHSA-N 448.466 5.306 0 40 IKAB O=C(N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1)c1cc(O)nc2ccc(F)cc12 606181343 YFZGCGUWJNEJRH-QFIPXVFZSA-N 441.289 5.906 0 40 IKAB CCOc1ccc([C@@H](CCc2ccccc2)NC(=O)c2cccc(OC)c2)cc1OCC 668031 PVRLQVYYKWLJLN-XMMPIXPASA-N 433.548 5.597 0 40 IKAB CCC(C)(C)c1ccc(OCC(=O)Nc2ccc3c(c2)C(=O)N(c2ccccc2)C3=O)cc1 692599 FCVNVGIFQJKNNW-UHFFFAOYSA-N 442.515 5.192 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4F)nc3c2)cc1Br 724155 LWZPLHNVPRETEF-UHFFFAOYSA-N 441.256 5.657 0 40 IKAB COc1cccc(NC(=O)CSc2ncnc3scc(-c4ccc(Cl)cc4)c23)c1 783363 USCIDZKVIWWDFL-UHFFFAOYSA-N 441.965 5.751 0 40 IKAB O=C(Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1)c1ccc(-c2ccc(Cl)cc2)o1 861598 YGCQNZCLILIIBI-UHFFFAOYSA-N 449.297 6.240 0 40 IKAB CC(C)Oc1ccc(CSc2nc(N)c3c4c(sc3n2)CO[C@H](C(C)C)C4)cc1 1250881 YLTRLJLMYLJKDQ-KRWDZBQOSA-N 429.611 5.450 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 1371652 CJHGIDUZEFDVEU-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)c(C)oc2cc1OCc1ccc(C)cc1 2094262 NYOQWKQYOFJRMR-UHFFFAOYSA-N 442.511 5.989 0 40 IKAB biogenic CCOc1ccc2nc(SCC(=O)Nc3ccc4nc(SC)sc4c3)sc2c1 2176732 DIMDHXFHOITYOZ-UHFFFAOYSA-N 447.632 5.757 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2C)cc1OC 2315880 IXFBODWPJVSYHU-UHFFFAOYSA-N 430.504 6.196 0 40 IKAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)cc2)o1 2442715 XAAMDARJJXKHEV-AWEZNQCLSA-N 429.995 5.334 0 40 IKAB O=C(c1nn2c(c1Cl)N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F)N1CCCCCC1 2474676 NNYZHYNXLTWYPL-LSDHHAIUSA-N 426.870 5.213 0 40 IKAB O=C(C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1)NCCc1ccc(Cl)cc1 2660966 VXPZPHYMDXPVCB-JOCHJYFZSA-N 441.358 5.214 0 40 IKAB aggregator COc1cc2c(=O)c(C(=O)c3ccc(Cl)cc3)cn(Cc3cccc(C)c3)c2cc1OC 2691875 CLLCCMBFNXEOPK-UHFFFAOYSA-N 447.918 5.260 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@H]2C1=O 3146849 NIFSJXVZMQZQRL-JKURPRQGSA-N 437.539 5.718 0 40 IKAB biogenic CCn1c2ccccc2c2cc(NC(=O)COC(=O)/C=C/c3cccc(Cl)c3)ccc21 3230049 UTTGHIYKMXJSAG-JLHYYAGUSA-N 432.907 5.663 0 40 IKAB Cc1cc(C)cc(NC(=O)COC(=O)c2cccnc2Nc2cccc(C(F)(F)F)c2)c1 3244294 UYCSBLWQJPQXFM-UHFFFAOYSA-N 443.425 5.256 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](OC(=O)c1ccc2ccccc2n1)c1ccccc1 3250241 IHJNSSKHUFJWAB-XMMPIXPASA-N 426.472 5.089 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Cl)cc1 3299385 SKJGNRPMXWITHJ-UHFFFAOYSA-N 434.952 5.627 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(C(=O)Nc2c(CC)cccc2CC)n1 5985296 MPXYDPRUUOXHFE-UHFFFAOYSA-N 429.564 5.836 0 40 IKAB COc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)cc1 6973809 GYHXBMGMCJFGRT-UHFFFAOYSA-N 436.581 5.114 0 40 IKAB COc1ccc([C@@H]2NC(=O)c3sc4nc5c(c(-c6ccccc6)c4c3N2)CCCC5)cc1 8386910 ZHDQPWYJDDPXMG-DEOSSOPVSA-N 441.556 5.705 0 40 IKAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)Nc2cccc(SC)c2)c1 8727864 QESWLSFHDZMFFM-UHFFFAOYSA-N 445.544 5.531 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(C)cc3)oc3c(sc4ccccc43)c2=O)cc1 8836302 HFXBILINUAMTJI-UHFFFAOYSA-N 441.508 6.244 0 40 IKAB Cc1cccc(OCCn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)c1 8871255 PYDLSANYXGSFHU-LJQANCHMSA-N 445.950 5.598 0 40 IKAB CC(C)n1c(S[C@@H](C)c2nnc(-c3ccccc3)o2)nc2cc(Cl)ccc2c1=O 8882350 HBXWPZVDEJFYLG-ZDUSSCGKSA-N 426.929 5.534 0 40 IKAB Cc1cc2nc(N3C(=O)/C(=C/c4ccc(O)cc4)N=C3c3ccccc3)sc2cc1C 8894612 FJOZBYQYJHYGFW-STZFKDTASA-N 425.513 5.453 0 40 IKAB COc1cc(/C=C2/SC(=O)N(Cc3ccc(Cl)c(Cl)c3)C2=O)cc(Cl)c1O 9233372 ZAPNGRIIONSWIA-VIZOYTHASA-N 444.723 5.598 0 40 IKAB Cc1nc(-c2ccc(CNC(=O)c3ccccc3SC[C@@H]3CCCO3)s2)cs1 9337461 AFRXKIBLCPTXRC-HNNXBMFYSA-N 430.620 5.381 0 40 IKAB Cc1cc(C)cc(C(=O)Nc2nnc(SCc3ccc(Br)cc3)s2)c1 9366819 NXVUSAXNVQFCMZ-UHFFFAOYSA-N 434.384 5.462 0 40 IKAB CCOc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)CCCc2ccccc2)cc1 9414093 BBNJOSBIWZEARO-UHFFFAOYSA-N 442.515 6.045 0 40 IKAB Cc1ccc(Cn2nc(C)c3cc(C(=O)Nc4ccc(N5CCCC5=O)cc4)sc32)cc1 9713759 MIEOOMOEGBFSMR-UHFFFAOYSA-N 444.560 5.142 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2ccc(C)cc2)cc1 10060182 HUKQQKNFGQFDTI-VWLOTQADSA-N 438.531 5.671 0 40 IKAB CCc1ccc([C@H](NC(=O)C2CCN(C(=O)c3cccs3)CC2)c2cccs2)cc1 10447725 BHLUMUJXTMBUGU-QFIPXVFZSA-N 438.618 5.130 0 40 IKAB CCc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1ccccc1C(C)C 11118838 CILAPLDVBKPKAS-UHFFFAOYSA-N 434.561 5.187 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc(C)o4)=NN32)cc1OC 12194571 KVNZKNXBBWKINH-CUNXSJBXSA-N 446.547 6.408 0 40 IKAB Cc1ccccc1CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccc(Cl)cc1 12643769 IDTJZQSGCGUYEI-UHFFFAOYSA-N 444.962 5.683 0 40 IKAB Cc1cccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)NC2CCCCC2)c1 12705283 NLLQXGQHSIBYLE-UHFFFAOYSA-N 445.607 5.540 0 40 IKAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c(C)c1 12781675 FGKNKXYEEIDHSI-UHFFFAOYSA-N 445.346 5.889 0 40 IKAB O=C1CC[C@@H](COC(=O)c2cc(-c3ccc(Cl)c(Cl)c3Cl)nc3ccccc23)N1 12858327 NREJSXQJRNUTIH-NSHDSACASA-N 449.721 5.297 0 40 IKAB CCc1c(C)sc2nc(-c3ccc(C(=O)N(C)Cc4ccc(C)cc4)cc3)[nH]c(=O)c12 12904627 YUUCUBWDRINSTB-UHFFFAOYSA-N 431.561 5.103 0 40 IKAB Clc1ccc2c(c1)[C@H]1CC(c3ccccc3)=NN1[C@H](c1cccc(Br)c1)O2 13511026 ANQNCBIYXZXRGW-IRLDBZIGSA-N 439.740 6.345 0 40 IKAB CCCCc1nc2cc(NC(=O)C(C)(C)C)c(C)nc2n1Cc1ccc(C(F)(F)F)cc1 13512771 UXMIBIPRTLOHIO-UHFFFAOYSA-N 446.517 6.134 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1ccc(NS(=O)(=O)c2cccs2)cc1 13681330 HPXPLFMNJYWPAP-UHFFFAOYSA-N 427.334 5.108 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=O)COc1ccccc1Cl 13946073 HXHJQDONTVMNNP-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992102 GVSBBQRKKDHCBY-UHFFFAOYSA-N 447.972 6.993 0 40 IKAB COc1ccc(N2C(=O)CN(c3ccc(C)c(C)c3)C(=O)[C@H]2c2ccc(C(C)C)cc2)cc1 15412619 QAKOIFQKTYNHOE-HHHXNRCGSA-N 442.559 5.557 0 40 IKAB O=C1/C(=C\c2ccc(Cl)cc2Cl)S(=O)(=O)[C@@H](c2ccccc2)N1c1ccccc1 16478448 NDSKVHIHBUXGCW-IMEWXKHHSA-N 444.339 5.495 0 40 IKAB CCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCC)cc1OCC 16751940 GAAMYJWNMPSEPA-XMMPIXPASA-N 449.547 5.716 0 40 IKAB COc1ccccc1-c1nnc(SCC(=O)c2ccccc2Cl)n1-c1ccccc1 16807880 WKNVEGHQLVRIEL-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB CC1CCN(C(=O)CSc2nnc(-c3cc4ccccc4o3)n2Cc2ccccc2)CC1 20193783 GLQSXGJFYNDSAC-UHFFFAOYSA-N 446.576 5.090 0 40 IKAB Cc1ccc(CN(C)C(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)c(Cl)c2)cc1 20489885 KPKPHARINGGLFC-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB O=C(Nc1ccc(N2CCCCC2)c2ccncc12)c1cc(F)ccc1Br 30013236 FGFHMIDMOPOVGG-UHFFFAOYSA-N 428.305 5.379 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccc(C)cc3C)c2C)cc1 30853475 PJSMLHFXZGGBAK-HXUWFJFHSA-N 436.577 5.212 0 40 IKAB COc1ccc(S[C@H](C)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 30855110 SOWVHXJBTODQSB-OAQYLSRUSA-N 446.616 5.110 0 40 IKAB Cc1cc(C)c2nc3c(c([C@@H](O)[C@@H]4CCCCN4)c2c1)CC/C3=C/c1ccc(Cl)cc1 31761054 RBWRXGUYQAVWHA-QVXSYFJYSA-N 432.995 6.167 0 40 IKAB in-vitro C[C@@H](NC(=O)CCSc1nnc(-c2cccs2)n1Cc1ccccc1)c1ccccc1 32870752 CDZMARHFMDWKNS-GOSISDBHSA-N 448.617 5.415 0 40 IKAB COc1ccc(NC(=O)c2sc(NC(=O)c3ccccc3Cl)cc2C)cc1OC 32936120 OCXFNXLFGAUZOM-UHFFFAOYSA-N 430.913 5.232 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cccc3C)ccc2Cl)c1 34910254 ANQWBCVHEBSTNF-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB CN(Cc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1 37143099 KSLJKZMJRSEJEW-UHFFFAOYSA-N 426.429 5.328 0 40 IKAB CCOc1ccc(NC(=O)c2nnc3c(-c4cccc(Cl)c4)c(C(C)C)nn3c2C)cc1 40385023 XZWGMDLFQLCGRS-UHFFFAOYSA-N 449.942 5.528 0 40 IKAB CC(C)c1ccc(OCC(=O)Nc2ccc(Br)cc2)c(Br)c1 40942991 XLZKWLXIOJDFEX-UHFFFAOYSA-N 427.136 5.353 0 40 IKAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OCCSc3ccccc3)cc2)c1 44948329 FTOJZVKYTPINII-UHFFFAOYSA-N 435.545 5.595 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(Cl)cc1F 46022420 APDSOKAREXZCSW-UHFFFAOYSA-N 435.977 5.774 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2Cc2ccc(C)c(C)c2)cc1 57426324 OIDDDRRKJXTXJN-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB O=C(C1CCCCC1)N1CCC2(CC1)C[C@]1(CO2)Nc2cc(Cl)ccc2-n2cccc21 72327331 IJTSKMATKIOWSA-RUZDIDTESA-N 439.987 5.113 0 40 IKAB Cc1cc(Nc2ncc(C)s2)cc([C@H]2CCCN2C(=O)CCn2ncc3ccccc32)n1 72372567 ZJNOTXVOQIAEEI-JOCHJYFZSA-N 446.580 5.002 0 40 IKAB COc1ccc(C(=O)N2N=C(c3ccco3)C[C@@H]2c2ccc(Br)cc2)cc1 89438721 ILNGHAWAIKWMRM-LJQANCHMSA-N 425.282 5.042 0 40 IKAB CN(C)c1cc(C(F)(F)F)cc(-c2cccc(C(=O)Sc3ccc(Cl)cc3)c2)n1 91695136 QRRCQAHIOQJHEI-UHFFFAOYSA-N 436.886 6.419 0 40 IKAB ClC1=C(Cl)[C@]2(Cl)C[C@@H](COc3ccc(Cl)cc3)[C@@]1(Cl)C2(Cl)Cl 100360397 GRPJFZFIUCJBJN-YLJLNXRRSA-N 441.396 6.571 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102190342 MHPVRNIEPWMZQJ-KKXYHZGYSA-N 444.604 5.239 0 40 IKAB COc1ccc([C@H]2C3=C(O)C[C@@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1OC 102731723 CYLUTXFFSVLOFB-QMHKHESXSA-N 432.476 5.314 0 40 IKAB O=C1[C@@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccccc2Cl)C(=O)N1c1ccc(Cl)cc1 102736698 QDBHHIFPYJLHRN-PCCBWWKXSA-N 439.298 5.045 0 40 IKAB CCOc1ccc(/N=c2/scc(-c3ccc(OC(F)F)cc3)n2CCCOC)cc1 102962615 DEGYSRRDTSOBHX-YYDJUVGSSA-N 434.508 5.486 0 40 IKAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cn4ccnc4C(C)C)c3)c12 108216058 CVWCDQUREPVMSZ-UHFFFAOYSA-N 441.491 5.412 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H]5OC[C@@H](O)C[C@H]5C[C@]4(C)[C@H]3CC[C@@]21C 118936404 HIKOFMOIGVJKRE-WWKYUMQZSA-N 444.744 7.484 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@@H]1O[P@@](=O)(c1ccccc1)[C@@H](O)c1ccc2c(c1)OCO2 195528915 FDBXCQIAUYDMBI-VNQQAFLFSA-N 430.481 5.487 0 40 IKAB Cc1ccc(OCc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)o2)cc1C 216030874 FSJKZIHRRGXFMI-UHFFFAOYSA-N 437.443 5.015 0 40 IKAB O=C(NCCSCc1ccccc1Cl)c1ccc(CN2CCc3ccccc32)cc1 216263903 FPDZXCRJDZFGTQ-UHFFFAOYSA-N 437.008 5.566 0 40 IKAB CCOC(=O)c1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 216832041 ZBUXGROYYORHBI-UHFFFAOYSA-N 448.140 5.910 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)cc2Br)o1 222805675 GZHLAIILHRTLAG-WOJBJXKFSA-N 442.382 5.405 0 40 IKAB CC(C)N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Br)c1 222841285 XKINELQJKNQBND-UXHICEINSA-N 441.398 5.016 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@H](C)C(=O)NC(C)(C)C)cc1 222935744 WRHDOLWHQXLCSZ-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223362621 IGBXDDGYRXSVBC-OAQYLSRUSA-N 447.044 5.544 0 40 IKAB COc1cc(C)c([C@H](C)NC(=O)CSCc2ccc(Cl)cc2Cl)cc1C(C)C 223369786 QMDATZIXYLLLEA-HNNXBMFYSA-N 440.436 6.544 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccncc1 223489263 GCBXQDIDRJONSN-DHIUTWEWSA-N 445.979 5.093 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)(C)C)cc1 224186316 HTTPLFFKJKEVJM-AREMUKBSSA-N 442.603 5.092 0 40 IKAB CC[C@@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1 224299051 WXZZUPYJOVTPGY-HSZRJFAPSA-N 436.577 5.010 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224352305 XBLVMCHGXBZMDE-LOSJGSFVSA-N 430.621 6.128 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(-c3ccccc3)c2)cc1 224384744 OUUYMTWCNVHLBT-CLJLJLNGSA-N 438.600 6.173 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)cc1CSc1ccccc1 224652262 NBOIWBUFERHLQO-UHFFFAOYSA-N 432.372 6.937 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccc(Cl)cc1 224659697 YGNBRCVYOXEVJQ-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc4c(c3)OCCO4)o2)cc1 224919997 PRPFCTQHWQKFSK-UHFFFAOYSA-N 442.471 5.431 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccccc1 225136494 HOAMPGUTBILGLW-ROUUACIJSA-N 433.017 5.154 0 40 IKAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](Cc1ccccc1)C(=O)NC1CCCCC1 225348763 IRWRHRVGGLFFNE-XMMPIXPASA-N 441.015 5.529 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSc1ccccc1 225615014 QHRDLHCLBQYWTG-UWJYYQICSA-N 433.017 5.154 0 40 IKAB CCC1(CC)C[C@H](NS(=O)(=O)c2cc(C(C)C)c(OC)cc2C)c2ccccc2O1 225689085 GSHALHNVXNFRDO-FQEVSTJZSA-N 431.598 5.488 0 40 IKAB CC(C)CC[C@@]1(C)Oc2c(F)cccc2[C@H]2O[C@H]3CCN(C(=O)OC(C)(C)C)C[C@H]3C[C@@H]21 257234835 GVHFTOGVIIFKFK-CNGMTMIISA-N 447.591 6.116 0 40 IKAB Cc1ccc(Oc2ncccc2C(=O)N2CCC[C@H](Cc3cccc4cccnc34)C2)cn1 257271485 MYOAHZZKAKBCCN-HXUWFJFHSA-N 438.531 5.220 0 40 IKAB COCc1cc(CN2CCC[C@@H]2c2ccc(Cc3ccc(F)cc3)cn2)ccc1OC(C)C 257291552 QHMXNZLCYDDGMS-HHHXNRCGSA-N 448.582 6.082 0 40 IKAB O=C(O)c1cnc(N2CCCC[C@H]2CCc2ccccc2)nc1CCc1cccc(F)c1 257292887 QNIXVYBEMXKWAT-QFIPXVFZSA-N 433.527 5.091 0 40 IKAB C[C@@H]1[C@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 257350386 XCDQFROEGGNAER-HBQNJRDVSA-N 428.745 8.249 0 40 IKAB Cc1ccc(S(=O)(=O)[C@H](CC(=O)c2ccc(Cl)cc2)c2ccccc2Cl)cc1 408684731 NVQCVPLHWXDQQM-JOCHJYFZSA-N 433.356 6.090 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3cccc(C)c3)n2)cc1 408694972 NBIALHMGOLKOLY-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB COc1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCC5)cc2OC)cc1 408734755 JENFJDVMNSSQRR-UHFFFAOYSA-N 448.544 5.539 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3ccccc3F)cc2)C1=O 409060922 AHYIGDGZWOUGRN-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB COc1ccc(-n2c(Cc3ccccc3)nnc2SCCOc2ccc(C)cc2)cc1 409094336 DENRKPQNBBGLJO-UHFFFAOYSA-N 431.561 5.346 0 40 IKAB CC(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(Cl)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265106 VERXMSKELNNDBQ-BAMDZGJYSA-N 444.955 5.860 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1 900858 OXRAUTPDGIFVRT-CQSZACIVSA-N 445.466 5.484 0 40 IKAB CSc1ccc([C@@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 1298113 BDZCKMQGXQONBZ-JOCHJYFZSA-N 449.601 6.529 0 40 IKAB Cc1nc2c(cc1NC(=O)c1cccc(Cl)c1)nc(C)n2Cc1cccc(Cl)c1 1338747 RAPDTLSCTILPTG-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(C)cc3)C(=O)Nc3ccc(C)cc3)cc2c1 1360991 JGHIELVVQZYHJL-UHFFFAOYSA-N 439.559 5.942 0 40 IKAB COc1cc(Cl)ccc1NC(=O)Oc1cc(C)c(I)cc1C 1560680 UMFOMYZEZZDYTR-UHFFFAOYSA-N 431.657 5.181 0 40 IKAB Cc1ccc(C(C)(C)C)c(OCC(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c1 1808239 CLRUPSPKWGLTKV-UHFFFAOYSA-N 435.951 6.194 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3nc4ccc(C)cc4o3)c2)c(C)c1 1854507 JINVUSBZXKRPQR-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)c1ccc(F)cc1 2056893 FJLBTQQISCBNIM-UHFFFAOYSA-N 445.675 6.302 0 40 IKAB O=C(CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)CCC3)c1ccccc1 2287186 OOKPOCAJIJLIDC-UHFFFAOYSA-N 446.597 5.164 0 40 IKAB CC(C)c1nc2sc3c(SCc4ccccc4)ncnc3c2c2c1COC(C)(C)C2 2292411 QFGDLFCTQAVQKK-UHFFFAOYSA-N 435.618 6.507 0 40 IKAB Clc1ccc(Oc2cc(-c3nc(-c4ccc(Cl)cc4)cs3)cc(Cl)n2)cc1 2559306 SSKIVISLYUJSPO-UHFFFAOYSA-N 433.747 7.625 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)c2cc(C)n(Cc3cccs3)c2C)n1C 2616602 OSJNDWGFIOCJDL-UHFFFAOYSA-N 436.606 5.294 0 40 IKAB CCOc1ccc(-n2c(SCCOc3ccccc3C)nnc2-c2cccnc2)cc1 2634159 MJJRQDJQIKFNSP-UHFFFAOYSA-N 432.549 5.208 0 40 IKAB Cc1c(Sc2ccc(Cl)cc2)c2ccccn2c1C(=O)c1ccc(Cl)cc1Cl 3169074 WWUSODFTWIOADD-UHFFFAOYSA-N 446.786 7.590 0 40 IKAB O=C(Nc1cc(Cl)ccc1N1CCCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 3336429 QCGFVJZPQHDSKT-UHFFFAOYSA-N 436.783 6.230 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(NC3CCCCC3)s2)c2ccc(C)cc2)cc1 3357939 QWIVBGYIZIYBGO-JOCHJYFZSA-N 437.634 6.616 0 40 IKAB O=C(OCc1ccccc1)[C@H]1CCCN1c1nc(-c2ccc(Br)cc2)cs1 3618180 MTPDBPKFWDCGJO-LJQANCHMSA-N 443.366 5.285 0 40 IKAB biogenic,in-vitro CC[C@H](CC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(CO)[C@H]3CC[C@@]21C)C(C)C 4074064 BYLDLYWTMFKRNR-WESDPXPASA-N 430.717 6.997 0 40 IKAB biogenic Cc1cc(C)c(C)c(COc2ccc3c(C)c(Cc4ccccc4)c(=O)oc3c2C)c1C 5548301 FPBXGYJNGWNDOQ-UHFFFAOYSA-N 426.556 6.813 0 40 IKAB CCN(CC)CCOc1ccc(CN(C)C[C@@H](C)CCC2=C(C)CCCC2(C)C)cc1 8612747 MLQZBAKACJBTPP-QHCPKHFHSA-N 428.705 6.782 0 40 IKAB O=S(=O)(Cc1ccc(Cl)cc1)c1ccccc1-c1nnc(-c2ccc(Cl)cc2)o1 8666765 DHURWWPGSYVLLE-UHFFFAOYSA-N 445.327 5.684 0 40 IKAB aggregator COc1ccc2cc([C@H]3CC(c4ccccc4)=NN3C(=O)c3ccccc3)c(Cl)nc2c1 9008057 NLJOGGDLDQOWLM-XMMPIXPASA-N 441.918 5.888 0 40 IKAB C[C@H](Sc1nnc(Nc2ccc(Oc3ccccc3)cc2)s1)C(=O)N1CCCC1 9111709 RKZNVTJMQFCHRH-HNNXBMFYSA-N 426.567 5.177 0 40 IKAB Brc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 9158931 DOKAEKGYMXCJKA-CVDCTZTESA-N 449.304 5.420 0 40 IKAB c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(-c5cccnc5)nc4c32)cc1 9281746 BLNJOOVTPUGVIC-JOCHJYFZSA-N 427.467 5.625 0 40 IKAB Cc1ccc(-c2c([C@@H]3c4ccccc4C(=O)N3Cc3ccccc3)c3ccccc3n2C)cc1 9355486 ZEXRLACNYBWNQX-PMERELPUSA-N 442.562 6.899 0 40 IKAB C[C@H](Sc1nnnn1C1CCCCC1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1 9514394 ALQDFUKQTDLTFB-NSHDSACASA-N 444.611 5.058 0 40 IKAB O=C(/C=C/c1ccc(Br)s1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 9549665 BCHIZBCHUJSGTP-FSNWXROXSA-N 434.355 5.049 0 40 IKAB O=C(CN1CCCC1)Nc1cc(Oc2ccc(Br)cc2)ccc1C(F)(F)F 9592717 KGMIMUMZDHIFLX-UHFFFAOYSA-N 443.263 5.295 0 40 IKAB CCOc1ccc(-c2cc(=O)c3cc(NC(=O)c4cc(OC)cc(OC)c4)ccc3o2)cc1 9660250 DUUAAJKZPIOTKF-UHFFFAOYSA-N 445.471 5.128 0 40 IKAB biogenic Cc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc23)cc1 9969481 NBWXRGLTQOVWNC-UHFFFAOYSA-N 429.541 5.532 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccccc1F)N(c1nccs1)C3=O 10233032 RUKVONVVJQCVEM-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB Clc1ccc(CSc2nnc(Cc3ccc(Br)cc3)o2)c(Cl)c1 10475615 NOHNVHXNIVXFNV-UHFFFAOYSA-N 430.154 6.022 0 40 IKAB COc1ccc(NC(=O)c2oc3ccccc3c2NC(=O)COc2ccc(C)cc2)cc1 11758397 ZRPRTFCKYLFDTG-UHFFFAOYSA-N 430.460 5.020 0 40 IKAB O=C(Cc1csc(-c2cccc(F)c2)n1)Nc1cc(Cl)ccc1OCC(F)(F)F 12805741 LKAPFFNSHYNADX-UHFFFAOYSA-N 444.837 5.725 0 40 IKAB Cc1cc(SCC(=O)N(Cc2ccccc2)Cc2ccccc2)nc2c(C)cccc12 13129522 ATWUCBXJFJEBMO-UHFFFAOYSA-N 426.585 6.173 0 40 IKAB Oc1ccc2ccccc2c1C=C(c1nc2ccccc2s1)c1nc2ccccc2s1 13304070 QSTHGQQKKLEFQL-UHFFFAOYSA-N 436.561 7.354 0 40 IKAB c1ccc(CCn2nnnc2[C@@H](c2cccs2)N2CCC(Cc3ccccc3)CC2)cc1 13511617 LNXTVSGBJMSVMW-RUZDIDTESA-N 443.620 5.021 0 40 IKAB Cc1cc(C)cc(NC(=O)N(Cc2cc3cc(C)ccc3n3nnnc23)C2CCCCC2)c1 13568284 HBWOLQCFBOKIMI-UHFFFAOYSA-N 442.567 5.570 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cccc(Cl)c2Cl)cc1 14155830 GCTHFNNLSFYIQK-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(Nc2ccc(C(N)=O)cc2)n2nc(C(F)(F)F)c(-c3ccccc3Cl)c2n1 15670907 RMHGTDNVUXQZSW-UHFFFAOYSA-N 445.832 5.219 0 40 IKAB COc1c(Br)cc(Br)cc1C(=O)Nc1ccccc1C(C)C 17095243 BPVBLWGNVHCRON-UHFFFAOYSA-N 427.136 5.596 0 40 IKAB CCCC[C@H](CC)CN(C[C@H](CC)CCCC)C(=O)[C@@H](C)OC(=O)[C@@H](CC)CCCC 17146185 IMSODBOSRXBZSK-NGSHPTGOSA-N 439.725 7.396 0 40 IKAB COc1cccc(Cc2ccc([C@@H]3CCCN(C(=O)c4cccc5ncccc45)C3)nc2)c1 19688283 ZRRUSUJMGDQKHK-JOCHJYFZSA-N 437.543 5.249 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C(=C/c2ccccc2Cl)c2ccccc2)cc1Cl 20459110 CIZVOKVZVMPWBM-XSFVSMFZSA-N 440.326 6.349 0 40 IKAB CC(C)OC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 20549804 PNFWXWGXMHPQBR-GJZGRUSLSA-N 449.956 5.463 0 40 IKAB CCCCOc1ccccc1-c1cc(-c2nc(-c3ccc(Br)cc3)no2)[nH]n1 20986686 MXGSFBGJVXXGRY-UHFFFAOYSA-N 439.313 5.735 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 24843409 OYOMQARXXLVTDW-SANMLTNESA-N 429.564 5.868 0 40 IKAB O=C(c1ccccc1-c1ncc(-c2ccccc2)o1)N1CCN(Cc2cccs2)CC1 25065363 MFKYIZFSTHCCFA-UHFFFAOYSA-N 429.545 5.028 0 40 IKAB CCCCCn1c(SCC(=O)Nc2cccc(Br)c2)nc2ccccc21 25387453 DLPJKAGLAVNVJV-UHFFFAOYSA-N 432.387 5.720 0 40 IKAB CC(C)Oc1ccc(C(=O)NC(=S)NNc2c(Cl)cc(Cl)cc2Cl)cc1 27839575 FLAWKCYLGYTLMC-UHFFFAOYSA-N 432.760 5.065 0 40 IKAB CCc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=N[C@H](CC)CS2)cc1 28114363 JZBNVFKLVIWCBJ-GOSISDBHSA-N 431.399 5.582 0 40 IKAB O=C(/C=C/c1ccc(Br)o1)Nc1cccc(NC(=O)Nc2ccccc2)c1 32900604 JAIMHFAHCYPIFC-ZRDIBKRKSA-N 426.270 5.338 0 40 IKAB O=C(N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2)OCC1c2ccccc2-c2ccccc21 38665702 YKDNBNMLFPFDRJ-VHPSJOIFSA-N 431.532 5.195 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38835015 YWERSXHKMHUYHW-GFCCVEGCSA-N 432.178 6.151 0 40 IKAB CC(C)Sc1ccccc1C(=O)N1CCN([C@H](C)c2nc3ccccc3s2)CC1 39980591 GLPODVKFDGYURW-QGZVFWFLSA-N 425.623 5.316 0 40 IKAB Fc1ccc(CSc2ncc(-c3ccccc3)n2-c2cccc(C(F)(F)F)c2)cc1 44087708 OVOCNBKLVMIHNB-UHFFFAOYSA-N 428.454 6.990 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1cccs1)Nc1ccccc1C(F)(F)F 46022282 WRIYBYQXCBNGLC-UHFFFAOYSA-N 437.512 5.610 0 40 IKAB O=C(Nc1ccccn1)c1cc2ccc(O)cc2o/c1=N\c1cccc(C(F)(F)F)c1 67293338 YNHJXBJALSTGII-MEFGMAGPSA-N 425.366 5.037 0 40 IKAB Cc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccc(Cl)c(Cl)c2)cc1 72332610 KFXIRDYUFKJWPD-FYYLOGMGSA-N 443.761 7.198 0 40 IKAB CCOc1cccc(CNCCCCc2nc(-c3cccnc3)cs2)c1OC(F)F 78869810 XSJFDATYXQTCMU-UHFFFAOYSA-N 433.524 5.318 0 40 IKAB O=C(Nc1cc(F)cc(F)c1)c1cc2c(c3ccccc3n2CC2CC2)n1-c1ncccn1 96037439 AQWOEDCRFXCKLZ-UHFFFAOYSA-N 443.457 5.316 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)(C)C)cc1 222492789 RNIYJZXEPDCKTA-XMMPIXPASA-N 438.612 5.003 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)COc1cccc2ccccc12 223257645 SYPPUEWMKMNXSM-DEOSSOPVSA-N 446.591 5.249 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN(c1ccc(C(C)C)cc1)S(=O)(=O)c1ccccc1 223475541 YUZFWPPRCIMRSA-NRFANRHFSA-N 444.641 5.338 0 40 IKAB Cc1ccc(C)c([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224034805 PURMAJPVFFQXTA-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1cc(C(=O)N(C)Cc2cccc3ccccc23)ccc1NS(=O)(=O)c1ccccc1 224089506 OFGCAHIXSXRRDR-UHFFFAOYSA-N 444.556 5.221 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccc(C(C)(C)C)cc1 224188760 ZORCYYHHMAVIEL-GOSISDBHSA-N 435.539 6.202 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COc1ccccc1C(C)(C)C 224511738 WWLAZXJXZOINSA-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB Cc1ccccc1Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccco2)cc1 224657566 SYWNUZNKEAFKPM-ZEQRLZLVSA-N 427.529 5.952 0 40 IKAB CCCCOCc1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)ccc1OCC 224728240 GJJRLBXSWHHVIO-UHFFFAOYSA-N 433.548 6.233 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2)[C@H](Cc2ccccc2)C(=O)NC(C)C)cc1 224754733 JXEFIKDSSRYBIQ-HHHXNRCGSA-N 442.603 5.092 0 40 IKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Br)cc2F)cc1OCC 225750816 YJPBTHHCRNULKZ-LBPRGKRZSA-N 441.366 5.433 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccc(C(F)(F)F)cc1 225831900 FVFLYRPCHSKMSS-UHFFFAOYSA-N 437.421 5.994 0 40 IKAB CCOCc1ccc(C(=O)NC[C@H]2CC[C@H](c3n[nH]cc3-c3ccncc3C)CC2)cc1 257202257 ALBNKSCAOHSMKV-XUTJKUGGSA-N 432.568 5.020 0 40 IKAB Cc1[nH]c2cc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)ccc2c1C 257222041 DRQLPWQOSKSDOZ-OAQYLSRUSA-N 427.523 6.006 0 40 IKAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)CCc4c[nH]c5ccccc45)C3)nc2)c1 257229871 FZVGQUXJOPQNJE-VWLOTQADSA-N 437.587 5.801 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)Nc3ccc(Br)cc3F)cc2)cc1 408545428 LNEHDHPVTUKQJW-UHFFFAOYSA-N 430.342 6.441 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(C)c(C)c2)n1 408696822 CGSPKFHQSOEIQR-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB O=C(NC1CCCCC1)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703445 GAYCOVWYDYDNFM-HSZRJFAPSA-N 428.985 5.177 0 40 IKAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1 409268555 VRPQNRHCPDLEQL-UHFFFAOYSA-N 438.980 6.024 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(/C=C2/SC(=O)N(c3ccccc3)C2=O)cc1 409364977 XAWAKVZOOZGQOI-PXLXIMEGSA-N 444.512 5.253 0 40 IKAB CC1(C)Oc2c(Br)cccc2[C@H]2O[C@@H](CCc3ccccc3)[C@@H](C(=O)O)C[C@@H]21 585264820 PKHYMKJAQYIUFD-QGZVKYPTSA-N 445.353 5.400 0 40 IKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2cccc(Cl)c2)n1 585265727 QDJYDAMHXFYYFE-UHFFFAOYSA-N 432.303 6.121 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cnn(-c2ccccc2)c1-c1ccccc1 633022 RHGNZIKOLOCWBP-UHFFFAOYSA-N 431.495 6.584 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(C)c4C)CC3)c3ccccc3n2)o1 689358 JAZRMDLUYBYDLK-UHFFFAOYSA-N 425.532 5.382 0 40 IKAB Cc1cccc(C(=O)Nc2c(C(=O)Nc3cccc4ccccc34)cnn2-c2ccccc2)c1 708349 BJFKIPLHKCCUJD-UHFFFAOYSA-N 446.510 5.839 0 40 IKAB Cc1sc2ncnc(SCC(=O)N(Cc3ccccc3)c3ccc(F)cc3)c2c1C 928951 QZNBWPYNQLBRES-UHFFFAOYSA-N 437.565 5.773 0 40 IKAB COc1ccccc1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)c1ccccc1F 1359486 SKZVCLVVSACAQM-UHFFFAOYSA-N 444.506 5.135 0 40 IKAB Cc1ccc(NC2=C[C@H](c3ccc(Br)cc3)N(c3ccc(C)cc3)C2=O)cc1 1834989 JWNYJCDELWBNQD-HSZRJFAPSA-N 433.349 6.150 0 40 IKAB CCc1ccc2nc(-c3ccc(F)cc3)nc(SCC(=O)Nc3cccc(C)c3C)c2c1 2074111 XLPAXGQNZVAQLW-UHFFFAOYSA-N 445.563 6.346 0 40 IKAB CC(=O)Oc1ccc2c(-c3cc4cc(Cl)cc(Cl)c4oc3=O)cc(=O)oc2c1C 2117777 GRDFOTFWUIDRIS-UHFFFAOYSA-N 431.227 5.107 0 40 IKAB biogenic S=C1NC(c2ccccc2)=C[C@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1 2180904 MYSWBDNANZEIID-HSZRJFAPSA-N 442.975 5.753 0 40 IKAB COc1ccccc1Oc1cnc(N)nc1-c1ccc(OCc2cccc(Cl)c2)cc1O 2329334 FURRXROMOYHUTQ-UHFFFAOYSA-N 449.894 5.465 0 40 IKAB biogenic COc1ccc(-n2c(SCC(=O)Nc3ccc(F)cc3)nnc2-c2cccc(C)c2)cc1 2452450 ILCOLUODNLWXIR-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB Clc1ccc(Cl)c(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)c1Cl 2521601 HHXNVASVVVNNDG-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic C[C@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)csc2C1 2639844 KZQWWCPMOJEDMF-JTQLQIEISA-N 431.863 5.341 0 40 IKAB CCCCCSc1nnc2c(n1)O[C@H](c1ccccc1OCCC)Nc1ccccc1-2 2742941 QMKJXACSRUTRRC-JOCHJYFZSA-N 436.581 6.113 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@H](C)Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1 2799964 NCMXVCLEINHYDT-HNNXBMFYSA-N 431.483 5.899 0 40 IKAB COc1cccc(NC(=O)[C@H](OC(=O)c2cc3ccccc3cc2OC)c2ccccc2)c1 3244224 VTIHWPIWRXROGL-RUZDIDTESA-N 441.483 5.394 0 40 IKAB CCCCCCc1cc2c3c(c(=O)oc2cc1OCC(=O)Nc1cc(C)ccc1C)CCC3 3256015 ASYXHSAPBZPBNG-UHFFFAOYSA-N 447.575 6.039 0 40 IKAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(Cl)cc3)cc2)n1 3305985 YYIAVPDVPYHQAS-UHFFFAOYSA-N 444.922 5.647 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2Cl)n1C1CCCC1)C(=O)N(C)c1ccccc1 3352052 MXLMCJDYLIFGOG-INIZCTEOSA-N 441.000 5.857 0 40 IKAB CCCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNC(=O)OC(C)(C)C)c12 4046003 OXVVTEDWDFCUSB-UHFFFAOYSA-N 431.529 5.044 0 40 IKAB biogenic Oc1ccc2ccccc2c1C(c1ccc(Cl)c(Cl)c1)c1c(O)ccc2ccccc12 4276745 JYCJMWYFLAEPFC-UHFFFAOYSA-N 445.345 7.891 0 40 IKAB O=C([C@@H]1[C@H](c2ccccc2)N1C1CCCCC1)[C@@H]1[C@@H](c2ccccc2)N1C1CCCCC1 4726410 YKMHGWDVZGNAER-GCPDFLFISA-N 428.620 6.072 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4s3)c2)cc1 5950094 YXFBOIBVSNACSO-UHFFFAOYSA-N 447.585 5.667 0 40 IKAB CCC1=C[C@](C)(CC)Nc2ccc(C(c3ccccc3)(c3ccccc3)c3ccccc3)cc21 6077822 RBHPFOOQFJIKCB-YTTGMZPUSA-N 443.634 8.457 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(C3CCCCC3)S(=O)(=O)c3ccc(Cl)cc3)cc2c1 6408070 KWBSZVQRYBBURV-UHFFFAOYSA-N 444.984 5.014 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)OCC(=O)O[C@@H]3C[C@H](C)CC[C@H]3C(C)C)ccc2c1 6523111 MIQWJXJGTXMVNG-HJOCRKTISA-N 426.553 5.499 0 40 IKAB CCOc1cc(NC(=O)C2CC2)c(OCC)cc1NC(=O)COc1cccc2ccccc12 6600290 AELAZGDSAXPHTD-UHFFFAOYSA-N 448.519 5.003 0 40 IKAB O=C1CCCC(=O)C12Cc1cc(C(F)(F)F)ccc1N1CC[C@H](c3ccccc3)C[C@H]12 8773746 RRYJEBVHIBXFON-UWJYYQICSA-N 427.466 5.323 0 40 IKAB CC(C)c1ccc(/C=C/[C@@]23N(Cc4ccccc4)C(=O)CN2c2ccccc2C3(C)C)cc1 8781212 DAUHQFMSTJQIAD-FJHZZIEGSA-N 436.599 6.360 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)c2C(N)=O)C1 8832467 GUNSPQJZOQQFNN-SNVBAGLBSA-N 449.359 5.791 0 40 IKAB COCCn1c(-c2ccccc2)c(NC(=O)c2ccccc2)s/c1=N\c1ccccc1 8914467 RUZAREAIOWFWCL-QPLCGJKRSA-N 429.545 5.348 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(Oc2ccccc2)c1 9409227 KPTWETKKHHTMIL-RUZDIDTESA-N 425.488 5.530 0 40 IKAB CCCN(C[C@H]1COc2ccccc2O1)C(=S)Nc1ccc(Oc2ccccc2)cc1 9441881 CERYLEGTKYGNFA-QFIPXVFZSA-N 434.561 5.728 0 40 IKAB COc1ccc(C2=NN(C(=O)CSCc3ccccc3)[C@H](c3ccc(F)cc3)C2)cc1 9444074 SPXQDZVNCZNTRS-DEOSSOPVSA-N 434.536 5.445 0 40 IKAB Cc1cc(C(=O)O[C@H](C(=O)Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2)no1 9864241 NRCZEDGTHCQXAR-KRWDZBQOSA-N 438.789 5.192 0 40 IKAB Cc1ccc2[nH]c(-c3cccs3)c(CCC(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)c2c1 9871687 VTLMSBPDBAAREX-OAHLLOKOSA-N 445.544 5.496 0 40 IKAB Cc1ccc(-n2cnnc2SCC(=O)N[C@@H](C)c2cccc3ccccc23)cc1Cl 10037340 MWZWWGHQGDXIQW-INIZCTEOSA-N 436.968 5.352 0 40 IKAB CCc1sc(NC(=O)c2cc(Cl)c(NC(C)=O)cc2OC)nc1-c1ccccc1 10060206 IVLPTWLUXBEZFM-UHFFFAOYSA-N 429.929 5.245 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)c4cccc5c(Cl)cccc45)cc3)oc2cc1C 10120388 RYBDXNUPAYMTTA-UHFFFAOYSA-N 440.930 6.848 0 40 IKAB NC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccccc23)sc2c1CCCCC2 11024925 LRLUWPDQLSRPNT-UHFFFAOYSA-N 441.556 5.583 0 40 IKAB Cc1nn(-c2ccccc2)c(N)c1C(c1ccsc1)c1c(C)nn(-c2ccccc2)c1N 12500129 XSJUFOOONPYBFF-UHFFFAOYSA-N 440.576 5.081 0 40 IKAB CCN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1ccccc1Cc1ccccc1 12693287 KJQXVRBPMHYJPK-UHFFFAOYSA-N 440.465 5.397 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2C(F)(F)F)s1)c1nnc(-c2ccccc2)o1 13148680 AXYZNWWKHQMGPT-LLVKDONJSA-N 449.483 6.204 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)c1ccc(OCc2ccccc2Cl)cc1 13687541 ARFPQPJBVBBQLQ-UHFFFAOYSA-N 446.399 6.236 0 40 IKAB CCn1c(COc2ccc(C)cc2C)nnc1SCC(=O)Nc1cccc(Cl)c1C 13879585 QNIILGUAUFKQHO-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB CCc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 14272152 ZCELHCQFWLDUIJ-UHFFFAOYSA-N 441.314 6.382 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(NC(=O)c3ccccc3Cl)c(OC)c2)cc1 17102816 DNKIYRQUWIAVKE-UHFFFAOYSA-N 438.911 5.642 0 40 IKAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2)c1ccc(C(F)(F)F)cc1 17169922 KAKBETBYBJJEKB-UHFFFAOYSA-N 430.451 5.612 0 40 IKAB COc1ccc(-c2c/c(=N/c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3o2)cc1 18061448 DDEYQXWHUSNBFG-NFFVHWSESA-N 437.499 5.139 0 40 IKAB Cc1ccc(-c2ccccc2CC2(C(=O)NCCc3ccncc3)CCOCC2)c(C)c1 19132886 NUQWBTRWCZEBMR-UHFFFAOYSA-N 428.576 5.064 0 40 IKAB Cc1c(Cl)ccc2c(C(=O)Nc3ccc(Cl)c(Cl)c3)cc(-c3ccccc3)nc12 19634865 YUMFHJKWYILVTM-UHFFFAOYSA-N 441.745 7.423 0 40 IKAB Cc1cccc(C(=O)NC(NCC23CC4CC(CC(C4)C2)C3)(C(F)(F)F)C(F)(F)F)c1 19848301 MQCRYVUWGIJILV-UHFFFAOYSA-N 448.451 5.352 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CCCCN2C(=O)c2cccs2)c1 25613828 OPEVBYZQSASMLT-HXUWFJFHSA-N 448.548 5.026 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 30998727 VWRUOLRRXBSIDA-XMMPIXPASA-N 431.923 5.316 0 40 IKAB CC(C)c1ccc(Cn2c(COc3ccc(Cl)cc3Cl)nc3ccccc32)cc1 32664088 IJSUGTDLSXDELK-UHFFFAOYSA-N 425.359 7.094 0 40 IKAB Cc1ccc(-c2noc(CSc3ccc(-c4cccc(Br)c4)nn3)n2)cc1 33021939 QPYIGFCMLWHHTL-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB COc1cc(-c2ccccc2)nc2ccc(NC(=O)Nc3ccccc3C(F)(F)F)cc12 33129173 DHKXCBSUPUFNPJ-UHFFFAOYSA-N 437.421 6.573 0 40 IKAB Cc1cc(C)c2cc(CN(Cc3cccnc3)C(=O)Nc3ccccc3F)c(Cl)nc2c1 35290144 WINKWKDDYDGBRP-UHFFFAOYSA-N 448.929 6.273 0 40 IKAB COc1ccccc1OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@@H]1c1ccco1 40158962 SOJDOXYXNCNABX-SVHXJJPGSA-N 432.476 5.083 0 40 IKAB Cc1ccc(CSc2nc3c(sc4ncccc43)c(=O)n2Cc2ccc(F)cc2)cc1 45923676 PQDBDJYHPDYRBE-UHFFFAOYSA-N 447.560 5.794 0 40 IKAB Cc1ccc(C)c(CSc2nnc3n(Cc4cccs4)c(=O)c4sccc4n23)c1 45924503 HHGIPLWJFHASHZ-UHFFFAOYSA-N 438.603 5.125 0 40 IKAB O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H]2CCCN(Cc3ccccc3)C2)c1 48343446 JMSBPJXVSNBOCI-NRFANRHFSA-N 428.536 5.181 0 40 IKAB COc1cc2ccccc2cc1C(=O)Nc1cc(C)c(I)c(C)c1 57313863 AWNKQMUJZXOXHV-UHFFFAOYSA-N 431.273 5.322 0 40 IKAB Cc1c(Cl)cccc1NC(=O)CSc1nc2ccsc2c(=O)n1CCC(C)C 57426042 GCHWZILGPDVXDM-UHFFFAOYSA-N 436.002 5.197 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)s1 68713029 FLKIUXABHPZTPP-HSZRJFAPSA-N 425.937 5.026 0 40 IKAB Cc1cc(Cc2ccccc2Cl)cc([C@H]2CCCN(C(=O)c3cnc(C)nc3C)C2)n1 72354167 PZEPIRSACFJIAE-NRFANRHFSA-N 434.971 5.061 0 40 IKAB Cc1ccn2cc(C(=O)N3CCC[C@H](c4cc(Cc5ccccc5C)cc(C)n4)C3)nc2c1 72354194 LFIOLRPGPJQVMK-DEOSSOPVSA-N 438.575 5.265 0 40 IKAB CC[C@H](CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3C[C@H](O)[C@@]4(O)C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C)C(C)C 85432348 VGSSUFQMXBFFTM-IDHFHSSBSA-N 448.732 6.190 0 40 IKAB O=C(c1cccnc1)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 89793919 ZXXATUVQVXOJBR-PRQANMOTSA-N 429.470 5.797 0 40 IKAB CC(C)Sc1ccc(CC(=O)N2CCC(Oc3ccc(C(F)(F)F)cn3)CC2)cc1 90607572 YCLZGZZPBKNPSI-UHFFFAOYSA-N 438.515 5.213 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(COc3ccc4ccccc4c3C)n2C)c1 101189335 BRIJMGACHKLOEZ-UHFFFAOYSA-N 446.576 5.203 0 40 IKAB CCO[C@@]1(C)CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118930813 FJYXPDKTLJKYNH-UFTLLSGWSA-N 428.745 8.823 0 40 IKAB Cc1ccc(-c2nc3ccccc3c(C(=O)OCC(=O)Nc3c(C)cccc3C)c2C)cc1 138705463 SJQXTKOOEJHUCQ-UHFFFAOYSA-N 438.527 5.931 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(CSc2ccccc2)cc1 222684833 CHUKIPWDWFNDLJ-UHFFFAOYSA-N 428.022 7.143 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1C(C)C 223350370 FSOPVIHUKFSXCC-LJQANCHMSA-N 426.576 5.356 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223596814 LOBMAQZAMGVZLP-HSZRJFAPSA-N 426.626 5.034 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccc(S(=O)(=O)Nc2ccccc2)c1 223916252 SINQWJCVEGWKEJ-UHFFFAOYSA-N 444.512 5.532 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 224144788 JWTWIZAYJBMPCC-XMMPIXPASA-N 438.637 5.176 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)cc(C)c1 224366139 NWSKNCVKVCLGKK-DEOSSOPVSA-N 441.015 5.366 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1cc(C)cc(C)c1C 224616904 MYXZAFXLWWILGO-HXUWFJFHSA-N 435.539 6.220 0 40 IKAB CCN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 224651023 KXIFZBJKVBDJMY-UHFFFAOYSA-N 439.621 5.687 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(Br)s2)ccc1F 224889207 FNJANNISBLKZDW-QZTJIDSGSA-N 448.386 5.530 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCSCc1ccccc1 225577774 STVUVWSMIUBGOQ-URXFXBBRSA-N 440.653 5.340 0 40 IKAB FC(F)(F)c1cccc(C2(NC(=S)Nc3cccc(Br)c3)CCCC2)c1 225845519 LTAPUTUYMLXEQV-UHFFFAOYSA-N 443.332 6.224 0 40 IKAB O=C(NCCNc1ccnc2cc(Cl)ccc12)c1cc(-c2ccc(Cl)cc2)on1 225899104 ZUANZSFJPSRARG-UHFFFAOYSA-N 427.291 5.039 0 40 IKAB S=C(Nc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1)NC1CCCCCC1 226010797 QKLDKSJFQPEKKO-UHFFFAOYSA-N 444.693 5.247 0 40 IKAB O=C(CCc1cccc(Oc2ccc(F)cc2)c1)N[C@H](c1cccnc1)C1CCOCC1 245180712 ZHLOYAOXXLAFJO-SANMLTNESA-N 434.511 5.230 0 40 IKAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H](c4ncc(Cc5ccc(Cl)cc5)o4)C3)c2c1 257199782 AAUOQTXCPKVXRK-KRWDZBQOSA-N 449.938 5.429 0 40 IKAB Cc1nnc(S/C(=C\c2c(OCc3ccccc3F)ccc3ccccc23)C(=O)O)o1 408633087 VVHVWPZKHDFPBW-MTJSOVHGSA-N 436.464 5.467 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccccc2C)c1 408696322 ZSRUUXMVGVCOMW-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CC1=C(C(N)=O)[C@H](c2cccc(Cl)c2Cl)NC(SCc2ccccc2Cl)=N1 408987142 DRGKMTGWUZXQKE-KRWDZBQOSA-N 440.783 5.340 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(C)C 409002470 NQCZSDPCPQRUDV-DEOSSOPVSA-N 434.967 5.560 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)cc1 409113397 APQBXHYLFFQCMJ-UHFFFAOYSA-N 446.366 5.446 0 40 IKAB COc1cc(CNc2ccc(C)c(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409255400 KAPQLDCJHKJZEP-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCc1ccc(NC(=O)CN(C2CCCCC2)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 409367082 DOGZCFDBQKHMQN-UHFFFAOYSA-N 442.625 5.136 0 40 IKAB CC(=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccc(C)c(Br)c3)C(=O)[C@H]21)c1ccccc1 409371040 FMUIQNIANCYZIK-MCEIDBOGSA-N 434.333 5.153 0 40 IKAB O=C1CS[C]2NC3=C(CCC/C3=C\c3ccc(Cl)cc3)[C@@H](c3ccc(Cl)cc3)N21 409416320 VHHLTEXNQLMOOY-CNCHJIQNSA-N 442.391 6.182 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cccs2)Cc2cc3ccc(C)cc3[nH]c2=O)c(C)c1 884479 BEYROCLWVAIJNG-UHFFFAOYSA-N 447.629 5.914 0 40 IKAB CSc1ccc(/C=C2\CCCC3=C2N=C2N=CNN2[C@H]3c2ccc(SC)cc2)cc1 1061098 QWWLGCRNAKLDCV-OTRAAIJSSA-N 432.618 5.911 0 40 IKAB CCc1cc([C@@H](c2cccc(OC)c2)N2CCC(C)CC2)c(NC(=O)c2ccccc2)s1 1235990 KJZITLVURIBBHV-RUZDIDTESA-N 448.632 6.393 0 40 IKAB COC(=O)C1=C(NC(=O)Nc2ccc(Cl)cc2)OC(C)(C)[C@@H]1c1ccc(Cl)cc1 1726084 GMTCMRFUDRODBO-QGZVFWFLSA-N 435.307 5.092 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)Nc1c(Cl)cc(Cl)cc1Cl 1732169 JQCLHEPBRRRFKB-UHFFFAOYSA-N 433.933 6.625 0 40 IKAB Cc1ccc(Br)cc1SCC(=O)Oc1c(C)cc(Br)cc1C 1791488 IEOPFDUDCOQKOD-UHFFFAOYSA-N 444.188 5.835 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(-c5ccc6ccccc6c5O)nc4c23)C1 1897314 PGYDMCASXVERJN-OAHLLOKOSA-N 428.561 6.016 0 40 IKAB COc1ccc(CNC(=O)c2cc3c([nH]c4ccccc43)c(-c3ccccc3Cl)n2)cc1 2117512 REQXHPHHKHUFMX-UHFFFAOYSA-N 441.918 5.975 0 40 IKAB biogenic COc1ccc(N/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)c3ccccc32)cc1Cl 2242376 WFMDSZLIVROITQ-KGENOOAVSA-N 432.907 5.605 0 40 IKAB Fc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(F)cc2)cc1 2254026 QPEYPTRPRMVWMZ-XZOQPEGZSA-N 448.860 5.422 0 40 IKAB CCCCSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2 2296150 GGAKEWZPXGSWTI-UHFFFAOYSA-N 444.644 6.858 0 40 IKAB biogenic Cc1cc(C(=O)CSc2nnc3c(Cl)cc(Cl)cn23)c(C)n1Cc1ccco1 2660891 JVGKRNDUWBYMIK-UHFFFAOYSA-N 435.336 5.071 0 40 IKAB COc1cc2c3nnc(-c4ccc(F)cc4)c-3cn(Cc3ccc(C)cc3)c2cc1OC 2691344 UDBULEMYJGHWPM-UHFFFAOYSA-N 427.479 5.716 0 40 IKAB O=S(=O)(c1ccc2ccccc2c1)N1CCN=C1SCc1cccc2ccccc12 2711771 ALRUKSLUUSHSCZ-UHFFFAOYSA-N 432.570 5.287 0 40 IKAB Cc1cccc(Cn2ccc(NC(=S)N(Cc3ccccc3)Cc3ccccc3)n2)c1 2733599 YVQPPTRTRPEAAV-UHFFFAOYSA-N 426.589 5.639 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)sc(C)c1C 3288571 BHBHBUYVONHIKQ-UHFFFAOYSA-N 445.544 5.647 0 40 IKAB O=C(c1c[nH]c2ccccc12)[C@@H](Sc1nnc2sc3ccccc3n12)c1ccccc1 3331738 MAWAJVRPNKNKJH-QFIPXVFZSA-N 440.553 6.142 0 40 IKAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1c(C(=O)c2ccc(F)cc2)oc2ccccc12 3655537 RNRJAUIKCOJUQP-CQSZACIVSA-N 437.854 5.862 0 40 IKAB CCCC(=O)Nc1ccc2nc(SCc3c(C)cc(C(C)(C)C)cc3C)sc2c1 4670964 FAEIXUWUJLRVFM-UHFFFAOYSA-N 426.651 7.242 0 40 IKAB COc1ccc(Cc2ccccc2C(O)(c2ccccc2OC)c2ccccc2OC)cc1 4683140 VNAOHGRVTBNEMI-UHFFFAOYSA-N 440.539 5.587 0 40 IKAB CCCCCCc1ccc(NC(=S)N[C@@H](NC(=O)OC)C(Cl)(Cl)Cl)cc1 6077883 FGELJTGCOGMKPW-AWEZNQCLSA-N 440.824 5.148 0 40 IKAB O=C(c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 8431671 WBKNHCQLPMRUBW-XQEAGORVSA-N 426.947 6.777 0 40 IKAB Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4cccs4)=NN32)cc1F 9076236 STGYRQHAKGNANI-YLJYHZDGSA-N 447.304 6.031 0 40 IKAB COc1cccc2c1OC1(CCC(c3ccccc3)CC1)N1N=C(c3cccs3)C[C@@H]21 9087874 IONMOTAOZJFGJH-YVLJNVBMSA-N 430.573 6.354 0 40 IKAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccc(C(C)(C)C)cc1 9253517 AQFRYHVALHOLFK-HXUWFJFHSA-N 446.528 5.305 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccncc2)cc1C 9296253 WABAOYZLPBJIDL-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CC(=O)Oc1ccc(-c2ccc(C(=O)OCC(=O)Nc3cccc(Cl)c3C)cc2)cc1 9439071 GYUVGMIHCRXIML-UHFFFAOYSA-N 437.879 5.036 0 40 IKAB COc1cccc2cc(-c3cc(=O)oc4cc(C)c(OCC(=O)OC(C)(C)C)cc34)oc12 9708079 PWAPWMZUOFLEER-UHFFFAOYSA-N 436.460 5.244 0 40 IKAB biogenic CCN(CC)CCN(C(=O)c1ccc2ccccc2c1)c1nc2ccc(OC)cc2s1 10066435 MREASXBGPFKZAK-UHFFFAOYSA-N 433.577 5.447 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)COc4cc(C)c(Cl)c(C)c4)cc3)oc2cc1C 10120448 DDICAGHSPYDIAH-UHFFFAOYSA-N 448.950 6.077 0 40 IKAB O=C(Nc1ccc(CSc2ccccc2)cc1)c1ccccc1SCc1ccccc1 10323990 XZVHFRODQBNWIM-UHFFFAOYSA-N 441.621 7.524 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccccc4)=NN23)c(Cl)c1 12276070 MABCNGAYVJTSEX-IRLDBZIGSA-N 429.734 6.889 0 40 IKAB COc1cccc(-c2nnc(SCc3ncc(-c4ccccc4)o3)n2-c2ccccc2)c1 12558608 OYCMKQATKFGGGS-UHFFFAOYSA-N 440.528 5.890 0 40 IKAB CCn1c(SCCC(=O)Nc2ccccc2Oc2ccccc2)nnc1-c1ccco1 12777481 LRGQMLWIGUQSPR-UHFFFAOYSA-N 434.521 5.471 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccc(F)cc4)CC3)cc2)cc1Cl 12843151 YISLDXQGRCPAHH-UHFFFAOYSA-N 437.946 5.362 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)c3cc(C)ccc3C)C3CCCCC3)n2)cc1OC 12843414 HMVPODMUNGJLRR-UHFFFAOYSA-N 449.551 5.346 0 40 IKAB Cc1nc(-c2cccc(NC(=O)CSc3nnc(-c4ccc(F)cc4)o3)c2)cs1 12850192 URYLEYZXCTVNME-UHFFFAOYSA-N 426.498 5.038 0 40 IKAB CCOc1ccc(N2C(=O)c3ccc(C(=O)Nc4ccc(Cl)cc4C)cc3C2=O)cc1 12935749 BLPCWOJKRLRTAV-UHFFFAOYSA-N 434.879 5.100 0 40 IKAB CC1CCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(Cc3ccccc3)c2=S)CC1 13071543 TZSMUQSPAXIPTA-UHFFFAOYSA-N 447.435 6.126 0 40 IKAB COc1ccccc1-c1noc(CSc2nnc(-c3cc4c(s3)CC[C@H](C)C4)o2)n1 13128569 VQGXVGDECSHPGY-LBPRGKRZSA-N 440.550 5.274 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)COC(=O)c2cc(F)c(F)cc2Cl)c2ccccc21 13148950 HXQVWOCINZRBTP-UHFFFAOYSA-N 439.845 5.817 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(-c2cccc(C)c2)nc2c1COC(C)(C)C2 13554357 DUEJYPQHYPHDBE-UHFFFAOYSA-N 449.576 5.043 0 40 IKAB CS(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 13673086 IXDNXABBLIWYEW-UHFFFAOYSA-N 446.981 5.256 0 40 IKAB Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)c1c(ncn3nc(-c4ccccc4)nc13)O2 13816589 ZDKBTSCUKZQZNW-NRFANRHFSA-N 446.470 5.164 0 40 IKAB CCc1ccc(-c2nc(C(=O)N(C)CC(=O)Nc3ccccc3C(F)(F)F)cs2)cc1 14182513 HEPNUAPWNBIBIH-UHFFFAOYSA-N 447.482 5.102 0 40 IKAB CC(C)(C)c1ccc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)cc1 14273303 OJLOKQCCIPWUSV-MRXNPFEDSA-N 442.625 5.313 0 40 IKAB COc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)c1ccc(-c2ccccc2)cc1 14291282 NRCAHGQLXJASEH-UHFFFAOYSA-N 441.516 5.089 0 40 IKAB Cc1cccn2cc(COc3cccc(C(=O)Nc4ccc(C(F)(F)F)cc4)c3)nc12 14898786 FFARUAOILLEKDZ-UHFFFAOYSA-N 425.410 5.493 0 40 IKAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)Nc1cccc(C2SCCCS2)c1 15137884 PLJLBZBSDDEJSQ-UHFFFAOYSA-N 434.970 5.145 0 40 IKAB CCOc1ccc([C@H](CNC(=O)c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1OC 16176388 MIYROIRQNGWDAS-QFIPXVFZSA-N 444.531 5.146 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4ccccc4F)c3)nc2c1 16611253 FICGUGZDWXHWBG-OAHLLOKOSA-N 447.535 6.274 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 17095825 PNVVMRZQVYZVRT-KRWDZBQOSA-N 428.488 5.018 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)C(c4ccccc4)c4ccccc4)ccc3o2)c(C)c1 17097997 MRDKMMDIWFOYNI-UHFFFAOYSA-N 432.523 6.882 0 40 IKAB O=C(Nc1cc(Cl)ccc1O)c1cnn2c1N[C@H](c1cccs1)C[C@H]2C(F)(F)F 18210546 RQFQCESTUKGTTQ-WFASDCNBSA-N 442.850 5.216 0 40 IKAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)c3c(Cl)cccc3Cl)C2)n1 19286815 MURXJNATADQVFE-MRXNPFEDSA-N 427.335 5.174 0 40 IKAB Cc1nn(C(C)C)c2nc(C3CC3)cc(C(=O)Nc3cccc(Cn4cc(Cl)cn4)c3)c12 19648339 DZZUOKVPULDYFS-UHFFFAOYSA-N 448.958 5.349 0 40 IKAB CCc1ccc2c(c1)c(-c1ccc(Cl)cc1)c(C(=O)NCc1ccc(OC)cc1)n2C 19894344 RBABHMUAMHGKNJ-UHFFFAOYSA-N 432.951 6.000 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)c(Cl)c2)cc1 20456778 PTABNJLPCQYNIT-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB Cc1cccc([C@@H]2CC(=O)c3cn4nc(SCc5ccccc5Cl)nc4nc3C2)c1 20795955 XNRFGMKKKDJZDS-KRWDZBQOSA-N 434.952 5.291 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1cccc(C(F)(F)F)c1 22072591 UCXIFIOFGLJNIN-UHFFFAOYSA-N 436.231 5.859 0 40 IKAB Cc1cccc(C)c1NC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccccc1 22274935 VRTUSABGJXFVFH-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccc(OCc2ccccc2)c1 22467331 YDZCMPNBXORCJZ-UHFFFAOYSA-N 428.532 5.534 0 40 IKAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(Oc3ccc(Br)cc3)cc2)cc1 23299334 QZSWARMYWKDKHG-UHFFFAOYSA-N 439.309 5.381 0 40 IKAB CN(Cc1nc(-c2cccs2)no1)Cc1cn(-c2ccccc2)nc1-c1ccccc1 28728364 PLURNAPZCPVSTJ-UHFFFAOYSA-N 427.533 5.283 0 40 IKAB O=C(NC[C@H](c1ccccc1Cl)N1CCCCCC1)c1cc(-c2cccs2)on1 32623493 XCFLJFRLGICAPR-LJQANCHMSA-N 429.973 5.404 0 40 IKAB CCOc1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)c2c(CC)noc2C)cc1 32716998 YLHGEPMZWCVTIH-UHFFFAOYSA-N 434.414 6.008 0 40 IKAB CCCc1c(C(=O)NC2CCCCC2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026856 RNEPRMLFOZXKKZ-UHFFFAOYSA-N 429.524 5.091 0 40 IKAB O=C(Nc1ccc(NC(=O)c2sc3cc(Cl)ccc3c2Cl)cc1)c1ccccc1 33554967 ASROFSIFEJAHCK-UHFFFAOYSA-N 441.339 6.713 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(C)c3C)ccc2Cl)cc1 33788781 XKVSHIWDHFIJQV-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCCCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nc(C)c1C 36394563 RIUQDNODQSVADE-UHFFFAOYSA-N 428.627 5.538 0 40 IKAB O=C(Nc1cccc(Br)c1)c1ccc(OCCSc2ccccc2)cc1 38752989 UEWBETUHIMHQDK-UHFFFAOYSA-N 428.351 5.873 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 40556522 HQRXMHDGSSBCNK-UHFFFAOYSA-N 437.805 5.638 0 40 IKAB Cc1cc2nc(CSc3ccc(NC(=O)Nc4ccc(Cl)cc4)cc3)cc(=O)n2o1 41089707 TZCQSIDLJPYNJC-UHFFFAOYSA-N 440.912 5.186 0 40 IKAB COc1ccc(C(=O)N[C@H](Cc2ccccc2)c2nc(-c3ccc(Cl)cc3)no2)cc1 41097952 QNAWJLRRCCTERC-OAQYLSRUSA-N 433.895 5.112 0 40 IKAB CCc1nc(N2CCN(Cc3ccc(Cl)cc3Cl)CC2)c2oc3ccccc3c2n1 57412119 MWYXYHMRKOQEQS-UHFFFAOYSA-N 441.362 5.567 0 40 IKAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 58174505 MBUXPHSOSBXXTK-UHFFFAOYSA-N 448.429 5.201 0 40 IKAB COc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3ccccc3c2=O)cc1OC 67260483 BJWJQOIBSJSYMF-UHFFFAOYSA-N 438.936 5.349 0 40 IKAB CC1(C)Cc2c(cnn2Cc2ccccc2)[C@H](NC(=O)c2ccccc2C(F)(F)F)C1 72396214 CUJANVFRNQURTQ-HXUWFJFHSA-N 427.470 5.394 0 40 IKAB CC[C@H](C)N1C(=O)c2ccccc2[C@H](C(=O)Nc2nnc(C3CC3)s2)C12CCCCC2 72400793 AZFGEWGBZDEHLC-HNAYVOBHSA-N 438.597 5.095 0 40 IKAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3C)cc2)cc1NC(=O)c1ccccc1 79026620 DYDKWURQJLRDPZ-LJQANCHMSA-N 438.531 5.232 0 40 IKAB CC[C@@H](Cc1ccccc1)N(CC)C(=O)Nc1ccc(NC(=O)c2ccco2)c(Cl)c1 79105017 MAEXOGUDZDPSRM-IBGZPJMESA-N 439.943 6.060 0 40 IKAB COc1ccc(/N=c2/ssc3c2-c2cc(Br)ccc2NC3(C)C)cc1 102436211 MVLLSNWRVAPNOF-DYTRJAOYSA-N 433.396 6.141 0 40 IKAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C)[C@H](O)C(C)C 102676421 ITBZCTBEJMCLOU-WHEZLVAFSA-N 430.610 7.109 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccccc3Cl)c2)C(=O)N1Cc1ccccc1 214037585 MABZXSQDGMRRCM-HYARGMPZSA-N 435.932 6.156 0 40 IKAB Cc1cc(OCC(=O)NCCSc2ccc(Cl)cc2)cc(C)c1Br 218833487 AAQXREQPASTYAH-UHFFFAOYSA-N 428.779 5.007 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)N(C)Cc1nc(-c2ccc(Cl)cc2)no1 219354606 QVKZNUAOMHQPTO-OAQYLSRUSA-N 435.911 5.359 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccncc1 223085592 RDONNVHAQOBAAP-JWQCQUIFSA-N 445.636 5.248 0 40 IKAB CC[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1cccc(C)c1)c1ccc(OC)cc1 223128436 OXRHODQBFHVZIZ-NRPPHEFGSA-N 434.561 5.104 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCCC3)cc2)c1 223339143 PCEBPWVHMFXGBZ-ULJHMMPZSA-N 430.504 5.319 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccco1 223360547 YINKKZSBSNTKEK-YADHBBJMSA-N 433.558 5.592 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223994901 HOYUGGVPMJDPRH-DNQXCXABSA-N 445.592 5.134 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1COc1ccccc1C 224099327 IFLVBWJLXXPAMV-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1)c1ccccc1C 224143003 LKCUONROAQKTNE-DEOSSOPVSA-N 436.577 5.010 0 40 IKAB COc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccccc1C(C)(C)C 224168655 VPCKGPKZKIRVHQ-UHFFFAOYSA-N 439.555 6.977 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccccc3C(C)(C)C)c2)cc1 224171242 GWKNLDUQQUVNJB-UHFFFAOYSA-N 433.548 6.223 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2ccccn2)cc1 224346869 KDQKEXDEOOKGQK-LOSJGSFVSA-N 439.588 5.066 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1ccc(OC)cc1 224598590 XEQMYFAQPLKZRJ-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1F 225312575 UQWAPSCOSCOGRQ-CABCVRRESA-N 439.358 5.007 0 40 IKAB CCOC(=O)c1cc(NC(=S)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)ccc1Cl 225675485 RICVOUJQZORTEY-SFHVURJKSA-N 432.973 5.414 0 40 IKAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225833608 IORBJGJWBJMPFG-FQEVSTJZSA-N 425.532 5.474 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 225911782 OQPZPTOEOASAEK-LBPRGKRZSA-N 432.178 6.151 0 40 IKAB Nc1nnc(-c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)c(Br)c2)o1 226341954 CHPADNWFONNSCX-UHFFFAOYSA-N 449.519 5.621 0 40 IKAB COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)c4[nH]c5ccc(F)cc5c4C)C3)o2)cc1 257267680 MIHZVCQNADIKOX-GOSISDBHSA-N 447.510 5.223 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(C(=O)[C@H]2CC=CCC2)CC1 257269106 MOOXLTAEFAUOLV-QHCPKHFHSA-N 444.619 5.258 0 40 IKAB CCCCn1nc(-c2cc(CC(=O)O)ccc2OCC(C)C)cc1-c1ccccc1OC 257276047 NSDNRNTVAIVGSR-UHFFFAOYSA-N 436.552 5.688 0 40 IKAB COc1ccccc1-c1cccc(CN2C[C@@H](c3ccc(F)cc3)[C@@]3(CCCC(=O)N3)C2)c1 257324937 WQUXGUYNEMUDFZ-LBNVMWSVSA-N 444.550 5.140 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CC(=O)c4ccccc4)C3=O)cc2)cc1 408531130 MEDKQYFBHAOLNZ-HAHDFKILSA-N 445.565 6.065 0 40 IKAB COc1cc(C(=S)NC[C@H]2CCCO2)ccc1OCc1ccc(Cl)cc1Cl 408572317 GCBRUGGQUCXZQP-MRXNPFEDSA-N 426.365 5.025 0 40 IKAB COc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C)c(C)c3)cc2)CC1=O 408642699 PNGSRLPYOMWUOW-IBGZPJMESA-N 430.504 5.096 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)NC2CCCCC2)nc1-c1ccc(Cl)cc1 408692672 RYLLQAJXLAMKNE-UHFFFAOYSA-N 429.351 5.612 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc4ccccc4c3)nn2-c2ccc(C)c(C)c2)c1 408696418 BGFQUQMZLDSVEL-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB CCCc1sc(NC(=O)c2ccc(OC)c(Br)c2)nc1-c1ccccc1 408835273 WZMJTTRKINOCCE-UHFFFAOYSA-N 431.355 5.786 0 40 IKAB Clc1ccccc1NCc1ccc(OCc2ccc(Br)cc2)c(Cl)c1 409176897 AFOHALUJQULNDN-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CN(C)C(=O)C[C@H]1CN(C(=O)c2ccccc2NCc2ccccc2)c2ccc(Cl)cc21 677896290 SCHUBFRNLUYJQN-IBGZPJMESA-N 447.966 5.174 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccc(Cc2ccc(Cl)cc2)n1 1848355153 UEUVHVDZDGUCRX-VWLOTQADSA-N 429.951 5.713 0 40 IKAB O=C(Nc1ccccc1)N1CCC(=C2c3ccc(Cl)cc3CCc3cccnc32)CC1 592742 VSJSCBLEWVQRQB-UHFFFAOYSA-N 429.951 5.963 0 40 IKAB CCOc1ccc([C@H]2CC(=O)N2C2(C(=O)Nc3ccc(C)cc3)CCCCC2)cc1OC 720428 QHVFAXIBHQTGID-OAQYLSRUSA-N 436.552 5.017 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2cc1NS(=O)(=O)c1ccccc1 843776 DIWUSXXWRVACHB-UHFFFAOYSA-N 436.920 5.546 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(Cc2ccccc2)n1-c1ccccc1 870419 XKBPWZFIUYLUQP-UHFFFAOYSA-N 428.561 5.206 0 40 IKAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1NC(=O)c1ccc(OC)cc1 1223665 WOABJQOBVRWCRP-UHFFFAOYSA-N 440.521 5.059 0 40 IKAB CCc1cc([C@@H](c2ccc(C(C)C)cc2)N2CCOCC2)c(NC(=O)c2ccccc2)s1 1298749 NBFMOKSIUCKOKI-RUZDIDTESA-N 448.632 6.108 0 40 IKAB Cc1nc2c(cc1NC(=O)c1ccc(Cl)cc1)nc(C)n2Cc1cccc(Cl)c1 1338751 HNFXNMBGTGNWEI-UHFFFAOYSA-N 425.319 5.656 0 40 IKAB COc1ccc(CCN(Cc2cc3cc(C)c(C)cc3nc2Cl)C(=O)C2CCC2)cc1 1339478 AUEACYCMUMSZFQ-UHFFFAOYSA-N 436.983 5.885 0 40 IKAB COc1ccc(NC(=O)CSc2nc(C(C)C)nc3sc(C)c(C)c23)c(OC)c1 1340358 FHBKKCFEFAWMSZ-UHFFFAOYSA-N 431.583 5.180 0 40 IKAB O=C(NCc1ccc(F)cc1)c1ccc(-n2nc3c(c2-c2ccccc2F)CCCC3)cc1 1386303 KQXMUKGRSKAJDR-UHFFFAOYSA-N 443.497 5.626 0 40 IKAB Cc1ccc(N2C(=O)C(Sc3ccc(Cl)cc3)=C(N(C)c3ccccc3)C2=O)c(C)c1 1809089 RDQZJNCOUGSICQ-UHFFFAOYSA-N 448.975 5.970 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@@H](c1ccc(C)o1)N(C(C)=O)c1ccccc1-2 2104349 RWGWWOVBVPYLAC-QFIPXVFZSA-N 438.553 5.557 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(-c4ccc(O)c(Br)c4)nc3c2)cc1 2223033 WUAPYFJYQIIOJW-UHFFFAOYSA-N 439.265 5.224 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)c4cccc(OCCC(C)C)c4)cc3)sc2c1 2248702 REJQADSKUYRAJR-UHFFFAOYSA-N 430.573 6.949 0 40 IKAB CC(C)CCOc1ccc(-c2nc3c4c(ncn3n2)-c2ccccc2CC42CCCC2)cc1 2256506 RRWQAXSOVHHSDZ-UHFFFAOYSA-N 438.575 6.251 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccccc2F)N1c1nc2ccc(F)cc2s1 2334223 WVOVVOWYZKLBPF-FQEVSTJZSA-N 446.434 5.431 0 40 IKAB O=C1C[C@]2(CC3c4ccccc4C2c2ccccc23)C(=O)N1c1cc(Cl)cc(Cl)c1 2406567 DJTTTWUYTYLKEN-GCKKQHTFSA-N 434.322 5.924 0 40 IKAB Cc1ccc(-c2cc(C(=O)NCc3ccc(Cl)c(Cl)c3)c3ccccc3n2)cc1C 2752260 MBNCTHZCNZELBF-UHFFFAOYSA-N 435.354 6.755 0 40 IKAB CCOC(=O)Cc1csc(NC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)n1 3226332 XNWDGSOZIMQCKD-UHFFFAOYSA-N 431.517 5.025 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1C 3407476 RFGQLGJDIDBCNE-SNVBAGLBSA-N 444.866 5.175 0 40 IKAB COc1ccc(CNCC[C@H](c2ccccc2OC)[C@@H]2CCOC(C)(C)C2)cc1OC 4027904 IGJZWRNLGLPQPE-RTWAWAEBSA-N 427.585 5.181 0 40 IKAB biogenic CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)C1 4124989 WLNPPJZIDCKHHE-NFYPIIHDSA-N 436.478 5.177 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(CCc2ccccc2)c2ccccc21 6438854 LTPZVZDYSSCAPK-MUUNZHRXSA-N 427.544 5.168 0 40 IKAB Cn1ccnc1C(=O)c1ccc(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)cc1 8720020 GBLXGAYZLZGDNG-HSZRJFAPSA-N 427.529 5.123 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1CCc1ccc(F)cc1 8754019 GOVPAYGQYUAZKG-UHFFFAOYSA-N 449.551 5.436 0 40 IKAB COc1ccc(OC)c(NC(=O)CCc2c(C)c3cc4c(C)coc4c(C)c3oc2=O)c1 8791721 WVIRHVWYQUMALT-UHFFFAOYSA-N 435.476 5.053 0 40 IKAB biogenic O=C(CSc1nc(-c2cccs2)nc2ccccc12)Nc1ccnn1C1CCCC1 8942603 QOKAJPLZUHNQOE-UHFFFAOYSA-N 435.578 5.401 0 40 IKAB O=C1NC(c2ccccc2)=C(c2nc3ccccc3s2)[C@H](c2ccc3ncccc3c2)N1 9087025 WLALADCLIHXRQS-DEOSSOPVSA-N 434.524 5.767 0 40 IKAB CC(=O)n1c(S[C@@H](C)C(=O)Nc2nc(-c3ccccc3)c(C)s2)nc2ccccc21 9191692 SXSSFMKFAPCKKO-AWEZNQCLSA-N 436.562 5.248 0 40 IKAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)c2c(c1)OCCCO2 9202327 KZDMKWLWGQGMPE-UHFFFAOYSA-N 425.897 5.130 0 40 IKAB C[C@@H](Nc1ccc(-c2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 9209231 DBTDEAVKPOAGNQ-OAHLLOKOSA-N 431.517 5.174 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cc(C)ccc2C)cc1 9428030 PNHHVMDLCXPSBI-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc4ccccc4o/c3=N\c3ccccc3)n2)cc1 9730619 SIAILHDTESLWLJ-RFBIWTDZSA-N 437.524 6.349 0 40 IKAB Cc1nc(COc2ccc(C(=O)N3CCC[C@@H](c4nc5ccccc5s4)C3)cc2)cs1 9783644 HPCOWWAEYASTNC-GOSISDBHSA-N 449.601 5.660 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(COc2ccc(Cl)cc2)o1)c1cc2ccccc2o1 9796837 YSZANFBVJQPGPD-CYBMUJFWSA-N 443.912 5.018 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(-c3cccnc3)n2C2CC2)c2ccc(C)cc2)cc1 9984773 RRPFBWPJEMWEHP-XMMPIXPASA-N 440.572 6.008 0 40 IKAB O=C(Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2)c1cc(-c2ccccc2)on1 11915832 UVTMXCDTYCEYSO-UHFFFAOYSA-N 447.516 5.057 0 40 IKAB COc1ccc(C(=O)N2CCC[C@@H](C(=O)Nc3ccc(SC)cc3)C2)c2ccccc12 12039849 XIOSLFFWDWFRFP-QGZVFWFLSA-N 434.561 5.061 0 40 IKAB CCOP(=O)(OCC)c1nc(/C=C/c2ccccc2)oc1NCc1ccc(F)cc1 12062872 AWLLYOPYFBRWDL-NTCAYCPXSA-N 430.416 5.488 0 40 IKAB CN(C(=O)C[C@H](Cc1ccccc1Cl)c1ccc(Cl)cc1)[C@H]1CCOC(C)(C)C1 12408610 TULKOYIVOUPXHN-FPOVZHCZSA-N 434.407 6.126 0 40 IKAB CC1CCC(OC(=O)CCC(=O)Nc2nc3ccc(OC(F)(F)F)cc3s2)CC1 12417658 BJXGJFDWFMNKOH-UHFFFAOYSA-N 430.448 5.036 0 40 IKAB O=C(NCCOc1ccc(Cl)cc1)c1sc2cc(-c3ccccc3)ccc2c1Cl 12628176 SLCDDQBMIRRXFP-UHFFFAOYSA-N 442.367 6.684 0 40 IKAB CCCCCC(=O)O[C@]1(C(C)=O)CC[C@@H]2[C@@H]3C=C(C)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 12657471 XDVHIXRJLWUKRR-AHOYVFNOSA-N 440.624 6.136 0 40 IKAB biogenic C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccccc1-c1ccccc1 12679082 CLPZUAQAFNMKCQ-INIZCTEOSA-N 446.601 6.128 0 40 IKAB O=C(Nc1ccc(-c2nnc3n2CCCCCC3)cc1)c1cccc(Br)c1 12798404 XYIZVZQPAAOAQY-UHFFFAOYSA-N 425.330 5.076 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)cc1 13526793 TYTNCAXQRPJHPT-OAQYLSRUSA-N 431.586 5.961 0 40 IKAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@H](Sc5cccc(N)c5)C4=O)cc3)sc2c1 13576069 BMQRINYPUMNQKW-NRFANRHFSA-N 445.569 5.278 0 40 IKAB COc1ccc(/C=C/c2nn3c(-c4ccc(Cl)cc4Cl)nnc3s2)cc1OC 13607708 OHLWZVIUORFEPB-XBXARRHUSA-N 433.320 5.347 0 40 IKAB CCN(CC)[C@@H](c1cc(Cl)cc(Cl)c1OC)c1nnnn1-c1c(C)cccc1C 13895409 PMVCWFOFGFMVDG-IBGZPJMESA-N 434.371 5.026 0 40 IKAB CCC1=Nc2ccccc2N=C(NC(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(OC)cc1 14608091 DFKKGDVDGYKKNS-XMMPIXPASA-N 441.487 5.164 0 40 IKAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)Nc1c(C(C)C)cccc1C(C)C 14850362 YUWLAXSBOLEPNK-UHFFFAOYSA-N 426.557 6.669 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OCC(C)C)cc4)c3)nc2c1 16610838 URCLWTOABLJOMI-IBGZPJMESA-N 442.559 7.295 0 40 IKAB COCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1 16742101 YAWQNBCIINKXBO-XMMPIXPASA-N 441.483 5.167 0 40 IKAB Cc1ccc(NC(=O)OC/C=C\c2ccccc2)cc1NC(=O)OC/C=C/c1ccccc1 17024691 GXZKRNGRSMDMBL-DJJIWSAGSA-N 442.515 6.519 0 40 IKAB COc1c(C(=O)Nc2cc(Cl)ccc2Cl)cc2ccccc2c1Br 17094254 PKFYIJJNKQUVRL-UHFFFAOYSA-N 425.109 6.170 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)cc2-c2cccc(OC)c2)cc1 17095832 BEHNZBZHKAZWEM-UHFFFAOYSA-N 428.488 5.069 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)c2cccc(Cl)c2Cl)cc1 17096309 LHSSVONRXGESKQ-UHFFFAOYSA-N 429.303 5.412 0 40 IKAB CCOc1ccccc1NC(=S)NC(=O)c1cccc2c(Br)cccc12 17096357 KFNRRXAQWFTQEB-UHFFFAOYSA-N 429.339 5.128 0 40 IKAB CCOc1ccccc1C1N(Cc2ccc(OC)cc2)CCCN1Cc1ccc(OC)cc1 19325537 FQGXNBMMRPZYHB-UHFFFAOYSA-N 446.591 5.509 0 40 IKAB O=C(CCCc1ccccn1)N1CCC[C@H](c2nc(Nc3ccccc3)n3ccsc23)C1 19373366 RWEQKXORJDCYMY-IBGZPJMESA-N 445.592 5.263 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CCO[C@H](c2ccc(Cc3ccccc3Cl)cn2)C1 19692259 YUNMICOYAXNELP-VWLOTQADSA-N 439.003 5.294 0 40 IKAB CCN(C(=O)c1cnc(C)cn1)[C@H]1CCO[C@@H](c2ccccc2-c2cc(F)cc(F)c2)C1 19711910 QXMRZNBUJPREOS-GBXCKJPGSA-N 437.490 5.113 0 40 IKAB O=C(Nc1nccs1)c1cc([C@@H]2CN(C3CCCCCC3)CCO2)nc2ccccc12 19754920 WWLLNTMULYQURW-QFIPXVFZSA-N 436.581 5.040 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3c(C)cccc3C)cc2)cc1 20062786 NSJIWFRSFCLEOZ-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)sc(C)c1-c1cccc(Cl)c1 20167998 TXDVYVDOYADXAH-HZPDHXFCSA-N 449.956 5.383 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610436 DCWGBTWGROFQJB-GFCCVEGCSA-N 445.281 5.272 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3cccc(C)c3[nH]c2=O)c2cccc(C)c2C)cc1 21595165 PWKQDMJPAXYLSL-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(COc1cccc(Oc2ccccn2)c1)OCc1cc(-c2ccc(Cl)cc2)no1 24992374 ZFCOYEFLXAXDNT-UHFFFAOYSA-N 436.851 5.305 0 40 IKAB COc1ccc(-c2noc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)n2)cc1 32623922 YGWCCJOTNXHUJT-UHFFFAOYSA-N 440.253 5.020 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1cccc2ccccc12 32697598 PNVATEWJPJICMQ-UHFFFAOYSA-N 435.552 6.628 0 40 IKAB Cc1ccc2nc(COc3ccccc3NC(=O)c3ccc(C(C)(C)C)cc3)cc(=O)n2c1 33068132 BOTRWPFXWRKRRS-UHFFFAOYSA-N 441.531 5.132 0 40 IKAB O=C(CCCSc1ccc(Cl)cc1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 36717969 ZCOMRNVASVSAOW-UHFFFAOYSA-N 444.383 6.735 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 39767955 UYOOJZYPCAQAFV-KRWDZBQOSA-N 430.995 5.866 0 40 IKAB CC[C@H](C)c1ccc(OCCCOc2ccc(/C=C3/SC(=N)NC3=O)cc2OC)cc1 41077981 ORGCQZAEKLKSJN-PZBNQXIHSA-N 440.565 5.195 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C(C)(C)C)cc1 44906087 OELIFZZXEIJUFJ-QGZVFWFLSA-N 447.450 6.380 0 40 IKAB COc1cc2c(c(OC)c1)CCN(Cc1cc3sccc3n1Cc1ccc(F)cc1)C2 57718520 IDKODYANTONOJY-UHFFFAOYSA-N 436.552 5.466 0 40 IKAB Cc1ccc(NC(=O)CS[C@H](C)c2nc3scc(-c4ccccc4)c3c(=O)[nH]2)cc1 89635000 PGVFCEJVJLPVPI-OAHLLOKOSA-N 435.574 5.393 0 40 IKAB CC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@H]1/C=C/c1ccccc1 95115963 NECJNVCTPVHMCG-WOOPDLCSSA-N 447.538 5.542 0 40 IKAB COc1cccc(-n2cnc3c2[C@@H](c2ccc(OC(C)C)c(OC)c2)SCC(O)=N3)c1 95474464 SADGVVTVZCBHMF-JOCHJYFZSA-N 439.537 5.101 0 40 IKAB CC(Cl)(Cl)C(=O)N1N=C2/C(=C\c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 95481739 QCAPEQMYXLSBQU-MSQGJAFKSA-N 449.328 6.282 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@@H](c4ccc(Cl)cc4)C3=C(O)C2)cc1 100426165 JLKBRYAXGXRAFH-QYBDOPJKSA-N 430.935 6.978 0 40 IKAB CSc1cccc(NC(=O)CN2C(=O)CC(c3cccs3)=Nc3cc(C)c(C)cc32)c1 101947949 LWKIXUIPOCFQLX-UHFFFAOYSA-N 449.601 5.583 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102315897 AEOILEPKDWLZRG-DSZJKHHPSA-N 435.568 5.469 0 40 IKAB Clc1ccccc1/N=c1/scc(-c2ccc3c(c2)OCCO3)n1C1CCCCC1 102962677 QEDCWRPRPVFRFT-WJTDDFOZSA-N 426.969 6.379 0 40 IKAB CC/N=C1\S/C(=C/c2ccc(OCc3ccccc3Cl)c(OC)c2)C(=O)N1CC 109596556 QUYPXQOCEYCYMA-POHNCSCLSA-N 430.957 5.240 0 40 IKAB COC(=O)CCCCCOc1ccc(CNC(=O)CCCC/C=C/C(C)C)cc1OC 148698113 DLUHNEORPMANHS-XYOKQWHBSA-N 433.589 5.196 0 40 IKAB Cc1ccccc1[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)c1ccccc1 216445955 FISUHJJZUPGYQH-SANMLTNESA-N 429.541 5.855 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N[C@H]1CC(C)(C)Oc2cc(OC)ccc21 222939133 FHEPSVQYNCAWIN-VXKWHMMOSA-N 425.569 5.569 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@H](CC)C(=O)NC(C)(C)C)cc1 223352319 MLJWDYNBYWZDFV-HSZRJFAPSA-N 443.031 5.557 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 223646219 ANRBKXYWIHBEJH-QHCPKHFHSA-N 444.616 5.091 0 40 IKAB CC(C)c1ccccc1OCCNC(=O)C1CCN(Cc2c(F)cccc2Cl)CC1 223793953 OEIDRFDQAZZRHR-UHFFFAOYSA-N 432.967 5.010 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2)cc1 223825824 CATOOWRQMFEEOY-DQEYMECFSA-N 440.572 5.448 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1cccc(Cl)c1 224146929 ZNZPEAWVQMYLFM-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)(C)C)c1 224193525 JELUVCCNLYLSRY-SANMLTNESA-N 442.603 5.092 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)c1 224243429 MFKKVCDYQGZXER-BJKOFHAPSA-N 428.536 5.497 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224422478 FYXYTCAZSBNKLC-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB O=C(Nc1ccccc1Sc1ccccc1)c1ccccc1-c1ncc(-c2ccccc2)o1 224895501 KXSMLILWGVYXBR-UHFFFAOYSA-N 448.547 7.412 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccccc3C(=O)OC)o2)cc1 224920287 LPFGUNFRTZWHQS-UHFFFAOYSA-N 442.471 5.446 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1C)C(=O)COc1cccc2ccccc12 225514963 CBUDSOKATXMALZ-BWKNWUBXSA-N 446.591 5.249 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC(C)C)cc1 225647544 GXMOGHZOQBXNJG-QGZVFWFLSA-N 449.422 5.430 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(N3CCCC3=O)c(C)c2)c2ccccc2)c1 225701094 WVFROXGQPDUWDV-RUZDIDTESA-N 429.589 5.506 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccc(Br)c(Cl)c1 225703930 BZLWFKYVCNJUOF-QGZVFWFLSA-N 425.779 5.475 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 225724159 PEUDUBHRCSQKBQ-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB C[C@@H]1CCCCN1c1cc(C(F)(F)F)nc(NC(=S)NCc2ccccc2Cl)n1 225938541 QBOONEBBMKCJSP-GFCCVEGCSA-N 443.926 5.014 0 40 IKAB Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)coc2c1 257305913 SSBGUTFBYADQGA-QAQDUYKDSA-N 435.549 5.485 0 40 IKAB COc1cc(C(=O)Nc2cccc(C(F)(F)F)c2)cc(Cl)c1OCc1ccc(C)cc1 408550997 ACFKLUPTTBADDG-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB COc1cccc(C(=S)NCc2cccc(C)c2)c1OCc1c(Cl)cccc1Cl 408575442 OHHJAOAFDDMKSR-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB Cc1nnc(S/C(=C\c2cn(Cc3ccc(Cl)cc3)c3ccccc23)C(=O)O)o1 408633152 WLLJPEVAXVFYDF-GRSHGNNSSA-N 425.897 5.252 0 40 IKAB Cc1cc(Br)c(Cl)cc1NC(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 408640159 HMZBDGRMMKIFPU-NSHDSACASA-N 442.140 5.056 0 40 IKAB O=C(Nc1ccccc1C(F)(F)F)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679964 XFZJZPLIWUZEKM-UHFFFAOYSA-N 426.369 5.586 0 40 IKAB Cc1ccc(NC(=O)c2cc(-c3ccc(-c4ccccc4)cc3)n(-c3ccc(C)cc3)n2)cc1 408726687 SRICGJUINYDQCW-UHFFFAOYSA-N 443.550 7.075 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccccc2OCc2ccccc2F)C1=O 409062192 PLGZSFGJJZABKV-HMAPJEAMSA-N 435.476 5.654 0 40 IKAB O=C1N/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)C(=O)N1c1cccc(Cl)c1 409071067 NBWPLWOISJBGFU-GZTJUZNOSA-N 447.368 6.303 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2cc(C)ccc2C)nc1-c1cc(C)ccc1C 409195832 LMHFGRHHBSKJNJ-UHFFFAOYSA-N 434.605 6.598 0 40 IKAB CCOc1cc(C(=S)N2CCc3ccccc3C2)ccc1OCc1ccc(Cl)cc1 409198522 BRIHUQFFNBBRRD-UHFFFAOYSA-N 437.992 6.052 0 40 IKAB CC1=CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 575473033 ZJKHYUQWUOYLJG-UHFFFAOYSA-N 435.523 6.323 0 40 IKAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3ccccc3Br)cc2)CC1 819721 IRYPCGFFVNQUFN-UHFFFAOYSA-N 433.371 5.097 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccccc3OC)C3CCCCC3)cc2c1 1327111 QXZPYPCWODTTAW-UHFFFAOYSA-N 433.552 5.466 0 40 IKAB Cc1cccc(N(C(=O)Cc2ccsc2)[C@H](C(=O)NC2CCCCC2)c2ccccc2)c1 1364944 HKGOMVARGWYOEP-SANMLTNESA-N 446.616 5.822 0 40 IKAB COc1ccc2cc(CN(Cc3ccc(C)cc3)C(=O)c3cccc(Cl)c3)c(=O)[nH]c2c1 1366690 HVVPZPYJOWIMRW-UHFFFAOYSA-N 446.934 5.341 0 40 IKAB Cc1cccc(C(=O)N(CCN2C(=O)c3ccccc3C2=O)c2ccc(C(C)(C)C)cc2)c1 1511622 UJXAIRNBLSJVLK-UHFFFAOYSA-N 440.543 5.236 0 40 IKAB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)cc1OC 1746693 ZQLIRKHOPMIJPK-VXKWHMMOSA-N 426.310 5.697 0 40 IKAB CC1(C)C[C@](C)(c2ccccc2)c2ccccc2N1C(=O)c1ccc(-c2ccccc2)cc1 1794291 GMPQGPNWCYTPPI-WJOKGBTCSA-N 431.579 7.489 0 40 IKAB COc1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2c(C)cccc12 2078797 FHMXNWRHXBRGQC-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB Cc1ccc(-c2nc3nc4ccccc4nc3n2-c2ccc(Oc3ccccc3)cc2)cc1 2246957 SSSKYEFGZHGPKD-UHFFFAOYSA-N 428.495 6.736 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1ncnc2scc(-c3ccc(C)cc3)c12 2335867 KAYNMDIJMOYBGM-UHFFFAOYSA-N 433.602 6.268 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@@H]3c3cccc(O)c3)sc2c1 2338960 QYFKXGWHVMPLEQ-NRFANRHFSA-N 440.480 5.167 0 40 IKAB CCCCc1nc2sc3c(N4CCC(C)CC4)nc(SC)nc3c2c2c1CCC2 2400946 AOVZVNJPGSOIMU-UHFFFAOYSA-N 426.655 6.029 0 40 IKAB CC(C)c1ccccc1NC(=O)c1cc(-c2ccc(Br)cc2)nc2ccccc12 2752574 XEJIEYISVJEMNJ-UHFFFAOYSA-N 445.360 7.040 0 40 IKAB CCc1c(C)sc2ncn3nc(-c4ccc(Cn5nc(C)c(Cl)c5C)cc4)nc3c12 2808834 ATVCWWWWYLYUKB-UHFFFAOYSA-N 436.972 5.392 0 40 IKAB Cc1ccc(NC(=O)/C(=C/c2ccc(F)cc2)c2ccc(-c3ccccc3)cc2)cc1Cl 3207850 SSJQPBLROHHLRZ-YZSQISJMSA-N 441.933 7.634 0 40 IKAB COc1ccccc1NS(=O)(=O)c1ccc2oc(SCc3ccc(F)cc3)nc2c1 3221318 WZFKDAUEHIMQEL-UHFFFAOYSA-N 444.509 5.069 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2Cl)o1)c1ccc(Cl)cc1 3226296 MKOLGWPOQJLOHF-UHFFFAOYSA-N 429.712 5.584 0 40 IKAB O=C(c1ccc(F)cc1)N1CCCCC[C@@H]1Sc1ncnc2sc3c(c12)CCC3 3264272 KWSISXHFJDJTJQ-SFHVURJKSA-N 427.570 5.454 0 40 IKAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)OCc4ccccc4Cl)cc3)ccc12 3281966 KXLUEJOSGOTGPZ-UHFFFAOYSA-N 434.875 5.691 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 3385381 SVKPYBSRQJZSFJ-UHFFFAOYSA-N 442.544 5.668 0 40 IKAB CCCOc1ccc(-c2ccc(-c3noc(-c4cccc(Br)c4)n3)cc2)cc1 3584824 VPKCPULHHJRSNL-UHFFFAOYSA-N 435.321 6.622 0 40 IKAB Cc1ccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(F)c2)cc1 3658683 ILIQYHWESRYIQI-UHFFFAOYSA-N 425.532 6.827 0 40 IKAB O=C(Nc1ccc(NC(=S)NC(=O)c2cccc3ccccc23)cc1)c1ccccc1 4090598 MMHUOMNHRSNURP-UHFFFAOYSA-N 425.513 5.219 0 40 IKAB CC1=C(C(=O)O[C@H]2CCC[C@H](C)C2)[C@@H](c2ccccc2OCc2ccccc2)NC(=O)N1 4141552 SLBKHXVFFDZUIS-GERBCZOESA-N 434.536 5.015 0 40 IKAB CCN1C(=O)S/C(=C/c2c(OCc3ccc(C(=O)O)cc3)ccc3ccccc23)C1=O 8396481 KOZCVQYOZANPKQ-FYJGNVAPSA-N 433.485 5.173 0 40 IKAB CC(C)c1ccc2oc(-c3ccc(NC(=O)C(c4ccccc4)c4ccccc4)cc3)nc2c1 8722434 JTZXKWVNJLGZBB-UHFFFAOYSA-N 446.550 7.389 0 40 IKAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2Cc2ccc(Cl)cc2)CC1=O 8740884 COKVFQXVIVPJSY-SFHVURJKSA-N 431.923 5.267 0 40 IKAB O=C(NCCCc1nc2ccccc2n1Cc1ccc(Cl)c(Cl)c1)c1ccco1 8752632 WXQJNNDPNNKWCB-UHFFFAOYSA-N 428.319 5.347 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CN1c1ccccc1Br 8753154 NUYOWXYODLMKGA-SFHVURJKSA-N 446.348 5.368 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 8844270 HCHZRBONHCQDRQ-AWEZNQCLSA-N 430.357 5.741 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cc(-c2ccc(Cl)cc2)nc2ccccc12 9056707 TVDOQSBBFQKVBK-UHFFFAOYSA-N 427.718 7.114 0 40 IKAB CCc1ccc(NC(=O)c2c(C)cc(C)nc2SCC(=O)Nc2ccc(C)c(C)c2)cc1 9250236 UZLBYDHAGUHUKV-UHFFFAOYSA-N 447.604 5.861 0 40 IKAB COc1ccc2cc([C@H](C)C(=O)Nc3ccc(-c4nnc5n4CCCCC5)cc3)ccc2c1 9336856 PTKVKFNPFXXEMK-SFHVURJKSA-N 440.547 5.576 0 40 IKAB O=C(COC(=O)c1ccc(-c2nc3ccccc3s2)s1)Nc1ccccc1Cl 9402832 NREFRSCUPVAKBL-UHFFFAOYSA-N 428.922 5.474 0 40 IKAB O=C(COc1ccccc1C(=O)Nc1ccccc1)NC(c1ccccc1)c1ccccc1 9495559 PGOGCRZHNXVTKZ-UHFFFAOYSA-N 436.511 5.224 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2ncnc3c2cnn3-c2cccc(Cl)c2)c(C)c1 9517698 UVVZRYHVVDZPDN-UHFFFAOYSA-N 437.956 5.125 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1ccc2c(c1)OCO2 9640006 MCVIUYIFJMDBRL-UHFFFAOYSA-N 441.940 5.417 0 40 IKAB CS(=O)(=O)Nc1ccc(-c2csc(NC(=O)c3ccc(-c4ccccc4)cc3)n2)cc1 9738011 JTZMRFNNVBPJGJ-UHFFFAOYSA-N 449.557 5.101 0 40 IKAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)Nc1cccc(C(C)=O)c1 9814227 KLKDZQNBJIVTMQ-UHFFFAOYSA-N 425.488 5.062 0 40 IKAB Cc1ccc(NC(=O)[C@@H](OC(=O)c2nc(-c3ccccc3)oc2C)c2ccccc2)cc1 9960982 PSXVGNLXRKAJPN-QHCPKHFHSA-N 426.472 5.495 0 40 IKAB Clc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN23)cc1 12192677 XIOMSBOFYKNISP-IRLDBZIGSA-N 439.740 6.345 0 40 IKAB CN(C)C(=O)[C@H](Sc1nc(-c2cccs2)c(-c2cccs2)[nH]1)c1ccccc1 12556887 SUMOSFWROKDOCT-LJQANCHMSA-N 425.604 5.788 0 40 IKAB O=C(COC(=O)c1sc2cc(Cl)ccc2c1Cl)NC12CC3CC(CC(C3)C1)C2 12563834 FYAPJYAKSAHNHL-UHFFFAOYSA-N 438.376 5.450 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3ccc(Cl)s3)nc3ccccc3c2=O)c(C)c1 12638275 QACILGWHOSAYCG-UHFFFAOYSA-N 440.977 5.692 0 40 IKAB COc1ccc(Oc2cc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)ccc2OC)cc1 12675074 JJHVEYHTQGAFMG-SFHVURJKSA-N 446.503 5.026 0 40 IKAB CC(C)[C@@H](NC(=O)N(C)Cc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCCCO2 12773080 OMABBPLEFUWDIX-OAQYLSRUSA-N 436.474 5.405 0 40 IKAB CSc1nc2n(n1)[C@@H](c1ccccc1F)C1=C(N2)c2ccccc2O[C@@H]1c1ccccc1 13712750 KQEXPQCLPQQHQR-XZOQPEGZSA-N 442.519 5.699 0 40 IKAB COC(=O)c1c(NC(=O)N2c3ccccc3Sc3ccccc32)sc2c1CCCC2 13717200 MFFWDRHICHEDBO-UHFFFAOYSA-N 436.558 6.248 0 40 IKAB CCOC(=O)CCn1nc(-c2ccc(F)cc2)c(Br)c1-c1ccc(F)cc1 13960687 DJNPWOIZGVXIBB-UHFFFAOYSA-N 435.268 5.211 0 40 IKAB CSc1ncc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n1-c1ccc(F)cc1 15318783 BQOSWNMIAHIPOU-UHFFFAOYSA-N 428.489 5.248 0 40 IKAB CCCCCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16638537 FUDNZUBPWGPLLP-UHFFFAOYSA-N 431.201 6.615 0 40 IKAB COc1ccc(C)cc1CN(C(=O)Nc1ccc(Cl)cc1)c1nnc2n1CCCCC2 16769827 JHKDVCMNYWUSNJ-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB CCOc1ccccc1NC(=O)CSc1ncc(-c2cccc(Br)c2)o1 16841125 PFFRLCLHKKJUPJ-UHFFFAOYSA-N 433.327 5.234 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cc4ccccc4o3)c2)c1 17096519 DZHIZLWTHDVNKN-UHFFFAOYSA-N 429.501 5.120 0 40 IKAB Cc1c(NC(=S)NC(=O)c2ccc3ccccc3c2)cccc1-c1nc2ncccc2o1 17102269 MZMXFVSPGJSUJH-UHFFFAOYSA-N 438.512 5.478 0 40 IKAB O=C([C@@H]1CC12CCC2)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19690399 JPAKYXOJAPYBQP-NRFANRHFSA-N 428.498 5.587 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)c4ccc5ncccc5c4)CC3)c2)cc1 19691102 AVCLZUAAGXNMQD-UHFFFAOYSA-N 437.543 5.634 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](c1ccc2c(c1)OCO2)N1CCN(Cc2ccccc2)CC1 19864040 ZQDQTBRVRBLLEB-NDEPHWFRSA-N 439.559 5.112 0 40 IKAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20106223 OMLNUCBNANEGPY-VWLOTQADSA-N 445.559 6.020 0 40 IKAB CCCCOc1cccc(C(=O)Nc2ccc3nc(NC(=O)c4ccco4)sc3c2)c1 20411018 HJPGRAOJJDMXSN-UHFFFAOYSA-N 435.505 5.573 0 40 IKAB CCOc1cc(CNCc2ccc(C)cc2)cc(Cl)c1OCc1ccc(Cl)cc1 22076721 FICZABPEEARVQO-UHFFFAOYSA-N 430.375 6.569 0 40 IKAB COc1ccc(CNCc2cc(Cl)c(OCc3ccc(Cl)cc3)c(OC)c2)cc1 22076781 MIYUPBSBQPEPMA-UHFFFAOYSA-N 432.347 5.879 0 40 IKAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N(Cc3ccco3)Cc3cccs3)c12 23074844 OUGCEMPOWMQGKL-UHFFFAOYSA-N 432.505 5.034 0 40 IKAB O=C(c1cc(Br)ccc1F)N(C[C@H]1CCCO1)c1nc2ccccc2s1 24002999 QCXWPHUZAMJXSZ-CYBMUJFWSA-N 435.318 5.024 0 40 IKAB CC/C=C/C(=O)OC[C@H](O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 26897348 NYEZVINCEJVQNO-HTDUPATJSA-N 443.587 5.170 0 40 IKAB Cc1ccc(NC(=O)c2nc(SCc3ccc(Cl)cc3)ncc2Br)cc1 28291985 XNJDWOJXJBPMHX-UHFFFAOYSA-N 448.773 5.746 0 40 IKAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)[C@H](C)c4cc5ccccc5o4)cc3)o2)c1 32753972 GTSATMOZQKIYIY-GOSISDBHSA-N 437.499 6.291 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3c(Cl)cccc3Cl)C2)cc1 38834469 SVXCTLFHFKWIRG-INIZCTEOSA-N 435.351 5.021 0 40 IKAB O=C(c1nnn(-c2cc(C(F)(F)F)ccc2Cl)c1-c1cccnc1)N1CCCCCC1 49003679 BTQYPLJEPUGBFN-UHFFFAOYSA-N 449.864 5.018 0 40 IKAB CCC(CC)(NC(=O)C1CCN(C(=O)CCc2ccccc2)CC1)c1ccc(Cl)cc1 58250604 IRQLMASATGSMJN-UHFFFAOYSA-N 441.015 5.343 0 40 IKAB O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1[nH]c2ccc(F)cc2c1Cl 69382212 SZDGGEGWIMQTRN-UHFFFAOYSA-N 441.812 5.068 0 40 IKAB Cc1cc(Cc2cccc(C(F)(F)F)c2)cc([C@@H]2CCCN(C(=O)c3cccnc3)C2)n1 72356065 WIVMLRWIKZILAX-OAQYLSRUSA-N 439.481 5.414 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H](c2nccnc2-c2cccc(Cl)c2)C1 72358975 ISLBWJCTKLBAEW-SFHVURJKSA-N 430.939 5.227 0 40 IKAB Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)CCCc1cccs1 84219765 RFEUIPMHMMTMEX-UHFFFAOYSA-N 435.568 6.755 0 40 IKAB Cc1nc(C2(NC(=O)c3sc4cc(Cl)cc(Cl)c4c3Cl)CCCC2)no1 84280668 MTGAGNWMWDZBBT-UHFFFAOYSA-N 430.744 5.752 0 40 IKAB O=C(c1ccc2cc[nH]c2c1)N(Cc1ccccn1)Cc1ccc(Br)cc1F 84609993 FVCQPHAMXJOPJB-UHFFFAOYSA-N 438.300 5.307 0 40 IKAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1CCCCN1Cc1ncc(-c2ccccc2Cl)o1 89662103 GRHRAEJAGOWHKT-PMACEKPBSA-N 445.991 5.749 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 102252256 FGLSGMOPXNUOLY-DHNNRRLOSA-N 430.617 6.269 0 40 IKAB O=C(COC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2)NCc1ccc(Cl)cc1 103267800 AOLIKTGQXBUVJN-WSQGFLFRSA-N 437.967 5.038 0 40 IKAB CCOc1ccc(N2C(=O)/C(=C\Nc3ccccc3OCC)c3ccccc3C2=O)cc1 104185438 KOULECWLOFZKDW-XLNRJJMWSA-N 428.488 5.124 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1F 222801162 UHHDLMICQZCVLY-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1ccco1 223088012 HQKHZKXJXKYCSK-BJKOFHAPSA-N 434.609 5.446 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)COc1ccc(C(C)(C)C)cc1 223166952 LWOJJXMARNYOKR-QHCPKHFHSA-N 438.612 5.085 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1)C(=O)CCSCc1ccccc1 223168002 NBDCTNVAFFVIIV-JOCHJYFZSA-N 426.626 5.032 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1Cl 223865166 DHVLQODPKKHJSJ-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 224102104 SYWNHVQTKZUTMB-QHCPKHFHSA-N 442.603 5.398 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC2CCCCC2)c1 225145512 VINXRSURYUDADC-FQEVSTJZSA-N 441.015 5.366 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(F)cc1 225361692 SCEYBOWGBIYQOF-HXUWFJFHSA-N 439.358 5.009 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccccc1C(C)C 225524852 GGCBKBMXJWRUHV-URXFXBBRSA-N 438.612 5.219 0 40 IKAB Cc1ccc(-c2noc(CNC(=S)Nc3ccc(CSc4ccccc4)cc3)n2)cc1 225817194 CCPXLAWXXNNKJF-UHFFFAOYSA-N 446.601 5.824 0 40 IKAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCC2(c3ccc(F)cc3)CCCC2)n1 225978453 MQTLEVOTDRIIOC-UHFFFAOYSA-N 441.620 5.103 0 40 IKAB CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl)c1ccccn1 257316126 VEFQXRJPEHGJOG-UGKGYDQZSA-N 448.438 6.037 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408622518 QXOXBOWRCVYOIJ-GOSISDBHSA-N 430.935 5.580 0 40 IKAB COc1cccc2c(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c(-c3ccccc3)[nH]c12 408633373 KDNQXKICNMFRJF-STZFKDTASA-N 441.512 5.938 0 40 IKAB Cc1cccc(NC(=O)c2cccc(N3C(=O)c4ccc(Br)cc4C3=O)c2)c1C 408673964 WPDFBOJHVXSVQD-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB O=C(NC1CCCCC1)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1 408703448 GAYCOVWYDYDNFM-QHCPKHFHSA-N 428.985 5.177 0 40 IKAB CC(C)C(NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)C(C)C 408704540 PGWSGNTYMSRJLW-XMMPIXPASA-N 445.028 5.525 0 40 IKAB Cc1ccc(-c2nnc(CN(C)C(=O)COc3cc(Cl)c(Cl)cc3Cl)o2)cc1 408714761 WMGSMNSWWQQLIT-UHFFFAOYSA-N 440.714 5.043 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3Cl)sc2c1 408750458 NHGCJONYQSIIDT-HZPDHXFCSA-N 442.993 5.922 0 40 IKAB COc1cc(Br)c(-c2nc(O)c3c4c(sc3n2)CCCCCC4)cc1OC 408989148 KEIKDUSUXOMMGH-UHFFFAOYSA-N 449.370 5.503 0 40 IKAB Cc1ccc(C(=C2[C@H]3C=C[C@H]2[C@H]2C(=O)N(c4ccc(F)cc4)C(=O)[C@H]32)c2ccc(C)cc2)cc1 409044876 CZFFPFGLVKMKML-NFFAYCCRSA-N 449.525 5.866 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1 409176842 ZDJFZHOFQVDGPA-LDTXMFMOSA-N 443.506 5.275 0 40 IKAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(OCc4cccc5ccccc45)cc3)C2=O)c1 409246949 LOXBCZBMMVPFRV-WPWMEQJKSA-N 448.522 5.820 0 40 IKAB CCn1c(CC(=O)Nc2ccc(C)cc2)nnc1SCc1ccc(Cl)cc1Cl 409327057 HESCZKZSQMATHL-UHFFFAOYSA-N 435.380 5.387 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4ccccc4c3)ccc2C)c1 409381249 LDHLBGYJTZMAOK-UHFFFAOYSA-N 430.529 5.510 0 40 IKAB Cc1cc2c(cc1-c1ccnc(Nc3cc(Cl)cc(Cl)c3)n1)NC(C)(C)C[C@H]2C 618257500 YCHMBAQHRTZOTG-CQSZACIVSA-N 427.379 7.200 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(NC(=O)[C@H](C)Oc3ccccc3)c2)cc1 713018 LBNHANMHNYISOF-INIZCTEOSA-N 438.911 5.397 0 40 IKAB O=C(COc1ccc2c(=O)c(Oc3ccccc3Cl)coc2c1)NC1CCCCC1 956115 HGKLOLJFBNRRPB-UHFFFAOYSA-N 427.884 5.066 0 40 IKAB CC1=C[C@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 1028673 OLBNGLBVDWDALE-RQCNGFAASA-N 441.568 5.380 0 40 IKAB biogenic COc1ccccc1-n1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1ccccc1 1221425 LJYSRZALSHZRQY-UHFFFAOYSA-N 444.560 5.291 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3cc(OC)ccc3c2Cl)sc2c1CCC2 1469878 PKGLZJIFQIKRFK-UHFFFAOYSA-N 435.954 5.543 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)c3ccccc3-c3ccccc3C(=O)O)ccc21 1719567 FWBOEFCUNSPGBD-UHFFFAOYSA-N 434.495 6.432 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1c(C)cc(Br)cc1C 1851905 QEYQABGTMMYIHK-SNAWJCMRSA-N 429.141 6.033 0 40 IKAB CC(C)c1ccc2oc(-c3cc(NC(=S)NC(=O)c4ccccc4F)ccc3O)nc2c1 1883956 JDWSDBUWPIEQHL-UHFFFAOYSA-N 449.507 5.590 0 40 IKAB CCOC(=O)c1c(Oc2ccc(C(C)=O)cc2)nnc(-c2ccccc2)c1-c1ccccc1 1971312 YWTXNKKFBPMMRJ-UHFFFAOYSA-N 438.483 5.982 0 40 IKAB CC(C)(C)c1c2c(nc3sc(C(=O)c4cccs4)c(N)c13)CC[C@@H](C(C)(C)C)C2 2092051 XHVMZLPCTAQEMD-CYBMUJFWSA-N 426.651 6.620 0 40 IKAB COc1cc(C2N(c3ccccc3)CCN2c2ccccc2)cc(Br)c1O 2307144 XNWNHWRXFBLKIS-UHFFFAOYSA-N 425.326 5.189 0 40 IKAB Clc1ccccc1OCc1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 2383387 YEYDIZVXOWQWDN-UHFFFAOYSA-N 430.939 5.782 0 40 IKAB CCOc1ccc(-c2nnc3c4cc5c(cc4n(Cc4ccccc4F)cc2-3)OCO5)cc1 2687723 JMYASNUKTLPMPE-UHFFFAOYSA-N 441.462 5.518 0 40 IKAB O=C(Cc1sc(-c2ccccc2Cl)nc1-c1ccccc1)Nc1ccc(Cl)cc1 3047514 ONIMIGROIDOSKL-UHFFFAOYSA-N 439.367 6.965 0 40 IKAB Clc1ccc(Cc2nc(SCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 3063728 AUDJBKXNXBQGGR-UHFFFAOYSA-N 445.802 7.473 0 40 IKAB CCCn1c(SCC(=O)Nc2cccc(Cl)c2C)nc2sc3c(c2c1=O)CCC3 3259651 YXSZFFGQIHWRLF-UHFFFAOYSA-N 448.013 5.049 0 40 IKAB Cc1ccc(C(=O)N(c2ccc(Oc3ccccc3)cc2)c2nc3ccccc3s2)s1 3348644 WEAHUYSBXSLWGR-UHFFFAOYSA-N 442.565 7.437 0 40 IKAB CCCOc1ccc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(Cl)c(Cl)c2)cc1 3666942 XXGMWZFMNJVVJU-JOCHJYFZSA-N 427.331 6.553 0 40 IKAB CC1(C)C=C2[C@H]3CC[C@@H]4[C@@]5(C)CC[C@H](O)C(C)(C)[C@@H]5CC[C@@]4(C)[C@]3(C)CC[C@@]2(C)CC1 5762328 QMUXVPRGNJLGRT-PNTWTTAKSA-N 426.729 8.169 0 40 IKAB biogenic,in-vitro CCc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1 8590328 PFFQAPCPNOECKV-NRFANRHFSA-N 430.529 5.487 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3sc(C)c(-c4ccccc4)c3c(=O)[nH]2)c1 8897048 UPVOLHIETPMJNI-UHFFFAOYSA-N 435.574 5.308 0 40 IKAB COc1cccc(NC(=O)c2cn(Cc3cccc(F)c3)nc2OCc2cccc(F)c2)c1 9101804 HCBRCLCLUCATQU-UHFFFAOYSA-N 449.457 5.050 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(Cc2ccccc2)cc1)c1nc2ccc(F)cc2s1 9151887 XIVRAQDYVHIJGA-UHFFFAOYSA-N 447.579 5.625 0 40 IKAB CCOC(=O)C1CCN(c2nc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)CC1 9216170 SALFWZUWAUYIFL-UHFFFAOYSA-N 435.911 5.476 0 40 IKAB CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1OC 9246719 NLSRMNLPXWHXLO-UHFFFAOYSA-N 441.597 5.248 0 40 IKAB COc1ccc(CNC(=O)[C@@H](C)Sc2ncnc3sc(-c4ccccc4)cc23)cc1 9493431 NSLICBPZQDCFHI-OAHLLOKOSA-N 435.574 5.164 0 40 IKAB Cc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)Nc2ccc(Cl)cc2)cc1 9599306 NMFDOVZCSQLJRL-UHFFFAOYSA-N 425.985 5.882 0 40 IKAB Cc1ccc(Cn2c(=O)n(-c3ccc(Cl)cc3)c(=O)c3c4c(sc32)CCCC4)cc1 9615703 IRXJMQFQFBLJFU-UHFFFAOYSA-N 436.964 5.103 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccccc2Cl)NC(=O)N1C1CC1 9781890 QWOWPBTUARXIIX-IBGZPJMESA-N 449.860 5.500 0 40 IKAB COc1ccc(-c2c(C)noc2-c2ccc(OCc3ccccc3F)cc2O)cc1OC 11866343 INSIIYODGBDLMQ-UHFFFAOYSA-N 435.451 5.758 0 40 IKAB biogenic CCCCOc1ccc(C(=O)NC[C@H](Cc2ccccc2)c2ccc(OC)c(OC)c2)cc1 12410716 QEDQQQNPVPACDE-DEOSSOPVSA-N 447.575 5.639 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccc(C)cc1)[n+]1ccc3cc(OC)c(OC)cc3c1C2 12660760 SGPKULBKXDBHAB-MUUNZHRXSA-N 442.535 5.012 0 40 IKAB biogenic Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 12847133 IIAIGXQNFMCHGE-MOPGFXCFSA-N 448.876 6.066 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)[C@H](C)Oc3ccc(Cl)cc3C)n2)c1 13098720 UNYRAZGDECZKOE-ZDUSSCGKSA-N 432.929 5.195 0 40 IKAB O=P1(Nc2ccc(OC(F)(F)F)cc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 13304764 KEYJVHQNRPJEGF-UHFFFAOYSA-N 443.361 7.303 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)c2ccccn2)c2cccc(F)c2)cc1 13502394 MWQWXKYOQVELAH-RUZDIDTESA-N 445.538 5.366 0 40 IKAB O=C(CSc1nnc(-c2ccccc2Cl)n1C1CCCC1)c1c(F)cccc1F 14141950 MUWYKSKZEKBFSR-UHFFFAOYSA-N 433.911 5.967 0 40 IKAB Cc1ccc(-c2nc(CCNC(=O)c3sc4cc(C)ccc4c3Cl)cs2)cc1 15832792 JAXHAEJZXLXGOX-UHFFFAOYSA-N 426.994 6.268 0 40 IKAB CCc1ccc(OCC(=O)Nc2cc3nn(-c4cccc5ccccc45)nc3cc2C)cc1 16162007 QNHRSCIXFMQZNV-UHFFFAOYSA-N 436.515 5.462 0 40 IKAB O=C(O)CC12C[C@@H]3C[C@H](C1)CC(n1ncc(NC4CCCCCCC4)c(Cl)c1=O)(C3)C2 16383011 FGMIRHLRSYPWQE-UPFYTXMWSA-N 448.007 5.192 0 40 IKAB Cc1cccc(-c2nn(Cc3c(F)cccc3Cl)c(-c3cccc(C)c3)c2Cl)c1 17094314 ASQCSUSBOPQOLK-UHFFFAOYSA-N 425.334 7.328 0 40 IKAB CCOC(=O)C1=C(c2ccccc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(C(C)C)cc1 17101519 VKFUIKKHGJCYLO-AREMUKBSSA-N 437.543 6.149 0 40 IKAB COc1ccc(-c2nn(-c3ccc(Cl)cc3Cl)c(-c3ccc(OC)cc3)c2C)cc1 17103129 FLQIGVRBKOTPAH-UHFFFAOYSA-N 439.342 6.839 0 40 IKAB CCOC(=O)N1CCc2c(sc(NC(=O)C(C)(C)C)c2-c2nc3ccccc3s2)C1 17297166 DRLMOQUPKPSXON-UHFFFAOYSA-N 443.594 5.524 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4ccc(F)cc4)CC3)c3ccccc3n2)cc1C 19629992 AJMNBUAFERHSGH-UHFFFAOYSA-N 439.534 5.620 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2ccccc2)nc2c1CCC(=O)N2CCc1ccccc1 19743132 GOUMBYQNGJIBLL-RUZDIDTESA-N 440.591 5.034 0 40 IKAB C[C@H](NC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1)c1nc2ccccc2[nH]1 19748828 PWABXRFDUAJKDB-INIZCTEOSA-N 444.501 5.061 0 40 IKAB CN(C)C(=O)c1cc([C@H]2CCN(C(=O)c3ccccc3-c3ccccc3)C2)nc2ccccc12 19760957 VYXASMSFKCBXOC-NRFANRHFSA-N 449.554 5.233 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Cl)c2cc(C)cc(C)c2)cc1 19947538 HOUSLTXDCIRJPU-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20110644 YCYGGQKHBNUHLD-HXUWFJFHSA-N 429.560 6.238 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 20140015 LWWGLVGVVZFGGN-UHFFFAOYSA-N 428.271 6.258 0 40 IKAB COc1cc(NC(=O)COc2c(C)cc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144553 KGVSGLHQUIPXSN-UHFFFAOYSA-N 436.291 5.080 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20509233 YRNMZUZYDDETIH-UHFFFAOYSA-N 438.961 5.912 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O 21524515 QXJGRPRTWGFCDJ-LJQANCHMSA-N 439.987 5.665 0 40 IKAB Cc1ccc(NC(=O)CN(c2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1C 22274843 MRQOOSFSOZZEFA-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(C)cc3)cc2Cl)c1 22522650 QUADVGBUSOUHID-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB CCc1ccc(S(=O)(=O)c2cnc3ccccc3c2NCc2ccc(OC)cc2)cc1 23109730 ATMDCTDMAHXXAB-UHFFFAOYSA-N 432.545 5.251 0 40 IKAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc(Cc3cccc4ccccc34)n2N)cc1 25390740 NNVPQCDIGHMUFL-KRWDZBQOSA-N 430.577 5.052 0 40 IKAB CCN(C(=O)COc1ccccc1OC)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993051 SCMFDWZGSLUELK-HHHXNRCGSA-N 428.532 5.502 0 40 IKAB CCc1ccc(N(CC(=O)c2ccc(Br)cc2)C2=N[C@@H](CC)CS2)cc1 28114369 JZBNVFKLVIWCBJ-SFHVURJKSA-N 431.399 5.582 0 40 IKAB COc1ccccc1CCNC(=O)CCc1c(C)c2cc3c(C)c(C)oc3c(C)c2oc1=O 28393323 NJCGEPXKYFTEKB-UHFFFAOYSA-N 447.531 5.073 0 40 IKAB COc1ccccc1-c1cnn2c1N=C(O)C[C@@H]2C(=O)Nc1ccc(Cl)c(Cl)c1 35684791 JIDJXNIIJTUKOC-MRXNPFEDSA-N 431.279 5.037 0 40 IKAB CCN1/C(=C/C=C(Cl)/C=C/c2sc3ccccc3[n+]2CC)Sc2ccccc21 39440275 CGRMYQQSUPZMNU-UHFFFAOYSA-N 426.030 6.818 0 40 IKAB Cc1nc(NC(=O)c2cccs2)sc1-c1csc(Nc2nccc3ccccc23)n1 40556500 KINYBOPNHWNKMY-UHFFFAOYSA-N 449.586 6.181 0 40 IKAB CCCCc1cc(=O)oc2cc(OCC(=O)c3ccc4c(c3)OCCCO4)c(Cl)cc12 41105510 IHNMDOOZXOIGGN-UHFFFAOYSA-N 442.895 5.212 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCSCc1c(F)cccc1Cl 44884797 LJLAGEMFHOLUCI-SFHVURJKSA-N 432.413 6.053 0 40 IKAB CC(C)(C)c1ccc(C2=NC3(CCCCC3)N(C(=O)c3ccc(Cl)cc3)C2=S)cc1 45932998 AYHMZPJCOVXLTM-UHFFFAOYSA-N 439.024 6.570 0 40 IKAB Cc1ccc(C(C)C)c(OCCSc2nc3ccccc3c(=O)n2-c2ccccc2)c1 59109455 KCGPGRBNMZEEEN-UHFFFAOYSA-N 430.573 5.989 0 40 IKAB CCCn1cc(-c2nc(-c3ccc(OC(F)(F)F)cc3)no2)c(=O)c2cc(F)ccc21 64963716 AMRRHJZQJLMSPH-UHFFFAOYSA-N 433.361 5.166 0 40 IKAB CCCOc1ccc(CNc2nc3c(-c4ccc(F)cc4)nnn3c3ccccc23)cc1 67261388 DNMDNNNNHWOFDU-UHFFFAOYSA-N 427.483 5.485 0 40 IKAB CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(CC)cc4)nccn3n2)cc1 67290273 VUTJGKSIHMNKBQ-UHFFFAOYSA-N 432.549 5.088 0 40 IKAB COc1ccc(OC)c(/N=c2\oc3ccc(Cl)cc3cc2C(=O)Nc2ccc(C)cn2)c1 67295204 GDMBKCGGFCNXQX-PNHLSOANSA-N 449.894 5.292 0 40 IKAB Cc1ccc(NC(=O)CSc2ncnc3c2[nH]c2ccc(C)cc23)c(Br)c1 72331983 HGIPWWJQLPGXLM-UHFFFAOYSA-N 441.354 5.221 0 40 IKAB CCN(CC)c1ccc(NC(=O)CN2C(=O)[C@H]3CCCC3=Nc3cc(C)c(C)cc32)c(C)c1 101681185 PJSAOKMUWDYTOF-NRFANRHFSA-N 446.595 5.316 0 40 IKAB CC(C)Oc1ccccc1/C=C1\SC(=O)N(Cc2ccc(Br)cc2)C1=O 106723052 NRKRQULCGFXHQA-WQRHYEAKSA-N 432.339 5.473 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(Cc4ccccc4Br)C3=O)c[nH]c12 106732766 CGJLLDJMUFQBTO-ZDLGFXPLSA-N 441.350 5.729 0 40 IKAB CCc1ccc(O[C@H](CC)C(=O)NCCSCc2ccc(Cl)c(Cl)c2)cc1 222879228 IFRRSOLFHAUPFQ-HXUWFJFHSA-N 426.409 5.763 0 40 IKAB C[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 223008488 PAIPYOIFEBXJIQ-QGZVFWFLSA-N 428.979 5.447 0 40 IKAB CC[C@@H](NC(=O)COc1ccc(C(C)C)cc1Br)c1ccc2c(c1)CCCC2 223081999 GWTRZVSOGDZUMJ-JOCHJYFZSA-N 444.413 6.098 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](CC)C(=O)NC)cc1 223364429 XWGOTFQJMPTEKP-NRFANRHFSA-N 435.395 5.042 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)cc1C 224035286 LSTWKNWGIPCGOX-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224153122 RPOBERISDWBURO-HNNXBMFYSA-N 430.331 6.072 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Cl)cc2Cl)cc1CSc1ccc(C)cc1 224337119 SOYUKBUQGIQAQZ-UHFFFAOYSA-N 432.372 6.855 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(Oc3ccccc3)cc2)c(C)[nH]1 224627301 VNORILRAVPJSJC-LOSJGSFVSA-N 440.572 5.996 0 40 IKAB Cc1ccc(CN(C(=O)CCCOc2ccccc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224748545 BLEBQQZKHPAMIE-QFIPXVFZSA-N 436.596 5.020 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1 224806854 UJNWFPGGCLDOKZ-HXUWFJFHSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 225557099 XZXOZEZISFMDAR-OFNKIYASSA-N 426.626 5.118 0 40 IKAB Cc1cc(NC(=S)NCCCSCc2ccc(Cl)cc2)ccc1Br 225609514 KVVBUSVPFFQOPU-UHFFFAOYSA-N 443.863 6.021 0 40 IKAB COC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OCC(C)C 225762328 IJSQWXKVMOAWRQ-UHFFFAOYSA-N 427.516 5.488 0 40 IKAB COc1ccc(NC(=O)CN2CCC[C@@H](c3ccc(Cc4ccc(Cl)cc4)cn3)C2)cc1 257215441 CQCOYUIXGRFKFG-OAQYLSRUSA-N 449.982 5.153 0 40 IKAB CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)cc1 257251015 JPAPHTFWLUHKPH-XMMPIXPASA-N 444.575 5.622 0 40 IKAB COc1c(C)cccc1C(=O)N1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)cc(C)n2)C1 257322029 WEHXMKFFNSCHTN-GOSISDBHSA-N 436.581 5.154 0 40 IKAB CC1(C)Oc2ccc(Cl)cc2[C@@H]2O[C@@H]3CCN(Cc4ccc(C(=O)O)cc4)C[C@H]3C[C@H]21 257345094 ZZXPGTDJAKUMGZ-TUUKDFBESA-N 441.955 5.178 0 40 IKAB O=C(CSCc1ccc(Br)cc1)NC(c1ccccc1)c1ccccc1 408572908 BROLKCKBDMRKMC-UHFFFAOYSA-N 426.379 5.588 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccccc3OCC(C)C)C2=O)c(C)c1 408599633 IMUMILPZORIQPZ-CIAFOILYSA-N 438.549 5.013 0 40 IKAB CCn1c(S/C(=C\c2ccccc2OC(C)C)C(=O)O)nnc1-c1ccc(Cl)cc1 408630676 AAIOLSIWCAOOQY-UYRXBGFRSA-N 443.956 5.623 0 40 IKAB CCN(CC)c1ccc(/C=C(\Sc2nnc(-c3ccc(Cl)cc3)n2CC)C(=O)O)o1 408634474 VAWDNEAHGPKEDT-LGMDPLHJSA-N 446.960 5.275 0 40 IKAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc(Br)c1Cl 408642804 NWNKKYHLXUSCMY-LLVKDONJSA-N 442.140 5.056 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccc(Oc2ccccc2)cc1 408648313 XJPCPMQHVYHDJR-UHFFFAOYSA-N 437.495 5.793 0 40 IKAB COc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(Cl)c3C)n2)cc1 408693679 BTYOFLJQTAZRKI-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)c1 408698937 TZHJSWDCFXYWEW-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB O=C(Nc1ccccc1)c1nc(-c2ccc(F)cc2)n(-c2ccc(Br)cc2)n1 408699948 XQDVBUFVBRQOHW-UHFFFAOYSA-N 437.272 5.088 0 40 IKAB O=C1OC(c2ccc(Br)cc2)=N/C1=C/c1ccccc1OC(=O)c1ccccc1 408839581 UNUGOOVISSEJJC-XMHGGMMESA-N 448.272 5.013 0 40 IKAB Cc1ccc(NCc2ccc(OCc3cccc(Cl)c3)c(Br)c2)c(C)c1 409115941 JXJUPDASSCMMOH-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cc(C(=O)O)ccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409128635 SSADPAOSCZXQGG-PXLXIMEGSA-N 447.512 5.622 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3c(Cl)cccc3Cl)C2=O)cc1C 409155852 DMBCHXXGWHUQNW-RQZCQDPDSA-N 435.332 5.285 0 40 IKAB Cc1ccc(OCCn2cc(C(=S)N3CCc4ccccc4C3)c3ccccc32)cc1C 409196781 XSNPVDYLXSUGJJ-UHFFFAOYSA-N 440.612 6.071 0 40 IKAB CCCc1sc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)nc1-c1ccc(Cl)cc1 409204650 IZMGAVPLCPJIKG-UHFFFAOYSA-N 440.996 6.634 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccccc2OCc2ccccc2)C1=O)c1ccccc1 409220125 UNYVGTKSNLOMJS-HZHRSRAPSA-N 429.497 5.185 0 40 IKAB CCCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3cc(Cl)ccc3C)C2=O)cc1 409351967 ZZEAUSCYCFIXOO-ODLFYWEKSA-N 444.940 5.112 0 40 IKAB COc1ccccc1-c1cc(-c2ccc(C)cc2OCC(=O)O)nn1CCc1ccccc1 2037873247 HZQIKNLYGRKAGP-UHFFFAOYSA-N 442.515 5.240 0 40 IKAB CC(=O)Nc1sc2c(c1[C@H](c1ccc(Cl)c(Cl)c1)N1CCOCC1)CCCC2 950051 FWFXWIIIOSUTDF-FQEVSTJZSA-N 439.408 5.314 0 40 IKAB Cc1sc2ncnc(S[C@H]3CCCCN(C(=O)c4ccc(Cl)cc4)C3=O)c2c1C 952940 HUIKYYJOYANYKL-INIZCTEOSA-N 445.997 5.275 0 40 IKAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3c(F)cccc3Cl)c3ccccc32)cc1 1320593 UHESYKXBFWZOIH-RUZDIDTESA-N 437.898 5.049 0 40 IKAB COc1ccc(-c2cc3nc4c(c(NCc5cccc(C(F)(F)F)c5)n3n2)CCC4)cc1 1340936 GZGOVFQUKCKGAB-UHFFFAOYSA-N 438.453 5.525 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccccc4Cl)n3)cc2C[C@H]1C 1366617 JIIGFWGALJWBSK-CYBMUJFWSA-N 425.941 5.403 0 40 IKAB O=C(NC1CCCC1)[C@H](c1cccs1)N(C(=O)c1ccco1)c1ccc2c(c1)CCC2 1380059 NUXSGPGVWRMXKN-QHCPKHFHSA-N 434.561 5.277 0 40 IKAB FC(F)(F)c1cccc(-n2cc(-c3ccccc3)c3c(NC[C@@H]4CCCO4)ncnc32)c1 1447551 BIUBSRZFWGNIHV-IBGZPJMESA-N 438.453 5.697 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CCCC3)cc1 1746132 LORZMNHXAOWKON-UHFFFAOYSA-N 446.641 7.453 0 40 IKAB CC(C)[C@H]1C2c3ccccc3C(c3ccccc32)[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 2177305 PFRCVDFDQAASQQ-OJVSJSBUSA-N 436.382 7.111 0 40 IKAB Brc1ccc([C@H]2Nc3ccc(Br)cc3[C@@H](c3ccccc3)O2)cc1 2332861 OWSSYKJUUWTEFB-UXHICEINSA-N 445.154 6.442 0 40 IKAB CCOc1ccc(C(C)=O)cc1COc1ccc(Br)cc1Br 2647698 IWQGLBSYVKAZGO-UHFFFAOYSA-N 428.120 5.392 0 40 IKAB Cc1c(C(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)oc2c1ccc1ccccc12 2663717 NZAWCARWEXBXSZ-UHFFFAOYSA-N 436.515 6.132 0 40 IKAB Clc1ccc(SCc2nc(Sc3ccccc3)c3c4c(sc3n2)CCC4)cc1 3299793 QJHTZYZYCOMGGT-UHFFFAOYSA-N 441.046 7.277 0 40 IKAB O[C@@]1(c2cccs2)c2cccc(Cl)c2[C@](O)(c2cccs2)c2cccc(Cl)c21 6040870 CQLPZIXZXBMJOU-FGZHOGPDSA-N 445.392 5.998 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)c(C(=O)OCc4ccccc4)c3c2)c(C)c1 8439192 MBXJDUNURJNKSO-UHFFFAOYSA-N 449.528 5.516 0 40 IKAB CC1=NN(c2ccccc2)[C@@]2(SC(c3ccccc3)=NN2c2ccccc2)c2ccccc21 8442459 TZJXWXYYKGLHLR-NDEPHWFRSA-N 446.579 6.656 0 40 IKAB COC(=O)c1ccc(-c2ccc(/C=C3\SC(=N)N(c4ccc(Cl)cc4)C3=O)o2)cc1 8443433 CTJDZOHGCPMOSK-PNVGRYOSSA-N 438.892 5.442 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)cc1 8606590 KOSYNXBSDWQMER-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1 8673840 QGWXDQRIOYPKAL-UHFFFAOYSA-N 433.558 5.588 0 40 IKAB aggregator CCc1cccc2c(C3=Nn4c(nnc4[C@H]4CCCO4)S[C@H]3c3ccccc3)c[nH]c12 8745060 MTIWRZGFHIXNLW-KNQAVFIVSA-N 429.549 5.273 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3ccc(Cl)cc3)cc2)cc1 8783521 OOKYPJWTFDPJGB-UHFFFAOYSA-N 428.941 5.134 0 40 IKAB CC(C)c1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 8836946 YPGOBGGEMLQKLB-ZCYQVOJMSA-N 447.376 6.815 0 40 IKAB Cc1c(Cl)cccc1-c1ccc(CNCCCSc2nnnn2-c2ccccc2)o1 8914721 BFWQCRNTJNJMSO-UHFFFAOYSA-N 439.972 5.156 0 40 IKAB Cc1ccc(NC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)c(C)c1 8919397 UBYBCVRXQCSETE-UHFFFAOYSA-N 443.572 5.259 0 40 IKAB Cc1ccccc1NC(=O)c1cn(Cc2cccc(F)c2)nc1OCc1cccc(F)c1 9101731 MYFFKSXYDWNEJO-UHFFFAOYSA-N 433.458 5.349 0 40 IKAB O=C(Nc1ccc(-c2nc(-c3cccc(N4CCCC4=O)c3)cs2)cc1)c1ccco1 9255580 UNRPWUVMSHHNJK-UHFFFAOYSA-N 429.501 5.449 0 40 IKAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1-c1ccc(C(F)(F)F)cc1 9284962 OUAFVNVCPHHHAW-UHFFFAOYSA-N 426.438 5.461 0 40 IKAB Cc1sc(NC(=O)c2ccc(CN(C)C)cc2)nc1-c1ccc(Br)cc1 9336472 NSBQVRFJUPFIFS-UHFFFAOYSA-N 430.371 5.195 0 40 IKAB CSc1nc2ccc3nc(NC(=O)c4ccc(Oc5ccccc5)cc4)sc3c2s1 9404748 LDTRAWGWTOUCKH-UHFFFAOYSA-N 449.582 6.673 0 40 IKAB O=C(CSc1nnc(-c2cccnc2)o1)N1c2ccccc2SC[C@H]1c1ccccc1 9463572 OQPQCOSWEZPBEC-IBGZPJMESA-N 446.557 5.104 0 40 IKAB Cc1cc(C)c(NC(=O)c2ccc(N3C(=O)c4cccc5cccc(c45)C3=O)cc2)c(C)c1 9540398 KGABJQDORXWYCY-UHFFFAOYSA-N 434.495 5.818 0 40 IKAB O=c1c2ccccc2n2c(SCc3ccc(Cl)cc3)nnc2n1Cc1ccccc1 9947298 JBUWYUSINMMSEA-UHFFFAOYSA-N 432.936 5.038 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1cccc(C(F)(F)F)c1 10366771 PCQAWOLMBOZLRZ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB Cc1c(Cl)ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(Cl)s3)nc12 11159925 AMDPWTQGZSPWHA-NSHDSACASA-N 427.378 5.799 0 40 IKAB COc1ccc2c(c1)N[C@]1(COC3(CCN(Cc4ccccc4Cl)CC3)C1)c1cccn1-2 12086187 ZDKYNBCYHBXLSO-AREMUKBSSA-N 449.982 5.215 0 40 IKAB O=C(Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2)c1ccc(C(F)(F)F)cc1 12375350 LFLGCLKWDYUYLM-UHFFFAOYSA-N 442.481 5.656 0 40 IKAB CC[C@@H](C(=O)N1CCN(c2nc3ccccc3nc2-c2ccccc2)CC1)c1ccccc1 12418889 LFGCNBYESLAGSP-HSZRJFAPSA-N 436.559 5.139 0 40 IKAB Cc1cccc(C(=O)Nc2ccc(NC(=O)COc3ccc(Br)cc3)cc2)c1 12466589 IIUGQUAHMQAINM-UHFFFAOYSA-N 439.309 5.027 0 40 IKAB Cc1ccccc1OCc1nnc(S[C@H](C)c2nc(C(C)C)no2)n1-c1ccccc1 12527621 XIEWBHLYUXHIJV-QGZVFWFLSA-N 435.553 5.514 0 40 IKAB CCOc1ccc(-n2c(Cc3ccccc3)nnc2S[C@@H](C)c2nc(C(C)C)no2)cc1 12536854 XEWMSXAZSWFXIR-KRWDZBQOSA-N 449.580 5.617 0 40 IKAB Cc1ccc(-n2c(C)nnc2SCC(=O)N(c2ccccc2)c2nc(C)cs2)cc1 12553155 SSYIXQZSWDWFGW-UHFFFAOYSA-N 435.578 5.106 0 40 IKAB CC(C)c1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)cc1 12816132 DCDKFLVJWYCXKK-UHFFFAOYSA-N 434.970 5.243 0 40 IKAB Cc1ccccc1OCc1n[nH]c(SCc2ccc(C(=O)Nc3ccccc3)cc2)n1 12915593 YUXWEKQZXUOPAJ-UHFFFAOYSA-N 430.533 5.237 0 40 IKAB C[C@@H]1CCCN(Cn2nc(-c3ccc(Cl)cc3Cl)n(-c3ccccc3)c2=S)C1 13063532 WPYAZTUZFIVYFM-OAHLLOKOSA-N 433.408 6.066 0 40 IKAB C[C@@H](NC(=O)CSc1nc2ccccc2n1-c1ccccc1)C12CC3CC(CC(C3)C1)C2 13526782 NEKMBZQNMLHGLG-FVFHPELPSA-N 445.632 5.839 0 40 IKAB COc1cc(OC)c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1Br 13552593 VKQKLBGZEVXHCR-UHFFFAOYSA-N 435.321 6.190 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@H](c3cccs3)C2)cc1 13655688 FDSBLRARTRFCST-QFIPXVFZSA-N 431.586 6.544 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)c(C)c3)cc2)cc1 14030956 UQDHDIAUMYDMRK-UHFFFAOYSA-N 438.549 5.145 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1 14270873 CLKICDLPOTTWNJ-UHFFFAOYSA-N 441.512 5.985 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2)o1)Nc1cccc(-c2nc3ncccc3o2)c1 14271956 OYYYEMPLQPPHCH-ACCUITESSA-N 441.874 6.455 0 40 IKAB Cc1ccccc1OCC(=O)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 14272037 VWNBIJVPIQLWBS-UHFFFAOYSA-N 443.355 6.596 0 40 IKAB COc1ccc2nc(NC(=O)COc3c(Cl)c(C)c(Cl)c(C)c3Cl)sc2c1 14272432 HYIWHKZHIUSGKZ-UHFFFAOYSA-N 445.755 5.899 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccccc1F 15018883 PZXLJWTUCYDCTL-UHFFFAOYSA-N 444.491 5.550 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N[C@H]1CCCc2ccccc21 15910560 GEQUCKYWMAGPGP-FQEVSTJZSA-N 431.586 5.644 0 40 IKAB COc1ccc(CCNCc2ccc(OCc3cccc(Cl)c3)c(OC)c2)cc1OC 16227438 NQBFFWHIRBXZKX-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(Cl)cc3)no2)cc1 16846448 OIYGVMFBBBEKLN-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB COC(=O)c1cc(C)sc1NC(=O)c1cc(-c2ccc(C)cc2)nc2c(C)cccc12 17097027 BAUWJKKCXNDRJW-UHFFFAOYSA-N 430.529 5.927 0 40 IKAB COc1c(Br)cc(Br)cc1/C=C/C(=O)Nc1cccc(C)c1C 17103015 LZZZIUIQUAOPRB-BQYQJAHWSA-N 439.147 5.489 0 40 IKAB O=C(CSc1nccn1Cc1ccc(Cl)cc1)Nc1ccc(Cl)c(Cl)c1 17155966 RNAPGZRWQHISME-UHFFFAOYSA-N 426.756 5.622 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CSCc4ccc(Cl)cc4)cc3)sc2c1 18051294 JVSYAQKFTODLNJ-UHFFFAOYSA-N 439.005 6.797 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1cc(C(=O)O)ccc1Cl 20150873 LGQCMJHASRLBRN-XBXARRHUSA-N 436.678 6.257 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20493905 QYAUFZGTAPNHAB-OAQYLSRUSA-N 428.315 6.021 0 40 IKAB CCCc1nnc2sc(-c3cccc(NC(=O)CSc4ccc(Cl)cc4)c3)nn12 20609674 RAMZQSRSBYTPGI-UHFFFAOYSA-N 443.985 5.190 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cccnc3SCC(F)(F)F)n2)cc1 22522942 OPLPFMDZPVGTAT-UHFFFAOYSA-N 425.457 5.120 0 40 IKAB Cc1ccc(N2C(=O)C(O)=C(c3ccc4ccccc4n3)[C@@H]2c2ccc(Cl)cc2)cc1 23409427 XNCWSBKWLQHIHG-DEOSSOPVSA-N 426.903 6.254 0 40 IKAB COC(=O)CC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(C)=O)CC[C@@]4(C)C3=CC[C@@]12C 25555223 ORGPIPGUNTVRMI-LTFXRZNRSA-N 430.629 6.086 0 40 IKAB Cc1ccc(CCC2CCN(C(=O)c3ccccc3N(C)C(=O)c3cccs3)CC2)cc1 25710457 MTYZPUZAEIASMP-UHFFFAOYSA-N 446.616 5.818 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2cccc(F)c2)c2ccccc2)c1C 26770786 HMYQFBUIBKFPIN-DEOSSOPVSA-N 430.548 6.958 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3Cl)CC2=O)cc1 27792712 TXKYSAUYXNECMA-IBGZPJMESA-N 445.950 5.598 0 40 IKAB CCCOc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c2cccnc12 32624141 JDYBZBYYWSJBCV-UHFFFAOYSA-N 439.309 6.093 0 40 IKAB O=C([C@H]1CCCC[C@@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc23)CC1 32904471 YKBICSCPQRCOBS-SFTDATJTSA-N 441.600 6.367 0 40 IKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCOc2ccc(Cl)cc2)CC1=O 35146533 NCASVNNDJIFCCE-KRWDZBQOSA-N 425.960 5.273 0 40 IKAB CCOc1ccccc1NC(=O)[C@@H](NCC1(N2CCCCC2)CCCCC1)c1ccccc1 39944128 WHJCOBIQSLFYJH-SANMLTNESA-N 449.639 5.544 0 40 IKAB CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 44843031 SRFWWNQJZSBBTG-RDPSFJRHSA-N 430.548 5.591 0 40 IKAB CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccc(C(C)C)cc2)n2c(nc3ccccc32)N1 44859750 GDDADAFPIWWYRB-VWLOTQADSA-N 429.564 6.325 0 40 IKAB CC1(C)C[C@@H](NC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)c2ccccc2O1 44918406 NUBLTADSXUTGCJ-OAQYLSRUSA-N 447.406 5.624 0 40 IKAB Cc1c(NC(=O)c2ccc(COc3ccc(F)cc3)o2)cccc1C(=O)Nc1ccccc1 58342125 NZFRHSUXQNAAQW-UHFFFAOYSA-N 444.462 5.811 0 40 IKAB O=C(Nc1ncc(Cc2ccccc2F)s1)c1ccc(C2SCCCS2)cc1 65521951 MTIYJKWCBZGKHH-UHFFFAOYSA-N 430.595 5.994 0 40 IKAB CCn1c(SCC(=O)N2CCC[C@H]2c2nc3ccccc3n2C(C)C)nc2ccccc21 72306565 XTFOQEHSGNIJNP-QFIPXVFZSA-N 447.608 5.443 0 40 IKAB Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)n1 72372646 PZUAIFZWNKRODE-DEOSSOPVSA-N 443.526 5.445 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)CCc3c[nH]c4ccccc34)n2)n1 72375560 HFEMDRFLMBLDFG-HSZRJFAPSA-N 440.551 5.010 0 40 IKAB CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(Cl)c2)cc1 72376622 ZJZRLUMPFICWKE-QHCPKHFHSA-N 449.986 5.159 0 40 IKAB Cc1ccc(-n2c(SCc3cccc(C)c3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 73690829 XAGRGQYUIFYDDB-UHFFFAOYSA-N 437.568 6.290 0 40 IKAB C[C@H]1[C@H](O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 85764167 OFLPXEYYLDOAPP-YJDBOEBCSA-N 444.744 7.220 0 40 IKAB CCOc1ccc(NC2=C[C@@H](c3ccc(Cl)cc3)N(c3ccc(OCC)cc3)C2=O)cc1 103679379 VQIXEHPBDLXSQC-VWLOTQADSA-N 448.950 6.221 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C\c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)C2=O)c1 106708892 VQLNDARAQBKXPV-STZFKDTASA-N 437.605 6.532 0 40 IKAB CCOc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1ccccc1C 108057986 DXPLKILQHHNXKE-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB Cc1ccc(-c2nc3sc(C(=O)Nc4ccc(C(F)(F)F)cn4)c(N)c3cc2C)cc1 215710085 AXNUSHRPYWMNIT-UHFFFAOYSA-N 442.466 5.828 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 219960542 CASCUAZPLAKJRA-UHFFFAOYSA-N 426.604 6.264 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccco1 222719219 NVHKDVPUBCMVFU-UHFFFAOYSA-N 449.359 5.388 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222840180 ULBVPLHCXGRCFU-PMACEKPBSA-N 430.499 5.272 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccncc2)c(C)n1C1CCCCC1 223493184 AUTLOKRCUNKUON-DQEYMECFSA-N 445.636 5.573 0 40 IKAB CC(C)(C)c1ccc(OCCNC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 223649491 LLSNNLDFNHVUQC-UHFFFAOYSA-N 437.967 6.025 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 224051910 LFGZOWPFAGLSQO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(F)cc1 224393243 HVTXMEJTENBAAU-DNQXCXABSA-N 444.535 5.197 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCc2cccc3ccccc23)cc1 224567840 LYWSPGVRTAXCIL-UHFFFAOYSA-N 444.556 5.520 0 40 IKAB CCOc1ccc(-c2cnc(-c3ccccc3C(=O)NCc3ccc4c(c3)OCO4)o2)cc1 224922157 IQDJXCAHECMKBI-UHFFFAOYSA-N 442.471 5.066 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@@H](C)C[C@H](C)C4)cc3)CCCCC2)cc1 225542506 VHWFFEJZKAJDRV-ZEQRLZLVSA-N 448.651 6.192 0 40 IKAB COc1ccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1 225731112 IIANDQSPIHBIHH-HBVBNRCBSA-N 448.588 5.431 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCCCC4)n3)CCCC2)cc1 225978869 GZDWVDBAJFQUJT-UHFFFAOYSA-N 448.011 5.058 0 40 IKAB C[C@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@H]1C[C@H]2CC[C@H]1C2 239412364 SPFMYGMPPCZEPK-ILLUSGFKSA-N 432.490 5.098 0 40 IKAB Cc1ccc2oc(CN3CCCC[C@H]3C[C@@H](NC(=O)C(C)(C)C)c3ccccn3)c(C)c2c1 257241914 IAFKJXIADCKNDQ-XUZZJYLKSA-N 447.623 6.093 0 40 IKAB COc1ccc(CC(=O)N2CC[C@H](c3cc(Nc4ccc(C)cc4)cc(C)n3)C2)cc1OC 257295992 RATRQUWGMUXJJJ-NRFANRHFSA-N 445.563 5.018 0 40 IKAB O=C(O)c1cccc(NCc2cc(Br)ccc2OCc2ccccc2F)c1 408604540 DSSUVMNELQYJEZ-UHFFFAOYSA-N 430.273 5.478 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 408678102 FPUHJYMVFMRDSL-SFHVURJKSA-N 432.800 5.854 0 40 IKAB CC(C)(C)c1ccccc1OCC(=O)NCCSCc1ccc(Cl)cc1Cl 408681872 UUFSWRURJLMCPS-UHFFFAOYSA-N 426.409 5.719 0 40 IKAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccccc3OCc3ccc(C)cc3)S2)cc1 408786228 HJHSYCRJPBKRBK-GTWFGUSFSA-N 430.573 5.736 0 40 IKAB CC(C)CCC1=NN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)[C@@](O)(C(F)(F)F)C1 408958415 YQCWTNLAEOHXBU-DIFFPNOSSA-N 441.277 5.036 0 40 IKAB CCOc1ccc2c(c1)[C@H]1O[C@@H](COc3ccccc3Cl)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265070 UEGMJJIOLJUJQK-KLDKWKSESA-N 446.927 5.136 0 40 IKAB Cc1cc(Br)cc(C)c1NS(=O)(=O)c1ccc2c(c1)Cc1ccccc1-2 643512 DQELPKQDBBHGKV-UHFFFAOYSA-N 428.351 5.438 0 40 IKAB Cc1ccc(C(C)C)c(OCc2ccc(C(=O)NCc3ccc(Cl)cc3Cl)o2)c1 659074 KJMPPEKCTFKRHN-UHFFFAOYSA-N 432.347 6.527 0 40 IKAB Nc1c(C(=O)NCc2cccc(C(F)(F)F)c2)sc2nc(-c3cccs3)ccc12 660290 WAVODPNOXNIYEI-UHFFFAOYSA-N 433.480 5.556 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)n1-c1ccccc1 869079 TZUONQMAPXRYRQ-UHFFFAOYSA-N 428.561 5.590 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)cc(C)c2)nnc1-c1ccccc1Br 886804 JVRZMQTYBODBOL-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 997875 DXROIQWNCCCYOT-HNNXBMFYSA-N 437.565 5.214 0 40 IKAB Cc1ccc2cc(CN(C(=S)Nc3cccc(Cl)c3)C3CCCC3)c(=O)[nH]c2c1 1224233 ZZWLVINAOCMHDN-UHFFFAOYSA-N 425.985 5.632 0 40 IKAB CC(C)c1ccc(-c2noc([C@@H]3CCCN(S(=O)(=O)c4ccc(Cl)cc4)C3)n2)cc1 1360108 GQBHFKIDJNZATG-GOSISDBHSA-N 445.972 5.082 0 40 IKAB CCCCCC(=O)N[C@H](NC(=S)Nc1cccc(Cl)c1)C(Cl)(Cl)Cl 1787019 BPVNZUGEYRLHQH-CYBMUJFWSA-N 431.216 5.019 0 40 IKAB CCOC(=O)c1ccc(-n2c(-c3ccccc3Cl)nc3nc4ccccc4nc32)cc1 2224262 RNSOIECJHHGXIM-UHFFFAOYSA-N 428.879 5.466 0 40 IKAB Brc1ccccc1-c1nc2c3c(ncn2n1)-c1ccccc1CC31CCCCC1 2250030 YAEODUJUBWKSBC-UHFFFAOYSA-N 445.364 5.979 0 40 IKAB CCc1ccc(NC2=C[C@H](c3cccc4ccccc34)N(c3ccc(CC)cc3)C2=O)cc1 2304598 FNJDCWPDOZTSSX-GDLZYMKVSA-N 432.567 7.049 0 40 IKAB CC(C)c1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1 2399958 YRHGQWHOGNYDPR-GCJKJVERSA-N 437.923 5.294 0 40 IKAB Cc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccccc3C)c12 2693337 DXDKHWXWZSMKCJ-UHFFFAOYSA-N 428.582 6.377 0 40 IKAB O=S(=O)(c1ccccc1)c1nc(-c2ccco2)oc1SCc1ccccc1Cl 2721822 WVPAATMFGNGTLR-UHFFFAOYSA-N 431.922 5.713 0 40 IKAB C[C@H]1C[C@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(Cl)cc2)CC(C)(C)C1 2974922 GGYIHUAHJDCRLH-RXVVDRJESA-N 445.010 7.368 0 40 IKAB CC1(C)C[C@@](C)(c2ccc(Cl)cc2)c2ccccc2N1C(=O)Nc1ccc(Cl)cc1 3235047 UXWSWCFDFDSZMC-VWLOTQADSA-N 439.386 7.520 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccccc2Cl)cc1 3352865 FKAJDLWVXFDLQX-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(Cl)cc(Cl)c1I 3415190 LUSZMFZFMMPLPO-UHFFFAOYSA-N 434.104 5.721 0 40 IKAB Cc1ccc(NC(=O)CN(CC(=O)Nc2ccc(C)cc2)Cc2ccc(Cl)cc2)cc1 3529786 AFCYRXVWDQQUOL-UHFFFAOYSA-N 435.955 5.036 0 40 IKAB COc1ccc(C(=O)CSc2nnc(-c3ccc(Cl)cc3)n2-c2ccccc2)cc1 6136567 UCOOOZIUELXDBZ-UHFFFAOYSA-N 435.936 5.571 0 40 IKAB Cc1[nH]c2ccccc2c1C1(c2c(C)[nH]c3ccccc23)C(=O)Nc2c1ccc(Cl)c2C 8398358 HRIKOHJQKNLRLF-UHFFFAOYSA-N 439.946 6.514 0 40 IKAB CCOc1cc(-c2ccc3c(c2)OCO3)c/c(=N\c2cccc(OC)c2)c2c(C)oc(C)c12 8445753 MWNJTZSNKXRPKI-XAYXJRQQSA-N 443.499 6.085 0 40 IKAB CC(C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(-c5ccccc5)cc4)nc3c2)c1 8832130 LCVAHCVHVHRYCM-UHFFFAOYSA-N 448.522 7.201 0 40 IKAB CCc1ccc(-n2nc(C)c(=O)c(-c3ccccc3)c2NC(=O)c2ccc(OC)cc2)cc1 8836337 ZTNFWFTYXVYMPT-UHFFFAOYSA-N 439.515 5.031 0 40 IKAB COc1ccc(Cl)c(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(C)cc3)CC2=O)c1 8915810 FLCFQAXSYIAECY-IBGZPJMESA-N 445.950 5.576 0 40 IKAB C[C@@H](NCc1ccc(OCc2c(Cl)cccc2Cl)cc1)C12CC3CC(CC(C3)C1)C2 8932132 BSVQZDXYLITYTK-GWKODMSMSA-N 444.446 7.267 0 40 IKAB O=C(CSc1ncnc2ccccc12)N1N=C(c2cccs2)C[C@@H]1c1cccs1 9222834 QWDWFQBAONGDDQ-QGZVFWFLSA-N 436.587 5.223 0 40 IKAB Cc1cc(C)c(NC(=O)COc2ccccc2NC(=O)Nc2cccc(Cl)c2)c(C)c1 9235650 YNOJYACJLAKDQW-UHFFFAOYSA-N 437.927 5.927 0 40 IKAB c1ccc(CCc2nnc(SCc3nc(-c4cccs4)no3)n2-c2ccccc2)cc1 9409430 LWGUFUAHJZZDGO-UHFFFAOYSA-N 445.573 5.456 0 40 IKAB C[C@H](C(=O)NCc1nc(-c2ccccc2)no1)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9420662 ZHZUSMRGTDOSAQ-AWEZNQCLSA-N 430.895 5.444 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)nnc1-c1cccnc1 9492214 CYTQJCQLMLWKPR-OALUTQOASA-N 449.624 5.049 0 40 IKAB Cc1nn2c(C)c(C(=O)Nc3ccc(Oc4ccccc4)cc3)nnc2c1-c1ccccc1 9698408 DLYYDTRJNQZHTO-UHFFFAOYSA-N 435.487 5.453 0 40 IKAB CCCN(CC(=O)Nc1ccc(-c2ccccc2)cc1)Cc1nnc(-c2cccs2)o1 9798034 NKOOFCAHDTWQRF-UHFFFAOYSA-N 432.549 5.316 0 40 IKAB Cc1c(C)n(C2CCCC2)c2ncnc(OC3CCN(C(=O)[C@@H](C)c4ccccc4)CC3)c12 12133580 DZABOZBDSFPOJQ-IBGZPJMESA-N 446.595 5.337 0 40 IKAB O=C(CSc1nc2ccccc2n1CCc1ccccc1)Nc1cccc2ccccc12 12311308 HJXYGKYAMZOOON-UHFFFAOYSA-N 437.568 6.163 0 40 IKAB CC(=O)c1cccc(N(C(=O)c2ccco2)[C@H](C(=O)NC2CCCCC2)c2ccc(C)o2)c1 12479718 KKJDWBLRFIHLQB-DEOSSOPVSA-N 448.519 5.221 0 40 IKAB O=C(CCCN1C(=O)c2cccc3cccc(c23)C1=O)OCc1ccc(Cl)cc1Cl 12620913 XOIYTOIWOYOQMR-UHFFFAOYSA-N 442.298 5.266 0 40 IKAB COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)C2CCCCC2)cc1 12644373 TYJICUHFXYAMMN-UHFFFAOYSA-N 432.564 5.263 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 12645961 LIPDZXKSAOVPMG-UHFFFAOYSA-N 449.963 5.613 0 40 IKAB Cc1cc(C)cc(C(=O)N(C(=O)c2cc(C)cc(C)c2)c2ccc(Br)cn2)c1 12651359 HECKUZBPXFLCAK-UHFFFAOYSA-N 437.337 5.565 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4ccc(C)c(Cl)c4)cc3N2)cc1 12846943 GPZSMSYTTQJDIX-MJGOQNOKSA-N 448.876 6.066 0 40 IKAB CN(Cc1ccc(Cl)s1)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 13112238 WUNHRWCLMORHGH-UHFFFAOYSA-N 439.993 5.762 0 40 IKAB Cc1cccc(NC(=O)CCCOC(=O)c2cc(-c3ccc(F)cc3)nc3ccccc23)c1 13131850 OFFJYLVKRIZEGN-UHFFFAOYSA-N 442.490 5.925 0 40 IKAB CCOc1cccc(COC(=O)Cc2c(Cl)cccc2Cl)c1OCc1ccccc1 13134446 IGJOOTYTRWNFSW-UHFFFAOYSA-N 445.342 6.257 0 40 IKAB COc1cccc2cc(C(=O)Nc3nc4ccccc4s3)/c(=N/c3ccccc3C)oc12 13382168 IJUKMBFPHUCNSX-LCUIJRPUSA-N 441.512 5.844 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3c(OC)cccc3[C@H]3CC(c4ccccc4)=NN23)cc1 13536014 LUEVWYISICJEBT-SQHAQQRYSA-N 428.532 6.116 0 40 IKAB O=C(NCc1ccccn1)c1ccc2nc(-c3ccsc3)c(-c3ccsc3)nc2c1 13992503 NJZTXMRGOUNPFV-UHFFFAOYSA-N 428.542 5.412 0 40 IKAB O=C(CSc1ccc2ccccc2c1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 14182600 YRJZNKQCYUWDQR-UHFFFAOYSA-N 449.963 5.827 0 40 IKAB O=C1C[C@H](c2ccc(OCc3ccccc3F)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085154 ZXNUVAGMFKFYEO-HXUWFJFHSA-N 428.467 5.346 0 40 IKAB CSc1ccc(-c2noc(-c3scc(-c4cccc(C)c4)c3-n3cccc3)n2)cc1 15829094 SWGCUWIVCIVHEE-UHFFFAOYSA-N 429.570 6.953 0 40 IKAB COc1cc(NC(=O)c2cccc3c(=O)c(C)c(-c4ccccc4)oc23)c(OC)cc1Cl 15970107 JMQKMJIGIOHRLD-UHFFFAOYSA-N 449.890 5.691 0 40 IKAB Cc1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1S(=O)(=O)Nc1cccc(Cl)c1 16035661 BRQORNZSNPSHJC-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB O=C(NCc1ccc(CNC(=O)Nc2ccc(Cl)cc2)cc1)Nc1ccc(Cl)cc1 16401520 FIKNVNRLFQDRSO-UHFFFAOYSA-N 443.334 5.637 0 40 IKAB CCOc1cc(CN[C@@H](CC)CO)cc(Cl)c1OCc1ccc(Cl)cc1Cl 16611384 JZERZUJBCMDERO-INIZCTEOSA-N 432.775 5.485 0 40 IKAB Cc1ccc(C(=O)CSc2nnc([C@H](C)N(C)C)n2-c2ccc(Cl)cc2)cc1C 16685432 XRXDQTLCSANPBH-INIZCTEOSA-N 428.989 5.135 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@@H](C)CC)cc3)nc2)cc1 17096623 BRTFZOBRZKXEKS-OALUTQOASA-N 429.564 6.613 0 40 IKAB COc1cccc(N(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)c2ccccc2Cl)c1 17197283 PKPRBMUMXNCCAJ-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB O=C(CSc1c(-c2ccccc2)c2cc(Cl)ccc2[nH]c1=O)NCCc1ccccc1 18254479 CFRYEQCHMAFNCF-UHFFFAOYSA-N 448.975 5.300 0 40 IKAB CCn1c(SCc2nnc(-c3ccccc3)o2)nnc1-c1ccc(Br)cc1 19927668 KNQMARVQKRAJOE-UHFFFAOYSA-N 442.342 5.070 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)Nc1ccc(Cl)c(C(=O)O)c1 20150927 TWPADZDGYFGUAF-RMKNXTFCSA-N 436.678 6.257 0 40 IKAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5cccc(Cl)c5)nc4nc3C2)cc1 20632463 HBZQWNWJAUKKQN-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CN2CCC(C)CC2)n3C)c1 20893186 JLMSRZKBZSWIFX-UHFFFAOYSA-N 448.611 5.255 0 40 IKAB Clc1ccc(-c2ccc(CNCCSc3nnnn3-c3ccccc3)o2)c(Cl)c1 22108130 JGPLKWUHKVSMGK-UHFFFAOYSA-N 446.363 5.111 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)/C=C/c1cc(C)n(C2CCCCC2)c1C 25276269 KLIBPTGGAFDGJW-OUKQBFOZSA-N 436.556 5.705 0 40 IKAB Cc1c(C(=O)Nc2nc(-c3ccc(Br)o3)ns2)oc2ccc(Cl)cc12 28405115 IXKDQLKMOIYVAY-UHFFFAOYSA-N 438.690 5.521 0 40 IKAB COc1cccc(NC(=O)N(Cc2nc3n(n2)CCCCC3)c2ccc(C)c(Cl)c2)c1 28534709 NKAAHFNKQFQKIH-UHFFFAOYSA-N 439.947 5.214 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)cc2)CC1 30943264 LBFLBKIWXXZBNQ-UHFFFAOYSA-N 446.978 6.055 0 40 IKAB COc1cccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)c1 33022014 VEWIYLSUPUSZAI-UHFFFAOYSA-N 444.438 5.513 0 40 IKAB Nc1c(C(=O)C(F)(F)F)sc2nc3c(c(-c4ccco4)c12)CC/C3=C\c1ccco1 33592268 XCMXDUDFNOQQPV-MDZDMXLPSA-N 430.407 5.963 0 40 IKAB CCOC(=O)c1cnc2c(-c3ccccc3)c(COc3ccccc3)nn2c1-c1ccccc1 33864278 RRNYEUUZAZXBBA-UHFFFAOYSA-N 449.510 5.819 0 40 IKAB CC(C)[C@@H](C)/C=C/[C@@H](C)[C@H]1CC[C@H]2C3=CC[C@H](C(=O)O)[C@@](C)(CC(=O)O)[C@@H]3CC[C@@]21C 36371937 ZSRBLQKLRBWBML-WSSYYZGSSA-N 430.629 6.425 0 40 IKAB C[C@H](Nc1cccc(NC(=O)Nc2ccccc2)c1)C(=O)Nc1ccc(Cl)cc1F 36394188 MFXMPIWOVRBXKP-AWEZNQCLSA-N 426.879 5.562 0 40 IKAB O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@H]2SCc1ccc(Cl)c(Cl)c1 41104817 AVZNQKQKHSUTKX-QGZVFWFLSA-N 425.381 5.269 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1 46891406 YALJPFVRCGQXAJ-VXGBXAGGSA-N 425.278 5.149 0 40 IKAB O=C1COc2ccc(NC(=O)c3cccc(Oc4cccc(C(F)(F)F)c4)c3)cc2N1 58391360 HWHJZHOTXXKDPT-UHFFFAOYSA-N 428.366 5.081 0 40 IKAB O=C1Nc2cc(C(F)(F)F)ccc2S[C@H]1CC(=O)N1CCC[C@@H]1C1CCCCC1 69982734 PEWRCCLHVQVEFF-AEFFLSMTSA-N 426.504 5.080 0 40 IKAB COc1cc([C@@H]2SC(C)=Nc3c2c(O)nn3C2CCCCCCC2)cc(OC)c1O 71283631 JLCLWEBNEIPZQD-FQEVSTJZSA-N 431.558 5.483 0 40 IKAB Nc1c(Br)cc2nc(-c3ccccc3Br)oc2c1Br 73640065 VIEVXCVSDDMGHF-UHFFFAOYSA-N 446.924 5.365 0 40 IKAB CC[C@@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@H](CC)c2ccccc2)C1)c1ccccc1 79022862 MCDFXZLRMOZUSM-HJOGWXRNSA-N 434.624 5.509 0 40 IKAB COc1ccc(C(C)=O)cc1COC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102220310 XRYLBGSXVVUFND-KILAXVPQSA-N 435.358 5.065 0 40 IKAB Cc1cc2c(cc1C)N(CC(=O)Nc1cccc(C(C)C)c1)C(=O)CC(c1cccs1)=N2 102301407 HGRWMJHKJMQLFX-UHFFFAOYSA-N 445.588 5.985 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3cccs3)CC(O)=C2[C@H]1c1ccc(F)cc1 104006130 MHXRPKVZGJIWMS-CRICUBBOSA-N 432.520 6.457 0 40 IKAB Cn1/c(=N\C(=O)c2cc(-c3cccs3)nc3ccccc23)sc2cc(Cl)ccc21 105145130 NLENPYKIBCWGBH-YYDJUVGSSA-N 435.961 5.911 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccc(Cl)cc4)c3)C2=O)c1 214599242 GPQLYTRDLMUFGO-OEAKJJBVSA-N 449.959 6.464 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)c1ccc(OCc3ccccc3Cl)cc1)CC(C)(C)O2 218991382 HLRXYOSZKMBXQK-QHCPKHFHSA-N 435.951 6.260 0 40 IKAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cccc(Cl)c3Cl)o2)S1 222631478 ZDEOIUGNZYMWGO-KNMUDHKVSA-N 430.360 6.238 0 40 IKAB CCCCc1ccc(NC(=O)CCCN(c2cccc(Cl)c2C)S(C)(=O)=O)cc1 222667169 MQHFZQWHZNUNNZ-UHFFFAOYSA-N 437.005 5.176 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3-c3nc4ccccc4s3)N21 222675936 KGVHHYQGTAGNLT-ONGXBYRLSA-N 431.590 5.461 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 222927638 ILFPCMADFRXKPI-HZKFARACSA-N 445.647 7.248 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 223329978 HTSFRWKZDZOAOP-OAHLLOKOSA-N 439.358 5.009 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 224003063 HCIFZEUFBPRQPT-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1cccc(C)c1 224152060 IRTKPJSTXIZORP-DEOSSOPVSA-N 438.637 5.094 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C)c(Cl)c2)cc1COc1ccc(Cl)c(C)c1 224205100 RSSBKGGILKVMTK-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)CCc2ccccc2)cc1COc1ccc(Cl)c(C)c1 224211745 XRLZFFAQCZHHQF-IBGZPJMESA-N 437.967 5.987 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(F)c2)cc1 224407645 HLKJGZXNLRUMEZ-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2Br)cc1CSc1ccccc1 224651550 KCMGSVOUHCXBGL-UHFFFAOYSA-N 442.378 6.392 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1CSc1ccc(C)cc1 224664822 WGBKNECQVDGQSQ-UHFFFAOYSA-N 435.545 5.725 0 40 IKAB O=C(O)C[C@H](NC(=S)Nc1ccc2sncc2c1)c1ccc(Cl)cc1Cl 225215260 VHUJJBFESXPPOW-AWEZNQCLSA-N 426.350 5.106 0 40 IKAB COc1ccc2c(c1)[C@H](NC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(C)(C)O2 225682321 RXYCHNJBWTXEQB-MRXNPFEDSA-N 444.906 5.956 0 40 IKAB CC[C@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CCCC2)cc1C(=O)OC 225684563 HHZRBRNQQGXALB-INIZCTEOSA-N 429.944 5.754 0 40 IKAB CCOC(=O)/C=C/c1ccc(OCc2ccccc2Cl)c(I)c1 226333640 PQYOCKHETQUJEM-CSKARUKUSA-N 442.680 5.100 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(C(=S)N2CCCCC2)cc1Br 408576743 QUXOLAXHHYXBAO-UHFFFAOYSA-N 442.781 5.982 0 40 IKAB CCCCOc1ccc(Cl)cc1C(=O)Nc1ccc(Oc2ccccc2OC)cc1 408585753 HYHJQGIPWYVMPK-UHFFFAOYSA-N 425.912 6.572 0 40 IKAB Cc1cc(C)c2[nH]c(-c3ccccc3)c(/C=C(\Sc3nc4ccccc4o3)C(=O)O)c2c1 408633645 LEMUCXZXOOCGSW-HMAPJEAMSA-N 440.524 6.811 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccccc3)n(-c3ccc(Br)cc3)n2)cc1C 408696180 XJCDMHIMABDATC-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccccc2C(F)(F)F)ccc1C 409410539 NSAMUKBAIRMDFC-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB C[C@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 584906204 LNKDBUWCFZOZLD-SFHVURJKSA-N 437.539 6.413 0 40 IKAB CC(C)(C)OC(=O)O[C@@]1(c2ccccc2)C(=O)N(C(=O)OC(C)(C)C)c2ccccc21 585656284 HNUZWMFRWDNHTL-XMMPIXPASA-N 425.481 5.164 0 40 IKAB CCOC(=O)c1c(Cl)cc(-c2c(F)cccc2OCc2ccccc2)n(C(C)C)c1=O 1857794833 WREMOGNQPPJWLH-UHFFFAOYSA-N 443.902 5.644 0 40 IKAB CC(=O)[C@]12C(=O)Oc3ccc4ccccc4c3[C@H]1[C@@]2(C)C(=O)c1ccc(Br)cc1 1080894 DFIXEEFDUMGXRH-NKKJXINNSA-N 449.300 5.083 0 40 IKAB CCC(=O)N1c2ccc(-c3csc(NC(=O)c4ccccc4Cl)n3)cc2C[C@@H]1C 1366621 JIIGFWGALJWBSK-ZDUSSCGKSA-N 425.941 5.403 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C(C)C)nc2sc3c(c12)CCCC3 1377453 QZKLBWYTLQULFK-UHFFFAOYSA-N 427.595 5.433 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccc(C(=O)O)cc1)Nc1ccccc1-2 2073879 ZYFZHCMGTFQTOE-HXUWFJFHSA-N 436.537 5.412 0 40 IKAB CC1(C)c2ssc(=S)c2-c2ccccc2N1C(=O)Cc1cccc2ccccc12 2315011 UKMKCPYJXDAWIG-UHFFFAOYSA-N 433.623 7.184 0 40 IKAB CCOC(=O)c1sc2nc(CSc3ccccc3)nc(NC[C@@H]3CCCO3)c2c1C 2625616 HXGSMPKOECQWRT-HNNXBMFYSA-N 443.594 5.060 0 40 IKAB Cn1c(SCC(=O)NC(c2ccccc2)c2ccccc2)nnc1-c1ccc(Cl)cc1 2658127 CUGRLQFQSHTJLT-UHFFFAOYSA-N 448.979 5.133 0 40 IKAB O=C1CN(C(=O)c2cc(Cl)ccc2Cl)[C@H](c2ccccc2)c2cc(F)ccc2N1 2724774 DKFRQYWTXOFTOF-OAQYLSRUSA-N 429.278 5.316 0 40 IKAB Cc1c(C(=O)OC(C)C)sc(NC(=O)Cc2ccc(Cl)cc2)c1C(=O)OC(C)C 2742264 UBAQFSOJIBOLAI-UHFFFAOYSA-N 437.945 5.022 0 40 IKAB Cc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cc(C)ccc4C)c3N2)cc1 3012762 HUGDTICCNXCSBI-UXHICEINSA-N 428.458 5.721 0 40 IKAB CCC12c3ccccc3C(c3ccccc31)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 3190489 ZPMFOXYDBIWTPA-OVSCLSOGSA-N 429.519 5.801 0 40 IKAB biogenic O=C(CN1c2ccccc2Sc2ccc(Cl)cc21)Sc1cccc2cccnc12 3275677 QVIQLFOZOKTWIU-UHFFFAOYSA-N 434.973 6.810 0 40 IKAB Cc1[nH]c2ccccc2c1C(=O)CSc1nnc(-c2ccccc2F)n1C1CCCC1 3294007 LLSXMSBSFUQIET-UHFFFAOYSA-N 434.540 5.964 0 40 IKAB CC(C)c1ccc([C@H]2SC[C@H]3C(=O)N(c4ccc(Br)cc4)C(=S)N32)cc1 3330746 FOAJEJSOLTWMDN-PKOBYXMFSA-N 447.423 5.320 0 40 IKAB Cc1ccc(-n2c(SCC(=O)N(C(C)C)C(C)C)nc3cc(Cl)ccc3c2=O)cc1 3410779 CFMYQQHXUYSVPA-UHFFFAOYSA-N 444.000 5.085 0 40 IKAB O=C(NCCCc1cn(Cc2ccccc2)c2ccccc12)c1ccc(Cl)cc1Cl 3765542 KZYJDKMTWZBMPF-UHFFFAOYSA-N 437.370 6.359 0 40 IKAB Cc1cccc2cc(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c12 6443316 WDAARFIYCLPAEV-LJQANCHMSA-N 433.621 5.607 0 40 IKAB C[C@]12CCC(=O)C[C@@H]1CC[C@H]1[C@H]2CC[C@]2(C)[C@@H](OC(=O)CCN3CCCCC3)CC[C@H]12 6780235 FKAJEUFWOXAABF-AZRZUIITSA-N 429.645 5.386 0 40 IKAB COc1ccc([C@@H]2NC(=O)c3sc4nc5c(c(-c6ccccc6)c4c3N2)CCC5)cc1 8386907 RZZKGSRCGOHNOK-QHCPKHFHSA-N 427.529 5.315 0 40 IKAB COc1ccc(-c2cs/c(=N\c3ccc(Cl)cc3)n2-c2ccc(Cl)cc2)cc1 8399438 ZOUYIJZJCWVTJT-LVWGJNHUSA-N 427.356 6.754 0 40 IKAB O=C1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CN1c1ccccc1F 8871480 JOHXASZGSVPKIQ-HNNXBMFYSA-N 437.877 5.537 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)cc2)CC1 9063399 NREOWXWRDPVMDN-UHFFFAOYSA-N 431.285 5.863 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccccc1C 9250209 QZYOXLUQFWLGEX-UHFFFAOYSA-N 449.576 5.389 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2nnc(C3CC3)n2C2CC2)c2ccccc2)cc1Cl 9478570 MEFHCRRQKYQKLS-FQEVSTJZSA-N 438.984 5.924 0 40 IKAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2Cc2ccco2)ccc1OCc1cccs1 9550087 AMWBRSJJZBDQJT-XMMPIXPASA-N 446.528 5.695 0 40 IKAB CCOc1ccc(C(C)=O)cc1CSc1nc2scc(-c3ccccc3)c2c(=O)[nH]1 9633915 HJEPFRJOPGSOAM-UHFFFAOYSA-N 436.558 5.545 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(Cl)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675927 SSZUSJJCMVWMRQ-UHFFFAOYSA-N 427.891 5.974 0 40 IKAB COc1ccccc1CNC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 9885038 UZCVPYUXEDZLHY-UHFFFAOYSA-N 441.603 5.284 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Sc1nnc(-c2ccoc2C)o1)c1ccccc1 9949608 QFPLWLJILPZAFC-HXUWFJFHSA-N 435.505 5.427 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120098 PIPYVSNUCKPQFV-NTCAYCPXSA-N 438.458 6.470 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)c1ccc(C)c(NS(C)(=O)=O)c1 10361471 NZTZKYXGTKWNHG-UHFFFAOYSA-N 440.590 5.220 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)C(c4ccccc4)c4ccccc4)n3)oc12 10748080 RWSVGWXRLWTEEG-UHFFFAOYSA-N 440.524 6.336 0 40 IKAB O[C@H]([C@@H](c1ccccc1)c1nc2ccccc2n1Cc1ccccc1)C(Cl)(Cl)Cl 12376626 OVYMARCHHCDVLL-NHCUHLMSSA-N 445.777 5.948 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)C(=O)NCC23CC4CC(CC(C4)C2)C3)c2ccccc21 12428088 XDSVFSGTYZHWRE-UHFFFAOYSA-N 426.560 5.361 0 40 IKAB CN(Cn1nc(-c2cccnc2)n(C2CC2)c1=S)[C@@H](c1ccccc1)c1ccc(F)cc1 12733778 PQRPMCNSBHXZJY-QHCPKHFHSA-N 445.567 5.629 0 40 IKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@H]1CCCN(C(=O)c2cccs2)C1 12891389 MEAOYFXKSHYNDC-GBXCKJPGSA-N 444.556 5.252 0 40 IKAB CCn1c(S[C@H](C(=O)Nc2cccc(OC)c2)c2ccccc2)nnc1-c1ccco1 13165375 RJQDORNHXROCNX-FQEVSTJZSA-N 434.521 5.039 0 40 IKAB Cc1ccc2c(c1)cc(CN(C(=S)Nc1cccc(C)c1C)C1CCCC1)c1nnnn12 13568277 SCEYBPFJDDGWJR-UHFFFAOYSA-N 444.608 5.344 0 40 IKAB COc1ccc(-n2c(S[C@H](C)C(=O)c3cc(C)c(C)cc3C)nc3ccccc32)cc1 14357171 YZKUMUHQWMSCDF-LJQANCHMSA-N 430.573 6.323 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)N1N=C2/C(=C/c3ccco3)CCC[C@H]2[C@H]1c1ccco1 15905960 CJQKVTCNZNGYMR-AAOOWBFOSA-N 432.907 6.362 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1cccc2c(Br)cccc12 16431546 ISLLSCGRZUXLGZ-UHFFFAOYSA-N 429.528 6.815 0 40 IKAB CCOc1cc([C@@H]2NC(=O)c3c(sc4c3CC[C@H](C(C)(C)C)C4)N2)cc(Cl)c1O 17085953 KIGVNDDVIMLPAK-HXPMCKFVSA-N 434.989 5.511 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)NC(=S)Nc3ccc(Cl)cc3)o2)cc1Cl 17097405 JBYQPRPXPYHQBH-PKNBQFBNSA-N 431.344 6.088 0 40 IKAB Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)N[C@H](C)c3ccc(F)cc3)ccc2C)c1 20492407 WHXIIJHNJBGHEW-GOSISDBHSA-N 440.540 5.043 0 40 IKAB CC1=C(C(=O)Nc2ccc(Cl)cc2)[C@@H](c2cccc(Cl)c2)n2c(nc3ccccc32)N1 20797466 QGQPONCMTRUSMV-JOCHJYFZSA-N 449.341 6.271 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1csc(NCc2ccccc2)n1 22375408 SZAFXSDODIEQBD-DLBZAZTESA-N 437.565 5.453 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCOCC4)cc3)cc(-c3ccccc3)c2c1 23074583 ALVWFVGCJVTZEZ-UHFFFAOYSA-N 437.543 5.148 0 40 IKAB CCc1ccccc1N(C(C)=O)c1nc(CSc2nnc(-c3cccs3)o2)cs1 25592463 URVGWQYNYBOGJE-UHFFFAOYSA-N 442.591 5.794 0 40 IKAB Cc1ccc2c(=O)cc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N3CCCC3)oc2c1C 28290370 CTIKNICYOVLSOE-QHCPKHFHSA-N 446.591 5.274 0 40 IKAB Cc1ccc(C(=O)Nc2nc(CN3CCC(C)CC3)cs2)cc1NC(=O)c1ccccc1 29258442 BQTLFXWRTNMMPA-UHFFFAOYSA-N 448.592 5.188 0 40 IKAB COc1ccc(OCCn2c(COc3ccc(C(C)(C)C)cc3)nc3ccccc32)cc1 31903429 LTZPFOBTKUKROA-UHFFFAOYSA-N 430.548 6.000 0 40 IKAB CC[S@@](=O)c1ccccc1C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1 32904511 QGAUVWBXECQQIF-LJAQVGFWSA-N 438.496 5.133 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C)cc(C)c3)ccc2Cl)cc1 33625164 LRYSTUYIZCMARZ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB O=C(NC(=S)Nc1ccc2ccccc2c1)c1sc2cc(Cl)ccc2c1Cl 33714539 ZALNXHKBTSZLED-UHFFFAOYSA-N 431.369 6.488 0 40 IKAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(CNc2nc(=S)[nH]c3ccccc23)cc1 34858593 JLFMHBKYLWAKFZ-GOSISDBHSA-N 442.588 5.656 0 40 IKAB COc1cc2c(cc1OC)C(Cc1ccc(NC(=O)Nc3ccccc3Cl)cc1)=NCC2 35623015 NDUFFHQXIVFVJA-UHFFFAOYSA-N 449.938 5.589 0 40 IKAB C[C@H]1CCCN(c2cc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)ncn2)C1 49006691 LZIYVLBYASCMAD-LBPRGKRZSA-N 444.910 5.116 0 40 IKAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 57333472 WSLQJKXEHRTFSR-UHFFFAOYSA-N 429.863 5.733 0 40 IKAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1ccccc1C(F)(F)F 72242797 UVSTVPWWNPAILW-UHFFFAOYSA-N 439.393 5.440 0 40 IKAB C[C@H]1CCN(C(=O)C2CCN(C(=O)c3cccc4ccccc34)CC2)[C@@H](c2ccco2)C1 72304659 CWYLHHPSQUCTAH-YADARESESA-N 430.548 5.285 0 40 IKAB COc1ccc(C(C)=O)cc1CN(Cc1ccccc1)[C@@H](C)c1cccc(NC(C)=O)c1 95947040 CEYUUDYGTCYEHX-IBGZPJMESA-N 430.548 5.620 0 40 IKAB Cc1ccc(NC(=O)c2cc3c(c4ccccc4n3CC3CC3)n2-c2ncccn2)cc1F 96037438 YCPIFCUQKZOGAT-UHFFFAOYSA-N 439.494 5.485 0 40 IKAB COc1ccc(NC(=O)Nc2ccccc2Cc2nc(-c3cccs3)no2)cc1OC 96119762 SYYSFBDFZJGKQR-UHFFFAOYSA-N 436.493 5.050 0 40 IKAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3ccccc3F)sc2c1 107679004 OJSFCSYGQUYJMP-HZPDHXFCSA-N 426.538 5.407 0 40 IKAB CC[C@H](C)n1cc(/C=C2/SC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c2ccccc21 107728431 FLHZKUVBANECSU-HXJASHHUSA-N 438.505 5.228 0 40 IKAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)Nc1ccc(CSc2ccccc2)cc1 223013213 GVDSVHAPGQBWFF-HSZRJFAPSA-N 425.981 6.737 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223142096 XHTWCCMRTSSZKY-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB COc1ccc(/C=C(/C(=O)NCCOc2ccc(C(C)(C)C)cc2)c2ccccc2)cc1 223428665 JXQAMLVIDSDSGZ-LHLOQNFPSA-N 429.560 5.729 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C2CCCCC2)cc1 223429941 QGTQECSRXBSGOQ-LOSJGSFVSA-N 446.620 5.570 0 40 IKAB Cc1ccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NC2CCCC2)cc1 223814306 IUMCCKUGHBNXMR-QGZVFWFLSA-N 447.406 5.320 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1 223903152 UFFITUHGZLSLQC-MRXNPFEDSA-N 433.379 5.012 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(COc3cccc(Cl)c3)c2)c1 224147760 IDLKGJIFRCIMTJ-UHFFFAOYSA-N 427.884 5.197 0 40 IKAB CCOc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1 224181485 NCWCEZDZOXYLKR-DQEYMECFSA-N 441.556 5.917 0 40 IKAB CSc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)cc1NC(=O)C(C)C 224220526 HXRJRTPCGAUOIK-INIZCTEOSA-N 448.654 5.340 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1Cl)[C@H](Cc1ccccc1)C(=O)NC(C)(C)C 224551575 MTGMDFXFHBKPNB-OAQYLSRUSA-N 449.422 5.648 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 224667096 ILLJJLKWKKJQQW-NRFANRHFSA-N 433.017 5.012 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 224812535 KZWDXYOKCLUKHF-QFIPXVFZSA-N 449.422 5.506 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 225282256 VLOTZOKIIQLVGH-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CC1(C)C[C@@H](NC(=S)Nc2ccc(Br)c(Cl)c2)c2ccccc2O1 225577337 SUVYYJKGPCJQKL-OAHLLOKOSA-N 425.779 5.691 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3cccc(C)c3)CCCCC2)ccc1OCC(C)C 225758758 OWIFLNOMBRUAFP-UHFFFAOYSA-N 437.580 6.047 0 40 IKAB O=C(CCc1nc(-c2ccc(-c3ccccc3)cc2)no1)Nc1ccccc1Br 225831565 FAQIIDXQLNOAOB-UHFFFAOYSA-N 448.320 5.737 0 40 IKAB O=C(c1ccc(NC(=S)NC2(c3ccccc3Cl)CCCC2)cc1)N1CCCCC1 225870894 YBRXWJSMYSNUMU-UHFFFAOYSA-N 442.028 5.722 0 40 IKAB Cc1cc(OCc2nc(N3CCC[C@H]3c3ccccc3)ncc2C(=O)O)cc(C)c1Cl 257280671 OLVUMYMLQKUQSD-NRFANRHFSA-N 437.927 5.366 0 40 IKAB O=C(N1CCC(Cc2cccc3ncccc23)CC1)C1(Cc2ccccc2F)CCOCC1 257296092 RBERSVPMQREKDT-UHFFFAOYSA-N 446.566 5.195 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cccc(C)n2)CC1 257320513 VXEAUQIUUHBGHL-UHFFFAOYSA-N 445.582 5.157 0 40 IKAB Cc1cccc(NC(=O)COc2cccc(CNc3ccc(Br)cc3C)c2)c1 408604750 FQWZYPUOXMFMPX-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB O=C(Nc1ccc(Br)c(Cl)c1)c1ccc(-c2ccc(F)c(Cl)c2)o1 408616912 ARPOHAALMLGSKV-UHFFFAOYSA-N 429.072 6.407 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cccc(C)c3C)n2)cc1 408693803 DZVUGWUDWTZWQN-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)c(C)c1 408699379 TXSHCBNMFMDSFR-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@@]1(C)C(=O)[C@@]2(C)C(c2ccccc2)=C1c1ccccc1 408719141 HKUMCPGUSVJXBT-RCYOKLDESA-N 447.534 5.321 0 40 IKAB C[C@@H]1CCCC[C@@H]1N1[C](Nc2ccccc2)S/C(=C\c2ccc(Cl)cc2Cl)C1=O 408804791 BJXVEQOMWBPDLH-SMWIAKNYSA-N 446.423 7.047 0 40 IKAB CC[C@@H](C)Oc1c(Br)cc(/C=C2/SC(=O)N([C@H](C)CC)C2=O)cc1OC 409010112 DJGJVWYWKOYTCY-DYBVGFEPSA-N 442.375 5.470 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc3ccccc3c2)cc1C 409118317 PVNKKYJOQNUHFY-UHFFFAOYSA-N 435.596 6.920 0 40 IKAB Cc1ccc(CSCc2nnc(SCC(=O)Nc3ccccc3C(C)C)n2C)cc1 409360109 KVKMYHCHQNIUIU-UHFFFAOYSA-N 440.638 5.411 0 40 IKAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643588310 CUTXMOXVSNXVJO-KAYWLYCHSA-N 444.663 6.812 0 40 IKAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1cccc(NC(=O)c2ccccc2)c1 674849176 STRUNKSLGMXKCT-HSZRJFAPSA-N 428.536 5.201 0 40 IKAB Cc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 651508 QLHUSOZUPUCYAY-BJKOFHAPSA-N 426.907 5.453 0 40 IKAB Cc1cc(C)cc(OCc2nnc(SCC(=O)N(c3ccccc3)c3ccccc3)o2)c1 876032 XUZPWHMAJUWUPU-UHFFFAOYSA-N 445.544 5.722 0 40 IKAB C[C@@H]1CCc2c(sc3nc(C4CC4)n4c(SCC(=O)Nc5ccccc5)nnc4c23)C1 1339597 LRVWBIUFEFVPMZ-CYBMUJFWSA-N 449.605 5.072 0 40 IKAB O=C(Nc1ccccc1)N(Cc1ccc(Br)cc1)c1nnc2n1CCCCC2 1468169 NUXNMAZVXXGYGJ-UHFFFAOYSA-N 440.345 5.006 0 40 IKAB Cc1ccc(C)c(OCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 1834212 PXKCEVMVTPGSBV-UHFFFAOYSA-N 432.951 6.111 0 40 IKAB COC(=O)c1c(NC(=O)CCCc2ccccc2)sc2c1CC[C@H](c1ccccc1)C2 2088971 CDNLEYLXQKABOY-FQEVSTJZSA-N 433.573 5.769 0 40 IKAB CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccc(F)cc1 2240170 LOUWXTRILWQUPJ-UHFFFAOYSA-N 431.579 6.639 0 40 IKAB CCCCCCOC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2386652 BRARSXZFMNBSCZ-UHFFFAOYSA-N 440.906 5.686 0 40 IKAB COc1ccc2nc(NC(=O)c3ccccc3-c3ccc(C(F)(F)F)cc3)sc2c1 2626697 GZEYBGASVFGQEF-UHFFFAOYSA-N 428.435 6.243 0 40 IKAB C[C@@H]1CCc2c(C(=O)OCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)csc2C1 2639845 KZQWWCPMOJEDMF-SNVBAGLBSA-N 431.863 5.341 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(Nc4ccccc4F)s3)cs2)cc1 2651712 NNXLYGLFCOVXQZ-UHFFFAOYSA-N 429.571 6.222 0 40 IKAB Clc1c(-c2nnc(SCCc3ccccc3)n2-c2ccccc2)sc2ccccc12 2690530 QQIJBTITSFBBOD-UHFFFAOYSA-N 448.016 7.137 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)c3ccc(N4C(=O)c5ccccc5C4=O)cc3)cc2)cc1 3012165 HSRFFTWXDYLKGR-UHFFFAOYSA-N 448.478 5.840 0 40 IKAB Cc1nn(-c2ccccc2Cl)c2sc(C(=O)OCC(=O)c3ccc(F)cc3)cc12 3234697 IMFGSCRYZXFERO-UHFFFAOYSA-N 428.872 5.228 0 40 IKAB CC(C)N(Cc1ccccc1)C(=O)CSc1nnc(-c2ccccc2Br)o1 3280339 XLWXGTUHGBNBGB-UHFFFAOYSA-N 446.370 5.028 0 40 IKAB CCCc1nc2ccccc2c(C(=O)OCC(=O)Nc2cccc(C(F)(F)F)c2)c1CC 3290931 CZJCYCLVYMAUKD-UHFFFAOYSA-N 444.453 5.564 0 40 IKAB Clc1ccccc1-c1nn2cc(-c3ccc(Br)cc3)c3c2n1CCCC3 3293450 AIOIBBGQBHXENE-UHFFFAOYSA-N 426.745 6.222 0 40 IKAB Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1C[C@@H]1CCCO1 3297218 WDJLFVZDYYDGOO-KRWDZBQOSA-N 445.635 5.236 0 40 IKAB Cc1ccccc1CN(C)C(=O)c1cc(Cl)cc(Cl)c1I 3336666 GNDCOUODEDNHLK-UHFFFAOYSA-N 434.104 5.179 0 40 IKAB O=C(OCC(=O)c1ccc2c(c1)-c1ccccc1C2)/C(=C/c1cccs1)c1cccs1 3359731 IMCSOMYCMLAJDV-HZHRSRAPSA-N 442.561 6.348 0 40 IKAB CCCCCCN(CCCCCC)C[C@@H](O)c1ccc(Br)c2ccccc12 5523961 URXZYOIAWUNNLJ-XMMPIXPASA-N 434.462 7.098 0 40 IKAB O=C1C[C@H](c2ccc(-c3ccccc3)cc2)c2cc(Br)c3ccccc3c2N1 8443979 CXWNEZSOOFKCRD-OAQYLSRUSA-N 428.329 6.743 0 40 IKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCOc2ccc(Cl)cc2)cc1 8779010 RVSLUNJWWSYSIZ-UHFFFAOYSA-N 434.967 6.645 0 40 IKAB O=C(C[C@]1(O)C(=O)N(CCCc2ccccc2)c2ccccc21)c1ccc2ccccc2c1 8922430 GUALZOYUSUYMMQ-GDLZYMKVSA-N 435.523 5.280 0 40 IKAB CC1(C)[C@H](C=C(Cl)Cl)[C@@H]1C(=O)n1c(SCc2ccc(F)cc2)nc2ccccc21 9046688 HBWKGXZPMGOLME-DNVCBOLYSA-N 449.378 6.699 0 40 IKAB O=C(CCc1ccc(-c2ccccc2F)o1)N1CCC(c2nc3ccccc3s2)CC1 9253092 AJJJFBUZRAIDOW-UHFFFAOYSA-N 434.536 6.034 0 40 IKAB O=C(C1CC1)N1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccc4ccccc4c3)=NN12 9308007 IXXVOBDQVAYGAH-RUZDIDTESA-N 437.543 5.112 0 40 IKAB COc1cc(Br)cc2c1OC1(CCCC1)N1N=C(c3ccc(Cl)cc3)C[C@H]21 9345165 XPRZKCCNDBMIRK-GOSISDBHSA-N 447.760 5.925 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2cccc(F)c2)N1c1nc2ccccc2s1 9510563 ZGBMKTLCPDWCLX-HXUWFJFHSA-N 428.444 5.292 0 40 IKAB CCCN(C(=O)c1ccc2c(c1)OCO2)c1nc(-c2ccc(Br)cc2)cs1 9606438 YSNIFNDUAKECEQ-UHFFFAOYSA-N 445.338 5.358 0 40 IKAB O=C(NC1CC1)c1cccc(NC(=O)c2sc(-c3ccccc3)nc2-c2ccccc2)c1 9684433 PXTXTFWESLDOHG-UHFFFAOYSA-N 439.540 5.622 0 40 IKAB Cc1cc(C(=O)CSc2nnc(NCc3ccco3)s2)c(C)n1Cc1cccs1 9726252 SUOKTTSRXLUCBI-UHFFFAOYSA-N 444.607 5.246 0 40 IKAB Cc1cccc(OCCOc2ccc(-c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)cc2)c1 9762215 AOWUQYMJPFGRAO-KRWDZBQOSA-N 446.572 5.543 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(-c2ccccc2)c2ccccc12)c1ccc(F)cc1 9782883 INHFTHPTMODTNQ-DLBZAZTESA-N 431.536 5.794 0 40 IKAB CN(CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)C(=O)N[C@H](c1ccccc1)C1CC1 9875398 AOQDLXYLBQUIPU-LJQANCHMSA-N 439.865 5.090 0 40 IKAB Cc1cc2nn(-c3ccc(Cl)cc3)nc2cc1NC(=O)COc1ccc(C(C)(C)C)cc1 9906598 VHCXLAXLIMVVTQ-UHFFFAOYSA-N 448.954 5.697 0 40 IKAB COc1ccc(Cc2cnc(NC(=O)CCc3ccc(-c4ccc(Cl)cc4)o3)o2)cc1 11689982 GOQNGZJIWZKJSR-UHFFFAOYSA-N 436.895 5.759 0 40 IKAB O=Cc1cc(Br)cc(Br)c1OC(=O)/C=C/c1ccc(Cl)cc1 11692811 QLEUQIVVMZZREQ-ZZXKWVIFSA-N 444.506 5.296 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccco4)=NN32)c1 12194418 FXSYKZIRKOHJLA-YLJYHZDGSA-N 429.701 5.938 0 40 IKAB Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4ccc5oc(C)cc5c4)C3)cc2n1 12257782 HKTTVLWHPCRIQM-INIZCTEOSA-N 442.441 5.131 0 40 IKAB COc1ccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c(OC)c1 12587776 GSDWYTKKKRCBHS-UHFFFAOYSA-N 430.554 6.512 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccc(C)cc2C)c1 13025920 IENZRDKWOODXBJ-VWLOTQADSA-N 446.547 5.352 0 40 IKAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(=O)c1ccc(OC(F)F)cc1)CC2 13041215 XNAUXACLPKOTCF-HSZRJFAPSA-N 439.458 5.093 0 40 IKAB O=c1c2ccccc2nc(/C=C/c2ccc(Cl)cc2Cl)n1-c1ccc(Cl)cc1 13303760 AHGVOUCXANYSTB-WUXMJOGZSA-N 427.718 6.516 0 40 IKAB COc1ccc2[nH]cc(CCN[C@@H]3CCN(Cc4ccccc4)C[C@@H]3c3ccccc3)c2c1 13563990 LFBLAPKRGFZMMM-XRKRLSELSA-N 439.603 5.367 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccc2c(c1)OCCO2 14272579 FRVHBTWSHQZXDH-UHFFFAOYSA-N 448.478 6.185 0 40 IKAB CN1CCCN(c2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)CC1 14358897 JFFCBCIKYQYZAV-UHFFFAOYSA-N 445.057 5.268 0 40 IKAB CC(C)c1ccccc1NC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O 14397105 LBLWYHYTDYTMNV-UHFFFAOYSA-N 443.396 5.302 0 40 IKAB CC1(C)[C@@H](C(=O)Oc2cccc3cccnc23)[C@@H]1C=C(Br)Br 16577178 RTTRUPRDIFRKIG-SMDDNHRTSA-N 425.120 5.044 0 40 IKAB Cc1ccc(C)c2sc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)nc12 17094887 YFJNMXXHOYBYOC-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC(c2nc(Nc3ccccc3)cc(-c3ccncc3)n2)CC1 19373322 SUJFOHVQZLRLHB-JOCHJYFZSA-N 439.563 5.345 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1 20143655 LICKWCDRJCNIHL-UHFFFAOYSA-N 437.451 5.465 0 40 IKAB O=C(/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)Nc1ccc(C(=O)O)c(Cl)c1 20151114 MXOGUYZXSUHFLP-ZZXKWVIFSA-N 436.678 6.257 0 40 IKAB O=C(Nc1cccc(Br)c1)c1cccnc1Nc1ccc(Cl)c(Cl)c1 22072626 DSUFMKDXOYVGTB-UHFFFAOYSA-N 437.124 6.147 0 40 IKAB COc1ccccc1-c1nc(CSc2nc(C)c(Cc3ccccc3)c(O)n2)c(C)o1 23126199 CZFZLMBBAFRNHB-UHFFFAOYSA-N 433.533 5.346 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C(C)C)s3)[C@@H]2c2cccs2)cc1 25323894 ZTZRDJVYJOUDGD-QFBILLFUSA-N 440.594 5.154 0 40 IKAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N(Cc1cccc2ccccc12)c1ccccn1 27990408 CIKWCUBAUYXNPP-UHFFFAOYSA-N 440.886 5.842 0 40 IKAB O=C(Cc1ccccc1Cl)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 32999887 JCUPAFYGYCJCIY-UHFFFAOYSA-N 432.829 5.792 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)c(C)c3)c2)cc1 33652124 XZSKLPFMJJPXRQ-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccccc4)cc3)C(O)=NC2=S)cc1 35151796 VLKBTCIMOGTVJS-CJLVFECKSA-N 444.581 6.072 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4ccc(C(C)(C)C)cc4)Oc4ccccc4[C@H]3C2)cc1 36352195 BZXMTIAOAFOSFL-VPUSJEBWSA-N 426.560 6.625 0 40 IKAB CCOc1ccc(Nc2oc(-c3cccs3)nc2S(=O)(=O)c2ccc(C)cc2)cc1 39404198 UPZQEGSSTTWSQJ-UHFFFAOYSA-N 440.546 5.687 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 44846803 ILDJQQMKDMYRND-RFZIMGSGSA-N 439.599 7.104 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C(F)(F)F)o2)cc1 48513644 AZABRHQCUMFDBP-UHFFFAOYSA-N 427.835 5.448 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1cc2c3c(c1)[C@H]1CCC[C@@H]1CN3C[C@H]1CCC[C@H]21 55184966 JCMRXPLXUHWJKN-PWGHIRGTSA-N 436.599 6.622 0 40 IKAB O[C@H]1CCCc2c1n(CCN(Cc1ccccc1)Cc1ccccc1)c1ccc(Cl)cc21 57049732 WJQLGSFNVVNNMH-MHZLTWQESA-N 445.006 6.367 0 40 IKAB Cc1cc(C)cc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nc3ccsc3c2=O)c1 57488285 TYCODWFUMHTFDN-UHFFFAOYSA-N 449.601 5.412 0 40 IKAB S=c1oc([C@H]2COc3ccccc3O2)nn1CN(Cc1ccccc1)Cc1ccccc1 58164438 OOJDUGLMCNMSSU-HSZRJFAPSA-N 445.544 5.378 0 40 IKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(N2C(=O)CCCC2=O)cc1 71927130 ARAHQTGAVSXTBN-UHFFFAOYSA-N 434.517 5.110 0 40 IKAB O=C(Nc1cccc(CCC(F)(F)F)c1)c1ccc(CS(=O)(=O)c2ccccc2)o1 79057111 OKDWJUUQJMWCKO-UHFFFAOYSA-N 437.439 5.001 0 40 IKAB Cc1ccc(N2C(=O)/C(=C/c3ccc4c(c3)OCO4)N=C2S[C@H]2CCCCCC2=O)cc1 96993817 ADYKTVQDGLEXTO-FMTUWFKASA-N 448.544 5.102 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3cc(C)cc(C)c3)OC2=O)cs1)c1cccc(C)c1C 97987517 SBHFRSNVLIAXST-CIAFOILYSA-N 445.544 5.406 0 40 IKAB COc1ccc(-c2noc([C@H]3CCCN3C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1OC 98212267 WLXBUNPSHYGSDG-LJQANCHMSA-N 435.524 5.029 0 40 IKAB Cc1ccc(C(=O)[C@]2(C)[C@H]3c4c(ccc5ccccc45)OC(=O)[C@@]32C(=O)c2ccco2)cc1 100169238 IZLCZMCKMFJVOT-UIUQJESISA-N 436.463 5.516 0 40 IKAB CCCCCOc1ccccc1NC(=O)O[C@H]1[C@@H]2CC[C@@H]([C@@H]1CN(CC)CC)C(C)(C)C2 101011869 FFYFIZPYPAOCAI-KXEAFHOWSA-N 444.660 6.587 0 40 IKAB COc1cc(C(=O)Nc2sc3ccccc3c(=O)c2-c2ccccc2)cc(OC)c1OC 101364016 ZMWOCRKYSFNIBT-UHFFFAOYSA-N 447.512 5.207 0 40 IKAB Cc1cccc(C)c1N1C(=O)[C@@H]2ON(c3ccccc3)[C@@H](c3ccc(Cl)cc3)[C@H]2C1=O 102730252 DNRSHPPENRRNNQ-AKIFATBCSA-N 432.907 5.008 0 40 IKAB O=C1S/C(=C\c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Br)cc1 106724222 IQJVCVSIHRUREN-CHHVJCJISA-N 443.149 5.992 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1Cl 107042917 JUVOJQCRRPXIAT-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB C[C@H]1CC[C@@]2(OC1)O[C@H]1C[C@H]3[C@@H]4C[C@H](C)[C@@]5(O)C[C@@H](O)CC[C@]5(C)[C@H]4CC[C@]3(C)[C@H]1[C@@H]2C 118913590 KEOLCBLQBIWDBI-HKFBTRRFSA-N 446.672 5.155 0 40 IKAB C[C@H](CCC1=NC(C)(C)CO1)[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 118934405 BVDWBDNAWXKGOG-WSMYQWEPSA-N 445.688 5.601 0 40 IKAB CC(=O)N[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3CC[C@@H]2[C@@H](C)CCCC(C)C)C1 118935425 NIJKPJNXBCARQP-VEEZVJAOSA-N 427.717 7.533 0 40 IKAB CC(C)c1ccc(NC(=O)CC(C)(C)CC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 199410922 UHEQILFCUBNMCR-UHFFFAOYSA-N 444.575 6.986 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1F 222704590 XTGDJWNEPLHXFA-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB Cc1ccc(SCCC(=O)N(Cc2cccc(C)c2)[C@H](C)C(=O)NC(C)(C)C)cc1 222715394 OFSKXCSSKDOFCS-HXUWFJFHSA-N 426.626 5.118 0 40 IKAB COc1ccc(/C=C(/C(=O)Nc2nnc(SCC(C)C)s2)c2ccccc2)cc1 223716709 IYNRLIUKTUFXBS-CPNJWEJPSA-N 425.579 5.474 0 40 IKAB Cc1cccc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2Cl)c1 224020466 UNVDWNLEONHWHX-UHFFFAOYSA-N 449.359 5.033 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224135860 YVMLFYSWSUTIET-UHFFFAOYSA-N 436.577 5.197 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1c1ccccc1 224158248 MVMAJNLYHKQXGQ-XZOQPEGZSA-N 430.964 5.703 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2Cc2cccnc2)cc1C 224262491 FKCFJCANINWFKQ-LOSJGSFVSA-N 439.588 5.120 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224315822 KQAGZPPSFQMFKN-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1ccccc1 224362086 GYEAZGBCENNFIW-UHFFFAOYSA-N 426.310 5.679 0 40 IKAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)ccc1OCc1ccccc1 224506802 BAOVLYLHQYZQNH-UHFFFAOYSA-N 434.967 5.445 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc3ccccc23)cc1COc1ccc(Cl)c(C)c1 224542367 UHXCVIJSSBULFG-UHFFFAOYSA-N 445.946 7.032 0 40 IKAB Cc1cccc(N(CCCC(=O)Nc2ccc3c(c2)oc2ccccc23)S(C)(=O)=O)c1 224627214 RSLAGTYLCNHDPQ-UHFFFAOYSA-N 436.533 5.079 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC)c(CSc3ccc(C)cc3)c2)cc1 224667383 SESNJTODUQIFOI-UHFFFAOYSA-N 433.617 7.281 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1cccc(Cl)c1)C(=O)Cc1ccccc1Cl 224671121 NHKFXQCKYQBPKT-INIZCTEOSA-N 433.379 5.012 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2cccc(I)c2)c2ccccc2O1 224969671 KCCGYYQIMZUOER-QGZVFWFLSA-N 435.305 5.104 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)NCc1ccc(OCc2ccc(F)cc2)cc1 225358830 PQNBOGXYWUYMGB-UHFFFAOYSA-N 432.322 5.961 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)COc1ccc(C(C)C)cc1 225547400 VPUCNPIYBWWEBE-SQJMNOBHSA-N 438.612 5.219 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(Cl)cc1Cl 225554510 QTOGTCIQTBBHNW-AWEZNQCLSA-N 441.786 5.131 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 225585189 NTBFIXWSODOLLG-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CCOC(=O)c1cccc(NC(=S)NCCCSCc2ccc(Cl)cc2)c1C 225610196 LNAJGPOWVGNAEJ-UHFFFAOYSA-N 437.030 5.435 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)COc1ccccc1C(C)C 225666002 BKQYHLQMSSXVCR-CVDCTZTESA-N 442.575 5.050 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)no1)N1CCCC[C@@H]1c1ncc(Cc2ccccc2)o1 257208736 BNKRMWSYIRKGDX-JOCHJYFZSA-N 447.922 5.941 0 40 IKAB Cc1ccc(Cc2cc(C)nc([C@H]3CN(Cc4c(C)nn(C(C)C)c4C)CCO3)c2)cc1 257267307 MGSADMUAVSYVRG-HHHXNRCGSA-N 432.612 5.257 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Br)cc3)n2)c1 408699028 QYPJHEPAWZUBJB-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)cc(C)c3)cc2-c2cccc3ccccc23)cc1 408725903 QVIWHXKVILNENS-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)c(Cl)c3)c(Cl)c2)N(C)C1=S 409045932 QCDDKQCUYUAFEH-SXGWCWSVSA-N 441.767 5.255 0 40 IKAB COc1ccccc1N1C(=O)S/C(=C\c2ccc(OCc3cccc(C)c3)cc2)C1=O 409055809 BDPJUWOYGZOVMA-HAHDFKILSA-N 431.513 5.824 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccc(C)cc2)oc(-c2ccccc2)c1-c1ccccc1 409111107 BAPQPNIEJRTELO-UHFFFAOYSA-N 425.484 6.351 0 40 IKAB CO[C@H](CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)c1ccccc1Cl 585312833 NWSHQYSLMSYMMK-OAHLLOKOSA-N 425.756 5.495 0 40 IKAB O=C(c1ccccc1)c1cccc(-c2cccc(-c3cccc(C(=O)c4ccccc4)c3)c2)c1 601014573 YSTLULYDFJHSKS-UHFFFAOYSA-N 438.526 7.483 0 40 IKAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(=O)Nc2cccc(Cl)c2C)c1C 868944 LCYBVVXVOVOTSC-UHFFFAOYSA-N 448.953 5.371 0 40 IKAB COc1ccc(C(=O)N2c3cc(OC)ccc3-c3c(ssc3=S)C2(C)C)cc1 898789 PVTMPKWSDFQDER-UHFFFAOYSA-N 429.588 6.119 0 40 IKAB Cc1sc2nc(SCC(=O)Nc3ccccc3)n(CCc3ccccc3)c(=O)c2c1C 924688 XPZXWNPQUYGGCN-UHFFFAOYSA-N 449.601 5.048 0 40 IKAB COc1cc(C(=O)N2CC[C@]3(Cl)CCCC[C@@H]3[C@@H]2c2ccccc2)cc(OC)c1OC 1236020 LRWSGTAEMDTYPP-RZTXVSJASA-N 443.971 5.467 0 40 IKAB Cc1ccccc1NC(=O)CSc1nnc2c3c4c(sc3nc(C3CC3)n12)CCCC4 1339525 LPLJEFWQKLWOKH-UHFFFAOYSA-N 449.605 5.134 0 40 IKAB COc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 1353148 MACSNKPROIFAFP-UHFFFAOYSA-N 427.504 5.079 0 40 IKAB Cn1nc(C(F)(F)F)c(COC(=O)c2ccc(Cl)cc2)c1Oc1ccc(Cl)cc1 1391438 AQISITOLJNJMPQ-UHFFFAOYSA-N 445.224 5.895 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2F)n1 2414125 XDJRQZMZOUSGSP-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nnc(CC(C)C)s1)C3=O 2434744 PVSAMPRIZAZPKO-FQEVSTJZSA-N 449.507 5.040 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccccc1)c1ccccc1 2621267 IXVCGAJITPXAPP-UHFFFAOYSA-N 449.963 5.534 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1ncnc2sc(-c3ccccc3)cc12 2639846 OMVVIRLFJDYMSF-UHFFFAOYSA-N 447.629 6.278 0 40 IKAB CCc1ccc(C(=O)CSc2nnc(SCC(=O)c3ccc(CC)cc3)s2)cc1 2648038 TZPHGSOETPNUJQ-UHFFFAOYSA-N 442.631 5.613 0 40 IKAB CCOc1ccc(-c2nnc3c4cc(OC)ccc4n(Cc4ccc(OC)cc4)cc2-3)cc1 2690341 YBNBVOKQDSCHAJ-UHFFFAOYSA-N 439.515 5.667 0 40 IKAB COc1ccc(-c2nn(-c3ccc(F)cc3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC 2733419 BGJRFEMAVWVZPN-UHFFFAOYSA-N 448.494 5.688 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 3069994 IWBBHXOWQVNGDM-UHFFFAOYSA-N 425.340 7.036 0 40 IKAB O=C(Nc1cccc(-c2cnc3ccccc3n2)c1)c1ccc(OCc2ccccc2)cc1 3265935 WCMJCOYMMYRCPN-UHFFFAOYSA-N 431.495 6.128 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 3280597 WZACEORYMMMLLY-QGZVFWFLSA-N 444.535 5.143 0 40 IKAB COc1ccc(CCSc2nnc([C@H]3COc4ccccc4O3)n2-c2ccccc2)cc1 3434256 JNLBARNYQFZEBU-HSZRJFAPSA-N 445.544 5.123 0 40 IKAB Cc1ccc(-n2c(C)c3c(C)nn4cc(-c5ccc(Br)cc5)cc4c3c2C)cc1 3647557 YMUDPGXQFQNACK-UHFFFAOYSA-N 444.376 6.941 0 40 IKAB Cc1nn(Cc2cccc(C(=O)NC34CC5CC(CC(C5)C3)C4)c2)c(C)c1Br 8432424 OTOOVFDIROSTTJ-UHFFFAOYSA-N 442.401 5.009 0 40 IKAB aggregator Cc1ccc(C)c(NC(=O)CSc2nc(-c3ccc(F)cc3)nc3c(C)cccc23)c1 8445959 HDDGIXWCUUOELP-UHFFFAOYSA-N 431.536 6.092 0 40 IKAB CCCCCCSc1nnc2c(n1)O[C@H](c1ccccn1)N(C(C)=O)c1ccccc1-2 8453094 HKPHCLPUBIAASY-JOCHJYFZSA-N 435.553 5.050 0 40 IKAB Cc1ccc(OCCn2c([C@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)c(C)c1 8754684 HICQIQIBOSQYSW-QHCPKHFHSA-N 439.559 5.248 0 40 IKAB CC(=O)c1cc(C(=O)c2ccccc2)n2c1c(-c1ccc3ccccc3n1)cc1ccccc12 8846366 KQTNLLZRBFXCLM-UHFFFAOYSA-N 440.502 6.741 0 40 IKAB COc1ccc(-c2cnc(N)nc2-c2ccc(OCc3cc(C)ccc3C)cc2O)cc1 9130130 FYHFLSJESZPZLP-UHFFFAOYSA-N 427.504 5.303 0 40 IKAB biogenic Cc1nc(SCC(=O)N(C)[C@@H](C)c2nc3ccccc3s2)n(C2CCCC2)c1C 9338028 OFPWJCAVNOHQJT-INIZCTEOSA-N 428.627 5.536 0 40 IKAB Cc1cc(-n2c(C)nc3ccccc3c2=O)ccc1NC(=O)c1cccc(C(F)(F)F)c1 9345800 PQWPQGQCCGYWCC-UHFFFAOYSA-N 437.421 5.274 0 40 IKAB CCc1cccc(C)c1NC(=O)c1cc(Br)cc(Br)c1OC 9427034 OCUUQFFYLQKYAJ-UHFFFAOYSA-N 427.136 5.343 0 40 IKAB Cc1ccc(CN2C(=O)c3ccccc3[C@@H]2c2c(-c3ccccc3)n(C)c3ccccc23)o1 9668381 XXRMBWRHOPERQT-MUUNZHRXSA-N 432.523 6.492 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cc(F)c(F)cc1Cl 9883268 NNVIVSULMWQECT-UHFFFAOYSA-N 431.847 5.605 0 40 IKAB Cc1ccc(CNc2nc(NCc3ccc(C)cc3)n(C(=O)c3ccccc3Cl)n2)cc1 9907541 BDCDCKKUNIRVRH-UHFFFAOYSA-N 445.954 5.461 0 40 IKAB COc1ccc(C(=O)N2c3ccccc3N=C(c3ccccc3)C[C@H]2c2ccccc2)cc1 10013802 JGCPKKZWKFVWQE-NDEPHWFRSA-N 432.523 6.608 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120040 BAGUFIHBIUTPJC-UHFFFAOYSA-N 427.287 5.986 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 11617416 VVUYBSIEKZZZBG-UHFFFAOYSA-N 438.380 5.330 0 40 IKAB Cn1c(NC(=O)Cc2ccccc2)c(-c2ccc(Cl)c(Cl)c2)c(=O)c2ccccc21 11691998 OGBACUOQWFWODR-UHFFFAOYSA-N 437.326 5.694 0 40 IKAB CCN(C(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)c(C)c1)C1CCCCC1 12547064 OGSOEUXLBWFMAI-UHFFFAOYSA-N 448.636 5.824 0 40 IKAB COc1ccc2cc(-c3nc4ccc(Cl)cc4c(-c4ccccc4F)c3C)ccc2c1 12547075 KBJHNFPMXFXVEG-UHFFFAOYSA-N 427.906 7.832 0 40 IKAB Cc1cccc(-n2c(SCc3cn4ccccc4n3)nc3sc4c(c3c2=O)CCC4)c1 12650780 CMSPUVXMMPMJBY-UHFFFAOYSA-N 444.585 5.184 0 40 IKAB O=C(Nc1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1)c1ccc(F)cc1F 12810312 KDPHXALCSDMHOB-UHFFFAOYSA-N 434.490 5.266 0 40 IKAB CCOc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(F)cc2)cc1 12879668 FBDDFUAWMBQCDB-UHFFFAOYSA-N 448.567 5.542 0 40 IKAB CCC(=O)N1N=C(c2cn(-c3ccccc3)nc2-c2ccccc2)C[C@@H]1c1cccs1 13128635 ZOYMZNOFKBLQOQ-JOCHJYFZSA-N 426.545 5.689 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3nc4ccc(F)cc4s3)no2)cc1OCC 13692601 XAFQWGCIKMWXJS-UHFFFAOYSA-N 427.457 5.140 0 40 IKAB O=C(NC[C@H](c1ccc(F)cc1)N1CCOCC1)c1cc2sc3ccccc3c2s1 14170544 XOHWTBYRANLSTM-GOSISDBHSA-N 440.565 5.058 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1)c1ccccc1 14250691 IMZSJMUQTQSEKC-UHFFFAOYSA-N 439.924 5.127 0 40 IKAB CC(C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(-c3ccc(Cl)c(Cl)c3)o2)c1 14269956 SWKDBENTFOQHOV-UHFFFAOYSA-N 449.359 6.209 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)c1cc(S(=O)(=O)N2CCCCC2)ccc1Cl 14495979 VKMALGQDPOOWOB-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB O=C1C[C@H](c2ccc(F)c(Br)c2)c2sc(C(=O)O)c(-c3ccccc3)c2N1 15084948 HDVQAVPCQBRRHA-GFCCVEGCSA-N 446.297 5.489 0 40 IKAB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)c1OCc1cccc2ccccc12 15277432 JSSUESDZFUKREF-KOEQRZSOSA-N 449.506 6.080 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(C(C)(C)C)cc4)cc3c2C)cc1 15729515 UYZHXIFWSGNBHS-UHFFFAOYSA-N 441.527 6.531 0 40 IKAB biogenic COc1cc(CNCc2ccccc2Cl)ccc1OCc1ccc(Cl)cc1Cl 16214729 BCESPTIXBCTHRR-UHFFFAOYSA-N 436.766 6.524 0 40 IKAB Fc1ccc(CNCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 16525977 LPBMOZIQDVFGEO-UHFFFAOYSA-N 440.345 7.155 0 40 IKAB COC(=O)[C@@H](N)Cc1ccc(OC(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 16951199 MCHCARFNAUXEMK-MHZLTWQESA-N 437.539 5.100 0 40 IKAB Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1 17095271 CVXIPTLVLVVFFX-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 17101802 VDFZGMVKXYHVLG-UHFFFAOYSA-N 437.952 5.282 0 40 IKAB CCCCC(=O)NC(=S)Nc1c(Cl)cc(Cl)cc1-c1nc2ccccc2s1 17102009 AKXNCKDINPCYTO-UHFFFAOYSA-N 438.405 6.273 0 40 IKAB C[C@@H](NC(=O)Cn1c(-c2cscn2)nc2ccccc21)c1ccc(Cl)c(Cl)c1 17963075 HVHLFWMCUXGNKD-GFCCVEGCSA-N 431.348 5.344 0 40 IKAB C[C@@H](Sc1ncnc2scc(-c3ccc(F)cc3)c12)c1nnc(-c2cccs2)o1 19297530 RSJSWMRIZGLTOW-LLVKDONJSA-N 440.550 6.462 0 40 IKAB Cc1cc(NC(=O)c2ccc(Br)cc2)ccc1NC(=O)c1cc2ccccc2o1 19860422 JUGKPLOZUCLFAK-UHFFFAOYSA-N 449.304 6.008 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H](Sc2nc3cc(C)ccc3[nH]2)c2ccccc2)cc1 19926658 HSXFRLNMCBMVDK-JOCHJYFZSA-N 445.544 5.520 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)c4ccc(OCC(C)C)cc4)ccc3o2)cc1OC 20412020 LBHXUFCKHKJVEJ-UHFFFAOYSA-N 446.503 5.799 0 40 IKAB Cc1ccc([C@H]2CC(=O)c3cn4nc(SCc5ccc(Cl)cc5)nc4nc3C2)cc1 20632475 DHFKZZQMIGQKLL-QGZVFWFLSA-N 434.952 5.291 0 40 IKAB CCOC(=O)C1=C(c2ccc(OC)cc2)Nc2nc3ccccc3n2[C@@H]1c1ccc(C)cc1 21005705 YXWPQABZGNYERB-RUZDIDTESA-N 439.515 5.343 0 40 IKAB Cc1cccc(-c2noc(CSc3ccc(-c4ccc(Br)cc4)nn3)n2)c1 33022036 ZDCCGFJWCGBULP-UHFFFAOYSA-N 439.338 5.557 0 40 IKAB CCCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc2noc(-c3ccccc3)c2c1 33026828 GVGUAQFBWGCIJE-UHFFFAOYSA-N 441.466 5.419 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)OCc1ccccc1 33581037 NCULKBITEPIIBY-OXJNMPFZSA-N 432.948 5.086 0 40 IKAB O=C(Cn1ccc2ccccc21)Nc1sc2c(c1C(=O)Nc1ccccc1)CCCC2 33782426 OMWRPQNHFMHVEQ-UHFFFAOYSA-N 429.545 5.473 0 40 IKAB COc1cc(C(=S)N2CCC(C)CC2)cc(Br)c1OCc1ccc(C)cc1 35074822 VLFDVZSEJQAKAF-UHFFFAOYSA-N 448.426 5.753 0 40 IKAB COc1cc(-c2nc3cccc(C)n3c2Nc2ccc(C)c(Br)c2)ccc1O 35616350 ZURHPAXSHGXQCA-UHFFFAOYSA-N 438.325 5.838 0 40 IKAB CCn1cc(-c2csc(NC(=O)c3ccc(COc4ccc(Cl)cc4C)o3)n2)cn1 36611228 WKNTXQBXHSNGCP-UHFFFAOYSA-N 442.928 5.413 0 40 IKAB CCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)Nc1ccccc1N1CCCC1 40103757 POIQPMHORCZBOD-UHFFFAOYSA-N 439.947 5.434 0 40 IKAB COc1ccc(N(Cc2nc(-c3cccc(C)c3)oc2C)S(=O)(=O)c2ccccc2)cc1 48989955 ILCJJHZVNBDEHW-UHFFFAOYSA-N 448.544 5.363 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)c(OC)c1 57316029 KFYCHBCITUFFDM-UHFFFAOYSA-N 446.503 5.896 0 40 IKAB O=C(N1CCC[C@@H]1c1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 57993509 DBGDOGRJRBHYRW-QZTJIDSGSA-N 434.590 6.000 0 40 IKAB COCc1cccc(C(=O)N(c2ccccc2F)C2CCN(C(=O)OC(C)(C)C)CC2)c1 78875485 HCCJZTCJLLMESU-UHFFFAOYSA-N 442.531 5.018 0 40 IKAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccnc5C)cc34)co2)c1 96266496 DJRRRJGDPXKDFC-UHFFFAOYSA-N 426.432 5.114 0 40 IKAB COCCn1c(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s/c1=N/c1ccccc1 100375855 YMFXBKRAKGPHCZ-OCOZRVBESA-N 449.601 5.718 0 40 IKAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(-c3nc4ccccc4s3)s2)CCC[C@H]1C 102214857 JQJAKBIMFWMGBM-ILXRZTDVSA-N 428.579 5.123 0 40 IKAB O=C1Nc2c(Cl)cc(Cl)cc2[C@]12Oc1ccccc1[C@@H]1CC(c3cccs3)=NN12 105972872 NLNANYATVPQJFK-KKSFZXQISA-N 442.327 5.404 0 40 IKAB 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@@]43C)OCN2C1 118915995 GRMUAQMHJKQVFL-UADDZZBXSA-N 427.673 5.629 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CCc1cccc2ccccc12 222407875 HVKRYKXIKHUHTB-AREMUKBSSA-N 430.592 5.413 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1c(Cl)cccc1Cl)[C@H](C)C(=O)NC(C)(C)C 223024146 OSLIHIBYTYDZIB-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1ccccc1C 223406130 WWDXYCHQDYNAKC-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB COc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1COc1ccc(Cl)c(C)c1 224207202 XTHMMGRGEUVDHO-UHFFFAOYSA-N 439.895 5.260 0 40 IKAB COc1ccc(OCc2cc(C(=O)Nc3ccc(Cl)cc3Cl)ccc2OC)cc1 224265598 MGYMHDBPNYWZJQ-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1COc1cc(C)cc(C)c1C 224279354 SOTQYCPHPAAUGA-UHFFFAOYSA-N 435.520 5.469 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)c1 224314262 UGZADTKQBZIOTO-DQEYMECFSA-N 439.588 5.120 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1ccc2ccccc2c1 224319605 DXMCYVHWBDEFQJ-OAQYLSRUSA-N 439.555 6.179 0 40 IKAB CN(c1ccc(Cl)c(C(=O)Nc2cccc(Cl)c2)c1)S(=O)(=O)c1ccccc1 224330170 YGJBPAGQWHWJGO-UHFFFAOYSA-N 435.332 5.071 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1COc1ccccc1C 224373445 KOGFWFHHWYRAEV-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB Cc1ccsc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224483801 PORLTGKOEPMIDJ-SJORKVTESA-N 430.396 5.391 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC1CCCCC1 224818541 XAGOBVQDQCJLGK-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 225174131 HBWPGLMTPARBDI-MSOLQXFVSA-N 433.017 5.154 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225242335 UFTZZJPTZSRART-VQTJNVASSA-N 434.555 5.244 0 40 IKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1nc(Cl)cc(N2CCCCCC2)n1 225972835 QGJNJKIJPZTYAZ-UHFFFAOYSA-N 444.048 5.309 0 40 IKAB Nc1cccc(NC(=O)c2ccc(-c3ccc(Br)cc3Br)o2)c1 226765418 JNASECPPQSDMBU-UHFFFAOYSA-N 436.103 5.306 0 40 IKAB Cc1c(C)c2c(c(C)c1O)CC[C@@](C)(OCC[C@H](C)CCC[C@H](C)CCCC(C)C)O2 226821051 HFAHWQRQVSANHA-CJYOKPGZSA-N 432.689 8.034 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ccncc23)CC1)C1(c2cccc(F)c2)CCOCC1 257254191 KCDFXLDJUSGDAY-NRFANRHFSA-N 446.566 5.294 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)nc(SCC(=O)Nc3cccc(C)c3)n2)cc1 408580540 CFDMVVREUREHNO-UHFFFAOYSA-N 433.455 5.210 0 40 IKAB CC1CCN(C(=S)Oc2ccc(C(=O)Nc3cccc(Br)c3)cc2)CC1 408721270 GCEAZSYNMXRZSZ-UHFFFAOYSA-N 433.371 5.097 0 40 IKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccc(Cl)cc1 408735053 NDEDILRCCGQRAF-UHFFFAOYSA-N 440.952 6.312 0 40 IKAB CCOc1cc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)ccc1O 408804944 HOAAUDLRFNXQAL-PHPGQWLJSA-N 437.585 5.845 0 40 IKAB COc1cc(CNc2cccc(C)c2)cc(Br)c1OCc1cccc(F)c1 409119272 SKXRTMGPBFHRPT-UHFFFAOYSA-N 430.317 6.096 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(Cl)c2)C1=O 409230090 BILVIFCWAIPYQS-WOJGMQOQSA-N 436.360 6.327 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3cccc(Cl)c3)cc2)cc1 409356158 FHFGCOBODGKPRH-UHFFFAOYSA-N 428.941 5.021 0 40 IKAB CCCn1cc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(CC)cc3)C2=O)c2ccccc21 409358222 KTGOLRHZRPPVBV-HMAPJEAMSA-N 447.560 5.289 0 40 IKAB CC(C)c1ccc(CN2CCC3(CCCCc4ccccc4O[C@H](C)C(=O)NC3)CC2)cc1 643563837 ZUMFYDKNKFYURX-HSZRJFAPSA-N 448.651 5.702 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccccc1)C(=O)Cc1cccs1 1336115 HEOLXQUFDJPXOQ-XMMPIXPASA-N 436.577 5.103 0 40 IKAB Cc1ccc(C(=O)Nc2cc(-c3nc4cc(Cl)cc(Cl)c4o3)ccc2C)c(C)c1 1866176 JSRCFBDUWAOIHR-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nc(-c2ccccc2)nc2ccc(Cl)cc12 2074095 ZQEAUDKHBLTLFW-UHFFFAOYSA-N 433.964 6.298 0 40 IKAB O=c1c2ccccc2nc(SCc2ccccc2Cl)n1Cc1ccccc1Cl 2625783 GLTLTQNLNWJRAH-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1sccc1OCc1cccc(C(F)(F)F)c1 3134842 FSEZSMWBPMHADK-UHFFFAOYSA-N 446.277 6.905 0 40 IKAB O=C(c1cc(-c2ccc(F)cc2)nc2ccccc12)N1CCN(c2ccccc2F)CC1 3257272 TZNKUCLIEBGPQM-UHFFFAOYSA-N 429.470 5.142 0 40 IKAB O=C(O[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1)c1cccc(Oc2ccccc2)c1 3335449 FBWVKRUTQNDKRG-MUUNZHRXSA-N 447.490 6.741 0 40 IKAB COc1cc(C(=O)Nc2c(C(C)C)cccc2C(C)C)ccc1OCc1c(C)noc1C 3392534 BHIYBDNYPJRNSA-UHFFFAOYSA-N 436.552 6.378 0 40 IKAB Cc1ccc2nc(COC(=O)c3cc(-c4ccc(Cl)cc4)nc4ccccc34)cn2c1 3441588 NTXLTYSSARENPL-UHFFFAOYSA-N 427.891 5.868 0 40 IKAB O=C(c1c(OCc2ccccc2)ccc2ccccc12)[C@H]1O[C@H]1c1cccc2ccccc12 4288127 LOBFDLUNBQVSCS-XZWHSSHBSA-N 430.503 6.895 0 40 IKAB CCCCc1ccc(NC(=O)CSc2nc(C)nc3sc4c(c23)CCCC4)cc1 6138496 QHYJAVLDQACXJB-UHFFFAOYSA-N 425.623 5.952 0 40 IKAB O=c1c(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)coc2c(Cl)cc(Cl)cc12 8411084 BKKXDYYTNUIZBN-UHFFFAOYSA-N 433.294 6.824 0 40 IKAB CCCN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1cccc(OCc2ccccc2)c1 8606567 REEOCKKOJRYJIB-AREMUKBSSA-N 439.515 5.317 0 40 IKAB aggregator O=C(c1ccccn1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@@H]2[C@H]1c1ccc(F)cc1 8693950 ITAUVHRNEHROPH-ZFUNDUTOSA-N 429.470 5.797 0 40 IKAB Cc1ccc2[nH]c(=O)c(C3=NN(C(=O)C(C)C)[C@H](c4ccco4)C3)c(-c3ccccc3)c2c1 8774953 UAIUFMWMZAABOR-QFIPXVFZSA-N 439.515 5.430 0 40 IKAB CCOc1ccccc1[C@H]1Oc2ccccc2[C@@H]2CC(c3ccc(OC)c(OC)c3)=NN21 9281554 PQZBOLAUUSVQIX-HFZDXXHNSA-N 430.504 5.345 0 40 IKAB COc1ccc(-c2c(NC(=O)c3ccc(C(C)(C)C)cc3)oc3ccccc3c2=O)cc1 9327640 OATRNENCWOGMLT-UHFFFAOYSA-N 427.500 6.018 0 40 IKAB Cc1c(-c2nc3ccccc3[nH]2)c(NC(=O)c2ccccc2F)n(Cc2ccco2)c1C 9410895 PXCHGVMKNITVLM-UHFFFAOYSA-N 428.467 5.681 0 40 IKAB Ic1cc2c(-c3ccccc3)c(-c3ccccc3)[nH]c2c2ccccc12 9444134 ZGIUFNNORBFVFJ-UHFFFAOYSA-N 445.303 7.260 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccccc2)n1Cc1ccco1 9479469 GSTODRHDSMYLSZ-UHFFFAOYSA-N 432.549 5.188 0 40 IKAB Cc1c(Cl)c(CSc2nnc(Cc3cccs3)n2C2CC2)nc2ccccc12 9549915 XFMMLKWNEICUCZ-UHFFFAOYSA-N 426.998 6.068 0 40 IKAB CCN(C(=O)COC(=O)c1ncc(Cl)c(Cl)c1Cl)c1cccc2ccccc12 9644201 DYYCKQRCKQQBAR-UHFFFAOYSA-N 437.710 5.405 0 40 IKAB CN(Cc1ccc(Cl)cc1)C(=O)CSc1nc(C(F)(F)F)nc2ccccc12 9670029 VWSPUILUCSQMIP-UHFFFAOYSA-N 425.863 5.053 0 40 IKAB CCOc1ccc2ncc3c(-c4ccccc4)nn(-c4ccc(Cl)c(Cl)c4)c3c2c1 9675877 CMZJOEQVXJHNIH-UHFFFAOYSA-N 434.326 6.946 0 40 IKAB CCOc1ccc([C@@]23Oc4ccccc4[C@H](c4ccc(F)cc4)[C@@H]2C3(Cl)Cl)cc1 12318511 JQJMUQPBYFANTJ-RJGXRXQPSA-N 429.318 6.448 0 40 IKAB COc1ccc([C@H]2Oc3ccccc3[C@@H]3CC(c4cccc5ccccc45)=NN32)cc1OC 12437279 VSTGRFASKVXDLM-RBJSKKJNSA-N 436.511 6.099 0 40 IKAB Cc1ccc(-c2csc(-n3nc(C)cc3NC(=O)c3ccc(Br)o3)n2)cc1 12441927 GOPFLLBXZHJNSV-UHFFFAOYSA-N 443.326 5.220 0 40 IKAB CCCc1noc([C@@H](C)Sc2nnc([C@H](C)N3CCCCC3)n2-c2ccc(F)cc2)n1 12528065 FKUFYGKZRZDOMR-JKSUJKDBSA-N 444.580 5.142 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(Cc2cccc3ccccc23)n1C 12631042 CRWNWHOZKZWRTJ-UHFFFAOYSA-N 436.968 5.252 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccccc3C(C)=O)c3ccccc3n2)cc1OC 12803944 DHEZQDYTMNPNKL-UHFFFAOYSA-N 426.472 5.374 0 40 IKAB CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)C[C@H]1Sc2ccccc2NC1=O 12886483 QFMXFIRLVNOTIR-HXUWFJFHSA-N 426.925 5.062 0 40 IKAB O=C(COC(=O)c1ccc2ccccc2c1)Nc1ccccc1Sc1ccc(Cl)cc1 13141751 IUDVEAMVENJCAC-UHFFFAOYSA-N 447.943 6.440 0 40 IKAB O=C(Nc1cccc(-c2nc3ccccc3s2)c1)c1cccc(CN2CCCC2=O)c1 13164296 KPSVTGRLEPNCCM-UHFFFAOYSA-N 427.529 5.338 0 40 IKAB O=C(Cc1csc(SCC(=O)c2cccs2)n1)Nc1ccc(Cl)c(Cl)c1 13654087 NNXTVXITCNHBTM-UHFFFAOYSA-N 443.402 5.668 0 40 IKAB O=C(COc1ccc(C2SCCCS2)cc1)NC(c1ccccc1)c1ccccc1 14094223 HZSUCWYHJQXSJX-UHFFFAOYSA-N 435.614 5.840 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1)c1ccccc1 14400240 LMNYNXUWBHTHDL-HXUWFJFHSA-N 427.548 5.420 0 40 IKAB Cc1cc(C(=O)Nc2ccc(Cl)c(S(=O)(=O)Nc3ccccc3Cl)c2)c(C)o1 15632725 HGEFZGQOYUUACA-UHFFFAOYSA-N 439.320 5.256 0 40 IKAB CCC(=O)Oc1c(C)cc(/C=C2\N=C(c3ccc(Br)c(C)c3)OC2=O)cc1C 16609989 MPJLASSPFJNETR-WQRHYEAKSA-N 442.309 5.034 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=S)NC(=O)c4cccc(C)c4)c3)nc2c1 16611189 BVWJUORHALDEAF-KRWDZBQOSA-N 443.572 6.444 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)/C=C/c4ccco4)ccc3o2)cc1 16691937 FLQIALYTSBTCDL-ZRDIBKRKSA-N 433.489 5.013 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(-c3ccccc3)n(-c3cc(C)ccc3C)c2=S)c(C)c1 16769337 ULTAPRQOAVOAHN-UHFFFAOYSA-N 442.588 5.943 0 40 IKAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(C(=O)c4ccc(Cl)cc4)c(C)c3c2)c1 16993212 GRRLWDRPIFNAQX-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3cccc(Cl)c3)c2)cc1 17100924 YADLXQKAIBBOET-QGZVFWFLSA-N 436.939 6.123 0 40 IKAB Cc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2C[C@@H](c2cccs2)N(C)C)cc1 19897861 ZGGXVPBFIYZNBO-WMZHIEFXSA-N 444.556 5.011 0 40 IKAB Brc1ccc(OCc2ccccn2)c([C@@H]2NCCc3c2[nH]c2ccccc32)c1 20111542 JTWMFCPJMLUFQR-QFIPXVFZSA-N 434.337 5.140 0 40 IKAB biogenic CCOc1cc([C@H]2C(C(=O)OC)=C(C)Nc3nc4ccccc4n32)ccc1OCCC(C)C 20633513 WMASBKSBIIZDIX-DEOSSOPVSA-N 449.551 5.322 0 40 IKAB CCn1cc(C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)c(=O)c2cc(OC)ccc21 22236003 HZTCMXCAGJHTBJ-UHFFFAOYSA-N 439.515 5.410 0 40 IKAB Cc1cccc(NC(=O)NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)o2)c1C 24505691 CORPTGKGSLMIDR-UHFFFAOYSA-N 438.553 5.091 0 40 IKAB CCc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)cc1 24719850 ZSVQTCUTAQXGOH-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1 24929517 AVNHNHNEJVIGPC-UHFFFAOYSA-N 448.935 5.266 0 40 IKAB Cc1ccc(N2C(=O)CC[C@H](C(=O)Nc3nnc(C(C)C)s3)[C@H]2c2cccs2)cc1 25323890 ZTZRDJVYJOUDGD-LPHOPBHVSA-N 440.594 5.154 0 40 IKAB CCCn1c(S[C@@H](C)c2nnc(-c3ccc(OC)cc3)o2)nc2cc(Cl)ccc21 32745327 KDWHYLGJTXRKEM-ZDUSSCGKSA-N 428.945 6.012 0 40 IKAB Cc1cc(C)cc(NC(=O)Nc2ccccc2SCc2cc(=O)n3ccccc3n2)c1 33026592 YVOISPQTNKQVFT-UHFFFAOYSA-N 430.533 5.248 0 40 IKAB C[C@H]1C[C@@H](NC(=O)Nc2cccc(NC(=O)N[C@@H]3C[C@H](C)CC(C)(C)C3)c2)CC(C)(C)C1 35944097 YXOHRYLHCVUPMD-MOXQZVSFSA-N 442.648 6.359 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)C1CCN(Cc2ccc(Br)cc2)CC1 38853472 LKRYCEBBKKRKQB-UHFFFAOYSA-N 425.729 5.092 0 40 IKAB COc1ccc(-c2noc(CCCC(=O)N(c3ccccc3)[C@H](C)c3ccccc3)n2)cc1 40157897 QWPKXKRVGIQKCN-HXUWFJFHSA-N 441.531 5.862 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1ccccc1Cl 45890992 VOLCYYVWEONVMU-UHFFFAOYSA-N 432.543 5.316 0 40 IKAB CCn1c(COc2cccc(C)c2C)nnc1SCC(=O)Nc1ccc2ccccc2c1 59176401 IJYUBLFXOHUREM-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2c(C)cccc2C)cc1 71328032 RNNAYBKRTDFKCP-UHFFFAOYSA-N 437.609 5.792 0 40 IKAB C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2cc(Cl)ccc2n1Cc1ccccc1 71869069 VTMSXXPZLXVOOR-INIZCTEOSA-N 440.952 5.282 0 40 IKAB Cn1cnc2cc(C(=O)N3CCC[C@H](c4cccc(-c5cccc(Cl)c5)n4)C3)ccc21 72356465 JITOIROIUIJKEO-IBGZPJMESA-N 430.939 5.309 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(O)=C2[C@@H]1c1ccc(Cl)cc1 100426939 DQHZFFNZBCXZDN-NSYGIPOTSA-N 432.907 6.503 0 40 IKAB COc1cc(CNC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1OC(C)C 218989149 QFTGQNUVKCNKHG-UHFFFAOYSA-N 439.939 5.645 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccc2c(c1)CCCC2 223054639 YARNPBNFPZZWLC-RUZDIDTESA-N 448.588 5.247 0 40 IKAB CCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 223124564 QNLAQRZQXRTUGY-RUZDIDTESA-N 448.994 5.049 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 223376011 KUKYGFGFUSMPJR-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB Cc1nc(NC(=S)NCc2ccc(-c3ccc(Cl)cc3)o2)c(Cl)cc1Cl 223913406 FIKFVRRHTQFQIF-UHFFFAOYSA-N 426.756 6.097 0 40 IKAB CSc1cccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)cc3)cc2)c1 223975345 KGLXLUGMVGEETJ-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB COc1ccc(C(=O)Nc2c(C)cccc2C)cc1COc1ccc(-c2ccccc2)cc1 224215575 OEQAYPXDQDFXAQ-UHFFFAOYSA-N 437.539 6.810 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc2ccccc2c1 224313020 RYTWMWSDLXWHPM-UHFFFAOYSA-N 431.919 6.642 0 40 IKAB CCCC[C@H](CC)CNC(=O)CN1c2ccc(C(C)C)cc2-c2ccccc2S1(=O)=O 224562712 PDDUZGOADNHTTD-IBGZPJMESA-N 442.625 5.318 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1CSc1ccc(C)cc1 224664559 OYHBVPMQJIDAGO-UHFFFAOYSA-N 441.980 6.600 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccccc2)[C@@H](Cc2ccccc2)C(=O)NC(C)C)c1 224760674 BHTZDHOSKONNOP-MHZLTWQESA-N 442.603 5.011 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(F)c(C)c2)nc1 224891748 LGZIIRGYTMAENK-DNQXCXABSA-N 443.551 5.200 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1 225314657 XTTPGCQKWNXHRQ-MHZLTWQESA-N 442.603 5.094 0 40 IKAB Cc1cccc(C2(C(=O)Nc3ccc(OCCCN4CCCC[C@@H]4C)cc3)CCCCC2)c1 225540352 UZMZYMAPKLIZPQ-DEOSSOPVSA-N 448.651 6.479 0 40 IKAB CC(C)n1c(=O)sc2cc(S(=O)(=O)Nc3ccccc3Oc3ccccc3)ccc21 225713947 AMCYCLMNISBOMQ-UHFFFAOYSA-N 440.546 5.237 0 40 IKAB COc1ccc(C2(C(=O)N3CCC[C@H]3c3ccnc(-c4ccccc4)n3)CCCC2)cc1 257248515 JDZBRSBHGPDIBA-DEOSSOPVSA-N 427.548 5.328 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(Br)cc2)n(CC)c1-c1ccccc1 408561957 MATKESPQZACQIE-LNVKXUELSA-N 429.383 5.693 0 40 IKAB Cc1cccc2c(/C=C(\Sc3nc4ccccc4[nH]3)C(=O)O)c(-c3ccccc3)[nH]c12 408634634 SVNDGQIGYVUTIG-STZFKDTASA-N 425.513 6.237 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(C)c4C)C3)cc2)cc1C 408640315 ITTCRNWCBLQJPI-OAQYLSRUSA-N 428.532 5.704 0 40 IKAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(C)c(C)c4)cc3)CC2=O)c(C)c1 408642325 OAQZLXBGDJLZRV-NRFANRHFSA-N 428.532 5.704 0 40 IKAB Cc1ccccc1N1C[C@@H](C(=O)Nc2ccc(Oc3ccc(C(C)(C)C)cc3)cc2)CC1=O 408643254 QWGJGJHDXRVQOE-FQEVSTJZSA-N 442.559 6.076 0 40 IKAB Cc1c(Cl)cccc1-n1nc(C(=O)OCC(=O)c2ccccc2)nc1-c1ccc(F)cc1 408697929 MWJQXIBNGSJKCL-UHFFFAOYSA-N 449.869 5.075 0 40 IKAB COc1ccc(NCc2cc(Cl)cc(Cl)c2OCc2cccc3ccccc23)cc1 409109833 MJODCDBTQASAQQ-UHFFFAOYSA-N 438.354 7.346 0 40 IKAB O=C1S/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1CC1CCCCC1 409130242 MGBQKEBGJUALMW-AUWJEWJLSA-N 430.751 5.425 0 40 IKAB CCc1ccc(N(CC(=O)Nc2c(C)cc(C)cc2C)S(=O)(=O)c2ccccc2)cc1 409135325 UKEAIVBSEHZOTG-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB CCOc1cc(CNc2cccc(C)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409257621 RHSVFXNSJVMFHK-UHFFFAOYSA-N 438.955 5.985 0 40 IKAB CC(C)c1ccc(CCc2nc(N3CCC[C@H]3Cc3ccccc3)ncc2C(=O)O)cc1 585268696 BYFRDTYWZPUOMG-QHCPKHFHSA-N 429.564 5.295 0 40 IKAB CC(C)(C)c1ccc(-c2cc(C(=O)NCc3ccc4c(c3)OCO4)c3ccccc3n2)cc1 659015 AUTLBQYOZIIOIS-UHFFFAOYSA-N 438.527 5.858 0 40 IKAB O=C(c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1cccs1)N2)N1CCCc2ccccc21 865718 XMNKTNQDAGCBEM-KSSFIOAISA-N 432.471 5.198 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=S)NC(=O)c4cc5ccccc5o4)ccc3o2)c1 1413841 ORWQHAPFWKQXID-UHFFFAOYSA-N 427.485 5.676 0 40 IKAB Cc1sc(NC(=O)c2ccco2)c([C@H](c2ccc(C(F)(F)F)cc2)N2CCCC2)c1C 1448866 GKXSMZSJWGNERB-FQEVSTJZSA-N 448.510 6.414 0 40 IKAB Cc1ccc2nc(Nc3ccc(S(=O)(=O)C(F)F)cc3)nc(-c3ccccc3)c2c1 1516424 YQLFRTFZJLNXTL-UHFFFAOYSA-N 425.460 5.345 0 40 IKAB CCc1ccc(-c2ccc(C(=O)Oc3ccc4cc(Br)ccc4c3)cc2)nc1 2024147 LPRCHAZCGNGFHX-UHFFFAOYSA-N 432.317 6.446 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nc3sc(C)c(C)c3c2=O)cc1C 2143313 JSHAGZLBNAEUAH-UHFFFAOYSA-N 441.021 6.627 0 40 IKAB COc1ccc(CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 2354278 RXTKSKCVVISZMV-UHFFFAOYSA-N 429.589 6.533 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 2624367 UVCOALFIEDNCHY-GOSISDBHSA-N 436.581 5.074 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3ccccc3Cl)c2c1C 2628499 LNGPQXPVWLDELB-UHFFFAOYSA-N 425.966 6.365 0 40 IKAB aggregator Cc1cccc(C(C)C)c1NC(=O)c1ccc(COc2ccc3c(C)cc(=O)oc3c2)cc1 2631795 OFSDJLRDHFZYKQ-UHFFFAOYSA-N 441.527 6.365 0 40 IKAB aggregator COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccccc1C 2889691 XJJQWMVHNDVUQB-UHFFFAOYSA-N 430.323 5.525 0 40 IKAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c2c(C)nn3-c2ccccc2)cc1 3294347 NEBPCHZGWZJPFV-UHFFFAOYSA-N 448.526 6.047 0 40 IKAB COc1cc2ccccc2cc1C(=O)OCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 3315468 POBNIKLEKLQWTE-UHFFFAOYSA-N 432.501 5.076 0 40 IKAB CC(C)c1cccc(C(C)C)c1NC(=O)COC(=O)/C=C/c1ccc(OC(F)F)cc1 3338470 WLCCRNQNYNXWBO-JLHYYAGUSA-N 431.479 5.730 0 40 IKAB Cc1ccc(-n2c(SCc3coc(-c4ccccc4)n3)nnc2-c2ccccc2)cc1C 3441351 PODQJNNXVIKIFA-UHFFFAOYSA-N 438.556 6.498 0 40 IKAB COc1ccc(C)cc1-n1c(SCCOc2c(C)cccc2C)nc2ccccc2c1=O 3449296 CHRMUNKIOVBCJU-UHFFFAOYSA-N 446.572 5.491 0 40 IKAB Cc1ccc(-n2c(SCC(=O)c3cc(F)ccc3F)nc3ccccc3c2=O)c(C)c1 3451512 RJHXPXSDSJWFNG-UHFFFAOYSA-N 436.483 5.256 0 40 IKAB C[C@@H]1CCc2sc(C(=O)O[C@H](C)C(=O)Nc3nc(-c4ccccc4)cs3)cc2C1 3455344 IPJBZGWOOUYDMQ-ZIAGYGMSSA-N 426.563 5.180 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(C(C)(C)C)cc4)c3)nc2c1 5476799 MZBJFZXPHYOWJE-SFHVURJKSA-N 426.560 7.558 0 40 IKAB CCN(CC)c1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccccc4)cc3n2)cc1 6630108 GLWSCJGFQJKAFN-LFIBNONCSA-N 425.536 5.227 0 40 IKAB Cc1ccc(C)n1-c1c(-c2ccc(Cl)cc2)cnn1-c1nc(-c2ccccc2)cs1 8782160 GLKWXZCBVKCVPD-UHFFFAOYSA-N 430.964 6.724 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccccc3Cl)CC2=O)cc1 8871519 NZBWNGRMWQWNDM-LJQANCHMSA-N 445.950 5.657 0 40 IKAB COc1ccc([C@@H]2Oc3c(Cl)cc(Cl)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 9216243 UBZJEEBWQDOGGA-GMAHTHKFSA-N 425.315 6.244 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(F)cc1)c1nc2ccccc2n1Cc1ccccc1 9375330 SHBWGUUOTUGGMU-QFIPXVFZSA-N 433.552 5.448 0 40 IKAB Cc1c(C)n(Cc2ccccc2)c2ncn3nc(CSc4nc5ccccc5o4)nc3c12 9435272 HKBNRYOPPMCPAA-UHFFFAOYSA-N 440.532 5.178 0 40 IKAB COc1ccc(-c2noc(CSc3nnc(-c4cc5c(s4)CC[C@H](C)C5)o3)n2)cc1 9581041 RLSYAKOHLKSJBQ-LBPRGKRZSA-N 440.550 5.274 0 40 IKAB Cc1nc(Cc2nnc(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)o2)cs1 11104564 KMJMNHRYLFSODW-IBGZPJMESA-N 440.525 5.037 0 40 IKAB COc1cc(OC)cc(-c2nnc(SCC(=O)c3ccc(Cl)cc3Cl)o2)c1 12172723 NTTUZSJIEZPOAL-UHFFFAOYSA-N 425.293 5.036 0 40 IKAB CCc1nnc2sc(-c3cc(-c4ccccc4)nc4ccc(Br)cc34)nn12 12273741 KEFQMALMWONRBC-UHFFFAOYSA-N 436.338 5.393 0 40 IKAB COc1cccc2c(SCC(=O)Nc3cc(Cl)ccc3C)nc(-c3ccccc3)nc12 12486310 PRXWYQKZOGCRMI-UHFFFAOYSA-N 449.963 5.998 0 40 IKAB Cc1ccc(N(C(=O)c2cc3c(s2)CCCC3)C(=O)c2cc3c(s2)CCCC3)nc1 12524499 BIPPXUWYFQALGD-UHFFFAOYSA-N 436.602 5.758 0 40 IKAB Cc1ccccc1-n1c(SCc2cn3ccccc3n2)nnc1-c1c[nH]c2ccccc12 12530904 VCHNFUJTKCKTAH-UHFFFAOYSA-N 436.544 5.664 0 40 IKAB CCc1ccc2nc(NC(=O)[C@@H]3CCCN(C(=O)c4ccc(Cl)cc4)C3)sc2c1 12565619 KFNACFRDFOWPSL-MRXNPFEDSA-N 427.957 5.003 0 40 IKAB O=C(COC(=O)c1ccccc1Nc1ccc(SC(F)F)cc1)NC1CCCCCC1 12617224 VVOWEZDFXIDKCZ-UHFFFAOYSA-N 448.535 5.741 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](c2ccc(Cl)cc2Cl)NC(=O)N1 12619179 DVIPWRFCRIISGI-MRXNPFEDSA-N 444.240 5.279 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cccc4c(Cl)cccc34)cc2)CC1 12632252 IZLQAJQWNALKCB-UHFFFAOYSA-N 437.996 5.856 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(Cl)cc3)C(=O)c3cccs3)cc2c1 12644035 CZRFFKTVKGUAQS-UHFFFAOYSA-N 436.964 5.648 0 40 IKAB C[C@@H](NC(=O)c1ccccc1N(C)C(=O)c1cccs1)c1ccc(Br)cc1 12767005 KSYSWTDZTZJDST-CQSZACIVSA-N 443.366 5.278 0 40 IKAB CCCN(Cc1nnc(-c2ccco2)o1)[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 12983802 QRBCIFKAPKVSFI-DEOSSOPVSA-N 444.535 5.538 0 40 IKAB Clc1ccc(-c2csc3ncnc(NC[C@H](c4ccccc4)N4CCCC4)c23)cc1 13031176 QWANRNRPGJOGEZ-OAQYLSRUSA-N 434.996 6.261 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)COC(=O)c1cc(-c2cccs2)nc2ccccc12 13074972 NAESCENUKULKDH-UHFFFAOYSA-N 444.556 6.191 0 40 IKAB Clc1ccc(C2=NN3[C@H](C2)c2ccccc2O[C@@H]3c2ccc(-c3ccccc3)cc2)cc1 13306974 IFRMSTLSNACFMZ-IXCJQBJRSA-N 436.942 7.249 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 13350066 BVQZBWKNTDJWJH-UHFFFAOYSA-N 443.572 6.579 0 40 IKAB COc1ccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 13628265 FRIUIQHNKVZTGY-SFHVURJKSA-N 446.547 5.651 0 40 IKAB CCSCCCCCCc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)s1 13756457 RHBOZMBOHWNORC-UHFFFAOYSA-N 432.537 6.057 0 40 IKAB O=C(/C=C/c1ccc(-c2cccc(Cl)c2Cl)o1)NC(=S)Nc1ccccc1S 14269738 TUKKJBOTQFVDBO-PKNBQFBNSA-N 449.384 6.069 0 40 IKAB Cc1sc2ncnc(Oc3ccc(N(C)S(=O)(=O)c4ccccc4F)cc3)c2c1C 15163443 IPUGZMHRHMBTRM-UHFFFAOYSA-N 443.525 5.065 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1 15529148 VOHKMIBXVJMHHI-UHFFFAOYSA-N 426.563 5.078 0 40 IKAB CC[C@H](CO)NCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl 16611390 AUEQTGYZSLHILG-MRXNPFEDSA-N 433.173 5.195 0 40 IKAB CCOc1cc(CNCCc2ccccc2F)ccc1OCc1ccc(Cl)cc1Cl 16689152 NTPMPKIDALSDNO-UHFFFAOYSA-N 448.365 6.443 0 40 IKAB CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1 16806127 MSDIWRQNIGBXAP-DEOSSOPVSA-N 440.499 5.262 0 40 IKAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2ccc(OCc3ccccc3)cc2)c1 17099085 XEVKCYORRNGUOL-KRWDZBQOSA-N 434.561 5.612 0 40 IKAB Cc1ccc(C)c(S(=O)(=O)Nc2nc3ccccc3nc2NCCC2=CCCCC2)c1 17206107 XUBFFIUWCFXKTN-UHFFFAOYSA-N 436.581 5.350 0 40 IKAB Cc1ccccc1N[C@@H](c1ccccc1)P(=O)(Oc1ccccc1)Oc1ccccc1 17379500 OYHXPMDLQJEAAI-AREMUKBSSA-N 429.456 7.457 0 40 IKAB CCS(=O)(=O)c1ccccc1C(=O)Nc1nc2ccc(Oc3ccccc3)cc2s1 20005126 JIXZJUCTFRHXGP-UHFFFAOYSA-N 438.530 5.135 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 20042269 AOTKJOZNUUHWMC-AFMDSPMNSA-N 430.573 5.260 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(Cl)cc3)cc2)cc1 20062790 NNONGGOILDAFDC-UHFFFAOYSA-N 446.981 5.139 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3ccc4c5c(cccc35)CC4)cc2)cc1 20571380 LWPUKGGVMNZKBE-UHFFFAOYSA-N 442.540 5.300 0 40 IKAB COc1ccc(C[C@H](NC(=O)Cc2csc(-c3ccco3)n2)c2ccc(OC)cc2)cc1 22965701 FJTDFJOQJYSDEC-QFIPXVFZSA-N 448.544 5.063 0 40 IKAB Clc1cc(Cl)cc(Nc2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)c1 25285463 VITDSFGNUZXOJO-UHFFFAOYSA-N 435.380 5.063 0 40 IKAB O=C(Cc1ccc(F)cc1)N[C@H](c1ccccc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 26129550 GFXHPPDQXBZFCQ-OAQYLSRUSA-N 427.401 5.169 0 40 IKAB CCCCC1=N[C@H]2Sc3c(SCc4ccccc4Cl)ncnc3[C@@H]2C2=C1CCC2 26464412 SHQASUGBCQYCKT-UGKGYDQZSA-N 442.053 7.063 0 40 IKAB Cc1cc(OCc2ccc(C(=O)OCc3ccc(Br)cc3)o2)ccc1Cl 28577923 LVIRNTQFPSXAAO-UHFFFAOYSA-N 435.701 5.940 0 40 IKAB O=C(Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1)c1cccc(F)c1 32116520 NAQVCFHRXXFHSM-UHFFFAOYSA-N 427.229 5.354 0 40 IKAB O=C(O)c1cccc(-n2cccc2/C=C2/SC(=O)N(Cc3ccc(Cl)cc3)C2=O)c1 32117121 BQXPGZNWMXFWKU-XDHOZWIPSA-N 438.892 5.065 0 40 IKAB COc1ccc(-c2noc(-c3ccccc3NC(=O)[C@@H](C)Oc3ccccc3Cl)n2)cc1 32622885 YUSOTGWIGLUEEO-OAHLLOKOSA-N 449.894 5.472 0 40 IKAB O=C([C@H]1CCCC[C@H]1c1nc2ccccc2s1)N1CC=C(c2c[nH]c3ccccc23)CC1 32904473 YKBICSCPQRCOBS-RTWAWAEBSA-N 441.600 6.367 0 40 IKAB CCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)cc1 38183368 DFVIBZGYPPWDPG-QHCPKHFHSA-N 431.540 5.001 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)Nc1ccc(Cl)cc1C(F)(F)F 48513811 AQNGVVFRKWHZFS-UHFFFAOYSA-N 427.835 5.063 0 40 IKAB O=c1[nH]c2c(cc1CNc1ccc(F)cc1)c(-c1cccc(F)c1)nn2-c1ccccc1 57721120 BNSJZHWRCXKJJG-UHFFFAOYSA-N 428.442 5.271 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3ccccc3C(C)C)o2)c1 59179524 QVMVJQPTWAOUTC-UHFFFAOYSA-N 439.581 5.935 0 40 IKAB CCc1cccc(NC(=O)c2sccc2S(=O)(=O)N(C)c2ccc(Cl)cc2)c1 64872071 KPCPJRHAXZKZOK-UHFFFAOYSA-N 434.970 5.041 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1C 67209094 GPFQAZPACMEESV-UHFFFAOYSA-N 435.574 5.049 0 40 IKAB Cc1cccnc1Nc1ccc([C@@H]2CCCN2C(=O)CC2CC(C)(C)NC(C)(C)C2)nc1 72353170 IWGSORPFAXNRLZ-QFIPXVFZSA-N 435.616 5.139 0 40 IKAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)C1 100109274 UNFFTTLFOJCQPA-KOSHJBKYSA-N 445.390 6.287 0 40 IKAB CCCOc1ccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)cc1OC 102877359 HZYPSYKSPBDQBY-AREMUKBSSA-N 448.563 6.296 0 40 IKAB COC(=O)CC[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[C@@]21C 123288752 DVIUCIPCTDVQAP-QWSDYRRXSA-N 432.645 6.166 0 40 IKAB Cc1ccc(CN(c2ccc(C(=O)Nc3cccc(Cl)c3C)cc2)S(C)(=O)=O)cc1 142929620 OZCMWXOXIGJGOI-UHFFFAOYSA-N 442.968 5.175 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1)c1ccc(C)cc1C 218802990 ODPPUKRLUDZTMO-HXUWFJFHSA-N 428.579 5.047 0 40 IKAB Cc1ccc(CCCNC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc1 219962430 ZNWKLKUSBKWTBP-UHFFFAOYSA-N 440.631 5.812 0 40 IKAB COc1c(Br)cc(Cl)cc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222604814 RUQXSPULNSNIPD-AMKSKSKJSA-N 438.778 5.095 0 40 IKAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3cc(C(=O)O)ccc3Cl)o2)S1 222633883 ANNNYZVPTVEBJP-BYYRLHKVSA-N 439.924 5.283 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1)CC(C)(C)O2 223278839 DLZFVUQHFCCTLS-PHCAOYFPSA-N 446.572 5.246 0 40 IKAB COc1ccc(CN2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223429833 QGTQECSRXBSGOQ-DQEYMECFSA-N 446.620 5.570 0 40 IKAB CC(C)C(=O)N(Cc1ccc(F)cc1)[C@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223484734 OYVKIYXTRGYCAQ-VWLOTQADSA-N 436.571 5.558 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCC3CCCCC3)ccc2Cl)c(C)c1 223966779 YGFHRHFJLRVPQP-UHFFFAOYSA-N 434.989 5.068 0 40 IKAB COc1ccc(C(=O)N[C@H](C)CCc2ccccc2)cc1COc1cc(C)cc(C)c1C 224283834 CGPOLOICEHZZPV-OAQYLSRUSA-N 431.576 5.951 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccc(OC)cc1 224599587 MGIZZUPFUGKMAJ-UHFFFAOYSA-N 445.437 5.944 0 40 IKAB Cc1cccc([C@H](NC(=S)Nc2ccc(C)c(N3CCCC3=O)c2)c2ccccc2)c1 225701162 ZUZBECGZBJAENB-RUZDIDTESA-N 429.589 5.506 0 40 IKAB CCOc1ccc([C@@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 225750113 NTMNEHQMAGVXCE-GFCCVEGCSA-N 446.922 6.204 0 40 IKAB CCCOc1ccc(C(=O)O)cc1[C@H]1C[C@](C)(NC(C)=O)C[C@@H](c2cccc(Cl)c2)O1 257206365 BDBFHLVOWGEJAR-WMTXJRDZSA-N 445.943 5.315 0 40 IKAB O=C(Cn1cnc2ccccc21)N1CCC(c2ccc(Cc3cccc(Cl)c3)cn2)CC1 257310132 UDUMLUWJXZXFSJ-UHFFFAOYSA-N 444.966 5.082 0 40 IKAB Cc1cccc(C2(C(=O)N3CCC[C@H](Cc4cccc5cccnc45)C3)CCOCC2)c1 257315644 VCGASMLJBGCQSV-JOCHJYFZSA-N 428.576 5.073 0 40 IKAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2ncc(Cc3cccc(Cl)c3)o2)s1 257320042 VVCLOYZANKRMCF-IBGZPJMESA-N 429.973 5.288 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Cl)c(Cl)c2)ccc1OCc1ccc(C)cc1 408552041 GXIDSIKZPVRONW-UHFFFAOYSA-N 430.331 6.532 0 40 IKAB O=C1CS[C@@H](c2ccccc2OCc2ccc(Cl)cc2)N1c1ccc(Cl)cc1 408555013 GQZZPLRWJQMYSE-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Fc1ccc(CNC(=S)c2cc(Br)ccc2OCc2ccccc2)cc1 408578299 XIIMNUFTCURKGA-UHFFFAOYSA-N 430.342 5.633 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4cccc(Cl)c4C)C3)cc2)c1C 408642387 OKCIIMLYHXPHHP-LJQANCHMSA-N 448.950 6.049 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(C)c3C)n2)c1 408698817 SBCRMSJKUIAIRT-UHFFFAOYSA-N 442.519 5.129 0 40 IKAB CCc1ccc(NC(=O)CCC(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)cc1 409173902 OWMWMFWUHASMOA-SANMLTNESA-N 449.934 5.789 0 40 IKAB O=C(CN1C(=O)S/C(=C/c2ccc(-c3ccccc3)cc2)C1=O)Nc1cccc(F)c1 409239248 CRZVFPOVEBPYEL-FYJGNVAPSA-N 432.476 5.168 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC(C(C)C)C(C)C)ccc2Cl)cc1C 409409044 MBHLTWXEJUOWHG-UHFFFAOYSA-N 437.005 5.168 0 40 IKAB O=C(C[C@H]1CC[C@@H](c2ccnc3ccc(F)cc32)CC1)N1C(=O)OC[C@H]1c1ccccc1 584641448 YPCHPGLGWGZWCT-RHGYRFJNSA-N 432.495 5.758 0 40 IKAB Cc1ccc(C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C(=O)N2CCCCC2)cc1 823319 GZIBDYBFAUFAHN-LHLOQNFPSA-N 440.543 5.571 0 40 IKAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2n1 848730 HYKYMRPGOFMKEA-CHWSQXEVSA-N 436.865 5.472 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc(C(=O)Nc2cccc(C)c2)c1C 871383 UHIAHKMVXIJSFO-UHFFFAOYSA-N 442.924 5.310 0 40 IKAB CCc1nnc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)s1 877994 UZIMLPAQQRMODP-UHFFFAOYSA-N 441.969 5.095 0 40 IKAB CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nnc1-c1ccc(O)cc1 886694 NGRWSHWHFJRVSM-UHFFFAOYSA-N 430.533 5.128 0 40 IKAB COc1ccc(Nc2nc(Nc3cccc(C(F)(F)F)c3)nc(N3CCCCC3)n2)cc1 974346 OFAOSDOSGWXHHF-UHFFFAOYSA-N 444.461 5.377 0 40 IKAB CCCCCCSc1nnc2c3c4c(sc3nc(SC)n12)CO[C@H](C(C)C)C4 1769909 YZKSRZMMHWTREL-AWEZNQCLSA-N 436.672 5.831 0 40 IKAB CC(C)Oc1ccc(-c2csc3ncn([C@@H](C)C(=O)OC4CCCCC4)c(=O)c23)cc1 1784776 DRPMSLWTFJWGBS-INIZCTEOSA-N 440.565 5.349 0 40 IKAB CCOC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)COc1ccccc1C 1935455 VOSQSJDBZLOIDG-UHFFFAOYSA-N 429.925 5.571 0 40 IKAB Clc1ccc(-c2nnc(-c3ccc(Br)cc3)c(N3CCCCC3)n2)cc1 2050024 IBMLLEMVBUDLHK-UHFFFAOYSA-N 429.749 5.612 0 40 IKAB CCOC(=O)c1c(NC(=O)C(C)(c2ccccc2)c2ccccc2)sc2c1CCCC2 2057002 OJAYWUZCUMEZHK-UHFFFAOYSA-N 433.573 5.748 0 40 IKAB Cc1c(OCc2ccc(F)cc2)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12 2125781 YMVKYVGNIQCYLO-UHFFFAOYSA-N 428.415 5.593 0 40 IKAB biogenic C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccc(C(=O)OC)cc4)coc3c2)cc1 2152502 IBTAOEPWUHTVFT-UHFFFAOYSA-N 428.440 5.594 0 40 IKAB biogenic CCOc1ccc(NC(=O)c2c(N)n(-c3cccc(C)c3)c3nc4ccccc4nc23)cc1 2326274 FCZBDWOIWQNNTI-UHFFFAOYSA-N 437.503 5.115 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccccc2F)n1-c1ccccc1 2350831 OXOVRUFDJQKITQ-UHFFFAOYSA-N 432.524 5.367 0 40 IKAB COc1ccccc1-c1cc(-c2ccccc2OC)n(-c2ccc(Cl)c(Cl)c2)n1 2733590 SNPSJRWWCSICOE-UHFFFAOYSA-N 425.315 6.530 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cccc(OC(F)F)c2)sc(C)c1-c1ccccc1 2739393 QGBPUKBLMBMTOA-UHFFFAOYSA-N 431.460 5.754 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1cccc(Br)c1 3140401 MSCJYCXQJNNDGD-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB O=C(Nc1nc(-c2ccc(Oc3ccccc3)cc2)cs1)c1cccc(C(F)(F)F)c1 3210722 YLRJCLVQVAHALG-UHFFFAOYSA-N 440.446 6.874 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H](NCc1ccc2c(c1)OCO2)c1ccccc1 3293192 SPQAZJOZRLEVSG-NRFANRHFSA-N 429.303 5.192 0 40 IKAB Cc1cc(C(=O)CSc2ncc(C(F)(F)F)cc2Cl)c(C)n1C[C@H]1CCCO1 3302752 PDMCPZQDQAYCPZ-CQSZACIVSA-N 432.895 5.326 0 40 IKAB CCc1cccc(CC)c1NC(=O)CN(c1cccc(OC)c1)c1nc2ccccc2s1 3303440 YHTLXZLXTQGLCT-UHFFFAOYSA-N 445.588 6.207 0 40 IKAB Cc1ccc(-c2cc(C(=O)Oc3ccc(Oc4ccccc4)cc3)c3ccccc3n2)cc1 3319632 XVSXDALICMZCGO-UHFFFAOYSA-N 431.491 7.222 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(-c2ccc3c(c2)OCO3)o1)c1ccccc1 3358962 RFQWWDOMKDMOMT-HXUWFJFHSA-N 449.463 5.077 0 40 IKAB CC[C@@H](Sc1nc2ccccc2s1)C(=O)N1c2ccccc2Sc2ccccc21 3667203 LXWHYJMZACTDMF-GOSISDBHSA-N 434.611 6.997 0 40 IKAB CC(C)=CCC[C@](C)(O)[C@@H]1CC[C@]2(C)[C@@H]1CC[C@@H]1[C@@]3(C)CCC(=O)C(C)(C)[C@H]3CC[C@]12C 4521458 NJICGAVMYWKCMW-HCCQZQLGSA-N 442.728 7.738 0 40 IKAB biogenic,in-vitro C(=C\CN(Cc1ccccc1)Cc1ccccc1)\CN(Cc1ccccc1)Cc1ccccc1 4692022 DROKKWZETPKKGN-YPKPFQOOSA-N 446.638 6.947 0 40 IKAB COc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)c(C)c3)cnc3ccc(C)cc23)cc1 8605086 CRTJBRJSYPOQKH-UHFFFAOYSA-N 445.540 5.232 0 40 IKAB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@@H]1CC(c3ccc(Cl)cc3)=NN12 8717690 RDGLRJQFIWPFIA-IBGZPJMESA-N 446.776 5.068 0 40 IKAB Cc1ccc(C)c(Cn2c([C@@H]3CC(=O)N(c4cccc(Cl)c4)C3)nc3ccccc32)c1 8755056 SIACSTUGNAQBOX-HXUWFJFHSA-N 429.951 5.875 0 40 IKAB COc1ccc([C@H]2CC(c3ccccc3OC(C)=O)=NN2C(=O)/C=C/c2ccccc2)cc1 8773123 UHKQCLUYDWSYTJ-HSEDLZSMSA-N 440.499 5.012 0 40 IKAB CC(=O)c1ccc(N2CCN(C(=O)CSc3cccc4cccc(Cl)c34)CC2)cc1 8780249 ILSQNTHHFFQUFP-UHFFFAOYSA-N 438.980 5.137 0 40 IKAB CCN(CC)S(=O)(=O)c1ccc(Nc2cc(C)nc3cc(C(F)(F)F)ccc23)cc1 8870915 YVLDZOFYHXFHEN-UHFFFAOYSA-N 437.487 5.336 0 40 IKAB O=C1[C@H]2ON(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C(=O)N1c1ccccc1 9013638 FWDPHRPQKVGFJL-HFASVGIHSA-N 446.506 5.060 0 40 IKAB CCc1ccc(-n2c(SCC(=O)c3ccccc3)nc3sc(C)c(C)c3c2=O)cc1 9296186 HDICJMGKJIMTRZ-UHFFFAOYSA-N 434.586 5.601 0 40 IKAB CCc1ccc([C@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)N(C)Cc4ccccc4)c3N2)cc1 9435341 HYOJTPLWOVFZPH-NHCUHLMSSA-N 442.485 5.378 0 40 IKAB C[C@H](Sc1nnc(-c2cccs2)n1C1CC1)C(=O)Nc1ccc(Cl)cc1Cl 9463400 PODGGGBDVLPPGX-JTQLQIEISA-N 439.393 5.768 0 40 IKAB C[C@@H](Sc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)C(=O)N(C)c1ccccc1 9510326 SLMQLTLPVUPSBB-QGZVFWFLSA-N 432.524 5.217 0 40 IKAB Cc1nn(Cc2c(Cl)cccc2Cl)c(C)c1NC(=O)c1noc2c1CCCCC2 9597919 MPGIWBFXRCZBKM-UHFFFAOYSA-N 433.339 5.364 0 40 IKAB COc1cc(CNc2ncc(-c3ccc4c(c3)OCO4)n2C)ccc1OCc1ccccc1 9805803 BACQWYJLQUJVEX-UHFFFAOYSA-N 443.503 5.016 0 40 IKAB CC(C)CSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 9840903 XIFXDHNWTXHFMA-UHFFFAOYSA-N 425.934 5.715 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3ccc(COc4ccccc4)o3)ccc2OC)cc1 9953615 VRLLYNHDPUHTGW-UHFFFAOYSA-N 429.472 5.795 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4ccc(C(C)C)cc4)cc3C[C@@H]2C)cc1 10326620 JJSUNRFRTYPKNE-IBGZPJMESA-N 448.588 5.511 0 40 IKAB COc1ccc(C)c2sc(N(CCCn3ccnc3)C(=O)c3ccc(Cl)s3)nc12 10381613 FWYKBPOSVWKLFB-UHFFFAOYSA-N 446.985 5.262 0 40 IKAB Cc1ccccc1OCCSc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 12062349 CVBATASPKDAENH-UHFFFAOYSA-N 431.561 5.179 0 40 IKAB C[C@@H]1S[C@]2(C(=O)N(Cc3ccc(Cl)cc3)c3ccccc32)N(c2ccccc2)C1=O 12416975 SLPJSAAXEJANRA-UPCLLVRISA-N 434.948 5.208 0 40 IKAB O=C(NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12)c1cc(=O)c2ccccc2o1 12530280 GFSVLQDBTMMWID-IBGZPJMESA-N 442.902 5.490 0 40 IKAB C[C@@H](Nc1ccc(Sc2ccc(Br)cc2)cc1)C(=O)NCC1CCCCC1 12550969 MEGYYAONICXTMC-MRXNPFEDSA-N 447.442 6.097 0 40 IKAB c1ccc(-c2nn(-c3ccccc3)cc2[C@H]2Nc3ccccc3-c3nc4ccccc4n32)cc1 12559524 FDGPVDPLYAHUOR-LJAQVGFWSA-N 439.522 6.528 0 40 IKAB O=C(c1ccccc1)[C@H](Sc1nnc(C2CC2)n1Cc1ccccc1)c1ccccc1 12567610 XSLDSTVSFZOKQW-XMMPIXPASA-N 425.557 5.920 0 40 IKAB CCCCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(F)cc4)=NN23)cc1 12617498 DXUDXOSBBKSSCI-VPUSJEBWSA-N 430.523 6.637 0 40 IKAB CC(C)n1ncc2c(C(=O)Nc3cccc(N4CCCC4=O)c3)cc(-c3ccccc3)nc21 12679515 SMHZAYMPTGFMIP-UHFFFAOYSA-N 439.519 5.058 0 40 IKAB Cc1noc([C@H](C)Sc2nc3scc(-c4cccs4)c3c(=O)n2CC(C)C)n1 12741489 QUMQRYSWNKAYDE-NSHDSACASA-N 432.596 5.387 0 40 IKAB Cc1nc(-c2cccs2)sc1C(=O)N[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 13100782 UHDQCHNHQPJENK-LJQANCHMSA-N 428.579 5.468 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccoc2C)cc1 13512079 BAHRAONNLQTGRL-UHFFFAOYSA-N 448.548 5.192 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(C(=O)Nc3ccccc3F)C3CCCC3)cc2c1 13513936 AZHAWCSNVWDHBF-UHFFFAOYSA-N 425.935 6.621 0 40 IKAB CCCCc1ccc(NC2=C[C@@H](c3ccccc3)N(c3ccc(CCCC)cc3)C2=O)cc1 15304722 BKSNBLAWWIWSDJ-LJAQVGFWSA-N 438.615 7.456 0 40 IKAB CSCC[C@H](NC(=O)c1ccc(-c2nc3ccccc3s2)o1)c1nc2ccccc2[nH]1 16695532 PJIMPJFRZFMNHQ-KRWDZBQOSA-N 448.573 5.657 0 40 IKAB CC(=O)c1cccc(NC(=O)CCCSc2nc3c(c(C(F)(F)F)n2)CCCC3)c1 16778560 FSYKZTUTLRNVTA-UHFFFAOYSA-N 437.487 5.088 0 40 IKAB COc1ccc(-c2nc(CSc3nc(O)cc(-c4cccc(OC)c4)n3)c(C)o2)cc1 16840826 HQIFNPANIGVULJ-UHFFFAOYSA-N 435.505 5.122 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4cccc(OCC)c4)cc3n2)cc1 17095996 JNEZPCXCQURDFP-UHFFFAOYSA-N 428.536 5.723 0 40 IKAB CC[C@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)cn2)cc1 17096622 BRTFZOBRZKXEKS-MOPGFXCFSA-N 429.564 6.613 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc3c4c(cccc24)CC3)c1Cl 17099202 CFIGSXRZSLHBLH-UHFFFAOYSA-N 434.750 6.533 0 40 IKAB O=C(Nc1ccccc1-c1nc2ccccc2s1)c1ccc(OCc2ccccc2)cc1 17100469 NBOHUMVDMAYLNP-UHFFFAOYSA-N 436.536 6.795 0 40 IKAB Cc1ccc(/C=C/C(=O)NC[C@]2(C)C[C@H](NC(=O)/C=C/c3ccc(C)o3)CC(C)(C)C2)o1 17102642 FKJSNQKYYVGFEG-CSKQFMNRSA-N 438.568 5.033 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 19630595 GCUBOGYDBBGMCA-UHFFFAOYSA-N 439.751 6.342 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 19691287 DYKXVKXCUFXBOS-DEOSSOPVSA-N 428.511 5.369 0 40 IKAB CCCCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633474 FEMHTLKUJJQMPJ-XMMPIXPASA-N 449.551 5.464 0 40 IKAB COc1ccc([C@@H]2C(C(=O)Nc3cccc(Cl)c3)=C(C)Nc3nc4ccccc4n32)cc1 20970405 GCONFLOQGLHSPI-HSZRJFAPSA-N 444.922 5.626 0 40 IKAB Clc1cccc(-c2ccc(CNCc3ccc(CN4CCOCC4)cc3)o2)c1Cl 21841516 RIYAGPKYENSPJQ-UHFFFAOYSA-N 431.363 5.375 0 40 IKAB CCOc1ccc(N2C[C@@](O)(c3ccc(-c4ccccc4)cc3)[N+]3=C2CCCCC3)cc1 22408711 NPSFPWWRHFBOPV-MUUNZHRXSA-N 427.568 5.403 0 40 IKAB O=C(Nc1ccc(F)c(F)c1F)C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 23818883 TXBRQEJRUHTDAJ-UHFFFAOYSA-N 437.771 5.026 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)N(C2CCCCC2)C2CCCCC2)cc1)c1ccco1 27020349 YUYAYPUTKSXRDM-UHFFFAOYSA-N 430.570 5.188 0 40 IKAB Cc1cc(Br)ccc1NCN1C(=O)S/C(=C\C=C\c2ccccc2)C1=O 33348769 LTZJRFUZALMWKK-WCTLISOUSA-N 429.339 5.420 0 40 IKAB CCc1ccccc1N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 35039620 MBEFVWJJJGVNOD-MOSHPQCFSA-N 425.962 6.568 0 40 IKAB COc1cccc(-c2nn(C3CCCC3)c(-c3cccc(OC)c3)c2Br)c1 36611273 KZMOZLBHJJXBNL-UHFFFAOYSA-N 427.342 6.112 0 40 IKAB Cc1cc(C(=O)Nc2nc3c(C)cccc3s2)c2c(C)nn(Cc3ccccc3)c2n1 36616177 TUPCFDBGDRSJRB-UHFFFAOYSA-N 427.533 5.267 0 40 IKAB CCc1cc(C(=O)Nc2ccc(OC)cc2)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 36621606 NIJOHHBQHOHGSW-UHFFFAOYSA-N 430.483 5.260 0 40 IKAB Cc1c(-c2nc(-c3ccccc3)no2)oc2ccc(S(=O)(=O)N3CCCCCC3)cc12 38487764 RHMZEQHRPAUVAF-UHFFFAOYSA-N 437.521 5.023 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(Cl)cc1)N1CCc2ccccc21 44087475 BSTLYYMPXKAJGL-UHFFFAOYSA-N 445.975 5.874 0 40 IKAB CC[C@@H](NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1)c1ccc(C)c(C)c1 44856520 RVZGHQNNFZYGHR-HSZRJFAPSA-N 433.423 6.090 0 40 IKAB O=C(NCCCc1ccc(Cl)cc1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 44906389 YWKUYLMLCJGYGG-UHFFFAOYSA-N 439.814 5.608 0 40 IKAB CCn1c(SCC(=O)N(C2CCCCC2)C2CCCCC2)nc2ccccc2c1=O 57589418 RDEPLKTZUZEEPZ-UHFFFAOYSA-N 427.614 5.003 0 40 IKAB CCCOc1ccc(C(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)cc2)cc1 59108647 IMKYIEDKBBPXPP-UHFFFAOYSA-N 429.564 5.050 0 40 IKAB Cc1ccccc1C(=O)Nc1ccc2nc(SCC(=O)c3ccc(F)cc3)sc2c1 59489723 COQLLJGLTXQWSK-UHFFFAOYSA-N 436.533 5.971 0 40 IKAB COc1ccc(-c2noc(-c3cn(-c4cccc(C)c4)c(=O)c4ccccc34)n2)cc1OC 67245231 SWDCXJPQNJUPKP-UHFFFAOYSA-N 439.471 5.033 0 40 IKAB COc1ccc(C(=O)Oc2cc3c(C(C)=O)c(C)n(-c4ccccc4)c3cc2C(C)=O)cc1 68755234 VACSTNVULYTPQQ-UHFFFAOYSA-N 441.483 5.572 0 40 IKAB CC[C@@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 69351529 XYJXKXJWAADCFR-VFNWGFHPSA-N 448.394 5.377 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2Cc2ccccc2)cn1)C1CCCCC1 72215708 CIKQRGSXVBJQNZ-VWLOTQADSA-N 449.639 6.883 0 40 IKAB O=C(Nc1cccc(N(CC2CC2)C(=O)c2cc(F)ccc2F)c1)c1cc(F)ccc1F 72300877 HGCKKWPCJWUVAM-UHFFFAOYSA-N 442.412 5.552 0 40 IKAB CC(C)c1nccn1CCC(=O)N1CCC[C@H](c2[nH]c3ccccc3c2-c2ccncc2)C1 72396396 XFVYARYVZNUMFV-NRFANRHFSA-N 441.579 5.346 0 40 IKAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1cccc(C(F)(F)F)c1 102529247 NFUNHOXIXWRESA-UHFFFAOYSA-N 437.421 5.202 0 40 IKAB C[C@H]1[C@@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(Cc2ccccc2)[C@H]1c1ccccc1 102673748 LBMQWGLSKLHDSA-QOTGBRPGSA-N 445.606 7.163 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2ccccc2)N2C[C@H](C)O[C@@H](C)C2)c1C 102758200 FMZHLCDGPJECMI-LLJLJFOGSA-N 434.605 5.816 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1NC(=O)[C@]1(C)C[C@H]2C=C[C@H]1C2 112249527 JRGHSCKPOIDCKW-OWOAZTCBSA-N 440.547 5.282 0 40 IKAB CCc1ccccc1NC(=O)CN(c1cccc(C)c1C)S(=O)(=O)c1ccc(C)cc1 113938184 CWWBDDJSELOXJV-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 197330488 XQXWTUFKPZQBMP-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB O=C1S/C(=C/c2ccccc2OCCOc2ccccc2)C(=O)N1Cc1ccc(F)cc1 214202005 OQABOZPUAUCZRZ-XQNSMLJCSA-N 449.503 5.520 0 40 IKAB CC(C)c1ccccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222861444 JSUMRJGVCGNKAK-GOSISDBHSA-N 445.003 5.174 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(F)c(Cl)c1 222955528 PLKPEZKBCVZJJR-SFTDATJTSA-N 428.964 5.437 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223329605 VXYANJFWSDOFAX-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)COc1ccc(Cl)c(C)c1 223643353 IWSQPDOOYIEGAA-QHCPKHFHSA-N 445.003 5.059 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 223756134 AZHIIVNTCHMYNQ-LOSJGSFVSA-N 446.620 5.801 0 40 IKAB CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2C2CCCCC2)cc1 223904289 BKIWSKYHHCYGAJ-DQEYMECFSA-N 445.636 5.631 0 40 IKAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1COc1cc(C)cc(C)c1 224192924 KSRMFJNDIHTZEC-UHFFFAOYSA-N 440.337 5.906 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)c1 224229271 KYTCQFYPTJSQCG-BJKOFHAPSA-N 444.991 6.011 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2C)cc1COc1ccc(Cl)c(C)c1 224543147 SBZYQIQUXPYLJM-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB Cc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)s2)cc1 224569310 JIORMUTXGJQYSZ-UHFFFAOYSA-N 426.973 5.018 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224679466 SAPFMIQZIXXWDO-NRFANRHFSA-N 438.637 5.343 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@H](c4ccccn4)[C@@H]3c3ccn(C)c3)cc2)cc1 224722194 ONYHGQXWDPRHTL-RPBOFIJWSA-N 440.572 5.698 0 40 IKAB Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(F)cc3)o2)ccc1F 224910080 XJXTVYWMPKZTFM-RPWUZVMVSA-N 447.510 6.105 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC(c1ccccc1)c1ccccc1 225001468 GEMVBAAZJXOQBN-GOTSBHOMSA-N 442.603 5.541 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 225519853 ZJIGUXCYIACWDT-NVQXNPDNSA-N 436.640 5.773 0 40 IKAB CCCOC(CC(C)C)(CC(C)C)C(=O)Nc1ccc(OCCCN(CC)CC)cc1 225742419 KRHRURCQRIBTGF-UHFFFAOYSA-N 434.665 5.993 0 40 IKAB Cc1ccc([C@H](NC(=S)Nc2cccc(Br)c2)c2ccccc2)c(C)c1 225767229 ZKTCTQNEEDDYKO-OAQYLSRUSA-N 425.395 6.142 0 40 IKAB CCCc1ccc(-c2ccc(C(=O)NS(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)cc1 257222246 DSOGRLGJWHUAQS-UHFFFAOYSA-N 447.478 5.444 0 40 IKAB COc1cccc(Nc2ncccc2C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)c1 257268794 MNFPCPKNLADZAF-IBGZPJMESA-N 438.531 5.087 0 40 IKAB COc1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2Cl)c2ccccc2F)cc1 408628343 XEUXYVWQGWDMQQ-UHFFFAOYSA-N 440.323 5.537 0 40 IKAB Cc1ccc(NC(=O)c2ccc(N3C(=O)c4cc(Cl)c(Cl)cc4C3=O)cc2)cc1C 408667053 AYFZWNXOQHFEGQ-UHFFFAOYSA-N 439.298 5.663 0 40 IKAB Cc1cc(C)cc(N2C[C@@H](C(=O)Oc3ccc(C(C)(C)c4ccccc4)cc3)CC2=O)c1 408674171 YRQCZPJIEPMLLT-NRFANRHFSA-N 427.544 5.588 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(OC)cc3)n2)cc1 408694617 KYRAKADHFAIQHR-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)Nc1ccc(Cl)c(Br)c1 408912584 OAPQIVAWXTVOCA-UHFFFAOYSA-N 437.548 6.207 0 40 IKAB COc1cc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)ccc1OCc1ccccc1Cl 409087426 CKLWHDYSNWQBAT-MOSHPQCFSA-N 440.927 5.153 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 409137905 ZMYCBPXCNVVJKM-MHZLTWQESA-N 444.600 5.838 0 40 IKAB CCCN1C(=O)S[C@@H](Cc2ccc(OCc3ccc(Br)cc3)cc2)C1=O 409147323 YKQGNLIOLYNTGE-SFHVURJKSA-N 434.355 5.045 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409181825 FVAWIHYHYYYPON-UHFFFAOYSA-N 434.630 6.495 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCCCCCOc2ccccc2Oc2ncccc2C1 643578271 LAHCOSAWEGDTHU-UHFFFAOYSA-N 436.939 6.123 0 40 IKAB Cc1nc(SCC(=O)Nc2ccc(Br)cc2)c2c3c(sc2n1)CCCC3 1241725 RELMLTKZXISLCS-UHFFFAOYSA-N 448.411 5.372 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc(SCc3ccccc3Cl)nn2[C@@H]1c1ccccc1 1282916 WPMVRLFCYFJDLS-LJQANCHMSA-N 440.956 5.076 0 40 IKAB CCOC(=O)c1c(NC(=O)CCCOc2cc(C)ccc2C)sc2c1CC[C@H](C)C2 1779152 CHERNXLFNBHCIP-INIZCTEOSA-N 429.582 5.464 0 40 IKAB COc1ccc(C(=O)C[C@@H](c2ccccc2)[C@@H]2CCCCN(c3ccccc3)C2=O)cc1 2097579 LCPKZYWDWZRWST-UIOOFZCWSA-N 427.544 5.885 0 40 IKAB biogenic Cc1oc2cc(OCc3cccc4ccccc34)ccc2c(=O)c1-c1ccc(Cl)cc1 2439610 IEIPYENUUSJUTI-UHFFFAOYSA-N 426.899 7.154 0 40 IKAB biogenic Cc1ccc(-c2nnc(SCC(=O)Nc3c(C)cccc3C)n2-c2ccc(C)cc2)cc1 2443095 XUNRMWVHAVINDC-UHFFFAOYSA-N 442.588 5.899 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)OCC(=O)Nc1ccc(Cl)c(Cl)c1 3239123 RIVYYNKOUKFEFY-VIFPVBQESA-N 437.106 5.249 0 40 IKAB O=C(CSc1cccc2cccc(Cl)c12)OCC(=O)c1cccc(Br)c1 3264450 FONRPSHNUMOXGE-UHFFFAOYSA-N 449.753 5.774 0 40 IKAB Brc1ccc(CSc2nnc(-c3ccco3)n2Cc2ccccc2)cc1 3294384 MGAHMVGZLLNSSH-UHFFFAOYSA-N 426.339 5.641 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(F)c(F)c3)nnc2-c2ccccc2)cc1 3450166 GJEIOZIDNUIULN-UHFFFAOYSA-N 437.471 5.196 0 40 IKAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2OC(=O)CCN1CCCCC1 4027649 LDRSZLORBJFCJZ-OCICHSSJSA-N 427.629 5.306 0 40 IKAB biogenic CSc1ccc(/C=C2/SC(=O)N(CNc3ccc(Br)cc3C)C2=O)cc1 8451291 ZNMDOFGBBDMYBQ-LICLKQGHSA-N 449.395 5.585 0 40 IKAB O=C(c1sc2ccccc2c1Cl)N1CCN(c2c(F)c(F)c(F)c(F)c2F)CC1 8831778 KKZXXYMFUUBRSP-UHFFFAOYSA-N 446.828 5.213 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cc(OC)ccc2O[C@@H]3c2ccc(C(C)(C)C)cc2)cc1 8919656 APXHILLUAHEILA-AHKZPQOWSA-N 442.559 6.244 0 40 IKAB CC(=O)Nc1ccc(NC(=O)Cc2csc(SCc3cccc(Cl)c3)n2)cc1 8939052 OJGIRDCXYIOOSQ-UHFFFAOYSA-N 431.970 5.228 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccs2)cc1OC 9216446 HTAPSKIIIZCKDT-VGOFRKELSA-N 426.925 5.661 0 40 IKAB Cc1cccc(-c2noc(CN(C(=O)COc3cc(C)c(Cl)c(C)c3)C(C)C)n2)c1 9227092 VQKOEFCKCUJJDU-UHFFFAOYSA-N 427.932 5.131 0 40 IKAB O=C1C2=C(CCCC2)[C@@H](SCc2ccc(Cl)cc2)N1Cc1ccc2c(c1)OCO2 9246280 MIZWLDROEUIRBC-HSZRJFAPSA-N 427.953 5.541 0 40 IKAB COc1ccc(Br)c(C(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)c1 9514414 VJPWFEZHUHUJRJ-UHFFFAOYSA-N 431.355 5.759 0 40 IKAB CCn1c(SCc2csc(CC(=O)Nc3ccccc3C)n2)nnc1-c1ccccc1 9582876 RHHMEBKRLDMOHB-UHFFFAOYSA-N 449.605 5.203 0 40 IKAB CCc1ccc2ncc3c(-c4cccc(Br)c4)nn(-c4ccc(C)cc4)c3c2c1 9676137 QNYIUNYDNASPAQ-UHFFFAOYSA-N 442.360 6.874 0 40 IKAB CCCCSc1oc(-c2ccc(F)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1 9840900 XUXQXMYVAOMASX-UHFFFAOYSA-N 425.934 5.859 0 40 IKAB CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)N2C2CCCCC2)cc1 9846532 MLEGCRXYRUQWQE-HSZRJFAPSA-N 433.552 5.056 0 40 IKAB C[C@H](NC(=O)COCC(=O)N(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2 9934850 JBJJIMRSOJRSTA-IFDVCUOJSA-N 446.591 5.089 0 40 IKAB COc1ccc(NC(=O)Cc2nc(-c3ccccc3)sc2-c2ccc(C)cc2)c(OC)c1 9980754 BQTQAQSIYHNQNF-UHFFFAOYSA-N 444.556 5.984 0 40 IKAB COc1ccc(CNC(=O)Cc2c(C)c3cc4c(C(C)(C)C)coc4c(C)c3oc2=O)cc1 11867548 UZLIYLJTYCCVND-UHFFFAOYSA-N 447.531 5.321 0 40 IKAB C[C@@H](NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21)C12CC3CC(CC(C3)C1)C2 12528790 HEWXTNDLFITSOH-FRYXCQQQSA-N 442.607 5.370 0 40 IKAB Fc1ccc(OCc2nc(CSc3nc(NC4CC4)c4ccccc4n3)cs2)cc1 12552763 MTWXZJPLMXSBEC-UHFFFAOYSA-N 438.553 5.671 0 40 IKAB Cc1ccccc1NC(=O)Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1 12733071 MULIFOBHFQZECS-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB C[C@@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12925046 MMWRKTMRZJGAER-OKACTXMXSA-N 430.504 5.047 0 40 IKAB O=C(CN[C@H](c1ccc(F)cc1)c1cccs1)Nc1ccc(Br)cc1F 12926595 GCQCJSXOWOSVRC-LJQANCHMSA-N 437.309 5.107 0 40 IKAB Cc1cccc(NC(=O)c2ccccc2NC(=O)/C=C/c2ccc(Br)s2)c1 13096920 GXCKQLXZZDMCRR-ZRDIBKRKSA-N 441.350 5.723 0 40 IKAB CCn1c(Cc2ccccc2)nnc1S[C@H](C(=O)Nc1ccc(C)cc1)c1ccccc1 13115911 MKPDWTIMXONYFU-DEOSSOPVSA-N 442.588 5.669 0 40 IKAB CCN(CC)c1ccc(NC(=O)c2cc(-c3ccc(Cl)cc3)nc3ccccc23)cc1 13134008 YMAMXLDXENMYRT-UHFFFAOYSA-N 429.951 6.654 0 40 IKAB Cc1ccc(CNC(=O)CSc2nnc(-c3ccccc3F)n2C2CCCCC2)cc1 13146436 GZNBWFABVPEWAA-UHFFFAOYSA-N 438.572 5.306 0 40 IKAB Clc1ccc(OCc2nnc3sc(-c4ccc5ccccc5n4)nn23)c(Cl)c1 13655239 DFCHRQWVTSOBMM-UHFFFAOYSA-N 428.304 5.287 0 40 IKAB Cc1cc(NC(=O)c2ccc(CSc3nnc(-c4ccoc4C)o3)cc2)ccc1Cl 14076481 PWOOAHXPZRAVEN-UHFFFAOYSA-N 439.924 6.144 0 40 IKAB C[C@H](Sc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1)c1nnc(-c2ccc(F)cc2)o1 14242954 NUKKJHUCHWTQST-NEPJUHHUSA-N 442.541 5.965 0 40 IKAB Cc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)cc1C 15911086 XDCIXWDMYRMDDH-UHFFFAOYSA-N 436.512 5.239 0 40 IKAB Cc1c(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)sc2ncn(C)c(=O)c12 16303461 LYHUWGDLGOPXRF-UHFFFAOYSA-N 425.897 5.001 0 40 IKAB O=C(N[C@@H](Cc1ccccc1)c1nc2ccccc2[nH]1)c1ccc(COc2ccccc2)o1 16694340 FTKRQXNFKDMNRS-DEOSSOPVSA-N 437.499 5.449 0 40 IKAB CCOP(=O)(OCC)c1nc(-c2ccc(Cl)cc2)oc1NCc1ccc(C)cc1 16806381 JXJFSNKYBWGLMK-UHFFFAOYSA-N 434.860 5.807 0 40 IKAB Cc1ccc(NC(=S)N2CCC(C(O)(c3ccccc3)c3ccccc3)CC2)cc1C 17097186 OWGBRKACGDQVAO-UHFFFAOYSA-N 430.617 5.648 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cc3nn(-c4ccccc4)nc3cc2Cl)c1 17099296 SUEDBGRDJUDZBC-UHFFFAOYSA-N 434.927 5.523 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)N(C)Cc3nc4ccccc4s3)c2n1 18193471 TXYGPMFIJPKKCR-UHFFFAOYSA-N 446.359 5.497 0 40 IKAB Cc1ccc(Cl)cc1NC(=S)NC(=O)c1ccc(-c2ccc(Cl)cc2Cl)o1 19630599 RMFOAMBISBGJKC-UHFFFAOYSA-N 439.751 6.342 0 40 IKAB O=c1c2cnc(N3CCc4ccccc4C3)nc2ccn1-c1ccc(Oc2ccccc2)cc1 19958965 IUYHIJVBISZXFZ-UHFFFAOYSA-N 446.510 5.136 0 40 IKAB Cc1cc2nc(-c3ccc(C)c(NC(=O)c4ccc(OCC(C)C)cc4)c3)oc2cc1C 21578803 WWPBMHYZWMGPNE-UHFFFAOYSA-N 428.532 6.707 0 40 IKAB O=C(Cc1cccc2ccccc12)NC[C@@H](c1ccsc1)N1CCc2ccccc2C1 22766099 AIKBYPLEXVHZAU-SANMLTNESA-N 426.585 5.360 0 40 IKAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCc1nc(-c2ccccc2)c(-c2ccccc2)o1 23507439 TZLOLCRGIJCHAC-SFHVURJKSA-N 446.497 6.439 0 40 IKAB CCOC(=O)c1ccc(NC(=O)Nc2cc(-c3ccccc3)sc2C(=O)OCC)cc1 23603936 SPNDNZBBYVHGFG-UHFFFAOYSA-N 438.505 5.413 0 40 IKAB O[C@@H](CN1CCCc2ccccc21)Cn1c(Cc2ccc(Cl)cc2)nc2ccccc21 27694587 PDTQVBZYLJVPQG-QFIPXVFZSA-N 431.967 5.094 0 40 IKAB C[C@H](Sc1nnc(N2CCCC2)n1-c1cccc(Cl)c1)c1nc(-c2ccco2)no1 29740080 GTDHMABJBFVDIS-ZDUSSCGKSA-N 442.932 5.017 0 40 IKAB Cc1ccc(-c2nnc([C@H](C)Sc3nc(N)c4c5c(sc4n3)C[C@H](C)CC5)o2)cc1 32741636 OFZISRUMFTVDHP-OLZOCXBDSA-N 437.594 5.610 0 40 IKAB CC1CCN(C(=S)c2ccc(OCc3ccc(Br)cc3)c(Cl)c2)CC1 33711552 HKHZVFLRQCAIMU-UHFFFAOYSA-N 438.818 6.089 0 40 IKAB COc1cccc([C@@H](CNC(=O)CCc2ccccc2)c2c[nH]c3ccccc23)c1OC 36185263 MSASIEDVXKODBD-HSZRJFAPSA-N 428.532 5.066 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 38754056 QPPWZAPARASNCH-RUZDIDTESA-N 430.548 5.652 0 40 IKAB COc1ccc(NCc2nn3cc(-c4ccc(Cl)c(Cl)c4)c4c3n2CCCC4)cc1 40163770 CSBXRCYQHUTVGT-UHFFFAOYSA-N 441.362 6.067 0 40 IKAB CCn1c(COc2ccccc2C)nnc1SCC(=O)c1cn(CC)c2ccccc12 57291699 CPBMRQSVIOGFAE-UHFFFAOYSA-N 434.565 5.135 0 40 IKAB CCC(=O)N1N=C(c2c(-c3ccccc3)c3cc(C)ccc3[nH]c2=O)C[C@@H]1c1ccccc1C 58161652 GNFDMDYOOFOFTA-RUZDIDTESA-N 449.554 5.900 0 40 IKAB CCCCOc1ccc(C2=NC3(CCCCC3)N=C2SCC(=O)N[C@H](C)CC)cc1 71328085 VBBHINDJJVZNCX-GOSISDBHSA-N 429.630 5.375 0 40 IKAB COc1cccc(CC(=O)N2CCC[C@@H](c3cc(-c4cccc(OC)c4)cc(C)n3)C2)c1 72370055 KEZRDRVFUUPJDG-JOCHJYFZSA-N 430.548 5.023 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1ccc(Cl)cc1 101104905 FXOXRVIAADCBDS-LIOHBJMPSA-N 437.926 5.764 0 40 IKAB Cc1ccc([C@@H]2CC3=Nc4ccccc4N(C(=O)C4CC4)[C@@H](c4ccco4)C3=C(O)C2)cc1 101380642 VJPJZXLIGRIPPM-HRFSGMKKSA-N 438.527 6.548 0 40 IKAB COc1ccc([C@@H]2C=C(Nc3ccc(C)c(C)c3)C(=O)N2c2ccc(C)c(C)c2)cc1OC 103678092 FCWIWTUSHXFIBV-VWLOTQADSA-N 442.559 6.021 0 40 IKAB CC(C)(C)NC(=O)c1ccccc1NC(=O)c1ccc(OCCSc2ccccc2)cc1 216483758 GXKWYGMXSPXINN-UHFFFAOYSA-N 448.588 5.638 0 40 IKAB CC1(C)C[C@H](NC(=O)c2ccc(OCCSc3ccccc3)cc2)c2ccccc2O1 219265057 AFKVVNQWAVWFEY-QHCPKHFHSA-N 433.573 5.890 0 40 IKAB Cc1cccc(CC(=O)N(Cc2c(Cl)cccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 223024226 JJQJVSVCCACWQS-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCNC(=O)[C@H](Cc1ccccc1)N(Cc1ccccc1C)C(=O)CCc1ccc(C)cc1 223161194 RAVUIGHYSLMGCZ-MHZLTWQESA-N 442.603 5.012 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223511833 KZLYTWXYCMNPIG-GOTSBHOMSA-N 430.508 5.048 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C)cc1 223776766 XTNZIUUBHIFMSB-QHCPKHFHSA-N 429.004 5.305 0 40 IKAB CSc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)cc1 223996005 CSYRIHQISFWSIR-UHFFFAOYSA-N 440.590 5.387 0 40 IKAB CN(Cc1ccccc1Cl)C(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 224083865 JGXQBDBOWAYFFL-UHFFFAOYSA-N 449.359 5.066 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cccc(S(=O)(=O)N(C)c2ccccc2F)c1 224157965 CRCMPNISJIWDHC-UHFFFAOYSA-N 440.540 5.335 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1COc1ccc(Cl)cc1 224501524 NREMFAJNQBGLHW-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cccc(Cl)c1Cl 224885901 GXYWKUQNQGHVGS-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB O=C(CCc1ncc(-c2cccc(Br)c2)o1)Nc1cc(Cl)cc(Cl)c1 224886132 YKBALEHCKYBYNE-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB CCOc1ccc(S(=O)(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1Cl 225270136 IINSMFXLKOZQSR-UHFFFAOYSA-N 427.913 5.083 0 40 IKAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(OC2CCCC2)cc1 225361096 YLRXXCIVPFAFRA-VXKWHMMOSA-N 435.618 5.950 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225493754 HGLVDJIVJLZXKH-NZQKXSOJSA-N 426.626 5.118 0 40 IKAB O=C1CCCN1c1cccc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)c1 225646423 FTQRGJXZIQOKGG-UHFFFAOYSA-N 447.629 5.592 0 40 IKAB O=C(O)c1ccc([C@@H]2CCCN2Cc2cccc(Cl)c2)nc1CCCc1ccccc1 257249555 JIWRIGGUSJMXDK-VWLOTQADSA-N 434.967 5.946 0 40 IKAB COc1cc(C)c(CN2CCC(c3cncc(Nc4nc(C)cs4)n3)CC2)c(C)c1C 257251292 JQDBPKOTIDJOPH-UHFFFAOYSA-N 437.613 5.299 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)c4cc(C(C)(C)C)nn4C)C3)c2)cc1 257310820 UGTMDZMITDCRRJ-FQEVSTJZSA-N 446.595 5.116 0 40 IKAB Cc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)CCc4cc(OC(C)C)no4)C3)c2)cc1 257314864 UYVTWFPSXONPCR-FQEVSTJZSA-N 448.567 5.166 0 40 IKAB COc1ccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)cc1 408558805 VWZGPOYNRNNTDB-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB CCCOc1ccc(/C=C/C(=O)Nc2ccc(Oc3ccccc3OC)cc2)cc1OCC 408567518 OEEDCMOTXGKOSO-GZTJUZNOSA-N 447.531 6.327 0 40 IKAB CCOc1cc(C(=S)NCc2ccc(Cl)cc2)ccc1OCc1ccc(Cl)cc1 408575834 OOSXBNROIOFCJB-UHFFFAOYSA-N 446.399 6.436 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(Cl)c3)n(-c3ccc(F)cc3)n2)cc1 408696018 UZYXLPBHCYIMLS-UHFFFAOYSA-N 436.874 5.378 0 40 IKAB COc1ccccc1NC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccc(C)c(Cl)c2)n1 408696791 BWBMAOUHWPTIAP-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(-c3cccc(C)c3)n(-c3ccc(Cl)cc3)n2)c1 408699598 YCOHKTTWIJLDJS-UHFFFAOYSA-N 448.910 5.166 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3\S[C@@H](Nc4ccc(CC)cc4)NC3=O)o2)cc1 408783306 MIMJKGUTDPAGDH-GMPUOFRTSA-N 448.544 5.285 0 40 IKAB CC[C@H](C)N1C(=O)S/C(=C/c2c(OCc3ccc(F)cc3)ccc3ccccc23)C1=O 409010351 CHRUOTCDOUAUOI-YQCVNYCESA-N 435.520 6.393 0 40 IKAB CCc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2ccc(Cl)cc2)cc1 409094611 DUQAJAKAJNQGNU-UHFFFAOYSA-N 433.964 6.125 0 40 IKAB O=C(OC(c1ccccc1)c1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1 409182733 OVSCNTCQUUOTIM-UHFFFAOYSA-N 430.507 6.486 0 40 IKAB O=C(CCC(=O)c1ccc(Oc2ccccc2)cc1)Nc1nc(-c2ccccc2)cs1 409204531 IERLURURLWDDLZ-UHFFFAOYSA-N 428.513 6.204 0 40 IKAB CCOc1cc(Br)c(Br)c(-c2nc3ccccc3s2)c1O 409267332 SZQUPTFXRWASNC-UHFFFAOYSA-N 429.133 5.593 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(C(C)C)cc3)cc2)cc1 409355684 DFGHCFJWBGGKFR-UHFFFAOYSA-N 436.577 5.491 0 40 IKAB Cc1cc(C)c(NC(=O)COC(=O)c2cc(-c3ccc(C=O)o3)ccc2Cl)c(C)c1 409412314 IHORRNQWHNCZSB-UHFFFAOYSA-N 425.868 5.133 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CCC[C@H](Cc4ccc5n[nH]cc5c4)C3)c2C)cc1 585294011 HCLOZXRTYNMZLJ-OAQYLSRUSA-N 439.559 5.642 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)c2ccc3c(c2)C[C@@H](C)O3)Cc2ccccc21 643587823 OTVJRZKFFULXNT-OAQYLSRUSA-N 448.607 5.606 0 40 IKAB COC(=O)c1c(NC(=O)c2cccc(C)c2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871322 SPCZLHLZKGAJNZ-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB CCc1ccccc1NC(=O)c1ccc(OCC(=O)Nc2cc(Cl)ccc2Cl)cc1 952127 HJCYRLBIRDYOOR-UHFFFAOYSA-N 443.330 5.826 0 40 IKAB COC(=O)N1CC[C@@H](Sc2ccccc2)[C@]2(CCSc3ccccc3)CCC=C12 1623118 QUCPPNXNVVBRLL-VWNXMTODSA-N 425.619 6.466 0 40 IKAB CCCCOc1ccc(NP(=O)(Oc2cccc(C)c2)Oc2cccc(C)c2)cc1 1839817 DANHVRJBOCSYQB-UHFFFAOYSA-N 425.465 7.160 0 40 IKAB O=C(CCCOc1ccc(Cl)cc1Cl)OCC(=O)c1ccc(Br)cc1 1839871 RHIHCEKFLDFGHO-UHFFFAOYSA-N 446.124 5.341 0 40 IKAB CC(C)CCN(CCCNc1c2c(nc3cccc(Cl)c13)CCCC2)CCC(C)C 1873689 XIBRBFLOVLBTAB-UHFFFAOYSA-N 430.080 6.963 0 40 IKAB CC(=O)O[C@@H]1c2cc(C)ccc2N[C@@H](c2ccccc2OCc2ccc(F)cc2)C1(C)C 2138536 XQHGIEPSARXFNV-IZZNHLLZSA-N 433.523 6.510 0 40 IKAB COc1cc(C(=O)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc(OC)c1OC 2315539 KEYRPWNHGRTLQV-UHFFFAOYSA-N 446.503 5.896 0 40 IKAB CC(C)(C)c1ccc(OCc2ccc(C(=O)Nc3ccc(OC(F)F)cc3)cc2)cc1 2651114 YFAOMSOOAFZCON-UHFFFAOYSA-N 425.475 6.417 0 40 IKAB C[C@@H](NC(=O)c1cc(-c2cccc(Br)c2)nc2ccccc12)c1ccccc1 2740240 MMCBIMDIPNTXRJ-MRXNPFEDSA-N 431.333 6.155 0 40 IKAB CCOc1ccc(NC(=O)c2cnn3c2N[C@H](c2ccc(C)cc2)C[C@@H]3C(F)(F)F)cc1 3012805 ALAWDGDPEKPIKC-VQTJNVASSA-N 444.457 5.503 0 40 IKAB O=C(CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(C(F)(F)F)c1 3257052 YVBCSRIXLWOKJL-UHFFFAOYSA-N 439.462 5.928 0 40 IKAB CC(=O)O/N=C1/C=C2CC[C@@H]3[C@@H]4C[C@H]5CCCC[C@@]5(C(C)=O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1 4474197 LQJAXDXIQDWPOB-JZCGIWDMSA-N 425.613 6.244 0 40 IKAB O=C(CCCC(=O)NC1CCCCCCCCCCC1)NCCc1ccc(Cl)cc1 4680192 ZPPGEBWUMJDCQK-UHFFFAOYSA-N 435.052 5.959 0 40 IKAB C/C=C/c1ccc(OCC(=O)Nc2ccc(C(=O)Nc3ccccc3OC)cc2)c(OC)c1 8754807 UGVIKAKTWWNPME-QPJJXVBHSA-N 446.503 5.007 0 40 IKAB COc1ccccc1[C@@]1(CCN(Cc2ccccc2)C(=O)c2ccco2)CCOC(C)(C)C1 8762583 FNODXOBVXMXNON-NDEPHWFRSA-N 447.575 5.848 0 40 IKAB biogenic O=C(NCc1cccc2ccccc12)c1cccc(C(=O)NCc2cccc3ccccc23)c1 8767954 QYSJGSBRJNHVEZ-UHFFFAOYSA-N 444.534 5.853 0 40 IKAB O=C(c1ccccc1)c1oc2ccccc2c1C[S@@](=O)c1ccc(Cl)c(Cl)c1 8857019 NOUGAEKQDCROGD-NDEPHWFRSA-N 429.324 6.278 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@H]3c2ccc(C(C)C)cc2)cc1OC 9045640 BPXVUADICNNCFX-HOFKKMOUSA-N 428.532 6.070 0 40 IKAB Cc1ccc(-n2c(-c3ccccc3)cn3c(-c4ccccc4)c(-c4ccccc4)nc23)cc1C 9060317 KDQCNYPRGMPRFJ-UHFFFAOYSA-N 439.562 7.743 0 40 IKAB CCn1c(SCC(=O)c2ccc(Br)cc2)nnc1-c1ccc(Cl)cc1 9072322 QTDQSLNQECMGEG-UHFFFAOYSA-N 436.762 5.356 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N(C)c3ccccc3)n2C2CCCCC2)cc1 9119441 VDAMUVQTSLETOM-UHFFFAOYSA-N 436.581 5.214 0 40 IKAB Cc1c(CCC(=O)NCCc2ccc(O)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9134549 IKVTUCILQWIZKT-UHFFFAOYSA-N 447.531 5.142 0 40 IKAB Clc1ccc([C@@H]2C[C@@H](c3ccc(Br)cc3)n3c(nc4ccccc43)N2)cc1 9292694 BJYTZTREKYKEEF-FPOVZHCZSA-N 438.756 6.599 0 40 IKAB CCCCN1C(=O)c2ccccc2[C@H]1c1c(-c2ccc(Cl)cc2Cl)[nH]c2ccccc12 9355564 GANIMWIHAAMTEX-VWLOTQADSA-N 449.381 7.487 0 40 IKAB O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N1CCCc2ccccc21 9363994 NPRWIQPWPGDAFO-UHFFFAOYSA-N 426.541 6.080 0 40 IKAB COc1ccc(Cl)cc1C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12 9413983 IMNPMWBUXMBDTQ-UHFFFAOYSA-N 438.842 5.739 0 40 IKAB Cc1ccc(C)c(-c2nn([C@H](C)C(=O)N3c4ccccc4C[C@H]3C)c(=O)c3ccccc23)c1 9535136 RNDVDWSQZYBRSK-WOJBJXKFSA-N 437.543 5.219 0 40 IKAB O=C(Cc1csc(NC(=O)NC2CCCC2)n1)Nc1ccc(Oc2ccccc2)cc1 9785333 MUDBIIJHOSYPOR-UHFFFAOYSA-N 436.537 5.181 0 40 IKAB CCCCCCOc1ccc(-c2[nH]nc(-c3nc4ccccc4[nH]3)c2-c2ccccc2)cc1 12530966 HJAUIZMPXXEMMH-UHFFFAOYSA-N 436.559 7.246 0 40 IKAB COc1ccc2c(C)cc(S[C@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)nc2c1 12546904 UKBPFEXGKQSHHY-MHZLTWQESA-N 438.552 6.749 0 40 IKAB Cc1cc(Br)ccc1NC(=O)CN[C@@H](c1ccc(F)cc1)c1cccs1 12779951 YZQHLDCDHSBQLN-FQEVSTJZSA-N 433.346 5.276 0 40 IKAB C[C@H]1CCN(C(=O)COC(=O)c2ncc(Cl)c(Cl)c2Cl)c2ccccc2S1 13031370 KWVUJFVHWQFRSD-JTQLQIEISA-N 445.755 5.116 0 40 IKAB C[C@@H]1CCCN(Cn2nc(COc3ccc(Cl)cc3)n(-c3ccccc3)c2=S)C1 13063528 UICYCVNVCRPXPA-QGZVFWFLSA-N 428.989 5.325 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccccc3c2=O)cc1 13129308 ZAVHVOGEPURIQH-UHFFFAOYSA-N 443.572 5.101 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cc1NC(=O)c1ccco1 13163849 TUDBEUQHYWBVNW-UHFFFAOYSA-N 426.472 5.672 0 40 IKAB COC(=O)c1c(NC(=O)c2ccccc2C)sc(C(=O)Nc2ccc(C)cc2C)c1C 13388524 MBWBIBPIRLZJGP-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB COc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)cc1Cl 13623791 RNGGXKNIYBUWIT-WBMJQRKESA-N 440.809 5.051 0 40 IKAB Cc1ccc(/C=C2\SC(=O)N[C@@]23Oc2ccccc2[C@H]2CC(c4ccccc4)=NN23)cc1 13685316 SDFVAJIAKRPUBW-PNBITYEWSA-N 439.540 5.690 0 40 IKAB Cc1ccc(-c2nnc(-c3ccc(C(=O)Nc4ccc5c(c4)OCCCO5)cc3)o2)cc1 14199693 GBPYTEUXWBDHRR-UHFFFAOYSA-N 427.460 5.126 0 40 IKAB O=C(Nc1nc2c(s1)CN(Cc1ccccc1)CC2)C(c1ccccc1)c1ccccc1 15317948 ZJPWKPKIGMBHTF-UHFFFAOYSA-N 439.584 5.472 0 40 IKAB COc1cccc(/C=C(/C(=O)OCC(=O)c2ccc(OC(F)F)cc2)c2ccccc2)c1 15980224 TZTZTHWBJKLBGJ-PXLXIMEGSA-N 438.426 5.263 0 40 IKAB CCn1cc(C(=O)N2CCC[C@H](c3[nH]c4ccc(C)cc4c3-c3cccnc3)C2)c(C)n1 19524455 TZHSUEYQONNNKE-FQEVSTJZSA-N 427.552 5.083 0 40 IKAB CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)/C=C/c3ccc4c(c3)OCO4)c2)cc1 20043702 ZENAGLALVUIVIL-RIYZIHGNSA-N 427.500 5.596 0 40 IKAB O=C(Nc1ccc(-c2ccc(CO)o2)cc1)c1ccc(-c2ccc(Br)cc2)o1 20139848 AEZPQBUPKAXAEJ-UHFFFAOYSA-N 438.277 5.714 0 40 IKAB CC(C)c1ccc(-c2nc3cc(NC(=O)c4sc5ccccc5c4Cl)ccc3o2)cc1 20411251 DCARRPDSEWWVDE-UHFFFAOYSA-N 446.959 7.739 0 40 IKAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 20494986 WGLHYTIRNPGANK-SFHVURJKSA-N 446.547 5.651 0 40 IKAB CC(=O)Nc1cccc([C@@H](C)N(Cc2ccccc2)C(=O)[C@H]2Cc3ccccc3S2)c1 23193968 GCVJNRLDMWNOIU-IQGLISFBSA-N 430.573 5.452 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1 23328950 POXCGLSVTSLZPL-UHFFFAOYSA-N 426.894 5.166 0 40 IKAB CCCN1C(=O)c2ccccc2[C@@H]1OC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 23485133 KOBHWYVPRYIJNK-SANMLTNESA-N 437.499 5.261 0 40 IKAB CN(Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)Cc1ccccc1Br 25381101 NJPZSDWWAQLHCN-UHFFFAOYSA-N 426.236 5.150 0 40 IKAB COc1cccc(Nc2nc(CN3CCOCC3)nc3scc(-c4cccs4)c23)c1 25784584 ATVPPIFCUPCRNN-UHFFFAOYSA-N 438.578 5.004 0 40 IKAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 28206924 ZKMVDEVNVRALBO-OAHLLOKOSA-N 440.952 5.041 0 40 IKAB COc1ccc(C(=O)C[C@H](c2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1 28393733 UAEGZZAOKPLBAF-HSZRJFAPSA-N 428.937 5.445 0 40 IKAB COc1ccc([C@@H]2CCCCCN2C(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1 32461018 OEWDSUKIIYHZPM-NRFANRHFSA-N 436.581 5.069 0 40 IKAB Cc1cc(O[C@H](C)C(=O)Nc2nonc2-c2ccc3c(c2)CCCC3)cc(C)c1Cl 32594061 MZXIZSNFTNMOQE-OAHLLOKOSA-N 425.916 5.292 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)c4ccc(-c5ccc(C)c(C)c5)o4)cc3)nc2c1 33664681 BCBBHCAZBOMOQI-UHFFFAOYSA-N 436.511 7.186 0 40 IKAB CO[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@]2(C)[C@@H]3CC[C@@]23CN(C)C2(CCN(C)CC2)O3)C1 34387364 YKZPJVAZIXEHHB-ZQFLXMJHSA-N 442.688 5.087 0 40 IKAB COc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 35351033 VSJVFIFGZKEPPS-UHFFFAOYSA-N 445.346 5.940 0 40 IKAB O=C(Nc1ccc(Nc2cc(-n3ccnc3)ncn2)cc1)C(c1ccccc1)c1ccccc1 36705846 RZDBSXCTSNEAQF-UHFFFAOYSA-N 446.514 5.177 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 44916254 IEXKPGQSYYSASE-UHFFFAOYSA-N 442.603 5.395 0 40 IKAB Cc1ccc(-c2noc(-c3cn(-c4cccc(Cl)c4)c(=O)c4ccccc34)n2)cc1C 67245458 DEXHOZQEKBPAEN-UHFFFAOYSA-N 427.891 5.978 0 40 IKAB CC(=O)Nc1cccc(-c2cccc([C@@H]3CCCN(C(=O)CCCc4ccccc4)C3)n2)c1 72350362 XGNGZVWKYSTUQD-XMMPIXPASA-N 441.575 5.436 0 40 IKAB Cc1ccc2c(C)c(C(=O)N3CCC[C@H]3c3cccc(Nc4nncs4)n3)oc2c1C 72375538 ONASLWPHVBCHAA-SFHVURJKSA-N 433.537 5.325 0 40 IKAB Cc1ccc(C(c2ccc(C)cc2)C(c2ccccc2)(c2ccccc2)c2ccccc2)cc1 90377855 CPQQNCLAPPGXQK-UHFFFAOYSA-N 438.614 8.470 0 40 IKAB O=c1c2ccccc2c2c(O)nc(-c3cccc(C(F)(F)F)c3)n2n1Cc1ccccc1 102361292 NMRDBEMCKOXTKL-UHFFFAOYSA-N 435.405 5.089 0 40 IKAB O=C1S/C(=C\c2ccc(Sc3ccccc3)o2)C(=O)N1Cc1ccc(Cl)cc1 106685266 AXEZQDBNIKUMHI-PDGQHHTCSA-N 427.934 6.321 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Cl)cc3)cc2Br)cc1 106982393 IWXINPSJGUDVDA-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(CCC(=O)Nc3ccc(F)c(Cl)c3)cc2)cc1 107629805 TUDXHUWFCWMGGT-UHFFFAOYSA-N 446.931 5.160 0 40 IKAB CCCC[Sn](CCCC)(CCCC)c1ccc(C(F)(F)F)cc1 169811525 HPTXTUCJAKOFES-UHFFFAOYSA-N 435.162 6.762 0 40 IKAB O=C(Cc1noc2ccccc12)Nc1ccccc1-c1csc(-c2ccccc2F)n1 208010853 IMRMNFUOCIIUKU-UHFFFAOYSA-N 429.476 5.939 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc2c(c1)CCCC2 223008547 PAIPYOIFEBXJIQ-KRWDZBQOSA-N 428.979 5.447 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1C[C@@H]1CCCO1 223322397 KDYQFMFREVJYNW-WTOYTKOKSA-N 439.968 5.147 0 40 IKAB Fc1ccccc1-n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1Cc1ccccc1 223394895 SGIJWFQLIICUMN-BJKOFHAPSA-N 428.536 5.184 0 40 IKAB COc1ccc(/C=C(/C(=O)NCCOc2ccccc2C(C)(C)C)c2ccccc2)cc1 223668663 POTZDUJUMGUNOF-HIXSDJFHSA-N 429.560 5.729 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1 223939729 RRQYOBHNYVDDIR-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB CCOc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1COc1ccccc1C 224377186 AQUQLKOWFBUBGD-UHFFFAOYSA-N 448.538 5.074 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 224384349 IUZRSWNDDXYLNV-JWQCQUIFSA-N 430.621 6.299 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 224518442 MQRQSBXVFNOSGJ-QFIPXVFZSA-N 447.044 5.153 0 40 IKAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 224882677 STLFOQHPASTRLD-PMACEKPBSA-N 442.559 5.462 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCSc1ccc(Cl)cc1 224976634 KZDPIATYXXPAKO-ZWKOTPCHSA-N 433.017 5.154 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cc(C)cc(C)c1 225346389 DMVOPCGMBZCNMJ-QZTJIDSGSA-N 449.422 5.485 0 40 IKAB O=C(CCc1c(Cl)cccc1Cl)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225357560 KHBQATADWJGGGD-UHFFFAOYSA-N 432.734 6.449 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 225550264 CPTKDIGLEVXHNU-NVQXNPDNSA-N 436.640 5.773 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1ccc(C)cc1 225643433 HHZNTIGCDHZAKP-AUSIDOKSSA-N 444.616 5.089 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CCN(C(=O)CCc2ccccc2F)C1 257264426 LUHWHJZDDMQUAP-SFHVURJKSA-N 438.568 5.127 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)[nH]c2c1 257281377 OOXACZKEXFBNAJ-LJQANCHMSA-N 433.939 5.728 0 40 IKAB O=C1CCCC[C@]2(CN(C(=O)c3ccccc3-c3ccccc3)C[C@H]2c2ccc(F)cc2)N1 257302603 SDNQPAGFPWOEGL-LBNVMWSVSA-N 442.534 5.161 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2C(C)C)cc(Cl)c1OCC 408620169 KSZAVSSVTQOQMA-UHFFFAOYSA-N 440.765 6.276 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3cccc(Br)c3)nc2-c2ccccc2)c1 408698031 LGMLVDXKLBZBTI-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB Cc1cc(C)cc(NC(=O)c2cc(-c3cccc4ccccc34)n(-c3ccccc3C)n2)c1 408724560 LXJKBWUFKUUYJD-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CC[C@@H](C)N1C(=O)S/C(=C/c2c(C)n(Cc3ccc(Cl)cc3)c3ccccc23)C1=O 409019434 JDLHSNKQCXLABK-IKMPRTQCSA-N 438.980 6.486 0 40 IKAB CCc1ccc(N(CC(=O)Nc2cc(Cl)ccc2C)S(=O)(=O)c2ccccc2)cc1 409027767 DWNDMCFYQNMLHK-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccccc2OCc2ccc3ccccc3c2)C1=O 409104625 GBXYKOOKJORSHX-CAUNFOBBSA-N 447.512 5.017 0 40 IKAB CCOc1cc(Br)c(/C=C2\C(=O)Nc3cc(C(F)(F)F)ccc32)cc1OC 409106776 UGORNQHNCYPGBE-MLPAPPSSSA-N 442.231 5.368 0 40 IKAB CCOc1cc(C[C@H]2SC(=O)N(CC)C2=O)cc(Cl)c1OCc1ccccc1F 409144170 INNAQNOYQSDMDO-GOSISDBHSA-N 437.920 5.083 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2cccc(OC)c2o1 409348694 ONFAFCBGZAMFNG-UHFFFAOYSA-N 436.537 5.067 0 40 IKAB Cc1sc2ncnc(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2c1C 710213 SALJEQIIIQVYHC-UHFFFAOYSA-N 431.892 5.711 0 40 IKAB O=C(CSc1nc2ccc(Br)cc2[nH]1)c1ccc(Br)cc1 834017 BGMYDIKCGCLXMV-UHFFFAOYSA-N 426.133 5.063 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 986431 NTBPDHSLMONGNB-UHFFFAOYSA-N 429.369 5.056 0 40 IKAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)c3ccc(Br)cc3)ncnc12 1035459 VCVURYCOVWNUFI-UHFFFAOYSA-N 444.379 5.594 0 40 IKAB CCSc1nc2sc3c(c2c2nnc(SCc4ccc(OC)cc4)n12)CCCC3 1240726 PGCZCQZXIIYENU-UHFFFAOYSA-N 442.635 5.631 0 40 IKAB CCOC(=O)c1c(NC(=O)[C@H](Sc2ccccc2)c2ccccc2)sc2c1CCC2 1895640 ODAXARQMSKBSIX-OAQYLSRUSA-N 437.586 5.886 0 40 IKAB COc1ccc(-c2c3c(nc4sc5c(Cl)ncnc5c24)C(=O)c2ccccc2-3)cc1 2150707 VRXFJVBJUUGACZ-UHFFFAOYSA-N 429.888 5.780 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2cccc(Cl)c2)n1-c1ccccc1 2217853 KDAYIORWXCSPEI-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB C[C@@H]1C[C@@H](Nc2ccccc2)c2ccccc2N1C(=O)Nc1ccc(Cl)c(Cl)c1 2261787 YVKCGDJIQAMRDG-QVKFZJNVSA-N 426.347 6.977 0 40 IKAB CN(C)c1ccc([P@@](=O)(OC2CCCCC2)[C@@H](O)c2ccc(Cl)cc2Cl)cc1 2399520 PKROHIDRSCZJDZ-LYZGTLIUSA-N 442.323 6.003 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccco3)oc2SCC(=O)c2ccccc2)cc1 2461067 HYMYHQLTOPBYHN-UHFFFAOYSA-N 439.514 5.051 0 40 IKAB C[C@H](NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F)c1ccccc1 2474716 MCDMIBHTTQBFAB-LNSITVRQSA-N 438.837 5.281 0 40 IKAB O=C(Nc1ccc(OCc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(Cl)nc1 2557697 DOKNYPDHQVJKEK-UHFFFAOYSA-N 442.224 5.634 0 40 IKAB COc1ccc(OC)c(-c2csc(NC(=O)CCSc3ccc(Cl)cc3)n2)c1 2624604 QZKYDLJTOHDMKW-UHFFFAOYSA-N 434.970 5.602 0 40 IKAB O=C(Nc1cc(Cl)ccc1Cl)c1cc(-c2ccc(Cl)s2)nc2ccccc12 3280100 XWAXXBCGFYKMKM-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB Fc1ccc(Nc2nc(CSc3ccc(Cl)cc3)nc3sc4c(c23)CCC4)cc1 3365420 CCIRDGCNRTYHKM-UHFFFAOYSA-N 441.984 7.008 0 40 IKAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3sc4ccccc4c3Cl)o2)cc1 3367534 UGPNJBZMSYAMGW-GFCCVEGCSA-N 429.954 6.032 0 40 IKAB O=S(=O)(N[C@@H](CNc1ccc2c(c1)CCC2)c1ccccc1)c1ccc(Cl)s1 3412636 WZMJAIPFZIJGMG-IBGZPJMESA-N 432.998 5.022 0 40 IKAB CCN(CC(=O)Nc1ccccc1OC)c1ncnc2scc(-c3ccc(C)cc3)c12 3429269 XKRNYNVEQRRNOI-UHFFFAOYSA-N 432.549 5.140 0 40 IKAB C/C(=C\c1ccccc1)c1nc2ccc(Br)cn2c1Nc1c(C)cccc1C 4789120 WVRVZPWXQXBFLC-NBVRZTHBSA-N 432.365 7.018 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@H](C1)C(=O)O[C@H]1[C@H]2CC[C@]2(C)[C@@H]([C@H](C)CCCC(C)C)CC[C@@H]12 5104372 RWMSDNFAXBDHCY-YNUSSJJESA-N 446.672 6.555 0 40 IKAB O=c1ncn(Cc2cccc(C(F)(F)F)c2)cc1-c1ncc(C(F)(F)F)cc1Cl 8782067 GCBIWERRSGWHBX-UHFFFAOYSA-N 433.739 5.045 0 40 IKAB COc1ccc(OC)c(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Cl)c1 8916296 CJZMPURLCAVLCW-UHFFFAOYSA-N 429.929 5.000 0 40 IKAB Cc1ccccc1NC(=O)N(O)[C@@H]1N(c2ccccc2C)C(=O)N(CCC(C)C)C1(C)C 8926373 PSMWGZMFZMYGTH-QFIPXVFZSA-N 438.572 5.620 0 40 IKAB CC(=O)C1=NN(c2ccccc2C)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 9064984 UCPJMNJQVOHISH-RUZDIDTESA-N 426.545 5.505 0 40 IKAB Cc1ccc(C)c(N(Cc2cc3ccc(C)cc3[nH]c2=O)C(=O)c2ccccc2Cl)c1 9076249 MUXUHXCXHIGVMA-UHFFFAOYSA-N 430.935 5.954 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3ccc(F)cc3)sc2c1 9187349 ZJIQORAYCPIRLV-OAQYLSRUSA-N 442.471 5.600 0 40 IKAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@@H]1c1ccc(Cl)cc1Cl 9391130 FNOIYRLEHJLQCY-IBGZPJMESA-N 436.795 6.250 0 40 IKAB O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(-c2nc3cccnc3s2)cc1 9403946 CFCACDDGAVWSIB-UHFFFAOYSA-N 430.316 5.683 0 40 IKAB Cc1cc(Cl)ccc1OCC(=O)Oc1cc(-c2ccccc2)c2oc(=O)sc2c1 9408843 KZCDZVDGBZZNSB-UHFFFAOYSA-N 426.877 5.468 0 40 IKAB COc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2c(F)cccc2Cl)cc1O 9410177 NDOKHBSVIMEILZ-UHFFFAOYSA-N 440.858 5.955 0 40 IKAB CCCOc1cccc(C(=O)Nc2ccc3oc(-c4cc(F)c(F)cc4Cl)nc3c2)c1 9425611 LRISMGHJJDIWSI-UHFFFAOYSA-N 442.849 6.468 0 40 IKAB Cc1sc2ncn(CC(=O)c3ccc(Br)s3)c(=O)c2c1-c1ccccc1 9428965 LUGNKRMEZYDZCB-UHFFFAOYSA-N 445.363 5.140 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(Cl)c2)N1c1nc2ccccc2s1 9452328 KWAUSZBUDBOTJE-FQEVSTJZSA-N 444.899 5.806 0 40 IKAB O=C(Nc1ccc(-n2nncc2-c2ccc(Br)cc2)cc1)c1cccs1 9489834 NGKQXGLEDGIJCA-UHFFFAOYSA-N 425.311 5.011 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2Cc2ccc(C)o2)cc1 9667300 VPDIXFWGAPITQU-NDEPHWFRSA-N 432.523 6.790 0 40 IKAB COc1ccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)cc1OC 9886323 BWYLGUXVGJLYSZ-UHFFFAOYSA-N 449.557 5.107 0 40 IKAB CCCOc1ccc(OCCS[C@H](C)C(=O)Nc2c(Cl)cccc2Cl)cc1 9911022 VWRYQDRQMBMPRG-CQSZACIVSA-N 428.381 5.921 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2ccccc2Cl)cc1)c1cccc(Cl)c1 10337084 WFBIISRDDFYRMM-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OCC)cc4)=NN23)cc1 12194077 KMFYGZYUQZOHCZ-VPUSJEBWSA-N 428.532 6.116 0 40 IKAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc2noc(-c3ccc(Cl)cc3)c2c1 12274503 VSWFEJGVMREIRC-UHFFFAOYSA-N 447.857 5.429 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2-c2nc(-c3ccccc3)no2)cc1OCC 12412125 FEGQCHAFQXEYSD-UHFFFAOYSA-N 429.476 5.453 0 40 IKAB COc1cc(-c2nnc(-c3ccccc3)cc2-c2nc3ccccc3[nH]2)cc(OC)c1OC 12506161 UYKPWONLBRLWSK-UHFFFAOYSA-N 438.487 5.380 0 40 IKAB Cc1ccc(-c2c(C)sc3nc(CSCc4ccc5c(c4)OCO5)[nH]c(=O)c23)cc1 12569716 KIIWFEMJDUQXEA-UHFFFAOYSA-N 436.558 5.431 0 40 IKAB C[C@H](Sc1ncc(-c2ccc(Br)cc2)[nH]1)c1nnc(-c2cccs2)o1 12573549 ISDMZGTXKYBWGO-JTQLQIEISA-N 433.356 5.804 0 40 IKAB O=C(CN(Cc1cccs1)C[C@@H]1CCCO1)Nc1cc(C(F)(F)F)ccc1Cl 12913047 WNQQHNWRMMSTIL-AWEZNQCLSA-N 432.895 5.040 0 40 IKAB CN(C)c1cccc(C(=O)Nc2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 13072043 YOAHRQQXUWXOME-UHFFFAOYSA-N 427.426 5.276 0 40 IKAB O=C(CCCc1nc2ccccc2s1)Nc1ccc(-c2nnc3n2CCCCC3)cc1 13112734 HABSQTBOPPTDKU-UHFFFAOYSA-N 431.565 5.243 0 40 IKAB CCn1c(C)cc(C(=O)CSc2nnc(-c3ccoc3C)n2Cc2ccccc2)c1C 13117391 QQCZQQFKFGSKLN-UHFFFAOYSA-N 434.565 5.308 0 40 IKAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ncnc2sc(-c3ccccc3)cc12 13117857 RVFLTLRTJPPRJQ-UHFFFAOYSA-N 437.590 5.765 0 40 IKAB Clc1cccc(-c2noc(CSc3nnc(Cc4cccs4)n3C3CC3)n2)c1 14076956 ANKHCPVJASETAT-UHFFFAOYSA-N 429.958 5.261 0 40 IKAB Cc1ccc2c(Cl)c(C(=O)Nc3ccccc3C(=O)Nc3c(C)n[nH]c3C)sc2c1 14404736 BYTMZWGAUZZBAW-UHFFFAOYSA-N 438.940 5.708 0 40 IKAB Cc1ccc(NC(=O)Nc2ncc3c(n2)C[C@@H](c2ccc(C(C)(C)C)cc2)CC3=O)cc1 16293118 KTKSZVDMRVUPCU-GOSISDBHSA-N 428.536 5.639 0 40 IKAB O=C(NC(=S)Nc1ccc(C(F)(F)F)cc1Cl)c1ccc(Cl)cc1Cl 17095605 ISUZZNBQHOXYTR-UHFFFAOYSA-N 427.662 5.792 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@@H](c4cc5nc(C(F)(F)F)ccc5[nH]4)C3)[nH]c2c1 19221774 BVVJUVDOTUCPSC-OAHLLOKOSA-N 426.442 5.391 0 40 IKAB CCCC(=O)Nc1nc2ccc(NC(=O)c3cccc(OCc4ccccc4)c3)cc2s1 19643701 UNWPRLVQDCIVJR-UHFFFAOYSA-N 445.544 5.866 0 40 IKAB Cc1nnc2n1C[C@@H](c1cccc(C(=O)NCc3cccc(Oc4ccccc4)c3)c1)CC2 19698228 MWKKOBATRCKJNF-QHCPKHFHSA-N 438.531 5.039 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=S)NC(=O)CSc1ccc(Cl)cc1 20153747 SCJMVHUTULBGMC-UHFFFAOYSA-N 446.981 5.006 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccccc3)nc2c1 20609910 JHPHBBLIQIYDQU-CYBMUJFWSA-N 427.291 5.133 0 40 IKAB CCOc1ccc(-n2nc3ccc(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 20610267 IXAZGIUNRLOPQM-UHFFFAOYSA-N 438.940 5.203 0 40 IKAB Cc1ccc(OCCSc2nc3ccc(NC(=O)CCc4ccccc4)cc3s2)cc1 20895148 CVUNGRCIGHOHES-UHFFFAOYSA-N 448.613 6.347 0 40 IKAB C[C@H](NC(=O)CCc1ncc(-c2ccc(F)cc2F)o1)c1ccc(Cl)c(Cl)c1 21409761 KIGSSRKGMBRNCC-NSHDSACASA-N 425.262 5.737 0 40 IKAB CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccccc1C(=O)N[C@@H](C)c1ccccc1 22510443 VNULVQGADOAOLE-VQTJNVASSA-N 430.548 5.707 0 40 IKAB O=C(Nc1ccccc1Cc1ccccc1)C1CCN(c2ccc(C(F)(F)F)cn2)CC1 25746862 OCEYUKVDJPVUDH-UHFFFAOYSA-N 439.481 5.546 0 40 IKAB Cc1occc1-c1nnc(S[C@H](C)c2nc(-c3cccs3)no2)n1-c1ccccc1 26040379 NLANHTKHBVZRRD-CQSZACIVSA-N 435.534 5.801 0 40 IKAB Cc1cccc(N2C(=O)[C@@H](Cc3ccccc3)n3c(-c4ccc(C(C)(C)C)cc4)nnc32)c1 26532363 KKGFJPAFPGVSFA-XMMPIXPASA-N 436.559 6.013 0 40 IKAB CC1(C)[C@@H](C(=O)N[C@@H](Nc2ccc(F)cc2)C(=O)c2ccccc2)[C@@H]1C=C(Cl)Cl 27015796 IFWQEPZBUQMECD-ILZDJORESA-N 435.326 5.154 0 40 IKAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)C1 27243354 QEPUGEQXCPUPIX-KRWDZBQOSA-N 442.437 5.456 0 40 IKAB COc1ccc(-c2nc(CCNC(=O)c3oc4ccc(Cl)cc4c3C)cs2)cc1 27993649 MQPIJABNNKOIBL-UHFFFAOYSA-N 426.925 5.499 0 40 IKAB COc1ccc2nc(NC(=O)/C=C/c3ccc(OCc4ccccc4)c(OC)c3)sc2c1 28048226 KJNCCXUCXLWIAU-UKTHLTGXSA-N 446.528 5.544 0 40 IKAB O=C(NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1cccc(F)c1 32126575 GYAYQDGUMKUNTL-UHFFFAOYSA-N 441.487 5.914 0 40 IKAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccccc1-c1nc(-c2ccc(C)cc2)no1 32622908 SJPROWOBAXLMEV-KRWDZBQOSA-N 429.476 5.127 0 40 IKAB CCCOc1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)c2cccnc12 32623687 GOJQVFGSYCEURF-UHFFFAOYSA-N 439.309 6.093 0 40 IKAB COc1cccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4ccccc4)sc3c2)c1 33000422 QSDSZKNWRREEQF-UHFFFAOYSA-N 449.557 5.288 0 40 IKAB CCc1ccc([C@@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2c2ccc(C(=O)O)cc2)cc1 35147322 IDFKSAPYOGZHOE-RUZDIDTESA-N 437.499 5.396 0 40 IKAB COc1ccccc1NC1=NC(=O)/C(=C/c2ccc(-c3c(Cl)cccc3Cl)o2)S1 35648075 KSNPOQCJJPGWHL-WQRHYEAKSA-N 445.327 6.344 0 40 IKAB CC[C@H](C(=O)Nc1ccc(C)c(Cl)c1)n1ccc(C(=O)Nc2ccc(C)c(Cl)c2)n1 36617872 XNJJKNZTHFJFFZ-HXUWFJFHSA-N 445.350 5.649 0 40 IKAB Cc1sc2nc(S[C@@H](C)C(=O)N3c4ccccc4C[C@H]3C)n(C(C)C)c(=O)c2c1C 36636654 DNPJSQRUUWFKIJ-CJNGLKHVSA-N 441.622 5.114 0 40 IKAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)c1 44882613 NPQFLEXVRQPBES-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)cc1C 67206937 DLDORXZRBIKFAP-UHFFFAOYSA-N 427.367 5.806 0 40 IKAB CC[C@H](C)n1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2cc(C)[nH]c2c1=O 67239214 XUECKUIVQNNZFZ-NSHDSACASA-N 439.368 5.042 0 40 IKAB Cc1nc2ccc(C(=O)N3CCC[C@@H](c4cccc(-c5ccc(F)cc5)n4)C3)cc2nc1C 72356484 SLCIKVZMYXYNIO-OAQYLSRUSA-N 440.522 5.468 0 40 IKAB O=C(N[C@@H](CO)C(c1ccccc1)c1ccccc1)OCC1c2ccccc2-c2ccccc21 86040396 GTQJPGCIQDBNDB-NDEPHWFRSA-N 449.550 5.718 0 40 IKAB O=C(CSc1ccc(F)cc1)Nc1ccccc1Cc1nc(-c2cccs2)no1 96119751 QIAHTDQQRGBHBE-UHFFFAOYSA-N 425.510 5.259 0 40 IKAB CCN(CC)C(=O)C[C@H]1CC2(CCN(C(=O)Nc3cccc(C)c3)CC2)Oc2ccccc21 96243250 FDFOVFULAYTANN-NRFANRHFSA-N 449.595 5.186 0 40 IKAB CCCc1noc([C@@H](C)SC2=N/C(=C/c3ccccc3)C(=O)N2c2ccc(F)cc2)n1 97002865 LZJRVRFCGSWAEH-WBFOAEISSA-N 436.512 5.399 0 40 IKAB N=c1c2c(-c3ccccc3)c(-c3ccccc3)n(Cc3ccco3)c2ncn1Cc1ccco1 100802404 MXJJZHGJNKGDIC-UHFFFAOYSA-N 446.510 5.934 0 40 IKAB aggregator COC(=O)c1cn(C(=O)COc2ccc(C(C)C)cc2Br)c2ccccc12 222610789 VISKWCLNTWFQFX-UHFFFAOYSA-N 430.298 5.033 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccc(F)cc1 222703155 LRQVAVXUBHRMFG-HXUWFJFHSA-N 439.358 5.007 0 40 IKAB C[C@@H](C(=O)NC(C)(C)C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223129074 UCCVTAWYTAJRDE-NRFANRHFSA-N 430.592 5.147 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 223140412 IAFRZXHNRFCOKX-GJZGRUSLSA-N 439.358 5.007 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccccc1 223194687 SCHZLCDQASDNOO-SFHVURJKSA-N 433.017 5.156 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1cccc(S(=O)(=O)Nc2ccc(F)cc2)c1 223966521 LEZLUNJCRHBEGG-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3c3ccccc3)o2)cc1Cl 224184918 FLGQOQSXUBZRHB-BJKOFHAPSA-N 445.975 6.481 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(Br)cs2)cc1C 224257066 QXUGGBZOONSQHV-RTBURBONSA-N 444.423 5.700 0 40 IKAB CCc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(C3CCCCC3)c2)cc1 224352217 XBLVMCHGXBZMDE-DQEYMECFSA-N 430.621 6.128 0 40 IKAB CC[C@H](NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1)c1ccccc1C 224366622 VVGZCNXPUKBORC-DEOSSOPVSA-N 436.577 5.091 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)Nc3ccc(C)c(Cl)c3)cc2)cc1 224423548 QCUMXPQJZJUCJM-UHFFFAOYSA-N 442.968 5.030 0 40 IKAB Cc1ccc(OCCNC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)cc1C 224539226 ZRZITBYYZOPSOM-UHFFFAOYSA-N 435.395 5.017 0 40 IKAB CSc1ccccc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 224541735 OYRJUXAAZIQBDQ-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB O=C(CCc1ncc(-c2ccc(Br)cc2)o1)Nc1ccc(Cl)cc1Cl 224876963 WIRJXBJCAAZBRO-UHFFFAOYSA-N 440.124 5.982 0 40 IKAB COc1ccc(NC(=O)CCc2ncc(-c3cccc(Br)c3)o2)cc1Cl 224887569 MPJAEHKVFPWWMR-UHFFFAOYSA-N 435.705 5.337 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccccc1Cl 225095526 SGLBEKLYLHKZMA-RTBURBONSA-N 447.044 5.214 0 40 IKAB CCOc1ccc(C2(NC(=S)Nc3ccc(Br)c(C)c3)CCCC2)cc1 225854070 AOVGAMIXWOHPHU-UHFFFAOYSA-N 433.415 5.912 0 40 IKAB COc1cc(Oc2ccccc2)nc(NC(=S)NCC2(c3ccccc3)CCCC2)n1 225970297 KPCDJCGHCVIKKR-UHFFFAOYSA-N 434.565 5.076 0 40 IKAB CCOC(=O)/C=C/c1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 226336332 XXWQENAVFTZLTB-RMKNXTFCSA-N 425.706 5.266 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2ccc(Cc3ccc(Cl)cc3)cn2)C1 257250270 JLVGBOWJNCLSQS-OAQYLSRUSA-N 443.978 5.756 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccccc1OC 408557997 RJAOFGUZAWIVGZ-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(Cl)cc3Cl)nn2-c2ccc(F)cc2)c1 408693593 AOMFXTPYWSPSCZ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB CCOc1c(Br)cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1OC 408818915 PKTBSCMOHVDGCG-WJDWOHSUSA-N 434.311 5.097 0 40 IKAB Cc1ccc(C)c(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)c1 408973945 RBSCRGFJBDNERZ-AREMUKBSSA-N 430.573 5.372 0 40 IKAB COc1ccc2c(c1)-c1nc(NC(=O)C(c3ccccc3)c3ccccc3)sc1CC2 409050931 DPPXKRCICSCYNK-UHFFFAOYSA-N 426.541 5.688 0 40 IKAB O=C1S/C(=C/c2cccc(Oc3nc(Cl)ncc3F)c2)C(=O)N1Cc1ccccc1 409156726 GVMZWQJOKQMDMH-LICLKQGHSA-N 441.871 5.298 0 40 IKAB Cc1ccc(C(=O)OCc2ccc(Cl)c(Cl)c2)cc1N1C(=O)c2ccccc2C1=O 409181100 WJRHJQULTPFQBF-UHFFFAOYSA-N 440.282 5.459 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 409327809 NIFNIWGHLLZTDK-UHFFFAOYSA-N 440.956 5.483 0 40 IKAB CCc1ccc(-c2cc(C(=O)NCc3ccco3)c3cc(Br)ccc3n2)cc1 648469 MXXUXFHKUKUOIJ-UHFFFAOYSA-N 435.321 5.750 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2F)sc2nc3c(c(C(F)(F)F)c12)CCCC3 664044 PUBICAWVWIICCY-UHFFFAOYSA-N 427.398 5.307 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@@H](C)Oc2ccc(Br)cc2Br)c1 682578 DMZDSSIXTVCWSK-GFCCVEGCSA-N 427.136 5.234 0 40 IKAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccccc3F)c3ccccc32)cc1 1320549 HZVMPAWGOGNNRP-HHHXNRCGSA-N 431.507 5.131 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3F)cc12 1371651 OEJDJTXAYGGAEV-UHFFFAOYSA-N 435.524 5.580 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1sc2c(c1C(N)=O)CCCCC2 1850033 AGKAUURXWOPQSL-BQYQJAHWSA-N 439.364 5.083 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CCCOc1ccc(C)cc1 1903870 DSRCIIPNIHULMA-UHFFFAOYSA-N 437.561 6.006 0 40 IKAB Cc1cc(OCc2nc3ccccc3s2)ccc1NC(=O)Nc1cccc2ccccc12 2184380 FOJBGKIQCAHXOM-UHFFFAOYSA-N 439.540 6.981 0 40 IKAB Cc1nc(-c2ccccc2)sc1-c1csc(Nc2nc(-c3ccccc3)cs2)n1 2192940 QIZOQROAPBWFHA-UHFFFAOYSA-N 432.599 7.109 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(Cc2cccs2)n1-c1ccc(C)cc1 2241053 OFCOOINAQDZQGE-UHFFFAOYSA-N 448.617 5.521 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccc(C)cc1 2247814 MJSKBPDWCJQFAD-YADHBBJMSA-N 444.585 5.930 0 40 IKAB Clc1ccc(-c2nc(Oc3ccc(-c4ccccc4)cc3)c3ccccc3n2)cc1Cl 2268675 NFXPDAHVRCTLHZ-UHFFFAOYSA-N 443.333 8.063 0 40 IKAB Cc1ccc(-c2csc3ncnc(SCC(=O)Nc4ccc(F)cc4F)c23)cc1 2355704 QSEOKROBFKABIS-UHFFFAOYSA-N 427.501 5.676 0 40 IKAB c1ccc2c(c1)CC1(CCCCC1)c1c-2ncn2nc(COc3ccc4ccccc4c3)nc12 2445294 RWWAPCMFTHLGPE-UHFFFAOYSA-N 446.554 6.282 0 40 IKAB CCN(CC)c1ccc2cc(-c3nc(-c4cc(Cl)ccc4OC)cs3)c(=O)oc2c1 3073019 JLALEEODLCHJSQ-UHFFFAOYSA-N 440.952 6.092 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccccc4Cl)c3s2)s1 3203431 UGWCZROVQJHDFH-UHFFFAOYSA-N 445.953 5.539 0 40 IKAB O=C(CSc1nc2ccccc2s1)Nc1ccccc1Sc1ccc(Cl)cc1 3267497 DCPYQJATWXOWMA-UHFFFAOYSA-N 443.018 6.832 0 40 IKAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Oc3ccccc3)cc2)n1Cc1ccccc1 3408542 PXFPPSOMPLCYKE-SFHVURJKSA-N 444.560 5.546 0 40 IKAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccccc1 3457144 SLWCUHBOOSXZLL-INIZCTEOSA-N 426.973 5.081 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc(C(C)C)nc3sc4c(c23)CCCC4)c1 4218038 POYAISXYBDAPEN-UHFFFAOYSA-N 425.623 6.041 0 40 IKAB CCCCCC1CCC(c2ccc(-c3ccc(C4CCC(CC)CC4)cn3)cc2N)CC1 4891631 QDYNBQQGPVMCGI-UHFFFAOYSA-N 432.696 8.869 0 40 IKAB CCOC(=O)c1c(C)oc2c1cc(NS(=O)(=O)c1ccc(CC)cc1)c1ccccc12 8425975 QLDHLSMOUMEYBV-UHFFFAOYSA-N 437.517 5.434 0 40 IKAB C[C@@H](Oc1ccc(F)cc1)c1nnc(SCC(=O)c2ccc(Br)s2)o1 8849885 ZRYARIMZSIPKIZ-SECBINFHSA-N 443.319 5.148 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)OC3CCCCC3)cc2)cc1Cl 8904154 CLMDGBGQKWFAKM-UHFFFAOYSA-N 430.957 5.265 0 40 IKAB CC(C)(C)[C@@H]1CCc2sc(-c3nnc(CSc4nnc5ccccn45)o3)cc2C1 9222618 BZQCCAMBYTWRJV-CQSZACIVSA-N 425.583 5.284 0 40 IKAB Clc1ccc([C@@H]2Oc3ccccc3C3=C2[C@H](c2cccnc2)N2N=CNC2=N3)c(Cl)c1 9290928 VIAJQASPXKGQNU-VXKWHMMOSA-N 448.313 5.193 0 40 IKAB Cc1ccc([C@@H]2c3c(C)nn(-c4cccc(Cl)c4)c3Oc3ncn4nc(C)nc4c32)cc1 9451659 BZUZWTCWFHSDQP-HXUWFJFHSA-N 442.910 5.175 0 40 IKAB COc1ccccc1C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1 9632004 WRYMAOXRNQFPEY-UHFFFAOYSA-N 427.595 5.419 0 40 IKAB CN(C)C(=O)[C@@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 9647772 RVJTVNDESUUXMA-QFIPXVFZSA-N 446.551 5.054 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)Nc1ccc2c(c1)OCO2 9684130 HFZWIAYLKUSZJU-HNNXBMFYSA-N 429.501 5.145 0 40 IKAB CSCC[C@H](NC(=O)COc1ccccc1-c1ccccc1)c1nc2ccccc2[nH]1 9715923 WCPSUEPORFTZHA-QFIPXVFZSA-N 431.561 5.219 0 40 IKAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1C(=O)c1cc(C)ccc1C 10218510 LMYOIOPRDJYTBX-UHFFFAOYSA-N 429.516 5.201 0 40 IKAB O=C(Nc1ccccc1SCc1ccc(Cl)cc1)c1ccc(-c2ccccc2)cc1 10542821 PZXTWAGTRIFYEK-UHFFFAOYSA-N 429.972 7.552 0 40 IKAB O=C(c1ccccc1Br)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 10543132 AOODAOFZYAMFQC-UHFFFAOYSA-N 435.774 5.732 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@H]21 12196468 AHUSSJIDWJMZJW-AUSIDOKSSA-N 434.517 5.176 0 40 IKAB Cc1ccccc1C(=O)N(C)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CC2)cs1 12237245 CPRDHBXICDKFNG-UHFFFAOYSA-N 431.561 5.084 0 40 IKAB Cc1ccc(-c2nnc(CSc3nnc(Nc4ccccc4)n3-c3ccccc3)o2)o1 12462521 XLOGLUYDMGSPBC-UHFFFAOYSA-N 430.493 5.255 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2C2CCCCC2)cc1 12519992 LLXAQVAFLADALI-MRXNPFEDSA-N 436.581 5.619 0 40 IKAB CCOc1ccc2nc(S[C@@H](C(=O)Nc3ccccc3OCC)c3ccccc3)[nH]c2c1 12546549 FEWHMLGCQGCHDC-HSZRJFAPSA-N 447.560 5.832 0 40 IKAB C[C@@H]1CN([C@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c2ccccc2)C[C@@H](C)O1 12620833 JWVCPRQCIKOFRB-LPMFXHHGSA-N 426.866 5.148 0 40 IKAB COc1cc(C(=O)N(Cc2ccccc2)[C@H](C)Cc2cccs2)cc(OC)c1OC 12768338 GVSCBJOWSRYBRN-QGZVFWFLSA-N 425.550 5.048 0 40 IKAB CCOc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2ccco2)c2ccccc2)cc1 13025551 KVLLHIGXAYZMAV-XMMPIXPASA-N 432.520 5.125 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1C1CCCCC1)N[C@H]1CCCc2ccccc21 13121460 OHGBRUDWCXSABY-FQEVSTJZSA-N 436.581 5.329 0 40 IKAB CCCCOc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC 16262194 ISPNURWRHOHFRQ-QFIPXVFZSA-N 441.959 5.171 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1ccccc1N1CCCC1 17095312 WANLSWNBMPPBGT-FMIVXFBMSA-N 427.331 6.506 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3ccc(Br)c(C)n3)o2)cc1Cl 17097705 ZEBMRJKTRYJTOJ-UXBLZVDNSA-N 431.717 6.026 0 40 IKAB CC1=C(CC[C@@H](C)CNCc2ccc(OCCCN3CCCCC3)cc2)C(C)(C)CCC1 17148012 DJXWAVCRKORMMK-XMMPIXPASA-N 440.716 6.974 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 20049160 CNJXQNMQJDFYQH-XMMPIXPASA-N 428.488 5.159 0 40 IKAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20110171 UTWXYEIYDIUEGI-HHHXNRCGSA-N 442.603 5.395 0 40 IKAB COc1cc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)ccc1-c1ccc(CO)o1 20144731 XUFGCHDFHBVLLT-LBPRGKRZSA-N 436.291 5.160 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1 20239780 NSVLWHFUCASAKX-XMMPIXPASA-N 436.964 5.675 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1 20461664 MPLULVWYTCQXNM-UHFFFAOYSA-N 442.968 5.736 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)cc1 20610649 PLRXTXSUHBYJPH-SFHVURJKSA-N 428.536 5.974 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cc(C)cc(C)c2)c2ccc(C)cc2C)cc1 22275372 OCZYYZQEAQCCOA-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1occc1-c1nnc(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)n1C 23075000 QSMCKHBJWGZULB-UHFFFAOYSA-N 439.953 5.860 0 40 IKAB Cc1noc2nc(-c3ccccc3C(F)(F)F)cc(C(=O)N(Cc3ccco3)C3CC3)c12 29270687 IQQNSBPVZXQJJH-UHFFFAOYSA-N 441.409 5.615 0 40 IKAB Cc1cccc(OCC(=O)NC(=S)Nc2ccc3oc(-c4ccccc4F)nc3c2)c1C 32124545 XOPVGQUNYLSODP-UHFFFAOYSA-N 449.507 5.143 0 40 IKAB CC(C)(C)c1cc(/C=C2/SC(=O)N(c3cccc(Cl)c3)C2=O)cc(C(C)(C)C)c1O 33655222 GXPVFAQUTPHERP-XDHOZWIPSA-N 443.996 6.882 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1cccc(Cl)c1Cl 34933254 HKZHVODOALRKIM-UHFFFAOYSA-N 445.689 5.700 0 40 IKAB CCCOc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@H]2C1=O 35185286 NIFSJXVZMQZQRL-CIMSBJEKSA-N 437.539 5.718 0 40 IKAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl)c1ccc2ccccc2c1 35263698 KIQBDSJAMNYMOG-UHFFFAOYSA-N 426.859 5.546 0 40 IKAB O=S(=O)(c1ccc(Cl)cc1)c1nc(-c2ccccc2Cl)oc1NCc1ccco1 39404200 FUKHJSZEWKCSRA-UHFFFAOYSA-N 449.315 5.686 0 40 IKAB Cc1sc2nc(CN3CCCC3)nc(SCc3nc(-c4cccs4)no3)c2c1C 40067217 GRMCAZKPRFKRPV-UHFFFAOYSA-N 443.623 5.308 0 40 IKAB COc1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cc(Br)c1O 40161460 NGMPTFBEXKYJQF-WQLSENKSSA-N 434.311 5.178 0 40 IKAB C[C@@H](C(=O)O)N(C(=O)OCC1c2ccccc2-c2ccccc21)c1ccc2ccccc2c1 44563790 JRLIJKIBIOLJJK-SFHVURJKSA-N 437.495 6.068 0 40 IKAB CCN(CC)C(=O)c1cnc2nc(C)ccc2c1Nc1ccc(C)cc1Br 49005537 MCEADJDBYKCEFW-UHFFFAOYSA-N 427.346 5.235 0 40 IKAB COc1ccc(-c2noc(-c3cc4ccccc4o/c3=N\c3cc(Cl)ccc3C)n2)cc1 57354731 ZQMLBJYPRYSFFB-PNHLSOANSA-N 443.890 6.353 0 40 IKAB Cc1ccc(CN2COc3c(cc4c(C)c(Cc5ccccc5)c(=O)oc4c3C)C2)cc1 58088571 HGJHYTKJOCPUGX-UHFFFAOYSA-N 425.528 5.661 0 40 IKAB biogenic Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCCCOc1ccc(Cl)cc1Cl 60185590 ZEQHSCVOQPJILG-UHFFFAOYSA-N 438.742 5.340 0 40 IKAB COc1ccc(-c2cc(=O)oc3c(C)c4c(cc23)CN(Cc2cccc(Cl)c2)CO4)cc1 61997626 XRUJGPSJCIHTDR-UHFFFAOYSA-N 447.918 5.783 0 40 IKAB biogenic Cc1nn(CC(C)C)c(C)c1CCC(=O)N[C@H]1CCCc2nc(-c3ccccc3)sc21 62580983 UGHGFLMZBZYQDP-NRFANRHFSA-N 436.625 5.406 0 40 IKAB O=C(COc1ccccc1-c1ccccc1)N1CCCC[C@H]1c1nc2ccccc2s1 69591795 DTQVMLCKBBBPAT-QFIPXVFZSA-N 428.557 6.096 0 40 IKAB Cc1ccsc1CN1CCC[C@H]([C@H](NC(=O)CCc2ccccc2)c2ccccn2)C1 72330552 HKPWKVCNGBNTTD-NVQXNPDNSA-N 433.621 5.154 0 40 IKAB Clc1ccc(C2=C[C@@H](c3ccc(OCc4ccccc4Cl)cc3)n3ncnc3N2)cc1 101402679 RUAXQGASXFYRHZ-QHCPKHFHSA-N 449.341 6.220 0 40 IKAB C[C@@H](NC(=O)c1cc2n(n1)[C@H](C(F)(F)F)C[C@H](c1ccccc1)N2)[C@H]1C[C@@H]2CC[C@@H]1C2 101531113 SPFMYGMPPCZEPK-OXLVELEXSA-N 432.490 5.098 0 40 IKAB C[C@@H](NC(=O)CSc1nnc(-c2ccc(F)cc2)c2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102315895 AEOILEPKDWLZRG-QKZPVBNUSA-N 435.568 5.469 0 40 IKAB O=C1/C(=C/Nc2ccc(Cl)c(Cl)c2)c2ccccc2C(=O)N1c1cccc(Cl)c1 103005062 PIQZRLVPSVCOOV-LDADJPATSA-N 443.717 6.287 0 40 IKAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 195530934 QSMHPGJPYFOXON-VXBUVIRBSA-N 448.401 5.827 0 40 IKAB O=C1S/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccc(I)cc1 215212839 WUGSDPAUGIQMIV-VDHUBAETSA-N 447.297 5.084 0 40 IKAB CC[C@@H](NC(=O)CN1c2ccc(C)cc2-c2ccccc2S1(=O)=O)c1ccc(C)c(C)c1 219163554 OUSDQQLNZDLFET-HSZRJFAPSA-N 448.588 5.055 0 40 IKAB Cc1ccc(CN(C(=O)Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222783031 VISLIAXOCMFVGQ-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)cc(C)c1 223329887 ATOQJNUZLLZQLB-SFHVURJKSA-N 449.422 5.486 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 223913447 FOFQVLBEOBHQNC-QGZVFWFLSA-N 449.422 5.603 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2)cc1 224177370 BFAGVIMRONNRJS-LOSJGSFVSA-N 440.572 5.448 0 40 IKAB CCc1ccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1 224239835 BWSJMWYZGIEHQP-UHFFFAOYSA-N 442.968 5.288 0 40 IKAB CCOc1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1COc1cccc(C)c1 224387259 NFWXOUIDYJTFFO-UHFFFAOYSA-N 443.587 6.068 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(COc3ccc(OC)cc3)c2)cc1 224601032 JYPWPBWKTCKOCE-UHFFFAOYSA-N 449.503 5.102 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3ccc(Br)cc3)o2)cc1 224941477 PKYNJQDWVJRGTJ-UHFFFAOYSA-N 447.332 6.586 0 40 IKAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccc(Cl)cc1C(=O)c1ccccc1 225798014 FALVQBCIZZBAJI-UHFFFAOYSA-N 449.869 5.331 0 40 IKAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCCCCC2)n1)NC1CCCCC1 226008965 FYDYIWLISAULMG-UHFFFAOYSA-N 425.602 5.268 0 40 IKAB C[C@]1(NC(=O)C2CCCC2)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2)C1 257206074 BBSFOOCKUGJZSL-ZDXQCDESSA-N 432.391 6.651 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]([C@H](C)[C@H](O)CCC(C)C)CC[C@H]32)C1 257350323 WICQHKDZHVVRAU-KDPPRCQCSA-N 444.700 6.930 0 40 IKAB CCN(c1ccc(C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1)S(=O)(=O)c1ccccc1 260565734 SRVFQANOVQIYPI-HXUWFJFHSA-N 436.577 5.010 0 40 IKAB Cc1ccc(Sc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)cc1 408536384 ZFLKFYHUHYMRIK-QJOMJCCJSA-N 431.582 6.425 0 40 IKAB Fc1cccc(COc2c(Cl)cc(CNc3ccc(F)c(Cl)c3)cc2Cl)c1 408613736 ZUWSWEWLDPSMSO-UHFFFAOYSA-N 428.693 7.116 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Oc3cccc(OC)c3)cc2)cc(Cl)c1OC 408623267 RYABFIMFOOIRBM-UHFFFAOYSA-N 427.884 5.801 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccccc3OCc3ccccc3F)S2)cc1 408783422 LGAGBVMHSCDVSG-GJFKPFFXSA-N 434.536 5.567 0 40 IKAB COc1cccc(/C=C2\N=C(c3sc4c(Cl)c(OC)ccc4c3Cl)OC2=O)c1C 408972646 QGKFVDAMRNTCQI-LCYFTJDESA-N 448.327 5.878 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1Cl 409099883 MNBABJMOJBDTTR-UHFFFAOYSA-N 428.989 5.218 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccncc2)n1-c1cccc(C)c1 409101980 CEUMFDPVQXDSBY-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB CCCOc1c(I)cc(CNc2ccc(C)cc2C)cc1OC 409115483 MMTXRLYHRUSFIF-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3cccc(Cl)c3)c(OCC)c2)c2ccccc21 409116855 MELTZTIXDZZMEO-KQWNVCNZSA-N 447.962 6.615 0 40 IKAB Cc1cccc(C2=N/C(=C\c3ccccc3OC(=O)/C=C/c3ccc(Cl)cc3)C(=O)O2)c1 409191088 SDWLLSXQICBBQL-CEFCJMCMSA-N 443.886 5.612 0 40 IKAB CCC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](COc3ccccc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585264546 GQTWHKIEUDBCEZ-HIGZBPRKSA-N 438.564 5.771 0 40 IKAB COc1ccccc1-c1cc(-c2cc(C)ccc2OCC(=O)O)nn1Cc1ccccc1 585264815 PEUVMYUBPJECJD-UHFFFAOYSA-N 428.488 5.046 0 40 IKAB COc1ccc(-c2ccc(C(=O)O)c(CCc3ccccc3)n2)c(OCc2ccccc2)c1 585265910 UNXITMOLNBJQDK-UHFFFAOYSA-N 439.511 5.820 0 40 IKAB CCN(CC)C(=O)COc1cccc([C@@H]2OC[C@@H](c3ccccc3Cl)C[C@H]2C(C)C)c1 585295316 UQVADEHYJTWXCZ-CHZKFRDHSA-N 444.015 6.105 0 40 IKAB C[C@@H]1O[C@@H]2c3cc(-c4ccc(C(=O)O)cc4)ccc3OC(C)(C)[C@H]2C[C@H]1c1ccccc1 2037873676 YZNPCMRBKDKMGU-HEIHPFCESA-N 428.528 6.473 0 40 IKAB CN(Cc1ccccc1)C(=O)C1CCN(Cc2cccc(OCc3ccccc3)c2)CC1 785865 GWYRCAQGGDWYDK-UHFFFAOYSA-N 428.576 5.136 0 40 IKAB Cc1nn(-c2ccccc2)c2nc3oc(C(=O)c4ccccc4)c(N)c3c(-c3ccccc3)c12 1016658 XBBINPLWAIAMIQ-UHFFFAOYSA-N 444.494 5.955 0 40 IKAB Cc1ccc2cc(CN(C[C@H]3CCCO3)C(=O)Nc3ccc(Cl)cc3)c(=O)[nH]c2c1C 1378344 YEPXJIBFXQREMU-OAQYLSRUSA-N 439.943 5.011 0 40 IKAB CCOC(=O)c1ccc(NP(=O)(Oc2ccccc2F)Oc2ccccc2F)cc1 2291657 CPSIKUWPLMKRRK-UHFFFAOYSA-N 433.347 5.820 0 40 IKAB CC1(C)Cc2nc3sc4c(SCc5ccccc5Cl)ncnc4c3cc2CO1 2387821 XCKLSLQZJJTDAQ-UHFFFAOYSA-N 427.982 6.037 0 40 IKAB O=c1c(-c2ccc(Br)cc2)coc2cc(OCc3ccc(Cl)cc3)ccc12 2667554 YGEUYHXGZGKDLX-UHFFFAOYSA-N 441.708 6.455 0 40 IKAB biogenic C[C@H]1C[C@@H](Nc2ncnc3c2c(-c2ccccc2)cn3-c2ccc(F)cc2)CC(C)(C)C1 2714789 OOYFYQMWQFXQDH-GHTZIAJQSA-N 428.555 6.853 0 40 IKAB Cc1cc(NC(=O)c2ccc(C(=O)N(C3CCCCC3)C3CCCCC3)cc2)cc(C)c1O 2750230 MEWFFUCCXNBRME-UHFFFAOYSA-N 448.607 6.369 0 40 IKAB Fc1ccc(OCc2ccccc2-c2nnc(S)n2-c2cccc3ccccc23)c(F)c1 2791460 MSCFFEWSHXSLTQ-UHFFFAOYSA-N 445.494 6.233 0 40 IKAB Cc1cc(C)n(CCc2nc3c4ccccc4nc(SCc4ccccc4Cl)n3n2)n1 2969213 BYGSDUTUNZYYSQ-UHFFFAOYSA-N 448.983 5.279 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2cc3c(C)nn(-c4ccc(Cl)cc4)c3s2)s1 3238872 GTYJKZPTHQWLFC-UHFFFAOYSA-N 445.953 5.539 0 40 IKAB O=C(Nc1ccc(Cl)cc1C(=O)c1ccccc1F)c1cncc(Br)c1 3364220 RJAWIWCIFKVPLC-UHFFFAOYSA-N 433.664 5.120 0 40 IKAB CC12CC3(C)CC(C)(C1)CC(C(=O)Nc1ccc(C45CC6CC(CC(C6)C4)C5)cc1)(C2)C3 4075803 TUBYNFYSUVGWSO-UHFFFAOYSA-N 431.664 7.480 0 40 IKAB CC1(C)CC[C@]2(C)CC[C@]3(C)C4=C(CC[C@@]3(C)[C@H]2C1)[C@@]1(C)CC[C@@H](O)C(C)(C)[C@@H]1CC4 4083905 MCSMMGJCXCBSKD-WDAICYRGSA-N 426.729 8.313 0 40 IKAB CCCCN(CCCC)C[C@H](O)c1cc(-c2ccc(Cl)cc2)nc2cc(C)ccc12 5837766 VPALBSZUBPFIFX-SANMLTNESA-N 425.016 6.799 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(-c2ccc(F)cc2)nc2ccc(F)cc12 6860736 NVWMUUUDYLPTON-UHFFFAOYSA-N 435.499 5.868 0 40 IKAB COc1ccc(C2=NN(c3nc(-c4ccc(Cl)cc4)cs3)[C@H](c3ccco3)C2)cc1 6924914 XDNKPCQDRHHQNH-NRFANRHFSA-N 435.936 6.421 0 40 IKAB COc1ccc(CCC(=O)NCCc2csc(-c3ccc(C(F)(F)F)cc3)n2)cc1 8601266 HODWRMNVZQOUFF-UHFFFAOYSA-N 434.483 5.129 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)cc1 8656866 CBQQSPIKWJXYMZ-NRFANRHFSA-N 425.532 5.334 0 40 IKAB COc1ccccc1-n1c(SCCCC(=O)c2cccs2)nnc1N1CCCCC1 8720806 MKIBHOYUKBEIHM-UHFFFAOYSA-N 442.610 5.083 0 40 IKAB COc1cc(C(=O)N(C)Cc2cccs2)cc(Br)c1OCc1ccccc1 8729178 VVQWPDQMVSTHBU-UHFFFAOYSA-N 446.366 5.370 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3ccc4c(c3)CCCC4)c3ccccc32)c1 8927836 KEQGRVXOSQAORA-LJAQVGFWSA-N 439.555 5.190 0 40 IKAB CCOC(=O)c1c(CSc2ccc(CC)cc2)n(C)c2cc(Br)c(O)cc12 8951203 FWQRZWCSRYHELS-UHFFFAOYSA-N 448.382 5.678 0 40 IKAB O=C(NC(=S)Nc1ccc2oc(-c3ccccc3F)nc2c1)c1ccc(F)cc1Cl 9190373 BWSZUWNDFLRNJV-UHFFFAOYSA-N 443.862 5.553 0 40 IKAB CCN(CC)c1ccc2cc(C(=O)Nc3nc(-c4ccc(C)cc4)cs3)c(=O)oc2c1 9246673 PKXQYVMZRLPGAH-UHFFFAOYSA-N 433.533 5.323 0 40 IKAB Cc1c(CC(=O)Nc2ccc3c(c2)OCO3)c(=O)oc2cc3occ(C(C)(C)C)c3cc12 9430007 BDXAJULGGVAEPV-UHFFFAOYSA-N 433.460 5.055 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccc(COCC(F)(F)C(F)F)cc2)cc1 9526083 BTHHBBQURPMXRC-UHFFFAOYSA-N 433.467 5.202 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CSc2nnc(Cc3ccccc3)o2)c1 9585720 RPEWJAFPVROCQI-UHFFFAOYSA-N 429.545 5.294 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1)c1ccc(F)cc1Cl 9668127 WGJOPTLYBLDBIQ-UHFFFAOYSA-N 426.344 5.250 0 40 IKAB Cc1cc(OCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)cc(C)c1Cl 9669088 VPMMRQRVXPVOAA-UHFFFAOYSA-N 440.893 5.983 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1ccccn1)c1nc2ccccc2s1 9716994 MDSIYSWSKSNALH-UHFFFAOYSA-N 430.352 5.362 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)N(C)[C@H](C)c2nc3ccccc3s2)n1 9863410 KKADRPUQSTXSCJ-MRXNPFEDSA-N 434.590 5.373 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(Cc3csc(C)n3)o2)c2ccc(C)cc2)cc1 9953317 RXWFZZRVJGIUIK-JOCHJYFZSA-N 435.574 5.758 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccc(Cc2ccncc2)cc1 11561074 GMPWYUQBSVSKHL-UHFFFAOYSA-N 431.717 5.106 0 40 IKAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)NC12CC3CC(CC(C3)C1)C2 12375348 MTYZPLVCQKNKPY-UHFFFAOYSA-N 438.955 5.056 0 40 IKAB Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3N3CCOCC3)cs2)c(C)c1 12606377 RVLWKRSLAVUDJV-UHFFFAOYSA-N 441.984 5.098 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1 12849813 ZXCVNDGQEWBFFS-UHFFFAOYSA-N 429.303 5.463 0 40 IKAB COc1ccc(NC(=O)c2ccc(CN[C@H](Cc3ccccc3)c3ccccc3)cc2)cc1 12928399 IVGPWCARMREURN-MUUNZHRXSA-N 436.555 6.021 0 40 IKAB CCOc1ccc(C(=O)[C@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 13138217 WQOHLAASCKXGJE-AWEZNQCLSA-N 430.957 5.393 0 40 IKAB O=C(/C=C/c1ccccc1)N1N=C(c2ccccc2)C[C@@H]1c1ccc(Br)cc1 13534201 IJIOAXVDNUOUDM-UUFSLDAJSA-N 431.333 5.840 0 40 IKAB Cc1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)c(C)c1 13713369 LIEWMCGEEMYSGL-VABKMULXSA-N 432.907 5.008 0 40 IKAB COc1cccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2C[C@@H]2CCCO2)c1 13942491 OIIDYAJILYHOFN-CCLHPLFOSA-N 438.527 5.568 0 40 IKAB Cc1cccc(N(Cc2ccccc2)C(=O)CN(C)CC(=O)Nc2c(C)cc(C)cc2C)c1 14201391 DOKSEHPBUNFWEZ-UHFFFAOYSA-N 443.591 5.024 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1ccc(-c2cccc(Cl)c2)o1 14270768 MNNCYOIMUASMDV-UHFFFAOYSA-N 448.356 5.990 0 40 IKAB COc1ccc(OCC(=O)Nc2cc(-c3nc4cc(C(C)C)ccc4o3)ccc2OC)cc1 14272343 WAPGOPJSWFTJGG-UHFFFAOYSA-N 446.503 5.653 0 40 IKAB COc1cc(CNCCc2ccccc2F)ccc1OCc1c(Cl)cccc1Cl 16196266 XBLNPRIFZQJLKT-UHFFFAOYSA-N 434.338 6.052 0 40 IKAB COc1ccc(-c2nn(CC(=O)Nc3ccc(C)cc3)c(=S)n2-c2ccccc2C)cc1 16769279 IAJZVPRPRJGTFV-UHFFFAOYSA-N 444.560 5.334 0 40 IKAB Cc1cc(C)c2nc(NC(=O)c3cccc(-c4cc5ccccc5oc4=O)c3)sc2c1 17094883 SKWGULXXLMCOGA-UHFFFAOYSA-N 426.497 5.939 0 40 IKAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 17096122 SDIMWTLLRVZXPY-UHFFFAOYSA-N 428.598 5.063 0 40 IKAB COC(=O)c1ccc(Cn2nc(-c3cccc(OC)c3)c(C)c2-c2cccc(OC)c2)cc1 19636069 GEMFTDMVXHNLGL-UHFFFAOYSA-N 442.515 5.378 0 40 IKAB CC(C)NC(=O)c1sc2ccccc2c1[C@H]1CN(Cc2ccnc3ccccc23)CCO1 19696786 UWJOUIUVXBZGRX-JOCHJYFZSA-N 445.588 5.161 0 40 IKAB Cc1nc([C@]2(O)CCCN(CC(C)(C)C)CC2)sc1CCOc1ccc(F)c(F)c1 19738748 ZWGUCVYAQBWNRD-QHCPKHFHSA-N 438.584 5.071 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3c4ccccc4C[C@H]3C)cc2Cl)cc1 20048685 WEUHLOMETCPAGC-MRXNPFEDSA-N 440.952 5.041 0 40 IKAB Cc1ccccc1[C@@H](NC(=O)COc1cc(C)c(Br)c(C)c1)c1ccccc1 20492721 BWWPRCOYKQGVKO-DEOSSOPVSA-N 438.365 5.659 0 40 IKAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)CNc1ccccc1C(=O)Nc1ccccc1 24756577 QXJDQBONOQZYBE-QGZVFWFLSA-N 444.560 5.180 0 40 IKAB COc1ccc2oc(C(=O)N3CCN(C(c4ccccc4)c4ccccc4)CC3)c(C)c2c1 24764361 FOXGQIGYVLXEEV-UHFFFAOYSA-N 440.543 5.297 0 40 IKAB Cc1nc(-c2cccnc2)sc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 28210399 DFTQISFIAISPEB-UHFFFAOYSA-N 433.920 5.650 0 40 IKAB Cc1ccc(-n2ncc([C@H](C)NC(=O)CCc3ncc(-c4ccccc4F)o3)c2C)cc1 31563666 FKHDVNPGRFAEEC-KRWDZBQOSA-N 432.499 5.093 0 40 IKAB COc1ccc(C(=O)Nc2cc(-c3nc4ccccc4o3)ccc2C)cc1Br 32109676 KNSOWXYIOIWVTG-UHFFFAOYSA-N 437.293 5.827 0 40 IKAB Cc1cc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc2c1N(C)S(=O)(=O)c1ccccc1-2 33272046 STZKYAQIWJACMK-UHFFFAOYSA-N 446.450 5.072 0 40 IKAB CCCOc1c(Br)cc(C(=O)NCc2cccc3ccccc23)cc1OCC 33662637 QAXLLCUDWKYIIX-UHFFFAOYSA-N 442.353 5.720 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Br)[C@H](c3ccccc3)C2)cc1 35061777 WAPXVSRYLDJVAD-QFIPXVFZSA-N 435.321 5.449 0 40 IKAB CC(C)Oc1ccc(C(=O)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)cc1 35086434 KEHODYVMWMSGFE-UHFFFAOYSA-N 433.891 6.153 0 40 IKAB O=C(CNc1ccc2oc3ccccc3c2c1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 39972116 NVNWJKINZRAHSR-JOCHJYFZSA-N 442.515 5.523 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(CSc2ccccc2)cc1 44841889 AJFGGLPQLOUPQC-VWLOTQADSA-N 427.569 6.928 0 40 IKAB Cc1ccc(-c2cc(C(=O)N(Cc3ccccn3)C(C)C)c3cnn(C(C)C)c3n2)s1 48300612 GNKPAUBTUBOHJB-UHFFFAOYSA-N 433.581 5.495 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)NCc1ccc(-c2nc3ncccc3o2)cc1 57333577 HLXNBTVRJSNDCD-UHFFFAOYSA-N 441.531 5.633 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2ccccc2Cl)cc1 71328011 RTVMAPGWQAWHGW-UHFFFAOYSA-N 444.000 5.828 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)c3ccccc3)cc2C(F)(F)F)cc1 78623870 VMKSKKAWBKSMDJ-UHFFFAOYSA-N 434.439 5.067 0 40 IKAB COc1ccccc1[C@@H]1C=C(c2ccc(F)cc2)Nc2nc(-c3ccc(Cl)cc3)nn21 100817198 BFMIZRKVKNDFSX-NRFANRHFSA-N 432.886 5.802 0 40 IKAB FC(F)(F)c1cccc(-c2nnc(C34C[C@@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)o2)c1 102444035 KXTSFVVLADRLES-BHRWCRGXSA-N 449.864 5.247 0 40 IKAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1nn(Cc2c(F)cccc2Cl)cc1Br 102644159 LFXJNFCJVQGAAZ-RWMBFGLXSA-N 440.744 5.251 0 40 IKAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(NC(=O)C4CCCCC4)cc3)C2=O)cc1C 113563807 SFDQQEIGKUXRKU-JOCHJYFZSA-N 436.577 5.246 0 40 IKAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 113958805 IQEFWZFCLBGLQZ-LJAQVGFWSA-N 438.615 5.949 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]4(O)CCc4ccccc4)[C@@H]3CC[C@@H]2C1 118915001 OSYGNEOCCSKLON-TVPNUPDRSA-N 438.652 6.325 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)Nc1ccccc1Oc1ccccc1 218854299 ZHUYSDZAFLSBDZ-UHFFFAOYSA-N 432.701 5.912 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 222601211 GWGPGWKGRPLXAB-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)c2ccccc2I)c2ccccc2O1 222633105 RUERTFOCXAEKAG-QGZVFWFLSA-N 435.305 5.104 0 40 IKAB COc1cc(C)c([C@@H](C)NC(=O)C2CCN(Cc3ccccc3Cl)CC2)cc1C(C)C 223349139 HTDQVKLUPLVQPY-LJQANCHMSA-N 443.031 5.870 0 40 IKAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCc1cccc2ccccc12 223557435 MGRCSAOALFCUOT-QFIPXVFZSA-N 430.592 5.149 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223975761 OHSVPRFGSMPVDH-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1C 224262930 CSYDCAXSOHNUJG-DQEYMECFSA-N 439.588 5.370 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1cc(N(C)S(=O)(=O)c2ccccc2)ccc1Cl 224332155 BLUCAWUSCUIHQT-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cccc(NC(=O)c2cc(N(C)S(=O)(=O)c3ccc(Cl)cc3)ccc2Cl)c1 224346064 RAWMTRNFEAAFFC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 224443574 CVABTFNWTLGMBI-VXKWHMMOSA-N 449.942 5.237 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)NCc1cccc(CN2CCCCC2)c1 224695927 MVDRMNBNQFBYLH-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCCc1ccccc1 225370610 XZGQICVNXBROLW-UHFFFAOYSA-N 441.358 5.537 0 40 IKAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccccc4)CCCCC3)cc2)C1 225534701 ZIDYAOMGDXSQIO-HSZRJFAPSA-N 434.624 6.028 0 40 IKAB CC1(C)C[C@H](NC(=S)Nc2ccc(CSc3ccccc3)cc2)c2ccccc2O1 225576855 DEPCNCJVMBHSQD-QFIPXVFZSA-N 434.630 6.568 0 40 IKAB O=C(Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl)c1ccccc1Br 226287770 BBPNXZFYPRLTRN-UHFFFAOYSA-N 441.712 5.515 0 40 IKAB Cc1nc(Nc2cccc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n2)sc1C 257249427 JIHDTKFQODWKOD-JOCHJYFZSA-N 431.565 5.020 0 40 IKAB COc1cccc(CNC(=O)c2ccccc2NC(=O)c2ccc(Cl)cc2Cl)c1 408614757 HHMYCHLTXZITSO-UHFFFAOYSA-N 429.303 5.184 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(C)c3C)nc2-c2ccc(F)cc2)cc1 408698239 MOGSFJYGJHLFIO-UHFFFAOYSA-N 430.483 5.341 0 40 IKAB CCCCCOc1ccc(NC(=O)C(=O)NCC(c2ccccc2)c2ccccc2)cc1 408707722 CWMAKFKPOXFWKK-UHFFFAOYSA-N 430.548 5.142 0 40 IKAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 408985649 OGFYJYFMRBROMI-GJZGRUSLSA-N 448.573 5.145 0 40 IKAB CCc1cccc(C)c1NC(=O)C1CCN(C(=O)c2ccc(-c3ccccc3)cc2)CC1 409093313 ZYKURTCOQKGPTM-UHFFFAOYSA-N 426.560 5.715 0 40 IKAB Cc1ccc(COc2ccc(C[C@H]3SC(=O)N(Cc4ccc(F)cc4)C3=O)cc2)cc1 409149326 BOMSZTUTAIZJAH-HSZRJFAPSA-N 435.520 5.520 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc(COc2ccc(Br)cc2)cc1 409174811 VLYPDCRABVMITK-UHFFFAOYSA-N 432.317 6.434 0 40 IKAB O=C(CCn1ccnc1)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643569521 ZLXVFOOTHOZAPY-UHFFFAOYSA-N 444.623 5.663 0 40 IKAB C[C@@H](NC(=O)CN1CCO[C@@H](c2ccccc2C(F)(F)F)C1)c1cccc2ccccc12 1615056242 WADRGKUSGUGSIB-UZUQRXQVSA-N 442.481 5.109 0 40 IKAB CCCC[C@H](CC)CC(=O)c1cc2c(Br)sc(Br)c2s1 1776011017 QZYRUTKULCUYRF-VIFPVBQESA-N 438.250 7.277 0 40 IKAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)C[C@@H](Oc1ccc(F)cc1)CO2 1848355651 ASXMWRIHTNULAG-HSZRJFAPSA-N 431.507 5.335 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)c(C)c2)nnc1-c1ccc(Br)cc1 686667 PPDPJRXCJCTMJV-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB COC(=O)c1c(NC(=O)c2ccc(C)cc2)sc(C(=O)Nc2cc(C)cc(C)c2)c1C 871408 UIMATWKRRVSZSU-UHFFFAOYSA-N 436.533 5.273 0 40 IKAB Cc1cccc(C)c1NC(=O)[C@@H](C)Sc1nnc(-c2cccnc2)n1Cc1ccccc1 900251 JLAHMPDXOLESRQ-LJQANCHMSA-N 443.576 5.125 0 40 IKAB COc1ccc(-c2csc(N(C)C(=O)c3c(C)nn(-c4ccccc4)c3Cl)n2)cc1 929071 VLFJFCPAWSMZOY-UHFFFAOYSA-N 438.940 5.243 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(C(=O)Nc3ccc(F)cc3)C3CCCCC3)cc2c1 1327643 QIIMBQFHMMYXTK-UHFFFAOYSA-N 437.515 5.433 0 40 IKAB O=c1c(Oc2ccccc2Br)coc2cc(OCCc3ccccc3)ccc12 1769144 PRQWOOLLRVQJGM-UHFFFAOYSA-N 437.289 5.969 0 40 IKAB Cc1cc(Br)ccc1N1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1 2112881 OYXZHZQBQIUFNE-UHFFFAOYSA-N 448.316 5.887 0 40 IKAB biogenic CC(C)n1nc(-c2ccccc2)c2c(-c3ccccc3)n(-c3cccc(Cl)c3)nc2c1=O 2181163 GORPGKXVDCPGAN-UHFFFAOYSA-N 440.934 6.151 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)OCC(CC)CC)c3nc4ccccc4nc32)cc1 2374041 AVYFDZXKYQAWNZ-UHFFFAOYSA-N 444.579 6.092 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(Cc2ccc(Cl)cc2)c2nc3ccccc3nc12 2380117 PZXGKWBPIYNSJA-UHFFFAOYSA-N 436.943 5.461 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nccs1)C3=O 2404429 QWMRZTMWVPPNHB-QGZVFWFLSA-N 443.311 5.615 0 40 IKAB CCOc1ccc([C@H](c2c(NC(=O)c3ccccc3)sc(C)c2C)N2CCCCC2)cc1 2546391 DBZPIAHPFCUAOO-RUZDIDTESA-N 448.632 6.591 0 40 IKAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)[C@@H](Sc1nncs1)c1ccccc1 2618837 YITMIORGFVBKIO-AWEZNQCLSA-N 429.876 5.682 0 40 IKAB Fc1ccc(CNc2ncnc3c2c(-c2ccccc2)cn3-c2cccc(Cl)c2)cc1 2715128 ZHOWPIJDKQDKAG-UHFFFAOYSA-N 428.898 6.492 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)c1c(Cl)cccc1Cl 3267568 OHVGJHMWMIXAHM-UHFFFAOYSA-N 434.344 6.459 0 40 IKAB CC[C@H](C)c1ccccc1NC(=O)CSc1nnc(COc2ccccc2Cl)o1 3337794 BAHBDEZPUNHUBE-AWEZNQCLSA-N 431.945 5.546 0 40 IKAB COc1ccc(-c2nnc(SCc3nc4ccccc4nc3C)n2C2CCCCC2)cc1 3356749 SQAYXLSYELCMHH-UHFFFAOYSA-N 445.592 6.003 0 40 IKAB Cc1ccc(N(CCC(=O)Nc2ccc(C)c(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1 3422888 DHIMATPQYNQSEU-UHFFFAOYSA-N 436.577 5.144 0 40 IKAB CC1(C)CCC[C@@]2(C)[C@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@]3(C)CC[C@H](O)C(C)(C)[C@@H]3CC[C@]21C 4097019 BFNSRKHIVITRJP-VJBYBJRLSA-N 428.745 8.249 0 40 IKAB endogenous,in-man Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc3oc(-c4ccc(C)cc4C)nc3c2)c1 4122973 XBDCMYQBVJATGO-UHFFFAOYSA-N 429.545 5.855 0 40 IKAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3n2CCOc2ccccc2)CC1=O 6134457 MYKYUPZYUSCLKH-HXUWFJFHSA-N 441.531 5.035 0 40 IKAB CCCOc1ccc(-c2nonc2NC(=O)c2oc3ccc(C)cc3c2C)cc1OCCC 8612518 GTCOWHUKSHAGPT-UHFFFAOYSA-N 449.507 5.930 0 40 IKAB CCOc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 9047215 NYBMQQHHEBKUAR-UHFFFAOYSA-N 429.472 5.185 0 40 IKAB biogenic Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2cccc(Cl)c2Cl)ccc1C 9355981 ACWLKPGWSOHMKZ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCOc1ccccc1Oc1c(-c2ccc(OCc3cccc(OC)c3)cc2O)n[nH]c1C 9410105 QTRYPEFGDUWPMF-UHFFFAOYSA-N 446.503 5.869 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cnn(Cc4ccc(Cl)cc4Cl)c3)no2)cc1 9597830 SLUJOBSTSXJCCS-UHFFFAOYSA-N 443.290 5.154 0 40 IKAB Cc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1C 9607339 ROUAXJJMQAHHAP-OAQYLSRUSA-N 432.911 5.918 0 40 IKAB CCOc1ccc(-c2nc(COC(=O)CCc3c[nH]c4ccccc34)cs2)cc1OC 9666564 CATDUSVLXDWCIC-UHFFFAOYSA-N 436.533 5.375 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(-c2ccccc2)n1)C(=O)Nc1ccc(Cl)cc1 9805594 QHFVJSLYUJKGLO-QGZVFWFLSA-N 445.975 6.583 0 40 IKAB C[C@@H](CNC(=O)c1ccc(OCc2ccccc2)cc1)c1nc2ccccc2n1C(F)F 10636877 VCNUUHRONNEGTF-KRWDZBQOSA-N 435.474 5.544 0 40 IKAB Cc1nnsc1C(=O)Nc1c(C(=O)Nc2cccc(C(F)(F)F)c2)oc2ccccc12 12111640 IONUPUCQGXFDES-UHFFFAOYSA-N 446.410 5.116 0 40 IKAB COc1ccc(-c2n[nH]c3c2[C@H](c2ccc(OCc4cccc(F)c4)cc2)CC(=O)O3)cc1 12370975 JGRASGBHBUCIIX-QFIPXVFZSA-N 444.462 5.244 0 40 IKAB Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1[C@@H]1Nc2ccccc2-c2nc3ccccc3n21 12578375 KZVSOQSQKPFZRU-XMMPIXPASA-N 446.341 6.477 0 40 IKAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)Nc1ccc(SC(F)F)cc1 12621144 PFAJMYIBDXONOT-UHFFFAOYSA-N 441.499 5.705 0 40 IKAB CC(C)[C@H](NC(=O)CSc1ccccc1C(=O)OCC(=O)C(C)(C)C)c1cccs1 12917334 VQIHVMGDJJXKTR-NRFANRHFSA-N 447.622 5.126 0 40 IKAB COC(=O)c1cccc(NC(=O)c2oc3ccccc3c2CSCc2ccccc2)c1 13117279 WMSSBJMLDFPUQQ-UHFFFAOYSA-N 431.513 5.905 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)n3ncc(-c4cccc(Cl)c4)c3n2)cc1OC 13362229 ACOKHYZXXBNOTD-UHFFFAOYSA-N 433.817 5.753 0 40 IKAB O=C(O)Cc1sc(Nc2ccccc2Cl)nc1-c1ccc(Oc2ccccc2)cc1 13425541 LXBXZSFSKQMEIJ-UHFFFAOYSA-N 436.920 6.627 0 40 IKAB Cc1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1C 13628234 MEUQAZSFIXMVHA-UHFFFAOYSA-N 430.548 5.871 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cccc(OCc2ccccc2)c1 14269491 HQMQRTJQPKCQEL-UHFFFAOYSA-N 445.588 5.383 0 40 IKAB CC1(C)CCCN(CCC(=O)Oc2ccc3c(c2)CC[C@H]2[C@@H]4CCC(=O)[C@@]4(C)CC[C@@H]32)C1 15957238 KDYPCXIDBCQDOZ-IMBSWCNGSA-N 437.624 5.529 0 40 IKAB Cc1ccc(NCc2nn(CC(=O)c3ccc(C)cc3)c(=S)n2-c2ccccc2)cc1 16769164 AZPKZTPINWGTFO-UHFFFAOYSA-N 428.561 5.515 0 40 IKAB Cc1cc(NC(=S)NC(=O)/C=C/c2ccccc2)cc(-c2nc3ccccc3o2)c1O 17096503 LWNAALNADKAZHV-VAWYXSNFSA-N 429.501 5.035 0 40 IKAB CCCSc1nsc(NC(=O)C23C[C@H]4C[C@@H](C2)CC(c2ccc(C)cc2)(C4)C3)n1 17857529 IRRDMXUFVMKYER-WDXRGRCHSA-N 427.639 5.825 0 40 IKAB CCOC(=O)c1ccc(N(Cc2ccc(Cl)cc2Cl)C(=O)Cc2ccccc2)cc1 19635413 WXXHCNXQIZRQJV-UHFFFAOYSA-N 442.342 5.946 0 40 IKAB Cc1nc(C)c(C(=O)N2CCC[C@@H]2c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)o1 19687269 XVIXZAHLOFTONA-HXUWFJFHSA-N 429.442 5.273 0 40 IKAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCc1ccc(OC)c(OC)c1 19792100 JJQNNVUYZNEBIS-UHFFFAOYSA-N 428.916 5.045 0 40 IKAB COc1ccc([C@@H]2c3[nH]c4ccccc4c3CCN2CC(=O)c2ccc(Cl)cc2)cc1 20248340 VWQUOYJZNLMPRI-AREMUKBSSA-N 430.935 5.660 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c3c(c(Cl)cc12)OCN(Cc1ccc(F)cc1)C3 20358348 IBVGTUUGHFADOD-UHFFFAOYSA-N 449.909 5.837 0 40 IKAB Cc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Br)nc32)cc1 21801192 HMMXTUIHRGHUEK-UHFFFAOYSA-N 432.325 5.423 0 40 IKAB Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 24735162 HDZGGHYGTDWZPE-HNNXBMFYSA-N 448.375 5.646 0 40 IKAB Nc1nc(CN2CCC(c3nc4ccccc4s3)CC2)nc2sc3c(c12)CCCC3 27354662 MUYXFWVHTJIZCJ-UHFFFAOYSA-N 435.622 5.142 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CC(=O)N2CCCC2)cc1 27546890 UMADYBDOGYTTOA-MUUNZHRXSA-N 449.554 5.311 0 40 IKAB COc1ccc(CC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1OC 30851118 ZYIXDNZFVPRXJN-UHFFFAOYSA-N 446.547 5.435 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(-c3nc(-c4ccccc4)no3)cc2)cc1Cl 32594110 FYZIGGCGOBOQBT-UHFFFAOYSA-N 440.286 5.971 0 40 IKAB O=C1N=C(O)/C(=C\c2ccc(Sc3ccc(Cl)cc3)cc2)C(=O)N1Cc1ccco1 33632590 PBXLDWKZZXVFKA-XDHOZWIPSA-N 438.892 5.587 0 40 IKAB O=c1[nH]c2c(n1Cc1ccc(F)cc1)S[C@H]1[C@H]3CC[C@H](C3)[C@H]1[C@@H]2c1ccc(Cl)cc1 35092851 UCLWIBNAFORYLW-RHCAJKBMSA-N 440.971 5.670 0 40 IKAB CCN(CC)Cc1ccc(NC(=O)c2ccc(OCCSc3ccccc3)cc2)cc1 38755903 ACFNERWKAXEISO-UHFFFAOYSA-N 434.605 5.952 0 40 IKAB COc1ccccc1OCC(=O)N1N=C2/C(=C\c3ccco3)CCC[C@H]2[C@H]1c1ccco1 40158961 SOJDOXYXNCNABX-MSWISQRLSA-N 432.476 5.083 0 40 IKAB O=C(Nc1c(F)cccc1F)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 46078878 PFSPCNYQZNIYHP-UHFFFAOYSA-N 426.850 5.464 0 40 IKAB O=C(CN1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1)Nc1cccc(Cl)c1Cl 49377800 RYKSMTUUYRCZKW-UHFFFAOYSA-N 449.313 5.001 0 40 IKAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCCCc1ccc(Cl)c(Cl)c1 60034732 FHWPVOCCGMZLOD-UHFFFAOYSA-N 436.770 5.563 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1cccc(Cl)c1F 67292980 CWMKXFZFJPDJKI-ITGMQXESSA-N 435.282 5.020 0 40 IKAB COc1cccc2cc(C(=O)Nc3nccs3)/c(=N/c3ccc(C)c(Cl)c3)oc12 67295969 LKLLYWBNBSDZRM-GFMRDNFCSA-N 425.897 5.344 0 40 IKAB CN(C(=O)Nc1ccccc1OCC(F)(F)F)[C@H](c1ccc(Cl)cc1)c1cccnc1 72277980 GIQDHRANHCJEGU-HXUWFJFHSA-N 449.860 5.929 0 40 IKAB CCN(Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1)C[C@H](O)c1ccc(C)cc1 72305238 ZMMYPVCFIDQKQL-NRFANRHFSA-N 447.604 5.132 0 40 IKAB CC(=O)N1CCCCC[C@@H]1Cc1c(C(=O)NCc2ccc(F)cc2)sc2ccccc12 72370801 KYMYHMPGKSBLJY-HXUWFJFHSA-N 438.568 5.304 0 40 IKAB O=C(/C=C(/c1ccccc1)C(F)(F)F)Nc1cccc(-c2nnc3n2CCCCC3)c1 96316217 ZWJKGBYWSHYARJ-CYVLTUHYSA-N 426.442 5.256 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@]12C[C@H]3CC[C@]1(C)[C@]3(C)CO2 100713294 MNWDEVCUPZTABE-VWTZHMDJSA-N 425.550 5.126 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Cl)c1OCc1cccc(Cl)c1 107036292 RPWVFUICDLKBOV-UHFFFAOYSA-N 436.766 7.155 0 40 IKAB Clc1ccc(COc2ccc(Cl)cc2CNc2ccc(Cl)c(Cl)c2)cc1 107039099 XPYMZUCTXWTCBE-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB Cc1cccc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(Cl)c2)c1 107951840 MKKAITRMNATHPE-UHFFFAOYSA-N 448.931 5.549 0 40 IKAB CC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cc(C)n(C(C)C)c2C)cc1 223970529 CMXRFOSQRMXVAQ-BJKOFHAPSA-N 447.608 5.216 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2)ccc1Cl 224065884 CTIHMQQYYNLRDJ-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1COc1ccccc1C(C)(C)C 224177189 JLIUNAHDMMLWAT-GOSISDBHSA-N 435.539 6.202 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1COc1ccccc1OC 224241742 QSJAZLPQOGYSNL-UHFFFAOYSA-N 432.303 5.842 0 40 IKAB Fc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(Cl)c1 224426247 VPWCSPBZCLJJRT-GOTSBHOMSA-N 448.954 5.842 0 40 IKAB Cc1ccsc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1c1ccc(Br)cc1 224483876 PORLTGKOEPMIDJ-IRXDYDNUSA-N 430.396 5.391 0 40 IKAB Cc1ccc([C@@H](NC(=S)Nc2ccc(C(=O)N3CCCCC3)cc2)c2ccccc2)cc1 225512282 GHXBUPKSEYCGSQ-VWLOTQADSA-N 443.616 5.697 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1OC(C)C 225762483 UZDSDPCXSWXZIE-UHFFFAOYSA-N 427.516 5.630 0 40 IKAB CN(C)C(=O)c1ccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)cc1 225871780 ORYOMPZZJKRPRJ-UHFFFAOYSA-N 430.017 5.274 0 40 IKAB CC(C)c1ccc2oc(-c3cc(Br)c[n+](Cc4ccccc4F)c3)nc2c1 226308061 LRCTXWVYAKYOCC-UHFFFAOYSA-N 426.309 5.856 0 40 IKAB Cc1cc(Nc2cccc([C@@H]3CN(C(=O)c4oc5c(C)c(C)ccc5c4C)CCO3)n2)no1 257240780 HVFGTFVYYRAZAC-FQEVSTJZSA-N 446.507 5.007 0 40 IKAB Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)nc(C)n4C)C2)n1 257291569 QHOOHVGDGVJMNN-IBGZPJMESA-N 443.526 5.098 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(OC)cc1 408554334 DGPMEBIPMAKUAX-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB COc1cccc(CNC(=S)c2ccc(OCc3ccc(Cl)cc3)c(Cl)c2)c1 408574943 NEFHTLSWPWTTJJ-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB CCCc1nc(S/C(=C\c2ccc(Sc3nc4ccccc4s3)o2)C(=O)O)n[nH]1 408631353 HXWILJGKIAIALM-UVTDQMKNSA-N 444.563 5.329 0 40 IKAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 408681526 XCPPIQYPIHZJGO-QHCPKHFHSA-N 436.939 5.109 0 40 IKAB CN(C)c1ccc(NC(=O)Nc2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 408977340 IJOAHAVBXKXPJL-UHFFFAOYSA-N 439.475 5.860 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3Cl)nnc2-c2ccccc2)cc1 409102390 SKQCGLCTVIUBNM-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB CCc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(OC)c4ccccc34)C2=O)cc1 409178974 LTDWAZJPHPEIGT-HYARGMPZSA-N 446.528 5.086 0 40 IKAB O=C1c2ccccc2N(Cc2ccccc2)[C@H](c2cccc3ccccc23)N1c1ccccc1 409331298 NXNLWNLQPWZLRG-PMERELPUSA-N 440.546 7.206 0 40 IKAB CCN1C(=O)S/C(=C/c2c(Oc3nc(Cl)ncc3F)ccc3ccccc23)C1=O 409353474 LQJSSJWHVHVFAA-CXUHLZMHSA-N 429.860 5.271 0 40 IKAB CC(C)n1c([C@@H]2CCCN2C(=O)C[C@H](c2ccsc2)n2cccc2)nc2ccccc21 524735509 GQAKJZTVKXZKKR-XZOQPEGZSA-N 432.593 5.823 0 40 IKAB CCCN1CCCCCOc2ccc(C(=O)NCCC(C)C)cc2Cc2cccc(c2)C1 2037949543 WZRCYEZNJLPXPS-UHFFFAOYSA-N 436.640 5.828 0 40 IKAB O=C(Nc1cccc(O)c1)c1cc2n(n1)[C@H](C(F)(F)F)C[C@@H](c1ccc(Cl)cc1)N2 714956 JCFCWGCVDGABCZ-RDJZCZTQSA-N 436.821 5.155 0 40 IKAB CC(C)(C)c1ccc(COC(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)cc1 722765 HISKAQVYYLYMKC-UHFFFAOYSA-N 426.900 6.232 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(Cl)c3oc4c(c3c2)C(=O)CCC4)cc1 944074 NZEVCCLBLGEOHB-UHFFFAOYSA-N 431.941 5.704 0 40 IKAB O=C(CSc1nc2ccccc2[nH]1)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccccc1 1016906 HSFZQAHEJIWXRP-JOCHJYFZSA-N 446.963 5.686 0 40 IKAB COC(=O)c1c(NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)sc2c1CCCC2 2131823 SBWVMCVMQLPONZ-JTQLQIEISA-N 428.337 5.126 0 40 IKAB c1ccc2sc(-c3ccc(Oc4ccc(-c5nc6ccccc6s5)cc4)cc3)nc2c1 2154345 UVISVJGKNXYRHU-UHFFFAOYSA-N 436.561 8.032 0 40 IKAB CCC(C)(C)[C@H]1CCc2oc3c(cc(NS(=O)(=O)c4ccccc4)c4ccccc43)c2C1 2184803 PUBFPGMRGYRKEK-SFHVURJKSA-N 447.600 6.928 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccc(Cl)cc3)c2-c2ccc(Cl)cc2)cc1 2556104 FPXKWXSDDLZDBP-UHFFFAOYSA-N 447.329 5.797 0 40 IKAB Cc1ccc(C(=O)[C@H](Sc2nnc(Cc3ccccc3F)n2N)c2ccc(C)cc2)cc1 2623386 DKHHBYSFJPCHGL-XMMPIXPASA-N 446.551 5.055 0 40 IKAB CCc1ccc(-c2nnc3c4cc(OC)c(OC)cc4n(Cc4cccc(F)c4)cc2-3)cc1 2691325 FJYNFGXGXWIHTD-UHFFFAOYSA-N 441.506 5.970 0 40 IKAB CC(C)Cc1ccc(-c2cc(C(=O)N[C@@H]3CCCc4ccccc43)c3ccccc3n2)cc1 2766934 SLWDKJXWVDWQAO-HHHXNRCGSA-N 434.583 6.908 0 40 IKAB COc1cc(Nc2nc(SCc3cccc(Cl)c3)nc3ccccc23)cc(OC)c1 2949069 QNBPLKQJJDSAKN-UHFFFAOYSA-N 437.952 6.336 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)Nc3c(Cl)cc(Cl)cc3Cl)o2)cc1 3486971 XLIFBTAJPWMSQV-UHFFFAOYSA-N 444.727 5.436 0 40 IKAB Cc1cccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c1 6442528 SNVKJXYQEJGUIE-UHFFFAOYSA-N 431.561 5.446 0 40 IKAB O=C(c1ccc(Br)s1)N(Cc1cccnc1)c1nc2ccc(F)cc2s1 8601616 USOPFPJQJQAFNS-UHFFFAOYSA-N 448.342 5.501 0 40 IKAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)N(C)c1nc(-c2ccc(F)cc2)cs1 8829248 NQMMJHNQSSVSGX-UHFFFAOYSA-N 426.904 5.373 0 40 IKAB aggregator Cc1ccc(OCC(=O)Nc2cc(-c3nc4cc(Cl)ccc4o3)ccc2Cl)cc1C 8831903 ZQGCPBXVMLBMIU-UHFFFAOYSA-N 441.314 6.436 0 40 IKAB Cc1ccc2nc(-c3ccc(Cl)c(NC(=O)c4ccccc4Br)c3)oc2c1 8831929 KLOFXHZSRJVCDX-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB C[C@@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccc(Cl)cc4)o3)c2C(N)=O)C1 8832465 AVEALWGCFOXXEB-RUNBWSAHSA-N 440.952 5.537 0 40 IKAB Cc1nnc(SCC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)n1-c1ccccc1 8896664 WOFYMDAMNRZXBS-GOSISDBHSA-N 428.561 5.212 0 40 IKAB CCSc1nnc(NC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)s1 8988278 AYIIWRLICWCSHH-UHFFFAOYSA-N 435.578 5.123 0 40 IKAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1ccc(C(C)C)cc1 8995758 DDICJIBKXILPMF-FQEVSTJZSA-N 432.501 5.131 0 40 IKAB CC(C)(C)c1ccc(Cn2c([C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc3ccccc32)cc1 9191627 YXHQMWQYJSAGAO-FQEVSTJZSA-N 441.550 6.042 0 40 IKAB CCOc1ccccc1[C@H]1C[C@H](c2ccc(Br)cc2)Nc2nc3ccccc3n21 9308853 JHYBCWOKHOXHLG-IFMALSPDSA-N 448.364 6.344 0 40 IKAB COc1ccc(OC)c([C@@H]2CC(c3ccc(C)cc3)=NN2C(=S)NCc2ccccc2)c1 9354891 NJZYEWJKUAJHJB-DEOSSOPVSA-N 445.588 5.238 0 40 IKAB Cc1ccccc1-n1cc(-c2ccccc2)nc1SCC(=O)N(c1ccccc1)C(C)C 9443605 UJVOPMIALWQFAW-UHFFFAOYSA-N 441.600 6.381 0 40 IKAB Cc1ccc2nc(N3C(=O)c4oc5ccccc5c(=O)c4[C@H]3c3cccc(F)c3)sc2c1 9449265 BEICASLKLKIKLL-OAQYLSRUSA-N 442.471 5.600 0 40 IKAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1NC(=O)c1cc(C)cc(C)c1 9539431 XGGSFWMYWGZOKN-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1ccc2c(c1)c1c3n2CCN(C(=O)c2ccccc2CCc2ccccc2)[C@H]3CCC1 9614289 OEEUGWDXCKQBCB-NDEPHWFRSA-N 434.583 6.268 0 40 IKAB COc1ccc(CNc2ncc(-c3ccc(-c4ccccc4)cc3)n2C)c(OC)c1OC 9805802 KPJPUPJHJWFCSJ-UHFFFAOYSA-N 429.520 5.392 0 40 IKAB COc1ccc2[nH]cc(CCNC(=O)c3nc(-c4ccccc4Cl)sc3C)c2c1 11866148 LFORBMCKBWIYLY-UHFFFAOYSA-N 425.941 5.234 0 40 IKAB O=C1Nc2ccccc2/C1=C/c1cc(Cl)c(OCc2ccc(Cl)cc2)c(Cl)c1 12468701 IROYTOZVYMZYEB-MFOYZWKCSA-N 430.718 6.719 0 40 IKAB COc1ccc2oc(=O)c(-c3nc(-c4ccccc4)sc3-c3ccc(C)cc3)cc2c1 12565205 LIPLZZWUKIMQEF-UHFFFAOYSA-N 425.509 6.568 0 40 IKAB Cc1cc(C)c2nc(S[C@@H](C(=O)c3c[nH]c4ccccc34)c3ccccc3)cc(C)c2c1 12631200 LKCSGXZPVQFKTG-MUUNZHRXSA-N 436.580 7.358 0 40 IKAB Cc1ccc2cc3cc(C(=O)N(CC(=O)NC4CCCC4)Cc4ccco4)sc3nc2c1 12635886 NHMDSVUMQGWXLT-UHFFFAOYSA-N 447.560 5.052 0 40 IKAB C[C@@H](OC(=O)c1c2c(nc3ccccc13)CCCCC2)C(=O)Nc1ccc2ccccc2c1 12639141 QDNGRIIVMYIZDU-GOSISDBHSA-N 438.527 5.841 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@@H](C)c1ccccc1Br 12914022 ZLFWEFNTFDZPPA-LBPRGKRZSA-N 433.327 5.155 0 40 IKAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 13002959 KSUNFULOIXKPFJ-UHFFFAOYSA-N 433.943 5.378 0 40 IKAB COc1ccccc1-c1nn(-c2ccccc2)cc1C(=O)N1CC=C(c2ccccc2)CC1 13109023 ACTDUQPWSHOIDV-UHFFFAOYSA-N 435.527 5.477 0 40 IKAB Cc1cccc(Oc2ccccc2NC(=O)CSc2nnc(-c3ccccc3F)n2C)c1 13109917 RCVJLKTVJVYAEJ-UHFFFAOYSA-N 448.523 5.453 0 40 IKAB CC[C@H](C)c1ccc(C(=O)COc2ccc(Br)cc2Br)cc1 13134237 QFEUGWNMBSRQMZ-LBPRGKRZSA-N 426.148 5.987 0 40 IKAB O=C(Nc1ccccc1)N1N=C2/C(=C/c3ccc(F)cc3)CCC[C@H]2[C@@H]1c1ccc(F)cc1 13301605 OBLRYJOBGAYEPF-LZJROTJSSA-N 443.497 6.793 0 40 IKAB CCCCc1nc2cc(NC(=O)Nc3ccc(Cl)cc3)c(C)nc2n1Cc1ccccc1 13502041 XBPLFNXXDXHRBP-UHFFFAOYSA-N 447.970 6.428 0 40 IKAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)c3ccc(C(C)(C)C)cc3)cc2)c1 13632340 RFBCSEABVNITBU-IBGZPJMESA-N 430.548 5.951 0 40 IKAB O=c1c2ccccc2nc(CSCc2ccccc2Br)n1Cc1ccco1 16450118 MFHABQLRLAJTSK-UHFFFAOYSA-N 441.350 5.234 0 40 IKAB CCOCCCNCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 16687988 XBNIBCHWNDZNHU-UHFFFAOYSA-N 442.781 5.206 0 40 IKAB CC(C)(C)C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(Cl)c(Cl)c2)C1 19081855 MPCQDPARAQSAHG-LAUBAEHRSA-N 434.411 5.504 0 40 IKAB Cc1ccc2[nH]nc(C(=O)N3CCC[C@H](c4ccc(Cc5ccc(F)cc5)cn4)C3)c2c1 19690282 RVZYPCVQAGDASN-FQEVSTJZSA-N 428.511 5.016 0 40 IKAB COc1cc(C)ccc1CN1CCCC[C@@H]1c1ncc(C(=O)Nc2ccccc2F)c(C)n1 19764732 YQMHRPAXCBQKTN-HSZRJFAPSA-N 448.542 5.221 0 40 IKAB COc1ccc(S[C@@H](C)C(=O)NCc2ccc(OCc3ccc(F)cc3)cc2)cc1 20495120 OHDNSLBQLQWNHK-KRWDZBQOSA-N 425.525 5.210 0 40 IKAB Clc1ccccc1COc1ccc(Br)cc1CNC1CCCCCCC1 22076306 WWGMWQGPMJJQEV-UHFFFAOYSA-N 436.821 6.884 0 40 IKAB Cc1ccccc1C(=O)N1CCC(C(=O)N2CCCC[C@H]2c2nc3ccccc3s2)CC1 24751772 OSGUSINHLBYOSS-QFIPXVFZSA-N 447.604 5.211 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccncc3)n2-c2ccc(C)c(C)c2)c1 24878047 QUOGXJBZJPQHKO-UHFFFAOYSA-N 443.576 5.294 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(ncn4c(SCc5ccccc5)nnc34)[C@@H]2C2=C1CCC2 26959938 GPPLAZKVPMJOLV-WMZHIEFXSA-N 447.633 6.057 0 40 IKAB CCCCC1=N[C@@H]2Sc3c(SCc4ccc(F)cc4)ncnc3[C@@H]2C2=C1CCC2 26960001 NXDVBQMZXBFQBS-SIKLNZKXSA-N 425.598 6.549 0 40 IKAB O=C(NCc1ccc(Cn2ccnc2)cc1)c1ccccc1-c1ncc(-c2ccccc2)o1 27544895 KZCXDZXHMUHNFM-UHFFFAOYSA-N 434.499 5.183 0 40 IKAB CNC(=O)c1ccc(CN(C)C(=O)c2cccc(Oc3cccc(C(F)(F)F)c3)c2)cc1 31529260 VJCMGEZUHOLSBW-UHFFFAOYSA-N 442.437 5.130 0 40 IKAB CNC(=O)c1ccc(/C=C/C(=O)N(c2ccc(C)c(F)c2)c2nc3ccccc3s2)cc1 32760504 OPCYXHIVWNTTOS-GXDHUFHOSA-N 445.519 5.482 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)N[C@H](NC1CCCCC1)C(Cl)(Cl)Cl 35047593 KBOJCECEPHHEFJ-JKOKRWQUSA-N 436.638 5.312 0 40 IKAB CCCCc1ccc(NC(=O)c2sc3ncn(CCc4ccccc4)c(=O)c3c2C)cc1 35672046 GDBONGHDXLBZEV-UHFFFAOYSA-N 445.588 5.604 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38849392 XHPWJBOKMFNLFD-ZDUSSCGKSA-N 427.759 5.506 0 40 IKAB COc1ccc(NC(=O)c2sc3c(cnc4ccccc43)c2-c2ccc(C)c(C)c2)cc1 45922321 LYSJXAYDDIALJA-UHFFFAOYSA-N 438.552 6.994 0 40 IKAB Cc1cc(C)c(NC(=O)COc2cc(C)nc(-c3ccc(C(F)(F)F)cc3)n2)c(C)c1 49006990 ZMCGOGQSLRSWLG-UHFFFAOYSA-N 429.442 5.414 0 40 IKAB C[C@@H](N[C@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1F 57452444 UALUEOHVMCIOCF-BFUOFWGJSA-N 433.346 5.356 0 40 IKAB CC(C)COc1ccccc1NC(=O)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 58157614 AIWUYAONGOTCBP-UHFFFAOYSA-N 427.932 5.928 0 40 IKAB CNC(=O)c1c(C)cccc1NC(=O)CCc1c(-c2ccc(OC)cc2)[nH]c2ccccc12 58330077 IFOFTTRRDZBCCE-UHFFFAOYSA-N 441.531 5.083 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2ccccc2C(F)(F)F)nc1 67294369 JAKYQNZXSYUVJJ-SLMZUGIISA-N 439.393 5.345 0 40 IKAB Cc1ccc(NC(=O)c2cc3ccccc3o/c2=N\c2ccc(OC(F)(F)F)cc2)nc1 67296589 CQTSAUIZIFNAMF-SLMZUGIISA-N 439.393 5.520 0 40 IKAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\c2cccc(C(F)(F)F)c2)n1 67297967 GYSCPOYBVZZOFH-SLMZUGIISA-N 439.393 5.345 0 40 IKAB O=C(/C=C/c1csc(-c2ccc(F)cc2)n1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 79054252 WYNHHCAHMIVPQV-CHHLAKQQSA-N 448.519 5.318 0 40 IKAB COc1ccc(OCC(=O)N2N=C3/C(=C\c4ccco4)CCC[C@@H]3[C@H]2c2ccco2)cc1 95946773 NKAZRGDPDDQREJ-WMWHFCOLSA-N 432.476 5.083 0 40 IKAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)Nc1nc(-c3ccc(C(C)(C)C)cc3)cs1)[C@H]2C(=O)O 100630464 NGZQPIDJKGPPTM-DGQTTZFYSA-N 438.593 5.739 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 102252244 FGLSGMOPXNUOLY-FUKQBSRTSA-N 430.617 6.269 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccccc1Cl 108920171 XXPYVZNNBFTTFW-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB Br[Sn](Br)(C1CCCCC1)C1CCCCC1 195770085 RHFTTZVNBAHQBF-UHFFFAOYSA-L 444.827 5.887 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2c(F)cccc2Cl)C1=O 215153148 DYVWNUUCAQRDQP-RGVLZGJSSA-N 427.884 5.877 0 40 IKAB COc1ccc(OC[C@H](C)NC(=O)c2cc(Cl)ccc2OCc2ccccc2)cc1 219769120 MHGKDCYVZDSERI-KRWDZBQOSA-N 425.912 5.125 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(F)cc1)C(=O)Cc1ccc(Cl)cc1Cl 222654742 FQHZTNZNNJOWSU-FQEVSTJZSA-N 439.358 5.007 0 40 IKAB CC[C@H](NC(=O)COc1ccc(Br)cc1Cl)c1ccc2c(c1)CCCC2 223083082 ASJMPJFOTXXJMG-IBGZPJMESA-N 436.777 5.628 0 40 IKAB COc1cc(C)c([C@H](C)NS(=O)(=O)Cc2c(Cl)cccc2Cl)cc1C(C)C 223325993 FMJRZIANKIOQEL-AWEZNQCLSA-N 430.397 5.614 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 223445798 NQGAMQWFZFEQMP-JOCHJYFZSA-N 444.616 5.089 0 40 IKAB Cc1cc(Br)cnc1NC(=S)NCC1(c2ccc(F)cc2)CCCCC1 224006946 IZKNGYQZGZURMZ-UHFFFAOYSA-N 436.394 5.480 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C 224113789 GZWDCBZCRRSCNM-LJQANCHMSA-N 447.044 5.320 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Cl)c2)cc1 224196755 YMVVNIXVOMXALD-RPWUZVMVSA-N 444.991 6.011 0 40 IKAB COc1ccc(C(=O)NCCc2ccccc2)cc1COc1ccc(-c2ccccc2)cc1 224214548 WLHVCUBGGZYBGL-UHFFFAOYSA-N 437.539 5.914 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 224311752 LSJDBTUAMMFHSJ-FQEVSTJZSA-N 434.555 5.101 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@@H](c2cccn2-c2ccccc2)N1c1ccc(Cl)cc1 224471531 WDSFWZPHPSSKKI-DHIUTWEWSA-N 430.964 5.703 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccccc1Cl 224480184 ONRKPQYLUXPQCE-UHFFFAOYSA-N 446.330 6.232 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 224540812 KKYUCAOWWYHPJS-RUZDIDTESA-N 436.640 5.496 0 40 IKAB CCOc1ccc(-c2cnc(CCC(=O)Nc3ccc(Br)cc3F)o2)cc1 224858350 BNNBFNCRTRSCBH-UHFFFAOYSA-N 433.277 5.213 0 40 IKAB O=C(Nc1cccc(Cl)c1Cl)c1ccccc1-c1ncc(-c2ccc(Cl)cc2)o1 224960686 VOQOIRGOFGNRKH-UHFFFAOYSA-N 443.717 7.221 0 40 IKAB O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2)s1 225228912 CQXBISLJDOGMSI-UHFFFAOYSA-N 444.796 6.037 0 40 IKAB COc1cc(C)c(S(=O)(=O)N[C@H]2CC3(CCCCC3)Oc3ccccc32)cc1C(C)C 225643144 QRTSRSFUDIMYEB-NRFANRHFSA-N 443.609 5.632 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCC(C)CC3)cc2)CCC[C@@H](C)C1 225664174 SARCKGSJWYGOFB-ATIYNZHBSA-N 430.633 5.501 0 40 IKAB COC(=O)c1cc(NC(=S)N[C@@H](c2ccccc2)c2ccc(C)cc2C)ccc1Cl 225768614 MAFOUUBERKEFJT-QFIPXVFZSA-N 438.980 5.819 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)CSCc2ccc(Cl)cc2F)cc1OCC 225854688 QHZSLWNTQXMHLG-AWEZNQCLSA-N 425.953 5.387 0 40 IKAB Fc1ccc(C2(CNC(=S)Nc3nc(Cl)cc(N4CCCC4)n3)CCCCC2)cc1 225991622 PQWNKLJYJXTOLP-UHFFFAOYSA-N 448.011 5.058 0 40 IKAB O=C(CCOc1cccc(F)c1)N1CCC(c2ccc(Cc3ccc(F)cc3)cn2)CC1 257247537 IZKMDZIDFYMKNA-UHFFFAOYSA-N 436.502 5.126 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 257270089 MSSCGTQRHSNCPQ-MRXNPFEDSA-N 444.988 5.135 0 40 IKAB COc1cc([C@@H]2SCC(=O)N2c2ccc(Cl)cc2)ccc1OCc1ccc(F)cc1 408555516 HCOGZABPXQEAKD-QHCPKHFHSA-N 443.927 5.845 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3ccc(C)cc3C)cc2-c2ccc3ccccc3c2)c1 408725959 RBQQJCXQGOSXAL-UHFFFAOYSA-N 431.539 6.870 0 40 IKAB CCOc1cc(-c2nc(O)c3c(C)c(C)sc3n2)ccc1OCc1ccccc1Cl 408733842 AZFLBBHUPQBCIP-UHFFFAOYSA-N 440.952 6.312 0 40 IKAB CC(C)COc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@@H]3CCCC[C@H]3C)C2=O)cc1 408812710 PIDBFCCJPLMHQV-HMTVJDKSSA-N 449.640 6.775 0 40 IKAB COC(=O)c1ccccc1-c1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)o1 409127034 CQSCUYKQECGHEO-CJLVFECKSA-N 447.512 5.402 0 40 IKAB Cc1cccc(COc2ccc(/C=C3/SC(=O)N(CCCc4ccccc4)C3=O)cc2)c1 409128820 KZCHKUAZCRLUCS-XIEYBQDHSA-N 443.568 6.243 0 40 IKAB Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(=O)c4cc(F)ccc4F)CC3)s2)o1 613969403 YPMKPUYELCCPDV-UHFFFAOYSA-N 430.476 5.033 0 40 IKAB O=C(Nc1ccc(Oc2cc(-n3cccc3)ncn2)cc1)Nc1ccc(C(F)(F)F)cc1 1889249484 FWQZHBZOBMLCCL-UHFFFAOYSA-N 439.397 5.722 0 40 IKAB CCOc1ccc2c(c1)-c1c(sn(-c3ccc(NC(C)=O)cc3)c1=S)C(C)(C)N2 680204 ZMDFIJFEOIEUGR-UHFFFAOYSA-N 425.579 5.953 0 40 IKAB O=C(Nc1ccc(O)cc1)c1nn2c(c1Cl)N[C@H](c1cccs1)C[C@H]2C(F)(F)F 865911 NXWKUGIKCUDCHF-AAEUAGOBSA-N 442.850 5.216 0 40 IKAB O=C(C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21)c1ccc2ccccc2c1 989857 MPTQJWZZVCCVEQ-HHHXNRCGSA-N 441.914 5.501 0 40 IKAB COc1ccc(CC[C@H]2NCC3(CCCCC3)c3cc(OC)c(OC)cc32)cc1OC 1321261 LYIIGTRGFXZVSE-OAQYLSRUSA-N 425.569 5.200 0 40 IKAB biogenic CCC(=O)Nc1nnc(-c2ccc(Cn3c(-c4cncs4)nc4ccccc43)cc2)s1 1445827 KYMRLGCSRUHLQB-UHFFFAOYSA-N 446.561 5.075 0 40 IKAB Cc1ccc(-c2nn(CCC(=O)Nc3cccc4ccccc34)c(=O)c3ccccc23)cc1 2258506 UQCIHCFCLDYQFB-UHFFFAOYSA-N 433.511 5.554 0 40 IKAB CC(C)=CCSc1nnc([C@H](Cc2c[nH]c3ccccc23)NC(=O)OC(C)(C)C)o1 2384368 STZVANIFEHHHSG-SFHVURJKSA-N 428.558 5.418 0 40 IKAB Cc1ccc(-n2ncc3c(SCC(=O)Nc4cc(Cl)ccc4Cl)ncnc32)cc1 2447575 GEGJELBSPRYVMD-UHFFFAOYSA-N 444.347 5.162 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Cl)cc3C)n2-c2ccccc2)cc1 2447704 CSDSLACVLJZWKC-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB COc1cc(OC)cc(C(=O)O[C@H](C(=O)Nc2ccc(C)c(Cl)c2)c2ccccc2)c1 2621868 RLXAZRYTLRKKIR-QFIPXVFZSA-N 439.895 5.202 0 40 IKAB COc1cccc(CNCc2nc(NCc3cccc(OC)c3)c3c(C)c(C)sc3n2)c1 2661614 RKTAONCYHHLYMC-UHFFFAOYSA-N 448.592 5.227 0 40 IKAB CCCCCSc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Cl)cc1 2721790 CIMVDAAHGYJNEV-UHFFFAOYSA-N 428.000 6.172 0 40 IKAB CCOC(=O)c1c(NC(=O)c2cc(Cl)ccc2Cl)sc2c1CCCCCC2 2746554 HZNAUVMWPHYZGK-UHFFFAOYSA-N 426.365 6.143 0 40 IKAB O=C(/C=C/c1c(F)cccc1Cl)Nc1ccc(Br)cc1Br 2773993 RBALQFOYIZGIKD-FNORWQNLSA-N 433.502 5.656 0 40 IKAB O=C(CCn1c(=S)oc2ccccc21)Nc1ccc(O)c(-c2nc3ccccc3o2)c1 2923406 RJCVUKNRGBBBBH-UHFFFAOYSA-N 431.473 5.506 0 40 IKAB CCOc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1Oc1ccccc1 3231028 LQQYZLDADWDHBK-UHFFFAOYSA-N 448.338 5.441 0 40 IKAB O=C(COC(=O)Cc1ccc(-c2ccccc2)cc1)Nc1ncc(C(F)(F)F)cc1Cl 3298274 PGQTXJSODHODHU-UHFFFAOYSA-N 448.828 5.145 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)NCCc1ccc(Cl)cc1Cl 3325804 LGGDLXXVPCVZJX-UHFFFAOYSA-N 442.342 5.027 0 40 IKAB Cc1cc(OCC(=O)Nc2sc3c(c2C(N)=O)CC[C@H](C(C)(C)C)C3)cc(C)c1Cl 8832446 MXMTVWRRKCSQRX-AWEZNQCLSA-N 449.016 5.286 0 40 IKAB COc1ccc(C2=NN(C(=O)CSc3ccc4ccccc4n3)[C@@H](c3ccco3)C2)cc1 8898632 GAMIPXFTBMWODR-JOCHJYFZSA-N 443.528 5.306 0 40 IKAB O=C(C[C@@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccc(Cl)cc21)c1cccs1 8922814 LVLLQSYBZDXGIB-NRFANRHFSA-N 432.328 5.062 0 40 IKAB COc1cc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(C)cc4C)=NN32)cc(OC)c1OC 9158031 WKLXYFDORGXFTG-AJTFRIOCSA-N 444.531 5.572 0 40 IKAB O=C1N(Cc2cccc(Cl)c2)c2ccccc2S(=O)(=O)N1c1cccc(Cl)c1 9319326 AASSDMCPKSCYMI-UHFFFAOYSA-N 433.316 5.329 0 40 IKAB CCOc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 9392863 MHAJWJOJUHGLCH-UHFFFAOYSA-N 430.573 6.128 0 40 IKAB CCCCCOc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2CCCC)cc1 9409259 XWOSZTWEQGYXLG-RUZDIDTESA-N 433.552 5.697 0 40 IKAB CC(=O)N1N=C(c2cccc(O)c2)C[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1 9420801 ZMCXFDTYDZDCFP-QFIPXVFZSA-N 428.517 5.004 0 40 IKAB O=C(CCC(=O)OCc1ccc(Cl)c(Cl)c1)Nc1ccc2c(c1)oc1ccccc12 9581451 HAHWPESTGVUXHI-UHFFFAOYSA-N 442.298 6.355 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1F)oc1ccccc12 9632337 IFLSKQYHTPEMGM-LBPRGKRZSA-N 425.387 5.057 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3c(C)cccc3C)nnc2-c2ccncc2)cc1 9727429 NIHJETLHNFDYFE-UHFFFAOYSA-N 443.576 5.239 0 40 IKAB CCCN(CCC)c1ccc(C(=S)N2CCN(C(=S)Nc3ccccc3)CC2)cc1 9971506 ZMSXMPVRXRKVDG-UHFFFAOYSA-N 440.682 5.003 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(Br)c(C)c4)ncnc32)cc1Cl 10253708 XLIDNQYRDQKKCR-UHFFFAOYSA-N 428.721 5.592 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c1 12140477 BSQZOHYRAOEXLB-UHFFFAOYSA-N 428.355 5.254 0 40 IKAB CCOc1ccc([C@@H]2Oc3c(OCC)cccc3[C@@H]3CC(c4cccc(OC)c4)=NN32)cc1 12195724 UJYHWDBTVWNJPQ-IGKIAQTJSA-N 444.531 5.735 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccccc4F)n3)ccc21 12220043 GNRQAOPMTSWGTB-UHFFFAOYSA-N 437.540 5.161 0 40 IKAB CCc1ccc([C@@H]2CN3C(=O)N(c4ccccc4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1 12875735 SFNMXDYNIOAOPP-DWACAAAGSA-N 435.527 5.560 0 40 IKAB biogenic Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2)C(=O)c2ccco2)cc1 13026846 DZRYEZPHRSAGCX-RUZDIDTESA-N 430.548 5.073 0 40 IKAB O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N(CCCCO)Cc1ccccc1 13083100 BFSJLCVBXDPMFG-UHFFFAOYSA-N 436.552 5.305 0 40 IKAB Cc1cccc(NC(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)c1 13513895 MZVRWZPGLBGMGU-UHFFFAOYSA-N 443.978 7.048 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3ccc(OCc4ccccc4Cl)cc3)CC2)c1C 13687861 JVIWIJWJSWXXDY-UHFFFAOYSA-N 434.967 5.498 0 40 IKAB Cc1nc2oc3c(=O)n(Cc4c(Cl)cccc4Cl)cnc3c2c2c1COC(C)(C)C2 13692320 SJPIPWMTACKTFY-UHFFFAOYSA-N 444.318 5.053 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1 14153217 ARLZQHXHILOLAG-QFIPXVFZSA-N 426.925 5.268 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cccc(-n5cnnc5)n4)cc3)nc2c1 15826218 IEODXBPMUYKTBB-INIZCTEOSA-N 438.491 5.236 0 40 IKAB O=C(CSc1nccn2nc(-c3cccc4ccccc34)cc12)Nc1cc(F)ccc1F 16840655 BQTKFNHTCSAQEH-UHFFFAOYSA-N 446.482 5.559 0 40 IKAB CC(C)(C)c1ccc(C(=O)NC(=S)Nc2ccc(Br)cc2Cl)cc1 17094611 IHAPSAAKYHEDKN-UHFFFAOYSA-N 425.779 5.527 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1ccc2oc(-c3ccc(F)cc3Cl)nc2c1 17095125 DFIZQMKDQAKYDS-UHFFFAOYSA-N 426.831 5.557 0 40 IKAB COc1cccc(-c2cc(-c3cccc(OC)c3)n(Cc3cccc(C(F)(F)F)c3)n2)c1 17102064 AKAXVWZIKXIRMC-UHFFFAOYSA-N 438.449 6.301 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(Br)o4)cc3)nc2c1 17103050 NQJOSEOXTGVUTQ-CYBMUJFWSA-N 439.309 6.616 0 40 IKAB COc1ccc(/C=C/C[C@H]2Cc3cc4c(cc3O[C@@H]2c2ccc(OC)cc2)OCO4)cc1 17175607 XJCYHVVLLSSJHZ-RRLLIVCOSA-N 430.500 5.828 0 40 IKAB CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(Cl)cc3)[nH]c(=O)c21 17196565 DSCCTLQRRFTYSE-QHCPKHFHSA-N 439.968 5.045 0 40 IKAB CCN(C(=O)Cc1ccccn1)[C@H]1CCO[C@@H](c2cccc(-c3cc(F)cc(F)c3)c2)C1 19711626 HBJKSHGZQXPQKK-LOSJGSFVSA-N 436.502 5.338 0 40 IKAB O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=N\c1ccc(F)cc1 20616546 BLLOAKSKMAXHEQ-NKFKGCMQSA-N 444.285 5.276 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)N[C@H](C)c1ccc2ccccc2c1 21360141 JFMLJVGXLQHIJR-HXUWFJFHSA-N 434.605 5.786 0 40 IKAB CCCCOc1ccccc1C(=O)NC[C@H](c1ccc(C(C)(C)C)cc1)N1CCCCC1 28293069 JXHGUTMLPDRNII-RUZDIDTESA-N 436.640 6.120 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2cc(Cl)cc(Cl)c2)cc1 34737917 OUKXKLTXZKXRHU-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NCc1ccc(-c2ccc(Br)cc2)o1 57317089 OCJBAFHRMLXRNX-NTCAYCPXSA-N 448.316 6.299 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)nc2ccsc2c1=O 57426309 IEQSFSNGZRTGIZ-UHFFFAOYSA-N 442.393 5.152 0 40 IKAB CN(CC(=O)Nc1ccccc1Cl)C(=O)C12C[C@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 58210146 XDMLBWGHLDTGRD-GBXBDOIYSA-N 436.983 5.275 0 40 IKAB O=C(NC[C@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(Cl)cc1F 67292986 XZCRFQKVJSIXQB-IAIVQWBNSA-N 435.282 5.020 0 40 IKAB FC(F)(F)c1cccc(C2(c3nnc(-c4cc(-c5ccccc5)n[nH]4)o3)CCOCC2)c1 71889830 NLUWIOZBQRUTMP-UHFFFAOYSA-N 440.425 5.242 0 40 IKAB CC[C@@H](C)N(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C(=O)OC(C)(C)C 72215279 UQAWHMWFWLWRLJ-IEBWSBKVSA-N 433.593 6.084 0 40 IKAB CC(C)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(=O)Nc1ccc([S@](C)=O)cc1 72300834 VAGHIVIYRWXHHQ-YMGMXPECSA-N 432.895 5.171 0 40 IKAB Cn1cc(CCC(=O)N2CCC[C@@H]2c2ccc(CNC3CCCCC3)cn2)c2ccccc21 72355738 QZICSTDDVJKPEC-HHHXNRCGSA-N 444.623 5.292 0 40 IKAB Cc1cc(Nc2ncccc2C)cc([C@@H]2CCCN2C(=O)c2ccc3nc(C)sc3c2)n1 72372622 SKICRZRNUKIHNO-QFIPXVFZSA-N 443.576 5.732 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc4ccccc4c3)oc12 73642693 NTPXAVCGFZGPLL-UHFFFAOYSA-N 446.142 6.318 0 40 IKAB CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C1=O 102674640 PLFDGEWUSRERIU-SHRQFBHGSA-N 447.534 5.509 0 40 IKAB COc1cc([C@H]2C3=C(O)C[C@H](c4ccccc4)CC3=Nc3onc(C)c32)cc(OC)c1OC 102730284 PDBSHOLBDQLWPN-WAIKUNEKSA-N 446.503 5.617 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2cccc(F)c2)c2ccccc12 111671401 GFBFYTOEYFKCFT-IWIPYMOSSA-N 447.579 5.561 0 40 IKAB CC(C)Oc1cccc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)c1 219961221 JBHYALMZDQLBCA-UHFFFAOYSA-N 442.603 6.181 0 40 IKAB Cc1cc(O[C@@H](C)C(=O)NCCSCc2c(Cl)cccc2Cl)ccc1Cl 222842757 KVSCSJYQCPLGPU-ZDUSSCGKSA-N 432.800 5.772 0 40 IKAB Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)o1 222939512 SUYRDXVMHGIZPC-VXKWHMMOSA-N 425.985 5.932 0 40 IKAB CC[C@H](C(=O)NC)N(Cc1ccccc1Cl)C(=O)CCc1ccc(C(C)(C)C)cc1 223134521 CGFGEIPAVXDILQ-JOCHJYFZSA-N 429.004 5.124 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C(=O)NCc1ccc(C)cc1)c1ccccc1 223413562 XGJWHSHZIYNVOQ-SANMLTNESA-N 448.994 5.835 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCCC1 224162330 RJVXDBBHPRXCBQ-JWQCQUIFSA-N 430.621 6.182 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)CCc1ccc(C(C)C)cc1 224234354 QQBQPYMCKTXWNS-HHHXNRCGSA-N 448.651 5.917 0 40 IKAB Fc1cccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)c1 224441022 FHTUSXBZUJRNMJ-GOTSBHOMSA-N 432.499 5.328 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1COc1cccc(Cl)c1 224490401 XNLQMPJCCFLAAS-UHFFFAOYSA-N 441.911 5.587 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(F)cc2)o1 224580341 XHHPCBPFODFXAB-ZEQRLZLVSA-N 445.519 5.666 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccccc1Cl)[C@@H](C)C(=O)NC1CCCCC1 224703540 LVJZNBIKKHDQEK-IBGZPJMESA-N 426.988 5.057 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)cc1 224838852 ZABIZUPJKQRCDG-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCCO[C@@]1(C(=O)Nc2ccc(OCCN3C[C@H](C)C[C@@H](C)C3)cc2)CCC[C@@H](C)C1 225663335 VOAURTKTVRYFMO-BILGYAHESA-N 430.633 5.357 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)c1cc(C(C)C)c(OC)cc1C 225667133 VQRRNXKWYOTKPX-UHFFFAOYSA-N 439.939 6.834 0 40 IKAB CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(Cc2cccnc2)CC1 257217927 DBDKQIAVNKSJJY-UHFFFAOYSA-N 433.621 5.160 0 40 IKAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3Cl)o2)n(C)n1 257283257 OXMDAMSIWLVUHO-OAQYLSRUSA-N 440.975 5.218 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3-c3ccc(F)c(Cl)c3)N21 260778296 RLNZYHXWFPDVDK-IFZYUDKTSA-N 426.948 5.644 0 40 IKAB Clc1cccc(COc2ccccc2CNc2ccc(Br)c(Cl)c2)c1 408557094 MBSYEJCTKGRMLG-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc(-c2ccc(-c3ccccc3)cc2)n(-c2ccccc2)n1 408725440 PABUFHWUHJZLKO-UHFFFAOYSA-N 449.941 7.112 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 408921457 IAAZDFNUQGCTQI-LHHJGKSTSA-N 447.343 5.446 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3C)nnc2-c2ccccc2)cc1 409107943 YPTBCKZAANZEPI-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB CCCN1C(=O)/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c2ccccc21 409120602 UOVYSLXWCHUQAU-KQWNVCNZSA-N 447.962 6.615 0 40 IKAB CCc1cc(C(=O)Nc2nnc(SCc3ccccc3)s2)sc1-c1ccccc1 585152295 LSPYMHQBMDTPRX-UHFFFAOYSA-N 437.615 6.374 0 40 IKAB CCCN1CCCCCCN(C(=O)C2CCC2)[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643581870 FPNGYWMLDHVPLB-NOZRDPDXSA-N 440.628 5.432 0 40 IKAB Cc1ccc(O)c([C@@H](CC(=O)NCC2(c3ccccc3)CCOCC2)c2ccccc2)c1 781883 DFFMLDHMGXGQDA-DEOSSOPVSA-N 429.560 5.087 0 40 IKAB CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CSc2nc(-c3ccco3)cc(C(F)(F)F)n2)C1 902010 VVZPDOBDYXKVPZ-RBZFPXEDSA-N 439.503 5.275 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=S)N[C@H](C)c3ccccc3)cc2c1 933910 ICPLWFNFCYKSPW-GOSISDBHSA-N 431.561 5.067 0 40 IKAB Cc1ccc(-c2csc3ncnc(Oc4ccc(NC(=O)c5cccs5)cc4)c23)cc1 1061261 KEADIWOYAUZOIX-UHFFFAOYSA-N 443.553 6.773 0 40 IKAB COc1c(Cl)cc(Cl)cc1/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1 1268985 ISUABLDYBIZBMT-KPKJPENVSA-N 441.314 5.906 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1ncc(-c2ccc(F)cc2)n1C1CCCC1 1339953 FPUANEPIBXBNDX-QGZVFWFLSA-N 435.568 5.874 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1ncnc2sc3c(c12)CC[C@H](C)C3 1789820 DGMIALXAIIGBLP-NWDGAFQWSA-N 448.013 5.597 0 40 IKAB C[C@@H](Oc1c(-c2ccc(Cl)cc2)oc2ccccc2c1=O)C(=O)OCc1ccccc1 1791352 ISAOOOUZRQNSPE-MRXNPFEDSA-N 434.875 5.624 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCCCOc1ccccc1F 1801722 ZQDCCKLNSMENSN-UHFFFAOYSA-N 436.914 6.105 0 40 IKAB O=C(Nc1ccc(F)c(F)c1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 2085810 DOSIQLWOYXSYJU-UHFFFAOYSA-N 429.253 6.739 0 40 IKAB Cc1cccc2c(-c3ccccc3)c3c(nc12)C(=O)N[C@@H]3c1ccc(Br)cc1 2190059 UZMVCIQQMHVOFE-JOCHJYFZSA-N 429.317 5.806 0 40 IKAB CCCCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1C)CC(C)(C)OC3 2309101 VVRYSNVVVAYLFV-UHFFFAOYSA-N 442.650 6.279 0 40 IKAB COc1cc2c(cc1NC(=O)[C@H](C)Sc1nnc(-c3ccco3)o1)oc1ccccc12 2639883 BBKBILIUQKXVPV-LBPRGKRZSA-N 435.461 5.357 0 40 IKAB Cc1ccc(Sc2nc3ccccc3nc2NS(=O)(=O)c2ccc(F)cc2C)cc1 2655172 FFLRCJKADJCBRZ-UHFFFAOYSA-N 439.537 5.338 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)cc1 2704772 BNPAHEIGFGHDEQ-QFIPXVFZSA-N 431.875 5.206 0 40 IKAB O=C(OCC(=O)N1c2ccccc2Sc2ccccc21)c1cccc(OC(F)F)c1 3232998 SWQNGKDKOQLZEU-UHFFFAOYSA-N 427.428 5.274 0 40 IKAB O=C1N/C(=C/c2cccn2-c2cccc(C(F)(F)F)c2)C(=O)N1c1cccc(Cl)c1 3652686 VQKUEFYNJQRLEW-LDADJPATSA-N 431.801 5.247 0 40 IKAB COc1ccc2ccccc2c1C(=O)Nc1ccc2oc(-c3ccccc3Cl)nc2c1 3767934 OVVAEPSQOYKIAE-UHFFFAOYSA-N 428.875 6.562 0 40 IKAB Cc1c(Cl)cccc1NC(=O)Cc1csc(SCC(=O)Nc2ccc(F)cc2)n1 8852081 FSRYSUHWJJHUMJ-UHFFFAOYSA-N 449.960 5.156 0 40 IKAB CCOC(=O)C1=C(C)Nc2c(cnn2-c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 8873386 DSOFUOUMMAYACG-FQEVSTJZSA-N 428.319 5.574 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccc(Cl)cc3C)cc2-c2ccc(Cl)cc2)cc1 8888287 YLZRXOHPELWFDB-UHFFFAOYSA-N 436.342 6.715 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(-c2ccccc2Br)o1 9057296 PLCOGMVJVMBKBO-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB Cc1noc(-c2ccc(OCc3ccc(Cl)c(Cl)c3)cc2O)c1-c1ccccc1 9129656 RXAIBCVNXCBOIO-UHFFFAOYSA-N 426.299 6.908 0 40 IKAB biogenic COc1ccc(N2C(=O)C[C@@]2(C(=O)Nc2ccccc2C)c2ccc(C(C)C)cc2)cc1 9130062 BRWJHQDQUMMPGZ-MHZLTWQESA-N 428.532 5.398 0 40 IKAB Cc1cccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)n1 9191734 KGRANHCYKOMZQC-QHCPKHFHSA-N 444.918 6.023 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(C[C@@H]1CCCO1)C3=O 9215661 BXSSWESYNWFMBY-XOBRGWDASA-N 444.314 5.132 0 40 IKAB Cc1ccc(Nc2nc(CSc3nnc(-c4ccc5c(c4)OCO5)o3)cs2)cc1C 9377093 YSSCOOPSRIDEML-UHFFFAOYSA-N 438.534 5.575 0 40 IKAB Cc1ccc([C@H]2c3cccn3CCN2C(=S)Nc2ccc(Br)cc2)cc1 9391155 VTSXYKVFVVGNLE-FQEVSTJZSA-N 426.383 5.361 0 40 IKAB Cc1cc(C)c(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)c(C)c1 9394406 TXOTUPRRESAIAV-UHFFFAOYSA-N 428.601 6.654 0 40 IKAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4s3)CC2)cc1NC(=O)c1ccco1 9446132 BMZXHNPOAJJVJE-UHFFFAOYSA-N 445.544 5.470 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(Cl)c3)o2)cc1 9805769 ZLJZHSXCEQKRCL-UHFFFAOYSA-N 438.734 5.192 0 40 IKAB O=C(COCC(=O)N(c1ccccc1)c1ccccc1)Nc1cccc(Cl)c1Cl 9850648 JPDHCKYUTUYBKC-UHFFFAOYSA-N 429.303 5.313 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)/C=C/c4ccccc4)ccc3o2)cc(OC)c1OC 10120242 UMVLRSDGPDQIQV-FMIVXFBMSA-N 430.460 5.173 0 40 IKAB O=C(Cn1cc(-c2nnc(-c3ccccc3)o2)c2ccccc21)N1CCCc2ccccc21 11695943 PMXULHKBIHDURS-UHFFFAOYSA-N 434.499 5.338 0 40 IKAB COc1ccc(/C=C/C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2c2ccc(OC)cc2)cc1 12420232 BSMGAYAONYKFSM-GVUSLMEPSA-N 438.527 5.373 0 40 IKAB biogenic,in-vitro C[C@H]1Cc2ccccc2N1C(=O)CSc1nc2ccccc2n1CCc1ccccc1 12658293 AIDSZGWOPQJTKW-IBGZPJMESA-N 427.573 5.349 0 40 IKAB CC(=O)c1sc2nc(CN(C)Cc3ccc(-c4ccc(Cl)cc4)o3)[nH]c(=O)c2c1C 12676810 WZOKJMLLRDRVQW-UHFFFAOYSA-N 441.940 5.041 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)N(Cc2ccccc2)Cc2ccccc2)n1C 12818549 MXGJDPYUTXQISU-IBGZPJMESA-N 446.576 5.093 0 40 IKAB COc1ccc(Cl)cc1NC(=O)CCSCc1cc(Cl)c2c(c1)OCCO2 12903567 YVUOKLOXHIQFQP-UHFFFAOYSA-N 428.337 5.035 0 40 IKAB O=C(Nc1ccccc1Cl)C(=Cc1ccccc1Cl)C(=O)Nc1ccccc1Cl 13072560 WUDVWWBJASVMAT-UHFFFAOYSA-N 445.733 6.308 0 40 IKAB O=c1[nH]c(/C=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)nc2ccccc12 13137772 VZKQVBCIQLCWKN-CCEZHUSRSA-N 430.467 5.692 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2F)n1[C@@H](C)c1ccccc1 13512258 DULSWBHQSOIZPU-HNNXBMFYSA-N 436.512 5.326 0 40 IKAB O=c1[nH]n(C2CCCCCC2)c2c1[C@H](c1ccc(Cl)cc1Cl)SCC(O)=N2 13748942 REBKHNLELVQJEE-KRWDZBQOSA-N 426.369 5.803 0 40 IKAB Clc1cccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)c1 13776575 DBYKDXLWCPTVHU-AUSIDOKSSA-N 439.298 5.964 0 40 IKAB Cc1ccc(C)c(Sc2ccc(NC(=O)C3CCN(C(=O)c4ccco4)CC3)cc2)c1 14095875 YPJCWMPUTKHGGK-UHFFFAOYSA-N 434.561 5.539 0 40 IKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCC[C@H]1c1nnc2ccccn12 14190131 QFOKWNFPGDORDP-NRFANRHFSA-N 448.979 5.652 0 40 IKAB FC(F)(F)c1c2c(nn1-c1nc(-c3ccc(Br)cc3)cs1)CCCCC2 16957489 KJXYPEPEYUKTBU-UHFFFAOYSA-N 442.304 6.046 0 40 IKAB O=C(C1CCC1)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 19294044 VCFKXFSZFMHKAG-QFIPXVFZSA-N 431.515 5.275 0 40 IKAB CC[C@@H](NC(=O)c1cc(-c2cn(C)nc2C)nc2ccccc12)C12CC3CC(CC(C3)C1)C2 19637001 MNRHHJBECOCSDD-JUYOQADGSA-N 442.607 5.669 0 40 IKAB Cc1ccc2c(c1)-c1ccccc1S(=O)(=O)N2CC(=O)Nc1c(C)cccc1C(C)C 20063282 MWBSDAUTNLDSGH-UHFFFAOYSA-N 434.561 5.241 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN(CCc1ccc(F)cc1)CO3 20502093 YEWPWZZLFBOHJC-UHFFFAOYSA-N 443.518 5.534 0 40 IKAB COc1ccc(-n2cc(-c3ccccc3)c3c(N4CCc5ccccc5C4)ncnc32)cc1 21797939 RMPQGLRSXHYDTH-UHFFFAOYSA-N 432.527 5.659 0 40 IKAB COc1cc(CNCc2ccc(C)cc2)cc(Br)c1OCc1ccccc1 22076688 RFKHNVIIUCZLON-UHFFFAOYSA-N 426.354 5.635 0 40 IKAB O=S(=O)(/C(=C/c1c(Cl)cccc1Cl)c1nc2ccccc2[nH]1)c1ccccc1 25388046 LPLWSEJEMKVKTB-DEDYPNTBSA-N 429.328 5.842 0 40 IKAB O=C(N[C@@H](Oc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1cccs1 26771300 OOCWAJRQYKPXDU-LBPRGKRZSA-N 429.550 5.016 0 40 IKAB COc1ccc(NC(=O)c2cccc(Cn3nc(C)c(Br)c3C)c2)cc1Cl 27970677 XSWRNXZQFBTDTM-UHFFFAOYSA-N 448.748 5.225 0 40 IKAB CCN(C(=O)COc1ccccc1Cl)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27994770 XHLCXVAZEHPQMB-AREMUKBSSA-N 432.951 6.147 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc(OCc3ccccc3Cl)cc2)cc1OC 30852507 SGGSEQXAERDZEB-INIZCTEOSA-N 425.912 5.427 0 40 IKAB CCOc1c(Br)cc(/C=C(\Cl)c2nc(-c3cccs3)no2)cc1OC 32743594 XXUPTVIXYGWOLS-WQLSENKSSA-N 441.734 5.705 0 40 IKAB O=C(Nc1ccc(F)cc1)/C(=C/c1ccc(Br)cc1)NC(=O)c1cccs1 33342597 NSYAGTDUPMEQEC-ATVHPVEESA-N 445.313 5.059 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)Nc3ccccc3Cl)ccc2Cl)c1 33366245 SPKFGXWRRWNDCE-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB CCCC[C@H](C(=O)O)N1C(=O)/C(=C/c2ccc(-c3ccccc3Cl)o2)SC1=S 35039651 XUKGNXYFJMFDNT-QJISPJEISA-N 435.954 5.445 0 40 IKAB CCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1[C@@H](C)NC(=O)c1ccc(C)cc1 35104632 DWJXLYJYEDRHGZ-CQSZACIVSA-N 449.407 5.697 0 40 IKAB CNC(=O)c1sc(N2N=C3/C(=C\c4ccccc4)CCC[C@@H]3[C@H]2c2ccccc2)nc1C 51330456 FCHAMQYISDHWJM-BVGOTIDCSA-N 442.588 5.612 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c1C 57270654 LGOMQQJSAOGDOM-GCJKJVERSA-N 427.548 5.308 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)c3ccc(-c4cccc(Cl)c4)o3)nn12 57313204 ROXRIEUSWMBPBX-UHFFFAOYSA-N 435.896 5.327 0 40 IKAB CC(C)c1ccc(C(=O)CSc2ccc(-c3ccc(C4CCCCC4)cc3)nn2)cc1 57486345 SHHSMQSNYCDNKH-UHFFFAOYSA-N 430.617 7.290 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2cccc(Cl)c2)no1)Nc1cc(F)ccc1Cl 57487271 JVQARTDUTRPZBY-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB Cc1ccc(-c2csc3ncnc(N[C@H](c4ccccc4)c4nnc(C)n4C)c23)cc1C 58378493 XIFWYYJELZHSMD-JOCHJYFZSA-N 440.576 5.614 0 40 IKAB CC(C)Oc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)cc1 67261524 ITMYPCKHMVKOOI-UHFFFAOYSA-N 443.938 5.997 0 40 IKAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(OC[C@H]2CCCO2)c1 70010469 UWRAPZNOIZXQAL-HXUWFJFHSA-N 447.560 5.110 0 40 IKAB COc1ccc(C(C)(C)C(=O)N2CCC[C@@H]2c2cccc(Nc3cccc(C)n3)n2)cc1 72375890 SKGUJDMAOIRMEE-JOCHJYFZSA-N 430.552 5.179 0 40 IKAB COc1ccc(C2=NN(C(=O)c3ccccc3Cl)[C@@H](c3ccccc3F)C2)c(OC)c1 95945223 VDOSDLIGYIAFKI-JOCHJYFZSA-N 438.886 5.488 0 40 IKAB O=C(Nc1cccc(Cl)c1)c1cc(-c2cnc(-c3ccccc3)nc2)cn1CC1CC1 96037736 VUNAIQQVJMFJRG-UHFFFAOYSA-N 428.923 5.928 0 40 IKAB CCCCCn1c(-c2ccc(C)cc2)c(NC(=O)c2ccco2)s/c1=N/c1ccccc1 100858893 YUAUSJVDGWPYIP-CYYJNZCTSA-N 445.588 6.793 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1)[C@H]1C=C[C@H]2C1=C(c1ccccc1)c1ccccc1 101104903 FXOXRVIAADCBDS-JPMIEVGJSA-N 437.926 5.764 0 40 IKAB Cc1ccc(N2C(=O)[C@@H]3ON(c4ccccc4)[C@@H](c4cccc5ccccc45)[C@H]3C2=O)cc1 102707412 CKHWGQAGHQQPTC-UODIDJSMSA-N 434.495 5.199 0 40 IKAB Cc1ccc(CN2C(=O)S/C(=C\c3ccccc3OCc3ccccc3F)C2=O)cc1 106701230 BWGDNUZTYJFAEB-UCQKPKSFSA-N 433.504 5.950 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCCOc4ccccc4)c3)C2=O)c1 214623394 AKZXTEYAPSOWSS-JJIBRWJFSA-N 445.540 5.689 0 40 IKAB CC(C)c1ccc(CCCNC(=O)COc2ccc(C(C)C)cc2Br)cc1 218878264 XMSRFFIJUWEEAP-UHFFFAOYSA-N 432.402 5.824 0 40 IKAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccc(-c4cccc(Cl)c4Cl)o3)N21 222713326 HVDXZQGETAPWNK-SKOKVVANSA-N 444.387 6.628 0 40 IKAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Sc2ccc(Cl)cc2)o1 222980596 DGWPPPLATBCRGM-SFTDATJTSA-N 444.025 6.252 0 40 IKAB Cc1cc(C)c([C@@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1C 223450859 MLEKXFMGWZOUJE-QGZVFWFLSA-N 426.354 5.784 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)c1 224314910 COECUMIGFONYQW-LOSJGSFVSA-N 425.557 6.136 0 40 IKAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1COc1ccc2ccccc2c1 224317823 ZLHHNOPJMXTOHE-UHFFFAOYSA-N 441.483 5.086 0 40 IKAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCSc1ccc(C)cc1 224779022 PAGSZAJKTHKUAO-GOSISDBHSA-N 433.017 5.074 0 40 IKAB O=C(Cc1ccc(-c2ccccc2)cc1)Nc1ccccc1SCc1ccc(Cl)cc1 224979878 UQRXGEJZOKWZJU-UHFFFAOYSA-N 443.999 7.481 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(C)c(C)c1 225371493 JUGSLGBSSVENCX-SANMLTNESA-N 434.624 5.145 0 40 IKAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225442537 NBPOCNPLGDNLMR-VWLOTQADSA-N 436.640 5.293 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccc(OC)cc3)CCCCC2)c2ccccc12 225768883 XTXBSSIWPCQKDZ-UHFFFAOYSA-N 431.576 6.868 0 40 IKAB Cc1ccc([C@H](NC(=O)c2cccc(OCc3ccccc3Cl)c2)c2ccccc2)cc1 225778413 XUZQMYDFYWDDBS-HHHXNRCGSA-N 441.958 6.747 0 40 IKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1nc(Cl)cc(Oc2ccccc2)n1 225972848 GYPUZIJFVJGEKX-UHFFFAOYSA-N 438.984 5.721 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@@H]2CCCCN2C(=O)c2cc3c(nc2O)CCC3)n1 257237627 HHJFGGKXBHFWIE-DEOSSOPVSA-N 431.511 5.153 0 40 IKAB CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@@H]2CC[C@@]2(C)[C@H]([C@H](C)/C=C/[C@H](C)C(C)C)CC[C@@H]32)C1 257350519 YAXRKAKOIWXVHL-PVNZYURXSA-N 440.712 7.982 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCCN4CCC[C@H](C)C4)cc3)CCCC2)cc1 260812563 GPLZMDPCBLORQB-QHCPKHFHSA-N 434.624 5.946 0 40 IKAB O=C1CS[C@H](c2cccc(OCc3ccccc3Cl)c2)N1c1ccc(Cl)cc1 408558113 PVYWOJCDNVDKJQ-JOCHJYFZSA-N 430.356 6.351 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 408563575 OIVQUUNMACWVLR-KNQAVFIVSA-N 438.490 5.143 0 40 IKAB COc1cc(C(=S)NCc2ccc(Cl)cc2)cc(Cl)c1OCc1ccccc1 408574216 LAAOODRIRZBNFP-UHFFFAOYSA-N 432.372 6.046 0 40 IKAB O=C(CSCc1ccc(Br)cc1)Nc1ccccc1Oc1ccccc1 408575788 RCQWLQAQYFSPOK-UHFFFAOYSA-N 428.351 6.113 0 40 IKAB CCc1ccc(CNC(=S)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)cc1 408578560 YTJWIOBWBUIMCW-UHFFFAOYSA-N 430.400 6.600 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)NC3CCCCCCC3)ccc2C)c(C)c1 408602146 CMBDAARUCDOLKV-UHFFFAOYSA-N 428.598 5.255 0 40 IKAB Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(-c4ccccc4)o3)C2=O)cc1C 408929300 VMCOVXKLMJZDOM-FYJGNVAPSA-N 432.501 5.238 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3-c3ccccc3)sc1CC2 409055304 YJVDNACIBMPBBD-UHFFFAOYSA-N 426.541 6.145 0 40 IKAB CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc(Cl)cc1Cl 409109771 LAQSHNHJCSQHJE-UHFFFAOYSA-N 430.375 7.146 0 40 IKAB CCCCCN1C(=O)S/C(=C\c2cc(OC)c(OCC)cc2Br)C1=O 409211647 NLKJFJBEYMXBPY-YBEGLDIGSA-N 428.348 5.083 0 40 IKAB CC(C)N(Cc1ccc(-c2cccc(F)c2)s1)C(=O)Nc1ccc(C(F)(F)F)cc1 1615055778 PVBAOKFOCQTJCM-UHFFFAOYSA-N 436.474 7.016 0 40 IKAB COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)C3(c4ccc(F)cc4)CCCC3)n2)cc1 1848355710 IKCQSLKJNAUJDI-DEOSSOPVSA-N 445.538 5.467 0 40 IKAB O=C(Nc1ccccc1N1CCN(C(=O)c2ccccc2)CC1)c1cccc2ccccc12 725000 SDPSYHFXDJOPFU-UHFFFAOYSA-N 435.527 5.055 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(-c3cccnc3)n2-c2cccc(Cl)c2)c1 1224001 ODUFQIBJKNFUDO-UHFFFAOYSA-N 435.940 5.022 0 40 IKAB Cc1cccc2cc(CN(Cc3ccco3)C(=S)N[C@@H](C)c3ccccc3)c(=O)[nH]c12 1224267 IUKJQVRIGVQMIL-SFHVURJKSA-N 431.561 5.067 0 40 IKAB O=C(NC1CCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1ccc(F)c(Cl)c1 1380204 PVDLFCZHDHXGKY-QFIPXVFZSA-N 440.902 5.519 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1 1396422 XNSIJFPYTXYWEO-UHFFFAOYSA-N 441.236 5.475 0 40 IKAB CCCc1nc2sc3c(SCc4ccc5c(c4)OCO5)ncnc3c2c2c1CCCC2 1781443 WEHPOFQIUAXFLD-UHFFFAOYSA-N 449.601 6.092 0 40 IKAB CCOc1ccccc1Oc1c(C(F)(F)F)oc2cc(OC(=O)C(C)C)ccc2c1=O 1936269 VWOLILDEMLWTTD-UHFFFAOYSA-N 436.382 5.564 0 40 IKAB CC(=O)Nc1ccc(C(=O)COc2c(-c3ccc(Cl)cc3)oc3ccccc3c2=O)cc1 1993972 OKKHQDHVPDARGH-UHFFFAOYSA-N 447.874 5.334 0 40 IKAB CC(C)c1ccc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)O)cc1 2243989 CYWZFTHNAOVKQG-VWLOTQADSA-N 429.516 5.344 0 40 IKAB biogenic CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 2265663 BHOCTWYDPRAXIO-KDOFPFPSSA-N 448.589 5.029 0 40 IKAB CC1=CC(C)(C)N(C(=O)NC2CCCCC2)c2ccc(OC(=O)NC3CCCCC3)cc21 2291702 JNZOZKMZPKKGBC-UHFFFAOYSA-N 439.600 6.152 0 40 IKAB C[C@H](Sc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)Nc1cccc(Cl)c1 2644999 VCZHGVBNJDSCJL-LBPRGKRZSA-N 441.965 5.424 0 40 IKAB CCOc1ccc(S(=O)(=O)c2c(C(=O)c3ccc(C)cc3)cnc3ccc(F)cc23)cc1 2715793 YPTCGKJTMWWIAI-UHFFFAOYSA-N 449.503 5.145 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)c1ccc(Br)cc1 3140376 FMRCSPMKKSDCCR-UHFFFAOYSA-N 435.346 6.492 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccncc4)nc4ccccc34)n2)cc1C 3326273 ZVMXQKBWGBEFFJ-UHFFFAOYSA-N 436.540 6.289 0 40 IKAB CN(C(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)C1CCCCC1 3506420 IHPSGXYQGSTPGB-UHFFFAOYSA-N 432.659 5.319 0 40 IKAB CCCCNS(=O)(=O)c1ccc2c(c1)nc(Cc1ccc(Cl)cc1)n2CCCC 6130884 KZCMDNCURHSHOT-UHFFFAOYSA-N 434.005 5.159 0 40 IKAB CCOc1ccccc1[C@@H]1Nc2ccc(Br)cc2C(=O)N1c1cccc(C)c1 8432250 IWCIUIYQTDHEFY-JOCHJYFZSA-N 437.337 5.927 0 40 IKAB C[C@H]1CCN(C(=O)c2cc3nc(-c4ccccc4)cc(C(F)(F)F)n3n2)[C@@H]2CCCC[C@H]12 8444544 PXTKIPXFRAYYAB-XAUMDUMWSA-N 442.485 5.456 0 40 IKAB CCCSC1=NC2(CCN(C(=O)NC3CCCCC3)CC2)N=C1c1ccc(Cl)cc1 8598130 PCTIBUXXMQMKFY-UHFFFAOYSA-N 447.048 5.519 0 40 IKAB COc1ccc(NC(=O)/C(Cl)=C(/Cl)SCc2cccc(C(F)(F)F)c2)cn1 8733575 XMJDMEHYGWCLTO-CCEZHUSRSA-N 437.270 5.628 0 40 IKAB COc1ccc(-c2nc(-c3ccccc3)cc3sc(C(=O)c4ccccc4)c(N)c23)cc1 8742318 JOEZOTXEQZNJII-UHFFFAOYSA-N 436.536 6.452 0 40 IKAB C[C@@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc2c(c1)OCCO2 8826305 MRDIZTNNEUVFEJ-OAHLLOKOSA-N 431.517 5.174 0 40 IKAB CCN1CCN(c2ccc(NC(=O)c3ccc(-c4ccc(Cl)c(Cl)c4)o3)cc2)CC1 8832661 QDMMHKFVFTYYGV-UHFFFAOYSA-N 444.362 5.648 0 40 IKAB CCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 8846086 SSVHMPKKCWBHOI-DEOSSOPVSA-N 440.499 5.425 0 40 IKAB Cc1ccc(C(=O)c2oc3ccccc3c2NC(=O)c2cc(=O)c3ccccc3o2)cc1F 8868033 PPPBXTLKNLJJLE-UHFFFAOYSA-N 441.414 5.470 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2cccc(Cl)c2)CC1=O 8871359 KYOPYFOOPNSSGD-GOSISDBHSA-N 431.923 5.267 0 40 IKAB CC(C)n1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cc2ccccc2o1 8883311 LBSCRHBWGWIURT-CQSZACIVSA-N 431.521 5.362 0 40 IKAB Cc1ccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)c(C)c1 9064845 OUBLKOIFDCBDAS-VMPITWQZSA-N 445.371 6.397 0 40 IKAB C[C@H](Sc1nnc(C2CC2)n1-c1ccccc1)C(=O)Nc1nc(-c2ccccc2)cs1 9111821 HIHIPDZUSHOVBI-HNNXBMFYSA-N 447.589 5.388 0 40 IKAB Clc1cccc([C@@H]2C[C@@H](c3ccc(Br)cc3)Nc3nc4ccccc4n32)c1 9290912 MOVQQQYSHFCABJ-FPOVZHCZSA-N 438.756 6.599 0 40 IKAB CC[C@H](C(=O)Nc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2ccccc12)c1ccccc1 9518492 JNYYMNUFVOKABA-SFHVURJKSA-N 442.471 5.546 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)n1Cc1ccccc1 9544291 RRTHGKUBEPUKFE-UHFFFAOYSA-N 447.604 5.772 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1cccc(C)c1 9553420 PFDHLNGHGPKMPW-XKZIYDEJSA-N 431.463 5.456 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3sc4ccccc4c3Cl)o2)cc1F 9633405 RXLVVHCWSFWXDE-UHFFFAOYSA-N 433.917 5.783 0 40 IKAB O=C(c1ccc(Cl)s1)N(CCCn1ccnc1)c1nc2c(F)cc(F)cc2s1 10381588 CACOICCVPPAYJS-UHFFFAOYSA-N 438.912 5.223 0 40 IKAB CCN(CC(=O)Nc1c(Cl)cccc1Cl)C(=O)c1ccc(-c2ccc(F)cc2)o1 12483902 DBFGVYXJAIJHNE-UHFFFAOYSA-N 435.282 5.493 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccccc2)n1Cc1ccccc1 12494127 OSGPTKVOKDFYEX-SFHVURJKSA-N 444.560 5.121 0 40 IKAB O=C1c2ccccc2N[C@](c2nc3ccccc3s2)(C(F)(F)F)N1Cc1ccco1 12605960 ZIEKMYWOVZHIME-FQEVSTJZSA-N 429.423 5.373 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cccc(NC(=O)c4cccs4)c3)n2)cc1C 12620699 BHTPLZYKBATKJL-UHFFFAOYSA-N 433.558 5.993 0 40 IKAB CC1=C[C@@H](C)[C@]2(COC(=O)NC3CCCCC3)CO[C@H](c3ccc4c(c3)OCO4)[C@H]1[C@H]2C 12653954 OLBNGLBVDWDALE-IOZXGLFCSA-N 441.568 5.380 0 40 IKAB biogenic COc1ccc(C)cc1CN(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12808780 VRVFCLZDEHTZBQ-UHFFFAOYSA-N 427.504 5.301 0 40 IKAB O=C(N[C@H](c1ccccc1)c1cc2ccccc2o1)[C@@H]1CCCN(C(=O)c2cccs2)C1 12891377 MEAOYFXKSHYNDC-HYBUGGRVSA-N 444.556 5.252 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1csc(Cc2cccc(C(F)(F)F)c2)n1 12956763 CTLHMSBCPBELCT-UHFFFAOYSA-N 431.266 6.312 0 40 IKAB CC[C@H](c1nnnn1C1CCCC1)N(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C1CCCC1 13064824 PPORNZZGUNGVFE-XMMPIXPASA-N 448.615 5.142 0 40 IKAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3nc(-c4ccc(F)c(F)c4)cs3)nc2c1 13076281 RCBNMAPXMJAXQV-NSHDSACASA-N 430.505 5.392 0 40 IKAB COc1ccccc1-n1cnnc1SCc1ccc(-c2ccc(Br)cc2)o1 13113477 CJEITAAPDKDHND-UHFFFAOYSA-N 442.338 5.591 0 40 IKAB O=C(CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1)c1ccc(Br)cc1 13569982 UNJKGGWCGYGIPH-UHFFFAOYSA-N 442.294 5.129 0 40 IKAB O=C(NCCc1nc2ccccc2n1CCOc1ccc2ccccc2c1)C1CCCCC1 13831580 BVQFJGXHSDAJHA-UHFFFAOYSA-N 441.575 5.508 0 40 IKAB COc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1NC(=O)Nc1cccc(Cl)c1 16227025 DCTPPMYEARDZLL-UHFFFAOYSA-N 445.306 6.290 0 40 IKAB O=C(Sc1nc(-c2cc3ccccc3oc2=O)cs1)c1cccc(C(F)(F)F)c1 16525629 YHHZNEBOMMPNKS-UHFFFAOYSA-N 433.432 5.868 0 40 IKAB Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nnc2-c2cccc(C)c2)cc1 16788942 DDXMJJOCTGEZBF-UHFFFAOYSA-N 446.551 5.729 0 40 IKAB COc1c(C(=O)Nc2ccccc2N2CCCC2)cc2ccccc2c1Br 17094308 RZBYFUBPTXPBLP-UHFFFAOYSA-N 425.326 5.463 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)c3cc4ccccc4o3)cc2Cl)CC1 17095663 DUIHWNNLZTVGKO-UHFFFAOYSA-N 427.957 5.449 0 40 IKAB c1ccc2sc(SCN3CCN(CSc4nc5ccccc5s4)CC3)nc2c1 19366393 MIPSUTNNEZHRHC-UHFFFAOYSA-N 444.676 5.323 0 40 IKAB C[C@@H]1CCCN(c2ncc(-c3cccnc3)c([C@@H]3CCCN(C(=O)C4CCCCC4)C3)n2)C1 19496635 PLNUAKYXAQBNBW-NFBKMPQASA-N 447.627 5.061 0 40 IKAB Cc1cc(C)cc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)c1 19819725 FUVPEEQSOWWALK-UHFFFAOYSA-N 433.602 5.285 0 40 IKAB c1ccc(CSc2ncnc3c2sc2nc(N4CCOCC4)c4c(c23)CCCC4)cc1 19946844 JGFXPKNCPKUXKK-UHFFFAOYSA-N 448.617 5.247 0 40 IKAB Cc1cc(OCC(=O)Nc2nc3ccc(C(=O)OC(C)C)cc3s2)cc(C)c1Cl 20411842 CZTWDOYEZOQQTC-UHFFFAOYSA-N 432.929 5.149 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCSc3ccccc3)c2)cc1 20492812 KJIMKJHBNRATSP-UHFFFAOYSA-N 432.589 6.357 0 40 IKAB CCOc1cc(OCC)cc(C(=O)Nc2ccc3nn(-c4ccc(C(C)C)cc4)nc3c2)c1 20610504 FEWMMHXAYRBZRF-UHFFFAOYSA-N 444.535 5.594 0 40 IKAB COc1ccc(NC(=O)c2sc(COc3ccc(C(C)(C)C)cc3)nc2C)cc1Cl 27912530 ROEKSSWKSTVILU-UHFFFAOYSA-N 444.984 6.242 0 40 IKAB Cc1cc(NC(=O)COc2ccc(C(C)C)cc2)ccc1NC(=O)c1cc2ccccc2o1 32114486 NFBNARSVGISPIU-UHFFFAOYSA-N 442.515 6.134 0 40 IKAB CCc1ccc(C(=O)COC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 33614674 RKVKWVXTJDBATK-UHFFFAOYSA-N 429.903 6.157 0 40 IKAB COc1cc(/C=C2/SC(=S)N(C(C)(C)C)C2=O)ccc1OCc1ccc(Cl)cc1 35039599 YUSGNLQACFFBJF-XDHOZWIPSA-N 448.009 5.927 0 40 IKAB COc1ccc(NC(=S)N(CCc2nc3ccccc3[nH]2)Cc2ccc(C)cc2)cc1 35313990 SJNLSVJDLGPFGE-UHFFFAOYSA-N 430.577 5.322 0 40 IKAB COCc1ccc(C(=O)C(c2nc3ccccc3s2)c2nc3ccccc3s2)cc1 40150553 APLZKHUPEAGNQD-UHFFFAOYSA-N 430.554 6.067 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSCc2c(Cl)cccc2Cl)cc1Cl 44839900 KLWFWCAJBNVDOU-UHFFFAOYSA-N 432.756 5.695 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](c1ccccc1)N(C)Cc1nc2ccccc2s1 49655128 PZJSOJXSJGBDPL-DEOSSOPVSA-N 431.561 5.425 0 40 IKAB C[C@H](N[C@@H](c1ccccc1)c1cccs1)C(=O)Nc1ccc(Br)cc1F 57452441 UALUEOHVMCIOCF-DJJJIMSYSA-N 433.346 5.356 0 40 IKAB COc1ccc(NCc2cc3c(-c4cccc(F)c4)nn(-c4ccccc4)c3[nH]c2=O)cc1 57721166 LOULTMQQHMRJRK-UHFFFAOYSA-N 440.478 5.141 0 40 IKAB CCCn1c(SCc2noc(-c3ccc(Cl)cc3)n2)nc2cc(Cl)ccc2c1=O 57963513 QMOXYBODIJQNBS-UHFFFAOYSA-N 447.347 5.456 0 40 IKAB Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)Nc3ccccc3Oc3cccc(F)c3)C2)c1 84211053 COSYXTBQOWRANO-LJQANCHMSA-N 447.510 5.809 0 40 IKAB Cc1csc(-c2ccc(C(=O)Nc3cc(C(F)(F)F)ccc3N3CCOCC3)cc2)n1 84271385 MVSMHSIFIZOKLW-UHFFFAOYSA-N 447.482 5.226 0 40 IKAB Clc1ccc(Cn2cc3c(-c4ccccc4)nnc-3c3cc4c(cc32)OCCO4)cc1 101488854 JLRUEXVQIVKLMU-UHFFFAOYSA-N 427.891 5.676 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3ccc4oc(-c5ccc(C)c(C)c5)nc4c3)o2)cc1C 108240315 RAIPMEOBUWWROT-UHFFFAOYSA-N 436.511 7.241 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(CN(c3c(C)cccc3C)S(C)(=O)=O)cc2)c1 113965270 LLDZDRINKPLXKC-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB CNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1cccc2ccccc12 222678969 YEJRZJUGMPSVOD-MRXNPFEDSA-N 443.374 5.243 0 40 IKAB CC[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 222919491 PAHRJSSXQJZNPR-HSZRJFAPSA-N 434.536 5.303 0 40 IKAB COCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(C)c(Cl)c2)o1 223074574 DHLKSAOHAOVPGS-FGZHOGPDSA-N 441.984 5.312 0 40 IKAB CCOc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)cc1 223109781 WEBQKYHPYCZXSJ-LOSJGSFVSA-N 446.620 5.576 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CSCc1ccc(F)cc1 223646154 ANRBKXYWIHBEJH-HSZRJFAPSA-N 444.616 5.091 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1COc1ccc2ccccc2c1 224311918 OTOAPPTWZGLUJI-UHFFFAOYSA-N 425.528 6.803 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cc(C)ccc1C 224469767 ZBUGVSRDBHJVIA-OAQYLSRUSA-N 435.395 5.096 0 40 IKAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 224533503 IQEXFXKCHCUOFE-LZWSPWQCSA-N 447.343 5.446 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccs2)N1c1ccc(Oc2ccccc2)cc1 224625120 WAUUVZLCOVLQBN-XZOQPEGZSA-N 429.570 6.113 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 224638478 LIGWFWMNINEESO-LJQANCHMSA-N 429.004 5.338 0 40 IKAB Cc1ccccc1C(=O)N/C(=C\c1ccco1)C(=O)Nc1ccc2c(c1)oc1ccccc12 225151859 BASIMLBWQAZLDV-KQWNVCNZSA-N 436.467 5.897 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 225493811 HGLVDJIVJLZXKH-REWPJTCUSA-N 426.626 5.118 0 40 IKAB C[C@@H]1CCN(C(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccco2)N3)[C@@H]2CCCC[C@@H]12 229926855 OCBGRIQTTYHAGA-MOXHTAKSSA-N 436.478 5.177 0 40 IKAB Fc1ccccc1O[C@@H]1COC2(CCN(Cc3ccccc3OCc3ccccn3)CC2)C1 257201123 AGJNXQNNXDLZEK-QHCPKHFHSA-N 448.538 5.002 0 40 IKAB CCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)CC2CCCC2)CC1 257292150 QKFAEHGPIZOOSO-UHFFFAOYSA-N 438.637 5.283 0 40 IKAB CCOc1cc(CNc2ccc(F)c(Cl)c2)cc(I)c1OC 408610696 RMBLOTLMFYHHQH-UHFFFAOYSA-N 435.664 5.103 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3cccc(C)c3)n(-c3cccc(Cl)c3C)n2)cc1 408693638 BHPYAHMEEGAMGG-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB CCn1cc(C(=O)Nc2ccc(Cl)cc2C(=O)c2ccccc2)c(=O)c2ccccc21 408712910 AZPPEGILFHRXCL-UHFFFAOYSA-N 430.891 5.158 0 40 IKAB COc1ccc([C@H](NC(=O)N2CCCC[C@H]2c2nc3ccccc3[nH]2)C(C)C)cc1OC 604418927 RJJUTPSMBSETMR-NZQKXSOJSA-N 436.556 5.214 0 40 IKAB CC1(C)CN(c2ccccc2)C(=O)[C@@H]1OC(=O)[C@@H]1CC2c3ccccc3C1c1ccccc12 688159 LJQCICPMTOGJIE-WRGVWOLQSA-N 437.539 5.269 0 40 IKAB CCc1ccccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCCC3 1239761 LTYDETQUHYVIFB-UHFFFAOYSA-N 431.561 6.222 0 40 IKAB CCc1ccccc1-n1c(SCC(=O)Nc2ccccc2Cl)nnc1-c1cccnc1 1328639 DGRFCOMUWZQWAW-UHFFFAOYSA-N 449.967 5.276 0 40 IKAB CS(=O)(=O)c1ccc(C(=O)Nc2ccc(Sc3ccc(F)cc3)cc2)c(Cl)c1 1396781 HECHSIBIADATLP-UHFFFAOYSA-N 435.929 5.286 0 40 IKAB O[C@H](c1ccccc1)c1c(-c2ccccc2)oc(-c2ccccc2)c1[C@H](O)c1ccccc1 1619553 JLPBSURDZWABLC-VSGBNLITSA-N 432.519 6.777 0 40 IKAB CCCCc1ccc(NC(=O)CCc2c(C)c3cc4c(C)c(C)oc4cc3oc2=O)cc1 2095604 FYDKFZZAVDWAOS-UHFFFAOYSA-N 431.532 6.378 0 40 IKAB biogenic COc1ccc(C(=O)C[C@H](c2ccccc2)[C@H]2CCCCN(c3ccccc3)C2=O)cc1 2097577 LCPKZYWDWZRWST-CLJLJLNGSA-N 427.544 5.885 0 40 IKAB biogenic Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O 2211443 SFTGMTHFBBDPDP-VWLOTQADSA-N 447.575 5.894 0 40 IKAB CC(C)(C)c1ccc(C2=N/C(=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)C(=O)O2)cc1 2285192 OVDRZWZANJLRSP-XSFVSMFZSA-N 439.433 6.607 0 40 IKAB Nc1nc(Nc2cccc(C(F)(F)F)c2)sc1C(=O)c1ccc(Br)cc1 2349392 PNAXUPMLHLQWGA-UHFFFAOYSA-N 442.260 5.481 0 40 IKAB Cc1cccc(N2CCN(C(=O)c3oc4ccc(Br)cc4c3C)CC2)c1C 2638748 KTCAYKCZNFIJMG-UHFFFAOYSA-N 427.342 5.083 0 40 IKAB O=C(COc1ccc2c(=O)c(Oc3ccc(-c4ccccc4)cc3)coc2c1)N1CCCC1 2647111 GWQNSPCZSSNTLL-UHFFFAOYSA-N 441.483 5.254 0 40 IKAB CCOc1ccc(C(=O)c2cn(Cc3ccccc3)c3ccc(OCC)cc3c2=O)cc1 2687679 BHONRDJEMBCPBX-UHFFFAOYSA-N 427.500 5.078 0 40 IKAB Cc1cc(C)c2nc(NC(=O)[C@@H](NC(=O)c3ccc(C(C)(C)C)cc3)C(C)C)sc2c1 3361006 BNNYXPCFDWXCAC-FQEVSTJZSA-N 437.609 5.604 0 40 IKAB Cc1cc(C(=O)CSc2nnc(-c3ccccc3Br)o2)c(C)n1C1CC1 3412570 KUZZRYJOTZHLHO-UHFFFAOYSA-N 432.343 5.227 0 40 IKAB CCN(CC)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(-c4ccsc4)nc3[C@@H](C)[C@@H]2[C@H]1O 3840664 ZQCZCDVKIPCHEE-IXMAWCDFSA-N 446.682 5.429 0 40 IKAB biogenic,in-vitro CCCCNS(=O)(=O)c1ccc2c(c1)nc(SCc1ccccc1F)n2CCCC 6132037 XYMRGSUQRNNVBZ-UHFFFAOYSA-N 449.617 5.346 0 40 IKAB CCOC(=O)c1c(NC(=S)NCc2ccccc2)sc2c1CC[C@H](C(C)(C)C)C2 6599768 WEUPEKIOUHPJPK-INIZCTEOSA-N 430.639 5.562 0 40 IKAB Cc1ccc(C(C)C)c(OCCn2c(CCNC(=O)c3ccco3)nc3ccccc32)c1 8752595 XKELFYBNQDTHPX-UHFFFAOYSA-N 431.536 5.113 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cccc3ccccc23)cc1F)c1ccc(F)cc1 8810828 JIMJLOVZBUBHHA-UHFFFAOYSA-N 438.455 5.171 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(F)cc1)N(Cc1cccnc1)C3=O 8845967 JPNIKOIXWQKTHA-NRFANRHFSA-N 434.854 5.034 0 40 IKAB Clc1ccc(Cn2c(COc3ccc4ccccc4c3)nc3ccccc32)c(Cl)c1 8860227 IXCTVGZMJKYAPT-UHFFFAOYSA-N 433.338 7.124 0 40 IKAB CCCc1oc2ccc(NS(=O)(=O)c3c(C)cc(C)cc3C)cc2c1C(=O)OCC 8974097 CEYJTADGROESNV-UHFFFAOYSA-N 429.538 5.288 0 40 IKAB c1ccc(CCNc2ncnc3c2sc2nc(-c4ccccc4)c4c(c23)CCCC4)cc1 9057589 AVSCFGDNSRLKCA-UHFFFAOYSA-N 436.584 6.440 0 40 IKAB COc1cc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)ccc1OC(F)F 9244829 UQXZRRNXLGWJTL-AWGFCZPBSA-N 433.451 5.416 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2C)c(SCC(=O)N[C@@H](C)c2ccccc2)n1 9250103 ZRKQVANFHUWSIJ-IBGZPJMESA-N 433.577 5.229 0 40 IKAB Cc1ccc(CN(Cc2ccco2)C(=O)c2oc3ccc(Br)cc3c2C)cc1 9431936 NOUKRVXGYMVACR-UHFFFAOYSA-N 438.321 6.248 0 40 IKAB O=C(NCCC(c1ccccc1)c1ccccc1)C1CCN(C(=O)Nc2ccccc2)CC1 9491819 WENMJXDIXYHWFV-UHFFFAOYSA-N 441.575 5.269 0 40 IKAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(-c3cc4c(s3)CC[C@@H](C)C4)o2)c1C 9618839 AQMZIDWDPCDMGI-SNVBAGLBSA-N 429.567 5.045 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2ccccc2)cc1 9639191 NYEHPOVRHVCRFT-MRXNPFEDSA-N 430.533 5.103 0 40 IKAB CN(C)C(=O)[C@H](Sc1nnc(-c2ccccc2F)n1Cc1ccccc1)c1ccccc1 9647771 RVJTVNDESUUXMA-JOCHJYFZSA-N 446.551 5.054 0 40 IKAB C[C@@H](c1nnc(SCC(=O)c2ccc3ccccc3c2)n1-c1ccc(F)cc1)N(C)C 9781560 ULMINKSZCQZRGA-INIZCTEOSA-N 434.540 5.157 0 40 IKAB O=C(CN1CCC[C@@H]1c1nc2ccccc2s1)Nc1ccccc1Cc1ccccc1 9885115 AXTSIBOQKPWFEK-HSZRJFAPSA-N 427.573 5.663 0 40 IKAB COc1ccc(NC(=O)c2ccc(C)c(NS(=O)(=O)c3ccc(C)cc3)c2)cc1Cl 10365408 NOBDLTWOWLALIQ-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB COc1ccc(CN2CCC(Cc3ccccc3-c3ccc(C)cc3C)(C(=O)O)CC2)cc1 12234816 HASATTDFBVDMJD-UHFFFAOYSA-N 443.587 5.889 0 40 IKAB CN(C(=O)c1ccco1)c1nc(-c2ccc3c(c2)CCCN3C(=O)C2CCCC2)cs1 12326092 ZCNHBEXTEOIPRJ-UHFFFAOYSA-N 435.549 5.149 0 40 IKAB O=c1[nH]c(-c2ccc(OCc3cccc4ccccc34)cc2)nc2sc3c(c12)CCCC3 12360366 OFMURKBUFAEVSV-UHFFFAOYSA-N 438.552 6.263 0 40 IKAB Cc1nc(CSc2ccc(C(=O)N3CCC(C(=O)c4ccccc4)CC3)cc2)cs1 12779633 VPTZRYGGARPWQX-UHFFFAOYSA-N 436.602 5.479 0 40 IKAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cc3nc4ccccc4s3)cc2)n1C1CC1 12862789 APHPZJZTYRYHQZ-CQSZACIVSA-N 449.605 5.241 0 40 IKAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(=O)c2ccccc2Br)cc1 13027684 WZYLFTPIYBICKV-QFIPXVFZSA-N 435.321 5.449 0 40 IKAB COc1ccc(Br)cc1-c1nc(-c2ccccc2)c(-c2ccc(Cl)cc2)[nH]1 13597693 ZVPYKOWEDBSDMA-UHFFFAOYSA-N 439.740 6.835 0 40 IKAB Fc1ccc([C@@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F 13660839 STGYRQHAKGNANI-PXNSSMCTSA-N 447.304 6.031 0 40 IKAB Cn1c(-c2ccc(F)cc2)c([C@H]2c3ccccc3C(=O)N2C2CCCCC2)c2ccccc21 13943850 OMYCCTHZXBEORX-MUUNZHRXSA-N 438.546 6.862 0 40 IKAB Cc1cc(-c2ccccc2)nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)n1 14152824 DKKHGYKQIXKKAL-UHFFFAOYSA-N 437.874 5.855 0 40 IKAB COc1cc(NC(=O)c2cc(Cl)ccc2Cl)ccc1NC(=O)c1ccccc1Cl 14273023 PWOFQDNTCABJJU-UHFFFAOYSA-N 449.721 6.160 0 40 IKAB Clc1ccccc1-c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4cccs4)=NN32)o1 15016863 FYDFIXKGEYGTDK-NTKDMRAZSA-N 432.932 6.904 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(C)cc4)cc3c2C)c1 15729503 AQAZKVOCNGJTMY-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic C[C@@H]1CCc2c(sc3c2C(O)=N[C@H](c2ccc(-c4cccc(Br)c4)o2)N3)C1 15947750 DCTIIEMDZAIMCY-WYRIXSBYSA-N 443.366 6.324 0 40 IKAB CC(C)(C)c1ccc(C(=O)N2CCN(c3c(F)c(F)c(Cl)c(F)c3F)CC2)cc1 16323097 FACOHNLQLDJXFR-UHFFFAOYSA-N 428.857 5.156 0 40 IKAB COc1ccc(C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1Cl 16323146 PGLUWDNENIXEEN-UHFFFAOYSA-N 436.939 6.151 0 40 IKAB N=C1S[C@H](C(=O)c2ccccc2)[C@H](c2ccccc2)N1c1ccc(Br)cc1 16478196 MREHBNKRCIYRIK-FPOVZHCZSA-N 437.362 5.930 0 40 IKAB O=C(Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1)c1ccc(Br)o1 16526138 FBVVQZBFGCWWSL-UHFFFAOYSA-N 433.261 6.256 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3cccc(NC(=O)c4ccc(OC(C)C)cc4)c3)nc2c1 16610823 PUHQSFCITWBASF-GOSISDBHSA-N 428.532 7.048 0 40 IKAB O=C(NC(=S)Nc1cc(Cl)ccc1Cl)c1ccc(OCc2ccccc2)cc1 17097399 VBFXWCUZPSSTBQ-UHFFFAOYSA-N 431.344 5.699 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(C)c(Cl)c4)cc3n2)cc1 17098273 FAUBDSPWXBDNFK-UHFFFAOYSA-N 432.955 6.286 0 40 IKAB CC[C@H](C)c1ccc(OCC(=O)Nc2cccc(NC(=O)c3ccccc3Cl)c2)cc1 17100916 KGUJJHRXQHOZHT-KRWDZBQOSA-N 436.939 6.123 0 40 IKAB Cc1ccc(-c2ccc(/C=C/C(=O)Nc3cc(C(F)(F)F)ccc3Cl)o2)cc1Cl 19631044 JFVDKEDLNJPVDP-RMKNXTFCSA-N 440.248 7.233 0 40 IKAB CCCOc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)Nc3nc4ccccc4n32)cc1OC 20633453 JQJWGFSITUWADW-QHCPKHFHSA-N 435.524 5.074 0 40 IKAB CSc1ccc(CN(C)Cc2nc3scc(-c4ccc(F)cc4)c3c(=O)[nH]2)cc1 22024818 PZYZDXRYAZTPMH-UHFFFAOYSA-N 425.554 5.145 0 40 IKAB O=C(C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1)N1CCC[C@H]1c1cccs1 23845261 RQGIBWSSPQFKSY-INIZCTEOSA-N 443.922 5.395 0 40 IKAB COC(=O)c1c(NC(=O)c2sc3cccc(Cl)c3c2Cl)sc2c1CCCC2 26965917 DNTHLPCXLMWAGB-UHFFFAOYSA-N 440.373 6.187 0 40 IKAB CCN(C(=O)COc1ccc(C)c(C)c1)[C@H](c1ccc(OC)cc1)c1c[nH]c2ccccc12 27993234 RNRFVLIZZPXXPQ-MUUNZHRXSA-N 442.559 5.810 0 40 IKAB CCOc1ccc(N(Cc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)cc1 28579250 BAZTWQKUSCEFGM-UHFFFAOYSA-N 446.366 5.243 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3cccc(Cl)c3)cc2Cl)c1C 35213654 OKJPPFUJLVWZMJ-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CCOc1ccc(N(Cc2cccs2)c2ncnc3c2cnn3-c2ccccc2C)cc1 35681883 RBRVFFCQGODDHT-UHFFFAOYSA-N 441.560 5.922 0 40 IKAB COc1cc(CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C2CC2)ccc1OC(F)F 39995650 ASUJWHMOLAYIEG-UHFFFAOYSA-N 439.886 5.299 0 40 IKAB O=C(CSc1nccn2nc(-c3ccc(F)cc3)cc12)Nc1cccc(C(F)(F)F)c1 46005340 MKDYHTRAIHWYPD-UHFFFAOYSA-N 446.429 5.285 0 40 IKAB O=C(CSC1=NC2(CCCCC2)N=C1c1cccs1)Nc1ccc(F)c(Cl)c1 46022431 DWRWJWBUQAGUHZ-UHFFFAOYSA-N 435.977 5.774 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 51357457 NLZOOMJVMFHXJO-UHFFFAOYSA-N 436.364 5.090 0 40 IKAB O=C(CN1CCC(C(=O)N2CCCCCC2)CC1)c1c(-c2ccccc2)[nH]c2ccccc12 57270730 RPFTTYQLAUUDEA-UHFFFAOYSA-N 443.591 5.132 0 40 IKAB Cc1nc2cc(C(=O)N3CCC[C@H](c4cccc(Cc5ccccc5F)n4)C3)ccc2[nH]1 72356461 BAJPXEPIFLFQAT-FQEVSTJZSA-N 428.511 5.016 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(CCOc4ccccc4)C3=O)cc2)c1 106759302 KPLLJFKDNWQYOZ-ULJHMMPZSA-N 445.540 5.689 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2C1=C(c1ccc(F)cc1)c1ccc(F)cc1 169527742 CJAFSGJMWMUDMF-JPMIEVGJSA-N 439.461 5.388 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccccc1Cl 222597731 JJFOYNZRCXPRNF-NRFANRHFSA-N 435.395 5.258 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 223268839 ZBHLDPBAJVOUSD-NRFANRHFSA-N 449.422 5.566 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)CSCc1ccc(C)cc1 223271517 JJDDGPKGUQIBMT-HSZRJFAPSA-N 440.653 5.259 0 40 IKAB COc1ccc(Oc2ccc(Cl)cc2NS(=O)(=O)c2ccc3ccccc3c2)cc1 223652464 YLBJVOKGXNYELP-UHFFFAOYSA-N 439.920 6.095 0 40 IKAB COc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223775000 RFNKLZXGZNTELG-DNQXCXABSA-N 445.519 5.666 0 40 IKAB S=C(NCC1(c2ccccc2)CCCC1)Nc1ccc(N2Cc3ccccc3C2)nc1 223974464 WFWJPIBDRHMYGM-UHFFFAOYSA-N 428.605 5.400 0 40 IKAB S=C(NCC1(c2ccc(Cl)cc2)CCCC1)Nc1ccc(Oc2ccccc2)nc1 223979756 FSJCGAAFMUWNMH-UHFFFAOYSA-N 437.996 6.326 0 40 IKAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)c1 224021925 AJCTYRGVMHHPHT-INIZCTEOSA-N 441.980 6.141 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)c1 224083410 LIEDMOJJMCATIK-UHFFFAOYSA-N 443.587 6.664 0 40 IKAB COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1COc1ccc(C)cc1 224130155 JWNSNWIAGKYVIM-UHFFFAOYSA-N 444.575 5.162 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(Cl)cn2)c1 224246187 XKAWXCJZRFWATK-XZOQPEGZSA-N 445.979 5.406 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(C)c(C)c2)nc1 224259857 DTCGDDBWAMWCMP-DQEYMECFSA-N 439.588 5.370 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2ccc(C)n2-c2cccnc2)cc1C 224262856 CSYDCAXSOHNUJG-RPBOFIJWSA-N 439.588 5.370 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)NCCSCc2ccc(Cl)cc2Cl)c1 224379731 WNKIAVDXQIMLOB-UHFFFAOYSA-N 426.409 5.854 0 40 IKAB COc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(Br)cs1 224555058 SLVLXJCPMQZLNS-QZTJIDSGSA-N 446.395 5.091 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(C)cc1 224594545 QYMPYUWONGUNGZ-XMMPIXPASA-N 440.653 5.116 0 40 IKAB CCC1(CC)C[C@H](NC(=O)c2ccc(C)cc2I)c2ccccc2O1 225034735 FCCYBFCGLAUEJS-SFHVURJKSA-N 449.332 5.412 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)c(Cl)c1)c1ccccc1 225327215 BKCMBOCXQWAPOG-INIZCTEOSA-N 441.358 6.056 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCc1ccc(C(C)(C)C)cc1 225442060 RJTJNYQUMOMNMZ-FGZHOGPDSA-N 436.640 5.291 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)C1CCN(Cc2ccc(Cl)cc2F)CC1 225584754 FUYSDGRMJTUBCO-UHFFFAOYSA-N 436.958 5.597 0 40 IKAB CCCO[C@]1(C(=O)Nc2ccc(OCCCN3CCCCCC3)cc2)CCC[C@H](C)C1 225664484 JRHCBICLQWPNQT-BKMJKUGQSA-N 430.633 5.646 0 40 IKAB O=Cc1cc(Br)c(Sc2nnc(-c3ccccc3)c(-c3ccccc3)n2)o1 408556686 LDBICFSMFUSGDE-UHFFFAOYSA-N 438.306 5.525 0 40 IKAB O=C(CN(C1CCCCC1)C1CCCCC1)Nc1ccc(I)cc1 408583407 UHXFYFPPHZTAMZ-UHFFFAOYSA-N 440.369 5.197 0 40 IKAB Cc1ccc(COc2ccc(CNc3ccc(Br)cc3C)cc2Cl)cc1 408602887 BFUTWRJUXQKDEM-UHFFFAOYSA-N 430.773 6.910 0 40 IKAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(Oc4cc(C)ccc4C(C)C)cc3)CC2=O)c1 408638077 BBLABOKRCXASLY-NRFANRHFSA-N 442.559 6.211 0 40 IKAB CC(=O)c1ccc(NC(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3ccccc23)cc1 408646610 PZRITKAJUYIVRF-UHFFFAOYSA-N 438.483 5.208 0 40 IKAB Cc1ccc(OCc2ccc(C(=O)O[C@H](C(=O)c3ccccc3)c3ccccc3)cc2)cc1 409177296 CSZXPNIMWWFEPE-NDEPHWFRSA-N 436.507 6.355 0 40 IKAB CCCOc1c(I)cc(CNc2ccccc2Cl)cc1OCC 409180561 WYDKJUQRLJOAJM-UHFFFAOYSA-N 445.728 5.744 0 40 IKAB Cc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3cccc(Cl)c3)cc2)cc1 409411120 CNWAJRWGEPCHGF-NTEUORMPSA-N 426.925 5.101 0 40 IKAB CC(C)[C@H]1CC(CCNCc2ccc(Cl)cc2)(c2ccc(F)cc2)C[C@H](C(C)C)O1 524734586 SKECJCACEUTHME-JWQCQUIFSA-N 432.023 6.756 0 40 IKAB Cc1cc(OCC2(O)CCN([C@H]3CC[C@H](c4ccccc4)CC3)CC2)cc(C)c1Cl 585283070 PNDWXNGTRFNGBB-YHBQERECSA-N 428.016 5.889 0 40 IKAB Cc1nc(NC(=O)c2cc(C(C)(C)C)nn2Cc2ccc(F)cc2)sc1C(C)(C)C 2037845368 BBMOEKJVLLMOKQ-UHFFFAOYSA-N 428.577 5.683 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3oc(-c4ccccc4)nc3c2)cc1Br 830086 OJSXEJWKBUKJAN-UHFFFAOYSA-N 437.293 5.908 0 40 IKAB Cc1ccc(N2CCCCN(c3ccc(C)cc3)C(c3ccccc3)=C2c2ccccc2)cc1 1579426 GAIKNYDMEFEFMM-UHFFFAOYSA-N 444.622 7.936 0 40 IKAB COc1cc(/C=C/C(=O)N(C(C)C)C(C)C)ccc1OCc1c(Cl)cccc1Cl 1787336 AEPDLBOFWKOOFU-ZRDIBKRKSA-N 436.379 6.240 0 40 IKAB CC1=C(c2ccccc2)N(Cc2ccccc2)C[C@@H](C(=O)c2ccccc2)[C@H]1c1ccccc1 1879468 VDDUSYQXSVDMQA-LOYHVIPDSA-N 443.590 7.216 0 40 IKAB COc1ccc(/C=C/C(=O)N2c3ccccc3[C@@](C)(c3ccccc3)CC2(C)C)cc1OC 2071167 QDJZBEWSSRBWBF-KUFXCBRLSA-N 441.571 6.239 0 40 IKAB COc1cc(C2SCCS2)cc(Br)c1OC(=O)c1cccnc1Cl 2162906 OECBMMQAAKKDIK-UHFFFAOYSA-N 446.775 5.204 0 40 IKAB O=C(Nc1ncc2c(n1)C[C@@H](c1ccc(F)cc1)CC2=O)c1ccc(-c2ccccc2)cc1 2404490 FXLFYUWVGUGKPD-OAQYLSRUSA-N 437.474 5.448 0 40 IKAB Cc1ccc(CSc2c(Cc3ccccc3)c(C)nc3c(-c4ccccc4)c(C)nn23)cc1 2408639 QYVOXJVNDKKCBT-UHFFFAOYSA-N 449.623 7.205 0 40 IKAB C[C@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 2617242 YKLVLJSOMIIJLE-NSHDSACASA-N 430.521 5.421 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)c3ccccc3n2)cc1 2621446 QGFVOLBQFLQYQX-UHFFFAOYSA-N 444.487 5.189 0 40 IKAB COCCCn1c(SCc2nnc(-c3cccs3)o2)nnc1-c1ccccc1Cl 2640596 OCDHKVLNKIBGLX-UHFFFAOYSA-N 447.973 5.039 0 40 IKAB CC[C@@H](NC(=O)c1cc(-c2ccccc2)nc2ccc(Br)cc12)c1ccccc1 2769299 VQLBGKDVVGZOMJ-JOCHJYFZSA-N 445.360 6.545 0 40 IKAB CCOc1ccc(NCC(=O)Nc2ncc(Cc3cccc(Cl)c3Cl)s2)cc1 2887585 XEBBGAJEMGIJBG-UHFFFAOYSA-N 436.364 5.490 0 40 IKAB O=C(CSc1ncnc2ccccc12)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 3245871 UEWVIOYNEFQMOG-UHFFFAOYSA-N 431.361 5.398 0 40 IKAB CCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)C(=O)Nc1ccc(C)cc1 3326175 SBGLAHYPHXHBCU-ZDUSSCGKSA-N 446.391 5.522 0 40 IKAB O=C(COC(=O)c1cc(Br)ccc1OCc1ccccc1)c1ccccc1 3331840 OZFXFOJHOOJLBP-UHFFFAOYSA-N 425.278 5.068 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1 4109781 GBRMSGMKHDKXEE-UHFFFAOYSA-N 433.257 5.873 0 40 IKAB CCCCOCCOC(=O)C[C@@H](/C=C(/C)CC(C)(C)C)C(=O)OCCOCCCC 4803114 FBEWUFDEEMXRNN-OJLMNSMJSA-N 428.610 5.095 0 40 IKAB CCCN(CCC)S(=O)(=O)c1ccc(NC(=O)O[C@H]2C[C@H](C)CC[C@@H]2C(C)C)cc1 4994636 OCUUJCYZEABEMN-QIJUGHKUSA-N 438.634 5.507 0 40 IKAB CC1(C)CC(NC(=S)Nc2ccccc2)CC(C)(C)N1C(=S)Nc1ccccc1 6708137 KDHGMEVLGZJYBW-UHFFFAOYSA-N 426.655 5.392 0 40 IKAB Cc1nn(CC(C)C)c(C)c1CCC(=O)N1CCc2sccc2[C@@H]1c1cccs1 7948378 VLRPNJQIDISLQB-HSZRJFAPSA-N 427.639 5.386 0 40 IKAB O=c1[nH]cccc1-c1nc2cc(Cl)c(Cl)cc2n1Cc1c(Cl)cccc1Cl 8781680 PCGYFJBNYXMFBX-UHFFFAOYSA-N 439.129 6.054 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)c3ccccc3SCC(=O)NC(C)C)cc2)c1 9052283 GFQNHVRXUCXAST-UHFFFAOYSA-N 434.561 5.656 0 40 IKAB CCC(=O)N1c2ccccc2[C@@H](N(C(=O)COc2ccccc2)c2ccccc2)C[C@@H]1C 9130403 SHRGQDIZFCHWSK-CPJSRVTESA-N 428.532 5.375 0 40 IKAB CN(C)CCCN(C(=O)c1cccc(Oc2ccccc2)c1)c1nc2c(F)cccc2s1 9151916 FRGQCCSRODLOLQ-UHFFFAOYSA-N 449.551 5.826 0 40 IKAB CC(C)c1nc2sc3c(SCc4ccccc4Cl)ncnc3c2c2c1CCC2 9167659 XMLANGXFVGEKPZ-UHFFFAOYSA-N 426.010 6.797 0 40 IKAB CCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1 9193119 NOHVQQPZOWPHEA-HSZRJFAPSA-N 426.472 5.035 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc(C(C)C)cc3)n2Cc2ccco2)cc1 9307281 YHGXFKNKZYPODI-UHFFFAOYSA-N 446.576 5.749 0 40 IKAB O=C(Nc1ccc(C(=O)N(CCc2cccs2)Cc2cccs2)cc1)c1ccco1 9384717 MOXCFRDLNRQHCG-UHFFFAOYSA-N 436.558 5.540 0 40 IKAB CCCCc1ccc(NC(=O)CSc2cn(Cc3ccccc3C)c3ccccc23)cc1 9394396 PRZWUWIUTDOUDE-UHFFFAOYSA-N 442.628 7.071 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3[nH]nc(-c4ccccc4)c32)ccc1OCc1ccc(F)cc1 9546565 GCBHCJZSLRZFKP-HXUWFJFHSA-N 443.478 5.278 0 40 IKAB O=C(COc1ccc(Cl)c2cccnc12)N1N=C(c2ccco2)C[C@@H]1c1cccs1 9634379 FWKKDOLATGSASI-QGZVFWFLSA-N 437.908 5.299 0 40 IKAB O=C(CSc1nnc(-c2ccco2)o1)N1c2ccccc2SC[C@@H]1c1ccccc1 9952790 VWCFMKFSSRSUMI-QGZVFWFLSA-N 435.530 5.302 0 40 IKAB COc1ccc(C(=O)Nc2ccc3oc(Cc4ccccc4)nc3c2)cc1Br 10120014 IDQUPCVANUNQLU-UHFFFAOYSA-N 437.293 5.442 0 40 IKAB Cc1cc2nc(-c3ccc(CNC(=O)CC45CC6CC(CC(C6)C4)C5)cc3)oc2cc1C 10120292 ZQYHSWSVYGUNJF-UHFFFAOYSA-N 428.576 6.334 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@H]3CC(c4ccccc4)=NN32)cc1 12192714 YPGOBGGEMLQKLB-ILBGXUMGSA-N 447.376 6.815 0 40 IKAB O=C(CSc1nnc(COc2ccc(Cl)cc2)o1)Nc1ccccc1C(F)(F)F 12249566 SDKTVVOISWHJFD-UHFFFAOYSA-N 443.834 5.052 0 40 IKAB COCc1nn2c3c(cnc2c1-c1cccc(Cl)c1)C(=O)C[C@@H](c1ccc(OC)cc1)C3 12409808 CLPWOJAMQSNCPI-KRWDZBQOSA-N 447.922 5.117 0 40 IKAB O=C(C[C@H]1Sc2ccccc2NC1=O)OCc1csc(-c2ccccc2Cl)n1 12425751 TWBWYJUZDMWEQG-QGZVFWFLSA-N 430.938 5.010 0 40 IKAB CC(=O)N(c1ccc(C)c(C)c1)c1nc(CSc2c(Cl)cccc2Cl)cs1 12578421 HPEKTHFJMWMTPD-UHFFFAOYSA-N 437.417 7.044 0 40 IKAB Cc1ccc2[nH]c(C)c(/C=C3/SC(=O)N(CC(=O)Nc4c(C)cccc4C)C3=O)c2c1 12650355 NYUBBSBYZVUOFY-RGVLZGJSSA-N 433.533 5.077 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3Cc4c([nH]c5ccccc45)[C@@H](c4ccc(C(C)C)cc4)N3C2=O)c1 12662500 WAVGGBXCHKUNRA-AHKZPQOWSA-N 449.554 6.083 0 40 IKAB biogenic C[C@@H](NC(=O)c1ccccc1SCc1nnnn1-c1ccccc1)c1ccccc1Cl 12812593 AMSZUQOLGKQZIF-MRXNPFEDSA-N 449.967 5.099 0 40 IKAB O=C(Nc1ccc2nc(N3CCCC3)sc2c1)c1ccccc1SC[C@@H]1CCCO1 12862303 FGIBTPGNWVYDCF-KRWDZBQOSA-N 439.606 5.420 0 40 IKAB CCOc1ccccc1-c1nc(CC(=O)Nc2ccccc2OCC(F)(F)F)cs1 13003465 BJQIPHHCKFXAHM-UHFFFAOYSA-N 436.455 5.331 0 40 IKAB S=c1[nH]c2ccccc2n1-c1cc(-c2ccc(Br)cc2)nn1-c1ccccc1 13026610 WMJYIPRUYAMUPJ-UHFFFAOYSA-N 447.361 6.303 0 40 IKAB Cc1cccc(NC(=S)N(CCc2c(C)[nH]c3ccc(C)cc23)Cc2ccncc2)c1 13283352 IYSRPDGBJIRMML-UHFFFAOYSA-N 428.605 5.930 0 40 IKAB COc1ccccc1NC(=O)CSc1nc(C2CCCCC2)nc2sc(C)c(C)c12 13499940 GSKLRJQJXUIGPU-UHFFFAOYSA-N 441.622 6.095 0 40 IKAB COc1ccc(Cn2cccc(NC(=O)Nc3ccccc3-c3ccccc3)c2=O)cc1 13564748 RPNGYZUGJASLTH-UHFFFAOYSA-N 425.488 5.216 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3Cl)cc2)cc1C 13981249 XFAGCXSGZPUYDL-RIYZIHGNSA-N 440.952 5.410 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14123650 ZBDIALSRJLAXIC-AREMUKBSSA-N 442.538 5.157 0 40 IKAB O=C(/C=C/c1ccc(Br)o1)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 14359529 LFQAWDGNMYBKJN-SOFGYWHQSA-N 426.354 6.162 0 40 IKAB O=C(CSc1nnc(-c2cc3ccccc3o2)n1-c1ccccc1)Nc1ccc(F)cc1 15018887 RHOUZSMTZKUGAK-UHFFFAOYSA-N 444.491 5.550 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)CSc1nnc(C2CCCCC2)n1-n1cccc1 15881940 LKLHOQNDISTEEN-UHFFFAOYSA-N 429.977 5.131 0 40 IKAB CCCCOc1ccc(/C=C(/CC(=O)NCCC(C)C)c2nc3ccccc3s2)cc1 16044463 QNQHYKNFHOFUSS-FXBPSFAMSA-N 436.621 6.568 0 40 IKAB CC(C)OC(=O)c1cc(NC(=S)NC(=O)c2ccc(Cl)c(Cl)c2)ccc1Cl 16575512 YGFZXGKLPHUBPY-UHFFFAOYSA-N 445.755 5.339 0 40 IKAB CCOC(=O)[C@H](C)Sc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(Cl)c1 16757749 XPAKSDVBLIBQTH-HNNXBMFYSA-N 437.952 5.785 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)c4cc(OC)cc(OC)c4)cc3)nc2c1 17096952 VUEBSZVNPOKABX-MRXNPFEDSA-N 430.504 6.278 0 40 IKAB COc1cccc(-c2cc(C)nc(C3CCN(C(=O)c4cc(C(C)(C)C)nn4C)CC3)c2)c1 19690629 WYNLTPXDVJKPCZ-UHFFFAOYSA-N 446.595 5.116 0 40 IKAB COc1ccc(-c2cc(C)nc(C3CCN(C(=O)Cc4ccccc4OC)CC3)c2)cc1 19691095 CLEYTKIXEZWJFJ-UHFFFAOYSA-N 430.548 5.023 0 40 IKAB Cc1nc([C@H]2CCCCN2Cc2cccc(Cl)c2)ncc1C(=O)Nc1ccccc1F 19764750 JVHHHXPBDSYMPL-JOCHJYFZSA-N 438.934 5.557 0 40 IKAB O=C(COc1ccc(C2CCCCC2)cc1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20144944 NNPLXQRVVNMYCV-UHFFFAOYSA-N 439.939 6.158 0 40 IKAB O=C(N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl)[C@H](C1=CCCC=C1)c1ccccc1 21486797 KOTJGWZWXQEUDJ-UNMCSNQZSA-N 449.809 5.649 0 40 IKAB CC(C)n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1ccc2c(c1)OCCCO2 21723334 IHBWKIMTLGFAAW-UHFFFAOYSA-N 448.548 5.144 0 40 IKAB O=C(CSc1nnc(-c2ccco2)n1-c1ccccc1)N1CCC[C@@H]1c1cccs1 21846230 OIXUERBANZNDMV-QGZVFWFLSA-N 436.562 5.045 0 40 IKAB CC(C)OCCCn1c(SCc2csc(-c3ccco3)n2)nc2ccccc2c1=O 24832994 AJOAWEQOAOKCCI-UHFFFAOYSA-N 441.578 5.220 0 40 IKAB COc1ccc2c(-c3ccccc3)cc(SCC(=O)NCCC3=CCCCC3)nc2c1 25422251 IXAATFHAJMYQIM-UHFFFAOYSA-N 432.589 6.009 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1cccc(/C=C/c2ccccn2)c1 27125034 NMLIRZHZVVFJPM-FOHRATBMSA-N 447.538 5.752 0 40 IKAB O=C(COc1ccccc1)NC[C@@H](c1ccc(Br)cc1)c1c[nH]c2ccccc12 27749126 SBSRHCVLDQZYAZ-NRFANRHFSA-N 449.348 5.258 0 40 IKAB Cc1ccccc1-c1nnc(S[C@H](C)c2nc3scc(-c4ccco4)c3c(=O)[nH]2)o1 28075429 VZXLORRSJMIVQP-GFCCVEGCSA-N 436.518 5.456 0 40 IKAB COc1ccccc1[C@H]1CC(c2c(C)nc3ccc(C)cc3c2-c2ccccc2)=NN1C(C)=O 32815386 HPNAHHDNYJLMNP-AREMUKBSSA-N 449.554 6.225 0 40 IKAB Cc1cccc(NC2=NC(=O)/C(=C\c3ccc(OCc4ccccc4Cl)cc3)S2)c1C 35645140 AEXWVEXTWOGXNL-OEAKJJBVSA-N 448.975 6.618 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3ccnc(Oc4ccccc4)c3)n2)cc1OC 58157937 ARQJWLDFMFOWOT-UHFFFAOYSA-N 433.489 5.267 0 40 IKAB CCCOc1ccc(NC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)c(C)c1 59825842 CEOSJHQJKWHEIA-UHFFFAOYSA-N 426.538 5.106 0 40 IKAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Cl)ccc2o/c1=N\c1ccc(F)cc1Cl 67292960 SQZXUIJIHJEYHV-UZGAPFOWSA-N 435.282 5.020 0 40 IKAB O=c1c2sccc2nc(SCc2ccccc2F)n1CCc1ccc(Cl)cc1 71327657 ACQGFAHZPQLIGJ-UHFFFAOYSA-N 430.957 5.786 0 40 IKAB Cc1c(-c2nnc3sc(Cc4ccc(Oc5ccccc5)cc4)nn23)oc2ccccc12 96194267 IPBPYOJBJQJUJZ-UHFFFAOYSA-N 438.512 6.291 0 40 IKAB O=C1[C@@H]2[C@@H](c3ccccc3)N[C@@H](c3ccccc3)[C@@H]1[C@H](c1ccccc1)O[C@H]2c1ccccc1 100696892 IBONGHOLTHILSV-AVWBUSPOSA-N 445.562 6.387 0 40 IKAB Fc1ccccc1C1=C[C@H](c2ccc(Br)s2)n2c(nc3ccccc32)N1 101353695 WDQOFZAOYCMYPW-QGZVFWFLSA-N 426.314 6.055 0 40 IKAB OC1=C2C(=Nc3nc4ccccc4n3[C@@H]2c2cccnc2)C[C@H](c2ccc(Cl)cc2)C1 102673518 YCTKTUKPUOEWDH-BXKMTCNYSA-N 426.907 6.150 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3cccc(C)c3)C2=O)cc1OCC 106707802 PNTLZMWRIDJONK-JCMHNJIXSA-N 425.550 5.809 0 40 IKAB CC(C)Oc1cccc(CCCNC(=O)c2ccc(OCc3ccccc3Cl)cc2)c1 218990231 NBSXRMJIJWATGT-UHFFFAOYSA-N 437.967 6.069 0 40 IKAB COc1ccc(-n2c(C)c(C)c([C@@H]3[C@@H](c4ccccn4)N=C4S[C@@H](C)CN43)c2C)cc1 222638343 AFDUWHIQDBFDLX-FOMAEQEMSA-N 432.593 5.395 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccc(C)c(C)c1 222738225 UWWICHIEBHSOOV-QFIPXVFZSA-N 449.422 5.485 0 40 IKAB CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCC3)c2)cc1 223838135 MYCNASSPLMVNMN-DNQXCXABSA-N 432.593 5.574 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CSc1ccc(C)cc1 224156027 YBJRANXZUIOLTE-DEOSSOPVSA-N 438.637 5.262 0 40 IKAB Cc1cccc(NC(=O)c2ccc(N(C)S(=O)(=O)c3ccc(Cl)cc3)c(C)c2)c1 224215462 AKWOASQAEZFNHO-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(N(C)S(=O)(=O)c2ccc(C)cc2)c1)c1ccccc1 224311733 WQHZWTNHQAVIOC-QHCPKHFHSA-N 436.577 5.010 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(OC)c(COc3ccc4ccccc4c3)c2)cc1 224314585 FIQUPFZPDAXEKZ-UHFFFAOYSA-N 427.500 6.078 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1COc1ccc(C)c(C)c1 224621694 NLJXCTYPFKKFCK-UHFFFAOYSA-N 443.465 6.552 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1cccc2ccccc12 225576567 IBWZMVYULYHBNK-PXDATVDWSA-N 446.591 5.249 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 225587089 WZGILZPMSSAGGT-PGRDOPGGSA-N 447.044 5.463 0 40 IKAB C=Cc1ccc(CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2-c2ccccc2)cc1 252536206 HWFGTQSTOVJRKJ-UHFFFAOYSA-N 435.552 6.316 0 40 IKAB Cc1ccccc1-c1ccccc1CC1(C(N)=O)CCN(C(=O)CC2CCCCC2)CC1 257258675 KVBHMGQTCPUVKF-UHFFFAOYSA-N 432.608 5.269 0 40 IKAB CC(C)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCCC3)c2)cc1 408557702 OJCVUCKRXRQWJA-UHFFFAOYSA-N 434.989 5.280 0 40 IKAB CCOc1cc(C(=S)NCc2ccco2)ccc1OCc1ccc(Br)cc1 408577090 RFEKQWPFALKPGV-UHFFFAOYSA-N 446.366 5.485 0 40 IKAB Cc1ccc(C)c(N2C[C@@H](C(=O)Nc3ccc(Oc4ccc(Cl)cc4)cc3)CC2=O)c1 408638670 DCTSVEMZNHQOSC-SFHVURJKSA-N 434.923 5.741 0 40 IKAB CCOc1cc(OCC)c(/C=C2\SC(=O)N(c3ccccc3)C2=O)cc1Br 408817954 XBUSCVYUZZBSGZ-WQRHYEAKSA-N 448.338 5.487 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)c1nnc(SCC(=O)Nc2ccccc2F)o1 409005943 HKFVLBPZDLEQIZ-JTQLQIEISA-N 442.299 5.386 0 40 IKAB CCCN1C(=O)S/C(=C/c2ccc(OCc3cccc(C)c3)c(Br)c2)C1=O 409241683 LNSNTLVTZBPMLO-XDHOZWIPSA-N 446.366 5.783 0 40 IKAB Cc1ccc(NCc2ccc(OCC(=O)Nc3cccc(C)c3)c(Br)c2)cc1 409264723 RMAXPOMTZDISAW-UHFFFAOYSA-N 439.353 5.696 0 40 IKAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccc(Br)cc1Br 642741 PLHQFIHIGVQEPR-NSHDSACASA-N 443.135 5.016 0 40 IKAB Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2C2CCCCC2)cc1Cl 924475 RGLNFWZIQRPFFZ-UHFFFAOYSA-N 441.988 5.538 0 40 IKAB Cc1sc2nc(SCC(=O)c3ccccc3)n(CCc3ccccc3)c(=O)c2c1C 924693 CYMRFEHFWGNEDY-UHFFFAOYSA-N 434.586 5.293 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)n1Cc1ccccc1)Nc1ccccc1Cl 925194 NZQOMWDTBZNQJZ-UHFFFAOYSA-N 448.979 5.301 0 40 IKAB Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 931828 GRIJIBZCGGOFBX-UHFFFAOYSA-N 441.600 5.853 0 40 IKAB O=C(Nc1sccc1OCc1ccccc1)Nc1sccc1OCc1ccccc1 1396553 XCWDAZICWAVSKM-UHFFFAOYSA-N 436.558 6.612 0 40 IKAB O=C(c1ccccc1)c1oc2ccc(Br)cc2c1-c1cnn(-c2ccccc2)c1 1617695 MJQZDXGASZVADF-UHFFFAOYSA-N 443.300 6.279 0 40 IKAB COc1ccc(C(=O)NCC[C@H](c2ccc(OC(C)C)cc2)c2ccccc2OC)cc1 2092310 QULLAJKVAWUUEM-XMMPIXPASA-N 433.548 5.443 0 40 IKAB biogenic CC(C)CCSc1nc2sc3c(c2c(=O)n1Cc1ccccc1)CC(C)(C)OC3 2197129 VMLQJOKCDGXMKZ-UHFFFAOYSA-N 428.623 5.496 0 40 IKAB CC(C)Cc1nc2sc3c(N[C@@H](C)CCc4ccccc4)ncnc3c2c2c1CCCC2 2315263 CUTFWBMRPUFXDE-SFHVURJKSA-N 444.648 6.750 0 40 IKAB CCCCCCSc1nc2c(c(=O)n1Cc1ccccc1)[C@@](C)(CC)Cc1ccccc1-2 2325165 WXPQIZLWFFKMDM-NDEPHWFRSA-N 446.660 6.855 0 40 IKAB CCCCc1ccc(-n2c(N)c(C(=O)NC3CCCCC3)c3nc4ccccc4nc32)cc1 2340793 IBCFXBZTKIIXGY-UHFFFAOYSA-N 441.579 5.561 0 40 IKAB CCO[P@](=O)(c1c(F)c(F)c(F)c(F)c1F)[C@@H](Nc1ccccc1)c1ccccc1 2352646 SOJKJWFQCFBEPQ-IIMAJNMQSA-N 441.336 6.133 0 40 IKAB Cc1ccc(Cn2cc(C(=O)c3ccc(Cl)cc3)c(=O)c3cc4c(cc32)OCCO4)cc1 2691246 OURUTIUGRPRAFJ-UHFFFAOYSA-N 445.902 5.014 0 40 IKAB Cc1ccc([C@@H]2C[C@H](C(F)(F)F)n3ncc(C(=O)NC(C)(C)CC(C)(C)C)c3N2)cc1 3012822 LJYHGXUHYGLEGL-ZWKOTPCHSA-N 436.522 5.796 0 40 IKAB C=C1S[C@](c2ccccc2)(C(F)(F)F)NC(=O)N1c1ccc(Br)cc1 3014897 VIWJQVUMALMTIG-MRXNPFEDSA-N 429.261 5.598 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)sc2c1 3135936 RFEGEJCXJRAHPI-UHFFFAOYSA-N 427.451 6.935 0 40 IKAB O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccccc1Cc1ccccc1 3269052 VAUAPFYIXJETJE-UHFFFAOYSA-N 436.580 6.909 0 40 IKAB Cc1c(-c2cccc(Cl)c2)nc2ccccc2c1C(=O)OCCOc1ccccc1F 3295028 HHDRLSWIAKCUTP-UHFFFAOYSA-N 435.882 6.239 0 40 IKAB CC(C)c1ccc(NC(=O)COc2nnc(-c3cccs3)c(-c3cccs3)n2)cc1 3324366 LLYZZKDCSDPJEI-UHFFFAOYSA-N 436.562 5.470 0 40 IKAB CN(C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc(-c2ccc(F)cc2)cs1 6075323 JUSOWAIJFONAIA-UHFFFAOYSA-N 439.600 5.845 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Oc2ccc(C(C)(C)c3ccccc3)cc2)CC1=O 7928853 OUYPUGHXPWTLJL-UNMCSNQZSA-N 427.544 5.528 0 40 IKAB CSc1cc(-c2ccccc2)n(-c2ccccc2C)c(=S)c1C(=O)c1ccccc1 8384970 FUKAFLKFQTUZKA-UHFFFAOYSA-N 427.594 7.135 0 40 IKAB Cc1ccc(-c2nc3cccnc3s2)cc1NS(=O)(=O)c1ccc2c(c1)CCCC2 8683812 LMZQJGGRXMHMEB-UHFFFAOYSA-N 435.574 5.346 0 40 IKAB aggregator Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(Cl)c2)N(CCc2ccccc2)C3=O)c(O)c1 8845788 DKMXAEKADVDUSG-RUZDIDTESA-N 443.934 5.532 0 40 IKAB O=C(Cc1csc(SCc2ccc(Br)cc2)n1)NCc1cccs1 8854558 MFHRVAPSBFHESM-UHFFFAOYSA-N 439.425 5.118 0 40 IKAB CC(C)(C)c1ccc(OCc2nc3ccccc3n2CCCOc2ccc(Cl)cc2)cc1 8860256 RKSFSJQMUPPRLH-UHFFFAOYSA-N 448.994 7.035 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4cc(C)cc(C)c4)ccc3o2)cc1OC 8903951 GERZFAXVRSZUIJ-UHFFFAOYSA-N 432.476 5.146 0 40 IKAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(=O)c2ccc(-c3ccccc3)cc2)C1=O 8965998 BAPUPDVGHSPLIY-NDEPHWFRSA-N 434.495 5.157 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@@H](c2ccc(Cl)cc2)N1c1nc2ccccc2s1 9187178 FZZUFALWMYBLHC-HXUWFJFHSA-N 444.899 5.806 0 40 IKAB COc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1c(C)cccc1C 9250166 LSCSARRDCZTWLH-UHFFFAOYSA-N 449.576 5.307 0 40 IKAB S=C(Nc1ccc(Cl)cc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1Cl 9391129 FNOIYRLEHJLQCY-LJQANCHMSA-N 436.795 6.250 0 40 IKAB Cc1ccc2cc(CN(C(=O)c3cccc(Cl)c3)c3ccc(C)c(C)c3)c(O)nc2c1 9431075 FDEJNXBKZZZDFE-UHFFFAOYSA-N 430.935 6.366 0 40 IKAB Cc1ccc(NC(=O)c2sc3nc4c(c(-c5cccs5)c3c2N)CCCC4)c(C)c1 9445855 MGRNGGFOSZEKTM-UHFFFAOYSA-N 433.602 6.355 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nc(-c3cccc(Cl)c3)no2)n1C1CC1 9481373 VLKVSFQTTGPDBA-UHFFFAOYSA-N 427.892 5.415 0 40 IKAB Cc1oc2cc(OCC(=O)N3CCCCCC3)ccc2c(=O)c1-c1ccc(Cl)cc1 9530849 VJGAQYMMQPWOER-UHFFFAOYSA-N 425.912 5.203 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)c3ccccc3)n2CCc2ccccc2)cc1 9545840 OAZUTVUXWZIUKW-UHFFFAOYSA-N 429.545 5.171 0 40 IKAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(OC(F)(F)F)cc1 9632707 RZXVTLYMYCZNMP-UHFFFAOYSA-N 429.420 5.120 0 40 IKAB Cc1ccc(-c2nn(-c3ccc(C(C)(C)C)cc3)c3c2cnc2cc4c(cc23)OCCO4)cc1 9675922 YJPJFKSEFDYBIT-UHFFFAOYSA-N 449.554 6.618 0 40 IKAB O=C(Nc1ccc(Cl)c(-c2nc3ccccc3o2)c1)c1ccccc1Br 9993502 NYYPSLGESOYBJV-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB Cc1ccc(NC(=O)N[C@H](C)c2cccs2)cc1NC(=O)N[C@@H](C)c1cccs1 10035402 MROFKNGAAKLGKK-CABCVRRESA-N 428.583 5.883 0 40 IKAB COc1cc(C(=O)N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)cc(Cl)c1OC(C)C 10545576 FXYXYOFSYMCYBQ-OAHLLOKOSA-N 427.932 5.032 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)c3cc(C)n(CC(F)(F)F)c3C)c2n1 12546896 ORSADFYYOJETTM-UHFFFAOYSA-N 445.268 6.092 0 40 IKAB CN(Cc1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F)C1CCCCC1 12557283 ZJOZDDOKZQCIKY-UHFFFAOYSA-N 426.504 5.271 0 40 IKAB Cc1ccc(-c2nnc3n2CCCCC3)cc1NC(=O)c1csc(-c2ccsc2)n1 12764405 QHMAQIPXRUSLHA-UHFFFAOYSA-N 435.578 5.417 0 40 IKAB COc1ccccc1-c1nc(CSc2ncnc3c2cnn3-c2ccccc2)cs1 12782810 RPPGHQZGDLSNND-UHFFFAOYSA-N 431.546 5.240 0 40 IKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3Cl)s2)c(=O)n(-c2ccccc2)n1C 12823305 OEPFWUSGPVVMFY-FYWRMAATSA-N 449.963 5.518 0 40 IKAB C[C@H](OC(=O)/C=C/c1cccc2cccnc12)C(=O)c1ccc(NC(=O)C(C)(C)C)cc1 12925050 MMWRKTMRZJGAER-VMEIHUARSA-N 430.504 5.047 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)Nc3ccccc3N3CCCC3=O)cccc2c1=O 12945432 LMKPYVXFQZVHFO-UHFFFAOYSA-N 438.483 5.148 0 40 IKAB Cc1nn(Cc2ccccc2Cl)c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 13120787 NMQGDKZBJPXZCS-DEOSSOPVSA-N 446.938 5.561 0 40 IKAB O=C(N1CCC(n2cnc3cccnc32)CC1)N1c2ccccc2Sc2ccccc21 13565279 UVMTWZKIIXADEL-UHFFFAOYSA-N 427.533 5.491 0 40 IKAB Cc1ccsc1-c1nnc(S[C@H]2Cc3ccccc3C2=O)nc1-c1sccc1C 13566487 ZIPFVYWRGGWICI-INIZCTEOSA-N 435.599 5.845 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cc1 13631206 NITUANUIWFIDBO-HXUWFJFHSA-N 444.575 5.961 0 40 IKAB CCC1=NN(c2ccccc2)[C@]2(SC(C(C)=O)=NN2c2cccc(C)c2)c2ccccc21 13659019 LDCDDMIFSYZCDL-AREMUKBSSA-N 440.572 5.896 0 40 IKAB Cc1cc(CSc2ccccc2C(=O)N2CCC[C@H](c3nc4ccccc4s3)C2)no1 14141806 OVTOJRREPPKLAM-KRWDZBQOSA-N 449.601 5.905 0 40 IKAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2ccc(C3SCCCS3)cc2)C1 14246355 GRVNMVMDBBWERF-IBGZPJMESA-N 426.607 5.046 0 40 IKAB CCOc1cc(C(=O)Nc2ccc(Br)cc2F)cc(Br)c1OC 15008031 FWPFFTPZXOFAEB-UHFFFAOYSA-N 447.098 5.010 0 40 IKAB COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)cc(OC)c1OC 15106873 SIOXAIQOBKXQQW-GDBMZVCRSA-N 429.582 5.399 0 40 IKAB COCCn1c(-c2cccs2)c(NC(=O)c2ccc(C)cc2)s/c1=N\c1ccccc1 15229562 YMFXBKRAKGPHCZ-IZHYLOQSSA-N 449.601 5.718 0 40 IKAB COc1cccc(C(=O)N(Cc2cccnc2)c2nc3ccc(Cl)cc3s2)c1OC 15881817 VWBDODOTWLEGTR-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB O=C(COc1ccccc1F)N1N=C2/C(=C/c3ccccc3)CCC[C@H]2[C@@H]1c1ccccc1 15906565 UUENVKHVYBAYBA-LRPTXAEXSA-N 440.518 6.028 0 40 IKAB COc1ccc(-n2c(SCC(=O)c3ccc(OC(F)F)cc3)nc3ccccc32)cc1 15980389 CFRDATQJYKCHRC-UHFFFAOYSA-N 440.471 5.611 0 40 IKAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2ccncc2)n1 19294104 MNGYMDRLYQAADQ-AUSIDOKSSA-N 443.526 5.441 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(Cl)cc3)CC[C@@H]21 19368999 XUSDWBXVIPFFBE-HJOGWXRNSA-N 437.008 5.532 0 40 IKAB Cc1c(CN2CCC([C@@H](NC(=O)c3cccs3)c3ccccn3)CC2)[nH]c2ccccc12 19565891 GLSOAVNGTFJBQD-RUZDIDTESA-N 444.604 5.316 0 40 IKAB CC[C@@H](C)c1ccc2oc(-c3ccc(NC(=O)COc4ccc(C(C)C)cc4)cc3)nc2c1 19636615 VCBSVPSVLHFXIC-LJQANCHMSA-N 442.559 7.149 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2cc(C)cc(C)c2)cc1 19947514 IFGNZLHQROALKJ-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1c(C)n(C(=O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12 20103007 SXRWXQKSDZTXCD-UHFFFAOYSA-N 437.587 5.306 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1cc(-c2ccc(CO)o2)ccc1Cl 20144700 UKRQMWXWLGBKKJ-LLVKDONJSA-N 440.710 5.805 0 40 IKAB Cc1ccc(N[C@@H](c2ccccc2)c2c(NC(=O)c3ccccc3)sc(C)c2C)cc1C 26770830 SBBDVKHHXOYRGZ-SANMLTNESA-N 440.612 7.436 0 40 IKAB Cc1noc2nc(-c3cccs3)cc(C(=O)N(C)Cc3ccccc3N3CCCC3)c12 29073908 GLYXWIZAXDUVDK-UHFFFAOYSA-N 432.549 5.132 0 40 IKAB CSCc1nnc(SCC(=O)N2c3ccccc3Sc3ccc(Cl)cc32)o1 29917617 GVYOXYPSHHEQBN-UHFFFAOYSA-N 435.983 5.508 0 40 IKAB CCOC(=O)c1ccc2nc(-c3ccccc3)cc(OCC(=O)Nc3ccccc3C)c2c1 32985761 YLIWAAQFICDAJT-UHFFFAOYSA-N 440.499 5.404 0 40 IKAB CCOc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 33745069 KHBDHPRBBSHADO-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CCC3=C4CC[C@H]([C@H](C)CCCC(C)C)[C@@]4(C)CC[C@@H]32)C1 34385590 VNJBUCCXHRSVLO-ZSKZXBCESA-N 428.701 8.104 0 40 IKAB CCc1ccc(N2C(=O)/C(=C/c3c4ccccc4cc4ccccc34)C(O)=NC2=S)cc1 34736076 OJJCWRUPBVQNJG-LFVJCYFKSA-N 436.536 6.227 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccc(CN2CCCCCC2)cc1 38853369 UVCGTUQOISDNRQ-UHFFFAOYSA-N 435.008 5.518 0 40 IKAB O=C(COc1ccc(-c2cc3ccccc3oc2=O)cc1)Nc1cccc(C(F)(F)F)c1 41091636 AAORBTASURGIRI-UHFFFAOYSA-N 439.389 5.496 0 40 IKAB Cc1ccc2c(Nc3cccc(C(F)(F)F)c3)c(C(=O)N3CCCC[C@@H]3C)cnc2n1 49005185 NOZBPTIOMJQISL-HNNXBMFYSA-N 428.458 5.715 0 40 IKAB CCN1c2ccc(C(=O)Nc3cc(Cl)ccc3C)cc2-c2ccccc2S1(=O)=O 65315064 MMDIAGQHAIFMFM-UHFFFAOYSA-N 426.925 5.096 0 40 IKAB O=C1c2[nH]nc(-c3ccccc3)c2[C@@H](c2ccc(O)cc2)N1CCc1c[nH]c2ccccc12 66087607 LPHVFPPNZGBCMN-AREMUKBSSA-N 434.499 5.052 0 40 IKAB CCCc1nc([C@H](NC(=O)c2ccc(C3SCCS3)cc2)c2ccccc2)no1 78823489 HLGSNLRHLQJALD-LJQANCHMSA-N 425.579 5.020 0 40 IKAB CC(=O)N(c1nc(/C=C2/N=C(c3ccccc3C)OC2=O)cs1)c1cccc(C)c1C 97987599 YZHAOILKSZBZCN-UDWIEESQSA-N 431.517 5.097 0 40 IKAB COc1ccc([C@H]2C3=C(O)CCCC3=Nc3nc(SCc4ccccc4)nn32)c(OC)c1 102664084 VORZGSGFJCBSCU-QFIPXVFZSA-N 448.548 5.259 0 40 IKAB CCCCOc1cccc([C@@H]2C3=C(O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)CC)c1 102929311 GRJNWRXXNJHRPG-HHHXNRCGSA-N 446.591 7.068 0 40 IKAB COC(=O)CC[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]3[C@H](O)C[C@@]21C 123292615 DJODDBKOSONKJI-ISLLHNFCSA-N 448.644 5.137 0 40 IKAB CCc1ccc(OCC(=O)Nc2ccccc2Oc2ccccc2)c(Br)c1 218862728 FQSIOCSXLPOEIO-UHFFFAOYSA-N 426.310 5.821 0 40 IKAB Cc1ccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222768693 IKZZRTDULBSSHP-NRFANRHFSA-N 436.640 5.557 0 40 IKAB CCC1(CC)C[C@@H](NC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)c2ccccc2O1 223219197 LJFQFPBFYRNPEW-HSZRJFAPSA-N 441.015 5.751 0 40 IKAB C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CSCc1ccccc1 223831219 VQMBVLHTYBUMQL-GOSISDBHSA-N 445.028 5.049 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 223918433 DEBWICTVJWGEQT-QGZVFWFLSA-N 437.005 5.111 0 40 IKAB COc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COc1cccc(C)c1 224111589 JLGSWUUBXPIRTF-UHFFFAOYSA-N 449.856 6.507 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1c1ccccc1 224180634 RVNZYCVUQVLRNT-XZOQPEGZSA-N 431.948 6.172 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(-c2ccccc2)c1 224586175 JSHKDDCNJIGTAY-BJKOFHAPSA-N 426.545 5.058 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1COc1cc(C)cc(C)c1C 224607018 UAOZRLHUDSBHAT-UHFFFAOYSA-N 437.967 6.173 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CSc1ccc(C)cc1 225527996 XFBIKGKSBKRPQX-REWPJTCUSA-N 426.626 5.118 0 40 IKAB CC[C@@H](C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1C 225582920 WPGYOPZPKSSYAO-MRXNPFEDSA-N 436.379 6.166 0 40 IKAB CC(C)NC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1cccc(Cl)c1 225631242 XDNOQNXPFIZAMY-CQSZACIVSA-N 441.786 5.131 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 225664551 PVZZHXCWMNOHCH-FNZWTVRRSA-N 448.582 5.634 0 40 IKAB Nc1cc(NC(=O)c2ccc(-c3ccc(Cl)cc3Br)o2)ccc1Cl 226766032 DEUOVTZMOFGJPQ-UHFFFAOYSA-N 426.097 5.850 0 40 IKAB CC(C)Oc1cccc(CN2CCCC[C@H]2c2n[nH]cc2C(=O)N(C)Cc2ccccc2)c1 257221224 DOAXLPKTVJZDBR-VWLOTQADSA-N 446.595 5.196 0 40 IKAB CCCNC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)C(C)(C)C)CC1 257228586 FUKWIMULWRGLMG-UHFFFAOYSA-N 426.626 5.139 0 40 IKAB O=C(c1cc(-c2cccc(F)c2)no1)N1CCCC[C@H]1c1ncc(Cc2ccc(F)cc2)o1 257249773 JJRLXSMXLUSJQZ-QFIPXVFZSA-N 449.457 5.566 0 40 IKAB CCOc1ccc(NCc2ccc(OCC(=O)Nc3ccc(OC)cc3)c(Cl)c2)cc1 408554422 DWFLZHPHJHQFQY-UHFFFAOYSA-N 440.927 5.377 0 40 IKAB Cc1ccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)cc1 408695462 QOILPFKKNYXTPQ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cc(Cl)ccc3C)nc2-c2ccc(Cl)cc2)c1 408697391 GYEPAFBPQYQREG-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCCOc1ccc(C2=N/C(=C/c3cccc(OCc4ccc(F)cc4)c3)C(=O)O2)cc1 409070687 OMCZFZTZWRFUQT-KOEQRZSOSA-N 445.490 5.928 0 40 IKAB Clc1cc(CNc2ccccc2)cc(Cl)c1OCc1ccc(Br)cc1 409117150 QJGIGLSWOHVFLP-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccc(C)cc1C 409121363 WKJDNJVTRXTVRR-UHFFFAOYSA-N 427.180 6.229 0 40 IKAB Cc1cc(C)cc(CSCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)c1 409122512 YZANPDBFEWSNHB-HXUWFJFHSA-N 432.589 5.666 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)N(CC)C3=O)cn(Cc3c(F)cccc3Cl)c12 409125867 AHBRDHBRQIIBTL-JAIQZWGSSA-N 442.943 6.101 0 40 IKAB CC[C@H](C)Oc1ccccc1/C=C1/SC(=O)N(Cc2cccc(Br)c2)C1=O 409152234 DPNJKZDJJFQOSH-BXUJETTOSA-N 446.366 5.863 0 40 IKAB Fc1cccc(Cl)c1Cn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 409207735 YQRVNCQILNKTOZ-UHFFFAOYSA-N 434.967 6.216 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3C)c2)cc1 409384060 YTZGIQQBBUVROS-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB CN(C[C@@H]1CCCO[C@@H]1c1ccccc1)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 622808530 LLOQPZYPONHRKU-HNAYVOBHSA-N 445.403 5.964 0 40 IKAB CC(C)Cc1ccc([C@@H](C)C(=O)OCCCCCC(=O)OCCCCCC(=O)O)cc1 725444109 SKJYMFANBSMDIR-HXUWFJFHSA-N 434.573 5.280 0 40 IKAB CCC(CC)C(=O)N1CC[C@H]2CC(=O)Nc3cc(-c4ccccc4)ccc3OCC[C@H]2C1 1534646702 POHIJCOHMMGONL-GOTSBHOMSA-N 434.580 5.366 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)nnc1-c1ccccc1 664125 JAWFIQFNKWCYNW-UHFFFAOYSA-N 435.380 5.639 0 40 IKAB COc1ccc(NC(=O)c2ccc(OC(=S)N(C)c3ccc4ccccc4c3)cc2)cc1 819704 UYXPJPJNCONLMS-UHFFFAOYSA-N 442.540 5.901 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 894922 WBQSSBWEVCNGRJ-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB C[C@@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)NCCc1ccccc1 900997 QLQPLLLJWMDLHX-OAHLLOKOSA-N 431.483 5.002 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccnc3)C(=S)Nc3ccc(C)cc3)cc2c1 916798 ZZTCJNBRTMOUJT-UHFFFAOYSA-N 442.588 5.193 0 40 IKAB O=C(Nc1nc2ccc(Br)cc2s1)c1ccc(Oc2ccccc2)cc1 946515 ZZTKWSYPBDJLFP-UHFFFAOYSA-N 425.307 6.103 0 40 IKAB CCc1c(C)nc2cc(-c3ccc(OC)c(OC)c3)nn2c1NCCc1cccc(C)c1 1341110 BRXQSKZOEZRTNP-UHFFFAOYSA-N 430.552 5.247 0 40 IKAB Cc1sc(NC(=O)C2CCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1 1355536 FOZHTSNVBGZSJV-UHFFFAOYSA-N 435.524 5.199 0 40 IKAB Cc1ccc(C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)C(=O)N(C)C)cc1 1464384 YIEYDJUCLNZISK-DEDYPNTBSA-N 443.330 5.421 0 40 IKAB CCN(CC)CCOC(=O)c1ccc(Nc2nc(-c3ccccc3)nc3ccccc23)cc1 1809202 BHCIKPVJBGZPSX-UHFFFAOYSA-N 440.547 5.539 0 40 IKAB Clc1ccc(CSc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc1 1823659 VUHWUHCEMUBBHG-UHFFFAOYSA-N 433.838 7.083 0 40 IKAB CCOc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3cc(C)cc(C)c3)c2c1 2074061 CNSGNABGAGXYKA-UHFFFAOYSA-N 443.572 6.043 0 40 IKAB CCOc1cc(CNc2ccc(C)c(C)c2)cc(I)c1OCC 2093944 DJQFLMHTLQSCKX-UHFFFAOYSA-N 425.310 5.318 0 40 IKAB Fc1ccccc1-c1nnc(SCc2c(Cl)cccc2Cl)n1-c1ccccc1 2201282 MQJNLTAPUANPGD-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)c1ccccc1Cl 2264673 WBIAUYXYYCXNFQ-UHFFFAOYSA-N 441.339 5.668 0 40 IKAB CC(C)Cc1ccc(-c2csc(-c3nc(-c4ccc(CC(C)C)cc4)cs3)n2)cc1 2283002 JDXPJCUSQMOSSD-UHFFFAOYSA-N 432.658 7.998 0 40 IKAB Brc1ccc2nc(Nc3nc4ccccc4s3)nc(-c3ccccc3)c2c1 2293767 XJQCUXYGDUMQRF-UHFFFAOYSA-N 433.334 6.413 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(C[C@H]1CCCO1)C3=O 2417710 NZFBFCZKLSYSOO-AUSIDOKSSA-N 431.532 5.123 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc1Br 3025390 PLFQYVUKDACQGS-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3cc(-c4cccs4)nc4ccccc34)n2)cc1 3188200 FZTHQUMBHBNQEE-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccccc1C(F)(F)F 3229344 GJQBEVYBXRJEDZ-UHFFFAOYSA-N 445.491 6.108 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1c(C)cccc1C 3260797 VDCWVLPEUSBNKP-UHFFFAOYSA-N 442.968 5.913 0 40 IKAB Cc1ccc(NC(=O)Cc2nc(CSc3nc(-c4ccccc4)cs3)cs2)cc1 3353509 UBVBMGXXEDHHNY-UHFFFAOYSA-N 437.615 6.049 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(NS(=O)(=O)c3ccc(C)cc3C)cc12 3368620 DWWYROLTQNAADG-UHFFFAOYSA-N 449.528 5.694 0 40 IKAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3CCOc3ccccc3)CC2=O)c1C 4903359 RPCGJJVGQBZWLJ-NRFANRHFSA-N 425.532 5.253 0 40 IKAB FC(F)(F)C1(SCCSC2(C(F)(F)F)SCCS2)SCCS1 4963759 PIDQBYXUBNDCOH-UHFFFAOYSA-N 438.596 5.845 0 40 IKAB Cc1ccc(C)c2[nH]c(=O)c(CN(C(=S)N[C@H](C)c3ccccc3)C3CCCC3)cc12 6321712 CEMIMMURPDSJGS-LJQANCHMSA-N 433.621 5.525 0 40 IKAB Cc1ccc2cc(CN(C(=S)N[C@@H](C)c3ccccc3)C3CCCCC3)c(=O)[nH]c2c1 6409492 LTTPJNNZZFCVNO-IBGZPJMESA-N 433.621 5.607 0 40 IKAB CC1(C)CC(=O)C2(Cc3ccc(Cl)cc3N3CC[C@@H](Cc4ccccc4)C[C@H]32)C(=O)C1 8773630 WGENJQBZVYXURO-CVDCTZTESA-N 435.995 5.668 0 40 IKAB CC1=C(CC(=O)Nc2cccc(C)n2)c2cc(F)ccc2/C1=C/c1ccc([S@](C)=O)cc1 8993186 IXYXYDLZMWZSMC-WNGLBVNJSA-N 446.547 5.623 0 40 IKAB CC[C@H](c1nnc(S[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1Cc1ccccc1)N(C)C 9056361 OYNSRXLWKZWCDD-FDDCHVKYSA-N 448.636 5.191 0 40 IKAB Cc1cccc(CN2CCC(C(=O)Nc3ccc(Cl)cc3C(=O)c3ccccc3)CC2)c1 9063078 OKXPUZWZCBKQBJ-UHFFFAOYSA-N 446.978 5.730 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H](C)Sc1nn(-c2ccc(Cl)cc2)c(=S)s1 9154044 OEGNIJUXSMFDNP-QWHCGFSZSA-N 448.038 5.775 0 40 IKAB CCOc1ccccc1NC(=O)c1c(C)cc(C)nc1SCC(=O)Nc1ccc(C)cc1 9250211 ZISKPRGMTWVZPK-UHFFFAOYSA-N 449.576 5.389 0 40 IKAB Cc1cc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)no1 9488175 IKWRDPSHYFCSET-IBGZPJMESA-N 441.270 5.454 0 40 IKAB Cc1cccc(-c2nnc(SCc3ccc(Cl)c(Cl)c3)n2Cc2ccco2)c1 9499725 UFZCPPCSLDPURK-UHFFFAOYSA-N 430.360 6.494 0 40 IKAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2nc(C(F)(F)F)nc3ccccc23)c1C 9515250 NDONKGYFYRBGSQ-CYBMUJFWSA-N 437.487 5.249 0 40 IKAB CCCCCC(=O)Nc1ccc(C(=O)COC(=O)/C=C/c2ccc3ccccc3n2)cc1 9670785 FWZWCSGWZLAKOO-WUKNDPDISA-N 430.504 5.193 0 40 IKAB CC(C)CCn1c(SCC(=O)Nc2cccc(F)c2)nc2c(oc3ccccc32)c1=O 9751236 BCXOYJAVDICOMU-UHFFFAOYSA-N 439.512 5.059 0 40 IKAB Cc1c(NS(=O)(=O)c2ccccc2)cccc1C(=O)Nc1c(Cl)cccc1Cl 10314973 RPDDNVBQHMIRKJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(OCc1cc(F)cc2c1O[C@@H](c1ccccc1)OC2)c1c(Cl)nc2sccn12 11055620 LMZFIQKNGHHHSQ-FQEVSTJZSA-N 444.871 5.153 0 40 IKAB O=C(c1ccc(OCCc2ccccc2)c(Br)c1)N1CCCc2ccccc21 12137991 DNTLANGWVBSAAS-UHFFFAOYSA-N 436.349 5.664 0 40 IKAB CCc1c(C)sc2nc(C)nc(SCC(=O)N3c4ccc(F)cc4CC[C@@H]3C)c12 12500059 FEOWFEHHVBARQL-LBPRGKRZSA-N 429.586 5.470 0 40 IKAB COCCn1c(C)cc(C(=O)CS[C@@H](c2ccccc2)c2ccc(Cl)cc2)c1C 12635029 WNKVDYFBVGYDSL-DEOSSOPVSA-N 427.997 6.110 0 40 IKAB COC(=O)c1ccccc1NC(=O)CSc1nc2cc(Cl)ccc2c2c1CCCC2 12645020 ACNORAHSTNETBZ-UHFFFAOYSA-N 440.952 5.284 0 40 IKAB O=C(CN1CCC[C@H]1c1nc2ccccc2s1)Nc1ccccc1Oc1ccccc1 12691955 NTPOJASYUZGGBT-NRFANRHFSA-N 429.545 5.864 0 40 IKAB CCCN(CC(=O)c1c(-c2ccccc2)[nH]c2ccccc12)Cc1nnc(-c2ccco2)o1 12766156 HWPZJIQHZBDZQH-UHFFFAOYSA-N 440.503 5.573 0 40 IKAB CC(C)(C)c1ccc(CSc2nnc(CN3CCCCC3)n2Cc2ccccc2)cc1 12997197 XIGBDKLWELCJKZ-UHFFFAOYSA-N 434.653 5.902 0 40 IKAB 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(C)CCc2ccccc2)C1 13400636 QXDFHJAYYMOLSW-QJVNCJMLSA-N 436.680 7.600 0 40 IKAB biogenic Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)[C@@H](c3ccc(C(C)C)cc3)C2=O)cc1C 15413526 BRDPRBXNULLIIG-NDEPHWFRSA-N 440.587 6.165 0 40 IKAB CCOC(=O)c1ccc(-c2ccc([C@H]3N=C(O)c4c(sc5c4CC[C@@H](C)C5)N3)o2)cc1 15947807 IUNOCORREBYTMT-ASSNKEHSSA-N 436.533 5.739 0 40 IKAB COCCNCc1cc(Br)c(OCc2ccc(Cl)cc2Cl)c(OC)c1 16194390 VERLCSFLDAWPSG-UHFFFAOYSA-N 449.172 5.080 0 40 IKAB Cc1ccc(-n2nnnc2-c2cnc(C(C)(C)C)nc2-c2ccc(C(F)(F)F)cc2)cc1 16311543 AQGNSXPQODKLPE-UHFFFAOYSA-N 438.457 5.411 0 40 IKAB Cc1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)nc1 16737319 MORLOXRRPDDXDS-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB COc1ccc2[nH]c(C)c(CCN(Cc3ccco3)C(=S)Nc3cccc(F)c3)c2c1 16977523 FFKWUTSCZWXGCE-UHFFFAOYSA-N 437.540 5.659 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 17085941 SFVPUTHNERPBEZ-QKKBWIMNSA-N 440.996 6.667 0 40 IKAB CCc1ccc2oc(-c3ccc(NC(=O)COc4ccc([C@@H](C)CC)cc4)cc3)nc2c1 17095971 FETXDIRCBKUYFB-SFHVURJKSA-N 428.532 6.588 0 40 IKAB O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc3ncccc23)C1)c1cccs1 19400728 LUCARIUSSHTQDA-NLFFAJNJSA-N 442.588 5.075 0 40 IKAB Cc1ccc(-c2nc(CC(=O)Nc3ccc(-c4cn5ccsc5n4)cc3)cs2)cc1 20005390 MCOCQUNNFUSVHS-UHFFFAOYSA-N 430.558 5.676 0 40 IKAB CC(C)C[C@H](NC(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccco2)cc1)c1ccccc1 20460271 BSJIOUCBAIEOPW-OZXSUGGESA-N 448.588 5.571 0 40 IKAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(NC(=O)c4ccco4)cc3C(F)(F)F)cc2C1 22227108 RFRCTIHPOASRDO-GFCCVEGCSA-N 448.466 5.989 0 40 IKAB CCc1ccc([C@@H](CNC(=O)c2ccc(SCc3csc(C)n3)cc2)N(C)C)cc1 22684773 NVGGMDNQTXAFDG-HSZRJFAPSA-N 439.650 5.339 0 40 IKAB COc1ccc(-c2nc(CSc3nnc(Nc4ccccc4)s3)cs2)cc1OC 23639567 TWMYPVOSCHUJDJ-UHFFFAOYSA-N 442.591 5.715 0 40 IKAB Cn1c(=O)n(C)c2cc(SC3CCCCC3)c(NC(=O)c3cccc(Cl)c3)cc21 28049218 NCSCFTGNRAVZNK-UHFFFAOYSA-N 429.973 5.208 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N(C)Cc1nc2ccccc2n1C(F)F 32895244 ZEKDWHVFYSIZCS-NSHDSACASA-N 428.266 5.164 0 40 IKAB Cc1cc(C)cc(NC(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)c1 34706789 LYXSVDRMMHZBCZ-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 35264340 JKHFJXOCAWUDGW-UHFFFAOYSA-N 430.891 5.763 0 40 IKAB Cc1c(-c2ccc(F)cc2)nn2c1N=C(O)C[C@H]2C(=O)Nc1cccc(OC(F)(F)F)c1 35685010 ASZWAHCWXMICBL-INIZCTEOSA-N 448.376 5.068 0 40 IKAB Cc1ccc(CN2C(=O)[C@@H](CC(=O)Nc3ccc(C)cc3C)n3c2nc2ccccc23)cc1 39964002 BHMAPFATEGQUDA-XMMPIXPASA-N 438.531 5.078 0 40 IKAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)/C=C/c3ccc(-c4ccccc4)o3)c2C(N)=O)C1 57316064 IHPVZDOPLLTSPJ-WKOYGUFESA-N 448.588 5.910 0 40 IKAB O=C(Cn1cccc1-c1nc(-c2ccc(Cl)cc2)no1)Nc1ccc(F)cc1Cl 57486720 YJKLWEXOMHQLHH-UHFFFAOYSA-N 431.254 5.290 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCCC1)c1csc(-c2ccccn2)n1 58370052 TVFCEQGSUODKAS-UHFFFAOYSA-N 432.471 5.467 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)Nc1cccc(NC(=O)c2ccccc2Cl)c1 59294562 LVAJFIAHYHXXNJ-JQIJEIRASA-N 442.902 6.504 0 40 IKAB O=C(Nc1ccc(Oc2ncc(Cl)cc2Cl)cc1)c1cc(F)c(F)c(F)c1F 61967591 STMDYAASLPXPQE-UHFFFAOYSA-N 431.172 5.989 0 40 IKAB Fc1ccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c(Cl)c1 67261489 ODECXGRAONSSAQ-UHFFFAOYSA-N 438.293 6.003 0 40 IKAB Cc1ccc(-c2cc3c(SCC(=O)N[C@@H](C)CCc4ccccc4)nccn3n2)cc1C 67289891 VWTJRWWNFXRARI-FQEVSTJZSA-N 444.604 5.243 0 40 IKAB CC[C@H](C)[C@H](NC(=O)c1cc(Cl)ccc1Cl)C(=O)Nc1cccc(N2CCCC2)c1 69351530 XYJXKXJWAADCFR-BTYIYWSLSA-N 448.394 5.377 0 40 IKAB Cc1ccc2c(c1)[C@@H](NC(=O)COc1ccc(Cl)cc1Br)CC(C)(C)O2 218857917 CTHWNLQDXYUZDM-INIZCTEOSA-N 438.749 5.208 0 40 IKAB Cc1ccc2c(c1)[C@H](NC(=O)COc1ccc(Br)cc1Cl)CC(C)(C)O2 218947007 CAEKKWIQALIHDV-MRXNPFEDSA-N 438.749 5.208 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1Cl 223092234 ZNERNCDMUFBZRP-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB C[C@H](NC(=O)c1cn2c3c(cc(Br)cc3c1=O)C[C@H]2C)c1ccc(Cl)cc1 223108876 VIWXIEIXYRKNNY-NEPJUHHUSA-N 445.744 5.026 0 40 IKAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1ccccc1C 223329549 VXYANJFWSDOFAX-QGZVFWFLSA-N 435.395 5.178 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(Cl)cc2C)cc1COc1cccc(OC)c1 224587786 QRUDRXNHDWLZRI-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(Cl)c2)cc1COc1ccc2ccccc2c1 224640717 JPZBFVWWXZQRKB-UHFFFAOYSA-N 431.919 6.723 0 40 IKAB Cc1ccccc1CN(C(=O)CSCc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224678558 VNLXLUKZTNJPBC-NRFANRHFSA-N 438.637 5.094 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccc(C(C)C)cc1 225029755 JCTPXQNFWNIPJN-HHHXNRCGSA-N 448.651 5.999 0 40 IKAB Cc1ccc(CSCCNC(=S)Nc2ccc(Br)c(Cl)c2)cc1 225293284 HCSIQPICYHJSNS-UHFFFAOYSA-N 429.836 5.631 0 40 IKAB Cc1ccccc1[C@H](NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1)c1ccccc1 225507141 ACBIWCFELSMDLU-RUZDIDTESA-N 429.589 5.506 0 40 IKAB Cc1ccc(NC(=S)NCCCSCc2ccc(Cl)cc2)cc1N1CCCC1=O 225610717 JIWLVQWSNKZBFM-UHFFFAOYSA-N 448.057 5.385 0 40 IKAB CCCOC1(C(=O)Nc2ccc(OCCCN3CCC[C@@H](C)C3)cc2)CCCCCC1 225659801 FJHKPZGHJRCJRD-JOCHJYFZSA-N 430.633 5.646 0 40 IKAB Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H](c2ccc(Cc3c(F)cccc3F)cn2)C1 257201846 AJGQIDPSXIWJID-LJQANCHMSA-N 449.520 6.259 0 40 IKAB Cc1cc(-c2ccc(C(=O)O)cc2)c2c(c1)[C@H]1O[C@@H](C)[C@@H](c3ccccc3)C[C@@H]1C(C)(C)O2 257304449 SLRKNUYYOBBLEK-CIFHMGLWSA-N 442.555 6.781 0 40 IKAB CCOc1cc(C(=O)Nc2cccc(F)c2)cc(Br)c1OCc1ccccc1 408557577 OUPVEXDUMCELPO-UHFFFAOYSA-N 444.300 5.818 0 40 IKAB CSc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)c(C)c1 408622265 NAALQCCURGSATE-UHFFFAOYSA-N 446.981 5.423 0 40 IKAB Cc1ccc(C(C)C)c(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccccc4C)C3)cc2)c1 408646788 WKYPNJURUIOFCF-NRFANRHFSA-N 442.559 6.211 0 40 IKAB Cc1ccc(C)c(N2C[C@H](C(=O)Nc3ccc(Br)c(Cl)c3C)CC2=O)c1 408649669 YWINMKHKOHBYDW-CQSZACIVSA-N 435.749 5.019 0 40 IKAB COc1ccc(/C=C(/C(=O)NCCSCc2ccccc2Cl)c2ccccc2)cc1 408923324 VWIBAMVCBYKSGW-HAVVHWLPSA-N 437.992 5.939 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1ccc(Cl)cc1 409362531 RAJMTPMHJWYNAV-UHFFFAOYSA-N 447.029 5.424 0 40 IKAB O=C(c1noc2c1CCCCC2)N1CCCCCOc2ccccc2Oc2ncccc2C1 643562638 LCPAELBPBHDOLB-UHFFFAOYSA-N 447.535 5.336 0 40 IKAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H](c2cccc(Cc3ccc(F)cc3)n2)C1 1848355091 UOJONOIWUTVBBM-HXUWFJFHSA-N 427.523 5.242 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc2nc(-c3ccccc3)cc(C(F)(F)F)n2n1 677204 QXVPKVAONRMBAZ-UHFFFAOYSA-N 430.817 5.629 0 40 IKAB COc1ccccc1NC(=O)c1c(NC(=O)c2cccs2)sc(-c2ccccc2)c1C 850260 HNNNBSQVAKIAOC-UHFFFAOYSA-N 448.569 6.298 0 40 IKAB O=C(Nc1nc(-c2ccc3c(c2)CCN3C(=O)c2ccccc2F)cs1)C1CCCC1 1238192 MMGZSAYTMJBBOS-UHFFFAOYSA-N 435.524 5.281 0 40 IKAB O=C(Cc1cccc2ccccc12)Nc1ccc(Br)cc1C(=O)c1ccccc1 1746103 ONGSCJDAVFUXHK-UHFFFAOYSA-N 444.328 6.015 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(C)c(NC(=O)c4cc(Cl)cc(Cl)c4)c3)nc2c1 2067430 UAOFUUBWWRBPBG-UHFFFAOYSA-N 425.315 6.979 0 40 IKAB CCCCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](Nc1ccccc1)c1ccc(C)cc1 2207611 DZPBDMXGLOBEDH-MXBOTTGLSA-N 436.536 6.592 0 40 IKAB Clc1cc(Cl)c(-c2c(Cl)cc(Cl)c(Cl)c2Cl)c(Cl)c1Cl 2569343 YPDBBDKYNWRFMF-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic,in-vitro O=C(CCCSc1nnc(-c2cccnc2)n1-c1ccccc1F)c1ccc(F)cc1 2622477 IYUUWWAVYDYQBQ-UHFFFAOYSA-N 436.487 5.363 0 40 IKAB Fc1ccccc1Cn1cc2c(-c3ccc(Cl)cc3)nnc-2c2cc3c(cc21)OCCO3 2688448 AGUISAVYAZLVRY-UHFFFAOYSA-N 445.881 5.815 0 40 IKAB Cc1ccc(Sc2c(C)nn(-c3ccccc3)c2OC(=O)c2c(F)cccc2F)cc1 2718536 WGUIKHUEYXYBFV-UHFFFAOYSA-N 436.483 6.138 0 40 IKAB O=C(/C(=C/c1ccc(Cl)cc1)c1ccc(F)cc1)N1CCC(Cc2ccccc2)CC1 3213634 RIWITBMKDLGVGX-LGUFXXKBSA-N 433.954 6.501 0 40 IKAB Cc1cc(C(=O)COC(=O)c2ccc(-c3ccc(O)cc3)cc2)c(C)n1Cc1cccs1 3352144 JLQFUNPHEASMKA-UHFFFAOYSA-N 445.540 5.627 0 40 IKAB CCc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2-c2cc(C)cc(C)c2)cc1 3371567 DWXFPFBRFINWTK-UHFFFAOYSA-N 443.572 5.296 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)ccc3o2)cc1NC(=S)NC(=O)c1ccccc1C 3770760 MVINBSNYZNZEAE-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccccc2-c2nc3ccccc3s2)c1 5946850 PCVLSGWOCVKNHH-UHFFFAOYSA-N 447.585 5.879 0 40 IKAB CCC(C)(C)c1ccc(OCC(=O)Oc2cccc(NC(C)=O)c2)c(C(C)(C)CC)c1 6053768 XZIDCBJBXBXQDX-UHFFFAOYSA-N 425.569 6.005 0 40 IKAB CC(C)c1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@@H](C)C4)cc1 6059802 ABTZYGAATWMHJB-QGZVFWFLSA-N 433.573 6.635 0 40 IKAB Cc1ccc(OCCn2c(CCCNC(=O)C3CCCCC3)nc3ccccc32)c(C)c1 6752588 CWVAHSZWCBLKNO-UHFFFAOYSA-N 433.596 5.361 0 40 IKAB CSc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccco2)cc1 8612883 IKORWCQXIZAGAD-JOCHJYFZSA-N 431.513 5.470 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(F)c2)n1 8827447 UKNMIFCGWGLNBT-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB CC(=O)N1CCN(c2ccc(NC(=O)c3sc4ccccc4c3Cl)cc2Cl)CC1 8832559 BJZSQSMDZFWYJW-UHFFFAOYSA-N 448.375 5.129 0 40 IKAB CCN1C=C(c2ccc3cc(C)ccc3n2)[C@H](c2c[nH]c3ccccc23)c2cc(C)ccc21 8846640 JGQMQCFHQANMOF-PMERELPUSA-N 429.567 7.346 0 40 IKAB CCCCc1ccc(-n2nc3cc(Cl)c(NC(=O)c4cc5ccccc5o4)cc3n2)cc1 8920681 FMWIIWLORXXMHT-UHFFFAOYSA-N 444.922 6.415 0 40 IKAB CCC(C)(C)[C@H]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(F)cc4)o2)N3)C1 8920894 MTHVBNUESRSLER-OYHNWAKOSA-N 438.568 7.117 0 40 IKAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@@H]3c1ccc(C(C)C)cc1 8995757 DDICJIBKXILPMF-HXUWFJFHSA-N 432.501 5.131 0 40 IKAB Cc1ccc(CN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2cccc(O)c2)cc1 9200187 QANONNSGBKLXOD-DEOSSOPVSA-N 425.484 5.169 0 40 IKAB O=C(CCCSc1nc2ccccc2s1)N1CCC[C@@H]1c1nc2ccccc2s1 9216829 UUUJWCFMRNQSIB-QGZVFWFLSA-N 439.631 6.142 0 40 IKAB O=C(CSc1nnc(-c2cccc(F)c2)o1)Nc1cc(C(F)(F)F)ccc1Cl 9288350 NIHVEUUBRVODGU-UHFFFAOYSA-N 431.798 5.279 0 40 IKAB COc1ccc(CN(CC[C@@]2(Cc3ccccc3Cl)CCOC(C)(C)C2)C(C)=O)cc1 9308155 MZEBJUFDFQQLNJ-SANMLTNESA-N 444.015 5.905 0 40 IKAB CCCCOc1ccc([C@@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(C)cc4)=NN32)cc1 9309931 JCOSWLKWFVQNSZ-BDYUSTAISA-N 446.978 7.070 0 40 IKAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)N[C@@H]1CCCc2ccccc21 9491457 SXPMZNQIJMSYNF-DYESRHJHSA-N 444.560 5.202 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2cccc(F)c2)N1c1nc2ccccc2s1 9510566 ZGBMKTLCPDWCLX-FQEVSTJZSA-N 428.444 5.292 0 40 IKAB CN(Cc1ccsc1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9514000 ZYZQPTHQFVOLFT-UHFFFAOYSA-N 432.574 5.018 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](Sc2nc(-c3ccccc3)n[nH]2)c2ccccc2)c1 9603168 DGGLCVOOOIQUHJ-OAQYLSRUSA-N 428.517 5.146 0 40 IKAB Cc1occc1-c1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)n1-c1ccccc1 9711878 QCPOGPIKQZMIFU-JOCHJYFZSA-N 444.560 5.122 0 40 IKAB O=C(CCC(=O)c1cccs1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 9952728 VGIVCVKUDQXPOW-GOSISDBHSA-N 436.964 5.794 0 40 IKAB CCN(CC)c1ccc(-c2nnc(S[C@@H](C)C(=O)N[C@@H](C)c3ccc(F)cc3)o2)cc1 10037123 RVWRJGVCXUCCII-HOTGVXAUSA-N 442.560 5.080 0 40 IKAB CCc1cccc(CC)c1-n1c(SC[C@H](O)c2ccccc2)nnc1-c1cccnc1 10137055 UHNYTZNRWTYQQH-QFIPXVFZSA-N 430.577 5.280 0 40 IKAB COc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(SC)cc3)nc12 11143906 RYVNREJTXBLHLW-INIZCTEOSA-N 428.579 5.161 0 40 IKAB COc1ccc(C2=Nc3ccccc3C(c3ccc(-c4ccc(OC)cc4)cc3)=NN2)cc1 12497651 WXLNNYNKKPBUGV-UHFFFAOYSA-N 433.511 5.805 0 40 IKAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1cn(-c2ccccc2)nc1-c1ccc(F)cc1 12686029 DHLBRXQPRZKZHQ-UHFFFAOYSA-N 440.478 5.058 0 40 IKAB C[C@@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(Cl)cc1 12739527 UNAUDTFDRASUOL-GFCCVEGCSA-N 430.360 5.809 0 40 IKAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3Br)o2)c(C)c1 12790036 KTPZCWCKBRGYBV-CQSZACIVSA-N 446.370 5.544 0 40 IKAB Cc1nn2c(C(F)(F)Cl)cc(-c3ccc(C(F)(F)F)cc3)nc2c1Br 12953491 AVBUSOJGFKSESI-UHFFFAOYSA-N 440.597 5.774 0 40 IKAB Cc1nc(C[S@](=O)c2ccc(Cl)cc2)cc(Sc2ccc(C(C)(C)C)cc2)n1 12955613 IMMCUYPGYDBQPZ-MUUNZHRXSA-N 431.026 6.195 0 40 IKAB CCOc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccccc2)C(=O)c2ccco2)cc1 13025479 KVNLBWVYAHDVPH-VWLOTQADSA-N 446.547 5.121 0 40 IKAB Cc1ccc([C@H](C(=O)NC2CCCC2)N(CCc2ccccc2C)C(=O)c2ccco2)cc1 13026835 DIBZRIJJUQQLMY-AREMUKBSSA-N 444.575 5.381 0 40 IKAB Cc1ccc(N2C(=O)CC[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]2c2cccs2)cc1 13041364 OKIGMVXMUVJBFM-XXBNENTESA-N 438.980 6.141 0 40 IKAB COc1ccc(-[n+]2c(C)cc(/C=C3\Sc4ccc5ccccc5c4N3C)cc2C)cc1 13051263 AYJVMHOCJOTUQS-UHFFFAOYSA-N 425.577 6.282 0 40 IKAB Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 13055636 GEUMDWFHHNXBJO-ZHACJKMWSA-N 438.314 5.963 0 40 IKAB Cc1cccc(NC(=O)CSc2nc(-c3cccc(C)c3)nc3c2COC(C)(C)C3)c1 13557362 OFHXPKUJSFISEL-UHFFFAOYSA-N 433.577 5.343 0 40 IKAB C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1 13685303 GGKLAPREKKRELW-UXHICEINSA-N 438.527 5.737 0 40 IKAB C[C@@H]1[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)CN(C2CCCCC2)[C@@H]1c1ccccc1 13763698 BPODYCZWRPAIBO-LSUPZWPOSA-N 437.627 7.295 0 40 IKAB O=C1CCSc2ccc(C(=O)Nc3cccc(-c4nc5ccccc5s4)c3)cc2N1 14183872 OZSIQTBXDJKIEO-UHFFFAOYSA-N 431.542 5.650 0 40 IKAB Cc1cc(C)cc(-c2nc3cc(NC(=S)NC(=O)Cc4ccc(Cl)cc4)ccc3o2)c1 14270878 WXADKMMWPOALPH-UHFFFAOYSA-N 449.963 5.821 0 40 IKAB Cc1cccc(-n2nc(C)c3c(C(=O)N4C[C@H](C)O[C@H](C)C4)cc(-c4cccs4)nc32)c1 14360972 WHAZCILUGAUQET-CALCHBBNSA-N 446.576 5.015 0 40 IKAB CCn1c(SCc2csc(-c3ccc(OC)c(OC)c3)n2)nnc1-c1cccs1 14701943 YIXJWTHQCHBNKO-UHFFFAOYSA-N 444.607 5.460 0 40 IKAB O=C1S/C(=C\c2ccc(Br)c([N+](=O)[O-])c2)C(=O)N1c1ccc(Cl)cc1 15221930 IVCDPYZIRJHRDJ-ZSOIEALJSA-N 439.674 5.252 0 40 IKAB O=C(C[C@@H](c1ccccc1)N(O)[C@@H](CC(=O)c1ccccc1)c1ccccc1)c1ccccc1 16477322 DYHLOJFRBWLQOT-NSOVKSMOSA-N 449.550 6.706 0 40 IKAB Cc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1NC(=O)c1cccnc1Cl 17098196 DBBIBSFGCBIKRE-UHFFFAOYSA-N 432.694 6.411 0 40 IKAB Clc1ccc(Nc2nc(NC3CCCCCC3)nc3c2cnn3-c2ccccc2)cc1 17200415 PUROWDYKQACTEC-UHFFFAOYSA-N 432.959 6.347 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCc3nc(-c4cccc(Cl)c4)no3)o2)cc1 17981557 LNVKXTCMDOJEKP-UHFFFAOYSA-N 426.929 6.030 0 40 IKAB COc1ccccc1CCC(=O)N1CCC[C@H](c2ccc(Cc3cccc(F)c3)cn2)C1 19688151 VKZJKTOZIGTGKK-QHCPKHFHSA-N 432.539 5.159 0 40 IKAB O=S(=O)(c1ccccc1)c1cc2ccccc2o/c1=N\c1ccc(Br)cc1 20285518 SOFKPLGJMCAQCM-LNVKXUELSA-N 440.318 5.261 0 40 IKAB Cc1cccc(C)c1NC(=O)CCCSCC(=O)N[C@@H](C)c1ccc2ccccc2c1 21360148 JFMLJVGXLQHIJR-FQEVSTJZSA-N 434.605 5.786 0 40 IKAB COc1ccc2nc(C)c(C(=O)Nc3cc(C(F)(F)F)ccc3-n3cccn3)cc2c1 25815227 GZHUFNSMOJTONN-UHFFFAOYSA-N 426.398 5.009 0 40 IKAB COc1cc(CN(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccn2)cc(OC)c1OC 27580241 IUNQQJDLMKMSRQ-UHFFFAOYSA-N 434.536 5.252 0 40 IKAB O=C(Cn1c([C@@H](Sc2ccccc2)c2ccccc2)nc2ccccc21)N1CCCCC1 27697733 QOTFOFVXUMDSHJ-SANMLTNESA-N 441.600 5.931 0 40 IKAB CCc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3ccc(OC)cc3)CC2=O)cc1 27792781 WHMVREDAKHGZAR-NRFANRHFSA-N 425.532 5.176 0 40 IKAB CCN(C(=O)COc1ccc(OC)cc1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993180 QYKCOYAULRCZKI-HHHXNRCGSA-N 428.532 5.502 0 40 IKAB O=C(/C=C/c1ccco1)NC(=S)Nc1cccc(-c2nc3c(ccc4ccccc43)o2)c1 32127300 MOWIHKBIVPFFAQ-ACCUITESSA-N 439.496 5.767 0 40 IKAB CCOC(=O)c1cc(NC(=O)c2ccc(OCc3ccccc3Cl)cc2)ccc1Cl 44885221 GHGJECKVCFIVLL-UHFFFAOYSA-N 444.314 6.001 0 40 IKAB CN(c1cccc(Cl)c1)S(=O)(=O)c1ccsc1-c1nc(-c2cccc(F)c2)no1 49001817 SYSSXCYMCWMKBW-UHFFFAOYSA-N 449.916 5.083 0 40 IKAB CC(C)(C)OC(=O)N1CCC(N(C(=O)CCc2ccc(F)cc2)c2ccccc2)CC1 58015431 PBIJVJYWQLRIGX-UHFFFAOYSA-N 426.532 5.191 0 40 IKAB O=C(Nc1ccc(F)cc1)[C@@H](c1ccccc1)N1CCC(c2nc3ccccc3s2)CC1 58164488 KDHVDEPHRNYAJC-XMMPIXPASA-N 445.563 5.995 0 40 IKAB O=C(Nc1cccc(-n2cc[nH]c2=S)c1)c1ccccc1-c1ccc(C(F)(F)F)cc1 65607058 CGYIUNNZEJVMOI-UHFFFAOYSA-N 439.462 6.473 0 40 IKAB CC(C)C(=O)NC1CCN(c2nnc(-c3ccc(Cl)c(Cl)c3)c3ccccc23)CC1 72274378 MQRGOHZKEQZXFP-UHFFFAOYSA-N 443.378 5.345 0 40 IKAB CCCc1ncc(-c2ccncc2)c([C@@H]2CCCCN2Cc2cccc(OC)c2OC)n1 72390677 FXGDUJBXQSZRNJ-QFIPXVFZSA-N 432.568 5.236 0 40 IKAB O=C(NCc1ccnc(-n2ccnc2)c1)c1sc2cc(C(F)(F)F)ccc2c1Cl 95381658 FNPGLDLRJXPSGJ-UHFFFAOYSA-N 436.846 5.084 0 40 IKAB OC1=C2C(=Nc3ccccc3S[C@H]2c2cc(Br)ccc2F)c2ccccc21 101060451 RFDSFQKMKPWWDY-QFIPXVFZSA-N 438.321 6.839 0 40 IKAB FC(F)(F)c1nc2n(n1)[C@H](c1ccc(Cl)c(Cl)c1)C=C(c1ccc(Cl)cc1)N2 102235872 NFVCQOUPKKJLKW-HNNXBMFYSA-N 445.659 6.313 0 40 IKAB COc1ccc(CN2C(=O)/C(=C/Nc3c(C)cc(C)cc3C)c3ccccc3C2=O)cc1 103005039 RKWVKGJLVJIACN-BUVRLJJBSA-N 426.516 5.256 0 40 IKAB CCOC(=O)N1[C@H]2CC=CC[C@@H]1[C@@]1(c3ccccc3)O[C@@]2(c2ccccc2)c2ccccc21 103951453 YLIPKJUKPFIPCK-YJAMSFDDSA-N 437.539 5.763 0 40 IKAB C[C@@H]1CC[C@@]2(C)CC[C@]34C[C@]3(CC[C@@H]3[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]34C)[C@H]2[C@@H]1C 104131452 ULWYRERWMYGJNF-UQKFYMCESA-N 426.729 7.859 0 40 IKAB O=C1S/C(=C/c2ccc(Cl)cc2Cl)C(=O)N1Cc1ccc(Cl)cc1Cl 214394106 JFRGJLBKCDMBQE-PJQLUOCWSA-N 433.143 6.537 0 40 IKAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCc1ccc(Cl)cc1Cl 222830110 ZPIQUSGDZFNEMZ-CQSZACIVSA-N 441.786 5.480 0 40 IKAB CC[C@H](NC(=O)c1cccc(OCc2ccccc2Cl)c1)c1ccc2c(c1)CCCC2 223110483 XYJFSKVGALFJOC-SANMLTNESA-N 433.979 6.679 0 40 IKAB Fc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3Cc3ccncc3)o2)cc1 223511796 KZLYTWXYCMNPIG-XZOQPEGZSA-N 430.508 5.048 0 40 IKAB Fc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccc(F)cc2)cc1 224407710 YGRWEZWEJISUSA-DHIUTWEWSA-N 432.499 5.328 0 40 IKAB Fc1ccccc1N1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc(Cl)cn1 224443621 CVABTFNWTLGMBI-YADHBBJMSA-N 449.942 5.237 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccn(-c3ccccc3)c2)N1c1ccc(Cl)cc1 224480597 ZUIDLKGQRIGZBI-GOTSBHOMSA-N 430.964 5.703 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(OC3CCCC3)cc2)cc1 224692174 AXHWKSCHHOWMFT-ULJHMMPZSA-N 430.504 5.319 0 40 IKAB Cc1cccc(C(=O)N/C(=C\c2cccs2)C(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)c1 224704213 JEMJYNYIAAGIJX-ODHYRZOZSA-N 446.616 6.002 0 40 IKAB Cc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC2CCCCC2)cc1 224777093 BLOLQWGCJHCNHZ-FQEVSTJZSA-N 441.015 5.447 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1C 225346136 VAKZQLXKPBPCJX-SJORKVTESA-N 435.395 5.176 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)n1C 225367337 PPOYZYFWNDORAY-JWQCQUIFSA-N 446.620 5.535 0 40 IKAB CCOc1cc(CNC(=S)Nc2ccc(CSc3ccccc3)cc2)ccc1OC 225770588 WIOQKVBQHQMJOQ-UHFFFAOYSA-N 438.618 5.873 0 40 IKAB COCCC(=O)N[C@]1(C)C[C@@H](c2ccc(Cl)cc2)O[C@@H](c2cccc(Cl)c2O)C1 257239276 HOQMURGQBOXBLT-NNMXDRDESA-N 438.351 5.203 0 40 IKAB O=C(N1CCC[C@@H](Cc2cccc3ncccc23)C1)C1(Cc2ccccc2F)CCOCC1 257240135 HSEKQOCULNDJFQ-NRFANRHFSA-N 446.566 5.195 0 40 IKAB Cc1cc(-c2ccc(Br)cc2)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 408635778 BUFQYAMIACFHBP-UHFFFAOYSA-N 432.243 6.153 0 40 IKAB CCOc1ccccc1NC(=O)c1cc2c(N3CCCCC3)nc(SC)nc2s1 408637090 XKEDSACGYZFDTP-UHFFFAOYSA-N 428.583 5.055 0 40 IKAB Cc1cccc(NC(=O)c2nc(-c3ccc(F)cc3)n(-c3ccc(Cl)c(Cl)c3)n2)c1 408697579 IDLHQIDXBSLIQV-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB COc1cccc(NC(=O)c2nc(-c3ccc(C)cc3)n(-c3cc(Cl)ccc3C)n2)c1 408699214 SFXRAQUPDRDVJP-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 408702233 LVNZRUNQKHXYOM-UHFFFAOYSA-N 441.380 5.119 0 40 IKAB CCOc1cc(C)c(/C=C2\SC(=O)N(CCOc3ccccc3)C2=O)cc1C(C)C 409051860 NPNVJFVGDGHQRB-JCMHNJIXSA-N 425.550 5.632 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3cccc(Cl)c3)nnc2-c2ccccc2)cc1 409108535 WPTGGGFOMMWSHZ-UHFFFAOYSA-N 448.979 5.881 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(Cc3cccc(Br)c3)C2=O)cc1OC 409154983 HYLDQKSJUUNWLC-WOJGMQOQSA-N 448.338 5.093 0 40 IKAB COc1ccccc1OCCn1cc(C(=S)N2CCc3ccccc3C2)c2ccccc21 409201061 USOSDIUVMQFSSS-UHFFFAOYSA-N 442.584 5.463 0 40 IKAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=O)N(CC(=O)c4ccccc4)C3=O)o2)cc1 409220388 YLMWPUPFIDOVIW-LPYMAVHISA-N 431.469 5.068 0 40 IKAB C/C(=C\COc1ccccc1CN(C)C(=O)c1ccc(-c2ccco2)cc1)CCC(=O)O 1384260198 WZFMWAHUFRLQRH-XDJHFCHBSA-N 433.504 5.409 0 40 IKAB O=C(CSc1nc(-c2ccc(Cl)cc2)c[nH]1)Nc1c(Cl)cc(Cl)cc1Cl 853494 OIXQGNDBTPPQLW-UHFFFAOYSA-N 447.174 6.421 0 40 IKAB CC(=O)O[C@H]1c2cc(N3CCOCC3)c(Cl)cc2N[C@H](c2ccc(C)cc2)C1(C)C 1075117 VFYZBKMASOPBDO-PKTZIBPZSA-N 428.960 5.282 0 40 IKAB Cn1nc(C(F)(F)F)c(CNC(=O)c2cccc(C(F)(F)F)c2)c1Oc1ccccc1 1402144 IMRIFGZMAZSNOS-UHFFFAOYSA-N 443.347 5.180 0 40 IKAB CC(=O)Oc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3C(F)(F)F)n2)cc1 1415766 VVARKJMBTRTNID-UHFFFAOYSA-N 443.450 5.915 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2ccc(Cl)cc2)o1 2061363 VERSWLYRZMGSRD-UHFFFAOYSA-N 430.916 7.129 0 40 IKAB CC(C)c1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(Cc4ccccc4)C(=O)N32)cc1 2103175 FEZSASLVQYQVCM-AHKZPQOWSA-N 449.554 5.770 0 40 IKAB biogenic O=C(NCCCc1ccccc1)c1cc2c([nH]c3ccccc32)c(CCc2ccccc2)n1 2122625 AOMVDASPOTVIQE-UHFFFAOYSA-N 433.555 5.864 0 40 IKAB biogenic Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nnc2-c2cccc(Cl)c2)cc1 2235777 DYECTFDNAYGKDN-UHFFFAOYSA-N 437.927 6.010 0 40 IKAB O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NC(c1ccccc1)c1ccccc1 2320008 YFACBUFAXURAEA-UHFFFAOYSA-N 440.543 5.139 0 40 IKAB COc1nnc(-c2ccc(N3CCCCC3)c(NC(=O)c3ccccc3)c2)c2ccccc12 2427539 CXGKCWZOCVZVRO-UHFFFAOYSA-N 438.531 5.548 0 40 IKAB Cc1ccc(C23C[C@@H]4C[C@H](C2)CC(c2csc(NC(=O)c5ccc(F)cc5)n2)(C4)C3)cc1 2683860 MNTAAHKIAAZLRN-WANOEJIPSA-N 446.591 6.633 0 40 IKAB O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)OCC(=O)c1ccc(Cl)cc1 3166776 RHGKPJPVVHZRFB-VAWYXSNFSA-N 425.893 5.093 0 40 IKAB CCOc1ccc(C(=O)OCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)cc1OCC 3231650 DXGVMBBXROSFEL-UHFFFAOYSA-N 446.714 5.240 0 40 IKAB Cc1ccccc1-n1c(SCc2ccc(Cl)cc2Cl)nnc1-c1cccnc1 3280590 NVYTTZXSBVYQIJ-UHFFFAOYSA-N 427.360 6.237 0 40 IKAB CC(C)(C)c1ccc(C(=O)CCC(=O)OCC(=O)c2ccc(C3CCCCC3)cc2)cc1 3293915 JVWRHLIDDMAKHG-UHFFFAOYSA-N 434.576 6.421 0 40 IKAB Cc1ccccc1OCCSc1nnc(-c2c[nH]c3ccccc23)n1-c1ccccc1C 3299589 DSJBERXHBKDBHK-UHFFFAOYSA-N 440.572 6.204 0 40 IKAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2cc(=O)oc3cc4c(cc23)CCC4)n1 3438341 NNEKQFSLEJIXIY-UHFFFAOYSA-N 439.924 5.021 0 40 IKAB Cc1ccc(Cc2sc(Br)nc2NC(=O)CNc2ccc(C)cc2)cc1 3491345 GHQRLZZEAIWRJF-UHFFFAOYSA-N 430.371 5.164 0 40 IKAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3oc4c(c3c2)C[C@H](C(C)(C)C)CC4)cc1C 4660871 WNKSOVUCYYNQLZ-GOSISDBHSA-N 425.594 6.310 0 40 IKAB N[C@@H](CCCCCCCCCCCC[C@@H](N)C(=O)c1ccccc1)C(=O)c1ccccc1 5759565 YITBJFFBJDRKLW-WMPKNSHKSA-N 436.640 6.088 0 40 IKAB Cc1ccc(NC(=O)CSc2ncc(-c3ccccc3)n2C(=O)C2CCCCC2)c(C)c1 6321523 DVQQYQHYYFNBHT-UHFFFAOYSA-N 447.604 6.118 0 40 IKAB COc1ccc([C@H]2NCCc3c2[nH]c2ccccc32)cc1CSc1nc2ccccc2[nH]1 8740299 IYYGDDRCJUCTLJ-XMMPIXPASA-N 440.572 5.580 0 40 IKAB biogenic COc1ccc(NC(=O)/C=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)cc1 8781785 YLLCJMYIQKGMHE-YIXHJXPBSA-N 428.315 6.233 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3ccc(F)cc3)CC2=O)cc1 8871523 FVVBVHICISMMOT-LJQANCHMSA-N 429.495 5.143 0 40 IKAB O=C(NC(=S)Nc1ccc(N2CCCC2)c(Cl)c1)c1cccc2c(Cl)cccc12 9064761 GTTSWJPNCBFDOA-UHFFFAOYSA-N 444.387 5.874 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cccc(-c3nc4cc(C(C)C)ccc4o3)c2)cc1 9064775 SZRGCPAZZFOSFD-UHFFFAOYSA-N 443.572 6.307 0 40 IKAB Cc1ncc(CO)c2c1Oc1nc(-c3ccccc3)nc(SCc3ccccc3F)c1C2 9116430 VSUOPTJYQVPVIO-UHFFFAOYSA-N 445.519 5.467 0 40 IKAB C=Cc1ccc(COc2ccc(-c3nc(N)ncc3-c3ccc(OC)cc3)c(O)c2)cc1 9129153 ZERRBJSLRQVBES-UHFFFAOYSA-N 425.488 5.329 0 40 IKAB biogenic O=C(Cc1ccccc1)Nc1c2c(nn1-c1ccc(Oc3ccccc3)cc1)CSC2 9404519 LABDPDVECSUNKW-UHFFFAOYSA-N 427.529 5.593 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 9410376 BGTQDQSOFJSZIH-HIFRSBDPSA-N 428.773 5.181 0 40 IKAB CN(Cc1ccccc1N1CCCCC1)C(=O)c1cccc(NC(=O)c2cccs2)c1 9469063 FUOAXIYQJYJEHY-UHFFFAOYSA-N 433.577 5.263 0 40 IKAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)Nc1cccc(Cl)c1Cl 9583247 SLSLMEOBGFACRO-UHFFFAOYSA-N 428.391 5.701 0 40 IKAB Clc1cccc(-n2nc(-c3ccccc3)c3cnc4ccc(Br)cc4c32)c1 9675857 MJXWDHDCCIXLJK-UHFFFAOYSA-N 434.724 6.657 0 40 IKAB Cc1ccccc1NC(=O)CSc1nc2c(oc3ccccc32)c(=O)n1CCC(C)C 9751162 GVXAUCUJFFQOJY-UHFFFAOYSA-N 435.549 5.228 0 40 IKAB Cc1nn2c(C(F)(F)F)cc(-c3ccc(OC(C)C)cc3)nc2c1-c1ccc(Cl)cc1 9906212 QDVQBJWYXZORKS-UHFFFAOYSA-N 445.872 6.831 0 40 IKAB CCOc1cc(/C=C(\c2nc(C)cs2)c2nc3ccccc3n2C)cc(Cl)c1O 9914998 NMBWDKWRXGNPLJ-DHDCSXOGSA-N 425.941 5.685 0 40 IKAB COc1ccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(C)cc3)c2C)cc1Cl 10314462 ICSQAEJMLKPOCU-UHFFFAOYSA-N 444.940 5.019 0 40 IKAB Cc1cccc(N(Cc2ccc(C(=O)Nc3c(C)cc(C)cc3C)cc2)S(C)(=O)=O)c1 10325647 KBGNFUYCLHMYFL-UHFFFAOYSA-N 436.577 5.139 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3ccc(Cl)cc3)cc2)cc1Cl 10330617 JQOZSOVMOZKSFM-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB Cc1nc(SCC(=O)N(Cc2ccccc2)c2ccccc2)n(C[C@@H]2CCCO2)c1C 10380753 XFBJAOIPRXHKBS-QHCPKHFHSA-N 435.593 5.004 0 40 IKAB O=S(=O)(NCc1ccc(OCc2ccc(F)cc2)cc1)c1cc(Cl)ccc1Cl 10543782 MWUGMWCZDIYFRC-UHFFFAOYSA-N 440.323 5.190 0 40 IKAB Cc1cc(C(=O)COC(=O)C2(c3cccc(F)c3)CCCC2)c(C)n1Cc1cccs1 12565518 ZKQNLUFQWHYGJU-UHFFFAOYSA-N 439.552 5.592 0 40 IKAB C[C@H](NC(=O)CNc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1)c1ccccc1 12607705 XCWGKYBZBOQABH-INIZCTEOSA-N 441.453 5.247 0 40 IKAB CC(=O)N[C@H](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)c1ccc(Cl)cc1 12861206 DADHACSINYINTK-QPPBQGQZSA-N 438.980 5.143 0 40 IKAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cccc(I)c1 12881296 MTCQABNAKDIPDX-UHFFFAOYSA-N 426.304 5.037 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccco3)nc3c2cnn3C(C)C)cc1Cl 12924878 ZFLBTIFFOCAAIV-UHFFFAOYSA-N 437.887 5.136 0 40 IKAB COc1ccc(NC(=O)c2cn(Cc3ccc(C)cc3)nc2-c2ccc(C)cc2)c(OC)c1 13018250 UZKWBNORVJOEOJ-UHFFFAOYSA-N 441.531 5.485 0 40 IKAB O=C(CSc1nnc(-c2ccc(O)cc2)o1)N1c2ccccc2Sc2ccccc21 13424357 QEVIFTHDNBIGDY-UHFFFAOYSA-N 433.514 5.364 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 13512342 SDEAXBDLFYOJET-UGSOOPFHSA-N 448.589 5.029 0 40 IKAB O=C(CN1C(=O)CC(c2ccccc2)=Nc2ccccc21)Nc1ccccc1C(F)(F)F 13563976 PMHVAFXMPTXZLR-UHFFFAOYSA-N 437.421 5.202 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2c3c(nc4ccccc24)CC[C@@H](c2ccccc2)C3)cc1 13575340 KXXSHNBMRIXNIM-JOCHJYFZSA-N 435.523 5.855 0 40 IKAB CC1CCN(c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 14271881 HBWSPGWYXASRQX-RUDMXATFSA-N 448.419 5.756 0 40 IKAB CCCC(=O)Nc1cccc(NC(=O)c2cc3ccccc3c(Br)c2OC)c1 14273092 BDTHLWXNIHMPQU-UHFFFAOYSA-N 441.325 5.602 0 40 IKAB CCCn1c(C)cc(-c2csc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)n2)c1C 14345326 XGBXRDCQSBFPBJ-SFHVURJKSA-N 436.581 5.168 0 40 IKAB COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccc(Cl)cc2)o1 15778733 UNKUOOQKYFEUMP-FQEVSTJZSA-N 434.883 5.310 0 40 IKAB Cc1ccn2c(=O)cc(COc3ccccc3NC(=O)Nc3cc(Cl)ccc3C)nc2c1 15865452 NYWVRPMALHGIJD-UHFFFAOYSA-N 448.910 5.188 0 40 IKAB O=C(c1cc(-c2ccccc2)nc2ccc(Cl)cc12)N1CCC(c2ccccc2)CC1 17095212 WXRGAJDPSXGGQG-UHFFFAOYSA-N 426.947 6.575 0 40 IKAB CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N[C@H](C)c2ccc3ccccc3c2)cc1 17962758 AIEAUCKZDOVYMT-QGZVFWFLSA-N 446.576 5.427 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCc2nc3ccccc3[nH]2)n1 19691289 DYKXVKXCUFXBOS-XMMPIXPASA-N 428.511 5.369 0 40 IKAB CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20037423 KDBRROJAOBQPNH-RUZDIDTESA-N 443.587 6.628 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(F)cc2)o1)Nc1ccc(-c2ccc(CO)o2)c(Cl)c1 20145404 NPFRXUVNRYVQBH-XYOKQWHBSA-N 437.854 6.143 0 40 IKAB CC(C)c1ccc(C(=O)Nc2ccc(-c3nc4ccccc4o3)c(OCC(=O)O)c2)cc1 20158229 BSJLFSKGPFBSES-UHFFFAOYSA-N 430.460 5.334 0 40 IKAB COc1cccc(-c2nc3cc(NC(=O)c4ccc(-c5ccccc5Cl)o4)ccc3o2)c1 21579351 VVNXEWRHDFOGBQ-UHFFFAOYSA-N 444.874 6.669 0 40 IKAB COc1ccc([C@H](CNC(=O)c2oc3cc(C)cc(C)c3c2C)N2CCCCCC2)cc1 27583210 MDHBJZCFSYVYRK-QHCPKHFHSA-N 434.580 5.714 0 40 IKAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)N1CCC[C@H]1c1nc2ccccc2s1 31393111 QFNXQDPTJWNJKQ-KRWDZBQOSA-N 439.487 5.526 0 40 IKAB C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)c1nc(Cl)ccc1Cl 32900592 WFKFZFKNURVCCB-AWEZNQCLSA-N 428.319 5.474 0 40 IKAB Fc1ccc(-c2ccc(SCc3nc(-c4ccc(C(F)(F)F)cc4)no3)nn2)cc1 33022057 XLBZIYBBZFLOIO-UHFFFAOYSA-N 432.402 5.644 0 40 IKAB CCn1c(SCC(=O)Nc2ccccc2C)nc2cc(-c3ccccc3)sc2c1=O 33278117 RDDQYCIXESAYMK-UHFFFAOYSA-N 435.574 5.184 0 40 IKAB CCOc1cc(CNc2cccc(Cl)c2)ccc1OCC(=O)Nc1ccc(Cl)cc1 33784391 ZDUYVYZLUZGQMX-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB Nc1c(Cl)cc2oc(-c3cc(I)ccc3Cl)nc2c1Cl 34772923 NSNOYJCHWBQNSM-UHFFFAOYSA-N 439.467 5.642 0 40 IKAB COCc1nn2c(C)c(C(=O)Nc3ccccc3Cl)cnc2c1-c1ccc(Cl)cc1 38829789 WSCFCFUUCCBZOB-UHFFFAOYSA-N 441.318 5.410 0 40 IKAB CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1Cl)c1ccc(C)cc1 44900710 JCLATZSTOAEXAI-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB CCn1nc(C)c2nc(SCc3cc(C)ccc3C)n(Cc3ccc(F)cc3)c(=O)c21 64817409 JIGMVFUPSFNYQE-UHFFFAOYSA-N 436.556 5.018 0 40 IKAB CC[C@@H](CC(=O)NC[C@@H]1CCCN(C(=O)C[C@@H](CC)c2ccccc2)C1)c1ccccc1 79022851 MCDFXZLRMOZUSM-KMDXXIMOSA-N 434.624 5.509 0 40 IKAB COc1ccc([C@@H]2NC[C@@H](c3cccc(OC)c3OC)c3c2[nH]c2ccccc32)cc1OC 83975917 MIBRBZIHVIFGLP-DFBJGRDBSA-N 444.531 5.027 0 40 IKAB O=C(Nc1ccc(-c2nccs2)cc1)N1CCO[C@H](c2ccc(Br)cc2)C1 84421787 YDDHXFCRRNZMPZ-SFHVURJKSA-N 444.354 5.178 0 40 IKAB COc1ccc([C@H]2SC(C)=Nc3c2c(=O)[nH]n3[C@H]2CCOC(C)(C)C2)c2ccccc12 96116788 VSDKNURJXFKBEG-YCRPNKLZSA-N 437.565 5.354 0 40 IKAB Cc1nc2ccc(C(=O)NC[C@H]3CC[C@H](c4nnc(-c5cccs5)o4)CC3)cc2s1 100156315 IYCAEXBCMMWXCS-GASCZTMLSA-N 438.578 5.420 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(C(=O)Nc4cccc([C@H](C)O)c4)cc3N2)cc1 102681685 ZCLHYOSGLYGZBR-DCPHZVHLSA-N 444.457 5.157 0 40 IKAB Clc1ccc(COc2ccc(CNc3ccc(Br)cc3)cc2)c(Cl)c1 107031558 MJIDDRSMZGQPAX-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1S(=O)(=O)Nc1cccc(C)c1C 107590115 YETYGFWBUUPLSJ-UHFFFAOYSA-N 444.556 5.818 0 40 IKAB CC[C@H](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)C(C)C 118912505 FFLGORGANMRISQ-GTQUWJOWSA-N 432.733 7.076 0 40 IKAB CC(=O)O[C@@H]1C[C@@H]2CC[C@@H]3[C@H](CC[C@@]4(C)[C@H]3CC[C@@H]4[C@H](C)CCCC(C)C)[C@@]2(C)CC1=O 118935182 DKOFZQMYSDOQHR-FNUGKIMXSA-N 444.700 7.218 0 40 IKAB O=C(COc1ccc(Cl)cc1Br)N(Cc1ccccc1)Cc1ccccc1 218852613 QEWKJCIHHXYWGU-UHFFFAOYSA-N 444.756 5.710 0 40 IKAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219764449 CLAQVFBXPHPALT-QGZVFWFLSA-N 436.939 5.700 0 40 IKAB Cc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cc(Cl)ccc1OCc1ccccc1 219774533 IEDRNJZWFQCTHW-JOCHJYFZSA-N 435.951 6.260 0 40 IKAB CC[C@H](C(=O)Nc1c(C)cccc1C(C)C)N(c1cc(Cl)ccc1C)S(C)(=O)=O 220717345 MJGQFUAFMCSFOA-LJQANCHMSA-N 437.005 5.264 0 40 IKAB CCCOc1ccccc1CCCNC(=O)CSCc1ccc(Cl)cc1Cl 222727581 MHBBBNOSBCYMSN-UHFFFAOYSA-N 426.409 5.764 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(C)c1 222800885 DRLBXVNDONSYGJ-NRFANRHFSA-N 435.395 5.176 0 40 IKAB CC[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)N(CC)Cc1nc(-c2cccs2)no1 222942240 USUYEQPXHNRXCY-SFHVURJKSA-N 427.570 5.302 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C2CCCCC2)c(C)n1Cc1cccnc1 223085500 GOFWYMMOSIIXQE-DQEYMECFSA-N 445.636 5.248 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)Cc1ccc(Cl)cc1Cl 223140305 IAFRZXHNRFCOKX-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(C)cc1 223254746 VDJSQHJUGXXFGM-DEOSSOPVSA-N 438.612 5.185 0 40 IKAB Cc1ccc(C(=O)N2CCc3cc(S(=O)(=O)Nc4ccc(C(C)C)cc4)ccc32)cc1 223374830 CZQAVGJBKRCYAE-UHFFFAOYSA-N 434.561 5.122 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2cccn2-c2cccc(Cl)c2)N1Cc1ccccn1 223528203 OTZURBRWYFQZSN-GOTSBHOMSA-N 445.979 5.093 0 40 IKAB Cc1cccc(CN(C(=O)Cc2c(Cl)cccc2Cl)[C@H](C)C(=O)NCC(C)C)c1 224174604 TTXTVVYCDLMCQI-QGZVFWFLSA-N 435.395 5.034 0 40 IKAB COc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(Cl)c(C)c1 224205031 YZRAWLYBGDGGPP-UHFFFAOYSA-N 430.331 6.450 0 40 IKAB CCCc1ccc(OCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 224543954 PAUBGBZOFLMEIT-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)cc2)cc1 224557950 WLINCFWFECAIAX-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(OC)cc1 224599388 AVZQHYGKWTXDGZ-UHFFFAOYSA-N 429.875 5.718 0 40 IKAB COc1ccc(OC)c(NC(=O)c2ccccc2-c2ncc(-c3ccc(Cl)cc3)o2)c1 224961974 WCCQQSFGYZEYBR-UHFFFAOYSA-N 434.879 5.932 0 40 IKAB COc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(CSc3ccccc3)cc2)cc1 225265892 SBTBQIRQJBTDQG-GOSISDBHSA-N 438.618 5.741 0 40 IKAB CCOC(=O)c1ccc(NC(=S)NCCSc2ccc(Cl)cc2)cc1Cl 225288748 GHVBZKYBOXEHHS-UHFFFAOYSA-N 429.394 5.249 0 40 IKAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225302722 JBTZCQZOAIBHIG-JOCHJYFZSA-N 449.422 5.486 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(C)cc1 225331270 ODJZFQNNNSQAGK-ZWKOTPCHSA-N 449.422 5.566 0 40 IKAB COc1ccc(NC(=S)NCCSCc2c(F)cccc2Cl)c2cccnc12 225370208 RABCRUVODKUJPW-UHFFFAOYSA-N 435.977 5.256 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)COc1ccc(Cl)c(C)c1 225576924 GMRVNTDGMCYNQM-AUSIDOKSSA-N 445.003 5.058 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 225585293 CVTFWRBIWAYQDI-VGSWGCGISA-N 449.422 5.566 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CSCc1cccc(C)c1 225665145 FOXVPPPLGNMKTQ-CVDCTZTESA-N 444.616 5.089 0 40 IKAB CC[C@@H](C(=O)NC(C)C)N(Cc1ccccc1C)C(=O)CSCc1cccc(Cl)c1 225720694 NYCFJWGOIUMURN-QFIPXVFZSA-N 447.044 5.214 0 40 IKAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4Cl)C3)cc2)c1C 408647718 XHRMVHLTMMUCFN-GOSISDBHSA-N 434.923 5.741 0 40 IKAB O=C(Nc1ccc(Oc2ccc3ccccc3c2)cc1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 408650196 ZVASWAOMRWRXAJ-HXUWFJFHSA-N 440.474 5.763 0 40 IKAB COc1ccc(N(C)C(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 408975991 DICAEULFUJAMHZ-UHFFFAOYSA-N 425.444 5.435 0 40 IKAB CCOc1cc(C=O)ccc1OCC(=O)Nc1ccc(C23CC4CC(CC(C4)C2)C3)cc1 409007918 RTVFLHFPKPPWFG-UHFFFAOYSA-N 433.548 5.383 0 40 IKAB CCc1ccccc1NCc1c(OCc2ccc(Br)cc2)ccc2ccccc12 409112502 DCFKKBWIPZDOIL-UHFFFAOYSA-N 446.388 7.356 0 40 IKAB Clc1cc(Cl)c(OCc2ccc(Br)cc2)c(CNc2ccccc2)c1 409116089 KNYVHIUQNBFLFI-UHFFFAOYSA-N 437.164 6.947 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Br 409191487 XDAJGHKCAPCQHY-MHWRWJLKSA-N 438.730 5.742 0 40 IKAB CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccccc4)c4ccccc43)o2)cc1 409193078 BIZNYNCJBXGBSR-HKOYGPOVSA-N 435.479 6.342 0 40 IKAB Cc1ccc(-c2c(-c3ccccc3)s/c(=N\C(=O)c3ccccc3Cl)n2C)cc1C 409207456 XJSWHDJJIPSPKD-RFBIWTDZSA-N 432.976 6.432 0 40 IKAB CCOc1ccc(C(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)o2)cc1 623455 QDNBGLVJPIPOJY-UHFFFAOYSA-N 426.538 5.454 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccccc1)c1ccc2c(c1)OCO2)Cc1ccc(OC)cc1 779479 DKKAEBNTCBNCFO-DEOSSOPVSA-N 431.532 5.385 0 40 IKAB biogenic COc1ccccc1[C@H]1C2=C(O)CC(C)(C)CC2=Nc2ccccc2N1C(=O)CCC(=O)O 1408966 SVVGXUXJVZXOTF-VWLOTQADSA-N 448.519 5.353 0 40 IKAB CS(=O)(=O)c1c(-c2ccccc2)n(-c2ccc(Cl)cc2)c2nc3ccccc3nc12 1410402 BFBPZYPKRXSWAK-UHFFFAOYSA-N 433.920 5.298 0 40 IKAB CCc1nc(SCC(=O)N[C@@H](C)CCc2ccccc2)c2c3c(sc2n1)CCCC3 2342915 HMHWWYRBORXKKV-INIZCTEOSA-N 439.650 5.362 0 40 IKAB Cc1cc2nc(Nc3ncc4c(n3)C[C@@H](c3ccc(F)cc3)CC4=O)nc(C)c2cc1C 2419546 WMNPJVZUIIQJMZ-QGZVFWFLSA-N 427.483 5.140 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nccs2)c1 2420054 KERSJGDMVABECF-HXUWFJFHSA-N 432.501 5.097 0 40 IKAB O=C(Nc1ccc(C23C[C@H]4C[C@H](CC(c5ccccc5)(C4)C2)C3)cc1)c1ccc(F)cc1 2683847 UJYLROGBOCGOJA-QURFURGYSA-N 425.547 6.868 0 40 IKAB O=C(CSc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)N[C@@H]1CCCc2ccccc21 2725996 OHZGCGFWMSQWBO-QGZVFWFLSA-N 433.364 5.064 0 40 IKAB O=C(N[C@H](Nc1ccccc1F)C(Cl)(Cl)Cl)c1ccc(Br)cc1 2880547 BKPINNKWXDQGTF-AWEZNQCLSA-N 440.527 5.126 0 40 IKAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(F)cc2F)cc1C 3250351 XYSBPZBKOXTDLV-UHFFFAOYSA-N 436.483 5.256 0 40 IKAB Cc1cccc(Nc2nnc(SCc3nc4sc5c(c4c(=O)[nH]3)CCCC5)s2)c1 3304114 WDTMNWQOFHQAJL-UHFFFAOYSA-N 441.607 5.059 0 40 IKAB CCc1ccc(OCc2nnc(SCc3ccc(C(C)(C)C)cc3)n2CC(C)C)cc1 3363406 TUZOKPYGIYBNSB-UHFFFAOYSA-N 437.653 6.665 0 40 IKAB COc1cc2ccccc2cc1C(=O)N1CCN(c2nc3c(C)cc(C)cc3s2)CC1 8601660 UBQNIGPZYNTFTP-UHFFFAOYSA-N 431.561 5.037 0 40 IKAB Cc1[nH]c2ccccc2c1SCC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1 8922833 OPAMMOKIPMYTRM-NRFANRHFSA-N 449.576 6.147 0 40 IKAB COc1ccc(Nc2ccccc2NC(=O)c2ccc(NC(=O)c3cccs3)cc2)cc1 8965779 POLSPIFRCOJYLH-UHFFFAOYSA-N 443.528 6.005 0 40 IKAB CCOc1ccc(-c2cc(OCC)c3c(C)oc(C)c3/c(=N/c3ccccc3N)c2)cc1 9076342 ZNDXKMIAQCGPET-RMLRFSFXSA-N 428.532 6.329 0 40 IKAB Cc1sc(/N=c2\cc(-c3ccc4c(c3)OCO4)oc3ccccc23)nc1-c1cccs1 9130549 SPDJEHHZJQUUOR-KOEQRZSOSA-N 444.537 6.554 0 40 IKAB O=C1c2ccccc2N[C@@H](c2ccc(-c3nc4ccccc4s3)o2)N1C[C@@H]1CCCO1 9208624 WHWXMYFYJJKUDM-OYHNWAKOSA-N 431.517 5.302 0 40 IKAB Brc1ccc(-n2ncc3c(SCc4cccc5ccccc45)ncnc32)cc1 9291802 DVYCQBQWEZQQNO-UHFFFAOYSA-N 447.361 6.024 0 40 IKAB Cc1ccc(-c2[nH]c3ccccc3c2[C@H]2c3ccccc3C(=O)N2CCCOC(C)C)cc1 9355434 LFSJMNAZRKZGAB-MUUNZHRXSA-N 438.571 6.504 0 40 IKAB Cn1c(-c2ccccc2)c([C@H]2c3ccccc3C(=O)N2Cc2ccccc2)c2ccccc21 9355477 JOEQMEWVLXSMQS-GDLZYMKVSA-N 428.535 6.591 0 40 IKAB CCOc1ccccc1C(=O)Nc1ccc(N2C(=O)c3cccc4cccc(c34)C2=O)cc1 9491441 LGHOQQOWTNRYRB-UHFFFAOYSA-N 436.467 5.291 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2Cc2nc3scc(-c4ccccc4)c3c(=O)[nH]2)c1 9494389 HMZGKWRBDXYBQT-HXUWFJFHSA-N 447.560 5.006 0 40 IKAB Clc1ccccc1-c1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4cccs4)=NN32)o1 9593073 FYDFIXKGEYGTDK-CYFREDJKSA-N 432.932 6.904 0 40 IKAB Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(-c4cc5c(s4)CC[C@@H](C)C5)o3)o2)cc1 9595619 OQQXSKJMHYGEEM-ZIAGYGMSSA-N 438.578 6.135 0 40 IKAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2-c2ccccc2)cc1 9639185 NYEHPOVRHVCRFT-INIZCTEOSA-N 430.533 5.103 0 40 IKAB COc1ccc(OC)c2sc(N(Cc3cccnc3)C(=O)c3cccc(Cl)c3)nc12 9829766 SVMRJMSFJDUXJR-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB Cc1noc(C)c1COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3s2)cc1 10029090 FVPQVQWYLIEOQS-JOCHJYFZSA-N 447.560 5.848 0 40 IKAB COc1ccc(-c2nc(CSc3nc(C4CC4)nc4ccccc34)cs2)cc1OC 10944616 FUDQZAUIFWMHJS-UHFFFAOYSA-N 435.574 5.940 0 40 IKAB CCc1c(C)sc2nc(C3CC3)nc(SCC(=O)Nc3cc(C)ccc3OC)c12 12500098 NJIZZLHGOGYMQS-UHFFFAOYSA-N 427.595 5.487 0 40 IKAB Cc1ccc(C(=O)NCCC(c2ccccc2)c2ccccc2)cc1NC(=O)c1ccco1 12549959 RDVHEMHNWTWATQ-UHFFFAOYSA-N 438.527 5.792 0 40 IKAB C[C@@H](c1nnc(SCc2cc(-c3cccs3)on2)n1-c1ccc(F)cc1)N(C)C 12558380 NAXCFFPVZGSKJI-ZDUSSCGKSA-N 429.546 5.038 0 40 IKAB Cc1ccc(-c2n[nH]c(SCC(=O)N3c4ccccc4OC[C@H]3c3ccccc3)n2)cc1 12600343 DCXFSTPQAVKQCK-NRFANRHFSA-N 442.544 5.039 0 40 IKAB Clc1ccc(CSc2nnc(Cc3cccs3)n2C2CCCCC2)cc1Cl 12619344 CYKUCDUVXPQEJY-UHFFFAOYSA-N 438.449 7.035 0 40 IKAB O=C(COC(=O)c1ccccc1C(F)(F)F)Nc1cc(C(F)(F)F)ccc1Cl 12624472 MRAHLATVAILNST-UHFFFAOYSA-N 425.712 5.173 0 40 IKAB CCCOc1ccc(NC(=O)Cn2c(-c3cccc(C)c3)n[nH]c2=S)cc1OCCC 12741589 GMRNDRBFBKYNLW-UHFFFAOYSA-N 440.569 5.132 0 40 IKAB COc1cccc(Oc2ccc(C(F)(F)F)cc2NC(=O)CC(C)(C)CC(=O)O)c1 12799652 JVPCTADVVXIECJ-UHFFFAOYSA-N 425.403 5.336 0 40 IKAB CC(C)(C)c1ccc(-c2csc(NC(=O)C3CCN(C(=O)c4ccoc4)CC3)n2)cc1 12853953 PLVZRXWCSFPYKF-UHFFFAOYSA-N 437.565 5.192 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1 13074113 SGHZFUSNKZGHTE-UHFFFAOYSA-N 425.394 5.823 0 40 IKAB CC[C@@H](C)c1ccc(-c2csc(NC(=O)c3cccc(CS(C)(=O)=O)c3)n2)cc1 13095972 UWRDENWCRGEYOC-OAHLLOKOSA-N 428.579 5.121 0 40 IKAB CC(C)N(C(=O)CSc1nnc(-c2ccccc2F)n1CCc1ccccc1)C(C)C 13121425 YGYQPQMIEIGNKS-UHFFFAOYSA-N 440.588 5.064 0 40 IKAB Cc1ccc(C)c2nc(Cl)c(CN(CCc3ccc(Cl)cc3)C(=O)C3CC3)cc12 13562015 ZZBHQGNJZBPEAE-UHFFFAOYSA-N 427.375 6.140 0 40 IKAB C[C@@H](CCc1ccccc1)N1C(=O)c2ccccc2[C@@H]1N(c1ccccc1)c1ccccc1 13893404 NTUUEGNLHWOMJX-IADCTJSHSA-N 432.567 7.001 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3ccc(NC(=O)c4ccc(Cl)cc4)cc3c2C)c1 15729526 WVDXQYIJHUHYNF-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic CCOc1cc(CNCc2ccc(F)cc2)ccc1OCc1ccc(Cl)cc1Cl 16689156 BAFYWUQNNYEWAK-UHFFFAOYSA-N 434.338 6.400 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 19690901 MIPLEYLVPCWEHG-AREMUKBSSA-N 427.523 5.507 0 40 IKAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccc2c(Br)cccc12 20139072 UHZOZHKYWYOJBN-UHFFFAOYSA-N 436.305 5.915 0 40 IKAB CC[C@H](NC(=O)c1ccc([C@H]2SCC(=O)N2Cc2ccccc2)cc1)c1ccc(C)cc1 20493883 VLHAEXNGHOSRCR-RPLLCQBOSA-N 444.600 5.650 0 40 IKAB COc1ccc(NC(=O)c2nnc3c(-c4ccc(Cl)cc4)c(C(C)C)nn3c2C)cc1 20797853 JYHZSCIMCLPZML-UHFFFAOYSA-N 435.915 5.137 0 40 IKAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2ccc(OC(F)F)cc2OC(F)F)cc1 21705467 KOKXHUBCZSCMMY-DBEXCURXSA-N 439.405 5.275 0 40 IKAB CCOc1cc(CNn2c(C)n[nH]c2=S)cc(Cl)c1OCc1ccc(Cl)cc1 22112387 HDIFJJVCYVCNMY-UHFFFAOYSA-N 439.368 5.277 0 40 IKAB CC(=O)c1ccc(-c2ccc(C(=O)N(CCc3cccs3)Cc3cccs3)o2)cc1 23080764 LUPHMYGFXKDNTH-UHFFFAOYSA-N 435.570 6.157 0 40 IKAB C[C@]1(C(=O)Nc2ccc(C(F)(F)F)cc2)CCC(=O)N1Cc1ccc(C(F)(F)F)cc1 33434028 GRFGKUZPTSCGCZ-LJQANCHMSA-N 444.375 5.244 0 40 IKAB Cc1ccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)c(C)c1 34859297 LZLLJDINQOAMIJ-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB Cc1cc(C)c2nc(Cl)c(CN(Cc3cccnc3)C(=O)Nc3ccccc3C)cc2c1 35290190 CQPVWBGPPLOOER-UHFFFAOYSA-N 444.966 6.443 0 40 IKAB COc1cccc(Cn2cnc3c4cc(F)ccc4n(Cc4cc(C)ccc4C)c3c2=O)c1 35400450 DYFNVQFUEAECKI-UHFFFAOYSA-N 441.506 5.212 0 40 IKAB CC(C)Oc1cccc(CNC(=O)C2CCN(Cc3ccc(Cl)c(Cl)c3)CC2)c1 44882616 MBKHSINGXGHLKD-UHFFFAOYSA-N 435.395 5.309 0 40 IKAB COc1cccc2c(Nc3ccc(Br)cc3)cc(C(=O)N3CCCCC3)nc12 49003006 IJAPOFJHOFGSDG-UHFFFAOYSA-N 440.341 5.376 0 40 IKAB CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CNCc1cccc(Cl)c1 57911223 XKTQDTFPYPNORU-UHFFFAOYSA-N 434.970 5.035 0 40 IKAB CCC[C@@](C)(NC(=O)c1oc2ccccc2c1C)C(=O)Nc1cccc(N2CCCC2)c1 58203298 GCFJANZPPKHBLS-AREMUKBSSA-N 433.552 5.269 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2cccnc2SC2CCCCC2)cc1 72217340 JZSKCLDHDMZRQM-QFIPXVFZSA-N 430.639 5.731 0 40 IKAB O=C(NCc1cccc2ccccc12)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 90607595 QFZNMIIRFPHOJK-UHFFFAOYSA-N 429.442 5.007 0 40 IKAB CSc1ccsc1C(=O)N[C@@H]1CCCCC[C@H]1NC(=O)c1sccc1SC 95456645 HCBAXJRZMOKVGZ-CHWSQXEVSA-N 440.681 5.115 0 40 IKAB O=C(NCCc1ccccc1)[C@H]1c2ccccc2C(=O)N(Cc2ccco2)C12CCCCC2 96344381 QPTMZQKPNBVKSD-RUZDIDTESA-N 442.559 5.081 0 40 IKAB Cc1ccc([C@@H]2CC(c3ccc(Br)cc3)=NN2C(=O)c2cccc(F)c2)o1 97105803 CYTMUXWOBITLCR-IBGZPJMESA-N 427.273 5.481 0 40 IKAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(Br)c(C(F)(F)F)c1 98072879 OEDITPFDJDYEFX-UHFFFAOYSA-N 449.075 5.576 0 40 IKAB Brc1cccc([C@H]2C=C(c3ccc(-c4ccccc4)cc3)Nc3nnnn32)c1 101100877 AHJHKWHWTVKNOK-OAQYLSRUSA-N 430.309 5.159 0 40 IKAB CCOc1ccc(Nc2c(S(=O)(=O)c3ccccc3)cnc3ccc(CC)cc23)cc1 101309225 VIZRUNNZWVZSQK-UHFFFAOYSA-N 432.545 5.772 0 40 IKAB CCC(CC)C(=O)N1N=C(c2cccc(NS(C)(O)O)c2)C[C@H]1c1ccccc1C 101890143 BSKCMWYCRUKMFD-QFIPXVFZSA-N 429.586 5.816 0 40 IKAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 108055068 KSKGSTRFGYYLGO-UHFFFAOYSA-N 425.517 5.004 0 40 IKAB C[C@H]1CCCC[C@@H]1n1c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)nnc1-c1cccnc1 108831192 PGBAWKOSYNMYFQ-YRNRMSPPSA-N 446.580 5.181 0 40 IKAB O=S(=O)(Cc1ccccc1F)Nc1ccc(-c2csc(Nc3cccnc3)n2)cc1 208006891 LVTUWYLERXWOKL-UHFFFAOYSA-N 440.525 5.030 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3cccc(OCc4ccccc4F)c3)C2=O)c1 214593550 YWCDRLWDIYOEOJ-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCc1ccc(C(C)C)cc1 223816502 FHPVIBCGLJYHSY-VWLOTQADSA-N 440.603 5.605 0 40 IKAB C[C@H]1CCCCN1c1ccc(NC(=S)NCC2(c3ccc(Cl)cc3)CCCC2)cn1 223978774 IBDTVAAZSRPTEC-SFHVURJKSA-N 443.060 5.912 0 40 IKAB COc1ccc(C(=O)Nc2c(F)cccc2F)cc1COc1ccccc1C(C)(C)C 224170337 DULKZOIAAVEHQO-UHFFFAOYSA-N 425.475 6.102 0 40 IKAB CCc1cccc(CC)c1NC(=O)c1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224359799 LJNXAJMCUOBWEX-UHFFFAOYSA-N 436.577 5.279 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2Cc2cccnc2)N1c1ccc(Cl)cc1 224459433 KWDXZPMYNRAYQF-XZOQPEGZSA-N 445.979 5.157 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(C)c2C)cc1CSc1ccc(Cl)cc1 224671550 QIKRMZNOXPAPFC-UHFFFAOYSA-N 425.981 6.900 0 40 IKAB CCC(=O)Nc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2C(C)C)cc1C 225164385 LQROLPJWGXAMFN-BJKOFHAPSA-N 447.608 5.298 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 225491495 NEIFMNJYVREZIU-IIBYNOLFSA-N 435.395 5.258 0 40 IKAB Cc1ccc(C2(C(=O)Nc3ccc(OCCN4C[C@H](C)C[C@@H](C)C4)cc3)CCCC2)cc1 225512953 ULIBBUFZYMCXHC-DHIUTWEWSA-N 434.624 5.802 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 225520930 ARRKCADNIQICDL-AUSIDOKSSA-N 429.004 5.303 0 40 IKAB CCOC(=O)c1ccc(NC(=S)N[C@H](c2ccccc2)c2ccc(C)cc2C)c(C)c1 225768900 DNNVQFCAPHBESS-XMMPIXPASA-N 432.589 5.865 0 40 IKAB Cc1nc2ccccn2c1-c1nnc2sc(/C=C/c3ccc(Cl)cc3Cl)nn12 227143670 JMYRTCXEMKQFMY-SOFGYWHQSA-N 427.320 5.286 0 40 IKAB Cc1cc(OCC(=O)NC[C@H]2CC[C@H](c3nnc(-c4cccs4)o3)CC2)ccc1Cl 257229189 FXAXIFBQUWIUFV-WKILWMFISA-N 445.972 5.229 0 40 IKAB COc1ccc(F)cc1-c1ccc(C[C@@]2(C(=O)NCCC3=CCCCC3)CCCO2)cc1 257246177 ISWFBPKOELMBSR-HHHXNRCGSA-N 437.555 5.600 0 40 IKAB O=C(N1CCC2(CC1)C[C@H](Oc1ccc(F)cc1)CO2)C1(c2ccc(F)cc2)CCCC1 257251062 JPFWXMFRWFWRCL-QHCPKHFHSA-N 441.518 5.006 0 40 IKAB Cc1cc(C)cc(C2(C(=O)N3CCC4(CC3)CC(=O)NC[C@H]4c3ccccc3)CCCC2)c1 257295836 RABZQKOWLHVHIZ-VWLOTQADSA-N 444.619 5.028 0 40 IKAB CCCc1s/c(=N\C(=O)c2cccc(F)c2)n(CC)c1-c1ccc(Cl)c(Cl)c1 408561256 HIHVTTNPDJEQHZ-DAFNUICNSA-N 437.367 6.376 0 40 IKAB O=C(COc1ccc(C2SCCS2)cc1)Nc1ccc(OCc2ccccc2)cc1 408568876 LJEOKTMNAAWIRB-UHFFFAOYSA-N 437.586 5.762 0 40 IKAB Cc1ccc(-n2nc3cc(C)c(NC(=O)/C=C/c4ccc(-c5ccccc5)o4)cc3n2)cc1 408571768 FQQGWYFTNKPXJV-FYWRMAATSA-N 434.499 5.949 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(Cl)cc3)nc2-c2ccc(Cl)cc2)c1 408696225 YALDDSLTGDMMJS-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB COc1ccc(COc2ccc(-c3nc(O)c4c5c(sc4n3)CCCCCC5)cc2)cc1 408994694 ZQRIRQNDRPVSQV-UHFFFAOYSA-N 446.572 6.311 0 40 IKAB CCc1ccccc1NCc1cc(Br)c(OCc2ccccc2)c(OC)c1 409111977 BDGWGNHTYBALFR-UHFFFAOYSA-N 426.354 6.211 0 40 IKAB CCOc1ccc(NCc2ccc(OCc3ccc(Cl)cc3Cl)c(Cl)c2)cc1 409122091 YYUCYBNHDRGFJJ-UHFFFAOYSA-N 436.766 7.237 0 40 IKAB Cc1cccc(C)c1NC(=O)CN1C(=O)S/C(=C/c2ccc(Cl)cc2Cl)C1=O 409154387 NYVPXDPUCNXNQR-LZYBPNLTSA-N 435.332 5.285 0 40 IKAB Cc1cccc(N(CC(=O)Nc2cc(Cl)ccc2Cl)S(=O)(=O)c2ccccc2)c1 409335339 VUZSBRLBSTWSDD-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB CCOC(=O)c1c(NS(=O)(=O)c2ccc(Cl)cc2)sc2c1CCCCCC2 673103 YQVLLHXATWDAAU-UHFFFAOYSA-N 427.975 5.038 0 40 IKAB Nc1cccc(N2C(=O)c3cccc4c(-c5ncc(-c6ccccc6)o5)ccc(c34)C2=O)c1 842178 CEQDIAWPEUWKTR-UHFFFAOYSA-N 431.451 5.545 0 40 IKAB O=C(CSc1nnc(CNc2cccc(Cl)c2)n1-c1ccccc1)Nc1ccccc1 892509 JBSXVATYLOEDIY-UHFFFAOYSA-N 449.967 5.264 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(Br)cc1Br 996267 ZCPFUWMHBSCGCH-UHFFFAOYSA-N 436.103 5.427 0 40 IKAB Cc1[nH]c2ccccc2c1[C@H](Nc1ccc(I)cc1)c1ccncc1 1281063 IVBCLEVFHZEAOA-OAQYLSRUSA-N 439.300 5.677 0 40 IKAB CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)C(=O)c3ccccc3Cl)cc2c1 1366909 QGEICQKWZRPSFF-UHFFFAOYSA-N 436.895 5.016 0 40 IKAB CCSc1nnc(-c2sc3cc(C(F)(F)F)cnc3c2-c2cccs2)n1C 1392029 JTYICSOYKKQCMJ-UHFFFAOYSA-N 426.514 5.951 0 40 IKAB C=Cc1ccc(COc2ccc3c(=O)c(Oc4ccccc4OCC)c(C)oc3c2)cc1 2098024 BVELSPQGRLOLQG-UHFFFAOYSA-N 428.484 6.514 0 40 IKAB biogenic FC(F)C(F)(F)Oc1ccc(CSc2nc3cc(Cl)cc(Cl)c3o2)cc1 2190660 AEJASHFOWFCCIV-UHFFFAOYSA-N 426.218 6.664 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(c1nc(C)c(C)s1)C3=O 2245013 AEORTCSRKCTCFM-IBGZPJMESA-N 436.920 5.578 0 40 IKAB COc1ccc(-c2nc3nc4ccccc4nc3n2-c2cccc(Br)c2)cc1 2246145 VUFOIICFNKWFFS-UHFFFAOYSA-N 431.293 5.407 0 40 IKAB Cc1ccc(NC(=O)CSc2cc(C)nc3c(-c4ccc(Cl)cc4)c(C)nn23)cc1 2423178 WQVDHWSNZCDLQL-UHFFFAOYSA-N 436.968 5.706 0 40 IKAB Cc1nn(C2CCCCC2)c2c1[C@H](c1ccc(OCc3ccccc3)cc1)SCC(=O)N2 2450128 JGMZPARQWRTBOE-VWLOTQADSA-N 447.604 6.050 0 40 IKAB Clc1cc(-c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl)cc(Cl)c1Cl 2521605 VXXBCDUYUQKWCK-UHFFFAOYSA-N 429.772 8.581 0 40 IKAB biogenic,in-vitro Cc1sc(NC(=O)c2ccccc2)c([C@@H](c2cccc(Cl)c2)N2CCCCC2)c1C 2546525 UVIFOENUKWRGDS-HSZRJFAPSA-N 439.024 6.846 0 40 IKAB Fc1ccc(-c2nnc(SCc3nc(-c4ccccc4)no3)n2-c2ccccc2)cc1 2626372 UJQWCBANYGKWRO-UHFFFAOYSA-N 429.480 5.416 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cc(OCC(F)(F)F)cc(OCC(F)(F)F)c2)cc1 3207353 LJZXIBDIDNDVNH-UHFFFAOYSA-N 449.391 6.119 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)s2)c1C 3284042 ZCVXTHZECFPCQJ-UHFFFAOYSA-N 438.500 5.648 0 40 IKAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C 3319546 SCZMFQTXQDNCNX-UHFFFAOYSA-N 425.394 5.759 0 40 IKAB CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4768004 NCZZDYJSOQMMEC-XMMPIXPASA-N 426.495 5.720 0 40 IKAB Cc1ccccc1NC(=O)OCCCCCCCCCOC(=O)Nc1ccccc1C 4866994 BCJNTYCZAWKPHZ-UHFFFAOYSA-N 426.557 6.831 0 40 IKAB CC(C)CCCCCCCOP(OCCCCCCCC(C)C)Oc1ccccc1 6921174 SXXILWLQSQDLDL-UHFFFAOYSA-N 438.633 9.319 0 40 IKAB CCOc1cc(CNC2C3CC4CC(C3)CC2C4)ccc1OCc1ccc(Cl)cc1 8254510 VNMKXWMEPWMGLR-UHFFFAOYSA-N 426.000 6.232 0 40 IKAB Cc1cc(C)c(C(C(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)c(C)c1 8384838 YRJDIACHVRSZKN-UHFFFAOYSA-N 441.358 6.280 0 40 IKAB O=C(Nc1ccccc1Cl)c1ccc2c(c1)[C@H]1[C@H]3CC[C@H](C3)[C@@H]1[C@H](c1ccccc1)N2 8430028 LSEFRFXCYUDJGN-BGXCPIDJSA-N 428.963 6.889 0 40 IKAB CCc1ccc(NCCC(=O)c2ccc(C(=O)CCNc3ccc(CC)cc3)cc2)cc1 8783577 NZJOBWPNIITBNT-UHFFFAOYSA-N 428.576 6.181 0 40 IKAB O=C(/C=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)Nc1nc2ccc(Cl)cc2s1 8832030 YDJLHFWJHUPNHW-XBXARRHUSA-N 449.746 7.168 0 40 IKAB CCCC(=O)N1CCN(c2ccc(NC(=O)/C=C/c3ccc(Cl)cc3)cc2Cl)CC1 8832515 NTTAICUJALATOS-IZZDOVSWSA-N 446.378 5.094 0 40 IKAB COc1ccc(Cc2nnc(SCc3ccc(C(=O)Nc4ccccc4)cc3)o2)cc1 8981142 XUOUMODNZUIDIS-UHFFFAOYSA-N 431.517 5.214 0 40 IKAB C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(-c4ccc(Cl)cc4)n3)c2)C1 9346464 YNRKYFUNPRGPSW-OAHLLOKOSA-N 432.998 5.551 0 40 IKAB CCOC(=O)c1c(NC(=S)NC(=O)c2ccco2)sc2c1CC[C@@H](C(C)(C)CC)C2 9425756 CPOPREFCRHBBJT-CYBMUJFWSA-N 448.610 5.186 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1cc(C)cc(C)c1 9518331 JLVFZNVRXROWJF-UHFFFAOYSA-N 428.488 5.953 0 40 IKAB CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1OC 9518332 WTEZVSRKALTSTB-UHFFFAOYSA-N 430.460 5.345 0 40 IKAB Cc1nc(-c2cccs2)sc1-c1ccc(SCC(=O)c2ccc(Cl)cc2)nn1 9578109 VSBUVAKFKWNJIJ-UHFFFAOYSA-N 444.006 6.265 0 40 IKAB O=C(COc1ccc(Cl)c2cccnc12)N[C@@H](c1ccc(F)cc1)c1cccs1 9595436 DPGHICHUAFFXAG-NRFANRHFSA-N 426.900 5.373 0 40 IKAB COc1ccc(Cl)cc1N[C@H](c1ccc(Cl)cc1)c1nnc(-c2cccc(F)c2)o1 9606535 HFZUOOCIBBZKIE-HXUWFJFHSA-N 444.293 6.393 0 40 IKAB COc1ccc(NC(=O)N[C@H](c2ccc(Cl)cc2)c2nnc(-c3ccccc3)o2)cc1 9607333 IJZUMYDHBQFUGI-HXUWFJFHSA-N 434.883 5.310 0 40 IKAB COc1ccc(NC(=O)[C@H](C)Sc2nnc(-c3cccs3)n2C2CC2)cc1Cl 9639504 MYHZLMORRWUEPZ-NSHDSACASA-N 434.974 5.123 0 40 IKAB COc1ccccc1-n1cnnc1S[C@H](C(=O)Nc1cc(C)ccc1C)c1ccccc1 9669421 KCUIOQAOFITILK-QHCPKHFHSA-N 444.560 5.365 0 40 IKAB COc1ccc(-c2nnc([C@H](C)Sc3nnc(-c4cccs4)n3C3CC3)o2)cc1 9713813 HSPFBZHZZNFSPR-LBPRGKRZSA-N 425.539 5.253 0 40 IKAB O=c1c2ccccc2n(Cc2cccc(Cl)c2)c(=O)n1-c1ccc(Cl)c(Cl)c1 10156764 LDDAKWSJUQLWHT-UHFFFAOYSA-N 431.706 5.161 0 40 IKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3cccc(C(F)(F)F)c3)sc2c1 10187616 NYNZZWQERVMDAR-UHFFFAOYSA-N 443.450 5.566 0 40 IKAB Cc1noc(-c2ccc(OCc3c(Cl)cccc3Cl)cc2O)c1-c1ccccc1 11866320 UONDWQNUUWLSJC-UHFFFAOYSA-N 426.299 6.908 0 40 IKAB biogenic Cc1ccccc1CC(=O)N1CC[C@H](c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](C(C)(C)C)N3)C1 12160795 WCKFLZIELMIGRP-IHPCNDPISA-N 448.533 5.084 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cccc(Cl)c2)cc1 12195826 MYZOPMPZJVTFQF-LADGPHEKSA-N 439.342 6.634 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](Sc2nnc(Cc3ccccc3)n2C)c2ccccc2)c1 12569272 DRYHETIXUDABGI-XMMPIXPASA-N 442.588 5.495 0 40 IKAB CC[C@H](Sc1nnc2c3ccccc3n(C(C)C)c2n1)C(=O)Nc1ccc(Cl)cn1 12630226 GSWFEKKHUQWZMR-INIZCTEOSA-N 440.960 5.118 0 40 IKAB Cc1ccc(Cl)c(NC(=O)CN2CCc3sccc3[C@H]2c2ccccc2)c1Cl 12749011 FSXCMQSFRZMTRF-JOCHJYFZSA-N 431.388 5.950 0 40 IKAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccccc1Br 12914020 ZLFWEFNTFDZPPA-GFCCVEGCSA-N 433.327 5.155 0 40 IKAB CCc1ccc(OCCCn2c(CCNC(=O)C3CCCCC3)nc3ccccc32)cc1 13828263 NHAJYTMKHOBLDL-UHFFFAOYSA-N 433.596 5.307 0 40 IKAB Nc1nc2n(n1)[C@H](c1cccc(Br)c1)C[C@@H](c1ccc(Cl)cc1Cl)N2 13880441 XFQABZFFVGPTQF-GJZGRUSLSA-N 439.144 5.076 0 40 IKAB Cc1cc(C)cc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1 13936240 QVPQWVQVYYNXCB-UHFFFAOYSA-N 425.579 5.222 0 40 IKAB Cc1ccccc1-c1nnc(SCC(=O)N[C@@H](C)c2ccc(-c3ccccc3)cc2)n1C 14069434 QVDURZQEYCDECN-IBGZPJMESA-N 442.588 5.427 0 40 IKAB CCc1cccc(C)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCCCCC2)c1 14428057 HHMNIBXHEUHTIN-UHFFFAOYSA-N 434.989 5.028 0 40 IKAB O=C(c1cccc(Cl)c1)N1N=C2/C(=C/c3cccs3)CCC[C@@H]2[C@@H]1c1cccs1 15906022 JFKHTAOEQKQUED-YYRZZOBCSA-N 439.005 6.900 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)ccc1OCc1ccc(Cl)cc1Cl 16214726 BPMSUDHQBYUCKV-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB O=C(Nc1ccc(-c2nc3ccccc3s2)c(Cl)c1)c1ccc(Cl)c(Cl)c1 16545507 XVAJEDMGFIUGDX-UHFFFAOYSA-N 433.747 7.176 0 40 IKAB COc1ccc(Br)cc1[C@@H]1NC(=O)c2c(sc3c2CC[C@@H](C(C)(C)C)C3)N1 17083547 LRJUYPMKLYBAOY-ADLMAVQZSA-N 449.414 5.524 0 40 IKAB O=C(NC(=S)Nc1ccc(F)cc1F)c1ccc(-c2ccc(Cl)c(Cl)c2)o1 17095254 ZIBWCWSIWNGFJO-UHFFFAOYSA-N 427.259 5.658 0 40 IKAB O=C(NC(=S)Nc1ccc(CN2CCCCC2)cc1)c1ccc(-c2ccccc2)cc1 17096640 CLZJQOXSUXJHOY-UHFFFAOYSA-N 429.589 5.466 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OC)c(Cl)c4)cc3)nc2c1 17099269 ZIQUVLKXPDSSJB-HNNXBMFYSA-N 434.923 6.923 0 40 IKAB COc1ccc(C(=O)Nc2cc3nn(-c4ccc(C(C)C)cc4)nc3cc2C)cc1Cl 17099302 SQXMWZPDALVCMS-UHFFFAOYSA-N 434.927 5.767 0 40 IKAB Cc1cc2cc(NC(=O)c3cc([C@@H]4CCCN(C(=O)C5CCCCC5)C4)no3)ccc2n1C 19126231 NZBHLNLECIRTFY-LJQANCHMSA-N 448.567 5.013 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)COc2ccc3ccccc3c2)cc1 19631717 TYRZXXPFILUOMV-UHFFFAOYSA-N 440.499 5.024 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)c1 19636545 XJQRYNGDQUQILL-RTBURBONSA-N 442.559 7.438 0 40 IKAB CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 19646697 OUMMAIHSPFJXKE-JKSUJKDBSA-N 447.940 5.239 0 40 IKAB O=C(Nc1cc(Cl)c(Cl)cc1Cl)c1ccc(CN2CCCc3ccccc32)cc1 20111515 BXIHWLXOSGDXER-UHFFFAOYSA-N 445.777 6.852 0 40 IKAB CSc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2Cc2ccco2)cc1 20868229 RREIEDNXHNCUOK-DEOSSOPVSA-N 445.544 5.459 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1 22245945 MXYFUDOJOWJWJC-UHFFFAOYSA-N 431.536 6.177 0 40 IKAB O=C(Nc1nc2c(Cl)c(Cl)ccc2s1)c1cccc(OCc2ccccc2)c1 32126693 BECHKHRTQVQMNZ-UHFFFAOYSA-N 429.328 6.434 0 40 IKAB CCOc1ccc(-c2noc(CSc3ccc(-c4ccc(CC)cc4)nn3)n2)cc1OC 33022006 MZLJJCAJQGBFLM-UHFFFAOYSA-N 448.548 5.456 0 40 IKAB COc1cccc(NC(=O)c2ccc3nc(-c4cccs4)c(-c4cccs4)nc3c2)c1 33730787 GMPNNBXSKBDZRT-UHFFFAOYSA-N 443.553 6.348 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2\SC(=O)N(Cc3c(Cl)cccc3Cl)C2=O)cc1 33763972 BVDOYNBYYXKAGN-JFENUBAZSA-N 436.360 6.407 0 40 IKAB CC(C)c1cc(C(C)C)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c(C(C)C)c1 33933985 NUVRXXQACYCHBL-UHFFFAOYSA-N 446.632 5.707 0 40 IKAB COc1ccc([C@@H]2CC(c3ccc4ccccc4c3)=NN2C(=O)CN2CCCC[C@H]2C)cc1 35088447 DRLQYRAHNGPDIT-HRFSGMKKSA-N 441.575 5.401 0 40 IKAB CCCCC/C=C\C/C=C/C/C=C\C/C=C\CCCC(=O)NCCOP(=O)(O)O 38146656 PZPHIQQEQWCEGG-MLFLMRJSSA-N 427.522 5.358 0 40 IKAB CN(CCOc1ccccc1Cl)C(=O)Nc1cccc(NC(=O)c2cccs2)c1 40104504 JKIJPEREBWPTEC-UHFFFAOYSA-N 429.929 5.197 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccc3)[C@@H]2c2cccc(Br)c2)cc1 40485317 NGDFOJVPISAAEY-JOCHJYFZSA-N 434.333 5.810 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccccn3)[C@H]2c2cccc(Br)c2)cc1 40485848 IHSDTWGMHXUVCW-NRFANRHFSA-N 435.321 5.205 0 40 IKAB Cc1oc(C)c(C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)cs2)c1Br 57994436 PKCOBLOQXSWSDN-UHFFFAOYSA-N 446.153 6.342 0 40 IKAB CCn1cc(-c2nc(-c3ccc(OCc4ccccc4)cc3)no2)c(=O)c2cc(F)ccc21 64963724 YVUPVJGAPPDESD-UHFFFAOYSA-N 441.462 5.457 0 40 IKAB O=C(Nc1cccc(-c2nnco2)c1)N(Cc1ccccc1C(F)(F)F)C1CCCC1 72277758 NNVZWZZWFDQTEG-UHFFFAOYSA-N 430.430 5.732 0 40 IKAB Cc1cc(NC(=O)OC(C)(C)C)ccc1NC(=O)Nc1cc(N2CCCC2=O)ccc1F 79105000 CFUAAUREJBWFAZ-UHFFFAOYSA-N 442.491 5.252 0 40 IKAB c1ccc(C(Cc2nn3c(C45CC6CC(CC(C6)C4)C5)nnc3s2)c2ccccc2)cc1 95481702 WGCWQVPZNCYJKR-UHFFFAOYSA-N 440.616 6.028 0 40 IKAB Cc1ccc2c(CC(=O)NC[C@H]3CC[C@H](c4nnc(-c5ccncc5)o4)CC3)coc2c1C 100155836 QLKWGCCHSQFDNV-KDURUIRLSA-N 444.535 5.127 0 40 IKAB CC(=O)N1c2ccccc2N=C2CC(C)(C)CC(O)=C2[C@@H]1c1cccc(Br)c1 101100740 PCWCLNAJFGJURE-QFIPXVFZSA-N 439.353 6.262 0 40 IKAB COc1ccccc1[C@H]1c2c(ncn(Cc3ccco3)c2=N)Oc2ccc3ccccc3c21 101357882 JMQHJTVSEVSZHX-XMMPIXPASA-N 435.483 5.452 0 40 IKAB CC1(C)CC2=Nc3ccc(C(=O)c4ccccc4)cc3N[C@@H](c3ccc(F)cc3)C2=C(O)C1 102499982 FBSKFGPMNLYLJW-SANMLTNESA-N 440.518 6.928 0 40 IKAB CCc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 108200047 WMMQWYYQXWFBIF-UHFFFAOYSA-N 428.941 5.264 0 40 IKAB CC(=O)N[C@H]1C[C@@H]2[C@H](CC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)CCCC(C)C)[C@@]2(C)CCCC[C@H]12 118913893 ZVBBVQAJSUFYKD-BCJNDUEPSA-N 429.733 7.612 0 40 IKAB biogenic,in-vitro C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(Br)c2)S1 222624748 LTXHGWZFKUHNND-UAOJZALGSA-N 439.382 5.224 0 40 IKAB C[C@@H](NC(=O)c1ccc(CSc2ccc(Cl)cc2)cc1)c1ccc2c(c1)OCCO2 222655671 IODWRVPHXLOAMF-MRXNPFEDSA-N 439.964 5.895 0 40 IKAB CCOc1ccc([C@H]2[C@@H](c3ccccn3)N=C3SC[C@@H](CC)N32)cc1Br 222666248 LIZZUQIHXPNSLI-ZMYBRWDISA-N 432.387 5.222 0 40 IKAB Cc1cccc(-c2noc(CN(C)C(=O)CSCc3ccc(Cl)cc3Cl)n2)c1 222729915 HREHBIDNCAVNKI-UHFFFAOYSA-N 436.364 5.244 0 40 IKAB COc1ccc(C(=O)Nc2ccc(F)cc2F)cc1COc1ccc(C(C)(C)C)cc1 224181813 FYJOHZHHNXAOPR-UHFFFAOYSA-N 425.475 6.102 0 40 IKAB Cc1ccc(-n2cccc2[C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccccc2F)cc1 224440259 BDTRHVVDTOUEEU-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB O=C(Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1)c1ccccc1F 224537869 HNFAEGRMLGLUKI-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(Cl)ccc2O)c(C)n1C1CC1 224863223 PCTZAHKKRMXZKA-VXKWHMMOSA-N 438.984 5.371 0 40 IKAB Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cc(C)n(C3CCCC3)c2C)ccc1F 224896574 NPKGAHCGQKZQIV-DQEYMECFSA-N 448.611 6.240 0 40 IKAB CCc1ccc(NC(=O)c2ccccc2-c2ncc(-c3cccc(Br)c3)o2)cc1 224950720 RCBMULLTIUQQPZ-UHFFFAOYSA-N 447.332 6.586 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCCOc1ccc(C)cc1 225193616 JISNOACDYOZCNN-PMACEKPBSA-N 445.003 5.139 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(C)c2oc(-c3cc(Cl)c(OC)c(Cl)c3)nc2c1 226283711 ZGEHYJZPJWWNFA-UHFFFAOYSA-N 447.240 6.034 0 40 IKAB CC[C@H](C)N(C(=O)NCCCCCCNC(=O)N([C@H](C)CC)[C@H](C)CC)[C@H](C)CC 245231687 IKUIGTIMDRBBOP-YSFYHYPLSA-N 426.690 5.764 0 40 IKAB CC1(C)C(=O)OC2=C(C[C@@H]3[C@@H]4CC=C5C[C@@H](O)CC[C@]5(C)[C@@H]4CC[C@]23C)[C@@H]1c1ccccc1 253617346 SSHZMKOIMDTLHW-PMARAPJISA-N 446.631 6.541 0 40 IKAB CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)c3ccccc3F)CC2)n1 257218674 DEBJOQKBFGGOGN-KESTWPANSA-N 432.543 5.505 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 257322223 WFCJOGZGQRLQQN-DENIHFKCSA-N 431.983 5.522 0 40 IKAB Oc1nc(CSc2nc(-c3ccc(Cl)cc3)cc(C(F)(F)F)n2)nc2ccccc12 408582402 NUJPPUALKCMMJW-UHFFFAOYSA-N 448.857 5.757 0 40 IKAB CC(C)(c1ccccc1)c1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(Cl)cc3)C2)cc1 408673463 WWPIEQRGRSPHAV-SFHVURJKSA-N 433.935 5.624 0 40 IKAB CCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)cc1 409027363 BDOGJIQUPSPUBX-UHFFFAOYSA-N 442.968 5.045 0 40 IKAB COc1cc2c(cc1C)-c1nc(NC(=O)c3ccccc3Br)sc1CC2 409051964 DZANLANZHUCJDC-UHFFFAOYSA-N 429.339 5.241 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(C)cc(C)cc2C)c2ccccc2C)cc1 409113820 FUYGXHGOVSFNFX-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2cccc3ccccc23)c(C)c1 409117109 NKXWPIOHXYRBPM-UHFFFAOYSA-N 446.388 7.410 0 40 IKAB COc1cc(CNc2ccc(C)cc2C)ccc1OCC(=O)Nc1ccc(C)c(Cl)c1 409258664 YOKCZBRJKDCZMO-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCn1c(CSCc2ccc(C)cc2)nnc1SCC(=O)Nc1cccc(C)c1C 409358926 HWJHTTYVNLSYTP-UHFFFAOYSA-N 440.638 5.387 0 40 IKAB Cc1cc(NC(=O)[C@]23CC[C@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)no1 703808 YGJBUOIHEQKSNE-RTWAWAEBSA-N 431.323 5.201 0 40 IKAB Cc1cccc(C)c1NC(=O)CSc1nnc(-c2cccnc2)n1-c1ccc(Cl)cc1 796437 VEPLLKPEQQMYQV-UHFFFAOYSA-N 449.967 5.330 0 40 IKAB CS(=O)(=O)N(Cc1ccc(C(=O)Nc2cccc3ccccc23)cc1)c1ccccc1 835118 GWQQMACAFKOCTN-UHFFFAOYSA-N 430.529 5.058 0 40 IKAB Cc1cccc(C)c1NCc1nnc(SCC(=O)Nc2ccccc2)n1-c1ccccc1 877805 LGUNEKVZRJOPOS-UHFFFAOYSA-N 443.576 5.227 0 40 IKAB COc1ccc(-c2nc3cc(C)ccc3o2)cc1NC(=O)c1cc(Cl)ccc1Cl 888121 WHRVFVBXEYEBLI-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CC(C)(C)c1ccccc1NC(=O)CSc1nc(-c2ccco2)cc(C(F)(F)F)n1 902085 SPWBWOFIJWIZSO-UHFFFAOYSA-N 435.471 5.784 0 40 IKAB Cc1c(-c2ccccc2)nc2c(C)cc(Br)cc2c1C(=O)NC[C@@H]1CCCO1 993392 NTDXPIZKXJAMKF-SFHVURJKSA-N 439.353 5.190 0 40 IKAB COc1ccccc1NC(=O)N(Cc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O 1378383 PYOJVLDIXCXNNM-UHFFFAOYSA-N 441.531 5.388 0 40 IKAB COc1ccc(-c2nc3cc(NC(=O)COc4cc(C)ccc4C(C)C)ccc3o2)cc1 1413898 DRNGNHZMWPDLSG-UHFFFAOYSA-N 430.504 5.953 0 40 IKAB COC(=O)c1ccc(Oc2coc3cc(OCc4cccc(Cl)c4)ccc3c2=O)cc1 1447881 VBYFBEIZHSTNNB-UHFFFAOYSA-N 436.847 5.604 0 40 IKAB biogenic CCOc1ccc(CN(C(=O)Nc2ccc(Cl)cc2)c2nnc3n2CCCCC3)cc1 1468168 JZUDXWRIWOFMAP-UHFFFAOYSA-N 439.947 5.295 0 40 IKAB COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3c(C)cc(Br)cc23)cc1 2079561 XPZKBECDQOGNIJ-UHFFFAOYSA-N 447.332 6.234 0 40 IKAB COc1ccc2c(-c3cc4ccc(OCc5cccc(F)c5)cc4oc3=O)cc(=O)oc2c1 2219713 HWSVASQRHMHHFI-UHFFFAOYSA-N 444.414 5.293 0 40 IKAB CSc1nc2n(n1)[C@H](c1ccc(F)cc1)C1=C(N2)c2ccccc2O[C@H]1c1cccs1 2257250 MGOLEUARBKVJGG-RTWAWAEBSA-N 448.548 5.761 0 40 IKAB CCOC(=O)c1c(NC(=S)Nc2ccc(OC)cc2)sc2c1CC[C@@H](C(C)(C)C)C2 2283122 NMRLHRPHQLTQTC-CQSZACIVSA-N 446.638 5.893 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@@H](Nc2ccccn2)c2ccc(F)cc2)c1C 2546427 DOWPCTVVLPTYDE-QHCPKHFHSA-N 431.536 6.353 0 40 IKAB O=C(CSCC(=O)NC(c1ccccc1)c1ccccc1)Nc1ccc2ccccc2c1 3059024 SQLVVZPDAQYSST-UHFFFAOYSA-N 440.568 5.417 0 40 IKAB O=C(N[C@H](Nc1ccc(Br)cc1)C(Cl)(Cl)Cl)c1ccc(F)cc1 3111580 SQFNCEKTEKNPCN-AWEZNQCLSA-N 440.527 5.126 0 40 IKAB Cc1cccc(Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)c1C 3247769 UKFHVNHEJDWDOZ-UHFFFAOYSA-N 438.500 5.648 0 40 IKAB Cc1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1Cc1ccccc1 3291879 GFTWEMMSSPQJTN-UHFFFAOYSA-N 444.585 5.556 0 40 IKAB COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc3ccccc3c2)ccc1C 3408012 WYLJKOMVVMFPAT-UHFFFAOYSA-N 446.528 5.210 0 40 IKAB C[C@@H]1CCc2c(sc3nc(CSc4ccc(Br)cc4)nc(Cl)c23)C1 3886948 YWSZVLSMCGALIJ-SNVBAGLBSA-N 439.831 6.524 0 40 IKAB CCCc1cc(=O)oc2c(C)c(OC(=O)CCCCCNC(=O)OC(C)(C)C)ccc12 4045379 HXDGGBNSABOFEJ-UHFFFAOYSA-N 431.529 5.044 0 40 IKAB biogenic COc1ccc([C@H]2N[C@H](c3ccc(OC)cc3)[C@@H](C)C(O)(Cc3ccccc3)[C@H]2C)cc1 4144009 BTUTYNXWDXRDAN-MYTQDWNLSA-N 431.576 5.335 0 40 IKAB C[C@@H](CCC(=O)O)[C@H]1CC[C@@H]2[C@H]3[C@H](C(=O)O)C[C@@H]4C[C@H](C(=O)O)CC[C@]4(C)[C@@H]3CC[C@]12C 4293106 XFIVUTDYPVXBJS-HKYAXFNFSA-N 448.600 5.158 0 40 IKAB COc1cccc(C(=O)c2sc3nc(-c4cccs4)cc(-c4ccccc4)c3c2N)c1 8451208 CCYUVBSYLHBQRR-UHFFFAOYSA-N 442.565 6.514 0 40 IKAB O=C(c1ccccc1)N1c2ccccc2N=C(c2ccc(Cl)cc2)C[C@H]1c1ccccc1 8451917 QJZWFJMXJOCATO-MHZLTWQESA-N 436.942 7.253 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1C[S@](=O)c1ccc(Cl)cc1 8677823 WTENPTCMVROIBQ-MUUNZHRXSA-N 429.324 6.278 0 40 IKAB Cc1ccc(OCCCn2c([C@@H]3CC(=O)N(Cc4ccccc4)C3)nc3ccccc32)cc1 8753327 BCJHMSRUXGQCJK-HSZRJFAPSA-N 439.559 5.330 0 40 IKAB Clc1ccc(CSc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 8873877 RNFROMFEWXZRIE-UHFFFAOYSA-N 447.456 7.247 0 40 IKAB CCOC(=O)c1ccoc1CSc1nnc(-c2ccccc2Cl)n1C1CCCC1 8988914 JLGJRLSOMIEWHG-UHFFFAOYSA-N 431.945 5.776 0 40 IKAB COc1ccc([C@H]2[C@@H]3CCCC[C@]3(O)CCN2CC(=O)Nc2cccc3ccccc23)cc1 9087755 KYVWHOUGNSMFTK-WIRXVTQYSA-N 444.575 5.155 0 40 IKAB COc1ccccc1C(=O)Nc1c(-c2nc3ccccc3[nH]2)c(C)c(C)n1C[C@H]1CCCO1 9130127 JHMSBSMPRKYTOI-GOSISDBHSA-N 444.535 5.088 0 40 IKAB O=C(CSc1nnc(Nc2ccccc2)s1)N[C@@H](c1ccccc1)c1cccs1 9205135 BANMWEVLICVCJQ-IBGZPJMESA-N 438.603 5.341 0 40 IKAB O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N1CCC(c2ccccc2)=N1 9514612 XELWFWMVXJPWGH-UHFFFAOYSA-N 442.519 5.165 0 40 IKAB Clc1ccc(-c2noc(CCCSc3nnc(C4CC4)n3-c3ccccc3)n2)cc1 9596589 SVFIUROIYPOOFK-UHFFFAOYSA-N 437.956 5.573 0 40 IKAB CCOc1ccccc1Nc1nnc(SCc2cc(=O)oc3cc(OC)ccc23)s1 9725348 DMRVNNDPPUJHBL-UHFFFAOYSA-N 441.534 5.088 0 40 IKAB Cc1ccc(C)c(OCCn2cc(C(=O)C(F)(F)F)c3cc(Br)ccc32)c1 9805877 UKHDLKVVQKPJSR-UHFFFAOYSA-N 440.259 5.845 0 40 IKAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2oc(Cc3ccccc3)nc2c1 10120141 HIMUPCFHOWTOQE-CQSZACIVSA-N 441.314 6.131 0 40 IKAB COc1cccc(-c2cn3c(C(=O)Nc4ccc(OC(F)(F)F)cc4)csc3n2)c1 11902291 ZCAKHTBBLQDRMB-UHFFFAOYSA-N 433.411 5.222 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)CCNc3cccc(Cl)c3)cc2)cc1 12461864 WAJHOHHMMBTRDU-UHFFFAOYSA-N 428.941 5.134 0 40 IKAB CCCCCCOc1ccc(C(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cc1OC 12528387 WBMANSYYJGJMOY-UHFFFAOYSA-N 425.554 5.755 0 40 IKAB CCN1/C(=C/C(=O)Nc2ccc(Cl)c(Cl)c2)C(C)(C)c2c1ccc1ccccc21 12563179 KRZWNWJTRHQEBX-KGENOOAVSA-N 425.359 6.787 0 40 IKAB COc1ccc(CCC2CCN([C@H](C)C(=O)Nc3ccccc3C(F)(F)F)CC2)cc1 12745541 FOMWAYZJPFJMOI-QGZVFWFLSA-N 434.502 5.386 0 40 IKAB C[C@@H]1c2ccsc2CCN1Cc1nc(=O)c2sc(-c3ccc(Cl)cc3)cc2[nH]1 12811135 QTTPWWJIAHPULC-GFCCVEGCSA-N 427.982 5.486 0 40 IKAB Cc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)Nc4cccc(Cl)c4C)c3N2)cc1 12847127 IIAIGXQNFMCHGE-OALUTQOASA-N 448.876 6.066 0 40 IKAB Cc1ccc(-c2nc(CN3C(=O)NC(c4ccccc4)(c4ccccc4)C3=O)cs2)cc1 13109970 PQHXRQCMGGQUJB-UHFFFAOYSA-N 439.540 5.114 0 40 IKAB Cc1nnc(SCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1C1CCCCC1 13121045 GRFXYECMODLERE-NRFANRHFSA-N 444.601 5.290 0 40 IKAB Cc1sc(NC(=O)[C@@H](Cc2ccccc2)NC(=O)c2ccccc2)nc1-c1ccccc1 13129449 FBLWDLCVSRCOPL-JOCHJYFZSA-N 441.556 5.098 0 40 IKAB Cc1cc(CSc2ncccc2C(=O)NCc2ccc(Oc3ccc(F)cc3)cc2)no1 13164477 NRZGXPJESCTEPP-UHFFFAOYSA-N 449.507 5.532 0 40 IKAB CCc1cccc(C)c1NC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 13551959 UDXNANYSAOVFQX-UHFFFAOYSA-N 427.500 5.657 0 40 IKAB Cc1sc(NC2CCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F 13564916 ROMXUWDGHGNCHE-UHFFFAOYSA-N 435.568 6.205 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)NCCSCc3ccccc3F)cc2)cc1 13612606 QKDBRKOUAWFFHZ-UHFFFAOYSA-N 425.594 6.090 0 40 IKAB O=C(NC(c1ccccc1)c1ccccc1)c1ccc(OCc2ccccc2Cl)cc1 13687845 QGCAHCTYYJXIKD-UHFFFAOYSA-N 427.931 6.438 0 40 IKAB COc1ccc(N(Cc2cc3cc(C)ccc3[nH]c2=O)C(=O)c2ccccc2Cl)cc1 13689291 NERHSBRLOLZQSB-UHFFFAOYSA-N 432.907 5.346 0 40 IKAB COc1c(OC)c(-c2c[nH]c3ccc(O)cc23)c(OC)c(OC)c1-c1c[nH]c2ccccc12 14650139 QJQIGLORIRGXRI-UHFFFAOYSA-N 444.487 5.723 0 40 IKAB biogenic O=C(c1cccs1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1 14819598 BGVBOCPOJDGJEL-HNNXBMFYSA-N 449.395 5.460 0 40 IKAB CC(=O)Nc1ccc(NC(=O)COc2ccc(CC(C)(C)C)cc2CC(C)(C)C)cc1O 16321397 GYUDAKPEEFMOSO-UHFFFAOYSA-N 440.584 5.545 0 40 IKAB Clc1ccc(CSCCCSCc2ccc(Cl)cc2Cl)c(Cl)c1 16385035 LBMSTNYNYRSARY-UHFFFAOYSA-N 426.261 7.857 0 40 IKAB CCOc1ccc(C(=O)NC(=S)Nc2nc3ccc(Cl)cc3s2)cc1Cl 16692384 GMZJZFZFIPEGHW-UHFFFAOYSA-N 426.350 5.129 0 40 IKAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)c2cccc(OCC(C)C)c2)cc1 17097987 OAWZZDSQEYPCIT-UHFFFAOYSA-N 432.520 5.140 0 40 IKAB CCN1CCc2c(sc(NC(=O)COc3ccccc3)c2-c2nc3ccccc3s2)C1 17288775 GBHHXKRFQRHGFO-UHFFFAOYSA-N 449.601 5.420 0 40 IKAB C/C(=C\c1ccccc1)CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 19014361 QTXZMLCHLXHCIW-GGGSOPIKSA-N 439.603 5.297 0 40 IKAB O=C(NC[C@H]1CCC[C@H](CNC(=O)Nc2ccc(S)cc2)C1)Nc1ccc(S)cc1 19075402 SGFHTTZZHYPKPT-HOTGVXAUSA-N 444.626 5.014 0 40 IKAB Cc1ccc2nc([C@H]3CCCN3C(=O)CCc3c(C)nn(Cc4ccccc4)c3C)[nH]c2c1 19221522 GDBAMEXKACHDBH-RUZDIDTESA-N 441.579 5.029 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=S)NC(=O)c4cccc(F)c4)cc3)nc2c1 19646193 NCTGNLAWDKZSAW-HNNXBMFYSA-N 447.535 6.274 0 40 IKAB Cc1cc(Cc2ccc(C(F)(F)F)cc2)cc([C@@H]2CCCN2Cc2cnn(C)c2C)n1 19690876 JPVDFYCOJYINLB-QHCPKHFHSA-N 428.502 5.379 0 40 IKAB CC(=O)Nc1cccc(NC(=O)CSc2ncnc3sc(-c4ccccc4)cc23)c1 20888625 FSTYUXSPYFBMMB-UHFFFAOYSA-N 434.546 5.048 0 40 IKAB COc1ccc([C@@H](CNC(=O)COc2cccc(Cl)c2)c2c[nH]c3ccccc23)cc1 27746189 BEERUPJYOJOEBJ-JOCHJYFZSA-N 434.923 5.157 0 40 IKAB CCc1cccc2c(C(=O)[C@H](Sc3nnc(-c4ccc[nH]4)o3)c3ccccc3)c[nH]c12 28131176 SLOBCHBRRKDCTJ-JOCHJYFZSA-N 428.517 5.825 0 40 IKAB Cc1cc(C)c2nc3c(c([C@H](O)[C@@H]4CCCCN4)c2c1)CC/C3=C/c1ccc(Cl)cc1 31761060 RBWRXGUYQAVWHA-UTQIKEKOSA-N 432.995 6.167 0 40 IKAB in-vitro COc1cc2sc(NC(=O)c3sc4cc(Cl)ccc4c3Cl)nc2cc1Cl 32127138 AHXCIXJQRIRPPP-UHFFFAOYSA-N 443.764 6.732 0 40 IKAB CCc1ccc(-c2nc(CN(C)CC(=O)Nc3c(Cl)cccc3Cl)cs2)cc1 32718904 CKPYRRMJKQXGNK-UHFFFAOYSA-N 434.392 5.750 0 40 IKAB CC[C@H](CNC(=O)[C@H](C)Sc1nnc(Nc2cccc(OC)c2)s1)c1ccccc1 32736585 GPQZWIPBQXEOOR-JKSUJKDBSA-N 442.610 5.081 0 40 IKAB O=C(O[C@@H]1CCCCC1=O)c1c2c(nc3ccccc13)/C(=C\c1ccc3c(c1)OCO3)CC2 33659920 DEHZCYYVAQTCHX-DAKPFUFHSA-N 441.483 5.119 0 40 IKAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cc(-c3cccc4ccccc34)[nH]n2)CC1 57413430 NZMHWNSIOAODBP-UHFFFAOYSA-N 430.939 5.154 0 40 IKAB COc1cc([C@@H](C)NC(=O)c2ccc(OC(F)(F)F)cc2)ccc1OCc1ccncc1 59316172 RUOZPRWFDMXNSU-OAHLLOKOSA-N 446.425 5.059 0 40 IKAB C=Cc1ccc(CSc2nc3ccsc3c(=O)n2Cc2ccc3c(c2)OCO3)cc1 71327605 KPTFYHXIJYVHOP-UHFFFAOYSA-N 434.542 5.170 0 40 IKAB CC(C)(O)c1ccccc1C/C=C/c1cccc(/C=C/c2ccc3ccc(Cl)cc3n2)c1 71973187 DLLVZUPJFUZKDX-VXFWDVHGSA-N 439.986 7.542 0 40 IKAB in-vitro Cc1cccc(-c2nc3cc(F)ccc3n2C(C)C)c1NC(=O)c1cccc(N(C)C)c1 84224961 FKZPOJDOBSOHLB-UHFFFAOYSA-N 430.527 6.050 0 40 IKAB C[C@@H]1CCCN(CC(=O)N2N=C3/C(=C\c4cccs4)CCC[C@H]3[C@H]2c2cccs2)C1 97993241 MZIWRSXHNVMYEY-IIJPFKEISA-N 439.650 5.665 0 40 IKAB Cc1cc(NS(=O)(=O)c2ccc(Br)c(C(F)(F)F)c2)ccc1Cl 98072942 AYMGZWNMQKULSB-UHFFFAOYSA-N 428.657 5.231 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@H](C)C[C@@H]4C3=O)c2)cc1 100397799 LDFZKOYCRHBCOW-RTFZILSDSA-N 433.548 5.519 0 40 IKAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccco1)CC2 100571884 FXSYYMGBMPXVBO-YBVLARHOSA-N 444.531 5.166 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1ccc(C)c(Cl)c1 101190098 WFXHRGNUDGXTEE-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB Cc1ccc2nc(-c3ccc(N4C(=O)C[C@@H](Sc5cccc(N)c5)C4=O)cc3)sc2c1 113561194 BMQRINYPUMNQKW-OAQYLSRUSA-N 445.569 5.278 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 222976275 HQMSDXUASKQMBJ-INIZCTEOSA-N 435.395 5.176 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(C)cc1 223703188 CMJLFTANKSMGGL-HSZRJFAPSA-N 426.626 5.119 0 40 IKAB Oc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(F)cc3)o2)cc1 223872392 SBALEFZNZKORSW-XZOQPEGZSA-N 431.492 5.363 0 40 IKAB Cc1cc(C(=O)Nc2ccccc2C(C)C)ccc1NS(=O)(=O)c1ccc(Cl)cc1 224006294 OTJADEUZWWEZKW-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cc(C)n(C3CCCC3)c2C)cc1 224200087 ZEHDTRFPTBKKHX-JWQCQUIFSA-N 430.621 6.101 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2cccc(F)c2)cc1 224211116 YWCXOCITKIBJBT-ZEQRLZLVSA-N 428.536 5.497 0 40 IKAB Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3ccc(C)c(C)c3)c(Cl)c2)cc1 224239137 GVDYBNUYVAVRQA-UHFFFAOYSA-N 442.968 5.343 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2)c(Cl)c1 224409995 MMDHZPQCERQPPO-KRWDZBQOSA-N 437.005 5.395 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3cccn3C)cc2)cc1 224711786 PDXBXCOCGFKZHM-LOSJGSFVSA-N 440.572 5.698 0 40 IKAB O=C(NCc1cccc(C(F)(F)F)c1)C1CCN(Cc2ccc(Cl)c(Cl)c2)CC1 224962249 BXJLJCUTEONYSH-UHFFFAOYSA-N 445.312 5.541 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 225051440 LBENKSXWOSFLIC-DLBZAZTESA-N 435.395 5.176 0 40 IKAB COc1ccc2c(c1)CCC[C@H]2NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(C)cc1 225170699 PYGXMDBZIUOYQK-KDYMBEQYSA-N 446.572 5.030 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CSCc1ccc(Cl)cc1 225459912 GPOUUXWNQYPBQR-PGRDOPGGSA-N 447.044 5.295 0 40 IKAB COc1ccc(C2(C(=O)Nc3cc(C)c(OCc4ccccc4)c(C)c3)CCCCC2)cc1 225560385 KWTIYZSISUDYJI-UHFFFAOYSA-N 443.587 6.732 0 40 IKAB O=C(Cc1cccc(Br)c1)NCCSCc1c(Cl)cccc1Cl 225614470 LLBBFYGQNAEHSG-UHFFFAOYSA-N 433.198 5.348 0 40 IKAB C[C@@H](NC(=S)Nc1nc(Oc2ccccc2)cc(N2CCCCC2)n1)c1ccccc1 225958341 JAWXHXYXUYUJOH-GOSISDBHSA-N 433.581 5.307 0 40 IKAB COc1ccc(-c2cc(C)nc([C@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)c2)cc1 257300348 RTYMVROALCDSNW-NRFANRHFSA-N 439.559 5.496 0 40 IKAB CC(C)CCC[C@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C(C(=O)O)[C@](C)(CCC(=O)O)[C@H]3CC[C@@]12C 257349703 QJUQBYMZJRWYDP-GTWIBPQMSA-N 432.645 6.793 0 40 IKAB CC1=CC[C@H]2C(=O)N(c3ccccc3C(=O)Nc3ccc(Cl)cc3Cl)C(=O)[C@H]2C1 408689946 ZUQPAIKNWXTIQT-ZBFHGGJFSA-N 429.303 5.091 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(Cl)c2)c(C)c1 408697990 KTDRCFWXRUJJAC-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 408698399 NJNPAHGGORGLBX-UHFFFAOYSA-N 427.266 5.633 0 40 IKAB CC(C)Oc1ccc(/C=C2\S[C](Nc3ccccc3)N([C@H]3CCCC[C@@H]3C)C2=O)cc1 408808459 PRBAULBVVWUXCM-RBHHSZPYSA-N 435.613 6.528 0 40 IKAB CCc1cccc(C)c1NC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccccc1 409120693 RXLLEVQCMIENDK-UHFFFAOYSA-N 436.577 5.008 0 40 IKAB COc1ccc(Cl)cc1-c1ccc(/C=C2/SC(=O)N(Cc3ccccc3F)C2=O)o1 409174361 TUUUAKOEJILMLB-RGVLZGJSSA-N 443.883 5.984 0 40 IKAB Cc1cccc(NC(=O)COc2c(Cl)cc(CNc3ccc(C)c(C)c3)cc2Cl)c1 409262540 HTNXQAOGDADASR-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB COc1cc(CNc2ccccc2)cc(Br)c1OCC(=O)Nc1ccccc1 409264370 FFLXBKJWJINREA-UHFFFAOYSA-N 441.325 5.087 0 40 IKAB CCc1c(C(=O)Nc2nnc(-c3ccc(Cl)cc3F)s2)oc2cc(C)c(C)cc12 526052245 JAHSOVYJNGLLAX-UHFFFAOYSA-N 429.904 6.175 0 40 IKAB CC[C@@H](C(=O)N1CCCCN(C)C(=O)c2ccccc2O[C@H]2CCCC[C@H]21)c1ccccc1 643561869 CNANFUHNEQEZRH-NOOIUNMQSA-N 448.607 5.265 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3ccccc23)nc1C 672838 HXBKAVQJAKHPIF-UHFFFAOYSA-N 445.544 5.658 0 40 IKAB O=C(CCSc1ncnc2sc3c(c12)CCCC3)Nc1cccc(C(F)(F)F)c1 942216 QFGYSBZJPBNLMC-UHFFFAOYSA-N 437.512 5.710 0 40 IKAB O=C(COC(=O)c1ccc(Cl)cc1Cl)c1ccc(NC(=O)c2ccccc2)cc1 1433636 BHKQWRWPMLHCRG-UHFFFAOYSA-N 428.271 5.285 0 40 IKAB CCOC(=O)c1ccc(Oc2coc3cc(OC(=O)c4ccccc4F)ccc3c2=O)cc1 1448098 SZCCUUPUMOUBRI-UHFFFAOYSA-N 448.402 5.120 0 40 IKAB biogenic COc1ccc(CN(CC[C@H](c2ccc(OC(C)C)cc2)C(C)C)C(=O)c2ccco2)cc1 1786514 VDQZIOAWNGAYTO-SANMLTNESA-N 449.591 6.548 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)c1ccc(C)cc1C 1850228 LRCNLBSIVHXWNB-UHFFFAOYSA-N 447.585 5.716 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1ccc(Cl)cc1 1927620 VOABRXUNCHAGRF-UHFFFAOYSA-N 449.956 6.115 0 40 IKAB Cc1nc(Oc2ccc(Cl)cc2)c(C(=O)NCc2ccc(Cl)cc2)c(C)c1Cl 2054180 KPYRSSAURXLFAQ-UHFFFAOYSA-N 435.738 6.381 0 40 IKAB O=C(/C=C/c1ccc(-c2ccccc2)o1)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 2213989 AMPYCABGZAAAKF-SDNWHVSQSA-N 444.512 5.225 0 40 IKAB CSc1nc2n(n1)[C@H](c1cccs1)C1=C(N2)c2ccccc2O[C@@H]1c1ccc(C)cc1 2247815 MJSKBPDWCJQFAD-FGZHOGPDSA-N 444.585 5.930 0 40 IKAB C[C@@H](Sc1nnc(NC2CCCCC2)s1)C(=O)Nc1cccc(C(F)(F)F)c1 2617243 YKLVLJSOMIIJLE-LLVKDONJSA-N 430.521 5.421 0 40 IKAB C[C@H](Sc1nnc(-c2ccco2)n1Cc1ccccc1)C(=O)NCCC1=CCCCC1 2624366 UVCOALFIEDNCHY-SFHVURJKSA-N 436.581 5.074 0 40 IKAB O=P1(NNC(=S)NCc2ccccc2)C=C(c2ccccc2)OC(c2ccccc2)=C1 3205838 VCZOCVKFVBSOTO-UHFFFAOYSA-N 447.500 5.461 0 40 IKAB COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1ccccc1Oc1ccccc1 3235911 LMRVXLWRIXSSMV-UHFFFAOYSA-N 447.487 6.385 0 40 IKAB C[C@H](NC(=O)c1ccccc1NC(=O)Cc1coc2ccc3ccccc3c12)c1ccccc1 3326859 SLXNFSBSDWWSMQ-IBGZPJMESA-N 448.522 6.258 0 40 IKAB COCCCn1c(SCC(=O)c2ccc(Cl)s2)nnc1-c1ccc(Cl)cc1 3412668 LMMWHCWURUCGDT-UHFFFAOYSA-N 442.393 5.325 0 40 IKAB CCN(CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(F)cc2s1 4359450 OUFLBNNTIFQHJU-UHFFFAOYSA-N 425.573 5.303 0 40 IKAB CC(C)Oc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(C(C)C)cc2)cc1 4897689 GCUNXFHHCXMPOA-XTEPFMGCSA-N 426.560 6.840 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)NCCc3ccccc3)cc2c1 6408461 FTPYBCGTUISJJP-UHFFFAOYSA-N 447.629 5.017 0 40 IKAB CCCc1nc2ccc(NC(=O)c3ccccc3F)cc2c(=O)n1Cc1ccccc1Cl 6511001 LPGQPMUYIQWMIT-UHFFFAOYSA-N 449.913 5.442 0 40 IKAB CCn1c(-c2ccc(C3CCCCC3)cc2)cs/c1=N\c1ccc(Br)cc1 8425711 MEGZDPLOEKFBDF-BZZOAKBMSA-N 441.438 7.279 0 40 IKAB CC(C)(C)c1ccc(Cn2c([C@H]3CC(=O)N(c4ccccc4F)C3)nc3ccccc32)cc1 8753253 IZINBGRQXPCJHB-FQEVSTJZSA-N 441.550 6.042 0 40 IKAB CCCCN1C(=O)S/C(=C\c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)C1=O 8821676 JYADYPYVCQUONB-STZFKDTASA-N 445.968 6.154 0 40 IKAB O=C(Nc1cccc(-c2nnc3n2CCCCC3)c1)c1ccccc1SC[C@@H]1CCCO1 8897965 CNXZKENEHZZRKV-FQEVSTJZSA-N 448.592 5.195 0 40 IKAB Cc1ccc(C)c(CN2C(=O)[C@](O)(CC(=O)c3cccc4ccccc34)c3ccccc32)c1 8927856 OKFYJVXEHXIOSJ-LJAQVGFWSA-N 435.523 5.464 0 40 IKAB COC(=O)c1ccc(CSc2nnc(-c3ccc(Cl)cc3)n2Cc2ccccc2)o1 9030045 JKWQWOOWNBKSPP-UHFFFAOYSA-N 439.924 5.319 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2ccccc2F)cc1OC 9158460 GPWQYIAEUMUSGJ-HYBUGGRVSA-N 438.886 5.739 0 40 IKAB O=C(CSCc1ccccc1)Nc1nnc(SCc2c(F)cccc2Cl)s1 9391021 XBJQKEWWOUAMGE-UHFFFAOYSA-N 439.990 5.495 0 40 IKAB O=c1c2ccccc2nc(-c2ccc(Cl)cc2)n1CCCOc1cccc(Cl)c1 9438732 RSTWZGILZFMIBV-UHFFFAOYSA-N 425.315 5.839 0 40 IKAB COc1cc(C(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)ccc1OCc1c(C)noc1C 9630924 NVVOAVWQZRYJFN-BALBBAFXSA-N 438.568 5.214 0 40 IKAB COc1ccccc1Nc1ncc(C(=O)NCCc2ccc(Cl)cc2)c2ccccc12 9776689 QJCUZLGKLFSPFK-UHFFFAOYSA-N 431.923 5.613 0 40 IKAB C[C@@H]1C[C@@H](N(c2ccccc2)S(=O)(=O)c2ccccc2)c2ccccc2N1C(=O)C1CC1 10153194 CGPQVZXQDGBFMK-KBMIEXCESA-N 446.572 5.158 0 40 IKAB Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2)ccc1NS(=O)(=O)c1ccccc1 10367699 DIDXYYPGCIAFPO-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB CCCCCCOc1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccccc4)=NN32)cc1 12192232 NDKACQGBXQYWOY-IXCJQBJRSA-N 426.560 6.888 0 40 IKAB Cc1ccnc(NC(=S)N=P(N2CCCCCC2)(N2CCCCCC2)C(C)(C)C)c1 12524514 JVJGKSSVQHZLAH-UHFFFAOYSA-N 449.649 6.669 0 40 IKAB Cc1ccccc1CCN(C(=O)c1ccco1)[C@H](C(=O)NC1CCCC1)c1ccccc1 13026942 KZKOBOJGUXKFBN-VWLOTQADSA-N 430.548 5.073 0 40 IKAB CCOC(=O)c1c(-c2ccc(C)o2)csc1NC(=O)CSc1nc2ccccc2o1 13057873 JXUAUNXRECSZJE-UHFFFAOYSA-N 442.518 5.365 0 40 IKAB COCCCn1c(S[C@H](C)C(=O)c2ccc(OC)cc2)nnc1-c1ccc(Cl)cc1 13114625 UOSOBZAVOXENPJ-OAHLLOKOSA-N 445.972 5.007 0 40 IKAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)c1ccccc1SCc1ccccc1 13608710 WJJVTFPZQHTMOB-UHFFFAOYSA-N 437.517 5.035 0 40 IKAB COc1ccccc1[C@H]1Oc2ccc(Cl)cc2[C@H]2CC(c3ccc4c(c3)OCO4)=NN21 13758233 JEQQFEUEUJJGBJ-NTKDMRAZSA-N 434.879 5.320 0 40 IKAB O=C(CSc1nc2c(c(C(F)(F)F)n1)CCCC2)Nc1cccc(C(F)(F)F)c1 14137198 KVMXINZAWUETGP-UHFFFAOYSA-N 435.393 5.124 0 40 IKAB S=c1n(CN2CCc3sccc3[C@H]2c2ccccc2)nc(-c2ccncc2)n1C1CC1 14241316 WOXOHISIKMRZLQ-JOCHJYFZSA-N 445.617 5.478 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c1Cl 14273106 ZMGHELAZQHBUCY-UHFFFAOYSA-N 443.758 5.876 0 40 IKAB CCCOc1ccc2c(c1)sc1ncc(NC(=O)c3ccc(C(C)(C)C)cc3)c(=O)n12 14291539 SWLYXNGAQOHHRA-UHFFFAOYSA-N 435.549 5.248 0 40 IKAB COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)Cc2cccs2)cc1OC 14608037 IJVFIZKKGRLDBZ-QHCPKHFHSA-N 433.533 5.044 0 40 IKAB COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)COc2c(C)cccc2C)cc1 18209290 OPQZCYMGRXRPPF-UHFFFAOYSA-N 429.472 5.307 0 40 IKAB CNc1cc([C@H](Cc2c[nH]c3ccccc23)NC(=O)c2ccc(C)c(F)c2)nc(C2CC2)n1 19214469 ZGTFRBSUCZCDMF-QFIPXVFZSA-N 443.526 5.038 0 40 IKAB Cc1cc(Cc2ccc(F)cc2)cc([C@H]2CCCN2C(=O)CCCN2CCCCCC2)n1 19687007 YHAUMLNGQYLIQR-AREMUKBSSA-N 437.603 5.440 0 40 IKAB Cc1nc([C@@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 19696401 XVBCYNCIZFGILF-QHCPKHFHSA-N 436.575 5.263 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1cc(S(=O)(=O)N2CCC(C)CC2)ccc1Cl 20062711 JBSXKBSUHPVEBX-UHFFFAOYSA-N 449.016 5.445 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 20611296 AZFQFWKCNKWHSL-QGZVFWFLSA-N 430.508 5.167 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 20767114 QCDPNJVDNLEKLE-UHFFFAOYSA-N 440.952 5.042 0 40 IKAB CCOc1cc(NC(=O)[C@@H](CC)c2ccccc2)c(OCC)cc1NC(=O)c1ccccc1 20886023 LNRUQPIRFFDIMQ-NRFANRHFSA-N 446.547 5.869 0 40 IKAB CC[C@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22515673 NXEAJEZJPBZWOT-VWLOTQADSA-N 448.994 5.431 0 40 IKAB Cc1cc(N2CCN(C)CC2)ccc1NC(=O)CSC(c1ccccc1)c1ccccc1 26568394 VMYTURBQTYTQEZ-UHFFFAOYSA-N 445.632 5.208 0 40 IKAB O=C(COc1ccc(F)cc1)Nc1nc(-c2ccccc2)c(NC(=O)c2ccccc2)s1 35671762 KLNWVNYWZJOJDT-UHFFFAOYSA-N 447.491 5.219 0 40 IKAB Fc1cccc(-n2nc(-c3cccc(OC(F)F)c3)cc2-c2cccc(OC(F)F)c2)c1 36611269 NWXIBIIFCLCYHZ-UHFFFAOYSA-N 446.375 6.548 0 40 IKAB O=C(NCC1CCN(C(=O)c2cc3ccccc3o2)CC1)c1cc(Cl)ccc1Cl 43990368 BQELZRSPQFDVJK-UHFFFAOYSA-N 431.319 5.022 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1ccc(Cl)c(Cl)c1 57317007 PRILMYALRNUAJY-UHFFFAOYSA-N 425.109 5.946 0 40 IKAB Cc1cc(C)c(C(=O)CSc2ccc(-c3ccc(Br)cc3)nn2)c(C)c1 67206949 ZVTNCUPVRSRDAY-UHFFFAOYSA-N 427.367 5.806 0 40 IKAB O=c1c2oc3ccccc3c2nc(SCc2ccccc2)n1Cc1ccc2c(c1)OCO2 67259789 MZFFPAKNWZNEAO-UHFFFAOYSA-N 442.496 5.212 0 40 IKAB O=C1CCN(C(=O)c2csc(Br)c2)c2ccccc2N1Cc1ccccc1 78868997 NECTZJBPXBJHHU-UHFFFAOYSA-N 441.350 5.094 0 40 IKAB Clc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4Cl)cc3)n3ncnc3N2)cc1 101402680 RUAXQGASXFYRHZ-HSZRJFAPSA-N 449.341 6.220 0 40 IKAB C[C@H](NC(=O)c1cc(-c2ccco2)nc2onc(-c3ccccc3)c12)[C@@H]1C[C@H]2CC[C@H]1C2 103159526 ZEEBCJUOMAGHTR-CAMMJAKZSA-N 427.504 5.704 0 40 IKAB O=C(Cn1cc(C(=O)c2cccs2)c2ccccc21)Nc1cc(Cl)cc(Cl)c1 108214281 WGONQEJSTIBNDF-UHFFFAOYSA-N 429.328 5.879 0 40 IKAB C=C1/C(=C/C=C2/CCC[C@@]3(C)[C@H]2CC[C@@H]3[C@H](C)/C=C/[C@H](C)C(C)(C)O)C[C@@H](O)C[C@@H]1O 140965611 ZGLHBRQAEXKACO-MSBWPYEBSA-N 428.657 5.727 0 40 IKAB O=C(Nc1ccccc1-c1csc(-c2ccccc2F)n1)c1ccc(N2CCCC2)nn1 208012018 ZTNOJWVFLBTMJV-UHFFFAOYSA-N 445.523 5.259 0 40 IKAB Cc1cccc(CN(C(=O)CCc2ccc(C(C)(C)C)cc2)[C@H](C)C(=O)NC(C)(C)C)c1 222732927 IXCFALQPRHDEBL-OAQYLSRUSA-N 436.640 5.557 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(C)cc1)C(=O)COc1ccc(C(C)C)cc1 223303005 DEBSYTVFBDVCKN-XMMPIXPASA-N 438.612 5.219 0 40 IKAB Cc1ccccc1N(C)S(=O)(=O)c1cccc(C(=O)Nc2cc(Cl)cc(Cl)c2)c1 224115605 TUOAAKYIVIMEPC-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(Cl)cn2)c1 224246104 XKAWXCJZRFWATK-GOTSBHOMSA-N 445.979 5.406 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1C 224280166 QICKLJMLQKTBMP-LOSJGSFVSA-N 425.557 6.136 0 40 IKAB Cc1ccc(NC(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccccc3)c2)cc1Cl 224292300 JDPSOCCQHHMHEV-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1COc1ccccc1Cl 224475762 XURAKLIYIZYCPY-UHFFFAOYSA-N 439.939 5.299 0 40 IKAB CCCC[C@@H](CC)CNC(=O)c1ccc(CN(c2ccc(C)cc2C)S(C)(=O)=O)cc1 224648317 JRONBMVBSQGYGD-OAQYLSRUSA-N 444.641 5.216 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 224906836 XIJMFIQSRIFCNF-KRWDZBQOSA-N 435.395 5.096 0 40 IKAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)c(I)c1 225014112 PWQNFSBJTOUKTD-UHFFFAOYSA-N 439.602 5.524 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2C2CCCC2)cc1 225024086 LHSJHRDRBRGRIH-RPWUZVMVSA-N 432.593 5.186 0 40 IKAB O=C(Nc1ccc2c(c1)C(=O)N1CCCC[C@@H]1CCO2)c1ccc(-c2ccsc2)cc1 225620092 JNMHWRIVPZJFAD-OAQYLSRUSA-N 432.545 5.445 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CCc1ccc(C)cc1 225628551 MONUVAPHOZPCKK-WMZHIEFXSA-N 429.004 5.303 0 40 IKAB O=C(CSc1nnc(C23CC4CC(CC(C4)C2)C3)[nH]1)Nc1cccc(C(F)(F)F)c1 253561939 CRGZYJXMRFYISV-UHFFFAOYSA-N 436.503 5.022 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C)c2C)c1 408543888 FWJFKSJRKRPKHC-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB COc1ccc(CNC(=S)c2cccc(OC)c2OCc2c(F)cccc2Cl)cc1 408572151 FKUNMZCRUSCABW-UHFFFAOYSA-N 445.943 5.541 0 40 IKAB CSc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Nc3cc(C)cc(C)c3)cc2)cc1 408701464 YIWZGEFKDFGHJX-UHFFFAOYSA-N 440.590 5.103 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc3c(c2)OCO3)C(=O)N1c1ccccc1 408814396 FRXLXYPCFDSJMH-XKZIYDEJSA-N 431.469 5.235 0 40 IKAB Cc1ccc(COc2ccc(Br)cc2/C=C2/SC(=O)N(C(C)C)C2=O)cc1 409023469 NDVOPPRQXVMNCQ-YBFXNURJSA-N 446.366 5.781 0 40 IKAB CCOc1cc(CNc2ccccc2CC)ccc1OCc1ccc(Br)cc1 409111258 BSXFXJDHPXJBJS-UHFFFAOYSA-N 440.381 6.601 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)ccc1OCc1ccc(Br)cc1 409184648 YMARPPBKQYQPHP-UHFFFAOYSA-N 446.772 6.692 0 40 IKAB O=C1S/C(=C/c2cccc(OCc3ccc(F)cc3)c2)C(=O)N1CCc1ccccc1 409212670 RNNJBCRKJMYHKV-XQNSMLJCSA-N 433.504 5.684 0 40 IKAB CCc1ccc(-n2c(CCc3ccccc3)nnc2SCC(=O)N2CCCC[C@H]2C)cc1 409215400 XWAJXWZKOVCDND-HXUWFJFHSA-N 448.636 5.108 0 40 IKAB COCCCN1C(=O)S/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OC)c2)C1=O 409221316 OLBDBPNGCUCVQM-DEDYPNTBSA-N 447.940 5.000 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)cc1C 409378948 SSQSJRXWTXBSII-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CCCOc1cc(Cl)ccc1-c1ccc(C(=O)O)c(COc2ccccc2C(C)C)n1 585266020 ZHNQXRRMVBJIHI-UHFFFAOYSA-N 439.939 6.591 0 40 IKAB CN(C)c1ccc2cc(C(=O)N3CCCCCCN(Cc4ccccc4)CCC3)[nH]c2c1 643562370 QVOFSTVIRHSLES-UHFFFAOYSA-N 432.612 5.142 0 40 IKAB Cc1ccccc1CCNC(=O)c1ccc2c(c1)CNCCCCCCCN2C(=O)C(C)C 643584171 WAJRHSZVXRONHS-UHFFFAOYSA-N 449.639 5.010 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)N3c4ccccc4C[C@@H]3C)c2c1 906257 DWDWAXIGXIYBCX-KRWDZBQOSA-N 441.556 5.375 0 40 IKAB COc1ccc2nc(Cl)c([C@H]3CC(c4ccc(C)cc4)=NN3C(=O)c3ccco3)cc2c1 1254481 SFNLIWZDOFLBGF-JOCHJYFZSA-N 445.906 5.790 0 40 IKAB Cc1ccc(Br)cc1SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 1810834 DDJRNSXYJBHGME-UHFFFAOYSA-N 433.396 5.920 0 40 IKAB CC1(C)C[C@@](C)(c2ccccc2)c2ccccc2N1S(=O)(=O)c1ccc(Cl)cc1 1816837 JLGIMDVKTQIQQX-DEOSSOPVSA-N 425.981 6.024 0 40 IKAB O=C(C1=NN(c2ccccc2)[C@@]2(c3ccccc3)N1CCN2c1ccccc1)c1ccccc1 2049115 PDLHTGODSCGEMA-GDLZYMKVSA-N 444.538 5.336 0 40 IKAB CCOC(=O)c1c(NC(=O)c2sc3ccccc3c2Cl)sc2c1CC[C@@H](CC)C2 2105199 LWZLVXUOCRWAPO-GFCCVEGCSA-N 448.009 6.560 0 40 IKAB CSc1nc2n(n1)[C@@H](c1cccs1)C1=C(N2)c2ccccc2O[C@H]1c1ccc(F)cc1 2256807 KRSKMWXPJDSVOD-SFTDATJTSA-N 448.548 5.761 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SCc2ccc(F)cc2)o1 2396224 OPCHFKNCVNQVQC-SFHVURJKSA-N 429.517 5.310 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1Cc1ccco1 2453693 GPXRILODCAZLQX-UHFFFAOYSA-N 446.576 5.496 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1C 2768832 FGAZQZPIGBPDBY-IBGZPJMESA-N 428.963 6.971 0 40 IKAB O=C(Nc1ccc(Sc2cccc(C(F)(F)F)c2)cc1)c1ccc(Cl)cc1Cl 3111109 JXVCZHSMDCYHKN-UHFFFAOYSA-N 442.289 7.416 0 40 IKAB CC(C)Cn1c(SCC(=O)Nc2ccccc2)nc2sc(-c3ccccc3)cc2c1=O 3285963 ASYCMBLFGQJDDS-UHFFFAOYSA-N 449.601 5.512 0 40 IKAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C1CCCC1 3287852 ZSGZXYOILKFLMV-QGZVFWFLSA-N 428.646 5.755 0 40 IKAB CC(C)(C)N1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CC1=O 4910923 HVZDFWPCHNOMJN-KRWDZBQOSA-N 425.960 5.273 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1 5950096 COTLDSIUEFGQSF-UHFFFAOYSA-N 447.585 5.661 0 40 IKAB CCc1cccc(-n2c(N)c(C(=O)NCCCc3ccccc3)c3nc4ccccc4nc32)c1 6150525 OJTAZPUKSQVYRL-UHFFFAOYSA-N 449.558 5.081 0 40 IKAB Cc1ccccc1N1C(=O)N(Cc2cccc(C(F)(F)F)c2)c2ccccc2S1(=O)=O 8757140 DRKPRBFMQRAFQL-UHFFFAOYSA-N 446.450 5.349 0 40 IKAB O=c1c(-c2nnc(SCc3cccc(C(F)(F)F)c3)o2)cccn1Cc1ccccc1 8762122 DDGYUCQXVYAMFC-UHFFFAOYSA-N 443.450 5.258 0 40 IKAB CCOc1ccc(CN2CCN(c3ncnc4scc(-c5ccc(F)cc5)c34)CC2)cc1 8838107 NFNAGUXGVOHZMU-UHFFFAOYSA-N 448.567 5.218 0 40 IKAB Cc1ccc(C(=O)Nc2c(-c3nc4ccccc4[nH]3)c(C)c(C)n2C[C@@H]2CCCO2)cc1 8995091 KNLJUGAYBLLGDO-FQEVSTJZSA-N 428.536 5.388 0 40 IKAB COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1cccc(Cl)c1Cl 9142374 OCDWIJMGNHJBTI-UHFFFAOYSA-N 448.169 5.200 0 40 IKAB O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccccc2F)N1CCc1ccccc1 9347716 IPAUJSYFUGGXLI-QFIPXVFZSA-N 433.866 5.373 0 40 IKAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1 9545795 RIGVNYHOVDVUDJ-HNAYVOBHSA-N 444.988 5.027 0 40 IKAB O=C(CSc1nnc(-c2cccs2)n1-c1ccccc1)NCc1ccc(Cl)cc1 9632545 SMWCDZRWMOKTLU-UHFFFAOYSA-N 440.981 5.058 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1sc2cccc(F)c2c1C 9683923 WJWWLCQAGZESEI-UHFFFAOYSA-N 446.569 5.084 0 40 IKAB CCN(Cc1cccs1)C(=O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 9871720 ORCQNXCLEZHDCL-UHFFFAOYSA-N 446.601 5.408 0 40 IKAB CCOC(=O)C1=C(C)N=C(NC(=O)c2ccc(Cl)cc2)S[C@@H]1c1ccc(Cl)cc1 9941581 DVRIMPNGXQHWDD-GOSISDBHSA-N 449.359 5.404 0 40 IKAB CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nccs2)cc1 10233181 WKVICGGDPROIQZ-HXUWFJFHSA-N 432.501 5.015 0 40 IKAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)Nc1c(C)nn(-c2ccccc2)c1C 10540177 XHQIIMJPKLYOAK-BUHFOSPRSA-N 449.917 5.428 0 40 IKAB CCn1c(SCC(=O)Nc2cccc3c2CCCC3)nnc1-c1cc2ccccc2o1 10681916 PGCDYVQOKPZWFB-UHFFFAOYSA-N 432.549 5.321 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)CN4CCCCC4)cc3)cc(-c3ccccc3)c2c1 12759385 SNXNXHLUYUGMEW-UHFFFAOYSA-N 435.571 6.302 0 40 IKAB O=C(/C=C/c1ccc(OCc2ccc(Cl)cc2Cl)cc1)NCc1ccc(Cl)cc1 12957695 MHQGWMUGQLMTGH-LFYBBSHMSA-N 446.761 6.555 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3cccc(SC)c3)cs2)cc(OC)c1 13010368 KAVYFMBYWRTKLP-UHFFFAOYSA-N 446.619 5.356 0 40 IKAB CCOC(=O)c1c(NC(=O)c2ccccc2CCc2ccccc2)sc2c1CCCC2 13688342 BLNDSXDZWTUSMU-UHFFFAOYSA-N 433.573 5.841 0 40 IKAB Cc1ccccc1O[C@@H](C)C(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 13994322 KTGUMCPMMSTZSN-BGYRXZFFSA-N 432.520 5.115 0 40 IKAB CC1(C)Cc2cccc(OCc3ccc(C(=O)Nc4ccc(Cl)c(Cl)c4)cc3)c2O1 15881159 ZCJBGDJUDDULHM-UHFFFAOYSA-N 442.342 6.538 0 40 IKAB COc1ccc([C@H]2Nc3nc4ccccc4cc3C(=O)N2c2ccccc2)c(OC)c1OC 16215740 PDLSYQWSTDVRAT-VWLOTQADSA-N 441.487 5.032 0 40 IKAB COc1ccccc1C(=O)NC(=S)Nc1ccc2oc(-c3cc(C)cc(C)c3)nc2c1 17097545 YMGOMWHINUDXPD-UHFFFAOYSA-N 431.517 5.247 0 40 IKAB O=C(NCCCCCCCCNC(=O)[C@@H]1C[C@@H]1c1ccccc1)[C@H]1C[C@@H]1c1ccccc1 17098179 XKNUGCDRQZPWHO-POTDNYQPSA-N 432.608 5.167 0 40 IKAB CCCCCC(=O)N1c2ccccc2N=C2CC(C)(C)C[C@H](O)[C@@H]2[C@@H]1c1ccccc1OC 17124053 ASEVQPKUGBNXIJ-RNJDCESWSA-N 448.607 6.233 0 40 IKAB CCOc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c34)C2)cc1OC 19533788 RGLJYFDMAVPPEH-INIZCTEOSA-N 449.473 5.337 0 40 IKAB Cc1ccc(NC(=O)N[C@H](c2ccccc2)c2nnc(-c3ccccc3Cl)o2)cc1C 20394747 OOGLMRSWEQZGPN-OAQYLSRUSA-N 432.911 5.918 0 40 IKAB CCOc1ccc([C@H](C)NC(=O)COc2ccc3ccccc3c2Br)cc1 20455468 KBJGUKNCBYFHJJ-HNNXBMFYSA-N 428.326 5.257 0 40 IKAB CCCc1nnc2sc(-c3ccc(NC(=O)c4ccc(OCC)c(Cl)c4)cc3)nn12 20609809 QFHBTJJBIXRRBM-UHFFFAOYSA-N 441.944 5.110 0 40 IKAB Clc1ccc(-c2nn(Cc3ccccc3Cl)c(-c3ccc(Cl)cc3)c2Cl)cc1 20636906 NPKFJMARLKDGGD-UHFFFAOYSA-N 448.180 7.879 0 40 IKAB O=C(Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H]1CCCN1C(=O)c1cccs1 20899707 WBSBWLHFGXAOBD-ZDUSSCGKSA-N 436.377 5.029 0 40 IKAB CCCC[C@@H](Sc1nnc(-c2ccc(Br)cc2)n1-c1ccccc1)C(=O)O 27517372 HKRSUFNIVSFOCU-QGZVFWFLSA-N 446.370 5.432 0 40 IKAB CCN(C(=O)COc1ccc(Cl)c(C)c1)[C@H](c1ccc(C)cc1)c1c[nH]c2ccccc12 27993075 CRQAQLGSYMEGEO-HHHXNRCGSA-N 446.978 6.455 0 40 IKAB CCn1c(CSc2ccccc2)nnc1SCC(=O)c1ccc(Cl)cc1Cl 28284646 HTHJHERUOJJTFQ-UHFFFAOYSA-N 438.405 5.872 0 40 IKAB COc1ccc(-c2csc(NC(=O)c3sc4cc(F)ccc4c3Cl)n2)c(OC)c1 29256055 YSFASKVPTKPNMD-UHFFFAOYSA-N 448.928 6.087 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccccc1)c1nc(-c2ccco2)no1 29749408 SCUDDOBQWWGQFW-INIZCTEOSA-N 429.505 5.354 0 40 IKAB CCCCN(CCCC)C[C@H](C(C)=O)[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 31841529 SGJLLIYCHAVIGF-ILBGXUMGSA-N 449.591 5.738 0 40 IKAB COc1ccc(-c2nn3c(c2C)N=C(O)C[C@@H]3C(=O)Nc2cccc(C(F)(F)F)c2)cc1 32095589 UFVPXJGRDSWSIY-QGZVFWFLSA-N 444.413 5.057 0 40 IKAB O=C(OCc1nnc(-c2ccccc2)o1)c1ccccc1CSc1nc2ccccc2[nH]1 32689203 PAVKYBAXBALZMV-UHFFFAOYSA-N 442.500 5.262 0 40 IKAB CCc1ccc(-c2ccc(SCc3nc(-c4ccc(OC)c(OC)c4)no3)nn2)cc1 33262470 KQNVIBIYLSJDTO-UHFFFAOYSA-N 434.521 5.066 0 40 IKAB Cc1nccn1Cc1ccc(C(=O)Nc2ccccc2SCc2ccc(Cl)cc2)cc1 44918014 MWXZVUFMBDAZIB-UHFFFAOYSA-N 447.991 6.438 0 40 IKAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 46079009 DZKZLZPGDYLKOZ-UHFFFAOYSA-N 438.886 5.333 0 40 IKAB Cc1cc(C)n([C@@H](C)C(=O)Nc2ccc(NC(=O)c3cc(C)sc3C)cc2Cl)n1 48311950 WLQBCDISVHERBE-AWEZNQCLSA-N 430.961 5.284 0 40 IKAB CC(C)C(=O)Nc1nc(CC(=O)Nc2nc(-c3ccccc3)c(C(C)C)s2)cs1 48344438 PGEMPYSSLMXONZ-UHFFFAOYSA-N 428.583 5.166 0 40 IKAB Cc1cc(C)cc(OCC(=O)Nc2cccc3c(Cl)c(C(=O)NC(C)(C)C)sc23)c1 57313015 DJYWKTUQNUUMQL-UHFFFAOYSA-N 444.984 5.717 0 40 IKAB Cc1nc(Cc2ccc(F)cc2)sc1C(=O)Nc1cccc(-c2nc(C3CC3)n[nH]2)c1 58265585 QBEPTJHBMFXQOS-UHFFFAOYSA-N 433.512 5.096 0 40 IKAB C[C@@H](NC(=O)C1(c2cccc(C(F)(F)F)c2)CCCC1)c1ccc2c(c1)CCC(=O)N2 58413239 BMONDCWWAYVERR-OAHLLOKOSA-N 430.470 5.279 0 40 IKAB O=c1c2sccc2nc(SCc2c(F)cccc2Cl)n1Cc1ccccc1F 67259912 NIRGSWVCCCXCIS-UHFFFAOYSA-N 434.920 5.730 0 40 IKAB CCCCOc1cccc(C(=O)Nc2c(C)cc3nc(-n4nc(C)cc4C)sc3c2C)c1 72228685 QWSTZMQTUVTBPX-UHFFFAOYSA-N 448.592 6.147 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@@H]3CCCN3C(=O)c3oc4ccccc4c3C)n2)n1 72375365 YIFROVUASUAURJ-FQEVSTJZSA-N 427.508 5.264 0 40 IKAB CCc1oc2ccccc2c1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 72398615 WKYZAVFTGFUEMZ-CLOONOSVSA-N 433.596 5.506 0 40 IKAB CCc1c(Br)c(N)c(Br)c2nc(-c3ccc(OC)cc3)oc12 73642768 PMNPZAQPPVXMKV-UHFFFAOYSA-N 426.108 5.173 0 40 IKAB Cc1ccc(NC(=O)N2CCSC[C@@H]2c2ccc(Cl)cc2)c(Br)c1 78814349 YMQLJUMRFNKDCJ-QGZVFWFLSA-N 425.779 5.733 0 40 IKAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)Nc2sc3ccccc3c2Cl)cc1 89904815 YEKDDCBUFIMHPK-AVRDEDQJSA-N 430.957 5.467 0 40 IKAB Fc1ccc(-c2cnc3n2C[C@H](CN(Cc2ccccc2)Cc2ccccc2)OC3)cc1 96269296 PASSIWRXIUORIO-VWLOTQADSA-N 427.523 5.290 0 40 IKAB biogenic,in-vitro CCc1cccc(N2C(=O)N(C(=O)c3ccccc3Cl)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032902 JVOAMQRCQIOTBO-BKMJKUGQSA-N 446.934 6.225 0 40 IKAB CC(=O)N1c2ccccc2N=C2C[C@H](c3ccccc3)CC(O)=C2[C@H]1c1cccc(F)c1 100967676 FOGUVKOKUQBLPP-CCLHPLFOSA-N 426.491 6.396 0 40 IKAB CCCC[C@@H]1c2c([nH]c3ccccc23)[C@H]2C(=O)N(c3ccc(OC)cc3)C(=O)[C@@H]2[C@@H]1CCC 102921364 PMONBFSPMKSPTJ-GRADPPADSA-N 444.575 6.153 0 40 IKAB Cc1ccc(F)cc1NC(=O)CSc1nnc(-c2cc3cc(Cl)ccc3o2)n1C 108922879 DMIAICPPXCATES-UHFFFAOYSA-N 430.892 5.060 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2ccc(Cl)cc2Cl)C1=O 214409828 XQYHHDDCINJBOY-RGVLZGJSSA-N 444.339 6.392 0 40 IKAB Cc1cccc(CN2C(=O)S/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)c1 214594564 SLIKXMQQZANJGW-OEAKJJBVSA-N 433.504 5.950 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(F)cc1)C(=O)CCc1cccc2ccccc12 223445102 ZTWIGAILAWIVJF-RUZDIDTESA-N 448.582 5.634 0 40 IKAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1ccncc1 223512007 GXZUFTAAOTXXJH-PKTZIBPZSA-N 446.963 5.563 0 40 IKAB Cc1cccc(CN(C(=O)CCSCc2ccccc2)[C@H](C)C(=O)NC2CCCC2)c1 223805829 JFBVOUGZKHTCPW-OAQYLSRUSA-N 438.637 5.094 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 223939496 XBFLGECJEIWDDS-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 224244560 YYPQHAXGAQOQOE-RPWUZVMVSA-N 426.545 5.063 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cc(C)cc(C)c2)cc1 224310574 FVYLALOVYRUSIB-IZZNHLLZSA-N 438.600 5.975 0 40 IKAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3OC(C)C)cc2)c1 224563119 OSVWVWDGPYVLNO-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB O=C(NCc1ccccc1CN1CCCCC1)c1ccc(OCc2ccccc2Cl)cc1 224831814 GLABHJTVLFCVTJ-UHFFFAOYSA-N 448.994 5.835 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1Cl)c1ccccc1 225370834 WIYRWDQEFVUQSD-MRXNPFEDSA-N 441.358 6.056 0 40 IKAB Cc1ccc(N2CCOCC2)c(NCc2ccc(-c3ccc(Br)cc3)o2)c1 226240345 SBGAQGJFNCTNBP-UHFFFAOYSA-N 427.342 5.466 0 40 IKAB Cc1cc(C(F)F)n(CC(=O)N2CCCC[C@@H]2c2ncc(Cc3cccc(Cl)c3)o2)n1 257286446 PLPQCAFOJRMZMW-GOSISDBHSA-N 448.901 5.115 0 40 IKAB CS(=O)(=O)N(Cc1ccccc1)c1ccccc1C(=O)Nc1c(Cl)cccc1Cl 408579661 JGXZJXRBPNWAGF-UHFFFAOYSA-N 449.359 5.212 0 40 IKAB CCOC(=O)c1ccc(NC(=O)C(=O)c2c(-c3ccc(Cl)cc3)cc3ccccn23)cc1 408621581 OTJVJANKQIAXQB-UHFFFAOYSA-N 446.890 5.258 0 40 IKAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CC(=O)N(c4ccc(Cl)cc4)C3)cc2)cc1C 408644237 SECUKNSPQUZJKP-SFHVURJKSA-N 434.923 5.741 0 40 IKAB Cc1ccc(Cl)cc1-n1nc(C(=O)Nc2ccccc2F)nc1-c1cccc(Cl)c1 408696752 BPMYLKLHLVOSRZ-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(Cl)c2)c(C)c1 408699771 ZFSQCTUGHWZUNS-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1ccc(-n2c(SCc3ccc(Cl)cc3)nnc2-c2ccc(Cl)cc2)cc1C 409104539 FQXWKUQIFYTGPJ-UHFFFAOYSA-N 440.399 7.150 0 40 IKAB Clc1cccc(COc2c(Cl)cc(CNc3ccccc3Cl)cc2Cl)c1 409177914 DQUDRCGXVXCGRE-UHFFFAOYSA-N 427.158 7.491 0 40 IKAB COc1ccc(C)cc1NC(=O)c1ccc([C@H]2SCC(=O)N2CCc2ccccc2)cc1 409180157 WFPYDYQFZYRKDW-AREMUKBSSA-N 446.572 5.073 0 40 IKAB Fc1cccc(Cl)c1COc1ccc(Br)cc1-c1nc2ccccc2s1 409263755 MLKVGRNFGTYYLH-UHFFFAOYSA-N 448.744 7.097 0 40 IKAB CCC(C)(C)c1ccc2c(c1)[C@H]1O[C@@H](CCc3ccccc3)[C@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265227 ZHWQTCMXWYQPCE-KNAFXUBQSA-N 436.592 6.325 0 40 IKAB O=C(c1ccc2ccccc2n1)N1CCC[C@@H]1c1cccc(-c2cccc(C(F)(F)F)c2)n1 1848353512 TYOGBDJJCUJFMF-XMMPIXPASA-N 447.460 6.293 0 40 IKAB Cc1cc(OC[C@]2(O)CCCN(C(=O)c3ccc(F)c(Cl)c3)CC2)cc(C)c1Cl 2037912725 WYJUFBJAGNYGOK-QFIPXVFZSA-N 440.342 5.186 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1cc(-n2cnnc2)ccc1Cl 679786 BJMCWNFGTOXTLN-UHFFFAOYSA-N 445.935 5.758 0 40 IKAB CC(C)c1nc2sc3c(SCC(=O)c4ccccc4)ncnc3c2c2c1CCCC2 1236815 INAUSCZFAHYHKG-UHFFFAOYSA-N 433.602 6.217 0 40 IKAB COc1ccc(CC[C@@H]2NCC3(CCCCC3)c3cc(OC)c(OC)cc32)cc1OC 1321260 LYIIGTRGFXZVSE-NRFANRHFSA-N 425.569 5.200 0 40 IKAB biogenic COc1ccc(OC)c(C(=O)CSc2nc(Cc3ccccc3)nc3ccccc23)c1 1342679 MHNCFYOPZKRMFD-UHFFFAOYSA-N 430.529 5.213 0 40 IKAB C[C@H]1C(=O)N(Cc2cccc(Cl)c2)c2ccccc2N1C(=O)c1ccc(Cl)cc1 1381869 YXPDQVGYCLFZGB-HNNXBMFYSA-N 425.315 5.576 0 40 IKAB CCOC(=O)c1c(NC(=O)COc2cc(Cl)ccc2Cl)sc2c1CC[C@H](C)C2 1747154 OCQYGIDAWHUADK-NSHDSACASA-N 442.364 5.374 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1ccc(OCc2ccccc2)cc1 1840571 FLTPYVHUPMPAHF-UHFFFAOYSA-N 440.465 6.137 0 40 IKAB COc1ccc(N[C@@H](c2ccccc2)P(=O)(Oc2ccccc2)Oc2ccccc2)cc1 2300339 RDBHDOJRMHZTDB-AREMUKBSSA-N 445.455 7.157 0 40 IKAB O=C(O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)OCC1c2ccccc2-c2ccccc21 2583067 ZVVZCIYXWWJGCS-GOTSBHOMSA-N 431.513 5.136 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccccc3c3nc(-c4ccccc4)nn23)cc1F 2969431 GSBQBGXLFCTQFQ-UHFFFAOYSA-N 443.507 5.123 0 40 IKAB Cc1ccc(Nc2cc(C(C)C)c(OS(=O)(=O)c3ccc(C)cc3)c(C(C)C)c2)cc1 3012622 BZRYJVGJDACEDK-UHFFFAOYSA-N 437.605 7.062 0 40 IKAB COc1ccc(N(C=C(c2ccccc2)c2ccccc2)C(=O)OCc2ccccc2)cc1 3058822 YMLVKMHUWNBZMY-UHFFFAOYSA-N 435.523 6.928 0 40 IKAB Cc1ccc(N[C@@H](CC(=O)c2ccc(Cl)cc2)c2ccc(Br)cc2)cc1C 3059544 JWXJONXRLUJVMV-QFIPXVFZSA-N 442.784 7.146 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3nc2Nc2ccc(C)c(C)c2)cc1 3090510 RIZUNWNGQSDRTC-UHFFFAOYSA-N 432.549 5.408 0 40 IKAB O=C(COC(=O)C1c2ccccc2Oc2ccccc21)Nc1cccc(C(F)(F)F)c1 3238583 QTLVDEGCCCORNI-UHFFFAOYSA-N 427.378 5.125 0 40 IKAB CC(=O)OC[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](N(C)C)CC[C@@]43C)[C@@H]1CC[C@@H]2[C@H](C)OC(C)=O 4214341 AYSBIMSATXNCSF-VFEFFJNBSA-N 447.660 5.070 0 40 IKAB biogenic,in-man C[C@@H]1[C@@H]2NC(=S)N(c3ccc(F)c(Cl)c3)[C@@]1(C)Oc1ccc(Br)cc12 4767712 ZRKKBXCNIUILTL-COJQNKITSA-N 441.753 5.422 0 40 IKAB CCOC(=O)[C@@H](CC)Sc1nnc(COc2ccc(Cl)c(C)c2)n1-c1ccccc1 6134580 NWKKGQQRQOXIGH-LJQANCHMSA-N 445.972 5.242 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccccc1NS(=O)(=O)c1ccc(F)cc1 6146952 YGPGGZOFQMSZID-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1ccccc1OCCCn1c([C@@H]2CC(=O)N(c3ccccc3)C2)nc2ccccc21 8310629 OTBQGSXPKGKIKH-OAQYLSRUSA-N 425.532 5.334 0 40 IKAB Cc1nnc(NC(=O)c2sc3nc(-c4cccs4)cc(C(F)(F)F)c3c2N)s1 8672484 AYVAMSONWXATIR-UHFFFAOYSA-N 441.485 5.038 0 40 IKAB COc1ccc(CN(CC[C@@]2(c3ccccc3OC)CCO[C@H](C(C)C)C2)C(C)=O)cc1 8738753 WWCBCYJNXBONTI-RRPNLBNLSA-N 439.596 5.215 0 40 IKAB biogenic COc1ccc(-c2nc3ccccc3c(=O)n2CCOc2ccccc2C(C)(C)C)cc1 8743287 MPRUCZIXUCLEKD-UHFFFAOYSA-N 428.532 5.449 0 40 IKAB Cc1ccccc1OCCCn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 8758353 QPGOYKAXJNFMLF-FQEVSTJZSA-N 443.522 5.473 0 40 IKAB COc1cc(C(=O)N(C)Cc2ccc(C)o2)cc(Br)c1OCc1ccccc1 8772505 CTNJLWVVEGCBDX-UHFFFAOYSA-N 444.325 5.210 0 40 IKAB C[C@H](C(=O)c1ccccc1)n1cnc2scc(-c3ccc(Br)cc3)c2c1=O 8844096 WIFJPOYNLOHKKU-CYBMUJFWSA-N 439.334 5.331 0 40 IKAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CCc3ccccc3)c3ccc(Cl)cc32)cc1 8923077 FOXJRIRBACJFRZ-MHZLTWQESA-N 447.962 5.342 0 40 IKAB CCc1ccccc1NC(=O)CSc1nnc(-c2ccc(C)cc2)n1-c1ccc(C)cc1 9309046 CJBFOECSZPCYKM-UHFFFAOYSA-N 442.588 5.844 0 40 IKAB COc1ccc([C@@H](CNC(=S)Nc2ccc(SC(F)F)cc2)N2CCCC2)cc1 9491229 RWESMSWETBMWNG-LJQANCHMSA-N 437.581 5.133 0 40 IKAB CCN(C(=O)Nc1ccccc1Cl)c1nc(-c2ccc(Br)cc2)cs1 9607038 HAPFROBTALWZCA-UHFFFAOYSA-N 436.762 6.284 0 40 IKAB COc1ccc(NC(=O)c2ccc(COc3cccc4c3OC(C)(C)C4)cc2)c(OC)c1 9659768 JHCXIQHUTXTITI-UHFFFAOYSA-N 433.504 5.249 0 40 IKAB COc1cc2ncc3c(-c4ccc(C)cc4)nn(-c4cccc(Cl)c4)c3c2cc1OC 9675918 PJMSJEPWYIKMSC-UHFFFAOYSA-N 429.907 6.220 0 40 IKAB O=C(CSc1nccn1Cc1ccccc1)N1CCC[C@H](c2nc3ccccc3s2)C1 9862785 PMBQNFPNWGLKAA-IBGZPJMESA-N 448.617 5.039 0 40 IKAB Cn1c(COc2ccccc2Cl)nnc1SCc1nc(-c2cccc(Cl)c2)no1 9873766 MPQNOWWPXFLQFP-UHFFFAOYSA-N 448.335 5.043 0 40 IKAB COc1cccc2c1N(C(=O)c1ccc(Cl)cc1)C(C)(C)c1ssc(=S)c1-2 9926593 CQZHYCPMEHWLBS-UHFFFAOYSA-N 434.007 6.764 0 40 IKAB CC(=O)C1=NN(c2ccccc2)[C@@]2(CCC(c3ccccc3)=NN2c2ccccc2)S1 9969672 DURCXFIKVHWMCD-VWLOTQADSA-N 426.545 5.501 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3Cl)cc2)c(C)c1 10010913 GRHVNBIQTJZZTD-UHFFFAOYSA-N 442.968 5.329 0 40 IKAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccc(OCc2ccccc2)cc1 10060190 SHPJQBCCFWJVJY-XMMPIXPASA-N 425.488 5.077 0 40 IKAB CCOc1cc(OCC)cc(C(=O)NCc2ccc(-c3nc4cc(C)c(C)cc4o3)cc2)c1 10120333 VWSCYIDVMFSUQA-UHFFFAOYSA-N 444.531 5.839 0 40 IKAB CCC(=O)N1c2ccccc2[C@H](N(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)C[C@H]1C 10153221 YDGYFEGBBYOEDX-CJFMBICVSA-N 448.588 5.467 0 40 IKAB Cc1ccc(Cl)cc1-n1ncc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc21 10253951 PDZVNOWXSXVSRB-UHFFFAOYSA-N 427.895 6.313 0 40 IKAB COc1ccc(-c2nc(NC(=O)CCc3ncc(-c4ccccc4F)o3)sc2C)cc1 12263999 QZNIZDPWARAISJ-UHFFFAOYSA-N 437.496 5.493 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@H](N[C@@H]1CCOc2ccccc21)c1ccccc1 12750524 QYHDDDJIQPLJKA-IFMALSPDSA-N 426.438 5.499 0 40 IKAB CN(Cc1ccc2c(c1)OCO2)Cc1nc(O)c2sc(-c3ccc(Cl)cc3)cc2n1 12808878 PZEGERJGBTXXSS-UHFFFAOYSA-N 439.924 5.078 0 40 IKAB COCc1c(C(=O)N[C@H](c2ccc3c(c2)OCCCO3)C(C)C)sc2cccc(F)c12 13099089 YKTVIGAILQLALW-QFIPXVFZSA-N 443.540 5.475 0 40 IKAB COc1ccc(C(=O)CSc2nnc3c4c(C)c(C)sc4nc(C(C)C)n23)cc1 13499990 PDZFNPXOLAIPNG-UHFFFAOYSA-N 426.567 5.063 0 40 IKAB CCOC(=O)c1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1Cc1ccc(OC)cc1 13857666 QYXZBIMOOPZXJD-VWLOTQADSA-N 440.499 5.099 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 14092731 PVWQTHXEGMXPIN-UHFFFAOYSA-N 447.648 5.753 0 40 IKAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(-c4ccc(Cl)cc4)o2)N3)C1 15946387 JACKSZJIJSXWCP-HXUWFJFHSA-N 427.957 5.857 0 40 IKAB COc1ccc(N(CC(=O)Nc2cccc(Cl)c2Cl)c2n[nH]c(=S)s2)cc1 16768801 NIHCORNHCTWFHE-UHFFFAOYSA-N 441.365 5.293 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2C)cc1 17095941 QNZAQWXWKPEAGI-GOSISDBHSA-N 428.532 6.643 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2C(N)=O)C1 17101023 DMIHCFMZZIAAHH-GFCCVEGCSA-N 437.030 5.382 0 40 IKAB CC(C)(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)cc2N1 19082286 ZCRCAFFPDJPSJH-BPQIPLTHSA-N 426.527 5.113 0 40 IKAB Cc1ccc(OCCCC(=O)N2CCCC[C@@H]2c2nnc(-c3scnc3C)o2)c(C)c1 19132813 WVVKOFCUHRHUPY-GOSISDBHSA-N 440.569 5.031 0 40 IKAB CCN(CC)C[C@@]1(Sc2ccc(C)cc2)COc2cc(C)c(Br)cc2C1=O 19596859 JWYHPAKRJMAQAT-JOCHJYFZSA-N 448.426 5.514 0 40 IKAB CCCCOc1ccc(C(=O)Nc2ccc(-c3nc4cc([C@H](C)CC)ccc4o3)cc2)cc1 19636526 NKFXXCJQQQBJIH-LJQANCHMSA-N 442.559 7.440 0 40 IKAB Cc1ccc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1Br 20347250 SYLKNNIABJGXSM-UHFFFAOYSA-N 449.392 5.305 0 40 IKAB O=C(c1ccc(CSc2ccc(Cl)cc2)cc1)N1CCN(Cc2ccccc2)CC1 20477486 ZXJKDTHJZNLGNL-UHFFFAOYSA-N 437.008 5.590 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(O[C@H](C)CC)cc4)cc3n2)cc1 20611240 QVKCBIXMBCDDJK-GOSISDBHSA-N 428.536 5.721 0 40 IKAB Cc1ccc(CNCc2cc(Br)ccc2OCc2ccc(Cl)cc2)cc1 22076702 QTMBSXDFSOZBDQ-UHFFFAOYSA-N 430.773 6.280 0 40 IKAB Cc1nc(Nc2ccc(F)cc2)sc1C(=O)N[C@H](C)c1ccc(Br)cc1 22246124 JQODHBYNBCCOAZ-LLVKDONJSA-N 434.334 5.588 0 40 IKAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 22530930 PNIKKDGBLDCWGV-LJQANCHMSA-N 446.616 6.664 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)ccc1OCC(=O)Nc1ccc(C)c(C)c1 34888222 NTHNJWKKSFCPDN-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB COc1cccc(NC(=O)Nc2ccc3c(c2)C(=O)N(C)c2cc(C)ccc2O3)c1OC 36705424 UMMQSXRDQYSCCB-UHFFFAOYSA-N 433.464 5.039 0 40 IKAB Cc1ccc(-n2nnc(-c3nc(-c4ccc(Br)cc4)cs3)c2N)cc1Cl 38486701 YBAZVUJTBXNLPV-UHFFFAOYSA-N 446.761 5.364 0 40 IKAB CCOc1ccc(CCCNC(=O)C2CCN(Cc3c(Cl)cccc3Cl)CC2)cc1 44851441 QKGGEMJDWHNZCN-UHFFFAOYSA-N 449.422 5.353 0 40 IKAB C[C@@H]1CCCCN1Cc1ccc(CNC(=O)CCCc2ncc(-c3ccccc3)o2)cc1 48313814 CURGSKWSCMEMEF-OAQYLSRUSA-N 431.580 5.355 0 40 IKAB O=C([C@H](Sc1ccccc1)c1ccccc1)N1CCC[C@H](c2nnc3n2CCCCC3)C1 57987215 FOMCJCKBNXPKDM-XUZZJYLKSA-N 446.620 5.244 0 40 IKAB Oc1cc(-c2ccccc2)nc(SCc2nc(-c3ccc(OC(F)(F)F)cc3)no2)n1 65330972 DBACYKPSXVGYNR-UHFFFAOYSA-N 446.410 5.090 0 40 IKAB O=C(O[C@@H](c1cccc(C(F)(F)F)c1)C(F)(F)F)c1cccc(N2CCOC2=O)c1 72307965 YZSZDZYSJJVMMT-HNNXBMFYSA-N 433.304 5.122 0 40 IKAB CCCc1ncc(-c2ccncc2C)c([C@H]2CCCN2C(=O)c2ccc(COCC)cc2)n1 72390630 IWNJBKSDMBTVNY-XMMPIXPASA-N 444.579 5.313 0 40 IKAB COc1cccc(-c2c[nH]c([C@@H]3CCCN3C(=O)C[C@H](c3ccccc3)C(F)(F)F)n2)c1 83973748 MOOGGLNLGMTSCW-CTNGQTDRSA-N 443.469 5.485 0 40 IKAB O[C@@H](c1cc([C@@]23C[C@H]4CC[C@@H]2C[C@@H](C4)C3)nc2c(Cl)cc(Cl)cc12)[C@@H]1CCCCN1 100135052 KSGMKNOHFWUIIV-FLZRRSQOSA-N 445.434 6.185 0 40 IKAB in-vitro Cc1nc(NC(=O)C23C[C@H]4C[C@@H](CC(Br)(C4)C2)C3)sc1-c1ccccn1 102725759 GCDUGCZHYGMUTN-RCRDTURJSA-N 432.387 5.186 0 40 IKAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1O[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccncc1 102870888 HUQRNDUHICMJEI-VWWWFFDPSA-N 430.529 5.220 0 40 IKAB FC1(F)S[C@H]2[C@@H](C1(F)F)[C@]1(Cl)C(Cl)=C(Cl)[C@]2(Cl)C1(Cl)Cl 102959917 IOTWKLDMBZIDBV-KDKSSXIASA-N 430.892 5.792 0 40 IKAB Cc1ccc(NCc2cc(Br)ccc2OCc2ccc(F)cc2)cc1Cl 106970724 HSUSOTGQIXZEPV-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB Cc1ccc(CS(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 216330441 BNJIZLRTEFNFLY-UHFFFAOYSA-N 436.577 5.487 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2cccn2-c2cccc(Cl)c2)N1C1CCCCC1 223088648 IZGRXIVCFNYWJT-XZOQPEGZSA-N 437.012 5.831 0 40 IKAB CCC(=O)N(Cc1ccc(OC)cc1)[C@@H](C(=O)NCCC1=CCCCC1)c1ccccc1 223544871 OWYLFDFGIZWEBZ-AREMUKBSSA-N 434.580 5.182 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(C)c(C)c1 223806796 ZZSGGSUDJAHTFP-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@@H](C)C(=O)NC2CCCC2)cc1 223807873 RMDHUHJUFFPZLT-NRFANRHFSA-N 438.637 5.013 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(O)cc2)cc1 223867183 RUZGLHWEGXGXIB-BJKOFHAPSA-N 426.545 5.063 0 40 IKAB C[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCc1ccccc1 223943288 QOVCXMCTHPBSHR-KRWDZBQOSA-N 447.406 5.402 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC3CCCCCC3)cc2C)cc1 224000791 IXOIQHCEUNPVTE-UHFFFAOYSA-N 428.598 5.195 0 40 IKAB COc1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1COc1ccccc1Cl 224135073 ZWDFKVWAJFDVLV-UHFFFAOYSA-N 435.829 6.199 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)N(C)c2cccc(C)c2)c1 224140561 JLVPANIGLJRHQE-UHFFFAOYSA-N 440.590 5.184 0 40 IKAB Cc1cccc(CC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NCC(C)C)c1 224350352 NMXCOJXSXVUVQW-KRWDZBQOSA-N 435.395 5.034 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 224491218 WINMRFFJKZPAAL-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 224530420 ZHGVNNCHYMDYRU-UHFFFAOYSA-N 436.320 5.438 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(F)c(Cl)c2)cc1COc1ccc(Cl)c(C)c1 224544026 ZKAHDAKRERSJHX-UHFFFAOYSA-N 448.321 6.671 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccccc1OC 224573995 XPUFPQKQSVEYPI-UHFFFAOYSA-N 425.912 5.256 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCSc1ccccc1 225529239 VHCLFRSBEFLNLH-REWPJTCUSA-N 426.626 5.199 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CSc1ccccc1 225586964 XQNUDGIKKATRBA-LAUBAEHRSA-N 433.017 5.154 0 40 IKAB CCOc1ccc([C@H](C)NC(=S)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1OCC 225750136 NTMNEHQMAGVXCE-LBPRGKRZSA-N 446.922 6.204 0 40 IKAB Cc1ccc(C(=O)N/C(=C\c2ccco2)C(=O)Nc2ccc(Oc3ccccc3)cc2)cc1 225819580 OOZJWEMCOQTJLR-BWAHOGKJSA-N 438.483 5.790 0 40 IKAB S=C(Nc1nc(Oc2ccccc2)cc(N2CCc3ccccc3C2)n1)NC1CCCC1 226006439 RLTXUQYKVYGGKO-UHFFFAOYSA-N 445.592 5.061 0 40 IKAB CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc(Cl)cc1F)c1ccccn1 257322224 WFCJOGZGQRLQQN-KNQAVFIVSA-N 431.983 5.522 0 40 IKAB COc1cc(C(=S)NCc2ccccc2C)ccc1OCc1c(Cl)cccc1Cl 408578547 YOPJMCOUSDJGHG-UHFFFAOYSA-N 446.399 6.355 0 40 IKAB CCOc1ccccc1N(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(OC)cc1 408628094 TUTONAMRGQCKSI-UHFFFAOYSA-N 431.941 5.143 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408908566 WHQKVOPIBHTCAP-LTGZKZEYSA-N 428.384 6.443 0 40 IKAB O=C(O)COc1ccc(Cl)cc1-c1cc(-c2cccc(F)c2)n(Cc2ccccc2)n1 585264592 JCRGVZOHSYXCQC-UHFFFAOYSA-N 436.870 5.521 0 40 IKAB O=C1C[C@H]2[C@H](CCN2Cc2cccc(C(F)(F)F)c2)N1Cc1c(Cl)cccc1Cl 1565552222 WMQZCAVXCPPNPW-OALUTQOASA-N 443.296 5.388 0 40 IKAB COC(=O)c1ccc(COc2ccc3c(=O)c(Oc4cc(C)ccc4C)coc3c2)cc1 646230 CJWMLOQUSDSAEM-UHFFFAOYSA-N 430.456 5.568 0 40 IKAB COc1ccc2cc(CN(C(=O)Nc3ccccc3Cl)C3CCCC3)c(=O)[nH]c2c1 1327490 DXTSQNFPORNKDM-UHFFFAOYSA-N 425.916 5.167 0 40 IKAB CCCCCSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)C[C@H](C(C)C)OC3 1824210 GSYJOFBDYNCAAP-LJQANCHMSA-N 442.650 6.135 0 40 IKAB COc1ccc(N(Cc2ccc(Br)cc2)C(=O)c2ccc(Cl)cc2)cc1 2066400 CSBWFUXSLRJFNM-UHFFFAOYSA-N 430.729 5.958 0 40 IKAB CCCCCCc1cc2c(=O)c(-c3nc(C)cs3)coc2cc1O[C@@H](C)C(=O)OCC 2105846 XMITWGLVTFYIQT-INIZCTEOSA-N 443.565 5.678 0 40 IKAB biogenic CC1(C)C(=O)CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2CC[C@@H]2[C@@H]3[C@H]4OC[C@@]3(CCC4(C)C)CC[C@]21C 2118057 XGDVSJLOTVQNKY-NCPKHDMHSA-N 440.712 7.446 0 40 IKAB CC(C)COC(=O)c1c(N)n(-c2ccc(Cl)c(Cl)c2)c2nc3ccccc3nc12 2254126 KTZCIZMSCWBWIA-UHFFFAOYSA-N 429.307 5.276 0 40 IKAB COc1ccc(CCC(=O)N(c2nc3ccccc3s2)c2c(C)cccc2C)cc1OC 2639452 LOOLAMFUXNPSFI-UHFFFAOYSA-N 446.572 6.228 0 40 IKAB COc1cc(OC)cc(C(=O)c2c(C)c(Sc3ccc(Cl)cc3)c3ccccn23)c1 3169076 FDBLLNBRYXSRDJ-UHFFFAOYSA-N 437.948 6.301 0 40 IKAB O=C(COC(=O)c1cccc(Cl)c1Cl)Nc1c(Cl)cc(Cl)cc1Cl 3239104 RDYRVKDWFJQWJE-UHFFFAOYSA-N 427.498 5.749 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1Cc1ccccc1)c1ccccc1 3354880 OXEBXKDKKCQMQW-OAQYLSRUSA-N 434.539 6.021 0 40 IKAB CC[C@H]1SC2=NC(C)=C(C(=O)OCc3ccccc3)[C@@H](c3ccc(C(C)C)cc3)N2C1=O 3636798 QRGHJGZLQRGBAF-FYYLOGMGSA-N 448.588 5.592 0 40 IKAB CCOC(=O)CSc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(OCC)cc1 3658779 DHIYWUAYRPAEIV-UHFFFAOYSA-N 433.533 5.141 0 40 IKAB CCCCCCOc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1 4811821 NDKACQGBXQYWOY-XCZPVHLTSA-N 426.560 6.888 0 40 IKAB Cc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)nn1Cc1ccc(Cl)cc1 4881328 WPVLCZMONZCISA-INIZCTEOSA-N 426.948 5.285 0 40 IKAB C[C@H]1[C@@H](O)CC[C@@H]2[C@]1(C)CC[C@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5276295 XCDQFROEGGNAER-JWRGSBMTSA-N 428.745 8.249 0 40 IKAB CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)C(C)C)Cc1ccc(OC(C)C)cc1 5442561 DYENHGWYSAJCPB-HHHXNRCGSA-N 439.640 6.830 0 40 IKAB biogenic CC(C)c1ccc(NC(=O)COC(=O)c2cc(-c3ccccn3)nc3ccccc23)cc1 6146328 VAZQEPLUOIIEGT-UHFFFAOYSA-N 425.488 5.216 0 40 IKAB CCn1c2ccccc2c2cc([C@@H]3Oc4ccccc4[C@@H]4CC(c5ccccc5)=NN43)ccc21 8397599 SGBUYXOKZMIPTR-JDXGNMNLSA-N 443.550 7.057 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cc3c4c(oc3c3ccccc23)CC[C@H](C(C)(C)C)C4)cc1 8438948 RBEMTVLQFMOKBA-SFHVURJKSA-N 447.600 6.846 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccccc3)CC2=O)c1C 8753088 GQJSGTDMVVWSIY-JOCHJYFZSA-N 439.559 5.643 0 40 IKAB COc1c(F)c(F)c(C(=O)Nc2cc(-c3nc4ccccc4[nH]3)ccc2Cl)c(F)c1F 8831867 OPPKOLDFPGLCLC-UHFFFAOYSA-N 449.791 5.701 0 40 IKAB O=C(CSc1nc2ccccc2n1Cc1ccccc1)Nc1ccccc1C(F)(F)F 9095743 XSFGWIXOSTZIEJ-UHFFFAOYSA-N 441.478 5.834 0 40 IKAB COc1cccc(Oc2c(-c3ccc(OCc4cccc(Cl)c4)cc3O)n[nH]c2C)c1 9129748 WGQLILHAFXRICC-UHFFFAOYSA-N 436.895 6.124 0 40 IKAB O=C1Nc2ccccc2/C1=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)c(Cl)c1 9296352 LWYLQDUXYVGEDA-CXUHLZMHSA-N 430.718 6.719 0 40 IKAB Cc1cccc(-c2nnc(SCc3cccc(Cl)c3)n2-c2ccc(Cl)cc2)c1 9309131 BWPKPCSQTNGLHZ-UHFFFAOYSA-N 426.372 6.842 0 40 IKAB COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)c2ccc(F)cc2)cc1OC 9484153 PNVRKQCJSCNREB-HSZRJFAPSA-N 431.467 5.193 0 40 IKAB C[C@@H](Sc1nnc(-c2ccccc2Br)o1)c1nnc(-c2cccs2)o1 9497475 XCJWYGBQTGXROH-SECBINFHSA-N 435.328 5.464 0 40 IKAB COc1ccc(-c2cc(-c3ccco3)c3c(N)c(C(=O)Nc4ccccc4)sc3n2)cc1 9910423 FYRUJKZOPYPMNC-UHFFFAOYSA-N 441.512 6.066 0 40 IKAB C[C@H](NC(=O)[C@@H](C)Sc1nnc(Cc2ccccc2)o1)c1ccc(Cl)cc1Cl 9911625 MZZKBHUQTFHXGB-QWHCGFSZSA-N 436.364 5.325 0 40 IKAB Cc1ccc(S(=O)(=O)N2c3ccc(C(=O)Nc4cccc(Cl)c4)cc3C[C@@H]2C)cc1 10326649 ZHOKBMNKPPXUSF-INIZCTEOSA-N 440.952 5.041 0 40 IKAB O=C(Nc1cccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)c1)c1ccco1 12525939 HLEBHVYWMVKQGZ-UHFFFAOYSA-N 444.818 5.005 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](Nc1cccc(-c2csc(C)n2)c1)c1ccccc1 12554269 JGPPATIBWUUTPF-RUZDIDTESA-N 443.572 6.227 0 40 IKAB CCN(C(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1)c1ccccc1 12623596 LWRZEKUXZKIIPZ-UHFFFAOYSA-N 443.572 5.148 0 40 IKAB Cc1c(NC(=O)/C=C/c2ccc(-c3ccccc3F)s2)c(=O)n(-c2ccccc2)n1C 12907939 NEHNUQXJCOFQSD-FYWRMAATSA-N 433.508 5.004 0 40 IKAB COc1ccc2c(c1)[C@H](C)CC(C)(C)N2C(=O)CSc1ccc(-c2ccccc2)nn1 13086619 UUXZEQGMOQOIMF-QGZVFWFLSA-N 433.577 5.563 0 40 IKAB O=S(=O)(NCCSCc1c(Cl)cccc1Cl)c1cc(Cl)ccc1Cl 13896271 SDMYSJSZUNFDLN-UHFFFAOYSA-N 445.220 5.512 0 40 IKAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCCSCc1c(Cl)cccc1Cl 14396345 NWRIFCPLRQXCBK-OAHLLOKOSA-N 440.436 6.108 0 40 IKAB NC(=O)c1ccc(-c2nnc(Sc3ccc(OC(F)(F)F)cc3)c3ccccc23)cc1 14944606 UFEBBOFQEOFCFM-UHFFFAOYSA-N 441.434 5.446 0 40 IKAB CCCOC(=O)c1c(N)oc2c(-c3ccccc3)c3c(C(=O)OCCC)c(N)oc3cc12 15304388 JFKKMXRFLLYULW-UHFFFAOYSA-N 436.464 5.144 0 40 IKAB Cc1cc(OCCCC(=O)OCC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)ccc1Cl 15354742 RXLOOBJVUKHSLU-UHFFFAOYSA-N 445.943 5.218 0 40 IKAB O=C(CNc1ccccc1N1CCCC1=O)Nc1c(Cl)c(Cl)cc(Cl)c1Cl 15361405 AWWNFPKNZJXGOO-UHFFFAOYSA-N 447.149 5.478 0 40 IKAB O=C([C@H]1CC=CCC1)N1CC[C@H](c2nc(Nc3cccc(F)c3)cc(-c3ccncc3)n2)C1 19294147 YZMNALVWKRSWEU-PMACEKPBSA-N 443.526 5.094 0 40 IKAB Cc1ccc(-c2cc(C(=O)N3CCN(c4cccc(Cl)c4)CC3)c3ccccc3n2)cc1 19635121 JPUWGDVMOSDBNB-UHFFFAOYSA-N 441.962 5.826 0 40 IKAB O=C(CC[C@H]1CCCO1)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1 19687371 ZVECGSJWWMRNOQ-JOCHJYFZSA-N 446.513 5.356 0 40 IKAB CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(I)cc1C 19933737 BUPARLVSEREMQY-HNNXBMFYSA-N 429.685 5.049 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 20110220 FBJDYWAOIBXXMH-DEOSSOPVSA-N 443.930 6.520 0 40 IKAB CCCOc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20152692 ZQFXYUQEPUSXIG-UHFFFAOYSA-N 444.940 5.008 0 40 IKAB O=C(O)COc1cc(NC(=O)c2ccc(Cl)cc2)ccc1-c1nc2ccccc2s1 20158281 ZKOCWSDLVBJNDB-UHFFFAOYSA-N 438.892 5.332 0 40 IKAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCSCc1ccc(Cl)cc1Cl 20457201 GOIFPJJDSULDNA-HNNXBMFYSA-N 426.409 5.934 0 40 IKAB CC[C@H](C)Oc1cccc(C(=O)Nc2cc3nn(-c4ccc(OC)cc4)nc3cc2C)c1 20611298 AZFQFWKCNKWHSL-KRWDZBQOSA-N 430.508 5.167 0 40 IKAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22515669 NXEAJEZJPBZWOT-RUZDIDTESA-N 448.994 5.431 0 40 IKAB CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 22517199 GOOUTXNBNUXJJH-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccc(F)cc2)c2cccs2)c1C 26770948 MFXFNXUNPANSSE-JOCHJYFZSA-N 436.577 7.019 0 40 IKAB COc1cccc(NC(=O)c2nc(SCc3ccc(C)cc3)ncc2Br)c1 28291948 IDKVBHOSVDEZCH-UHFFFAOYSA-N 444.354 5.101 0 40 IKAB O=C(Nc1ccc(F)c(Cl)c1)Nc1nn(Cc2ccccc2F)cc1Br 32609645 MVMYAWMXFHBOJE-UHFFFAOYSA-N 441.663 5.270 0 40 IKAB Cc1nc(NC(=O)c2cccnc2Sc2ccccc2)sc1-c1nccn1C(F)F 32899769 MBSVLANLFNWCDL-UHFFFAOYSA-N 443.504 5.509 0 40 IKAB COc1cc(-c2noc(-c3ccc(C)cc3)n2)ccc1OCC(=O)Nc1cccc(C)c1 33013154 XDUAUIHCRMHAGE-UHFFFAOYSA-N 429.476 5.047 0 40 IKAB CCOc1ccc(OCC)c(NC(=O)c2scc(-c3ccccc3)c2-n2cccc2)c1 35480862 MVJMPEABVVNMTF-UHFFFAOYSA-N 432.545 6.256 0 40 IKAB COc1ccc(SCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 38771272 OJIAOMPBOKHWPI-UHFFFAOYSA-N 433.573 5.955 0 40 IKAB Cc1cccc(CN2CCC(C(=O)NCc3ccc(OCc4ccc(F)cc4)cc3)CC2)c1 39759542 VPLOLEPGFFZXGO-UHFFFAOYSA-N 446.566 5.242 0 40 IKAB CNC(=O)CSc1ncc(-c2ccc(Cl)c(Cl)c2)n1-c1cccc(Cl)c1 44087409 YTPYWDUMJUMOOR-UHFFFAOYSA-N 426.756 5.338 0 40 IKAB O=S(=O)(Nc1ccc(CSc2ccccc2)cc1)c1ccc(Oc2ccccc2)cc1 44905109 BOAVSJLMCWRRKH-UHFFFAOYSA-N 447.581 6.572 0 40 IKAB CC(C)CC(=O)Nc1ccc(-c2csc([C@@H]3CN(Cc4ccccc4)CCO3)n2)cc1 65553990 ABLKGEZCMPZTHA-QHCPKHFHSA-N 435.593 5.368 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(C(F)(F)F)c2)n1Cc1ccccn1 67259374 XTQKAXLHKGKFAK-UHFFFAOYSA-N 427.451 5.151 0 40 IKAB O=C(c1cnc2ccc(Cl)cc2c1NCc1ccc(F)c(Cl)c1)N1CCCCC1 72328475 FPLDXJQMAHJWKT-UHFFFAOYSA-N 432.326 5.919 0 40 IKAB O=C(CCCCC(=O)Nc1ccc2c3c(cccc13)CC2)Nc1ccc2c3c(cccc13)CC2 95115793 IJMXHBKVUZYKTO-UHFFFAOYSA-N 448.566 6.328 0 40 IKAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C(c3ccccc3)c3ccccc3)[C@H]2C(=O)N1c1cccc(Cl)c1 100503863 IKRVZWCJADPXNU-CNXCYTMISA-N 437.926 5.764 0 40 IKAB Cc1ccc(S(O)(O)N(Cc2nnc3n2CCCCC3)c2ccc(Cl)cc2)cc1 102486432 UQXWIRKUJWSWNI-UHFFFAOYSA-N 432.977 5.698 0 40 IKAB CCCOc1c(Br)cc(CNc2ccc(Cl)c(Cl)c2)cc1OCC 106992618 BAGMOOOQBOOSLG-UHFFFAOYSA-N 433.173 6.556 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1 215738834 VNICATGMCLZZBS-LDADJPATSA-N 426.303 5.358 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1cccc(C)c1)C(=O)CSCc1ccc(Cl)cc1 222414585 BMTAHYAWQGMARI-JOCHJYFZSA-N 447.044 5.214 0 40 IKAB CCc1ccc([C@H](C)NC(=O)c2ccc([C@H]3SCC(=O)N3Cc3ccccc3)cc2)cc1 223253413 IFXWRCMCUSGGJF-UZTOHYMASA-N 444.600 5.514 0 40 IKAB Cc1ccc(CSCC(=O)N(Cc2ccc(C)cc2)[C@H](C)C(=O)NC2CCCC2)cc1 223807885 RMDHUHJUFFPZLT-OAQYLSRUSA-N 438.637 5.013 0 40 IKAB Cc1cccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 224131335 AUNUELJJPGTLFH-UHFFFAOYSA-N 448.466 5.091 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccccn2)cc1C 224279592 ACBNUOVCCCMYOC-RPBOFIJWSA-N 439.588 5.120 0 40 IKAB CCN(c1ccc(C(=O)Nc2cccc(Cl)c2C)cc1)S(=O)(=O)c1ccccc1 224357891 JVOOIVZOYCFNPS-UHFFFAOYSA-N 428.941 5.116 0 40 IKAB CCOc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1COc1ccccc1Cl 224483418 IGWWPKAQDVBGFM-UHFFFAOYSA-N 438.911 5.528 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1COc1cccc(Cl)c1 224495272 MIOPLAAXIGFZOZ-MRXNPFEDSA-N 444.358 6.462 0 40 IKAB CCOc1ccc(C(=O)Nc2ccccc2OCC)cc1COc1ccccc1C(C)(C)C 224511816 BKAXHBIZGSRVLK-UHFFFAOYSA-N 447.575 6.613 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)CSc1ccc(C)cc1 224667217 YWAUDXHEWXIZFC-QFIPXVFZSA-N 447.044 5.320 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc3sc(C(=O)OC)cc3c2)cc1COCC(C)C 224743531 JXOQYBIHHNABEQ-UHFFFAOYSA-N 441.549 5.512 0 40 IKAB O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccc(Cl)cc1C(F)(F)F 224892293 XLQVPYJUKKPLPC-UHFFFAOYSA-N 429.225 6.239 0 40 IKAB O=C(NCc1ccccc1)c1ccccc1-c1ncc(-c2cccc(Br)c2)o1 224949181 XYGRYGKOQKYXAZ-UHFFFAOYSA-N 433.305 5.701 0 40 IKAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCCC1 225523478 FIUHHUMZADEAAS-UHFFFAOYSA-N 426.988 5.655 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCc1cccc2ccccc12 225552665 OVCLYFXAYXSDPM-CUNXSJBXSA-N 444.619 5.803 0 40 IKAB O=C(Cn1ccc(=O)c2cc(Br)ccc21)Nc1ccc(Oc2ccccc2)cc1 225728944 UQAGEMNEWMWEOO-UHFFFAOYSA-N 449.304 5.195 0 40 IKAB CCN(C(=O)C(F)(F)F)c1cc(Br)ccc1-c1cc2ccccc2oc1=O 226358242 IRLUEECUBZVQPX-UHFFFAOYSA-N 440.215 5.138 0 40 IKAB Cc1nnc(Nc2cccc(C3CCN(C(=O)c4oc5ccccc5c4C)CC3)n2)s1 257232274 GKCNOVIYDWBIGS-UHFFFAOYSA-N 433.537 5.060 0 40 IKAB CCNc1nc(C)c(C(=O)N2CCC[C@H](c3ncc(Cc4cccc(Cl)c4)o3)C2)s1 257270088 MSSCGTQRHSNCPQ-INIZCTEOSA-N 444.988 5.135 0 40 IKAB O=C(c1cc(-c2ccccc2F)no1)N1CCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257313174 URHHZPIQMWGIRY-OAQYLSRUSA-N 435.430 5.176 0 40 IKAB CC[C@H](C)C[C@H](C)/C=C(\C)[C@@H]1O[C@H](c2c(O)ncc(-c3ccc(O)cc3)c2O)CC[C@@H]1C 257651038 YDGOHTBOOYAVOP-LNEAVEBMSA-N 439.596 6.740 0 40 IKAB biogenic,in-vitro COc1ccccc1N1C[C@H](C(=O)Nc2ccc(Oc3ccc(Cl)cc3)cc2)CC1=O 408640742 IPOKNEQWXJTATP-MRXNPFEDSA-N 436.895 5.133 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cc(C)ccc3C)nc2-c2cccc(C)c2)cc1 408697373 GUEITZNDHVFSPH-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3cccc(OC)c3)nc2-c2ccc(Cl)cc2)cc1 408699024 QYCSWKZJSCRZIK-UHFFFAOYSA-N 448.910 5.247 0 40 IKAB Cc1ccc(C)c(NC(=O)c2nc(-c3ccc(Br)cc3)n(-c3ccccc3)n2)c1 408700134 YZYXASKUBIUNDR-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB CCOc1ccc(/C=C2/SC(=O)N(CCCc3ccccc3)C2=O)cc1Br 409127738 JPPTVFMMQLZFBA-XMHGGMMESA-N 446.366 5.517 0 40 IKAB Cc1cccc(NC(=O)COc2ccc(CNc3ccc(C)c(Cl)c3)cc2Cl)c1 409270010 NOGLVLCRLVVYGH-UHFFFAOYSA-N 429.347 6.240 0 40 IKAB CSc1ccccc1NC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@H](c1ccccc1)N2 409272024 XTBWPDGQFUSPSC-ZYAQVELZSA-N 440.612 6.957 0 40 IKAB CC(C)Oc1ccc(/C=C2\SC(=O)N(CCc3ccccc3)C2=O)cc1Br 409357338 ISUCZTHRWKYUKV-UYRXBGFRSA-N 446.366 5.515 0 40 IKAB CCOc1cc(NC(=O)Nc2ccccc2Cl)c(OCC)cc1NC(=O)CC(C)C 1324474 IGKKICGGZXQOAN-UHFFFAOYSA-N 433.936 5.766 0 40 IKAB O=C1O[C@@H]2C=CC=C[C@@H]2C=C1c1cn2cc(Cc3cccc(C(F)(F)F)c3)sc2n1 1452984 VPISIZKQRYTQNU-AUUYWEPGSA-N 428.435 5.056 0 40 IKAB Cc1cc(N(C(=O)c2cc3c(s2)CCCC3)C(=O)c2cc3c(s2)CCCC3)no1 1471327 FYXCADAJWOTPHB-UHFFFAOYSA-N 426.563 5.351 0 40 IKAB CC(=O)N1c2ccccc2[C@@H](N(C(=O)c2ccc(C(C)(C)C)cc2)c2ccccc2)C[C@H]1C 1833135 HDQZETFNIWCCJR-HRFSGMKKSA-N 440.587 6.517 0 40 IKAB Cc1cc(OCc2cccc(C(F)(F)F)c2)c2c(C)c(Cc3ccccc3)c(=O)oc2c1 1902785 PRTSGQORGJIKTB-UHFFFAOYSA-N 438.445 6.598 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc(OCC(=O)Nc3ccccc3C(C)C)cc2)cc1 1916196 XZOLSZHCUBCIEB-UHFFFAOYSA-N 444.575 6.422 0 40 IKAB CCOC(=O)c1c(NC(=O)/C=C/c2ccc(OC)c(OC)c2)sc2c1CCCCCC2 2082254 ARWJSLLTOVPMTA-WYMLVPIESA-N 443.565 5.253 0 40 IKAB CCCCCN1CC(=O)N2[C@@H](Cc3c([nH]c4ccccc34)[C@H]2c2ccc(C(C)C)cc2)C1=O 2093260 KGDQUXCNFWNAFW-RPLLCQBOSA-N 443.591 5.166 0 40 IKAB biogenic O=c1cc(-c2cc3ccccc3oc2=O)c2ccc(OCc3ccc(F)cc3F)cc2o1 2125013 BJESGVYQXHHYFH-UHFFFAOYSA-N 432.378 5.424 0 40 IKAB biogenic O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1cccc(OCc2ccccc2)c1 2187751 OBJBSFTYEUSUMS-STZFKDTASA-N 434.289 5.373 0 40 IKAB Cc1cccc(S(=O)(=O)c2c(N)n(CCC3=CCCCC3)c3nc4ccccc4nc23)c1 2214571 PJAXGDSDCKZLOG-UHFFFAOYSA-N 446.576 5.198 0 40 IKAB CC(C)CCSc1nnc2n(C3CCCCC3)c(=O)c3c4c(sc3n12)CCCC4 2289356 MBBMWBRGLGYMPS-UHFFFAOYSA-N 430.643 5.628 0 40 IKAB CCc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(C)cc2)N3)cc1 2307286 ZVIOTJWWILRXAX-ICSRJNTNSA-N 428.458 5.667 0 40 IKAB CCc1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)c1 2416575 CWVFPELICXVAFD-UHFFFAOYSA-N 438.940 5.390 0 40 IKAB CSc1nc(NC[C@H]2CCCO2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4 2426689 JQGNBPXFPCDJSF-CYBMUJFWSA-N 428.627 5.240 0 40 IKAB CC(C)Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(Br)cc1 2721802 IDAUBFCJBXGPIB-UHFFFAOYSA-N 444.397 5.499 0 40 IKAB C[C@H](Sc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 2721858 MXGBKYKQFLXFBJ-AWEZNQCLSA-N 445.949 6.274 0 40 IKAB CCCCOc1ccc(C(=O)Nc2scc(-c3ccc(Cl)cc3)c2C(=O)OC)cc1 2752220 SWAMDELTKVRABS-UHFFFAOYSA-N 443.952 6.286 0 40 IKAB O=C(CSc1nc(-c2ccco2)cc(C(F)(F)F)n1)Nc1ccc(C(F)(F)F)cc1 2798819 FQIKBTBKINBTLF-UHFFFAOYSA-N 447.360 5.505 0 40 IKAB Clc1ccc(-c2cc(-c3ccc4ccccc4c3)nc(-c3ccc4ccccc4c3)c2)cc1 3014110 VMCSAFMHVWUBLM-UHFFFAOYSA-N 441.961 9.042 0 40 IKAB Cn1nc(CSc2ccccc2)c(CSc2cccc(Cl)c2Cl)c1Cl 3105912 HVCVSLCBNFPWEQ-UHFFFAOYSA-N 429.825 6.965 0 40 IKAB Cc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)c(C)c1 3207490 AIBAGVXRGHGPIO-UHFFFAOYSA-N 449.359 5.663 0 40 IKAB O=C(CSc1nnc([C@H]2COc3ccccc3O2)o1)c1ccc(-c2ccccc2)cc1 3220928 NVKJFVICBJRYPS-JOCHJYFZSA-N 430.485 5.224 0 40 IKAB COc1ccc2c(Cl)c(C(=O)OCC(=O)Nc3ccccc3F)sc2c1Cl 3222852 VCMNTFPNGZYBEX-UHFFFAOYSA-N 428.268 5.151 0 40 IKAB O=C(c1cccs1)c1coc(-c2ccc(Cl)cc2)c1S(=O)(=O)c1ccccc1 3849340 SEYHOQHOZASYFG-UHFFFAOYSA-N 428.918 5.725 0 40 IKAB biogenic CC(C)c1cccc(C(C)C)c1NC(=O)c1ccccc1OCc1cn2ccccc2n1 7318781 YBYMZFDYUJUTSA-UHFFFAOYSA-N 427.548 6.412 0 40 IKAB CC[C@@H](NC(=O)c1ccc(OCc2c(C)noc2C)cc1)c1ccc(Br)cc1 8718963 NQDXMXJPKJVDNR-OAQYLSRUSA-N 443.341 5.514 0 40 IKAB CCCOc1ccc(-c2nc(Nc3ccc(Br)cc3)c3ccccc3n2)cc1 9353205 COGDRHMHBDFSLP-UHFFFAOYSA-N 434.337 6.592 0 40 IKAB CCOc1ccccc1Oc1c[nH]nc1-c1ccc(OCc2cccc(OC)c2)cc1O 9410808 XUQDIBKDLQBZSJ-UHFFFAOYSA-N 432.476 5.561 0 40 IKAB Cc1cc(N2C(=O)c3oc4c(Cl)cc(Cl)cc4c(=O)c3[C@@H]2c2ccccc2)no1 9449359 WPYRHWSBIRQQJI-KRWDZBQOSA-N 427.243 5.146 0 40 IKAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(-c3c[nH]c4ccccc34)n2C2CC2)cc1 9496385 ASSDUXVQXPCGBO-AWEZNQCLSA-N 445.548 5.083 0 40 IKAB CCOc1cccc2c1N(C(=O)CSc1nnc(-c3ccccc3)o1)C(C)(C)C=C2C 9938321 WNYAOEOGIGNGQQ-UHFFFAOYSA-N 435.549 5.456 0 40 IKAB O=C(CCc1csc(NC(=O)c2ccc(F)cc2)n1)Nc1ccc(Cl)c(Cl)c1 11835124 HAKTUTQBWKNEIH-UHFFFAOYSA-N 438.311 5.413 0 40 IKAB CCOC(=O)c1ccc(NC(=O)CSc2nc3ccccc3nc2-c2ccccc2)cc1 12138910 QAEPCNVBCUTXFN-UHFFFAOYSA-N 443.528 5.204 0 40 IKAB COc1ccc(-c2nc(C(F)(F)F)n3ccc4cc(OC)c(OC)cc4c23)cc1OC 12371360 CDFHWROIUQANBW-UHFFFAOYSA-N 432.398 5.208 0 40 IKAB O=C(Nc1ccc(Cl)cc1Cl)C1CCN(C(=O)c2cccc3ccccc23)CC1 12747576 AZNBPSAIJZYWLW-UHFFFAOYSA-N 427.331 5.638 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1NC(=O)c1ccco1 12749077 MBMMOFMUBOXLNS-UHFFFAOYSA-N 446.890 6.538 0 40 IKAB Brc1ccc([C@H]2OC(c3cccs3)=Nc3cc4c(cc32)OCCO4)cc1 12854853 NDJBKEQTMHAMPM-LJQANCHMSA-N 428.307 5.480 0 40 IKAB COc1ccc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)cc1 13006159 UDEVPVDKAJSHIC-UHFFFAOYSA-N 429.320 5.171 0 40 IKAB Cc1csc(SCc2ccccc2C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)n1 13097486 VTRVNMOUHVWNOM-INIZCTEOSA-N 437.586 5.661 0 40 IKAB CN(Cc1ccc(Cl)c(Cl)c1)C[C@@H](NS(=O)(=O)c1ccccc1)c1ccccc1 13133833 GEBKAFQGNQYEQF-JOCHJYFZSA-N 449.403 5.145 0 40 IKAB C[C@@H](Sc1ccc(NC(=S)Nc2ccccc2)cc1)C(=O)N1c2ccccc2C[C@H]1C 13579165 IIOAHCKQGJYWKY-QZTJIDSGSA-N 447.629 5.954 0 40 IKAB O=C(NCc1ccc(-c2nc3ccccc3s2)cc1)c1ccc(-c2cccc(F)c2)o1 13946346 XAKYJCQSFGFUSJ-UHFFFAOYSA-N 428.488 6.292 0 40 IKAB COc1ccccc1C1=NN(c2ccc(Cl)c(Cl)c2)[C@H](c2ccc(Cl)cc2)C1 15188062 ZKLQWDWUKUGDOL-NRFANRHFSA-N 431.750 7.011 0 40 IKAB O=C(Nc1ccccc1Oc1ccccc1Cl)c1ccccc1I 15711252 TUYKBCVFGRTWCF-UHFFFAOYSA-N 449.675 5.989 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(OCC(C)C)cc4)cc3)nc2c1 19636588 YGCJMMSZUYQGOA-IBGZPJMESA-N 442.559 7.295 0 40 IKAB CCCCC(=O)NC(=S)Nc1cc2nn(-c3ccc(CCCC)cc3)nc2cc1Cl 19639645 IPIVNIYWOXMSJX-UHFFFAOYSA-N 444.004 5.420 0 40 IKAB COc1ccc([C@H](C)NC(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)cc1OC 20451897 GCTWJSCXPUIBMF-INIZCTEOSA-N 441.980 6.141 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(C)c2)c2ccc(C(C)C)cc2)cc1 22275708 FZEZCPMMTNXVOB-UHFFFAOYSA-N 436.577 5.261 0 40 IKAB COc1cc(C2SCCS2)ccc1OC(=O)Cc1nc(-c2cccs2)oc1C 25030332 YAZZCUWQNVJEED-UHFFFAOYSA-N 433.576 5.347 0 40 IKAB CN(C)[C@H](CNC(=O)CCc1ncc(-c2ccccc2Cl)o1)c1ccccc1Cl 27348232 YOYXVXHAYFSKBT-LJQANCHMSA-N 432.351 5.000 0 40 IKAB C[C@H](NC(=O)c1ccccc1CSc1nc2ccccc2o1)c1ccc2c(c1)OCO2 27692415 OGGAQQHOIPGHLV-HNNXBMFYSA-N 432.501 5.340 0 40 IKAB CCCOc1ccc(C(=O)NC[C@H](c2ccc(OC)cc2)c2c[nH]c3ccccc23)cc1 27744627 XEZOHOCEAPFNBP-XMMPIXPASA-N 428.532 5.527 0 40 IKAB CSc1nnc(S[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)s1 32944962 AEKOOTGQRBEHQT-CQSZACIVSA-N 441.525 5.751 0 40 IKAB COc1c(Br)cc(C(=O)Nc2cccc(C)c2)cc1OCc1ccccc1 33386017 KPAAZBLDADTGHV-UHFFFAOYSA-N 426.310 5.597 0 40 IKAB Cc1ccc(CSc2nnc([C@@H](NC(=O)c3ccc(Cl)cc3)C(C)C)n2C)cc1 34897061 HULQDVNHEIZXDC-IBGZPJMESA-N 428.989 5.196 0 40 IKAB O=C(Nc1cccc(Br)c1)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38833933 CIHXZHHIVKVUBJ-CQSZACIVSA-N 442.184 5.607 0 40 IKAB Cc1ccc(-n2c(-c3ccc(Cl)c(Cl)c3)cnc2SCC(=O)NC(C)C)cc1 44086616 ZXBMEYJVEFZASY-UHFFFAOYSA-N 434.392 5.771 0 40 IKAB O=C(CSc1ncc(-c2ccccc2)n1-c1ccc(OC(F)F)cc1)N1CCCCC1 44088098 XZSQYPIVCYSXEE-UHFFFAOYSA-N 443.519 5.245 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c(C)c1 44848401 UOVLOPKCPNPYIN-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB COc1cc2nc(C(=O)N3CCC[C@H](C)C3)cc(Nc3cc(C)cc(C)c3)c2cc1OC 48989319 AMYKHYNSNIMXGR-INIZCTEOSA-N 433.552 5.485 0 40 IKAB O=C(NCc1ccc(-c2ccc(Br)cc2)o1)c1cccc2c(Cl)cccc12 57317032 CLDUFWPFEZSCSZ-UHFFFAOYSA-N 440.724 6.446 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)NCCCc1nc(C(C)C)no1 57990960 KKFHKPHTNCFEKD-UHFFFAOYSA-N 438.475 5.006 0 40 IKAB Cc1ccc(F)c(C(=O)OCC(=O)Nc2c(Cl)c(Cl)cc(Cl)c2Cl)c1N 64191865 CRMCKMOKEFFJNZ-UHFFFAOYSA-N 440.085 5.125 0 40 IKAB COc1ccc(C2=NN(C(=S)Nc3ccccc3)[C@@H](c3cccc4nccnc34)C2)cc1 72314559 QUNOUTVJOCJPCO-HSZRJFAPSA-N 439.544 5.187 0 40 IKAB Cc1ccc2c(-c3cc4c(CN5CCCC[C@@H]5CCO)cnc(C)c4o3)cc(=O)oc2c1C 95473924 LRQLXFRGJMDLSR-HXUWFJFHSA-N 446.547 5.263 0 40 IKAB O=C(OCc1c(Cl)cccc1Cl)c1cccc(N2C(=O)[C@H]3CCCC[C@@H]3C2=O)c1 100391286 UFXZKLYTAORNIR-HOTGVXAUSA-N 432.303 5.030 0 40 IKAB CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H]([n+]5ccccc5)CC[C@]4(C)[C@H]3CC[C@@]21C 118929605 XXQASABQMMKQBU-BSIBRXHZSA-N 448.759 8.557 0 40 IKAB CC[C@@H](NC(=O)c1cccc(N(C)S(=O)(=O)c2ccccc2)c1)c1ccc(C)cc1C 222539024 PBVCUKVYSNGUHA-XMMPIXPASA-N 436.577 5.010 0 40 IKAB Cc1cccc(CN(C(=O)CSCc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)c1 222714310 PEMSJELLBXYPAS-SFHVURJKSA-N 447.044 5.214 0 40 IKAB O=C(NCCOc1cccc2ccccc12)c1ccc(CSc2ccc(Cl)cc2)cc1 223508645 PMPMJISAZJTHPW-UHFFFAOYSA-N 447.987 6.594 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccccc1 223541548 APUIRDJZBWBBBN-HXUWFJFHSA-N 435.395 5.258 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)Cc1cc(C)cc(C)c1 223794546 SDHGIMQCFNMPDA-QHCPKHFHSA-N 429.004 5.223 0 40 IKAB Cc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2F)cc1C 224275954 SWAHSJCJQOOXJZ-JWQCQUIFSA-N 442.563 5.805 0 40 IKAB CC(C)CNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccccc1C(C)C 224277002 FBQGPXQABVHGGZ-IBGZPJMESA-N 445.003 5.032 0 40 IKAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1COc1cccc2ccccc12 224308808 BEDHPQAAXQJPIC-SFHVURJKSA-N 429.491 6.058 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1C)C(=O)Cc1ccc(Cl)cc1Cl 224592120 DTDFXEPNCVZZSY-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(Cl)cc2)cc1CSc1ccc(C)cc1 224668963 ZLUFKARAZUFFEG-GOSISDBHSA-N 440.008 6.830 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCSc1ccc(C)cc1 225174584 BCZMPGISUFVYCR-MOPGFXCFSA-N 447.044 5.463 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)COc1ccc(C)cc1C 225612314 SRCURNGNARYWMC-SIKLNZKXSA-N 445.003 5.058 0 40 IKAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(CSc3ccccc3)cc2)C1 225728486 RIBFBARKFQIBKY-BGYRXZFFSA-N 427.683 5.633 0 40 IKAB O=C(N1CCC[C@H](Cc2cccc3ncccc23)CC1)C1(Cc2ccccc2)CCOCC1 257272406 NCGZPJGMIHXYLP-QHCPKHFHSA-N 442.603 5.446 0 40 IKAB O=C(c1cc(-c2ccccc2F)n[nH]1)N1CCCC[C@@H]1c1ncc(Cc2ccc(F)cc2)o1 257338216 YWLUXEHAZPRRCC-HSZRJFAPSA-N 448.473 5.301 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3cccc4ccccc34)nn2-c2cccc(C)c2C)c1 408698394 NHHOOQABGUPJOU-UHFFFAOYSA-N 432.527 6.265 0 40 IKAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc3nc(SCc4ccc(F)cc4)sc3c1)[C@H]1C=C[C@H]2C1 408748654 BONLIQDRRXLZHR-FEBSWUBLSA-N 436.533 5.039 0 40 IKAB CCOc1ccc(-n2c(SCc3cccc(F)c3)nnc2-c2ccc(Cl)cc2)cc1 409099464 SSGBGXKRZZZGKN-UHFFFAOYSA-N 439.943 6.418 0 40 IKAB COc1ccc(-n2c(SCc3cccc(Cl)c3)nnc2-c2ccc(Cl)cc2)cc1 409101409 BRIDRHYQMGXIPN-UHFFFAOYSA-N 442.371 6.542 0 40 IKAB CC(C)c1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(F)c(Cl)c3)C2=O)cc1 409225704 NYWRALTUBOOKNQ-GIJQJNRQSA-N 432.904 5.278 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3cccc(F)c3)c(Cl)c2)C1=O 409247405 HCLWBQUHLHIABQ-LICLKQGHSA-N 440.323 6.158 0 40 IKAB CCCc1cnc(Nc2cc(C)nc(C3CCN(C(=O)C4CCCCC4)CC3)n2)s1 585263382 GNDYHBDPZWIOEE-UHFFFAOYSA-N 427.618 5.224 0 40 IKAB Cc1cc(OCC2(O)CCN(C[C@]3(O)CC[C@@H](C(C)(C)C)CC3)CC2)cc(C)c1Cl 585287848 TVOCUFRLSRHBPH-RZJSWYKGSA-N 438.052 5.130 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)Nc2ccc(Cl)cc2)cc1 869109 ILIBWRHTMSUCPQ-UHFFFAOYSA-N 448.979 5.551 0 40 IKAB CC(C)Cc1cc(C(F)(F)F)nc(NNc2nc(CC(C)C)cc(C(F)(F)F)n2)n1 1570696 FWYKSQYUZUMWLC-UHFFFAOYSA-N 436.404 5.140 0 40 IKAB O[C@@H](CN1c2ccccc2Sc2ccccc21)CN(C1CCCCC1)C1CCCCC1 1801031 FXLFZOHESFVIIP-HSZRJFAPSA-N 436.665 6.618 0 40 IKAB Cc1cccc(C)c1NC(=O)c1cc(-c2ccccc2)nc2c(C)cc(Br)cc12 2079556 UQISLXDSGDEHRJ-UHFFFAOYSA-N 445.360 6.842 0 40 IKAB CC[C@@H](C(=O)Nc1ncc2c(n1)C[C@H](c1ccc(C(C)C)cc1)CC2=O)c1ccccc1 2413778 YKPYEZOQJABUCN-FCHUYYIVSA-N 427.548 5.645 0 40 IKAB O=C(CSc1nn(-c2ccc(F)cc2)c(=S)s1)N[C@@H]1CCCc2ccccc21 2629324 GWSQKZSRUNISRE-QGZVFWFLSA-N 431.583 5.088 0 40 IKAB CC[C@@H]1CCc2c(sc(NC(=O)[C@@H](C)Oc3ccc(Cl)cc3C)c2C(=O)OC)C1 2737227 ZUZBRSHBRVJLAO-ZIAGYGMSSA-N 435.973 5.417 0 40 IKAB COC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccccc1Cl 2889770 VGTLBSNZEOMGDT-UHFFFAOYSA-N 429.925 5.489 0 40 IKAB CCCCC[C@H]1[C@@H](c2ccccc2)N(C)[C@H](c2ccccc2)C[C@]1(O)c1ccccc1OC 4099989 INXGAHHQCIHNOR-HYHZCSIDSA-N 443.631 6.897 0 40 IKAB CCCn1c(S[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)nnc1-c1cccc(C)c1 5155756 XMQSCFMDPFBBLF-IAGOWNOFSA-N 426.561 5.161 0 40 IKAB Clc1ccc(SCCCCCCCCCCSc2ccc(Cl)cc2)cc1 5811733 JFIVMFNVXWUYGJ-UHFFFAOYSA-N 427.506 8.999 0 40 IKAB CCCCCCc1cc2cc(C(=O)Nc3ccc(Br)cc3)c(=N)oc2cc1O 8440671 OKCNRXJZAVVMLK-UHFFFAOYSA-N 443.341 5.755 0 40 IKAB O=C(C1CCCCC1)N(Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3)Cc1cccs1 8586281 CDODWQHAYWCATG-UHFFFAOYSA-N 441.622 5.034 0 40 IKAB COc1ccc(Nc2nnc(SCC(=O)Nc3cccc(Cl)c3Cl)s2)cc1 8871587 JIMUUEFFYJDFPA-UHFFFAOYSA-N 441.365 5.328 0 40 IKAB Cc1ccc(C)c([S@@](=O)CC(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)c1 8925801 IIEMZTDDLUIKAO-HHHXNRCGSA-N 439.389 5.480 0 40 IKAB COc1ccc(C(=O)c2oc3ccc(NC(=O)c4ccc(OC)c(OC)c4)cc3c2C)cc1 8991118 DCMICLBFPXRIEM-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic Nc1c(C(=O)Nc2ccc(Cl)cc2)sc2nc3c(c(-c4cccs4)c12)CCC3 9380768 CHAQIZROMWFAIX-UHFFFAOYSA-N 425.966 6.001 0 40 IKAB CCCCSc1nnc(Cn2c(=O)sc3ccccc32)n1-c1cccc(Cl)c1 9382902 UFDDUJYKPKUIJN-UHFFFAOYSA-N 430.986 5.238 0 40 IKAB O=C(CSc1nnc(-c2ccc(Cl)cc2)n1Cc1ccco1)NCC1CCCCC1 9508158 BWWOTJJJXJTFLL-UHFFFAOYSA-N 444.988 5.028 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)n2C)cc1 9602915 GVIYLUMSVWIYLI-OAQYLSRUSA-N 448.523 5.102 0 40 IKAB COc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3OC)nc3ccccc32)cc1 9662736 JIUYLZDZNULUOW-MRXNPFEDSA-N 433.533 5.162 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3ccc4c(c3)OC3(CCCCC3)O4)o2)cc1 9782256 XSYYEQLYCUFOHX-UHFFFAOYSA-N 437.521 5.207 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1OC 9972602 RXOPJDMCEVTVTD-JFENUBAZSA-N 449.931 5.902 0 40 IKAB CCC(CC)n1c(COc2ccccc2Cl)nnc1SC[C@@H](O)c1ccccc1 11713341 KEGLDSFGTKQDLR-LJQANCHMSA-N 431.989 5.697 0 40 IKAB Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(C(F)(F)F)cc4)c3)csc2n1 11768163 UHEOBLRJFUKAJD-UHFFFAOYSA-N 429.423 5.003 0 40 IKAB Cc1ccc(NC(=O)N(CC(=O)O[C@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)C2CCCCC2)cc1 12321020 FFZPKBOIZNYVTR-NDIWIEOSSA-N 426.601 5.920 0 40 IKAB COc1ccc(OC)c([C@@H]2c3cccn3CCN2C(=O)Nc2ccc(Cl)c(Cl)c2)c1 12344321 NRMYXZZQPFRZKH-OAQYLSRUSA-N 446.334 5.449 0 40 IKAB COc1cc(C(=O)NC2=Nc3ccccc3NC(C)=C2c2ccccc2)cc(OC)c1OC 12402624 DHZPPHSVMPOIEN-UHFFFAOYSA-N 443.503 5.029 0 40 IKAB Cn1c(CN[C@H](C(=O)Nc2cccc(C(F)(F)F)c2)c2ccccc2)nc2ccccc21 12506993 DHOWYTAKIWCGKE-QFIPXVFZSA-N 438.453 5.062 0 40 IKAB COc1ccc(CCSc2nc3cc(C(F)(F)F)ccc3n2Cc2ccccc2)cc1 12550076 YSZWFLUYDUNGPV-UHFFFAOYSA-N 442.506 6.447 0 40 IKAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccc(OCc4ccccc4)cc3)C[C@@H]2C)c1 12551599 JLYCXJWRLSBINT-GOTSBHOMSA-N 443.591 5.112 0 40 IKAB Cc1ccc(C(=O)[C@H](OC(=O)CCc2nc3ccccc3s2)c2ccc(C)cc2)cc1 12565579 UPJXVMLJSCVNFZ-AREMUKBSSA-N 429.541 6.013 0 40 IKAB CCC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2Br)c1C 13017962 DRQWJHMUJXCLHJ-GFCCVEGCSA-N 439.737 5.165 0 40 IKAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)N[C@H](c1ccccc1)c1cccs1 13021147 CFHFDRSNDWIQQR-JOCHJYFZSA-N 431.517 5.182 0 40 IKAB Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2ccc(C(N)=O)cc2)cc1 13029130 ZAYVOJQEACSXMW-UHFFFAOYSA-N 427.529 5.066 0 40 IKAB Cc1cc(-c2csc(NC(=O)CCCOc3ccc(C(C)(C)C)cc3)n2)c(C)n1C 13042304 GLKCIAJRNGIDAC-UHFFFAOYSA-N 425.598 5.861 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccccc3)nnc2-c2cccc(OC)c2)cc1 13129875 VYXGROTVUWOMFY-UHFFFAOYSA-N 445.544 5.317 0 40 IKAB C[C@H](NC(=O)CSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 13141242 NCLMZHYUJGFOEQ-KRWDZBQOSA-N 440.638 5.405 0 40 IKAB CCn1c(SCc2c(C)cc(C(C)(C)C)cc2C)nnc1-c1ccc(Cl)cc1Cl 13145733 MIIIZTVXUWEOIY-UHFFFAOYSA-N 448.463 7.478 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=O)c4cc5ccccc5oc4=O)ccc3Cl)nc2c1 13370539 ITQPRWCSUZIEFG-UHFFFAOYSA-N 444.874 6.124 0 40 IKAB Cc1ccccc1CSCCNC(=O)c1ccc(OCc2ccccc2Cl)cc1 13687660 HLBUIPUVKHYWMQ-UHFFFAOYSA-N 425.981 5.891 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3c(C)cc(C)cc3C)ccc2Cl)c1 14155781 QSBMHVLFGSHPAY-UHFFFAOYSA-N 442.968 5.627 0 40 IKAB O=C(Nc1ccccc1F)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1 15422196 JAMNZPAYPYIMON-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](c2cccc(Cl)c2)N2CCOCC2)c1C 15441193 BIIRPDXSLBRLMA-QFIPXVFZSA-N 440.996 5.692 0 40 IKAB O=C(O[C@H](C(=O)c1ccccc1)c1ccc(Cl)cc1)c1ccc(Br)cc1 16451271 CDZIYQLDFWRBNF-FQEVSTJZSA-N 429.697 5.884 0 40 IKAB COc1cccc(-c2nnc(SCc3nc4ccccc4[nH]3)n2-c2ccc(Cl)cc2)c1 16789124 IUWDYBLVSPVRGE-UHFFFAOYSA-N 447.951 5.765 0 40 IKAB CC(C)(C)N1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CC1=O 16902465 YMCSKWXVNOOGND-GOSISDBHSA-N 439.987 5.663 0 40 IKAB CCC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17096321 ODWZPJVZOMRICJ-CSKARUKUSA-N 429.303 6.254 0 40 IKAB O=C(Nc1ncn(Cc2cccc(C(F)(F)F)c2)n1)Nc1ccc(Cl)cc1Cl 17096740 HPEMZOSKJBOZEF-UHFFFAOYSA-N 430.217 5.296 0 40 IKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccc(Cl)cc3Cl)o2)n1 17097829 OIKIMTBGHGQKDR-JXMROGBWSA-N 432.332 5.483 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)c3)oc2c1 17099837 ROWFRJLDNMLLSD-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB COc1ccccc1C(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)c1cccc(C)c1C 17181049 GCWOHFVXRZUFGQ-UHFFFAOYSA-N 426.516 5.309 0 40 IKAB O=C(c1ccccc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3ccc(F)c(F)c3)CC[C@@H]21 19368998 LXJONGLJLBGLCA-HFMPRLQTSA-N 438.543 5.157 0 40 IKAB CC(C)OCc1ccc(C(=O)N2CCC[C@@H](c3cc4nc(C(F)(F)F)ccc4[nH]3)C2)o1 19450470 LJFQMYGQIZNSNF-CQSZACIVSA-N 435.446 5.120 0 40 IKAB CC[C@H](C)c1ccc2oc(-c3ccc(NC(=O)c4ccc(O[C@H](C)CC)cc4)cc3)nc2c1 19636561 LJQQSQSIPGQZST-RBUKOAKNSA-N 442.559 7.438 0 40 IKAB COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1OCc1ccccc1 19900068 QERBRLODQHLNMO-UHFFFAOYSA-N 430.592 5.025 0 40 IKAB Cc1ccc(SCCC(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20487236 IHIVDPSCIBEYOM-UHFFFAOYSA-N 446.616 6.666 0 40 IKAB C/C=C/c1ccc(OCCCn2c([C@H]3CCCN3C(C)=O)nc3ccccc32)c(OC)c1 21787563 OLAASAKHPJMBDJ-UZHKBWCJSA-N 433.552 5.231 0 40 IKAB Cc1cc(-c2nc(C)sc2CC(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)c(C)s1 25050195 SBUJHGIZDRJBCZ-LBPRGKRZSA-N 438.540 6.236 0 40 IKAB CC[C@@H](NC(=O)c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1Cl)c1ccccc1 30854405 RPHNVWQITAZSEW-JOCHJYFZSA-N 442.968 5.330 0 40 IKAB COc1ccccc1C1=NN(C(=O)c2ccccc2Cl)[C@H](c2ccc3nccnc3c2)C1 32936395 WXYZQPPNRRMUSP-QHCPKHFHSA-N 442.906 5.283 0 40 IKAB O=C(Nc1cccc(Cl)c1N1CCCC1)c1ccc(-c2ccc(Br)cc2)o1 34890225 FZFWGBNVUSARNO-UHFFFAOYSA-N 445.744 6.215 0 40 IKAB CCOc1ccc(C2=NN3[C@H](c4cccc(OC)c4)Oc4c(OC)cccc4[C@H]3C2)cc1 36352250 HAOLSZMHWDKLOT-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB CCc1cc(C(=O)Nc2ccc(C)c(F)c2)c2c(C3CC3)nn(Cc3ccccc3)c2n1 36621654 ZQYBTFFUDOWYDK-UHFFFAOYSA-N 428.511 5.619 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38835010 WSJIWEBSWOQVJR-ZDUSSCGKSA-N 432.178 6.151 0 40 IKAB Cc1nnc(SCc2c(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)oc3ccccc23)s1 58245168 XQEGBCUDCYPUMG-JKSUJKDBSA-N 427.595 5.537 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nc3ccc(NC(=O)c4ccccc4)cc3s2)c1 59010444 GSUXNQPDCPDCPR-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB Cc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cccc(Br)c2)cc1Cl 59483702 XDJNEUJFTAKCEW-HXUWFJFHSA-N 427.729 6.182 0 40 IKAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 71926951 SDBPPCOIIWRLQA-IBGZPJMESA-N 436.533 5.184 0 40 IKAB CC(C)c1oc([C@H]2CCCN2S(=O)(=O)N(C)C2CCCCC2)nc1-c1ccccc1 72307384 OMFXVXZAGILXCP-HXUWFJFHSA-N 431.602 5.111 0 40 IKAB COc1ccc(C2=NN3[C@H](C2)c2cc(Cl)ccc2O[C@@H]3c2cc(F)ccc2Cl)cc1 72332616 OOEJEUARCWJDAD-FYYLOGMGSA-N 443.305 6.383 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)noc1-c1conc1-c1c(Cl)cccc1Cl 96319538 GQKURMYDTCKETE-UHFFFAOYSA-N 429.259 6.147 0 40 IKAB CCCSc1nc2cc(OC)c(OC)cc2c(=N)n1Cc1cccc(C(F)(F)F)c1 100325552 LTUXZTUAHODHRR-UHFFFAOYSA-N 437.487 5.102 0 40 IKAB CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)[C@H](O)CCC(C)C)[C@@]4(C)CC[C@@H]32)C1 118929411 WICQHKDZHVVRAU-VMWIDKGESA-N 444.700 6.930 0 40 IKAB CCSc1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 216428001 ZGUPNYIHRODPKK-UHFFFAOYSA-N 446.981 5.505 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCSCc1ccccc1 222607295 NCJQPPPUVARMDG-XUZZJYLKSA-N 440.653 5.075 0 40 IKAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222975449 RTLMYEUUKVRYJL-NHCUHLMSSA-N 444.526 5.664 0 40 IKAB CC[C@@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccc(C)c(C)c1 223959027 YXQHLNNZVXROLI-XMMPIXPASA-N 436.577 5.294 0 40 IKAB CSc1cccc(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Cl)cc3)c2)c1 224031151 ZSSMYZVVZNNHJX-UHFFFAOYSA-N 432.954 5.115 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CCc1ccccc1Cl 224192475 OQOFRYAMODZPFD-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 224245162 KVPWJJZKLFWJLD-RUZDIDTESA-N 448.994 5.049 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(O)cc2)c1 224312348 ARXQGEAAKZNVGJ-DQEYMECFSA-N 440.572 5.372 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2ccn(C3CCCCC3)c2)cc1 224352348 XBLVMCHGXBZMDE-JWQCQUIFSA-N 430.621 6.128 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CC(c1ccccc1)c1ccccc1 224695799 RUGQKVQOXVDFOR-QHCPKHFHSA-N 442.603 5.461 0 40 IKAB CCCCOCc1cc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)ccc1OCC 224730503 YXEUFVHVCSBARY-UHFFFAOYSA-N 430.976 5.018 0 40 IKAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1cc(C)cc(C)c1 224778207 VSLJQQRWQPHFAM-IBGZPJMESA-N 447.044 5.134 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 224845203 IGOKTHGDCLPYBZ-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)cc1 225086804 KJPQQNZWTSPHRL-DEOSSOPVSA-N 441.015 5.447 0 40 IKAB O=C(c1ccc(Cl)cc1)N1CCS/C1=C/c1csc(NCc2ccccc2)n1 225255888 IYVAAXCXZWMGCE-XDHOZWIPSA-N 427.982 5.596 0 40 IKAB Cc1ccc(-c2cccc(CC3(C(=O)NCC(C)(C)CN(C)C)CCOCC3)c2)c(C)c1 257315415 VBFOZHNZSLYCAP-UHFFFAOYSA-N 436.640 5.014 0 40 IKAB CCc1ccc(OCC(=O)O)c(-c2cc(-c3cccc(F)c3)n(CCc3ccccc3)n2)c1 257322267 WFGMMJAFMFBDFA-UHFFFAOYSA-N 444.506 5.625 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCC[C@H]3c3ncc(Cc4cccc(F)c4)o3)on2)c1 257325685 WTZWNACYJFTGQE-QFIPXVFZSA-N 447.466 5.045 0 40 IKAB CCCOc1c(Cl)cc(C(=O)Nc2ccc(Oc3ccc(C)cc3)cc2)cc1OC 408625108 WVBALWUHEGNNOD-UHFFFAOYSA-N 425.912 6.490 0 40 IKAB CCc1cc(Br)ccc1NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 408646777 WJIZTWORJDSGPW-QGZVFWFLSA-N 437.337 5.156 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3c(C)cccc3Cl)nn2-c2ccc(C)c(C)c2)cc1 408696540 CBLUVFHZKCDWMU-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(c3ccccc3)C2=O)ccc1OCc1cccc(C)c1 408831495 ZRYVSWKUZBKSBQ-JLPGSUDCSA-N 445.540 6.214 0 40 IKAB CCc1ccccc1NCc1cc(Br)ccc1OCc1cccc2ccccc12 409115319 IQTLUMSRWBNTHQ-UHFFFAOYSA-N 446.388 7.356 0 40 IKAB O=C(CCc1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1cccc2ccccc12 409197672 LVLNIJBLBUWPJY-UHFFFAOYSA-N 436.577 5.022 0 40 IKAB CC(C)Oc1ccccc1-c1ccc(C(=O)O)c(CCc2cc(Cl)cc(Cl)c2)n1 585265972 WIWZWYVEGVECNW-UHFFFAOYSA-N 430.331 6.326 0 40 IKAB COc1cccc([C@@H]2Oc3cccc(-c4c(OC)cccc4OC)c3P2C(C)(C)C)n1 1772769065 OMRMWFIEDFJLAJ-LZDHLTRGSA-N 437.476 5.771 0 40 IKAB Cc1c(Cl)cccc1NC(=O)c1sc2nc3c(c(-c4ccco4)c2c1N)CCCC3 715927 AETIAAFURLLYNX-UHFFFAOYSA-N 437.952 6.231 0 40 IKAB CCCC(=O)N1c2ccccc2[C@H](N(C(=O)c2ccc(F)cc2)c2ccccc2)C[C@H]1C 725716 CVIRNRVIYGCZGX-KBMIEXCESA-N 430.523 6.139 0 40 IKAB C[C@H](Sc1nc(-c2ccccc2)cc(C(F)(F)F)n1)C(=O)Nc1ccc2c(c1)OCO2 900813 VMGNMCSPIGYNRD-LBPRGKRZSA-N 447.438 5.010 0 40 IKAB COc1ccc2nc(-c3ccccc3)nc(SCC(=O)Nc3ccc(N(C)C)cc3)c2c1 906265 BMWBUBOOOPQYRL-UHFFFAOYSA-N 444.560 5.102 0 40 IKAB CCOC(=O)COc1cc2oc(C(F)(F)F)c(Oc3ccccc3)c(=O)c2cc1CC 947941 AADZIYYPCQEYCO-UHFFFAOYSA-N 436.382 5.108 0 40 IKAB O=C(CSc1ncnc2sc(-c3ccccc3)cc12)c1ccc(OC(F)F)cc1 1006923 KALLSMPKSFMJAM-UHFFFAOYSA-N 428.485 5.935 0 40 IKAB Cc1cccc(C(C)C)c1NS(=O)(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 1048715 VHVZXUPCKQNRBU-UHFFFAOYSA-N 425.394 5.957 0 40 IKAB Cc1cc(OCc2ccc(C(=O)N(Cc3ccccc3)Cc3ccccc3)o2)ccc1Cl 1083418 WRSFNQQPSCGFJR-UHFFFAOYSA-N 445.946 6.663 0 40 IKAB CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=O)Nc3ccccc3F)cc2c1 1327153 XZXVHYKDEQVFMZ-UHFFFAOYSA-N 435.524 5.525 0 40 IKAB CCc1ccccc1NC(=O)CSc1nc(COc2ccccc2)nc2ccccc12 1356085 MUNRXRFZYAOZMO-UHFFFAOYSA-N 429.545 5.502 0 40 IKAB O=C(N[C@H](Nc1cccc(Cl)c1Cl)C(Cl)(Cl)Cl)c1cccc(Cl)c1 2054608 LPGJHLGEVWLYMU-AWEZNQCLSA-N 446.976 6.185 0 40 IKAB Cc1ccc2nc(-c3cccc(NC(=O)c4cc(Br)ccc4Cl)c3)oc2c1 2056910 IEKVKXPJTTUTHM-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB Cc1cc2nc(-c3cc(NC(=O)c4ccc(Cl)c(Cl)c4)ccc3Cl)oc2cc1C 2056921 OSBXTCNZBJGWBJ-UHFFFAOYSA-N 445.733 7.324 0 40 IKAB COc1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)O2)c(OC)c1 2087691 JNSMSGKEJNFEBA-VXKWHMMOSA-N 426.310 5.697 0 40 IKAB Cc1ccc([C@H](Nc2ccccc2)P(=O)(OC2CCCCC2)OC2CCCCC2)cc1 2361798 FKURNLGZJPIJHL-AREMUKBSSA-N 441.552 7.997 0 40 IKAB COC(=O)Cc1c(C)c2cc(Cl)c(OCc3ccc(Cl)cc3Cl)cc2oc1=O 2378458 MFXXTLSKDPRKGR-UHFFFAOYSA-N 441.694 5.356 0 40 IKAB CN1C(=S)N(C)[C@@H](c2ccc(Cl)cc2)C(C(=O)Nc2ccccc2)=C1c1ccccc1 2616108 HDDZDLSQJOMDTH-QHCPKHFHSA-N 447.991 5.593 0 40 IKAB Cc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@@H]3c2ccc(C)cc2)cc1 2915345 JYJZEMKRIHSWLE-LOSJGSFVSA-N 440.934 5.761 0 40 IKAB Cn1c(-c2ccccc2)c(C(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c2ccccc21 3326028 COZHQBMACACMIW-UHFFFAOYSA-N 444.840 5.562 0 40 IKAB Cc1ccccc1Nc1c(-c2c(F)cccc2Cl)nc2ccc(Br)cn12 4793947 HSTJQHYFELKKCE-UHFFFAOYSA-N 430.708 6.608 0 40 IKAB CCOC(=O)C1=C(C(=O)OCC)[C@@H](c2ccccc2)N(c2ccccc2)[C@@H]1c1ccccc1 4822498 NHOFTFPUBOZDPJ-CLJLJLNGSA-N 441.527 5.412 0 40 IKAB Clc1cccc(Cl)c1[C@H]1ON=C(c2ccccc2)N1C12CC3CC(CC(C3)C1)C2 5941638 QJKYPKWPSHZWHV-DJKMCGLWSA-N 427.375 6.655 0 40 IKAB CC[C@@H](C)NC(=O)c1nn2c(c1Cl)N[C@@H](c1ccc(Cl)cc1)C[C@@H]2C(F)(F)F 6631942 SDYDJBWUOMWXJC-OASPWFOLSA-N 435.277 5.379 0 40 IKAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2Cc2c(F)cccc2Cl)CC1=O 8752194 YMJRHCCWXVGTOA-MRXNPFEDSA-N 449.913 5.406 0 40 IKAB Cc1nc(SCc2cc(=O)n3ccsc3n2)c2c(-c3cccs3)csc2n1 9284355 MCNCNIGFEGDJLB-UHFFFAOYSA-N 428.589 5.090 0 40 IKAB Cc1ccc2c(c1)[C@H]1CC(c3ccc(F)cc3)=NN1C1(CCN(Cc3ccccc3)CC1)O2 9308417 FTQXVYXQLLKKEA-AREMUKBSSA-N 441.550 5.670 0 40 IKAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(-c2ccc(Cl)cc2Cl)s1 9348212 XCJOEXOXKGSCPR-UHFFFAOYSA-N 434.135 6.463 0 40 IKAB O=C1[C@@H]2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C(=O)N1c1cccc2ccccc12 9456173 IKXHSWHUXBQRKK-UBFVSLLYSA-N 438.458 5.030 0 40 IKAB COc1ccc(-c2cc(-c3cc(C)ccc3C)nc3sc(C(C)=O)c(N)c23)cc1OC 9464092 WCUCLOFGLMRZGE-UHFFFAOYSA-N 432.545 6.049 0 40 IKAB Cc1sc2nc([C@H](C)Sc3nnc(Cc4cccs4)n3C3CC3)[nH]c(=O)c2c1C 9478237 IROHRPCGKUDQLV-LBPRGKRZSA-N 443.623 5.033 0 40 IKAB CCn1c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)nnc1-c1ccncc1 9494742 MNFCERWYGSHAAG-UHFFFAOYSA-N 442.759 5.051 0 40 IKAB COC(=O)c1c(SCc2cccc(C)c2)nc2ccccc2c1OCc1ccc(F)cc1 9640229 ILVLZCFCNBAJSY-UHFFFAOYSA-N 447.531 6.340 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)NCc3ccco3)n2C2CCCC2)cc1 9792252 XZZPZGUAUVFEGM-UHFFFAOYSA-N 438.597 5.359 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3s2)cc1S(=O)(=O)N1CCCCCC1 10381788 UOWQXDHEFAGUNS-ACCUITESSA-N 428.579 5.040 0 40 IKAB CCCCCOc1ccc(S(=O)(=O)N2CCN(c3ccccc3C)CC2)cc1C(C)C 11565918 HGKRUXDCWIOBRB-UHFFFAOYSA-N 444.641 5.198 0 40 IKAB CCc1cc2c(=O)c(-c3nc4ccccc4n3C)c(-c3ccc(Cl)cc3)oc2cc1O 11867613 AMAIZYYBRARMFE-UHFFFAOYSA-N 430.891 5.935 0 40 IKAB biogenic CC(=O)C1=NN(c2ccccc2Cl)[C@@]2(S1)c1ccccc1C(C)=NN2c1ccccc1 12436913 UVSQOFWKWRCZGI-XMMPIXPASA-N 446.963 5.850 0 40 IKAB CC1(C(=O)Nc2ccc(Cc3ccc(NC(=O)C4(C)CCCCC4)cc3)cc2)CCCCC1 12601278 XBKXJVPOQWKRKS-UHFFFAOYSA-N 446.635 7.095 0 40 IKAB CCOc1ccc(C(=O)N(C)[C@]2(c3ccccc3Cl)CCCCC2=O)cc1OCC 12680206 JETYQRWADLHQRU-DEOSSOPVSA-N 429.944 5.248 0 40 IKAB O=C(CCc1nnc(-c2ccsc2)o1)Nc1nc(-c2ccc3ccccc3c2)cs1 12773598 BGIQQTLVANJROC-UHFFFAOYSA-N 432.530 5.646 0 40 IKAB C[C@H](Oc1ccc(Br)cc1)C(=O)N1CCC[C@H](c2nc3ccccc3s2)C1 12932523 YLPUXFKYDDMTCF-GJZGRUSLSA-N 445.382 5.232 0 40 IKAB C/C(Cl)=C\CSc1nc2sc3c(c2c(=O)n1-c1cccc(C)c1)CC(C)(C)OC3 13552260 CIZWLGOBLZIFNE-RIYZIHGNSA-N 447.025 5.842 0 40 IKAB Cc1ccc2nc(-c3cc(NC(=O)COc4ccc(C(C)C)cc4)ccc3Cl)oc2c1 13946086 VPVPAFGDNHGGTD-UHFFFAOYSA-N 434.923 6.598 0 40 IKAB C[C@@H](NC(=O)/C=C/c1ccc(-c2cc(Cl)cc(Cl)c2)o1)C12CC3CC(CC(C3)C1)C2 14273206 PIRKVKAZPVUSRJ-FOVXMVQYSA-N 444.402 6.988 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cccc(S(=O)(=O)Nc2ccccc2F)c1 15435106 CKCGZWRRBIGSKV-UHFFFAOYSA-N 439.295 5.186 0 40 IKAB Oc1ccccc1C1=NC2(CCN(Cc3ccccc3)CC2)N[C@@H](c2ccccc2F)C1 15830566 LQDWAUZCWBQYCN-XMMPIXPASA-N 429.539 5.047 0 40 IKAB COc1ccc(OC)c(S[C@H](CC(=O)c2ccc(C)c(C)c2)c2ccc(Cl)cc2)c1 16311908 KHZDLYZTLQNQAC-XMMPIXPASA-N 440.992 7.080 0 40 IKAB CCOc1cc(CNCCc2ccccc2F)cc(Cl)c1OCc1ccccc1F 16688751 JUSNLRXEVHKMAT-UHFFFAOYSA-N 431.910 5.928 0 40 IKAB Cn1c(SCC(=O)Nc2c(Cl)cccc2Cl)nnc1-c1cccc(Cl)c1 16789168 UTRZUPZFRVXVHX-UHFFFAOYSA-N 427.744 5.173 0 40 IKAB O=C(N/C(=C/c1ccc(Br)cc1)c1nc2ccccc2s1)c1ccccc1 16953121 RQMTUTZPMIGREJ-XMHGGMMESA-N 435.346 5.987 0 40 IKAB Cc1ccc(-c2nc3cc(C(C)C)ccc3o2)cc1NC(=S)NC(=O)c1cccs1 17099666 YTSGVKIXHQXGDX-UHFFFAOYSA-N 435.574 6.115 0 40 IKAB Cc1ccc(Nc2nc(N3CCC(Cc4ccccc4)CC3)nc3c2cnn3C)cc1Cl 17120805 XMPPFHAADDMJMI-UHFFFAOYSA-N 446.986 5.528 0 40 IKAB Clc1ccc(SCCN2CCN(CCSc3ccc(Cl)cc3)CC2)cc1 19365572 AUJYRKIDNQBCTE-UHFFFAOYSA-N 427.466 5.495 0 40 IKAB Cc1cc(Cc2ccccc2C)cc([C@H]2CCCN2C(=O)CCc2nnc(C(C)C)o2)n1 19687023 LQQXXBKMUFNOTA-HSZRJFAPSA-N 432.568 5.092 0 40 IKAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(I)cc1C 20488884 SDAYELYMFBMXSQ-HXUWFJFHSA-N 445.300 5.549 0 40 IKAB Oc1ccc2ccccc2c1/C=N/c1ccc2oc(-c3ccc(Cl)cc3Cl)nc2c1 21963952 FTHVVLFZBZALNH-UVHMKAGCSA-N 433.294 7.411 0 40 IKAB COc1ccc(-c2cc(C(=O)O[C@H](C)C(=O)c3ccccc3)c3ccccc3n2)cc1OC 23042624 SSBDUNDZECAIOL-QGZVFWFLSA-N 441.483 5.347 0 40 IKAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccc(COc2ccccc2)cc1 23043336 JQAPRAYXJGSFPH-UHFFFAOYSA-N 438.409 5.117 0 40 IKAB COc1ccc(C(=O)Oc2ccccc2-c2nc3scc(-c4ccccc4)n3n2)cc1 27025500 KHMTXXDUJIYWJY-UHFFFAOYSA-N 427.485 5.353 0 40 IKAB Cc1c(C)n(C[C@@H](O)Cn2c(Cc3ccccc3)nc3ccccc32)c2c(Cl)cccc12 28296778 LKVFBHVBXPKFGI-OAQYLSRUSA-N 443.978 5.913 0 40 IKAB CC(C)(C)C(=O)Nc1cccc(C(=O)Nc2cc(Cl)ccc2OCC(F)(F)F)c1 28634945 FTIRFEPXOJSNRO-UHFFFAOYSA-N 428.838 5.518 0 40 IKAB O=C(CSc1nc2ccc(NC(=O)c3ccccc3)cc2s1)Nc1ccccc1F 33000513 JEAOMFBYOLYUFK-UHFFFAOYSA-N 437.521 5.419 0 40 IKAB C[C@@H](NCc1nc2scc(-c3ccccc3Cl)c2c(=O)[nH]1)c1ccc(F)c(F)c1 33040116 UHOOHSNFBDDDEP-LLVKDONJSA-N 431.895 5.434 0 40 IKAB CCOc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)cc1 33684622 VQBFONZNNIRQJD-UHFFFAOYSA-N 428.891 5.507 0 40 IKAB CC[C@@H](C)Oc1ccccc1/C=C1\SC(=O)N(Cc2c(Cl)cccc2Cl)C1=O 33706785 HGPNYHNXMXCPQB-LPXFMOJISA-N 436.360 6.407 0 40 IKAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)Nc1ccccc1Cl 33729292 PFZOTJAZXJNWSF-UHFFFAOYSA-N 431.319 5.632 0 40 IKAB Cc1ccc(OCc2cc(=O)n3oc(C)cc3n2)c(NC(=O)c2ccc(C(C)(C)C)cc2)c1 35448122 GCEAFGDVAIRVLJ-UHFFFAOYSA-N 445.519 5.033 0 40 IKAB CC[C@@H](NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1)C12CC3CC(CC(C3)C1)C2 36760969 QIHHTRPIBBLGDZ-DHUDBDOYSA-N 443.031 5.303 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38835028 PMAQKRMKEDIMNW-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB COc1ccc(Cl)cc1NC(=O)C1CCN(Cc2c(Cl)cccc2Cl)CC1 38849405 IMQMWZDSZHZQMT-UHFFFAOYSA-N 427.759 5.506 0 40 IKAB O=C(NCCSc1ccc(Cl)cc1)c1ccc(OCCSc2ccccc2)cc1 44899912 KUFHOMVYOMFVQY-UHFFFAOYSA-N 444.021 6.033 0 40 IKAB COc1ccc(-n2c(SCc3cc(C)ccc3C)nc3ccccc3c2=O)cc1OC 67260467 YPWSTLFNOKLINC-UHFFFAOYSA-N 432.545 5.312 0 40 IKAB Cc1cc(N2CCC[C@H]2c2nc(-c3ccccc3)c(C(C)C)o2)nc(-c2ccncc2)n1 72301738 LOIUVZPGYRMAEX-NRFANRHFSA-N 425.536 5.967 0 40 IKAB Cc1nnc(CCCSc2nnc(-c3ccc(C(C)(C)C)cc3)n2C2CCCC2)o1 89736324 ZOPRFCVYODRKOP-UHFFFAOYSA-N 425.602 5.774 0 40 IKAB Cc1c(-c2nnc3sc(/C=C/c4ccc(Cl)cc4Cl)nn23)oc2ccccc12 96194383 XZBYRKJLLIMDPB-VQHVLOKHSA-N 427.316 6.385 0 40 IKAB Fc1ccc(NCc2c(OCc3ccc(Cl)cc3Cl)ccc3ccccc23)cc1 107041591 PINCWTPWLUZKGL-UHFFFAOYSA-N 426.318 7.477 0 40 IKAB COc1ccc2ccccc2c1/C=C1/SC(=O)N(Cc2cccc3ccccc23)C1=O 209534262 LENGXJNIADZUAR-BUVRLJJBSA-N 425.509 6.238 0 40 IKAB CC(C)Oc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)cc1Br 222582760 DDZAAXPGHQTUCB-BKTGTZMESA-N 432.387 5.221 0 40 IKAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 222648403 NHRWOYZUSOUURW-MTNREXPMSA-N 437.653 6.362 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCSc1ccc(C)cc1 223031576 BVYZDCDNPSTRFH-RBUKOAKNSA-N 447.044 5.463 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)c(Cl)c1 223142322 XDSBQHZPMDMXAA-KRWDZBQOSA-N 435.395 5.178 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccccc2)c(C)n1Cc1ccco1 223375412 OBZUCGNJTAIDBH-RPBOFIJWSA-N 442.588 5.314 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1ccccc1 223398615 QYEJZEZWQODPKL-ZEQRLZLVSA-N 443.597 5.999 0 40 IKAB COc1ccccc1Oc1ccc(Cl)cc1NC(=O)COc1cccc2c1CCCC2 223549089 OJTKXLGYKNWAFG-UHFFFAOYSA-N 437.923 6.037 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)CCc1ccc(CC)cc1 223870208 GAPZAYQDMONMJB-MRXNPFEDSA-N 435.395 5.042 0 40 IKAB CCSc1ccccc1NC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2)c1 223950757 QCKUKYHHMIQILT-UHFFFAOYSA-N 426.563 5.160 0 40 IKAB Cc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)Nc3ccc4ccccc4c3)c2)cc1 224144254 OTCSNHCHKDQSIU-UHFFFAOYSA-N 430.529 5.226 0 40 IKAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2)c(C)n1C1CCCCC1 224162384 RJVXDBBHPRXCBQ-RPBOFIJWSA-N 430.621 6.182 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(Cl)ccc2C)cc1COc1ccc(Cl)c(C)c1 224543288 IHNUHIWBJWAYGE-UHFFFAOYSA-N 444.358 6.840 0 40 IKAB CCCC[C@H](CC)CNC(=O)c1ccc(CN(c2c(C)cccc2C)S(C)(=O)=O)cc1 224653899 IBCHXHMFOHFLMT-NRFANRHFSA-N 444.641 5.216 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1cccc(Cl)c1 224702320 MAGOVQOMYWIUNL-NRFANRHFSA-N 435.395 5.116 0 40 IKAB Cc1cc(C)cc(CC(=O)N(Cc2ccccc2Cl)[C@H](C)C(=O)NC2CCCCC2)c1 224789163 XMFKQUAGXFJSMO-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB COC(=O)c1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3C3CCCC3)o2)cc1 225032760 PABKFMGNWMUBGM-XZOQPEGZSA-N 447.560 5.043 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccccc1Cl 225163955 JSXCBBXNIUPWPV-KRWDZBQOSA-N 435.395 5.260 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CSCc1cccc(C)c1 225251751 GKDOLSYHGRFCRO-QFIPXVFZSA-N 447.044 5.215 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1Cl)C(=O)Cc1cc(C)ccc1C 225274912 OOAWSSMTGAHJSI-MSOLQXFVSA-N 449.422 5.485 0 40 IKAB CCCCc1cc(C(=O)N2CCC[C@H](c3ncc(Cc4ccc(Cl)cc4)o3)C2)[nH]n1 257256852 KNDVUUSVGPZJHI-KRWDZBQOSA-N 426.948 5.004 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3ncccc23)CC1 257286062 PKAQBQVTSLCZKL-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc(Cl)cc1Cl)c1ccccn1 257316125 VEFQXRJPEHGJOG-SIKLNZKXSA-N 448.438 6.037 0 40 IKAB CCOc1ccc(CN2CCC(c3ccc(Cc4ccccc4F)cn3)CC2)cc1CO 257329390 XJUPROBVQXPARJ-UHFFFAOYSA-N 434.555 5.082 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3cccc(C)c3)n2)cc1 408696271 ZCHYWHHVWVDEKU-UHFFFAOYSA-N 432.911 5.547 0 40 IKAB Cc1ccc(Cl)cc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2ccccc2C)n1 408696594 BAUZCJDWVDMEEO-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB CCCc1sc(NC(=O)c2cccc(Br)c2)nc1-c1ccc(C)c(C)c1 408828504 MPYOYNCDHJOYIF-UHFFFAOYSA-N 429.383 6.394 0 40 IKAB O=C(Oc1ccc2oc(=O)sc2c1)c1sc2cc(Br)ccc2c1Cl 408840415 YOOOMCJLSRKAGR-UHFFFAOYSA-N 441.711 5.704 0 40 IKAB CCOc1cc(CNc2ccccc2Cl)cc(I)c1OCC 409180373 RSBXLXKYLFLKBX-UHFFFAOYSA-N 431.701 5.354 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2)cc1S(=O)(=O)Nc1cccc(C)c1C 409382913 XSSVJPQYZZEYCD-UHFFFAOYSA-N 428.941 5.318 0 40 IKAB FC(F)(F)c1nc(-c2cccc(C3CCN(c4ccnc5ccccc45)CC3)n2)no1 585266734 GNHGUYXPWFQMPH-UHFFFAOYSA-N 425.414 5.083 0 40 IKAB Cc1nn(C)cc1C(=O)N1CCCCCCCCN(Cc2ccccc2)c2ccccc2C1 643569011 JBVGZPDUCDIDRT-UHFFFAOYSA-N 444.623 5.732 0 40 IKAB COc1ccc(-c2cccc(C(=O)N3CC[C@@H](Cc4cccc5cccnc45)C3)c2C)cc1 643586863 GMGVNWOMQBOWTP-NRFANRHFSA-N 436.555 5.924 0 40 IKAB CCc1ccccc1NC(=S)N(Cc1ccco1)Cc1cc2c(C)ccc(C)c2[nH]c1=O 894947 VDLWYQVVDLBOIN-UHFFFAOYSA-N 445.588 5.700 0 40 IKAB CCOC(=O)c1c(-c2ccccc2)oc2ccc(OC(=O)c3ccc(OC)cc3OC)cc12 942054 CRFYDFOYVZQUNZ-UHFFFAOYSA-N 446.455 5.513 0 40 IKAB COc1ccc(C(=O)Oc2ccc3c(=O)c(Oc4cccc(C)c4)coc3c2)cc1OC 942755 TXFAGLQNJMQRAS-UHFFFAOYSA-N 432.428 5.130 0 40 IKAB biogenic Cc1cc(Br)cc2c(C(=O)NCc3ccco3)cc(-c3cccs3)nc12 993373 YGQNPKHULHRMSX-UHFFFAOYSA-N 427.323 5.557 0 40 IKAB COc1ccc(NC(=O)N(Cc2cccs2)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1 1378378 MWZNTFZGCSHPPS-UHFFFAOYSA-N 447.560 5.449 0 40 IKAB Nc1nc(SCc2ccccc2)sc1C(=O)N(Cc1ccccc1)Cc1ccccc1 1566689 FDNJYLMGLUQJMR-UHFFFAOYSA-N 445.613 5.860 0 40 IKAB O=C(Nc1ccccc1)c1cc(-c2ccc(COc3ccccc3)cc2)nc2ccccc12 2078940 PBBTWDZGHYRCTG-UHFFFAOYSA-N 430.507 6.733 0 40 IKAB COc1ccc(NC(=O)c2c(NC(=O)C(C)(C)C)sc3c2CC[C@H](C(C)(C)C)C3)cc1 2182414 OUOIJYYPBATRGE-HNNXBMFYSA-N 442.625 6.145 0 40 IKAB COc1ccc(CN(C(=O)N2c3ccccc3Sc3ccccc32)c2ccccc2)cc1 2254724 BGUQWYPAUADZOR-UHFFFAOYSA-N 438.552 7.125 0 40 IKAB Cc1ccc(S(=O)(=O)NCC[C@H](Cc2ccccc2)c2ccc(OC(C)C)cc2)cc1 2317354 BAUNNWNDLVQBEF-XMMPIXPASA-N 437.605 5.477 0 40 IKAB Cc1ccc(-n2c(SC/C=C/c3ccccc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1 2451806 AZIKUBHSSINMNO-DHZHZOJOSA-N 439.628 7.346 0 40 IKAB O=c1c(-c2ccccc2)c(C(F)(F)F)oc2cc(OCc3ccccc3Cl)ccc12 2666298 HUTOTNCHTOYFJR-UHFFFAOYSA-N 430.809 6.711 0 40 IKAB biogenic COCCCNc1ncnc2c1c(-c1ccccc1)cn2-c1cccc(C(F)(F)F)c1 2714165 HZDHWTNSZIDOBC-UHFFFAOYSA-N 426.442 5.555 0 40 IKAB CCCOC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3Cl)nc3ccccc23)cc1 2740275 PFYSKXUPHZTEPO-UHFFFAOYSA-N 444.918 6.374 0 40 IKAB Cc1cc(C)cc(-n2c(CSc3cccc(Cl)c3)nc3cc(Cl)ccc3c2=O)c1 3050402 BZRNLCWWTXTSMH-UHFFFAOYSA-N 441.383 6.602 0 40 IKAB C[C@H]1Cc2ccccc2N1C(=O)COC(=O)CCN1c2ccccc2Sc2ccccc21 3298042 YRFLFYCDFDYKJO-SFHVURJKSA-N 444.556 5.200 0 40 IKAB CSc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)Nc3nc4ccccc4n32)cc1 4767945 PXXLKOWSMDKORE-QHCPKHFHSA-N 433.577 5.923 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2ccc3oc(-c4ccc(Br)cc4)nc3c2)cc1 6924737 HXERKKNQAPBTKP-YIXHJXPBSA-N 449.304 5.918 0 40 IKAB COc1ccccc1OCCn1c(SCc2cccc3ccccc23)nc2ccccc21 8384526 SEDQOLHIAHXQLB-UHFFFAOYSA-N 440.568 6.569 0 40 IKAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccccc1C 8603536 NGYNTMKHFRXTAE-UHFFFAOYSA-N 438.527 5.050 0 40 IKAB Cc1ccccc1CSc1ncc(Cl)c(C(=O)Nc2nc3ccc(F)cc3s2)n1 8613870 SOHIGRBDOAXAHK-UHFFFAOYSA-N 444.944 5.732 0 40 IKAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)N(Cc1ccco1)C1=CCCCC1 8745911 YJROOXCGYZZCLO-UHFFFAOYSA-N 434.565 5.317 0 40 IKAB CC(C)(C)OC(=O)N1CCC(c2nnc(SCc3ccc(Cl)c(Cl)c3)o2)CC1 8844275 XCXVOCAVHAZZEH-UHFFFAOYSA-N 444.384 5.783 0 40 IKAB Clc1ccc(-c2noc(CSc3nnc(-c4ccco4)n3C3CCCCC3)n2)cc1 8900620 INADQIHSMIAANL-UHFFFAOYSA-N 441.944 6.039 0 40 IKAB Cc1cc(C)c2oc(=O)cc(-c3oc4ccccc4c3NC(=O)c3ccccc3Cl)c2c1 9340811 GHMMINQLEAESLW-UHFFFAOYSA-N 443.886 6.729 0 40 IKAB biogenic CC(=O)NCc1ccc(-c2csc(NC(=O)Cc3ccc(-c4ccccc4)cc3)n2)cc1 9364612 LLJAQHMOVDPCLF-UHFFFAOYSA-N 441.556 5.294 0 40 IKAB COc1ccc2nc(N(Cc3ccccn3)C(=O)c3nc4ccccc4s3)sc2c1 9402018 ORCQCFJTCAAYOG-UHFFFAOYSA-N 432.530 5.157 0 40 IKAB CC[C@H](C(=O)Nc1c(C(=O)Nc2ccccc2OC)oc2ccccc12)c1ccccc1 9413704 PUQOWDFOYRRNJT-SFHVURJKSA-N 428.488 5.826 0 40 IKAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)N[C@H]1CCCc2ccccc21 9463779 YXYCLRDQNZHQKU-DYVFJYSZSA-N 431.483 5.323 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 9544592 SWACCOFGXYFCIN-QFIPXVFZSA-N 429.347 5.780 0 40 IKAB Cc1ccc(C(=O)CSc2nc3cc(Cl)ccc3c(=O)n2Cc2ccco2)s1 9644078 ZUAJPXPBWJQOSU-UHFFFAOYSA-N 430.938 5.036 0 40 IKAB COc1ccc(Br)cc1-c1nc(CSc2ccc(NC(C)=O)cc2)cs1 9647085 XNCRGGOCJGBBLF-UHFFFAOYSA-N 449.395 5.832 0 40 IKAB COc1cccc2cc(-c3csc(NC(=O)c4ccc(-c5ccccc5)cc4)n3)oc12 9663787 CXWLUEBYAWOPED-UHFFFAOYSA-N 426.497 6.484 0 40 IKAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)Nc1ccc(Cl)cc1C(F)(F)F 9666087 BXCHGOPKGPCAJJ-UHFFFAOYSA-N 438.789 5.118 0 40 IKAB Cc1ccc(NC(=O)[C@H](Sc2nnnn2-c2cc(C)ccc2C)c2ccccc2)cc1 9882494 ZKQVGGPRYOSTPI-JOCHJYFZSA-N 429.549 5.060 0 40 IKAB COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccccc1N1CCCCC1 9892123 DDVFVXIQZUUVJT-UHFFFAOYSA-N 438.380 5.119 0 40 IKAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3CC[C@]12C 10272276 AHQGBTJUQBJWCN-ZHLXYZSNSA-N 436.592 6.107 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccccc3[C@H]3CC(c4ccc(Br)cc4)=NN32)cc1 12193077 LYPPIHPRQAFBOM-ILBGXUMGSA-N 447.376 6.815 0 40 IKAB COc1cccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(SC)cc2)c1 12196706 WOAILKNGXYOOAL-WIOPSUGQSA-N 432.545 5.668 0 40 IKAB Cc1cccc(NC(=O)CSc2nnc(Cc3ccccc3)n2C2CCCCC2)c1C 12493881 JELOKTXFVQKQGW-UHFFFAOYSA-N 434.609 5.722 0 40 IKAB COc1ccccc1-c1nnc(S[C@@H]2CCCCCC2=O)n1-c1ccc(Cl)cc1 12523050 IEMNMUCHYCOVEZ-HXUWFJFHSA-N 427.957 5.590 0 40 IKAB Cc1cccc(N2CCN(c3ncnc4c(-c5ccc(Cl)cc5)nsc34)CC2)c1C 12639717 BLZFCAZAKUPJRJ-UHFFFAOYSA-N 435.984 5.350 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(CN(Cc3cccs3)C[C@@H]3CCCO3)[nH]c(=O)c12 12908958 FONVBWNPBIDONO-WBVHZDCISA-N 445.654 5.124 0 40 IKAB O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(C(=O)Cc1cccs1)c1ccccc1 13498141 YDDAXCBKZBBAGF-XMMPIXPASA-N 436.552 5.263 0 40 IKAB Ic1cccc(-c2nc(-c3cccs3)c(-c3ccccc3)[nH]2)c1 13552818 CPQTWXCSTXERDU-UHFFFAOYSA-N 428.298 6.077 0 40 IKAB CCc1ccc(O[C@@H](C)c2nnc(SCC(=O)Nc3cc(Cl)ccc3C)n2C)cc1 13871356 QPAAOBIPBDVRJS-HNNXBMFYSA-N 444.988 5.210 0 40 IKAB CCOc1cc(/C=C2\N=C(c3cccc(F)c3)OC2=O)ccc1OCc1ccc(F)cc1 13895584 DUKSCQNDKAEOHH-MTJSOVHGSA-N 435.426 5.287 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1-c1ccc(Br)cc1 14071268 LIFABTXGPUFBFW-UHFFFAOYSA-N 445.386 5.075 0 40 IKAB C[C@H](Sc1nnc(-c2ccccc2)c2ccccc12)C(=O)N1CCc2ccccc2C1 14128834 FZTLMSYYVTXGMW-SFHVURJKSA-N 425.557 5.362 0 40 IKAB Cc1cccc(NS(=O)(=O)c2cccc(C(=O)Nc3cccc(Cl)c3Cl)c2)c1 15588164 MRMQOZLKNNYJCX-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1ccccc1OCCSc1nc2ccc(NC(=O)c3ccccc3F)cc2s1 15832840 UWHYYMNLZKZCHV-UHFFFAOYSA-N 438.549 6.167 0 40 IKAB C[C@@H]1CC(=O)c2c(OC(=O)C3CCN(C(=O)c4cccc5ccccc45)CC3)ccc(F)c21 16698975 USRBQMUWRBMITF-MRXNPFEDSA-N 445.490 5.127 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=O)COc4ccccc4Cl)ccc3o2)cc1Cl 17095266 GTRVALHVHPDCEB-UHFFFAOYSA-N 427.287 6.128 0 40 IKAB C[C@@H]1CCCN(c2ccc3cccc(OCC(=O)Nc4ccc(C(F)(F)F)cc4)c3n2)C1 17245583 RBGNQCOCBYDSDG-MRXNPFEDSA-N 443.469 5.507 0 40 IKAB C[C@H](Sc1nnc(Cc2ccccc2)o1)c1nc2scc(-c3ccco3)c2c(=O)[nH]1 18328008 USWNJGPVKZUMPJ-LBPRGKRZSA-N 436.518 5.072 0 40 IKAB Cc1cc(NC(=S)NC(=O)c2ccc(C(C)C)cc2)cc(-c2nc3ccccc3o2)c1O 19643750 HAPPXEYBSMYNKQ-UHFFFAOYSA-N 445.544 5.759 0 40 IKAB CCCCCOc1ccc([C@](O)(C(C)C)[C@H](CN2CCOCC2)c2ccccc2)cc1 19851258 NMTSUZDLHHSAJZ-KAYWLYCHSA-N 425.613 5.215 0 40 IKAB CCc1ccc(Nc2nc(C)c3c(n2)C[C@@H](c2cc(OC)c(OC)c(OC)c2)CC3=O)cc1 20101567 BESNBPVCNKDZIB-QGZVFWFLSA-N 447.535 5.030 0 40 IKAB CN(C(=O)c1cccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)c1)C1CCCCC1 21004636 MCWHSIXJMFSGBJ-UHFFFAOYSA-N 441.380 5.199 0 40 IKAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2cc(-c3cccs3)nc3onc(C)c23)c1 21205231 QLTIYDBNADZCQG-LJQANCHMSA-N 449.532 5.254 0 40 IKAB O=C(Nc1ccc(C(F)(F)F)cc1)c1cccnc1Nc1ccc(OC(F)(F)F)cc1 22053632 AGZZKNWDQAQINF-UHFFFAOYSA-N 441.331 5.995 0 40 IKAB COc1cccc(-c2nc(C(=O)NC(c3ccccc3)c3ccccc3)cs2)c1OC 25594361 OEXBZJSVOKUJRQ-UHFFFAOYSA-N 430.529 5.347 0 40 IKAB Cc1occc1-c1nnc(S[C@@H](C)c2nc(-c3cccs3)no2)n1-c1ccccc1 26040385 NLANHTKHBVZRRD-AWEZNQCLSA-N 435.534 5.801 0 40 IKAB Cc1ccc(COc2nc(SCc3ccc(C)cc3)nnc2-c2ccc(Cl)cc2)cc1 27028749 FACIGNDVIXUERM-UHFFFAOYSA-N 447.991 6.680 0 40 IKAB COc1ccc(CN(C(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c2ccccn2)cc1OC 27664553 VBGFVKOHXHMGCZ-KRWDZBQOSA-N 440.927 5.061 0 40 IKAB CC(C)Oc1ccc(C(=O)N2CC(=O)Nc3cc(Cl)ccc3[C@@H]2c2ccccc2)cc1 28047936 BBWJHXFDZLRWMJ-DEOSSOPVSA-N 434.923 5.311 0 40 IKAB CCOc1ccc(NC(=O)c2oc3cc(Br)ccc3c2C)c2cccnc12 32622593 LFDAQHMIQRJULR-UHFFFAOYSA-N 425.282 5.703 0 40 IKAB Cc1nc(Sc2nnc(-c3cccnc3)n2C2CC2)c2c(-c3cccs3)csc2n1 32855714 MGCYMDYXAWLEBK-UHFFFAOYSA-N 448.602 5.868 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)c4cccc(C)c4)cc3s2)cc1 33000490 GKEAYJZGBZVFBJ-UHFFFAOYSA-N 447.585 5.896 0 40 IKAB CCCCOc1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2O)cc1OCC 33524835 RFWRYVVFPCMMHT-ZHZULCJRSA-N 436.508 5.388 0 40 IKAB Cc1ccc(CSc2nnc([C@H](CC(C)C)NC(=O)c3ccccc3Cl)n2C)cc1 35074232 LSLAYISNHXOWSC-FQEVSTJZSA-N 443.016 5.586 0 40 IKAB Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccc(-c3cccc(Cl)c3)o1)CC(O)=N2 36366100 XVJZEQATPAKBJN-CQSZACIVSA-N 440.290 5.661 0 40 IKAB CC(C)(C)c1ccc(C(=O)NCc2nnc(SCc3ccc(C(F)(F)F)cc3)o2)cc1 39709651 OEGXFKUDSMXNHM-UHFFFAOYSA-N 449.498 5.608 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3cccnc3)[C@H]2c2cccc(Br)c2)cc1 40485902 HQXCTGFKKSAZAT-NRFANRHFSA-N 435.321 5.205 0 40 IKAB Cc1ccc(-c2cnc(SCC(=O)Nc3ccc(Cl)cc3)n2-c2ccccc2C)cc1 44086797 WYXZOYVBUDDYNX-UHFFFAOYSA-N 447.991 6.540 0 40 IKAB Cc1nnc2sc(-c3ccccc3NC(=O)/C=C/c3ccc(Cl)cc3Cl)nn12 57312949 QGZNYUMOCPJCPS-VQHVLOKHSA-N 430.320 5.120 0 40 IKAB Cc1ccccc1[C@@H]1CC(c2c(C)nc3ccccc3c2-c2ccccc2)=NN1C(=O)C(C)C 58268818 FJVYBCAVWLINKA-MHZLTWQESA-N 447.582 6.852 0 40 IKAB O=C(NCc1sccc1Br)c1ccccc1-c1ncc(-c2ccccc2)o1 60453917 KZJCLMMVDJXCAI-UHFFFAOYSA-N 439.334 5.763 0 40 IKAB O=C(Nc1ccc(Cl)cc1[C@H](O)c1ccccc1)c1sc2ccccc2c1Cl 72229902 VHCJSLQPQZDTPN-HXUWFJFHSA-N 428.340 6.542 0 40 IKAB CC(C)(C)c1cc2nc([C@H]3CCCN(C(=O)c4cccs4)C3)cc(C(F)(F)F)n2n1 72341100 USCVCUPCKJRANK-ZDUSSCGKSA-N 436.503 5.127 0 40 IKAB Cc1ccc(C2(CN3CCC(NC(=O)CCc4cc(Cl)no4)CC3)CCCCC2)cc1 72393566 HVSUGUQPNDXONN-UHFFFAOYSA-N 444.019 5.052 0 40 IKAB Cc1ccc(C)c([C@H](c2ccccc2)N2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)c1 96183716 UQUDADZKAXNXTO-VWLOTQADSA-N 433.983 5.896 0 40 IKAB CNC(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C\c1ccc(C(C)(C)C)cc1)CCC2 97656618 OQSIMBLVJMPKNM-MNDPQUGUSA-N 442.559 5.312 0 40 IKAB CCC(C)(C)c1ccc(OC(=O)c2cccc(N3C(=O)[C@H]4CC[C@@H](C)C[C@@H]4C3=O)c2)cc1 100397803 LDFZKOYCRHBCOW-VSDWSMLSSA-N 433.548 5.519 0 40 IKAB CCC(=O)N1c2ccccc2N=C2C[C@H](c3ccco3)CC(O)=C2[C@H]1c1ccc(OC)cc1 100429576 QPJOZWQOFMZQPP-XRHLQHRESA-N 442.515 6.248 0 40 IKAB Cc1ccccc1NC(=O)N(CC(=O)O[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C1CCCCC1 100726675 QUYGJBLLXRIPDR-KCVHQNEMSA-N 426.601 5.920 0 40 IKAB Cc1ccc(C23C[C@H]4C[C@@H](CC(C(=O)Nc5ccc(Br)cn5)(C4)C2)C3)cc1 101132400 CJWWQJMPLQYICM-TWVWUCKLSA-N 425.370 5.629 0 40 IKAB FC(F)(F)c1nc2n(n1)[C@H](c1c(Cl)cccc1Cl)C=C(c1ccc(Cl)cc1)N2 102300301 YRPMBMULHYKEDX-AWEZNQCLSA-N 445.659 6.313 0 40 IKAB Cc1ccc([C@H]2[C@H]3C(=O)N(c4cccc5ccccc45)C(=O)[C@@H]3ON2c2ccccc2)cc1 102709192 SBXXZWYDZDXGMP-UODIDJSMSA-N 434.495 5.199 0 40 IKAB CCOc1cc(CNc2ccc(CC)cc2)ccc1OCC(=O)Nc1ccc(C)cc1C 108256419 MWBHSXQXQBRDNM-UHFFFAOYSA-N 432.564 5.894 0 40 IKAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1cccc(C(F)(F)F)c1 222930399 IHIQGDJFWSBKLR-SFTDATJTSA-N 444.526 5.520 0 40 IKAB CCSc1ccccc1NC(=O)/C(=C/c1cccs1)NC(=O)c1ccc(OC)cc1 223351265 AVEBKRCHTPJDKP-HKWRFOASSA-N 438.574 5.278 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccc2F)c1 224311103 PRZSSRNTTSRVJX-RPBOFIJWSA-N 442.563 5.805 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CSc1ccccc1 224439103 FLNADYAARLKPDL-LJQANCHMSA-N 439.408 5.029 0 40 IKAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2)cc1COc1cccc2ccccc12 224628902 WCVYXQWTMOFRAN-UHFFFAOYSA-N 441.527 5.756 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCCC2)cc1 224819830 FURQOBCTAOSFBU-IBGZPJMESA-N 442.600 5.092 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)COc1ccc(C(C)C)cc1 225160036 HSBSNJNJWBMZSV-OALUTQOASA-N 445.003 5.174 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)COc1cc(C)c(Cl)c(C)c1 225481428 NYDSEGNPKRNZGR-SIKLNZKXSA-N 445.003 5.058 0 40 IKAB Cc1cc(NC(=O)C2(c3ccccc3Cl)CCOCC2)cc(C)c1OCc1ccccc1 225578672 WZFZPSDXOCHROC-UHFFFAOYSA-N 449.978 6.223 0 40 IKAB COc1ccc(CN(C)C(=O)c2cccc(OCc3ccccc3Cl)c2)cc1OC 225780812 NRVPBYVNVJQTJR-UHFFFAOYSA-N 425.912 5.208 0 40 IKAB C[C@@H]1CCCC(=O)CCCC=Cc2cc(OCC(=O)c3ccccc3)cc(O)c2C(=O)O1 254509241 ALQNIJCGTCZRDM-GOSISDBHSA-N 436.504 5.136 0 40 IKAB biogenic COc1ccc(F)cc1-c1cccc(CC2(C(=O)NC3CCCCC3)CCOCC2)c1 257201073 AGCYGVKHEIKVOW-UHFFFAOYSA-N 425.544 5.290 0 40 IKAB CC(C)n1c(CN2CCC[C@H](c3ccc(Cc4ccc(F)cc4)cn3)C2)nc2ccccc21 257339170 ZAMAXNDJDIBMRI-QHCPKHFHSA-N 442.582 6.122 0 40 IKAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(-c3ccc(Cl)cc3Cl)o2)NC(=S)N1 408605173 KUISMTRDOPLNGH-GOSISDBHSA-N 439.364 5.390 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3c(C)cccc3C)nc2-c2cccc(C)c2)cc1 408696394 AWKHOMZWXQEOTE-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB CN1C(=S)N(c2ccccc2)C(=O)/C1=C/c1ccccc1OCc1ccccc1Cl 409042154 WJKOHVNGXQYUDO-QNGOZBTKSA-N 434.948 5.523 0 40 IKAB Fc1ccc(-n2c(SCc3ccccc3Cl)nnc2-c2ccc(Cl)cc2)cc1 409084484 CXDJSKMNSLJGRO-UHFFFAOYSA-N 430.335 6.673 0 40 IKAB O=C1N/C(=C\c2ccc(OCc3cccc(F)c3)c(Cl)c2)C(=O)N1C1CCCCC1 409091316 PJCIQMVYHJGJFT-MOSHPQCFSA-N 428.891 5.284 0 40 IKAB CCOc1ccc(-n2c(SCC(=O)c3ccc(Cl)cc3)nnc2-c2ccccc2)cc1 409106466 NMQRAVXRWHFPBZ-UHFFFAOYSA-N 449.963 5.961 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2ccc(Cl)cc2)cc1C 409107454 PYZSCRCCDFACDT-UHFFFAOYSA-N 447.991 6.103 0 40 IKAB Cc1c(-c2nc3ccccc3s2)c2ccccc2n1Cc1ccc(Br)cc1 409192242 VYKXNXHVVAQMIJ-UHFFFAOYSA-N 433.374 7.037 0 40 IKAB COc1cc(C(=O)n2nc(Nc3ccccc3)cc2Nc2ccccc2)cc(OC)c1OC 575442848 GGRYPDVBWHUBAK-UHFFFAOYSA-N 444.491 5.085 0 40 IKAB Cc1ccc(OCc2ccccc2)c(-c2ccc(C(=O)O)c(Cc3ccc(Cl)cc3)n2)c1 585265642 WBCOKEAJJOVJHW-UHFFFAOYSA-N 443.930 6.578 0 40 IKAB O=C(Nc1cccc(C(=O)Nc2cccc3ccccc23)c1)c1ccc(Br)cc1 855736 HCZGTKBWFOTDEV-UHFFFAOYSA-N 445.316 6.107 0 40 IKAB COc1ccc(-c2coc3c4c(c(CC=C(C)C)c(OC)c3c2=O)OC(C)(C)C=C4)cc1 1583701 FMMGGNWIGINIOP-UHFFFAOYSA-N 432.516 6.170 0 40 IKAB biogenic O=C(Nc1ccc2oc(-c3cccc4c(Cl)cccc34)nc2c1)c1cccc(Cl)c1 1761410 UNYABGOOWFFRNP-UHFFFAOYSA-N 433.294 7.207 0 40 IKAB Cc1ccc(NC2=C(CC(=O)O)[C@@H](c3ccc(F)cc3)N(c3ccc(C)cc3)C2=O)cc1 1886097 WDXUFGNIWPKZQR-RUZDIDTESA-N 430.479 5.371 0 40 IKAB O=C(COc1cc(Cl)c(Cl)cc1Cl)OCC1c2ccccc2-c2ccccc21 2061764 YBNRPJYYNKKRIC-UHFFFAOYSA-N 433.718 6.381 0 40 IKAB CC[C@H](C)COC(=O)c1c(N)n(-c2cccc(C(F)(F)F)c2)c2nc3ccccc3nc12 2220189 GKVWBWRTQACDKR-ZDUSSCGKSA-N 442.441 5.378 0 40 IKAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)c1nnc(SC/C=C/c2ccccc2)o1 2395768 UMTMHTSTSIDAHK-XIJQHFHMSA-N 437.565 5.684 0 40 IKAB C[C@H](Sc1oc(-c2cccs2)nc1S(=O)(=O)c1ccc(F)cc1)c1ccccc1 2721759 SIJPSRGCRLNRPI-AWEZNQCLSA-N 445.562 6.228 0 40 IKAB COc1cc(NC(=O)c2ccccc2Cl)cc(S(=O)(=O)c2ccc(Cl)cc2)c1 2793585 XQULNVRZMWEAQH-UHFFFAOYSA-N 436.316 5.087 0 40 IKAB CCC(C)(C)c1ccc(OCCOCC[n+]2cn(C)c3ccccc32)c(C(C)(C)CC)c1 3205219 JRALUUGRVMBKOM-UHFFFAOYSA-N 437.648 5.937 0 40 IKAB O=C(COC(=O)c1sc2cc(F)ccc2c1Cl)Nc1ccc(OC(F)F)cc1 3311976 CQJWHKVONPDLIP-UHFFFAOYSA-N 429.803 5.091 0 40 IKAB O=C(CSc1ncnc2sc3c(c12)CCCC3)Nc1ccc(SC(F)F)cc1 3352699 SGBYXAKNSHOFIC-UHFFFAOYSA-N 437.562 5.616 0 40 IKAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cc(Br)ccc1Cl 3455907 APAOXLUFRWPKKS-UHFFFAOYSA-N 429.673 5.757 0 40 IKAB C[C@H]1C(=O)[C@H](O)C[C@@H]2[C@]1(C)CC[C@@H]1[C@]2(C)CC[C@@]2(C)[C@H]3CC(C)(C)CC[C@]3(C)CC[C@]12C 5004602 DSEKYWAQQVUQTP-QCDJWZCHSA-N 442.728 7.428 0 40 IKAB O=C(C[C@H](NC(=O)c1ccccc1)c1ccccc1)Nc1ccc(N2CCCCC2)cc1 5688285 WCVUEYKLQOPBJZ-VWLOTQADSA-N 427.548 5.177 0 40 IKAB Nc1c(C(=O)Nc2ccc(F)cc2)sc2nc(-c3cccs3)cc(-c3ccccc3)c12 8450985 KOJCITYQTOGCGM-UHFFFAOYSA-N 445.544 6.665 0 40 IKAB COc1ccc([C@@H]2c3c(-c4ccc(Cl)cc4)n[nH]c3C(=O)N2c2ccccc2)c(OC)c1 8715794 JWQAVQVYXUENSC-XMMPIXPASA-N 445.906 5.497 0 40 IKAB Cc1cccc(N(Cc2cc3ccccc3[nH]c2=O)C(=O)c2ccc(C(C)(C)C)cc2)c1C 9019537 KCBUJYFAIPMFIE-UHFFFAOYSA-N 438.571 6.289 0 40 IKAB O=C(c1ccc(-c2ccc(Cl)cc2)s1)N1CCC[C@H]1c1nnc2n1CCCCC2 9053852 CVVGQEXQACIEIU-KRWDZBQOSA-N 426.973 5.364 0 40 IKAB CC[C@@H](C)Cc1c(C)sc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c(=O)c12 9219023 YCFULQFJDRGXSI-ZYHUDNBSSA-N 446.623 5.846 0 40 IKAB CCOc1ccc(C(=O)c2c(N)c(C(=O)Nc3ccccc3Cl)c3ccccn23)cc1 9316935 DFGYVHPNCGQZOF-UHFFFAOYSA-N 433.895 5.057 0 40 IKAB O=C(Nc1cccs1)Nc1nnc(SCc2ccc(Br)cc2)s1 9324183 RFFQTBNTOBLBOM-UHFFFAOYSA-N 427.374 5.298 0 40 IKAB Cc1cccc(C)c1N(C(=O)/C=C/c1ccc2c(c1)OCO2)c1nc2ccccc2s1 9509901 FRZUBPRVNIZVJS-ACCUITESSA-N 428.513 6.020 0 40 IKAB C[C@@H]1CCCC[C@@H]1n1c(SCC(=O)c2c[nH]c3ccccc23)nnc1-c1cccnc1 9562227 QZZNVAKDIZHTPN-IERDGZPVSA-N 431.565 5.548 0 40 IKAB O=C(c1cnn2c1N[C@H](c1ccc(F)cc1)C[C@H]2C(F)(F)F)N1CCCc2ccccc21 9780502 DWWVXYCAPGPLNG-ICSRJNTNSA-N 444.432 5.276 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2cccc(Cl)c2)c2cccc(Cl)c2)cc1 9908166 AYZYVXSUEWKWBB-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1cc(-c2nc3cc(NC(=O)c4ccccc4Cl)ccc3o2)cc(OC)c1OC 10120160 HJFWMXNQKQJOMA-UHFFFAOYSA-N 438.867 5.426 0 40 IKAB CN(C)CCN(C(=O)c1cc(Cl)sc1Cl)c1nc2c(F)cc(F)cc2s1 12140836 JPZBDIBDROAGEH-UHFFFAOYSA-N 436.336 5.151 0 40 IKAB Cc1ccc2nc(N(CCCN(C)C)C(=O)C(c3ccccc3)c3ccccc3)sc2c1 12140914 PHKVDQKJUXDECE-UHFFFAOYSA-N 443.616 5.722 0 40 IKAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)CCCSc1nc2ccccc2s1 12535060 GNTLOFUDMDRBJG-UHFFFAOYSA-N 446.548 5.572 0 40 IKAB Clc1ccc(-c2nsc3c(N4CCN(c5cccc(Cl)c5)CC4)ncnc23)cc1 12639729 YSQLIOGJOXBNNW-UHFFFAOYSA-N 442.375 5.387 0 40 IKAB CCN(Cc1ccc(OCc2cccs2)c(OC)c1)C(=O)c1cccnc1SC 12676967 GQTNNPGNKNLODC-UHFFFAOYSA-N 428.579 5.115 0 40 IKAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)c1sc(-c2ccco2)nc1-c1ccccc1 12854158 HUYOWCZSBSDDCH-UHFFFAOYSA-N 438.530 5.034 0 40 IKAB CC(C)(C)c1ccc(Oc2nc(SCc3ccccc3Cl)nc3c2CCCC3)cc1 12856046 DLALFYGCZKGHMJ-UHFFFAOYSA-N 439.024 7.391 0 40 IKAB Cc1c(-c2ccccc2)oc2c(C(=O)O[C@@H](C)C(=O)c3cccc(Cl)c3)cccc2c1=O 12980048 PHZXYKRALSYELQ-INIZCTEOSA-N 446.886 5.850 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(N4CCCCC4)n3Cc3ccco3)co2)c(C)c1 13010448 MLGBNGJQAHFIFE-UHFFFAOYSA-N 449.580 5.474 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(/C=C(\CC(=O)O)c3nc4ccccc4s3)c2)cc1 13339228 XAROAYSKJZXZMO-CPNJWEJPSA-N 428.513 5.872 0 40 IKAB Cc1ccc(NC(=O)N(Cc2ccccc2)Cc2cc3cc(C)cc(C)c3nc2Cl)cc1 13513897 QKPYROGMXADMQR-UHFFFAOYSA-N 443.978 7.048 0 40 IKAB CC1(C)C[C@@]2(CCO1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(F)cc3)=NN12 13595758 UCCDIGWNGSSVDF-DENIHFKCSA-N 445.332 5.417 0 40 IKAB CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(NC(=O)CCc3ccccc3)cc2)cc1 13631170 VTEIUUMKPHGZPD-FQEVSTJZSA-N 430.548 5.787 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)N1c2ccccc2Sc2ccccc21 13717169 CSNKJCQXIBBGPE-UHFFFAOYSA-N 444.984 6.725 0 40 IKAB COc1ccc(C(C)=O)cc1CSc1nnc(-c2cccnc2)n1[C@@H]1CCCC[C@@H]1C 14093127 GIQQZVUAVDRWDJ-HRAATJIYSA-N 436.581 5.595 0 40 IKAB COc1ccccc1[C@H](c1c(NC(=O)c2ccccc2)sc(C)c1C)N1CCOCC1 15441149 UEOLLPLCBQJTLR-HSZRJFAPSA-N 436.577 5.047 0 40 IKAB Cc1[nH]c(SCc2nc3sc4c(c3c(=O)[nH]2)CC[C@@H](C)C4)nc1Cc1ccccc1 16097394 JHKSFGLEGRSDNU-CYBMUJFWSA-N 436.606 5.024 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)Nc1ccc(Cl)cc1C(=O)c1ccccc1F 16449430 WWZVXHMKEVEFKC-UHFFFAOYSA-N 436.792 6.373 0 40 IKAB CCOc1ccc(NC(=O)c2ccc([C@H]3SCC(=O)N3CCc3ccccc3)cc2)cc1 16691757 XFLTZMNNHMWZIJ-AREMUKBSSA-N 446.572 5.154 0 40 IKAB CCCCCCOP(=O)(OCCCCCC)[C@H](CCCCCC)C(=O)OCCCC 16969730 RGERMSDJBXYYKJ-HSZRJFAPSA-N 448.625 8.056 0 40 IKAB Cc1ccc(S(=O)(=O)N(CC(=O)Nc2c(Cl)cccc2Cl)c2ccccc2)cc1 19855788 ICDFGSHQOOWGOE-UHFFFAOYSA-N 449.359 5.136 0 40 IKAB COc1ccc(CN2CCN(Cc3cccc(Cl)c3)CC2)cc1OCc1ccccc1 19889514 MRWCPRGKUQSHIE-UHFFFAOYSA-N 436.983 5.245 0 40 IKAB CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccc(Cl)c(-c3ccc(CO)o3)c2)c1 20152753 KGAOVFVMXWGVEM-UHFFFAOYSA-N 444.940 5.006 0 40 IKAB COc1ccc(NC(=O)Nc2ccc(SCc3nnc(-c4ccccc4)o3)cc2)cc1 20249381 AAJBMBMACCUVEV-UHFFFAOYSA-N 432.505 5.682 0 40 IKAB CC1CCN(C(=O)Cn2cc(SCc3cccc4ccccc34)c3ccccc32)CC1 21728348 URZUQZHDABKQFS-UHFFFAOYSA-N 428.601 6.345 0 40 IKAB CC(=O)N[C@@H](CC(=O)N[C@H](c1ccc(C(C)C)cc1)c1cccs1)c1cccs1 22542845 HRGKYWXXRGBIRP-WMZHIEFXSA-N 426.607 5.406 0 40 IKAB O=C1COc2ccc(NC(=O)c3ccccc3Nc3cccc(C(F)(F)F)c3)cc2N1 23342350 HTDQZOBTBDWHCO-UHFFFAOYSA-N 427.382 5.032 0 40 IKAB CCOc1ccc(NC(=O)c2cc(NS(=O)(=O)c3ccc(C)cc3)ccc2Cl)cc1 30850519 NNHSRQWUWVSDMO-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB Cc1ccc(-c2cnc(CCC(=O)N3CCCC[C@H]3c3nc4ccccc4s3)o2)cc1 32881930 NDQCVGYBJCIRFH-FQEVSTJZSA-N 431.561 5.946 0 40 IKAB COc1cc(/C=C/C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)cc(OC)c1OC 35586217 HTVQXZVKGSVMTG-VAWYXSNFSA-N 430.460 5.173 0 40 IKAB O=c1c2cnc3c(-c4ccc(Cl)cc4)cnn3c2ccn1CCc1c[nH]c2ccccc12 40397325 NCDIKVDHJHXHSS-UHFFFAOYSA-N 439.906 5.089 0 40 IKAB CCOC(=O)c1ccc(NC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1Cl 44939771 DLOFIEGWINUIQI-INIZCTEOSA-N 435.351 5.021 0 40 IKAB Cc1ccc(C)c(NC(=O)[C@H](NCc2c(C)nn(-c3ccccc3)c2C)c2ccccc2)c1 57323121 LSEXZDZHXHMVDI-HHHXNRCGSA-N 438.575 5.576 0 40 IKAB O=C(COc1cccc(-c2nc(-c3ccccc3)no2)c1)Nc1cccc(C(F)(F)F)c1 72242798 GOCXJCJDNDHTEP-UHFFFAOYSA-N 439.393 5.440 0 40 IKAB Cc1cc(C)nc(Nc2cccc([C@H]3CCCN3C(=O)c3[nH]c4ccc(F)cc4c3C)n2)n1 72375388 SPBUANLSPGEGSL-OAQYLSRUSA-N 444.514 5.138 0 40 IKAB COc1cccc(C2=NN(C(=O)C(C)(C)C)[C@@H](c3cc4cccc(C)c4nc3Cl)C2)c1 89689013 ZXCBNPXJYJMPGS-OAQYLSRUSA-N 435.955 5.929 0 40 IKAB COC(=O)c1ccc([C@@H]2C3=C(O)C[C@H](c4ccc(O)cc4)CC3=Nc3onc(C)c32)cc1 102731202 PFSVTUWTNIYLCO-VGSWGCGISA-N 430.460 5.083 0 40 IKAB COc1ccccc1N/C=C1/C(=O)N(c2ccc(-c3ccccc3)cc2)C(=O)c2ccccc21 102931555 SRVMUXJUVJAXLD-NCELDCMTSA-N 446.506 6.002 0 40 IKAB O=C1S/C(=C\c2ccccc2OCc2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 106691143 BNIFKYPWHLDQRM-XKZIYDEJSA-N 437.467 5.780 0 40 IKAB COC(=O)CC[C@H](C)[C@H]1CC[C@H]2[C@@H]3[C@@H](OC(C)=O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118924481 PMJBQFRZSVOFFB-MHLCZHJFSA-N 448.644 5.137 0 40 IKAB CC[C@H](C(=O)NC(C)C)N(Cc1ccc(C)cc1)C(=O)CSc1ccc(Cl)cc1 222459159 QFPKNTREIRHFDC-OAQYLSRUSA-N 433.017 5.073 0 40 IKAB CC(C)N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc(Cl)cc1Cl 222821089 OZDSIKLTYOSOLK-VQTJNVASSA-N 431.392 5.560 0 40 IKAB CC(C)C(=O)N(Cc1ccccc1)[C@@H](C(=O)NCc1ccc(Cl)cc1)c1ccccc1 223348029 NYSTVUSQGFIGTP-XMMPIXPASA-N 434.967 5.382 0 40 IKAB CCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccccc1 223420787 CABDRTOZTLXCLS-AREMUKBSSA-N 448.994 5.569 0 40 IKAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)Cc1ccc(Cl)cc1Cl 223746119 YDMPGKFSGDXDMQ-QFIPXVFZSA-N 449.422 5.568 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2cccc(Cl)c2Cl)c1 223940127 WTLWBADHDKOHAW-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)c(C)c1 224192425 MPXKCIUWJXSLSK-UHFFFAOYSA-N 428.941 5.034 0 40 IKAB Cc1ccc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2c2cccc(C)c2)nc1 224226944 NCVHQOZXJAGVAK-BJKOFHAPSA-N 425.561 5.061 0 40 IKAB Cc1ccc(C(=O)Nc2cccc(Cl)c2Cl)cc1N(C)S(=O)(=O)c1ccccc1 224296327 WFVKYJPPZSBKAU-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)Cc1ccc(Cl)cc1Cl 224351327 VJPKKEAKSWRLCO-LJQANCHMSA-N 441.786 5.133 0 40 IKAB CC(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccccn2)cc1 224357365 ANYBDNXCVJZMTL-RPBOFIJWSA-N 439.588 5.568 0 40 IKAB CCOc1ccc(C(=O)NCc2ccccc2Cl)cc1COc1ccc(Cl)c(C)c1 224540611 AHIURKIORBLHQQ-UHFFFAOYSA-N 444.358 6.210 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1ccc(C)cc1 224871902 YYGRYUBWVAUWNP-QFIPXVFZSA-N 449.422 5.424 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CSCc1ccccc1C 225135371 UUUYYYLKXCKFOY-OALUTQOASA-N 447.044 5.214 0 40 IKAB Cc1ccc(SCC(=O)N(Cc2ccccc2F)[C@H](C)C(=O)NC2CCCCC2)cc1 225151509 GYNAYDANHNUBFC-LJQANCHMSA-N 442.600 5.092 0 40 IKAB CCOc1ccc(CNC(=S)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 225431659 RPTNZIUONHVFKO-UHFFFAOYSA-N 446.616 6.100 0 40 IKAB C[C@@H]1CCCN(CCCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCCC3)cc2)C1 225520768 OTROXXSJYKAGSL-OAQYLSRUSA-N 438.587 5.777 0 40 IKAB CCc1ccc(-n2c(SCc3ccccc3)nc3c(-c4ccccc4)c[nH]c3c2=O)cc1 225546140 ZKPKOIFJESYUQC-UHFFFAOYSA-N 437.568 6.236 0 40 IKAB CCOC(=O)c1cc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)ccc1O[C@H](C)CC 225762583 FCEXQXZILORSOP-GOSISDBHSA-N 441.543 6.020 0 40 IKAB FC(F)(F)c1cccc(NC(=S)NC2(CCc3ccc(Cl)cc3)CCCC2)c1 225849757 VOZPMCQBSIXNFG-UHFFFAOYSA-N 426.935 6.591 0 40 IKAB Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](Cc2cccc3ccncc23)CC1 257208007 BKGXJJJMEBPGTK-QFIPXVFZSA-N 438.575 5.273 0 40 IKAB O=C(c1cccc(Oc2ncccn2)c1)N1CCC[C@H](Cc2cccc3cccnc23)CC1 257219303 DGIULZIZZWOIAN-FQEVSTJZSA-N 438.531 5.302 0 40 IKAB O=C(c1cc(-c2ccccc2Cl)no1)N1CCC[C@H](c2ncc(Cc3ccccc3)o2)C1 257245056 INYFOPQDWNRHJF-SFHVURJKSA-N 447.922 5.594 0 40 IKAB COc1ccccc1Cc1cnc([C@@H]2CCCCN2C(=O)c2cc3cccc(F)c3[nH]2)o1 257339455 ZBUYSJSDYMYTSD-NRFANRHFSA-N 433.483 5.262 0 40 IKAB O=C1CS[C@H](c2ccc(OCc3ccccc3F)c(Cl)c2)N1c1ccc(Cl)cc1 408554262 CDVRTFJWLRMXQX-JOCHJYFZSA-N 448.346 6.490 0 40 IKAB S=C(NC[C@H]1CCCO1)c1ccc(OCc2ccccc2Cl)c(Br)c1 408573168 IQQPBADENHWCHL-OAHLLOKOSA-N 440.790 5.126 0 40 IKAB COc1ccc(CCNC(=S)c2ccccc2OCc2ccc(Cl)c(Cl)c2)cc1 408578524 YKBLZUJOOFPRTD-UHFFFAOYSA-N 446.399 6.089 0 40 IKAB Fc1cccc(COc2ccc(CNc3ccc(F)c(Cl)c3)cc2Br)c1 408610748 SACORZAHBIWYKN-UHFFFAOYSA-N 438.699 6.572 0 40 IKAB Cc1c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3Cl)C2)ccc(Br)c1Cl 408646622 VVQSNYGLQZVNHJ-LLVKDONJSA-N 442.140 5.056 0 40 IKAB CCOc1ccc(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2cccc(C)c2)cc1 408694504 JSZIOVMZZXJTQL-UHFFFAOYSA-N 426.520 5.511 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(C)c2)cc1 408696447 AAKYPXZQUNXRFL-UHFFFAOYSA-N 432.911 5.465 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc(Cl)c(Cl)c3)nc2-c2ccccc2)cc1 408699739 WATJLLGBWZIDOF-UHFFFAOYSA-N 439.302 5.502 0 40 IKAB O=C(NCCSCc1ccc(Cl)cc1)/C(=C/c1ccccc1Cl)c1ccccc1 408913280 SMTPVOCBCLTBLJ-CJLVFECKSA-N 442.411 6.584 0 40 IKAB Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 409100156 VEEFRMPKJGYBIK-BGYRXZFFSA-N 434.609 5.048 0 40 IKAB CCc1cccc2c(/C=C3\SC(=O)NC3=O)cn(Cc3ccc(Br)cc3)c12 409125796 KLQKHXUYKJIAPV-ZDLGFXPLSA-N 441.350 5.338 0 40 IKAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1[C@@H](c1ccccc1)N2 409173615 MMZAYWSODORDRV-VCEJLILHSA-N 434.649 6.245 0 40 IKAB O=C(/C=C/c1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1 409174382 RSHDFUMIGNWVSO-MDWZMJQESA-N 447.343 5.446 0 40 IKAB CCCN1C(=O)S/C(=C/c2cn(CC(=O)Nc3ccc(C)cc3)c3ccccc23)C1=O 409224698 IRFDIASZQMIVHM-FYJGNVAPSA-N 433.533 5.035 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2CCCO2)c(C)c1 885060 GWKPPOTZQQHUSV-JOCHJYFZSA-N 449.620 5.140 0 40 IKAB CSc1ccc([C@H](Nc2ccccn2)c2c(NC(=O)c3ccco3)sc(C)c2C)cc1 1298116 BDZCKMQGXQONBZ-QFIPXVFZSA-N 449.601 6.529 0 40 IKAB O=C(Nc1ccccc1-c1ccccc1)N1CCC(c2nc(-c3ccncc3)no2)CC1 1359360 JGTJOGPJCSVBJJ-UHFFFAOYSA-N 425.492 5.210 0 40 IKAB Cc1ccc(NC2=C(CC(=O)O)[C@@H](c3ccccc3F)N(c3ccc(C)cc3)C2=O)cc1 1884645 TZGAGWXXKMFTIF-RUZDIDTESA-N 430.479 5.371 0 40 IKAB Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)nc3ccc(Cl)cc23)c(C)c1 2074096 XSYTYFSDWHJYBI-UHFFFAOYSA-N 433.964 6.298 0 40 IKAB COc1ccccc1-n1c(SCCC(C)C)nc2sc3c(c2c1=O)CC(C)(C)OC3 2292276 STWUBSUIJBWFIM-UHFFFAOYSA-N 444.622 5.445 0 40 IKAB O=C(CCCSc1nnc(Cc2cccs2)n1C1CCCCC1)c1ccccc1 2649528 ASIOSBXLKPXYJK-UHFFFAOYSA-N 425.623 6.191 0 40 IKAB O=C(CSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(Cl)cc1)c1ccccc1 2720946 KTEJCSZZRVTGAL-UHFFFAOYSA-N 445.931 5.495 0 40 IKAB CC[C@@H](C)c1ccc(NC(=O)c2ccc(C(=O)Nc3ccc([C@H](C)CC)cc3)cc2)cc1 2742642 SMFVERULOOBXSE-WOJBJXKFSA-N 428.576 7.218 0 40 IKAB CCOc1ccc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@H](c2ccc(C)cc2)N3)cc1 3011851 DPADNLRMRSKUJB-QUCCMNQESA-N 444.457 5.503 0 40 IKAB O=C(Nc1nc(-c2ccccc2)c(-c2ccccc2)s1)C1(c2ccc(Cl)cc2)CCC1 3351262 ZBBBIMNOKTXIOR-UHFFFAOYSA-N 444.987 7.191 0 40 IKAB O=C(O)c1cc(S(=O)(=O)N(Cc2ccccc2)c2ccc(Cl)cc2)ccc1Cl 3886650 FIGVHVKELRTVRV-UHFFFAOYSA-N 436.316 5.087 0 40 IKAB NC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C2CCCCC2)sc2c1CCCC2 4177257 XQWWLMNOTZTSMW-UHFFFAOYSA-N 447.000 5.444 0 40 IKAB OC(Cl)(Cl)c1ccc2c(c1)Cc1cc(C(O)(c3ccccc3)c3ccccc3)ccc1-2 4683420 KJYDPGKMVHPGIS-UHFFFAOYSA-N 447.361 6.122 0 40 IKAB O=C(CCCCCCCCC(=O)OCCOc1ccccc1)OCCOc1ccccc1 5732786 CCOHSRRJVBDUOH-UHFFFAOYSA-N 442.552 5.352 0 40 IKAB O=C(c1sc2nccc3c2c1nnn3Cc1ccccc1)C12CC3CC(CC(C3)C1)C2 8453870 ZCLNZGAKEDGDLB-UHFFFAOYSA-N 428.561 5.488 0 40 IKAB CCN(CC)CCCOc1ccc(CN(C)[C@@H](C)CCC2=C(C)CCCC2(C)C)cc1 8614550 MTOLFROMMXNVAJ-DEOSSOPVSA-N 428.705 6.924 0 40 IKAB CN1CCC2(CC1)Oc1ccc(Br)cc1[C@H]1CC(c3ccc(Cl)cc3)=NN12 8717691 RDGLRJQFIWPFIA-LJQANCHMSA-N 446.776 5.068 0 40 IKAB CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cc(Cl)ccc3Cl)o2)cc1 8812511 GLXIYDASRJWBKO-UHFFFAOYSA-N 436.364 6.072 0 40 IKAB Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)n1 8827449 JLKKEQJZVHNSIE-KRWDZBQOSA-N 426.856 5.100 0 40 IKAB COc1ccc(-n2nc3c(c2NC(=O)C(c2ccccc2)c2ccccc2)CSC3)cc1 8882727 YBJKBEUVQJDYAY-UHFFFAOYSA-N 441.556 5.398 0 40 IKAB CCc1ccccc1N1COc2ccc3c(=O)c(-c4ccc(OC)c(OC)c4)coc3c2C1 8991154 BEYYMDWGMJPJTR-UHFFFAOYSA-N 443.499 5.396 0 40 IKAB biogenic Fc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4cccs4)=NN32)cc1F 9076235 STGYRQHAKGNANI-FXAWDEMLSA-N 447.304 6.031 0 40 IKAB CC1=C(C(=O)Nc2ccccn2)[C@@H](c2cccnc2)C2=C(O)C[C@@H](c3cccs3)CC2=N1 9087421 BXODJYQDWSDBPX-GAJHUEQPSA-N 442.544 5.379 0 40 IKAB COc1ccc(-c2noc(CN(C(=O)Nc3ccccc3OC)C3CCCCC3)n2)cc1 9190821 MCURXNBCNXMSHJ-UHFFFAOYSA-N 436.512 5.121 0 40 IKAB COc1ccc(-n2c(SCc3nc(-c4cccs4)no3)nnc2-c2ccccc2)cc1 9296416 ZWVAOWQFJKHNSF-UHFFFAOYSA-N 447.545 5.347 0 40 IKAB O=C(CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccc(Cl)cc1 9562224 RAORFUVZNIZRTJ-UHFFFAOYSA-N 427.403 6.112 0 40 IKAB CCCN(C(=O)Nc1cc(C)cc(C)c1)c1nc(-c2ccc(C3CCCCC3)cc2)cs1 9606986 LQSVHNKQOYRZMM-UHFFFAOYSA-N 447.648 7.923 0 40 IKAB C[C@H](NC(=O)CSc1nnc(C2CC2)n1Cc1ccccc1)c1ccc2c(c1)CCCC2 9613928 BDHVAQOUIFCQBO-SFHVURJKSA-N 446.620 5.052 0 40 IKAB COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(N2CCC(C)CC2)cc1 9886739 OJHYNUMJOYHVCL-XCVCLJGOSA-N 429.358 5.346 0 40 IKAB COc1cc(CN2CCCCC[C@@H]2c2cc(-c3ccc(F)cc3)on2)cc(OC)c1O 12185704 YVXVQNDGGJIKRO-HXUWFJFHSA-N 426.488 5.321 0 40 IKAB CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)ccc2O[C@H]3c2ccc(OCC)cc2)cc1 12195855 REHWOVJLBUKDGQ-AHWVRZQESA-N 448.950 6.380 0 40 IKAB Clc1ccc(OCCSc2nnc3c4ccccc4nc(-c4ccccc4)n23)cc1 12377056 LSFJFFDIAPWKGN-UHFFFAOYSA-N 432.936 5.769 0 40 IKAB COc1ccccc1-n1c(S[C@H](C)c2nc(C(C)C)no2)nnc1-c1cccs1 12536628 DBDZGIORNOCLLA-CYBMUJFWSA-N 427.555 5.364 0 40 IKAB COc1ccc(-c2cc(C(=O)N3CCC(Cc4ccccc4)CC3)c3ccccc3n2)cc1 12565505 BWUMAPMOSHDSAD-UHFFFAOYSA-N 436.555 6.005 0 40 IKAB CCN(c1ccc(NC(=O)CSc2nncn2-c2ccc(C)c(Cl)c2)cc1)C(C)C 12644464 YNADEXQJWVUXRY-UHFFFAOYSA-N 444.004 5.195 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N2CCC[C@@H]2c2cccs2)cc1 12677901 WMGKZMPDTHSWIL-HSZRJFAPSA-N 430.573 6.201 0 40 IKAB Clc1ccc2c(c1)nc(CSc1nnc(C3CC3)n1C1CC1)n2Cc1ccccc1 12822138 XKTYZWWQEKJWLJ-UHFFFAOYSA-N 435.984 5.834 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1cccc(OC(C)C)c1 12855339 LJSMYRZDKQROKD-UHFFFAOYSA-N 428.536 5.892 0 40 IKAB CC[C@@H](C)c1ccc(-n2c(SCc3noc(C)n3)nc3ccc(Cl)cc3c2=O)cc1 12918753 CABVXXCINKCXLY-CYBMUJFWSA-N 440.956 5.536 0 40 IKAB CCCSc1nc(SCc2ccccc2)c2c3c(sc2n1)CO[C@@](C)(CC)C3 13514070 DDYORLISHPAKMG-QFIPXVFZSA-N 430.664 6.727 0 40 IKAB Cc1ccc(NC(=O)[C@@H](Sc2ncnc3sc4c(c23)CCC4)c2ccccc2)cc1 13526789 TYTNCAXQRPJHPT-NRFANRHFSA-N 431.586 5.961 0 40 IKAB CN(C(=O)c1ccc([C@@H]2SCC(=O)N2Cc2ccc(Cl)cc2)cc1)c1ccccc1 13647668 AVKDJEGWEJSQIA-DEOSSOPVSA-N 436.964 5.391 0 40 IKAB CCCC[C@H](CC)CNC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 13945763 JQBGBJTVBVIAKU-AFMDSPMNSA-N 431.580 5.436 0 40 IKAB C[C@@H](NCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1)c1ccc2c(c1)CCCC2 14241898 NWXVOSAYWXICGH-OAHLLOKOSA-N 433.552 5.520 0 40 IKAB Cc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(Cl)c4)ccc3o2)c(C)c1 14270884 RVBISGUVPQRCCY-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1NC(=O)c1ccc(-c2ccccc2)cc1 14272757 LHXVOPJALMXDPJ-UHFFFAOYSA-N 446.554 6.772 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccc(Cl)cc4)ccc3c2C)c1 15729411 VVEHAUZNMICNPG-UHFFFAOYSA-N 449.890 5.895 0 40 IKAB biogenic O=C(Nc1ccccc1)c1nc(SCc2ccccc2F)ncc1Sc1ccccc1 15860688 YLGZVCYVPDEVDK-UHFFFAOYSA-N 447.560 6.312 0 40 IKAB COc1ccc(C(=O)N(Cc2cccnc2)c2nc3c(Cl)cccc3s2)cc1OC 15881802 RRSOYSFXGOXQMS-UHFFFAOYSA-N 439.924 5.209 0 40 IKAB CCOc1ccc(-c2nc3cc(NC(=S)NC(=O)c4ccc(C)c(C)c4)ccc3o2)cc1 16691989 FAKQGRPHHNVNSA-UHFFFAOYSA-N 445.544 5.637 0 40 IKAB CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCC)cc1OC 16751138 QTADKPMZMMXUDX-DEOSSOPVSA-N 449.547 5.716 0 40 IKAB Cc1cc(C)c2oc(-c3cc(NC(=S)NC(=O)c4ccccc4C)ccc3O)nc2c1 17097570 VMZXOHUUHAVENS-UHFFFAOYSA-N 431.517 5.252 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)CSc4ccc(Cl)cc4)cc3n2)cc1 17101002 CAJYJLSBNDQGPY-UHFFFAOYSA-N 436.968 5.676 0 40 IKAB CC(C)(C)c1cc(CCc2nnc(SCc3ccc(F)cc3)o2)cc(C(C)(C)C)c1O 18194008 GTKNWLDZQOYGNJ-UHFFFAOYSA-N 442.600 6.587 0 40 IKAB Cc1cc(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c(C)cc1I 19644179 JYECSCWWOIWYLW-GQCTYLIASA-N 446.115 5.867 0 40 IKAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccccc1C(=O)N1CCCCCC1 20039140 QVNKYMOEFXFLKZ-NRFANRHFSA-N 431.001 5.866 0 40 IKAB Cc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 20486469 NCIJKTZTONWRNL-QGZVFWFLSA-N 442.968 5.249 0 40 IKAB Cc1c(Cc2ccccc2)c(=O)oc2c(C)c3c(cc12)CN([C@@H](C)c1ccccc1)CO3 20610349 AUYLVDVNNTYPBM-FQEVSTJZSA-N 425.528 5.914 0 40 IKAB biogenic Cc1ccc(NC(=O)CCc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C(C)(C)C)C4)cc1F 21352468 ISJDXXZOKRBAMV-AWEZNQCLSA-N 441.572 5.154 0 40 IKAB O=C(CCc1ncc(-c2ccccc2F)o1)N1CCc2sccc2[C@@H]1c1cccs1 21493437 PGTPZLBBYAWIOH-HSZRJFAPSA-N 438.549 5.711 0 40 IKAB CC[C@H](NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)cc1 22535351 PVDBDFNKVHUYDB-QFIPXVFZSA-N 436.577 5.294 0 40 IKAB Cc1nc2ccc(NC(=O)c3ccc(C(F)(F)F)cc3)cc2c(=O)n1-c1ccc(F)cc1 23143854 VBZSURBNACLOBE-UHFFFAOYSA-N 441.384 5.104 0 40 IKAB O=c1c2ccccc2nc(SCc2coc(-c3ccccc3)n2)n1-c1ccc(F)cc1F 24282355 HQKLOQFCGZVVBS-UHFFFAOYSA-N 447.466 5.611 0 40 IKAB C[C@H]1CCc2c(sc3nc(CN4CCOCC4)nc(Nc4ccc(F)c(Cl)c4)c23)C1 25764427 VCTGSGFPDZJRFC-ZDUSSCGKSA-N 446.979 5.184 0 40 IKAB COc1ccccc1Oc1ccc(NS(=O)(=O)c2ccccc2Br)cc1 28781600 UDKPNCSBWGMYBF-UHFFFAOYSA-N 434.311 5.051 0 40 IKAB Cc1ccc(-c2nc(CSc3nnc(-c4cccnc4)n3-c3ccccc3C)no2)cc1 32905991 NRDYNDVIJCFCET-UHFFFAOYSA-N 440.532 5.288 0 40 IKAB O=C(/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCC[C@H]1c1cccs1 32988711 AQRDQZAPPZNJFI-GNNUASRNSA-N 426.545 5.373 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)Nc4ccccc4)cc3s2)cc1 33018317 JAOWWKNVBYZFDL-UHFFFAOYSA-N 448.573 5.980 0 40 IKAB COc1ccc(/C=C/c2nc3ccccc3nc2OCc2c(Cl)cccc2Cl)cc1 33561549 FASQSOQJUOAJAG-SDNWHVSQSA-N 437.326 6.695 0 40 IKAB Cc1ccc(-c2ccc(C(=O)NC(=S)N[C@H](C)C34CC5CC(CC(C5)C3)C4)o2)cc1C 33777036 TZWUBTYWUBGQNK-ZFGQVMFLSA-N 436.621 5.773 0 40 IKAB Cc1ccc(C2=NN3[C@@H](C2)c2cc(Cl)cc(Cl)c2O[C@H]3c2ccc(F)cc2)cc1 36352183 RZKSATDHOQETOI-GMAHTHKFSA-N 427.306 6.683 0 40 IKAB COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4cccc(C)c4)c3n2)c1 36617301 ZSVGGYWFMJRLQE-UHFFFAOYSA-N 425.460 5.365 0 40 IKAB COc1cc(/C=C2\SC(=O)N=C2Nc2ccccc2)ccc1OCc1c(C)noc1C 71287943 HHQASCKLUFUAOE-MTJSOVHGSA-N 435.505 5.597 0 40 IKAB COc1cccc(-c2nc(-c3noc4ccc(C(=O)NCc5ccccc5)cc34)co2)c1 96154362 UTXZFLTWAXDUMX-UHFFFAOYSA-N 425.444 5.088 0 40 IKAB CCc1cccc(N2C(=O)N(C(=O)c3ccc(F)cc3)[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100032783 WKDQBWBKWTXVJQ-BKMJKUGQSA-N 430.479 5.711 0 40 IKAB COc1ccc([C@H]2c3c(ncn(Cc4ccco4)c3=N)Oc3ccc4ccccc4c32)cc1 100557525 TVZKPSIKBLOQJQ-HSZRJFAPSA-N 435.483 5.452 0 40 IKAB aggregator C[C@H](NC(=O)c1cc(-c2ccc(C(C)(C)C)cc2)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 102639883 JZHYJIYCLMFOKD-OEEHMVQOSA-N 426.604 6.754 0 40 IKAB CCCCOc1ccc(/C=C2\SC(=O)N(Cc3ccc(Cl)cc3Cl)C2=O)cc1 106700768 CPSSAAHQJYHEQE-ODLFYWEKSA-N 436.360 6.409 0 40 IKAB COc1cc(CNc2ccc(C)c(Cl)c2)cc(Br)c1OCc1ccccc1 106970904 MJXYZFZLFIVWNK-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB Cc1ccccc1NC(=O)COc1ccc(CNc2ccc(Cl)c(Cl)c2)cc1Cl 108912216 XUDWDIBVEGVQBL-UHFFFAOYSA-N 449.765 6.585 0 40 IKAB CCCNC(=O)[C@@H](Cc1ccccc1)N(Cc1ccccc1)C(=O)Cc1cccc(Cl)c1 224021193 CKDKEWBQDAAUBV-RUZDIDTESA-N 448.994 5.049 0 40 IKAB Cc1ccc([C@@H](NC(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)C(C)C)c(C)c1 224025913 LUIIEIGQAFLEPI-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cc(C(=O)Nc3ccc(C(C)C)cc3)ccc2C)cc1 224057328 BSPJFZDEWDWIJT-UHFFFAOYSA-N 438.549 5.180 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1 224215065 SSQDXXDNKKMDLD-ZEQRLZLVSA-N 445.975 6.481 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1cccc(C)c1)C(=O)Cc1ccccc1Cl 224240283 FJWDPSWGBWOXNV-HSZRJFAPSA-N 426.988 5.057 0 40 IKAB Cc1cc(C)cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)c1 224292570 GLVOZFZPKDPEDS-DNQXCXABSA-N 425.561 5.061 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccccc2F)c(C)n1C1CCCCC1 224430170 IQKVUKJNCXVNFW-JWQCQUIFSA-N 448.611 6.321 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1COc1ccc(C)cc1 224469316 RCPRILWKQZZCEG-UHFFFAOYSA-N 425.912 5.887 0 40 IKAB COc1cccc(-c2cnc(-c3ccccc3C(=O)Nc3cc(OC)ccc3OC)o2)c1 224901341 WMNIVBNGYYKAMM-UHFFFAOYSA-N 430.460 5.287 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)COc1ccc(C(C)C)cc1 225197758 KQXDWNFPDIIIFJ-MOPGFXCFSA-N 445.003 5.174 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)CSCc1ccccc1Cl 225459657 CYTMOOVHPPITFI-GCJKJVERSA-N 447.044 5.295 0 40 IKAB CC[C@@H](C(=O)N[C@H](C)CC)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 225492035 BUWQNACTJVZIAX-IERDGZPVSA-N 435.395 5.258 0 40 IKAB C[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1)c1ccc(C(C)(C)C)cc1 225581851 WVBPMOLPFYPIAW-KRWDZBQOSA-N 430.995 5.866 0 40 IKAB CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@@H]1CCOC2(CCN(C(C)C)CC2)C1 257234839 GVHGVVMEKDJGJK-RUZDIDTESA-N 434.624 5.089 0 40 IKAB CCCc1s/c(=N\C(=O)c2cc(OC)cc(OC)c2)n(CC)c1-c1ccc(C)c(C)c1 408562258 OKYKGWHQPCFHJU-QPLCGJKRSA-N 438.593 5.564 0 40 IKAB Cc1cccc(N2C(=O)[C@@H]3[C@H](C2=O)C2(Cl)c4ccccc4C3(Cl)c3ccccc32)c1 408667549 VROAYMIMWGCRKM-JUJAOGAQSA-N 434.322 5.093 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2ncnc3oc(-c4ccco4)c(-c4ccco4)c23)cc1 408978158 YMJKGAKXHPUINH-UHFFFAOYSA-N 427.460 6.293 0 40 IKAB CCc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2)cc1 409103654 CUTKGJNJGOAVCU-UHFFFAOYSA-N 428.561 5.536 0 40 IKAB O=C(CSCc1c(Cl)cccc1Cl)NCCSCc1ccccc1Cl 409168308 PXBDLBQMJBZMFS-UHFFFAOYSA-N 434.841 5.930 0 40 IKAB Cc1ccc(C)c(NC(=O)COc2ccc(CNc3cc(Cl)ccc3C)cc2Cl)c1 409375197 GZCFCHVPNSMWCM-UHFFFAOYSA-N 443.374 6.548 0 40 IKAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H](c2ncc(Cc3ccccc3Cl)o2)C1 2037845998 KQHKDDGQHLLGKY-QGZVFWFLSA-N 437.902 5.559 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)c1cc(Br)cc(Br)c1O 537744 VYKKDKFTDMVOBU-UHFFFAOYSA-N 439.025 5.188 0 40 IKAB biogenic,in-man CCOC(=O)c1ccccc1NC(=O)c1cc(-c2ccc3c(c2)OCO3)nc2ccccc12 659058 PKNPIDVHGBLRBK-UHFFFAOYSA-N 440.455 5.060 0 40 IKAB COc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)C(=O)Nc2ccccc2F)cc1 1378255 KEIJZIXZGLITNN-UHFFFAOYSA-N 445.494 5.219 0 40 IKAB O=C(Nc1ccc([C@H]2CC2(Cl)Cl)cc1)c1cccc(I)c1 1442233 XWSMGXGXLYQZRG-CQSZACIVSA-N 432.088 5.205 0 40 IKAB Cc1sc(NC(=O)CCCOc2ccc(Cl)cc2Cl)c(C(=O)OC(C)C)c1C 2082046 XDLREKBPCKCOQE-UHFFFAOYSA-N 444.380 6.035 0 40 IKAB CCCCc1cc(=O)oc2c3c(ccc12)OCN(c1ccc(Oc2ccccc2)cc1)C3 2123433 YZKZGURFAQDDBV-UHFFFAOYSA-N 427.500 6.284 0 40 IKAB biogenic Cc1cc(C)cc(-c2nnc3sc([C@H](C)c4ccc(-c5ccccc5)c(F)c4)nn23)c1 2182987 YGJHMAIMHJMMPB-QGZVFWFLSA-N 428.536 6.428 0 40 IKAB Cc1ccc(-n2c(COc3ccccc3)nnc2SCC(=O)Nc2ccccc2C)cc1 2432282 INYQEDFPNKRYPH-UHFFFAOYSA-N 444.560 5.194 0 40 IKAB Cc1ccc(-n2c(N)c(C(=O)N[C@@H](C)CCCC(C)C)c3nc4ccccc4nc32)cc1 2442735 CPAXHZXEAVHAPL-SFHVURJKSA-N 429.568 5.409 0 40 IKAB Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 2543407 LLGCHYSXNQYQPY-UHFFFAOYSA-N 431.197 6.108 0 40 IKAB COc1cc(C(=O)Nc2nc(-c3ccc(Cl)cc3Cl)cs2)cc(OC)c1OC 2549543 NHDZOMUYBGHXJO-UHFFFAOYSA-N 439.320 5.395 0 40 IKAB CCc1c(-c2cccc(OC)c2)nn(Cc2cc(C)ccc2C)c1-c1cccc(OC)c1 2733461 SCZDRPOPUIKEFF-UHFFFAOYSA-N 426.560 6.462 0 40 IKAB COC(=O)c1ccc(NC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2764398 ZMWVWEAILKAIKB-UHFFFAOYSA-N 430.891 5.903 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cccc(OC(=S)Nc2cccc3ccccc23)c1 3087770 WGTHSEHJQLBXLM-UHFFFAOYSA-N 432.932 6.521 0 40 IKAB CCCC[C@H](CC)CN/C=C1/C(=O)N(c2cccc(C(F)(F)F)c2)C(=O)c2ccccc21 3205215 KGHLJBPWRRBGSW-JMMZKRSASA-N 444.497 6.039 0 40 IKAB O=C(NC(=S)Nc1ccc(OCc2ccccc2)cc1)c1ccccc1Br 3281359 KPTZEDZXPCRNML-UHFFFAOYSA-N 441.350 5.155 0 40 IKAB CCc1ccc(OCc2nnc(SCc3ccc(C(=O)OC)cc3)n2CC(C)C)cc1 3282921 WEPCGIGJGDEBMZ-UHFFFAOYSA-N 439.581 5.154 0 40 IKAB CC(C)c1ccccc1-n1c(SCC(=O)N2CCCC2)nnc1-c1ccc(Cl)cc1 3288967 ZIBVHXZYWJPXIK-UHFFFAOYSA-N 441.000 5.426 0 40 IKAB CCc1ccc(NC(=O)[C@@H](C)Sc2nc3ccccc3n2-c2ccc(OC)cc2)cc1 3360066 TYUKSYAFNBGIEX-QGZVFWFLSA-N 431.561 5.716 0 40 IKAB CCCCOc1ccc(-c2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccccc2)cc1 4321401 JVOMJKKNOPZQMU-UHFFFAOYSA-N 425.576 7.078 0 40 IKAB Cc1ccc(NC(=S)N(Cc2cc3ccc(C)c(C)c3[nH]c2=O)C2CCCCC2)cc1 6245288 UJZCZZQKANZTFR-UHFFFAOYSA-N 433.621 5.985 0 40 IKAB CC(C)(C)c1ccc(C(=O)CN(C2=NCCCCC2)c2ccc(OC(F)F)cc2)cc1 6858837 YDDKUPJKNMLVCN-UHFFFAOYSA-N 428.523 6.247 0 40 IKAB COc1ccc(-c2cc(C(F)(F)F)c3c(N)c(C(=O)c4ccccc4)sc3n2)cc1 8451162 RXTDXFWFZSMVLX-UHFFFAOYSA-N 428.435 5.804 0 40 IKAB CCc1ccccc1N1C[C@@H](c2nc3ccccc3n2CCOc2ccccc2C)CC1=O 8755245 FVPSYZYUGNWPDO-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB CCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2Cc2cccnc2)c1 8846264 UWSLYXHQJRCDMZ-XMMPIXPASA-N 440.499 5.031 0 40 IKAB Cn1c(Sc2cccc(Cl)c2)c(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 8857352 BLNDHLGODLLQQB-UHFFFAOYSA-N 427.356 6.889 0 40 IKAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc(C)n(C[C@@H]3CCCO3)c2C)cc1 9114021 GWSQTMKXKRNSQO-SQJMNOBHSA-N 431.536 5.064 0 40 IKAB COc1ccc([C@H]2C(=O)N(c3cccc(C)c3C)CC(=O)N2c2ccc(C)cc2C)cc1 9129872 KNRQSSDOFABHKV-SANMLTNESA-N 428.532 5.050 0 40 IKAB Cc1cc2oc3c(c(=O)c2cc1C)[C@H](c1ccc(C(C)C)cc1)N(Cc1ccco1)C3=O 9215685 ZEKFAXYJDKNDDO-DEOSSOPVSA-N 427.500 5.872 0 40 IKAB Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(Cl)c3C)n2-c2ccccc2)cc1 9309424 MDBOFCHSZNUPSD-UHFFFAOYSA-N 448.979 5.935 0 40 IKAB O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccco2)N1c1nc2ccc(Cl)cc2s1 9449313 UTIYMMCQUPSVPN-SFHVURJKSA-N 434.860 5.399 0 40 IKAB C[C@H](Nc1ccc(Cc2nc3ccccc3s2)cc1)C(=O)Nc1ccc2c(c1)OCCO2 9469615 KFEZBUMUBUOSPO-INIZCTEOSA-N 445.544 5.097 0 40 IKAB O=C1N[C@@](Cc2ccccc2)(c2ccccc2)C(=O)N1Cc1csc(-c2cccs2)n1 9494068 GKOFZDSUQXBNSL-DEOSSOPVSA-N 445.569 5.062 0 40 IKAB COc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1nnc(-c2cccs2)n1C1CC1 9646137 VRBMUAROTRQOMA-LLVKDONJSA-N 434.974 5.123 0 40 IKAB O=C(CSc1nnc(Cc2ccccc2)o1)c1c(-c2ccccc2)[nH]c2ccccc12 9683539 SHGDOXABGAWJHW-UHFFFAOYSA-N 425.513 5.784 0 40 IKAB CCCCc1ccc(NC(=O)c2ccc3c(c2)C[C@@H](C)N3S(=O)(=O)c2ccccc2)cc1 10326261 GAHGYUXDHKFNPF-LJQANCHMSA-N 448.588 5.421 0 40 IKAB Cc1c(-c2ccc(Br)cc2)c(=O)oc2ccc(OCC(=O)OC(C)(C)C)cc12 11866275 LSOLFOWFGCQKAN-UHFFFAOYSA-N 445.309 5.251 0 40 IKAB biogenic CCCCOc1ccc(C2=NNC(c3ccc(C(C)(C)C)cc3)=Nc3ccc(C)cc32)cc1 12484445 KYCTYYULEVXVHE-UHFFFAOYSA-N 439.603 6.905 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C3SCCS3)c2)c(Br)c1 12521128 CGPQSMHZMGPPLI-UHFFFAOYSA-N 430.414 5.037 0 40 IKAB CC[C@H](C)Cc1c(C)sc2nc(S[C@H](C)c3nnc(-c4cccs4)o3)[nH]c(=O)c12 12595655 YCFULQFJDRGXSI-CMPLNLGQSA-N 446.623 5.846 0 40 IKAB COc1ccc(-c2nnc(S[C@@H](C(=O)Nc3cccc(OC)c3)c3ccccc3)o2)cc1 12615423 WQTKZWIYVXGSBF-OAQYLSRUSA-N 447.516 5.226 0 40 IKAB COc1ccc([C@@H](C(=O)NC2CCCC2)N(Cc2ccc(C)cc2)C(=O)c2ccco2)cc1 13026520 CWJOPWDSHCXTSF-VWLOTQADSA-N 446.547 5.039 0 40 IKAB COc1ccc(-c2nnc(SCC(=O)N3[C@@H](C)CCC[C@H]3C)n2C2CCCCC2)cc1 13128208 BWHSEWJHDCIGCM-HDICACEKSA-N 442.629 5.341 0 40 IKAB Cc1cc(=O)oc2cc(OCC(=O)N(Cc3ccccc3)Cc3ccccc3)c(Cl)cc12 13128976 UGPWGLXOEPDXOY-UHFFFAOYSA-N 447.918 5.363 0 40 IKAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1Sc1ccc(Cl)cc1 13146271 LDWSCRMTZGXWSM-UHFFFAOYSA-N 441.936 5.685 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 13514402 MVMDECIMXWXGAN-KSSFIOAISA-N 448.589 5.029 0 40 IKAB Brc1ccc(/C=C2/SC=C(c3ccc(Br)cc3)S2)cc1 13600853 YRSWKXRKPPAXSM-SXGWCWSVSA-N 426.198 6.989 0 40 IKAB CCn1c(CSCc2ccc(Cl)cc2)nnc1SCC(=O)Nc1ccc(C)cc1 13880431 CQXPRXRZKIXAEX-UHFFFAOYSA-N 447.029 5.424 0 40 IKAB Cc1nn(Cc2ccccc2)c(C)c1CN[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 14123653 ZBDIALSRJLAXIC-SANMLTNESA-N 442.538 5.157 0 40 IKAB COc1ccc(-c2c(C)nn3c2N=C(c2ccco2)C[C@H]3c2ccc(OC)c(OC)c2)cc1 14607119 XYFHZSSJBJUESM-NRFANRHFSA-N 443.503 5.591 0 40 IKAB O=C(CCc1ncc(-c2ccc(F)cc2F)o1)Nc1cc(Cl)ccc1N1CCCC1 14777434 LHGCQBFDUKZUCF-UHFFFAOYSA-N 431.870 5.445 0 40 IKAB O=C(Nc1ccc(/N=N/c2ccccc2)cc1)c1ccc(-c2ccc([N+](=O)[O-])cc2Cl)o1 15544023 MRFYSWMKVMRKOP-CYYJNZCTSA-N 446.850 7.176 0 40 IKAB Cc1ccccc1COc1ccccc1C(=O)OCC(=O)NCC12CC3CC(CC(C3)C1)C2 16044509 FBDHQTLHXJYKSB-UHFFFAOYSA-N 447.575 5.063 0 40 IKAB CCC[C@@H](NCc1nc2ccccc2c(=O)n1-c1ccc(OCC)cc1)c1ccccc1 16046675 NTIMZCLFZCADID-XMMPIXPASA-N 427.548 5.415 0 40 IKAB COc1ccc(CCNCc2cc(Cl)c(OCc3ccccc3)c(OC)c2)cc1OC 16227397 LQXRQCLXFQFBEM-UHFFFAOYSA-N 441.955 5.277 0 40 IKAB CCCCCNCc1cc(Cl)c(OCc2ccc(Cl)cc2Cl)c(OCC)c1 16638535 LURFAUJOKBGXDT-UHFFFAOYSA-N 430.803 6.904 0 40 IKAB CC[C@@H](Sc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Cl)cc1)C(=O)OC 16757869 RURMAIDMVFLLSP-LJQANCHMSA-N 437.952 5.785 0 40 IKAB CCc1ccc(C(=O)NC(=S)Nc2ccc(O)c(-c3nc4ccc(C)cc4o3)c2)cc1 17097571 XOXQEEFMIQQMDK-UHFFFAOYSA-N 431.517 5.198 0 40 IKAB CC[C@@H](C)c1ccc(NC(=S)NC(=O)c2cc(Br)cc(C)c2OC)cc1 17099458 UUBLTVFLMBMXDE-GFCCVEGCSA-N 435.387 5.406 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2ccc(-c3nc4ccc(C)cc4o3)cc2)c(Cl)c1 17099845 KFHGEGIPOOSJRK-UHFFFAOYSA-N 435.936 5.892 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)cc1 19645748 OJXUZPIEZICTMT-UHFFFAOYSA-N 447.391 5.061 0 40 IKAB CCc1ccccc1NC(=O)[C@@H](C)Oc1ccc(Br)cc1Br 19881440 ZPHSCMHBYJWILW-LLVKDONJSA-N 427.136 5.180 0 40 IKAB COc1cc(C(=O)Nc2nc(C(F)(F)F)c(-c3ccccc3)s2)cc(OC)c1OC 20070188 UUEUQAMWYCURPI-UHFFFAOYSA-N 438.427 5.107 0 40 IKAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)Nc1ccccc1 20110693 AUKBNGAPKKUQGJ-QHCPKHFHSA-N 436.577 5.313 0 40 IKAB CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)cc2)CC1 20454906 RQBZVQJYWWXDIU-UHFFFAOYSA-N 433.596 5.187 0 40 IKAB O=C(CSC1=NC2(CCCCC2)NC2=C1CCCC2)c1ccc(Br)cc1 20458601 GJUBCTMUPYMIMJ-UHFFFAOYSA-N 433.415 5.855 0 40 IKAB Cc1cccc(CSc2nc3nc4c(cn3n2)C(=O)C[C@H](c2ccc(C(C)C)cc2)C4)c1 20671718 UYHQRJDQVQBAPS-OAQYLSRUSA-N 442.588 5.761 0 40 IKAB CC(=O)Nc1ccc(NC(=O)c2ccccc2-c2ccc(C(F)(F)F)cc2)cc1Cl 21901582 SOPFOTXORFROMS-UHFFFAOYSA-N 432.829 6.237 0 40 IKAB Cn1c(SCC(=O)Nc2ccccc2Cl)nc2cc(-c3ccccc3)sc2c1=O 23127052 YRDKPNXEAKXRKX-UHFFFAOYSA-N 441.965 5.046 0 40 IKAB Cc1cccc(Nc2nnc(SCc3ccccc3Cl)n(-n3cccc3)c2=O)c1C 28536337 PKLLKFKAXFEDPP-UHFFFAOYSA-N 437.956 5.057 0 40 IKAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NCc1ccc(OCc2ccccc2)cc1 32796493 COBCJSLUXQHHMK-UHFFFAOYSA-N 447.922 5.218 0 40 IKAB CCCCOc1ccc(Cl)cc1/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)N=C1O 34702437 NPPUURUCLONAIB-GZTJUZNOSA-N 433.291 5.679 0 40 IKAB CC(=O)N1C(=N)S/C(=C/c2cc3cccc(C)c3nc2Sc2ccc(C)cc2)C1=O 35147597 WUBCSZIQIPFPSE-XMVHLTQBSA-N 433.558 5.400 0 40 IKAB Cc1c(Br)c(N)c(Br)c(C)c1NC(=O)c1cccc2ccccc12 45890558 YYSAUGGDRHVAPB-UHFFFAOYSA-N 448.158 5.816 0 40 IKAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2c(C(C)C)cccc2C(C)C)cs1 65578392 WZMXFFXMFMRGHJ-UHFFFAOYSA-N 425.554 5.725 0 40 IKAB Cc1ccc(C)c(-n2c(C)nnc2SCC(=O)N(C)Cc2cccc(Cl)c2Cl)c1 68979964 MZCGYLFDTWGGSH-UHFFFAOYSA-N 449.407 5.250 0 40 IKAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCN(c2ncnc3ccsc23)CC1 70007249 YRGIAHBLTDFEEV-NRFANRHFSA-N 435.597 5.384 0 40 IKAB CCCCOc1ccc(C2=NC(C)(C)N=C2SCC(=O)Nc2cccc(OC)c2)cc1 71328009 NJXJEMLOQGDXMI-UHFFFAOYSA-N 439.581 5.183 0 40 IKAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCCN1C(=O)OC(C)(C)C)C1CCC1 72215531 VOCITFOIFKWOJF-IBGZPJMESA-N 431.577 5.838 0 40 IKAB COc1cc(-c2coc3ccc(OCc4ccc(C(C)C)cc4)cc23)cc(OC)c1OC 96116503 RCNSDYJMFOYEIO-UHFFFAOYSA-N 432.516 6.828 0 40 IKAB biogenic CC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C)cc3)CC(O)=C2[C@@H]1c1ccc(C)cc1 100425930 VEDLRAWCYYZOTG-IADCTJSHSA-N 436.555 6.873 0 40 IKAB COc1ccc(-c2csc(C3=C(O)CN(c4ccc(F)c(Cl)c4)C3=N)n2)cc1OC 102726090 BVTMWAOBMRZMIA-UHFFFAOYSA-N 445.903 5.386 0 40 IKAB CCOc1ccc(CCC(=O)O)cc1-c1cc(-c2ccc(F)cc2)n(Cc2ccccc2)n1 103298860 SLLFACHWAOAFMT-UHFFFAOYSA-N 444.506 5.820 0 40 IKAB CCOc1cc(/C=C2\SC(=O)N(Cc3ccccc3Cl)C2=O)ccc1OC(F)F 106683566 PHIMJANYIMBWQP-YVLHZVERSA-N 439.867 5.577 0 40 IKAB CC(C)(C)c1ccc(OC(=O)c2ccc3nc(-c4ccco4)c(-c4ccco4)nc3c2)cc1 107886548 JGICUTAFOAOVDQ-UHFFFAOYSA-N 438.483 6.667 0 40 IKAB COc1ccc([C@@H]2N(Cc3ccccc3)c3ccccc3C(=O)N2c2ccc(C)cc2)cc1 113928938 CWHXEFZGRCFBKS-MUUNZHRXSA-N 434.539 6.369 0 40 IKAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CCCN1C(=O)c2cccc3cccc1c23 219473088 YWCCKDCXPGCTOY-NRFANRHFSA-N 444.531 5.007 0 40 IKAB Cc1ccccc1CC(=O)N(Cc1ccc(Cl)c(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 222984279 WQONJRMKWCEBPD-MRXNPFEDSA-N 435.395 5.176 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)Cc1c(F)cccc1Cl 223083022 YYAYSOFZJRDNRM-LSDHHAIUSA-N 439.358 5.007 0 40 IKAB COc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2ccn(-c3ccccc3)c2)cc1 223779888 ZOAXGESRCNKWFW-ZEQRLZLVSA-N 426.545 5.058 0 40 IKAB Cc1ccc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1N(C)S(=O)(=O)c1ccccc1 224289876 JJFKKAGQUABHKI-UHFFFAOYSA-N 449.359 5.379 0 40 IKAB Fc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3c3ccc(Cl)cc3)o2)cc1 224476197 ATMYNDULLYAODO-GOTSBHOMSA-N 449.938 6.311 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)COc1ccc(C(C)(C)C)cc1 225040492 PWSGRMKJIDNLGN-RTWAWAEBSA-N 438.612 5.003 0 40 IKAB CC(C)(C)c1ccc(-c2noc(CNC(=O)CSCc3ccc(Cl)cc3F)n2)cc1 225269946 TUVOYFAUJJYLDP-UHFFFAOYSA-N 447.963 5.376 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCSc1ccccc1 225644181 OZNMMPHZLVNLCT-PGRDOPGGSA-N 430.589 5.030 0 40 IKAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(OCc2ccccc2Cl)cc1 225682472 GEWFIUAZNZUWBL-UHFFFAOYSA-N 435.951 5.397 0 40 IKAB Cc1cc(-c2cc3c(NC4CCN(Cc5ccccc5)CC4)n[nH]c3nc2C(C)C)on1 257271477 MYMLVZVDRZWMNO-UHFFFAOYSA-N 430.556 5.121 0 40 IKAB CC[C@H](C)/C=C(\C)CCC[C@H](C)/C=C(C)/C=C(\C)C[C@H](C)c1oc(=O)c(C)c(O)c1C 257790658 ZPFTUJZLXSKBKE-DQYSFDJVSA-N 428.657 8.147 0 40 IKAB biogenic Cc1cc(Br)ccc1NCc1ccc(OCc2cccc(F)c2)c(Cl)c1 408610169 OBDPBJZKVKRRFD-UHFFFAOYSA-N 434.736 6.741 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(-c4ccc(C(=O)OC)cc4C)o3)S2)cc1 408773060 PNBAIYBCZROUHU-GLSAMTQTSA-N 448.544 5.204 0 40 IKAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 408923336 WAQUSOTWIORJFO-OAHLLOKOSA-N 446.981 5.260 0 40 IKAB CC[C@H](C)Oc1c(Cl)cc(/C=C2/NC(=O)N(c3cccc(Cl)c3)C2=O)cc1OC 409076187 ZEMDWQSMIHNYDZ-UWONZBIMSA-N 435.307 5.277 0 40 IKAB Cc1ccc(NC(=O)Cn2nc(COc3ccc4c(c3)CCCC4)oc2=S)cc1Cl 409150150 AMQBAVWUFJUGKB-UHFFFAOYSA-N 443.956 5.264 0 40 IKAB CCCOc1c(Br)cc(Br)cc1CNc1ccccc1Cl 409178360 LDSSLQXAKVJWDQ-UHFFFAOYSA-N 433.571 6.266 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccccc2OC(=O)c2cccc(C)c2)C(=O)O1 409193770 MIEIECKQCWKXEZ-MOSHPQCFSA-N 447.874 5.221 0 40 IKAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1Br 409235268 OMHSVJPLXNTIRH-UZUMKDMXSA-N 443.341 5.028 0 40 IKAB COc1cc(CNc2cc(Cl)ccc2C)ccc1OCC(=O)Nc1cc(C)ccc1C 409376275 WOVJJCNKEARUON-UHFFFAOYSA-N 438.955 5.903 0 40 IKAB CN(C1CCCCC1)S(=O)(=O)c1nc(-c2ccccc2)oc1-c1ccc(Cl)cc1 585152253 HELYCYSLVMMWBD-UHFFFAOYSA-N 430.957 5.615 0 40 IKAB CC(C)[C@@H]1C[C@H](c2ccc(Cl)cc2)CO[C@H]1c1ccc(OCCN2CCCC2)cc1 585293276 YZFFUWOAWAOOEH-HRNNMHKYSA-N 428.016 6.332 0 40 IKAB O=C(Nc1ccc(Oc2ccccc2)cc1)N1CCCC2=C[C@@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]21 1083103379 QDTHBJRRNHWFTN-SZUBIPLGSA-N 443.591 5.906 0 40 IKAB C[C@@H](c1ccccc1)N1C[C@@H](c2ccccc2)[C@@H]2C(=O)CN(C(=O)OC(C)(C)C)CC[C@H]21 1547139771 HBCKQDJNNYSOKP-DLRXVWRPSA-N 434.580 5.042 0 40 IKAB O=C(CSc1nc(-c2cccs2)cc(C(F)(F)F)n1)N1CCCc2ccccc21 646570 PVNVELUOBOYCIZ-UHFFFAOYSA-N 435.496 5.295 0 40 IKAB C[C@H]1CCc2c(sc(NC(=O)c3sc4cccc(Cl)c4c3Cl)c2C(N)=O)C1 648987 DRKLODRBHHVWPZ-QMMMGPOBSA-N 439.389 5.746 0 40 IKAB Cc1ccc(Nc2nc(-c3ccc(NS(=O)(=O)c4ccc(C)cc4)cc3)cs2)cc1 986069 MOWQWOUMWHUTMD-UHFFFAOYSA-N 435.574 5.971 0 40 IKAB Cc1ccc2cc(CN(CCc3ccccc3)C(=O)NCc3ccccc3)c(=O)[nH]c2c1C 1371047 GVSNOEHEHAXDFV-UHFFFAOYSA-N 439.559 5.099 0 40 IKAB FC(F)(F)c1cccc(N2CCN(c3c4c(nc5ccccc35)CCCCC4)CC2)c1 1699188 NDFHYNGHISPSMD-UHFFFAOYSA-N 425.498 5.849 0 40 IKAB COc1ccc(/C=C/C(=O)Nc2nc(-c3ccccc3Cl)cs2)cc1Br 1791173 WLTBBGZQUBVWQU-VQHVLOKHSA-N 449.757 5.887 0 40 IKAB Cc1cccc(-c2nc3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3o2)c1 2081553 NFZRSSFEVBSNHC-UHFFFAOYSA-N 441.712 6.471 0 40 IKAB Cc1ccc(-c2csc(NC(=O)c3cc(-c4ccc(C)cc4)nc4ccccc34)n2)cc1 2754423 ZSPVOFKTMLFKHW-UHFFFAOYSA-N 435.552 6.894 0 40 IKAB O=C(O[C@@H](C(=O)Nc1cc(C(F)(F)F)ccc1Cl)c1ccccc1)c1ccccc1O 3247225 SYPOBDLKJSAJCP-LJQANCHMSA-N 449.812 5.601 0 40 IKAB COc1ccc(C(=O)[C@@H](Sc2nnc(-c3cccs3)o2)c2ccc(OC)cc2)cc1 3287939 SLMDLVPVTAPQSO-FQEVSTJZSA-N 438.530 5.532 0 40 IKAB Clc1ccc(SCc2nc(NC[C@@H]3CCCO3)c3c4c(sc3n2)CCC4)cc1 3304537 LRMLZIAYIHLCFF-AWEZNQCLSA-N 432.014 5.717 0 40 IKAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1c2c(nc3ccccc13)CCCC2 3509920 QINMFDSPWGDKSY-UHFFFAOYSA-N 430.548 5.098 0 40 IKAB CC(C)COc1ccc(C(=O)Nc2c(C(=O)c3ccc(F)cc3)oc3ccccc23)cc1 3655483 DXRBEPOQKBMJJJ-UHFFFAOYSA-N 431.463 6.090 0 40 IKAB COc1ccc(CN2C(=O)c3ccccc3[C@H]2N[C@H](C)C23CC4CC(CC(C4)C2)C3)cc1 4676895 CPLKMMGVQMTAPZ-RKYVTRPCSA-N 430.592 5.544 0 40 IKAB Cc1ccccc1CN1C(=O)[C@@](O)(CC(=O)c2cc(C(C)C)ccc2C)c2ccccc21 4784375 CTVRCVAIAQHOEX-MUUNZHRXSA-N 427.544 5.434 0 40 IKAB Cc1cccc(OC(=O)c2cc(-c3ccc(Br)cc3)nc3c(C)cccc23)c1 8450142 RTQCDNZCFBZBRE-UHFFFAOYSA-N 432.317 6.500 0 40 IKAB C[C@H](Sc1nnc(N2CCCCC2)n1-c1ccccc1)c1nnc(-c2ccccc2)o1 8710434 AFPCIPAIZGJXKC-KRWDZBQOSA-N 432.553 5.161 0 40 IKAB CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 8752307 GSUHFFLOLSWGFJ-QFIPXVFZSA-N 439.559 5.588 0 40 IKAB COc1cccc(C(=O)Nc2c(-c3cc(=O)oc4c(C)cc(C)cc34)oc3ccccc23)c1 8764340 GJOFNIBNSURKOQ-UHFFFAOYSA-N 439.467 6.084 0 40 IKAB biogenic COc1c(C(=O)Nc2ccc3c(c2)oc2ccccc23)cc2ccccc2c1Br 8832375 LHVFMRPTKKBMST-UHFFFAOYSA-N 446.300 6.763 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 8832460 GFPVKCSJMLIFPT-ZDUSSCGKSA-N 449.016 5.448 0 40 IKAB COc1cc(CSc2nc(CC(=O)Nc3c(C)cccc3C)cs2)cc(OC)c1 8853750 GXPRFNUFDGODOS-UHFFFAOYSA-N 428.579 5.251 0 40 IKAB Clc1ccc(Sc2nc(SCc3ccccc3)nc3ccsc23)c(Cl)c1 8873073 WSLVYMGYJHIFRR-UHFFFAOYSA-N 435.426 7.442 0 40 IKAB O=C(CSc1ncnc2scc(-c3ccccc3)c12)N1CCC[C@H]1c1cccs1 9245082 NCAWKFUDVYIDFW-KRWDZBQOSA-N 437.615 5.876 0 40 IKAB O=c1sc2ccccc2n1Cc1nnc(SCc2ccccc2F)n1-c1ccccc1 9382833 BGRFTRUHZYWXAP-UHFFFAOYSA-N 448.548 5.123 0 40 IKAB COc1ccc(C(=O)N(Cc2cc3ccc(C)cc3[nH]c2=O)c2ccc(C)cc2)cc1OC 9463896 GWHCNSHBAGZAMQ-UHFFFAOYSA-N 442.515 5.009 0 40 IKAB CC(=O)N1CCC(C(=O)Nc2nc(-c3ccc(C)cc3)c(-c3ccc(C)cc3)s2)CC1 9464008 KXPVVBBHAHCWFS-UHFFFAOYSA-N 433.577 5.291 0 40 IKAB CCn1c(SCC(=O)N[C@H]2CCCC[C@H]2C)nnc1-c1ccc(Cl)cc1Cl 9848363 JSZUMIQDTMJTQL-WBMJQRKESA-N 427.401 5.059 0 40 IKAB Cc1ccc(-n2ncc3c(Nc4ccc(Oc5ccccc5)cc4)ncnc32)cc1Cl 10253720 XCXXAJRNYVCRLE-UHFFFAOYSA-N 427.895 6.313 0 40 IKAB CC(C)C(=O)N1CCCc2cc(-c3csc(N(C)C(=O)c4ccc(F)cc4)n3)ccc21 12220039 QZMOVVWUKOCMOW-UHFFFAOYSA-N 437.540 5.161 0 40 IKAB COc1ccc(C2=NN3[C@@H](C2)c2cccc(OC)c2O[C@@H]3c2ccc(F)cc2)cc1OC 12273728 LWTDUWPNTJNGAZ-NBGIEHNGSA-N 434.467 5.094 0 40 IKAB CC(C)n1c(-c2ccc(Cl)cc2Cl)nn(CN(C)Cc2ccc(F)cc2)c1=S 13073103 PYRAZPUHHBKENS-UHFFFAOYSA-N 439.387 6.197 0 40 IKAB O=C(CSc1nc(-c2ccccc2)nc2c(C(F)(F)F)cccc12)Nc1ccccc1 13084494 VSZCYEYORBSYQS-UHFFFAOYSA-N 439.462 6.046 0 40 IKAB O=C(Nc1cccc(Cl)c1)N1N=C2[C@H](Cc3ccccc3)CCC[C@@H]2[C@@H]1c1ccccc1 13303626 OXLKVVAPTOWHKX-CVJWPJSTSA-N 443.978 6.944 0 40 IKAB COc1ccc2c(c1)/C(=C1\N=C(c3ccccc3)OC1=O)C=C(c1ccc(SC)cc1)O2 13610030 XHLHKWCBPXCXDX-FLFQWRMESA-N 441.508 5.565 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(C)cc2C)nnc1[C@H](C)Oc1ccccc1Cl 13870835 DHCNMQSCQGGWSS-INIZCTEOSA-N 444.988 5.439 0 40 IKAB CCCCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(OC)cc4)cc3n2)cc1 14272727 ZSLVSYSPNRTQPC-UHFFFAOYSA-N 444.535 5.098 0 40 IKAB NC(=O)CSc1nnc(-c2sc3ccccc3c2Cl)n1-c1ccc(Cl)cc1 15441321 XOIKSZAMNBMOQQ-UHFFFAOYSA-N 435.361 5.033 0 40 IKAB CCc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)OCc2ccc(Br)cc2)cc1 16161690 YQMIAIPNCRTRQC-RTWAWAEBSA-N 444.369 5.500 0 40 IKAB COc1cccc(OC)c1C(=O)Nc1cc2nn(-c3ccc(C(C)C)cc3)nc2cc1C 16193232 KRMMKBBXVRYQDT-UHFFFAOYSA-N 430.508 5.122 0 40 IKAB COc1cc2c(cc1NC(=O)CCCc1nc(-c3ccccc3)no1)oc1ccccc12 16706017 FTYPEVGVUVIXHE-UHFFFAOYSA-N 427.460 5.606 0 40 IKAB CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(NS(=O)(=O)c3ccccc3)cc12 16779573 UDCYERFPUMYJQU-UHFFFAOYSA-N 448.544 5.225 0 40 IKAB Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCOc3cccc(C)c3C)CC2=O)c1 16902536 FOUORYHPPZDWAS-JOCHJYFZSA-N 439.559 5.561 0 40 IKAB Clc1ccc(-c2cc(-c3ccc(Cl)cc3)n(-c3cc(Cl)ccc3Cl)n2)cc1 17098725 KSKDCXQFMHDXQE-UHFFFAOYSA-N 434.153 7.820 0 40 IKAB Cc1ccc(-c2nc3ccccc3s2)cc1NC(=O)c1c(F)c(F)c(F)c(F)c1F 17098776 SOOGVUNYWCSQQR-UHFFFAOYSA-N 434.389 6.220 0 40 IKAB Cc1nc(-c2ccccc2)sc1C(=O)N(C[C@H]1CCCO1)c1nc2ccccc2s1 17344582 XOZJEVZFUAUMRR-QGZVFWFLSA-N 435.574 5.554 0 40 IKAB COc1cccc([C@@H](Nc2nc(-c3ccsc3)nc3ccccc23)c2nccn2C)c1 17591201 TXNMUIJHFVAUDY-OAQYLSRUSA-N 427.533 5.302 0 40 IKAB CCc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cc5ccccc5s4)C3)cc2n1 19522387 FNARIJLAABBSQS-CQSZACIVSA-N 444.482 5.155 0 40 IKAB O=C(COc1ccc2ccccc2c1)Nc1ccc(Cl)cc1-c1nc2ccccc2s1 19642573 DUUJUSURVAIOHY-UHFFFAOYSA-N 444.943 6.787 0 40 IKAB FC(F)(F)c1cccc(-c2cn[nH]c2[C@@H]2CCCN(Cc3cccc4c3OCO4)C2)c1 19789451 SOGXDEAEGUWLFJ-MRXNPFEDSA-N 429.442 5.204 0 40 IKAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCSCc1ccc(Cl)c(Cl)c1 20460180 MZZHMDYOEUMBGK-NRFANRHFSA-N 448.415 6.354 0 40 IKAB Cc1cccc(C(C)C)c1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1 20488880 BVPUSKKEMRMJHM-UHFFFAOYSA-N 442.968 5.825 0 40 IKAB CC[C@H](C)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1 20573312 ICTYOAUBCHBCQI-KRWDZBQOSA-N 439.606 5.810 0 40 IKAB CC[C@H](C)N(Cc1nc(-c2ccc(C)cc2)no1)C(=O)[C@@H]1CCCN(c2ccc(C)cc2)C1 22255845 KFTJMFIXOPXCLI-JTHBVZDNSA-N 446.595 5.397 0 40 IKAB O=C(N1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1)C12CC3CC(CC(C3)C1)C2 22596398 UIRCBVPVCCTJHW-UHFFFAOYSA-N 441.925 5.009 0 40 IKAB Cc1ccc(-c2noc(-c3sccc3S(=O)(=O)N(C)c3ccc(Cl)cc3)n2)cc1 23126898 ZTCIYAISWYZCOS-UHFFFAOYSA-N 445.953 5.252 0 40 IKAB O=C(NC1CC1)c1ccc(CSc2nc(-c3cccc(Br)c3)cs2)o1 23136436 XLFOLSORZGUDQG-UHFFFAOYSA-N 435.368 5.350 0 40 IKAB Cc1cccc(-c2nnc(SCCC(=O)Nc3ccccc3F)n2Cc2ccco2)c1 24758659 DGWKYHQAOASMBN-UHFFFAOYSA-N 436.512 5.155 0 40 IKAB Cc1sc(NC(=O)c2ccccc2)c([C@H](Nc2ccccc2)c2ccccc2Cl)c1C 26770900 QQYWRKNLWDONPM-XMMPIXPASA-N 447.003 7.472 0 40 IKAB Cc1occc1C(=O)Nc1nc(CC(=O)Nc2ccc3c(c2)Cc2ccccc2-3)cs1 40129459 OEWKTWWMEKIKJS-UHFFFAOYSA-N 429.501 5.049 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCSCc3ccccc3)c2)cc1 44899762 FVYLNWIPJZBLGC-UHFFFAOYSA-N 446.616 6.498 0 40 IKAB Cc1ccc(NC(=O)c2cn(Cc3ccc(NC(=O)C4CCCCC4)cc3)cn2)c(C)c1 49422006 HQXAWNKSNMCWDN-UHFFFAOYSA-N 430.552 5.319 0 40 IKAB O=C(Nc1ccc(Oc2ccc(Cl)cc2)c(C(F)(F)F)c1)c1cccc2ccccc12 59417224 NOYXTQLLLQUAOO-UHFFFAOYSA-N 441.836 7.557 0 40 IKAB COc1cc2ncnc(Nc3ccc(F)c(Cl)c3)c2cc1OCCCC1CCOCC1 68603376 MDTZFMPAWJBERT-UHFFFAOYSA-N 445.922 5.760 0 40 IKAB biogenic O=C(c1ccc(Br)s1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 69107136 FAGPAJITFISPSW-UHFFFAOYSA-N 438.734 5.019 0 40 IKAB Cc1cc(NC(=O)c2c(-c3c(F)cccc3Cl)noc2C)ccc1Oc1cccnc1 72028813 WVYFTJGFTBHTCT-UHFFFAOYSA-N 437.858 6.191 0 40 IKAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C(=O)OCc2ccccc2)cn1 72214613 YSLFVJFRFFZGSA-FQEVSTJZSA-N 425.529 5.317 0 40 IKAB CC(C)(C)OC(=O)N(c1ccccc1)c1ncccc1[C@H]1CCCN1Cc1ccccc1 72215852 ULMZNUYWPVPWSI-XMMPIXPASA-N 429.564 6.492 0 40 IKAB CC(=O)N1CC[C@H](c2c(C(=O)NCC(C)(C)c3cccc(F)c3)sc3ccccc23)C1 72352616 MDQVEUNVAWGJFA-KRWDZBQOSA-N 438.568 5.084 0 40 IKAB Cc1ccc2[nH]c([C@H]3CCCN(C(=O)CSc4ccncc4)C3)c(-c3ccncc3)c2c1 72396628 GPGLHZRJYYDJEL-FQEVSTJZSA-N 442.588 5.432 0 40 IKAB CC1=C[C@@H](CNC(=O)Nc2ccc(F)cc2)[C@H](C(C)C)C[C@H]1Cc1nc2c(C)cccc2[nH]1 77262164 XJSGQWSKNUFDPM-JTAQYXEDSA-N 448.586 6.229 0 40 IKAB biogenic,in-vitro CC1(C)CC[C@]2(C)CC[C@]3(C)C(=C2C1)CC[C@@H]1[C@@]2(C)CC[C@H](O)C(C)(C)[C@H]2CC[C@]13C 87493082 JOCIRBSYAYKMEF-WWODQVDGSA-N 426.729 8.313 0 40 IKAB biogenic CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)c2cc3nc(-c4ccco4)cc(C(F)(F)F)n3n2)C1 100619388 MBCSHGNNTJIEPV-YEJXKQKISA-N 432.446 5.049 0 40 IKAB COc1ccc(-c2c/c(=N\c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc3o2)cc1 101857417 DDEYQXWHUSNBFG-WEMUOSSPSA-N 437.499 5.139 0 40 IKAB CC(=O)O/C=C(\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 118923196 XMNVJWVQDFNIJF-GEKZWZTCSA-N 430.585 5.223 0 40 IKAB CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)c(Cl)c1)c1ccc(C)cc1 216448582 JOJVDRJSBALKMD-OAQYLSRUSA-N 442.968 5.330 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OCc3ccccc3Cl)c2)c1 219839882 YXNZLASQKLTSPN-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccccc2Cl)[C@@H](C)C(=O)NC(C)(C)C)cc1 222816129 ADPLYNOHRFLMIR-SFHVURJKSA-N 429.004 5.167 0 40 IKAB Cc1ccc(C)c(CC(=O)N(Cc2ccc(Cl)c(Cl)c2)[C@H](C)C(=O)NC(C)(C)C)c1 222976475 AMOUZCDJFXAPLW-QGZVFWFLSA-N 449.422 5.485 0 40 IKAB COC(=O)c1ccc(NC2CCCCCCC2)c(S(=O)(=O)Nc2ccc(C)cc2)c1 223413291 FRRRJDHJXCGILM-UHFFFAOYSA-N 430.570 5.107 0 40 IKAB Cc1ccccc1CN(C(=O)Cc1ccc(Cl)cc1Cl)[C@@H](C)C(=O)NC1CCCC1 223790608 ZUAZPQQKHRVKOA-KRWDZBQOSA-N 447.406 5.320 0 40 IKAB CC[C@@H](NC(=O)c1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl)c1ccccc1 224235356 UFTSIBPZPOHSCH-JOCHJYFZSA-N 442.968 5.046 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccc2ccccc2c1 224639834 NSSZRZXMAJPWKL-UHFFFAOYSA-N 425.528 6.687 0 40 IKAB CC[C@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CSCc1ccccc1Cl 225055267 ULTOCDGUYGKZLY-RBUKOAKNSA-N 447.044 5.214 0 40 IKAB Fc1ccc(COc2ccc(CNC(=S)Nc3cccc(Br)c3)cc2)cc1 225533199 QPENZBXZNVXEAU-UHFFFAOYSA-N 445.357 5.654 0 40 IKAB COC(=O)c1ccc(Cl)c(NC(=S)NCCCSCc2ccccc2Cl)c1 225607339 CCQHWLXWQYZNRS-UHFFFAOYSA-N 443.421 5.390 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2)[C@@H](CC)C(=O)N[C@@H](C)CC)cc1 225635422 DVOZRPBUQBNMPX-CYFREDJKSA-N 443.031 5.557 0 40 IKAB Cc1ccc(CC(C(=O)Nc2ccc(OC(C)C)cc2)(c2ccccc2)c2ccccc2)cc1 225937450 RUPXYKFENPNKAP-UHFFFAOYSA-N 449.594 6.950 0 40 IKAB COc1ccccc1[C@H]1C[C@H]2CC[C@@H]([C@H]1OC(=O)c1ccccc1)N2Cc1ccccc1 245227099 ABUKBCAATVFRLI-MEUOBDGXSA-N 427.544 5.441 0 40 IKAB Cc1ccc2cc(C(=O)N3CCC[C@H](c4ncc(Cc5cccc(Cl)c5)o4)C3)[nH]c2c1 257281376 OOXACZKEXFBNAJ-IBGZPJMESA-N 433.939 5.728 0 40 IKAB COc1cccc(C(=S)NCc2ccccc2C)c1OCc1c(F)cccc1Cl 408577888 VLNJNMSJNVDPRN-UHFFFAOYSA-N 429.944 5.840 0 40 IKAB COc1ccc(-n2nc(C(=O)Nc3ccc4ccccc4c3)nc2-c2ccc(F)cc2)cc1 408696870 FLUBTVFGBVXANQ-UHFFFAOYSA-N 438.462 5.488 0 40 IKAB Cc1cccc(-c2nc(C(=O)Nc3ccc(C)c(Cl)c3)nn2-c2cc(C)ccc2C)c1 408697178 FRLSHUWGNLRDIL-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB Cc1cc(CSc2ccccc2)ccc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 408703816 YGHFMFANIOMKDX-HXUWFJFHSA-N 433.617 6.991 0 40 IKAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc2nc(SCc3nc4ccccc4[nH]3)sc2c1 408985648 OGFYJYFMRBROMI-GASCZTMLSA-N 448.573 5.145 0 40 IKAB Cc1cccc(COc2ccc(/C=C3\SC(=O)N(CCc4ccccc4)C3=O)cc2)c1 409007793 RPQBYFMARIYERI-ULJHMMPZSA-N 429.541 5.853 0 40 IKAB CCCOc1cccc(-c2nn(-c3ccccc3)cc2CNC(=O)c2ccc(C)cc2)c1 606422391 WCJGIWAOTDKNBT-UHFFFAOYSA-N 425.532 5.567 0 40 IKAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1cc(Br)ccc1Cl 1775979053 YRLBJVCYKCJGGK-QGZVFWFLSA-N 436.758 5.294 0 40 IKAB COc1cccc2c1N(C(=O)CCc1ccccc1)C(C)(C)c1ssc(=S)c1-2 973126 KSLOBMWSFSCGAO-UHFFFAOYSA-N 427.616 6.429 0 40 IKAB Cc1cccc(N(C(=O)Cc2cccs2)[C@H](C(=O)NC2CCCC2)c2ccc(C)o2)c1 1333639 PSHVDEKXOKPWIK-DEOSSOPVSA-N 436.577 5.334 0 40 IKAB CC(C)OC(=O)c1cc2c(ccn2-c2ccc(F)cc2)n1Cc1ccccc1C(F)(F)F 1355172 FDCJMECLRPGDRG-UHFFFAOYSA-N 444.428 6.203 0 40 IKAB CC(C)(C)c1ccc(S(=O)(=O)N2C=Cc3ccccc3[C@H]2c2c[nH]c3ccccc23)cc1 1511318 GJPKZVNHYZRYEO-SANMLTNESA-N 442.584 6.230 0 40 IKAB CCCSc1nc2c(c(=O)n1Cc1ccc(C)cc1)C1(CCCCC1)Cc1ccccc1-2 1795875 SFSCZXNECSTMBX-UHFFFAOYSA-N 444.644 6.527 0 40 IKAB biogenic COc1ccc(-c2nnc(SCC(=O)N(C3CCCCC3)C3CCCCC3)o2)cc1 2064088 WLMGIFNHGGMANU-UHFFFAOYSA-N 429.586 5.331 0 40 IKAB COc1ccc(CN(CC[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)C(C)=O)cc1OC 2101382 JZTSCFGXWALULC-QHCPKHFHSA-N 447.531 5.003 0 40 IKAB biogenic Cc1c2occ(-c3ccc(Br)cc3)c2cc2c(-c3ccccc3)cc(=O)oc12 2121275 MVSQKTWQMHBQEK-UHFFFAOYSA-N 431.285 6.944 0 40 IKAB biogenic O=C1S/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1Cc1ccc(F)cc1 2161915 TYKIHIDRVMEVTC-GRSHGNNSSA-N 448.302 6.629 0 40 IKAB CCC(CC)COC(=O)c1c(N)n(-c2ccc(F)c(Cl)c2)c2nc3ccccc3nc12 2263679 XEOSKGFBUFWJOK-UHFFFAOYSA-N 440.906 5.541 0 40 IKAB Cc1cc(C)cc(-n2c(N)c(C(=O)N[C@H](C)c3ccccc3)c3nc4ccccc4nc32)c1 2327076 ZOTNRCJFUNZKGY-GOSISDBHSA-N 435.531 5.264 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(Nc3nc(-c4ccccc4)cs3)sc2Cl)cc1 2644807 NOAVEAWFMCZHSO-UHFFFAOYSA-N 447.994 5.805 0 40 IKAB COc1cc2c(=O)c(C(=O)c3ccc(C)c(C)c3)cn(Cc3ccc(C)cc3)c2cc1OC 2691240 NCYKRZZAWQKNRW-UHFFFAOYSA-N 441.527 5.223 0 40 IKAB CCOc1ccc(-c2csc(NC(=O)COc3cc(C)ccc3C)c2C(=O)OC)cc1 2889790 FAUMDIFTDFYNKK-UHFFFAOYSA-N 439.533 5.235 0 40 IKAB O=C(O[C@@H](C(=O)Nc1ccc(Cl)cc1C(F)(F)F)c1ccccc1)c1ccccc1O 3309993 REPRDXSXKMIWRR-LJQANCHMSA-N 449.812 5.601 0 40 IKAB CCOC(=O)c1c(-c2ccccc2Cl)csc1NC(=O)CNc1cccc(C)c1 3398958 NPAQRAHUQWBADF-UHFFFAOYSA-N 428.941 5.604 0 40 IKAB CCCCOc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C(C)(C)C)C3)c1 6323487 ZYELOBZZFNVDJV-MRXNPFEDSA-N 428.598 5.429 0 40 IKAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(c4ccccc4)c4ccccc4)[C@H]3C2=O)cc1 6601104 SLBBMVAFOFXSKA-DMTYEBIYSA-N 447.534 5.509 0 40 IKAB O=c1c2c3c(sc2nc(SCc2c[nH]c4ccccc24)n1-c1ccccc1)CCCC3 8424413 HVZRMZJRXGXBMA-UHFFFAOYSA-N 443.597 6.100 0 40 IKAB COc1ccc(-c2nc(-c3ccc(Cl)cc3)sc2Sc2ccc(Cl)cc2)cc1 8782176 YBTYGAXQSDGCTQ-UHFFFAOYSA-N 444.408 7.944 0 40 IKAB O=C(Nc1c(C(=O)Nc2ccccc2)oc2ccccc12)c1cc(-c2ccccc2O)n[nH]1 8845186 OPAVFMGHWSXRAH-UHFFFAOYSA-N 438.443 5.033 0 40 IKAB O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1C[S@@](=O)c1ccccc1Cl 8857024 FYBCWGCVYXJOTG-NDEPHWFRSA-N 429.324 6.278 0 40 IKAB CC(C)(C)c1ccc(CN(C(=O)c2ccc(C(C)(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1 8869665 RSYLKIYELFFQKX-QHCPKHFHSA-N 441.637 5.111 0 40 IKAB Cc1ccc(CSc2ncc(Cl)c(C(=O)Nc3nc4ccc(F)cc4s3)n2)cc1 8916298 ITNVQGQXKJQYLS-UHFFFAOYSA-N 444.944 5.732 0 40 IKAB CCOc1ccc([C@H]2N=C(O)c3c(sc4c3CC[C@@H](C(C)(C)CC)C4)N2)cc1OCC 8919950 BAMKEYFCDFMTHU-ZHRRBRCNSA-N 442.625 6.516 0 40 IKAB CCCCC[C@H](C)NC(=O)CN1C(=O)c2ccccc2[C@@H]1c1c(C)n(C)c2ccccc12 9096579 HJSPTTZFEPBIHM-HFJWLAOPSA-N 431.580 5.117 0 40 IKAB Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3c(c2)nc(CCN2CCCCC2)n3C)c1 9242914 OWHDVIBZBONORH-UHFFFAOYSA-N 448.611 5.051 0 40 IKAB CCSc1ncc(Cl)c(C(=O)Nc2ccc(-c3nc4ccc(C)cc4s3)cc2)n1 9431818 ZXLUZRLICQASFX-UHFFFAOYSA-N 440.981 6.079 0 40 IKAB COc1ccc(C)cc1NC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 9544590 SWACCOFGXYFCIN-JOCHJYFZSA-N 429.347 5.780 0 40 IKAB CSCC[C@H](NC(=O)Cc1csc(-c2ccccc2)n1)c1nc2ccccc2s1 9579211 WHKGONDWGCPSDO-SFHVURJKSA-N 439.631 5.573 0 40 IKAB COc1ccccc1NC(=O)N[C@@H](c1ccccc1)c1nnc(-c2ccccc2Cl)o1 9607481 ZCQNQKRQYCWYAF-FQEVSTJZSA-N 434.883 5.310 0 40 IKAB Fc1ccccc1-c1nnc(SCc2nc(-c3cccs3)no2)n1Cc1ccccc1 9876206 UMZRTQKOEADSQP-UHFFFAOYSA-N 449.536 5.536 0 40 IKAB Cc1cc(C(=O)CSc2nnc(Cc3ccccc3)o2)c(C)n1[C@H](C)c1ccccc1 9911613 GIZDRCTVBDXBDX-GOSISDBHSA-N 431.561 5.663 0 40 IKAB O=C(/C=C/c1ccc(OCc2cn3ccccc3n2)cc1)N1CCC[C@@H]1c1cccs1 12506707 BSEBALTVPBZBRN-KCQSEKJDSA-N 429.545 5.352 0 40 IKAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 12534333 YABXEUYGOATLKB-UHFFFAOYSA-N 445.526 5.345 0 40 IKAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cn(Cc3ccccc3)nc2-c2cccs2)c1 12567161 XDWWXHIOTMBUIH-QGZVFWFLSA-N 447.560 5.168 0 40 IKAB O=C(CSc1nnc(COc2ccccc2Cl)o1)Nc1ccc(Cl)c(Cl)c1 12676651 VEUINIZUUWUARV-UHFFFAOYSA-N 444.727 5.340 0 40 IKAB O=C(CCSCc1cn2ccccc2n1)N[C@H](c1ccc(F)cc1)c1cccs1 12735486 YWRJRRGUQWFFQG-JOCHJYFZSA-N 425.554 5.064 0 40 IKAB COc1cc(-n2c(SCc3ccccc3)nc3ccccc3c2=O)c(Cl)cc1Cl 12951341 LCDVCBQGFAVECN-UHFFFAOYSA-N 443.355 5.993 0 40 IKAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc3cc(Cl)ccc3c(=O)n2C(C)C)cc1 13138216 WQOHLAASCKXGJE-CQSZACIVSA-N 430.957 5.393 0 40 IKAB COc1ccc(OC)c([C@H]2NC(=O)NC(c3ccccc3)=C2c2nc3ccccc3s2)c1 13306260 DFNUKLWOIVJRSG-HSZRJFAPSA-N 443.528 5.236 0 40 IKAB CC(C)OCCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(C(C)(C)C)cc1 13776331 ARXVVWFRTPQISB-QHCPKHFHSA-N 433.548 5.451 0 40 IKAB CCc1ccc(-n2nc3cc(C)c(NC(=O)COc4ccc(C(C)(C)C)cc4)cc3n2)cc1 14272700 TTYVGCKWVXPVNP-UHFFFAOYSA-N 442.563 5.606 0 40 IKAB COc1cc2c(cc1NC(=O)COc1ccc3c(C)cc(=O)oc3c1)oc1ccccc12 15081338 JSYLWEYDQNOGSY-UHFFFAOYSA-N 429.428 5.027 0 40 IKAB COc1ccc(OC)c(C(=O)c2oc3cc(NC(=O)c4ccccc4C)ccc3c2C)c1 15729390 ZMXTVFLMLQOCKA-UHFFFAOYSA-N 429.472 5.550 0 40 IKAB biogenic COc1cccc(C(=O)Nc2ccc3oc(C(=O)c4cc(OC)ccc4OC)c(C)c3c2)c1 15729520 DJGUMDSFQGBMNE-UHFFFAOYSA-N 445.471 5.250 0 40 IKAB biogenic CCOc1ccc(-n2cc(-c3ccccc3)c3c(S[C@H](C)CC(C)=O)ncnc32)cc1 16757535 TVRFUZGDAPTMTF-GOSISDBHSA-N 431.561 5.946 0 40 IKAB COCCn1c(SCc2ccc(Cl)c(Cl)c2)nnc1-c1c[nH]c2ccccc12 16942941 RSIDBQKTIHPLJF-UHFFFAOYSA-N 433.364 5.672 0 40 IKAB Cc1ccc(C(C)C)cc1C(=O)C[C@]1(O)C(=O)N(Cc2ccc(Cl)cc2)c2ccccc21 17083451 HOTLVIZLTVVTLN-HHHXNRCGSA-N 447.962 5.779 0 40 IKAB COc1ccc(Br)cc1[C@@H]1NC(=O)c2c(sc3c2CC[C@H](C(C)(C)C)C3)N1 17083545 LRJUYPMKLYBAOY-BBATYDOGSA-N 449.414 5.524 0 40 IKAB O=C(NC(=S)Nc1nc2ccc(Cl)cc2s1)c1cccc2c(Cl)cccc12 17097858 CEDHSTKEFNZCLU-UHFFFAOYSA-N 432.357 5.883 0 40 IKAB CCOc1ccc(C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)cc1OCC 17315466 CBQYTCQMSAYCRO-UHFFFAOYSA-N 430.957 5.233 0 40 IKAB O=C(C1CCCC1)N1CCC[C@@H](c2nc(Nc3cccc(F)c3)cc(-c3cccnc3)n2)C1 19294072 FAKXUMSICCUPPG-HXUWFJFHSA-N 445.542 5.318 0 40 IKAB Fc1cccc(Nc2cc(-c3cccnc3)nc([C@H]3CCCN(Cc4ccncc4)C3)n2)c1 19294086 ZNKGKJFHYMBIOU-NRFANRHFSA-N 440.526 5.196 0 40 IKAB COc1c(Cl)cc(C(=O)Nc2ccc(N3C(=O)c4ccccc4C3=O)cc2)cc1Cl 19633138 CHYKOARBBZVIQQ-UHFFFAOYSA-N 441.270 5.055 0 40 IKAB Cc1nn(C(C)C)c(C)c1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 19713384 ZLYUXQLBMUDZOH-AOYPEHQESA-N 440.607 5.156 0 40 IKAB Cc1nn(-c2ccccc2)c2nc(C3CCN(C(=O)c4cccc5ncccc45)CC3)ccc12 19744713 VATMNLVRBZOSLH-UHFFFAOYSA-N 447.542 5.297 0 40 IKAB COC(=O)c1c(NC(=O)C2=Cc3cc(Cl)ccc3OC=C2)sc2c1CC[C@H](C)C2 19809857 KKSJSDJYTHSLAT-LBPRGKRZSA-N 429.925 5.241 0 40 IKAB COc1ccc(-n2c(C)c(C)c3c2ncn2nc(-c4ccccc4Br)nc32)cc1 21801345 VQQRRFDGLPJOCZ-UHFFFAOYSA-N 448.324 5.123 0 40 IKAB Clc1ccccc1COc1ccc2ccccc2c1CNC1C2CC3CC(C2)CC1C3 22073720 MLMZIDVKJBQWJW-UHFFFAOYSA-N 432.007 6.987 0 40 IKAB CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)cc2)c1)c1ccccc1 22517204 GOOUTXNBNUXJJH-NRFANRHFSA-N 442.968 5.330 0 40 IKAB O=C(Nc1ccc(Cl)cc1-c1nc2ccccc2s1)c1cccc2c(Cl)cccc12 22527829 RMBUERXMDZTERB-UHFFFAOYSA-N 449.362 7.676 0 40 IKAB C[C@@H](Sc1nnc(Nc2ccccc2F)s1)C(=O)Nc1cccc2ncccc12 23210319 HNTAPJYJERWSGX-GFCCVEGCSA-N 425.514 5.088 0 40 IKAB Brc1cccc(-c2noc(CN3CCC[C@@H]3c3nc4ccccc4s3)n2)c1 23968709 MOXDAEAERKMGSV-MRXNPFEDSA-N 441.354 5.446 0 40 IKAB CC1CCN([C@H](CNC(=O)CCc2ncc(-c3ccccc3F)o2)c2cccs2)CC1 27575201 FVOCUZQUCNMMBJ-HXUWFJFHSA-N 441.572 5.064 0 40 IKAB COc1ccc(-c2cc(NC(=O)c3sc4cc(C)ccc4c3Cl)on2)cc1OC 27985553 UFMURKTZSITSNI-UHFFFAOYSA-N 428.897 5.788 0 40 IKAB Cc1cc(C)c2c(c1)c(-c1ccccc1)c(-c1ccccc1)n2C[C@@H](O)Cn1ccnc1C 28296652 AVIVGRSHCXPSTQ-VWLOTQADSA-N 435.571 6.158 0 40 IKAB CCCn1c(SCc2nc3ccccc3c(=O)n2C)nc2ccc(C(F)(F)F)cc21 30006606 OFKDGBFYPACHJO-UHFFFAOYSA-N 432.471 5.004 0 40 IKAB Cc1nn(-c2ccccc2)c(C)c1C(=O)Nc1ccc(N2CCCCC2)c2ccncc12 30013240 ZQFVUPRPRBVLEH-UHFFFAOYSA-N 425.536 5.280 0 40 IKAB O=C(Nc1ccc2oc(-c3ccccc3)nc2c1)c1sc2cc(Cl)ccc2c1Cl 33683943 DOSHQFMSOYZDPV-UHFFFAOYSA-N 439.323 7.269 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(-c4nc5cc(Cl)ccc5o4)c3)o2)cc1C 34720369 LQHAGBBZGKJNRA-UHFFFAOYSA-N 442.902 7.277 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)c1ccc(Cl)c(S(=O)(=O)N2CCCCC2)c1 34894843 YVSQGOGRXYLYQU-UHFFFAOYSA-N 447.771 5.074 0 40 IKAB Cc1cc(C)cc(NC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(Cl)cc2)c1 35327010 XOSLVQFHIPANGE-UHFFFAOYSA-N 442.968 5.099 0 40 IKAB O=C(Nc1cc(Cl)cc(Cl)c1)C1CCN(Cc2ccc(Cl)cc2Cl)CC1 38835026 GBATZIKGQOUOOG-UHFFFAOYSA-N 432.178 6.151 0 40 IKAB O=C([C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1)N1CCC(Cc2ccccc2)CC1 38850876 GMJXPSMYSBYWKP-NRFANRHFSA-N 445.434 5.687 0 40 IKAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(Cl)ccc1NCC(=O)Nc1ccc(F)cc1F 40135347 TZRWOOHDYMWNHF-OKILXGFUSA-N 435.902 5.072 0 40 IKAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCN3C(=O)c2cccc(Cl)c2)c1 46078897 WMMANHILAMBPHH-UHFFFAOYSA-N 432.907 5.388 0 40 IKAB Cc1ccc2c(Nc3ccc(Br)cc3)c(C(=O)N3CCC[C@H](C)C3)cnc2n1 49005376 XVVCIRNZLQBWTD-AWEZNQCLSA-N 439.357 5.316 0 40 IKAB CCOc1cccc(CNc2nc3c(-c4cccc(Cl)c4)nnn3c3ccccc23)c1 67261460 GGQLRQBDQXVBPO-UHFFFAOYSA-N 429.911 5.609 0 40 IKAB Cc1ccc(NC(=O)Cc2csc3nc(-c4ccccc4)cn23)c(OC[C@@H]2CCCO2)c1 70010465 UWRAPZNOIZXQAL-FQEVSTJZSA-N 447.560 5.110 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCCN2C(=O)c2ccccc2)cn1)C1CCC1 72215478 VCRCWYOYGIYDQB-QFIPXVFZSA-N 435.568 5.743 0 40 IKAB CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(Cl)cc1[C@@H](O)c1ccccc1 72230078 PNSFBUWPTJFYNB-NRFANRHFSA-N 430.331 5.871 0 40 IKAB Cc1ccc(OC(=O)c2cc(S(=O)(=O)N(C)c3ccccc3)ccc2Cl)cc1C 89643228 CFBRZYKWLDTPQQ-UHFFFAOYSA-N 429.925 5.001 0 40 IKAB O=C(O)C12C[C@H]3C[C@H](C1)CC(c1ccc(C45C[C@H]6C[C@@H](CC(C(=O)O)(C6)C4)C5)cc1)(C3)C2 100151978 SEBFRJUCYLOQKF-QDKFGKIXSA-N 434.576 5.532 0 40 IKAB COc1ccc([C@H]2CC3=Nc4ccccc4N[C@H](c4cccc(OC)c4)C3=C(O)C2)cc1 102486234 AZJDBVZMSCDYJU-UZTOHYMASA-N 426.516 6.333 0 40 IKAB CC(C)Oc1ccc2ccccc2c1/C=C1\SC(=O)N(Cc2ccc(Cl)cc2)C1=O 106688210 LYUUAMXKYTZXQT-XKZIYDEJSA-N 437.948 6.517 0 40 IKAB Cc1c(/C=C2\SC(=O)N(Cc3ccccc3Br)C2=O)c2ccccc2n1C 106726165 DSBOTPOYDHVXIN-ODLFYWEKSA-N 441.350 5.486 0 40 IKAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1ccc(OCc2ccccc2)c(OC)c1 107716571 AKNRGBLYJBADHO-UHFFFAOYSA-N 442.895 5.604 0 40 IKAB CC(=O)N[C@@H]1C=C2C[C@@H](O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@H]12 118932533 HKIHSDNRYFUGCU-UCFCOILNSA-N 443.716 6.503 0 40 IKAB Cc1ccc(Cn2c(SCC(=O)Nc3cc(C)cc(C)c3)nc3ccsc3c2=O)cc1 206598337 MASNBYXWSFWUFA-UHFFFAOYSA-N 449.601 5.162 0 40 IKAB CC[C@@H](C(=O)Nc1c(C)cc(C)cc1C)N(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O 220695214 JIRJLRNHDDZFSX-SFHVURJKSA-N 443.396 5.102 0 40 IKAB CC[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1)c1ccc(C)cc1 224033995 BUQUBPXFXSVSBQ-QFIPXVFZSA-N 442.968 5.330 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NCc3ccc(C(C)(C)C)cc3)c2)cc1 224095834 JQDREMRVBFCGNV-UHFFFAOYSA-N 436.577 5.023 0 40 IKAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1COc1ccccc1Cl 224133926 IVLSVOFOVFQKOO-UHFFFAOYSA-N 446.728 5.942 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccccc1 224389844 FNZYXDYWTQWXNG-QGZVFWFLSA-N 435.395 5.116 0 40 IKAB CCNC(=O)[C@H](CC)N(Cc1c(Cl)cccc1Cl)C(=O)Cc1cccc(Cl)c1 224515128 NIIPLTNKSFSBLI-IBGZPJMESA-N 441.786 5.133 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(Cc1ccccc1Cl)C(=O)Cc1ccc(C)c(C)c1 224691728 RNEVDAKKMGEAIO-QHCPKHFHSA-N 429.004 5.079 0 40 IKAB Cc1ccc(C(=O)NC[C@@H](C)Cc2cccc3ccccc23)c(I)c1 225030913 WKROLORMAWYXBS-INIZCTEOSA-N 443.328 5.361 0 40 IKAB CC[C@@H](C(=O)NC1CCCCC1)N(Cc1ccccc1C)C(=O)CSc1ccccc1 225035769 RJEUSIOWOMINQH-DEOSSOPVSA-N 438.637 5.343 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)CCc3ccc(Cl)cc3)c2)cc1 225307310 OKVXRAYJRGWBPC-UHFFFAOYSA-N 434.967 6.461 0 40 IKAB CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccc(OC)cc1)C(=O)CCc1ccc(C(C)C)cc1 225411841 OXBIHXRWVBYFFF-NHCUHLMSSA-N 438.612 5.083 0 40 IKAB CC[C@H](C)NC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CSCc1cccc(Cl)c1 225459833 XKXVTVJQVSIILZ-AVRDEDQJSA-N 447.044 5.295 0 40 IKAB CCCCNC(=O)[C@H](Cc1ccccc1)N(Cc1c(Cl)cccc1Cl)C(=O)CC 225634705 ZECVTYLTBLAGTA-NRFANRHFSA-N 435.395 5.260 0 40 IKAB CC(C)CNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCc1ccc(C(C)C)cc1 225673054 GAVQPSRKUHKRPX-HXUWFJFHSA-N 443.031 5.586 0 40 IKAB CC(C)COc1ccc(NC(=O)C2(c3ccccc3)Cc3ccccc3C2)c2ccccc12 225931933 GRJSUICJJFUUOY-UHFFFAOYSA-N 435.567 6.550 0 40 IKAB Cc1ccc(NC(=O)CSc2nc3c(-c4ccccc4)c[nH]c3c(=O)n2C2CC2)cc1C 252510495 ZMBKUFLQEMHYLC-UHFFFAOYSA-N 444.560 5.074 0 40 IKAB Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCCC[C@H]4C)CCOCC3)c2)c1 257218712 DEEYZDQDISGNMV-XMMPIXPASA-N 448.651 5.300 0 40 IKAB Cc1cccc(Cc2ccc([C@H]3CCCN(C(=O)C(C)(C)Oc4cccc(C)c4)C3)nc2)c1 257266145 MBTPFJZSXMXPOQ-VWLOTQADSA-N 442.603 5.853 0 40 IKAB Cc1ccc(SCc2ccc(C(=O)N3CCN(c4cccc(C)c4C)CC3)cc2)cc1 408566419 NXAFFLZMSODOIZ-UHFFFAOYSA-N 430.617 5.867 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NCCC(c2ccccc2)c2ccccc2)CC1=O 408706724 CQMLKFKNVFTHND-QFIPXVFZSA-N 446.978 5.340 0 40 IKAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccc(OCc4ccccc4)c(OC)c3)S2)cc1 408786489 QZRFQDPPRNOUHY-SJJVXOANSA-N 446.572 5.436 0 40 IKAB CCOc1cc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc(Cl)c1O[C@H](C)CC 409073629 WPFZXMAHWFFWQY-HIPSJFSSSA-N 446.906 5.148 0 40 IKAB CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3cccc(C)c3)c(=O)c2c1C 409137145 WMSLEIWGOQRQPT-UHFFFAOYSA-N 434.630 6.617 0 40 IKAB COc1ccc(-c2s/c(=N\C(=O)c3ccccc3C)n(C)c2-c2ccc(OC)cc2)cc1 409193219 FRPKRIPZRSNZGZ-RQZHXJHFSA-N 444.556 5.487 0 40 IKAB CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(C)cc3)c2)cc1 409383766 FWDDTAVTGJFETN-UHFFFAOYSA-N 444.940 5.100 0 40 IKAB CC1(C)[C@@H](C=C(Cl)Cl)[C@H]1C(=O)Nc1c(-c2ccccc2)nc2ccc(Cl)cn12 606422414 XYWGHUBLYXUPOD-YOEHRIQHSA-N 434.754 6.184 0 40 IKAB O=C(O)c1ccc(OC2CCN(C(=O)OCC3c4ccccc4-c4ccccc43)CC2)cc1 687822722 PJCJBLSPYDPFHZ-UHFFFAOYSA-N 443.499 5.177 0 40 IKAB C[C@@H](C/C=C/C(C)(C)O)[C@@H]1CC[C@]2(C)[C@H]3CC[C@@H]4C(C)(C)[C@H](O)CC[C@]45C[C@]35CC[C@@]12C 1077995400 JSPGKOBNHWTKNT-AUJSZXSVSA-N 442.728 7.140 0 40 IKAB biogenic O=C(Nc1ccc(F)cc1F)c1nn2c(c1Cl)N[C@@H](c1ccco1)C[C@H]2C(F)(F)F 866942 FPNJXFNVJLHURZ-YPMHNXCESA-N 446.763 5.320 0 40 IKAB Cc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)C(=S)Nc3ccccc3)cc2c1 875257 JWJLCLMIVHRDJN-UHFFFAOYSA-N 431.536 5.375 0 40 IKAB Cc1ccc(NCc2nnc(S[C@H](C)C(=O)Nc3c(C)cccc3C)n2C)cc1Cl 917284 GOXMJNGIOFCNOQ-MRXNPFEDSA-N 444.004 5.125 0 40 IKAB O=C(CSc1nnc2scc(-c3ccccc3)n12)Nc1cccc(C(F)(F)F)c1 937472 FFAOMOPVKINECV-UHFFFAOYSA-N 434.468 5.207 0 40 IKAB CC(=O)CSc1nc2scc(-c3ccc(Cl)cc3)c2c(=O)n1-c1ccccc1 950097 ZZOLDDJQEVDYBW-UHFFFAOYSA-N 426.950 5.449 0 40 IKAB O=C1O[C@@]2(c3ccc(Br)cc3)[C@H](OC(=O)C23CCCCC3)C12CCCCC2 1075657 IBGURYAQEKKAFD-VGSWGCGISA-N 433.342 5.028 0 40 IKAB Cc1cccc(OCCCCCn2c(-c3ccc(Cl)cc3)nc3ccccc3c2=O)c1C 1834763 QEOOYWKDHZAREE-UHFFFAOYSA-N 446.978 6.583 0 40 IKAB CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)COc1ccccc1C(C)C 1944374 GYIABFIBDQZROA-UHFFFAOYSA-N 441.524 5.872 0 40 IKAB Cc1cc(C)c2oc(-c3ccc(NC(=O)c4ccc(OCc5ccccc5)cc4)cc3)nc2c1 2050868 MANQADQPQUCFOD-UHFFFAOYSA-N 448.522 6.943 0 40 IKAB Nc1ncc(-c2ccc(Cl)cc2)c(-c2ccc(OCc3ccccc3Cl)cc2O)n1 2208128 GNDKZJAHPNUEMT-UHFFFAOYSA-N 438.314 5.984 0 40 IKAB biogenic CCOc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)/C=C/c1ccccc1 2217827 ZTZXZMYQSXTCOY-JLHYYAGUSA-N 439.627 6.900 0 40 IKAB COc1ccc(-n2c(SCC(=O)Nc3ccccc3C)nnc2-c2ccccc2F)cc1 2437845 DLGWGDHNQGWGMT-UHFFFAOYSA-N 448.523 5.121 0 40 IKAB CCOc1ccc(-c2cc(C(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc3n2)cc1 2748723 DQBYBPKLTOICAO-UHFFFAOYSA-N 436.433 6.572 0 40 IKAB CCc1cccc(C)c1NC(=O)[C@@H](c1ccccc1Cl)N(C)C(=O)c1ccccc1F 3147040 PDWJCJOHPZERNH-HSZRJFAPSA-N 438.930 5.802 0 40 IKAB Cc1cccc(-n2c(SCC(=O)c3ccccc3F)nnc2-c2c[nH]c3ccccc23)c1 3277564 WFJOSWGBGMNKAV-UHFFFAOYSA-N 442.519 5.838 0 40 IKAB Cc1ccc(C(c2ccc(C(c3ccc(C)o3)c3ccc(C)o3)cc2)c2ccc(C)o2)o1 3846763 RRVUFAMSZPVECV-UHFFFAOYSA-N 426.512 7.653 0 40 IKAB biogenic Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)NCCC1=CCCCC1 4827743 JRMLCQBAZOJNJB-SANMLTNESA-N 427.548 5.028 0 40 IKAB CC1=CC(C)(C)N(C(=O)c2cccc(F)c2)c2ccc(OC(=O)c3cccc(F)c3)cc21 6461747 FSXJEHLHBLDONX-UHFFFAOYSA-N 433.454 6.026 0 40 IKAB CCOc1cc(CNC23CC4CC(CC(C4)C2)C3)cc(Cl)c1OCc1ccccc1 8254057 BLHGSPFOXGFAAP-UHFFFAOYSA-N 426.000 6.376 0 40 IKAB CCCCN1C[C@H](c2nc3ccccc3n2CCCCOc2cc(C)ccc2C)CC1=O 8587118 GRTRYBYFCXENDA-JOCHJYFZSA-N 433.596 5.628 0 40 IKAB O=C(Cc1csc(-c2ccccc2)n1)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 8717900 WXHTWYKLKYUPQY-UHFFFAOYSA-N 431.586 5.994 0 40 IKAB Clc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)N2NC=NC2=N3)cc1 8892274 HLYDHNXXNZTLMP-XZOQPEGZSA-N 447.325 5.798 0 40 IKAB Cc1ccc2c(c1)NC(=O)c1cc(NS(=O)(=O)c3cc(Cl)ccc3C)ccc1O2 8961331 MLRGOLSMMPCKGF-UHFFFAOYSA-N 428.897 5.116 0 40 IKAB Cc1cccc(-n2c(SCC(=O)Nc3ccccc3C)nc(-c3ccccc3)c2C)c1 9113470 RNDUPBNMQQAOFV-UHFFFAOYSA-N 427.573 6.195 0 40 IKAB C=Cc1ccc(COc2ccc(-c3n[nH]c(C)c3Oc3ccccc3OCC)c(O)c2)cc1 9130638 SGTRMTNIQCXDLS-UHFFFAOYSA-N 442.515 6.504 0 40 IKAB CC(C)c1ccc(-n2nnnc2SCC(=O)Nc2ccccc2Cc2ccccc2)cc1 9170276 CYJUTQNSRKWJHK-UHFFFAOYSA-N 443.576 5.107 0 40 IKAB Cc1ccc(C(=O)Nc2oc3ccc(Cl)cc3c(=O)c2-c2ccc3c(c2)OCO3)cc1 9327713 TVMVXDGZQVSCDZ-UHFFFAOYSA-N 433.847 5.403 0 40 IKAB Cc1ccc(C)c(NC(=O)CSc2nnc(NC(=O)c3ccc4ccccc4c3)s2)c1 9368271 OCGIFLADPUVXRK-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1cccc(Cl)c1)N(Cc1cccnc1)C3=O 9429267 WOKLWTQKFNLNCA-NRFANRHFSA-N 430.891 5.204 0 40 IKAB CC(C)(C)C(=O)Nc1ccc(C(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1 9581524 GRLNPKYEQYIKAZ-UHFFFAOYSA-N 440.503 5.641 0 40 IKAB CC1=C(C(=O)Nc2ccccc2C(F)(F)F)[C@H](c2ccc(Cl)c(Cl)c2)NC(=O)N1 9597176 RUONFKGCORTOFC-INIZCTEOSA-N 444.240 5.279 0 40 IKAB CC(=O)c1ccccc1NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(F)cc1 9632079 MDGFBDTUMYBPSY-UHFFFAOYSA-N 446.507 5.007 0 40 IKAB CCCNc1c(NC(=O)c2c(-c3ccccc3Cl)noc2C)c(=O)oc2ccccc12 9689049 BKFMXJZFOMMKQF-UHFFFAOYSA-N 437.883 5.484 0 40 IKAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)Nc1ccc(Cl)cc1 9933333 KBIWUCRJQQWDMK-DEOSSOPVSA-N 429.907 5.314 0 40 IKAB O=C(CCC(=O)c1cccs1)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 9952725 VGIVCVKUDQXPOW-SFHVURJKSA-N 436.964 5.794 0 40 IKAB COc1ccc(-c2cc(C(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)no2)cc1 11915069 MGESOZMGGIMZNJ-UHFFFAOYSA-N 441.512 6.188 0 40 IKAB CCC12C[C@@H]3C[C@H](C1)CC(P(NC(=O)c1ccccc1)NC(=O)c1ccccc1)(C3)C2 12576014 BCHFGOKJXOIAGS-ADXLDGDMSA-N 434.520 5.907 0 40 IKAB CCOc1ccc2c(c1)C(c1ccc(-c3ccc(OC)cc3)cc1)=NNC(c1ccncc1)=N2 12707513 CKYBLIPECKKMGJ-UHFFFAOYSA-N 448.526 5.590 0 40 IKAB Cc1nc(CSc2ccccc2C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)no1 12883093 IMFZKDWKZFSYJR-UHFFFAOYSA-N 427.835 5.595 0 40 IKAB CN(Cc1cccs1)C(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 13128866 SDUPAELDCYXLJI-UHFFFAOYSA-N 429.567 5.310 0 40 IKAB C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1CCc1ccccc1)c1ccccc1 13684967 DLKUHVTULYYTMU-JOCHJYFZSA-N 448.566 6.215 0 40 IKAB CCOc1ccc([C@H]2Oc3ccc(Cl)cc3[C@H]3CC(c4ccc5c(c4)OCO5)=NN32)cc1 13758319 YFVWOIWAXGDSFA-PXDATVDWSA-N 448.906 5.710 0 40 IKAB COc1ccc(-c2nn(Cn3cc(Cl)cn3)c(-c3ccc(OC)cc3)c2Cl)cc1 13960518 JZBXXSFYYHCUJW-UHFFFAOYSA-N 429.307 5.243 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cccc2ccccc12 14117572 JAWJYVALWSXIKV-UHFFFAOYSA-N 446.576 5.378 0 40 IKAB CCn1c(COc2cc(C)ccc2C)nnc1SCC(=O)Nc1cc(Cl)ccc1C 14117583 SYYQTWYYZXEDPT-UHFFFAOYSA-N 444.988 5.186 0 40 IKAB CCOc1c(Br)cc(Br)cc1CNCCc1ccccc1F 16688078 YWFUUQSFNYTMGR-UHFFFAOYSA-N 431.143 5.082 0 40 IKAB COc1ccc(C(=O)Cn2nc(COc3cc(C)ccc3C(C)C)oc2=S)cc1OC 16768548 ZOOAUZGSGUYFHG-UHFFFAOYSA-N 442.537 5.117 0 40 IKAB Cc1c(Cl)c(C)c(Cl)c(OCC(=O)Nc2ccc(Br)cn2)c1Cl 17102357 YTYWOLKSADSKEV-UHFFFAOYSA-N 438.536 5.439 0 40 IKAB O=C(N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1)C1CCC1 19400669 IJYQIGXWGGCOGZ-WNCULLNHSA-N 447.623 5.273 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2ccc3nn(-c4ccc(C)c(Cl)c4)nc3c2)cc1 19648310 JKPNQECRHPFTJD-MRXNPFEDSA-N 448.954 5.913 0 40 IKAB Cc1ccc(C)c(OCc2nnc(S[C@H](C)c3nc4sc(C)c(C)c4c(=O)[nH]3)o2)c1 22618700 WCMPTTUXJZFFMB-CQSZACIVSA-N 442.566 5.034 0 40 IKAB C[C@H](NC(=O)CSc1nnc(SCc2ccc(Cl)cc2)s1)c1ccccc1 25389756 PRSCPDAHSIKDOF-ZDUSSCGKSA-N 436.027 5.453 0 40 IKAB O=C(CN1C(=O)CSc2ccccc21)Nc1ccc(-c2nc3ccccc3s2)cc1 25733175 FYYZQFDOFGSCIA-UHFFFAOYSA-N 431.542 5.041 0 40 IKAB CCCC(=O)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(OC)cc4)cn13)CCCC2 27028232 ZCIXSDUQWUXFJQ-UHFFFAOYSA-N 446.978 7.056 0 40 IKAB COc1ccccc1[C@@H](CNC(=O)c1sc2ccc(Br)cc2c1C)N(C)C 28405041 BYQRVVXPSZJEMI-QGZVFWFLSA-N 447.398 5.014 0 40 IKAB Fc1cc(CSc2nnc(-c3cccnc3)n2Cc2ccccc2)c2ncccc2c1 31613245 DNWRNKRKGIUBGA-UHFFFAOYSA-N 427.508 5.368 0 40 IKAB COc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4cc(Cl)ccc4C)cc3)n2)cc1 32578695 RLBOIMINYBQPHB-UHFFFAOYSA-N 449.894 5.392 0 40 IKAB Brc1cccc(-c2noc(CSc3ccc(-c4ccccc4)nn3)n2)c1 33262434 YGINACVNVYNRNN-UHFFFAOYSA-N 425.311 5.248 0 40 IKAB O=C(c1cccnc1Cl)N1N=C2/C(=C\c3cccs3)CCC[C@H]2[C@H]1c1cccs1 33725141 FYXLQXOSGHZHJY-LAHNWTNYSA-N 439.993 6.295 0 40 IKAB Cc1ccc(S(=O)(=O)N(Cc2c(Cl)cccc2Cl)c2cc(C)cc(C)c2)cc1 34690276 LVWSGVFQVSOCAY-UHFFFAOYSA-N 434.388 6.314 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2sc3nc(-c4ccc(C)cc4)ccc3c2N)cc1 35682594 RCQOSGGXLGQZMY-UHFFFAOYSA-N 431.517 5.283 0 40 IKAB CC(=O)c1c(Nc2ccccc2)sc(C(=O)c2c(C)n(C)n(-c3ccccc3)c2=O)c1C 36649125 OGJSUCCOBVMTFP-UHFFFAOYSA-N 445.544 5.032 0 40 IKAB C[C@@H]1CCCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)cc2)C1 38854605 PFEMSPRRYRPOBM-HXUWFJFHSA-N 433.596 5.233 0 40 IKAB O=C(NCc1ccccc1-c1ccc(CN2CCCC2=O)cc1)c1ccc2ccccc2c1 40050323 PMZHTRAPYUHYRK-UHFFFAOYSA-N 434.539 5.559 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1nnc(COc2cccc(C)c2C)n1CC 59176394 AXICIQWNVQUFSW-UHFFFAOYSA-N 438.597 5.095 0 40 IKAB O=c1c2ccccc2nc(SCc2cccc(Cl)c2)n1Cc1ccccc1Cl 67258530 CLRCRTVGDWASAY-UHFFFAOYSA-N 427.356 6.044 0 40 IKAB Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(C(=O)c3ccc4nc(C)sc4c3)C2)n1 72374987 GIALTWDGSHXDEX-LJQANCHMSA-N 443.576 5.467 0 40 IKAB CC[C@@H](NC(=O)CSc1ccc(C)cc1)c1noc(-c2cccc(Br)c2)n1 84734899 OVLSPNRINHVQRM-QGZVFWFLSA-N 446.370 5.167 0 40 IKAB CC(C)(C)c1noc(CCCC(=O)Nc2nc(-c3ccccc3)c(-c3ccccc3)o2)n1 89725297 OMMYOQOUMGNGCM-UHFFFAOYSA-N 430.508 5.651 0 40 IKAB CC1(C)CC[C@]23CC[C@@]4(C)[C@H](CC[C@@H]5[C@]4(C)CC[C@H]4C(C)(C)[C@@H](O)CC[C@]54C)[C@@H]2[C@@H]1OC3 100250264 BZNIIOGSANMIET-CPEFZGGASA-N 442.728 7.238 0 40 IKAB biogenic,in-vitro CC1(C)CC[C@]2(C)CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)CC[C@H](O)[C@](C)(CO)[C@H]5CC[C@]43C)[C@H]2C1 101706220 NTWLPZMPTFQYQI-ZZMSNQBQSA-N 442.728 7.141 0 40 IKAB biogenic CCCn1c(C)cc(-c2csc(NC(=O)C34C[C@H]5C[C@@H](CC(Cl)(C5)C3)C4)n2)c1C 102374495 JPDDLUQEPMWMBO-TWVWUCKLSA-N 432.033 6.155 0 40 IKAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cn(Cc2ccccc2)c2ccccc12 111671421 GEDQMULEZJXCQP-JLPGSUDCSA-N 429.589 5.422 0 40 IKAB 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@@]43C)OCN2C1 118915989 GRMUAQMHJKQVFL-XQVDLDROSA-N 427.673 5.629 0 40 IKAB CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CSCc1ccccc1C 223029056 CUUQSHXUJJPSEF-MOPGFXCFSA-N 447.044 5.214 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1C)C(=O)CCc1ccc(C(C)C)cc1 223216479 AEPOUEPZTMPOJM-RUZDIDTESA-N 436.640 5.773 0 40 IKAB CC[C@H](C(=O)NC(C)(C)C)N(Cc1ccc(Cl)cc1)C(=O)COc1cc(C)ccc1C 223393234 URTYVFJLFNTEQZ-OAQYLSRUSA-N 445.003 5.058 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc(-c3ccc(Cl)cc3)o2)N1Cc1cccnc1 223474644 PHHHJGHGBZTPMZ-XZOQPEGZSA-N 446.963 5.563 0 40 IKAB CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccccc3)o2)cc1 223832143 KZANTELMEHQXDR-LOSJGSFVSA-N 441.556 5.917 0 40 IKAB Cc1ccccc1NS(=O)(=O)c1cccc(C(=O)N[C@H](c2ccccc2C)C(C)C)c1 223945760 ZYBPESSKJQPYRL-DEOSSOPVSA-N 436.577 5.231 0 40 IKAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCc1ccccc1Cl 224026077 NUGNRVWGIKEHPY-HSZRJFAPSA-N 445.003 5.005 0 40 IKAB Cc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2Cc2ccco2)cc1C 224263354 PPCVSRDOZNBMOQ-ZEQRLZLVSA-N 428.561 5.318 0 40 IKAB CCOc1ccc(C(=O)Nc2ccc(C(C)C)cc2)cc1CSc1ccc(Cl)cc1 224672172 UBFCVJKJSWEOCF-UHFFFAOYSA-N 440.008 7.407 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cc1COCC(C)C 224738257 NODUGNKTPJEHQR-UHFFFAOYSA-N 429.866 6.182 0 40 IKAB Cc1ccc(CC(=O)N(Cc2ccc(Cl)cc2)[C@H](C)C(=O)NC2CCCCC2)cc1C 224808954 WOAQHSWJURYENG-HXUWFJFHSA-N 441.015 5.366 0 40 IKAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccc(OCc2ccc(F)cc2)cc1 225168636 HYKAYEDSLOXBES-MHZLTWQESA-N 447.550 5.757 0 40 IKAB CC[C@H](C)NC(=O)[C@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)Cc1ccccc1C 225312182 OWHJEZGCBDIOQJ-IRXDYDNUSA-N 435.395 5.176 0 40 IKAB CCc1ccc(CCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H](C)C(=O)NC(C)C)cc1 225610216 KYCQLCSDCDVFBI-KRWDZBQOSA-N 449.422 5.430 0 40 IKAB COc1ccccc1Cn1nc(-c2cc(CC(=O)O)ccc2OC)cc1-c1ccc(F)cc1 257263955 LSEXQWLZQKJQKH-UHFFFAOYSA-N 446.478 5.049 0 40 IKAB Cc1cc(-c2ccc(F)cc2)cc([C@H]2CCCN(C(=O)c3cn4cccc(C)c4n3)C2)n1 257267721 MINLQZJRXTUXRQ-FQEVSTJZSA-N 428.511 5.172 0 40 IKAB O=C1CS[C@@H](c2ccc(OCc3ccccc3Cl)cc2)N1c1ccc(Cl)cc1 408558067 PMYVZHJOMZGNFU-QFIPXVFZSA-N 430.356 6.351 0 40 IKAB Cc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)Nc3cccc(C(F)(F)F)c3)c2)c1 408619694 INSICHPCSVOAFM-UHFFFAOYSA-N 448.466 5.375 0 40 IKAB CCc1nc(S/C(=C\c2c(C)n(Cc3ccccc3F)c3ccccc23)C(=O)O)n[nH]1 408631437 IZWWNTLKBNDUGI-NDENLUEZSA-N 436.512 5.035 0 40 IKAB Cc1c(NC(=O)[C@H]2CC(=O)N(c3cccc(Cl)c3)C2)ccc(Br)c1Cl 408642806 NWNKKYHLXUSCMY-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1cccc(-n2nc(C(=O)Nc3cccc(Cl)c3C)nc2-c2cccc(Cl)c2)c1 408696806 CAPLSEYJFZVTRA-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB Cc1ccc(-c2nc(C(=O)Nc3cccc(Br)c3)nn2-c2ccc(C)cc2)cc1 408699940 XNKLITMGKUDEGQ-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB COc1cc(/C=C2\N=C(c3sc4cc(C)ccc4c3Cl)OC2=O)cc(OC)c1OC 408973030 RLSLKRDNVOJPNW-ZSOIEALJSA-N 443.908 5.233 0 40 IKAB Cc1cc(C)c(NC(=O)CN(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(C)c1 409132303 NUCOZUREMFWHKC-UHFFFAOYSA-N 436.577 5.063 0 40 IKAB CCn1c(SCC(=O)Nc2c(C)cccc2C)nnc1-c1cc2cc(Cl)ccc2o1 409331760 POUBOCCRINVIOD-UHFFFAOYSA-N 440.956 5.712 0 40 IKAB Fc1cccc(COc2ccc(Nc3ccnc4cc(-c5ccccc5)nn34)cc2Cl)c1 643550295 BXSQOHWKYRDVFX-UHFFFAOYSA-N 444.897 6.511 0 40 IKAB COc1ccc(-c2csc(N(Cc3ccco3)C(=O)c3ccc(C(C)(C)C)cc3)n2)cc1 929168 VQEKXQWMUMUSJB-UHFFFAOYSA-N 446.572 6.556 0 40 IKAB C[C@H](Oc1cc(Cl)ccc1Cl)C(=O)Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1 998763 ONYYOXQBBGVBPH-VIFPVBQESA-N 446.208 5.525 0 40 IKAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(Cc3ccc(Cl)cc3Cl)c3ccccc32)cc1 1320467 ZOKSBRJDFGOTCK-XMMPIXPASA-N 440.326 5.309 0 40 IKAB O=C(NC1CCCCC1)[C@H](c1ccccc1)N(C(=O)c1ccco1)c1cccc(Cl)c1 1341553 ORNKNVFQCSXOAX-QHCPKHFHSA-N 436.939 5.770 0 40 IKAB Cc1sc(NC(=O)c2ccncc2)nc1-c1ccc2c(c1)CCN2C(=O)C1CCCCC1 1366547 HERISQWJXSSYAB-UHFFFAOYSA-N 446.576 5.235 0 40 IKAB Cc1nn2c(COc3ccc(NC(=O)c4ccc(Cl)cc4)cc3)nnc2c2ccccc12 1431634 XYDXUANCHZGAIC-UHFFFAOYSA-N 443.894 5.071 0 40 IKAB Cc1ccc(C(=O)COC(=O)c2cc(-c3ccc(C)cc3)nc3c(Cl)cccc23)cc1 2078807 FPSNJBKYDXCMSZ-UHFFFAOYSA-N 429.903 6.212 0 40 IKAB Cc1cc(C)c2nc(-c3cccc(Cl)c3)c(C)c(C(=O)Nc3ccc(C)c(C)c3)c2c1 2079744 BHOSIJBLHZQOTA-UHFFFAOYSA-N 428.963 7.350 0 40 IKAB CCc1ccc(NC(=O)c2cc(-c3ccccc3)nc3ccc(Br)cc23)cc1 2089000 IQCHAZUYZXDYPQ-UHFFFAOYSA-N 431.333 6.479 0 40 IKAB CCCCCCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCc1ccccc1OC 2125566 NRMQJZCEKUDSCN-UHFFFAOYSA-N 442.555 7.170 0 40 IKAB biogenic CCc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(Cl)c2)cc1 2410791 CPQBMXJDXFLWQA-UHFFFAOYSA-N 438.940 5.390 0 40 IKAB CCc1cccc(C)c1NC(=O)CSc1ncnc2c1cnn2-c1ccc(Cl)cc1 2453100 GNHQBKMTOPEPBQ-UHFFFAOYSA-N 437.956 5.071 0 40 IKAB CCCCOc1ccc(C(=O)OCC(=O)N2c3ccccc3Sc3ccccc32)cc1 2655390 LEHIFMAZJFLVLT-UHFFFAOYSA-N 433.529 5.852 0 40 IKAB COc1cccc(Cn2cc3c(-c4ccc(Cl)cc4)nnc-3c3cc(OC)ccc32)c1 2688474 XBZSPWSCGSNDTN-UHFFFAOYSA-N 429.907 5.922 0 40 IKAB COc1ccc(CCNC(=O)c2c(C)c(-c3cccc(Cl)c3)nc3ccccc23)cc1 2769160 ZZRZANTXLLSYKD-UHFFFAOYSA-N 430.935 5.845 0 40 IKAB C[C@H]1CCc2c(sc3ncn4nc([C@H](C)n5nc(C(F)(F)F)cc5C5CC5)nc4c23)C1 2788954 QVNZNBZUAXDXOE-QWRGUYRKSA-N 446.502 5.166 0 40 IKAB Cc1cccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(C(F)(F)F)n2)c1C 2798563 ONMKWPGPDIZUAQ-HNNXBMFYSA-N 431.483 5.899 0 40 IKAB Cc1cc(C)nc(Nn2c(SCc3ccc(C(C)(C)C)cc3)nc3ccccc3c2=O)n1 2971852 GZDMNEOAWINYGD-UHFFFAOYSA-N 445.592 5.268 0 40 IKAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C(c1ccccc1)c1ccccc1 3217067 AVXYUPFVWJGACB-UHFFFAOYSA-N 431.532 5.307 0 40 IKAB O=C(COC(=O)C(c1ccccc1)c1ccccc1)Nc1ccccc1Oc1ccccc1 3217130 YIJQAMQEAZAOFM-UHFFFAOYSA-N 437.495 5.793 0 40 IKAB Cc1ccc2[n+](c1)/C(=C(\O)Nc1ccc(SC(F)F)cc1)C(=S)N2c1ccccc1 3220721 PYQUYJGINDTSHX-UHFFFAOYSA-O 442.536 5.873 0 40 IKAB CCOc1cc(C(=O)OCc2csc(-c3ccccc3)n2)cc(OCC)c1OCC 3250003 QZIVSAMASRWYFV-UHFFFAOYSA-N 427.522 5.363 0 40 IKAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 3278805 VTNJRRFSOMWHFK-UHFFFAOYSA-N 447.926 5.541 0 40 IKAB COC[C@H](C)n1c(COc2ccccc2F)nnc1SCc1nc2ccccc2s1 3373054 QDQJEUWQOPNPMD-AWEZNQCLSA-N 444.557 5.106 0 40 IKAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)Nc1ccc(SC(F)F)cc1 3380684 RRXGCAJJYIMWGC-UHFFFAOYSA-N 432.521 5.190 0 40 IKAB CCOC(=O)[C@H](CC)Sc1nnc(COc2ccc(Cl)c(C)c2)n1-c1ccccc1 6134519 NWKKGQQRQOXIGH-IBGZPJMESA-N 445.972 5.242 0 40 IKAB CC(C)C(=O)Nc1cccc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccc(Cl)cc2)c1 8383287 KOIFSYMWNGJYQB-QHCPKHFHSA-N 435.907 5.716 0 40 IKAB CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCCc3ccccc3)CC2=O)cc1 8752304 GSUHFFLOLSWGFJ-JOCHJYFZSA-N 439.559 5.588 0 40 IKAB CCOc1ccccc1NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 8843211 DKYVACQJUAVPEK-UHFFFAOYSA-N 434.561 5.920 0 40 IKAB Cc1n[nH]c2c1C(c1ccc(N(C)C)cc1)c1c(C)n[nH]c1N2c1ccc(F)c(Cl)c1 8863461 SBHLHDHMDHZEMP-UHFFFAOYSA-N 436.922 5.572 0 40 IKAB CCc1ccc(OCCn2c([C@H]3CC(=O)N(c4ccc(C)cc4)C3)nc3ccccc32)cc1 8871460 VOSBMBFWYXSORQ-QFIPXVFZSA-N 439.559 5.507 0 40 IKAB CCSc1nnc(S[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2Cl)s1 8880902 QXQAMGBGVVRCKZ-SSDOTTSWSA-N 427.926 5.442 0 40 IKAB C[C@H](NC(=O)CSc1nnc(-c2ccccc2F)n1C1CC1)c1ccc2ccccc2c1 8895639 NXJNLXALUWZMSE-INIZCTEOSA-N 446.551 5.542 0 40 IKAB O=c1c2ccccc2n(Cc2ccccc2Cl)c(=O)n1-c1ccc(Cl)c(Cl)c1 10156758 XSEOIVVEZRTXTH-UHFFFAOYSA-N 431.706 5.161 0 40 IKAB COc1ccc(-c2cc([C@@H]3CCCCCN3C(=O)c3nccc4ccccc34)on2)cc1 12154143 IAVNIKKSJIQMSX-QHCPKHFHSA-N 427.504 5.656 0 40 IKAB CCOc1cccc2c1O[C@H](c1ccc(C(=O)OC)cc1)N1N=C(c3cccs3)C[C@@H]21 12196463 AHUSSJIDWJMZJW-WMZHIEFXSA-N 434.517 5.176 0 40 IKAB C[C@H](C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1)c1ccc(-c2ccccc2)c(F)c1 12390384 ZINZFFJYSLIRTO-GHTZIAJQSA-N 428.511 5.045 0 40 IKAB O=C(Nc1cccc(C(F)(F)F)c1)[C@@H](N[C@@H]1CCOc2ccccc21)c1ccccc1 12750518 QYHDDDJIQPLJKA-IRLDBZIGSA-N 426.438 5.499 0 40 IKAB Cn1c(SCC(=O)N(Cc2ccccc2)c2nc3c(s2)CCCC3)nc2ccccc21 13120115 YPERPJFQSOYUCQ-UHFFFAOYSA-N 448.617 5.234 0 40 IKAB COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(C)cc2)cc1O 13576861 BDBFJQDWNODXKG-UHFFFAOYSA-N 427.504 5.303 0 40 IKAB Cc1ccc(N(CCCC(=O)N[C@@H](C)c2ccc(C(C)(C)C)cc2)S(C)(=O)=O)cc1C 13669340 STQPJARWYFYGIK-FQEVSTJZSA-N 444.641 5.025 0 40 IKAB O=C1[C@H]2CCC[C@@H]1[C@@H](c1ccc(Br)cc1)N[C@@H]2c1ccc(Br)cc1 13765312 QVDGXRZENJEJRK-FCGDIQPGSA-N 449.186 5.583 0 40 IKAB CCc1sc(NC(=O)c2cccc(NC(=O)c3ccccc3)c2)nc1-c1ccccc1 14008945 XNXKEYLCUZYBKG-UHFFFAOYSA-N 427.529 5.877 0 40 IKAB C[C@@H]1Cc2ccccc2N1C(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1 14359802 YIZGATDXTZWJIM-GOSISDBHSA-N 425.557 5.814 0 40 IKAB COc1ccccc1N1C(=O)CN(c2cccc(C)c2C)C(=O)[C@H]1/C(C)=C/c1ccccc1 15412596 NQXHWDAJUJXYFG-KLIIMXHUSA-N 440.543 5.164 0 40 IKAB COc1cc(CNCc2ccc3c(c2)OCO3)cc(Cl)c1OCc1ccc(Cl)cc1 16195499 AETPPBBSWACHPU-UHFFFAOYSA-N 446.330 5.600 0 40 IKAB CCCOc1c(Cl)cc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OC 16262421 BELHGBQGHXYRDD-LJQANCHMSA-N 448.350 5.044 0 40 IKAB O=C(C[C@@H](c1ccccc1)N1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1Cl 16477307 FOJZLNSBARGTIK-DEOSSOPVSA-N 439.386 6.130 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nn(CC(=O)c3ccc(OC(F)F)cc3)c(=S)o2)c1 16769052 SNDZLJLWZUINQU-UHFFFAOYSA-N 448.491 5.701 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc2oc(-c3cc(Cl)ccc3Cl)nc2c1 17095268 NLMHAVUDVAPXNX-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3cccc(Cl)c3Cl)o2)n1 17097819 GFEVUVUICWUBRF-PKNBQFBNSA-N 432.332 5.483 0 40 IKAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccccc12 17098323 COZBSCJUCCKOFI-UHFFFAOYSA-N 433.298 6.337 0 40 IKAB CCn1cc(C(=O)N2CCC[C@@H](c3[nH]c4ccc(C)cc4c3-c3cccnc3)C2)c(C)n1 19524454 TZHSUEYQONNNKE-HXUWFJFHSA-N 427.552 5.083 0 40 IKAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccc2nn(-c3ccc(F)cc3)nc2c1 20610438 DCWGBTWGROFQJB-LBPRGKRZSA-N 445.281 5.272 0 40 IKAB COc1ccc(-c2cc3n(n2)[C@H](C(=O)Nc2cccc(Cl)c2Cl)CC(O)=N3)cc1 20723226 XNZQRYONIIVDSV-INIZCTEOSA-N 431.279 5.037 0 40 IKAB COc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(Cc2ccccc2)C12CCCC2 20730762 PSNTTYDAPPPORH-RUZDIDTESA-N 440.543 5.386 0 40 IKAB COc1ccc(-c2nc(CSc3nc4ccccc4n4c(C(C)C)nnc34)c(C)o2)cc1 21658027 FBLYSTMKWOUAQA-UHFFFAOYSA-N 445.548 5.665 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)N3CCC[C@H]3c3cccs3)s2)cc1C 21844533 CYYUMNPWIIENIT-INIZCTEOSA-N 430.624 5.416 0 40 IKAB CN(Cc1ccc(Br)cc1)C(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 22994115 LTBWUPIEAMNHDA-UHFFFAOYSA-N 433.733 5.349 0 40 IKAB Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1C(=O)N(C)Cc1nc2ccccc2s1 24469190 RWLYIDOSDAFDQB-UHFFFAOYSA-N 447.507 6.019 0 40 IKAB CCN(C(=O)Cc1csc(-c2ccc(OC)c(OC)c2)n1)c1nc2ccccc2s1 32722472 NLKBYMFKTIEIQR-UHFFFAOYSA-N 439.562 5.033 0 40 IKAB Cc1oc(-c2cc(Cl)cc(Cl)c2)c(C)c1-c1nn2c(-c3ccco3)nnc2s1 33671729 FYVIYNADHCYNFW-UHFFFAOYSA-N 431.304 6.296 0 40 IKAB COc1ccc(CCN2CCC[C@@H]2CO[C@H](c2ccccc2)c2ccc(Cl)cc2)cc1 33965347 NYJCOVAWVHXMSJ-XNMGPUDCSA-N 435.995 6.162 0 40 IKAB CCc1ccc(N(C(=O)C[C@H](NC(C)=O)c2cccs2)c2nc3ccccc3s2)cc1 40032303 DDWATJCZFZUWMO-FQEVSTJZSA-N 449.601 5.852 0 40 IKAB Cc1cc(S(=O)(=O)N(Cc2ccsc2)Cc2ccccn2)c(Cl)cc1Cl 44446179 XTIPXRVKRZSNCF-UHFFFAOYSA-N 427.378 5.149 0 40 IKAB CCc1ccc(-c2c(C(=O)NCCC(C)C)sc3c2cnc2ccc(Cl)cc23)cc1 45943981 HVXJFMWMEIRPDW-UHFFFAOYSA-N 437.008 7.108 0 40 IKAB O=C(c1ccc(Oc2ccccc2Br)nc1)N1CCCc2cc(F)c(F)cc21 48287520 CDXFGFXOXOTJFI-UHFFFAOYSA-N 445.263 5.508 0 40 IKAB S=C(Nc1ccccc1)Nc1ccc2nc(-c3ccccc3)c(-c3ccccc3)nc2c1 71329239 OTBQOMIZHYTFNJ-UHFFFAOYSA-N 432.552 6.773 0 40 IKAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2C(=O)OCc2ccccc2)cn1)C1CC1 72215318 NUXFRYUTVVJNTE-OAQYLSRUSA-N 437.540 5.459 0 40 IKAB O=C(Cc1ccccc1)N1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 72359454 GNGGOBLFUDONSG-IBGZPJMESA-N 425.454 5.111 0 40 IKAB Brc1cccc(C2(c3nnc(Cc4cccc5ccccc45)o3)CCOCC2)c1 84598503 MTIJATYZGVRAOR-UHFFFAOYSA-N 449.348 5.673 0 40 IKAB CN(c1ccccc1)[C@@H]1c2cccc3cccc(c23)[C@H]1NS(=O)(=O)c1ccc(Cl)cc1 102159972 HWJCIWCLDIZRDL-JWQCQUIFSA-N 448.975 5.704 0 40 IKAB Cc1ccc(-c2ccc(C(=O)Nc3cccc(NC(=O)c4ccccc4Cl)c3)o2)cc1C 108995951 DELBJLMZGQUYFP-UHFFFAOYSA-N 444.918 6.721 0 40 IKAB CCC1(CC)C[C@@H](NS(=O)(=O)Cc2ccc(Cl)cc2Cl)c2ccccc2O1 222784270 ZUFMSTCKRFOCSQ-GOSISDBHSA-N 428.381 5.495 0 40 IKAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(C)cc2Br)o1 222805546 GZHLAIILHRTLAG-UXHICEINSA-N 442.382 5.405 0 40 IKAB Cc1cccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2cccc(Cl)c2)c1 224229322 KYTCQFYPTJSQCG-DNQXCXABSA-N 444.991 6.011 0 40 IKAB Fc1cccc(-n2cccc2[C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(Cl)cc2)c1 224472622 NKRVVZWPVCGFPV-DHIUTWEWSA-N 448.954 5.842 0 40 IKAB CCOc1ccc(C(=O)Nc2cc(C)ccc2C)cc1COc1ccccc1C(C)(C)C 224508913 YEZXTYUNBKNPNU-UHFFFAOYSA-N 431.576 6.831 0 40 IKAB CCOc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1CSc1ccc(Cl)cc1 224680916 JPBNWBUTIKPNNF-MRXNPFEDSA-N 443.971 6.661 0 40 IKAB COc1ccc(-c2cnc(-c3ccccc3C(=O)Nc3ccc(C(F)(F)F)cc3)o2)cc1 224909564 WKESKCRQNWWYTQ-UHFFFAOYSA-N 438.405 6.288 0 40 IKAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2c2ccc(OC(C)C)cc2)c(C)n1C(C)C 225341629 FPBIQIFXFOZBBQ-JWQCQUIFSA-N 448.636 6.045 0 40 IKAB CCC(C(=O)Nc1ccc(OCC(C)C)c2ccccc12)(c1ccccc1)c1ccccc1 225935325 YDARBCRSCVFIAG-UHFFFAOYSA-N 437.583 7.209 0 40 IKAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccc(Cc2cccc(C(F)(F)F)c2)cn1 257305669 SQZGMTYMNAKXML-QHCPKHFHSA-N 442.456 5.737 0 40 IKAB COc1cccc(-c2cc(C(=O)N3CCC[C@@H]3c3ncc(Cc4cccc(F)c4)o3)on2)c1 257325684 WTZWNACYJFTGQE-JOCHJYFZSA-N 447.466 5.045 0 40 IKAB CC(C)n1c(CN2CCC(c3ccc(Cc4ccc(F)cc4)cn3)CC2)nc2ccccc21 257335443 YKEJOUVUIYJLON-UHFFFAOYSA-N 442.582 6.122 0 40 IKAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3Cl)o2)S1 260755982 CQDVXTDWHGFQRT-OITMNORJSA-N 430.360 6.238 0 40 IKAB CCOc1cc(CNc2ccccc2)ccc1OCC(=O)Nc1ccc(Cl)c(Cl)c1 408557467 OBZJTIHKNRGNFQ-UHFFFAOYSA-N 445.346 6.022 0 40 IKAB CCCc1s/c(=N\C(=O)c2ccc(OC)c(OC)c2)n(CC)c1-c1ccc(Cl)cc1 408562733 RUZGHIZIOWMQJA-BZZOAKBMSA-N 444.984 5.601 0 40 IKAB Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cccc(OC(C)C)c3)ccc2C)cc1 408602227 CTPRMLLFKJRDJK-UHFFFAOYSA-N 438.549 5.144 0 40 IKAB Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1C(=O)NC(C)C 408613149 ZZLFMBSPPVXHBG-UHFFFAOYSA-N 440.590 5.085 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)c4ccc(Br)cc4C3=O)cc2)c1 408667649 BZJACHWLKGPNDY-UHFFFAOYSA-N 449.304 5.119 0 40 IKAB Cc1ccc(C)n1N(Cc1ccc(Cl)c(Cl)c1)C(=O)c1ccc(Cl)cc1Cl 408689711 YXAVOGIZZWAUTO-UHFFFAOYSA-N 442.173 6.697 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3ccccc3F)nc2-c2cccc(Cl)c2)cc1Cl 408697240 GKTCKFRJCNTYCS-UHFFFAOYSA-N 441.293 5.941 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc4ccccc34)nc2-c2cccc(Cl)c2)cc1 408697747 JBKJPVYCRYBSDS-UHFFFAOYSA-N 438.918 6.302 0 40 IKAB Clc1ccc(C2=C[C@H](c3ccc(OCc4ccccc4)cc3)N3NC=NC3=N2)cc1Cl 409058652 UOMNFVXHYGIZJS-HSZRJFAPSA-N 449.341 5.873 0 40 IKAB CCOc1c(Cl)cc(C[C@H]2SC(=O)N(c3ccc(Cl)cc3)C2=O)cc1Cl 409144570 KSJNEKRFLCABCH-OAHLLOKOSA-N 430.740 5.857 0 40 IKAB CCCOc1ccc2c(c1)[C@H]1O[C@@H](COc3ccc(F)cc3)[C@@H](C(=O)O)C[C@@H]1C(C)(C)O2 585265162 XIYLXXDYFGOTFF-BAMDZGJYSA-N 444.499 5.012 0 40 IKAB O=C(O)c1ccc(-c2ccccc2OCc2ccccc2)nc1COc1cccc(Cl)c1 585265729 QEJMVWWHVIBHRC-UHFFFAOYSA-N 445.902 6.258 0 40 IKAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(=O)Nc1cc(F)c(F)cc1F)CC2 591520574 UDOKVEOMSAGPMW-QHCPKHFHSA-N 442.437 5.301 0 40 IKAB CC(C)c1nccn1CCC(=O)N1CCCCCOc2ccccc2Oc2ncccc2C1 643562756 OXLDOLDIDTZVHA-UHFFFAOYSA-N 448.567 5.175 0 40 IKAB Cc1cc(NC(=O)Nc2ccc(Cl)cc2)n(-c2ccc(OC(F)(F)Cl)cc2)n1 719002 BMHOIEJZVKHXQA-UHFFFAOYSA-N 427.238 5.646 0 40 IKAB CN(C(=O)c1nn2c(C(F)(F)F)cc(-c3ccccc3)nc2c1Cl)C1CCCCC1 826535 SWECJCAKZIDPRY-UHFFFAOYSA-N 436.865 5.473 0 40 IKAB O=C(c1cc2cc(Br)ccc2oc1=O)N(Cc1ccccc1)Cc1ccccc1 868233 ZAHZKJYBHUONEJ-UHFFFAOYSA-N 448.316 5.398 0 40 IKAB O=C(Nc1cccc(NC(=O)c2cccc3c(Br)cccc23)c1)c1ccco1 884859 XNBZOWOFGKVXQU-UHFFFAOYSA-N 435.277 5.700 0 40 IKAB O=C(c1ccccc1Cl)N1N=C(c2ccc(Br)cc2)C[C@H]1c1ccco1 1240313 NQOFAJOEIOWIAU-SFHVURJKSA-N 429.701 5.687 0 40 IKAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccc(Cl)c(Cl)c3)c3ccccc32)cc1 1320614 HNEHHBXWWZVGQZ-DEOSSOPVSA-N 440.326 5.309 0 40 IKAB Cc1cc(C)cc(NC(=O)c2ccc(Cl)c(NC(=O)c3ccc(C(C)(C)C)cc3)c2)c1 2069745 IWYZIDFIPXUFDJ-UHFFFAOYSA-N 434.967 6.759 0 40 IKAB Cc1sc2ncnc(Sc3ccccc3C(=O)Nc3nc4ccccc4s3)c2c1C 2648935 DMKGPPFLAHGVET-UHFFFAOYSA-N 448.598 6.321 0 40 IKAB O=C(/C=C/c1cccc2ccccc12)Nc1ncc(Cc2cccc(Cl)c2Cl)s1 2669441 WNSZHQOCIVTBLM-VAWYXSNFSA-N 439.367 6.846 0 40 IKAB COc1ccc(CCNc2nc(-c3ccccc3)nc3sc(-c4ccccc4)cc23)cc1 2679495 KLKWQRWAOLQMEM-UHFFFAOYSA-N 437.568 6.689 0 40 IKAB O=C(CCc1ccccc1)NCCSc1c(-c2ccc(Cl)cc2)[nH]c2ccccc12 2721228 GGSOZGIWWGUDKA-UHFFFAOYSA-N 434.992 6.329 0 40 IKAB CCCCCC(=O)Nc1ccc(C(=O)Nc2ccc(C(=O)Nc3ccccc3C)cc2)cc1 3145772 RYQUZIKEQLQGCR-UHFFFAOYSA-N 443.547 6.018 0 40 IKAB biogenic Cc1cccc(Nc2ccccc2C(=O)OCC(=O)Nc2ccc(Cl)cc2Cl)c1C 3316084 PEGOSLIXCYKCPO-UHFFFAOYSA-N 443.330 6.149 0 40 IKAB COc1ccc([C@@H](CNC(=S)c2ccc(NC(C)=O)cc2)c2c[nH]c3ccccc23)cc1 3348907 PJKOEARYDFJYRM-HSZRJFAPSA-N 443.572 5.232 0 40 IKAB COc1ccc(NC(=O)NC[C@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]32)cc1 4043709 SZCUAQITTPFEBX-RZDMPUFOSA-N 434.624 6.651 0 40 IKAB biogenic C[C@@H]1CC[C@@H]2[C@](C)(CC[C@@H]3OC(C)(C)OC[C@]32C)[C@@]12CC[C@@]1(CCOC(C)(C)OC1)O2 4073268 JPCPUGHXRFGTIL-MYTJLNBSSA-N 436.633 5.451 0 40 IKAB biogenic Nc1nc(Oc2ccc(Br)cc2)cc(Oc2ccc(Br)cc2)n1 4106467 HINMIVANRACLNR-UHFFFAOYSA-N 437.091 5.168 0 40 IKAB CCOC(=O)N1CCN(CCCCCCOc2c(Cl)cc(Cl)cc2Cl)CC1 4429342 HYDXSOBKJZVXML-UHFFFAOYSA-N 437.795 5.360 0 40 IKAB CCC(C)(C)SCC(=O)OC[C@@]1(C)CCC[C@]2(C)[C@@H]1CC=C1C=C(C(C)C)CC[C@@H]12 4804319 OGDFLFXEEQMLTP-VBWPBTNGSA-N 432.714 7.587 0 40 IKAB O=[S@@]1c2ccccc2N=C(c2cccc3ccccc23)C[C@H]1c1cccc2ccccc12 5722292 XEQHCUIOXUKJOJ-NYDCQLBNSA-N 431.560 7.366 0 40 IKAB Cc1ccc2cc(CN(C(=S)NCCc3ccccc3)C3CCCCC3)c(=O)[nH]c2c1C 6410147 SRLUVAZWZWALHG-UHFFFAOYSA-N 447.648 5.397 0 40 IKAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)cc1 8273719 HDEGIWOCRZFQQB-UHFFFAOYSA-N 425.532 5.459 0 40 IKAB C[C@H](Nc1cccc(-c2nc3ccccc3s2)c1)C(=O)Nc1ccc2c(c1)OCCO2 8826304 MRDIZTNNEUVFEJ-HNNXBMFYSA-N 431.517 5.174 0 40 IKAB CC(C)c1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3CC(c4ccccc4)=NN32)cc1 8836947 YPGOBGGEMLQKLB-UKILVPOCSA-N 447.376 6.815 0 40 IKAB CC(C)(C)[C@@H]1CCc2c(sc3ncn4nc(COc5cccc6ccccc56)nc4c23)C1 9011772 QHNLVOFNAKBYJD-QGZVFWFLSA-N 442.588 6.222 0 40 IKAB CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2cccc(-c3nc4ccccc4[nH]3)c2)cc1 9063975 MUAGJNZJYUVOFI-NTCAYCPXSA-N 440.572 5.880 0 40 IKAB CCOC(=O)c1sc(NC(=O)c2sc3cc(Cl)cc(Cl)c3c2Cl)nc1C 9066918 QLUAEIDQTFHESZ-UHFFFAOYSA-N 449.768 6.055 0 40 IKAB CC(C)CN1C(=O)C(C)(C)COc2cc(NS(=O)(=O)c3ccc(C(C)C)cc3)ccc21 9168334 WZGBTSZPGOATHK-UHFFFAOYSA-N 444.597 5.018 0 40 IKAB COc1ccccc1NC(=O)c1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cc1 9245691 HCZYAIHQIWKXQR-UHFFFAOYSA-N 432.545 5.167 0 40 IKAB CCOc1ccc(C(=O)CSc2nc(C)cc(C)c2C(=O)Nc2ccccc2C)cc1 9250090 BVSZJMNMJINUFR-UHFFFAOYSA-N 434.561 5.633 0 40 IKAB COc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nccs1)[C@H]3c1ccc(C(C)(C)C)cc1 9253522 AQFRYHVALHOLFK-FQEVSTJZSA-N 446.528 5.305 0 40 IKAB O=C(c1cccc2ccccc12)n1nc(-c2cccnc2)nc1NCc1ccc(Cl)cc1 9288817 SFFWAQGLBXVCSY-UHFFFAOYSA-N 439.906 5.447 0 40 IKAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(C)c(C)cc(C)c3C)CC2=O)cc1 9292945 PVVLJVYVIHZEQJ-QHCPKHFHSA-N 437.587 6.147 0 40 IKAB CCn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1-c1ccc(C(C)(C)C)cc1 9308002 SKRQGBYQGOAREY-UHFFFAOYSA-N 428.989 5.647 0 40 IKAB CC(C)CCSc1nnc2c3c4c(sc3nc(SC(C)C)n12)COC(C)(C)C4 9345792 IJYJDKYKRSPTHZ-UHFFFAOYSA-N 436.672 5.829 0 40 IKAB CCOc1cc(C(=O)Nc2c(C(=O)OC)sc3ccccc23)cc(OCC)c1OCC 9404847 ANVUBEFMZSIWLN-UHFFFAOYSA-N 443.521 5.136 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)OCc3nnc(-c4ccccc4)o3)c2n1 9635141 IGAZTJOKNLXIFN-UHFFFAOYSA-N 444.274 5.022 0 40 IKAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(Cc3ccccc3C)c3ccc(Cl)cc32)cc1 10059094 KDNQDRMAYQSDGR-SANMLTNESA-N 433.935 5.218 0 40 IKAB Cc1cc(C)c2nc(N(Cc3cccnc3)C(=O)Cc3ccc(C(C)C)cc3)sc2c1 10096973 MHZDVJCHKYYLMM-UHFFFAOYSA-N 429.589 6.207 0 40 IKAB COc1ccc(-c2nc(CSc3ncc(-c4ccc(F)cc4)o3)cs2)cc1OC 10840542 QPFJQTJIJSAENK-UHFFFAOYSA-N 428.510 5.914 0 40 IKAB CC(=O)Nc1cccc([C@H](C)N(Cc2ccccc2)C(=O)c2cnc(Cl)c(Cl)c2)c1 11088969 CRIHSCDVXIYUAO-HNNXBMFYSA-N 442.346 5.750 0 40 IKAB CN(Cc1ccccc1)c1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(Cl)cc1 12419489 ZCPOLRJHZNVOFG-UHFFFAOYSA-N 428.897 5.057 0 40 IKAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)c1cc(C)n(Cc2cccs2)c1C 12790470 OVXDTYGDXYTSQO-UHFFFAOYSA-N 444.000 5.277 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)Nc1ccc(C)cc1 13109414 LOKIQSBYRQELKJ-SIBVEZHUSA-N 442.559 5.887 0 40 IKAB O=S(=O)(N[C@@H]1Cc2ccccc2[C@H]1Sc1nc2ccccc2s1)c1ccccc1 13133817 VOKYGOZSFFERIH-TZIWHRDSSA-N 438.599 5.033 0 40 IKAB Cc1ccc(Nc2nnc(SCC(=O)NC34CC5CC(CC(C5)C3)C4)s2)cc1C 14358756 SEJMVYIJIKWUAZ-UHFFFAOYSA-N 428.627 5.076 0 40 IKAB O=c1c2c(-c3ccc(F)cc3)csc2ncn1Cc1nc(-c2cccc(Cl)c2)no1 14677206 PRGDYHJNOQWXBJ-UHFFFAOYSA-N 438.871 5.016 0 40 IKAB Cc1ccc(F)cc1NC(=O)c1ccccc1Sc1ncnc2sc3c(c12)CCC3 15077955 RBYHCSGOAKLZTM-UHFFFAOYSA-N 435.549 6.031 0 40 IKAB CCc1ccc(OCC(=O)Nc2nc(-c3ccc(OC)c(Br)c3)cs2)cc1 15322898 YLVXPZXOYNYZBT-UHFFFAOYSA-N 447.354 5.161 0 40 IKAB Cc1cc(NC(=O)Cc2csc(NC(=O)Nc3ccccc3)n2)ccc1Br 15880596 GCKUUPZKDVZQMB-UHFFFAOYSA-N 445.342 5.039 0 40 IKAB CCN(CC)C(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1 16001400 DJCBDKHEPJRRFL-UHFFFAOYSA-N 438.531 5.274 0 40 IKAB CCCCOc1ccc(C(=O)N[C@H](c2ccc(Cl)cc2)c2nccn2C)cc1OCC 16262195 ISPNURWRHOHFRQ-JOCHJYFZSA-N 441.959 5.171 0 40 IKAB O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)O)c1cc(Cl)ccc1Cl 16384802 XQVPUAQQDLHNSH-UHFFFAOYSA-N 438.119 5.125 0 40 IKAB CCOc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1OCc1ccccc1 16688636 VBPDRPZXDJFDEI-UHFFFAOYSA-N 425.912 5.306 0 40 IKAB COc1c(C)cccc1C(=O)Nc1ccc(-c2nc3cc(Cl)cc(Cl)c3o2)cc1 17095277 IPEIELVAXWJVDO-UHFFFAOYSA-N 427.287 6.371 0 40 IKAB CC[C@@H](C)c1ccc(OCC(=O)Nc2cccc3c2C(=O)N(c2ccccc2)C3=O)cc1 17095824 PNVVMRZQVYZVRT-QGZVFWFLSA-N 428.488 5.018 0 40 IKAB CCOC(=O)c1ccc(NC(=O)/C=C/c2ccc(-c3cc(Cl)cc(Cl)c3)o2)cc1 17096759 IKIDIVGFRXJSMR-CSKARUKUSA-N 430.287 6.082 0 40 IKAB COc1ccc(OCC(=O)Nc2ccc(NC(=O)c3cc4ccccc4o3)c(C)c2)cc1 17096842 JTQZXJFTCCWRMS-UHFFFAOYSA-N 430.460 5.020 0 40 IKAB O=C(CSc1nc(-c2ccc(Br)cc2)n[nH]1)Nc1ccc2ccccc2c1 19927787 BIZXINCPLBDFEZ-UHFFFAOYSA-N 439.338 5.118 0 40 IKAB COc1ccc(C)cc1-c1csc(NC(=O)c2ccccc2SC[C@@H]2CCCO2)n1 24222811 ZGQBWUCPVAXTSE-INIZCTEOSA-N 440.590 5.651 0 40 IKAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1-c1ncc(-c2ccccc2)o1 24395973 OSEGLUWIQAMSML-UHFFFAOYSA-N 448.526 5.526 0 40 IKAB FC(F)(F)c1cccc(-c2noc(CN3CCC[C@@H](c4nc5ccccc5o4)C3)n2)c1 24668132 ZXSUYZHXFHPNGC-OAHLLOKOSA-N 428.414 5.276 0 40 IKAB Cc1cccc(C(=O)N(C[C@H]2CCCO2)c2nc(-c3ccc(Cl)cc3Cl)cs2)n1 24735166 HDZGGHYGTDWZPE-OAHLLOKOSA-N 448.375 5.646 0 40 IKAB Cc1cc2oc(C(=O)NC[C@@H](c3ccc(C(C)(C)C)cc3)N(C)C)cc(=O)c2cc1Cl 28289747 RZTYPKYFQICHFG-FQEVSTJZSA-N 440.971 5.085 0 40 IKAB Cc1cc(C)c(NC(=O)c2cn3c4c(cc(Br)cc4c2=O)C[C@H]3C)c(C)c1 33089240 POROARZTJUIXMX-CQSZACIVSA-N 425.326 5.059 0 40 IKAB CCOc1cc(C(=S)N2CCCC2)cc(Br)c1OCc1ccc(F)cc1 33717778 LINAVZKTBUJCBM-UHFFFAOYSA-N 438.362 5.337 0 40 IKAB COc1ccc(Cn2cnc3c4cc(C)ccc4n(Cc4ccccc4Cl)c3c2=O)cc1 35400613 SIEFIRLYTPMSNL-UHFFFAOYSA-N 443.934 5.418 0 40 IKAB Cc1ccc2nc(-c3ccc(NC(=O)[C@@H]4CC(c5ccc(F)cc5)=NO4)cc3)sc2c1 36611876 OXUCCEUBUZOZPA-NRFANRHFSA-N 431.492 5.543 0 40 IKAB Cc1ccc(C2=C(O)C(=O)N(Cc3ccncc3)[C@H]2c2ccc(Br)cc2)cc1 40485934 JEUNNJPVDKFEAC-NRFANRHFSA-N 435.321 5.205 0 40 IKAB CC(C)(Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccc(-c2nc3ncccc3o2)cc1 57333748 QWQYSDQTLNAZKZ-UHFFFAOYSA-N 443.547 5.661 0 40 IKAB Cc1nn(C(C)(C)C)c2nc(C(C)C)cc(C(=O)N3CCCc4cc(F)cc(F)c43)c12 58381767 WLGLQBTVDSRCLD-UHFFFAOYSA-N 426.511 5.489 0 40 IKAB O=C(c1ccc(Cl)c(Cl)c1)C1CCN(C(=O)CNc2ccccc2Cl)CC1 63655929 UCGTVCWHVZFBNN-UHFFFAOYSA-N 425.743 5.180 0 40 IKAB O=c1c2sccc2nc(SCc2ccccc2)n1-c1ccc(Br)cc1 71327538 NIHHQMIFCUOLJO-UHFFFAOYSA-N 429.364 5.502 0 40 IKAB COC(=O)c1ccc2c(O)nc(/C(Cl)=C/c3ccc(-c4ccccc4F)s3)nc2c1 71850536 BIOXQQFTAWDQBB-WJDWOHSUSA-N 440.883 5.727 0 40 IKAB O=c1c2c(ncn1Cc1ccccc1Cl)c1cc(F)ccc1n2CCc1ccccc1 72328612 FXKOFLIODLBVIS-UHFFFAOYSA-N 431.898 5.435 0 40 IKAB Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCCN(Cc4ccccn4)C3)n2)c1 72391339 GWPUSDSGGLNEKR-FQEVSTJZSA-N 440.526 5.196 0 40 IKAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)CC1=O 103718964 RNTXBPHCRXGCKW-NSHDSACASA-N 431.241 5.312 0 40 IKAB Cc1ccc([C@H](C)NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1C 219285750 XBOCRPRFZGOWML-KRWDZBQOSA-N 442.968 5.249 0 40 IKAB CCOc1ccc(-n2cccc2[C@H]2[C@@H](c3ccccn3)NC(=S)N2Cc2ccco2)cc1 223357874 LOWMNKVKUAWSMO-RPWUZVMVSA-N 444.560 5.037 0 40 IKAB CC(C)c1ccc(OCC(=O)N(Cc2cccc(Cl)c2)[C@@H](C)C(=O)NC(C)(C)C)cc1 224042762 KROOSMIMBBNOJD-SFHVURJKSA-N 445.003 5.174 0 40 IKAB CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CSCc1ccccc1C 224114101 ZQIBKTRTSNDFGP-XMMPIXPASA-N 438.637 5.094 0 40 IKAB Cc1cccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)c1 224247589 WSTUOCQLXXCKMU-BJKOFHAPSA-N 445.975 6.481 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1cccc(C)c1)C(=O)Cc1ccc(Cl)c(Cl)c1 224629793 XGFJGVSBVNCMJW-JOCHJYFZSA-N 449.422 5.424 0 40 IKAB CCOC(=O)c1ccc(NC(=O)c2ccc(OCC)c(CSc3ccc(C)cc3)c2)cc1 224664895 CTJKAPJSWBKFGE-UHFFFAOYSA-N 449.572 6.115 0 40 IKAB Cc1ccccc1CN(C(=O)CCc1ccc(C(C)C)cc1)[C@@H](C)C(=O)NC1CCCCC1 224699202 KJJIOAXKVJHSBK-QHCPKHFHSA-N 448.651 5.917 0 40 IKAB CC[C@H](C(=O)NCC(C)C)N(Cc1ccc(Cl)cc1)C(=O)Cc1cc(C)ccc1C 224732425 WPBHABJWCIGSCQ-HSZRJFAPSA-N 429.004 5.079 0 40 IKAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCc1cccc2ccccc12 225197830 DGYXGGOVGUFULD-FQEVSTJZSA-N 434.555 5.245 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccccc1Cl 225378534 DFXHYEHZPZTWGF-XMMPIXPASA-N 441.015 5.181 0 40 IKAB CCCCOc1ccc(NC(=O)C2(c3ccccc3Cl)CCCCC2)cc1C(=O)OC 225765354 QOMQJIRWLLVTDX-UHFFFAOYSA-N 443.971 6.146 0 40 IKAB FC(F)(F)c1cc(Oc2ccccc2)nc(NC(=S)NCCCc2ccccc2)n1 225966806 KJMNRPSTJYJCFY-UHFFFAOYSA-N 432.471 5.207 0 40 IKAB CN(C(=O)C(F)(F)F)c1ccc2nc(-c3cccc4c(Br)cccc34)oc2c1 226269817 CSNLLTGBSRWCJD-UHFFFAOYSA-N 449.226 5.936 0 40 IKAB Cc1ccc(C(=O)NC[C@H]2CC[C@H](c3nc(C(C)C)ncc3-c3ccncc3)CC2)cn1 257222584 DTWSWUQLVQZJST-XUTJKUGGSA-N 429.568 5.069 0 40 IKAB Cc1c(C)n(CCC(=O)N2CCCCC[C@@H]3N[C@@H](Cc4ccccc4)C[C@H]32)c2ccccc12 257337613 YTOJCDBCVNEOPH-GYGTVUFYSA-N 443.635 5.393 0 40 IKAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cc(C(C)(C)C)c(O)c(C(C)(C)C)c3)N21 260772310 NHRWOYZUSOUURW-YHYVQYDKSA-N 437.653 6.362 0 40 IKAB Cc1cc(NC(=O)[C@H]2CC(=O)N(c3cc(Cl)ccc3Cl)C2)ccc1Br 408642186 MCJCTGWZSKOERE-NSHDSACASA-N 442.140 5.056 0 40 IKAB Cc1ccc(C)c(-n2nc(C(=O)Nc3ccc(C)c(C)c3)nc2-c2ccc(Cl)cc2)c1 408695309 PTJPLMRJXSFPEP-UHFFFAOYSA-N 430.939 6.074 0 40 IKAB O=C(Nc1cccc2ccccc12)c1ccc([C@@H]2SCC(=O)N2Cc2ccccc2)cc1 408768882 KURGVGJQBJGPKS-MHZLTWQESA-N 438.552 5.866 0 40 IKAB O=C(Nc1cccc(Br)c1)c1sc2cc(Cl)cc(Cl)c2c1Cl 408973512 SWVXDDDYSABFHL-UHFFFAOYSA-N 435.557 6.876 0 40 IKAB COc1ccc(Cl)cc1C1=N/C(=C\c2ccc(OCc3ccc(C)cc3)cc2)C(=O)O1 409003102 DIPPLZLSXJDIDN-XKZIYDEJSA-N 433.891 5.581 0 40 IKAB Cc1ccc(C(C)C)c(OCc2nnc(SCC(=O)Nc3cccc(C)c3C)n2C)c1 409160558 RIUAPRKCWYEXQF-UHFFFAOYSA-N 438.597 5.174 0 40 IKAB CCCCNC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(CC)cc1 409214636 YUVDQKLAQDKBJD-UHFFFAOYSA-N 428.989 5.159 0 40 IKAB CCCN1C(=O)S/C(=C/c2cc(Cl)c(OCc3ccc(C)cc3)c(OC)c2)C1=O 409233124 QOJSJWNWSVHXLX-XDHOZWIPSA-N 431.941 5.682 0 40 IKAB C[C@@H]1CC(C)(C)N(C)c2cc3oc(=O)c(C(=O)c4ccc(-c5ccccc5)cc4)cc3cc21 584906203 LNKDBUWCFZOZLD-GOSISDBHSA-N 437.539 6.413 0 40 IKAB CCc1ccc(C[C@@]2(C)Cc3cc(C(=O)N(CCC(=O)O)CCC(C)C)ccc3O2)cc1 585266621 FQGMNPWDEOXEER-MHZLTWQESA-N 437.580 5.148 0 40 IKAB CC(C)C(=O)N1CCCCCCCN(C(=O)Cc2ccc(Cl)cc2)Cc2ccccc21 2037883981 LRTDMTQTKATKNO-UHFFFAOYSA-N 441.015 5.864 0 40 IKAB Cc1ccccc1OCc1nnc(SCC(=O)Nc2ccc(F)cc2)n1-c1ccccc1 876616 KZVMWQDKCVTJHG-UHFFFAOYSA-N 448.523 5.025 0 40 IKAB C[C@@](O)(CS(=O)(=O)Cc1ccc(Cl)cc1Cl)c1ccc(Cl)c(Cl)c1 1388758 OCBWAOBMYRODIL-MRXNPFEDSA-N 428.164 5.123 0 40 IKAB Cc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccc(C)cc4o3)ccc2Cl)c(C)c1 1847845 NLPCOXCXIWYBAE-UHFFFAOYSA-N 449.963 6.200 0 40 IKAB Cc1sc2nc(SCC(=O)c3ccccc3)n(-c3cccc(Cl)c3)c(=O)c2c1C 2074305 ZQPLZGXBUMRENI-UHFFFAOYSA-N 440.977 5.692 0 40 IKAB Cc1cc2c(cc1C)-c1c(ss/c1=N\c1ccc(-c3ccccc3)cc1)C(C)(C)N2 2261497 XDWGSRQPKPGZCB-RFBIWTDZSA-N 428.626 7.653 0 40 IKAB CCC(CC)C(=O)N1c2ccccc2[C@H](N(C(=O)C(CC)CC)c2ccccc2)C[C@H]1C 2313880 DWSBHSMKMDMHMO-FQRUVTKNSA-N 434.624 6.759 0 40 IKAB COc1ccccc1-c1c(C)nc(N)nc1-c1ccc(OCc2ccc(Cl)cc2)cc1O 2339265 STZSELGIPNUQOC-UHFFFAOYSA-N 447.922 5.648 0 40 IKAB biogenic COc1cccc(C(=O)Oc2ccc3c(=O)c(-c4ccccc4)c(C(F)(F)F)oc3c2)c1 2449122 AQSPCSWKMVLPNQ-UHFFFAOYSA-N 440.373 5.707 0 40 IKAB biogenic COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2Nc2cccc(C)c2C)c1C 2618175 YXGWATJNRLNGIV-SFHVURJKSA-N 448.519 5.207 0 40 IKAB O=C(/C=C/c1ccc(Br)o1)Nc1nc(-c2ccco2)c(-c2ccco2)s1 2663181 PQLOYYHFPOZPRN-SOFGYWHQSA-N 431.267 5.671 0 40 IKAB Cc1cc(C)cc(NC(=O)COc2cccc3c2CCN(Cc2ccc(Cl)cc2)C3=O)c1 2716471 KDVCWAWYXRVAQF-UHFFFAOYSA-N 448.950 5.173 0 40 IKAB COc1ccc(-c2cc(C(=O)OCc3ccc(Cl)cc3Cl)c3ccccc3n2)cc1 2751291 RVIODIAOGRTXPC-UHFFFAOYSA-N 438.310 6.574 0 40 IKAB CCOc1ccc(Nc2nc3cc(C)ccc3nc2NS(=O)(=O)c2ccc(C)cc2)cc1 3116031 DBXGCOVTUVEWFR-UHFFFAOYSA-N 448.548 5.190 0 40 IKAB CCCCNC(=O)CSc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 3664019 QHTTWHGOPBDWDW-UHFFFAOYSA-N 433.986 5.210 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]4CC(c5ccccc5)=C(C(C)=O)[C@@]4(C)CC[C@H]32)C1 4025726 WAVPHEOFLPWMCI-JRTYBQPKSA-N 432.604 6.534 0 40 IKAB biogenic CC(C)[C@@H](CCNC(=O)C[C@]1(c2ccc(Cl)cc2)CCOC(C)(C)C1)c1ccco1 5398427 LFWUOLPEABZMPN-PXDATVDWSA-N 432.004 6.096 0 40 IKAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C\c1cccc(OCc2ccccc2Cl)c1 8431916 UWRVJMPSNRKUTM-MYYYXRDXSA-N 439.898 6.417 0 40 IKAB O=C(Nc1cccc(NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)c1)c1ccco1 8443304 GQFTWPCQJSEWRQ-UHFFFAOYSA-N 441.270 6.351 0 40 IKAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3cc(C)ccc3C)CC2=O)c1 8657344 WNLOVFKNUZDYTH-NRFANRHFSA-N 425.532 5.231 0 40 IKAB O=c1/c(=C/c2cccc(OCc3cccc4ccccc34)c2)sc2nc3ccccc3n12 8694916 MXOTWQKNPFGXII-XYGWBWBKSA-N 434.520 5.189 0 40 IKAB C[C@@H](c1ccccc1)n1c([C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)nc2ccccc21 8752873 CGIPRDFXZVBGCA-PKOBYXMFSA-N 449.476 6.185 0 40 IKAB COc1ccc([C@@H](CC(=O)c2ccc(C(C)(C)C)cc2)Nc2ccc(F)cc2)cc1OC 8783004 UZKKISHLGSPWQX-HSZRJFAPSA-N 435.539 6.567 0 40 IKAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Br)cc1)N(c1ccccn1)C3=O 8827481 ZPUYSDFEWPWSAY-FQEVSTJZSA-N 447.288 5.009 0 40 IKAB COC(=O)c1ccccc1Sc1nc2ccccc2cc1-c1cccc(C(F)(F)F)c1 8855495 QCSCGIRPMUVNGF-UHFFFAOYSA-N 439.458 6.858 0 40 IKAB CCc1ccccc1NC(=O)COc1ccc2c(=O)c(-c3ccc(Cl)cc3)c(C)oc2c1 8992639 QCEQBFPLPPYZEM-UHFFFAOYSA-N 447.918 6.002 0 40 IKAB COc1ccc(CSc2nnc(SCC(=O)Nc3cccc(C)c3C)s2)cc1 9218994 FXEBUJVHEJBLGY-UHFFFAOYSA-N 431.608 5.187 0 40 IKAB Cc1cc(C)c(C(=O)Nc2ccccc2)c(SCC(=O)Nc2nc3ccccc3s2)n1 9250041 OVYJRHFOJNYHDS-UHFFFAOYSA-N 448.573 5.291 0 40 IKAB C[C@@H]1C[C@H](Sc2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccccc2)C(=O)O1 9255909 LBNNTEYWLDZNQJ-PXAZEXFGSA-N 434.348 5.096 0 40 IKAB O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1ccc2ccccc2c1 9446204 KCISYEHMIHFFQE-UHFFFAOYSA-N 440.593 7.309 0 40 IKAB COCCn1c(S[C@H](C(=O)Nc2cc(C)ccc2C)c2ccccc2)nc2ccccc21 9467823 QNTMCOJFNBYQGQ-DEOSSOPVSA-N 445.588 5.772 0 40 IKAB CCOC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1cccc(Oc2ccccc2)c1 9546534 IVWRBEYZLGSBLA-DEOSSOPVSA-N 425.488 5.681 0 40 IKAB O=C(CSC1=NC2(CCCC2)N=C1c1ccccc1)Nc1cc(Cl)cc(Cl)c1 9599181 KXLCYLIWYWUMCN-UHFFFAOYSA-N 432.376 5.837 0 40 IKAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1ccccc1C(=O)Cc1ccccc1 9614290 KUHSQJPFNXXUNO-UHFFFAOYSA-N 433.507 6.378 0 40 IKAB COc1cc2c(cc1/C=C/C(=O)N1CCC(c3nc4ccccc4s3)CC1)O[C@@H](C)C2 9664138 FTYNJDSXUGPTMV-WAVCKPEOSA-N 434.561 5.048 0 40 IKAB COc1ccc(-c2[nH]c3ccccc3c2CCC(=O)N[C@H]2CCOc3ccccc32)cc1 9744199 VOSFZVBIBKCUQO-DEOSSOPVSA-N 426.516 5.416 0 40 IKAB C[C@H](c1ccncc1)n1nccc1NC(=O)c1cccnc1Sc1ccccc1Cl 9956729 JQYIFRBUTKTEKC-OAHLLOKOSA-N 435.940 5.339 0 40 IKAB CCOc1ccc2oc(C(=O)NC[C@@H](C)c3nc4ccccc4n3C(F)F)c(C)c2c1 10637837 DUVDBPCNIYUPGU-CYBMUJFWSA-N 427.451 5.418 0 40 IKAB COc1ccc(Oc2cc(NC(=O)Cc3csc(-c4ccccc4)n3)ccc2OC)cc1 11293999 OJFWUFZGKSECMZ-UHFFFAOYSA-N 446.528 5.801 0 40 IKAB CCOC(=O)[C@H](Sc1cc(C(F)(F)F)c2cc3c(cc2n1)OCO3)c1ccccc1 12139528 VAEJNZPMIWJVFA-LJQANCHMSA-N 435.423 5.379 0 40 IKAB COc1cccc(C(=O)N(Cc2ccc(C)cc2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)c1 12644485 JQMMLILWLGYUST-UHFFFAOYSA-N 440.543 5.305 0 40 IKAB O=c1[nH]c(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)nc2ccccc12 13021036 NBDPVIWEUPGIJG-UHFFFAOYSA-N 435.528 5.118 0 40 IKAB O=C(NCc1ccc(NC(=O)c2ccco2)cc1)N[C@@H](c1ccccc1)c1cccs1 13021145 CFHFDRSNDWIQQR-QFIPXVFZSA-N 431.517 5.182 0 40 IKAB Cc1ccc2c(Cl)cc(Cl)c(OCC(=O)Nc3ccccc3-c3ccccc3)c2n1 13148974 VOQOMFXXTSSGJL-UHFFFAOYSA-N 437.326 6.535 0 40 IKAB CCOc1ccc([C@@H]2Oc3ccccc3[C@H]3CC(c4ccc(OC)cc4OC)=NN23)cc1 13303754 GDKBUQQZRLFZJM-BVAGGSTKSA-N 430.504 5.345 0 40 IKAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SCc2ccc(Cl)c(Cl)c2)o1 13511818 OTNJZKCUWMEFEG-NHYWBVRUSA-N 446.400 6.281 0 40 IKAB O=C(NCCSCc1c(F)cccc1Cl)c1ccccc1OCc1ccccc1 13687167 YZHWKXJWIAUJAX-UHFFFAOYSA-N 429.944 5.721 0 40 IKAB CCn1c(SCC(=O)Nc2cc(C)ccc2C)nnc1[C@H](C)Oc1ccccc1Cl 13870837 NSHIRLANGGSRPM-INIZCTEOSA-N 444.988 5.439 0 40 IKAB COc1ccc(C(=O)[C@H]2Oc3ccc(Cl)cc3[C@@H]3CC(c4ccc(OC)cc4)=NN32)cc1 15227326 YYVKVFVTWZCTOS-WIOPSUGQSA-N 448.906 5.110 0 40 IKAB CC[C@H](C)Oc1ccc(C(=O)Nc2cccc(-c3nc4cc([C@H](C)CC)ccc4o3)c2)cc1 16610833 OUAGCOJMGMIIIM-MOPGFXCFSA-N 442.559 7.438 0 40 IKAB CCOc1ccc(NC(=O)c2c(N)n(C(=O)c3ccc(Cl)cc3)c3ccccc23)cc1 16806929 JZGGGSFMVZCUOP-UHFFFAOYSA-N 433.895 5.216 0 40 IKAB CC[C@@H](C)Oc1ccc(C(=O)NC(=S)Nc2nc(-c3ccc(OC)cc3)cs2)cc1 16973318 LBIIKQOOEWBEOF-CQSZACIVSA-N 441.578 5.123 0 40 IKAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)c2ccc(-c3cccc(Cl)c3)o2)cc1 17097221 WJWAXMLGAUUWOD-UHFFFAOYSA-N 430.891 6.034 0 40 IKAB CC[C@H](C)c1ccc(O)c(NC(=S)NC(=O)c2cccc(OCc3ccccc3)c2)c1 17099078 MMIGQYIGGHHAQM-KRWDZBQOSA-N 434.561 5.612 0 40 IKAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3cc4ccccc4oc3=O)c(C)c2)c1 19636330 HPQMXENOWQDORY-UHFFFAOYSA-N 442.540 5.512 0 40 IKAB Cc1nc([C@H]2CCCN2C2CCCCCC2)nc2c1CCC(=O)N2Cc1ccc(F)cc1 19743189 FEPQCMIMYDZVBY-HSZRJFAPSA-N 436.575 5.263 0 40 IKAB CCOc1ccc(CN2CCCC[C@@H]2c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)cc1 19765049 JAFKUPOPCQLJBO-XMMPIXPASA-N 448.542 5.302 0 40 IKAB COc1ccc(S(=O)(=O)Nc2cccc(NC(=O)c3ccc(C(C)(C)C)cc3)c2)cc1 20456525 XEZJFZRRNUYLDR-UHFFFAOYSA-N 438.549 5.046 0 40 IKAB CCOc1ccc(NC(=O)C2=C(C)Nc3nc4ccccc4n3[C@H]2c2cccc(C)c2)cc1 20970369 FDCJUMKVODWMHX-VWLOTQADSA-N 438.531 5.671 0 40 IKAB C[C@@H]1C[C@@H](C)CN([C@@H](c2ccccc2Cl)c2sc3nc(-c4ccco4)nn3c2O)C1 22851856 NSDJYQKFIXYEHY-LBTNJELSSA-N 442.972 5.477 0 40 IKAB O=C(NC1CCCCC1)c1c(-c2ccccc2)c2c3n(c(-c4ccccc4)cn13)CCCC2 27526120 ZTKSCBVGYHEOLC-UHFFFAOYSA-N 437.587 6.474 0 40 IKAB Cc1c(C(=O)NC[C@H](c2ccccc2Cl)c2c[nH]c3ccccc23)oc2ccc(F)cc12 27795771 WBJWLEDQJIILOC-HXUWFJFHSA-N 446.909 6.577 0 40 IKAB COC(=O)CCCCCNC(=O)c1sc2cccc(F)c2c1COc1ccccc1 32759912 TWOJTCDGNXYRLV-UHFFFAOYSA-N 429.513 5.083 0 40 IKAB CC(C)Cc1ccc(-c2ccc(SCc3nc(-c4ccc5c(c4)OCO5)no3)nn2)cc1 33022213 HLGRGMYMMCQUKR-UHFFFAOYSA-N 446.532 5.413 0 40 IKAB COC(=O)[C@]12CCC(C)(C)C[C@H]1C1=CC[C@@H]3[C@@]4(C)CCC(=O)N[C@@H]4CC[C@@]3(C)[C@]1(C)CC2 38290197 NACWCFADSOSVKU-HAWBCONWSA-N 441.656 5.804 0 40 IKAB COc1ccc(-c2cnc(SCC(=O)N3CCCCC3)n2-c2cccc(Cl)c2)cc1 44087256 ZEXGCPNRSUOTJR-UHFFFAOYSA-N 441.984 5.306 0 40 IKAB Cc1ccc(C2=NN(C(=O)CN(C)Cc3nc4ccccc4s3)[C@H](c3ccco3)C2)cc1 57286261 PDSBRAFSHZLKQQ-NRFANRHFSA-N 444.560 5.007 0 40 IKAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1nc(Cl)c(Cl)c(Cl)c1Cl 58009844 ZJGAUEVFZTVEGH-UHFFFAOYSA-N 436.122 5.129 0 40 IKAB COc1ccc(C(=O)N(Cc2ccc(C(=O)NC3CC3)cc2)C2CC2)cc1-c1ccccc1 69950213 UHDRBGNGKDIRPN-UHFFFAOYSA-N 440.543 5.059 0 40 IKAB CCCN(C(=O)OC(C)(C)C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72214718 WQURNAZZIVQIGF-UHFFFAOYSA-N 435.565 5.111 0 40 IKAB CCCN(C(=O)Cc1ccc(OC(F)F)cc1)[C@@H](c1cccnc1)c1ccc(F)c(C)c1 72300889 UHIIJCQKHPXYPQ-XMMPIXPASA-N 442.481 5.701 0 40 IKAB COc1ccc(CNc2c(C)c(C3CC3)nn2-c2ccccc2)cc1OCc1cccnc1 89556303 FFSXTERHAQFWQC-UHFFFAOYSA-N 440.547 5.653 0 40 IKAB O=C(O)c1cccc(-c2cc(-c3cccc(C(=O)O)c3)cc(-c3cccc(C(=O)O)c3)c2)c1 90686595 SXGSTTJNKYIOOF-UHFFFAOYSA-N 438.435 5.782 0 40 IKAB COc1cccc(NC(=O)c2cnc(-c3noc4cc(N5CCCCC5)ccc34)s2)c1 96154628 SAXSMTPEMCGHGZ-UHFFFAOYSA-N 434.521 5.203 0 40 IKAB CCc1ccccc1NC(=O)c1ccccc1SCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 104750257 MHLLKEHGHYRKTM-RQIDZSJNSA-N 436.621 5.534 0 40 IKAB CCO[C@@H]1C[C@@H](O)C12CCN([C@H](C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)CC2 106916156 MCJLBIKREMNEHK-CSMYWGQOSA-N 425.413 5.037 0 40 IKAB COc1cc(CNc2ccc(Br)cc2)cc(Cl)c1OCc1ccc(C)cc1 106982476 WLLDZLTZSHWBOY-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB COc1cc(CNc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1 107030610 FKIKPGNQXKSXDD-UHFFFAOYSA-N 446.772 6.611 0 40 IKAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(-c2nc(-c3ccccc3)c3ccccc3n2)cc1 137017591 ZDJFZHOFQVDGPA-OTLGMJNYSA-N 443.506 5.275 0 40 IKAB CC(C)(C)c1ccc(C(=O)Nc2cccc(NS(=O)(=O)Cc3ccccc3F)c2)cc1 216305074 DHVOLZPORPAUQD-UHFFFAOYSA-N 440.540 5.317 0 40 IKAB COC(=O)c1cc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)ccc1Cl 219839811 VBTJHIGNHRVTOM-UHFFFAOYSA-N 430.287 5.611 0 40 IKAB Cc1ccccc1CN(C(=O)CCSc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222678150 AKWNZQLWEHNHSM-SFHVURJKSA-N 447.044 5.463 0 40 IKAB COc1ccc(-c2ncc(C(=O)Nc3ccccc3Sc3ccccc3)c(C)n2)cc1 223145794 DOCKYYIZSARHDI-UHFFFAOYSA-N 427.529 5.864 0 40 IKAB CC[C@@H](C(=O)NC(C)(C)C)N(Cc1cccc(C)c1)C(=O)CCc1ccccc1Cl 223263663 BHZOLBPEQQONIS-QFIPXVFZSA-N 429.004 5.303 0 40 IKAB Cc1cc(-n2cccc2[C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccco2)ccc1Cl 223359485 RSTUTVRWUDZHMZ-XZOQPEGZSA-N 448.979 5.600 0 40 IKAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2Cc2ccccn2)c(C)n1C1CCCCC1 223532751 OCTBWEPBFYQJCR-LOSJGSFVSA-N 445.636 5.573 0 40 IKAB CC[C@H](NC(=O)c1cccc(S(=O)(=O)Nc2ccccc2C)c1)c1ccc(C)c(C)c1 223945072 UJMGLRLJLOZBMR-QHCPKHFHSA-N 436.577 5.294 0 40 IKAB CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCc1ccc(CC)cc1 223957602 YZWFJTKSTFAKAD-MRXNPFEDSA-N 435.395 5.042 0 40 IKAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 223974762 SPYVKAUQXNXTPU-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCCSCc1c(Cl)cccc1Cl 224453647 YIXUZGYNCBWXQL-OAHLLOKOSA-N 438.420 5.689 0 40 IKAB COc1ccccc1N1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(F)cc2)o1 224580439 XHHPCBPFODFXAB-BJKOFHAPSA-N 445.519 5.666 0 40 IKAB Cc1ccc(Oc2ccc(N3C(=S)N[C@@H](c4ccccn4)[C@H]3c3ccc(C)o3)cc2)cc1 224692216 VPXCYDXQQMPJND-LOSJGSFVSA-N 441.556 6.261 0 40 IKAB COc1ccc(CCC(=O)NCc2cccnc2-c2ccco2)cc1OCc1ccccc1 225660816 WGMJNPRDKNAEGA-UHFFFAOYSA-N 442.515 5.178 0 40 IKAB Cc1cccc(Cc2cncc([C@H]3CCCN3Cc3cccc(OC[C@H]4CCCO4)c3)n2)c1 257232874 GMUOGKSIRYFORM-IXCJQBJRSA-N 443.591 5.271 0 40 IKAB CC(C)Oc1ccc([C@H]2CN(C(=O)C3(c4ccccc4)CCCCC3)[C@@H]3CCNC[C@H]23)cc1 257236168 HBAZJNYVAFXWEX-ZONZVBGPSA-N 446.635 5.280 0 40 IKAB CC(C)NC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCN(Cc2cccc(F)c2)CC1 257288918 PWFRPDCTMGRKLX-UHFFFAOYSA-N 445.582 5.237 0 40 IKAB CCNC(=O)C1(Cc2cccc(-c3ccccc3)c2)CCN(C(=O)c2csc(C)c2)CC1 257327775 XCQLMJMGNYDWLH-UHFFFAOYSA-N 446.616 5.325 0 40 IKAB CC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@@H]3CC[C@@H]2[C@H](C)CCCC(C)C)C1 263583746 XUGISPSHIFXEHZ-DBJFJROYSA-N 428.701 7.960 0 40 IKAB O=C(Nc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1)c1ccc(Br)cc1 408673444 SFKQMKYCIVBLCO-UHFFFAOYSA-N 429.701 5.607 0 40 IKAB Cc1ccccc1NC(=O)c1nc(-c2cccc(Cl)c2)n(-c2cc(Cl)ccc2C)n1 408699026 QYMKPODDTQXEOB-UHFFFAOYSA-N 437.330 6.110 0 40 IKAB O=C1OC(c2sc3cc(Br)ccc3c2Cl)=N/C1=C/C=C/c1ccccc1 408841347 GKJUGMGMKIERDO-DUEVJXGLSA-N 444.737 6.218 0 40 IKAB Cc1ccc(NCc2cc(Cl)c(OCc3cccc4ccccc34)c(Cl)c2)cc1C 409113727 DZMNTLLGNRLJDS-UHFFFAOYSA-N 436.382 7.955 0 40 IKAB O=C(CN1C(=O)S/C(=C\c2ccc(C(F)(F)F)cc2)C1=O)Nc1ccc(Cl)cc1 409166661 DTPRZUBZARQYMH-DHDCSXOGSA-N 440.830 5.034 0 40 IKAB CCCOc1c(Br)cc(C(=O)Nc2cc(Cl)ccc2Cl)cc1OCC 409369287 AMOYNHFZRRTLEQ-UHFFFAOYSA-N 447.156 6.196 0 40 IKAB O=C(O)c1ccc(-c2ccc(Cl)cc2OCc2ccccc2)nc1COc1ccccc1 585265941 VENHDPARYRLUPD-UHFFFAOYSA-N 445.902 6.258 0 40 IKAB CC(C)CCN1CCCCCCCN(C(=O)c2cccnc2)c2ccc(C(=O)O)cc2C1 643584851 VHOBGVFYARHVKD-UHFFFAOYSA-N 437.584 5.239 0 40 IKAB O=C(c1cnc2ccccc2n1)N1CCCCCOc2ccccc2Oc2ncccc2C1 643588700 HEXOLHWHYGJHHZ-UHFFFAOYSA-N 440.503 5.022 0 40 IKAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)(c1ccccc1)c1ccccc1 624057 HYDXJBNIGQBHPW-UHFFFAOYSA-N 440.499 5.485 0 40 IKAB COc1ccccc1C(=O)Oc1ccc(OC(=O)c2ccccc2OC)c(C(C)(C)C)c1 682511 LZAQXNUPPBQZHT-UHFFFAOYSA-N 434.488 5.440 0 40 IKAB O=C(Nc1ccc2oc(-c3cccc(Cl)c3)nc2c1)c1cccc(Br)c1 809023 AFSQQSRLJNOBHU-UHFFFAOYSA-N 427.685 6.163 0 40 IKAB CN(C(=S)Oc1ccc(C(=O)Nc2ccccc2Br)cc1)c1ccccc1 819701 HPYCJTKXIFCNRB-UHFFFAOYSA-N 441.350 5.502 0 40 IKAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccc(C4CCCCC4)cc3)C2)cc1 1361895 IKAQHNHXTMJDPK-QFIPXVFZSA-N 440.609 5.082 0 40 IKAB CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)CCCOc1cc(C)ccc1C 1779138 SRSGXDJFAOXNBB-UHFFFAOYSA-N 437.561 6.006 0 40 IKAB CCOc1ccc(Br)cc1/C=C/C(=O)Nc1nc(-c2ccccc2)c(C)s1 1782440 MQRMLVHPFIBWMC-FMIVXFBMSA-N 443.366 5.932 0 40 IKAB COc1ccc(CSc2nnc(-c3ccc(OC)cc3)n2-c2ccc(Cl)cc2)cc1 2394188 TXOUSHXMHXHOCA-UHFFFAOYSA-N 437.952 5.897 0 40 IKAB COc1ccc(-c2c(C)oc3cc(OCc4c(Cl)cccc4Cl)ccc3c2=O)cc1 2423510 JWPGPJLOQPJWSZ-UHFFFAOYSA-N 441.310 6.663 0 40 IKAB biogenic O=C(NCCCCNC(=O)c1ccc(-c2ccccc2)cc1)c1ccc(-c2ccccc2)cc1 3144509 BBTXZWNNDDRBHI-UHFFFAOYSA-N 448.566 5.961 0 40 IKAB C[C@H](c1ccccc1)P(C(Cl)(Cl)Cl)C(Cl)(Cl)Cc1ccccc1 3202697 QKXQMVQWHWXJSU-JHQYKTOJSA-N 428.554 7.931 0 40 IKAB CCn1c2ccccc2c2cc(NC(=O)COc3cc(Cl)c(Cl)cc3Cl)ccc21 3257404 RDAVTXBYOZRFAG-UHFFFAOYSA-N 447.749 6.792 0 40 IKAB O=C(N[C@@H]1CCCc2ccccc21)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 3274939 RISMVFFYCNKYBO-XMMPIXPASA-N 427.935 6.000 0 40 IKAB O=C(Nc1ccccc1)c1ccccc1NC(=O)c1cc(-c2cccs2)nc2ccccc12 3282467 MRXILRIANMJFKW-UHFFFAOYSA-N 449.535 6.468 0 40 IKAB CCn1c(-c2ccccc2)c(C(=O)COC(=O)C2C[C@@H]3CCC[C@@H](C2)C3=O)c2ccccc21 3335400 NMWMEYRQVFHDQH-PMACEKPBSA-N 443.543 5.450 0 40 IKAB Cc1ccc(S(=O)(=O)c2nc(-c3ccc(Cl)cc3)oc2NCc2ccncc2)cc1 6131614 HHTQXYLIYSQSMM-UHFFFAOYSA-N 439.924 5.143 0 40 IKAB O=C(CSc1ccc2ccccc2n1)Nc1cccc(-c2nc3ccccc3s2)c1 6159016 DGFMSDRBSBGCJT-UHFFFAOYSA-N 427.554 6.242 0 40 IKAB Nc1c(C(=O)C23CC4CC(CC(C4)C2)C3)sc2nc3c(c(-c4cccnc4)c12)CCCC3 8448690 AKPNKHHESZAFSK-UHFFFAOYSA-N 443.616 6.218 0 40 IKAB CC(C)c1ccc(Nc2nnc(S[C@H](C)c3nnc(-c4cccs4)o3)s2)cc1 8710623 JQVXMVRYJRMYAS-GFCCVEGCSA-N 429.596 6.370 0 40 IKAB Cc1c(CCC(=O)NCc2cccnc2)c(=O)oc2cc3occ(-c4ccccc4)c3cc12 8792044 MJDDCDLGDNWBMK-UHFFFAOYSA-N 438.483 5.159 0 40 IKAB biogenic C[C@@H](Sc1nnc(Cc2cccs2)n1C1CC1)c1nnc(-c2cccc(Cl)c2)o1 8924536 QAEIDRSQWZEQBG-GFCCVEGCSA-N 443.985 5.822 0 40 IKAB CCCCOc1ccc(C2=NN3[C@@H](C2)c2ccccc2O[C@@H]3c2ccc(OC)cc2)cc1 9397123 GQZDRMWOMQJXQC-AHKZPQOWSA-N 428.532 6.116 0 40 IKAB CCC(CC)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1ccc(OCc2ccccc2)cc1 9432018 QMJRTPPXTJGYJS-JOCHJYFZSA-N 437.565 5.541 0 40 IKAB Cc1nn2c(Nc3ccc(Cl)cc3)cc(C(C)(C)C)nc2c1-c1ccc(Cl)cc1 9487457 ZZTVSSUOAXFSLD-UHFFFAOYSA-N 425.363 7.053 0 40 IKAB CCc1ccc(-c2noc(CSc3nc(-c4ccccc4Br)n[nH]3)n2)cc1 9516356 GIWSHCUJEUXDNQ-UHFFFAOYSA-N 442.342 5.139 0 40 IKAB COC(=O)c1c(SCc2ccccc2C)nc2ccccc2c1OCc1cccc(F)c1 9640193 MYFSMCXPEFNVRV-UHFFFAOYSA-N 447.531 6.340 0 40 IKAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2nnc(-c3ccccc3)c3ccccc23)c1 9789409 GBZLYXIPDRBPTM-KRWDZBQOSA-N 427.529 5.619 0 40 IKAB CCc1ccc2c(c1)c(=O)c(C(=O)c1ccc(C)cc1)cn2CC(=O)Nc1ccc(C)cc1 9855891 PREFNSDTHKGAMB-UHFFFAOYSA-N 438.527 5.050 0 40 IKAB O=C(CSc1nc2ccccc2n1-c1ccccc1)Nc1ccccc1Br 12312099 QATHMHCQHJYGTI-UHFFFAOYSA-N 438.350 5.519 0 40 IKAB O=C(NC1CCCCC1)[C@@H](c1ccco1)N(Cc1ccc(Cl)cc1)C(=O)C(F)(F)F 12490697 NXGNUQBTMGTMDH-GOSISDBHSA-N 442.865 5.014 0 40 IKAB CCCc1noc([C@H](C)Sc2nnc(-c3ccccc3OC)n2-c2ccc(C)cc2)n1 12528099 PQURNELFEGWZMD-INIZCTEOSA-N 435.553 5.440 0 40 IKAB O=C(Cc1csc(-c2cccc(Cl)c2)n1)Nc1cccc(Cl)c1N1CCOCC1 12590973 HWGBJFHNRJCIRS-UHFFFAOYSA-N 448.375 5.135 0 40 IKAB CCCCc1ccc(-c2csc(NC(=O)CCc3nnc(-c4ccsc4)o3)n2)cc1 12743052 IKDFJDAIFYMLNU-UHFFFAOYSA-N 438.578 5.836 0 40 IKAB CN(C)[C@@H](CNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1)c1ccccc1Cl 12767486 RASFWNVRQFUTMP-IBGZPJMESA-N 432.351 5.000 0 40 IKAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 12866371 RNAAALVEBWAZFT-UHFFFAOYSA-N 438.314 5.983 0 40 IKAB CCN(CC)[C@@H](CNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1C)c1ccccc1 12900993 ORHYIZVMEWGFDI-QHCPKHFHSA-N 439.003 5.015 0 40 IKAB CCn1c(S[C@@H](C)c2nc3scc(-c4cccs4)c3c(=O)[nH]2)nnc1C1CC1 12907248 ONVRUVJWPAOMJM-JTQLQIEISA-N 429.596 5.055 0 40 IKAB Cc1ccc(-c2csc3ncn(CCC(=O)N(C)[C@@H](C)c4ccccc4)c(=O)c23)cc1 12988666 NYHFSJNGKGKRDV-SFHVURJKSA-N 431.561 5.043 0 40 IKAB COCc1c(C(=O)Oc2ccccc2-c2nc3ccccc3s2)sc2cccc(F)c12 13098599 FFCKUIYOBWWKTD-UHFFFAOYSA-N 449.528 6.683 0 40 IKAB COc1ccc(-c2csc3ncnc(N[C@@H](C)c4ccc(Cl)cc4Cl)c23)cc1 13102772 DMZZPCSIWFABOE-LBPRGKRZSA-N 430.360 6.847 0 40 IKAB COc1cccc([C@@H](C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2ccccc2)c1 13498006 AJOZMHFKSTYTKY-VWLOTQADSA-N 448.588 5.133 0 40 IKAB COc1c(C(=O)NC(=S)Nc2ccc(Cl)cc2)cc2ccccc2c1Br 14270004 LKCICGCWJJOZOA-UHFFFAOYSA-N 449.757 5.391 0 40 IKAB Cc1ccc(CC(=O)Nc2ccc(NS(=O)(=O)c3c(Cl)cccc3Cl)cc2)cc1 14939165 VQTUNUKMVXOJJL-UHFFFAOYSA-N 449.359 5.284 0 40 IKAB Cc1nc2cc(NC(=O)C[C@H](NC(=O)c3ccccc3Cl)c3ccccc3)ccc2o1 15567574 IHKQVVDEFLXFQJ-FQEVSTJZSA-N 433.895 5.290 0 40 IKAB COc1cccc2sc(N3CCN(C(=O)c4ccccc4Oc4ccccc4)CC3)nc12 15882408 JTUIXMROAFNYFC-UHFFFAOYSA-N 445.544 5.060 0 40 IKAB C[C@@H](CCc1ccccc1)n1c(-c2cc3ccccc3o2)cs/c1=N\c1ccccc1F 15914038 XPTOUEKKUWGQRO-YPIVJWOASA-N 442.559 7.528 0 40 IKAB c1ccc(CC2(Cc3ccccc3)OC[C@@H](Cn3c4ccccc4c4ccccc43)O2)cc1 16478809 UDSYRVMIARHTTK-RUZDIDTESA-N 433.551 6.392 0 40 IKAB O=S(=O)(Nc1ccc2oc(-c3ccc(Br)cc3)nc2c1)c1ccccc1 16491540 SUTKQWRNOIGWKC-UHFFFAOYSA-N 429.295 5.058 0 40 IKAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccc3oc(-c4ccc(OC)c(OC)c4)nc3c2)c1 20412014 TYCZLZNOLLWZPA-MRXNPFEDSA-N 446.503 5.942 0 40 IKAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1cccc(C(=O)c2ccc(C(C)(C)C)cc2)c1 20456359 KMQRAWXNXQJFPH-KRWDZBQOSA-N 435.951 6.275 0 40 IKAB CCOc1ccc(CCCNC(=O)CSCc2ccc(Cl)c(Cl)c2)cc1OC 20493117 ROEUWVHSXBZICF-UHFFFAOYSA-N 442.408 5.383 0 40 IKAB O=C1C[C@@H](c2ccc(F)cc2)Cc2nc3nc(SCc4cccc(Cl)c4)nn3cc21 20671474 NGCLLFBWYDHLEG-HNNXBMFYSA-N 438.915 5.122 0 40 IKAB CC(C)CC(=O)Nc1cccc(NC(=S)NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 21596118 GOZBLFCUCGZSQM-WYMLVPIESA-N 447.560 5.458 0 40 IKAB CCOc1cc([C@@H]2NC[C@H](c3ccccc3)c3c2[nH]c2ccccc32)ccc1OCC(C)C 25719470 OTJQJEUYFTUZQO-LXFBAYGMSA-N 440.587 6.426 0 40 IKAB Cc1ccc(Sc2nc3ccc(C)cc3cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1 27572992 OHQGNJRZJCZOQG-LFVJCYFKSA-N 436.536 6.347 0 40 IKAB Cc1noc(C)c1CSc1ncccc1C(=O)N[C@H](C)c1ccc(-c2ccccc2)cc1 32719607 UWXQENCRPNXEMR-QGZVFWFLSA-N 443.572 6.137 0 40 IKAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)c1nnc(SCc2ccc(Cl)cc2)n1C 33716509 FXOIBKAUDLHGQV-SFHVURJKSA-N 449.407 5.541 0 40 IKAB C=C1CC[C@@H](O)C/C1=C/C=C1\CCC[C@@]2(C)[C@H]1CC[C@@H]2[C@H](C)/C=C/[C@@](C)(O)C(C)(C)O 33953863 BPEQZNMKGFTMQE-BJWACDMPSA-N 428.657 5.871 0 40 IKAB CC(=O)c1c(C)nn(C[C@@H](O)Cn2c3ccc(Cl)cc3c3cc(Cl)ccc32)c1C 36640159 ZZEWEECMZDPVRE-KRWDZBQOSA-N 430.335 5.178 0 40 IKAB CCCCc1ccc(NC(=O)Cn2cnc3c(-c4ccc(C)cc4)csc3c2=O)cc1 38651727 ATRUQSVPZYRMNA-UHFFFAOYSA-N 431.561 5.415 0 40 IKAB Cc1noc(CSc2ccc(C(=O)Nc3ccc(OC(F)F)c(Cl)c3)cc2)n1 40042994 BBWDJYNESIGFKM-UHFFFAOYSA-N 425.844 5.177 0 40 IKAB COc1cc(NC(=O)Nc2nc3c(s2)-c2cccc4cccc-3c24)cc(OC)c1OC 44224866 AYENZOZSRBLLJL-UHFFFAOYSA-N 433.489 5.614 0 40 IKAB Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3Cl)cc2)cc1 59132861 CPCKXAIFEYYSJJ-UHFFFAOYSA-N 435.332 5.355 0 40 IKAB O=C(Nc1ccc(Cl)cc1)c1cc2ccccc2o/c1=N\c1ccc(F)c(Cl)c1 67294544 UECALKPTANIPOP-QYQHSDTDSA-N 427.262 6.363 0 40 IKAB CN(C)C(=O)c1sc2ccccc2c1[C@@H]1CCN(C(=O)CCc2c[nH]c3ccccc23)C1 72352242 LBTVTQRJOFXEFG-GOSISDBHSA-N 445.588 5.033 0 40 IKAB CCCCCCOc1ccc(NC(=O)c2c(O)c3ccccc3n(CCCC)c2=O)cc1 100708207 OHQDOIIPACICAH-UHFFFAOYSA-N 436.552 5.719 0 40 IKAB C[C@H](NC(=O)c1cccc(Cl)c1)[C@H](c1cccs1)N1CCN(c2ccccc2)CC1 107784725 JRQZVLKOLGGCAH-FDDCHVKYSA-N 440.012 5.083 0 40 IKAB CCOc1ccc(NC(=O)CN2C(=O)S/C(=C/c3ccc(C(C)(C)C)cc3)C2=O)cc1 210816007 XJVCNEDQLYZLQX-XSFVSMFZSA-N 438.549 5.058 0 40 IKAB CCCCOC(=O)c1ccc(NC(=O)COc2ccc(Br)cc2Cl)cc1 218944105 MLMXKTIRJKFSIM-UHFFFAOYSA-N 440.721 5.077 0 40 IKAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc(Sc3ccccc3)o2)N1Cc1cccnc1 223473889 BKDPVDVHSIUSTJ-GOTSBHOMSA-N 444.585 5.394 0 40 IKAB CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)Cc1c(Cl)cccc1Cl 224154297 JSFSZGJIYMHMOP-QFIPXVFZSA-N 447.406 5.402 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccccc2C)cc1 224342973 BGIIDCVULVQBQS-CLJLJLNGSA-N 438.600 5.920 0 40 IKAB CCc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccc(F)cc2)cc1 224344020 MBIOHPRIEZCJME-RPBOFIJWSA-N 442.563 5.751 0 40 IKAB C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCc1ccccc1Cl 224672889 BVHIAKVHSVBQDQ-LJQANCHMSA-N 426.988 5.139 0 40 IKAB O=C(CSCc1ccc(Cl)cc1Cl)NCc1cccc(CN2CCCCC2)c1 224695856 KTBAJTAALWSMNK-UHFFFAOYSA-N 437.436 5.529 0 40 IKAB CCCSc1nnc(NC(=O)C2CCN(Cc3ccc(Cl)cc3Cl)CC2)s1 224882438 PHXRVIFHIRRPEF-UHFFFAOYSA-N 445.441 5.198 0 40 IKAB CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1Cl 224972506 ABULXCNEAFWOPF-QFIPXVFZSA-N 449.422 5.158 0 40 IKAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCCOc1ccc(Cl)cc1 225153336 VBVXKWRIJNYUSP-QHCPKHFHSA-N 445.003 5.141 0 40 IKAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2c2ccc(OC3CCCC3)cc2)c(C)[nH]1 225362646 XYIOFSDQWMLDOX-ZEQRLZLVSA-N 432.593 5.525 0 40 IKAB CC[C@H](C(=O)NC1CCCCC1)N(CCc1ccccc1)C(=O)Cc1ccc(Cl)cc1 225369562 DXYJQSPDVYIRHQ-XMMPIXPASA-N 441.015 5.181 0 40 IKAB O=C(CCc1ccc(Cl)cc1Cl)Nc1ccccc1C(=O)NCc1ccccc1 225370510 HJKZAIVMSGECFY-UHFFFAOYSA-N 427.331 5.495 0 40 IKAB CC(C)NC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCCSc1ccc(Cl)cc1 225474419 FBBCUGOKDMTIJP-SFHVURJKSA-N 433.017 5.154 0 40 IKAB CC(C)Oc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCCC2)c2ccccc12 225753012 JFYJLZCTFSTODE-UHFFFAOYSA-N 442.386 7.384 0 40 IKAB O=c1[nH]c2c(s1)[C@H](c1c(-c3ccccc3)[nH]c3ccccc13)[C@H]1[C@H]3CC[C@@H](C3)[C@@H]1S2 245241680 MOXDDWKSQCILQK-DWTCIZEZSA-N 430.598 6.237 0 40 IKAB CCN(C(=O)C(c1ccccc1)c1ccccc1)[C@H]1CCOC2(CCN(C(C)C)CC2)C1 257234840 GVHGVVMEKDJGJK-VWLOTQADSA-N 434.624 5.089 0 40 IKAB CCOc1ccc(NC(=O)c2nc(-c3ccc(Cl)cc3)n(-c3ccc(C)c(C)c3)n2)cc1 408695006 NXCLSRGZEKXAAU-UHFFFAOYSA-N 446.938 5.856 0 40 IKAB Cc1ccc(-n2nc(C(=O)Nc3cccc(C)c3)nc2-c2ccc(Br)cc2)cc1 408699055 REFBPWKILVVAKD-UHFFFAOYSA-N 447.336 5.566 0 40 IKAB O=C1N/C(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)C(=O)N1c1cccc(Cl)c1 409074243 YVNYVYINDVDOCP-LICLKQGHSA-N 433.678 6.004 0 40 IKAB CCc1ccc(-n2c(SCC(=O)N3[C@@H](C)CCC[C@@H]3C)nnc2-c2ccccc2)cc1 409093827 AOWDRLKLCZKCOC-OALUTQOASA-N 434.609 5.378 0 40 IKAB CCCc1sc2nc(SCc3ccc(C)cc3)n(-c3ccc(F)cc3)c(=O)c2c1C 409120073 UYAXDGGPVSNDOU-UHFFFAOYSA-N 438.593 6.448 0 40 IKAB COc1cc(-c2nc3ccccc3s2)ccc1OC(=O)c1ccc(Cl)cc1Cl 409261398 BOOFDXJMIMAUCF-UHFFFAOYSA-N 430.312 6.498 0 40 IKAB Cc1cccnc1CN1CCC[C@H]1c1csc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 585268809 YGSIPSPUDNMPPU-QFIPXVFZSA-N 434.609 5.733 0 40 IKAB